NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15998 | 1z8s | 6716 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 452 HT1 MET 452 -9.265 9.692 15.502 2 2H MET 452 HT2 MET 452 -8.901 8.325 14.530 3 3H MET 452 HT3 MET 452 -10.108 9.438 14.032 4 HA MET 452 HA MET 452 -7.310 10.212 14.444 5 1HB MET 452 HB2 MET 452 -8.681 9.055 12.016 6 2HB MET 452 HB1 MET 452 -7.203 10.002 11.906 7 1HG MET 452 HG2 MET 452 -6.064 8.134 12.211 8 2HG MET 452 HG1 MET 452 -6.688 8.084 13.859 9 1HE MET 452 HE1 MET 452 -7.490 4.623 13.738 10 2HE MET 452 HE2 MET 452 -8.534 5.780 14.564 11 3HE MET 452 HE3 MET 452 -6.793 6.054 14.495 12 H ALA 453 HN ALA 453 -9.111 11.870 15.370 13 HA ALA 453 HA ALA 453 -10.484 13.516 13.558 14 1HB ALA 453 HB1 ALA 453 -10.675 15.097 15.376 15 2HB ALA 453 HB2 ALA 453 -9.375 14.290 16.254 16 3HB ALA 453 HB3 ALA 453 -10.908 13.460 15.990 17 H LYS 454 HN LYS 454 -7.272 13.878 15.039 18 HA LYS 454 HA LYS 454 -6.700 16.046 13.139 19 1HB LYS 454 HB2 LYS 454 -4.780 16.558 14.646 20 2HB LYS 454 HB1 LYS 454 -6.350 16.712 15.422 21 1HG LYS 454 HG2 LYS 454 -5.914 15.093 16.903 22 2HG LYS 454 HG1 LYS 454 -5.134 14.066 15.699 23 1HD LYS 454 HD2 LYS 454 -3.364 14.587 17.086 24 2HD LYS 454 HD1 LYS 454 -3.220 15.832 15.843 25 1HE LYS 454 HE2 LYS 454 -3.965 17.501 17.237 26 2HE LYS 454 HE1 LYS 454 -4.874 16.388 18.258 27 1HZ LYS 454 HZ1 LYS 454 -2.398 15.539 18.700 28 2HZ LYS 454 HZ2 LYS 454 -3.147 16.730 19.638 29 3HZ LYS 454 HZ3 LYS 454 -2.082 17.174 18.401 30 H LYS 455 HN LYS 455 -6.708 13.561 12.021 31 HA LYS 455 HA LYS 455 -3.875 13.207 11.382 32 1HB LYS 455 HB2 LYS 455 -5.594 11.245 12.703 33 2HB LYS 455 HB1 LYS 455 -4.842 10.622 11.241 34 1HG LYS 455 HG2 LYS 455 -2.983 12.080 12.941 35 2HG LYS 455 HG1 LYS 455 -3.711 10.683 13.738 36 1HD LYS 455 HD2 LYS 455 -2.492 10.529 10.992 37 2HD LYS 455 HD1 LYS 455 -1.551 10.273 12.463 38 1HE LYS 455 HE2 LYS 455 -2.424 8.234 12.808 39 2HE LYS 455 HE1 LYS 455 -4.050 8.751 12.361 40 1HZ LYS 455 HZ1 LYS 455 -2.848 8.792 9.989 41 2HZ LYS 455 HZ2 LYS 455 -3.657 7.436 10.597 42 3HZ LYS 455 HZ3 LYS 455 -1.974 7.546 10.729 43 H LEU 456 HN LEU 456 -4.402 14.338 9.456 44 HA LEU 456 HA LEU 456 -6.439 13.609 7.673 45 1HB LEU 456 HB2 LEU 456 -4.293 15.464 7.747 46 2HB LEU 456 HB1 LEU 456 -4.186 14.602 6.225 47 HG LEU 456 HG LEU 456 -6.859 15.639 6.985 48 1HD1 LEU 456 HD11 LEU 456 -5.571 17.543 7.599 49 2HD1 LEU 456 HD12 LEU 456 -6.248 17.860 6.002 50 3HD1 LEU 456 HD13 LEU 456 -4.555 17.394 6.165 51 1HD2 LEU 456 HD21 LEU 456 -6.499 16.310 4.436 52 2HD2 LEU 456 HD22 LEU 456 -6.987 14.688 4.926 53 3HD2 LEU 456 HD23 LEU 456 -5.298 15.022 4.543 54 H LEU 457 HN LEU 457 -3.006 13.172 6.938 55 HA LEU 457 HA LEU 457 -3.253 10.364 6.464 56 1HB LEU 457 HB2 LEU 457 -2.494 10.819 3.959 57 2HB LEU 457 HB1 LEU 457 -4.178 10.637 4.410 58 HG LEU 457 HG LEU 457 -4.478 13.051 4.410 59 1HD1 LEU 457 HD11 LEU 457 -2.680 14.537 3.658 60 2HD1 LEU 457 HD12 LEU 457 -1.564 13.172 3.649 61 3HD1 LEU 457 HD13 LEU 457 -2.272 13.721 5.167 62 1HD2 LEU 457 HD21 LEU 457 -3.063 12.697 1.846 63 2HD2 LEU 457 HD22 LEU 457 -4.724 13.195 2.170 64 3HD2 LEU 457 HD23 LEU 457 -4.288 11.487 2.233 65 HA PRO 458 HA PRO 458 1.002 11.941 7.435 66 1HB PRO 458 HB2 PRO 458 1.595 9.853 9.096 67 2HB PRO 458 HB1 PRO 458 0.809 11.340 9.638 68 1HG PRO 458 HG2 PRO 458 -0.410 8.693 8.956 69 2HG PRO 458 HG1 PRO 458 -0.777 9.780 10.308 70 1HD PRO 458 HD2 PRO 458 -2.332 9.663 8.114 71 2HD PRO 458 HD1 PRO 458 -2.068 11.182 8.996 72 H ALA 459 HN ALA 459 -0.023 8.574 6.892 73 HA ALA 459 HA ALA 459 1.520 8.219 4.580 74 1HB ALA 459 HB1 ALA 459 3.247 6.658 5.490 75 2HB ALA 459 HB2 ALA 459 2.800 7.197 7.108 76 3HB ALA 459 HB3 ALA 459 3.471 8.345 5.950 77 H PHE 460 HN PHE 460 1.172 6.228 3.609 78 HA PHE 460 HA PHE 460 -0.970 4.654 4.808 79 1HB PHE 460 HB2 PHE 460 -0.287 5.435 2.150 80 2HB PHE 460 HB1 PHE 460 -0.262 3.677 2.222 81 HD1 PHE 460 HD1 PHE 460 -2.255 6.318 1.409 82 HD2 PHE 460 HD2 PHE 460 -2.353 2.773 3.761 83 HE1 PHE 460 HE1 PHE 460 -4.710 6.285 1.250 84 HE2 PHE 460 HE2 PHE 460 -4.808 2.733 3.606 85 HZ PHE 460 HZ PHE 460 -5.990 4.490 2.349 86 H GLN 461 HN GLN 461 1.301 4.254 6.182 87 HA GLN 461 HA GLN 461 3.120 2.358 5.368 88 1HB GLN 461 HB2 GLN 461 3.328 3.566 7.469 89 2HB GLN 461 HB1 GLN 461 1.921 2.733 8.116 90 1HG GLN 461 HG2 GLN 461 3.949 0.885 7.186 91 2HG GLN 461 HG1 GLN 461 4.563 1.991 8.414 92 1HE2 GLN 461 HE21 GLN 461 2.335 -0.573 7.715 93 2HE2 GLN 461 HE22 GLN 461 1.904 -0.923 9.350 94 H ASN 462 HN ASN 462 -0.235 1.887 6.158 95 HA ASN 462 HA ASN 462 -0.146 -0.857 6.793 96 1HB ASN 462 HB2 ASN 462 -2.102 0.890 6.948 97 2HB ASN 462 HB1 ASN 462 -2.477 0.322 5.324 98 1HD2 ASN 462 HD21 ASN 462 -2.953 -1.916 5.033 99 2HD2 ASN 462 HD22 ASN 462 -3.606 -2.842 6.337 100 H ALA 463 HN ALA 463 -0.689 0.809 3.690 101 HA ALA 463 HA ALA 463 -0.881 -1.600 2.185 102 1HB ALA 463 HB1 ALA 463 -0.391 -0.031 0.228 103 2HB ALA 463 HB2 ALA 463 -0.435 1.270 1.420 104 3HB ALA 463 HB3 ALA 463 -1.861 0.264 1.158 105 H GLU 464 HN GLU 464 1.717 0.591 3.052 106 HA GLU 464 HA GLU 464 3.708 -0.439 1.370 107 1HB GLU 464 HB2 GLU 464 3.538 1.431 3.538 108 2HB GLU 464 HB1 GLU 464 4.931 0.389 3.787 109 1HG GLU 464 HG2 GLU 464 4.993 1.096 1.083 110 2HG GLU 464 HG1 GLU 464 4.583 2.571 1.957 111 H ARG 465 HN ARG 465 2.533 -1.489 4.527 112 HA ARG 465 HA ARG 465 4.654 -3.336 4.949 113 1HB ARG 465 HB2 ARG 465 3.424 -4.145 6.834 114 2HB ARG 465 HB1 ARG 465 3.260 -2.399 6.787 115 1HG ARG 465 HG2 ARG 465 1.043 -2.497 6.570 116 2HG ARG 465 HG1 ARG 465 1.113 -3.820 5.413 117 1HD ARG 465 HD2 ARG 465 1.590 -5.367 7.304 118 2HD ARG 465 HD1 ARG 465 1.321 -4.020 8.409 119 HE ARG 465 HE ARG 465 -0.678 -5.522 6.971 120 1HH1 ARG 465 HH11 ARG 465 0.044 -2.546 8.646 121 2HH1 ARG 465 HH12 ARG 465 -1.613 -2.206 9.014 122 1HH2 ARG 465 HH21 ARG 465 -2.858 -5.076 7.456 123 2HH2 ARG 465 HH22 ARG 465 -3.260 -3.641 8.339 124 H LEU 466 HN LEU 466 1.340 -3.695 3.646 125 HA LEU 466 HA LEU 466 1.735 -6.505 3.222 126 1HB LEU 466 HB2 LEU 466 -0.264 -5.720 1.437 127 2HB LEU 466 HB1 LEU 466 -0.456 -6.495 2.993 128 HG LEU 466 HG LEU 466 -0.266 -3.514 2.880 129 1HD1 LEU 466 HD11 LEU 466 -2.935 -4.787 2.662 130 2HD1 LEU 466 HD12 LEU 466 -1.976 -4.626 1.190 131 3HD1 LEU 466 HD13 LEU 466 -2.391 -3.194 2.136 132 1HD2 LEU 466 HD21 LEU 466 -1.488 -3.614 4.886 133 2HD2 LEU 466 HD22 LEU 466 -0.333 -4.940 5.005 134 3HD2 LEU 466 HD23 LEU 466 -2.012 -5.267 4.582 135 H LEU 467 HN LEU 467 2.223 -3.570 1.391 136 HA LEU 467 HA LEU 467 2.640 -4.585 -1.175 137 1HB LEU 467 HB2 LEU 467 2.690 -2.149 -0.388 138 2HB LEU 467 HB1 LEU 467 4.327 -2.447 0.145 139 HG LEU 467 HG LEU 467 4.840 -1.548 -1.855 140 1HD1 LEU 467 HD11 LEU 467 4.893 -3.235 -3.745 141 2HD1 LEU 467 HD12 LEU 467 4.172 -4.370 -2.600 142 3HD1 LEU 467 HD13 LEU 467 5.747 -3.655 -2.259 143 1HD2 LEU 467 HD21 LEU 467 3.315 -1.701 -3.860 144 2HD2 LEU 467 HD22 LEU 467 2.711 -0.782 -2.481 145 3HD2 LEU 467 HD23 LEU 467 2.127 -2.413 -2.778 146 H LEU 468 HN LEU 468 4.821 -4.218 1.567 147 HA LEU 468 HA LEU 468 7.159 -5.304 0.560 148 1HB LEU 468 HB2 LEU 468 5.932 -4.972 3.233 149 2HB LEU 468 HB1 LEU 468 7.228 -6.145 3.123 150 HG LEU 468 HG LEU 468 8.779 -4.466 2.400 151 1HD1 LEU 468 HD11 LEU 468 8.256 -2.482 1.514 152 2HD1 LEU 468 HD12 LEU 468 7.021 -2.157 2.730 153 3HD1 LEU 468 HD13 LEU 468 6.639 -3.158 1.332 154 1HD2 LEU 468 HD21 LEU 468 8.376 -4.683 4.816 155 2HD2 LEU 468 HD22 LEU 468 7.139 -3.430 4.710 156 3HD2 LEU 468 HD23 LEU 468 8.823 -3.035 4.370 157 H ALA 469 HN ALA 469 4.358 -6.867 2.022 158 HA ALA 469 HA ALA 469 5.320 -9.457 2.211 159 1HB ALA 469 HB1 ALA 469 2.473 -9.034 1.452 160 2HB ALA 469 HB2 ALA 469 3.063 -8.355 2.967 161 3HB ALA 469 HB3 ALA 469 3.169 -10.091 2.681 162 H HIS 470 HN HIS 470 3.811 -7.894 -0.618 163 HA HIS 470 HA HIS 470 3.888 -10.334 -2.120 164 1HB HIS 470 HB2 HIS 470 2.568 -9.284 -3.616 165 2HB HIS 470 HB1 HIS 470 2.374 -8.110 -2.327 166 HD1 HIS 470 HD1 HIS 470 4.843 -6.379 -2.682 167 HD2 HIS 470 HD2 HIS 470 2.580 -7.823 -5.839 168 HE1 HIS 470 HE1 HIS 470 5.348 -4.863 -4.620 169 HE2 HIS 470 HE2 HIS 470 3.790 -5.627 -6.438 170 H MET 471 HN MET 471 5.886 -7.458 -1.987 171 HA MET 471 HA MET 471 7.584 -8.240 -4.141 172 1HB MET 471 HB2 MET 471 9.126 -6.511 -2.704 173 2HB MET 471 HB1 MET 471 7.996 -6.050 -3.962 174 1HG MET 471 HG2 MET 471 6.393 -5.357 -2.452 175 2HG MET 471 HG1 MET 471 7.090 -6.280 -1.125 176 1HE MET 471 HE1 MET 471 9.756 -5.870 -0.761 177 2HE MET 471 HE2 MET 471 10.434 -4.237 -0.633 178 3HE MET 471 HE3 MET 471 10.299 -5.020 -2.210 179 H MET 472 HN MET 472 7.547 -8.815 -0.704 180 HA MET 472 HA MET 472 10.213 -9.635 -0.322 181 1HB MET 472 HB2 MET 472 7.623 -10.055 1.068 182 2HB MET 472 HB1 MET 472 8.932 -11.163 1.462 183 1HG MET 472 HG2 MET 472 10.263 -8.865 1.658 184 2HG MET 472 HG1 MET 472 8.643 -8.282 2.035 185 1HE MET 472 HE1 MET 472 8.155 -7.798 3.959 186 2HE MET 472 HE2 MET 472 9.515 -7.836 5.089 187 3HE MET 472 HE3 MET 472 8.077 -8.829 5.387 188 H ARG 473 HN ARG 473 7.891 -10.962 -2.309 189 HA ARG 473 HA ARG 473 8.710 -13.722 -1.939 190 1HB ARG 473 HB2 ARG 473 6.383 -12.431 -2.871 191 2HB ARG 473 HB1 ARG 473 7.016 -13.361 -4.221 192 1HG ARG 473 HG2 ARG 473 5.485 -14.742 -3.048 193 2HG ARG 473 HG1 ARG 473 7.108 -15.347 -2.710 194 1HD ARG 473 HD2 ARG 473 6.150 -13.329 -0.814 195 2HD ARG 473 HD1 ARG 473 5.200 -14.814 -0.830 196 HE ARG 473 HE ARG 473 7.893 -14.483 0.128 197 1HH1 ARG 473 HH11 ARG 473 5.545 -16.759 -1.092 198 2HH1 ARG 473 HH12 ARG 473 6.302 -18.128 -0.351 199 1HH2 ARG 473 HH21 ARG 473 8.890 -16.282 1.103 200 2HH2 ARG 473 HH22 ARG 473 8.201 -17.858 0.896 201 H SER 474 HN SER 474 8.488 -11.614 -4.848 202 HA SER 474 HA SER 474 10.919 -12.974 -5.829 203 1HB SER 474 HB2 SER 474 10.003 -13.408 -7.937 204 2HB SER 474 HB1 SER 474 8.692 -13.801 -6.825 205 HG SER 474 HG SER 474 8.357 -12.325 -8.793 206 H ARG 475 HN ARG 475 12.198 -11.885 -7.375 207 HA ARG 475 HA ARG 475 12.574 -9.140 -6.914 208 1HB ARG 475 HB2 ARG 475 13.992 -9.294 -9.067 209 2HB ARG 475 HB1 ARG 475 14.489 -10.244 -7.680 210 1HG ARG 475 HG2 ARG 475 14.344 -12.122 -8.851 211 2HG ARG 475 HG1 ARG 475 12.675 -11.766 -9.298 212 1HD ARG 475 HD2 ARG 475 13.404 -10.452 -11.178 213 2HD ARG 475 HD1 ARG 475 15.088 -10.612 -10.687 214 HE ARG 475 HE ARG 475 15.131 -12.730 -11.585 215 1HH1 ARG 475 HH11 ARG 475 11.838 -11.573 -11.485 216 2HH1 ARG 475 HH12 ARG 475 11.228 -12.854 -12.477 217 1HH2 ARG 475 HH21 ARG 475 14.328 -14.414 -12.889 218 2HH2 ARG 475 HH22 ARG 475 12.640 -14.467 -13.274 219 H ASP 476 HN ASP 476 10.649 -10.863 -9.273 220 HA ASP 476 HA ASP 476 10.249 -8.729 -11.086 221 1HB ASP 476 HB2 ASP 476 9.648 -11.294 -11.283 222 2HB ASP 476 HB1 ASP 476 8.124 -10.786 -10.561 223 H VAL 477 HN VAL 477 8.533 -9.948 -8.269 224 HA VAL 477 HA VAL 477 6.496 -8.024 -8.272 225 HB VAL 477 HB VAL 477 7.655 -9.297 -5.799 226 1HG1 VAL 477 HG11 VAL 477 5.107 -7.935 -6.530 227 2HG1 VAL 477 HG12 VAL 477 6.141 -7.685 -5.125 228 3HG1 VAL 477 HG13 VAL 477 5.123 -9.124 -5.230 229 1HG2 VAL 477 HG21 VAL 477 6.686 -10.695 -7.987 230 2HG2 VAL 477 HG22 VAL 477 5.300 -10.596 -6.902 231 3HG2 VAL 477 HG23 VAL 477 6.814 -11.299 -6.335 232 H ALA 478 HN ALA 478 9.742 -8.156 -7.025 233 HA ALA 478 HA ALA 478 9.832 -5.890 -5.424 234 1HB ALA 478 HB1 ALA 478 12.113 -6.135 -5.481 235 2HB ALA 478 HB2 ALA 478 12.141 -6.544 -7.194 236 3HB ALA 478 HB3 ALA 478 11.615 -7.740 -6.009 237 H LEU 479 HN LEU 479 9.877 -6.264 -8.905 238 HA LEU 479 HA LEU 479 10.592 -3.565 -9.494 239 1HB LEU 479 HB2 LEU 479 10.413 -4.156 -11.689 240 2HB LEU 479 HB1 LEU 479 10.548 -5.762 -10.999 241 HG LEU 479 HG LEU 479 7.881 -5.505 -10.938 242 1HD1 LEU 479 HD11 LEU 479 8.723 -3.917 -13.358 243 2HD1 LEU 479 HD12 LEU 479 7.964 -3.246 -11.913 244 3HD1 LEU 479 HD13 LEU 479 7.079 -4.389 -12.925 245 1HD2 LEU 479 HD21 LEU 479 9.014 -6.223 -13.586 246 2HD2 LEU 479 HD22 LEU 479 7.862 -7.092 -12.572 247 3HD2 LEU 479 HD23 LEU 479 9.581 -7.120 -12.178 248 H VAL 480 HN VAL 480 7.626 -5.352 -8.966 249 HA VAL 480 HA VAL 480 5.776 -3.395 -9.780 250 HB VAL 480 HB VAL 480 5.339 -5.379 -7.561 251 1HG1 VAL 480 HG11 VAL 480 3.565 -3.737 -9.323 252 2HG1 VAL 480 HG12 VAL 480 3.496 -3.974 -7.577 253 3HG1 VAL 480 HG13 VAL 480 2.987 -5.267 -8.663 254 1HG2 VAL 480 HG21 VAL 480 4.534 -6.923 -9.284 255 2HG2 VAL 480 HG22 VAL 480 6.236 -6.532 -9.521 256 3HG2 VAL 480 HG23 VAL 480 5.010 -5.775 -10.536 257 H VAL 481 HN VAL 481 7.221 -4.008 -6.604 258 HA VAL 481 HA VAL 481 5.801 -2.009 -5.265 259 HB VAL 481 HB VAL 481 6.880 -3.572 -3.889 260 1HG1 VAL 481 HG11 VAL 481 9.238 -4.061 -3.882 261 2HG1 VAL 481 HG12 VAL 481 9.526 -2.847 -5.123 262 3HG1 VAL 481 HG13 VAL 481 8.591 -4.294 -5.504 263 1HG2 VAL 481 HG21 VAL 481 7.194 -1.939 -2.416 264 2HG2 VAL 481 HG22 VAL 481 7.642 -0.796 -3.679 265 3HG2 VAL 481 HG23 VAL 481 8.865 -1.846 -2.968 266 H GLN 482 HN GLN 482 9.104 -1.904 -6.642 267 HA GLN 482 HA GLN 482 9.485 0.839 -6.096 268 1HB GLN 482 HB2 GLN 482 10.986 -1.295 -7.222 269 2HB GLN 482 HB1 GLN 482 11.071 0.065 -8.333 270 1HG GLN 482 HG2 GLN 482 11.555 0.490 -5.420 271 2HG GLN 482 HG1 GLN 482 12.826 -0.180 -6.442 272 1HE2 GLN 482 HE21 GLN 482 12.340 2.467 -5.009 273 2HE2 GLN 482 HE22 GLN 482 12.695 3.654 -6.213 274 H GLU 483 HN GLU 483 8.585 -0.815 -9.121 275 HA GLU 483 HA GLU 483 8.348 1.653 -10.558 276 1HB GLU 483 HB2 GLU 483 8.784 -0.926 -11.292 277 2HB GLU 483 HB1 GLU 483 7.091 -0.734 -11.725 278 1HG GLU 483 HG2 GLU 483 8.063 1.518 -12.784 279 2HG GLU 483 HG1 GLU 483 9.504 0.507 -12.885 280 H ARG 484 HN ARG 484 5.963 -0.723 -9.368 281 HA ARG 484 HA ARG 484 3.772 0.849 -10.366 282 1HB ARG 484 HB2 ARG 484 4.031 -1.774 -9.892 283 2HB ARG 484 HB1 ARG 484 3.270 -1.292 -8.382 284 1HG ARG 484 HG2 ARG 484 1.309 -0.677 -9.406 285 2HG ARG 484 HG1 ARG 484 2.089 -0.382 -10.961 286 1HD ARG 484 HD2 ARG 484 1.728 -3.103 -9.714 287 2HD ARG 484 HD1 ARG 484 0.653 -2.410 -10.928 288 HE ARG 484 HE ARG 484 3.370 -2.422 -11.792 289 1HH1 ARG 484 HH11 ARG 484 0.544 -4.434 -11.426 290 2HH1 ARG 484 HH12 ARG 484 1.004 -5.528 -12.687 291 1HH2 ARG 484 HH21 ARG 484 3.979 -3.860 -13.452 292 2HH2 ARG 484 HH22 ARG 484 2.954 -5.203 -13.837 293 H ILE 485 HN ILE 485 5.696 1.252 -7.688 294 HA ILE 485 HA ILE 485 3.618 2.863 -6.431 295 HB ILE 485 HB ILE 485 3.340 1.638 -4.609 296 1HG1 ILE 485 HG12 ILE 485 6.354 1.557 -4.357 297 2HG1 ILE 485 HG11 ILE 485 5.241 2.628 -3.518 298 1HG2 ILE 485 HG21 ILE 485 4.873 -0.225 -6.306 299 2HG2 ILE 485 HG22 ILE 485 3.268 -0.380 -5.603 300 3HG2 ILE 485 HG23 ILE 485 4.692 -0.671 -4.615 301 1HD1 ILE 485 HD11 ILE 485 5.636 1.118 -1.872 302 2HD1 ILE 485 HD12 ILE 485 5.910 -0.213 -3.000 303 3HD1 ILE 485 HD13 ILE 485 4.263 0.333 -2.657 304 H GLY 486 HN GLY 486 7.041 1.883 -6.187 305 1HA GLY 486 HA2 GLY 486 8.885 3.110 -5.488 306 2HA GLY 486 HA1 GLY 486 8.297 4.199 -6.733 307 H GLY 487 HN GLY 487 7.065 3.403 -3.483 308 1HA GLY 487 HA2 GLY 487 6.781 6.265 -2.965 309 2HA GLY 487 HA1 GLY 487 6.076 4.965 -2.018 310 H ARG 488 HN ARG 488 6.993 6.635 -0.392 311 HA ARG 488 HA ARG 488 9.143 5.424 0.954 312 1HB ARG 488 HB2 ARG 488 10.763 7.349 0.789 313 2HB ARG 488 HB1 ARG 488 10.613 6.368 -0.663 314 1HG ARG 488 HG2 ARG 488 8.776 8.628 -0.613 315 2HG ARG 488 HG1 ARG 488 10.475 9.102 -0.546 316 1HD ARG 488 HD2 ARG 488 10.930 8.275 -2.625 317 2HD ARG 488 HD1 ARG 488 9.690 7.027 -2.520 318 HE ARG 488 HE ARG 488 8.191 8.486 -3.449 319 1HH1 ARG 488 HH11 ARG 488 10.981 10.274 -2.356 320 2HH1 ARG 488 HH12 ARG 488 10.475 11.757 -3.092 321 1HH2 ARG 488 HH21 ARG 488 7.523 10.436 -4.418 322 2HH2 ARG 488 HH22 ARG 488 8.511 11.850 -4.263 323 H PHE 489 HN PHE 489 8.052 5.604 2.835 324 HA PHE 489 HA PHE 489 6.968 8.201 3.624 325 1HB PHE 489 HB2 PHE 489 6.692 5.473 4.904 326 2HB PHE 489 HB1 PHE 489 5.903 6.940 5.473 327 HD1 PHE 489 HD1 PHE 489 5.058 8.151 2.919 328 HD2 PHE 489 HD2 PHE 489 4.937 4.108 4.241 329 HE1 PHE 489 HE1 PHE 489 3.162 7.719 1.411 330 HE2 PHE 489 HE2 PHE 489 3.042 3.668 2.735 331 HZ PHE 489 HZ PHE 489 2.153 5.474 1.317 332 H ASN 490 HN ASN 490 7.113 8.132 6.336 333 HA ASN 490 HA ASN 490 9.938 8.660 6.772 334 1HB ASN 490 HB2 ASN 490 7.622 9.130 8.657 335 2HB ASN 490 HB1 ASN 490 9.243 9.808 8.781 336 1HD2 ASN 490 HD21 ASN 490 6.128 10.177 7.507 337 2HD2 ASN 490 HD22 ASN 490 6.420 11.592 6.560 338 H ILE 491 HN ILE 491 9.592 5.984 6.493 339 HA ILE 491 HA ILE 491 9.987 4.999 9.241 340 HB ILE 491 HB ILE 491 8.777 3.346 7.029 341 1HG1 ILE 491 HG12 ILE 491 7.029 4.063 9.269 342 2HG1 ILE 491 HG11 ILE 491 7.496 5.445 8.284 343 1HG2 ILE 491 HG21 ILE 491 8.441 1.688 8.624 344 2HG2 ILE 491 HG22 ILE 491 8.615 2.813 9.971 345 3HG2 ILE 491 HG23 ILE 491 10.031 2.329 9.038 346 1HD1 ILE 491 HD11 ILE 491 5.508 4.678 7.344 347 2HD1 ILE 491 HD12 ILE 491 5.996 2.988 7.467 348 3HD1 ILE 491 HD13 ILE 491 6.768 4.044 6.286 349 H GLU 492 HN GLU 492 12.047 4.454 9.470 350 HA GLU 492 HA GLU 492 13.819 4.052 7.309 351 1HB GLU 492 HB2 GLU 492 13.969 4.133 10.216 352 2HB GLU 492 HB1 GLU 492 15.076 2.955 9.522 353 1HG GLU 492 HG2 GLU 492 16.435 4.531 8.732 354 2HG GLU 492 HG1 GLU 492 15.099 5.505 8.120 355 H GLU 493 HN GLU 493 12.138 1.782 9.447 356 HA GLU 493 HA GLU 493 13.526 -0.516 8.465 357 1HB GLU 493 HB2 GLU 493 11.032 -0.125 10.103 358 2HB GLU 493 HB1 GLU 493 11.574 -1.722 9.616 359 1HG GLU 493 HG2 GLU 493 12.665 -1.684 11.566 360 2HG GLU 493 HG1 GLU 493 13.851 -0.733 10.672 361 H HIS 494 HN HIS 494 10.196 0.653 7.978 362 HA HIS 494 HA HIS 494 9.444 -1.273 6.090 363 1HB HIS 494 HB2 HIS 494 8.471 1.511 6.671 364 2HB HIS 494 HB1 HIS 494 7.807 0.592 5.326 365 HD1 HIS 494 HD1 HIS 494 5.556 -0.100 6.113 366 HD2 HIS 494 HD2 HIS 494 8.478 -0.716 9.002 367 HE1 HIS 494 HE1 HIS 494 4.396 -1.293 7.998 368 HE2 HIS 494 HE2 HIS 494 6.167 -1.590 9.766 369 H ARG 495 HN ARG 495 10.797 1.976 5.661 370 HA ARG 495 HA ARG 495 10.870 1.954 2.855 371 1HB ARG 495 HB2 ARG 495 11.206 3.966 4.321 372 2HB ARG 495 HB1 ARG 495 12.812 3.358 4.700 373 1HG ARG 495 HG2 ARG 495 13.563 3.667 2.490 374 2HG ARG 495 HG1 ARG 495 11.921 3.896 1.884 375 1HD ARG 495 HD2 ARG 495 11.751 5.973 3.190 376 2HD ARG 495 HD1 ARG 495 13.410 5.748 3.743 377 HE ARG 495 HE ARG 495 13.599 5.708 1.026 378 1HH1 ARG 495 HH11 ARG 495 12.277 7.952 3.349 379 2HH1 ARG 495 HH12 ARG 495 12.593 9.345 2.371 380 1HH2 ARG 495 HH21 ARG 495 14.016 7.541 -0.262 381 2HH2 ARG 495 HH22 ARG 495 13.580 9.112 0.321 382 H ALA 496 HN ALA 496 13.020 0.665 5.306 383 HA ALA 496 HA ALA 496 15.245 0.129 3.676 384 1HB ALA 496 HB1 ALA 496 14.302 -1.367 6.118 385 2HB ALA 496 HB2 ALA 496 15.412 0.004 6.093 386 3HB ALA 496 HB3 ALA 496 15.887 -1.531 5.361 387 H LEU 497 HN LEU 497 12.197 -1.536 4.129 388 HA LEU 497 HA LEU 497 13.018 -3.949 2.845 389 1HB LEU 497 HB2 LEU 497 10.799 -3.192 4.267 390 2HB LEU 497 HB1 LEU 497 10.180 -3.283 2.630 391 HG LEU 497 HG LEU 497 9.836 -5.400 3.769 392 1HD1 LEU 497 HD11 LEU 497 10.597 -6.810 2.089 393 2HD1 LEU 497 HD12 LEU 497 12.084 -5.892 1.857 394 3HD1 LEU 497 HD13 LEU 497 10.545 -5.232 1.303 395 1HD2 LEU 497 HD21 LEU 497 12.624 -4.971 4.569 396 2HD2 LEU 497 HD22 LEU 497 12.240 -6.621 4.078 397 3HD2 LEU 497 HD23 LEU 497 11.330 -5.854 5.379 398 H ALA 498 HN ALA 498 11.028 -1.202 1.763 399 HA ALA 498 HA ALA 498 10.810 -1.957 -0.924 400 1HB ALA 498 HB1 ALA 498 10.598 0.603 0.559 401 2HB ALA 498 HB2 ALA 498 9.432 -0.205 -0.492 402 3HB ALA 498 HB3 ALA 498 10.788 0.680 -1.193 403 H ALA 499 HN ALA 499 13.321 -0.329 0.887 404 HA ALA 499 HA ALA 499 14.956 0.360 -1.355 405 1HB ALA 499 HB1 ALA 499 16.359 1.312 0.153 406 2HB ALA 499 HB2 ALA 499 16.208 -0.026 1.295 407 3HB ALA 499 HB3 ALA 499 14.937 1.198 1.190 408 H TYR 500 HN TYR 500 14.731 -2.349 0.903 409 HA TYR 500 HA TYR 500 17.119 -3.611 0.466 410 1HB TYR 500 HB2 TYR 500 14.363 -4.682 0.963 411 2HB TYR 500 HB1 TYR 500 15.689 -5.793 0.667 412 HD1 TYR 500 HD1 TYR 500 13.928 -5.482 3.145 413 HD2 TYR 500 HD2 TYR 500 17.776 -3.979 2.152 414 HE1 TYR 500 HE1 TYR 500 14.481 -5.406 5.518 415 HE2 TYR 500 HE2 TYR 500 18.362 -3.892 4.535 416 HH TYR 500 HH TYR 500 17.325 -3.813 6.675 417 H ILE 501 HN ILE 501 14.105 -4.212 -1.306 418 HA ILE 501 HA ILE 501 15.064 -5.971 -3.204 419 HB ILE 501 HB ILE 501 13.227 -4.969 -4.706 420 1HG1 ILE 501 HG12 ILE 501 11.683 -3.865 -2.620 421 2HG1 ILE 501 HG11 ILE 501 13.247 -3.074 -2.543 422 1HG2 ILE 501 HG21 ILE 501 12.586 -6.133 -2.002 423 2HG2 ILE 501 HG22 ILE 501 12.967 -7.029 -3.472 424 3HG2 ILE 501 HG23 ILE 501 11.481 -6.087 -3.376 425 1HD1 ILE 501 HD11 ILE 501 11.460 -3.232 -4.953 426 2HD1 ILE 501 HD12 ILE 501 13.043 -2.456 -4.898 427 3HD1 ILE 501 HD13 ILE 501 11.716 -1.821 -3.927 428 H TYR 502 HN TYR 502 14.678 -2.434 -3.642 429 HA TYR 502 HA TYR 502 15.657 -2.091 -6.142 430 1HB TYR 502 HB2 TYR 502 15.007 -0.376 -4.215 431 2HB TYR 502 HB1 TYR 502 16.757 -0.243 -4.079 432 HD1 TYR 502 HD1 TYR 502 17.285 1.847 -4.958 433 HD2 TYR 502 HD2 TYR 502 14.634 -0.691 -7.111 434 HE1 TYR 502 HE1 TYR 502 17.313 3.427 -6.843 435 HE2 TYR 502 HE2 TYR 502 14.656 0.880 -9.001 436 HH TYR 502 HH TYR 502 15.113 3.218 -9.449 437 H ALA 503 HN ALA 503 17.696 -2.283 -3.228 438 HA ALA 503 HA ALA 503 20.141 -2.209 -4.700 439 1HB ALA 503 HB1 ALA 503 20.103 -1.402 -2.438 440 2HB ALA 503 HB2 ALA 503 21.180 -2.796 -2.525 441 3HB ALA 503 HB3 ALA 503 19.563 -2.972 -1.843 442 H PHE 504 HN PHE 504 18.232 -4.805 -3.202 443 HA PHE 504 HA PHE 504 20.021 -6.890 -3.527 444 1HB PHE 504 HB2 PHE 504 17.153 -6.628 -3.064 445 2HB PHE 504 HB1 PHE 504 17.573 -8.093 -3.949 446 HD1 PHE 504 HD1 PHE 504 19.030 -6.160 -1.104 447 HD2 PHE 504 HD2 PHE 504 17.798 -9.942 -2.616 448 HE1 PHE 504 HE1 PHE 504 19.735 -7.224 0.998 449 HE2 PHE 504 HE2 PHE 504 18.500 -11.013 -0.514 450 HZ PHE 504 HZ PHE 504 19.470 -9.654 1.295 451 H TYR 505 HN TYR 505 18.124 -5.268 -5.957 452 HA TYR 505 HA TYR 505 18.046 -7.253 -7.928 453 1HB TYR 505 HB2 TYR 505 18.410 -4.285 -8.388 454 2HB TYR 505 HB1 TYR 505 17.780 -5.454 -9.542 455 HD1 TYR 505 HD1 TYR 505 16.253 -6.780 -6.959 456 HD2 TYR 505 HD2 TYR 505 16.302 -3.009 -8.926 457 HE1 TYR 505 HE1 TYR 505 13.981 -6.336 -6.147 458 HE2 TYR 505 HE2 TYR 505 14.025 -2.553 -8.123 459 HH TYR 505 HH TYR 505 12.384 -3.232 -6.742 460 H GLU 506 HN GLU 506 20.510 -4.808 -7.230 461 HA GLU 506 HA GLU 506 22.285 -5.665 -9.291 462 1HB GLU 506 HB2 GLU 506 22.137 -3.411 -7.854 463 2HB GLU 506 HB1 GLU 506 23.339 -4.257 -6.890 464 1HG GLU 506 HG2 GLU 506 24.487 -2.893 -8.455 465 2HG GLU 506 HG1 GLU 506 24.682 -4.571 -8.961 466 H GLU 507 HN GLU 507 21.721 -6.531 -5.969 467 HA GLU 507 HA GLU 507 24.156 -7.874 -5.476 468 1HB GLU 507 HB2 GLU 507 21.895 -7.233 -4.008 469 2HB GLU 507 HB1 GLU 507 21.867 -8.990 -4.060 470 1HG GLU 507 HG2 GLU 507 23.333 -9.016 -2.409 471 2HG GLU 507 HG1 GLU 507 24.516 -8.284 -3.492 472 H GLY 508 HN GLY 508 20.958 -9.449 -5.822 473 1HA GLY 508 HA2 GLY 508 22.311 -11.550 -7.395 474 2HA GLY 508 HA1 GLY 508 21.245 -11.962 -6.065 475 H HIS 509 HN HIS 509 19.859 -9.316 -7.455 476 HA HIS 509 HA HIS 509 18.163 -8.960 -8.921 477 1HB HIS 509 HB2 HIS 509 18.951 -11.597 -10.178 478 2HB HIS 509 HB1 HIS 509 17.910 -10.371 -10.890 479 HD1 HIS 509 HD1 HIS 509 19.237 -9.536 -12.816 480 HD2 HIS 509 HD2 HIS 509 21.508 -9.780 -9.345 481 HE1 HIS 509 HE1 HIS 509 21.460 -8.515 -13.394 482 HE2 HIS 509 HE2 HIS 509 22.846 -8.750 -11.303 483 H GLU 510 HN GLU 510 17.873 -10.403 -6.407 484 HA GLU 510 HA GLU 510 15.157 -11.172 -6.695 485 1HB GLU 510 HB2 GLU 510 16.778 -13.230 -7.324 486 2HB GLU 510 HB1 GLU 510 16.658 -13.456 -5.583 487 1HG GLU 510 HG2 GLU 510 14.051 -12.959 -6.421 488 2HG GLU 510 HG1 GLU 510 14.733 -14.025 -7.651 489 H ALA 511 HN ALA 511 14.245 -10.366 -4.970 490 HA ALA 511 HA ALA 511 15.676 -9.576 -2.673 491 1HB ALA 511 HB1 ALA 511 13.232 -8.978 -3.746 492 2HB ALA 511 HB2 ALA 511 13.810 -8.453 -2.165 493 3HB ALA 511 HB3 ALA 511 12.796 -9.888 -2.300 494 H ASP 512 HN ASP 512 16.706 -11.735 -2.284 495 HA ASP 512 HA ASP 512 15.344 -14.001 -1.447 496 1HB ASP 512 HB2 ASP 512 18.050 -12.892 -0.747 497 2HB ASP 512 HB1 ASP 512 17.470 -14.387 -0.020 498 HA PRO 513 HA PRO 513 13.265 -12.212 2.136 499 1HB PRO 513 HB2 PRO 513 12.382 -14.698 3.046 500 2HB PRO 513 HB1 PRO 513 11.499 -13.623 1.959 501 1HG PRO 513 HG2 PRO 513 13.173 -16.007 1.325 502 2HG PRO 513 HG1 PRO 513 11.676 -15.448 0.559 503 1HD PRO 513 HD2 PRO 513 14.059 -15.090 -0.607 504 2HD PRO 513 HD1 PRO 513 12.780 -13.863 -0.728 505 H GLY 514 HN GLY 514 14.811 -15.402 2.600 506 1HA GLY 514 HA2 GLY 514 15.437 -15.056 5.293 507 2HA GLY 514 HA1 GLY 514 16.291 -16.133 4.199 508 H ALA 515 HN ALA 515 17.169 -13.979 2.437 509 HA ALA 515 HA ALA 515 19.527 -13.243 3.911 510 1HB ALA 515 HB1 ALA 515 18.756 -12.504 1.095 511 2HB ALA 515 HB2 ALA 515 19.612 -13.975 1.558 512 3HB ALA 515 HB3 ALA 515 20.362 -12.399 1.815 513 H LEU 516 HN LEU 516 17.048 -11.350 2.149 514 HA LEU 516 HA LEU 516 18.040 -8.895 3.219 515 1HB LEU 516 HB2 LEU 516 16.656 -7.826 1.770 516 2HB LEU 516 HB1 LEU 516 16.797 -9.376 0.972 517 HG LEU 516 HG LEU 516 14.596 -9.907 2.329 518 1HD1 LEU 516 HD11 LEU 516 13.210 -8.059 2.761 519 2HD1 LEU 516 HD12 LEU 516 14.277 -6.955 1.896 520 3HD1 LEU 516 HD13 LEU 516 14.773 -7.620 3.453 521 1HD2 LEU 516 HD21 LEU 516 13.339 -8.785 0.350 522 2HD2 LEU 516 HD22 LEU 516 14.475 -10.096 0.028 523 3HD2 LEU 516 HD23 LEU 516 14.964 -8.422 -0.240 524 H ILE 517 HN ILE 517 15.238 -10.949 4.004 525 HA ILE 517 HA ILE 517 13.930 -9.179 5.721 526 HB ILE 517 HB ILE 517 14.092 -12.190 5.982 527 1HG1 ILE 517 HG12 ILE 517 12.760 -12.196 4.161 528 2HG1 ILE 517 HG11 ILE 517 11.521 -11.486 5.178 529 1HG2 ILE 517 HG21 ILE 517 12.959 -10.216 7.732 530 2HG2 ILE 517 HG22 ILE 517 13.073 -11.963 7.936 531 3HG2 ILE 517 HG23 ILE 517 11.694 -11.263 7.088 532 1HD1 ILE 517 HD11 ILE 517 12.000 -9.312 4.404 533 2HD1 ILE 517 HD12 ILE 517 11.939 -10.351 2.975 534 3HD1 ILE 517 HD13 ILE 517 13.489 -9.841 3.634 535 H SER 518 HN SER 518 16.820 -11.059 6.197 536 HA SER 518 HA SER 518 16.900 -10.281 9.024 537 1HB SER 518 HB2 SER 518 18.158 -12.461 7.428 538 2HB SER 518 HB1 SER 518 19.064 -11.835 8.806 539 HG SER 518 HG SER 518 16.358 -12.639 9.000 540 H ARG 519 HN ARG 519 17.225 -8.181 7.280 541 HA ARG 519 HA ARG 519 20.109 -7.605 7.543 542 1HB ARG 519 HB2 ARG 519 19.069 -7.943 5.162 543 2HB ARG 519 HB1 ARG 519 18.450 -6.317 5.410 544 1HG ARG 519 HG2 ARG 519 20.380 -5.644 4.529 545 2HG ARG 519 HG1 ARG 519 21.079 -6.040 6.100 546 1HD ARG 519 HD2 ARG 519 21.161 -8.463 4.974 547 2HD ARG 519 HD1 ARG 519 21.258 -7.476 3.516 548 HE ARG 519 HE ARG 519 23.283 -7.802 5.532 549 1HH1 ARG 519 HH11 ARG 519 22.079 -5.737 2.990 550 2HH1 ARG 519 HH12 ARG 519 23.609 -4.978 2.710 551 1HH2 ARG 519 HH21 ARG 519 25.298 -6.804 5.166 552 2HH2 ARG 519 HH22 ARG 519 25.438 -5.584 3.945 553 H ILE 520 HN ILE 520 16.980 -6.723 8.395 554 HA ILE 520 HA ILE 520 17.434 -3.890 8.642 555 HB ILE 520 HB ILE 520 15.269 -4.303 10.221 556 1HG1 ILE 520 HG12 ILE 520 15.579 -6.817 9.547 557 2HG1 ILE 520 HG11 ILE 520 13.977 -6.116 9.600 558 1HG2 ILE 520 HG21 ILE 520 14.302 -3.027 8.670 559 2HG2 ILE 520 HG22 ILE 520 14.537 -4.230 7.404 560 3HG2 ILE 520 HG23 ILE 520 15.837 -3.120 7.813 561 1HD1 ILE 520 HD11 ILE 520 13.864 -5.977 7.244 562 2HD1 ILE 520 HD12 ILE 520 14.455 -7.582 7.632 563 3HD1 ILE 520 HD13 ILE 520 15.576 -6.346 7.070 564 HA PRO 521 HA PRO 521 18.933 -3.418 12.731 565 1HB PRO 521 HB2 PRO 521 16.604 -1.837 13.601 566 2HB PRO 521 HB1 PRO 521 18.294 -1.354 13.439 567 1HG PRO 521 HG2 PRO 521 16.419 -0.484 11.732 568 2HG PRO 521 HG1 PRO 521 18.073 -0.840 11.199 569 1HD PRO 521 HD2 PRO 521 15.590 -2.494 10.909 570 2HD PRO 521 HD1 PRO 521 16.891 -2.199 9.734 571 H GLY 522 HN GLY 522 15.410 -3.386 13.411 572 1HA GLY 522 HA2 GLY 522 15.552 -5.946 14.721 573 2HA GLY 522 HA1 GLY 522 15.482 -4.607 15.849 574 H GLU 523 HN GLU 523 13.676 -3.055 13.985 575 HA GLU 523 HA GLU 523 11.227 -4.216 14.977 576 1HB GLU 523 HB2 GLU 523 12.098 -1.634 14.280 577 2HB GLU 523 HB1 GLU 523 10.798 -2.017 13.160 578 1HG GLU 523 HG2 GLU 523 9.276 -2.416 14.955 579 2HG GLU 523 HG1 GLU 523 10.570 -2.289 16.146 580 H LEU 524 HN LEU 524 12.676 -3.632 11.791 581 HA LEU 524 HA LEU 524 10.444 -4.735 10.376 582 1HB LEU 524 HB2 LEU 524 12.657 -3.229 9.674 583 2HB LEU 524 HB1 LEU 524 12.996 -4.785 8.963 584 HG LEU 524 HG LEU 524 11.008 -2.754 8.184 585 1HD1 LEU 524 HD11 LEU 524 11.503 -3.652 5.956 586 2HD1 LEU 524 HD12 LEU 524 12.496 -4.908 6.686 587 3HD1 LEU 524 HD13 LEU 524 12.972 -3.218 6.824 588 1HD2 LEU 524 HD21 LEU 524 10.272 -5.587 8.540 589 2HD2 LEU 524 HD22 LEU 524 9.858 -4.871 6.984 590 3HD2 LEU 524 HD23 LEU 524 9.257 -4.147 8.475 591 H GLN 525 HN GLN 525 13.094 -6.047 12.087 592 HA GLN 525 HA GLN 525 13.596 -8.386 10.637 593 1HB GLN 525 HB2 GLN 525 13.905 -7.582 13.497 594 2HB GLN 525 HB1 GLN 525 14.056 -9.286 13.092 595 1HG GLN 525 HG2 GLN 525 15.596 -7.376 11.445 596 2HG GLN 525 HG1 GLN 525 16.117 -7.601 13.113 597 1HE2 GLN 525 HE21 GLN 525 17.558 -8.310 10.754 598 2HE2 GLN 525 HE22 GLN 525 17.792 -10.022 10.790 599 HA PRO 526 HA PRO 526 10.178 -10.604 13.244 600 1HB PRO 526 HB2 PRO 526 8.550 -9.004 14.742 601 2HB PRO 526 HB1 PRO 526 10.003 -9.781 15.380 602 1HG PRO 526 HG2 PRO 526 9.621 -6.973 14.423 603 2HG PRO 526 HG1 PRO 526 10.506 -7.563 15.842 604 1HD PRO 526 HD2 PRO 526 11.758 -6.844 13.563 605 2HD PRO 526 HD1 PRO 526 12.358 -8.156 14.597 606 H LEU 527 HN LEU 527 9.351 -7.264 12.331 607 HA LEU 527 HA LEU 527 6.755 -7.807 11.407 608 1HB LEU 527 HB2 LEU 527 8.087 -5.557 11.843 609 2HB LEU 527 HB1 LEU 527 8.369 -5.669 10.116 610 HG LEU 527 HG LEU 527 5.671 -6.082 10.248 611 1HD1 LEU 527 HD11 LEU 527 6.015 -3.780 12.091 612 2HD1 LEU 527 HD12 LEU 527 6.074 -5.406 12.771 613 3HD1 LEU 527 HD13 LEU 527 4.647 -4.873 11.884 614 1HD2 LEU 527 HD21 LEU 527 5.535 -3.631 9.619 615 2HD2 LEU 527 HD22 LEU 527 6.613 -4.631 8.646 616 3HD2 LEU 527 HD23 LEU 527 7.277 -3.566 9.886 617 H ALA 528 HN ALA 528 9.734 -7.343 9.505 618 HA ALA 528 HA ALA 528 8.667 -7.936 7.017 619 1HB ALA 528 HB1 ALA 528 11.480 -8.424 7.972 620 2HB ALA 528 HB2 ALA 528 10.854 -6.914 7.312 621 3HB ALA 528 HB3 ALA 528 10.959 -8.345 6.290 622 H SER 529 HN SER 529 10.179 -10.156 9.367 623 HA SER 529 HA SER 529 10.206 -12.439 7.786 624 1HB SER 529 HB2 SER 529 10.364 -13.706 9.810 625 2HB SER 529 HB1 SER 529 11.179 -12.173 10.117 626 HG SER 529 HG SER 529 9.882 -12.122 11.778 627 H GLU 530 HN GLU 530 7.633 -11.209 9.892 628 HA GLU 530 HA GLU 530 5.770 -13.254 9.164 629 1HB GLU 530 HB2 GLU 530 5.734 -10.796 10.817 630 2HB GLU 530 HB1 GLU 530 4.189 -11.289 10.137 631 1HG GLU 530 HG2 GLU 530 5.931 -13.205 11.646 632 2HG GLU 530 HG1 GLU 530 4.795 -12.132 12.464 633 H LEU 531 HN LEU 531 6.497 -9.996 8.097 634 HA LEU 531 HA LEU 531 4.231 -9.599 6.469 635 1HB LEU 531 HB2 LEU 531 6.581 -8.162 7.149 636 2HB LEU 531 HB1 LEU 531 6.446 -8.176 5.406 637 HG LEU 531 HG LEU 531 4.104 -7.304 5.655 638 1HD1 LEU 531 HD11 LEU 531 4.979 -6.734 8.484 639 2HD1 LEU 531 HD12 LEU 531 3.867 -8.028 8.037 640 3HD1 LEU 531 HD13 LEU 531 3.428 -6.346 7.738 641 1HD2 LEU 531 HD21 LEU 531 6.231 -5.536 6.843 642 2HD2 LEU 531 HD22 LEU 531 4.834 -5.059 5.883 643 3HD2 LEU 531 HD23 LEU 531 6.152 -5.956 5.132 644 H SER 532 HN SER 532 7.036 -11.529 5.959 645 HA SER 532 HA SER 532 7.492 -11.390 3.266 646 1HB SER 532 HB2 SER 532 8.091 -13.801 3.353 647 2HB SER 532 HB1 SER 532 8.760 -12.896 4.711 648 HG SER 532 HG SER 532 6.920 -13.650 5.934 649 H LEU 533 HN LEU 533 4.716 -12.585 4.894 650 HA LEU 533 HA LEU 533 3.056 -12.450 2.657 651 1HB LEU 533 HB2 LEU 533 4.324 -14.569 2.103 652 2HB LEU 533 HB1 LEU 533 3.600 -15.289 3.529 653 HG LEU 533 HG LEU 533 1.392 -14.359 2.243 654 1HD1 LEU 533 HD11 LEU 533 1.597 -14.197 0.025 655 2HD1 LEU 533 HD12 LEU 533 2.612 -15.637 -0.071 656 3HD1 LEU 533 HD13 LEU 533 3.333 -14.075 0.316 657 1HD2 LEU 533 HD21 LEU 533 1.789 -16.600 3.226 658 2HD2 LEU 533 HD22 LEU 533 2.659 -17.049 1.759 659 3HD2 LEU 533 HD23 LEU 533 0.943 -16.648 1.679 660 H LEU 534 HN LEU 534 3.011 -11.399 5.182 661 HA LEU 534 HA LEU 534 1.534 -12.919 7.044 662 1HB LEU 534 HB2 LEU 534 1.537 -11.042 8.358 663 2HB LEU 534 HB1 LEU 534 2.888 -10.685 7.306 664 HG LEU 534 HG LEU 534 0.180 -9.677 6.578 665 1HD1 LEU 534 HD11 LEU 534 0.059 -8.706 8.609 666 2HD1 LEU 534 HD12 LEU 534 1.166 -7.549 7.869 667 3HD1 LEU 534 HD13 LEU 534 1.794 -8.839 8.895 668 1HD2 LEU 534 HD21 LEU 534 2.497 -7.956 6.270 669 2HD2 LEU 534 HD22 LEU 534 1.277 -8.435 5.094 670 3HD2 LEU 534 HD23 LEU 534 2.653 -9.489 5.413 671 H LEU 535 HN LEU 535 0.625 -10.702 4.462 672 HA LEU 535 HA LEU 535 -2.061 -11.779 4.618 673 1HB LEU 535 HB2 LEU 535 -3.164 -9.702 4.666 674 2HB LEU 535 HB1 LEU 535 -1.945 -9.634 5.922 675 HG LEU 535 HG LEU 535 -0.720 -8.597 3.603 676 1HD1 LEU 535 HD11 LEU 535 -2.168 -7.259 2.524 677 2HD1 LEU 535 HD12 LEU 535 -3.050 -6.851 3.995 678 3HD1 LEU 535 HD13 LEU 535 -3.389 -8.363 3.154 679 1HD2 LEU 535 HD21 LEU 535 -0.235 -6.829 4.965 680 2HD2 LEU 535 HD22 LEU 535 -0.678 -8.023 6.182 681 3HD2 LEU 535 HD23 LEU 535 -1.842 -6.796 5.689 682 H ILE 536 HN ILE 536 -0.628 -12.741 2.743 683 HA ILE 536 HA ILE 536 -1.804 -11.714 0.352 684 HB ILE 536 HB ILE 536 0.006 -10.202 0.261 685 1HG1 ILE 536 HG12 ILE 536 0.769 -12.587 -1.425 686 2HG1 ILE 536 HG11 ILE 536 -0.452 -11.386 -1.840 687 1HG2 ILE 536 HG21 ILE 536 2.411 -10.989 0.378 688 2HG2 ILE 536 HG22 ILE 536 1.776 -12.502 1.035 689 3HG2 ILE 536 HG23 ILE 536 1.507 -10.991 1.901 690 1HD1 ILE 536 HD11 ILE 536 1.071 -10.021 -2.659 691 2HD1 ILE 536 HD12 ILE 536 2.235 -11.337 -2.488 692 3HD1 ILE 536 HD13 ILE 536 2.059 -10.140 -1.204 693 H ALA 537 HN ALA 537 -1.430 -13.135 -1.504 694 HA ALA 537 HA ALA 537 -0.822 -15.869 -0.600 695 1HB ALA 537 HB1 ALA 537 -2.381 -16.686 -2.161 696 2HB ALA 537 HB2 ALA 537 -2.443 -15.150 -3.025 697 3HB ALA 537 HB3 ALA 537 -3.152 -15.286 -1.416 698 H ASP 538 HN ASP 538 -0.107 -17.341 -2.451 699 HA ASP 538 HA ASP 538 2.400 -16.580 -3.350 700 1HB ASP 538 HB2 ASP 538 0.500 -18.758 -4.127 701 2HB ASP 538 HB1 ASP 538 1.955 -18.507 -5.088 702 H ASP 539 HN ASP 539 -0.719 -16.009 -4.755 703 HA ASP 539 HA ASP 539 0.428 -15.166 -7.298 704 1HB ASP 539 HB2 ASP 539 -1.706 -16.496 -7.171 705 2HB ASP 539 HB1 ASP 539 -2.468 -15.087 -6.441 706 H VAL 540 HN VAL 540 0.322 -13.776 -4.406 707 HA VAL 540 HA VAL 540 0.623 -11.649 -3.718 708 HB VAL 540 HB VAL 540 0.433 -11.067 -6.653 709 1HG1 VAL 540 HG11 VAL 540 0.996 -8.720 -6.166 710 2HG1 VAL 540 HG12 VAL 540 0.754 -9.028 -4.447 711 3HG1 VAL 540 HG13 VAL 540 -0.602 -9.153 -5.567 712 1HG2 VAL 540 HG21 VAL 540 2.515 -11.977 -6.072 713 2HG2 VAL 540 HG22 VAL 540 2.608 -11.030 -4.587 714 3HG2 VAL 540 HG23 VAL 540 2.786 -10.236 -6.152 715 H SER 541 HN SER 541 -2.234 -12.710 -5.228 716 HA SER 541 HA SER 541 -4.416 -12.145 -4.919 717 1HB SER 541 HB2 SER 541 -3.313 -11.777 -2.498 718 2HB SER 541 HB1 SER 541 -3.750 -10.104 -2.848 719 HG SER 541 HG SER 541 -5.588 -12.238 -3.123 720 H GLU 542 HN GLU 542 -4.575 -11.187 -6.943 721 HA GLU 542 HA GLU 542 -3.623 -8.783 -7.820 722 1HB GLU 542 HB2 GLU 542 -5.015 -10.659 -9.007 723 2HB GLU 542 HB1 GLU 542 -6.375 -9.604 -8.646 724 1HG GLU 542 HG2 GLU 542 -4.722 -7.808 -9.726 725 2HG GLU 542 HG1 GLU 542 -4.152 -9.255 -10.557 726 H GLN 543 HN GLN 543 -6.870 -9.252 -6.386 727 HA GLN 543 HA GLN 543 -7.700 -6.607 -6.518 728 1HB GLN 543 HB2 GLN 543 -8.327 -8.735 -4.468 729 2HB GLN 543 HB1 GLN 543 -9.151 -7.183 -4.536 730 1HG GLN 543 HG2 GLN 543 -9.108 -8.586 -7.090 731 2HG GLN 543 HG1 GLN 543 -9.935 -9.471 -5.809 732 1HE2 GLN 543 HE21 GLN 543 -12.025 -9.121 -5.800 733 2HE2 GLN 543 HE22 GLN 543 -12.819 -7.638 -6.191 734 H GLU 544 HN GLU 544 -5.787 -8.245 -4.057 735 HA GLU 544 HA GLU 544 -5.638 -6.014 -2.296 736 1HB GLU 544 HB2 GLU 544 -3.575 -8.192 -2.373 737 2HB GLU 544 HB1 GLU 544 -4.194 -7.307 -0.987 738 1HG GLU 544 HG2 GLU 544 -5.804 -9.287 -2.583 739 2HG GLU 544 HG1 GLU 544 -4.918 -9.680 -1.113 740 H LEU 545 HN LEU 545 -3.565 -7.281 -4.864 741 HA LEU 545 HA LEU 545 -1.302 -5.748 -4.455 742 1HB LEU 545 HB2 LEU 545 -1.604 -7.592 -6.119 743 2HB LEU 545 HB1 LEU 545 -2.478 -6.464 -7.135 744 HG LEU 545 HG LEU 545 -0.527 -5.160 -7.530 745 1HD1 LEU 545 HD11 LEU 545 1.629 -5.654 -6.466 746 2HD1 LEU 545 HD12 LEU 545 0.842 -6.869 -5.461 747 3HD1 LEU 545 HD13 LEU 545 0.408 -5.169 -5.290 748 1HD2 LEU 545 HD21 LEU 545 -0.496 -6.951 -9.005 749 2HD2 LEU 545 HD22 LEU 545 -0.131 -8.119 -7.735 750 3HD2 LEU 545 HD23 LEU 545 1.115 -6.999 -8.288 751 H GLU 546 HN GLU 546 -4.111 -4.944 -6.471 752 HA GLU 546 HA GLU 546 -3.152 -2.334 -7.099 753 1HB GLU 546 HB2 GLU 546 -5.479 -1.993 -7.970 754 2HB GLU 546 HB1 GLU 546 -4.637 -3.381 -8.646 755 1HG GLU 546 HG2 GLU 546 -6.040 -4.876 -7.690 756 2HG GLU 546 HG1 GLU 546 -6.318 -3.874 -6.267 757 H ASP 547 HN ASP 547 -4.977 -3.680 -4.466 758 HA ASP 547 HA ASP 547 -6.293 -1.292 -3.684 759 1HB ASP 547 HB2 ASP 547 -6.194 -4.007 -2.829 760 2HB ASP 547 HB1 ASP 547 -5.921 -2.980 -1.426 761 H TYR 548 HN TYR 548 -3.456 -2.934 -2.261 762 HA TYR 548 HA TYR 548 -3.004 -0.710 -0.535 763 1HB TYR 548 HB2 TYR 548 -0.992 -1.951 0.182 764 2HB TYR 548 HB1 TYR 548 -2.478 -2.882 0.258 765 HD1 TYR 548 HD1 TYR 548 -2.586 -4.981 -0.683 766 HD2 TYR 548 HD2 TYR 548 0.499 -2.332 -1.896 767 HE1 TYR 548 HE1 TYR 548 -1.543 -6.793 -1.934 768 HE2 TYR 548 HE2 TYR 548 1.562 -4.146 -3.159 769 HH TYR 548 HH TYR 548 -0.001 -7.188 -3.683 770 H ILE 549 HN ILE 549 -1.411 -1.871 -3.520 771 HA ILE 549 HA ILE 549 0.713 -0.051 -3.522 772 HB ILE 549 HB ILE 549 -0.867 -0.980 -5.936 773 1HG1 ILE 549 HG12 ILE 549 1.750 -2.041 -4.871 774 2HG1 ILE 549 HG11 ILE 549 0.195 -2.778 -4.509 775 1HG2 ILE 549 HG21 ILE 549 1.539 -0.520 -6.940 776 2HG2 ILE 549 HG22 ILE 549 1.611 0.633 -5.605 777 3HG2 ILE 549 HG23 ILE 549 0.330 0.759 -6.814 778 1HD1 ILE 549 HD11 ILE 549 1.666 -3.691 -6.440 779 2HD1 ILE 549 HD12 ILE 549 1.000 -2.330 -7.342 780 3HD1 ILE 549 HD13 ILE 549 -0.078 -3.546 -6.656 781 H ARG 550 HN ARG 550 -2.618 0.306 -4.747 782 HA ARG 550 HA ARG 550 -2.386 2.946 -5.661 783 1HB ARG 550 HB2 ARG 550 -4.699 1.296 -4.678 784 2HB ARG 550 HB1 ARG 550 -4.924 2.989 -5.094 785 1HG ARG 550 HG2 ARG 550 -3.675 1.052 -7.011 786 2HG ARG 550 HG1 ARG 550 -5.424 1.245 -6.885 787 1HD ARG 550 HD2 ARG 550 -5.153 2.862 -8.414 788 2HD ARG 550 HD1 ARG 550 -4.592 3.835 -7.054 789 HE ARG 550 HE ARG 550 -2.463 3.734 -7.899 790 1HH1 ARG 550 HH11 ARG 550 -4.440 1.351 -9.509 791 2HH1 ARG 550 HH12 ARG 550 -3.232 0.963 -10.687 792 1HH2 ARG 550 HH21 ARG 550 -0.872 3.223 -9.447 793 2HH2 ARG 550 HH22 ARG 550 -1.206 2.025 -10.652 794 H HIS 551 HN HIS 551 -3.057 1.598 -2.477 795 HA HIS 551 HA HIS 551 -3.660 4.047 -1.186 796 1HB HIS 551 HB2 HIS 551 -2.847 1.313 -0.268 797 2HB HIS 551 HB1 HIS 551 -2.838 2.643 0.884 798 HD1 HIS 551 HD1 HIS 551 -4.806 0.104 0.844 799 HD2 HIS 551 HD2 HIS 551 -5.699 3.984 -0.343 800 HE1 HIS 551 HE1 HIS 551 -7.305 0.309 1.042 801 HE2 HIS 551 HE2 HIS 551 -7.830 2.640 0.241 802 H VAL 552 HN VAL 552 -0.675 2.271 -1.769 803 HA VAL 552 HA VAL 552 1.042 3.767 -0.133 804 HB VAL 552 HB VAL 552 1.676 2.352 -2.729 805 1HG1 VAL 552 HG11 VAL 552 3.349 3.799 -0.777 806 2HG1 VAL 552 HG12 VAL 552 3.613 3.489 -2.493 807 3HG1 VAL 552 HG13 VAL 552 3.956 2.230 -1.306 808 1HG2 VAL 552 HG21 VAL 552 2.655 0.748 -0.824 809 2HG2 VAL 552 HG22 VAL 552 1.017 0.595 -1.459 810 3HG2 VAL 552 HG23 VAL 552 1.298 1.446 0.061 811 H LEU 553 HN LEU 553 -0.291 4.398 -3.296 812 HA LEU 553 HA LEU 553 1.440 6.279 -4.324 813 1HB LEU 553 HB2 LEU 553 -0.411 5.525 -5.623 814 2HB LEU 553 HB1 LEU 553 -1.563 6.109 -4.440 815 HG LEU 553 HG LEU 553 -0.115 8.377 -5.254 816 1HD1 LEU 553 HD11 LEU 553 0.214 8.317 -7.475 817 2HD1 LEU 553 HD12 LEU 553 -1.204 7.310 -7.765 818 3HD1 LEU 553 HD13 LEU 553 0.304 6.574 -7.223 819 1HD2 LEU 553 HD21 LEU 553 -2.235 9.152 -6.002 820 2HD2 LEU 553 HD22 LEU 553 -2.530 8.125 -4.601 821 3HD2 LEU 553 HD23 LEU 553 -2.831 7.507 -6.224 822 H ASN 554 HN ASN 554 -1.396 6.968 -2.262 823 HA ASN 554 HA ASN 554 -1.977 8.848 -1.087 824 1HB ASN 554 HB2 ASN 554 -0.307 7.702 0.370 825 2HB ASN 554 HB1 ASN 554 0.944 8.738 -0.311 826 1HD2 ASN 554 HD21 ASN 554 1.500 9.966 1.369 827 2HD2 ASN 554 HD22 ASN 554 0.418 10.971 2.266 828 H ARG 555 HN ARG 555 -1.068 9.361 -3.816 829 HA ARG 555 HA ARG 555 -0.135 12.133 -3.467 830 1HB ARG 555 HB2 ARG 555 1.019 10.015 -5.011 831 2HB ARG 555 HB1 ARG 555 0.444 11.262 -6.108 832 1HG ARG 555 HG2 ARG 555 2.327 12.358 -5.713 833 2HG ARG 555 HG1 ARG 555 1.736 12.656 -4.077 834 1HD ARG 555 HD2 ARG 555 4.035 11.619 -4.261 835 2HD ARG 555 HD1 ARG 555 2.888 10.786 -3.214 836 HE ARG 555 HE ARG 555 3.042 8.972 -4.584 837 1HH1 ARG 555 HH11 ARG 555 4.132 11.774 -6.355 838 2HH1 ARG 555 HH12 ARG 555 4.629 10.861 -7.740 839 1HH2 ARG 555 HH21 ARG 555 3.695 7.769 -6.404 840 2HH2 ARG 555 HH22 ARG 555 4.380 8.587 -7.768 841 HA PRO 556 HA PRO 556 -3.507 13.617 -5.884 842 1HB PRO 556 HB2 PRO 556 -1.830 14.756 -8.014 843 2HB PRO 556 HB1 PRO 556 -2.848 15.578 -6.828 844 1HG PRO 556 HG2 PRO 556 -0.163 15.670 -6.702 845 2HG PRO 556 HG1 PRO 556 -1.174 15.653 -5.244 846 1HD PRO 556 HD2 PRO 556 0.353 13.411 -6.521 847 2HD PRO 556 HD1 PRO 556 0.182 13.821 -4.800 848 H LYS 557 HN LYS 557 -3.458 11.070 -6.438 849 HA LYS 557 HA LYS 557 -3.676 10.900 -9.370 850 1HB LYS 557 HB2 LYS 557 -1.875 9.487 -7.890 851 2HB LYS 557 HB1 LYS 557 -3.231 8.369 -7.931 852 1HG LYS 557 HG2 LYS 557 -2.300 7.687 -9.848 853 2HG LYS 557 HG1 LYS 557 -3.106 9.101 -10.531 854 1HD LYS 557 HD2 LYS 557 -0.263 8.995 -9.524 855 2HD LYS 557 HD1 LYS 557 -0.762 9.001 -11.216 856 1HE LYS 557 HE2 LYS 557 -1.398 11.197 -9.252 857 2HE LYS 557 HE1 LYS 557 -0.019 11.222 -10.351 858 1HZ LYS 557 HZ1 LYS 557 -1.315 11.720 -12.093 859 2HZ LYS 557 HZ2 LYS 557 -2.427 12.236 -10.928 860 3HZ LYS 557 HZ3 LYS 557 -2.571 10.695 -11.608 861 H TRP 558 HN TRP 558 -5.753 10.910 -9.843 862 HA TRP 558 HA TRP 558 -7.848 10.296 -8.138 863 1HB TRP 558 HB2 TRP 558 -9.260 10.180 -10.195 864 2HB TRP 558 HB1 TRP 558 -8.272 11.631 -10.074 865 HD1 TRP 558 HD1 TRP 558 -6.265 11.899 -11.820 866 HE1 TRP 558 HE1 TRP 558 -5.834 10.798 -14.099 867 HE3 TRP 558 HE3 TRP 558 -9.548 8.003 -11.466 868 HZ2 TRP 558 HZ2 TRP 558 -6.762 8.559 -15.564 869 HZ3 TRP 558 HZ3 TRP 558 -9.721 6.427 -13.344 870 HH2 TRP 558 HH2 TRP 558 -8.356 6.700 -15.353 871 H LEU 559 HN LEU 559 -5.926 8.155 -10.111 872 HA LEU 559 HA LEU 559 -7.619 5.994 -10.399 873 1HB LEU 559 HB2 LEU 559 -4.677 6.304 -10.118 874 2HB LEU 559 HB1 LEU 559 -5.330 4.687 -9.937 875 HG LEU 559 HG LEU 559 -6.288 6.145 -12.310 876 1HD1 LEU 559 HD11 LEU 559 -3.418 5.241 -12.125 877 2HD1 LEU 559 HD12 LEU 559 -3.966 6.913 -12.237 878 3HD1 LEU 559 HD13 LEU 559 -4.243 5.803 -13.579 879 1HD2 LEU 559 HD21 LEU 559 -5.082 3.403 -11.975 880 2HD2 LEU 559 HD22 LEU 559 -6.024 3.995 -13.343 881 3HD2 LEU 559 HD23 LEU 559 -6.795 3.773 -11.772 882 H MET 560 HN MET 560 -5.951 7.121 -7.528 883 HA MET 560 HA MET 560 -6.382 4.818 -5.926 884 1HB MET 560 HB2 MET 560 -4.986 7.111 -5.565 885 2HB MET 560 HB1 MET 560 -6.414 7.471 -4.603 886 1HG MET 560 HG2 MET 560 -4.756 4.986 -4.276 887 2HG MET 560 HG1 MET 560 -4.521 6.460 -3.339 888 1HE MET 560 HE1 MET 560 -5.415 3.208 -2.704 889 2HE MET 560 HE2 MET 560 -6.690 3.279 -3.920 890 3HE MET 560 HE3 MET 560 -7.105 3.067 -2.219 891 H LEU 561 HN LEU 561 -8.258 7.638 -6.743 892 HA LEU 561 HA LEU 561 -10.369 7.247 -4.887 893 1HB LEU 561 HB2 LEU 561 -10.130 9.421 -5.815 894 2HB LEU 561 HB1 LEU 561 -10.116 8.807 -7.451 895 HG LEU 561 HG LEU 561 -12.198 10.045 -6.720 896 1HD1 LEU 561 HD11 LEU 561 -13.421 8.920 -8.253 897 2HD1 LEU 561 HD12 LEU 561 -13.051 7.341 -7.560 898 3HD1 LEU 561 HD13 LEU 561 -11.860 8.162 -8.570 899 1HD2 LEU 561 HD21 LEU 561 -13.618 7.884 -5.622 900 2HD2 LEU 561 HD22 LEU 561 -13.221 9.422 -4.852 901 3HD2 LEU 561 HD23 LEU 561 -12.141 8.040 -4.676 902 H LYS 562 HN LYS 562 -9.614 6.059 -8.089 903 HA LYS 562 HA LYS 562 -12.113 4.988 -8.792 904 1HB LYS 562 HB2 LYS 562 -9.852 5.161 -10.137 905 2HB LYS 562 HB1 LYS 562 -9.570 3.555 -9.478 906 1HG LYS 562 HG2 LYS 562 -12.108 4.213 -10.925 907 2HG LYS 562 HG1 LYS 562 -10.643 3.753 -11.795 908 1HD LYS 562 HD2 LYS 562 -10.617 1.613 -10.859 909 2HD LYS 562 HD1 LYS 562 -11.700 2.075 -9.544 910 1HE LYS 562 HE2 LYS 562 -13.016 2.532 -12.037 911 2HE LYS 562 HE1 LYS 562 -12.359 0.896 -12.030 912 1HZ LYS 562 HZ1 LYS 562 -13.716 1.711 -9.600 913 2HZ LYS 562 HZ2 LYS 562 -13.777 0.241 -10.434 914 3HZ LYS 562 HZ3 LYS 562 -14.706 1.552 -10.963 915 H VAL 563 HN VAL 563 -9.403 3.713 -6.933 916 HA VAL 563 HA VAL 563 -10.406 1.135 -6.426 917 HB VAL 563 HB VAL 563 -8.556 2.944 -4.859 918 1HG1 VAL 563 HG11 VAL 563 -9.349 1.638 -3.114 919 2HG1 VAL 563 HG12 VAL 563 -7.965 0.700 -3.675 920 3HG1 VAL 563 HG13 VAL 563 -9.599 0.227 -4.143 921 1HG2 VAL 563 HG21 VAL 563 -7.432 2.228 -6.750 922 2HG2 VAL 563 HG22 VAL 563 -8.209 0.644 -6.742 923 3HG2 VAL 563 HG23 VAL 563 -6.961 1.020 -5.554 924 H LYS 564 HN LYS 564 -10.834 4.248 -4.869 925 HA LYS 564 HA LYS 564 -12.432 3.354 -2.701 926 1HB LYS 564 HB2 LYS 564 -11.242 5.725 -3.351 927 2HB LYS 564 HB1 LYS 564 -12.924 6.081 -3.717 928 1HG LYS 564 HG2 LYS 564 -12.724 6.745 -1.516 929 2HG LYS 564 HG1 LYS 564 -13.400 5.121 -1.369 930 1HD LYS 564 HD2 LYS 564 -10.705 4.634 -1.386 931 2HD LYS 564 HD1 LYS 564 -10.804 6.165 -0.514 932 1HE LYS 564 HE2 LYS 564 -11.143 4.805 1.258 933 2HE LYS 564 HE1 LYS 564 -12.808 4.835 0.678 934 1HZ LYS 564 HZ1 LYS 564 -10.782 2.749 0.078 935 2HZ LYS 564 HZ2 LYS 564 -12.349 2.787 -0.556 936 3HZ LYS 564 HZ3 LYS 564 -12.115 2.583 1.107 937 H GLU 565 HN GLU 565 -13.028 4.200 -6.028 938 HA GLU 565 HA GLU 565 -15.801 4.578 -5.978 939 1HB GLU 565 HB2 GLU 565 -13.812 4.399 -7.941 940 2HB GLU 565 HB1 GLU 565 -14.947 3.102 -8.315 941 1HG GLU 565 HG2 GLU 565 -16.760 4.905 -8.081 942 2HG GLU 565 HG1 GLU 565 -15.433 6.058 -8.204 943 H GLN 566 HN GLN 566 -13.812 1.697 -6.105 944 HA GLN 566 HA GLN 566 -15.968 -0.063 -6.604 945 1HB GLN 566 HB2 GLN 566 -13.107 -0.271 -6.253 946 2HB GLN 566 HB1 GLN 566 -13.939 -1.573 -5.412 947 1HG GLN 566 HG2 GLN 566 -14.483 -2.600 -7.308 948 2HG GLN 566 HG1 GLN 566 -14.990 -1.097 -8.078 949 1HE2 GLN 566 HE21 GLN 566 -13.209 -3.511 -8.788 950 2HE2 GLN 566 HE22 GLN 566 -11.811 -2.775 -9.487 951 H GLU 567 HN GLU 567 -14.083 0.635 -3.639 952 HA GLU 567 HA GLU 567 -15.667 -1.029 -1.978 953 1HB GLU 567 HB2 GLU 567 -14.062 1.377 -1.107 954 2HB GLU 567 HB1 GLU 567 -14.520 -0.010 -0.128 955 1HG GLU 567 HG2 GLU 567 -12.927 -0.585 -2.542 956 2HG GLU 567 HG1 GLU 567 -12.108 0.285 -1.246 957 H LYS 568 HN LYS 568 -15.698 2.413 -2.715 958 HA LYS 568 HA LYS 568 -17.724 3.170 -0.947 959 1HB LYS 568 HB2 LYS 568 -17.804 5.206 -2.079 960 2HB LYS 568 HB1 LYS 568 -16.149 4.668 -2.285 961 1HG LYS 568 HG2 LYS 568 -16.583 5.298 -4.413 962 2HG LYS 568 HG1 LYS 568 -17.174 3.647 -4.510 963 1HD LYS 568 HD2 LYS 568 -19.409 4.838 -3.666 964 2HD LYS 568 HD1 LYS 568 -18.667 6.205 -4.498 965 1HE LYS 568 HE2 LYS 568 -18.541 3.728 -6.028 966 2HE LYS 568 HE1 LYS 568 -20.191 4.229 -5.663 967 1HZ LYS 568 HZ1 LYS 568 -18.804 5.132 -7.742 968 2HZ LYS 568 HZ2 LYS 568 -18.413 6.322 -6.606 969 3HZ LYS 568 HZ3 LYS 568 -20.032 6.020 -6.990 970 H THR 569 HN THR 569 -17.886 2.000 -4.288 971 HA THR 569 HA THR 569 -20.628 2.454 -4.583 972 HB THR 569 HB THR 569 -19.044 1.860 -6.430 973 HG1 THR 569 HG1 THR 569 -20.643 1.021 -7.617 974 1HG2 THR 569 HG21 THR 569 -18.984 -0.716 -5.054 975 2HG2 THR 569 HG22 THR 569 -17.835 0.007 -6.173 976 3HG2 THR 569 HG23 THR 569 -19.272 -0.806 -6.788 977 H GLU 570 HN GLU 570 -18.761 -0.138 -3.148 978 HA GLU 570 HA GLU 570 -20.833 -1.994 -2.712 979 1HB GLU 570 HB2 GLU 570 -18.125 -1.854 -2.104 980 2HB GLU 570 HB1 GLU 570 -18.894 -1.812 -0.524 981 1HG GLU 570 HG2 GLU 570 -20.261 -3.833 -1.638 982 2HG GLU 570 HG1 GLU 570 -18.730 -3.990 -2.499 983 H ALA 571 HN ALA 571 -19.848 0.962 -1.181 984 HA ALA 571 HA ALA 571 -21.496 0.719 1.139 985 1HB ALA 571 HB1 ALA 571 -19.533 2.516 0.210 986 2HB ALA 571 HB2 ALA 571 -20.313 2.478 1.792 987 3HB ALA 571 HB3 ALA 571 -20.999 3.454 0.495 988 H GLU 572 HN GLU 572 -21.893 1.905 -2.149 989 HA GLU 572 HA GLU 572 -24.236 3.412 -1.741 990 1HB GLU 572 HB2 GLU 572 -22.664 2.712 -3.922 991 2HB GLU 572 HB1 GLU 572 -24.209 1.946 -4.266 992 1HG GLU 572 HG2 GLU 572 -25.322 3.942 -4.431 993 2HG GLU 572 HG1 GLU 572 -24.174 4.791 -3.396 994 H ARG 573 HN ARG 573 -23.752 0.001 -2.553 995 HA ARG 573 HA ARG 573 -26.544 -0.608 -2.483 996 1HB ARG 573 HB2 ARG 573 -25.811 -2.957 -2.740 997 2HB ARG 573 HB1 ARG 573 -25.128 -1.879 -3.949 998 1HG ARG 573 HG2 ARG 573 -23.124 -1.769 -2.265 999 2HG ARG 573 HG1 ARG 573 -23.795 -3.299 -1.702 1000 1HD ARG 573 HD2 ARG 573 -22.784 -2.603 -4.447 1001 2HD ARG 573 HD1 ARG 573 -22.178 -3.838 -3.345 1002 HE ARG 573 HE ARG 573 -24.419 -4.055 -5.140 1003 1HH1 ARG 573 HH11 ARG 573 -22.920 -5.311 -2.248 1004 2HH1 ARG 573 HH12 ARG 573 -23.697 -6.854 -2.366 1005 1HH2 ARG 573 HH21 ARG 573 -25.442 -6.083 -5.295 1006 2HH2 ARG 573 HH22 ARG 573 -25.128 -7.293 -4.096 1007 H ARG 574 HN ARG 574 -23.831 -1.251 -0.238 1008 HA ARG 574 HA ARG 574 -25.850 -2.113 1.731 1009 1HB ARG 574 HB2 ARG 574 -22.937 -2.864 1.512 1010 2HB ARG 574 HB1 ARG 574 -23.992 -3.344 2.834 1011 1HG ARG 574 HG2 ARG 574 -25.392 -4.119 0.589 1012 2HG ARG 574 HG1 ARG 574 -23.713 -4.462 0.171 1013 1HD ARG 574 HD2 ARG 574 -23.556 -5.592 2.454 1014 2HD ARG 574 HD1 ARG 574 -25.317 -5.509 2.486 1015 HE ARG 574 HE ARG 574 -23.720 -7.340 1.005 1016 1HH1 ARG 574 HH11 ARG 574 -26.724 -5.565 0.916 1017 2HH1 ARG 574 HH12 ARG 574 -27.506 -6.698 -0.134 1018 1HH2 ARG 574 HH21 ARG 574 -24.748 -8.831 -0.374 1019 2HH2 ARG 574 HH22 ARG 574 -26.385 -8.553 -0.866 1020 H LYS 575 HN LYS 575 -23.192 0.094 1.203 1021 HA LYS 575 HA LYS 575 -22.553 1.954 2.361 1022 1HB LYS 575 HB2 LYS 575 -24.883 1.247 4.154 1023 2HB LYS 575 HB1 LYS 575 -23.896 2.685 4.347 1024 1HG LYS 575 HG2 LYS 575 -25.773 3.420 3.192 1025 2HG LYS 575 HG1 LYS 575 -24.542 3.242 1.943 1026 1HD LYS 575 HD2 LYS 575 -25.477 1.112 1.275 1027 2HD LYS 575 HD1 LYS 575 -26.644 1.178 2.597 1028 1HE LYS 575 HE2 LYS 575 -26.485 3.007 0.206 1029 2HE LYS 575 HE1 LYS 575 -27.743 1.823 0.559 1030 1HZ LYS 575 HZ1 LYS 575 -27.349 4.488 1.640 1031 2HZ LYS 575 HZ2 LYS 575 -27.836 3.315 2.758 1032 3HZ LYS 575 HZ3 LYS 575 -28.780 3.620 1.389 1033 H ASP 576 HN ASP 576 -21.682 2.611 4.585 1034 HA ASP 576 HA ASP 576 -20.175 0.330 5.604 1035 1HB ASP 576 HB2 ASP 576 -19.316 2.775 4.919 1036 2HB ASP 576 HB1 ASP 576 -19.660 3.074 6.620 1037 H PHE 577 HN PHE 577 -22.014 3.082 6.933 1038 HA PHE 577 HA PHE 577 -22.395 1.517 9.396 1039 1HB PHE 577 HB2 PHE 577 -21.697 4.273 8.932 1040 2HB PHE 577 HB1 PHE 577 -23.193 4.183 9.854 1041 HD1 PHE 577 HD1 PHE 577 -20.162 2.019 9.879 1042 HD2 PHE 577 HD2 PHE 577 -22.683 4.678 12.044 1043 HE1 PHE 577 HE1 PHE 577 -18.868 1.574 11.924 1044 HE2 PHE 577 HE2 PHE 577 -21.393 4.239 14.093 1045 HZ PHE 577 HZ PHE 577 -19.483 2.685 14.034 1046 H LEU 578 HN LEU 578 -24.219 4.273 8.113 1047 HA LEU 578 HA LEU 578 -26.636 2.586 8.168 1048 1HB LEU 578 HB2 LEU 578 -26.133 5.348 9.166 1049 2HB LEU 578 HB1 LEU 578 -27.719 4.981 8.515 1050 HG LEU 578 HG LEU 578 -27.728 4.728 10.924 1051 1HD1 LEU 578 HD11 LEU 578 -29.002 2.868 10.919 1052 2HD1 LEU 578 HD12 LEU 578 -27.764 1.889 10.132 1053 3HD1 LEU 578 HD13 LEU 578 -28.771 2.975 9.174 1054 1HD2 LEU 578 HD21 LEU 578 -25.207 4.109 10.907 1055 2HD2 LEU 578 HD22 LEU 578 -25.795 2.455 10.733 1056 3HD2 LEU 578 HD23 LEU 578 -26.262 3.414 12.138 1057 H THR 579 HN THR 579 -25.152 5.456 6.689 1058 HA THR 579 HA THR 579 -26.645 4.840 4.229 1059 HB THR 579 HB THR 579 -25.928 7.662 4.936 1060 HG1 THR 579 HG1 THR 579 -27.414 7.761 6.396 1061 1HG2 THR 579 HG21 THR 579 -28.437 6.815 3.586 1062 2HG2 THR 579 HG22 THR 579 -26.925 6.813 2.679 1063 3HG2 THR 579 HG23 THR 579 -27.508 8.304 3.418 1064 H ALA 580 HN ALA 580 -25.605 5.346 2.263 1065 HA ALA 580 HA ALA 580 -22.837 4.845 2.206 1066 1HB ALA 580 HB1 ALA 580 -23.009 4.873 -0.096 1067 2HB ALA 580 HB2 ALA 580 -24.244 6.132 -0.094 1068 3HB ALA 580 HB3 ALA 580 -24.660 4.489 0.391 1069 H ALA 581 HN ALA 581 -24.476 7.702 2.909 1070 HA ALA 581 HA ALA 581 -23.078 9.725 1.698 1071 1HB ALA 581 HB1 ALA 581 -24.764 10.590 2.931 1072 2HB ALA 581 HB2 ALA 581 -23.464 10.839 4.096 1073 3HB ALA 581 HB3 ALA 581 -24.533 9.446 4.253 1074 H ARG 582 HN ARG 582 -21.991 7.612 4.281 1075 HA ARG 582 HA ARG 582 -19.814 9.218 5.140 1076 1HB ARG 582 HB2 ARG 582 -20.529 6.319 5.399 1077 2HB ARG 582 HB1 ARG 582 -18.922 6.860 5.867 1078 1HG ARG 582 HG2 ARG 582 -20.449 6.761 7.771 1079 2HG ARG 582 HG1 ARG 582 -19.878 8.404 7.472 1080 1HD ARG 582 HD2 ARG 582 -22.432 7.509 6.224 1081 2HD ARG 582 HD1 ARG 582 -22.418 7.915 7.940 1082 HE ARG 582 HE ARG 582 -21.179 9.951 6.397 1083 1HH1 ARG 582 HH11 ARG 582 -24.301 8.656 7.269 1084 2HH1 ARG 582 HH12 ARG 582 -25.127 10.161 7.044 1085 1HH2 ARG 582 HH21 ARG 582 -22.265 11.932 6.101 1086 2HH2 ARG 582 HH22 ARG 582 -23.972 12.021 6.381 1087 H ILE 583 HN ILE 583 -19.940 6.379 2.993 1088 HA ILE 583 HA ILE 583 -17.233 6.614 2.189 1089 HB ILE 583 HB ILE 583 -19.142 4.674 1.908 1090 1HG1 ILE 583 HG12 ILE 583 -16.877 4.482 0.015 1091 2HG1 ILE 583 HG11 ILE 583 -16.450 4.870 1.676 1092 1HG2 ILE 583 HG21 ILE 583 -19.270 4.300 -0.594 1093 2HG2 ILE 583 HG22 ILE 583 -18.797 5.983 -0.775 1094 3HG2 ILE 583 HG23 ILE 583 -20.292 5.576 0.062 1095 1HD1 ILE 583 HD11 ILE 583 -17.069 2.342 0.553 1096 2HD1 ILE 583 HD12 ILE 583 -18.309 2.732 1.749 1097 3HD1 ILE 583 HD13 ILE 583 -16.609 2.734 2.209 1098 H ALA 584 HN ALA 584 -20.279 7.868 0.979 1099 HA ALA 584 HA ALA 584 -19.436 8.834 -1.512 1100 1HB ALA 584 HB1 ALA 584 -21.800 8.752 -0.742 1101 2HB ALA 584 HB2 ALA 584 -21.344 10.311 -1.428 1102 3HB ALA 584 HB3 ALA 584 -21.465 10.119 0.321 1103 H LYS 585 HN LYS 585 -19.370 10.281 1.715 1104 HA LYS 585 HA LYS 585 -18.306 12.782 1.030 1105 1HB LYS 585 HB2 LYS 585 -18.590 11.171 3.469 1106 2HB LYS 585 HB1 LYS 585 -17.173 12.211 3.485 1107 1HG LYS 585 HG2 LYS 585 -18.956 13.999 2.661 1108 2HG LYS 585 HG1 LYS 585 -20.048 12.914 3.524 1109 1HD LYS 585 HD2 LYS 585 -18.313 13.066 5.435 1110 2HD LYS 585 HD1 LYS 585 -17.729 14.494 4.579 1111 1HE LYS 585 HE2 LYS 585 -19.320 15.684 5.572 1112 2HE LYS 585 HE1 LYS 585 -20.525 14.741 4.696 1113 1HZ LYS 585 HZ1 LYS 585 -20.861 13.349 6.485 1114 2HZ LYS 585 HZ2 LYS 585 -20.612 14.834 7.256 1115 3HZ LYS 585 HZ3 LYS 585 -19.363 13.695 7.193 1116 H GLU 586 HN GLU 586 -16.887 9.625 1.536 1117 HA GLU 586 HA GLU 586 -14.178 10.338 1.579 1118 1HB GLU 586 HB2 GLU 586 -15.548 7.997 1.789 1119 2HB GLU 586 HB1 GLU 586 -14.855 7.826 0.182 1120 1HG GLU 586 HG2 GLU 586 -13.305 6.835 1.613 1121 2HG GLU 586 HG1 GLU 586 -12.628 8.422 1.249 1122 H MET 587 HN MET 587 -16.426 9.848 -1.103 1123 HA MET 587 HA MET 587 -14.476 9.863 -3.175 1124 1HB MET 587 HB2 MET 587 -17.348 9.786 -3.002 1125 2HB MET 587 HB1 MET 587 -16.880 11.010 -4.172 1126 1HG MET 587 HG2 MET 587 -17.251 8.780 -5.160 1127 2HG MET 587 HG1 MET 587 -15.632 9.419 -5.442 1128 1HE MET 587 HE1 MET 587 -16.249 6.617 -1.887 1129 2HE MET 587 HE2 MET 587 -17.640 6.886 -2.942 1130 3HE MET 587 HE3 MET 587 -16.884 8.248 -2.098 1131 H ILE 588 HN ILE 588 -16.710 12.450 -2.100 1132 HA ILE 588 HA ILE 588 -15.568 14.479 -3.627 1133 HB ILE 588 HB ILE 588 -17.407 15.410 -2.720 1134 1HG1 ILE 588 HG12 ILE 588 -15.413 16.741 -1.823 1135 2HG1 ILE 588 HG11 ILE 588 -16.974 17.021 -1.058 1136 1HG2 ILE 588 HG21 ILE 588 -16.961 13.662 -0.330 1137 2HG2 ILE 588 HG22 ILE 588 -18.244 13.580 -1.534 1138 3HG2 ILE 588 HG23 ILE 588 -18.213 14.901 -0.366 1139 1HD1 ILE 588 HD11 ILE 588 -14.608 16.459 0.219 1140 2HD1 ILE 588 HD12 ILE 588 -15.462 14.915 0.239 1141 3HD1 ILE 588 HD13 ILE 588 -16.222 16.353 0.923 1142 H GLU 589 HN GLU 589 -14.517 12.925 -0.721 1143 HA GLU 589 HA GLU 589 -12.476 14.827 -0.051 1144 1HB GLU 589 HB2 GLU 589 -13.071 12.000 0.799 1145 2HB GLU 589 HB1 GLU 589 -11.590 12.805 1.297 1146 1HG GLU 589 HG2 GLU 589 -13.665 14.603 1.848 1147 2HG GLU 589 HG1 GLU 589 -14.235 13.021 2.377 1148 H MET 590 HN MET 590 -12.710 11.824 -1.843 1149 HA MET 590 HA MET 590 -9.944 11.567 -2.426 1150 1HB MET 590 HB2 MET 590 -12.434 10.202 -3.127 1151 2HB MET 590 HB1 MET 590 -11.268 10.225 -4.442 1152 1HG MET 590 HG2 MET 590 -10.885 8.231 -3.251 1153 2HG MET 590 HG1 MET 590 -9.576 9.322 -2.813 1154 1HE MET 590 HE1 MET 590 -9.930 9.959 0.850 1155 2HE MET 590 HE2 MET 590 -10.135 11.073 -0.503 1156 3HE MET 590 HE3 MET 590 -8.882 9.834 -0.563 1157 H LYS 591 HN LYS 591 -12.610 13.266 -3.898 1158 HA LYS 591 HA LYS 591 -11.353 13.771 -6.402 1159 1HB LYS 591 HB2 LYS 591 -13.783 13.906 -6.133 1160 2HB LYS 591 HB1 LYS 591 -13.596 15.242 -5.005 1161 1HG LYS 591 HG2 LYS 591 -12.588 16.585 -6.813 1162 2HG LYS 591 HG1 LYS 591 -12.887 15.253 -7.931 1163 1HD LYS 591 HD2 LYS 591 -14.665 16.837 -8.175 1164 2HD LYS 591 HD1 LYS 591 -15.312 15.414 -7.357 1165 1HE LYS 591 HE2 LYS 591 -14.417 17.042 -5.296 1166 2HE LYS 591 HE1 LYS 591 -15.141 18.162 -6.449 1167 1HZ LYS 591 HZ1 LYS 591 -16.864 17.491 -5.028 1168 2HZ LYS 591 HZ2 LYS 591 -16.420 15.860 -5.097 1169 3HZ LYS 591 HZ3 LYS 591 -17.108 16.607 -6.450 1170 H LYS 592 HN LYS 592 -11.424 15.391 -3.294 1171 HA LYS 592 HA LYS 592 -10.242 17.823 -4.172 1172 1HB LYS 592 HB2 LYS 592 -10.729 16.538 -1.516 1173 2HB LYS 592 HB1 LYS 592 -9.659 17.930 -1.612 1174 1HG LYS 592 HG2 LYS 592 -12.538 17.832 -2.490 1175 2HG LYS 592 HG1 LYS 592 -11.907 18.618 -1.041 1176 1HD LYS 592 HD2 LYS 592 -11.872 20.454 -2.344 1177 2HD LYS 592 HD1 LYS 592 -10.367 19.763 -2.953 1178 1HE LYS 592 HE2 LYS 592 -11.318 19.898 -4.972 1179 2HE LYS 592 HE1 LYS 592 -12.264 18.496 -4.476 1180 1HZ LYS 592 HZ1 LYS 592 -14.016 19.952 -3.735 1181 2HZ LYS 592 HZ2 LYS 592 -13.644 20.302 -5.347 1182 3HZ LYS 592 HZ3 LYS 592 -13.099 21.324 -4.113 1183 H MET 593 HN MET 593 -8.932 14.891 -2.661 1184 HA MET 593 HA MET 593 -6.292 15.797 -2.404 1185 1HB MET 593 HB2 MET 593 -5.777 13.252 -2.519 1186 2HB MET 593 HB1 MET 593 -6.701 13.894 -1.171 1187 1HG MET 593 HG2 MET 593 -8.519 12.726 -1.704 1188 2HG MET 593 HG1 MET 593 -8.338 13.049 -3.422 1189 1HE MET 593 HE1 MET 593 -7.773 9.597 -4.600 1190 2HE MET 593 HE2 MET 593 -7.839 11.294 -5.073 1191 3HE MET 593 HE3 MET 593 -9.149 10.591 -4.127 1192 H LEU 594 HN LEU 594 -7.759 13.833 -5.001 1193 HA LEU 594 HA LEU 594 -5.375 13.800 -6.560 1194 1HB LEU 594 HB2 LEU 594 -6.725 12.794 -8.290 1195 2HB LEU 594 HB1 LEU 594 -7.111 12.070 -6.740 1196 HG LEU 594 HG LEU 594 -9.016 13.938 -6.782 1197 1HD1 LEU 594 HD11 LEU 594 -8.180 13.547 -9.624 1198 2HD1 LEU 594 HD12 LEU 594 -8.713 15.011 -8.796 1199 3HD1 LEU 594 HD13 LEU 594 -9.888 13.774 -9.243 1200 1HD2 LEU 594 HD21 LEU 594 -8.982 11.268 -6.856 1201 2HD2 LEU 594 HD22 LEU 594 -9.626 11.582 -8.467 1202 3HD2 LEU 594 HD23 LEU 594 -10.460 12.209 -7.047 1203 H SER 595 HN SER 595 -8.117 15.939 -6.324 1204 HA SER 595 HA SER 595 -7.170 17.460 -8.650 1205 1HB SER 595 HB2 SER 595 -9.652 16.704 -8.294 1206 2HB SER 595 HB1 SER 595 -9.719 18.082 -7.194 1207 HG SER 595 HG SER 595 -8.835 19.308 -9.045 1208 H SER 596 HN SER 596 -5.632 18.858 -8.039 1209 HA SER 596 HA SER 596 -5.224 19.954 -5.533 1210 1HB SER 596 HB2 SER 596 -3.550 20.035 -7.332 1211 2HB SER 596 HB1 SER 596 -4.545 21.197 -8.209 1212 HG SER 596 HG SER 596 -3.526 22.645 -7.092 1213 H SER 597 HN SER 597 -5.983 21.670 -4.422 1214 HA SER 597 HA SER 597 -7.805 23.533 -5.763 1215 1HB SER 597 HB2 SER 597 -8.459 21.682 -3.527 1216 2HB SER 597 HB1 SER 597 -9.112 23.318 -3.434 1217 HG SER 597 HG SER 597 -10.595 22.535 -4.704 Start of MODEL 2 1 1H MET 452 HT1 MET 452 2.427 21.332 6.529 2 2H MET 452 HT2 MET 452 2.742 19.745 5.954 3 3H MET 452 HT3 MET 452 2.630 21.053 4.850 4 HA MET 452 HA MET 452 4.586 22.009 5.622 5 1HB MET 452 HB2 MET 452 4.485 19.856 7.745 6 2HB MET 452 HB1 MET 452 5.824 20.971 7.512 7 1HG MET 452 HG2 MET 452 3.633 22.631 7.723 8 2HG MET 452 HG1 MET 452 3.298 21.350 8.884 9 1HE MET 452 HE1 MET 452 3.812 24.409 8.800 10 2HE MET 452 HE2 MET 452 5.381 24.989 9.358 11 3HE MET 452 HE3 MET 452 4.160 24.487 10.528 12 H ALA 453 HN ALA 453 4.381 18.471 6.067 13 HA ALA 453 HA ALA 453 6.755 17.953 4.599 14 1HB ALA 453 HB1 ALA 453 4.773 15.785 4.804 15 2HB ALA 453 HB2 ALA 453 5.279 16.507 6.331 16 3HB ALA 453 HB3 ALA 453 6.480 15.811 5.242 17 H LYS 454 HN LYS 454 3.306 17.708 3.795 18 HA LYS 454 HA LYS 454 2.205 17.576 1.808 19 1HB LYS 454 HB2 LYS 454 3.777 19.649 1.512 20 2HB LYS 454 HB1 LYS 454 4.633 18.604 0.386 21 1HG LYS 454 HG2 LYS 454 3.148 19.016 -1.200 22 2HG LYS 454 HG1 LYS 454 1.826 18.489 -0.156 23 1HD LYS 454 HD2 LYS 454 1.351 20.622 0.548 24 2HD LYS 454 HD1 LYS 454 3.001 21.190 0.286 25 1HE LYS 454 HE2 LYS 454 0.957 20.579 -1.845 26 2HE LYS 454 HE1 LYS 454 1.488 22.181 -1.337 27 1HZ LYS 454 HZ1 LYS 454 2.800 20.257 -3.062 28 2HZ LYS 454 HZ2 LYS 454 3.817 21.043 -1.963 29 3HZ LYS 454 HZ3 LYS 454 2.893 21.946 -3.054 30 H LYS 455 HN LYS 455 3.369 15.223 2.615 31 HA LYS 455 HA LYS 455 4.007 13.991 0.029 32 1HB LYS 455 HB2 LYS 455 5.870 14.328 2.087 33 2HB LYS 455 HB1 LYS 455 5.370 12.646 2.206 34 1HG LYS 455 HG2 LYS 455 5.768 12.732 -0.411 35 2HG LYS 455 HG1 LYS 455 6.854 14.043 0.054 36 1HD LYS 455 HD2 LYS 455 7.625 12.263 1.861 37 2HD LYS 455 HD1 LYS 455 7.011 11.135 0.651 38 1HE LYS 455 HE2 LYS 455 8.997 13.322 0.060 39 2HE LYS 455 HE1 LYS 455 9.451 11.665 0.456 40 1HZ LYS 455 HZ1 LYS 455 7.707 11.241 -1.503 41 2HZ LYS 455 HZ2 LYS 455 9.366 11.432 -1.766 42 3HZ LYS 455 HZ3 LYS 455 8.319 12.742 -1.991 43 H LEU 456 HN LEU 456 2.510 12.530 -0.403 44 HA LEU 456 HA LEU 456 0.974 10.868 -0.189 45 1HB LEU 456 HB2 LEU 456 2.479 10.319 2.371 46 2HB LEU 456 HB1 LEU 456 1.286 9.248 1.661 47 HG LEU 456 HG LEU 456 3.542 10.021 -0.091 48 1HD1 LEU 456 HD11 LEU 456 3.905 8.690 2.513 49 2HD1 LEU 456 HD12 LEU 456 5.055 9.587 1.521 50 3HD1 LEU 456 HD13 LEU 456 4.673 7.909 1.132 51 1HD2 LEU 456 HD21 LEU 456 2.362 7.317 0.496 52 2HD2 LEU 456 HD22 LEU 456 3.276 7.826 -0.925 53 3HD2 LEU 456 HD23 LEU 456 1.648 8.446 -0.655 54 H LEU 457 HN LEU 457 -0.588 9.863 1.663 55 HA LEU 457 HA LEU 457 -1.475 11.597 3.698 56 1HB LEU 457 HB2 LEU 457 -2.215 12.522 1.229 57 2HB LEU 457 HB1 LEU 457 -3.614 11.572 1.694 58 HG LEU 457 HG LEU 457 -3.780 12.885 3.789 59 1HD1 LEU 457 HD11 LEU 457 -2.494 15.004 3.919 60 2HD1 LEU 457 HD12 LEU 457 -1.513 14.444 2.564 61 3HD1 LEU 457 HD13 LEU 457 -1.499 13.557 4.088 62 1HD2 LEU 457 HD21 LEU 457 -4.694 14.868 2.779 63 2HD2 LEU 457 HD22 LEU 457 -5.042 13.485 1.742 64 3HD2 LEU 457 HD23 LEU 457 -3.749 14.605 1.313 65 HA PRO 458 HA PRO 458 -4.573 7.972 3.138 66 1HB PRO 458 HB2 PRO 458 -3.843 6.522 0.724 67 2HB PRO 458 HB1 PRO 458 -5.376 7.302 1.123 68 1HG PRO 458 HG2 PRO 458 -3.723 8.221 -0.824 69 2HG PRO 458 HG1 PRO 458 -4.777 9.284 0.127 70 1HD PRO 458 HD2 PRO 458 -1.850 8.725 0.471 71 2HD PRO 458 HD1 PRO 458 -2.712 10.278 0.520 72 H ALA 459 HN ALA 459 -4.036 5.284 2.227 73 HA ALA 459 HA ALA 459 -2.474 4.287 4.276 74 1HB ALA 459 HB1 ALA 459 -2.485 2.756 1.737 75 2HB ALA 459 HB2 ALA 459 -4.047 3.140 2.461 76 3HB ALA 459 HB3 ALA 459 -2.849 2.230 3.380 77 H PHE 460 HN PHE 460 -0.374 4.478 4.689 78 HA PHE 460 HA PHE 460 1.494 4.632 2.418 79 1HB PHE 460 HB2 PHE 460 2.750 5.908 4.585 80 2HB PHE 460 HB1 PHE 460 2.144 6.653 3.112 81 HD1 PHE 460 HD1 PHE 460 0.583 5.325 6.248 82 HD2 PHE 460 HD2 PHE 460 0.957 8.560 3.508 83 HE1 PHE 460 HE1 PHE 460 -1.025 6.623 7.572 84 HE2 PHE 460 HE2 PHE 460 -0.657 9.865 4.829 85 HZ PHE 460 HZ PHE 460 -1.650 8.898 6.865 86 H GLN 461 HN GLN 461 2.159 4.527 5.889 87 HA GLN 461 HA GLN 461 4.198 2.634 5.678 88 1HB GLN 461 HB2 GLN 461 4.080 4.067 7.599 89 2HB GLN 461 HB1 GLN 461 2.486 3.462 8.024 90 1HG GLN 461 HG2 GLN 461 4.435 1.330 7.890 91 2HG GLN 461 HG1 GLN 461 4.918 2.595 9.018 92 1HE2 GLN 461 HE21 GLN 461 2.623 0.107 8.311 93 2HE2 GLN 461 HE22 GLN 461 1.825 0.115 9.843 94 H ASN 462 HN ASN 462 0.884 2.180 6.922 95 HA ASN 462 HA ASN 462 1.027 -0.572 7.306 96 1HB ASN 462 HB2 ASN 462 -0.839 1.252 7.851 97 2HB ASN 462 HB1 ASN 462 -1.550 0.601 6.377 98 1HD2 ASN 462 HD21 ASN 462 -2.652 -1.242 6.481 99 2HD2 ASN 462 HD22 ASN 462 -2.753 -2.265 7.869 100 H ALA 463 HN ALA 463 -0.087 1.236 4.453 101 HA ALA 463 HA ALA 463 -0.798 -0.990 2.898 102 1HB ALA 463 HB1 ALA 463 -0.292 0.694 0.964 103 2HB ALA 463 HB2 ALA 463 -0.119 1.851 2.284 104 3HB ALA 463 HB3 ALA 463 -1.640 0.985 2.064 105 H GLU 464 HN GLU 464 2.185 0.958 2.814 106 HA GLU 464 HA GLU 464 3.537 -0.572 0.917 107 1HB GLU 464 HB2 GLU 464 4.158 1.718 1.821 108 2HB GLU 464 HB1 GLU 464 4.869 0.884 3.196 109 1HG GLU 464 HG2 GLU 464 6.140 -0.446 1.329 110 2HG GLU 464 HG1 GLU 464 5.764 0.980 0.362 111 H ARG 465 HN ARG 465 3.161 -1.059 4.372 112 HA ARG 465 HA ARG 465 5.248 -2.905 4.751 113 1HB ARG 465 HB2 ARG 465 3.372 -1.699 6.355 114 2HB ARG 465 HB1 ARG 465 2.869 -3.381 6.387 115 1HG ARG 465 HG2 ARG 465 4.596 -3.996 7.660 116 2HG ARG 465 HG1 ARG 465 5.742 -3.005 6.754 117 1HD ARG 465 HD2 ARG 465 5.798 -1.679 8.548 118 2HD ARG 465 HD1 ARG 465 4.189 -1.143 8.067 119 HE ARG 465 HE ARG 465 4.865 -2.849 10.286 120 1HH1 ARG 465 HH11 ARG 465 2.338 -1.852 8.093 121 2HH1 ARG 465 HH12 ARG 465 1.057 -2.315 9.162 122 1HH2 ARG 465 HH21 ARG 465 3.179 -3.458 11.692 123 2HH2 ARG 465 HH22 ARG 465 1.534 -3.226 11.204 124 H LEU 466 HN LEU 466 1.759 -3.511 4.261 125 HA LEU 466 HA LEU 466 2.008 -6.294 4.166 126 1HB LEU 466 HB2 LEU 466 -0.098 -4.998 2.526 127 2HB LEU 466 HB1 LEU 466 -0.197 -6.399 3.564 128 HG LEU 466 HG LEU 466 -0.221 -3.501 4.377 129 1HD1 LEU 466 HD11 LEU 466 -2.343 -4.618 5.552 130 2HD1 LEU 466 HD12 LEU 466 -2.210 -5.668 4.141 131 3HD1 LEU 466 HD13 LEU 466 -2.393 -3.927 3.931 132 1HD2 LEU 466 HD21 LEU 466 1.177 -5.035 5.875 133 2HD2 LEU 466 HD22 LEU 466 -0.351 -5.815 6.282 134 3HD2 LEU 466 HD23 LEU 466 -0.113 -4.105 6.637 135 H LEU 467 HN LEU 467 2.568 -3.842 1.722 136 HA LEU 467 HA LEU 467 2.609 -5.638 -0.486 137 1HB LEU 467 HB2 LEU 467 2.737 -2.932 -0.331 138 2HB LEU 467 HB1 LEU 467 4.430 -3.306 -0.595 139 HG LEU 467 HG LEU 467 2.296 -4.427 -2.399 140 1HD1 LEU 467 HD11 LEU 467 3.763 -2.105 -3.405 141 2HD1 LEU 467 HD12 LEU 467 2.622 -1.738 -2.109 142 3HD1 LEU 467 HD13 LEU 467 2.064 -2.542 -3.575 143 1HD2 LEU 467 HD21 LEU 467 4.430 -5.486 -2.609 144 2HD2 LEU 467 HD22 LEU 467 5.244 -3.925 -2.674 145 3HD2 LEU 467 HD23 LEU 467 4.205 -4.427 -4.005 146 H LEU 468 HN LEU 468 4.925 -4.610 1.948 147 HA LEU 468 HA LEU 468 7.295 -5.631 0.919 148 1HB LEU 468 HB2 LEU 468 6.446 -5.993 3.790 149 2HB LEU 468 HB1 LEU 468 8.077 -5.874 3.165 150 HG LEU 468 HG LEU 468 6.056 -3.654 3.348 151 1HD1 LEU 468 HD11 LEU 468 7.071 -3.017 5.242 152 2HD1 LEU 468 HD12 LEU 468 8.676 -3.349 4.599 153 3HD1 LEU 468 HD13 LEU 468 7.715 -4.659 5.286 154 1HD2 LEU 468 HD21 LEU 468 8.635 -3.882 1.888 155 2HD2 LEU 468 HD22 LEU 468 8.242 -2.351 2.672 156 3HD2 LEU 468 HD23 LEU 468 7.160 -3.020 1.450 157 H ALA 469 HN ALA 469 4.678 -7.181 2.681 158 HA ALA 469 HA ALA 469 5.687 -9.775 2.822 159 1HB ALA 469 HB1 ALA 469 3.629 -8.936 3.961 160 2HB ALA 469 HB2 ALA 469 3.419 -10.494 3.162 161 3HB ALA 469 HB3 ALA 469 2.793 -9.027 2.411 162 H HIS 470 HN HIS 470 3.787 -8.195 0.287 163 HA HIS 470 HA HIS 470 3.424 -10.370 -1.410 164 1HB HIS 470 HB2 HIS 470 3.735 -7.433 -2.036 165 2HB HIS 470 HB1 HIS 470 3.272 -8.634 -3.234 166 HD1 HIS 470 HD1 HIS 470 0.924 -7.826 -3.641 167 HD2 HIS 470 HD2 HIS 470 1.713 -8.543 0.373 168 HE1 HIS 470 HE1 HIS 470 -1.299 -7.682 -2.485 169 HE2 HIS 470 HE2 HIS 470 -0.812 -8.203 -0.069 170 H MET 471 HN MET 471 5.963 -7.875 -1.642 171 HA MET 471 HA MET 471 7.363 -9.219 -3.705 172 1HB MET 471 HB2 MET 471 8.778 -7.293 -1.967 173 2HB MET 471 HB1 MET 471 8.845 -7.486 -3.703 174 1HG MET 471 HG2 MET 471 7.479 -5.763 -3.913 175 2HG MET 471 HG1 MET 471 6.217 -6.707 -3.139 176 1HE MET 471 HE1 MET 471 9.119 -4.622 -0.312 177 2HE MET 471 HE2 MET 471 9.544 -5.567 -1.740 178 3HE MET 471 HE3 MET 471 8.814 -6.363 -0.345 179 H MET 472 HN MET 472 7.644 -9.293 -0.220 180 HA MET 472 HA MET 472 10.164 -10.333 0.154 181 1HB MET 472 HB2 MET 472 7.715 -10.210 1.646 182 2HB MET 472 HB1 MET 472 8.451 -11.790 1.875 183 1HG MET 472 HG2 MET 472 9.559 -10.742 3.515 184 2HG MET 472 HG1 MET 472 10.609 -10.227 2.196 185 1HE MET 472 HE1 MET 472 8.112 -9.434 4.833 186 2HE MET 472 HE2 MET 472 8.208 -7.676 4.981 187 3HE MET 472 HE3 MET 472 9.630 -8.662 5.320 188 H ARG 473 HN ARG 473 7.774 -11.701 -1.764 189 HA ARG 473 HA ARG 473 8.862 -14.410 -1.419 190 1HB ARG 473 HB2 ARG 473 6.400 -14.059 -1.082 191 2HB ARG 473 HB1 ARG 473 6.286 -13.657 -2.790 192 1HG ARG 473 HG2 ARG 473 6.691 -15.817 -3.468 193 2HG ARG 473 HG1 ARG 473 7.534 -16.238 -1.976 194 1HD ARG 473 HD2 ARG 473 5.041 -15.630 -1.054 195 2HD ARG 473 HD1 ARG 473 4.678 -16.341 -2.626 196 HE ARG 473 HE ARG 473 5.548 -17.716 -0.300 197 1HH1 ARG 473 HH11 ARG 473 5.827 -17.720 -3.779 198 2HH1 ARG 473 HH12 ARG 473 6.145 -19.421 -3.876 199 1HH2 ARG 473 HH21 ARG 473 5.966 -19.953 -0.426 200 2HH2 ARG 473 HH22 ARG 473 6.224 -20.687 -1.973 201 H SER 474 HN SER 474 7.520 -12.439 -4.124 202 HA SER 474 HA SER 474 9.452 -13.814 -5.877 203 1HB SER 474 HB2 SER 474 7.211 -12.405 -7.165 204 2HB SER 474 HB1 SER 474 7.868 -14.013 -7.472 205 HG SER 474 HG SER 474 6.222 -14.728 -6.401 206 H ARG 475 HN ARG 475 10.759 -12.746 -7.239 207 HA ARG 475 HA ARG 475 11.507 -10.090 -6.660 208 1HB ARG 475 HB2 ARG 475 13.116 -10.325 -8.428 209 2HB ARG 475 HB1 ARG 475 13.021 -11.850 -7.560 210 1HG ARG 475 HG2 ARG 475 11.702 -12.833 -9.306 211 2HG ARG 475 HG1 ARG 475 11.587 -11.284 -10.145 212 1HD ARG 475 HD2 ARG 475 14.321 -12.210 -9.576 213 2HD ARG 475 HD1 ARG 475 13.413 -13.204 -10.710 214 HE ARG 475 HE ARG 475 13.378 -11.435 -12.220 215 1HH1 ARG 475 HH11 ARG 475 14.896 -10.469 -9.222 216 2HH1 ARG 475 HH12 ARG 475 15.571 -9.023 -9.891 217 1HH2 ARG 475 HH21 ARG 475 14.267 -9.531 -13.090 218 2HH2 ARG 475 HH22 ARG 475 15.216 -8.490 -12.082 219 H ASP 476 HN ASP 476 9.136 -11.346 -8.858 220 HA ASP 476 HA ASP 476 9.143 -9.194 -10.709 221 1HB ASP 476 HB2 ASP 476 7.995 -11.646 -10.707 222 2HB ASP 476 HB1 ASP 476 6.608 -10.660 -10.254 223 H VAL 477 HN VAL 477 7.093 -10.033 -7.952 224 HA VAL 477 HA VAL 477 5.544 -7.714 -8.071 225 HB VAL 477 HB VAL 477 4.608 -9.412 -6.763 226 1HG1 VAL 477 HG11 VAL 477 5.866 -10.264 -4.698 227 2HG1 VAL 477 HG12 VAL 477 7.293 -9.584 -5.474 228 3HG1 VAL 477 HG13 VAL 477 6.368 -10.844 -6.286 229 1HG2 VAL 477 HG21 VAL 477 5.469 -8.037 -4.347 230 2HG2 VAL 477 HG22 VAL 477 3.868 -8.155 -5.074 231 3HG2 VAL 477 HG23 VAL 477 5.002 -6.929 -5.637 232 H ALA 478 HN ALA 478 8.621 -8.473 -6.597 233 HA ALA 478 HA ALA 478 9.020 -6.236 -4.989 234 1HB ALA 478 HB1 ALA 478 11.145 -7.575 -6.656 235 2HB ALA 478 HB2 ALA 478 10.520 -8.236 -5.145 236 3HB ALA 478 HB3 ALA 478 11.363 -6.686 -5.148 237 H LEU 479 HN LEU 479 9.520 -6.662 -8.473 238 HA LEU 479 HA LEU 479 10.640 -4.113 -8.940 239 1HB LEU 479 HB2 LEU 479 10.486 -4.615 -11.169 240 2HB LEU 479 HB1 LEU 479 10.352 -6.230 -10.498 241 HG LEU 479 HG LEU 479 7.755 -5.593 -10.561 242 1HD1 LEU 479 HD11 LEU 479 8.832 -4.193 -12.995 243 2HD1 LEU 479 HD12 LEU 479 8.353 -3.344 -11.526 244 3HD1 LEU 479 HD13 LEU 479 7.162 -4.277 -12.433 245 1HD2 LEU 479 HD21 LEU 479 7.615 -7.201 -12.142 246 2HD2 LEU 479 HD22 LEU 479 9.339 -7.377 -11.814 247 3HD2 LEU 479 HD23 LEU 479 8.797 -6.423 -13.193 248 H VAL 480 HN VAL 480 7.361 -5.315 -8.667 249 HA VAL 480 HA VAL 480 5.984 -3.053 -9.619 250 HB VAL 480 HB VAL 480 5.004 -4.987 -7.527 251 1HG1 VAL 480 HG11 VAL 480 3.261 -3.580 -7.536 252 2HG1 VAL 480 HG12 VAL 480 2.878 -4.298 -9.101 253 3HG1 VAL 480 HG13 VAL 480 3.787 -2.789 -9.021 254 1HG2 VAL 480 HG21 VAL 480 4.951 -5.187 -10.536 255 2HG2 VAL 480 HG22 VAL 480 4.022 -6.222 -9.450 256 3HG2 VAL 480 HG23 VAL 480 5.785 -6.260 -9.411 257 H VAL 481 HN VAL 481 7.155 -3.871 -6.391 258 HA VAL 481 HA VAL 481 5.851 -1.728 -5.105 259 HB VAL 481 HB VAL 481 6.496 -3.573 -3.769 260 1HG1 VAL 481 HG11 VAL 481 8.835 -4.200 -3.384 261 2HG1 VAL 481 HG12 VAL 481 9.332 -3.032 -4.600 262 3HG1 VAL 481 HG13 VAL 481 8.336 -4.414 -5.059 263 1HG2 VAL 481 HG21 VAL 481 7.052 -2.385 -1.951 264 2HG2 VAL 481 HG22 VAL 481 6.989 -1.002 -3.042 265 3HG2 VAL 481 HG23 VAL 481 8.533 -1.772 -2.684 266 H GLN 482 HN GLN 482 9.236 -2.120 -6.148 267 HA GLN 482 HA GLN 482 10.070 0.426 -5.273 268 1HB GLN 482 HB2 GLN 482 11.551 -1.533 -5.739 269 2HB GLN 482 HB1 GLN 482 11.321 -1.232 -7.456 270 1HG GLN 482 HG2 GLN 482 13.430 -0.317 -6.542 271 2HG GLN 482 HG1 GLN 482 12.396 0.890 -7.303 272 1HE2 GLN 482 HE21 GLN 482 12.953 2.689 -6.236 273 2HE2 GLN 482 HE22 GLN 482 12.826 2.903 -4.527 274 H GLU 483 HN GLU 483 9.186 -0.717 -8.517 275 HA GLU 483 HA GLU 483 9.708 1.754 -9.782 276 1HB GLU 483 HB2 GLU 483 8.284 -0.748 -10.593 277 2HB GLU 483 HB1 GLU 483 8.252 0.669 -11.632 278 1HG GLU 483 HG2 GLU 483 10.731 0.671 -11.617 279 2HG GLU 483 HG1 GLU 483 10.685 -0.837 -10.706 280 H ARG 484 HN ARG 484 6.618 0.293 -8.733 281 HA ARG 484 HA ARG 484 5.294 2.776 -9.538 282 1HB ARG 484 HB2 ARG 484 4.115 0.107 -8.783 283 2HB ARG 484 HB1 ARG 484 3.201 1.508 -9.328 284 1HG ARG 484 HG2 ARG 484 3.862 1.280 -11.494 285 2HG ARG 484 HG1 ARG 484 5.396 0.523 -11.062 286 1HD ARG 484 HD2 ARG 484 3.862 -1.056 -12.148 287 2HD ARG 484 HD1 ARG 484 4.253 -1.539 -10.498 288 HE ARG 484 HE ARG 484 1.868 0.000 -10.576 289 1HH1 ARG 484 HH11 ARG 484 3.124 -3.185 -11.253 290 2HH1 ARG 484 HH12 ARG 484 1.605 -3.976 -10.995 291 1HH2 ARG 484 HH21 ARG 484 -0.130 -1.038 -10.236 292 2HH2 ARG 484 HH22 ARG 484 -0.242 -2.756 -10.419 293 H ILE 485 HN ILE 485 6.585 1.567 -6.706 294 HA ILE 485 HA ILE 485 4.951 3.430 -5.189 295 HB ILE 485 HB ILE 485 3.705 1.940 -4.155 296 1HG1 ILE 485 HG12 ILE 485 6.315 0.823 -3.113 297 2HG1 ILE 485 HG11 ILE 485 5.277 2.017 -2.336 298 1HG2 ILE 485 HG21 ILE 485 4.862 0.305 -6.114 299 2HG2 ILE 485 HG22 ILE 485 3.368 0.039 -5.220 300 3HG2 ILE 485 HG23 ILE 485 4.880 -0.621 -4.618 301 1HD1 ILE 485 HD11 ILE 485 5.136 -0.882 -2.312 302 2HD1 ILE 485 HD12 ILE 485 3.591 -0.107 -2.730 303 3HD1 ILE 485 HD13 ILE 485 4.412 0.302 -1.217 304 H GLY 486 HN GLY 486 5.826 3.822 -2.966 305 1HA GLY 486 HA2 GLY 486 8.674 3.194 -2.693 306 2HA GLY 486 HA1 GLY 486 8.224 4.888 -2.814 307 H GLY 487 HN GLY 487 8.491 5.740 -0.848 308 1HA GLY 487 HA2 GLY 487 6.822 4.838 1.314 309 2HA GLY 487 HA1 GLY 487 8.528 4.520 1.593 310 H ARG 488 HN ARG 488 8.249 5.950 3.446 311 HA ARG 488 HA ARG 488 8.956 8.666 2.742 312 1HB ARG 488 HB2 ARG 488 6.308 8.231 3.155 313 2HB ARG 488 HB1 ARG 488 6.833 8.582 4.796 314 1HG ARG 488 HG2 ARG 488 8.040 10.595 3.487 315 2HG ARG 488 HG1 ARG 488 6.636 10.348 2.447 316 1HD ARG 488 HD2 ARG 488 5.862 11.895 3.989 317 2HD ARG 488 HD1 ARG 488 5.294 10.366 4.657 318 HE ARG 488 HE ARG 488 7.679 10.709 5.874 319 1HH1 ARG 488 HH11 ARG 488 4.893 12.775 5.493 320 2HH1 ARG 488 HH12 ARG 488 5.150 13.608 6.990 321 1HH2 ARG 488 HH21 ARG 488 8.018 11.803 7.843 322 2HH2 ARG 488 HH22 ARG 488 6.924 13.056 8.324 323 H PHE 489 HN PHE 489 9.285 9.962 4.890 324 HA PHE 489 HA PHE 489 11.279 8.638 6.363 325 1HB PHE 489 HB2 PHE 489 9.782 11.130 7.193 326 2HB PHE 489 HB1 PHE 489 11.391 10.637 7.712 327 HD1 PHE 489 HD1 PHE 489 9.666 12.774 5.607 328 HD2 PHE 489 HD2 PHE 489 13.051 10.196 5.653 329 HE1 PHE 489 HE1 PHE 489 10.652 14.043 3.744 330 HE2 PHE 489 HE2 PHE 489 14.044 11.460 3.791 331 HZ PHE 489 HZ PHE 489 12.846 13.387 2.834 332 H ASN 490 HN ASN 490 10.865 9.313 9.020 333 HA ASN 490 HA ASN 490 9.919 8.602 10.965 334 1HB ASN 490 HB2 ASN 490 7.702 9.059 9.258 335 2HB ASN 490 HB1 ASN 490 7.403 7.533 10.083 336 1HD2 ASN 490 HD21 ASN 490 8.501 10.839 10.734 337 2HD2 ASN 490 HD22 ASN 490 7.700 10.987 12.259 338 H ILE 491 HN ILE 491 8.490 6.391 8.562 339 HA ILE 491 HA ILE 491 9.460 4.124 10.126 340 HB ILE 491 HB ILE 491 8.086 2.776 8.494 341 1HG1 ILE 491 HG12 ILE 491 6.565 5.196 7.738 342 2HG1 ILE 491 HG11 ILE 491 8.129 5.010 6.951 343 1HG2 ILE 491 HG21 ILE 491 7.234 4.508 10.630 344 2HG2 ILE 491 HG22 ILE 491 6.706 2.872 10.233 345 3HG2 ILE 491 HG23 ILE 491 5.929 4.259 9.470 346 1HD1 ILE 491 HD11 ILE 491 7.307 3.499 5.564 347 2HD1 ILE 491 HD12 ILE 491 5.708 3.833 6.230 348 3HD1 ILE 491 HD13 ILE 491 6.689 2.530 6.902 349 H GLU 492 HN GLU 492 11.695 4.742 9.447 350 HA GLU 492 HA GLU 492 12.537 4.484 6.762 351 1HB GLU 492 HB2 GLU 492 13.849 5.675 8.459 352 2HB GLU 492 HB1 GLU 492 14.128 4.162 9.312 353 1HG GLU 492 HG2 GLU 492 14.932 3.842 6.599 354 2HG GLU 492 HG1 GLU 492 15.652 5.319 7.239 355 H GLU 493 HN GLU 493 12.301 2.178 9.425 356 HA GLU 493 HA GLU 493 13.732 0.070 8.280 357 1HB GLU 493 HB2 GLU 493 11.294 -0.304 10.009 358 2HB GLU 493 HB1 GLU 493 12.709 -1.340 9.891 359 1HG GLU 493 HG2 GLU 493 12.469 1.336 11.221 360 2HG GLU 493 HG1 GLU 493 12.907 -0.214 11.936 361 H HIS 494 HN HIS 494 10.216 0.663 8.201 362 HA HIS 494 HA HIS 494 9.602 -1.492 6.488 363 1HB HIS 494 HB2 HIS 494 8.025 1.076 6.600 364 2HB HIS 494 HB1 HIS 494 7.433 -0.554 6.302 365 HD1 HIS 494 HD1 HIS 494 6.528 1.524 8.608 366 HD2 HIS 494 HD2 HIS 494 8.903 -1.857 9.043 367 HE1 HIS 494 HE1 HIS 494 6.311 0.857 11.023 368 HE2 HIS 494 HE2 HIS 494 7.733 -1.209 11.258 369 H ARG 495 HN ARG 495 9.834 1.995 5.775 370 HA ARG 495 HA ARG 495 9.593 1.863 3.019 371 1HB ARG 495 HB2 ARG 495 9.619 3.975 4.297 372 2HB ARG 495 HB1 ARG 495 11.333 3.753 4.621 373 1HG ARG 495 HG2 ARG 495 10.373 3.811 1.799 374 2HG ARG 495 HG1 ARG 495 10.542 5.321 2.698 375 1HD ARG 495 HD2 ARG 495 12.860 3.662 3.082 376 2HD ARG 495 HD1 ARG 495 12.547 3.884 1.361 377 HE ARG 495 HE ARG 495 13.443 5.871 3.231 378 1HH1 ARG 495 HH11 ARG 495 11.772 5.342 0.212 379 2HH1 ARG 495 HH12 ARG 495 12.116 6.924 -0.400 380 1HH2 ARG 495 HH21 ARG 495 13.896 7.953 2.427 381 2HH2 ARG 495 HH22 ARG 495 13.323 8.407 0.857 382 H ALA 496 HN ALA 496 12.323 1.203 5.103 383 HA ALA 496 HA ALA 496 14.298 1.086 3.076 384 1HB ALA 496 HB1 ALA 496 14.207 -0.208 5.796 385 2HB ALA 496 HB2 ALA 496 15.009 1.300 5.356 386 3HB ALA 496 HB3 ALA 496 15.607 -0.235 4.721 387 H LEU 497 HN LEU 497 11.960 -1.213 4.354 388 HA LEU 497 HA LEU 497 13.041 -3.546 3.246 389 1HB LEU 497 HB2 LEU 497 10.817 -2.968 4.732 390 2HB LEU 497 HB1 LEU 497 10.116 -3.401 3.182 391 HG LEU 497 HG LEU 497 12.105 -5.165 4.591 392 1HD1 LEU 497 HD11 LEU 497 10.510 -6.165 5.840 393 2HD1 LEU 497 HD12 LEU 497 9.231 -5.838 4.675 394 3HD1 LEU 497 HD13 LEU 497 9.781 -4.563 5.760 395 1HD2 LEU 497 HD21 LEU 497 11.388 -6.842 3.104 396 2HD2 LEU 497 HD22 LEU 497 11.614 -5.399 2.115 397 3HD2 LEU 497 HD23 LEU 497 9.989 -5.899 2.588 398 H ALA 498 HN ALA 498 10.598 -1.318 1.961 399 HA ALA 498 HA ALA 498 10.226 -2.436 -0.568 400 1HB ALA 498 HB1 ALA 498 10.158 0.203 -1.148 401 2HB ALA 498 HB2 ALA 498 9.964 0.260 0.605 402 3HB ALA 498 HB3 ALA 498 8.830 -0.668 -0.379 403 H ALA 499 HN ALA 499 12.764 -0.471 0.804 404 HA ALA 499 HA ALA 499 14.255 -0.022 -1.581 405 1HB ALA 499 HB1 ALA 499 15.797 0.085 0.872 406 2HB ALA 499 HB2 ALA 499 14.284 0.989 0.987 407 3HB ALA 499 HB3 ALA 499 15.438 1.360 -0.295 408 H TYR 500 HN TYR 500 14.421 -2.452 1.048 409 HA TYR 500 HA TYR 500 16.904 -3.499 0.544 410 1HB TYR 500 HB2 TYR 500 14.433 -5.147 1.123 411 2HB TYR 500 HB1 TYR 500 16.096 -5.660 1.364 412 HD1 TYR 500 HD1 TYR 500 14.031 -5.787 3.458 413 HD2 TYR 500 HD2 TYR 500 16.725 -2.667 2.419 414 HE1 TYR 500 HE1 TYR 500 13.913 -4.951 5.754 415 HE2 TYR 500 HE2 TYR 500 16.631 -1.811 4.717 416 HH TYR 500 HH TYR 500 16.091 -2.528 6.918 417 H ILE 501 HN ILE 501 13.847 -4.493 -0.911 418 HA ILE 501 HA ILE 501 14.928 -6.344 -2.722 419 HB ILE 501 HB ILE 501 12.705 -5.369 -4.056 420 1HG1 ILE 501 HG12 ILE 501 12.393 -3.963 -1.886 421 2HG1 ILE 501 HG11 ILE 501 11.014 -4.815 -2.563 422 1HG2 ILE 501 HG21 ILE 501 13.401 -7.665 -2.385 423 2HG2 ILE 501 HG22 ILE 501 12.667 -7.601 -3.988 424 3HG2 ILE 501 HG23 ILE 501 11.672 -7.368 -2.551 425 1HD1 ILE 501 HD11 ILE 501 11.179 -6.535 -0.919 426 2HD1 ILE 501 HD12 ILE 501 11.229 -4.980 -0.089 427 3HD1 ILE 501 HD13 ILE 501 12.715 -5.900 -0.330 428 H TYR 502 HN TYR 502 14.349 -2.866 -3.025 429 HA TYR 502 HA TYR 502 14.750 -2.452 -5.703 430 1HB TYR 502 HB2 TYR 502 14.237 -0.635 -4.147 431 2HB TYR 502 HB1 TYR 502 15.838 -0.774 -3.434 432 HD1 TYR 502 HD1 TYR 502 16.137 1.649 -3.891 433 HD2 TYR 502 HD2 TYR 502 15.589 -1.166 -7.034 434 HE1 TYR 502 HE1 TYR 502 17.000 3.290 -5.504 435 HE2 TYR 502 HE2 TYR 502 16.453 0.469 -8.655 436 HH TYR 502 HH TYR 502 17.985 2.506 -8.578 437 H ALA 503 HN ALA 503 17.242 -2.897 -3.225 438 HA ALA 503 HA ALA 503 19.427 -2.613 -5.044 439 1HB ALA 503 HB1 ALA 503 19.084 -3.262 -2.192 440 2HB ALA 503 HB2 ALA 503 20.239 -2.190 -2.984 441 3HB ALA 503 HB3 ALA 503 20.523 -3.932 -2.961 442 H PHE 504 HN PHE 504 17.568 -5.314 -3.778 443 HA PHE 504 HA PHE 504 19.193 -7.437 -4.514 444 1HB PHE 504 HB2 PHE 504 16.336 -7.066 -3.924 445 2HB PHE 504 HB1 PHE 504 16.689 -8.448 -4.955 446 HD1 PHE 504 HD1 PHE 504 17.959 -10.331 -4.121 447 HD2 PHE 504 HD2 PHE 504 17.112 -6.983 -1.637 448 HE1 PHE 504 HE1 PHE 504 18.600 -11.643 -2.141 449 HE2 PHE 504 HE2 PHE 504 17.752 -8.288 0.347 450 HZ PHE 504 HZ PHE 504 18.498 -10.622 0.097 451 H TYR 505 HN TYR 505 17.022 -5.487 -6.465 452 HA TYR 505 HA TYR 505 16.980 -7.125 -8.759 453 1HB TYR 505 HB2 TYR 505 16.875 -4.123 -8.887 454 2HB TYR 505 HB1 TYR 505 16.043 -5.293 -9.901 455 HD1 TYR 505 HD1 TYR 505 14.756 -2.925 -8.602 456 HD2 TYR 505 HD2 TYR 505 15.231 -6.932 -7.250 457 HE1 TYR 505 HE1 TYR 505 12.756 -2.682 -7.197 458 HE2 TYR 505 HE2 TYR 505 13.228 -6.696 -5.838 459 HH TYR 505 HH TYR 505 11.867 -3.768 -5.072 460 H GLU 506 HN GLU 506 19.075 -4.427 -7.807 461 HA GLU 506 HA GLU 506 20.644 -4.318 -10.118 462 1HB GLU 506 HB2 GLU 506 21.577 -3.746 -7.301 463 2HB GLU 506 HB1 GLU 506 22.262 -3.110 -8.790 464 1HG GLU 506 HG2 GLU 506 19.416 -2.539 -8.447 465 2HG GLU 506 HG1 GLU 506 20.454 -1.830 -7.211 466 H GLU 507 HN GLU 507 20.725 -6.466 -7.368 467 HA GLU 507 HA GLU 507 23.307 -7.567 -7.979 468 1HB GLU 507 HB2 GLU 507 21.113 -8.234 -6.054 469 2HB GLU 507 HB1 GLU 507 22.378 -9.414 -6.362 470 1HG GLU 507 HG2 GLU 507 23.962 -8.207 -5.290 471 2HG GLU 507 HG1 GLU 507 23.250 -6.660 -5.743 472 H GLY 508 HN GLY 508 20.047 -8.142 -8.982 473 1HA GLY 508 HA2 GLY 508 19.138 -9.617 -10.483 474 2HA GLY 508 HA1 GLY 508 20.765 -9.793 -11.122 475 H HIS 509 HN HIS 509 18.650 -10.907 -8.492 476 HA HIS 509 HA HIS 509 19.289 -13.633 -8.966 477 1HB HIS 509 HB2 HIS 509 20.479 -14.130 -6.887 478 2HB HIS 509 HB1 HIS 509 21.393 -12.987 -7.867 479 HD1 HIS 509 HD1 HIS 509 21.278 -13.466 -4.601 480 HD2 HIS 509 HD2 HIS 509 19.897 -10.233 -6.817 481 HE1 HIS 509 HE1 HIS 509 21.210 -11.531 -2.997 482 HE2 HIS 509 HE2 HIS 509 20.275 -9.612 -4.335 483 H GLU 510 HN GLU 510 16.976 -11.972 -8.649 484 HA GLU 510 HA GLU 510 14.911 -12.024 -7.710 485 1HB GLU 510 HB2 GLU 510 15.579 -14.585 -7.931 486 2HB GLU 510 HB1 GLU 510 15.538 -14.500 -6.174 487 1HG GLU 510 HG2 GLU 510 13.236 -13.694 -6.263 488 2HG GLU 510 HG1 GLU 510 13.276 -13.775 -8.024 489 H ALA 511 HN ALA 511 13.742 -11.691 -5.722 490 HA ALA 511 HA ALA 511 15.457 -10.551 -3.669 491 1HB ALA 511 HB1 ALA 511 13.628 -9.197 -4.502 492 2HB ALA 511 HB2 ALA 511 13.384 -9.569 -2.795 493 3HB ALA 511 HB3 ALA 511 12.465 -10.436 -4.026 494 H ASP 512 HN ASP 512 16.254 -12.363 -2.596 495 HA ASP 512 HA ASP 512 14.447 -14.334 -1.513 496 1HB ASP 512 HB2 ASP 512 17.060 -14.436 -2.233 497 2HB ASP 512 HB1 ASP 512 17.219 -14.215 -0.492 498 HA PRO 513 HA PRO 513 13.621 -11.771 2.092 499 1HB PRO 513 HB2 PRO 513 12.162 -13.667 3.431 500 2HB PRO 513 HB1 PRO 513 11.499 -12.620 2.173 501 1HG PRO 513 HG2 PRO 513 12.454 -15.447 1.975 502 2HG PRO 513 HG1 PRO 513 11.022 -14.694 1.247 503 1HD PRO 513 HD2 PRO 513 13.258 -15.156 -0.174 504 2HD PRO 513 HD1 PRO 513 12.247 -13.726 -0.463 505 H GLY 514 HN GLY 514 14.978 -14.998 2.096 506 1HA GLY 514 HA2 GLY 514 15.645 -15.253 4.790 507 2HA GLY 514 HA1 GLY 514 16.540 -15.984 3.465 508 H ALA 515 HN ALA 515 17.648 -13.923 2.161 509 HA ALA 515 HA ALA 515 19.663 -13.027 4.026 510 1HB ALA 515 HB1 ALA 515 20.995 -12.723 2.224 511 2HB ALA 515 HB2 ALA 515 19.701 -12.024 1.250 512 3HB ALA 515 HB3 ALA 515 19.808 -13.773 1.449 513 H LEU 516 HN LEU 516 16.935 -11.734 2.345 514 HA LEU 516 HA LEU 516 17.583 -8.980 2.676 515 1HB LEU 516 HB2 LEU 516 16.174 -9.864 0.874 516 2HB LEU 516 HB1 LEU 516 14.960 -10.317 2.053 517 HG LEU 516 HG LEU 516 15.796 -7.468 1.965 518 1HD1 LEU 516 HD11 LEU 516 13.622 -7.741 0.200 519 2HD1 LEU 516 HD12 LEU 516 14.852 -8.886 -0.337 520 3HD1 LEU 516 HD13 LEU 516 15.251 -7.176 -0.168 521 1HD2 LEU 516 HD21 LEU 516 13.280 -9.012 2.512 522 2HD2 LEU 516 HD22 LEU 516 13.303 -7.256 2.355 523 3HD2 LEU 516 HD23 LEU 516 14.233 -8.039 3.636 524 H ILE 517 HN ILE 517 15.005 -10.975 4.170 525 HA ILE 517 HA ILE 517 14.091 -9.051 5.952 526 HB ILE 517 HB ILE 517 14.165 -12.009 6.553 527 1HG1 ILE 517 HG12 ILE 517 13.050 -12.100 4.529 528 2HG1 ILE 517 HG11 ILE 517 11.712 -11.792 5.616 529 1HG2 ILE 517 HG21 ILE 517 13.373 -9.980 8.157 530 2HG2 ILE 517 HG22 ILE 517 12.742 -11.624 8.239 531 3HG2 ILE 517 HG23 ILE 517 11.859 -10.384 7.349 532 1HD1 ILE 517 HD11 ILE 517 12.177 -10.448 3.330 533 2HD1 ILE 517 HD12 ILE 517 12.967 -9.389 4.496 534 3HD1 ILE 517 HD13 ILE 517 11.268 -9.805 4.697 535 H SER 518 HN SER 518 16.905 -11.110 6.165 536 HA SER 518 HA SER 518 17.350 -10.324 8.942 537 1HB SER 518 HB2 SER 518 18.400 -12.455 7.160 538 2HB SER 518 HB1 SER 518 19.495 -11.845 8.400 539 HG SER 518 HG SER 518 16.847 -12.651 8.982 540 H ARG 519 HN ARG 519 17.536 -8.032 7.782 541 HA ARG 519 HA ARG 519 20.424 -7.518 7.634 542 1HB ARG 519 HB2 ARG 519 18.462 -6.348 5.654 543 2HB ARG 519 HB1 ARG 519 20.196 -6.066 5.704 544 1HG ARG 519 HG2 ARG 519 20.546 -8.478 5.246 545 2HG ARG 519 HG1 ARG 519 18.801 -8.647 5.051 546 1HD ARG 519 HD2 ARG 519 19.709 -8.396 2.874 547 2HD ARG 519 HD1 ARG 519 18.933 -6.867 3.281 548 HE ARG 519 HE ARG 519 21.738 -6.941 3.904 549 1HH1 ARG 519 HH11 ARG 519 19.374 -6.297 1.419 550 2HH1 ARG 519 HH12 ARG 519 20.421 -5.252 0.518 551 1HH2 ARG 519 HH21 ARG 519 23.117 -5.564 2.720 552 2HH2 ARG 519 HH22 ARG 519 22.544 -4.836 1.256 553 H ILE 520 HN ILE 520 17.175 -6.284 7.935 554 HA ILE 520 HA ILE 520 17.685 -3.647 8.670 555 HB ILE 520 HB ILE 520 15.437 -5.050 10.021 556 1HG1 ILE 520 HG12 ILE 520 14.379 -4.627 7.547 557 2HG1 ILE 520 HG11 ILE 520 15.973 -5.206 7.122 558 1HG2 ILE 520 HG21 ILE 520 15.029 -2.858 10.256 559 2HG2 ILE 520 HG22 ILE 520 14.411 -2.974 8.610 560 3HG2 ILE 520 HG23 ILE 520 16.056 -2.418 8.890 561 1HD1 ILE 520 HD11 ILE 520 14.788 -7.157 7.182 562 2HD1 ILE 520 HD12 ILE 520 13.740 -6.608 8.492 563 3HD1 ILE 520 HD13 ILE 520 15.399 -7.096 8.836 564 HA PRO 521 HA PRO 521 19.555 -3.590 12.653 565 1HB PRO 521 HB2 PRO 521 17.299 -1.815 13.489 566 2HB PRO 521 HB1 PRO 521 19.043 -1.598 13.700 567 1HG PRO 521 HG2 PRO 521 17.796 -0.251 11.807 568 2HG PRO 521 HG1 PRO 521 19.365 -1.005 11.460 569 1HD PRO 521 HD2 PRO 521 16.619 -1.908 10.712 570 2HD PRO 521 HD1 PRO 521 18.108 -1.947 9.747 571 H GLY 522 HN GLY 522 15.988 -3.477 13.241 572 1HA GLY 522 HA2 GLY 522 16.175 -6.028 14.600 573 2HA GLY 522 HA1 GLY 522 15.906 -4.667 15.667 574 H GLU 523 HN GLU 523 13.952 -3.294 15.099 575 HA GLU 523 HA GLU 523 11.654 -4.701 15.381 576 1HB GLU 523 HB2 GLU 523 10.426 -2.704 14.711 577 2HB GLU 523 HB1 GLU 523 11.801 -2.299 15.729 578 1HG GLU 523 HG2 GLU 523 13.048 -1.510 13.862 579 2HG GLU 523 HG1 GLU 523 11.845 -2.126 12.729 580 H LEU 524 HN LEU 524 13.038 -3.766 12.239 581 HA LEU 524 HA LEU 524 10.797 -4.704 10.757 582 1HB LEU 524 HB2 LEU 524 13.076 -3.244 10.202 583 2HB LEU 524 HB1 LEU 524 13.337 -4.734 9.328 584 HG LEU 524 HG LEU 524 11.757 -2.459 8.612 585 1HD1 LEU 524 HD11 LEU 524 13.125 -3.316 6.955 586 2HD1 LEU 524 HD12 LEU 524 11.538 -3.898 6.466 587 3HD1 LEU 524 HD13 LEU 524 12.658 -4.986 7.288 588 1HD2 LEU 524 HD21 LEU 524 9.746 -3.680 7.784 589 2HD2 LEU 524 HD22 LEU 524 9.817 -3.510 9.537 590 3HD2 LEU 524 HD23 LEU 524 10.228 -5.049 8.784 591 H GLN 525 HN GLN 525 13.401 -6.289 12.304 592 HA GLN 525 HA GLN 525 13.721 -8.482 10.590 593 1HB GLN 525 HB2 GLN 525 14.137 -8.210 13.564 594 2HB GLN 525 HB1 GLN 525 14.488 -9.693 12.695 595 1HG GLN 525 HG2 GLN 525 15.718 -7.522 11.329 596 2HG GLN 525 HG1 GLN 525 16.128 -7.425 13.041 597 1HE2 GLN 525 HE21 GLN 525 17.394 -8.386 10.333 598 2HE2 GLN 525 HE22 GLN 525 18.228 -9.820 10.813 599 HA PRO 526 HA PRO 526 10.346 -10.773 13.206 600 1HB PRO 526 HB2 PRO 526 8.795 -9.209 14.821 601 2HB PRO 526 HB1 PRO 526 10.236 -10.062 15.386 602 1HG PRO 526 HG2 PRO 526 9.915 -7.196 14.597 603 2HG PRO 526 HG1 PRO 526 10.821 -7.892 15.954 604 1HD PRO 526 HD2 PRO 526 12.021 -7.076 13.682 605 2HD PRO 526 HD1 PRO 526 12.625 -8.447 14.631 606 H LEU 527 HN LEU 527 9.619 -7.372 12.460 607 HA LEU 527 HA LEU 527 6.988 -7.765 11.555 608 1HB LEU 527 HB2 LEU 527 8.268 -5.580 12.078 609 2HB LEU 527 HB1 LEU 527 8.832 -5.683 10.422 610 HG LEU 527 HG LEU 527 6.026 -6.001 10.328 611 1HD1 LEU 527 HD11 LEU 527 6.484 -4.789 12.683 612 2HD1 LEU 527 HD12 LEU 527 5.069 -4.475 11.678 613 3HD1 LEU 527 HD13 LEU 527 6.455 -3.387 11.613 614 1HD2 LEU 527 HD21 LEU 527 7.923 -4.753 8.893 615 2HD2 LEU 527 HD22 LEU 527 7.196 -3.367 9.705 616 3HD2 LEU 527 HD23 LEU 527 6.199 -4.432 8.716 617 H ALA 528 HN ALA 528 9.982 -7.392 9.665 618 HA ALA 528 HA ALA 528 8.881 -7.987 7.164 619 1HB ALA 528 HB1 ALA 528 11.090 -6.923 7.563 620 2HB ALA 528 HB2 ALA 528 11.147 -8.253 6.405 621 3HB ALA 528 HB3 ALA 528 11.713 -8.496 8.057 622 H SER 529 HN SER 529 10.561 -10.088 9.501 623 HA SER 529 HA SER 529 10.527 -12.450 8.038 624 1HB SER 529 HB2 SER 529 11.700 -12.051 10.240 625 2HB SER 529 HB1 SER 529 10.141 -12.277 11.033 626 HG SER 529 HG SER 529 11.858 -14.129 10.013 627 H GLU 530 HN GLU 530 8.097 -11.167 10.279 628 HA GLU 530 HA GLU 530 6.264 -13.319 9.871 629 1HB GLU 530 HB2 GLU 530 6.084 -10.612 11.160 630 2HB GLU 530 HB1 GLU 530 4.633 -11.569 10.901 631 1HG GLU 530 HG2 GLU 530 7.034 -12.605 12.378 632 2HG GLU 530 HG1 GLU 530 5.702 -11.764 13.168 633 H LEU 531 HN LEU 531 6.908 -10.259 8.358 634 HA LEU 531 HA LEU 531 4.478 -10.024 6.910 635 1HB LEU 531 HB2 LEU 531 7.009 -8.618 7.086 636 2HB LEU 531 HB1 LEU 531 6.434 -8.714 5.435 637 HG LEU 531 HG LEU 531 4.344 -7.641 6.060 638 1HD1 LEU 531 HD11 LEU 531 3.751 -7.063 8.211 639 2HD1 LEU 531 HD12 LEU 531 5.415 -7.108 8.795 640 3HD1 LEU 531 HD13 LEU 531 4.554 -8.611 8.468 641 1HD2 LEU 531 HD21 LEU 531 5.240 -5.583 5.931 642 2HD2 LEU 531 HD22 LEU 531 6.757 -6.468 5.763 643 3HD2 LEU 531 HD23 LEU 531 6.276 -5.829 7.336 644 H SER 532 HN SER 532 7.232 -12.017 6.503 645 HA SER 532 HA SER 532 7.578 -12.226 3.820 646 1HB SER 532 HB2 SER 532 8.668 -13.571 5.758 647 2HB SER 532 HB1 SER 532 7.381 -14.740 5.460 648 HG SER 532 HG SER 532 8.267 -15.268 3.598 649 H LEU 533 HN LEU 533 4.797 -13.211 5.629 650 HA LEU 533 HA LEU 533 3.306 -13.633 3.210 651 1HB LEU 533 HB2 LEU 533 4.484 -15.868 3.939 652 2HB LEU 533 HB1 LEU 533 3.205 -15.920 5.136 653 HG LEU 533 HG LEU 533 2.382 -17.226 3.390 654 1HD1 LEU 533 HD11 LEU 533 0.599 -15.851 2.276 655 2HD1 LEU 533 HD12 LEU 533 1.300 -14.437 3.057 656 3HD1 LEU 533 HD13 LEU 533 0.645 -15.749 4.035 657 1HD2 LEU 533 HD21 LEU 533 3.826 -15.303 1.674 658 2HD2 LEU 533 HD22 LEU 533 2.374 -16.043 1.002 659 3HD2 LEU 533 HD23 LEU 533 3.703 -17.059 1.562 660 H LEU 534 HN LEU 534 2.984 -11.642 5.006 661 HA LEU 534 HA LEU 534 1.165 -12.333 7.083 662 1HB LEU 534 HB2 LEU 534 1.299 -10.179 7.739 663 2HB LEU 534 HB1 LEU 534 2.701 -10.198 6.694 664 HG LEU 534 HG LEU 534 1.017 -9.386 4.865 665 1HD1 LEU 534 HD11 LEU 534 -0.791 -9.681 6.855 666 2HD1 LEU 534 HD12 LEU 534 -0.982 -8.571 5.498 667 3HD1 LEU 534 HD13 LEU 534 -0.370 -7.979 7.042 668 1HD2 LEU 534 HD21 LEU 534 2.510 -7.968 6.960 669 2HD2 LEU 534 HD22 LEU 534 1.304 -7.005 6.110 670 3HD2 LEU 534 HD23 LEU 534 2.583 -7.811 5.205 671 H LEU 535 HN LEU 535 0.795 -11.110 3.821 672 HA LEU 535 HA LEU 535 -1.925 -12.063 3.783 673 1HB LEU 535 HB2 LEU 535 -2.444 -9.920 4.603 674 2HB LEU 535 HB1 LEU 535 -1.219 -9.150 3.616 675 HG LEU 535 HG LEU 535 -2.549 -9.355 1.645 676 1HD1 LEU 535 HD11 LEU 535 -3.424 -11.640 2.222 677 2HD1 LEU 535 HD12 LEU 535 -4.601 -10.542 1.500 678 3HD1 LEU 535 HD13 LEU 535 -4.626 -10.843 3.237 679 1HD2 LEU 535 HD21 LEU 535 -4.826 -8.398 2.675 680 2HD2 LEU 535 HD22 LEU 535 -3.342 -7.450 2.571 681 3HD2 LEU 535 HD23 LEU 535 -3.781 -8.236 4.087 682 H ILE 536 HN ILE 536 -0.345 -13.379 2.372 683 HA ILE 536 HA ILE 536 -0.761 -12.503 -0.362 684 HB ILE 536 HB ILE 536 1.449 -12.437 -1.071 685 1HG1 ILE 536 HG12 ILE 536 2.156 -13.890 1.480 686 2HG1 ILE 536 HG11 ILE 536 2.347 -14.463 -0.170 687 1HG2 ILE 536 HG21 ILE 536 2.565 -10.839 0.330 688 2HG2 ILE 536 HG22 ILE 536 1.619 -11.346 1.735 689 3HG2 ILE 536 HG23 ILE 536 0.829 -10.532 0.380 690 1HD1 ILE 536 HD11 ILE 536 3.962 -12.462 -0.416 691 2HD1 ILE 536 HD12 ILE 536 4.497 -13.912 0.432 692 3HD1 ILE 536 HD13 ILE 536 3.990 -12.492 1.347 693 H ALA 537 HN ALA 537 0.867 -14.340 -1.638 694 HA ALA 537 HA ALA 537 0.331 -16.972 -0.564 695 1HB ALA 537 HB1 ALA 537 -0.711 -17.289 -3.088 696 2HB ALA 537 HB2 ALA 537 -1.368 -15.733 -2.581 697 3HB ALA 537 HB3 ALA 537 -1.644 -17.170 -1.597 698 H ASP 538 HN ASP 538 0.804 -18.532 -2.713 699 HA ASP 538 HA ASP 538 3.572 -18.386 -3.054 700 1HB ASP 538 HB2 ASP 538 1.414 -19.875 -4.535 701 2HB ASP 538 HB1 ASP 538 3.109 -20.014 -4.997 702 H ASP 539 HN ASP 539 1.083 -16.656 -4.641 703 HA ASP 539 HA ASP 539 3.030 -15.648 -6.605 704 1HB ASP 539 HB2 ASP 539 0.993 -17.223 -7.346 705 2HB ASP 539 HB1 ASP 539 0.163 -15.671 -7.346 706 H VAL 540 HN VAL 540 1.788 -14.733 -3.931 707 HA VAL 540 HA VAL 540 1.313 -12.739 -2.962 708 HB VAL 540 HB VAL 540 1.926 -11.676 -5.719 709 1HG1 VAL 540 HG11 VAL 540 2.072 -9.436 -4.604 710 2HG1 VAL 540 HG12 VAL 540 1.295 -10.153 -3.194 711 3HG1 VAL 540 HG13 VAL 540 0.433 -10.078 -4.730 712 1HG2 VAL 540 HG21 VAL 540 3.484 -12.224 -3.282 713 2HG2 VAL 540 HG22 VAL 540 3.840 -10.702 -4.099 714 3HG2 VAL 540 HG23 VAL 540 3.980 -12.226 -4.974 715 H SER 541 HN SER 541 -0.352 -11.110 -2.839 716 HA SER 541 HA SER 541 -2.835 -12.008 -4.057 717 1HB SER 541 HB2 SER 541 -3.952 -10.882 -2.290 718 2HB SER 541 HB1 SER 541 -2.527 -11.592 -1.526 719 HG SER 541 HG SER 541 -2.606 -9.498 -0.855 720 H GLU 542 HN GLU 542 -2.066 -11.216 -6.089 721 HA GLU 542 HA GLU 542 -1.274 -8.712 -6.769 722 1HB GLU 542 HB2 GLU 542 -1.696 -9.311 -8.958 723 2HB GLU 542 HB1 GLU 542 -1.539 -10.857 -8.133 724 1HG GLU 542 HG2 GLU 542 -4.107 -10.763 -7.940 725 2HG GLU 542 HG1 GLU 542 -4.003 -9.533 -9.199 726 H GLN 543 HN GLN 543 -4.673 -9.749 -6.384 727 HA GLN 543 HA GLN 543 -5.898 -7.447 -7.359 728 1HB GLN 543 HB2 GLN 543 -6.892 -9.681 -6.339 729 2HB GLN 543 HB1 GLN 543 -6.961 -8.722 -4.866 730 1HG GLN 543 HG2 GLN 543 -8.118 -6.993 -6.521 731 2HG GLN 543 HG1 GLN 543 -8.526 -8.487 -7.364 732 1HE2 GLN 543 HE21 GLN 543 -10.728 -7.949 -6.866 733 2HE2 GLN 543 HE22 GLN 543 -11.378 -8.329 -5.311 734 H GLU 544 HN GLU 544 -4.773 -8.193 -4.089 735 HA GLU 544 HA GLU 544 -5.340 -5.661 -2.982 736 1HB GLU 544 HB2 GLU 544 -3.148 -7.529 -2.083 737 2HB GLU 544 HB1 GLU 544 -4.007 -6.341 -1.115 738 1HG GLU 544 HG2 GLU 544 -5.755 -8.327 -2.339 739 2HG GLU 544 HG1 GLU 544 -4.563 -9.013 -1.235 740 H LEU 545 HN LEU 545 -2.622 -7.007 -4.747 741 HA LEU 545 HA LEU 545 -0.641 -5.127 -4.264 742 1HB LEU 545 HB2 LEU 545 -0.544 -7.281 -5.646 743 2HB LEU 545 HB1 LEU 545 -1.133 -6.311 -6.982 744 HG LEU 545 HG LEU 545 0.870 -4.810 -6.641 745 1HD1 LEU 545 HD11 LEU 545 1.221 -5.831 -4.279 746 2HD1 LEU 545 HD12 LEU 545 2.623 -5.408 -5.262 747 3HD1 LEU 545 HD13 LEU 545 2.099 -7.089 -5.149 748 1HD2 LEU 545 HD21 LEU 545 2.456 -6.523 -7.650 749 2HD2 LEU 545 HD22 LEU 545 0.926 -6.262 -8.487 750 3HD2 LEU 545 HD23 LEU 545 1.143 -7.685 -7.468 751 H GLU 546 HN GLU 546 -3.145 -5.078 -6.805 752 HA GLU 546 HA GLU 546 -2.430 -2.574 -7.873 753 1HB GLU 546 HB2 GLU 546 -4.452 -2.640 -9.058 754 2HB GLU 546 HB1 GLU 546 -4.062 -4.334 -8.820 755 1HG GLU 546 HG2 GLU 546 -5.606 -3.695 -6.619 756 2HG GLU 546 HG1 GLU 546 -6.359 -2.810 -7.940 757 H ASP 547 HN ASP 547 -4.312 -3.587 -5.120 758 HA ASP 547 HA ASP 547 -5.502 -1.083 -4.517 759 1HB ASP 547 HB2 ASP 547 -5.411 -3.716 -3.373 760 2HB ASP 547 HB1 ASP 547 -5.108 -2.527 -2.110 761 H TYR 548 HN TYR 548 -2.368 -2.487 -3.870 762 HA TYR 548 HA TYR 548 -1.595 -0.728 -1.773 763 1HB TYR 548 HB2 TYR 548 -0.021 -2.420 -3.699 764 2HB TYR 548 HB1 TYR 548 0.750 -1.410 -2.483 765 HD1 TYR 548 HD1 TYR 548 0.880 -2.099 -0.239 766 HD2 TYR 548 HD2 TYR 548 -1.491 -4.252 -2.987 767 HE1 TYR 548 HE1 TYR 548 0.629 -3.891 1.398 768 HE2 TYR 548 HE2 TYR 548 -1.792 -6.056 -1.380 769 HH TYR 548 HH TYR 548 -1.550 -5.974 1.540 770 H ILE 549 HN ILE 549 -0.390 -0.876 -5.101 771 HA ILE 549 HA ILE 549 1.034 1.479 -5.018 772 HB ILE 549 HB ILE 549 -0.049 1.304 -7.665 773 1HG1 ILE 549 HG12 ILE 549 -0.671 -1.040 -6.915 774 2HG1 ILE 549 HG11 ILE 549 0.394 -0.945 -8.311 775 1HG2 ILE 549 HG21 ILE 549 2.479 1.332 -6.272 776 2HG2 ILE 549 HG22 ILE 549 2.059 1.947 -7.871 777 3HG2 ILE 549 HG23 ILE 549 2.518 0.256 -7.670 778 1HD1 ILE 549 HD11 ILE 549 1.632 -1.224 -5.628 779 2HD1 ILE 549 HD12 ILE 549 2.168 -1.831 -7.195 780 3HD1 ILE 549 HD13 ILE 549 0.843 -2.629 -6.346 781 H ARG 550 HN ARG 550 -2.381 1.034 -5.943 782 HA ARG 550 HA ARG 550 -2.832 3.717 -6.672 783 1HB ARG 550 HB2 ARG 550 -5.154 3.220 -6.619 784 2HB ARG 550 HB1 ARG 550 -4.346 1.757 -7.162 785 1HG ARG 550 HG2 ARG 550 -5.718 0.800 -5.659 786 2HG ARG 550 HG1 ARG 550 -4.437 1.256 -4.537 787 1HD ARG 550 HD2 ARG 550 -5.638 3.330 -4.020 788 2HD ARG 550 HD1 ARG 550 -6.923 2.855 -5.130 789 HE ARG 550 HE ARG 550 -6.478 1.875 -2.462 790 1HH1 ARG 550 HH11 ARG 550 -7.948 1.208 -5.557 791 2HH1 ARG 550 HH12 ARG 550 -9.122 0.116 -4.904 792 1HH2 ARG 550 HH21 ARG 550 -8.021 0.438 -1.601 793 2HH2 ARG 550 HH22 ARG 550 -9.164 -0.321 -2.659 794 H HIS 551 HN HIS 551 -2.970 2.052 -3.573 795 HA HIS 551 HA HIS 551 -4.070 4.247 -2.121 796 1HB HIS 551 HB2 HIS 551 -3.043 1.562 -1.508 797 2HB HIS 551 HB1 HIS 551 -2.788 2.744 -0.230 798 HD1 HIS 551 HD1 HIS 551 -5.502 4.307 -0.737 799 HD2 HIS 551 HD2 HIS 551 -5.089 0.202 -0.245 800 HE1 HIS 551 HE1 HIS 551 -7.746 3.496 0.055 801 HE2 HIS 551 HE2 HIS 551 -7.448 1.022 0.426 802 H VAL 552 HN VAL 552 -0.797 2.856 -2.228 803 HA VAL 552 HA VAL 552 0.456 4.743 -0.615 804 HB VAL 552 HB VAL 552 1.759 3.314 -2.928 805 1HG1 VAL 552 HG11 VAL 552 2.729 4.742 -0.508 806 2HG1 VAL 552 HG12 VAL 552 3.389 4.709 -2.143 807 3HG1 VAL 552 HG13 VAL 552 3.629 3.332 -1.066 808 1HG2 VAL 552 HG21 VAL 552 1.142 1.414 -1.931 809 2HG2 VAL 552 HG22 VAL 552 0.565 2.260 -0.496 810 3HG2 VAL 552 HG23 VAL 552 2.272 1.845 -0.648 811 H LEU 553 HN LEU 553 0.181 4.704 -4.175 812 HA LEU 553 HA LEU 553 1.718 6.909 -4.764 813 1HB LEU 553 HB2 LEU 553 0.783 5.489 -6.485 814 2HB LEU 553 HB1 LEU 553 -0.841 6.011 -6.080 815 HG LEU 553 HG LEU 553 0.591 8.362 -6.666 816 1HD1 LEU 553 HD11 LEU 553 1.078 7.590 -9.155 817 2HD1 LEU 553 HD12 LEU 553 1.416 6.061 -8.344 818 3HD1 LEU 553 HD13 LEU 553 2.306 7.516 -7.892 819 1HD2 LEU 553 HD21 LEU 553 -0.903 8.021 -8.849 820 2HD2 LEU 553 HD22 LEU 553 -1.585 8.471 -7.285 821 3HD2 LEU 553 HD23 LEU 553 -1.634 6.791 -7.819 822 H ASN 554 HN ASN 554 -1.816 6.953 -4.218 823 HA ASN 554 HA ASN 554 -1.986 9.111 -2.556 824 1HB ASN 554 HB2 ASN 554 -1.147 9.974 -5.158 825 2HB ASN 554 HB1 ASN 554 -2.765 10.597 -4.855 826 1HD2 ASN 554 HD21 ASN 554 -0.190 9.964 -2.531 827 2HD2 ASN 554 HD22 ASN 554 -0.015 11.603 -2.009 828 H ARG 555 HN ARG 555 -4.150 10.553 -3.445 829 HA ARG 555 HA ARG 555 -6.282 8.782 -3.004 830 1HB ARG 555 HB2 ARG 555 -5.977 11.649 -3.645 831 2HB ARG 555 HB1 ARG 555 -7.526 10.938 -4.074 832 1HG ARG 555 HG2 ARG 555 -6.547 10.299 -1.377 833 2HG ARG 555 HG1 ARG 555 -6.961 11.990 -1.663 834 1HD ARG 555 HD2 ARG 555 -9.039 11.311 -1.126 835 2HD ARG 555 HD1 ARG 555 -9.081 10.766 -2.802 836 HE ARG 555 HE ARG 555 -8.036 8.653 -1.430 837 1HH1 ARG 555 HH11 ARG 555 -10.956 10.545 -1.166 838 2HH1 ARG 555 HH12 ARG 555 -11.896 9.237 -0.530 839 1HH2 ARG 555 HH21 ARG 555 -9.269 6.931 -0.594 840 2HH2 ARG 555 HH22 ARG 555 -10.938 7.185 -0.204 841 HA PRO 556 HA PRO 556 -7.375 9.715 -7.815 842 1HB PRO 556 HB2 PRO 556 -4.747 9.590 -8.980 843 2HB PRO 556 HB1 PRO 556 -5.927 10.897 -9.076 844 1HG PRO 556 HG2 PRO 556 -3.596 10.598 -7.297 845 2HG PRO 556 HG1 PRO 556 -4.449 12.067 -7.800 846 1HD PRO 556 HD2 PRO 556 -4.639 11.095 -5.300 847 2HD PRO 556 HD1 PRO 556 -6.011 11.890 -6.099 848 H LYS 557 HN LYS 557 -7.399 8.058 -9.434 849 HA LYS 557 HA LYS 557 -6.258 5.523 -8.468 850 1HB LYS 557 HB2 LYS 557 -8.621 5.841 -10.318 851 2HB LYS 557 HB1 LYS 557 -8.105 4.385 -9.477 852 1HG LYS 557 HG2 LYS 557 -8.874 6.799 -7.903 853 2HG LYS 557 HG1 LYS 557 -10.124 5.763 -8.595 854 1HD LYS 557 HD2 LYS 557 -9.906 4.536 -6.735 855 2HD LYS 557 HD1 LYS 557 -8.399 3.955 -7.447 856 1HE LYS 557 HE2 LYS 557 -7.751 4.663 -5.330 857 2HE LYS 557 HE1 LYS 557 -7.338 6.034 -6.359 858 1HZ LYS 557 HZ1 LYS 557 -8.603 6.423 -4.155 859 2HZ LYS 557 HZ2 LYS 557 -9.964 5.944 -5.037 860 3HZ LYS 557 HZ3 LYS 557 -9.064 7.285 -5.537 861 H TRP 558 HN TRP 558 -4.722 7.313 -10.075 862 HA TRP 558 HA TRP 558 -4.765 6.661 -12.812 863 1HB TRP 558 HB2 TRP 558 -3.390 8.458 -11.352 864 2HB TRP 558 HB1 TRP 558 -2.138 7.236 -11.551 865 HD1 TRP 558 HD1 TRP 558 -3.500 10.186 -13.215 866 HE1 TRP 558 HE1 TRP 558 -2.709 10.328 -15.659 867 HE3 TRP 558 HE3 TRP 558 -1.673 5.445 -13.746 868 HZ2 TRP 558 HZ2 TRP 558 -1.465 8.648 -17.561 869 HZ3 TRP 558 HZ3 TRP 558 -0.697 4.791 -15.908 870 HH2 TRP 558 HH2 TRP 558 -0.598 6.360 -17.775 871 H LEU 559 HN LEU 559 -2.693 5.424 -10.195 872 HA LEU 559 HA LEU 559 -1.415 3.457 -11.742 873 1HB LEU 559 HB2 LEU 559 -1.838 3.814 -8.792 874 2HB LEU 559 HB1 LEU 559 -1.036 2.387 -9.418 875 HG LEU 559 HG LEU 559 0.420 4.354 -8.627 876 1HD1 LEU 559 HD11 LEU 559 0.674 2.705 -11.065 877 2HD1 LEU 559 HD12 LEU 559 1.698 2.783 -9.632 878 3HD1 LEU 559 HD13 LEU 559 1.825 4.028 -10.875 879 1HD2 LEU 559 HD21 LEU 559 0.878 6.032 -10.387 880 2HD2 LEU 559 HD22 LEU 559 -0.753 6.157 -9.730 881 3HD2 LEU 559 HD23 LEU 559 -0.492 5.408 -11.305 882 H MET 560 HN MET 560 -4.506 3.549 -10.160 883 HA MET 560 HA MET 560 -5.050 0.804 -9.976 884 1HB MET 560 HB2 MET 560 -6.449 2.577 -8.951 885 2HB MET 560 HB1 MET 560 -6.994 3.048 -10.553 886 1HG MET 560 HG2 MET 560 -8.679 1.642 -10.281 887 2HG MET 560 HG1 MET 560 -7.509 0.335 -10.449 888 1HE MET 560 HE1 MET 560 -6.926 -1.017 -7.020 889 2HE MET 560 HE2 MET 560 -5.857 0.252 -7.615 890 3HE MET 560 HE3 MET 560 -6.493 -0.960 -8.729 891 H LEU 561 HN LEU 561 -5.605 3.129 -12.574 892 HA LEU 561 HA LEU 561 -6.782 1.306 -14.382 893 1HB LEU 561 HB2 LEU 561 -6.769 3.898 -14.436 894 2HB LEU 561 HB1 LEU 561 -5.232 3.721 -15.256 895 HG LEU 561 HG LEU 561 -7.216 4.047 -16.761 896 1HD1 LEU 561 HD11 LEU 561 -6.144 1.408 -17.502 897 2HD1 LEU 561 HD12 LEU 561 -4.953 2.661 -17.158 898 3HD1 LEU 561 HD13 LEU 561 -6.172 2.922 -18.405 899 1HD2 LEU 561 HD21 LEU 561 -8.367 2.049 -15.203 900 2HD2 LEU 561 HD22 LEU 561 -8.007 1.259 -16.736 901 3HD2 LEU 561 HD23 LEU 561 -9.006 2.711 -16.706 902 H LYS 562 HN LYS 562 -3.458 2.214 -13.670 903 HA LYS 562 HA LYS 562 -2.224 1.055 -15.920 904 1HB LYS 562 HB2 LYS 562 -1.122 2.491 -14.129 905 2HB LYS 562 HB1 LYS 562 -1.089 1.054 -13.117 906 1HG LYS 562 HG2 LYS 562 0.069 0.827 -15.834 907 2HG LYS 562 HG1 LYS 562 0.958 1.776 -14.639 908 1HD LYS 562 HD2 LYS 562 1.089 -0.086 -13.151 909 2HD LYS 562 HD1 LYS 562 -0.028 -1.028 -14.141 910 1HE LYS 562 HE2 LYS 562 2.419 -0.036 -15.473 911 2HE LYS 562 HE1 LYS 562 2.636 -1.301 -14.264 912 1HZ LYS 562 HZ1 LYS 562 1.612 -2.824 -15.546 913 2HZ LYS 562 HZ2 LYS 562 2.079 -1.798 -16.806 914 3HZ LYS 562 HZ3 LYS 562 0.504 -1.722 -16.194 915 H VAL 563 HN VAL 563 -3.123 -0.230 -12.768 916 HA VAL 563 HA VAL 563 -2.245 -2.876 -13.098 917 HB VAL 563 HB VAL 563 -4.558 -1.734 -11.503 918 1HG1 VAL 563 HG11 VAL 563 -5.083 -3.765 -10.669 919 2HG1 VAL 563 HG12 VAL 563 -3.407 -4.312 -10.661 920 3HG1 VAL 563 HG13 VAL 563 -4.345 -4.369 -12.151 921 1HG2 VAL 563 HG21 VAL 563 -1.892 -1.368 -11.109 922 2HG2 VAL 563 HG22 VAL 563 -2.194 -2.794 -10.116 923 3HG2 VAL 563 HG23 VAL 563 -3.111 -1.316 -9.835 924 H LYS 564 HN LYS 564 -5.209 -1.184 -13.922 925 HA LYS 564 HA LYS 564 -6.663 -3.401 -14.904 926 1HB LYS 564 HB2 LYS 564 -6.884 -0.477 -15.668 927 2HB LYS 564 HB1 LYS 564 -8.090 -1.710 -15.984 928 1HG LYS 564 HG2 LYS 564 -7.980 -2.009 -13.370 929 2HG LYS 564 HG1 LYS 564 -7.396 -0.346 -13.449 930 1HD LYS 564 HD2 LYS 564 -9.393 0.262 -14.764 931 2HD LYS 564 HD1 LYS 564 -9.987 -1.389 -14.585 932 1HE LYS 564 HE2 LYS 564 -9.539 -0.812 -12.011 933 2HE LYS 564 HE1 LYS 564 -9.859 0.815 -12.613 934 1HZ LYS 564 HZ1 LYS 564 -11.882 -0.430 -13.720 935 2HZ LYS 564 HZ2 LYS 564 -11.964 0.161 -12.137 936 3HZ LYS 564 HZ3 LYS 564 -11.657 -1.480 -12.411 937 H GLU 565 HN GLU 565 -4.375 -1.144 -16.338 938 HA GLU 565 HA GLU 565 -4.696 -1.674 -19.027 939 1HB GLU 565 HB2 GLU 565 -2.745 -0.424 -17.410 940 2HB GLU 565 HB1 GLU 565 -1.889 -1.592 -18.415 941 1HG GLU 565 HG2 GLU 565 -3.145 -0.564 -20.380 942 2HG GLU 565 HG1 GLU 565 -3.569 0.743 -19.275 943 H GLN 566 HN GLN 566 -2.809 -3.455 -16.623 944 HA GLN 566 HA GLN 566 -1.793 -5.315 -18.509 945 1HB GLN 566 HB2 GLN 566 -1.952 -5.402 -15.496 946 2HB GLN 566 HB1 GLN 566 -1.143 -6.631 -16.458 947 1HG GLN 566 HG2 GLN 566 0.085 -4.494 -17.446 948 2HG GLN 566 HG1 GLN 566 -0.337 -3.847 -15.861 949 1HE2 GLN 566 HE21 GLN 566 0.941 -4.313 -14.204 950 2HE2 GLN 566 HE22 GLN 566 2.187 -5.511 -14.202 951 H GLU 567 HN GLU 567 -4.375 -5.665 -16.026 952 HA GLU 567 HA GLU 567 -5.024 -8.316 -16.816 953 1HB GLU 567 HB2 GLU 567 -6.614 -6.303 -15.218 954 2HB GLU 567 HB1 GLU 567 -7.027 -8.003 -15.386 955 1HG GLU 567 HG2 GLU 567 -4.769 -8.522 -14.388 956 2HG GLU 567 HG1 GLU 567 -4.649 -6.807 -13.998 957 H LYS 568 HN LYS 568 -6.614 -5.190 -17.334 958 HA LYS 568 HA LYS 568 -8.757 -6.079 -18.854 959 1HB LYS 568 HB2 LYS 568 -7.315 -3.485 -19.326 960 2HB LYS 568 HB1 LYS 568 -9.003 -3.847 -19.624 961 1HG LYS 568 HG2 LYS 568 -7.960 -4.045 -16.843 962 2HG LYS 568 HG1 LYS 568 -8.265 -2.457 -17.540 963 1HD LYS 568 HD2 LYS 568 -10.425 -2.668 -17.091 964 2HD LYS 568 HD1 LYS 568 -10.503 -4.122 -18.087 965 1HE LYS 568 HE2 LYS 568 -11.259 -4.762 -15.941 966 2HE LYS 568 HE1 LYS 568 -9.619 -5.386 -16.082 967 1HZ LYS 568 HZ1 LYS 568 -9.068 -3.090 -14.969 968 2HZ LYS 568 HZ2 LYS 568 -9.504 -4.434 -14.042 969 3HZ LYS 568 HZ3 LYS 568 -10.650 -3.241 -14.388 970 H THR 569 HN THR 569 -5.479 -5.241 -19.793 971 HA THR 569 HA THR 569 -5.801 -5.411 -22.566 972 HB THR 569 HB THR 569 -3.534 -5.652 -20.661 973 HG1 THR 569 HG1 THR 569 -2.823 -3.856 -21.801 974 1HG2 THR 569 HG21 THR 569 -2.230 -5.613 -23.064 975 2HG2 THR 569 HG22 THR 569 -3.444 -6.874 -23.283 976 3HG2 THR 569 HG23 THR 569 -2.305 -6.965 -21.936 977 H GLU 570 HN GLU 570 -5.014 -7.849 -20.112 978 HA GLU 570 HA GLU 570 -4.486 -10.035 -21.720 979 1HB GLU 570 HB2 GLU 570 -6.033 -10.016 -19.117 980 2HB GLU 570 HB1 GLU 570 -5.299 -11.433 -19.856 981 1HG GLU 570 HG2 GLU 570 -3.188 -9.706 -19.704 982 2HG GLU 570 HG1 GLU 570 -4.100 -9.317 -18.247 983 H ALA 571 HN ALA 571 -7.573 -8.648 -20.726 984 HA ALA 571 HA ALA 571 -9.159 -10.652 -22.006 985 1HB ALA 571 HB1 ALA 571 -11.026 -9.030 -21.727 986 2HB ALA 571 HB2 ALA 571 -9.865 -7.887 -21.062 987 3HB ALA 571 HB3 ALA 571 -10.170 -9.418 -20.238 988 H GLU 572 HN GLU 572 -7.651 -7.650 -22.991 989 HA GLU 572 HA GLU 572 -9.157 -7.155 -25.306 990 1HB GLU 572 HB2 GLU 572 -6.744 -6.177 -24.127 991 2HB GLU 572 HB1 GLU 572 -6.438 -6.491 -25.829 992 1HG GLU 572 HG2 GLU 572 -7.160 -4.188 -25.403 993 2HG GLU 572 HG1 GLU 572 -8.263 -5.057 -26.469 994 H ARG 573 HN ARG 573 -6.279 -9.143 -24.787 995 HA ARG 573 HA ARG 573 -6.129 -9.994 -27.510 996 1HB ARG 573 HB2 ARG 573 -4.360 -11.510 -26.709 997 2HB ARG 573 HB1 ARG 573 -4.111 -9.847 -26.195 998 1HG ARG 573 HG2 ARG 573 -4.940 -10.379 -23.980 999 2HG ARG 573 HG1 ARG 573 -5.273 -12.036 -24.486 1000 1HD ARG 573 HD2 ARG 573 -2.623 -10.680 -24.106 1001 2HD ARG 573 HD1 ARG 573 -3.222 -12.161 -23.363 1002 HE ARG 573 HE ARG 573 -2.643 -13.339 -25.269 1003 1HH1 ARG 573 HH11 ARG 573 -2.176 -9.915 -25.784 1004 2HH1 ARG 573 HH12 ARG 573 -1.266 -10.135 -27.240 1005 1HH2 ARG 573 HH21 ARG 573 -1.448 -13.623 -27.183 1006 2HH2 ARG 573 HH22 ARG 573 -0.853 -12.236 -28.034 1007 H ARG 574 HN ARG 574 -7.230 -11.579 -24.502 1008 HA ARG 574 HA ARG 574 -8.382 -13.693 -26.210 1009 1HB ARG 574 HB2 ARG 574 -7.477 -13.956 -23.342 1010 2HB ARG 574 HB1 ARG 574 -8.105 -15.246 -24.359 1011 1HG ARG 574 HG2 ARG 574 -5.759 -13.785 -25.396 1012 2HG ARG 574 HG1 ARG 574 -5.496 -14.804 -23.980 1013 1HD ARG 574 HD2 ARG 574 -5.395 -16.571 -25.322 1014 2HD ARG 574 HD1 ARG 574 -7.085 -16.304 -25.749 1015 HE ARG 574 HE ARG 574 -6.410 -15.452 -27.769 1016 1HH1 ARG 574 HH11 ARG 574 -3.649 -15.672 -25.644 1017 2HH1 ARG 574 HH12 ARG 574 -2.505 -15.305 -26.891 1018 1HH2 ARG 574 HH21 ARG 574 -4.907 -14.966 -29.408 1019 2HH2 ARG 574 HH22 ARG 574 -3.218 -14.904 -29.028 1020 H LYS 575 HN LYS 575 -9.013 -11.440 -23.623 1021 HA LYS 575 HA LYS 575 -11.014 -10.666 -22.811 1022 1HB LYS 575 HB2 LYS 575 -12.514 -12.747 -24.377 1023 2HB LYS 575 HB1 LYS 575 -13.058 -11.158 -23.859 1024 1HG LYS 575 HG2 LYS 575 -12.317 -10.186 -25.717 1025 2HG LYS 575 HG1 LYS 575 -10.765 -11.019 -25.639 1026 1HD LYS 575 HD2 LYS 575 -11.679 -12.961 -26.701 1027 2HD LYS 575 HD1 LYS 575 -13.315 -12.307 -26.600 1028 1HE LYS 575 HE2 LYS 575 -12.771 -10.561 -28.159 1029 2HE LYS 575 HE1 LYS 575 -11.072 -11.034 -28.160 1030 1HZ LYS 575 HZ1 LYS 575 -13.352 -12.284 -29.490 1031 2HZ LYS 575 HZ2 LYS 575 -12.138 -13.311 -28.914 1032 3HZ LYS 575 HZ3 LYS 575 -11.757 -12.094 -30.026 1033 H ASP 576 HN ASP 576 -12.938 -11.488 -21.471 1034 HA ASP 576 HA ASP 576 -11.952 -13.249 -19.508 1035 1HB ASP 576 HB2 ASP 576 -14.264 -13.155 -18.572 1036 2HB ASP 576 HB1 ASP 576 -13.581 -11.569 -18.913 1037 H PHE 577 HN PHE 577 -14.487 -13.717 -21.963 1038 HA PHE 577 HA PHE 577 -13.807 -16.338 -22.596 1039 1HB PHE 577 HB2 PHE 577 -14.738 -16.493 -20.120 1040 2HB PHE 577 HB1 PHE 577 -16.293 -16.451 -20.941 1041 HD1 PHE 577 HD1 PHE 577 -17.244 -18.506 -21.243 1042 HD2 PHE 577 HD2 PHE 577 -13.009 -18.150 -21.475 1043 HE1 PHE 577 HE1 PHE 577 -17.069 -20.918 -21.700 1044 HE2 PHE 577 HE2 PHE 577 -12.827 -20.561 -21.933 1045 HZ PHE 577 HZ PHE 577 -14.859 -21.948 -22.047 1046 H LEU 578 HN LEU 578 -16.601 -14.223 -22.054 1047 HA LEU 578 HA LEU 578 -17.854 -15.168 -24.506 1048 1HB LEU 578 HB2 LEU 578 -18.706 -13.510 -22.184 1049 2HB LEU 578 HB1 LEU 578 -19.534 -13.274 -23.711 1050 HG LEU 578 HG LEU 578 -19.307 -15.918 -22.271 1051 1HD1 LEU 578 HD11 LEU 578 -20.729 -13.986 -21.261 1052 2HD1 LEU 578 HD12 LEU 578 -21.414 -15.605 -21.398 1053 3HD1 LEU 578 HD13 LEU 578 -21.838 -14.366 -22.579 1054 1HD2 LEU 578 HD21 LEU 578 -21.094 -16.576 -23.880 1055 2HD2 LEU 578 HD22 LEU 578 -19.528 -16.262 -24.628 1056 3HD2 LEU 578 HD23 LEU 578 -20.813 -15.058 -24.735 1057 H THR 579 HN THR 579 -16.451 -12.213 -23.159 1058 HA THR 579 HA THR 579 -15.500 -11.281 -25.618 1059 HB THR 579 HB THR 579 -17.238 -9.174 -25.366 1060 HG1 THR 579 HG1 THR 579 -19.309 -10.146 -25.268 1061 1HG2 THR 579 HG21 THR 579 -16.615 -11.023 -27.321 1062 2HG2 THR 579 HG22 THR 579 -17.637 -9.597 -27.500 1063 3HG2 THR 579 HG23 THR 579 -18.362 -11.162 -27.129 1064 H ALA 580 HN ALA 580 -14.210 -9.480 -25.410 1065 HA ALA 580 HA ALA 580 -13.214 -8.888 -22.847 1066 1HB ALA 580 HB1 ALA 580 -12.582 -8.218 -25.573 1067 2HB ALA 580 HB2 ALA 580 -11.529 -8.289 -24.160 1068 3HB ALA 580 HB3 ALA 580 -12.411 -6.806 -24.528 1069 H ALA 581 HN ALA 581 -16.011 -7.757 -24.341 1070 HA ALA 581 HA ALA 581 -16.184 -5.084 -23.765 1071 1HB ALA 581 HB1 ALA 581 -18.604 -6.647 -23.147 1072 2HB ALA 581 HB2 ALA 581 -17.899 -6.902 -24.743 1073 3HB ALA 581 HB3 ALA 581 -18.379 -5.281 -24.240 1074 H ARG 582 HN ARG 582 -16.326 -7.767 -21.503 1075 HA ARG 582 HA ARG 582 -17.478 -6.358 -19.337 1076 1HB ARG 582 HB2 ARG 582 -16.265 -8.942 -19.789 1077 2HB ARG 582 HB1 ARG 582 -15.708 -8.267 -18.265 1078 1HG ARG 582 HG2 ARG 582 -17.994 -8.002 -17.512 1079 2HG ARG 582 HG1 ARG 582 -18.594 -8.587 -19.065 1080 1HD ARG 582 HD2 ARG 582 -18.255 -10.732 -18.513 1081 2HD ARG 582 HD1 ARG 582 -16.679 -10.393 -17.801 1082 HE ARG 582 HE ARG 582 -18.890 -9.516 -16.187 1083 1HH1 ARG 582 HH11 ARG 582 -16.810 -12.205 -16.974 1084 2HH1 ARG 582 HH12 ARG 582 -17.062 -13.005 -15.459 1085 1HH2 ARG 582 HH21 ARG 582 -19.223 -10.565 -14.194 1086 2HH2 ARG 582 HH22 ARG 582 -18.433 -12.074 -13.880 1087 H ILE 583 HN ILE 583 -14.080 -7.129 -20.066 1088 HA ILE 583 HA ILE 583 -13.040 -5.515 -17.981 1089 HB ILE 583 HB ILE 583 -11.999 -7.328 -19.913 1090 1HG1 ILE 583 HG12 ILE 583 -10.395 -5.945 -17.784 1091 2HG1 ILE 583 HG11 ILE 583 -11.668 -7.076 -17.365 1092 1HG2 ILE 583 HG21 ILE 583 -11.255 -5.592 -21.330 1093 2HG2 ILE 583 HG22 ILE 583 -9.845 -6.130 -20.425 1094 3HG2 ILE 583 HG23 ILE 583 -10.659 -4.641 -19.974 1095 1HD1 ILE 583 HD11 ILE 583 -9.301 -7.960 -17.420 1096 2HD1 ILE 583 HD12 ILE 583 -9.385 -7.804 -19.171 1097 3HD1 ILE 583 HD13 ILE 583 -10.504 -8.877 -18.331 1098 H ALA 584 HN ALA 584 -13.854 -4.958 -21.345 1099 HA ALA 584 HA ALA 584 -12.611 -2.478 -21.741 1100 1HB ALA 584 HB1 ALA 584 -13.670 -2.496 -23.721 1101 2HB ALA 584 HB2 ALA 584 -15.253 -2.721 -22.976 1102 3HB ALA 584 HB3 ALA 584 -14.204 -4.110 -23.253 1103 H LYS 585 HN LYS 585 -15.687 -3.365 -20.294 1104 HA LYS 585 HA LYS 585 -16.666 -0.743 -19.892 1105 1HB LYS 585 HB2 LYS 585 -17.290 -3.442 -18.762 1106 2HB LYS 585 HB1 LYS 585 -17.926 -2.021 -17.947 1107 1HG LYS 585 HG2 LYS 585 -18.333 -2.103 -20.860 1108 2HG LYS 585 HG1 LYS 585 -19.200 -3.322 -19.925 1109 1HD LYS 585 HD2 LYS 585 -19.614 -1.052 -18.451 1110 2HD LYS 585 HD1 LYS 585 -19.622 -0.431 -20.102 1111 1HE LYS 585 HE2 LYS 585 -21.786 -1.035 -20.073 1112 2HE LYS 585 HE1 LYS 585 -21.154 -2.652 -20.373 1113 1HZ LYS 585 HZ1 LYS 585 -22.075 -1.483 -17.821 1114 2HZ LYS 585 HZ2 LYS 585 -21.064 -2.838 -17.848 1115 3HZ LYS 585 HZ3 LYS 585 -22.588 -2.907 -18.577 1116 H GLU 586 HN GLU 586 -14.565 -2.892 -18.086 1117 HA GLU 586 HA GLU 586 -14.508 -1.577 -15.643 1118 1HB GLU 586 HB2 GLU 586 -12.370 -3.153 -17.058 1119 2HB GLU 586 HB1 GLU 586 -12.189 -2.558 -15.417 1120 1HG GLU 586 HG2 GLU 586 -14.663 -4.049 -15.921 1121 2HG GLU 586 HG1 GLU 586 -13.180 -4.988 -16.077 1122 H MET 587 HN MET 587 -12.332 -0.967 -18.485 1123 HA MET 587 HA MET 587 -10.933 1.124 -17.161 1124 1HB MET 587 HB2 MET 587 -10.544 2.033 -19.551 1125 2HB MET 587 HB1 MET 587 -9.832 0.491 -19.117 1126 1HG MET 587 HG2 MET 587 -12.426 0.040 -20.182 1127 2HG MET 587 HG1 MET 587 -11.541 1.102 -21.273 1128 1HE MET 587 HE1 MET 587 -10.470 -1.261 -18.747 1129 2HE MET 587 HE2 MET 587 -8.995 -1.867 -19.514 1130 3HE MET 587 HE3 MET 587 -10.470 -2.828 -19.557 1131 H ILE 588 HN ILE 588 -13.761 1.158 -19.320 1132 HA ILE 588 HA ILE 588 -14.221 3.893 -19.363 1133 HB ILE 588 HB ILE 588 -15.847 1.473 -19.775 1134 1HG1 ILE 588 HG12 ILE 588 -16.616 3.730 -21.365 1135 2HG1 ILE 588 HG11 ILE 588 -14.859 3.682 -21.255 1136 1HG2 ILE 588 HG21 ILE 588 -18.001 2.713 -19.760 1137 2HG2 ILE 588 HG22 ILE 588 -17.183 4.036 -18.931 1138 3HG2 ILE 588 HG23 ILE 588 -17.308 2.455 -18.159 1139 1HD1 ILE 588 HD11 ILE 588 -16.541 2.170 -22.919 1140 2HD1 ILE 588 HD12 ILE 588 -15.833 1.051 -21.755 1141 3HD1 ILE 588 HD13 ILE 588 -14.789 2.062 -22.752 1142 H GLU 589 HN GLU 589 -14.669 1.521 -16.864 1143 HA GLU 589 HA GLU 589 -16.287 3.156 -15.165 1144 1HB GLU 589 HB2 GLU 589 -14.593 0.749 -14.465 1145 2HB GLU 589 HB1 GLU 589 -15.790 1.494 -13.420 1146 1HG GLU 589 HG2 GLU 589 -16.980 0.855 -15.942 1147 2HG GLU 589 HG1 GLU 589 -16.169 -0.565 -15.282 1148 H MET 590 HN MET 590 -12.839 2.432 -15.485 1149 HA MET 590 HA MET 590 -11.986 3.870 -13.224 1150 1HB MET 590 HB2 MET 590 -10.514 2.335 -14.436 1151 2HB MET 590 HB1 MET 590 -10.507 3.421 -15.812 1152 1HG MET 590 HG2 MET 590 -9.614 4.354 -13.116 1153 2HG MET 590 HG1 MET 590 -8.526 3.453 -14.155 1154 1HE MET 590 HE1 MET 590 -8.990 4.637 -17.155 1155 2HE MET 590 HE2 MET 590 -9.596 6.291 -17.194 1156 3HE MET 590 HE3 MET 590 -10.611 4.995 -16.569 1157 H LYS 591 HN LYS 591 -12.848 4.858 -16.452 1158 HA LYS 591 HA LYS 591 -11.848 7.497 -16.328 1159 1HB LYS 591 HB2 LYS 591 -13.968 6.129 -17.961 1160 2HB LYS 591 HB1 LYS 591 -13.775 7.874 -18.054 1161 1HG LYS 591 HG2 LYS 591 -11.953 7.715 -19.328 1162 2HG LYS 591 HG1 LYS 591 -11.258 6.437 -18.329 1163 1HD LYS 591 HD2 LYS 591 -12.424 4.752 -19.486 1164 2HD LYS 591 HD1 LYS 591 -13.520 5.913 -20.236 1165 1HE LYS 591 HE2 LYS 591 -11.971 5.215 -21.905 1166 2HE LYS 591 HE1 LYS 591 -11.546 6.863 -21.446 1167 1HZ LYS 591 HZ1 LYS 591 -9.986 5.577 -19.787 1168 2HZ LYS 591 HZ2 LYS 591 -9.507 5.894 -21.377 1169 3HZ LYS 591 HZ3 LYS 591 -10.102 4.366 -20.963 1170 H LYS 592 HN LYS 592 -14.867 5.967 -15.382 1171 HA LYS 592 HA LYS 592 -16.227 8.353 -14.666 1172 1HB LYS 592 HB2 LYS 592 -16.909 5.687 -14.899 1173 2HB LYS 592 HB1 LYS 592 -17.021 5.974 -13.168 1174 1HG LYS 592 HG2 LYS 592 -19.132 6.543 -13.763 1175 2HG LYS 592 HG1 LYS 592 -18.355 8.112 -13.985 1176 1HD LYS 592 HD2 LYS 592 -18.726 6.084 -16.184 1177 2HD LYS 592 HD1 LYS 592 -19.837 7.418 -15.873 1178 1HE LYS 592 HE2 LYS 592 -18.062 9.023 -16.274 1179 2HE LYS 592 HE1 LYS 592 -16.903 7.715 -16.501 1180 1HZ LYS 592 HZ1 LYS 592 -19.312 7.899 -18.193 1181 2HZ LYS 592 HZ2 LYS 592 -17.846 7.122 -18.515 1182 3HZ LYS 592 HZ3 LYS 592 -17.933 8.810 -18.558 1183 H MET 593 HN MET 593 -14.018 6.227 -12.982 1184 HA MET 593 HA MET 593 -14.537 7.084 -10.351 1185 1HB MET 593 HB2 MET 593 -11.887 6.126 -11.439 1186 2HB MET 593 HB1 MET 593 -12.422 6.080 -9.764 1187 1HG MET 593 HG2 MET 593 -14.311 4.581 -10.604 1188 2HG MET 593 HG1 MET 593 -13.355 4.425 -12.073 1189 1HE MET 593 HE1 MET 593 -9.969 3.104 -10.533 1190 2HE MET 593 HE2 MET 593 -10.626 4.459 -11.451 1191 3HE MET 593 HE3 MET 593 -10.851 2.809 -12.034 1192 H LEU 594 HN LEU 594 -12.009 8.130 -12.642 1193 HA LEU 594 HA LEU 594 -11.180 10.256 -10.890 1194 1HB LEU 594 HB2 LEU 594 -9.681 10.896 -12.766 1195 2HB LEU 594 HB1 LEU 594 -9.482 9.243 -12.220 1196 HG LEU 594 HG LEU 594 -11.061 8.643 -14.190 1197 1HD1 LEU 594 HD11 LEU 594 -10.429 11.495 -14.695 1198 2HD1 LEU 594 HD12 LEU 594 -11.877 10.567 -15.085 1199 3HD1 LEU 594 HD13 LEU 594 -10.426 10.394 -16.073 1200 1HD2 LEU 594 HD21 LEU 594 -8.560 8.229 -13.923 1201 2HD2 LEU 594 HD22 LEU 594 -8.333 9.652 -14.939 1202 3HD2 LEU 594 HD23 LEU 594 -9.201 8.250 -15.566 1203 H SER 595 HN SER 595 -13.450 9.891 -13.466 1204 HA SER 595 HA SER 595 -14.822 11.346 -14.560 1205 1HB SER 595 HB2 SER 595 -14.626 13.274 -12.284 1206 2HB SER 595 HB1 SER 595 -16.049 12.719 -13.166 1207 HG SER 595 HG SER 595 -14.709 11.550 -11.019 1208 H SER 596 HN SER 596 -15.088 14.060 -14.663 1209 HA SER 596 HA SER 596 -12.748 14.799 -16.184 1210 1HB SER 596 HB2 SER 596 -14.038 16.722 -16.894 1211 2HB SER 596 HB1 SER 596 -15.069 15.294 -16.965 1212 HG SER 596 HG SER 596 -15.922 17.298 -15.927 1213 H SER 597 HN SER 597 -11.867 17.063 -15.944 1214 HA SER 597 HA SER 597 -11.860 18.026 -13.185 1215 1HB SER 597 HB2 SER 597 -9.277 18.247 -13.461 1216 2HB SER 597 HB1 SER 597 -9.956 16.684 -13.008 1217 HG SER 597 HG SER 597 -9.812 16.071 -15.203 Start of MODEL 3 1 1H MET 452 HT1 MET 452 2.461 0.460 23.100 2 2H MET 452 HT2 MET 452 2.386 2.173 23.044 3 3H MET 452 HT3 MET 452 1.767 1.330 24.403 4 HA MET 452 HA MET 452 3.964 2.425 24.674 5 1HB MET 452 HB2 MET 452 3.171 -0.372 25.282 6 2HB MET 452 HB1 MET 452 4.842 0.065 25.613 7 1HG MET 452 HG2 MET 452 4.299 1.373 27.355 8 2HG MET 452 HG1 MET 452 2.822 1.961 26.593 9 1HE MET 452 HE1 MET 452 2.985 -2.301 28.309 10 2HE MET 452 HE2 MET 452 4.364 -1.231 28.566 11 3HE MET 452 HE3 MET 452 3.894 -1.684 26.928 12 H ALA 453 HN ALA 453 4.108 -0.703 22.958 13 HA ALA 453 HA ALA 453 6.838 -0.423 22.238 14 1HB ALA 453 HB1 ALA 453 6.303 -2.620 22.159 15 2HB ALA 453 HB2 ALA 453 5.978 -2.239 20.467 16 3HB ALA 453 HB3 ALA 453 4.650 -2.312 21.625 17 H LYS 454 HN LYS 454 3.802 0.204 20.533 18 HA LYS 454 HA LYS 454 5.110 0.963 18.091 19 1HB LYS 454 HB2 LYS 454 2.262 1.196 19.060 20 2HB LYS 454 HB1 LYS 454 2.783 1.787 17.488 21 1HG LYS 454 HG2 LYS 454 3.324 -1.042 18.279 22 2HG LYS 454 HG1 LYS 454 1.731 -0.567 17.687 23 1HD LYS 454 HD2 LYS 454 2.693 -1.114 15.698 24 2HD LYS 454 HD1 LYS 454 3.206 0.571 15.790 25 1HE LYS 454 HE2 LYS 454 5.316 -0.105 15.650 26 2HE LYS 454 HE1 LYS 454 5.127 -0.920 17.201 27 1HZ LYS 454 HZ1 LYS 454 4.961 -2.034 14.487 28 2HZ LYS 454 HZ2 LYS 454 4.091 -2.774 15.733 29 3HZ LYS 454 HZ3 LYS 454 5.772 -2.634 15.846 30 H LYS 455 HN LYS 455 6.017 2.857 17.664 31 HA LYS 455 HA LYS 455 5.102 5.226 19.156 32 1HB LYS 455 HB2 LYS 455 7.629 4.020 19.316 33 2HB LYS 455 HB1 LYS 455 7.861 5.443 18.309 34 1HG LYS 455 HG2 LYS 455 7.788 6.778 20.073 35 2HG LYS 455 HG1 LYS 455 6.243 6.100 20.588 36 1HD LYS 455 HD2 LYS 455 7.203 4.768 22.127 37 2HD LYS 455 HD1 LYS 455 8.560 4.364 21.073 38 1HE LYS 455 HE2 LYS 455 9.336 5.581 23.025 39 2HE LYS 455 HE1 LYS 455 9.578 6.539 21.565 40 1HZ LYS 455 HZ1 LYS 455 7.170 7.382 22.316 41 2HZ LYS 455 HZ2 LYS 455 8.608 8.125 22.807 42 3HZ LYS 455 HZ3 LYS 455 7.833 7.026 23.833 43 H LEU 456 HN LEU 456 4.287 4.258 16.534 44 HA LEU 456 HA LEU 456 4.487 6.699 15.099 45 1HB LEU 456 HB2 LEU 456 6.383 4.545 14.467 46 2HB LEU 456 HB1 LEU 456 5.505 5.160 13.080 47 HG LEU 456 HG LEU 456 6.607 7.272 14.786 48 1HD1 LEU 456 HD11 LEU 456 8.831 6.870 14.638 49 2HD1 LEU 456 HD12 LEU 456 8.677 5.925 13.156 50 3HD1 LEU 456 HD13 LEU 456 8.276 5.197 14.711 51 1HD2 LEU 456 HD21 LEU 456 5.578 7.493 12.495 52 2HD2 LEU 456 HD22 LEU 456 7.030 6.721 11.859 53 3HD2 LEU 456 HD23 LEU 456 7.151 8.263 12.705 54 H LEU 457 HN LEU 457 2.617 6.906 14.068 55 HA LEU 457 HA LEU 457 1.277 4.474 13.082 56 1HB LEU 457 HB2 LEU 457 -0.872 5.471 13.673 57 2HB LEU 457 HB1 LEU 457 0.150 5.270 15.084 58 HG LEU 457 HG LEU 457 0.664 7.871 14.159 59 1HD1 LEU 457 HD11 LEU 457 -1.295 8.896 13.637 60 2HD1 LEU 457 HD12 LEU 457 -2.272 7.738 14.538 61 3HD1 LEU 457 HD13 LEU 457 -1.630 7.305 12.954 62 1HD2 LEU 457 HD21 LEU 457 0.512 6.873 16.505 63 2HD2 LEU 457 HD22 LEU 457 -1.220 7.180 16.391 64 3HD2 LEU 457 HD23 LEU 457 -0.079 8.520 16.283 65 HA PRO 458 HA PRO 458 2.042 7.355 9.511 66 1HB PRO 458 HB2 PRO 458 1.840 4.730 8.140 67 2HB PRO 458 HB1 PRO 458 3.036 6.015 7.941 68 1HG PRO 458 HG2 PRO 458 3.652 3.761 9.226 69 2HG PRO 458 HG1 PRO 458 4.275 5.328 9.776 70 1HD PRO 458 HD2 PRO 458 2.049 3.674 10.893 71 2HD PRO 458 HD1 PRO 458 3.275 4.637 11.743 72 H ALA 459 HN ALA 459 0.834 6.936 7.191 73 HA ALA 459 HA ALA 459 -1.985 7.111 7.874 74 1HB ALA 459 HB1 ALA 459 -2.062 8.595 6.223 75 2HB ALA 459 HB2 ALA 459 -1.474 7.403 5.063 76 3HB ALA 459 HB3 ALA 459 -0.328 8.370 5.992 77 H PHE 460 HN PHE 460 -0.461 5.686 4.996 78 HA PHE 460 HA PHE 460 -2.394 3.493 5.140 79 1HB PHE 460 HB2 PHE 460 -1.146 4.978 2.993 80 2HB PHE 460 HB1 PHE 460 -0.911 3.249 2.770 81 HD1 PHE 460 HD1 PHE 460 -2.886 5.785 1.752 82 HD2 PHE 460 HD2 PHE 460 -3.254 1.948 3.556 83 HE1 PHE 460 HE1 PHE 460 -5.174 5.595 0.870 84 HE2 PHE 460 HE2 PHE 460 -5.543 1.750 2.677 85 HZ PHE 460 HZ PHE 460 -6.506 3.575 1.331 86 H GLN 461 HN GLN 461 -0.434 3.315 7.042 87 HA GLN 461 HA GLN 461 1.901 1.960 6.394 88 1HB GLN 461 HB2 GLN 461 1.550 2.820 8.617 89 2HB GLN 461 HB1 GLN 461 0.162 1.769 8.856 90 1HG GLN 461 HG2 GLN 461 2.557 0.280 8.190 91 2HG GLN 461 HG1 GLN 461 2.762 1.272 9.632 92 1HE2 GLN 461 HE21 GLN 461 1.096 -1.407 8.205 93 2HE2 GLN 461 HE22 GLN 461 0.383 -2.008 9.659 94 H ASN 462 HN ASN 462 -1.357 0.708 6.945 95 HA ASN 462 HA ASN 462 -0.788 -2.017 6.975 96 1HB ASN 462 HB2 ASN 462 -3.028 -0.696 7.349 97 2HB ASN 462 HB1 ASN 462 -3.268 -1.012 5.633 98 1HD2 ASN 462 HD21 ASN 462 -2.807 -3.368 5.027 99 2HD2 ASN 462 HD22 ASN 462 -3.498 -4.557 6.073 100 H ALA 463 HN ALA 463 -1.557 0.091 4.224 101 HA ALA 463 HA ALA 463 -1.507 -1.863 2.223 102 1HB ALA 463 HB1 ALA 463 -0.786 1.053 1.978 103 2HB ALA 463 HB2 ALA 463 -2.417 0.386 1.900 104 3HB ALA 463 HB3 ALA 463 -1.235 -0.027 0.656 105 H GLU 464 HN GLU 464 1.078 0.198 3.491 106 HA GLU 464 HA GLU 464 3.061 -0.689 1.681 107 1HB GLU 464 HB2 GLU 464 2.862 1.294 3.597 108 2HB GLU 464 HB1 GLU 464 4.083 0.215 4.258 109 1HG GLU 464 HG2 GLU 464 5.496 0.503 2.409 110 2HG GLU 464 HG1 GLU 464 4.211 1.218 1.436 111 H ARG 465 HN ARG 465 2.336 -1.633 5.045 112 HA ARG 465 HA ARG 465 4.472 -3.351 5.411 113 1HB ARG 465 HB2 ARG 465 3.303 -4.293 7.252 114 2HB ARG 465 HB1 ARG 465 2.871 -2.595 7.175 115 1HG ARG 465 HG2 ARG 465 0.717 -3.077 6.364 116 2HG ARG 465 HG1 ARG 465 1.141 -4.750 6.009 117 1HD ARG 465 HD2 ARG 465 1.269 -5.300 8.313 118 2HD ARG 465 HD1 ARG 465 1.182 -3.606 8.788 119 HE ARG 465 HE ARG 465 -1.146 -4.022 7.454 120 1HH1 ARG 465 HH11 ARG 465 0.424 -5.611 10.134 121 2HH1 ARG 465 HH12 ARG 465 -1.060 -6.111 10.871 122 1HH2 ARG 465 HH21 ARG 465 -3.102 -4.679 8.421 123 2HH2 ARG 465 HH22 ARG 465 -3.064 -5.583 9.898 124 H LEU 466 HN LEU 466 1.209 -4.260 4.179 125 HA LEU 466 HA LEU 466 2.003 -6.947 3.769 126 1HB LEU 466 HB2 LEU 466 -0.053 -7.341 2.785 127 2HB LEU 466 HB1 LEU 466 -0.382 -6.059 3.927 128 HG LEU 466 HG LEU 466 0.236 -5.097 1.233 129 1HD1 LEU 466 HD11 LEU 466 -2.483 -6.229 1.456 130 2HD1 LEU 466 HD12 LEU 466 -1.176 -7.371 1.147 131 3HD1 LEU 466 HD13 LEU 466 -1.452 -6.029 0.041 132 1HD2 LEU 466 HD21 LEU 466 -0.593 -3.456 2.568 133 2HD2 LEU 466 HD22 LEU 466 -1.643 -4.551 3.463 134 3HD2 LEU 466 HD23 LEU 466 -2.095 -4.020 1.842 135 H LEU 467 HN LEU 467 2.293 -4.036 1.867 136 HA LEU 467 HA LEU 467 2.837 -5.038 -0.672 137 1HB LEU 467 HB2 LEU 467 2.831 -2.589 0.297 138 2HB LEU 467 HB1 LEU 467 4.542 -2.879 0.516 139 HG LEU 467 HG LEU 467 4.577 -1.833 -1.501 140 1HD1 LEU 467 HD11 LEU 467 5.706 -3.794 -2.052 141 2HD1 LEU 467 HD12 LEU 467 4.586 -3.543 -3.394 142 3HD1 LEU 467 HD13 LEU 467 4.218 -4.736 -2.146 143 1HD2 LEU 467 HD21 LEU 467 1.800 -2.535 -1.576 144 2HD2 LEU 467 HD22 LEU 467 2.540 -2.829 -3.151 145 3HD2 LEU 467 HD23 LEU 467 2.648 -1.232 -2.409 146 H LEU 468 HN LEU 468 4.837 -4.819 2.185 147 HA LEU 468 HA LEU 468 7.211 -5.853 1.010 148 1HB LEU 468 HB2 LEU 468 6.691 -6.120 3.926 149 2HB LEU 468 HB1 LEU 468 8.159 -5.665 3.090 150 HG LEU 468 HG LEU 468 5.760 -3.917 3.614 151 1HD1 LEU 468 HD11 LEU 468 6.961 -2.902 5.239 152 2HD1 LEU 468 HD12 LEU 468 8.504 -3.187 4.432 153 3HD1 LEU 468 HD13 LEU 468 7.722 -4.492 5.326 154 1HD2 LEU 468 HD21 LEU 468 6.965 -2.139 2.485 155 2HD2 LEU 468 HD22 LEU 468 6.683 -3.482 1.379 156 3HD2 LEU 468 HD23 LEU 468 8.278 -3.250 2.095 157 H ALA 469 HN ALA 469 4.420 -7.256 2.648 158 HA ALA 469 HA ALA 469 5.439 -9.750 3.304 159 1HB ALA 469 HB1 ALA 469 3.207 -8.869 3.955 160 2HB ALA 469 HB2 ALA 469 3.174 -10.533 3.375 161 3HB ALA 469 HB3 ALA 469 2.641 -9.223 2.323 162 H HIS 470 HN HIS 470 3.882 -8.784 0.242 163 HA HIS 470 HA HIS 470 4.404 -11.358 -0.959 164 1HB HIS 470 HB2 HIS 470 3.881 -9.061 -2.755 165 2HB HIS 470 HB1 HIS 470 3.139 -10.653 -2.727 166 HD1 HIS 470 HD1 HIS 470 2.943 -7.365 -0.836 167 HD2 HIS 470 HD2 HIS 470 0.604 -10.674 -1.743 168 HE1 HIS 470 HE1 HIS 470 0.647 -6.829 0.031 169 HE2 HIS 470 HE2 HIS 470 -0.725 -8.882 -0.443 170 H MET 471 HN MET 471 5.680 -8.155 -0.998 171 HA MET 471 HA MET 471 7.591 -8.157 -2.967 172 1HB MET 471 HB2 MET 471 6.973 -6.749 -0.525 173 2HB MET 471 HB1 MET 471 8.692 -6.817 -0.806 174 1HG MET 471 HG2 MET 471 8.114 -5.961 -3.163 175 2HG MET 471 HG1 MET 471 6.569 -5.510 -2.432 176 1HE MET 471 HE1 MET 471 9.740 -5.761 -0.322 177 2HE MET 471 HE2 MET 471 10.514 -4.180 -0.519 178 3HE MET 471 HE3 MET 471 10.458 -5.313 -1.874 179 H MET 472 HN MET 472 7.889 -9.210 0.374 180 HA MET 472 HA MET 472 10.623 -9.651 0.475 181 1HB MET 472 HB2 MET 472 8.299 -10.735 2.015 182 2HB MET 472 HB1 MET 472 9.920 -11.343 2.321 183 1HG MET 472 HG2 MET 472 10.696 -9.168 2.932 184 2HG MET 472 HG1 MET 472 9.182 -8.430 2.420 185 1HE MET 472 HE1 MET 472 8.761 -7.529 5.811 186 2HE MET 472 HE2 MET 472 7.287 -7.876 4.891 187 3HE MET 472 HE3 MET 472 8.709 -7.199 4.081 188 H ARG 473 HN ARG 473 8.478 -11.289 -1.467 189 HA ARG 473 HA ARG 473 10.373 -13.533 -1.665 190 1HB ARG 473 HB2 ARG 473 7.366 -13.747 -1.620 191 2HB ARG 473 HB1 ARG 473 8.439 -15.058 -2.088 192 1HG ARG 473 HG2 ARG 473 9.166 -15.415 0.048 193 2HG ARG 473 HG1 ARG 473 8.873 -13.747 0.543 194 1HD ARG 473 HD2 ARG 473 6.798 -14.210 1.228 195 2HD ARG 473 HD1 ARG 473 6.434 -15.126 -0.233 196 HE ARG 473 HE ARG 473 6.751 -17.016 0.986 197 1HH1 ARG 473 HH11 ARG 473 8.600 -14.459 2.475 198 2HH1 ARG 473 HH12 ARG 473 9.148 -15.448 3.786 199 1HH2 ARG 473 HH21 ARG 473 7.470 -18.320 2.711 200 2HH2 ARG 473 HH22 ARG 473 8.508 -17.640 3.920 201 H SER 474 HN SER 474 7.381 -12.592 -3.354 202 HA SER 474 HA SER 474 8.341 -13.444 -5.866 203 1HB SER 474 HB2 SER 474 6.035 -13.415 -5.788 204 2HB SER 474 HB1 SER 474 5.975 -11.875 -4.933 205 HG SER 474 HG SER 474 5.601 -12.226 -7.465 206 H ARG 475 HN ARG 475 9.846 -12.554 -7.089 207 HA ARG 475 HA ARG 475 10.901 -9.973 -6.653 208 1HB ARG 475 HB2 ARG 475 12.258 -10.357 -8.618 209 2HB ARG 475 HB1 ARG 475 12.173 -11.838 -7.679 210 1HG ARG 475 HG2 ARG 475 10.890 -12.927 -9.241 211 2HG ARG 475 HG1 ARG 475 10.234 -11.429 -9.904 212 1HD ARG 475 HD2 ARG 475 12.751 -11.018 -10.563 213 2HD ARG 475 HD1 ARG 475 12.836 -12.775 -10.446 214 HE ARG 475 HE ARG 475 11.651 -11.269 -12.538 215 1HH1 ARG 475 HH11 ARG 475 11.263 -14.214 -10.703 216 2HH1 ARG 475 HH12 ARG 475 10.424 -15.041 -11.971 217 1HH2 ARG 475 HH21 ARG 475 10.549 -12.356 -14.206 218 2HH2 ARG 475 HH22 ARG 475 10.019 -13.987 -13.962 219 H ASP 476 HN ASP 476 8.144 -11.033 -8.401 220 HA ASP 476 HA ASP 476 8.034 -8.963 -10.337 221 1HB ASP 476 HB2 ASP 476 6.534 -11.257 -9.737 222 2HB ASP 476 HB1 ASP 476 5.420 -9.915 -9.494 223 H VAL 477 HN VAL 477 6.484 -9.474 -7.196 224 HA VAL 477 HA VAL 477 5.252 -6.964 -7.115 225 HB VAL 477 HB VAL 477 4.346 -8.483 -5.588 226 1HG1 VAL 477 HG11 VAL 477 7.102 -8.935 -4.470 227 2HG1 VAL 477 HG12 VAL 477 6.211 -10.038 -5.512 228 3HG1 VAL 477 HG13 VAL 477 5.615 -9.682 -3.899 229 1HG2 VAL 477 HG21 VAL 477 5.260 -6.063 -4.675 230 2HG2 VAL 477 HG22 VAL 477 5.844 -7.184 -3.447 231 3HG2 VAL 477 HG23 VAL 477 4.124 -7.117 -3.833 232 H ALA 478 HN ALA 478 8.428 -8.107 -6.170 233 HA ALA 478 HA ALA 478 9.338 -5.874 -4.757 234 1HB ALA 478 HB1 ALA 478 10.512 -8.107 -5.086 235 2HB ALA 478 HB2 ALA 478 11.530 -6.668 -5.147 236 3HB ALA 478 HB3 ALA 478 11.055 -7.477 -6.641 237 H LEU 479 HN LEU 479 8.925 -6.466 -8.179 238 HA LEU 479 HA LEU 479 10.346 -4.162 -9.068 239 1HB LEU 479 HB2 LEU 479 9.819 -4.836 -11.171 240 2HB LEU 479 HB1 LEU 479 9.482 -6.342 -10.341 241 HG LEU 479 HG LEU 479 7.056 -5.202 -10.168 242 1HD1 LEU 479 HD11 LEU 479 8.149 -4.225 -12.801 243 2HD1 LEU 479 HD12 LEU 479 7.823 -3.200 -11.404 244 3HD1 LEU 479 HD13 LEU 479 6.499 -4.047 -12.204 245 1HD2 LEU 479 HD21 LEU 479 8.169 -7.344 -11.463 246 2HD2 LEU 479 HD22 LEU 479 7.456 -6.430 -12.791 247 3HD2 LEU 479 HD23 LEU 479 6.452 -6.946 -11.436 248 H VAL 480 HN VAL 480 6.999 -4.854 -8.200 249 HA VAL 480 HA VAL 480 5.872 -2.463 -9.137 250 HB VAL 480 HB VAL 480 3.930 -2.942 -7.950 251 1HG1 VAL 480 HG11 VAL 480 4.120 -5.678 -8.028 252 2HG1 VAL 480 HG12 VAL 480 5.366 -5.154 -9.157 253 3HG1 VAL 480 HG13 VAL 480 3.700 -4.624 -9.375 254 1HG2 VAL 480 HG21 VAL 480 3.932 -3.480 -5.795 255 2HG2 VAL 480 HG22 VAL 480 5.664 -3.762 -5.851 256 3HG2 VAL 480 HG23 VAL 480 4.551 -5.078 -6.197 257 H VAL 481 HN VAL 481 7.511 -3.207 -6.123 258 HA VAL 481 HA VAL 481 6.786 -0.767 -4.871 259 HB VAL 481 HB VAL 481 7.446 -2.510 -3.415 260 1HG1 VAL 481 HG11 VAL 481 10.071 -2.625 -4.878 261 2HG1 VAL 481 HG12 VAL 481 8.778 -3.818 -4.969 262 3HG1 VAL 481 HG13 VAL 481 9.647 -3.565 -3.460 263 1HG2 VAL 481 HG21 VAL 481 8.604 -1.242 -1.979 264 2HG2 VAL 481 HG22 VAL 481 8.528 -0.016 -3.243 265 3HG2 VAL 481 HG23 VAL 481 9.956 -1.040 -3.093 266 H GLN 482 HN GLN 482 9.815 -1.848 -6.433 267 HA GLN 482 HA GLN 482 11.060 0.677 -6.229 268 1HB GLN 482 HB2 GLN 482 12.599 -0.301 -8.038 269 2HB GLN 482 HB1 GLN 482 12.542 -1.103 -6.476 270 1HG GLN 482 HG2 GLN 482 11.945 -3.007 -7.420 271 2HG GLN 482 HG1 GLN 482 10.563 -2.239 -8.199 272 1HE2 GLN 482 HE21 GLN 482 10.543 -2.402 -10.314 273 2HE2 GLN 482 HE22 GLN 482 11.922 -2.537 -11.344 274 H GLU 483 HN GLU 483 9.440 -0.911 -8.979 275 HA GLU 483 HA GLU 483 9.862 1.344 -10.695 276 1HB GLU 483 HB2 GLU 483 9.776 -0.997 -11.501 277 2HB GLU 483 HB1 GLU 483 8.060 -1.036 -11.120 278 1HG GLU 483 HG2 GLU 483 7.832 0.956 -12.684 279 2HG GLU 483 HG1 GLU 483 9.468 0.578 -13.219 280 H ARG 484 HN ARG 484 6.954 -0.001 -9.105 281 HA ARG 484 HA ARG 484 5.393 2.227 -10.130 282 1HB ARG 484 HB2 ARG 484 4.820 -0.426 -9.066 283 2HB ARG 484 HB1 ARG 484 3.732 0.805 -8.439 284 1HG ARG 484 HG2 ARG 484 2.561 0.333 -10.293 285 2HG ARG 484 HG1 ARG 484 3.708 1.435 -11.058 286 1HD ARG 484 HD2 ARG 484 4.693 -0.210 -12.221 287 2HD ARG 484 HD1 ARG 484 4.665 -1.322 -10.853 288 HE ARG 484 HE ARG 484 2.063 -0.987 -11.922 289 1HH1 ARG 484 HH11 ARG 484 5.118 -2.548 -12.568 290 2HH1 ARG 484 HH12 ARG 484 4.409 -3.829 -13.494 291 1HH2 ARG 484 HH21 ARG 484 1.131 -2.671 -13.139 292 2HH2 ARG 484 HH22 ARG 484 2.146 -3.899 -13.819 293 H ILE 485 HN ILE 485 6.142 0.884 -6.908 294 HA ILE 485 HA ILE 485 4.931 3.045 -5.522 295 HB ILE 485 HB ILE 485 6.947 1.023 -4.565 296 1HG1 ILE 485 HG12 ILE 485 3.940 1.180 -4.332 297 2HG1 ILE 485 HG11 ILE 485 4.860 0.011 -5.276 298 1HG2 ILE 485 HG21 ILE 485 5.398 3.122 -3.099 299 2HG2 ILE 485 HG22 ILE 485 7.133 2.804 -3.065 300 3HG2 ILE 485 HG23 ILE 485 6.013 1.677 -2.299 301 1HD1 ILE 485 HD11 ILE 485 4.259 0.076 -2.413 302 2HD1 ILE 485 HD12 ILE 485 5.916 -0.383 -2.822 303 3HD1 ILE 485 HD13 ILE 485 4.557 -1.291 -3.488 304 H GLY 486 HN GLY 486 5.963 4.657 -4.235 305 1HA GLY 486 HA2 GLY 486 8.534 5.546 -5.386 306 2HA GLY 486 HA1 GLY 486 7.296 6.627 -4.759 307 H GLY 487 HN GLY 487 8.345 7.655 -3.134 308 1HA GLY 487 HA2 GLY 487 8.560 6.646 -0.619 309 2HA GLY 487 HA1 GLY 487 10.106 6.237 -1.344 310 H ARG 488 HN ARG 488 9.569 7.998 0.897 311 HA ARG 488 HA ARG 488 10.876 10.403 -0.160 312 1HB ARG 488 HB2 ARG 488 8.323 10.637 0.367 313 2HB ARG 488 HB1 ARG 488 8.856 10.661 2.042 314 1HG ARG 488 HG2 ARG 488 10.277 12.479 0.207 315 2HG ARG 488 HG1 ARG 488 8.584 12.860 0.535 316 1HD ARG 488 HD2 ARG 488 8.969 13.303 2.739 317 2HD ARG 488 HD1 ARG 488 10.316 12.172 2.844 318 HE ARG 488 HE ARG 488 11.747 13.862 2.248 319 1HH1 ARG 488 HH11 ARG 488 8.465 14.874 1.628 320 2HH1 ARG 488 HH12 ARG 488 8.903 16.516 1.297 321 1HH2 ARG 488 HH21 ARG 488 12.324 16.022 1.812 322 2HH2 ARG 488 HH22 ARG 488 11.092 17.168 1.399 323 H PHE 489 HN PHE 489 9.758 9.182 3.004 324 HA PHE 489 HA PHE 489 12.418 8.701 3.922 325 1HB PHE 489 HB2 PHE 489 11.203 11.315 4.414 326 2HB PHE 489 HB1 PHE 489 11.705 10.504 5.893 327 HD1 PHE 489 HD1 PHE 489 14.125 9.237 5.459 328 HD2 PHE 489 HD2 PHE 489 12.733 12.822 3.636 329 HE1 PHE 489 HE1 PHE 489 16.450 9.929 5.055 330 HE2 PHE 489 HE2 PHE 489 15.057 13.520 3.227 331 HZ PHE 489 HZ PHE 489 16.919 12.072 3.936 332 H ASN 490 HN ASN 490 9.859 9.917 6.025 333 HA ASN 490 HA ASN 490 8.861 8.909 7.827 334 1HB ASN 490 HB2 ASN 490 7.758 8.048 5.476 335 2HB ASN 490 HB1 ASN 490 8.119 6.522 6.275 336 1HD2 ASN 490 HD21 ASN 490 5.573 7.933 5.662 337 2HD2 ASN 490 HD22 ASN 490 4.736 8.018 7.171 338 H ILE 491 HN ILE 491 8.405 6.198 8.442 339 HA ILE 491 HA ILE 491 10.581 5.509 9.948 340 HB ILE 491 HB ILE 491 9.724 3.223 10.055 341 1HG1 ILE 491 HG12 ILE 491 9.096 3.127 7.596 342 2HG1 ILE 491 HG11 ILE 491 7.942 2.414 8.715 343 1HG2 ILE 491 HG21 ILE 491 7.608 5.361 10.149 344 2HG2 ILE 491 HG22 ILE 491 8.696 4.885 11.452 345 3HG2 ILE 491 HG23 ILE 491 7.461 3.764 10.879 346 1HD1 ILE 491 HD11 ILE 491 7.680 4.752 6.951 347 2HD1 ILE 491 HD12 ILE 491 6.927 4.889 8.538 348 3HD1 ILE 491 HD13 ILE 491 6.479 3.568 7.462 349 H GLU 492 HN GLU 492 12.530 4.676 9.617 350 HA GLU 492 HA GLU 492 13.574 4.402 7.017 351 1HB GLU 492 HB2 GLU 492 14.728 3.581 9.678 352 2HB GLU 492 HB1 GLU 492 15.629 3.627 8.170 353 1HG GLU 492 HG2 GLU 492 14.541 6.134 8.277 354 2HG GLU 492 HG1 GLU 492 14.872 5.788 9.974 355 H GLU 493 HN GLU 493 12.889 1.913 9.487 356 HA GLU 493 HA GLU 493 13.906 -0.269 8.181 357 1HB GLU 493 HB2 GLU 493 12.716 -1.601 9.684 358 2HB GLU 493 HB1 GLU 493 12.959 -0.089 10.531 359 1HG GLU 493 HG2 GLU 493 10.415 -0.725 9.074 360 2HG GLU 493 HG1 GLU 493 10.694 -1.166 10.753 361 H HIS 494 HN HIS 494 10.507 0.844 7.925 362 HA HIS 494 HA HIS 494 9.725 -1.109 6.057 363 1HB HIS 494 HB2 HIS 494 8.577 1.254 7.237 364 2HB HIS 494 HB1 HIS 494 8.199 1.199 5.520 365 HD1 HIS 494 HD1 HIS 494 5.793 0.502 5.615 366 HD2 HIS 494 HD2 HIS 494 8.254 -1.954 7.891 367 HE1 HIS 494 HE1 HIS 494 4.336 -1.406 6.360 368 HE2 HIS 494 HE2 HIS 494 5.821 -2.828 7.814 369 H ARG 495 HN ARG 495 10.598 2.311 5.490 370 HA ARG 495 HA ARG 495 10.544 2.258 2.713 371 1HB ARG 495 HB2 ARG 495 11.920 4.223 2.752 372 2HB ARG 495 HB1 ARG 495 10.848 4.304 4.144 373 1HG ARG 495 HG2 ARG 495 12.579 3.776 5.640 374 2HG ARG 495 HG1 ARG 495 13.652 3.249 4.343 375 1HD ARG 495 HD2 ARG 495 12.653 6.056 4.333 376 2HD ARG 495 HD1 ARG 495 13.932 5.613 5.464 377 HE ARG 495 HE ARG 495 14.420 4.805 2.741 378 1HH1 ARG 495 HH11 ARG 495 14.789 7.354 5.098 379 2HH1 ARG 495 HH12 ARG 495 16.124 8.090 4.276 380 1HH2 ARG 495 HH21 ARG 495 16.174 5.774 1.660 381 2HH2 ARG 495 HH22 ARG 495 16.909 7.194 2.325 382 H ALA 496 HN ALA 496 12.901 1.082 4.990 383 HA ALA 496 HA ALA 496 15.017 0.666 3.148 384 1HB ALA 496 HB1 ALA 496 14.545 -0.865 5.697 385 2HB ALA 496 HB2 ALA 496 15.285 0.734 5.636 386 3HB ALA 496 HB3 ALA 496 16.070 -0.633 4.842 387 H LEU 497 HN LEU 497 12.142 -1.119 4.014 388 HA LEU 497 HA LEU 497 12.884 -3.638 2.984 389 1HB LEU 497 HB2 LEU 497 10.746 -2.785 4.324 390 2HB LEU 497 HB1 LEU 497 10.083 -2.689 2.707 391 HG LEU 497 HG LEU 497 9.565 -4.811 3.908 392 1HD1 LEU 497 HD11 LEU 497 11.238 -5.236 1.445 393 2HD1 LEU 497 HD12 LEU 497 9.604 -4.573 1.422 394 3HD1 LEU 497 HD13 LEU 497 9.882 -6.212 2.010 395 1HD2 LEU 497 HD21 LEU 497 12.358 -4.780 4.394 396 2HD2 LEU 497 HD22 LEU 497 11.986 -6.201 3.422 397 3HD2 LEU 497 HD23 LEU 497 11.156 -5.939 4.956 398 H ALA 498 HN ALA 498 10.993 -1.011 1.576 399 HA ALA 498 HA ALA 498 10.760 -2.015 -1.025 400 1HB ALA 498 HB1 ALA 498 10.782 0.763 0.100 401 2HB ALA 498 HB2 ALA 498 9.432 -0.166 -0.552 402 3HB ALA 498 HB3 ALA 498 10.661 0.484 -1.638 403 H ALA 499 HN ALA 499 13.323 -0.292 0.608 404 HA ALA 499 HA ALA 499 14.955 0.166 -1.685 405 1HB ALA 499 HB1 ALA 499 16.182 1.387 -0.280 406 2HB ALA 499 HB2 ALA 499 16.382 0.036 0.840 407 3HB ALA 499 HB3 ALA 499 14.940 1.051 0.928 408 H TYR 500 HN TYR 500 14.820 -2.348 0.834 409 HA TYR 500 HA TYR 500 17.216 -3.596 0.375 410 1HB TYR 500 HB2 TYR 500 14.578 -4.961 0.931 411 2HB TYR 500 HB1 TYR 500 16.165 -5.693 1.139 412 HD1 TYR 500 HD1 TYR 500 13.864 -5.208 3.166 413 HD2 TYR 500 HD2 TYR 500 17.483 -3.154 2.317 414 HE1 TYR 500 HE1 TYR 500 13.888 -4.361 5.443 415 HE2 TYR 500 HE2 TYR 500 17.530 -2.285 4.619 416 HH TYR 500 HH TYR 500 16.199 -1.939 6.480 417 H ILE 501 HN ILE 501 14.104 -4.343 -1.213 418 HA ILE 501 HA ILE 501 15.122 -6.237 -3.009 419 HB ILE 501 HB ILE 501 13.183 -5.658 -4.482 420 1HG1 ILE 501 HG12 ILE 501 11.512 -4.132 -3.034 421 2HG1 ILE 501 HG11 ILE 501 13.044 -3.412 -2.553 422 1HG2 ILE 501 HG21 ILE 501 11.514 -6.525 -2.974 423 2HG2 ILE 501 HG22 ILE 501 12.488 -6.063 -1.578 424 3HG2 ILE 501 HG23 ILE 501 13.056 -7.324 -2.673 425 1HD1 ILE 501 HD11 ILE 501 12.508 -2.120 -4.357 426 2HD1 ILE 501 HD12 ILE 501 11.715 -3.446 -5.206 427 3HD1 ILE 501 HD13 ILE 501 13.471 -3.373 -5.140 428 H TYR 502 HN TYR 502 14.882 -2.715 -3.262 429 HA TYR 502 HA TYR 502 15.514 -2.231 -5.865 430 1HB TYR 502 HB2 TYR 502 15.164 -0.543 -3.987 431 2HB TYR 502 HB1 TYR 502 16.874 -0.744 -3.619 432 HD1 TYR 502 HD1 TYR 502 14.474 0.945 -5.661 433 HD2 TYR 502 HD2 TYR 502 18.558 -0.235 -5.470 434 HE1 TYR 502 HE1 TYR 502 15.034 2.629 -7.363 435 HE2 TYR 502 HE2 TYR 502 19.129 1.445 -7.171 436 HH TYR 502 HH TYR 502 17.920 3.799 -7.913 437 H ALA 503 HN ALA 503 17.855 -2.923 -3.275 438 HA ALA 503 HA ALA 503 20.123 -2.869 -4.998 439 1HB ALA 503 HB1 ALA 503 19.606 -3.705 -2.190 440 2HB ALA 503 HB2 ALA 503 20.768 -2.541 -2.827 441 3HB ALA 503 HB3 ALA 503 21.081 -4.270 -2.973 442 H PHE 504 HN PHE 504 18.059 -5.438 -3.717 443 HA PHE 504 HA PHE 504 19.452 -7.659 -4.633 444 1HB PHE 504 HB2 PHE 504 16.565 -7.114 -4.065 445 2HB PHE 504 HB1 PHE 504 17.015 -8.635 -4.829 446 HD1 PHE 504 HD1 PHE 504 19.037 -9.873 -3.638 447 HD2 PHE 504 HD2 PHE 504 16.451 -7.051 -1.781 448 HE1 PHE 504 HE1 PHE 504 19.604 -10.809 -1.434 449 HE2 PHE 504 HE2 PHE 504 17.013 -7.981 0.425 450 HZ PHE 504 HZ PHE 504 18.593 -9.862 0.600 451 H TYR 505 HN TYR 505 17.574 -5.327 -6.372 452 HA TYR 505 HA TYR 505 17.180 -6.913 -8.720 453 1HB TYR 505 HB2 TYR 505 16.699 -4.097 -7.918 454 2HB TYR 505 HB1 TYR 505 16.903 -4.398 -9.642 455 HD1 TYR 505 HD1 TYR 505 14.921 -5.404 -6.674 456 HD2 TYR 505 HD2 TYR 505 15.152 -5.299 -10.918 457 HE1 TYR 505 HE1 TYR 505 12.590 -6.159 -6.802 458 HE2 TYR 505 HE2 TYR 505 12.817 -6.053 -11.066 459 HH TYR 505 HH TYR 505 11.244 -7.523 -9.189 460 H GLU 506 HN GLU 506 19.456 -4.381 -7.745 461 HA GLU 506 HA GLU 506 20.875 -4.184 -10.147 462 1HB GLU 506 HB2 GLU 506 21.786 -3.775 -7.294 463 2HB GLU 506 HB1 GLU 506 22.753 -3.351 -8.701 464 1HG GLU 506 HG2 GLU 506 20.595 -1.999 -9.357 465 2HG GLU 506 HG1 GLU 506 20.305 -2.066 -7.620 466 H GLU 507 HN GLU 507 20.891 -6.602 -7.660 467 HA GLU 507 HA GLU 507 23.269 -7.864 -8.836 468 1HB GLU 507 HB2 GLU 507 22.026 -7.876 -6.156 469 2HB GLU 507 HB1 GLU 507 22.670 -9.421 -6.696 470 1HG GLU 507 HG2 GLU 507 24.606 -8.701 -5.874 471 2HG GLU 507 HG1 GLU 507 24.699 -7.706 -7.325 472 H GLY 508 HN GLY 508 19.836 -8.174 -8.518 473 1HA GLY 508 HA2 GLY 508 18.368 -9.628 -9.523 474 2HA GLY 508 HA1 GLY 508 19.723 -10.251 -10.455 475 H HIS 509 HN HIS 509 17.821 -10.602 -7.546 476 HA HIS 509 HA HIS 509 18.817 -13.345 -7.314 477 1HB HIS 509 HB2 HIS 509 18.921 -11.270 -5.138 478 2HB HIS 509 HB1 HIS 509 18.855 -12.989 -4.764 479 HD1 HIS 509 HD1 HIS 509 20.861 -14.408 -6.089 480 HD2 HIS 509 HD2 HIS 509 21.449 -10.355 -5.382 481 HE1 HIS 509 HE1 HIS 509 23.343 -14.045 -6.278 482 HE2 HIS 509 HE2 HIS 509 23.667 -11.573 -5.914 483 H GLU 510 HN GLU 510 16.244 -11.634 -7.894 484 HA GLU 510 HA GLU 510 14.004 -11.914 -7.648 485 1HB GLU 510 HB2 GLU 510 14.492 -14.215 -8.275 486 2HB GLU 510 HB1 GLU 510 14.892 -14.613 -6.611 487 1HG GLU 510 HG2 GLU 510 12.778 -15.049 -6.129 488 2HG GLU 510 HG1 GLU 510 12.243 -13.502 -6.779 489 H ALA 511 HN ALA 511 15.169 -10.435 -5.658 490 HA ALA 511 HA ALA 511 14.651 -9.509 -3.644 491 1HB ALA 511 HB1 ALA 511 12.506 -11.532 -3.159 492 2HB ALA 511 HB2 ALA 511 12.296 -10.297 -4.402 493 3HB ALA 511 HB3 ALA 511 12.558 -9.823 -2.723 494 H ASP 512 HN ASP 512 14.147 -13.038 -3.320 495 HA ASP 512 HA ASP 512 15.063 -14.586 -1.941 496 1HB ASP 512 HB2 ASP 512 17.191 -12.494 -2.003 497 2HB ASP 512 HB1 ASP 512 17.304 -13.757 -0.782 498 HA PRO 513 HA PRO 513 12.702 -12.707 1.541 499 1HB PRO 513 HB2 PRO 513 12.655 -15.633 2.130 500 2HB PRO 513 HB1 PRO 513 11.348 -14.447 2.219 501 1HG PRO 513 HG2 PRO 513 11.501 -16.167 0.188 502 2HG PRO 513 HG1 PRO 513 10.968 -14.496 -0.062 503 1HD PRO 513 HD2 PRO 513 13.554 -15.785 -0.761 504 2HD PRO 513 HD1 PRO 513 12.696 -14.460 -1.571 505 H GLY 514 HN GLY 514 14.744 -15.594 2.048 506 1HA GLY 514 HA2 GLY 514 15.465 -15.034 4.678 507 2HA GLY 514 HA1 GLY 514 16.407 -16.025 3.574 508 H ALA 515 HN ALA 515 16.917 -13.918 1.672 509 HA ALA 515 HA ALA 515 19.158 -12.688 3.009 510 1HB ALA 515 HB1 ALA 515 19.293 -13.595 0.697 511 2HB ALA 515 HB2 ALA 515 19.801 -11.910 0.825 512 3HB ALA 515 HB3 ALA 515 18.210 -12.305 0.170 513 H LEU 516 HN LEU 516 16.011 -11.792 1.844 514 HA LEU 516 HA LEU 516 16.384 -8.967 2.015 515 1HB LEU 516 HB2 LEU 516 14.697 -10.371 0.628 516 2HB LEU 516 HB1 LEU 516 13.728 -10.347 2.084 517 HG LEU 516 HG LEU 516 12.826 -8.521 1.131 518 1HD1 LEU 516 HD11 LEU 516 13.973 -7.628 3.094 519 2HD1 LEU 516 HD12 LEU 516 13.863 -6.438 1.800 520 3HD1 LEU 516 HD13 LEU 516 15.388 -7.268 2.104 521 1HD2 LEU 516 HD21 LEU 516 14.824 -7.139 -0.293 522 2HD2 LEU 516 HD22 LEU 516 13.473 -8.073 -0.937 523 3HD2 LEU 516 HD23 LEU 516 15.029 -8.854 -0.655 524 H ILE 517 HN ILE 517 14.374 -11.216 3.921 525 HA ILE 517 HA ILE 517 13.598 -9.400 5.871 526 HB ILE 517 HB ILE 517 14.063 -12.309 6.481 527 1HG1 ILE 517 HG12 ILE 517 12.793 -12.694 4.616 528 2HG1 ILE 517 HG11 ILE 517 11.493 -12.333 5.736 529 1HG2 ILE 517 HG21 ILE 517 11.647 -10.909 7.398 530 2HG2 ILE 517 HG22 ILE 517 13.167 -10.311 8.065 531 3HG2 ILE 517 HG23 ILE 517 12.725 -12.007 8.260 532 1HD1 ILE 517 HD11 ILE 517 12.579 -10.680 3.505 533 2HD1 ILE 517 HD12 ILE 517 11.781 -9.895 4.866 534 3HD1 ILE 517 HD13 ILE 517 10.917 -11.088 3.900 535 H SER 518 HN SER 518 16.575 -11.159 5.498 536 HA SER 518 HA SER 518 17.493 -10.462 8.167 537 1HB SER 518 HB2 SER 518 19.239 -11.952 7.833 538 2HB SER 518 HB1 SER 518 17.990 -12.658 6.808 539 HG SER 518 HG SER 518 20.357 -12.037 6.046 540 H ARG 519 HN ARG 519 16.909 -8.217 6.533 541 HA ARG 519 HA ARG 519 19.584 -7.023 6.398 542 1HB ARG 519 HB2 ARG 519 17.956 -7.595 4.137 543 2HB ARG 519 HB1 ARG 519 17.976 -5.849 4.347 544 1HG ARG 519 HG2 ARG 519 20.007 -5.727 3.480 545 2HG ARG 519 HG1 ARG 519 20.626 -6.867 4.676 546 1HD ARG 519 HD2 ARG 519 19.048 -8.020 2.463 547 2HD ARG 519 HD1 ARG 519 20.614 -7.340 2.027 548 HE ARG 519 HE ARG 519 20.120 -9.731 3.544 549 1HH1 ARG 519 HH11 ARG 519 22.417 -7.193 2.872 550 2HH1 ARG 519 HH12 ARG 519 23.790 -8.137 3.346 551 1HH2 ARG 519 HH21 ARG 519 21.923 -10.975 4.171 552 2HH2 ARG 519 HH22 ARG 519 23.509 -10.284 4.084 553 H ILE 520 HN ILE 520 16.985 -6.965 8.072 554 HA ILE 520 HA ILE 520 16.249 -4.162 7.896 555 HB ILE 520 HB ILE 520 15.200 -5.664 10.183 556 1HG1 ILE 520 HG12 ILE 520 15.332 -7.492 8.507 557 2HG1 ILE 520 HG11 ILE 520 13.679 -7.069 8.916 558 1HG2 ILE 520 HG21 ILE 520 13.848 -3.921 9.974 559 2HG2 ILE 520 HG22 ILE 520 13.131 -4.778 8.615 560 3HG2 ILE 520 HG23 ILE 520 14.397 -3.592 8.330 561 1HD1 ILE 520 HD11 ILE 520 14.549 -5.533 6.681 562 2HD1 ILE 520 HD12 ILE 520 13.198 -6.657 6.818 563 3HD1 ILE 520 HD13 ILE 520 14.801 -7.251 6.379 564 HA PRO 521 HA PRO 521 18.864 -2.729 11.157 565 1HB PRO 521 HB2 PRO 521 16.794 -0.871 12.053 566 2HB PRO 521 HB1 PRO 521 18.330 -0.527 11.255 567 1HG PRO 521 HG2 PRO 521 15.945 -0.184 10.029 568 2HG PRO 521 HG1 PRO 521 17.415 -0.649 9.150 569 1HD PRO 521 HD2 PRO 521 15.132 -2.360 10.067 570 2HD PRO 521 HD1 PRO 521 16.014 -2.387 8.527 571 H GLY 522 HN GLY 522 15.432 -2.890 12.219 572 1HA GLY 522 HA2 GLY 522 15.938 -4.801 14.222 573 2HA GLY 522 HA1 GLY 522 16.020 -3.206 14.944 574 H GLU 523 HN GLU 523 13.862 -2.138 13.149 575 HA GLU 523 HA GLU 523 11.668 -3.161 14.766 576 1HB GLU 523 HB2 GLU 523 12.262 -0.678 13.349 577 2HB GLU 523 HB1 GLU 523 10.598 -1.206 13.137 578 1HG GLU 523 HG2 GLU 523 10.196 -0.166 15.058 579 2HG GLU 523 HG1 GLU 523 10.984 -1.544 15.825 580 H LEU 524 HN LEU 524 12.467 -2.857 11.297 581 HA LEU 524 HA LEU 524 10.034 -4.265 10.635 582 1HB LEU 524 HB2 LEU 524 10.539 -2.622 9.055 583 2HB LEU 524 HB1 LEU 524 12.222 -3.060 8.974 584 HG LEU 524 HG LEU 524 11.009 -5.328 8.042 585 1HD1 LEU 524 HD11 LEU 524 8.867 -3.844 8.129 586 2HD1 LEU 524 HD12 LEU 524 9.173 -4.889 6.741 587 3HD1 LEU 524 HD13 LEU 524 9.526 -3.164 6.640 588 1HD2 LEU 524 HD21 LEU 524 12.382 -4.926 6.357 589 2HD2 LEU 524 HD22 LEU 524 12.731 -3.355 7.076 590 3HD2 LEU 524 HD23 LEU 524 11.463 -3.507 5.863 591 H GLN 525 HN GLN 525 12.939 -5.139 11.879 592 HA GLN 525 HA GLN 525 13.523 -7.504 10.411 593 1HB GLN 525 HB2 GLN 525 14.546 -6.180 12.751 594 2HB GLN 525 HB1 GLN 525 14.291 -7.882 13.109 595 1HG GLN 525 HG2 GLN 525 15.562 -7.586 10.554 596 2HG GLN 525 HG1 GLN 525 16.459 -6.714 11.794 597 1HE2 GLN 525 HE21 GLN 525 16.035 -9.645 10.318 598 2HE2 GLN 525 HE22 GLN 525 16.771 -10.664 11.503 599 HA PRO 526 HA PRO 526 10.853 -9.702 13.786 600 1HB PRO 526 HB2 PRO 526 9.447 -7.492 15.126 601 2HB PRO 526 HB1 PRO 526 10.296 -8.868 15.835 602 1HG PRO 526 HG2 PRO 526 11.265 -6.358 15.973 603 2HG PRO 526 HG1 PRO 526 12.321 -7.778 15.858 604 1HD PRO 526 HD2 PRO 526 11.522 -5.831 13.734 605 2HD PRO 526 HD1 PRO 526 13.091 -6.600 14.028 606 H LEU 527 HN LEU 527 9.586 -6.537 12.712 607 HA LEU 527 HA LEU 527 6.956 -7.377 12.226 608 1HB LEU 527 HB2 LEU 527 8.506 -5.224 10.797 609 2HB LEU 527 HB1 LEU 527 6.767 -5.414 10.767 610 HG LEU 527 HG LEU 527 8.211 -4.990 13.363 611 1HD1 LEU 527 HD11 LEU 527 8.476 -2.779 13.055 612 2HD1 LEU 527 HD12 LEU 527 7.004 -2.631 12.097 613 3HD1 LEU 527 HD13 LEU 527 8.492 -3.201 11.342 614 1HD2 LEU 527 HD21 LEU 527 5.426 -4.958 12.376 615 2HD2 LEU 527 HD22 LEU 527 5.855 -3.744 13.581 616 3HD2 LEU 527 HD23 LEU 527 6.072 -5.458 13.939 617 H ALA 528 HN ALA 528 9.612 -6.972 9.873 618 HA ALA 528 HA ALA 528 8.284 -7.935 7.645 619 1HB ALA 528 HB1 ALA 528 10.509 -8.430 6.709 620 2HB ALA 528 HB2 ALA 528 11.212 -8.138 8.300 621 3HB ALA 528 HB3 ALA 528 10.401 -6.831 7.439 622 H SER 529 HN SER 529 10.141 -9.796 10.056 623 HA SER 529 HA SER 529 10.092 -12.255 8.759 624 1HB SER 529 HB2 SER 529 10.087 -11.502 11.674 625 2HB SER 529 HB1 SER 529 10.010 -13.195 11.186 626 HG SER 529 HG SER 529 12.074 -13.090 10.885 627 H GLU 530 HN GLU 530 7.695 -10.840 10.963 628 HA GLU 530 HA GLU 530 5.814 -12.979 10.626 629 1HB GLU 530 HB2 GLU 530 5.326 -10.168 11.635 630 2HB GLU 530 HB1 GLU 530 4.269 -11.556 11.857 631 1HG GLU 530 HG2 GLU 530 6.176 -12.640 13.111 632 2HG GLU 530 HG1 GLU 530 6.963 -11.063 13.084 633 H LEU 531 HN LEU 531 6.550 -9.981 9.084 634 HA LEU 531 HA LEU 531 4.136 -9.689 7.602 635 1HB LEU 531 HB2 LEU 531 6.230 -8.059 8.246 636 2HB LEU 531 HB1 LEU 531 6.530 -8.371 6.552 637 HG LEU 531 HG LEU 531 4.216 -7.590 6.052 638 1HD1 LEU 531 HD11 LEU 531 3.199 -6.164 7.908 639 2HD1 LEU 531 HD12 LEU 531 4.247 -7.060 9.007 640 3HD1 LEU 531 HD13 LEU 531 3.036 -7.914 8.050 641 1HD2 LEU 531 HD21 LEU 531 6.158 -6.117 5.826 642 2HD2 LEU 531 HD22 LEU 531 5.980 -5.624 7.510 643 3HD2 LEU 531 HD23 LEU 531 4.727 -5.226 6.337 644 H SER 532 HN SER 532 6.911 -11.642 7.144 645 HA SER 532 HA SER 532 7.389 -11.672 4.468 646 1HB SER 532 HB2 SER 532 8.269 -13.834 4.717 647 2HB SER 532 HB1 SER 532 8.366 -13.165 6.345 648 HG SER 532 HG SER 532 7.323 -14.936 6.825 649 H LEU 533 HN LEU 533 4.490 -12.700 6.049 650 HA LEU 533 HA LEU 533 3.168 -12.916 3.517 651 1HB LEU 533 HB2 LEU 533 3.981 -15.183 3.661 652 2HB LEU 533 HB1 LEU 533 3.398 -15.336 5.305 653 HG LEU 533 HG LEU 533 1.289 -15.846 4.657 654 1HD1 LEU 533 HD11 LEU 533 1.663 -13.682 2.677 655 2HD1 LEU 533 HD12 LEU 533 0.309 -14.020 3.751 656 3HD1 LEU 533 HD13 LEU 533 0.500 -14.937 2.259 657 1HD2 LEU 533 HD21 LEU 533 2.036 -17.598 3.476 658 2HD2 LEU 533 HD22 LEU 533 3.155 -16.617 2.529 659 3HD2 LEU 533 HD23 LEU 533 1.448 -16.683 2.088 660 H LEU 534 HN LEU 534 2.721 -10.987 5.265 661 HA LEU 534 HA LEU 534 0.852 -11.604 7.294 662 1HB LEU 534 HB2 LEU 534 1.234 -9.479 7.808 663 2HB LEU 534 HB1 LEU 534 2.181 -9.314 6.345 664 HG LEU 534 HG LEU 534 0.017 -8.734 5.158 665 1HD1 LEU 534 HD11 LEU 534 -1.253 -7.767 7.570 666 2HD1 LEU 534 HD12 LEU 534 -1.114 -9.524 7.571 667 3HD1 LEU 534 HD13 LEU 534 -1.928 -8.706 6.240 668 1HD2 LEU 534 HD21 LEU 534 1.855 -7.203 6.455 669 2HD2 LEU 534 HD22 LEU 534 0.348 -6.642 7.179 670 3HD2 LEU 534 HD23 LEU 534 0.563 -6.577 5.432 671 H LEU 535 HN LEU 535 0.585 -11.095 3.880 672 HA LEU 535 HA LEU 535 -1.898 -12.316 3.680 673 1HB LEU 535 HB2 LEU 535 -3.461 -10.621 3.347 674 2HB LEU 535 HB1 LEU 535 -2.558 -10.095 4.750 675 HG LEU 535 HG LEU 535 -1.209 -8.877 2.674 676 1HD1 LEU 535 HD11 LEU 535 -3.640 -7.773 1.854 677 2HD1 LEU 535 HD12 LEU 535 -3.867 -9.518 1.760 678 3HD1 LEU 535 HD13 LEU 535 -2.535 -8.756 0.894 679 1HD2 LEU 535 HD21 LEU 535 -3.283 -7.982 4.633 680 2HD2 LEU 535 HD22 LEU 535 -2.625 -6.850 3.453 681 3HD2 LEU 535 HD23 LEU 535 -1.552 -7.647 4.602 682 H ILE 536 HN ILE 536 -0.578 -13.340 2.148 683 HA ILE 536 HA ILE 536 -0.697 -12.131 -0.482 684 HB ILE 536 HB ILE 536 1.531 -12.083 -1.010 685 1HG1 ILE 536 HG12 ILE 536 1.793 -14.347 0.896 686 2HG1 ILE 536 HG11 ILE 536 2.440 -14.158 -0.722 687 1HG2 ILE 536 HG21 ILE 536 1.810 -11.673 1.950 688 2HG2 ILE 536 HG22 ILE 536 1.035 -10.515 0.872 689 3HG2 ILE 536 HG23 ILE 536 2.733 -10.921 0.651 690 1HD1 ILE 536 HD11 ILE 536 3.559 -12.628 1.604 691 2HD1 ILE 536 HD12 ILE 536 4.290 -12.954 0.035 692 3HD1 ILE 536 HD13 ILE 536 4.091 -14.259 1.200 693 H ALA 537 HN ALA 537 0.828 -13.915 -1.872 694 HA ALA 537 HA ALA 537 -0.097 -16.596 -1.181 695 1HB ALA 537 HB1 ALA 537 -0.465 -15.741 -4.002 696 2HB ALA 537 HB2 ALA 537 -1.655 -15.212 -2.814 697 3HB ALA 537 HB3 ALA 537 -1.357 -16.934 -3.056 698 H ASP 538 HN ASP 538 0.725 -17.975 -3.368 699 HA ASP 538 HA ASP 538 3.592 -17.757 -3.161 700 1HB ASP 538 HB2 ASP 538 1.659 -19.725 -4.228 701 2HB ASP 538 HB1 ASP 538 3.218 -19.674 -5.046 702 H ASP 539 HN ASP 539 2.257 -15.525 -4.430 703 HA ASP 539 HA ASP 539 3.972 -14.967 -6.536 704 1HB ASP 539 HB2 ASP 539 2.006 -16.760 -7.335 705 2HB ASP 539 HB1 ASP 539 1.439 -15.202 -7.915 706 H VAL 540 HN VAL 540 2.698 -13.774 -4.280 707 HA VAL 540 HA VAL 540 1.761 -11.861 -3.539 708 HB VAL 540 HB VAL 540 3.504 -10.807 -4.933 709 1HG1 VAL 540 HG11 VAL 540 1.387 -10.979 -7.045 710 2HG1 VAL 540 HG12 VAL 540 3.093 -11.420 -7.140 711 3HG1 VAL 540 HG13 VAL 540 2.621 -9.721 -7.094 712 1HG2 VAL 540 HG21 VAL 540 1.271 -8.947 -5.382 713 2HG2 VAL 540 HG22 VAL 540 2.734 -8.752 -4.416 714 3HG2 VAL 540 HG23 VAL 540 1.352 -9.617 -3.756 715 H SER 541 HN SER 541 -0.085 -10.699 -3.441 716 HA SER 541 HA SER 541 -2.347 -11.759 -4.861 717 1HB SER 541 HB2 SER 541 -3.653 -10.605 -3.213 718 2HB SER 541 HB1 SER 541 -2.242 -11.218 -2.338 719 HG SER 541 HG SER 541 -1.307 -9.123 -2.609 720 H GLU 542 HN GLU 542 -1.525 -11.034 -6.870 721 HA GLU 542 HA GLU 542 -0.739 -8.583 -7.676 722 1HB GLU 542 HB2 GLU 542 -0.720 -10.663 -8.963 723 2HB GLU 542 HB1 GLU 542 -2.443 -10.480 -9.259 724 1HG GLU 542 HG2 GLU 542 -1.767 -8.170 -10.240 725 2HG GLU 542 HG1 GLU 542 -0.161 -8.891 -10.344 726 H GLN 543 HN GLN 543 -4.204 -9.614 -7.853 727 HA GLN 543 HA GLN 543 -5.176 -7.245 -8.935 728 1HB GLN 543 HB2 GLN 543 -6.303 -9.434 -7.314 729 2HB GLN 543 HB1 GLN 543 -7.167 -7.910 -7.167 730 1HG GLN 543 HG2 GLN 543 -7.578 -7.835 -9.517 731 2HG GLN 543 HG1 GLN 543 -6.527 -9.223 -9.796 732 1HE2 GLN 543 HE21 GLN 543 -7.213 -11.146 -8.283 733 2HE2 GLN 543 HE22 GLN 543 -8.893 -11.541 -8.361 734 H GLU 544 HN GLU 544 -4.655 -8.138 -5.584 735 HA GLU 544 HA GLU 544 -5.342 -5.626 -4.458 736 1HB GLU 544 HB2 GLU 544 -5.443 -7.534 -3.037 737 2HB GLU 544 HB1 GLU 544 -3.805 -8.012 -3.443 738 1HG GLU 544 HG2 GLU 544 -3.713 -7.141 -1.265 739 2HG GLU 544 HG1 GLU 544 -3.032 -5.897 -2.311 740 H LEU 545 HN LEU 545 -2.431 -7.080 -5.729 741 HA LEU 545 HA LEU 545 -0.492 -5.452 -4.684 742 1HB LEU 545 HB2 LEU 545 -0.171 -7.485 -6.095 743 2HB LEU 545 HB1 LEU 545 -0.525 -6.499 -7.499 744 HG LEU 545 HG LEU 545 1.441 -5.060 -6.885 745 1HD1 LEU 545 HD11 LEU 545 2.498 -5.345 -4.961 746 2HD1 LEU 545 HD12 LEU 545 2.854 -7.021 -5.374 747 3HD1 LEU 545 HD13 LEU 545 1.357 -6.619 -4.533 748 1HD2 LEU 545 HD21 LEU 545 2.141 -6.330 -8.593 749 2HD2 LEU 545 HD22 LEU 545 1.460 -7.804 -7.905 750 3HD2 LEU 545 HD23 LEU 545 3.032 -7.220 -7.359 751 H GLU 546 HN GLU 546 -2.271 -4.917 -7.732 752 HA GLU 546 HA GLU 546 -1.014 -2.398 -8.202 753 1HB GLU 546 HB2 GLU 546 -3.629 -3.297 -9.393 754 2HB GLU 546 HB1 GLU 546 -2.440 -2.201 -10.084 755 1HG GLU 546 HG2 GLU 546 -0.855 -4.128 -10.200 756 2HG GLU 546 HG1 GLU 546 -2.191 -5.174 -9.720 757 H ASP 547 HN ASP 547 -3.955 -3.445 -6.640 758 HA ASP 547 HA ASP 547 -5.141 -0.849 -6.471 759 1HB ASP 547 HB2 ASP 547 -6.132 -3.320 -6.179 760 2HB ASP 547 HB1 ASP 547 -5.890 -2.919 -4.482 761 H TYR 548 HN TYR 548 -3.623 -2.900 -3.994 762 HA TYR 548 HA TYR 548 -3.742 -0.917 -2.010 763 1HB TYR 548 HB2 TYR 548 -2.595 -2.362 -0.602 764 2HB TYR 548 HB1 TYR 548 -3.435 -3.444 -1.700 765 HD1 TYR 548 HD1 TYR 548 -0.996 -3.963 0.086 766 HD2 TYR 548 HD2 TYR 548 -1.393 -3.011 -4.014 767 HE1 TYR 548 HE1 TYR 548 1.110 -5.113 -0.376 768 HE2 TYR 548 HE2 TYR 548 0.717 -4.140 -4.498 769 HH TYR 548 HH TYR 548 2.097 -6.298 -2.665 770 H ILE 549 HN ILE 549 -1.539 -1.431 -4.636 771 HA ILE 549 HA ILE 549 0.628 0.085 -3.578 772 HB ILE 549 HB ILE 549 -0.196 -0.700 -6.356 773 1HG1 ILE 549 HG12 ILE 549 2.413 -1.055 -4.882 774 2HG1 ILE 549 HG11 ILE 549 1.087 -2.210 -4.801 775 1HG2 ILE 549 HG21 ILE 549 1.871 0.467 -7.188 776 2HG2 ILE 549 HG22 ILE 549 1.922 1.326 -5.648 777 3HG2 ILE 549 HG23 ILE 549 0.544 1.535 -6.730 778 1HD1 ILE 549 HD11 ILE 549 2.192 -3.174 -6.491 779 2HD1 ILE 549 HD12 ILE 549 3.010 -1.676 -6.942 780 3HD1 ILE 549 HD13 ILE 549 1.346 -1.969 -7.459 781 H ARG 550 HN ARG 550 -2.233 0.823 -5.550 782 HA ARG 550 HA ARG 550 -1.797 3.544 -5.962 783 1HB ARG 550 HB2 ARG 550 -3.672 2.411 -7.019 784 2HB ARG 550 HB1 ARG 550 -4.393 2.068 -5.452 785 1HG ARG 550 HG2 ARG 550 -4.065 4.839 -5.510 786 2HG ARG 550 HG1 ARG 550 -4.646 4.403 -7.115 787 1HD ARG 550 HD2 ARG 550 -6.688 4.407 -6.213 788 2HD ARG 550 HD1 ARG 550 -6.227 2.884 -5.452 789 HE ARG 550 HE ARG 550 -5.335 4.964 -3.821 790 1HH1 ARG 550 HH11 ARG 550 -8.354 3.605 -4.929 791 2HH1 ARG 550 HH12 ARG 550 -9.232 4.084 -3.516 792 1HH2 ARG 550 HH21 ARG 550 -6.489 5.594 -1.961 793 2HH2 ARG 550 HH22 ARG 550 -8.174 5.213 -1.831 794 H HIS 551 HN HIS 551 -2.975 1.774 -3.179 795 HA HIS 551 HA HIS 551 -3.712 4.043 -1.625 796 1HB HIS 551 HB2 HIS 551 -2.901 1.305 -0.631 797 2HB HIS 551 HB1 HIS 551 -3.858 2.502 0.234 798 HD1 HIS 551 HD1 HIS 551 -5.300 2.833 -2.869 799 HD2 HIS 551 HD2 HIS 551 -5.336 -0.271 -0.107 800 HE1 HIS 551 HE1 HIS 551 -7.337 1.466 -3.421 801 HE2 HIS 551 HE2 HIS 551 -7.291 -0.454 -1.791 802 H VAL 552 HN VAL 552 -0.725 2.238 -2.082 803 HA VAL 552 HA VAL 552 0.667 3.464 0.096 804 HB VAL 552 HB VAL 552 1.854 2.075 -2.307 805 1HG1 VAL 552 HG11 VAL 552 3.441 3.391 -0.981 806 2HG1 VAL 552 HG12 VAL 552 3.755 1.661 -0.844 807 3HG1 VAL 552 HG13 VAL 552 2.947 2.518 0.469 808 1HG2 VAL 552 HG21 VAL 552 0.092 0.942 -0.547 809 2HG2 VAL 552 HG22 VAL 552 1.649 0.566 0.189 810 3HG2 VAL 552 HG23 VAL 552 1.315 0.069 -1.469 811 H LEU 553 HN LEU 553 0.178 4.211 -3.280 812 HA LEU 553 HA LEU 553 2.288 5.885 -3.841 813 1HB LEU 553 HB2 LEU 553 0.648 5.269 -5.509 814 2HB LEU 553 HB1 LEU 553 -0.601 6.163 -4.663 815 HG LEU 553 HG LEU 553 0.867 8.237 -5.080 816 1HD1 LEU 553 HD11 LEU 553 2.252 8.050 -7.132 817 2HD1 LEU 553 HD12 LEU 553 2.066 6.297 -7.048 818 3HD1 LEU 553 HD13 LEU 553 2.899 7.159 -5.754 819 1HD2 LEU 553 HD21 LEU 553 -0.565 8.733 -6.726 820 2HD2 LEU 553 HD22 LEU 553 -1.238 7.131 -6.427 821 3HD2 LEU 553 HD23 LEU 553 -0.054 7.364 -7.712 822 H ASN 554 HN ASN 554 -0.862 6.915 -2.491 823 HA ASN 554 HA ASN 554 0.209 8.666 -0.601 824 1HB ASN 554 HB2 ASN 554 0.674 9.735 -3.043 825 2HB ASN 554 HB1 ASN 554 -0.919 10.408 -2.711 826 1HD2 ASN 554 HD21 ASN 554 2.240 9.936 -1.179 827 2HD2 ASN 554 HD22 ASN 554 2.255 11.450 -0.347 828 H ARG 555 HN ARG 555 -2.421 9.117 -2.966 829 HA ARG 555 HA ARG 555 -4.444 8.254 -1.157 830 1HB ARG 555 HB2 ARG 555 -3.657 11.058 -1.114 831 2HB ARG 555 HB1 ARG 555 -5.360 10.854 -1.503 832 1HG ARG 555 HG2 ARG 555 -5.637 9.489 0.526 833 2HG ARG 555 HG1 ARG 555 -3.943 9.780 0.926 834 1HD ARG 555 HD2 ARG 555 -4.628 12.293 0.667 835 2HD ARG 555 HD1 ARG 555 -6.254 11.669 0.946 836 HE ARG 555 HE ARG 555 -4.152 11.938 2.874 837 1HH1 ARG 555 HH11 ARG 555 -7.034 10.153 2.050 838 2HH1 ARG 555 HH12 ARG 555 -7.375 9.703 3.687 839 1HH2 ARG 555 HH21 ARG 555 -4.598 11.348 5.029 840 2HH2 ARG 555 HH22 ARG 555 -5.992 10.383 5.379 841 HA PRO 556 HA PRO 556 -6.483 10.387 -5.178 842 1HB PRO 556 HB2 PRO 556 -3.884 10.373 -6.665 843 2HB PRO 556 HB1 PRO 556 -5.276 11.449 -6.847 844 1HG PRO 556 HG2 PRO 556 -3.103 12.252 -5.535 845 2HG PRO 556 HG1 PRO 556 -4.724 12.700 -4.976 846 1HD PRO 556 HD2 PRO 556 -2.806 10.740 -3.842 847 2HD PRO 556 HD1 PRO 556 -4.055 11.701 -3.029 848 H LYS 557 HN LYS 557 -7.147 9.172 -7.019 849 HA LYS 557 HA LYS 557 -6.318 6.381 -6.882 850 1HB LYS 557 HB2 LYS 557 -8.578 7.588 -8.481 851 2HB LYS 557 HB1 LYS 557 -8.328 5.887 -8.118 852 1HG LYS 557 HG2 LYS 557 -8.674 6.367 -5.731 853 2HG LYS 557 HG1 LYS 557 -8.988 8.056 -6.137 854 1HD LYS 557 HD2 LYS 557 -10.868 7.308 -7.574 855 2HD LYS 557 HD1 LYS 557 -10.585 5.655 -7.023 856 1HE LYS 557 HE2 LYS 557 -11.193 7.964 -5.185 857 2HE LYS 557 HE1 LYS 557 -12.416 6.862 -5.818 858 1HZ LYS 557 HZ1 LYS 557 -10.124 5.618 -4.536 859 2HZ LYS 557 HZ2 LYS 557 -11.765 5.215 -4.452 860 3HZ LYS 557 HZ3 LYS 557 -11.158 6.483 -3.513 861 H TRP 558 HN TRP 558 -4.256 7.602 -7.924 862 HA TRP 558 HA TRP 558 -4.393 7.936 -10.771 863 1HB TRP 558 HB2 TRP 558 -2.641 8.754 -8.822 864 2HB TRP 558 HB1 TRP 558 -1.737 7.460 -9.601 865 HD1 TRP 558 HD1 TRP 558 -2.213 11.040 -9.847 866 HE1 TRP 558 HE1 TRP 558 -1.514 11.938 -12.156 867 HE3 TRP 558 HE3 TRP 558 -1.983 6.618 -12.401 868 HZ2 TRP 558 HZ2 TRP 558 -0.940 10.906 -14.720 869 HZ3 TRP 558 HZ3 TRP 558 -1.350 6.660 -14.777 870 HH2 TRP 558 HH2 TRP 558 -0.839 8.760 -15.912 871 H LEU 559 HN LEU 559 -2.820 5.545 -8.648 872 HA LEU 559 HA LEU 559 -2.058 3.818 -10.752 873 1HB LEU 559 HB2 LEU 559 -2.280 3.546 -7.784 874 2HB LEU 559 HB1 LEU 559 -1.983 2.123 -8.763 875 HG LEU 559 HG LEU 559 0.086 3.105 -7.837 876 1HD1 LEU 559 HD11 LEU 559 1.285 2.529 -9.655 877 2HD1 LEU 559 HD12 LEU 559 0.395 3.616 -10.722 878 3HD1 LEU 559 HD13 LEU 559 -0.292 2.052 -10.285 879 1HD2 LEU 559 HD21 LEU 559 0.906 5.231 -8.795 880 2HD2 LEU 559 HD22 LEU 559 -0.536 5.436 -7.801 881 3HD2 LEU 559 HD23 LEU 559 -0.666 5.464 -9.560 882 H MET 560 HN MET 560 -4.982 4.175 -8.884 883 HA MET 560 HA MET 560 -6.166 1.680 -9.430 884 1HB MET 560 HB2 MET 560 -7.041 3.268 -7.749 885 2HB MET 560 HB1 MET 560 -7.514 4.362 -9.041 886 1HG MET 560 HG2 MET 560 -9.485 3.282 -8.493 887 2HG MET 560 HG1 MET 560 -8.920 2.408 -9.915 888 1HE MET 560 HE1 MET 560 -7.497 -0.649 -8.975 889 2HE MET 560 HE2 MET 560 -8.240 0.415 -10.169 890 3HE MET 560 HE3 MET 560 -9.216 -0.797 -9.341 891 H LEU 561 HN LEU 561 -6.036 4.714 -11.175 892 HA LEU 561 HA LEU 561 -7.775 3.934 -13.287 893 1HB LEU 561 HB2 LEU 561 -7.359 6.295 -12.861 894 2HB LEU 561 HB1 LEU 561 -5.647 6.080 -13.174 895 HG LEU 561 HG LEU 561 -7.515 5.339 -15.361 896 1HD1 LEU 561 HD11 LEU 561 -8.057 7.689 -14.172 897 2HD1 LEU 561 HD12 LEU 561 -8.237 7.403 -15.902 898 3HD1 LEU 561 HD13 LEU 561 -6.784 8.191 -15.284 899 1HD2 LEU 561 HD21 LEU 561 -5.135 7.047 -15.742 900 2HD2 LEU 561 HD22 LEU 561 -5.713 5.673 -16.684 901 3HD2 LEU 561 HD23 LEU 561 -4.848 5.403 -15.171 902 H LYS 562 HN LYS 562 -4.373 3.612 -12.586 903 HA LYS 562 HA LYS 562 -3.527 2.810 -15.177 904 1HB LYS 562 HB2 LYS 562 -1.969 3.565 -13.395 905 2HB LYS 562 HB1 LYS 562 -2.334 2.105 -12.485 906 1HG LYS 562 HG2 LYS 562 -1.370 1.782 -15.269 907 2HG LYS 562 HG1 LYS 562 -0.209 2.303 -14.046 908 1HD LYS 562 HD2 LYS 562 -0.369 0.334 -12.863 909 2HD LYS 562 HD1 LYS 562 -1.992 -0.014 -13.458 910 1HE LYS 562 HE2 LYS 562 0.464 -0.079 -15.198 911 2HE LYS 562 HE1 LYS 562 -0.164 -1.495 -14.356 912 1HZ LYS 562 HZ1 LYS 562 -0.937 -1.357 -16.658 913 2HZ LYS 562 HZ2 LYS 562 -1.684 0.124 -16.329 914 3HZ LYS 562 HZ3 LYS 562 -2.225 -1.282 -15.563 915 H VAL 563 HN VAL 563 -4.606 1.112 -12.282 916 HA VAL 563 HA VAL 563 -4.329 -1.538 -13.178 917 HB VAL 563 HB VAL 563 -6.396 -0.359 -11.295 918 1HG1 VAL 563 HG11 VAL 563 -7.247 -2.452 -11.564 919 2HG1 VAL 563 HG12 VAL 563 -6.028 -2.828 -10.345 920 3HG1 VAL 563 HG13 VAL 563 -5.700 -3.143 -12.050 921 1HG2 VAL 563 HG21 VAL 563 -4.600 0.133 -10.053 922 2HG2 VAL 563 HG22 VAL 563 -3.537 -0.912 -10.994 923 3HG2 VAL 563 HG23 VAL 563 -4.543 -1.597 -9.715 924 H LYS 564 HN LYS 564 -7.108 0.648 -13.148 925 HA LYS 564 HA LYS 564 -8.895 -0.980 -14.575 926 1HB LYS 564 HB2 LYS 564 -8.738 2.040 -14.388 927 2HB LYS 564 HB1 LYS 564 -10.116 1.146 -15.011 928 1HG LYS 564 HG2 LYS 564 -9.342 0.218 -12.383 929 2HG LYS 564 HG1 LYS 564 -9.698 1.946 -12.393 930 1HD LYS 564 HD2 LYS 564 -11.882 1.574 -13.260 931 2HD LYS 564 HD1 LYS 564 -11.527 -0.120 -13.602 932 1HE LYS 564 HE2 LYS 564 -11.396 -0.619 -11.251 933 2HE LYS 564 HE1 LYS 564 -11.562 1.088 -10.839 934 1HZ LYS 564 HZ1 LYS 564 -13.603 -0.572 -10.830 935 2HZ LYS 564 HZ2 LYS 564 -13.681 -0.103 -12.453 936 3HZ LYS 564 HZ3 LYS 564 -13.778 1.063 -11.232 937 H GLU 565 HN GLU 565 -6.415 1.299 -15.521 938 HA GLU 565 HA GLU 565 -6.955 1.548 -18.252 939 1HB GLU 565 HB2 GLU 565 -4.788 2.165 -16.465 940 2HB GLU 565 HB1 GLU 565 -4.150 1.451 -17.939 941 1HG GLU 565 HG2 GLU 565 -5.473 3.131 -19.229 942 2HG GLU 565 HG1 GLU 565 -5.880 3.901 -17.696 943 H GLN 566 HN GLN 566 -5.216 -0.886 -16.413 944 HA GLN 566 HA GLN 566 -4.109 -2.226 -18.600 945 1HB GLN 566 HB2 GLN 566 -4.078 -2.527 -15.820 946 2HB GLN 566 HB1 GLN 566 -4.742 -4.036 -16.429 947 1HG GLN 566 HG2 GLN 566 -2.609 -3.549 -18.105 948 2HG GLN 566 HG1 GLN 566 -2.029 -3.021 -16.526 949 1HE2 GLN 566 HE21 GLN 566 -0.806 -4.580 -15.736 950 2HE2 GLN 566 HE22 GLN 566 -1.209 -6.260 -15.687 951 H GLU 567 HN GLU 567 -7.185 -2.679 -16.875 952 HA GLU 567 HA GLU 567 -7.991 -4.886 -18.520 953 1HB GLU 567 HB2 GLU 567 -9.683 -3.099 -16.754 954 2HB GLU 567 HB1 GLU 567 -10.150 -4.663 -17.407 955 1HG GLU 567 HG2 GLU 567 -8.126 -5.574 -16.113 956 2HG GLU 567 HG1 GLU 567 -8.181 -4.041 -15.243 957 H LYS 568 HN LYS 568 -8.248 -1.451 -18.433 958 HA LYS 568 HA LYS 568 -10.254 -1.161 -20.355 959 1HB LYS 568 HB2 LYS 568 -8.484 0.581 -18.840 960 2HB LYS 568 HB1 LYS 568 -8.846 1.197 -20.442 961 1HG LYS 568 HG2 LYS 568 -10.770 1.968 -19.646 962 2HG LYS 568 HG1 LYS 568 -11.289 0.301 -19.414 963 1HD LYS 568 HD2 LYS 568 -9.529 1.384 -17.320 964 2HD LYS 568 HD1 LYS 568 -11.127 2.116 -17.427 965 1HE LYS 568 HE2 LYS 568 -11.340 -0.739 -17.658 966 2HE LYS 568 HE1 LYS 568 -10.430 -0.323 -16.210 967 1HZ LYS 568 HZ1 LYS 568 -13.218 0.248 -16.879 968 2HZ LYS 568 HZ2 LYS 568 -12.392 1.375 -15.927 969 3HZ LYS 568 HZ3 LYS 568 -12.537 -0.226 -15.404 970 H THR 569 HN THR 569 -6.774 -1.428 -20.559 971 HA THR 569 HA THR 569 -6.661 -0.632 -23.304 972 HB THR 569 HB THR 569 -4.758 -0.413 -21.731 973 HG1 THR 569 HG1 THR 569 -4.282 -0.346 -23.897 974 1HG2 THR 569 HG21 THR 569 -4.712 -3.397 -21.908 975 2HG2 THR 569 HG22 THR 569 -4.657 -2.370 -20.477 976 3HG2 THR 569 HG23 THR 569 -3.266 -2.456 -21.553 977 H GLU 570 HN GLU 570 -6.800 -3.690 -21.548 978 HA GLU 570 HA GLU 570 -6.342 -5.448 -23.670 979 1HB GLU 570 HB2 GLU 570 -7.634 -5.594 -21.025 980 2HB GLU 570 HB1 GLU 570 -8.243 -6.761 -22.191 981 1HG GLU 570 HG2 GLU 570 -5.469 -6.868 -22.437 982 2HG GLU 570 HG1 GLU 570 -5.779 -6.761 -20.705 983 H ALA 571 HN ALA 571 -9.276 -3.861 -22.538 984 HA ALA 571 HA ALA 571 -10.890 -4.961 -24.651 985 1HB ALA 571 HB1 ALA 571 -11.398 -3.588 -22.198 986 2HB ALA 571 HB2 ALA 571 -12.517 -4.474 -23.229 987 3HB ALA 571 HB3 ALA 571 -12.231 -2.759 -23.516 988 H GLU 572 HN GLU 572 -8.985 -2.056 -24.102 989 HA GLU 572 HA GLU 572 -10.153 -0.371 -25.993 990 1HB GLU 572 HB2 GLU 572 -8.150 0.025 -24.368 991 2HB GLU 572 HB1 GLU 572 -7.168 -0.538 -25.712 992 1HG GLU 572 HG2 GLU 572 -9.106 1.757 -25.876 993 2HG GLU 572 HG1 GLU 572 -7.381 1.928 -25.555 994 H ARG 573 HN ARG 573 -7.656 -2.846 -26.416 995 HA ARG 573 HA ARG 573 -7.476 -2.471 -29.244 996 1HB ARG 573 HB2 ARG 573 -6.010 -4.452 -29.184 997 2HB ARG 573 HB1 ARG 573 -5.541 -3.223 -28.018 998 1HG ARG 573 HG2 ARG 573 -6.551 -4.493 -26.223 999 2HG ARG 573 HG1 ARG 573 -7.126 -5.701 -27.374 1000 1HD ARG 573 HD2 ARG 573 -4.231 -5.102 -27.411 1001 2HD ARG 573 HD1 ARG 573 -4.842 -5.956 -25.995 1002 HE ARG 573 HE ARG 573 -5.898 -7.370 -28.026 1003 1HH1 ARG 573 HH11 ARG 573 -2.647 -6.283 -27.367 1004 2HH1 ARG 573 HH12 ARG 573 -1.904 -7.618 -28.180 1005 1HH2 ARG 573 HH21 ARG 573 -4.920 -9.127 -29.094 1006 2HH2 ARG 573 HH22 ARG 573 -3.192 -9.232 -29.160 1007 H ARG 574 HN ARG 574 -8.979 -4.995 -27.191 1008 HA ARG 574 HA ARG 574 -10.102 -6.184 -29.627 1009 1HB ARG 574 HB2 ARG 574 -9.113 -7.244 -27.149 1010 2HB ARG 574 HB1 ARG 574 -10.764 -7.786 -27.411 1011 1HG ARG 574 HG2 ARG 574 -8.618 -8.021 -29.501 1012 2HG ARG 574 HG1 ARG 574 -8.950 -9.280 -28.308 1013 1HD ARG 574 HD2 ARG 574 -11.039 -8.152 -30.159 1014 2HD ARG 574 HD1 ARG 574 -10.072 -9.575 -30.542 1015 HE ARG 574 HE ARG 574 -11.121 -10.191 -28.135 1016 1HH1 ARG 574 HH11 ARG 574 -12.537 -9.050 -31.114 1017 2HH1 ARG 574 HH12 ARG 574 -14.050 -9.847 -30.846 1018 1HH2 ARG 574 HH21 ARG 574 -13.112 -11.241 -27.781 1019 2HH2 ARG 574 HH22 ARG 574 -14.378 -11.091 -28.954 1020 H LYS 575 HN LYS 575 -11.109 -4.545 -26.716 1021 HA LYS 575 HA LYS 575 -13.127 -3.577 -26.215 1022 1HB LYS 575 HB2 LYS 575 -14.377 -4.973 -28.574 1023 2HB LYS 575 HB1 LYS 575 -14.930 -3.522 -27.752 1024 1HG LYS 575 HG2 LYS 575 -13.500 -2.170 -28.872 1025 2HG LYS 575 HG1 LYS 575 -12.250 -3.407 -28.998 1026 1HD LYS 575 HD2 LYS 575 -14.230 -4.474 -30.534 1027 2HD LYS 575 HD1 LYS 575 -14.448 -2.748 -30.827 1028 1HE LYS 575 HE2 LYS 575 -11.739 -3.008 -31.006 1029 2HE LYS 575 HE1 LYS 575 -12.291 -4.549 -31.663 1030 1HZ LYS 575 HZ1 LYS 575 -13.860 -3.090 -33.052 1031 2HZ LYS 575 HZ2 LYS 575 -12.233 -3.172 -33.501 1032 3HZ LYS 575 HZ3 LYS 575 -12.810 -1.822 -32.659 1033 H ASP 576 HN ASP 576 -15.035 -4.183 -25.079 1034 HA ASP 576 HA ASP 576 -15.283 -7.096 -24.677 1035 1HB ASP 576 HB2 ASP 576 -14.782 -4.951 -22.741 1036 2HB ASP 576 HB1 ASP 576 -16.104 -6.021 -22.284 1037 H PHE 577 HN PHE 577 -17.176 -4.516 -23.176 1038 HA PHE 577 HA PHE 577 -19.629 -5.775 -23.663 1039 1HB PHE 577 HB2 PHE 577 -18.816 -3.686 -22.113 1040 2HB PHE 577 HB1 PHE 577 -19.726 -2.845 -23.362 1041 HD1 PHE 577 HD1 PHE 577 -22.112 -3.547 -23.790 1042 HD2 PHE 577 HD2 PHE 577 -19.905 -4.819 -20.381 1043 HE1 PHE 577 HE1 PHE 577 -24.214 -4.122 -22.649 1044 HE2 PHE 577 HE2 PHE 577 -22.003 -5.397 -19.234 1045 HZ PHE 577 HZ PHE 577 -24.162 -5.050 -20.368 1046 H LEU 578 HN LEU 578 -18.664 -2.628 -25.029 1047 HA LEU 578 HA LEU 578 -19.631 -3.474 -27.647 1048 1HB LEU 578 HB2 LEU 578 -20.747 -1.151 -26.087 1049 2HB LEU 578 HB1 LEU 578 -20.921 -1.295 -27.825 1050 HG LEU 578 HG LEU 578 -21.835 -3.551 -26.092 1051 1HD1 LEU 578 HD11 LEU 578 -24.044 -2.497 -25.906 1052 2HD1 LEU 578 HD12 LEU 578 -23.383 -1.011 -26.587 1053 3HD1 LEU 578 HD13 LEU 578 -22.805 -1.600 -25.028 1054 1HD2 LEU 578 HD21 LEU 578 -22.964 -4.217 -27.929 1055 2HD2 LEU 578 HD22 LEU 578 -21.766 -3.225 -28.763 1056 3HD2 LEU 578 HD23 LEU 578 -23.365 -2.568 -28.413 1057 H THR 579 HN THR 579 -17.419 -3.343 -28.215 1058 HA THR 579 HA THR 579 -15.619 -2.340 -29.174 1059 HB THR 579 HB THR 579 -16.714 0.388 -29.209 1060 HG1 THR 579 HG1 THR 579 -18.549 -0.027 -30.165 1061 1HG2 THR 579 HG21 THR 579 -15.895 0.484 -31.317 1062 2HG2 THR 579 HG22 THR 579 -16.273 -1.203 -31.664 1063 3HG2 THR 579 HG23 THR 579 -14.867 -0.799 -30.679 1064 H ALA 580 HN ALA 580 -14.214 -0.169 -28.910 1065 HA ALA 580 HA ALA 580 -13.176 -0.249 -26.299 1066 1HB ALA 580 HB1 ALA 580 -11.480 0.982 -27.125 1067 2HB ALA 580 HB2 ALA 580 -12.556 2.132 -27.918 1068 3HB ALA 580 HB3 ALA 580 -12.219 0.575 -28.673 1069 H ALA 581 HN ALA 581 -15.913 1.351 -27.436 1070 HA ALA 581 HA ALA 581 -15.926 3.819 -26.246 1071 1HB ALA 581 HB1 ALA 581 -17.813 3.514 -27.463 1072 2HB ALA 581 HB2 ALA 581 -18.478 3.174 -25.866 1073 3HB ALA 581 HB3 ALA 581 -18.022 1.845 -26.932 1074 H ARG 582 HN ARG 582 -16.320 0.676 -24.668 1075 HA ARG 582 HA ARG 582 -17.221 1.778 -22.190 1076 1HB ARG 582 HB2 ARG 582 -16.329 -0.893 -23.166 1077 2HB ARG 582 HB1 ARG 582 -16.311 -0.604 -21.431 1078 1HG ARG 582 HG2 ARG 582 -18.383 -1.668 -22.239 1079 2HG ARG 582 HG1 ARG 582 -18.657 -0.129 -21.425 1080 1HD ARG 582 HD2 ARG 582 -18.545 0.846 -23.841 1081 2HD ARG 582 HD1 ARG 582 -18.883 -0.812 -24.325 1082 HE ARG 582 HE ARG 582 -21.021 -0.608 -23.480 1083 1HH1 ARG 582 HH11 ARG 582 -19.122 2.188 -22.597 1084 2HH1 ARG 582 HH12 ARG 582 -20.492 3.103 -22.065 1085 1HH2 ARG 582 HH21 ARG 582 -22.820 0.595 -22.778 1086 2HH2 ARG 582 HH22 ARG 582 -22.590 2.201 -22.166 1087 H ILE 583 HN ILE 583 -14.147 1.038 -23.635 1088 HA ILE 583 HA ILE 583 -12.580 1.228 -21.273 1089 HB ILE 583 HB ILE 583 -11.846 1.474 -24.190 1090 1HG1 ILE 583 HG12 ILE 583 -12.673 -0.720 -23.628 1091 2HG1 ILE 583 HG11 ILE 583 -10.928 -0.812 -23.815 1092 1HG2 ILE 583 HG21 ILE 583 -9.525 1.152 -23.492 1093 2HG2 ILE 583 HG22 ILE 583 -10.028 1.234 -21.806 1094 3HG2 ILE 583 HG23 ILE 583 -10.199 2.647 -22.843 1095 1HD1 ILE 583 HD11 ILE 583 -11.402 -0.289 -21.098 1096 2HD1 ILE 583 HD12 ILE 583 -10.807 -1.780 -21.825 1097 3HD1 ILE 583 HD13 ILE 583 -12.538 -1.546 -21.578 1098 H ALA 584 HN ALA 584 -13.121 3.489 -23.981 1099 HA ALA 584 HA ALA 584 -11.590 5.600 -22.995 1100 1HB ALA 584 HB1 ALA 584 -12.968 5.185 -25.269 1101 2HB ALA 584 HB2 ALA 584 -12.346 6.760 -24.777 1102 3HB ALA 584 HB3 ALA 584 -14.032 6.342 -24.470 1103 H LYS 585 HN LYS 585 -15.066 4.963 -22.600 1104 HA LYS 585 HA LYS 585 -15.666 7.241 -21.088 1105 1HB LYS 585 HB2 LYS 585 -16.965 4.687 -21.711 1106 2HB LYS 585 HB1 LYS 585 -17.436 5.357 -20.156 1107 1HG LYS 585 HG2 LYS 585 -17.616 7.550 -21.739 1108 2HG LYS 585 HG1 LYS 585 -18.053 6.269 -22.872 1109 1HD LYS 585 HD2 LYS 585 -20.065 7.035 -21.841 1110 2HD LYS 585 HD1 LYS 585 -19.697 5.445 -21.170 1111 1HE LYS 585 HE2 LYS 585 -18.593 7.776 -19.725 1112 2HE LYS 585 HE1 LYS 585 -20.344 7.575 -19.666 1113 1HZ LYS 585 HZ1 LYS 585 -19.923 6.183 -17.994 1114 2HZ LYS 585 HZ2 LYS 585 -18.282 6.040 -18.382 1115 3HZ LYS 585 HZ3 LYS 585 -19.423 5.077 -19.174 1116 H GLU 586 HN GLU 586 -14.416 4.088 -20.134 1117 HA GLU 586 HA GLU 586 -14.780 4.409 -17.355 1118 1HB GLU 586 HB2 GLU 586 -12.971 2.668 -19.003 1119 2HB GLU 586 HB1 GLU 586 -12.899 2.664 -17.246 1120 1HG GLU 586 HG2 GLU 586 -15.489 2.232 -18.676 1121 2HG GLU 586 HG1 GLU 586 -14.350 0.908 -18.428 1122 H MET 587 HN MET 587 -11.908 4.996 -19.408 1123 HA MET 587 HA MET 587 -10.161 5.808 -17.387 1124 1HB MET 587 HB2 MET 587 -10.042 5.657 -20.143 1125 2HB MET 587 HB1 MET 587 -9.928 7.387 -19.855 1126 1HG MET 587 HG2 MET 587 -7.759 7.058 -19.546 1127 2HG MET 587 HG1 MET 587 -8.194 6.329 -18.002 1128 1HE MET 587 HE1 MET 587 -9.782 4.111 -18.785 1129 2HE MET 587 HE2 MET 587 -8.647 2.762 -18.669 1130 3HE MET 587 HE3 MET 587 -9.362 3.177 -20.226 1131 H ILE 588 HN ILE 588 -12.237 7.872 -19.440 1132 HA ILE 588 HA ILE 588 -11.693 10.290 -18.190 1133 HB ILE 588 HB ILE 588 -13.858 9.229 -19.886 1134 1HG1 ILE 588 HG12 ILE 588 -13.524 11.616 -20.842 1135 2HG1 ILE 588 HG11 ILE 588 -12.142 11.690 -19.753 1136 1HG2 ILE 588 HG21 ILE 588 -15.321 11.206 -19.506 1137 2HG2 ILE 588 HG22 ILE 588 -14.376 11.565 -18.061 1138 3HG2 ILE 588 HG23 ILE 588 -15.289 10.060 -18.167 1139 1HD1 ILE 588 HD11 ILE 588 -11.417 11.031 -21.945 1140 2HD1 ILE 588 HD12 ILE 588 -12.579 9.704 -21.969 1141 3HD1 ILE 588 HD13 ILE 588 -11.228 9.673 -20.836 1142 H GLU 589 HN GLU 589 -13.699 7.602 -17.263 1143 HA GLU 589 HA GLU 589 -15.056 8.952 -15.123 1144 1HB GLU 589 HB2 GLU 589 -14.855 6.154 -16.110 1145 2HB GLU 589 HB1 GLU 589 -15.286 6.370 -14.420 1146 1HG GLU 589 HG2 GLU 589 -17.066 7.997 -15.301 1147 2HG GLU 589 HG1 GLU 589 -16.765 7.245 -16.867 1148 H MET 590 HN MET 590 -12.176 7.038 -15.535 1149 HA MET 590 HA MET 590 -11.518 6.751 -12.792 1150 1HB MET 590 HB2 MET 590 -9.886 6.546 -15.324 1151 2HB MET 590 HB1 MET 590 -9.222 6.219 -13.730 1152 1HG MET 590 HG2 MET 590 -11.440 4.733 -15.113 1153 2HG MET 590 HG1 MET 590 -9.811 4.153 -14.781 1154 1HE MET 590 HE1 MET 590 -13.370 3.912 -13.721 1155 2HE MET 590 HE2 MET 590 -13.072 5.533 -13.095 1156 3HE MET 590 HE3 MET 590 -13.396 4.203 -11.982 1157 H LYS 591 HN LYS 591 -10.967 9.210 -15.204 1158 HA LYS 591 HA LYS 591 -8.954 10.627 -13.755 1159 1HB LYS 591 HB2 LYS 591 -9.274 10.811 -16.216 1160 2HB LYS 591 HB1 LYS 591 -10.796 11.643 -15.926 1161 1HG LYS 591 HG2 LYS 591 -8.795 12.974 -14.430 1162 2HG LYS 591 HG1 LYS 591 -8.173 12.720 -16.061 1163 1HD LYS 591 HD2 LYS 591 -10.915 13.841 -15.547 1164 2HD LYS 591 HD1 LYS 591 -9.482 14.867 -15.635 1165 1HE LYS 591 HE2 LYS 591 -9.447 13.109 -17.867 1166 2HE LYS 591 HE1 LYS 591 -11.056 13.825 -17.760 1167 1HZ LYS 591 HZ1 LYS 591 -10.030 16.016 -17.699 1168 2HZ LYS 591 HZ2 LYS 591 -9.583 15.181 -19.101 1169 3HZ LYS 591 HZ3 LYS 591 -8.490 15.322 -17.817 1170 H LYS 592 HN LYS 592 -12.453 10.731 -13.936 1171 HA LYS 592 HA LYS 592 -12.778 13.172 -12.516 1172 1HB LYS 592 HB2 LYS 592 -14.656 10.869 -13.039 1173 2HB LYS 592 HB1 LYS 592 -15.142 12.338 -12.203 1174 1HG LYS 592 HG2 LYS 592 -14.050 12.220 -15.008 1175 2HG LYS 592 HG1 LYS 592 -15.758 12.345 -14.580 1176 1HD LYS 592 HD2 LYS 592 -15.466 14.560 -14.674 1177 2HD LYS 592 HD1 LYS 592 -14.601 14.395 -13.146 1178 1HE LYS 592 HE2 LYS 592 -12.647 14.908 -14.092 1179 2HE LYS 592 HE1 LYS 592 -12.913 13.786 -15.426 1180 1HZ LYS 592 HZ1 LYS 592 -13.975 15.401 -16.678 1181 2HZ LYS 592 HZ2 LYS 592 -12.722 16.269 -15.944 1182 3HZ LYS 592 HZ3 LYS 592 -14.299 16.389 -15.344 1183 H MET 593 HN MET 593 -12.902 9.759 -11.538 1184 HA MET 593 HA MET 593 -13.585 10.226 -8.852 1185 1HB MET 593 HB2 MET 593 -12.531 7.911 -8.505 1186 2HB MET 593 HB1 MET 593 -13.921 8.036 -9.573 1187 1HG MET 593 HG2 MET 593 -12.768 7.357 -11.350 1188 2HG MET 593 HG1 MET 593 -11.376 8.352 -10.941 1189 1HE MET 593 HE1 MET 593 -9.267 7.359 -10.727 1190 2HE MET 593 HE2 MET 593 -9.811 6.207 -11.944 1191 3HE MET 593 HE3 MET 593 -8.936 5.639 -10.524 1192 H LEU 594 HN LEU 594 -10.430 9.987 -10.445 1193 HA LEU 594 HA LEU 594 -9.003 10.208 -7.954 1194 1HB LEU 594 HB2 LEU 594 -6.993 10.384 -9.367 1195 2HB LEU 594 HB1 LEU 594 -7.972 8.981 -9.745 1196 HG LEU 594 HG LEU 594 -8.968 10.577 -11.596 1197 1HD1 LEU 594 HD11 LEU 594 -7.821 12.418 -12.138 1198 2HD1 LEU 594 HD12 LEU 594 -6.262 11.630 -11.895 1199 3HD1 LEU 594 HD13 LEU 594 -7.136 12.298 -10.517 1200 1HD2 LEU 594 HD21 LEU 594 -6.292 9.690 -12.391 1201 2HD2 LEU 594 HD22 LEU 594 -7.874 9.235 -13.021 1202 3HD2 LEU 594 HD23 LEU 594 -7.249 8.462 -11.566 1203 H SER 595 HN SER 595 -10.234 12.395 -10.349 1204 HA SER 595 HA SER 595 -8.983 14.630 -8.892 1205 1HB SER 595 HB2 SER 595 -8.932 14.011 -11.706 1206 2HB SER 595 HB1 SER 595 -9.732 15.561 -11.448 1207 HG SER 595 HG SER 595 -7.920 16.372 -10.580 1208 H SER 596 HN SER 596 -10.478 15.562 -7.664 1209 HA SER 596 HA SER 596 -13.267 15.590 -8.526 1210 1HB SER 596 HB2 SER 596 -12.487 14.946 -6.160 1211 2HB SER 596 HB1 SER 596 -12.222 16.671 -5.914 1212 HG SER 596 HG SER 596 -14.271 16.793 -5.526 1213 H SER 597 HN SER 597 -10.866 17.915 -7.283 1214 HA SER 597 HA SER 597 -12.013 19.954 -9.037 1215 1HB SER 597 HB2 SER 597 -11.610 21.525 -6.914 1216 2HB SER 597 HB1 SER 597 -13.148 20.710 -7.192 1217 HG SER 597 HG SER 597 -12.616 19.189 -5.694 Start of MODEL 4 1 1H MET 452 HT1 MET 452 -14.764 -6.612 19.373 2 2H MET 452 HT2 MET 452 -13.915 -7.300 18.049 3 3H MET 452 HT3 MET 452 -15.611 -7.053 17.951 4 HA MET 452 HA MET 452 -14.428 -5.416 16.704 5 1HB MET 452 HB2 MET 452 -15.718 -4.384 19.240 6 2HB MET 452 HB1 MET 452 -15.500 -3.461 17.760 7 1HG MET 452 HG2 MET 452 -17.582 -4.115 17.301 8 2HG MET 452 HG1 MET 452 -16.822 -5.632 16.825 9 1HE MET 452 HE1 MET 452 -19.585 -4.320 19.757 10 2HE MET 452 HE2 MET 452 -20.317 -5.617 18.812 11 3HE MET 452 HE3 MET 452 -19.506 -4.280 17.996 12 H ALA 453 HN ALA 453 -12.581 -4.341 16.439 13 HA ALA 453 HA ALA 453 -10.844 -3.962 18.777 14 1HB ALA 453 HB1 ALA 453 -9.602 -5.177 17.274 15 2HB ALA 453 HB2 ALA 453 -9.128 -3.533 16.846 16 3HB ALA 453 HB3 ALA 453 -10.325 -4.388 15.872 17 H LYS 454 HN LYS 454 -12.333 -2.278 16.076 18 HA LYS 454 HA LYS 454 -12.589 -0.070 15.590 19 1HB LYS 454 HB2 LYS 454 -12.164 0.143 18.573 20 2HB LYS 454 HB1 LYS 454 -12.656 1.492 17.559 21 1HG LYS 454 HG2 LYS 454 -14.708 0.380 16.983 22 2HG LYS 454 HG1 LYS 454 -14.200 -1.077 17.840 23 1HD LYS 454 HD2 LYS 454 -14.192 1.421 19.412 24 2HD LYS 454 HD1 LYS 454 -15.778 0.821 18.922 25 1HE LYS 454 HE2 LYS 454 -13.672 -0.678 20.475 26 2HE LYS 454 HE1 LYS 454 -15.210 -0.075 21.090 27 1HZ LYS 454 HZ1 LYS 454 -14.681 -2.373 19.344 28 2HZ LYS 454 HZ2 LYS 454 -16.162 -1.569 19.199 29 3HZ LYS 454 HZ3 LYS 454 -15.713 -2.252 20.679 30 H LYS 455 HN LYS 455 -10.036 -1.132 15.143 31 HA LYS 455 HA LYS 455 -7.902 0.333 16.176 32 1HB LYS 455 HB2 LYS 455 -8.307 -1.079 13.550 33 2HB LYS 455 HB1 LYS 455 -6.800 -0.256 13.928 34 1HG LYS 455 HG2 LYS 455 -7.849 -2.190 15.915 35 2HG LYS 455 HG1 LYS 455 -7.162 -2.826 14.420 36 1HD LYS 455 HD2 LYS 455 -5.709 -0.795 16.090 37 2HD LYS 455 HD1 LYS 455 -5.589 -2.525 16.419 38 1HE LYS 455 HE2 LYS 455 -4.828 -2.876 14.093 39 2HE LYS 455 HE1 LYS 455 -4.868 -1.131 13.843 40 1HZ LYS 455 HZ1 LYS 455 -2.690 -2.417 14.587 41 2HZ LYS 455 HZ2 LYS 455 -3.327 -2.097 16.120 42 3HZ LYS 455 HZ3 LYS 455 -3.004 -0.822 15.057 43 H LEU 456 HN LEU 456 -7.340 2.386 16.003 44 HA LEU 456 HA LEU 456 -7.809 3.860 13.551 45 1HB LEU 456 HB2 LEU 456 -9.583 4.089 15.753 46 2HB LEU 456 HB1 LEU 456 -8.648 5.570 15.688 47 HG LEU 456 HG LEU 456 -9.333 5.341 13.085 48 1HD1 LEU 456 HD11 LEU 456 -11.848 4.478 14.442 49 2HD1 LEU 456 HD12 LEU 456 -10.698 3.271 13.864 50 3HD1 LEU 456 HD13 LEU 456 -11.415 4.419 12.733 51 1HD2 LEU 456 HD21 LEU 456 -9.721 7.383 14.064 52 2HD2 LEU 456 HD22 LEU 456 -10.612 6.688 15.417 53 3HD2 LEU 456 HD23 LEU 456 -11.370 6.803 13.829 54 H LEU 457 HN LEU 457 -5.491 3.741 13.556 55 HA LEU 457 HA LEU 457 -4.300 5.984 14.926 56 1HB LEU 457 HB2 LEU 457 -3.679 3.163 15.639 57 2HB LEU 457 HB1 LEU 457 -2.348 4.302 15.580 58 HG LEU 457 HG LEU 457 -4.823 4.692 17.260 59 1HD1 LEU 457 HD11 LEU 457 -3.888 3.584 18.974 60 2HD1 LEU 457 HD12 LEU 457 -2.255 4.109 18.560 61 3HD1 LEU 457 HD13 LEU 457 -2.991 2.756 17.700 62 1HD2 LEU 457 HD21 LEU 457 -2.157 6.100 17.218 63 2HD2 LEU 457 HD22 LEU 457 -3.444 6.382 18.390 64 3HD2 LEU 457 HD23 LEU 457 -3.703 6.764 16.688 65 HA PRO 458 HA PRO 458 -0.950 3.983 11.866 66 1HB PRO 458 HB2 PRO 458 -2.366 2.217 10.171 67 2HB PRO 458 HB1 PRO 458 -1.149 1.783 11.372 68 1HG PRO 458 HG2 PRO 458 -4.122 1.766 11.593 69 2HG PRO 458 HG1 PRO 458 -2.933 0.663 12.313 70 1HD PRO 458 HD2 PRO 458 -4.138 2.500 13.802 71 2HD PRO 458 HD1 PRO 458 -2.408 2.162 14.025 72 H ALA 459 HN ALA 459 -0.616 4.698 9.714 73 HA ALA 459 HA ALA 459 -2.843 6.305 8.658 74 1HB ALA 459 HB1 ALA 459 -1.021 7.584 7.476 75 2HB ALA 459 HB2 ALA 459 0.136 6.664 8.436 76 3HB ALA 459 HB3 ALA 459 -1.030 7.718 9.234 77 H PHE 460 HN PHE 460 0.107 5.278 6.988 78 HA PHE 460 HA PHE 460 -1.597 3.868 5.043 79 1HB PHE 460 HB2 PHE 460 0.006 6.108 4.589 80 2HB PHE 460 HB1 PHE 460 0.931 4.763 3.931 81 HD1 PHE 460 HD1 PHE 460 -1.636 3.130 3.243 82 HD2 PHE 460 HD2 PHE 460 -0.370 7.111 2.434 83 HE1 PHE 460 HE1 PHE 460 -3.036 3.157 1.231 84 HE2 PHE 460 HE2 PHE 460 -1.772 7.147 0.411 85 HZ PHE 460 HZ PHE 460 -3.109 5.168 -0.192 86 H GLN 461 HN GLN 461 0.510 3.297 7.411 87 HA GLN 461 HA GLN 461 2.491 1.653 6.348 88 1HB GLN 461 HB2 GLN 461 2.412 2.475 8.690 89 2HB GLN 461 HB1 GLN 461 1.098 1.353 9.012 90 1HG GLN 461 HG2 GLN 461 3.105 -0.221 7.916 91 2HG GLN 461 HG1 GLN 461 3.948 0.903 8.980 92 1HE2 GLN 461 HE21 GLN 461 0.956 -1.015 9.006 93 2HE2 GLN 461 HE22 GLN 461 1.157 -1.621 10.611 94 H ASN 462 HN ASN 462 -0.903 1.134 6.552 95 HA ASN 462 HA ASN 462 -0.890 -1.691 6.754 96 1HB ASN 462 HB2 ASN 462 -2.862 -0.159 7.159 97 2HB ASN 462 HB1 ASN 462 -3.006 -0.006 5.409 98 1HD2 ASN 462 HD21 ASN 462 -4.339 -1.362 4.462 99 2HD2 ASN 462 HD22 ASN 462 -4.845 -2.894 5.078 100 H ALA 463 HN ALA 463 -1.151 0.477 3.904 101 HA ALA 463 HA ALA 463 -1.198 -1.698 2.061 102 1HB ALA 463 HB1 ALA 463 -0.290 0.385 0.555 103 2HB ALA 463 HB2 ALA 463 -1.144 1.224 1.852 104 3HB ALA 463 HB3 ALA 463 -1.987 0.025 0.869 105 H GLU 464 HN GLU 464 1.301 0.277 3.502 106 HA GLU 464 HA GLU 464 3.410 -0.611 1.823 107 1HB GLU 464 HB2 GLU 464 3.135 1.311 3.787 108 2HB GLU 464 HB1 GLU 464 4.197 0.131 4.542 109 1HG GLU 464 HG2 GLU 464 4.829 0.951 1.770 110 2HG GLU 464 HG1 GLU 464 5.099 2.132 3.052 111 H ARG 465 HN ARG 465 2.371 -1.576 5.091 112 HA ARG 465 HA ARG 465 4.285 -3.491 5.615 113 1HB ARG 465 HB2 ARG 465 1.529 -2.976 6.542 114 2HB ARG 465 HB1 ARG 465 2.129 -4.606 6.811 115 1HG ARG 465 HG2 ARG 465 4.214 -2.984 7.634 116 2HG ARG 465 HG1 ARG 465 2.765 -2.146 8.193 117 1HD ARG 465 HD2 ARG 465 2.063 -4.533 9.000 118 2HD ARG 465 HD1 ARG 465 3.795 -4.855 8.913 119 HE ARG 465 HE ARG 465 3.693 -2.578 10.345 120 1HH1 ARG 465 HH11 ARG 465 2.027 -5.629 10.654 121 2HH1 ARG 465 HH12 ARG 465 1.870 -5.511 12.374 122 1HH2 ARG 465 HH21 ARG 465 3.489 -2.422 12.608 123 2HH2 ARG 465 HH22 ARG 465 2.699 -3.690 13.484 124 H LEU 466 HN LEU 466 1.070 -4.113 4.131 125 HA LEU 466 HA LEU 466 1.606 -6.843 3.728 126 1HB LEU 466 HB2 LEU 466 -0.159 -5.824 1.680 127 2HB LEU 466 HB1 LEU 466 -0.448 -7.000 2.942 128 HG LEU 466 HG LEU 466 -0.678 -4.013 3.244 129 1HD1 LEU 466 HD11 LEU 466 -2.925 -5.973 3.437 130 2HD1 LEU 466 HD12 LEU 466 -2.419 -5.334 1.874 131 3HD1 LEU 466 HD13 LEU 466 -2.979 -4.237 3.135 132 1HD2 LEU 466 HD21 LEU 466 -1.718 -5.956 5.240 133 2HD2 LEU 466 HD22 LEU 466 -1.168 -4.298 5.465 134 3HD2 LEU 466 HD23 LEU 466 0.007 -5.593 5.244 135 H LEU 467 HN LEU 467 2.050 -4.058 1.538 136 HA LEU 467 HA LEU 467 2.790 -5.426 -0.748 137 1HB LEU 467 HB2 LEU 467 2.820 -2.793 -0.004 138 2HB LEU 467 HB1 LEU 467 4.535 -3.135 -0.137 139 HG LEU 467 HG LEU 467 2.761 -3.965 -2.378 140 1HD1 LEU 467 HD11 LEU 467 3.452 -1.154 -1.658 141 2HD1 LEU 467 HD12 LEU 467 1.928 -1.813 -2.241 142 3HD1 LEU 467 HD13 LEU 467 3.287 -1.632 -3.349 143 1HD2 LEU 467 HD21 LEU 467 4.923 -4.612 -2.791 144 2HD2 LEU 467 HD22 LEU 467 5.614 -3.202 -1.987 145 3HD2 LEU 467 HD23 LEU 467 4.877 -3.037 -3.583 146 H LEU 468 HN LEU 468 4.878 -4.415 1.947 147 HA LEU 468 HA LEU 468 7.286 -5.453 1.123 148 1HB LEU 468 HB2 LEU 468 6.151 -5.523 3.920 149 2HB LEU 468 HB1 LEU 468 7.844 -5.679 3.503 150 HG LEU 468 HG LEU 468 6.139 -3.224 3.120 151 1HD1 LEU 468 HD11 LEU 468 6.686 -2.746 5.210 152 2HD1 LEU 468 HD12 LEU 468 8.380 -2.715 4.724 153 3HD1 LEU 468 HD13 LEU 468 7.665 -4.207 5.334 154 1HD2 LEU 468 HD21 LEU 468 8.813 -3.981 2.115 155 2HD2 LEU 468 HD22 LEU 468 8.620 -2.342 2.735 156 3HD2 LEU 468 HD23 LEU 468 7.598 -2.912 1.416 157 H ALA 469 HN ALA 469 4.555 -7.093 2.665 158 HA ALA 469 HA ALA 469 5.686 -9.593 3.116 159 1HB ALA 469 HB1 ALA 469 3.426 -8.833 3.878 160 2HB ALA 469 HB2 ALA 469 3.440 -10.450 3.174 161 3HB ALA 469 HB3 ALA 469 2.842 -9.087 2.235 162 H HIS 470 HN HIS 470 4.113 -8.302 0.221 163 HA HIS 470 HA HIS 470 4.442 -10.721 -1.275 164 1HB HIS 470 HB2 HIS 470 3.837 -7.970 -2.348 165 2HB HIS 470 HB1 HIS 470 3.472 -9.517 -3.093 166 HD1 HIS 470 HD1 HIS 470 2.412 -7.377 -0.171 167 HD2 HIS 470 HD2 HIS 470 1.030 -10.572 -2.428 168 HE1 HIS 470 HE1 HIS 470 0.041 -7.750 0.576 169 HE2 HIS 470 HE2 HIS 470 -0.739 -9.757 -0.729 170 H MET 471 HN MET 471 5.833 -7.463 -1.664 171 HA MET 471 HA MET 471 7.631 -8.120 -3.678 172 1HB MET 471 HB2 MET 471 8.939 -6.072 -2.682 173 2HB MET 471 HB1 MET 471 7.411 -5.860 -3.517 174 1HG MET 471 HG2 MET 471 6.275 -5.340 -1.615 175 2HG MET 471 HG1 MET 471 7.364 -6.257 -0.577 176 1HE MET 471 HE1 MET 471 9.923 -5.590 -0.490 177 2HE MET 471 HE2 MET 471 10.497 -3.918 -0.511 178 3HE MET 471 HE3 MET 471 10.198 -4.769 -2.031 179 H MET 472 HN MET 472 7.963 -8.492 -0.213 180 HA MET 472 HA MET 472 10.777 -8.881 -0.195 181 1HB MET 472 HB2 MET 472 10.540 -9.615 2.038 182 2HB MET 472 HB1 MET 472 9.328 -8.368 1.808 183 1HG MET 472 HG2 MET 472 7.584 -9.990 1.663 184 2HG MET 472 HG1 MET 472 8.745 -11.311 1.607 185 1HE MET 472 HE1 MET 472 7.520 -8.632 4.977 186 2HE MET 472 HE2 MET 472 8.166 -8.140 3.415 187 3HE MET 472 HE3 MET 472 9.261 -8.423 4.769 188 H ARG 473 HN ARG 473 8.377 -10.765 -1.563 189 HA ARG 473 HA ARG 473 10.012 -13.198 -1.274 190 1HB ARG 473 HB2 ARG 473 7.209 -12.761 -0.886 191 2HB ARG 473 HB1 ARG 473 7.435 -13.899 -2.207 192 1HG ARG 473 HG2 ARG 473 9.139 -14.970 -0.471 193 2HG ARG 473 HG1 ARG 473 8.055 -14.179 0.673 194 1HD ARG 473 HD2 ARG 473 6.675 -15.907 0.465 195 2HD ARG 473 HD1 ARG 473 6.392 -15.419 -1.205 196 HE ARG 473 HE ARG 473 8.751 -17.026 -0.833 197 1HH1 ARG 473 HH11 ARG 473 5.310 -17.067 -1.416 198 2HH1 ARG 473 HH12 ARG 473 5.326 -18.638 -2.144 199 1HH2 ARG 473 HH21 ARG 473 8.774 -19.092 -1.790 200 2HH2 ARG 473 HH22 ARG 473 7.293 -19.789 -2.355 201 H SER 474 HN SER 474 7.458 -12.224 -3.562 202 HA SER 474 HA SER 474 8.878 -13.477 -5.726 203 1HB SER 474 HB2 SER 474 6.191 -12.489 -5.241 204 2HB SER 474 HB1 SER 474 6.768 -12.049 -6.848 205 HG SER 474 HG SER 474 6.996 -14.675 -5.825 206 H ARG 475 HN ARG 475 10.169 -12.601 -7.191 207 HA ARG 475 HA ARG 475 11.124 -9.961 -6.937 208 1HB ARG 475 HB2 ARG 475 12.555 -10.443 -8.756 209 2HB ARG 475 HB1 ARG 475 12.352 -11.965 -7.903 210 1HG ARG 475 HG2 ARG 475 10.492 -12.442 -9.611 211 2HG ARG 475 HG1 ARG 475 11.211 -11.125 -10.539 212 1HD ARG 475 HD2 ARG 475 12.801 -13.467 -9.519 213 2HD ARG 475 HD1 ARG 475 12.012 -13.463 -11.096 214 HE ARG 475 HE ARG 475 13.572 -11.153 -10.890 215 1HH1 ARG 475 HH11 ARG 475 13.991 -14.611 -11.075 216 2HH1 ARG 475 HH12 ARG 475 15.540 -14.508 -11.840 217 1HH2 ARG 475 HH21 ARG 475 15.610 -11.015 -11.896 218 2HH2 ARG 475 HH22 ARG 475 16.461 -12.467 -12.307 219 H ASP 476 HN ASP 476 8.427 -11.257 -8.673 220 HA ASP 476 HA ASP 476 8.249 -9.236 -10.664 221 1HB ASP 476 HB2 ASP 476 6.344 -11.291 -9.569 222 2HB ASP 476 HB1 ASP 476 5.767 -10.041 -10.668 223 H VAL 477 HN VAL 477 6.603 -9.807 -7.582 224 HA VAL 477 HA VAL 477 5.209 -7.370 -7.621 225 HB VAL 477 HB VAL 477 4.316 -8.966 -6.152 226 1HG1 VAL 477 HG11 VAL 477 6.197 -10.412 -5.871 227 2HG1 VAL 477 HG12 VAL 477 5.625 -9.943 -4.276 228 3HG1 VAL 477 HG13 VAL 477 7.064 -9.189 -4.951 229 1HG2 VAL 477 HG21 VAL 477 3.908 -7.660 -4.357 230 2HG2 VAL 477 HG22 VAL 477 4.834 -6.475 -5.276 231 3HG2 VAL 477 HG23 VAL 477 5.620 -7.416 -4.010 232 H ALA 478 HN ALA 478 8.354 -8.363 -6.443 233 HA ALA 478 HA ALA 478 9.081 -6.122 -4.959 234 1HB ALA 478 HB1 ALA 478 10.383 -8.282 -5.252 235 2HB ALA 478 HB2 ALA 478 11.330 -6.795 -5.249 236 3HB ALA 478 HB3 ALA 478 10.971 -7.609 -6.772 237 H LEU 479 HN LEU 479 8.932 -6.674 -8.411 238 HA LEU 479 HA LEU 479 10.262 -4.266 -9.162 239 1HB LEU 479 HB2 LEU 479 9.921 -4.932 -11.308 240 2HB LEU 479 HB1 LEU 479 9.629 -6.473 -10.526 241 HG LEU 479 HG LEU 479 7.128 -5.494 -10.494 242 1HD1 LEU 479 HD11 LEU 479 6.595 -4.121 -12.258 243 2HD1 LEU 479 HD12 LEU 479 8.040 -4.551 -13.172 244 3HD1 LEU 479 HD13 LEU 479 8.164 -3.471 -11.784 245 1HD2 LEU 479 HD21 LEU 479 6.699 -7.211 -11.884 246 2HD2 LEU 479 HD22 LEU 479 8.419 -7.553 -11.705 247 3HD2 LEU 479 HD23 LEU 479 7.843 -6.645 -13.102 248 H VAL 480 HN VAL 480 6.957 -5.224 -8.500 249 HA VAL 480 HA VAL 480 5.594 -2.984 -9.464 250 HB VAL 480 HB VAL 480 4.857 -4.619 -7.037 251 1HG1 VAL 480 HG11 VAL 480 3.649 -2.438 -7.403 252 2HG1 VAL 480 HG12 VAL 480 2.627 -3.875 -7.366 253 3HG1 VAL 480 HG13 VAL 480 3.034 -3.122 -8.908 254 1HG2 VAL 480 HG21 VAL 480 5.273 -5.999 -9.052 255 2HG2 VAL 480 HG22 VAL 480 4.062 -5.053 -9.914 256 3HG2 VAL 480 HG23 VAL 480 3.590 -6.035 -8.528 257 H VAL 481 HN VAL 481 7.115 -3.562 -6.337 258 HA VAL 481 HA VAL 481 6.256 -1.107 -5.199 259 HB VAL 481 HB VAL 481 6.848 -2.825 -3.679 260 1HG1 VAL 481 HG11 VAL 481 8.323 -4.115 -5.122 261 2HG1 VAL 481 HG12 VAL 481 9.058 -3.837 -3.542 262 3HG1 VAL 481 HG13 VAL 481 9.582 -2.893 -4.934 263 1HG2 VAL 481 HG21 VAL 481 8.970 -0.688 -3.652 264 2HG2 VAL 481 HG22 VAL 481 8.642 -1.786 -2.313 265 3HG2 VAL 481 HG23 VAL 481 7.404 -0.647 -2.843 266 H GLN 482 HN GLN 482 9.366 -2.154 -6.619 267 HA GLN 482 HA GLN 482 10.645 0.339 -6.288 268 1HB GLN 482 HB2 GLN 482 11.564 -2.064 -6.877 269 2HB GLN 482 HB1 GLN 482 11.409 -1.479 -8.525 270 1HG GLN 482 HG2 GLN 482 12.688 0.600 -7.311 271 2HG GLN 482 HG1 GLN 482 13.354 -0.793 -6.459 272 1HE2 GLN 482 HE21 GLN 482 14.583 -2.291 -7.586 273 2HE2 GLN 482 HE22 GLN 482 15.224 -1.968 -9.157 274 H GLU 483 HN GLU 483 8.826 -1.009 -9.021 275 HA GLU 483 HA GLU 483 9.449 1.206 -10.727 276 1HB GLU 483 HB2 GLU 483 7.831 -1.267 -10.967 277 2HB GLU 483 HB1 GLU 483 7.445 0.059 -12.052 278 1HG GLU 483 HG2 GLU 483 8.967 -1.256 -13.229 279 2HG GLU 483 HG1 GLU 483 9.916 0.104 -12.630 280 H ARG 484 HN ARG 484 6.459 0.221 -9.001 281 HA ARG 484 HA ARG 484 5.200 2.676 -9.937 282 1HB ARG 484 HB2 ARG 484 4.118 0.320 -8.408 283 2HB ARG 484 HB1 ARG 484 3.162 1.733 -8.833 284 1HG ARG 484 HG2 ARG 484 3.448 1.287 -11.176 285 2HG ARG 484 HG1 ARG 484 4.558 -0.038 -10.826 286 1HD ARG 484 HD2 ARG 484 2.737 -1.221 -9.663 287 2HD ARG 484 HD1 ARG 484 1.637 0.091 -10.084 288 HE ARG 484 HE ARG 484 1.429 -0.828 -12.157 289 1HH1 ARG 484 HH11 ARG 484 4.379 -2.022 -10.728 290 2HH1 ARG 484 HH12 ARG 484 4.708 -3.124 -12.023 291 1HH2 ARG 484 HH21 ARG 484 1.858 -2.276 -13.860 292 2HH2 ARG 484 HH22 ARG 484 3.277 -3.268 -13.801 293 H ILE 485 HN ILE 485 5.750 1.116 -6.756 294 HA ILE 485 HA ILE 485 4.681 3.092 -5.174 295 HB ILE 485 HB ILE 485 6.092 0.785 -4.668 296 1HG1 ILE 485 HG12 ILE 485 5.558 2.669 -2.422 297 2HG1 ILE 485 HG11 ILE 485 4.207 2.172 -3.437 298 1HG2 ILE 485 HG21 ILE 485 7.572 2.875 -3.126 299 2HG2 ILE 485 HG22 ILE 485 8.167 2.333 -4.695 300 3HG2 ILE 485 HG23 ILE 485 7.972 1.178 -3.379 301 1HD1 ILE 485 HD11 ILE 485 4.349 0.754 -1.508 302 2HD1 ILE 485 HD12 ILE 485 6.036 0.370 -1.870 303 3HD1 ILE 485 HD13 ILE 485 4.753 -0.172 -2.953 304 H GLY 486 HN GLY 486 5.788 4.647 -3.754 305 1HA GLY 486 HA2 GLY 486 8.137 5.831 -3.781 306 2HA GLY 486 HA1 GLY 486 7.576 6.308 -5.375 307 H GLY 487 HN GLY 487 5.875 6.059 -2.256 308 1HA GLY 487 HA2 GLY 487 4.618 8.618 -2.719 309 2HA GLY 487 HA1 GLY 487 4.360 7.561 -1.340 310 H ARG 488 HN ARG 488 5.316 8.046 0.550 311 HA ARG 488 HA ARG 488 7.359 10.169 0.527 312 1HB ARG 488 HB2 ARG 488 4.795 10.266 1.666 313 2HB ARG 488 HB1 ARG 488 5.899 10.055 3.019 314 1HG ARG 488 HG2 ARG 488 5.960 12.305 2.915 315 2HG ARG 488 HG1 ARG 488 7.206 11.980 1.707 316 1HD ARG 488 HD2 ARG 488 5.806 12.479 -0.063 317 2HD ARG 488 HD1 ARG 488 4.344 12.160 0.870 318 HE ARG 488 HE ARG 488 5.854 14.414 1.821 319 1HH1 ARG 488 HH11 ARG 488 3.411 13.352 -0.434 320 2HH1 ARG 488 HH12 ARG 488 2.687 14.918 -0.581 321 1HH2 ARG 488 HH21 ARG 488 4.905 16.474 1.630 322 2HH2 ARG 488 HH22 ARG 488 3.537 16.692 0.590 323 H PHE 489 HN PHE 489 7.975 10.154 3.225 324 HA PHE 489 HA PHE 489 9.308 7.547 3.475 325 1HB PHE 489 HB2 PHE 489 10.649 9.716 3.351 326 2HB PHE 489 HB1 PHE 489 10.027 10.073 4.957 327 HD1 PHE 489 HD1 PHE 489 12.231 7.911 2.995 328 HD2 PHE 489 HD2 PHE 489 10.793 8.857 6.887 329 HE1 PHE 489 HE1 PHE 489 14.053 6.588 3.986 330 HE2 PHE 489 HE2 PHE 489 12.614 7.536 7.885 331 HZ PHE 489 HZ PHE 489 14.246 6.399 6.434 332 H ASN 490 HN ASN 490 9.305 6.415 5.420 333 HA ASN 490 HA ASN 490 7.339 7.331 7.416 334 1HB ASN 490 HB2 ASN 490 7.514 4.805 5.942 335 2HB ASN 490 HB1 ASN 490 7.385 4.584 7.685 336 1HD2 ASN 490 HD21 ASN 490 5.325 3.599 7.062 337 2HD2 ASN 490 HD22 ASN 490 3.944 4.619 6.876 338 H ILE 491 HN ILE 491 9.526 4.534 7.405 339 HA ILE 491 HA ILE 491 11.068 5.781 9.564 340 HB ILE 491 HB ILE 491 9.319 4.285 10.546 341 1HG1 ILE 491 HG12 ILE 491 11.985 3.058 11.126 342 2HG1 ILE 491 HG11 ILE 491 11.743 4.772 11.445 343 1HG2 ILE 491 HG21 ILE 491 8.965 2.448 9.280 344 2HG2 ILE 491 HG22 ILE 491 10.170 1.768 10.373 345 3HG2 ILE 491 HG23 ILE 491 10.648 2.334 8.775 346 1HD1 ILE 491 HD11 ILE 491 10.157 4.367 13.086 347 2HD1 ILE 491 HD12 ILE 491 11.349 3.092 13.341 348 3HD1 ILE 491 HD13 ILE 491 9.837 2.732 12.510 349 H GLU 492 HN GLU 492 13.120 4.572 10.016 350 HA GLU 492 HA GLU 492 14.646 4.355 7.713 351 1HB GLU 492 HB2 GLU 492 15.068 3.586 10.562 352 2HB GLU 492 HB1 GLU 492 16.247 3.076 9.362 353 1HG GLU 492 HG2 GLU 492 15.522 5.893 9.153 354 2HG GLU 492 HG1 GLU 492 16.249 5.461 10.701 355 H GLU 493 HN GLU 493 13.381 1.662 9.718 356 HA GLU 493 HA GLU 493 14.571 -0.326 8.100 357 1HB GLU 493 HB2 GLU 493 12.887 -1.838 9.289 358 2HB GLU 493 HB1 GLU 493 14.102 -1.030 10.256 359 1HG GLU 493 HG2 GLU 493 11.655 0.512 10.003 360 2HG GLU 493 HG1 GLU 493 11.401 -1.073 10.732 361 H HIS 494 HN HIS 494 11.142 0.736 8.271 362 HA HIS 494 HA HIS 494 10.028 -0.901 6.383 363 1HB HIS 494 HB2 HIS 494 9.469 1.834 7.336 364 2HB HIS 494 HB1 HIS 494 8.809 1.461 5.750 365 HD1 HIS 494 HD1 HIS 494 8.009 -1.479 6.253 366 HD2 HIS 494 HD2 HIS 494 7.203 1.659 8.851 367 HE1 HIS 494 HE1 HIS 494 6.024 -2.220 7.604 368 HE2 HIS 494 HE2 HIS 494 5.535 -0.295 9.154 369 H ARG 495 HN ARG 495 11.437 2.297 5.711 370 HA ARG 495 HA ARG 495 11.347 2.149 2.927 371 1HB ARG 495 HB2 ARG 495 11.927 4.156 4.442 372 2HB ARG 495 HB1 ARG 495 13.567 3.523 4.432 373 1HG ARG 495 HG2 ARG 495 12.420 3.741 1.766 374 2HG ARG 495 HG1 ARG 495 12.503 5.285 2.618 375 1HD ARG 495 HD2 ARG 495 14.774 5.305 2.639 376 2HD ARG 495 HD1 ARG 495 14.896 3.550 2.762 377 HE ARG 495 HE ARG 495 13.968 3.924 0.252 378 1HH1 ARG 495 HH11 ARG 495 16.671 5.257 2.012 379 2HH1 ARG 495 HH12 ARG 495 17.649 5.465 0.597 380 1HH2 ARG 495 HH21 ARG 495 15.252 4.196 -1.608 381 2HH2 ARG 495 HH22 ARG 495 16.844 4.863 -1.458 382 H ALA 496 HN ALA 496 13.593 0.842 5.269 383 HA ALA 496 HA ALA 496 15.702 0.175 3.550 384 1HB ALA 496 HB1 ALA 496 16.570 -1.107 5.259 385 2HB ALA 496 HB2 ALA 496 14.981 -1.589 5.850 386 3HB ALA 496 HB3 ALA 496 15.568 0.050 6.138 387 H LEU 497 HN LEU 497 12.594 -1.356 4.120 388 HA LEU 497 HA LEU 497 13.327 -3.795 2.810 389 1HB LEU 497 HB2 LEU 497 11.244 -3.144 4.419 390 2HB LEU 497 HB1 LEU 497 10.474 -3.071 2.844 391 HG LEU 497 HG LEU 497 12.092 -5.469 3.637 392 1HD1 LEU 497 HD11 LEU 497 9.539 -6.274 4.056 393 2HD1 LEU 497 HD12 LEU 497 9.509 -4.643 4.724 394 3HD1 LEU 497 HD13 LEU 497 10.676 -5.820 5.322 395 1HD2 LEU 497 HD21 LEU 497 9.676 -5.774 2.029 396 2HD2 LEU 497 HD22 LEU 497 11.308 -6.385 1.757 397 3HD2 LEU 497 HD23 LEU 497 10.895 -4.735 1.290 398 H ALA 498 HN ALA 498 11.315 -1.000 1.887 399 HA ALA 498 HA ALA 498 10.895 -1.729 -0.785 400 1HB ALA 498 HB1 ALA 498 9.678 0.130 -0.364 401 2HB ALA 498 HB2 ALA 498 11.101 0.938 -1.025 402 3HB ALA 498 HB3 ALA 498 10.889 0.814 0.722 403 H ALA 499 HN ALA 499 13.592 -0.267 0.886 404 HA ALA 499 HA ALA 499 15.188 0.280 -1.423 405 1HB ALA 499 HB1 ALA 499 15.314 1.154 1.106 406 2HB ALA 499 HB2 ALA 499 16.704 1.152 0.023 407 3HB ALA 499 HB3 ALA 499 16.496 -0.156 1.191 408 H TYR 500 HN TYR 500 14.774 -2.405 0.814 409 HA TYR 500 HA TYR 500 17.069 -3.834 0.410 410 1HB TYR 500 HB2 TYR 500 14.233 -4.780 0.773 411 2HB TYR 500 HB1 TYR 500 15.544 -5.922 0.571 412 HD1 TYR 500 HD1 TYR 500 17.439 -3.881 2.259 413 HD2 TYR 500 HD2 TYR 500 13.738 -5.870 2.891 414 HE1 TYR 500 HE1 TYR 500 17.830 -3.838 4.688 415 HE2 TYR 500 HE2 TYR 500 14.101 -5.834 5.304 416 HH TYR 500 HH TYR 500 16.093 -3.910 6.830 417 H ILE 501 HN ILE 501 14.043 -4.170 -1.431 418 HA ILE 501 HA ILE 501 15.004 -5.919 -3.380 419 HB ILE 501 HB ILE 501 13.166 -4.945 -4.848 420 1HG1 ILE 501 HG12 ILE 501 11.626 -3.712 -2.854 421 2HG1 ILE 501 HG11 ILE 501 13.221 -2.983 -2.724 422 1HG2 ILE 501 HG21 ILE 501 11.373 -5.910 -3.406 423 2HG2 ILE 501 HG22 ILE 501 12.555 -6.020 -2.102 424 3HG2 ILE 501 HG23 ILE 501 12.793 -6.940 -3.588 425 1HD1 ILE 501 HD11 ILE 501 11.693 -3.188 -5.298 426 2HD1 ILE 501 HD12 ILE 501 13.155 -2.254 -4.983 427 3HD1 ILE 501 HD13 ILE 501 11.631 -1.791 -4.225 428 H TYR 502 HN TYR 502 14.937 -2.363 -3.339 429 HA TYR 502 HA TYR 502 15.776 -1.717 -5.844 430 1HB TYR 502 HB2 TYR 502 15.903 -0.491 -3.248 431 2HB TYR 502 HB1 TYR 502 17.386 -0.143 -4.130 432 HD1 TYR 502 HD1 TYR 502 13.782 0.406 -3.971 433 HD2 TYR 502 HD2 TYR 502 17.323 1.144 -6.210 434 HE1 TYR 502 HE1 TYR 502 12.614 2.171 -5.224 435 HE2 TYR 502 HE2 TYR 502 16.165 2.911 -7.470 436 HH TYR 502 HH TYR 502 13.548 4.403 -6.561 437 H ALA 503 HN ALA 503 17.952 -2.602 -3.160 438 HA ALA 503 HA ALA 503 20.284 -2.638 -4.814 439 1HB ALA 503 HB1 ALA 503 19.661 -3.318 -1.991 440 2HB ALA 503 HB2 ALA 503 20.893 -2.244 -2.652 441 3HB ALA 503 HB3 ALA 503 21.129 -3.991 -2.699 442 H PHE 504 HN PHE 504 18.106 -5.100 -3.504 443 HA PHE 504 HA PHE 504 19.469 -7.391 -4.278 444 1HB PHE 504 HB2 PHE 504 16.731 -6.697 -3.534 445 2HB PHE 504 HB1 PHE 504 16.801 -8.035 -4.676 446 HD1 PHE 504 HD1 PHE 504 17.244 -10.180 -3.930 447 HD2 PHE 504 HD2 PHE 504 18.196 -6.867 -1.437 448 HE1 PHE 504 HE1 PHE 504 17.771 -11.723 -2.089 449 HE2 PHE 504 HE2 PHE 504 18.726 -8.403 0.409 450 HZ PHE 504 HZ PHE 504 18.516 -10.835 0.085 451 H TYR 505 HN TYR 505 17.442 -5.210 -6.122 452 HA TYR 505 HA TYR 505 17.233 -6.814 -8.451 453 1HB TYR 505 HB2 TYR 505 16.672 -3.992 -7.725 454 2HB TYR 505 HB1 TYR 505 16.932 -4.325 -9.435 455 HD1 TYR 505 HD1 TYR 505 14.923 -5.439 -6.506 456 HD2 TYR 505 HD2 TYR 505 15.193 -5.158 -10.740 457 HE1 TYR 505 HE1 TYR 505 12.609 -6.244 -6.689 458 HE2 TYR 505 HE2 TYR 505 12.880 -5.963 -10.944 459 HH TYR 505 HH TYR 505 11.328 -7.495 -9.322 460 H GLU 506 HN GLU 506 19.548 -4.454 -7.289 461 HA GLU 506 HA GLU 506 21.024 -4.152 -9.674 462 1HB GLU 506 HB2 GLU 506 21.121 -3.066 -7.134 463 2HB GLU 506 HB1 GLU 506 22.609 -4.001 -7.216 464 1HG GLU 506 HG2 GLU 506 21.739 -1.838 -9.119 465 2HG GLU 506 HG1 GLU 506 23.017 -1.732 -7.909 466 H GLU 507 HN GLU 507 20.921 -6.610 -7.220 467 HA GLU 507 HA GLU 507 23.370 -7.878 -8.143 468 1HB GLU 507 HB2 GLU 507 21.807 -7.939 -5.755 469 2HB GLU 507 HB1 GLU 507 21.890 -9.576 -6.392 470 1HG GLU 507 HG2 GLU 507 24.336 -9.413 -6.459 471 2HG GLU 507 HG1 GLU 507 24.234 -7.789 -5.779 472 H GLY 508 HN GLY 508 19.921 -8.145 -8.530 473 1HA GLY 508 HA2 GLY 508 18.661 -9.378 -9.999 474 2HA GLY 508 HA1 GLY 508 20.158 -9.789 -10.822 475 H HIS 509 HN HIS 509 18.051 -10.663 -8.124 476 HA HIS 509 HA HIS 509 18.442 -13.443 -8.626 477 1HB HIS 509 HB2 HIS 509 19.389 -13.971 -6.352 478 2HB HIS 509 HB1 HIS 509 20.511 -13.190 -7.461 479 HD1 HIS 509 HD1 HIS 509 21.533 -12.827 -4.846 480 HD2 HIS 509 HD2 HIS 509 18.408 -10.417 -6.152 481 HE1 HIS 509 HE1 HIS 509 21.572 -10.806 -3.351 482 HE2 HIS 509 HE2 HIS 509 19.702 -9.340 -4.189 483 H GLU 510 HN GLU 510 16.269 -11.564 -8.373 484 HA GLU 510 HA GLU 510 14.160 -11.468 -7.534 485 1HB GLU 510 HB2 GLU 510 14.013 -13.814 -7.972 486 2HB GLU 510 HB1 GLU 510 14.961 -14.205 -6.546 487 1HG GLU 510 HG2 GLU 510 13.199 -13.986 -5.141 488 2HG GLU 510 HG1 GLU 510 12.434 -12.729 -6.112 489 H ALA 511 HN ALA 511 12.985 -10.895 -5.670 490 HA ALA 511 HA ALA 511 14.557 -9.786 -3.581 491 1HB ALA 511 HB1 ALA 511 12.271 -9.018 -4.537 492 2HB ALA 511 HB2 ALA 511 12.609 -8.804 -2.819 493 3HB ALA 511 HB3 ALA 511 11.598 -10.144 -3.359 494 H ASP 512 HN ASP 512 15.520 -12.077 -3.177 495 HA ASP 512 HA ASP 512 14.092 -14.081 -1.876 496 1HB ASP 512 HB2 ASP 512 16.984 -13.373 -1.369 497 2HB ASP 512 HB1 ASP 512 16.220 -14.943 -1.141 498 HA PRO 513 HA PRO 513 13.206 -11.938 1.971 499 1HB PRO 513 HB2 PRO 513 12.132 -14.462 2.940 500 2HB PRO 513 HB1 PRO 513 11.284 -12.958 2.584 501 1HG PRO 513 HG2 PRO 513 11.036 -15.238 1.099 502 2HG PRO 513 HG1 PRO 513 10.765 -13.609 0.464 503 1HD PRO 513 HD2 PRO 513 13.105 -15.416 0.119 504 2HD PRO 513 HD1 PRO 513 12.404 -14.241 -1.011 505 H GLY 514 HN GLY 514 14.718 -15.096 1.754 506 1HA GLY 514 HA2 GLY 514 15.537 -15.427 4.389 507 2HA GLY 514 HA1 GLY 514 16.382 -16.081 2.996 508 H ALA 515 HN ALA 515 17.423 -13.973 1.734 509 HA ALA 515 HA ALA 515 19.479 -13.114 3.566 510 1HB ALA 515 HB1 ALA 515 19.998 -11.827 1.203 511 2HB ALA 515 HB2 ALA 515 19.137 -13.271 0.671 512 3HB ALA 515 HB3 ALA 515 20.595 -13.426 1.652 513 H LEU 516 HN LEU 516 16.736 -11.747 1.932 514 HA LEU 516 HA LEU 516 17.397 -9.023 2.445 515 1HB LEU 516 HB2 LEU 516 16.051 -9.631 0.547 516 2HB LEU 516 HB1 LEU 516 14.842 -10.357 1.588 517 HG LEU 516 HG LEU 516 15.502 -7.431 1.745 518 1HD1 LEU 516 HD11 LEU 516 14.789 -7.441 -0.425 519 2HD1 LEU 516 HD12 LEU 516 13.227 -7.392 0.392 520 3HD1 LEU 516 HD13 LEU 516 13.854 -8.922 -0.224 521 1HD2 LEU 516 HD21 LEU 516 14.236 -7.829 3.578 522 2HD2 LEU 516 HD22 LEU 516 13.537 -9.293 2.891 523 3HD2 LEU 516 HD23 LEU 516 12.916 -7.716 2.408 524 H ILE 517 HN ILE 517 14.773 -11.095 3.791 525 HA ILE 517 HA ILE 517 13.873 -9.252 5.671 526 HB ILE 517 HB ILE 517 13.905 -12.227 6.188 527 1HG1 ILE 517 HG12 ILE 517 12.862 -12.169 4.093 528 2HG1 ILE 517 HG11 ILE 517 11.517 -12.080 5.207 529 1HG2 ILE 517 HG21 ILE 517 12.927 -10.025 7.652 530 2HG2 ILE 517 HG22 ILE 517 12.726 -11.742 7.997 531 3HG2 ILE 517 HG23 ILE 517 11.523 -10.891 7.027 532 1HD1 ILE 517 HD11 ILE 517 12.505 -9.467 4.418 533 2HD1 ILE 517 HD12 ILE 517 10.874 -10.117 4.413 534 3HD1 ILE 517 HD13 ILE 517 11.956 -10.449 3.060 535 H SER 518 HN SER 518 16.664 -11.331 5.745 536 HA SER 518 HA SER 518 17.150 -10.836 8.561 537 1HB SER 518 HB2 SER 518 17.681 -13.032 7.455 538 2HB SER 518 HB1 SER 518 18.969 -12.208 6.575 539 HG SER 518 HG SER 518 18.795 -12.879 9.275 540 H ARG 519 HN ARG 519 17.087 -8.470 6.917 541 HA ARG 519 HA ARG 519 19.871 -7.582 7.293 542 1HB ARG 519 HB2 ARG 519 18.060 -7.175 4.948 543 2HB ARG 519 HB1 ARG 519 19.226 -5.923 5.355 544 1HG ARG 519 HG2 ARG 519 21.054 -7.395 5.022 545 2HG ARG 519 HG1 ARG 519 19.988 -8.799 4.920 546 1HD ARG 519 HD2 ARG 519 19.001 -7.877 2.866 547 2HD ARG 519 HD1 ARG 519 20.104 -6.505 2.963 548 HE ARG 519 HE ARG 519 21.462 -9.026 2.951 549 1HH1 ARG 519 HH11 ARG 519 19.992 -6.593 0.927 550 2HH1 ARG 519 HH12 ARG 519 20.935 -7.002 -0.466 551 1HH2 ARG 519 HH21 ARG 519 22.705 -9.566 1.120 552 2HH2 ARG 519 HH22 ARG 519 22.475 -8.690 -0.357 553 H ILE 520 HN ILE 520 16.879 -7.340 8.434 554 HA ILE 520 HA ILE 520 16.528 -4.506 8.645 555 HB ILE 520 HB ILE 520 15.113 -5.970 10.705 556 1HG1 ILE 520 HG12 ILE 520 15.346 -7.885 9.154 557 2HG1 ILE 520 HG11 ILE 520 13.685 -7.337 9.288 558 1HG2 ILE 520 HG21 ILE 520 13.411 -5.037 8.664 559 2HG2 ILE 520 HG22 ILE 520 14.709 -3.862 8.851 560 3HG2 ILE 520 HG23 ILE 520 13.724 -4.323 10.243 561 1HD1 ILE 520 HD11 ILE 520 14.011 -7.768 7.024 562 2HD1 ILE 520 HD12 ILE 520 15.571 -6.946 7.001 563 3HD1 ILE 520 HD13 ILE 520 14.086 -6.015 7.185 564 HA PRO 521 HA PRO 521 18.821 -3.847 12.358 565 1HB PRO 521 HB2 PRO 521 17.795 -1.506 13.166 566 2HB PRO 521 HB1 PRO 521 18.736 -1.651 11.678 567 1HG PRO 521 HG2 PRO 521 15.819 -1.314 12.043 568 2HG PRO 521 HG1 PRO 521 16.852 -0.810 10.697 569 1HD PRO 521 HD2 PRO 521 15.195 -3.108 10.837 570 2HD PRO 521 HD1 PRO 521 16.345 -2.691 9.552 571 H GLY 522 HN GLY 522 15.259 -3.479 12.793 572 1HA GLY 522 HA2 GLY 522 15.253 -5.213 15.021 573 2HA GLY 522 HA1 GLY 522 15.306 -3.559 15.593 574 H GLU 523 HN GLU 523 13.529 -2.455 13.523 575 HA GLU 523 HA GLU 523 11.058 -3.366 14.760 576 1HB GLU 523 HB2 GLU 523 11.988 -0.893 13.955 577 2HB GLU 523 HB1 GLU 523 10.771 -1.280 12.747 578 1HG GLU 523 HG2 GLU 523 9.554 -1.959 15.123 579 2HG GLU 523 HG1 GLU 523 10.465 -0.506 15.526 580 H LEU 524 HN LEU 524 12.368 -3.139 11.442 581 HA LEU 524 HA LEU 524 9.972 -4.411 10.430 582 1HB LEU 524 HB2 LEU 524 10.789 -2.824 8.933 583 2HB LEU 524 HB1 LEU 524 12.442 -3.338 9.121 584 HG LEU 524 HG LEU 524 11.569 -5.543 7.970 585 1HD1 LEU 524 HD11 LEU 524 9.793 -3.778 6.445 586 2HD1 LEU 524 HD12 LEU 524 9.214 -4.210 8.054 587 3HD1 LEU 524 HD13 LEU 524 9.604 -5.475 6.889 588 1HD2 LEU 524 HD21 LEU 524 13.277 -4.316 6.917 589 2HD2 LEU 524 HD22 LEU 524 12.227 -2.925 6.651 590 3HD2 LEU 524 HD23 LEU 524 11.984 -4.403 5.723 591 H GLN 525 HN GLN 525 12.581 -5.463 12.090 592 HA GLN 525 HA GLN 525 13.212 -7.877 10.708 593 1HB GLN 525 HB2 GLN 525 14.009 -6.578 13.152 594 2HB GLN 525 HB1 GLN 525 13.614 -8.259 13.482 595 1HG GLN 525 HG2 GLN 525 15.225 -8.024 11.108 596 2HG GLN 525 HG1 GLN 525 16.001 -7.245 12.483 597 1HE2 GLN 525 HE21 GLN 525 16.678 -9.699 11.007 598 2HE2 GLN 525 HE22 GLN 525 16.750 -10.951 12.194 599 HA PRO 526 HA PRO 526 9.991 -9.843 13.735 600 1HB PRO 526 HB2 PRO 526 8.604 -7.537 14.915 601 2HB PRO 526 HB1 PRO 526 9.276 -8.963 15.711 602 1HG PRO 526 HG2 PRO 526 10.387 -6.520 15.962 603 2HG PRO 526 HG1 PRO 526 11.350 -8.008 15.970 604 1HD PRO 526 HD2 PRO 526 10.936 -6.030 13.765 605 2HD PRO 526 HD1 PRO 526 12.405 -6.899 14.243 606 H LEU 527 HN LEU 527 9.277 -6.672 12.341 607 HA LEU 527 HA LEU 527 6.601 -7.189 11.602 608 1HB LEU 527 HB2 LEU 527 8.127 -4.995 11.632 609 2HB LEU 527 HB1 LEU 527 8.261 -5.385 9.931 610 HG LEU 527 HG LEU 527 5.591 -5.535 10.197 611 1HD1 LEU 527 HD11 LEU 527 5.122 -4.897 12.323 612 2HD1 LEU 527 HD12 LEU 527 5.204 -3.296 11.587 613 3HD1 LEU 527 HD13 LEU 527 6.589 -3.929 12.476 614 1HD2 LEU 527 HD21 LEU 527 6.676 -4.219 8.520 615 2HD2 LEU 527 HD22 LEU 527 7.280 -3.084 9.726 616 3HD2 LEU 527 HD23 LEU 527 5.552 -3.171 9.387 617 H ALA 528 HN ALA 528 9.553 -7.194 9.611 618 HA ALA 528 HA ALA 528 8.413 -8.111 7.248 619 1HB ALA 528 HB1 ALA 528 10.690 -8.768 6.604 620 2HB ALA 528 HB2 ALA 528 11.211 -8.530 8.273 621 3HB ALA 528 HB3 ALA 528 10.630 -7.160 7.328 622 H SER 529 HN SER 529 9.945 -10.010 9.855 623 HA SER 529 HA SER 529 9.763 -12.522 8.680 624 1HB SER 529 HB2 SER 529 9.882 -11.529 11.488 625 2HB SER 529 HB1 SER 529 9.407 -13.209 11.242 626 HG SER 529 HG SER 529 11.370 -13.304 9.864 627 H GLU 530 HN GLU 530 7.395 -10.828 10.703 628 HA GLU 530 HA GLU 530 5.411 -12.874 10.485 629 1HB GLU 530 HB2 GLU 530 5.562 -10.132 11.621 630 2HB GLU 530 HB1 GLU 530 3.962 -10.718 11.185 631 1HG GLU 530 HG2 GLU 530 5.761 -12.423 12.844 632 2HG GLU 530 HG1 GLU 530 4.886 -11.083 13.586 633 H LEU 531 HN LEU 531 6.331 -10.064 8.674 634 HA LEU 531 HA LEU 531 3.944 -9.833 7.133 635 1HB LEU 531 HB2 LEU 531 6.524 -8.505 7.270 636 2HB LEU 531 HB1 LEU 531 5.951 -8.688 5.627 637 HG LEU 531 HG LEU 531 3.903 -7.493 6.148 638 1HD1 LEU 531 HD11 LEU 531 3.353 -6.711 8.284 639 2HD1 LEU 531 HD12 LEU 531 4.983 -6.974 8.904 640 3HD1 LEU 531 HD13 LEU 531 3.934 -8.351 8.570 641 1HD2 LEU 531 HD21 LEU 531 6.186 -6.374 5.656 642 2HD2 LEU 531 HD22 LEU 531 6.115 -5.865 7.343 643 3HD2 LEU 531 HD23 LEU 531 4.845 -5.376 6.221 644 H SER 532 HN SER 532 6.589 -11.989 7.001 645 HA SER 532 HA SER 532 7.062 -12.399 4.370 646 1HB SER 532 HB2 SER 532 7.670 -13.783 6.637 647 2HB SER 532 HB1 SER 532 6.609 -14.927 5.816 648 HG SER 532 HG SER 532 7.996 -14.523 3.924 649 H LEU 533 HN LEU 533 4.080 -12.970 5.993 650 HA LEU 533 HA LEU 533 2.816 -13.518 3.468 651 1HB LEU 533 HB2 LEU 533 3.532 -15.730 4.897 652 2HB LEU 533 HB1 LEU 533 1.915 -15.437 5.507 653 HG LEU 533 HG LEU 533 1.715 -16.984 3.710 654 1HD1 LEU 533 HD11 LEU 533 0.803 -15.051 1.903 655 2HD1 LEU 533 HD12 LEU 533 0.592 -14.342 3.500 656 3HD1 LEU 533 HD13 LEU 533 -0.136 -15.901 3.129 657 1HD2 LEU 533 HD21 LEU 533 3.534 -16.987 2.370 658 2HD2 LEU 533 HD22 LEU 533 3.717 -15.234 2.430 659 3HD2 LEU 533 HD23 LEU 533 2.511 -15.958 1.369 660 H LEU 534 HN LEU 534 2.651 -11.257 4.992 661 HA LEU 534 HA LEU 534 0.693 -11.152 6.937 662 1HB LEU 534 HB2 LEU 534 2.114 -9.291 5.308 663 2HB LEU 534 HB1 LEU 534 0.421 -8.844 5.291 664 HG LEU 534 HG LEU 534 2.326 -8.913 7.598 665 1HD1 LEU 534 HD11 LEU 534 0.297 -6.906 6.640 666 2HD1 LEU 534 HD12 LEU 534 2.036 -6.840 6.350 667 3HD1 LEU 534 HD13 LEU 534 1.408 -6.692 7.992 668 1HD2 LEU 534 HD21 LEU 534 0.602 -10.119 8.588 669 2HD2 LEU 534 HD22 LEU 534 -0.648 -9.252 7.696 670 3HD2 LEU 534 HD23 LEU 534 0.222 -8.449 9.004 671 H LEU 535 HN LEU 535 0.448 -11.210 3.466 672 HA LEU 535 HA LEU 535 -2.046 -12.404 3.411 673 1HB LEU 535 HB2 LEU 535 -3.333 -10.450 2.395 674 2HB LEU 535 HB1 LEU 535 -3.122 -10.456 4.135 675 HG LEU 535 HG LEU 535 -0.972 -9.023 2.809 676 1HD1 LEU 535 HD11 LEU 535 -2.083 -7.308 1.753 677 2HD1 LEU 535 HD12 LEU 535 -3.606 -7.640 2.578 678 3HD1 LEU 535 HD13 LEU 535 -3.057 -8.701 1.280 679 1HD2 LEU 535 HD21 LEU 535 -2.115 -9.048 5.262 680 2HD2 LEU 535 HD22 LEU 535 -2.862 -7.612 4.562 681 3HD2 LEU 535 HD23 LEU 535 -1.106 -7.739 4.649 682 H ILE 536 HN ILE 536 0.232 -12.963 2.169 683 HA ILE 536 HA ILE 536 -0.181 -12.122 -0.620 684 HB ILE 536 HB ILE 536 2.117 -12.365 -1.054 685 1HG1 ILE 536 HG12 ILE 536 2.289 -13.793 1.605 686 2HG1 ILE 536 HG11 ILE 536 2.611 -14.462 0.008 687 1HG2 ILE 536 HG21 ILE 536 2.946 -10.642 0.144 688 2HG2 ILE 536 HG22 ILE 536 2.439 -11.318 1.693 689 3HG2 ILE 536 HG23 ILE 536 1.264 -10.519 0.652 690 1HD1 ILE 536 HD11 ILE 536 4.536 -12.907 -0.183 691 2HD1 ILE 536 HD12 ILE 536 4.689 -14.089 1.117 692 3HD1 ILE 536 HD13 ILE 536 4.250 -12.419 1.488 693 H ALA 537 HN ALA 537 1.361 -13.987 -1.874 694 HA ALA 537 HA ALA 537 0.584 -16.649 -1.102 695 1HB ALA 537 HB1 ALA 537 -0.372 -15.907 -3.811 696 2HB ALA 537 HB2 ALA 537 -1.342 -15.395 -2.429 697 3HB ALA 537 HB3 ALA 537 -0.997 -17.106 -2.678 698 H ASP 538 HN ASP 538 1.040 -18.020 -3.380 699 HA ASP 538 HA ASP 538 3.846 -17.868 -3.663 700 1HB ASP 538 HB2 ASP 538 3.490 -19.549 -5.503 701 2HB ASP 538 HB1 ASP 538 2.779 -19.992 -3.954 702 H ASP 539 HN ASP 539 1.432 -15.971 -5.031 703 HA ASP 539 HA ASP 539 3.309 -14.912 -6.995 704 1HB ASP 539 HB2 ASP 539 0.823 -16.339 -7.595 705 2HB ASP 539 HB1 ASP 539 0.984 -14.791 -8.411 706 H VAL 540 HN VAL 540 1.880 -14.090 -4.408 707 HA VAL 540 HA VAL 540 1.191 -12.132 -3.491 708 HB VAL 540 HB VAL 540 1.622 -11.018 -6.256 709 1HG1 VAL 540 HG11 VAL 540 1.895 -9.191 -3.978 710 2HG1 VAL 540 HG12 VAL 540 0.254 -9.763 -4.240 711 3HG1 VAL 540 HG13 VAL 540 1.118 -8.946 -5.537 712 1HG2 VAL 540 HG21 VAL 540 3.749 -11.519 -5.780 713 2HG2 VAL 540 HG22 VAL 540 3.435 -11.667 -4.050 714 3HG2 VAL 540 HG23 VAL 540 3.662 -10.076 -4.774 715 H SER 541 HN SER 541 -0.695 -11.073 -3.141 716 HA SER 541 HA SER 541 -3.041 -12.016 -4.497 717 1HB SER 541 HB2 SER 541 -2.802 -11.554 -1.957 718 2HB SER 541 HB1 SER 541 -2.933 -9.846 -2.388 719 HG SER 541 HG SER 541 -4.966 -10.279 -3.287 720 H GLU 542 HN GLU 542 -2.404 -11.211 -6.510 721 HA GLU 542 HA GLU 542 -1.633 -8.741 -7.261 722 1HB GLU 542 HB2 GLU 542 -1.770 -10.736 -8.647 723 2HB GLU 542 HB1 GLU 542 -3.514 -10.539 -8.752 724 1HG GLU 542 HG2 GLU 542 -2.957 -8.197 -9.700 725 2HG GLU 542 HG1 GLU 542 -1.355 -8.876 -9.979 726 H GLN 543 HN GLN 543 -4.879 -9.547 -6.225 727 HA GLN 543 HA GLN 543 -6.095 -7.258 -7.456 728 1HB GLN 543 HB2 GLN 543 -7.318 -9.335 -6.650 729 2HB GLN 543 HB1 GLN 543 -7.087 -8.738 -5.013 730 1HG GLN 543 HG2 GLN 543 -8.718 -7.222 -5.201 731 2HG GLN 543 HG1 GLN 543 -8.259 -6.785 -6.847 732 1HE2 GLN 543 HE21 GLN 543 -10.762 -6.766 -6.723 733 2HE2 GLN 543 HE22 GLN 543 -11.530 -8.214 -7.270 734 H GLU 544 HN GLU 544 -5.024 -8.043 -4.170 735 HA GLU 544 HA GLU 544 -5.423 -5.385 -3.186 736 1HB GLU 544 HB2 GLU 544 -3.526 -7.233 -1.819 737 2HB GLU 544 HB1 GLU 544 -4.746 -6.171 -1.132 738 1HG GLU 544 HG2 GLU 544 -6.180 -8.083 -2.560 739 2HG GLU 544 HG1 GLU 544 -4.885 -8.973 -1.762 740 H LEU 545 HN LEU 545 -2.793 -7.234 -4.549 741 HA LEU 545 HA LEU 545 -0.631 -5.697 -3.853 742 1HB LEU 545 HB2 LEU 545 -0.263 -7.755 -4.911 743 2HB LEU 545 HB1 LEU 545 -1.240 -7.309 -6.290 744 HG LEU 545 HG LEU 545 0.611 -5.504 -6.684 745 1HD1 LEU 545 HD11 LEU 545 2.799 -6.933 -5.958 746 2HD1 LEU 545 HD12 LEU 545 1.747 -7.178 -4.565 747 3HD1 LEU 545 HD13 LEU 545 2.169 -5.543 -5.076 748 1HD2 LEU 545 HD21 LEU 545 0.507 -8.378 -7.360 749 2HD2 LEU 545 HD22 LEU 545 2.018 -7.537 -7.707 750 3HD2 LEU 545 HD23 LEU 545 0.507 -6.961 -8.410 751 H GLU 546 HN GLU 546 -2.622 -5.380 -6.763 752 HA GLU 546 HA GLU 546 -1.299 -2.997 -7.610 753 1HB GLU 546 HB2 GLU 546 -3.504 -4.695 -8.561 754 2HB GLU 546 HB1 GLU 546 -3.704 -2.989 -8.933 755 1HG GLU 546 HG2 GLU 546 -1.824 -2.923 -10.274 756 2HG GLU 546 HG1 GLU 546 -1.116 -4.354 -9.526 757 H ASP 547 HN ASP 547 -3.892 -3.749 -5.470 758 HA ASP 547 HA ASP 547 -5.246 -1.260 -5.577 759 1HB ASP 547 HB2 ASP 547 -5.175 -3.514 -3.591 760 2HB ASP 547 HB1 ASP 547 -6.056 -2.031 -3.244 761 H TYR 548 HN TYR 548 -2.860 -2.579 -3.288 762 HA TYR 548 HA TYR 548 -2.755 -0.103 -1.920 763 1HB TYR 548 HB2 TYR 548 -0.814 -1.090 -0.681 764 2HB TYR 548 HB1 TYR 548 -2.349 -1.926 -0.559 765 HD1 TYR 548 HD1 TYR 548 -1.623 -4.026 0.102 766 HD2 TYR 548 HD2 TYR 548 0.086 -2.261 -3.351 767 HE1 TYR 548 HE1 TYR 548 -0.497 -6.122 -0.401 768 HE2 TYR 548 HE2 TYR 548 1.205 -4.349 -3.872 769 HH TYR 548 HH TYR 548 0.429 -7.206 -2.737 770 H ILE 549 HN ILE 549 -0.999 -1.285 -4.715 771 HA ILE 549 HA ILE 549 1.236 0.480 -4.429 772 HB ILE 549 HB ILE 549 0.131 0.016 -7.170 773 1HG1 ILE 549 HG12 ILE 549 -0.076 -2.176 -6.070 774 2HG1 ILE 549 HG11 ILE 549 1.138 -2.178 -7.337 775 1HG2 ILE 549 HG21 ILE 549 2.064 1.181 -7.359 776 2HG2 ILE 549 HG22 ILE 549 2.736 -0.449 -7.366 777 3HG2 ILE 549 HG23 ILE 549 2.754 0.506 -5.884 778 1HD1 ILE 549 HD11 ILE 549 1.641 -2.044 -4.381 779 2HD1 ILE 549 HD12 ILE 549 2.887 -1.942 -5.627 780 3HD1 ILE 549 HD13 ILE 549 1.928 -3.416 -5.446 781 H ARG 550 HN ARG 550 -1.840 0.729 -6.176 782 HA ARG 550 HA ARG 550 -1.606 3.351 -7.074 783 1HB ARG 550 HB2 ARG 550 -3.444 1.450 -7.425 784 2HB ARG 550 HB1 ARG 550 -4.279 2.375 -6.188 785 1HG ARG 550 HG2 ARG 550 -4.464 4.255 -7.541 786 2HG ARG 550 HG1 ARG 550 -3.172 3.722 -8.618 787 1HD ARG 550 HD2 ARG 550 -5.870 2.403 -8.352 788 2HD ARG 550 HD1 ARG 550 -5.408 3.519 -9.633 789 HE ARG 550 HE ARG 550 -3.894 1.886 -10.465 790 1HH1 ARG 550 HH11 ARG 550 -5.930 0.710 -7.875 791 2HH1 ARG 550 HH12 ARG 550 -5.681 -0.954 -8.277 792 1HH2 ARG 550 HH21 ARG 550 -3.570 -0.301 -10.980 793 2HH2 ARG 550 HH22 ARG 550 -4.346 -1.527 -10.036 794 H HIS 551 HN HIS 551 -2.551 2.060 -3.963 795 HA HIS 551 HA HIS 551 -3.633 4.388 -2.823 796 1HB HIS 551 HB2 HIS 551 -2.683 1.785 -1.882 797 2HB HIS 551 HB1 HIS 551 -2.500 3.072 -0.700 798 HD1 HIS 551 HD1 HIS 551 -4.631 3.996 0.377 799 HD2 HIS 551 HD2 HIS 551 -5.365 1.164 -2.570 800 HE1 HIS 551 HE1 HIS 551 -7.065 3.415 0.596 801 HE2 HIS 551 HE2 HIS 551 -7.504 1.754 -1.245 802 H VAL 552 HN VAL 552 -0.328 3.225 -3.092 803 HA VAL 552 HA VAL 552 0.769 5.303 -1.441 804 HB VAL 552 HB VAL 552 2.219 3.462 -3.343 805 1HG1 VAL 552 HG11 VAL 552 4.188 3.982 -2.108 806 2HG1 VAL 552 HG12 VAL 552 3.269 4.883 -0.903 807 3HG1 VAL 552 HG13 VAL 552 3.427 5.511 -2.543 808 1HG2 VAL 552 HG21 VAL 552 2.708 2.410 -0.929 809 2HG2 VAL 552 HG22 VAL 552 1.369 1.890 -1.952 810 3HG2 VAL 552 HG23 VAL 552 1.085 3.040 -0.646 811 H LEU 553 HN LEU 553 0.169 4.859 -4.853 812 HA LEU 553 HA LEU 553 1.939 6.606 -6.009 813 1HB LEU 553 HB2 LEU 553 0.671 6.464 -7.890 814 2HB LEU 553 HB1 LEU 553 0.000 5.118 -6.992 815 HG LEU 553 HG LEU 553 -1.734 6.928 -6.177 816 1HD1 LEU 553 HD11 LEU 553 -1.967 8.818 -7.383 817 2HD1 LEU 553 HD12 LEU 553 -1.441 8.054 -8.883 818 3HD1 LEU 553 HD13 LEU 553 -0.248 8.576 -7.695 819 1HD2 LEU 553 HD21 LEU 553 -1.669 4.967 -8.211 820 2HD2 LEU 553 HD22 LEU 553 -2.550 6.356 -8.844 821 3HD2 LEU 553 HD23 LEU 553 -3.066 5.596 -7.339 822 H ASN 554 HN ASN 554 -1.102 7.435 -4.375 823 HA ASN 554 HA ASN 554 -0.234 9.983 -3.625 824 1HB ASN 554 HB2 ASN 554 -0.734 10.023 -6.293 825 2HB ASN 554 HB1 ASN 554 -2.317 10.469 -5.662 826 1HD2 ASN 554 HD21 ASN 554 1.016 11.380 -5.964 827 2HD2 ASN 554 HD22 ASN 554 0.824 13.022 -5.464 828 H ARG 555 HN ARG 555 -2.570 11.446 -3.582 829 HA ARG 555 HA ARG 555 -3.893 10.581 -1.357 830 1HB ARG 555 HB2 ARG 555 -5.805 12.054 -2.144 831 2HB ARG 555 HB1 ARG 555 -4.225 12.818 -2.047 832 1HG ARG 555 HG2 ARG 555 -4.127 12.087 -4.590 833 2HG ARG 555 HG1 ARG 555 -5.881 12.167 -4.417 834 1HD ARG 555 HD2 ARG 555 -5.291 14.473 -3.259 835 2HD ARG 555 HD1 ARG 555 -3.850 14.332 -4.265 836 HE ARG 555 HE ARG 555 -5.840 13.866 -6.018 837 1HH1 ARG 555 HH11 ARG 555 -5.303 16.408 -3.687 838 2HH1 ARG 555 HH12 ARG 555 -6.144 17.605 -4.613 839 1HH2 ARG 555 HH21 ARG 555 -6.945 15.439 -7.237 840 2HH2 ARG 555 HH22 ARG 555 -7.077 17.056 -6.628 841 HA PRO 556 HA PRO 556 -6.606 7.270 -2.314 842 1HB PRO 556 HB2 PRO 556 -8.907 8.005 -1.009 843 2HB PRO 556 HB1 PRO 556 -7.490 7.315 -0.213 844 1HG PRO 556 HG2 PRO 556 -8.322 10.177 -0.452 845 2HG PRO 556 HG1 PRO 556 -7.651 9.318 0.947 846 1HD PRO 556 HD2 PRO 556 -6.139 10.931 -0.576 847 2HD PRO 556 HD1 PRO 556 -5.484 9.448 0.146 848 H LYS 557 HN LYS 557 -9.267 7.110 -2.710 849 HA LYS 557 HA LYS 557 -11.007 7.462 -4.119 850 1HB LYS 557 HB2 LYS 557 -9.644 10.107 -4.373 851 2HB LYS 557 HB1 LYS 557 -10.899 9.681 -5.526 852 1HG LYS 557 HG2 LYS 557 -12.202 10.685 -3.985 853 2HG LYS 557 HG1 LYS 557 -12.186 9.069 -3.276 854 1HD LYS 557 HD2 LYS 557 -11.348 9.948 -1.414 855 2HD LYS 557 HD1 LYS 557 -9.887 10.366 -2.311 856 1HE LYS 557 HE2 LYS 557 -10.495 12.427 -1.510 857 2HE LYS 557 HE1 LYS 557 -11.322 12.428 -3.068 858 1HZ LYS 557 HZ1 LYS 557 -12.588 13.099 -0.920 859 2HZ LYS 557 HZ2 LYS 557 -12.734 11.429 -0.692 860 3HZ LYS 557 HZ3 LYS 557 -13.360 12.149 -2.088 861 H TRP 558 HN TRP 558 -7.900 8.404 -5.635 862 HA TRP 558 HA TRP 558 -8.648 7.588 -8.242 863 1HB TRP 558 HB2 TRP 558 -6.020 8.140 -6.877 864 2HB TRP 558 HB1 TRP 558 -6.078 7.549 -8.532 865 HD1 TRP 558 HD1 TRP 558 -5.468 9.546 -9.951 866 HE1 TRP 558 HE1 TRP 558 -6.269 11.984 -10.189 867 HE3 TRP 558 HE3 TRP 558 -8.674 9.718 -6.012 868 HZ2 TRP 558 HZ2 TRP 558 -8.041 13.740 -8.852 869 HZ3 TRP 558 HZ3 TRP 558 -9.878 11.767 -5.539 870 HH2 TRP 558 HH2 TRP 558 -9.576 13.763 -6.928 871 H LEU 559 HN LEU 559 -7.024 6.100 -5.563 872 HA LEU 559 HA LEU 559 -6.409 3.657 -6.898 873 1HB LEU 559 HB2 LEU 559 -6.149 2.945 -4.341 874 2HB LEU 559 HB1 LEU 559 -4.923 3.846 -5.202 875 HG LEU 559 HG LEU 559 -5.392 4.643 -2.883 876 1HD1 LEU 559 HD11 LEU 559 -5.009 6.167 -5.244 877 2HD1 LEU 559 HD12 LEU 559 -4.484 6.524 -3.599 878 3HD1 LEU 559 HD13 LEU 559 -6.057 7.091 -4.161 879 1HD2 LEU 559 HD21 LEU 559 -7.374 5.492 -2.194 880 2HD2 LEU 559 HD22 LEU 559 -7.970 4.316 -3.359 881 3HD2 LEU 559 HD23 LEU 559 -7.849 6.018 -3.807 882 H MET 560 HN MET 560 -9.020 4.888 -4.949 883 HA MET 560 HA MET 560 -10.277 2.370 -4.485 884 1HB MET 560 HB2 MET 560 -11.008 5.237 -4.089 885 2HB MET 560 HB1 MET 560 -12.297 4.041 -4.090 886 1HG MET 560 HG2 MET 560 -9.874 3.946 -2.308 887 2HG MET 560 HG1 MET 560 -11.448 4.587 -1.838 888 1HE MET 560 HE1 MET 560 -9.275 1.848 -2.835 889 2HE MET 560 HE2 MET 560 -10.157 0.334 -2.633 890 3HE MET 560 HE3 MET 560 -9.487 1.157 -1.225 891 H LEU 561 HN LEU 561 -10.512 4.910 -6.895 892 HA LEU 561 HA LEU 561 -12.844 3.903 -8.138 893 1HB LEU 561 HB2 LEU 561 -11.015 6.089 -8.554 894 2HB LEU 561 HB1 LEU 561 -11.407 5.319 -10.083 895 HG LEU 561 HG LEU 561 -13.451 6.286 -8.102 896 1HD1 LEU 561 HD11 LEU 561 -13.858 8.074 -9.812 897 2HD1 LEU 561 HD12 LEU 561 -12.333 7.598 -10.562 898 3HD1 LEU 561 HD13 LEU 561 -12.348 8.222 -8.911 899 1HD2 LEU 561 HD21 LEU 561 -13.939 4.382 -9.780 900 2HD2 LEU 561 HD22 LEU 561 -13.938 5.672 -10.984 901 3HD2 LEU 561 HD23 LEU 561 -15.087 5.720 -9.645 902 H LYS 562 HN LYS 562 -9.390 3.386 -8.731 903 HA LYS 562 HA LYS 562 -9.746 1.891 -11.115 904 1HB LYS 562 HB2 LYS 562 -7.561 2.851 -9.989 905 2HB LYS 562 HB1 LYS 562 -7.523 1.282 -9.195 906 1HG LYS 562 HG2 LYS 562 -7.707 1.595 -12.177 907 2HG LYS 562 HG1 LYS 562 -6.174 1.494 -11.310 908 1HD LYS 562 HD2 LYS 562 -6.361 -0.719 -11.016 909 2HD LYS 562 HD1 LYS 562 -8.064 -0.606 -10.571 910 1HE LYS 562 HE2 LYS 562 -7.437 -0.110 -13.409 911 2HE LYS 562 HE1 LYS 562 -7.172 -1.758 -12.842 912 1HZ LYS 562 HZ1 LYS 562 -9.540 -0.753 -13.664 913 2HZ LYS 562 HZ2 LYS 562 -9.676 -0.631 -11.984 914 3HZ LYS 562 HZ3 LYS 562 -9.352 -2.129 -12.698 915 H VAL 563 HN VAL 563 -9.660 1.112 -7.704 916 HA VAL 563 HA VAL 563 -9.881 -1.712 -7.962 917 HB VAL 563 HB VAL 563 -10.450 0.221 -5.718 918 1HG1 VAL 563 HG11 VAL 563 -11.098 -2.697 -5.841 919 2HG1 VAL 563 HG12 VAL 563 -12.062 -1.362 -5.212 920 3HG1 VAL 563 HG13 VAL 563 -10.657 -1.936 -4.312 921 1HG2 VAL 563 HG21 VAL 563 -8.286 -1.683 -6.435 922 2HG2 VAL 563 HG22 VAL 563 -8.628 -1.423 -4.724 923 3HG2 VAL 563 HG23 VAL 563 -8.188 -0.061 -5.753 924 H LYS 564 HN LYS 564 -12.114 0.964 -7.685 925 HA LYS 564 HA LYS 564 -14.486 -0.619 -7.596 926 1HB LYS 564 HB2 LYS 564 -13.944 2.292 -8.153 927 2HB LYS 564 HB1 LYS 564 -15.559 1.615 -8.293 928 1HG LYS 564 HG2 LYS 564 -13.937 1.340 -5.785 929 2HG LYS 564 HG1 LYS 564 -14.947 2.752 -6.103 930 1HD LYS 564 HD2 LYS 564 -16.781 1.646 -5.498 931 2HD LYS 564 HD1 LYS 564 -16.420 0.335 -6.623 932 1HE LYS 564 HE2 LYS 564 -16.319 -0.844 -4.683 933 2HE LYS 564 HE1 LYS 564 -14.652 -0.271 -4.729 934 1HZ LYS 564 HZ1 LYS 564 -15.186 0.371 -2.644 935 2HZ LYS 564 HZ2 LYS 564 -16.838 0.514 -2.970 936 3HZ LYS 564 HZ3 LYS 564 -15.776 1.739 -3.446 937 H GLU 565 HN GLU 565 -12.333 0.451 -10.051 938 HA GLU 565 HA GLU 565 -14.054 0.412 -12.285 939 1HB GLU 565 HB2 GLU 565 -11.286 0.781 -11.810 940 2HB GLU 565 HB1 GLU 565 -11.435 -0.532 -12.976 941 1HG GLU 565 HG2 GLU 565 -13.198 1.627 -13.673 942 2HG GLU 565 HG1 GLU 565 -11.553 2.223 -13.462 943 H GLN 566 HN GLN 566 -12.021 -2.018 -10.743 944 HA GLN 566 HA GLN 566 -12.657 -4.039 -12.632 945 1HB GLN 566 HB2 GLN 566 -11.485 -4.206 -9.849 946 2HB GLN 566 HB1 GLN 566 -11.640 -5.585 -10.931 947 1HG GLN 566 HG2 GLN 566 -10.313 -4.060 -12.585 948 2HG GLN 566 HG1 GLN 566 -9.829 -3.229 -11.108 949 1HE2 GLN 566 HE21 GLN 566 -8.024 -3.924 -10.239 950 2HE2 GLN 566 HE22 GLN 566 -7.362 -5.513 -10.386 951 H GLU 567 HN GLU 567 -14.017 -3.114 -9.489 952 HA GLU 567 HA GLU 567 -15.739 -5.378 -9.290 953 1HB GLU 567 HB2 GLU 567 -15.868 -2.710 -7.865 954 2HB GLU 567 HB1 GLU 567 -16.757 -4.161 -7.420 955 1HG GLU 567 HG2 GLU 567 -14.146 -5.019 -7.460 956 2HG GLU 567 HG1 GLU 567 -14.024 -3.382 -6.814 957 H LYS 568 HN LYS 568 -15.902 -2.087 -10.423 958 HA LYS 568 HA LYS 568 -18.680 -2.126 -10.927 959 1HB LYS 568 HB2 LYS 568 -18.446 0.034 -11.816 960 2HB LYS 568 HB1 LYS 568 -17.267 -0.066 -10.523 961 1HG LYS 568 HG2 LYS 568 -16.005 0.917 -12.140 962 2HG LYS 568 HG1 LYS 568 -15.668 -0.774 -12.483 963 1HD LYS 568 HD2 LYS 568 -16.993 -0.794 -14.379 964 2HD LYS 568 HD1 LYS 568 -17.970 0.567 -13.828 965 1HE LYS 568 HE2 LYS 568 -16.325 2.127 -14.399 966 2HE LYS 568 HE1 LYS 568 -15.064 0.898 -14.489 967 1HZ LYS 568 HZ1 LYS 568 -15.741 0.220 -16.549 968 2HZ LYS 568 HZ2 LYS 568 -16.124 1.864 -16.645 969 3HZ LYS 568 HZ3 LYS 568 -17.341 0.731 -16.333 970 H THR 569 HN THR 569 -15.800 -2.571 -12.870 971 HA THR 569 HA THR 569 -17.056 -2.733 -15.362 972 HB THR 569 HB THR 569 -14.479 -3.793 -14.256 973 HG1 THR 569 HG1 THR 569 -15.080 -1.779 -16.156 974 1HG2 THR 569 HG21 THR 569 -15.686 -4.689 -16.691 975 2HG2 THR 569 HG22 THR 569 -14.163 -5.169 -15.940 976 3HG2 THR 569 HG23 THR 569 -14.212 -3.780 -17.025 977 H GLU 570 HN GLU 570 -15.943 -5.315 -13.164 978 HA GLU 570 HA GLU 570 -16.820 -7.531 -14.554 979 1HB GLU 570 HB2 GLU 570 -16.361 -6.923 -11.677 980 2HB GLU 570 HB1 GLU 570 -17.259 -8.387 -12.054 981 1HG GLU 570 HG2 GLU 570 -14.944 -8.225 -13.726 982 2HG GLU 570 HG1 GLU 570 -14.479 -8.014 -12.039 983 H ALA 571 HN ALA 571 -18.601 -5.733 -12.050 984 HA ALA 571 HA ALA 571 -21.021 -7.147 -12.425 985 1HB ALA 571 HB1 ALA 571 -21.701 -4.619 -11.429 986 2HB ALA 571 HB2 ALA 571 -20.111 -4.996 -10.752 987 3HB ALA 571 HB3 ALA 571 -21.456 -6.108 -10.515 988 H GLU 572 HN GLU 572 -19.552 -4.408 -14.040 989 HA GLU 572 HA GLU 572 -21.810 -3.265 -15.205 990 1HB GLU 572 HB2 GLU 572 -19.017 -3.051 -15.518 991 2HB GLU 572 HB1 GLU 572 -19.659 -3.374 -17.121 992 1HG GLU 572 HG2 GLU 572 -21.146 -1.357 -15.614 993 2HG GLU 572 HG1 GLU 572 -19.477 -0.922 -15.974 994 H ARG 573 HN ARG 573 -19.831 -5.972 -16.376 995 HA ARG 573 HA ARG 573 -21.472 -6.420 -18.676 996 1HB ARG 573 HB2 ARG 573 -20.073 -8.435 -18.992 997 2HB ARG 573 HB1 ARG 573 -19.134 -6.962 -18.791 998 1HG ARG 573 HG2 ARG 573 -18.628 -7.549 -16.506 999 2HG ARG 573 HG1 ARG 573 -19.664 -8.973 -16.613 1000 1HD ARG 573 HD2 ARG 573 -17.772 -9.005 -18.761 1001 2HD ARG 573 HD1 ARG 573 -16.922 -8.761 -17.236 1002 HE ARG 573 HE ARG 573 -18.292 -11.138 -18.103 1003 1HH1 ARG 573 HH11 ARG 573 -17.124 -9.346 -15.346 1004 2HH1 ARG 573 HH12 ARG 573 -17.019 -10.742 -14.325 1005 1HH2 ARG 573 HH21 ARG 573 -18.157 -12.974 -16.762 1006 2HH2 ARG 573 HH22 ARG 573 -17.605 -12.801 -15.130 1007 H ARG 574 HN ARG 574 -21.091 -8.122 -15.561 1008 HA ARG 574 HA ARG 574 -23.215 -9.971 -16.317 1009 1HB ARG 574 HB2 ARG 574 -21.141 -10.798 -15.245 1010 2HB ARG 574 HB1 ARG 574 -21.557 -9.892 -13.796 1011 1HG ARG 574 HG2 ARG 574 -23.804 -11.291 -14.040 1012 2HG ARG 574 HG1 ARG 574 -22.707 -12.401 -14.865 1013 1HD ARG 574 HD2 ARG 574 -22.110 -13.158 -12.861 1014 2HD ARG 574 HD1 ARG 574 -21.329 -11.604 -12.581 1015 HE ARG 574 HE ARG 574 -24.091 -11.459 -11.971 1016 1HH1 ARG 574 HH11 ARG 574 -21.069 -12.703 -10.745 1017 2HH1 ARG 574 HH12 ARG 574 -21.570 -12.636 -9.089 1018 1HH2 ARG 574 HH21 ARG 574 -24.751 -11.370 -9.793 1019 2HH2 ARG 574 HH22 ARG 574 -23.660 -11.881 -8.548 1020 H LYS 575 HN LYS 575 -22.764 -7.224 -14.217 1021 HA LYS 575 HA LYS 575 -24.307 -5.957 -13.102 1022 1HB LYS 575 HB2 LYS 575 -26.426 -7.978 -13.817 1023 2HB LYS 575 HB1 LYS 575 -26.644 -6.295 -13.366 1024 1HG LYS 575 HG2 LYS 575 -26.569 -5.691 -15.489 1025 2HG LYS 575 HG1 LYS 575 -24.956 -6.389 -15.649 1026 1HD LYS 575 HD2 LYS 575 -25.761 -8.392 -16.471 1027 2HD LYS 575 HD1 LYS 575 -27.349 -8.176 -15.731 1028 1HE LYS 575 HE2 LYS 575 -28.098 -6.807 -17.413 1029 2HE LYS 575 HE1 LYS 575 -26.477 -6.253 -17.830 1030 1HZ LYS 575 HZ1 LYS 575 -26.029 -8.382 -18.846 1031 2HZ LYS 575 HZ2 LYS 575 -27.421 -7.708 -19.530 1032 3HZ LYS 575 HZ3 LYS 575 -27.555 -8.962 -18.402 1033 H ASP 576 HN ASP 576 -24.700 -5.857 -10.964 1034 HA ASP 576 HA ASP 576 -24.538 -8.386 -9.482 1035 1HB ASP 576 HB2 ASP 576 -22.954 -6.238 -9.211 1036 2HB ASP 576 HB1 ASP 576 -24.220 -5.795 -8.070 1037 H PHE 577 HN PHE 577 -26.138 -9.067 -8.225 1038 HA PHE 577 HA PHE 577 -28.144 -9.211 -7.183 1039 1HB PHE 577 HB2 PHE 577 -27.308 -6.410 -6.702 1040 2HB PHE 577 HB1 PHE 577 -29.004 -6.782 -6.406 1041 HD1 PHE 577 HD1 PHE 577 -26.329 -6.169 -4.626 1042 HD2 PHE 577 HD2 PHE 577 -28.887 -9.492 -5.346 1043 HE1 PHE 577 HE1 PHE 577 -25.735 -7.098 -2.426 1044 HE2 PHE 577 HE2 PHE 577 -28.298 -10.427 -3.147 1045 HZ PHE 577 HZ PHE 577 -26.720 -9.228 -1.684 1046 H LEU 578 HN LEU 578 -28.740 -5.977 -8.507 1047 HA LEU 578 HA LEU 578 -31.073 -7.069 -9.887 1048 1HB LEU 578 HB2 LEU 578 -30.621 -4.732 -8.403 1049 2HB LEU 578 HB1 LEU 578 -30.834 -4.201 -10.061 1050 HG LEU 578 HG LEU 578 -32.816 -6.133 -8.970 1051 1HD1 LEU 578 HD11 LEU 578 -33.873 -4.715 -7.563 1052 2HD1 LEU 578 HD12 LEU 578 -33.367 -3.279 -8.453 1053 3HD1 LEU 578 HD13 LEU 578 -32.240 -4.081 -7.357 1054 1HD2 LEU 578 HD21 LEU 578 -33.217 -3.663 -10.635 1055 2HD2 LEU 578 HD22 LEU 578 -34.289 -5.053 -10.462 1056 3HD2 LEU 578 HD23 LEU 578 -32.763 -5.219 -11.330 1057 H THR 579 HN THR 579 -28.980 -4.311 -10.725 1058 HA THR 579 HA THR 579 -28.342 -5.551 -13.280 1059 HB THR 579 HB THR 579 -30.397 -4.487 -13.844 1060 HG1 THR 579 HG1 THR 579 -28.628 -2.483 -14.666 1061 1HG2 THR 579 HG21 THR 579 -29.561 -1.762 -13.072 1062 2HG2 THR 579 HG22 THR 579 -30.110 -2.835 -11.786 1063 3HG2 THR 579 HG23 THR 579 -31.168 -2.483 -13.151 1064 H ALA 580 HN ALA 580 -27.120 -3.693 -14.639 1065 HA ALA 580 HA ALA 580 -24.688 -3.238 -13.318 1066 1HB ALA 580 HB1 ALA 580 -23.920 -2.589 -15.333 1067 2HB ALA 580 HB2 ALA 580 -25.287 -1.514 -15.628 1068 3HB ALA 580 HB3 ALA 580 -25.455 -3.249 -15.899 1069 H ALA 581 HN ALA 581 -27.585 -1.548 -13.010 1070 HA ALA 581 HA ALA 581 -26.933 1.112 -12.898 1071 1HB ALA 581 HB1 ALA 581 -29.149 0.864 -12.535 1072 2HB ALA 581 HB2 ALA 581 -28.652 0.997 -10.847 1073 3HB ALA 581 HB3 ALA 581 -28.941 -0.592 -11.560 1074 H ARG 582 HN ARG 582 -26.064 -1.414 -10.627 1075 HA ARG 582 HA ARG 582 -25.331 0.284 -8.474 1076 1HB ARG 582 HB2 ARG 582 -25.220 -2.530 -9.092 1077 2HB ARG 582 HB1 ARG 582 -23.689 -2.012 -8.401 1078 1HG ARG 582 HG2 ARG 582 -26.419 -1.703 -7.173 1079 2HG ARG 582 HG1 ARG 582 -25.131 -2.790 -6.650 1080 1HD ARG 582 HD2 ARG 582 -23.794 -0.487 -6.534 1081 2HD ARG 582 HD1 ARG 582 -25.424 0.137 -6.281 1082 HE ARG 582 HE ARG 582 -25.124 -2.014 -4.566 1083 1HH1 ARG 582 HH11 ARG 582 -23.639 1.108 -5.047 1084 2HH1 ARG 582 HH12 ARG 582 -23.220 1.304 -3.379 1085 1HH2 ARG 582 HH21 ARG 582 -24.572 -1.758 -2.372 1086 2HH2 ARG 582 HH22 ARG 582 -23.749 -0.323 -1.861 1087 H ILE 583 HN ILE 583 -23.750 -0.810 -11.371 1088 HA ILE 583 HA ILE 583 -21.110 -0.015 -10.682 1089 HB ILE 583 HB ILE 583 -22.377 -0.478 -13.382 1090 1HG1 ILE 583 HG12 ILE 583 -22.453 -2.510 -12.155 1091 2HG1 ILE 583 HG11 ILE 583 -21.067 -2.643 -13.228 1092 1HG2 ILE 583 HG21 ILE 583 -19.966 0.783 -12.862 1093 2HG2 ILE 583 HG22 ILE 583 -20.477 0.068 -14.389 1094 3HG2 ILE 583 HG23 ILE 583 -19.518 -0.872 -13.251 1095 1HD1 ILE 583 HD11 ILE 583 -21.180 -2.860 -10.378 1096 2HD1 ILE 583 HD12 ILE 583 -20.085 -1.559 -10.835 1097 3HD1 ILE 583 HD13 ILE 583 -19.832 -3.185 -11.469 1098 H ALA 584 HN ALA 584 -23.640 1.476 -12.702 1099 HA ALA 584 HA ALA 584 -22.217 3.749 -13.468 1100 1HB ALA 584 HB1 ALA 584 -24.637 4.764 -13.531 1101 2HB ALA 584 HB2 ALA 584 -25.114 3.094 -13.227 1102 3HB ALA 584 HB3 ALA 584 -24.163 3.494 -14.658 1103 H LYS 585 HN LYS 585 -24.218 3.166 -10.617 1104 HA LYS 585 HA LYS 585 -23.994 5.801 -9.577 1105 1HB LYS 585 HB2 LYS 585 -25.080 3.212 -8.680 1106 2HB LYS 585 HB1 LYS 585 -24.532 4.272 -7.388 1107 1HG LYS 585 HG2 LYS 585 -26.266 5.433 -9.498 1108 2HG LYS 585 HG1 LYS 585 -27.002 4.354 -8.310 1109 1HD LYS 585 HD2 LYS 585 -25.227 6.598 -7.427 1110 2HD LYS 585 HD1 LYS 585 -26.916 6.903 -7.832 1111 1HE LYS 585 HE2 LYS 585 -26.228 4.676 -5.968 1112 2HE LYS 585 HE1 LYS 585 -26.220 6.335 -5.374 1113 1HZ LYS 585 HZ1 LYS 585 -28.449 6.488 -5.510 1114 2HZ LYS 585 HZ2 LYS 585 -28.384 4.803 -5.391 1115 3HZ LYS 585 HZ3 LYS 585 -28.558 5.537 -6.905 1116 H GLU 586 HN GLU 586 -22.147 2.839 -9.202 1117 HA GLU 586 HA GLU 586 -20.622 3.477 -6.975 1118 1HB GLU 586 HB2 GLU 586 -20.263 1.698 -9.328 1119 2HB GLU 586 HB1 GLU 586 -18.837 2.045 -8.359 1120 1HG GLU 586 HG2 GLU 586 -21.403 1.028 -7.177 1121 2HG GLU 586 HG1 GLU 586 -20.122 -0.035 -7.757 1122 H MET 587 HN MET 587 -19.797 4.081 -10.406 1123 HA MET 587 HA MET 587 -17.384 5.479 -9.807 1124 1HB MET 587 HB2 MET 587 -18.927 4.801 -12.186 1125 2HB MET 587 HB1 MET 587 -18.297 6.436 -12.280 1126 1HG MET 587 HG2 MET 587 -16.845 4.672 -13.280 1127 2HG MET 587 HG1 MET 587 -16.064 5.693 -12.076 1128 1HE MET 587 HE1 MET 587 -18.669 3.111 -11.429 1129 2HE MET 587 HE2 MET 587 -17.863 1.795 -10.591 1130 3HE MET 587 HE3 MET 587 -17.789 1.893 -12.352 1131 H ILE 588 HN ILE 588 -20.617 6.607 -10.786 1132 HA ILE 588 HA ILE 588 -20.177 9.331 -10.685 1133 HB ILE 588 HB ILE 588 -22.521 7.570 -10.493 1134 1HG1 ILE 588 HG12 ILE 588 -23.442 9.477 -11.942 1135 2HG1 ILE 588 HG11 ILE 588 -21.817 10.153 -11.867 1136 1HG2 ILE 588 HG21 ILE 588 -22.983 8.750 -8.467 1137 2HG2 ILE 588 HG22 ILE 588 -24.046 9.376 -9.727 1138 3HG2 ILE 588 HG23 ILE 588 -22.627 10.299 -9.229 1139 1HD1 ILE 588 HD11 ILE 588 -22.690 7.558 -13.090 1140 2HD1 ILE 588 HD12 ILE 588 -20.999 7.945 -12.771 1141 3HD1 ILE 588 HD13 ILE 588 -21.939 8.946 -13.877 1142 H GLU 589 HN GLU 589 -20.526 6.994 -8.137 1143 HA GLU 589 HA GLU 589 -20.855 8.880 -6.005 1144 1HB GLU 589 HB2 GLU 589 -20.370 5.947 -6.231 1145 2HB GLU 589 HB1 GLU 589 -19.916 6.726 -4.721 1146 1HG GLU 589 HG2 GLU 589 -22.645 6.993 -5.943 1147 2HG GLU 589 HG1 GLU 589 -22.217 5.715 -4.806 1148 H MET 590 HN MET 590 -18.222 7.075 -7.475 1149 HA MET 590 HA MET 590 -16.169 7.933 -5.759 1150 1HB MET 590 HB2 MET 590 -15.998 7.198 -8.685 1151 2HB MET 590 HB1 MET 590 -14.648 7.291 -7.569 1152 1HG MET 590 HG2 MET 590 -16.888 5.300 -7.599 1153 2HG MET 590 HG1 MET 590 -15.172 5.004 -7.824 1154 1HE MET 590 HE1 MET 590 -17.619 5.189 -4.085 1155 2HE MET 590 HE2 MET 590 -18.046 5.765 -5.694 1156 3HE MET 590 HE3 MET 590 -17.226 6.841 -4.563 1157 H LYS 591 HN LYS 591 -17.540 9.272 -8.716 1158 HA LYS 591 HA LYS 591 -15.743 11.358 -9.155 1159 1HB LYS 591 HB2 LYS 591 -18.209 10.517 -10.223 1160 2HB LYS 591 HB1 LYS 591 -18.454 12.184 -9.725 1161 1HG LYS 591 HG2 LYS 591 -17.458 12.866 -11.575 1162 2HG LYS 591 HG1 LYS 591 -15.966 12.090 -11.043 1163 1HD LYS 591 HD2 LYS 591 -16.146 10.700 -12.771 1164 2HD LYS 591 HD1 LYS 591 -17.590 10.022 -12.020 1165 1HE LYS 591 HE2 LYS 591 -18.313 10.640 -14.146 1166 2HE LYS 591 HE1 LYS 591 -18.835 11.978 -13.124 1167 1HZ LYS 591 HZ1 LYS 591 -16.606 11.893 -15.055 1168 2HZ LYS 591 HZ2 LYS 591 -16.616 13.029 -13.802 1169 3HZ LYS 591 HZ3 LYS 591 -17.869 13.014 -14.938 1170 H LYS 592 HN LYS 592 -18.600 11.146 -7.088 1171 HA LYS 592 HA LYS 592 -18.683 13.810 -6.224 1172 1HB LYS 592 HB2 LYS 592 -20.522 12.317 -5.756 1173 2HB LYS 592 HB1 LYS 592 -19.483 11.254 -4.819 1174 1HG LYS 592 HG2 LYS 592 -19.368 13.894 -3.726 1175 2HG LYS 592 HG1 LYS 592 -21.052 13.398 -3.904 1176 1HD LYS 592 HD2 LYS 592 -20.228 12.741 -1.724 1177 2HD LYS 592 HD1 LYS 592 -20.531 11.306 -2.703 1178 1HE LYS 592 HE2 LYS 592 -18.216 10.994 -3.118 1179 2HE LYS 592 HE1 LYS 592 -17.817 12.582 -2.466 1180 1HZ LYS 592 HZ1 LYS 592 -18.864 10.273 -0.919 1181 2HZ LYS 592 HZ2 LYS 592 -18.542 11.806 -0.280 1182 3HZ LYS 592 HZ3 LYS 592 -17.276 10.860 -0.885 1183 H MET 593 HN MET 593 -16.807 11.038 -5.143 1184 HA MET 593 HA MET 593 -15.712 12.122 -2.800 1185 1HB MET 593 HB2 MET 593 -14.212 10.292 -4.666 1186 2HB MET 593 HB1 MET 593 -14.069 10.408 -2.918 1187 1HG MET 593 HG2 MET 593 -16.378 9.528 -2.727 1188 2HG MET 593 HG1 MET 593 -16.389 9.292 -4.473 1189 1HE MET 593 HE1 MET 593 -14.398 7.496 -5.682 1190 2HE MET 593 HE2 MET 593 -13.132 6.876 -4.627 1191 3HE MET 593 HE3 MET 593 -13.327 8.615 -4.842 1192 H LEU 594 HN LEU 594 -14.683 12.330 -6.167 1193 HA LEU 594 HA LEU 594 -12.203 13.536 -5.830 1194 1HB LEU 594 HB2 LEU 594 -14.239 13.778 -8.033 1195 2HB LEU 594 HB1 LEU 594 -12.656 14.518 -8.128 1196 HG LEU 594 HG LEU 594 -13.343 11.985 -9.009 1197 1HD1 LEU 594 HD11 LEU 594 -10.641 11.853 -8.848 1198 2HD1 LEU 594 HD12 LEU 594 -10.911 13.588 -8.680 1199 3HD1 LEU 594 HD13 LEU 594 -11.531 12.731 -10.092 1200 1HD2 LEU 594 HD21 LEU 594 -13.372 11.059 -6.777 1201 2HD2 LEU 594 HD22 LEU 594 -11.779 11.734 -6.441 1202 3HD2 LEU 594 HD23 LEU 594 -11.960 10.459 -7.645 1203 H SER 595 HN SER 595 -15.383 15.093 -6.247 1204 HA SER 595 HA SER 595 -14.568 17.314 -4.622 1205 1HB SER 595 HB2 SER 595 -15.317 18.046 -7.443 1206 2HB SER 595 HB1 SER 595 -14.531 19.037 -6.214 1207 HG SER 595 HG SER 595 -12.660 17.837 -6.482 1208 H SER 596 HN SER 596 -16.913 16.572 -7.214 1209 HA SER 596 HA SER 596 -19.191 16.498 -7.212 1210 1HB SER 596 HB2 SER 596 -18.723 15.316 -4.936 1211 2HB SER 596 HB1 SER 596 -19.264 16.837 -4.228 1212 HG SER 596 HG SER 596 -20.704 15.036 -5.857 1213 H SER 597 HN SER 597 -19.652 18.382 -8.227 1214 HA SER 597 HA SER 597 -19.918 20.795 -6.562 1215 1HB SER 597 HB2 SER 597 -19.730 20.709 -9.578 1216 2HB SER 597 HB1 SER 597 -19.566 22.116 -8.528 1217 HG SER 597 HG SER 597 -17.696 20.320 -9.296 Start of MODEL 5 1 1H MET 452 HT1 MET 452 -7.727 11.787 17.079 2 2H MET 452 HT2 MET 452 -6.918 12.217 18.531 3 3H MET 452 HT3 MET 452 -8.483 12.841 18.200 4 HA MET 452 HA MET 452 -7.687 10.113 18.914 5 1HB MET 452 HB2 MET 452 -8.403 12.180 20.456 6 2HB MET 452 HB1 MET 452 -10.009 11.600 20.036 7 1HG MET 452 HG2 MET 452 -8.056 9.584 20.962 8 2HG MET 452 HG1 MET 452 -8.657 10.732 22.157 9 1HE MET 452 HE1 MET 452 -9.921 6.985 20.981 10 2HE MET 452 HE2 MET 452 -9.045 8.029 19.863 11 3HE MET 452 HE3 MET 452 -10.766 7.727 19.624 12 H ALA 453 HN ALA 453 -10.658 11.945 18.160 13 HA ALA 453 HA ALA 453 -12.114 9.641 17.390 14 1HB ALA 453 HB1 ALA 453 -13.531 11.314 18.034 15 2HB ALA 453 HB2 ALA 453 -13.592 11.532 16.285 16 3HB ALA 453 HB3 ALA 453 -12.568 12.577 17.269 17 H LYS 454 HN LYS 454 -10.475 12.178 15.528 18 HA LYS 454 HA LYS 454 -11.024 10.731 13.048 19 1HB LYS 454 HB2 LYS 454 -9.842 13.456 13.591 20 2HB LYS 454 HB1 LYS 454 -9.953 12.753 11.983 21 1HG LYS 454 HG2 LYS 454 -12.398 12.990 13.679 22 2HG LYS 454 HG1 LYS 454 -11.783 14.393 12.805 23 1HD LYS 454 HD2 LYS 454 -11.922 13.164 10.706 24 2HD LYS 454 HD1 LYS 454 -12.488 11.733 11.568 25 1HE LYS 454 HE2 LYS 454 -14.332 12.958 10.514 26 2HE LYS 454 HE1 LYS 454 -14.487 12.916 12.269 27 1HZ LYS 454 HZ1 LYS 454 -13.408 15.200 10.707 28 2HZ LYS 454 HZ2 LYS 454 -13.636 15.157 12.382 29 3HZ LYS 454 HZ3 LYS 454 -14.972 15.111 11.348 30 H LYS 455 HN LYS 455 -9.068 10.899 11.434 31 HA LYS 455 HA LYS 455 -6.517 10.375 12.738 32 1HB LYS 455 HB2 LYS 455 -8.147 8.329 11.299 33 2HB LYS 455 HB1 LYS 455 -6.399 8.284 11.118 34 1HG LYS 455 HG2 LYS 455 -6.200 8.193 13.589 35 2HG LYS 455 HG1 LYS 455 -7.958 8.082 13.684 36 1HD LYS 455 HD2 LYS 455 -7.251 6.130 11.844 37 2HD LYS 455 HD1 LYS 455 -5.997 6.030 13.081 38 1HE LYS 455 HE2 LYS 455 -8.739 6.290 14.104 39 2HE LYS 455 HE1 LYS 455 -8.413 4.798 13.224 40 1HZ LYS 455 HZ1 LYS 455 -6.738 4.204 14.720 41 2HZ LYS 455 HZ2 LYS 455 -7.976 4.800 15.707 42 3HZ LYS 455 HZ3 LYS 455 -6.624 5.760 15.375 43 H LEU 456 HN LEU 456 -5.486 12.021 11.726 44 HA LEU 456 HA LEU 456 -5.656 12.187 8.806 45 1HB LEU 456 HB2 LEU 456 -4.520 14.395 9.119 46 2HB LEU 456 HB1 LEU 456 -6.125 14.276 9.817 47 HG LEU 456 HG LEU 456 -4.209 13.517 11.790 48 1HD1 LEU 456 HD11 LEU 456 -3.077 15.725 12.025 49 2HD1 LEU 456 HD12 LEU 456 -3.658 16.137 10.412 50 3HD1 LEU 456 HD13 LEU 456 -2.548 14.784 10.630 51 1HD2 LEU 456 HD21 LEU 456 -5.983 15.946 11.579 52 2HD2 LEU 456 HD22 LEU 456 -5.252 15.311 13.052 53 3HD2 LEU 456 HD23 LEU 456 -6.475 14.370 12.199 54 H LEU 457 HN LEU 457 -4.255 10.617 8.114 55 HA LEU 457 HA LEU 457 -1.432 11.004 8.859 56 1HB LEU 457 HB2 LEU 457 -3.075 8.554 8.743 57 2HB LEU 457 HB1 LEU 457 -1.473 8.423 8.044 58 HG LEU 457 HG LEU 457 -2.086 9.279 10.874 59 1HD1 LEU 457 HD11 LEU 457 -2.395 7.049 11.068 60 2HD1 LEU 457 HD12 LEU 457 -0.632 7.045 11.117 61 3HD1 LEU 457 HD13 LEU 457 -1.472 6.681 9.610 62 1HD2 LEU 457 HD21 LEU 457 0.419 9.165 9.264 63 2HD2 LEU 457 HD22 LEU 457 0.484 8.789 10.985 64 3HD2 LEU 457 HD23 LEU 457 -0.107 10.361 10.448 65 HA PRO 458 HA PRO 458 -1.285 11.552 4.392 66 1HB PRO 458 HB2 PRO 458 0.979 12.950 4.289 67 2HB PRO 458 HB1 PRO 458 -0.498 13.661 4.951 68 1HG PRO 458 HG2 PRO 458 1.879 12.553 6.381 69 2HG PRO 458 HG1 PRO 458 0.908 13.986 6.762 70 1HD PRO 458 HD2 PRO 458 0.639 11.491 7.966 71 2HD PRO 458 HD1 PRO 458 -0.586 12.773 7.977 72 H ALA 459 HN ALA 459 0.011 9.204 6.020 73 HA ALA 459 HA ALA 459 1.787 8.388 3.836 74 1HB ALA 459 HB1 ALA 459 3.516 7.659 5.265 75 2HB ALA 459 HB2 ALA 459 2.525 7.885 6.706 76 3HB ALA 459 HB3 ALA 459 3.102 9.286 5.805 77 H PHE 460 HN PHE 460 1.247 6.453 3.081 78 HA PHE 460 HA PHE 460 -0.540 4.768 4.669 79 1HB PHE 460 HB2 PHE 460 -0.207 5.327 1.838 80 2HB PHE 460 HB1 PHE 460 -0.231 3.595 2.150 81 HD1 PHE 460 HD1 PHE 460 -2.138 6.720 2.396 82 HD2 PHE 460 HD2 PHE 460 -2.218 2.495 2.894 83 HE1 PHE 460 HE1 PHE 460 -4.592 6.790 2.558 84 HE2 PHE 460 HE2 PHE 460 -4.672 2.556 3.057 85 HZ PHE 460 HZ PHE 460 -5.862 4.706 2.888 86 H GLN 461 HN GLN 461 2.077 4.820 5.561 87 HA GLN 461 HA GLN 461 3.853 2.949 4.586 88 1HB GLN 461 HB2 GLN 461 4.422 4.462 6.398 89 2HB GLN 461 HB1 GLN 461 3.271 3.665 7.462 90 1HG GLN 461 HG2 GLN 461 5.125 1.751 6.396 91 2HG GLN 461 HG1 GLN 461 5.989 3.096 7.141 92 1HE2 GLN 461 HE21 GLN 461 3.681 0.527 7.665 93 2HE2 GLN 461 HE22 GLN 461 3.817 0.490 9.386 94 H ASN 462 HN ASN 462 0.854 2.436 6.257 95 HA ASN 462 HA ASN 462 1.332 -0.233 7.091 96 1HB ASN 462 HB2 ASN 462 -0.624 1.578 7.596 97 2HB ASN 462 HB1 ASN 462 -1.450 0.531 6.446 98 1HD2 ASN 462 HD21 ASN 462 -1.696 -1.685 6.958 99 2HD2 ASN 462 HD22 ASN 462 -1.658 -2.223 8.599 100 H ALA 463 HN ALA 463 -0.294 1.154 4.249 101 HA ALA 463 HA ALA 463 -1.059 -1.266 3.063 102 1HB ALA 463 HB1 ALA 463 -0.936 0.154 0.902 103 2HB ALA 463 HB2 ALA 463 -0.566 1.487 1.996 104 3HB ALA 463 HB3 ALA 463 -2.086 0.608 2.160 105 H GLU 464 HN GLU 464 1.786 0.774 2.340 106 HA GLU 464 HA GLU 464 2.962 -0.964 0.504 107 1HB GLU 464 HB2 GLU 464 5.158 0.177 1.332 108 2HB GLU 464 HB1 GLU 464 3.944 1.124 0.486 109 1HG GLU 464 HG2 GLU 464 3.439 1.142 3.315 110 2HG GLU 464 HG1 GLU 464 5.093 1.648 2.973 111 H ARG 465 HN ARG 465 3.008 -0.981 4.005 112 HA ARG 465 HA ARG 465 5.156 -2.720 4.440 113 1HB ARG 465 HB2 ARG 465 4.011 -1.460 6.225 114 2HB ARG 465 HB1 ARG 465 2.592 -2.478 6.024 115 1HG ARG 465 HG2 ARG 465 4.773 -4.209 6.432 116 2HG ARG 465 HG1 ARG 465 4.919 -2.915 7.620 117 1HD ARG 465 HD2 ARG 465 2.183 -3.742 7.447 118 2HD ARG 465 HD1 ARG 465 3.207 -5.156 7.684 119 HE ARG 465 HE ARG 465 3.638 -4.441 9.813 120 1HH1 ARG 465 HH11 ARG 465 2.304 -1.783 7.987 121 2HH1 ARG 465 HH12 ARG 465 2.161 -0.744 9.365 122 1HH2 ARG 465 HH21 ARG 465 3.448 -3.078 11.628 123 2HH2 ARG 465 HH22 ARG 465 2.811 -1.479 11.432 124 H LEU 466 HN LEU 466 1.679 -3.498 4.184 125 HA LEU 466 HA LEU 466 2.015 -6.268 4.299 126 1HB LEU 466 HB2 LEU 466 -0.155 -5.721 2.538 127 2HB LEU 466 HB1 LEU 466 -0.194 -6.301 4.182 128 HG LEU 466 HG LEU 466 0.000 -3.368 3.547 129 1HD1 LEU 466 HD11 LEU 466 -2.542 -4.883 4.078 130 2HD1 LEU 466 HD12 LEU 466 -2.001 -4.419 2.464 131 3HD1 LEU 466 HD13 LEU 466 -2.361 -3.179 3.664 132 1HD2 LEU 466 HD21 LEU 466 -1.071 -3.243 5.814 133 2HD2 LEU 466 HD22 LEU 466 0.574 -3.880 5.800 134 3HD2 LEU 466 HD23 LEU 466 -0.796 -4.979 5.963 135 H LEU 467 HN LEU 467 2.447 -3.993 1.663 136 HA LEU 467 HA LEU 467 2.585 -5.945 -0.397 137 1HB LEU 467 HB2 LEU 467 2.533 -3.287 -0.534 138 2HB LEU 467 HB1 LEU 467 4.273 -3.495 -0.588 139 HG LEU 467 HG LEU 467 2.680 -5.176 -2.447 140 1HD1 LEU 467 HD11 LEU 467 1.623 -3.529 -3.462 141 2HD1 LEU 467 HD12 LEU 467 3.180 -2.813 -3.865 142 3HD1 LEU 467 HD13 LEU 467 2.345 -2.336 -2.386 143 1HD2 LEU 467 HD21 LEU 467 4.781 -5.554 -3.064 144 2HD2 LEU 467 HD22 LEU 467 5.379 -4.154 -2.175 145 3HD2 LEU 467 HD23 LEU 467 4.736 -3.953 -3.807 146 H LEU 468 HN LEU 468 4.893 -4.614 1.915 147 HA LEU 468 HA LEU 468 7.280 -5.631 0.980 148 1HB LEU 468 HB2 LEU 468 6.188 -5.180 3.720 149 2HB LEU 468 HB1 LEU 468 7.663 -6.099 3.560 150 HG LEU 468 HG LEU 468 8.764 -4.215 2.495 151 1HD1 LEU 468 HD11 LEU 468 7.766 -2.208 1.957 152 2HD1 LEU 468 HD12 LEU 468 6.394 -2.483 3.027 153 3HD1 LEU 468 HD13 LEU 468 6.523 -3.377 1.514 154 1HD2 LEU 468 HD21 LEU 468 8.741 -4.423 4.966 155 2HD2 LEU 468 HD22 LEU 468 7.335 -3.357 5.009 156 3HD2 LEU 468 HD23 LEU 468 8.880 -2.751 4.416 157 H ALA 469 HN ALA 469 4.679 -7.166 2.774 158 HA ALA 469 HA ALA 469 5.818 -9.708 3.110 159 1HB ALA 469 HB1 ALA 469 3.713 -8.891 4.187 160 2HB ALA 469 HB2 ALA 469 3.586 -10.504 3.487 161 3HB ALA 469 HB3 ALA 469 2.896 -9.122 2.642 162 H HIS 470 HN HIS 470 3.884 -8.336 0.475 163 HA HIS 470 HA HIS 470 3.798 -10.687 -1.117 164 1HB HIS 470 HB2 HIS 470 3.390 -7.761 -1.710 165 2HB HIS 470 HB1 HIS 470 3.279 -8.982 -2.971 166 HD1 HIS 470 HD1 HIS 470 1.148 -7.124 -0.918 167 HD2 HIS 470 HD2 HIS 470 1.337 -11.144 -1.927 168 HE1 HIS 470 HE1 HIS 470 -1.147 -8.041 -0.458 169 HE2 HIS 470 HE2 HIS 470 -0.978 -10.499 -0.973 170 H MET 471 HN MET 471 5.685 -7.716 -1.524 171 HA MET 471 HA MET 471 7.292 -8.593 -3.637 172 1HB MET 471 HB2 MET 471 8.876 -6.720 -2.599 173 2HB MET 471 HB1 MET 471 7.417 -6.335 -3.497 174 1HG MET 471 HG2 MET 471 6.230 -5.782 -1.596 175 2HG MET 471 HG1 MET 471 7.322 -6.663 -0.535 176 1HE MET 471 HE1 MET 471 10.127 -5.192 -2.184 177 2HE MET 471 HE2 MET 471 9.885 -6.067 -0.668 178 3HE MET 471 HE3 MET 471 10.480 -4.400 -0.646 179 H MET 472 HN MET 472 7.652 -8.988 -0.197 180 HA MET 472 HA MET 472 10.247 -9.455 0.297 181 1HB MET 472 HB2 MET 472 7.833 -10.126 1.517 182 2HB MET 472 HB1 MET 472 8.710 -11.642 1.407 183 1HG MET 472 HG2 MET 472 9.276 -10.731 3.483 184 2HG MET 472 HG1 MET 472 10.669 -10.440 2.442 185 1HE MET 472 HE1 MET 472 7.884 -7.865 4.615 186 2HE MET 472 HE2 MET 472 9.484 -8.025 5.348 187 3HE MET 472 HE3 MET 472 8.564 -9.469 4.903 188 H ARG 473 HN ARG 473 8.550 -11.304 -2.076 189 HA ARG 473 HA ARG 473 10.906 -12.914 -2.470 190 1HB ARG 473 HB2 ARG 473 9.992 -15.068 -2.069 191 2HB ARG 473 HB1 ARG 473 9.665 -14.094 -0.644 192 1HG ARG 473 HG2 ARG 473 7.426 -13.727 -2.229 193 2HG ARG 473 HG1 ARG 473 7.829 -15.432 -2.434 194 1HD ARG 473 HD2 ARG 473 8.133 -14.974 0.287 195 2HD ARG 473 HD1 ARG 473 6.695 -14.053 -0.151 196 HE ARG 473 HE ARG 473 5.590 -16.032 -0.286 197 1HH1 ARG 473 HH11 ARG 473 8.969 -16.653 -0.904 198 2HH1 ARG 473 HH12 ARG 473 8.751 -18.361 -1.076 199 1HH2 ARG 473 HH21 ARG 473 5.303 -18.281 -0.509 200 2HH2 ARG 473 HH22 ARG 473 6.672 -19.286 -0.852 201 H SER 474 HN SER 474 9.074 -11.091 -4.035 202 HA SER 474 HA SER 474 8.727 -12.937 -6.301 203 1HB SER 474 HB2 SER 474 6.605 -11.812 -4.927 204 2HB SER 474 HB1 SER 474 6.803 -10.739 -6.312 205 HG SER 474 HG SER 474 6.499 -13.560 -6.401 206 H ARG 475 HN ARG 475 10.108 -12.321 -7.866 207 HA ARG 475 HA ARG 475 11.355 -9.812 -7.983 208 1HB ARG 475 HB2 ARG 475 11.535 -10.601 -10.582 209 2HB ARG 475 HB1 ARG 475 12.624 -11.141 -9.316 210 1HG ARG 475 HG2 ARG 475 11.474 -13.198 -9.085 211 2HG ARG 475 HG1 ARG 475 10.111 -12.626 -10.051 212 1HD ARG 475 HD2 ARG 475 11.085 -13.509 -11.841 213 2HD ARG 475 HD1 ARG 475 12.371 -12.315 -11.673 214 HE ARG 475 HE ARG 475 12.712 -14.646 -10.019 215 1HH1 ARG 475 HH11 ARG 475 13.303 -13.241 -13.160 216 2HH1 ARG 475 HH12 ARG 475 14.648 -14.275 -13.507 217 1HH2 ARG 475 HH21 ARG 475 14.479 -16.006 -10.476 218 2HH2 ARG 475 HH22 ARG 475 15.315 -15.846 -11.985 219 H ASP 476 HN ASP 476 8.364 -10.978 -9.379 220 HA ASP 476 HA ASP 476 7.938 -8.783 -11.130 221 1HB ASP 476 HB2 ASP 476 5.839 -10.611 -9.953 222 2HB ASP 476 HB1 ASP 476 5.737 -9.686 -11.448 223 H VAL 477 HN VAL 477 6.624 -9.678 -7.955 224 HA VAL 477 HA VAL 477 5.125 -7.324 -7.672 225 HB VAL 477 HB VAL 477 6.134 -9.113 -5.467 226 1HG1 VAL 477 HG11 VAL 477 3.576 -7.787 -5.076 227 2HG1 VAL 477 HG12 VAL 477 4.909 -6.645 -5.258 228 3HG1 VAL 477 HG13 VAL 477 4.973 -7.887 -4.007 229 1HG2 VAL 477 HG21 VAL 477 3.396 -9.546 -5.997 230 2HG2 VAL 477 HG22 VAL 477 4.739 -10.664 -6.234 231 3HG2 VAL 477 HG23 VAL 477 4.235 -9.601 -7.547 232 H ALA 478 HN ALA 478 8.238 -8.290 -6.256 233 HA ALA 478 HA ALA 478 8.747 -6.021 -4.789 234 1HB ALA 478 HB1 ALA 478 10.374 -8.174 -5.899 235 2HB ALA 478 HB2 ALA 478 10.394 -7.439 -4.300 236 3HB ALA 478 HB3 ALA 478 11.242 -6.665 -5.634 237 H LEU 479 HN LEU 479 9.159 -6.548 -8.260 238 HA LEU 479 HA LEU 479 10.558 -4.131 -8.770 239 1HB LEU 479 HB2 LEU 479 10.471 -4.717 -10.964 240 2HB LEU 479 HB1 LEU 479 10.071 -6.275 -10.274 241 HG LEU 479 HG LEU 479 7.592 -5.328 -10.544 242 1HD1 LEU 479 HD11 LEU 479 7.461 -4.126 -12.725 243 2HD1 LEU 479 HD12 LEU 479 9.206 -3.890 -12.637 244 3HD1 LEU 479 HD13 LEU 479 8.157 -3.179 -11.411 245 1HD2 LEU 479 HD21 LEU 479 7.393 -6.947 -12.085 246 2HD2 LEU 479 HD22 LEU 479 9.091 -7.262 -11.732 247 3HD2 LEU 479 HD23 LEU 479 8.650 -6.260 -13.114 248 H VAL 480 HN VAL 480 7.157 -5.010 -8.657 249 HA VAL 480 HA VAL 480 6.050 -2.634 -9.634 250 HB VAL 480 HB VAL 480 4.866 -4.384 -7.482 251 1HG1 VAL 480 HG11 VAL 480 3.866 -2.082 -8.086 252 2HG1 VAL 480 HG12 VAL 480 2.793 -3.482 -8.027 253 3HG1 VAL 480 HG13 VAL 480 3.358 -2.868 -9.581 254 1HG2 VAL 480 HG21 VAL 480 5.652 -5.211 -9.995 255 2HG2 VAL 480 HG22 VAL 480 3.940 -4.841 -10.202 256 3HG2 VAL 480 HG23 VAL 480 4.450 -5.997 -8.972 257 H VAL 481 HN VAL 481 7.337 -3.495 -6.523 258 HA VAL 481 HA VAL 481 6.286 -1.298 -5.083 259 HB VAL 481 HB VAL 481 8.858 -2.501 -4.227 260 1HG1 VAL 481 HG11 VAL 481 6.724 -1.045 -3.077 261 2HG1 VAL 481 HG12 VAL 481 8.219 -1.586 -2.318 262 3HG1 VAL 481 HG13 VAL 481 6.790 -2.618 -2.291 263 1HG2 VAL 481 HG21 VAL 481 6.482 -4.068 -4.914 264 2HG2 VAL 481 HG22 VAL 481 7.094 -4.348 -3.290 265 3HG2 VAL 481 HG23 VAL 481 8.148 -4.567 -4.676 266 H GLN 482 HN GLN 482 9.563 -1.946 -6.316 267 HA GLN 482 HA GLN 482 10.616 0.572 -5.616 268 1HB GLN 482 HB2 GLN 482 11.992 -1.428 -6.007 269 2HB GLN 482 HB1 GLN 482 11.587 -1.368 -7.717 270 1HG GLN 482 HG2 GLN 482 13.817 -0.453 -7.185 271 2HG GLN 482 HG1 GLN 482 12.752 0.700 -7.987 272 1HE2 GLN 482 HE21 GLN 482 13.545 2.580 -7.249 273 2HE2 GLN 482 HE22 GLN 482 13.611 3.033 -5.584 274 H GLU 483 HN GLU 483 9.058 -0.581 -8.549 275 HA GLU 483 HA GLU 483 9.797 1.725 -10.081 276 1HB GLU 483 HB2 GLU 483 9.010 -0.773 -10.746 277 2HB GLU 483 HB1 GLU 483 7.503 0.102 -10.981 278 1HG GLU 483 HG2 GLU 483 8.828 1.727 -12.397 279 2HG GLU 483 HG1 GLU 483 10.142 0.553 -12.339 280 H ARG 484 HN ARG 484 6.746 0.642 -8.560 281 HA ARG 484 HA ARG 484 5.616 3.266 -9.210 282 1HB ARG 484 HB2 ARG 484 4.280 0.719 -8.315 283 2HB ARG 484 HB1 ARG 484 3.439 2.232 -8.627 284 1HG ARG 484 HG2 ARG 484 4.345 2.151 -10.960 285 2HG ARG 484 HG1 ARG 484 4.933 0.527 -10.601 286 1HD ARG 484 HD2 ARG 484 2.926 -0.057 -11.466 287 2HD ARG 484 HD1 ARG 484 2.394 0.245 -9.813 288 HE ARG 484 HE ARG 484 2.092 2.655 -10.951 289 1HH1 ARG 484 HH11 ARG 484 1.088 -0.535 -11.956 290 2HH1 ARG 484 HH12 ARG 484 -0.307 0.037 -12.807 291 1HH2 ARG 484 HH21 ARG 484 0.255 3.406 -12.068 292 2HH2 ARG 484 HH22 ARG 484 -0.780 2.273 -12.871 293 H ILE 485 HN ILE 485 5.766 1.054 -6.380 294 HA ILE 485 HA ILE 485 4.627 2.813 -4.550 295 HB ILE 485 HB ILE 485 6.008 0.311 -4.386 296 1HG1 ILE 485 HG12 ILE 485 4.504 1.556 -2.114 297 2HG1 ILE 485 HG11 ILE 485 3.657 1.158 -3.604 298 1HG2 ILE 485 HG21 ILE 485 6.843 2.320 -2.303 299 2HG2 ILE 485 HG22 ILE 485 7.889 1.408 -3.392 300 3HG2 ILE 485 HG23 ILE 485 7.001 0.575 -2.116 301 1HD1 ILE 485 HD11 ILE 485 5.206 -0.788 -1.890 302 2HD1 ILE 485 HD12 ILE 485 4.310 -1.168 -3.366 303 3HD1 ILE 485 HD13 ILE 485 3.443 -0.609 -1.936 304 H GLY 486 HN GLY 486 5.486 4.226 -3.003 305 1HA GLY 486 HA2 GLY 486 8.194 4.942 -2.779 306 2HA GLY 486 HA1 GLY 486 7.436 6.010 -3.950 307 H GLY 487 HN GLY 487 6.745 7.861 -3.127 308 1HA GLY 487 HA2 GLY 487 5.969 9.424 -1.637 309 2HA GLY 487 HA1 GLY 487 5.016 8.116 -0.953 310 H ARG 488 HN ARG 488 5.257 8.748 1.170 311 HA ARG 488 HA ARG 488 7.997 8.596 2.245 312 1HB ARG 488 HB2 ARG 488 6.410 10.762 2.406 313 2HB ARG 488 HB1 ARG 488 5.872 9.907 3.846 314 1HG ARG 488 HG2 ARG 488 8.604 9.751 4.040 315 2HG ARG 488 HG1 ARG 488 8.349 11.350 3.340 316 1HD ARG 488 HD2 ARG 488 6.427 11.183 5.323 317 2HD ARG 488 HD1 ARG 488 7.833 10.388 6.034 318 HE ARG 488 HE ARG 488 7.535 13.184 5.439 319 1HH1 ARG 488 HH11 ARG 488 9.819 10.592 5.926 320 2HH1 ARG 488 HH12 ARG 488 11.114 11.649 6.380 321 1HH2 ARG 488 HH21 ARG 488 9.236 14.577 6.036 322 2HH2 ARG 488 HH22 ARG 488 10.783 13.911 6.443 323 H PHE 489 HN PHE 489 7.997 7.956 4.632 324 HA PHE 489 HA PHE 489 5.914 5.987 5.242 325 1HB PHE 489 HB2 PHE 489 8.873 5.384 5.415 326 2HB PHE 489 HB1 PHE 489 7.554 4.288 5.816 327 HD1 PHE 489 HD1 PHE 489 6.787 2.806 4.224 328 HD2 PHE 489 HD2 PHE 489 8.905 6.280 2.977 329 HE1 PHE 489 HE1 PHE 489 6.766 1.981 1.906 330 HE2 PHE 489 HE2 PHE 489 8.888 5.463 0.656 331 HZ PHE 489 HZ PHE 489 7.817 3.312 0.117 332 H ASN 490 HN ASN 490 6.530 4.999 7.542 333 HA ASN 490 HA ASN 490 6.933 7.326 9.286 334 1HB ASN 490 HB2 ASN 490 4.804 5.825 9.334 335 2HB ASN 490 HB1 ASN 490 5.826 4.695 10.219 336 1HD2 ASN 490 HD21 ASN 490 4.797 8.080 10.202 337 2HD2 ASN 490 HD22 ASN 490 4.777 8.263 11.920 338 H ILE 491 HN ILE 491 7.874 3.935 8.881 339 HA ILE 491 HA ILE 491 10.031 4.337 10.837 340 HB ILE 491 HB ILE 491 9.121 1.710 9.667 341 1HG1 ILE 491 HG12 ILE 491 8.415 2.227 12.456 342 2HG1 ILE 491 HG11 ILE 491 7.612 3.327 11.341 343 1HG2 ILE 491 HG21 ILE 491 11.419 2.298 10.985 344 2HG2 ILE 491 HG22 ILE 491 10.644 0.713 10.982 345 3HG2 ILE 491 HG23 ILE 491 10.368 1.827 12.321 346 1HD1 ILE 491 HD11 ILE 491 7.316 0.399 11.668 347 2HD1 ILE 491 HD12 ILE 491 7.111 1.079 10.053 348 3HD1 ILE 491 HD13 ILE 491 6.097 1.641 11.382 349 H GLU 492 HN GLU 492 12.150 4.084 10.294 350 HA GLU 492 HA GLU 492 12.892 4.470 7.594 351 1HB GLU 492 HB2 GLU 492 14.120 4.716 10.095 352 2HB GLU 492 HB1 GLU 492 15.075 3.514 9.237 353 1HG GLU 492 HG2 GLU 492 14.505 5.688 7.477 354 2HG GLU 492 HG1 GLU 492 15.161 6.315 8.988 355 H GLU 493 HN GLU 493 12.743 1.636 9.649 356 HA GLU 493 HA GLU 493 14.258 -0.082 8.015 357 1HB GLU 493 HB2 GLU 493 12.035 -1.209 9.635 358 2HB GLU 493 HB1 GLU 493 13.697 -1.750 9.474 359 1HG GLU 493 HG2 GLU 493 12.697 0.547 11.137 360 2HG GLU 493 HG1 GLU 493 13.321 -0.995 11.711 361 H HIS 494 HN HIS 494 10.712 0.295 8.312 362 HA HIS 494 HA HIS 494 9.897 -1.526 6.408 363 1HB HIS 494 HB2 HIS 494 8.758 1.128 7.251 364 2HB HIS 494 HB1 HIS 494 7.973 0.162 6.006 365 HD1 HIS 494 HD1 HIS 494 5.917 -0.106 7.597 366 HD2 HIS 494 HD2 HIS 494 9.443 -1.791 9.011 367 HE1 HIS 494 HE1 HIS 494 5.231 -1.604 9.498 368 HE2 HIS 494 HE2 HIS 494 7.371 -2.679 10.280 369 H ARG 495 HN ARG 495 10.450 1.955 5.828 370 HA ARG 495 HA ARG 495 10.191 1.879 3.058 371 1HB ARG 495 HB2 ARG 495 11.620 3.945 3.061 372 2HB ARG 495 HB1 ARG 495 10.240 4.009 4.145 373 1HG ARG 495 HG2 ARG 495 11.835 3.323 5.990 374 2HG ARG 495 HG1 ARG 495 13.136 3.655 4.844 375 1HD ARG 495 HD2 ARG 495 11.347 5.853 4.776 376 2HD ARG 495 HD1 ARG 495 11.672 5.484 6.470 377 HE ARG 495 HE ARG 495 14.118 5.473 5.185 378 1HH1 ARG 495 HH11 ARG 495 11.554 7.763 5.781 379 2HH1 ARG 495 HH12 ARG 495 12.608 9.136 5.777 380 1HH2 ARG 495 HH21 ARG 495 15.508 7.277 5.178 381 2HH2 ARG 495 HH22 ARG 495 14.854 8.861 5.433 382 H ALA 496 HN ALA 496 12.781 0.890 5.150 383 HA ALA 496 HA ALA 496 14.811 0.764 3.155 384 1HB ALA 496 HB1 ALA 496 14.789 -1.004 5.571 385 2HB ALA 496 HB2 ALA 496 15.097 0.727 5.722 386 3HB ALA 496 HB3 ALA 496 16.158 -0.279 4.729 387 H LEU 497 HN LEU 497 12.176 -1.308 4.135 388 HA LEU 497 HA LEU 497 13.132 -3.693 2.942 389 1HB LEU 497 HB2 LEU 497 11.106 -3.309 4.560 390 2HB LEU 497 HB1 LEU 497 10.217 -3.042 3.072 391 HG LEU 497 HG LEU 497 9.849 -5.304 3.595 392 1HD1 LEU 497 HD11 LEU 497 10.405 -5.004 1.261 393 2HD1 LEU 497 HD12 LEU 497 11.015 -6.557 1.830 394 3HD1 LEU 497 HD13 LEU 497 12.120 -5.200 1.618 395 1HD2 LEU 497 HD21 LEU 497 12.228 -6.649 3.781 396 2HD2 LEU 497 HD22 LEU 497 11.196 -6.189 5.132 397 3HD2 LEU 497 HD23 LEU 497 12.547 -5.161 4.664 398 H ALA 498 HN ALA 498 10.798 -1.246 1.833 399 HA ALA 498 HA ALA 498 10.425 -2.190 -0.773 400 1HB ALA 498 HB1 ALA 498 10.363 0.493 -1.150 401 2HB ALA 498 HB2 ALA 498 10.118 0.393 0.594 402 3HB ALA 498 HB3 ALA 498 9.028 -0.460 -0.500 403 H ALA 499 HN ALA 499 12.990 -0.306 0.698 404 HA ALA 499 HA ALA 499 14.433 0.309 -1.690 405 1HB ALA 499 HB1 ALA 499 15.689 1.570 -0.337 406 2HB ALA 499 HB2 ALA 499 16.012 0.218 0.753 407 3HB ALA 499 HB3 ALA 499 14.526 1.160 0.926 408 H TYR 500 HN TYR 500 14.530 -2.270 0.720 409 HA TYR 500 HA TYR 500 16.973 -3.401 0.187 410 1HB TYR 500 HB2 TYR 500 14.345 -4.809 0.726 411 2HB TYR 500 HB1 TYR 500 15.893 -5.634 0.691 412 HD1 TYR 500 HD1 TYR 500 14.033 -5.731 2.963 413 HD2 TYR 500 HD2 TYR 500 17.179 -3.003 2.114 414 HE1 TYR 500 HE1 TYR 500 14.274 -5.303 5.355 415 HE2 TYR 500 HE2 TYR 500 17.440 -2.552 4.520 416 HH TYR 500 HH TYR 500 16.898 -3.315 6.612 417 H ILE 501 HN ILE 501 13.905 -3.687 -1.471 418 HA ILE 501 HA ILE 501 14.634 -5.558 -3.412 419 HB ILE 501 HB ILE 501 12.431 -3.660 -3.030 420 1HG1 ILE 501 HG12 ILE 501 11.111 -5.597 -3.695 421 2HG1 ILE 501 HG11 ILE 501 12.564 -6.429 -4.235 422 1HG2 ILE 501 HG21 ILE 501 11.621 -3.851 -5.361 423 2HG2 ILE 501 HG22 ILE 501 13.183 -4.532 -5.819 424 3HG2 ILE 501 HG23 ILE 501 13.083 -2.877 -5.217 425 1HD1 ILE 501 HD11 ILE 501 11.539 -7.007 -1.936 426 2HD1 ILE 501 HD12 ILE 501 12.332 -5.526 -1.402 427 3HD1 ILE 501 HD13 ILE 501 13.288 -6.840 -2.088 428 H TYR 502 HN TYR 502 14.711 -2.023 -3.430 429 HA TYR 502 HA TYR 502 15.488 -1.454 -5.962 430 1HB TYR 502 HB2 TYR 502 15.119 0.229 -4.198 431 2HB TYR 502 HB1 TYR 502 16.667 -0.199 -3.479 432 HD1 TYR 502 HD1 TYR 502 18.355 1.305 -3.886 433 HD2 TYR 502 HD2 TYR 502 15.417 0.678 -6.898 434 HE1 TYR 502 HE1 TYR 502 19.485 2.950 -5.322 435 HE2 TYR 502 HE2 TYR 502 16.540 2.320 -8.344 436 HH TYR 502 HH TYR 502 18.204 4.468 -7.742 437 H ALA 503 HN ALA 503 17.978 -1.789 -3.396 438 HA ALA 503 HA ALA 503 20.052 -2.067 -5.344 439 1HB ALA 503 HB1 ALA 503 20.633 -2.935 -2.595 440 2HB ALA 503 HB2 ALA 503 20.021 -1.291 -2.777 441 3HB ALA 503 HB3 ALA 503 21.480 -1.789 -3.635 442 H PHE 504 HN PHE 504 18.566 -4.432 -3.112 443 HA PHE 504 HA PHE 504 20.207 -6.550 -3.898 444 1HB PHE 504 HB2 PHE 504 19.229 -7.643 -2.268 445 2HB PHE 504 HB1 PHE 504 18.316 -6.177 -1.961 446 HD1 PHE 504 HD1 PHE 504 16.409 -6.078 -4.029 447 HD2 PHE 504 HD2 PHE 504 17.909 -9.429 -1.928 448 HE1 PHE 504 HE1 PHE 504 14.336 -7.253 -4.447 449 HE2 PHE 504 HE2 PHE 504 15.828 -10.632 -2.345 450 HZ PHE 504 HZ PHE 504 14.004 -9.547 -3.603 451 H TYR 505 HN TYR 505 17.546 -5.070 -5.457 452 HA TYR 505 HA TYR 505 16.877 -7.202 -7.233 453 1HB TYR 505 HB2 TYR 505 16.225 -4.366 -6.975 454 2HB TYR 505 HB1 TYR 505 16.465 -4.831 -8.648 455 HD1 TYR 505 HD1 TYR 505 15.174 -7.185 -6.162 456 HD2 TYR 505 HD2 TYR 505 14.186 -4.464 -9.268 457 HE1 TYR 505 HE1 TYR 505 12.895 -8.116 -6.228 458 HE2 TYR 505 HE2 TYR 505 11.915 -5.382 -9.358 459 HH TYR 505 HH TYR 505 11.013 -8.230 -7.579 460 H GLU 506 HN GLU 506 19.033 -4.411 -7.373 461 HA GLU 506 HA GLU 506 20.022 -4.699 -9.946 462 1HB GLU 506 HB2 GLU 506 20.723 -3.234 -7.568 463 2HB GLU 506 HB1 GLU 506 22.181 -3.849 -8.334 464 1HG GLU 506 HG2 GLU 506 21.635 -2.755 -10.392 465 2HG GLU 506 HG1 GLU 506 20.060 -2.270 -9.765 466 H GLU 507 HN GLU 507 20.685 -6.504 -7.046 467 HA GLU 507 HA GLU 507 23.125 -7.684 -7.823 468 1HB GLU 507 HB2 GLU 507 20.930 -8.821 -6.081 469 2HB GLU 507 HB1 GLU 507 22.557 -9.472 -6.208 470 1HG GLU 507 HG2 GLU 507 23.417 -7.277 -5.393 471 2HG GLU 507 HG1 GLU 507 21.748 -6.798 -5.098 472 H GLY 508 HN GLY 508 19.923 -8.113 -8.970 473 1HA GLY 508 HA2 GLY 508 19.145 -9.336 -10.756 474 2HA GLY 508 HA1 GLY 508 20.788 -9.893 -11.026 475 H HIS 509 HN HIS 509 17.957 -10.385 -8.924 476 HA HIS 509 HA HIS 509 17.706 -13.096 -9.267 477 1HB HIS 509 HB2 HIS 509 18.760 -14.074 -7.259 478 2HB HIS 509 HB1 HIS 509 19.959 -13.395 -8.351 479 HD1 HIS 509 HD1 HIS 509 18.251 -12.679 -5.065 480 HD2 HIS 509 HD2 HIS 509 21.546 -11.424 -7.263 481 HE1 HIS 509 HE1 HIS 509 19.566 -11.200 -3.517 482 HE2 HIS 509 HE2 HIS 509 21.623 -10.565 -4.826 483 H GLU 510 HN GLU 510 17.837 -10.645 -6.740 484 HA GLU 510 HA GLU 510 16.452 -10.176 -4.993 485 1HB GLU 510 HB2 GLU 510 14.196 -9.556 -5.739 486 2HB GLU 510 HB1 GLU 510 15.430 -9.011 -6.858 487 1HG GLU 510 HG2 GLU 510 13.630 -9.813 -8.147 488 2HG GLU 510 HG1 GLU 510 14.919 -11.005 -8.272 489 H ALA 511 HN ALA 511 13.724 -10.875 -4.579 490 HA ALA 511 HA ALA 511 12.442 -12.416 -3.549 491 1HB ALA 511 HB1 ALA 511 14.019 -14.408 -5.176 492 2HB ALA 511 HB2 ALA 511 12.564 -13.567 -5.711 493 3HB ALA 511 HB3 ALA 511 12.479 -14.707 -4.371 494 H ASP 512 HN ASP 512 12.950 -14.947 -2.538 495 HA ASP 512 HA ASP 512 13.922 -16.066 -0.812 496 1HB ASP 512 HB2 ASP 512 16.345 -14.305 -1.213 497 2HB ASP 512 HB1 ASP 512 16.287 -15.885 -0.440 498 HA PRO 513 HA PRO 513 12.543 -12.750 2.045 499 1HB PRO 513 HB2 PRO 513 11.771 -15.141 3.608 500 2HB PRO 513 HB1 PRO 513 10.808 -13.730 3.159 501 1HG PRO 513 HG2 PRO 513 10.424 -16.107 1.991 502 2HG PRO 513 HG1 PRO 513 10.272 -14.591 1.084 503 1HD PRO 513 HD2 PRO 513 12.513 -16.570 1.109 504 2HD PRO 513 HD1 PRO 513 11.838 -15.646 -0.249 505 H GLY 514 HN GLY 514 13.788 -15.847 3.317 506 1HA GLY 514 HA2 GLY 514 14.943 -14.815 5.627 507 2HA GLY 514 HA1 GLY 514 15.448 -16.299 4.837 508 H ALA 515 HN ALA 515 16.041 -14.504 2.381 509 HA ALA 515 HA ALA 515 18.808 -14.080 3.070 510 1HB ALA 515 HB1 ALA 515 17.200 -14.014 0.571 511 2HB ALA 515 HB2 ALA 515 18.697 -14.873 0.931 512 3HB ALA 515 HB3 ALA 515 18.734 -13.141 0.602 513 H LEU 516 HN LEU 516 16.197 -12.035 1.803 514 HA LEU 516 HA LEU 516 17.645 -9.610 2.256 515 1HB LEU 516 HB2 LEU 516 16.154 -9.613 0.432 516 2HB LEU 516 HB1 LEU 516 14.842 -10.261 1.396 517 HG LEU 516 HG LEU 516 15.973 -7.497 1.818 518 1HD1 LEU 516 HD11 LEU 516 13.911 -6.747 0.609 519 2HD1 LEU 516 HD12 LEU 516 13.693 -8.415 0.079 520 3HD1 LEU 516 HD13 LEU 516 15.128 -7.514 -0.410 521 1HD2 LEU 516 HD21 LEU 516 13.334 -7.573 2.594 522 2HD2 LEU 516 HD22 LEU 516 14.733 -7.674 3.669 523 3HD2 LEU 516 HD23 LEU 516 13.951 -9.147 3.093 524 H ILE 517 HN ILE 517 14.948 -11.258 3.888 525 HA ILE 517 HA ILE 517 14.285 -9.278 5.724 526 HB ILE 517 HB ILE 517 14.244 -12.264 6.213 527 1HG1 ILE 517 HG12 ILE 517 12.618 -12.275 4.641 528 2HG1 ILE 517 HG11 ILE 517 11.627 -11.532 5.877 529 1HG2 ILE 517 HG21 ILE 517 12.225 -11.220 7.710 530 2HG2 ILE 517 HG22 ILE 517 13.463 -9.973 7.850 531 3HG2 ILE 517 HG23 ILE 517 13.830 -11.633 8.314 532 1HD1 ILE 517 HD11 ILE 517 11.218 -9.967 4.374 533 2HD1 ILE 517 HD12 ILE 517 12.547 -10.482 3.340 534 3HD1 ILE 517 HD13 ILE 517 12.845 -9.376 4.678 535 H SER 518 HN SER 518 17.006 -11.460 5.685 536 HA SER 518 HA SER 518 17.740 -10.853 8.418 537 1HB SER 518 HB2 SER 518 18.899 -12.564 6.244 538 2HB SER 518 HB1 SER 518 19.883 -12.140 7.644 539 HG SER 518 HG SER 518 17.320 -13.354 7.776 540 H ARG 519 HN ARG 519 17.534 -8.484 7.010 541 HA ARG 519 HA ARG 519 20.294 -7.548 7.137 542 1HB ARG 519 HB2 ARG 519 18.531 -7.379 4.716 543 2HB ARG 519 HB1 ARG 519 19.735 -6.135 5.019 544 1HG ARG 519 HG2 ARG 519 21.471 -7.498 4.531 545 2HG ARG 519 HG1 ARG 519 20.664 -8.935 5.161 546 1HD ARG 519 HD2 ARG 519 21.019 -8.891 2.669 547 2HD ARG 519 HD1 ARG 519 19.362 -9.176 3.197 548 HE ARG 519 HE ARG 519 18.745 -7.196 2.227 549 1HH1 ARG 519 HH11 ARG 519 22.224 -7.296 2.484 550 2HH1 ARG 519 HH12 ARG 519 22.461 -5.872 1.528 551 1HH2 ARG 519 HH21 ARG 519 19.054 -5.321 0.970 552 2HH2 ARG 519 HH22 ARG 519 20.661 -4.750 0.669 553 H ILE 520 HN ILE 520 17.509 -7.276 8.482 554 HA ILE 520 HA ILE 520 16.980 -4.445 8.235 555 HB ILE 520 HB ILE 520 15.736 -5.884 10.481 556 1HG1 ILE 520 HG12 ILE 520 15.784 -7.690 8.821 557 2HG1 ILE 520 HG11 ILE 520 14.149 -7.095 9.063 558 1HG2 ILE 520 HG21 ILE 520 15.115 -3.778 8.548 559 2HG2 ILE 520 HG22 ILE 520 14.623 -3.964 10.233 560 3HG2 ILE 520 HG23 ILE 520 13.775 -4.835 8.964 561 1HD1 ILE 520 HD11 ILE 520 15.312 -7.497 6.658 562 2HD1 ILE 520 HD12 ILE 520 15.577 -5.770 6.904 563 3HD1 ILE 520 HD13 ILE 520 13.942 -6.429 6.965 564 HA PRO 521 HA PRO 521 19.486 -3.016 11.576 565 1HB PRO 521 HB2 PRO 521 17.370 -1.060 12.198 566 2HB PRO 521 HB1 PRO 521 19.029 -0.786 11.656 567 1HG PRO 521 HG2 PRO 521 16.959 -0.345 10.026 568 2HG PRO 521 HG1 PRO 521 18.478 -1.027 9.418 569 1HD PRO 521 HD2 PRO 521 15.919 -2.434 10.110 570 2HD PRO 521 HD1 PRO 521 16.960 -2.635 8.683 571 H GLY 522 HN GLY 522 15.974 -3.358 12.293 572 1HA GLY 522 HA2 GLY 522 16.436 -5.033 14.496 573 2HA GLY 522 HA1 GLY 522 16.297 -3.394 15.094 574 H GLU 523 HN GLU 523 14.189 -2.331 13.695 575 HA GLU 523 HA GLU 523 12.012 -3.718 14.947 576 1HB GLU 523 HB2 GLU 523 12.444 -1.106 13.687 577 2HB GLU 523 HB1 GLU 523 10.817 -1.741 13.489 578 1HG GLU 523 HG2 GLU 523 10.845 -2.134 16.006 579 2HG GLU 523 HG1 GLU 523 12.278 -1.106 16.028 580 H LEU 524 HN LEU 524 12.872 -3.113 11.526 581 HA LEU 524 HA LEU 524 10.505 -4.471 10.644 582 1HB LEU 524 HB2 LEU 524 11.126 -2.851 9.140 583 2HB LEU 524 HB1 LEU 524 12.826 -3.192 9.301 584 HG LEU 524 HG LEU 524 12.072 -5.458 8.081 585 1HD1 LEU 524 HD11 LEU 524 10.340 -5.142 6.522 586 2HD1 LEU 524 HD12 LEU 524 10.244 -3.415 6.859 587 3HD1 LEU 524 HD13 LEU 524 9.692 -4.580 8.062 588 1HD2 LEU 524 HD21 LEU 524 12.427 -3.850 5.922 589 2HD2 LEU 524 HD22 LEU 524 13.730 -4.477 6.933 590 3HD2 LEU 524 HD23 LEU 524 13.099 -2.855 7.211 591 H GLN 525 HN GLN 525 13.329 -5.510 12.002 592 HA GLN 525 HA GLN 525 13.916 -7.839 10.499 593 1HB GLN 525 HB2 GLN 525 14.730 -6.668 13.020 594 2HB GLN 525 HB1 GLN 525 14.480 -8.400 13.191 595 1HG GLN 525 HG2 GLN 525 15.937 -7.910 10.793 596 2HG GLN 525 HG1 GLN 525 16.707 -7.047 12.124 597 1HE2 GLN 525 HE21 GLN 525 17.588 -9.390 10.592 598 2HE2 GLN 525 HE22 GLN 525 17.877 -10.632 11.757 599 HA PRO 526 HA PRO 526 10.971 -10.114 13.585 600 1HB PRO 526 HB2 PRO 526 9.407 -8.518 15.160 601 2HB PRO 526 HB1 PRO 526 10.964 -9.174 15.682 602 1HG PRO 526 HG2 PRO 526 10.312 -6.454 14.621 603 2HG PRO 526 HG1 PRO 526 11.374 -6.907 15.966 604 1HD PRO 526 HD2 PRO 526 12.338 -6.256 13.536 605 2HD PRO 526 HD1 PRO 526 13.119 -7.473 14.562 606 H LEU 527 HN LEU 527 9.906 -6.899 12.483 607 HA LEU 527 HA LEU 527 7.246 -7.648 11.887 608 1HB LEU 527 HB2 LEU 527 9.005 -5.359 11.344 609 2HB LEU 527 HB1 LEU 527 7.741 -5.602 10.155 610 HG LEU 527 HG LEU 527 6.861 -5.679 12.972 611 1HD1 LEU 527 HD11 LEU 527 8.350 -3.406 11.855 612 2HD1 LEU 527 HD12 LEU 527 8.012 -3.834 13.533 613 3HD1 LEU 527 HD13 LEU 527 6.789 -3.003 12.571 614 1HD2 LEU 527 HD21 LEU 527 5.591 -5.640 10.614 615 2HD2 LEU 527 HD22 LEU 527 5.662 -3.907 10.934 616 3HD2 LEU 527 HD23 LEU 527 4.892 -4.988 12.096 617 H ALA 528 HN ALA 528 10.010 -7.160 9.682 618 HA ALA 528 HA ALA 528 8.775 -8.032 7.350 619 1HB ALA 528 HB1 ALA 528 10.888 -6.846 7.351 620 2HB ALA 528 HB2 ALA 528 11.036 -8.367 6.472 621 3HB ALA 528 HB3 ALA 528 11.682 -8.226 8.106 622 H SER 529 HN SER 529 10.647 -9.917 9.731 623 HA SER 529 HA SER 529 10.712 -12.338 8.373 624 1HB SER 529 HB2 SER 529 11.661 -11.554 10.750 625 2HB SER 529 HB1 SER 529 10.243 -12.438 11.313 626 HG SER 529 HG SER 529 11.011 -14.252 10.154 627 H GLU 530 HN GLU 530 8.230 -11.108 10.600 628 HA GLU 530 HA GLU 530 6.509 -13.369 10.242 629 1HB GLU 530 HB2 GLU 530 4.874 -12.101 11.501 630 2HB GLU 530 HB1 GLU 530 6.446 -11.936 12.269 631 1HG GLU 530 HG2 GLU 530 6.694 -9.726 11.558 632 2HG GLU 530 HG1 GLU 530 5.428 -9.883 10.340 633 H LEU 531 HN LEU 531 7.016 -10.315 8.700 634 HA LEU 531 HA LEU 531 4.590 -10.155 7.256 635 1HB LEU 531 HB2 LEU 531 6.960 -8.613 7.556 636 2HB LEU 531 HB1 LEU 531 6.656 -8.820 5.844 637 HG LEU 531 HG LEU 531 4.238 -8.067 6.433 638 1HD1 LEU 531 HD11 LEU 531 5.600 -6.570 8.622 639 2HD1 LEU 531 HD12 LEU 531 4.947 -8.176 8.944 640 3HD1 LEU 531 HD13 LEU 531 3.883 -6.891 8.374 641 1HD2 LEU 531 HD21 LEU 531 6.240 -6.865 5.232 642 2HD2 LEU 531 HD22 LEU 531 6.225 -5.867 6.687 643 3HD2 LEU 531 HD23 LEU 531 4.782 -5.982 5.680 644 H SER 532 HN SER 532 7.354 -12.130 6.803 645 HA SER 532 HA SER 532 7.676 -12.334 4.102 646 1HB SER 532 HB2 SER 532 8.236 -14.737 4.465 647 2HB SER 532 HB1 SER 532 9.002 -13.669 5.640 648 HG SER 532 HG SER 532 7.914 -14.604 7.175 649 H LEU 533 HN LEU 533 4.922 -13.284 5.962 650 HA LEU 533 HA LEU 533 3.386 -13.696 3.560 651 1HB LEU 533 HB2 LEU 533 4.452 -15.959 4.373 652 2HB LEU 533 HB1 LEU 533 3.195 -15.888 5.591 653 HG LEU 533 HG LEU 533 2.247 -17.215 3.935 654 1HD1 LEU 533 HD11 LEU 533 0.573 -15.762 2.720 655 2HD1 LEU 533 HD12 LEU 533 1.371 -14.377 3.459 656 3HD1 LEU 533 HD13 LEU 533 0.611 -15.598 4.475 657 1HD2 LEU 533 HD21 LEU 533 3.859 -15.554 2.118 658 2HD2 LEU 533 HD22 LEU 533 2.319 -16.123 1.475 659 3HD2 LEU 533 HD23 LEU 533 3.508 -17.282 2.073 660 H LEU 534 HN LEU 534 3.186 -11.609 5.233 661 HA LEU 534 HA LEU 534 1.447 -12.024 7.416 662 1HB LEU 534 HB2 LEU 534 2.081 -9.942 7.844 663 2HB LEU 534 HB1 LEU 534 2.872 -9.869 6.283 664 HG LEU 534 HG LEU 534 0.630 -9.163 5.329 665 1HD1 LEU 534 HD11 LEU 534 -0.134 -8.193 8.012 666 2HD1 LEU 534 HD12 LEU 534 -0.403 -9.904 7.681 667 3HD1 LEU 534 HD13 LEU 534 -1.142 -8.678 6.650 668 1HD2 LEU 534 HD21 LEU 534 2.492 -7.623 5.667 669 2HD2 LEU 534 HD22 LEU 534 1.978 -7.359 7.333 670 3HD2 LEU 534 HD23 LEU 534 0.949 -6.837 5.998 671 H LEU 535 HN LEU 535 0.921 -11.163 4.053 672 HA LEU 535 HA LEU 535 -1.735 -12.196 4.166 673 1HB LEU 535 HB2 LEU 535 -3.014 -10.296 3.864 674 2HB LEU 535 HB1 LEU 535 -1.833 -9.771 5.043 675 HG LEU 535 HG LEU 535 -2.034 -9.021 2.138 676 1HD1 LEU 535 HD11 LEU 535 -1.898 -7.446 4.700 677 2HD1 LEU 535 HD12 LEU 535 -3.319 -7.696 3.687 678 3HD1 LEU 535 HD13 LEU 535 -1.958 -6.753 3.081 679 1HD2 LEU 535 HD21 LEU 535 0.104 -8.162 2.065 680 2HD2 LEU 535 HD22 LEU 535 0.366 -9.657 2.956 681 3HD2 LEU 535 HD23 LEU 535 0.267 -8.126 3.818 682 H ILE 536 HN ILE 536 -0.034 -13.358 2.742 683 HA ILE 536 HA ILE 536 -0.580 -12.536 -0.008 684 HB ILE 536 HB ILE 536 1.635 -12.585 -0.732 685 1HG1 ILE 536 HG12 ILE 536 2.269 -13.998 1.858 686 2HG1 ILE 536 HG11 ILE 536 2.494 -14.594 0.219 687 1HG2 ILE 536 HG21 ILE 536 2.017 -11.448 2.020 688 2HG2 ILE 536 HG22 ILE 536 0.973 -10.676 0.822 689 3HG2 ILE 536 HG23 ILE 536 2.690 -10.893 0.484 690 1HD1 ILE 536 HD11 ILE 536 4.074 -12.463 1.627 691 2HD1 ILE 536 HD12 ILE 536 4.216 -12.813 -0.097 692 3HD1 ILE 536 HD13 ILE 536 4.629 -14.050 1.091 693 H ALA 537 HN ALA 537 1.043 -14.462 -1.241 694 HA ALA 537 HA ALA 537 0.379 -17.057 -0.158 695 1HB ALA 537 HB1 ALA 537 -0.643 -16.742 -2.902 696 2HB ALA 537 HB2 ALA 537 -1.572 -15.929 -1.643 697 3HB ALA 537 HB3 ALA 537 -1.290 -17.667 -1.547 698 H ASP 538 HN ASP 538 0.801 -18.654 -2.285 699 HA ASP 538 HA ASP 538 3.581 -18.581 -2.624 700 1HB ASP 538 HB2 ASP 538 3.128 -20.317 -4.431 701 2HB ASP 538 HB1 ASP 538 2.519 -20.689 -2.821 702 H ASP 539 HN ASP 539 1.140 -16.829 -4.231 703 HA ASP 539 HA ASP 539 3.088 -15.962 -6.250 704 1HB ASP 539 HB2 ASP 539 0.362 -17.049 -6.650 705 2HB ASP 539 HB1 ASP 539 0.827 -15.680 -7.653 706 H VAL 540 HN VAL 540 1.724 -14.917 -3.636 707 HA VAL 540 HA VAL 540 1.196 -12.881 -2.800 708 HB VAL 540 HB VAL 540 2.322 -12.102 -5.461 709 1HG1 VAL 540 HG11 VAL 540 2.020 -9.661 -4.301 710 2HG1 VAL 540 HG12 VAL 540 0.492 -10.421 -3.876 711 3HG1 VAL 540 HG13 VAL 540 0.972 -10.299 -5.564 712 1HG2 VAL 540 HG21 VAL 540 3.065 -11.818 -2.586 713 2HG2 VAL 540 HG22 VAL 540 3.743 -10.713 -3.781 714 3HG2 VAL 540 HG23 VAL 540 4.008 -12.449 -3.936 715 H SER 541 HN SER 541 -0.597 -11.717 -2.524 716 HA SER 541 HA SER 541 -2.933 -12.382 -4.037 717 1HB SER 541 HB2 SER 541 -2.615 -11.819 -1.442 718 2HB SER 541 HB1 SER 541 -2.908 -10.173 -2.012 719 HG SER 541 HG SER 541 -4.759 -11.716 -1.381 720 H GLU 542 HN GLU 542 -1.867 -11.604 -5.977 721 HA GLU 542 HA GLU 542 -1.000 -9.109 -6.561 722 1HB GLU 542 HB2 GLU 542 -1.111 -9.731 -8.775 723 2HB GLU 542 HB1 GLU 542 -1.093 -11.270 -7.923 724 1HG GLU 542 HG2 GLU 542 -3.626 -9.950 -8.873 725 2HG GLU 542 HG1 GLU 542 -2.702 -11.092 -9.847 726 H GLN 543 HN GLN 543 -4.435 -10.124 -6.669 727 HA GLN 543 HA GLN 543 -5.483 -7.813 -7.805 728 1HB GLN 543 HB2 GLN 543 -6.535 -10.077 -6.582 729 2HB GLN 543 HB1 GLN 543 -7.086 -8.763 -5.551 730 1HG GLN 543 HG2 GLN 543 -8.797 -8.765 -7.018 731 2HG GLN 543 HG1 GLN 543 -7.707 -7.703 -7.907 732 1HE2 GLN 543 HE21 GLN 543 -8.011 -11.214 -7.464 733 2HE2 GLN 543 HE22 GLN 543 -7.980 -11.600 -9.148 734 H GLU 544 HN GLU 544 -4.831 -8.541 -4.405 735 HA GLU 544 HA GLU 544 -5.503 -5.995 -3.395 736 1HB GLU 544 HB2 GLU 544 -3.407 -7.766 -2.161 737 2HB GLU 544 HB1 GLU 544 -4.550 -6.699 -1.360 738 1HG GLU 544 HG2 GLU 544 -6.364 -8.256 -2.230 739 2HG GLU 544 HG1 GLU 544 -5.057 -9.375 -2.609 740 H LEU 545 HN LEU 545 -2.592 -7.393 -4.770 741 HA LEU 545 HA LEU 545 -0.682 -5.512 -4.057 742 1HB LEU 545 HB2 LEU 545 -0.415 -7.703 -5.365 743 2HB LEU 545 HB1 LEU 545 -0.785 -6.751 -6.790 744 HG LEU 545 HG LEU 545 1.163 -5.332 -6.371 745 1HD1 LEU 545 HD11 LEU 545 1.276 -5.413 -3.974 746 2HD1 LEU 545 HD12 LEU 545 2.794 -6.014 -4.637 747 3HD1 LEU 545 HD13 LEU 545 1.599 -7.147 -4.007 748 1HD2 LEU 545 HD21 LEU 545 1.879 -8.259 -6.307 749 2HD2 LEU 545 HD22 LEU 545 2.871 -6.940 -6.931 750 3HD2 LEU 545 HD23 LEU 545 1.368 -7.375 -7.744 751 H GLU 546 HN GLU 546 -2.852 -5.519 -6.871 752 HA GLU 546 HA GLU 546 -1.979 -3.062 -7.933 753 1HB GLU 546 HB2 GLU 546 -3.709 -4.959 -8.784 754 2HB GLU 546 HB1 GLU 546 -4.852 -3.754 -8.208 755 1HG GLU 546 HG2 GLU 546 -4.653 -2.998 -10.317 756 2HG GLU 546 HG1 GLU 546 -3.253 -2.168 -9.640 757 H ASP 547 HN ASP 547 -4.168 -3.951 -5.360 758 HA ASP 547 HA ASP 547 -5.388 -1.391 -5.041 759 1HB ASP 547 HB2 ASP 547 -6.129 -3.711 -4.119 760 2HB ASP 547 HB1 ASP 547 -5.036 -3.348 -2.787 761 H TYR 548 HN TYR 548 -2.442 -2.855 -3.912 762 HA TYR 548 HA TYR 548 -1.813 -1.083 -1.799 763 1HB TYR 548 HB2 TYR 548 -0.108 -2.778 -3.608 764 2HB TYR 548 HB1 TYR 548 0.589 -1.760 -2.359 765 HD1 TYR 548 HD1 TYR 548 0.712 -2.498 -0.159 766 HD2 TYR 548 HD2 TYR 548 -1.703 -4.567 -2.931 767 HE1 TYR 548 HE1 TYR 548 0.416 -4.296 1.462 768 HE2 TYR 548 HE2 TYR 548 -2.051 -6.379 -1.341 769 HH TYR 548 HH TYR 548 -1.942 -6.763 1.062 770 H ILE 549 HN ILE 549 -0.356 -1.270 -5.010 771 HA ILE 549 HA ILE 549 1.087 1.069 -4.909 772 HB ILE 549 HB ILE 549 0.004 0.733 -7.590 773 1HG1 ILE 549 HG12 ILE 549 -0.385 -1.595 -6.846 774 2HG1 ILE 549 HG11 ILE 549 0.885 -1.492 -8.060 775 1HG2 ILE 549 HG21 ILE 549 2.533 0.171 -7.893 776 2HG2 ILE 549 HG22 ILE 549 2.650 0.744 -6.229 777 3HG2 ILE 549 HG23 ILE 549 2.017 1.808 -7.486 778 1HD1 ILE 549 HD11 ILE 549 1.617 -1.481 -5.172 779 2HD1 ILE 549 HD12 ILE 549 2.542 -2.035 -6.567 780 3HD1 ILE 549 HD13 ILE 549 1.188 -2.996 -5.968 781 H ARG 550 HN ARG 550 -2.282 0.565 -5.819 782 HA ARG 550 HA ARG 550 -2.869 3.118 -6.785 783 1HB ARG 550 HB2 ARG 550 -4.396 0.822 -5.744 784 2HB ARG 550 HB1 ARG 550 -5.208 2.373 -5.590 785 1HG ARG 550 HG2 ARG 550 -5.747 1.113 -7.669 786 2HG ARG 550 HG1 ARG 550 -5.130 2.740 -7.940 787 1HD ARG 550 HD2 ARG 550 -3.272 1.996 -8.967 788 2HD ARG 550 HD1 ARG 550 -3.077 0.643 -7.856 789 HE ARG 550 HE ARG 550 -5.150 -0.191 -9.288 790 1HH1 ARG 550 HH11 ARG 550 -2.149 1.267 -10.329 791 2HH1 ARG 550 HH12 ARG 550 -2.148 0.460 -11.860 792 1HH2 ARG 550 HH21 ARG 550 -5.142 -1.251 -11.299 793 2HH2 ARG 550 HH22 ARG 550 -3.844 -0.969 -12.412 794 H HIS 551 HN HIS 551 -2.897 1.837 -3.485 795 HA HIS 551 HA HIS 551 -3.906 4.222 -2.291 796 1HB HIS 551 HB2 HIS 551 -2.943 1.601 -1.384 797 2HB HIS 551 HB1 HIS 551 -2.601 2.914 -0.262 798 HD1 HIS 551 HD1 HIS 551 -4.945 0.440 -0.519 799 HD2 HIS 551 HD2 HIS 551 -5.321 4.569 -0.258 800 HE1 HIS 551 HE1 HIS 551 -7.272 0.849 0.340 801 HE2 HIS 551 HE2 HIS 551 -7.508 3.357 0.403 802 H VAL 552 HN VAL 552 -0.653 2.789 -2.464 803 HA VAL 552 HA VAL 552 0.775 4.652 -1.028 804 HB VAL 552 HB VAL 552 1.771 3.349 -3.560 805 1HG1 VAL 552 HG11 VAL 552 3.009 4.875 -1.377 806 2HG1 VAL 552 HG12 VAL 552 3.553 4.613 -3.035 807 3HG1 VAL 552 HG13 VAL 552 3.841 3.381 -1.807 808 1HG2 VAL 552 HG21 VAL 552 2.564 1.935 -1.221 809 2HG2 VAL 552 HG22 VAL 552 1.597 1.363 -2.581 810 3HG2 VAL 552 HG23 VAL 552 0.810 2.114 -1.194 811 H LEU 553 HN LEU 553 -0.530 4.949 -4.248 812 HA LEU 553 HA LEU 553 0.970 6.980 -5.333 813 1HB LEU 553 HB2 LEU 553 -0.916 5.717 -6.403 814 2HB LEU 553 HB1 LEU 553 -2.029 6.756 -5.539 815 HG LEU 553 HG LEU 553 -1.314 7.215 -8.054 816 1HD1 LEU 553 HD11 LEU 553 -2.099 9.434 -7.799 817 2HD1 LEU 553 HD12 LEU 553 -1.597 9.487 -6.110 818 3HD1 LEU 553 HD13 LEU 553 -2.939 8.452 -6.598 819 1HD2 LEU 553 HD21 LEU 553 1.120 7.457 -7.217 820 2HD2 LEU 553 HD22 LEU 553 0.599 9.050 -6.666 821 3HD2 LEU 553 HD23 LEU 553 0.491 8.629 -8.375 822 H ASN 554 HN ASN 554 -1.147 7.160 -2.619 823 HA ASN 554 HA ASN 554 -1.961 8.879 -1.360 824 1HB ASN 554 HB2 ASN 554 -0.258 10.534 -0.715 825 2HB ASN 554 HB1 ASN 554 0.390 8.898 -0.723 826 1HD2 ASN 554 HD21 ASN 554 1.815 8.283 -2.381 827 2HD2 ASN 554 HD22 ASN 554 2.683 9.460 -3.299 828 H ARG 555 HN ARG 555 -3.651 9.531 -2.697 829 HA ARG 555 HA ARG 555 -3.452 12.262 -3.616 830 1HB ARG 555 HB2 ARG 555 -3.679 9.955 -5.479 831 2HB ARG 555 HB1 ARG 555 -4.715 11.334 -5.807 832 1HG ARG 555 HG2 ARG 555 -1.751 11.615 -5.416 833 2HG ARG 555 HG1 ARG 555 -2.471 11.265 -6.986 834 1HD ARG 555 HD2 ARG 555 -3.783 13.311 -6.854 835 2HD ARG 555 HD1 ARG 555 -3.107 13.657 -5.263 836 HE ARG 555 HE ARG 555 -0.903 13.477 -6.774 837 1HH1 ARG 555 HH11 ARG 555 -3.891 15.223 -7.240 838 2HH1 ARG 555 HH12 ARG 555 -3.151 16.490 -8.158 839 1HH2 ARG 555 HH21 ARG 555 0.070 15.146 -7.980 840 2HH2 ARG 555 HH22 ARG 555 -0.904 16.448 -8.578 841 HA PRO 556 HA PRO 556 -7.685 12.403 -2.360 842 1HB PRO 556 HB2 PRO 556 -9.040 13.607 -4.408 843 2HB PRO 556 HB1 PRO 556 -8.005 14.478 -3.273 844 1HG PRO 556 HG2 PRO 556 -7.403 13.531 -6.044 845 2HG PRO 556 HG1 PRO 556 -6.974 15.066 -5.265 846 1HD PRO 556 HD2 PRO 556 -5.209 13.050 -5.549 847 2HD PRO 556 HD1 PRO 556 -5.173 14.142 -4.154 848 H LYS 557 HN LYS 557 -7.325 9.920 -2.913 849 HA LYS 557 HA LYS 557 -8.228 7.956 -3.591 850 1HB LYS 557 HB2 LYS 557 -10.652 9.739 -3.810 851 2HB LYS 557 HB1 LYS 557 -10.716 7.992 -3.996 852 1HG LYS 557 HG2 LYS 557 -11.340 8.435 -1.771 853 2HG LYS 557 HG1 LYS 557 -9.683 7.831 -1.698 854 1HD LYS 557 HD2 LYS 557 -8.810 9.904 -1.175 855 2HD LYS 557 HD1 LYS 557 -10.177 10.772 -1.877 856 1HE LYS 557 HE2 LYS 557 -11.502 9.556 0.043 857 2HE LYS 557 HE1 LYS 557 -9.909 9.478 0.793 858 1HZ LYS 557 HZ1 LYS 557 -9.985 12.029 0.028 859 2HZ LYS 557 HZ2 LYS 557 -10.486 11.495 1.553 860 3HZ LYS 557 HZ3 LYS 557 -11.628 11.767 0.336 861 H TRP 558 HN TRP 558 -6.884 9.527 -5.592 862 HA TRP 558 HA TRP 558 -8.345 9.442 -8.041 863 1HB TRP 558 HB2 TRP 558 -5.919 10.527 -7.186 864 2HB TRP 558 HB1 TRP 558 -5.460 9.305 -8.367 865 HD1 TRP 558 HD1 TRP 558 -6.097 12.812 -8.276 866 HE1 TRP 558 HE1 TRP 558 -6.886 13.732 -10.548 867 HE3 TRP 558 HE3 TRP 558 -7.361 8.406 -10.541 868 HZ2 TRP 558 HZ2 TRP 558 -7.906 12.722 -12.978 869 HZ3 TRP 558 HZ3 TRP 558 -8.234 8.470 -12.840 870 HH2 TRP 558 HH2 TRP 558 -8.502 10.584 -14.032 871 H LEU 559 HN LEU 559 -5.684 7.478 -6.748 872 HA LEU 559 HA LEU 559 -5.913 5.516 -8.807 873 1HB LEU 559 HB2 LEU 559 -4.311 5.859 -6.330 874 2HB LEU 559 HB1 LEU 559 -4.470 4.236 -6.972 875 HG LEU 559 HG LEU 559 -2.429 5.612 -7.689 876 1HD1 LEU 559 HD11 LEU 559 -2.442 3.796 -8.990 877 2HD1 LEU 559 HD12 LEU 559 -3.094 4.870 -10.227 878 3HD1 LEU 559 HD13 LEU 559 -4.183 3.880 -9.255 879 1HD2 LEU 559 HD21 LEU 559 -4.412 6.825 -9.602 880 2HD2 LEU 559 HD22 LEU 559 -2.692 7.182 -9.455 881 3HD2 LEU 559 HD23 LEU 559 -3.804 7.662 -8.174 882 H MET 560 HN MET 560 -7.238 5.952 -5.605 883 HA MET 560 HA MET 560 -8.144 3.333 -5.124 884 1HB MET 560 HB2 MET 560 -8.150 5.399 -3.556 885 2HB MET 560 HB1 MET 560 -9.692 5.782 -4.308 886 1HG MET 560 HG2 MET 560 -10.280 4.625 -2.388 887 2HG MET 560 HG1 MET 560 -10.387 3.409 -3.660 888 1HE MET 560 HE1 MET 560 -9.104 1.718 -4.126 889 2HE MET 560 HE2 MET 560 -8.566 0.688 -2.798 890 3HE MET 560 HE3 MET 560 -7.388 1.611 -3.731 891 H LEU 561 HN LEU 561 -9.487 6.044 -6.879 892 HA LEU 561 HA LEU 561 -11.953 4.803 -7.543 893 1HB LEU 561 HB2 LEU 561 -11.833 7.203 -7.628 894 2HB LEU 561 HB1 LEU 561 -10.510 7.145 -8.780 895 HG LEU 561 HG LEU 561 -12.025 6.166 -10.461 896 1HD1 LEU 561 HD11 LEU 561 -14.510 6.338 -9.959 897 2HD1 LEU 561 HD12 LEU 561 -14.055 6.438 -8.259 898 3HD1 LEU 561 HD13 LEU 561 -13.638 5.007 -9.198 899 1HD2 LEU 561 HD21 LEU 561 -12.476 8.826 -9.240 900 2HD2 LEU 561 HD22 LEU 561 -13.639 8.271 -10.444 901 3HD2 LEU 561 HD23 LEU 561 -11.932 8.395 -10.861 902 H LYS 562 HN LYS 562 -8.736 4.868 -8.927 903 HA LYS 562 HA LYS 562 -9.320 3.914 -11.500 904 1HB LYS 562 HB2 LYS 562 -7.060 4.692 -10.475 905 2HB LYS 562 HB1 LYS 562 -6.891 3.018 -9.968 906 1HG LYS 562 HG2 LYS 562 -7.470 3.691 -12.822 907 2HG LYS 562 HG1 LYS 562 -5.825 3.770 -12.187 908 1HD LYS 562 HD2 LYS 562 -5.633 1.528 -12.061 909 2HD LYS 562 HD1 LYS 562 -7.297 1.315 -11.516 910 1HE LYS 562 HE2 LYS 562 -6.524 1.967 -14.354 911 2HE LYS 562 HE1 LYS 562 -6.789 0.328 -13.760 912 1HZ LYS 562 HZ1 LYS 562 -8.726 1.480 -14.889 913 2HZ LYS 562 HZ2 LYS 562 -8.852 2.433 -13.497 914 3HZ LYS 562 HZ3 LYS 562 -9.042 0.756 -13.392 915 H VAL 563 HN VAL 563 -8.745 2.241 -8.448 916 HA VAL 563 HA VAL 563 -8.953 -0.413 -9.377 917 HB VAL 563 HB VAL 563 -9.408 0.936 -6.718 918 1HG1 VAL 563 HG11 VAL 563 -10.895 -0.688 -6.208 919 2HG1 VAL 563 HG12 VAL 563 -9.451 -1.681 -6.010 920 3HG1 VAL 563 HG13 VAL 563 -10.361 -1.739 -7.520 921 1HG2 VAL 563 HG21 VAL 563 -7.581 -1.217 -6.559 922 2HG2 VAL 563 HG22 VAL 563 -7.237 0.510 -6.497 923 3HG2 VAL 563 HG23 VAL 563 -7.211 -0.338 -8.042 924 H LYS 564 HN LYS 564 -11.250 1.970 -8.228 925 HA LYS 564 HA LYS 564 -13.583 0.372 -8.457 926 1HB LYS 564 HB2 LYS 564 -12.952 3.205 -7.932 927 2HB LYS 564 HB1 LYS 564 -14.505 2.926 -8.706 928 1HG LYS 564 HG2 LYS 564 -14.702 3.021 -6.276 929 2HG LYS 564 HG1 LYS 564 -15.165 1.440 -6.908 930 1HD LYS 564 HD2 LYS 564 -13.806 0.662 -5.290 931 2HD LYS 564 HD1 LYS 564 -12.524 1.049 -6.439 932 1HE LYS 564 HE2 LYS 564 -11.809 2.049 -4.461 933 2HE LYS 564 HE1 LYS 564 -12.540 3.380 -5.357 934 1HZ LYS 564 HZ1 LYS 564 -14.230 1.860 -3.510 935 2HZ LYS 564 HZ2 LYS 564 -14.295 3.496 -3.933 936 3HZ LYS 564 HZ3 LYS 564 -13.115 2.950 -2.853 937 H GLU 565 HN GLU 565 -11.609 2.072 -10.702 938 HA GLU 565 HA GLU 565 -13.484 2.582 -12.743 939 1HB GLU 565 HB2 GLU 565 -10.753 2.981 -12.396 940 2HB GLU 565 HB1 GLU 565 -10.851 1.829 -13.727 941 1HG GLU 565 HG2 GLU 565 -12.708 4.081 -13.945 942 2HG GLU 565 HG1 GLU 565 -11.007 4.539 -13.965 943 H GLN 566 HN GLN 566 -11.367 -0.136 -12.016 944 HA GLN 566 HA GLN 566 -12.114 -1.628 -14.302 945 1HB GLN 566 HB2 GLN 566 -10.720 -2.316 -11.726 946 2HB GLN 566 HB1 GLN 566 -11.152 -3.575 -12.875 947 1HG GLN 566 HG2 GLN 566 -9.773 -2.622 -14.561 948 2HG GLN 566 HG1 GLN 566 -9.498 -1.173 -13.596 949 1HE2 GLN 566 HE21 GLN 566 -8.524 -1.650 -11.388 950 2HE2 GLN 566 HE22 GLN 566 -7.224 -2.786 -11.359 951 H GLU 567 HN GLU 567 -13.306 -1.512 -10.960 952 HA GLU 567 HA GLU 567 -15.093 -3.720 -11.268 953 1HB GLU 567 HB2 GLU 567 -15.114 -1.502 -9.209 954 2HB GLU 567 HB1 GLU 567 -16.000 -3.017 -9.106 955 1HG GLU 567 HG2 GLU 567 -13.985 -4.268 -8.888 956 2HG GLU 567 HG1 GLU 567 -13.002 -2.848 -9.244 957 H LYS 568 HN LYS 568 -15.249 -0.243 -11.507 958 HA LYS 568 HA LYS 568 -18.048 -0.088 -11.870 959 1HB LYS 568 HB2 LYS 568 -17.769 2.212 -12.182 960 2HB LYS 568 HB1 LYS 568 -16.470 1.774 -11.092 961 1HG LYS 568 HG2 LYS 568 -15.407 3.153 -12.593 962 2HG LYS 568 HG1 LYS 568 -15.064 1.556 -13.248 963 1HD LYS 568 HD2 LYS 568 -16.332 1.890 -15.093 964 2HD LYS 568 HD1 LYS 568 -17.538 2.835 -14.216 965 1HE LYS 568 HE2 LYS 568 -15.418 4.506 -14.107 966 2HE LYS 568 HE1 LYS 568 -15.112 3.702 -15.645 967 1HZ LYS 568 HZ1 LYS 568 -16.429 5.488 -16.233 968 2HZ LYS 568 HZ2 LYS 568 -17.407 5.374 -14.858 969 3HZ LYS 568 HZ3 LYS 568 -17.567 4.243 -16.105 970 H THR 569 HN THR 569 -15.281 -0.293 -13.980 971 HA THR 569 HA THR 569 -16.722 0.147 -16.398 972 HB THR 569 HB THR 569 -14.012 -0.948 -15.734 973 HG1 THR 569 HG1 THR 569 -14.778 1.440 -17.044 974 1HG2 THR 569 HG21 THR 569 -15.333 -1.292 -18.224 975 2HG2 THR 569 HG22 THR 569 -13.693 -1.743 -17.752 976 3HG2 THR 569 HG23 THR 569 -14.010 -0.141 -18.418 977 H GLU 570 HN GLU 570 -15.239 -2.770 -14.954 978 HA GLU 570 HA GLU 570 -16.039 -4.647 -16.806 979 1HB GLU 570 HB2 GLU 570 -14.575 -4.922 -14.698 980 2HB GLU 570 HB1 GLU 570 -16.085 -5.241 -13.857 981 1HG GLU 570 HG2 GLU 570 -16.361 -6.943 -15.899 982 2HG GLU 570 HG1 GLU 570 -14.602 -6.897 -15.797 983 H ALA 571 HN ALA 571 -17.771 -3.729 -13.839 984 HA ALA 571 HA ALA 571 -20.069 -5.262 -14.422 985 1HB ALA 571 HB1 ALA 571 -19.256 -3.429 -12.342 986 2HB ALA 571 HB2 ALA 571 -20.374 -4.787 -12.276 987 3HB ALA 571 HB3 ALA 571 -20.950 -3.201 -12.787 988 H GLU 572 HN GLU 572 -19.018 -2.059 -15.402 989 HA GLU 572 HA GLU 572 -21.475 -0.931 -16.086 990 1HB GLU 572 HB2 GLU 572 -18.910 -0.125 -16.352 991 2HB GLU 572 HB1 GLU 572 -19.267 -0.525 -18.023 992 1HG GLU 572 HG2 GLU 572 -21.261 1.126 -16.601 993 2HG GLU 572 HG1 GLU 572 -19.710 1.882 -16.965 994 H ARG 573 HN ARG 573 -19.377 -3.029 -18.031 995 HA ARG 573 HA ARG 573 -21.203 -3.121 -20.237 996 1HB ARG 573 HB2 ARG 573 -19.656 -4.861 -21.116 997 2HB ARG 573 HB1 ARG 573 -18.861 -3.351 -20.694 998 1HG ARG 573 HG2 ARG 573 -18.015 -4.305 -18.655 999 2HG ARG 573 HG1 ARG 573 -18.923 -5.792 -18.934 1000 1HD ARG 573 HD2 ARG 573 -17.475 -5.488 -21.259 1001 2HD ARG 573 HD1 ARG 573 -16.357 -4.935 -20.012 1002 HE ARG 573 HE ARG 573 -16.112 -7.104 -19.370 1003 1HH1 ARG 573 HH11 ARG 573 -19.142 -6.811 -21.075 1004 2HH1 ARG 573 HH12 ARG 573 -19.488 -8.507 -21.008 1005 1HH2 ARG 573 HH21 ARG 573 -16.565 -9.336 -19.280 1006 2HH2 ARG 573 HH22 ARG 573 -18.025 -9.940 -19.989 1007 H ARG 574 HN ARG 574 -20.313 -5.382 -17.647 1008 HA ARG 574 HA ARG 574 -22.113 -7.409 -18.598 1009 1HB ARG 574 HB2 ARG 574 -19.935 -7.267 -16.789 1010 2HB ARG 574 HB1 ARG 574 -21.318 -7.882 -15.894 1011 1HG ARG 574 HG2 ARG 574 -20.246 -9.020 -18.468 1012 2HG ARG 574 HG1 ARG 574 -19.986 -9.683 -16.854 1013 1HD ARG 574 HD2 ARG 574 -22.512 -9.822 -16.661 1014 2HD ARG 574 HD1 ARG 574 -22.564 -9.483 -18.391 1015 HE ARG 574 HE ARG 574 -20.863 -11.580 -18.221 1016 1HH1 ARG 574 HH11 ARG 574 -24.086 -11.017 -17.011 1017 2HH1 ARG 574 HH12 ARG 574 -24.543 -12.685 -17.090 1018 1HH2 ARG 574 HH21 ARG 574 -21.460 -13.775 -18.328 1019 2HH2 ARG 574 HH22 ARG 574 -23.053 -14.252 -17.838 1020 H LYS 575 HN LYS 575 -22.313 -4.806 -16.284 1021 HA LYS 575 HA LYS 575 -24.047 -4.010 -15.040 1022 1HB LYS 575 HB2 LYS 575 -25.643 -5.913 -16.767 1023 2HB LYS 575 HB1 LYS 575 -26.363 -4.787 -15.628 1024 1HG LYS 575 HG2 LYS 575 -26.239 -3.121 -17.083 1025 2HG LYS 575 HG1 LYS 575 -24.525 -3.423 -17.373 1026 1HD LYS 575 HD2 LYS 575 -24.940 -4.833 -19.158 1027 2HD LYS 575 HD1 LYS 575 -26.573 -5.216 -18.607 1028 1HE LYS 575 HE2 LYS 575 -27.369 -3.053 -19.264 1029 2HE LYS 575 HE1 LYS 575 -25.731 -2.506 -19.621 1030 1HZ LYS 575 HZ1 LYS 575 -25.722 -3.546 -21.600 1031 2HZ LYS 575 HZ2 LYS 575 -27.405 -3.441 -21.463 1032 3HZ LYS 575 HZ3 LYS 575 -26.611 -4.876 -21.048 1033 H ASP 576 HN ASP 576 -23.969 -4.512 -12.955 1034 HA ASP 576 HA ASP 576 -24.105 -7.295 -12.119 1035 1HB ASP 576 HB2 ASP 576 -22.516 -5.309 -11.272 1036 2HB ASP 576 HB1 ASP 576 -23.831 -5.122 -10.114 1037 H PHE 577 HN PHE 577 -25.783 -8.236 -11.190 1038 HA PHE 577 HA PHE 577 -27.921 -8.600 -10.515 1039 1HB PHE 577 HB2 PHE 577 -26.722 -6.633 -8.745 1040 2HB PHE 577 HB1 PHE 577 -28.478 -6.497 -8.777 1041 HD1 PHE 577 HD1 PHE 577 -25.639 -8.610 -7.880 1042 HD2 PHE 577 HD2 PHE 577 -29.881 -8.290 -7.969 1043 HE1 PHE 577 HE1 PHE 577 -25.813 -10.522 -6.341 1044 HE2 PHE 577 HE2 PHE 577 -30.062 -10.200 -6.429 1045 HZ PHE 577 HZ PHE 577 -28.026 -11.319 -5.613 1046 H LEU 578 HN LEU 578 -28.287 -5.110 -10.117 1047 HA LEU 578 HA LEU 578 -30.677 -5.170 -11.711 1048 1HB LEU 578 HB2 LEU 578 -29.924 -3.691 -9.588 1049 2HB LEU 578 HB1 LEU 578 -29.535 -2.571 -10.879 1050 HG LEU 578 HG LEU 578 -31.878 -2.777 -11.703 1051 1HD1 LEU 578 HD11 LEU 578 -32.015 -5.032 -10.231 1052 2HD1 LEU 578 HD12 LEU 578 -33.425 -4.113 -10.761 1053 3HD1 LEU 578 HD13 LEU 578 -32.786 -3.886 -9.133 1054 1HD2 LEU 578 HD21 LEU 578 -30.901 -1.141 -9.841 1055 2HD2 LEU 578 HD22 LEU 578 -32.133 -1.948 -8.871 1056 3HD2 LEU 578 HD23 LEU 578 -32.588 -1.100 -10.349 1057 H THR 579 HN THR 579 -27.923 -2.904 -11.898 1058 HA THR 579 HA THR 579 -27.323 -3.438 -14.597 1059 HB THR 579 HB THR 579 -28.371 -0.788 -14.846 1060 HG1 THR 579 HG1 THR 579 -30.289 -0.906 -14.035 1061 1HG2 THR 579 HG21 THR 579 -28.132 -2.966 -16.452 1062 2HG2 THR 579 HG22 THR 579 -29.048 -1.510 -16.839 1063 3HG2 THR 579 HG23 THR 579 -29.869 -2.915 -16.162 1064 H ALA 580 HN ALA 580 -26.559 -0.860 -15.430 1065 HA ALA 580 HA ALA 580 -24.056 -0.576 -14.253 1066 1HB ALA 580 HB1 ALA 580 -25.687 1.006 -16.147 1067 2HB ALA 580 HB2 ALA 580 -24.054 0.359 -16.315 1068 3HB ALA 580 HB3 ALA 580 -24.329 1.826 -15.376 1069 H ALA 581 HN ALA 581 -27.026 0.350 -12.943 1070 HA ALA 581 HA ALA 581 -26.626 2.789 -11.763 1071 1HB ALA 581 HB1 ALA 581 -28.726 2.023 -11.354 1072 2HB ALA 581 HB2 ALA 581 -27.986 1.633 -9.801 1073 3HB ALA 581 HB3 ALA 581 -28.183 0.377 -11.024 1074 H ARG 582 HN ARG 582 -25.147 -0.276 -10.881 1075 HA ARG 582 HA ARG 582 -24.197 0.626 -8.331 1076 1HB ARG 582 HB2 ARG 582 -23.173 -1.633 -10.069 1077 2HB ARG 582 HB1 ARG 582 -22.805 -1.390 -8.367 1078 1HG ARG 582 HG2 ARG 582 -25.521 -1.441 -8.322 1079 2HG ARG 582 HG1 ARG 582 -25.166 -2.562 -9.638 1080 1HD ARG 582 HD2 ARG 582 -24.472 -4.132 -8.219 1081 2HD ARG 582 HD1 ARG 582 -23.416 -2.998 -7.379 1082 HE ARG 582 HE ARG 582 -25.862 -2.352 -6.440 1083 1HH1 ARG 582 HH11 ARG 582 -24.142 -5.378 -6.698 1084 2HH1 ARG 582 HH12 ARG 582 -24.903 -6.073 -5.307 1085 1HH2 ARG 582 HH21 ARG 582 -26.865 -3.264 -4.611 1086 2HH2 ARG 582 HH22 ARG 582 -26.450 -4.873 -4.121 1087 H ILE 583 HN ILE 583 -22.887 0.339 -11.578 1088 HA ILE 583 HA ILE 583 -20.277 1.216 -11.063 1089 HB ILE 583 HB ILE 583 -21.942 1.494 -13.569 1090 1HG1 ILE 583 HG12 ILE 583 -21.794 -0.809 -13.129 1091 2HG1 ILE 583 HG11 ILE 583 -20.493 -0.508 -14.269 1092 1HG2 ILE 583 HG21 ILE 583 -18.952 1.635 -13.305 1093 2HG2 ILE 583 HG22 ILE 583 -20.011 3.022 -13.530 1094 3HG2 ILE 583 HG23 ILE 583 -19.890 1.791 -14.786 1095 1HD1 ILE 583 HD11 ILE 583 -20.369 -1.682 -11.684 1096 2HD1 ILE 583 HD12 ILE 583 -19.413 -0.211 -11.674 1097 3HD1 ILE 583 HD13 ILE 583 -19.070 -1.466 -12.858 1098 H ALA 584 HN ALA 584 -23.237 2.968 -11.872 1099 HA ALA 584 HA ALA 584 -22.136 5.523 -12.167 1100 1HB ALA 584 HB1 ALA 584 -24.551 6.105 -11.130 1101 2HB ALA 584 HB2 ALA 584 -24.818 4.425 -11.594 1102 3HB ALA 584 HB3 ALA 584 -24.309 5.604 -12.804 1103 H LYS 585 HN LYS 585 -23.391 3.846 -9.308 1104 HA LYS 585 HA LYS 585 -23.074 5.833 -7.406 1105 1HB LYS 585 HB2 LYS 585 -23.326 2.922 -7.410 1106 2HB LYS 585 HB1 LYS 585 -22.387 3.525 -6.050 1107 1HG LYS 585 HG2 LYS 585 -24.779 3.284 -5.534 1108 2HG LYS 585 HG1 LYS 585 -24.206 4.945 -5.361 1109 1HD LYS 585 HD2 LYS 585 -25.218 5.597 -7.410 1110 2HD LYS 585 HD1 LYS 585 -25.549 3.921 -7.855 1111 1HE LYS 585 HE2 LYS 585 -27.608 4.427 -7.072 1112 2HE LYS 585 HE1 LYS 585 -26.866 4.029 -5.523 1113 1HZ LYS 585 HZ1 LYS 585 -28.156 6.278 -5.914 1114 2HZ LYS 585 HZ2 LYS 585 -26.637 6.787 -6.456 1115 3HZ LYS 585 HZ3 LYS 585 -26.816 6.190 -4.884 1116 H GLU 586 HN GLU 586 -20.707 3.654 -8.810 1117 HA GLU 586 HA GLU 586 -18.593 4.193 -7.018 1118 1HB GLU 586 HB2 GLU 586 -18.462 3.333 -9.912 1119 2HB GLU 586 HB1 GLU 586 -17.136 3.247 -8.759 1120 1HG GLU 586 HG2 GLU 586 -19.703 1.873 -8.133 1121 2HG GLU 586 HG1 GLU 586 -18.588 1.146 -9.289 1122 H MET 587 HN MET 587 -19.497 5.701 -10.115 1123 HA MET 587 HA MET 587 -17.242 7.449 -10.176 1124 1HB MET 587 HB2 MET 587 -19.500 6.864 -11.855 1125 2HB MET 587 HB1 MET 587 -19.351 8.605 -11.675 1126 1HG MET 587 HG2 MET 587 -18.153 7.645 -13.634 1127 2HG MET 587 HG1 MET 587 -17.150 8.600 -12.546 1128 1HE MET 587 HE1 MET 587 -17.410 4.073 -12.681 1129 2HE MET 587 HE2 MET 587 -18.699 5.239 -12.401 1130 3HE MET 587 HE3 MET 587 -17.665 4.733 -11.065 1131 H ILE 588 HN ILE 588 -20.445 7.684 -8.818 1132 HA ILE 588 HA ILE 588 -20.242 10.503 -8.303 1133 HB ILE 588 HB ILE 588 -22.452 10.239 -8.134 1134 1HG1 ILE 588 HG12 ILE 588 -21.726 10.626 -5.730 1135 2HG1 ILE 588 HG11 ILE 588 -23.348 9.985 -5.961 1136 1HG2 ILE 588 HG21 ILE 588 -22.704 8.131 -9.014 1137 2HG2 ILE 588 HG22 ILE 588 -23.508 7.996 -7.452 1138 3HG2 ILE 588 HG23 ILE 588 -21.883 7.353 -7.664 1139 1HD1 ILE 588 HD11 ILE 588 -22.883 8.113 -4.848 1140 2HD1 ILE 588 HD12 ILE 588 -21.479 8.995 -4.244 1141 3HD1 ILE 588 HD13 ILE 588 -21.317 7.924 -5.636 1142 H GLU 589 HN GLU 589 -19.219 7.600 -6.794 1143 HA GLU 589 HA GLU 589 -18.825 8.618 -4.180 1144 1HB GLU 589 HB2 GLU 589 -18.304 6.486 -3.729 1145 2HB GLU 589 HB1 GLU 589 -18.607 6.128 -5.420 1146 1HG GLU 589 HG2 GLU 589 -16.279 6.379 -5.947 1147 2HG GLU 589 HG1 GLU 589 -15.927 6.935 -4.312 1148 H MET 590 HN MET 590 -16.608 8.058 -6.904 1149 HA MET 590 HA MET 590 -14.311 9.181 -5.816 1150 1HB MET 590 HB2 MET 590 -13.855 9.886 -8.291 1151 2HB MET 590 HB1 MET 590 -13.889 8.188 -7.854 1152 1HG MET 590 HG2 MET 590 -15.453 7.830 -9.366 1153 2HG MET 590 HG1 MET 590 -16.518 8.939 -8.524 1154 1HE MET 590 HE1 MET 590 -14.783 11.518 -8.717 1155 2HE MET 590 HE2 MET 590 -16.473 11.745 -9.164 1156 3HE MET 590 HE3 MET 590 -15.195 12.333 -10.226 1157 H LYS 591 HN LYS 591 -17.095 10.705 -7.309 1158 HA LYS 591 HA LYS 591 -16.103 13.301 -7.520 1159 1HB LYS 591 HB2 LYS 591 -18.723 12.021 -7.521 1160 2HB LYS 591 HB1 LYS 591 -18.773 13.615 -6.782 1161 1HG LYS 591 HG2 LYS 591 -17.502 14.394 -8.879 1162 2HG LYS 591 HG1 LYS 591 -18.028 12.862 -9.579 1163 1HD LYS 591 HD2 LYS 591 -19.992 14.697 -8.254 1164 2HD LYS 591 HD1 LYS 591 -19.495 14.961 -9.927 1165 1HE LYS 591 HE2 LYS 591 -20.053 12.302 -9.950 1166 2HE LYS 591 HE1 LYS 591 -21.224 12.887 -8.770 1167 1HZ LYS 591 HZ1 LYS 591 -21.037 13.433 -11.632 1168 2HZ LYS 591 HZ2 LYS 591 -21.581 14.692 -10.643 1169 3HZ LYS 591 HZ3 LYS 591 -22.404 13.216 -10.659 1170 H LYS 592 HN LYS 592 -17.723 11.661 -4.832 1171 HA LYS 592 HA LYS 592 -17.579 13.865 -3.042 1172 1HB LYS 592 HB2 LYS 592 -17.897 10.929 -2.410 1173 2HB LYS 592 HB1 LYS 592 -18.243 12.266 -1.321 1174 1HG LYS 592 HG2 LYS 592 -19.699 11.566 -3.859 1175 2HG LYS 592 HG1 LYS 592 -20.304 11.441 -2.206 1176 1HD LYS 592 HD2 LYS 592 -21.231 13.444 -2.703 1177 2HD LYS 592 HD1 LYS 592 -19.633 14.043 -2.250 1178 1HE LYS 592 HE2 LYS 592 -19.059 14.533 -4.392 1179 2HE LYS 592 HE1 LYS 592 -19.997 13.198 -5.062 1180 1HZ LYS 592 HZ1 LYS 592 -21.050 15.194 -5.715 1181 2HZ LYS 592 HZ2 LYS 592 -21.005 15.832 -4.150 1182 3HZ LYS 592 HZ3 LYS 592 -22.021 14.527 -4.500 1183 H MET 593 HN MET 593 -15.556 11.037 -3.629 1184 HA MET 593 HA MET 593 -13.846 11.208 -1.453 1185 1HB MET 593 HB2 MET 593 -12.969 10.453 -4.241 1186 2HB MET 593 HB1 MET 593 -12.290 9.904 -2.717 1187 1HG MET 593 HG2 MET 593 -14.718 8.988 -2.335 1188 2HG MET 593 HG1 MET 593 -14.784 9.070 -4.090 1189 1HE MET 593 HE1 MET 593 -12.700 6.213 -5.334 1190 2HE MET 593 HE2 MET 593 -12.754 7.952 -5.618 1191 3HE MET 593 HE3 MET 593 -14.255 7.036 -5.477 1192 H LEU 594 HN LEU 594 -13.976 13.149 -4.346 1193 HA LEU 594 HA LEU 594 -11.401 14.300 -4.169 1194 1HB LEU 594 HB2 LEU 594 -13.951 15.305 -5.426 1195 2HB LEU 594 HB1 LEU 594 -12.402 16.110 -5.596 1196 HG LEU 594 HG LEU 594 -12.914 13.272 -6.481 1197 1HD1 LEU 594 HD11 LEU 594 -14.303 14.572 -7.861 1198 2HD1 LEU 594 HD12 LEU 594 -12.820 14.333 -8.787 1199 3HD1 LEU 594 HD13 LEU 594 -13.114 15.870 -7.974 1200 1HD2 LEU 594 HD21 LEU 594 -10.542 14.443 -5.957 1201 2HD2 LEU 594 HD22 LEU 594 -10.762 14.912 -7.643 1202 3HD2 LEU 594 HD23 LEU 594 -10.777 13.207 -7.193 1203 H SER 595 HN SER 595 -14.309 14.825 -2.402 1204 HA SER 595 HA SER 595 -14.812 16.174 -0.642 1205 1HB SER 595 HB2 SER 595 -11.899 16.993 -0.685 1206 2HB SER 595 HB1 SER 595 -13.022 17.134 0.667 1207 HG SER 595 HG SER 595 -12.128 15.268 1.150 1208 H SER 596 HN SER 596 -16.117 17.782 -1.203 1209 HA SER 596 HA SER 596 -15.032 20.360 -1.858 1210 1HB SER 596 HB2 SER 596 -17.029 19.690 -3.890 1211 2HB SER 596 HB1 SER 596 -15.470 20.496 -4.066 1212 HG SER 596 HG SER 596 -15.414 18.533 -5.149 1213 H SER 597 HN SER 597 -18.001 18.399 -1.906 1214 HA SER 597 HA SER 597 -19.260 19.837 0.148 1215 1HB SER 597 HB2 SER 597 -19.582 20.932 -2.565 1216 2HB SER 597 HB1 SER 597 -21.099 20.658 -1.709 1217 HG SER 597 HG SER 597 -20.277 21.923 0.003 Start of MODEL 6 1 1H MET 452 HT1 MET 452 -9.477 20.787 7.573 2 2H MET 452 HT2 MET 452 -8.987 21.899 8.787 3 3H MET 452 HT3 MET 452 -9.404 20.289 9.213 4 HA MET 452 HA MET 452 -7.556 19.588 7.698 5 1HB MET 452 HB2 MET 452 -7.283 22.548 7.806 6 2HB MET 452 HB1 MET 452 -5.801 21.605 7.871 7 1HG MET 452 HG2 MET 452 -7.892 21.447 5.713 8 2HG MET 452 HG1 MET 452 -6.346 22.285 5.597 9 1HE MET 452 HE1 MET 452 -6.792 18.594 3.640 10 2HE MET 452 HE2 MET 452 -6.731 20.307 3.224 11 3HE MET 452 HE3 MET 452 -8.066 19.682 4.192 12 H ALA 453 HN ALA 453 -8.060 21.561 10.537 13 HA ALA 453 HA ALA 453 -5.723 20.975 11.955 14 1HB ALA 453 HB1 ALA 453 -6.867 21.720 13.904 15 2HB ALA 453 HB2 ALA 453 -8.441 21.377 13.186 16 3HB ALA 453 HB3 ALA 453 -7.453 22.692 12.553 17 H LYS 454 HN LYS 454 -8.627 19.105 11.436 18 HA LYS 454 HA LYS 454 -7.400 16.887 12.932 19 1HB LYS 454 HB2 LYS 454 -9.690 16.169 13.590 20 2HB LYS 454 HB1 LYS 454 -9.208 17.704 14.296 21 1HG LYS 454 HG2 LYS 454 -10.454 18.779 12.331 22 2HG LYS 454 HG1 LYS 454 -11.177 17.185 12.102 23 1HD LYS 454 HD2 LYS 454 -12.722 18.172 13.493 24 2HD LYS 454 HD1 LYS 454 -11.672 17.379 14.668 25 1HE LYS 454 HE2 LYS 454 -12.200 19.674 15.335 26 2HE LYS 454 HE1 LYS 454 -10.475 19.465 15.033 27 1HZ LYS 454 HZ1 LYS 454 -12.268 20.471 12.916 28 2HZ LYS 454 HZ2 LYS 454 -10.594 20.659 13.066 29 3HZ LYS 454 HZ3 LYS 454 -11.635 21.520 14.084 30 H LYS 455 HN LYS 455 -6.678 15.682 11.261 31 HA LYS 455 HA LYS 455 -8.611 14.971 9.156 32 1HB LYS 455 HB2 LYS 455 -6.528 14.304 7.856 33 2HB LYS 455 HB1 LYS 455 -6.773 16.026 8.112 34 1HG LYS 455 HG2 LYS 455 -5.185 15.937 9.998 35 2HG LYS 455 HG1 LYS 455 -4.894 14.235 9.636 36 1HD LYS 455 HD2 LYS 455 -3.147 15.583 8.650 37 2HD LYS 455 HD1 LYS 455 -4.143 14.883 7.373 38 1HE LYS 455 HE2 LYS 455 -4.861 16.890 6.668 39 2HE LYS 455 HE1 LYS 455 -5.053 17.505 8.309 40 1HZ LYS 455 HZ1 LYS 455 -2.711 17.953 8.417 41 2HZ LYS 455 HZ2 LYS 455 -3.338 18.685 7.027 42 3HZ LYS 455 HZ3 LYS 455 -2.451 17.250 6.900 43 H LEU 456 HN LEU 456 -7.933 12.735 8.141 44 HA LEU 456 HA LEU 456 -7.222 10.843 10.259 45 1HB LEU 456 HB2 LEU 456 -9.106 9.360 9.256 46 2HB LEU 456 HB1 LEU 456 -9.496 10.588 10.444 47 HG LEU 456 HG LEU 456 -9.753 11.936 8.046 48 1HD1 LEU 456 HD11 LEU 456 -10.917 10.618 6.512 49 2HD1 LEU 456 HD12 LEU 456 -11.158 9.314 7.675 50 3HD1 LEU 456 HD13 LEU 456 -9.555 9.609 7.001 51 1HD2 LEU 456 HD21 LEU 456 -12.221 11.639 8.494 52 2HD2 LEU 456 HD22 LEU 456 -11.264 12.269 9.834 53 3HD2 LEU 456 HD23 LEU 456 -11.761 10.578 9.826 54 H LEU 457 HN LEU 457 -7.297 8.501 9.141 55 HA LEU 457 HA LEU 457 -6.219 7.077 7.736 56 1HB LEU 457 HB2 LEU 457 -7.901 8.333 6.178 57 2HB LEU 457 HB1 LEU 457 -6.455 9.080 5.525 58 HG LEU 457 HG LEU 457 -5.616 6.639 5.222 59 1HD1 LEU 457 HD11 LEU 457 -7.876 5.338 4.595 60 2HD1 LEU 457 HD12 LEU 457 -8.446 6.278 5.974 61 3HD1 LEU 457 HD13 LEU 457 -7.071 5.188 6.156 62 1HD2 LEU 457 HD21 LEU 457 -6.735 6.524 3.023 63 2HD2 LEU 457 HD22 LEU 457 -6.076 8.123 3.373 64 3HD2 LEU 457 HD23 LEU 457 -7.809 7.830 3.528 65 HA PRO 458 HA PRO 458 -2.373 9.795 7.747 66 1HB PRO 458 HB2 PRO 458 -1.393 9.425 10.196 67 2HB PRO 458 HB1 PRO 458 -2.688 10.594 9.908 68 1HG PRO 458 HG2 PRO 458 -2.856 7.817 11.012 69 2HG PRO 458 HG1 PRO 458 -3.687 9.287 11.552 70 1HD PRO 458 HD2 PRO 458 -4.812 7.360 9.926 71 2HD PRO 458 HD1 PRO 458 -5.350 9.048 10.010 72 H ALA 459 HN ALA 459 -0.171 9.078 7.707 73 HA ALA 459 HA ALA 459 1.489 7.595 7.244 74 1HB ALA 459 HB1 ALA 459 0.621 6.964 9.712 75 2HB ALA 459 HB2 ALA 459 1.961 6.147 8.908 76 3HB ALA 459 HB3 ALA 459 0.350 5.430 8.887 77 H PHE 460 HN PHE 460 2.019 5.593 6.146 78 HA PHE 460 HA PHE 460 -0.287 4.419 4.739 79 1HB PHE 460 HB2 PHE 460 2.210 5.594 3.699 80 2HB PHE 460 HB1 PHE 460 1.749 4.057 2.972 81 HD1 PHE 460 HD1 PHE 460 1.647 7.327 2.297 82 HD2 PHE 460 HD2 PHE 460 -1.068 4.088 2.789 83 HE1 PHE 460 HE1 PHE 460 0.003 8.493 0.883 84 HE2 PHE 460 HE2 PHE 460 -2.713 5.243 1.378 85 HZ PHE 460 HZ PHE 460 -2.181 7.450 0.423 86 H GLN 461 HN GLN 461 0.695 3.393 7.101 87 HA GLN 461 HA GLN 461 2.640 1.391 6.832 88 1HB GLN 461 HB2 GLN 461 1.508 2.417 8.946 89 2HB GLN 461 HB1 GLN 461 0.322 1.139 8.719 90 1HG GLN 461 HG2 GLN 461 2.719 -0.196 8.546 91 2HG GLN 461 HG1 GLN 461 3.019 1.019 9.786 92 1HE2 GLN 461 HE21 GLN 461 0.307 -1.079 8.856 93 2HE2 GLN 461 HE22 GLN 461 0.009 -1.685 10.447 94 H ASN 462 HN ASN 462 -0.695 1.483 5.861 95 HA ASN 462 HA ASN 462 -1.126 -1.325 5.844 96 1HB ASN 462 HB2 ASN 462 -2.966 0.311 5.874 97 2HB ASN 462 HB1 ASN 462 -2.519 0.841 4.254 98 1HD2 ASN 462 HD21 ASN 462 -4.310 -1.356 6.094 99 2HD2 ASN 462 HD22 ASN 462 -4.868 -2.360 4.804 100 H ALA 463 HN ALA 463 -0.281 0.971 3.236 101 HA ALA 463 HA ALA 463 -0.170 -1.050 1.254 102 1HB ALA 463 HB1 ALA 463 0.714 0.590 -0.221 103 2HB ALA 463 HB2 ALA 463 1.199 1.621 1.128 104 3HB ALA 463 HB3 ALA 463 -0.512 1.370 0.781 105 H GLU 464 HN GLU 464 2.424 0.744 2.877 106 HA GLU 464 HA GLU 464 4.562 -0.585 1.724 107 1HB GLU 464 HB2 GLU 464 4.204 0.856 4.324 108 2HB GLU 464 HB1 GLU 464 5.726 0.057 3.958 109 1HG GLU 464 HG2 GLU 464 4.429 2.160 2.241 110 2HG GLU 464 HG1 GLU 464 5.725 2.454 3.398 111 H ARG 465 HN ARG 465 2.702 -1.475 4.613 112 HA ARG 465 HA ARG 465 4.441 -3.550 5.391 113 1HB ARG 465 HB2 ARG 465 1.564 -2.984 6.058 114 2HB ARG 465 HB1 ARG 465 2.437 -4.351 6.734 115 1HG ARG 465 HG2 ARG 465 3.720 -1.701 6.983 116 2HG ARG 465 HG1 ARG 465 2.274 -1.991 7.950 117 1HD ARG 465 HD2 ARG 465 3.741 -4.297 8.293 118 2HD ARG 465 HD1 ARG 465 4.973 -3.037 8.260 119 HE ARG 465 HE ARG 465 4.217 -2.297 10.290 120 1HH1 ARG 465 HH11 ARG 465 1.814 -4.407 8.894 121 2HH1 ARG 465 HH12 ARG 465 0.831 -4.439 10.320 122 1HH2 ARG 465 HH21 ARG 465 2.926 -2.336 12.167 123 2HH2 ARG 465 HH22 ARG 465 1.463 -3.261 12.179 124 H LEU 466 HN LEU 466 1.259 -3.791 3.711 125 HA LEU 466 HA LEU 466 1.594 -6.597 3.378 126 1HB LEU 466 HB2 LEU 466 -0.167 -5.334 1.419 127 2HB LEU 466 HB1 LEU 466 -0.439 -6.676 2.501 128 HG LEU 466 HG LEU 466 -0.385 -4.036 3.794 129 1HD1 LEU 466 HD11 LEU 466 -2.128 -4.644 1.513 130 2HD1 LEU 466 HD12 LEU 466 -1.711 -3.091 2.240 131 3HD1 LEU 466 HD13 LEU 466 -2.969 -4.092 2.964 132 1HD2 LEU 466 HD21 LEU 466 -2.633 -5.917 4.063 133 2HD2 LEU 466 HD22 LEU 466 -1.719 -5.055 5.300 134 3HD2 LEU 466 HD23 LEU 466 -1.055 -6.519 4.573 135 H LEU 467 HN LEU 467 2.069 -3.847 1.156 136 HA LEU 467 HA LEU 467 2.698 -5.249 -1.143 137 1HB LEU 467 HB2 LEU 467 2.582 -2.733 -0.863 138 2HB LEU 467 HB1 LEU 467 4.203 -2.809 -0.199 139 HG LEU 467 HG LEU 467 3.859 -4.090 -2.836 140 1HD1 LEU 467 HD11 LEU 467 3.943 -1.955 -4.038 141 2HD1 LEU 467 HD12 LEU 467 3.692 -1.101 -2.514 142 3HD1 LEU 467 HD13 LEU 467 2.431 -2.154 -3.147 143 1HD2 LEU 467 HD21 LEU 467 5.925 -2.859 -1.227 144 2HD2 LEU 467 HD22 LEU 467 5.931 -2.252 -2.883 145 3HD2 LEU 467 HD23 LEU 467 6.063 -3.983 -2.578 146 H LEU 468 HN LEU 468 4.654 -4.512 1.651 147 HA LEU 468 HA LEU 468 7.115 -5.526 0.814 148 1HB LEU 468 HB2 LEU 468 5.774 -4.866 3.354 149 2HB LEU 468 HB1 LEU 468 7.053 -6.048 3.491 150 HG LEU 468 HG LEU 468 8.694 -4.526 2.764 151 1HD1 LEU 468 HD11 LEU 468 8.221 -3.169 1.071 152 2HD1 LEU 468 HD12 LEU 468 7.462 -2.093 2.242 153 3HD1 LEU 468 HD13 LEU 468 6.488 -3.282 1.377 154 1HD2 LEU 468 HD21 LEU 468 6.762 -2.949 4.458 155 2HD2 LEU 468 HD22 LEU 468 8.502 -2.698 4.334 156 3HD2 LEU 468 HD23 LEU 468 7.876 -4.176 5.063 157 H ALA 469 HN ALA 469 4.307 -7.073 2.326 158 HA ALA 469 HA ALA 469 5.366 -9.580 2.876 159 1HB ALA 469 HB1 ALA 469 3.084 -10.393 2.844 160 2HB ALA 469 HB2 ALA 469 2.564 -8.955 1.966 161 3HB ALA 469 HB3 ALA 469 3.165 -8.811 3.617 162 H HIS 470 HN HIS 470 3.741 -8.514 -0.123 163 HA HIS 470 HA HIS 470 4.206 -11.043 -1.419 164 1HB HIS 470 HB2 HIS 470 2.266 -9.780 -2.097 165 2HB HIS 470 HB1 HIS 470 3.250 -8.369 -2.465 166 HD1 HIS 470 HD1 HIS 470 4.858 -11.375 -3.711 167 HD2 HIS 470 HD2 HIS 470 1.914 -8.776 -5.069 168 HE1 HIS 470 HE1 HIS 470 4.693 -11.780 -6.186 169 HE2 HIS 470 HE2 HIS 470 2.857 -10.245 -6.975 170 H MET 471 HN MET 471 5.453 -7.772 -1.750 171 HA MET 471 HA MET 471 7.311 -8.162 -3.740 172 1HB MET 471 HB2 MET 471 6.528 -6.037 -2.444 173 2HB MET 471 HB1 MET 471 7.939 -6.368 -1.449 174 1HG MET 471 HG2 MET 471 8.159 -6.266 -4.416 175 2HG MET 471 HG1 MET 471 8.151 -4.789 -3.456 176 1HE MET 471 HE1 MET 471 11.195 -5.146 -1.186 177 2HE MET 471 HE2 MET 471 9.687 -5.960 -0.758 178 3HE MET 471 HE3 MET 471 9.647 -4.358 -1.512 179 H MET 472 HN MET 472 7.488 -8.970 -0.369 180 HA MET 472 HA MET 472 10.271 -9.417 -0.151 181 1HB MET 472 HB2 MET 472 7.846 -10.085 1.408 182 2HB MET 472 HB1 MET 472 9.236 -11.123 1.677 183 1HG MET 472 HG2 MET 472 10.583 -9.142 2.220 184 2HG MET 472 HG1 MET 472 9.148 -8.137 2.015 185 1HE MET 472 HE1 MET 472 8.559 -7.109 3.927 186 2HE MET 472 HE2 MET 472 8.016 -7.837 5.441 187 3HE MET 472 HE3 MET 472 7.082 -8.084 3.963 188 H ARG 473 HN ARG 473 7.999 -11.061 -1.991 189 HA ARG 473 HA ARG 473 9.365 -13.635 -1.683 190 1HB ARG 473 HB2 ARG 473 6.642 -12.819 -2.463 191 2HB ARG 473 HB1 ARG 473 7.292 -14.224 -3.297 192 1HG ARG 473 HG2 ARG 473 7.880 -15.080 -0.942 193 2HG ARG 473 HG1 ARG 473 6.741 -13.853 -0.381 194 1HD ARG 473 HD2 ARG 473 4.985 -14.833 -1.747 195 2HD ARG 473 HD1 ARG 473 6.119 -16.024 -2.382 196 HE ARG 473 HE ARG 473 4.776 -16.089 0.152 197 1HH1 ARG 473 HH11 ARG 473 7.599 -17.156 -1.600 198 2HH1 ARG 473 HH12 ARG 473 7.865 -18.531 -0.582 199 1HH2 ARG 473 HH21 ARG 473 5.125 -17.897 1.494 200 2HH2 ARG 473 HH22 ARG 473 6.460 -18.953 1.175 201 H SER 474 HN SER 474 7.965 -11.862 -4.490 202 HA SER 474 HA SER 474 10.102 -13.106 -6.097 203 1HB SER 474 HB2 SER 474 7.459 -13.403 -6.465 204 2HB SER 474 HB1 SER 474 7.738 -11.988 -7.481 205 HG SER 474 HG SER 474 8.225 -14.502 -8.071 206 H ARG 475 HN ARG 475 11.261 -12.002 -7.594 207 HA ARG 475 HA ARG 475 11.802 -9.278 -7.107 208 1HB ARG 475 HB2 ARG 475 13.367 -9.427 -8.934 209 2HB ARG 475 HB1 ARG 475 13.447 -10.910 -7.997 210 1HG ARG 475 HG2 ARG 475 12.597 -12.187 -9.674 211 2HG ARG 475 HG1 ARG 475 11.624 -10.873 -10.333 212 1HD ARG 475 HD2 ARG 475 14.411 -10.227 -10.551 213 2HD ARG 475 HD1 ARG 475 14.109 -11.816 -11.253 214 HE ARG 475 HE ARG 475 13.402 -9.329 -12.375 215 1HH1 ARG 475 HH11 ARG 475 12.143 -12.556 -11.935 216 2HH1 ARG 475 HH12 ARG 475 11.150 -12.495 -13.352 217 1HH2 ARG 475 HH21 ARG 475 12.096 -9.249 -14.238 218 2HH2 ARG 475 HH22 ARG 475 11.123 -10.618 -14.661 219 H ASP 476 HN ASP 476 9.421 -10.790 -9.079 220 HA ASP 476 HA ASP 476 9.151 -8.754 -11.044 221 1HB ASP 476 HB2 ASP 476 8.277 -11.118 -11.256 222 2HB ASP 476 HB1 ASP 476 7.016 -10.683 -10.107 223 H VAL 477 HN VAL 477 7.384 -9.578 -8.089 224 HA VAL 477 HA VAL 477 5.716 -7.332 -8.155 225 HB VAL 477 HB VAL 477 5.059 -9.106 -6.721 226 1HG1 VAL 477 HG11 VAL 477 6.445 -9.678 -4.686 227 2HG1 VAL 477 HG12 VAL 477 7.759 -8.793 -5.461 228 3HG1 VAL 477 HG13 VAL 477 7.071 -10.214 -6.245 229 1HG2 VAL 477 HG21 VAL 477 5.519 -7.700 -4.367 230 2HG2 VAL 477 HG22 VAL 477 4.136 -7.535 -5.447 231 3HG2 VAL 477 HG23 VAL 477 5.529 -6.471 -5.630 232 H ALA 478 HN ALA 478 8.931 -7.949 -6.963 233 HA ALA 478 HA ALA 478 9.399 -5.608 -5.520 234 1HB ALA 478 HB1 ALA 478 10.869 -7.818 -6.214 235 2HB ALA 478 HB2 ALA 478 11.440 -6.426 -5.292 236 3HB ALA 478 HB3 ALA 478 11.701 -6.496 -7.036 237 H LEU 479 HN LEU 479 9.356 -6.235 -8.958 238 HA LEU 479 HA LEU 479 10.542 -3.756 -9.723 239 1HB LEU 479 HB2 LEU 479 10.087 -4.377 -11.881 240 2HB LEU 479 HB1 LEU 479 9.971 -5.952 -11.118 241 HG LEU 479 HG LEU 479 7.419 -5.191 -10.873 242 1HD1 LEU 479 HD11 LEU 479 7.917 -3.017 -11.986 243 2HD1 LEU 479 HD12 LEU 479 6.652 -3.963 -12.772 244 3HD1 LEU 479 HD13 LEU 479 8.274 -3.913 -13.463 245 1HD2 LEU 479 HD21 LEU 479 6.956 -6.777 -12.459 246 2HD2 LEU 479 HD22 LEU 479 8.649 -7.152 -12.141 247 3HD2 LEU 479 HD23 LEU 479 8.208 -6.203 -13.561 248 H VAL 480 HN VAL 480 7.367 -4.918 -8.879 249 HA VAL 480 HA VAL 480 5.848 -2.666 -9.663 250 HB VAL 480 HB VAL 480 5.137 -4.506 -7.393 251 1HG1 VAL 480 HG11 VAL 480 2.825 -4.032 -8.344 252 2HG1 VAL 480 HG12 VAL 480 3.593 -2.740 -9.267 253 3HG1 VAL 480 HG13 VAL 480 3.630 -2.706 -7.505 254 1HG2 VAL 480 HG21 VAL 480 4.113 -5.998 -8.988 255 2HG2 VAL 480 HG22 VAL 480 5.817 -5.811 -9.397 256 3HG2 VAL 480 HG23 VAL 480 4.589 -4.955 -10.327 257 H VAL 481 HN VAL 481 7.278 -3.556 -6.504 258 HA VAL 481 HA VAL 481 6.299 -1.351 -5.107 259 HB VAL 481 HB VAL 481 7.310 -3.157 -3.902 260 1HG1 VAL 481 HG11 VAL 481 9.634 -3.718 -4.012 261 2HG1 VAL 481 HG12 VAL 481 9.942 -2.406 -5.141 262 3HG1 VAL 481 HG13 VAL 481 8.940 -3.774 -5.629 263 1HG2 VAL 481 HG21 VAL 481 8.077 -0.426 -3.518 264 2HG2 VAL 481 HG22 VAL 481 9.377 -1.488 -2.980 265 3HG2 VAL 481 HG23 VAL 481 7.755 -1.673 -2.314 266 H GLN 482 HN GLN 482 9.441 -1.744 -6.783 267 HA GLN 482 HA GLN 482 10.281 0.916 -6.314 268 1HB GLN 482 HB2 GLN 482 11.610 -1.213 -7.048 269 2HB GLN 482 HB1 GLN 482 11.234 -0.655 -8.673 270 1HG GLN 482 HG2 GLN 482 12.374 1.321 -6.787 271 2HG GLN 482 HG1 GLN 482 13.443 0.053 -7.387 272 1HE2 GLN 482 HE21 GLN 482 11.739 2.939 -8.125 273 2HE2 GLN 482 HE22 GLN 482 12.315 3.131 -9.743 274 H GLU 483 HN GLU 483 8.838 -0.593 -9.205 275 HA GLU 483 HA GLU 483 8.873 1.861 -10.676 276 1HB GLU 483 HB2 GLU 483 8.943 -0.653 -11.462 277 2HB GLU 483 HB1 GLU 483 7.200 -0.437 -11.544 278 1HG GLU 483 HG2 GLU 483 7.524 0.368 -13.583 279 2HG GLU 483 HG1 GLU 483 8.181 1.807 -12.805 280 H ARG 484 HN ARG 484 6.183 -0.035 -9.245 281 HA ARG 484 HA ARG 484 4.304 1.977 -10.138 282 1HB ARG 484 HB2 ARG 484 3.993 -0.642 -8.698 283 2HB ARG 484 HB1 ARG 484 2.639 0.454 -8.941 284 1HG ARG 484 HG2 ARG 484 3.231 0.371 -11.417 285 2HG ARG 484 HG1 ARG 484 4.252 -1.008 -11.004 286 1HD ARG 484 HD2 ARG 484 1.978 -1.732 -9.770 287 2HD ARG 484 HD1 ARG 484 1.308 -0.774 -11.088 288 HE ARG 484 HE ARG 484 3.023 -2.373 -12.383 289 1HH1 ARG 484 HH11 ARG 484 0.562 -3.062 -10.005 290 2HH1 ARG 484 HH12 ARG 484 0.241 -4.650 -10.616 291 1HH2 ARG 484 HH21 ARG 484 2.597 -4.460 -13.190 292 2HH2 ARG 484 HH22 ARG 484 1.393 -5.442 -12.423 293 H ILE 485 HN ILE 485 6.273 1.817 -7.463 294 HA ILE 485 HA ILE 485 4.530 3.696 -6.067 295 HB ILE 485 HB ILE 485 3.978 2.366 -4.382 296 1HG1 ILE 485 HG12 ILE 485 6.936 1.795 -4.082 297 2HG1 ILE 485 HG11 ILE 485 5.985 2.975 -3.188 298 1HG2 ILE 485 HG21 ILE 485 4.290 -0.016 -4.518 299 2HG2 ILE 485 HG22 ILE 485 5.632 0.191 -5.639 300 3HG2 ILE 485 HG23 ILE 485 4.005 0.628 -6.132 301 1HD1 ILE 485 HD11 ILE 485 5.659 1.447 -1.625 302 2HD1 ILE 485 HD12 ILE 485 6.474 0.220 -2.599 303 3HD1 ILE 485 HD13 ILE 485 4.732 0.497 -2.792 304 H GLY 486 HN GLY 486 7.692 2.157 -6.266 305 1HA GLY 486 HA2 GLY 486 9.759 3.253 -6.288 306 2HA GLY 486 HA1 GLY 486 8.954 4.732 -5.785 307 H GLY 487 HN GLY 487 8.180 4.784 -3.500 308 1HA GLY 487 HA2 GLY 487 8.501 3.400 -1.353 309 2HA GLY 487 HA1 GLY 487 10.200 3.488 -1.793 310 H ARG 488 HN ARG 488 7.391 5.388 -0.839 311 HA ARG 488 HA ARG 488 8.818 7.838 -0.546 312 1HB ARG 488 HB2 ARG 488 6.174 6.954 0.625 313 2HB ARG 488 HB1 ARG 488 6.794 8.599 0.667 314 1HG ARG 488 HG2 ARG 488 6.935 8.083 -1.982 315 2HG ARG 488 HG1 ARG 488 5.538 7.106 -1.526 316 1HD ARG 488 HD2 ARG 488 4.355 8.989 -1.720 317 2HD ARG 488 HD1 ARG 488 5.094 9.468 -0.192 318 HE ARG 488 HE ARG 488 6.680 10.130 -2.495 319 1HH1 ARG 488 HH11 ARG 488 4.079 11.185 -0.419 320 2HH1 ARG 488 HH12 ARG 488 4.296 12.862 -0.789 321 1HH2 ARG 488 HH21 ARG 488 6.967 12.337 -2.982 322 2HH2 ARG 488 HH22 ARG 488 5.935 13.517 -2.244 323 H PHE 489 HN PHE 489 8.535 8.944 1.767 324 HA PHE 489 HA PHE 489 10.124 7.293 3.566 325 1HB PHE 489 HB2 PHE 489 10.452 9.425 4.817 326 2HB PHE 489 HB1 PHE 489 10.979 9.509 3.139 327 HD1 PHE 489 HD1 PHE 489 9.827 10.892 1.541 328 HD2 PHE 489 HD2 PHE 489 8.489 10.632 5.572 329 HE1 PHE 489 HE1 PHE 489 8.408 12.872 1.193 330 HE2 PHE 489 HE2 PHE 489 7.067 12.611 5.231 331 HZ PHE 489 HZ PHE 489 7.025 13.733 3.040 332 H ASN 490 HN ASN 490 9.492 6.614 5.548 333 HA ASN 490 HA ASN 490 7.261 7.654 6.960 334 1HB ASN 490 HB2 ASN 490 6.837 5.314 5.178 335 2HB ASN 490 HB1 ASN 490 6.115 5.234 6.782 336 1HD2 ASN 490 HD21 ASN 490 5.674 6.230 3.656 337 2HD2 ASN 490 HD22 ASN 490 4.366 7.331 3.898 338 H ILE 491 HN ILE 491 8.266 4.263 6.663 339 HA ILE 491 HA ILE 491 9.532 4.475 9.314 340 HB ILE 491 HB ILE 491 7.927 2.100 8.365 341 1HG1 ILE 491 HG12 ILE 491 6.543 3.042 10.482 342 2HG1 ILE 491 HG11 ILE 491 7.160 4.559 9.835 343 1HG2 ILE 491 HG21 ILE 491 9.202 2.774 11.011 344 2HG2 ILE 491 HG22 ILE 491 9.654 1.472 9.911 345 3HG2 ILE 491 HG23 ILE 491 8.103 1.421 10.746 346 1HD1 ILE 491 HD11 ILE 491 5.314 4.499 8.581 347 2HD1 ILE 491 HD12 ILE 491 5.099 2.763 8.799 348 3HD1 ILE 491 HD13 ILE 491 6.230 3.368 7.587 349 H GLU 492 HN GLU 492 11.200 2.892 9.739 350 HA GLU 492 HA GLU 492 13.014 2.601 7.630 351 1HB GLU 492 HB2 GLU 492 12.972 2.102 10.424 352 2HB GLU 492 HB1 GLU 492 13.560 0.641 9.642 353 1HG GLU 492 HG2 GLU 492 15.406 1.716 8.738 354 2HG GLU 492 HG1 GLU 492 14.686 3.315 8.924 355 H GLU 493 HN GLU 493 10.906 0.174 9.153 356 HA GLU 493 HA GLU 493 11.701 -2.036 7.674 357 1HB GLU 493 HB2 GLU 493 10.102 -1.884 9.692 358 2HB GLU 493 HB1 GLU 493 8.846 -1.627 8.488 359 1HG GLU 493 HG2 GLU 493 10.524 -3.896 7.844 360 2HG GLU 493 HG1 GLU 493 9.766 -4.054 9.425 361 H HIS 494 HN HIS 494 9.578 0.531 6.852 362 HA HIS 494 HA HIS 494 8.647 -0.745 4.422 363 1HB HIS 494 HB2 HIS 494 8.141 2.081 5.360 364 2HB HIS 494 HB1 HIS 494 7.245 1.192 4.135 365 HD1 HIS 494 HD1 HIS 494 5.465 2.217 6.167 366 HD2 HIS 494 HD2 HIS 494 7.555 -1.317 6.795 367 HE1 HIS 494 HE1 HIS 494 4.201 1.000 7.962 368 HE2 HIS 494 HE2 HIS 494 5.524 -1.101 8.382 369 H ARG 495 HN ARG 495 10.231 2.357 5.176 370 HA ARG 495 HA ARG 495 10.959 3.015 2.580 371 1HB ARG 495 HB2 ARG 495 11.348 4.109 5.105 372 2HB ARG 495 HB1 ARG 495 12.980 3.787 4.540 373 1HG ARG 495 HG2 ARG 495 10.889 5.474 3.188 374 2HG ARG 495 HG1 ARG 495 12.385 6.023 3.945 375 1HD ARG 495 HD2 ARG 495 12.159 4.265 1.503 376 2HD ARG 495 HD1 ARG 495 12.604 5.971 1.520 377 HE ARG 495 HE ARG 495 14.307 4.319 3.141 378 1HH1 ARG 495 HH11 ARG 495 13.731 5.543 -0.076 379 2HH1 ARG 495 HH12 ARG 495 15.379 5.361 -0.576 380 1HH2 ARG 495 HH21 ARG 495 16.475 4.079 2.486 381 2HH2 ARG 495 HH22 ARG 495 16.937 4.529 0.878 382 H ALA 496 HN ALA 496 12.727 1.166 5.030 383 HA ALA 496 HA ALA 496 14.970 0.694 3.348 384 1HB ALA 496 HB1 ALA 496 14.277 -0.977 5.728 385 2HB ALA 496 HB2 ALA 496 14.987 0.631 5.875 386 3HB ALA 496 HB3 ALA 496 15.864 -0.650 5.029 387 H LEU 497 HN LEU 497 12.056 -1.251 4.144 388 HA LEU 497 HA LEU 497 12.899 -3.614 3.003 389 1HB LEU 497 HB2 LEU 497 10.304 -2.420 3.560 390 2HB LEU 497 HB1 LEU 497 10.273 -3.511 2.192 391 HG LEU 497 HG LEU 497 9.767 -4.475 4.533 392 1HD1 LEU 497 HD11 LEU 497 11.592 -5.628 2.474 393 2HD1 LEU 497 HD12 LEU 497 9.919 -6.039 2.848 394 3HD1 LEU 497 HD13 LEU 497 11.214 -6.543 3.933 395 1HD2 LEU 497 HD21 LEU 497 12.601 -5.056 4.899 396 2HD2 LEU 497 HD22 LEU 497 11.368 -4.623 6.083 397 3HD2 LEU 497 HD23 LEU 497 12.187 -3.362 5.162 398 H ALA 498 HN ALA 498 11.171 -0.986 1.402 399 HA ALA 498 HA ALA 498 11.358 -1.963 -1.226 400 1HB ALA 498 HB1 ALA 498 10.768 0.633 0.060 401 2HB ALA 498 HB2 ALA 498 9.848 -0.292 -1.133 402 3HB ALA 498 HB3 ALA 498 11.242 0.664 -1.641 403 H ALA 499 HN ALA 499 13.508 -0.073 0.805 404 HA ALA 499 HA ALA 499 15.342 0.769 -1.192 405 1HB ALA 499 HB1 ALA 499 14.980 1.807 1.037 406 2HB ALA 499 HB2 ALA 499 16.672 1.516 0.630 407 3HB ALA 499 HB3 ALA 499 15.831 0.429 1.740 408 H TYR 500 HN TYR 500 15.927 -1.551 1.505 409 HA TYR 500 HA TYR 500 18.350 -2.352 0.443 410 1HB TYR 500 HB2 TYR 500 18.536 -3.914 2.179 411 2HB TYR 500 HB1 TYR 500 17.654 -2.538 2.835 412 HD1 TYR 500 HD1 TYR 500 15.109 -3.373 1.236 413 HD2 TYR 500 HD2 TYR 500 17.672 -5.352 3.951 414 HE1 TYR 500 HE1 TYR 500 13.310 -4.835 1.823 415 HE2 TYR 500 HE2 TYR 500 15.840 -6.842 4.581 416 HH TYR 500 HH TYR 500 13.753 -7.671 3.745 417 H ILE 501 HN ILE 501 15.204 -3.271 -0.425 418 HA ILE 501 HA ILE 501 15.927 -5.839 -1.503 419 HB ILE 501 HB ILE 501 13.607 -5.264 -0.717 420 1HG1 ILE 501 HG12 ILE 501 12.786 -6.097 -3.265 421 2HG1 ILE 501 HG11 ILE 501 14.431 -6.697 -3.085 422 1HG2 ILE 501 HG21 ILE 501 12.798 -4.102 -3.258 423 2HG2 ILE 501 HG22 ILE 501 13.883 -3.064 -2.340 424 3HG2 ILE 501 HG23 ILE 501 12.384 -3.628 -1.610 425 1HD1 ILE 501 HD11 ILE 501 12.777 -7.137 -0.730 426 2HD1 ILE 501 HD12 ILE 501 13.817 -8.251 -1.620 427 3HD1 ILE 501 HD13 ILE 501 12.175 -7.936 -2.183 428 H TYR 502 HN TYR 502 15.684 -2.533 -2.604 429 HA TYR 502 HA TYR 502 15.859 -3.053 -5.389 430 1HB TYR 502 HB2 TYR 502 15.156 -0.867 -4.246 431 2HB TYR 502 HB1 TYR 502 16.875 -0.565 -4.015 432 HD1 TYR 502 HD1 TYR 502 15.109 -2.048 -6.940 433 HD2 TYR 502 HD2 TYR 502 17.363 1.226 -5.424 434 HE1 TYR 502 HE1 TYR 502 15.240 -1.098 -9.204 435 HE2 TYR 502 HE2 TYR 502 17.500 2.185 -7.684 436 HH TYR 502 HH TYR 502 16.606 0.433 -10.484 437 H ALA 503 HN ALA 503 18.191 -2.510 -2.808 438 HA ALA 503 HA ALA 503 20.513 -2.385 -4.406 439 1HB ALA 503 HB1 ALA 503 21.093 -1.726 -2.325 440 2HB ALA 503 HB2 ALA 503 21.446 -3.438 -2.096 441 3HB ALA 503 HB3 ALA 503 19.906 -2.775 -1.549 442 H PHE 504 HN PHE 504 18.820 -5.068 -2.827 443 HA PHE 504 HA PHE 504 20.581 -7.138 -3.422 444 1HB PHE 504 HB2 PHE 504 17.756 -6.890 -2.684 445 2HB PHE 504 HB1 PHE 504 18.080 -8.298 -3.690 446 HD1 PHE 504 HD1 PHE 504 20.249 -6.715 -1.125 447 HD2 PHE 504 HD2 PHE 504 17.902 -10.087 -2.230 448 HE1 PHE 504 HE1 PHE 504 21.070 -7.928 0.849 449 HE2 PHE 504 HE2 PHE 504 18.718 -11.307 -0.257 450 HZ PHE 504 HZ PHE 504 20.304 -10.229 1.287 451 H TYR 505 HN TYR 505 18.095 -5.599 -5.372 452 HA TYR 505 HA TYR 505 18.357 -7.404 -7.581 453 1HB TYR 505 HB2 TYR 505 17.130 -4.639 -7.527 454 2HB TYR 505 HB1 TYR 505 16.866 -5.884 -8.748 455 HD1 TYR 505 HD1 TYR 505 16.726 -8.209 -6.764 456 HD2 TYR 505 HD2 TYR 505 14.832 -4.402 -6.853 457 HE1 TYR 505 HE1 TYR 505 14.873 -9.115 -5.443 458 HE2 TYR 505 HE2 TYR 505 12.955 -5.290 -5.530 459 HH TYR 505 HH TYR 505 12.459 -8.595 -5.064 460 H GLU 506 HN GLU 506 19.816 -4.385 -6.602 461 HA GLU 506 HA GLU 506 20.942 -3.571 -9.025 462 1HB GLU 506 HB2 GLU 506 21.279 -2.957 -6.222 463 2HB GLU 506 HB1 GLU 506 22.846 -3.019 -7.019 464 1HG GLU 506 HG2 GLU 506 20.684 -1.507 -8.367 465 2HG GLU 506 HG1 GLU 506 21.388 -0.810 -6.908 466 H GLU 507 HN GLU 507 21.847 -6.047 -6.742 467 HA GLU 507 HA GLU 507 24.277 -6.677 -8.248 468 1HB GLU 507 HB2 GLU 507 23.716 -6.731 -5.544 469 2HB GLU 507 HB1 GLU 507 23.604 -8.427 -5.998 470 1HG GLU 507 HG2 GLU 507 25.807 -8.433 -5.632 471 2HG GLU 507 HG1 GLU 507 25.900 -7.720 -7.242 472 H GLY 508 HN GLY 508 21.044 -7.811 -7.649 473 1HA GLY 508 HA2 GLY 508 19.888 -9.245 -9.134 474 2HA GLY 508 HA1 GLY 508 21.430 -9.883 -9.683 475 H HIS 509 HN HIS 509 18.925 -10.087 -7.261 476 HA HIS 509 HA HIS 509 19.953 -12.732 -6.526 477 1HB HIS 509 HB2 HIS 509 19.807 -10.399 -4.767 478 2HB HIS 509 HB1 HIS 509 18.994 -11.817 -4.110 479 HD1 HIS 509 HD1 HIS 509 20.467 -13.862 -3.522 480 HD2 HIS 509 HD2 HIS 509 22.590 -10.583 -4.937 481 HE1 HIS 509 HE1 HIS 509 22.879 -14.347 -3.001 482 HE2 HIS 509 HE2 HIS 509 24.153 -12.396 -3.958 483 H GLU 510 HN GLU 510 17.341 -10.825 -7.420 484 HA GLU 510 HA GLU 510 15.137 -11.232 -7.679 485 1HB GLU 510 HB2 GLU 510 16.140 -13.522 -8.343 486 2HB GLU 510 HB1 GLU 510 15.545 -14.064 -6.780 487 1HG GLU 510 HG2 GLU 510 13.333 -12.867 -7.728 488 2HG GLU 510 HG1 GLU 510 14.077 -13.392 -9.239 489 H ALA 511 HN ALA 511 16.489 -10.820 -4.906 490 HA ALA 511 HA ALA 511 15.854 -10.590 -2.735 491 1HB ALA 511 HB1 ALA 511 13.267 -10.241 -4.207 492 2HB ALA 511 HB2 ALA 511 14.303 -9.015 -3.474 493 3HB ALA 511 HB3 ALA 511 13.357 -10.098 -2.452 494 H ASP 512 HN ASP 512 16.326 -12.472 -1.706 495 HA ASP 512 HA ASP 512 14.412 -14.679 -1.816 496 1HB ASP 512 HB2 ASP 512 16.963 -14.980 -1.992 497 2HB ASP 512 HB1 ASP 512 16.994 -14.656 -0.262 498 HA PRO 513 HA PRO 513 12.256 -12.981 1.738 499 1HB PRO 513 HB2 PRO 513 11.697 -15.901 2.066 500 2HB PRO 513 HB1 PRO 513 10.593 -14.526 2.179 501 1HG PRO 513 HG2 PRO 513 10.663 -16.058 -0.006 502 2HG PRO 513 HG1 PRO 513 10.415 -14.307 -0.117 503 1HD PRO 513 HD2 PRO 513 12.801 -15.923 -0.807 504 2HD PRO 513 HD1 PRO 513 12.267 -14.361 -1.455 505 H GLY 514 HN GLY 514 13.813 -16.162 2.242 506 1HA GLY 514 HA2 GLY 514 14.230 -15.890 4.976 507 2HA GLY 514 HA1 GLY 514 15.181 -16.917 3.919 508 H ALA 515 HN ALA 515 16.422 -14.974 2.323 509 HA ALA 515 HA ALA 515 18.447 -14.081 4.173 510 1HB ALA 515 HB1 ALA 515 19.543 -14.764 2.325 511 2HB ALA 515 HB2 ALA 515 19.288 -13.093 1.824 512 3HB ALA 515 HB3 ALA 515 18.206 -14.360 1.249 513 H LEU 516 HN LEU 516 16.441 -12.474 1.733 514 HA LEU 516 HA LEU 516 17.160 -9.870 2.176 515 1HB LEU 516 HB2 LEU 516 15.837 -10.017 0.357 516 2HB LEU 516 HB1 LEU 516 14.818 -11.251 1.061 517 HG LEU 516 HG LEU 516 13.931 -9.220 2.508 518 1HD1 LEU 516 HD11 LEU 516 14.977 -7.912 0.002 519 2HD1 LEU 516 HD12 LEU 516 15.480 -7.574 1.659 520 3HD1 LEU 516 HD13 LEU 516 13.844 -7.175 1.138 521 1HD2 LEU 516 HD21 LEU 516 12.113 -9.045 0.979 522 2HD2 LEU 516 HD22 LEU 516 12.705 -10.709 0.934 523 3HD2 LEU 516 HD23 LEU 516 13.119 -9.589 -0.363 524 H ILE 517 HN ILE 517 14.502 -11.614 3.841 525 HA ILE 517 HA ILE 517 13.616 -9.466 5.377 526 HB ILE 517 HB ILE 517 13.674 -12.384 6.177 527 1HG1 ILE 517 HG12 ILE 517 12.020 -12.661 4.682 528 2HG1 ILE 517 HG11 ILE 517 11.039 -11.564 5.633 529 1HG2 ILE 517 HG21 ILE 517 12.912 -11.779 8.167 530 2HG2 ILE 517 HG22 ILE 517 11.533 -10.990 7.401 531 3HG2 ILE 517 HG23 ILE 517 13.011 -10.080 7.706 532 1HD1 ILE 517 HD11 ILE 517 12.794 -10.815 3.307 533 2HD1 ILE 517 HD12 ILE 517 11.853 -9.687 4.283 534 3HD1 ILE 517 HD13 ILE 517 11.036 -10.914 3.316 535 H SER 518 HN SER 518 16.412 -11.504 5.722 536 HA SER 518 HA SER 518 17.077 -10.302 8.305 537 1HB SER 518 HB2 SER 518 19.141 -11.962 7.867 538 2HB SER 518 HB1 SER 518 17.616 -12.518 8.557 539 HG SER 518 HG SER 518 18.313 -12.597 5.805 540 H ARG 519 HN ARG 519 17.087 -8.385 6.503 541 HA ARG 519 HA ARG 519 19.940 -7.868 6.039 542 1HB ARG 519 HB2 ARG 519 17.693 -7.454 4.065 543 2HB ARG 519 HB1 ARG 519 19.260 -6.675 3.908 544 1HG ARG 519 HG2 ARG 519 18.897 -9.654 4.057 545 2HG ARG 519 HG1 ARG 519 18.948 -8.747 2.544 546 1HD ARG 519 HD2 ARG 519 21.121 -9.002 4.612 547 2HD ARG 519 HD1 ARG 519 21.133 -9.614 2.959 548 HE ARG 519 HE ARG 519 20.805 -6.920 2.685 549 1HH1 ARG 519 HH11 ARG 519 23.160 -8.958 4.259 550 2HH1 ARG 519 HH12 ARG 519 24.461 -7.838 4.039 551 1HH2 ARG 519 HH21 ARG 519 22.516 -5.444 2.396 552 2HH2 ARG 519 HH22 ARG 519 24.097 -5.843 2.983 553 H ILE 520 HN ILE 520 16.665 -6.510 6.131 554 HA ILE 520 HA ILE 520 17.183 -3.829 6.377 555 HB ILE 520 HB ILE 520 15.230 -3.957 8.172 556 1HG1 ILE 520 HG12 ILE 520 15.619 -6.695 7.579 557 2HG1 ILE 520 HG11 ILE 520 14.403 -5.969 8.606 558 1HG2 ILE 520 HG21 ILE 520 13.668 -3.524 6.494 559 2HG2 ILE 520 HG22 ILE 520 14.499 -4.572 5.340 560 3HG2 ILE 520 HG23 ILE 520 15.218 -3.035 5.802 561 1HD1 ILE 520 HD11 ILE 520 13.473 -7.475 6.907 562 2HD1 ILE 520 HD12 ILE 520 14.090 -6.407 5.650 563 3HD1 ILE 520 HD13 ILE 520 12.861 -5.829 6.774 564 HA PRO 521 HA PRO 521 19.844 -2.909 9.769 565 1HB PRO 521 HB2 PRO 521 17.807 -1.210 10.989 566 2HB PRO 521 HB1 PRO 521 19.345 -0.770 10.260 567 1HG PRO 521 HG2 PRO 521 16.670 -0.744 9.080 568 2HG PRO 521 HG1 PRO 521 18.156 0.030 8.507 569 1HD PRO 521 HD2 PRO 521 17.018 -2.074 7.224 570 2HD PRO 521 HD1 PRO 521 18.775 -1.812 7.249 571 H GLY 522 HN GLY 522 16.843 -2.507 11.649 572 1HA GLY 522 HA2 GLY 522 17.449 -5.056 12.989 573 2HA GLY 522 HA1 GLY 522 17.312 -3.585 13.930 574 H GLU 523 HN GLU 523 15.226 -2.567 14.101 575 HA GLU 523 HA GLU 523 13.170 -4.181 14.835 576 1HB GLU 523 HB2 GLU 523 13.414 -1.344 14.122 577 2HB GLU 523 HB1 GLU 523 11.780 -1.982 13.999 578 1HG GLU 523 HG2 GLU 523 11.767 -1.303 16.164 579 2HG GLU 523 HG1 GLU 523 12.341 -2.956 16.378 580 H LEU 524 HN LEU 524 13.935 -3.296 11.577 581 HA LEU 524 HA LEU 524 11.385 -3.991 10.502 582 1HB LEU 524 HB2 LEU 524 13.444 -4.209 8.521 583 2HB LEU 524 HB1 LEU 524 12.116 -3.100 8.619 584 HG LEU 524 HG LEU 524 13.509 -1.612 10.059 585 1HD1 LEU 524 HD11 LEU 524 15.163 -3.893 10.162 586 2HD1 LEU 524 HD12 LEU 524 15.433 -2.309 10.898 587 3HD1 LEU 524 HD13 LEU 524 16.050 -2.647 9.288 588 1HD2 LEU 524 HD21 LEU 524 15.163 -1.960 7.638 589 2HD2 LEU 524 HD22 LEU 524 14.320 -0.535 8.240 590 3HD2 LEU 524 HD23 LEU 524 13.438 -1.771 7.354 591 H GLN 525 HN GLN 525 14.329 -5.728 11.225 592 HA GLN 525 HA GLN 525 13.987 -7.907 9.530 593 1HB GLN 525 HB2 GLN 525 15.007 -8.334 12.319 594 2HB GLN 525 HB1 GLN 525 15.529 -9.084 10.824 595 1HG GLN 525 HG2 GLN 525 16.038 -6.355 10.504 596 2HG GLN 525 HG1 GLN 525 16.546 -6.750 12.145 597 1HE2 GLN 525 HE21 GLN 525 16.904 -7.662 8.766 598 2HE2 GLN 525 HE22 GLN 525 18.486 -8.340 8.925 599 HA PRO 526 HA PRO 526 11.288 -9.998 12.980 600 1HB PRO 526 HB2 PRO 526 10.444 -7.712 14.633 601 2HB PRO 526 HB1 PRO 526 11.046 -9.294 15.133 602 1HG PRO 526 HG2 PRO 526 12.524 -7.070 15.411 603 2HG PRO 526 HG1 PRO 526 13.255 -8.638 15.019 604 1HD PRO 526 HD2 PRO 526 12.642 -6.332 13.217 605 2HD PRO 526 HD1 PRO 526 14.070 -7.375 13.256 606 H LEU 527 HN LEU 527 10.513 -6.593 12.226 607 HA LEU 527 HA LEU 527 7.726 -6.950 12.028 608 1HB LEU 527 HB2 LEU 527 9.678 -4.891 11.255 609 2HB LEU 527 HB1 LEU 527 8.208 -4.903 10.299 610 HG LEU 527 HG LEU 527 7.047 -4.946 12.668 611 1HD1 LEU 527 HD11 LEU 527 8.221 -3.998 14.424 612 2HD1 LEU 527 HD12 LEU 527 9.480 -3.353 13.369 613 3HD1 LEU 527 HD13 LEU 527 9.411 -5.084 13.705 614 1HD2 LEU 527 HD21 LEU 527 7.185 -3.150 10.760 615 2HD2 LEU 527 HD22 LEU 527 8.229 -2.318 11.913 616 3HD2 LEU 527 HD23 LEU 527 6.571 -2.725 12.358 617 H ALA 528 HN ALA 528 10.136 -6.741 9.403 618 HA ALA 528 HA ALA 528 8.389 -7.356 7.316 619 1HB ALA 528 HB1 ALA 528 10.206 -7.198 6.005 620 2HB ALA 528 HB2 ALA 528 11.145 -8.316 6.995 621 3HB ALA 528 HB3 ALA 528 10.990 -6.626 7.476 622 H SER 529 HN SER 529 10.238 -9.442 9.473 623 HA SER 529 HA SER 529 9.995 -11.870 8.142 624 1HB SER 529 HB2 SER 529 11.384 -11.594 10.144 625 2HB SER 529 HB1 SER 529 9.939 -11.365 11.129 626 HG SER 529 HG SER 529 10.470 -13.701 9.613 627 H GLU 530 HN GLU 530 7.772 -10.365 10.466 628 HA GLU 530 HA GLU 530 5.836 -12.458 10.295 629 1HB GLU 530 HB2 GLU 530 5.988 -11.000 12.262 630 2HB GLU 530 HB1 GLU 530 5.557 -9.610 11.276 631 1HG GLU 530 HG2 GLU 530 3.476 -10.002 11.959 632 2HG GLU 530 HG1 GLU 530 3.487 -11.315 10.781 633 H LEU 531 HN LEU 531 6.475 -9.520 8.563 634 HA LEU 531 HA LEU 531 3.949 -9.261 7.287 635 1HB LEU 531 HB2 LEU 531 6.405 -7.846 7.375 636 2HB LEU 531 HB1 LEU 531 6.024 -8.142 5.691 637 HG LEU 531 HG LEU 531 3.867 -7.023 5.933 638 1HD1 LEU 531 HD11 LEU 531 3.121 -6.100 7.978 639 2HD1 LEU 531 HD12 LEU 531 4.676 -6.362 8.763 640 3HD1 LEU 531 HD13 LEU 531 3.643 -7.736 8.375 641 1HD2 LEU 531 HD21 LEU 531 6.375 -5.653 6.819 642 2HD2 LEU 531 HD22 LEU 531 4.862 -4.760 6.738 643 3HD2 LEU 531 HD23 LEU 531 5.513 -5.528 5.290 644 H SER 532 HN SER 532 6.589 -11.375 6.751 645 HA SER 532 HA SER 532 6.733 -11.681 4.067 646 1HB SER 532 HB2 SER 532 7.107 -13.478 6.364 647 2HB SER 532 HB1 SER 532 6.787 -14.308 4.841 648 HG SER 532 HG SER 532 8.662 -13.673 4.090 649 H LEU 533 HN LEU 533 3.955 -12.390 6.013 650 HA LEU 533 HA LEU 533 2.516 -13.114 3.588 651 1HB LEU 533 HB2 LEU 533 3.277 -15.191 4.994 652 2HB LEU 533 HB1 LEU 533 1.943 -14.731 6.035 653 HG LEU 533 HG LEU 533 1.827 -15.625 3.160 654 1HD1 LEU 533 HD11 LEU 533 0.133 -17.198 4.187 655 2HD1 LEU 533 HD12 LEU 533 0.722 -16.652 5.756 656 3HD1 LEU 533 HD13 LEU 533 1.819 -17.456 4.634 657 1HD2 LEU 533 HD21 LEU 533 -0.528 -15.114 3.110 658 2HD2 LEU 533 HD22 LEU 533 0.362 -13.638 3.476 659 3HD2 LEU 533 HD23 LEU 533 -0.473 -14.505 4.764 660 H LEU 534 HN LEU 534 2.259 -10.682 4.538 661 HA LEU 534 HA LEU 534 0.342 -10.399 6.595 662 1HB LEU 534 HB2 LEU 534 1.858 -8.680 4.856 663 2HB LEU 534 HB1 LEU 534 0.198 -8.135 4.945 664 HG LEU 534 HG LEU 534 2.264 -8.259 7.095 665 1HD1 LEU 534 HD11 LEU 534 0.344 -6.231 6.003 666 2HD1 LEU 534 HD12 LEU 534 2.105 -6.164 6.071 667 3HD1 LEU 534 HD13 LEU 534 1.159 -6.005 7.551 668 1HD2 LEU 534 HD21 LEU 534 -0.694 -8.536 7.441 669 2HD2 LEU 534 HD22 LEU 534 0.271 -7.681 8.646 670 3HD2 LEU 534 HD23 LEU 534 0.614 -9.372 8.277 671 H LEU 535 HN LEU 535 0.176 -10.966 3.216 672 HA LEU 535 HA LEU 535 -2.609 -11.517 3.309 673 1HB LEU 535 HB2 LEU 535 -3.448 -9.727 1.968 674 2HB LEU 535 HB1 LEU 535 -2.586 -9.025 3.324 675 HG LEU 535 HG LEU 535 -1.867 -7.700 1.565 676 1HD1 LEU 535 HD11 LEU 535 0.120 -9.927 1.690 677 2HD1 LEU 535 HD12 LEU 535 0.089 -8.481 2.686 678 3HD1 LEU 535 HD13 LEU 535 0.426 -8.357 0.959 679 1HD2 LEU 535 HD21 LEU 535 -1.319 -9.928 -0.314 680 2HD2 LEU 535 HD22 LEU 535 -1.747 -8.251 -0.646 681 3HD2 LEU 535 HD23 LEU 535 -2.977 -9.381 -0.087 682 H ILE 536 HN ILE 536 0.216 -12.291 2.102 683 HA ILE 536 HA ILE 536 -0.830 -12.870 -0.575 684 HB ILE 536 HB ILE 536 1.065 -12.210 -1.538 685 1HG1 ILE 536 HG12 ILE 536 2.313 -14.191 -0.524 686 2HG1 ILE 536 HG11 ILE 536 3.287 -12.783 -0.919 687 1HG2 ILE 536 HG21 ILE 536 1.497 -11.023 1.195 688 2HG2 ILE 536 HG22 ILE 536 0.542 -10.335 -0.123 689 3HG2 ILE 536 HG23 ILE 536 2.294 -10.481 -0.284 690 1HD1 ILE 536 HD11 ILE 536 4.012 -12.657 1.156 691 2HD1 ILE 536 HD12 ILE 536 3.113 -14.129 1.533 692 3HD1 ILE 536 HD13 ILE 536 2.361 -12.551 1.765 693 H ALA 537 HN ALA 537 -0.830 -14.880 -1.313 694 HA ALA 537 HA ALA 537 0.548 -16.958 0.239 695 1HB ALA 537 HB1 ALA 537 -1.348 -17.956 0.863 696 2HB ALA 537 HB2 ALA 537 -2.085 -17.726 -0.727 697 3HB ALA 537 HB3 ALA 537 -2.122 -16.419 0.464 698 H ASP 538 HN ASP 538 1.992 -17.573 -1.318 699 HA ASP 538 HA ASP 538 2.779 -18.605 -3.185 700 1HB ASP 538 HB2 ASP 538 0.802 -20.147 -2.556 701 2HB ASP 538 HB1 ASP 538 -0.030 -19.388 -3.910 702 H ASP 539 HN ASP 539 -0.412 -17.343 -4.120 703 HA ASP 539 HA ASP 539 0.875 -16.037 -6.422 704 1HB ASP 539 HB2 ASP 539 -1.159 -17.768 -6.529 705 2HB ASP 539 HB1 ASP 539 -2.083 -16.290 -6.279 706 H VAL 540 HN VAL 540 0.091 -15.211 -3.414 707 HA VAL 540 HA VAL 540 -0.415 -13.287 -2.337 708 HB VAL 540 HB VAL 540 0.178 -12.022 -5.004 709 1HG1 VAL 540 HG11 VAL 540 -0.836 -10.333 -3.741 710 2HG1 VAL 540 HG12 VAL 540 0.883 -10.084 -3.449 711 3HG1 VAL 540 HG13 VAL 540 -0.108 -10.888 -2.236 712 1HG2 VAL 540 HG21 VAL 540 1.874 -13.521 -3.409 713 2HG2 VAL 540 HG22 VAL 540 2.265 -11.851 -3.008 714 3HG2 VAL 540 HG23 VAL 540 2.344 -12.399 -4.682 715 H SER 541 HN SER 541 -1.947 -11.554 -2.155 716 HA SER 541 HA SER 541 -4.475 -12.167 -3.417 717 1HB SER 541 HB2 SER 541 -4.030 -11.589 -0.874 718 2HB SER 541 HB1 SER 541 -4.077 -9.925 -1.457 719 HG SER 541 HG SER 541 -6.160 -10.096 -1.440 720 H GLU 542 HN GLU 542 -3.768 -11.564 -5.467 721 HA GLU 542 HA GLU 542 -2.555 -9.299 -6.312 722 1HB GLU 542 HB2 GLU 542 -3.128 -11.280 -7.635 723 2HB GLU 542 HB1 GLU 542 -4.794 -10.726 -7.715 724 1HG GLU 542 HG2 GLU 542 -4.193 -9.762 -9.636 725 2HG GLU 542 HG1 GLU 542 -3.431 -8.539 -8.619 726 H GLN 543 HN GLN 543 -6.065 -9.634 -5.720 727 HA GLN 543 HA GLN 543 -6.842 -7.139 -6.707 728 1HB GLN 543 HB2 GLN 543 -8.370 -8.965 -5.848 729 2HB GLN 543 HB1 GLN 543 -7.963 -8.445 -4.219 730 1HG GLN 543 HG2 GLN 543 -8.754 -6.118 -5.036 731 2HG GLN 543 HG1 GLN 543 -9.555 -7.035 -6.311 732 1HE2 GLN 543 HE21 GLN 543 -9.775 -5.887 -3.170 733 2HE2 GLN 543 HE22 GLN 543 -11.161 -6.783 -2.663 734 H GLU 544 HN GLU 544 -5.616 -8.109 -3.560 735 HA GLU 544 HA GLU 544 -5.635 -5.504 -2.409 736 1HB GLU 544 HB2 GLU 544 -5.730 -7.474 -0.994 737 2HB GLU 544 HB1 GLU 544 -4.190 -8.039 -1.624 738 1HG GLU 544 HG2 GLU 544 -3.089 -6.908 -0.085 739 2HG GLU 544 HG1 GLU 544 -3.868 -5.404 -0.575 740 H LEU 545 HN LEU 545 -3.292 -7.436 -4.191 741 HA LEU 545 HA LEU 545 -0.961 -6.056 -3.644 742 1HB LEU 545 HB2 LEU 545 -0.715 -8.021 -4.866 743 2HB LEU 545 HB1 LEU 545 -1.946 -7.559 -6.022 744 HG LEU 545 HG LEU 545 -0.440 -5.982 -7.076 745 1HD1 LEU 545 HD11 LEU 545 1.659 -6.871 -5.110 746 2HD1 LEU 545 HD12 LEU 545 0.770 -5.353 -4.989 747 3HD1 LEU 545 HD13 LEU 545 1.819 -5.654 -6.375 748 1HD2 LEU 545 HD21 LEU 545 -0.104 -7.915 -8.196 749 2HD2 LEU 545 HD22 LEU 545 0.285 -8.824 -6.735 750 3HD2 LEU 545 HD23 LEU 545 1.502 -7.785 -7.478 751 H GLU 546 HN GLU 546 -3.280 -5.475 -6.226 752 HA GLU 546 HA GLU 546 -2.027 -3.069 -7.110 753 1HB GLU 546 HB2 GLU 546 -4.830 -4.071 -7.636 754 2HB GLU 546 HB1 GLU 546 -3.991 -2.811 -8.533 755 1HG GLU 546 HG2 GLU 546 -3.180 -5.705 -8.388 756 2HG GLU 546 HG1 GLU 546 -4.005 -4.926 -9.738 757 H ASP 547 HN ASP 547 -4.304 -3.916 -4.651 758 HA ASP 547 HA ASP 547 -5.589 -1.391 -4.426 759 1HB ASP 547 HB2 ASP 547 -6.115 -3.839 -3.436 760 2HB ASP 547 HB1 ASP 547 -5.388 -3.096 -2.015 761 H TYR 548 HN TYR 548 -2.966 -2.894 -2.512 762 HA TYR 548 HA TYR 548 -2.689 -0.542 -0.940 763 1HB TYR 548 HB2 TYR 548 -0.691 -1.659 -0.003 764 2HB TYR 548 HB1 TYR 548 -2.158 -2.618 0.080 765 HD1 TYR 548 HD1 TYR 548 -1.992 -4.843 -0.446 766 HD2 TYR 548 HD2 TYR 548 0.759 -2.112 -2.184 767 HE1 TYR 548 HE1 TYR 548 -0.820 -6.701 -1.477 768 HE2 TYR 548 HE2 TYR 548 1.949 -3.977 -3.230 769 HH TYR 548 HH TYR 548 0.686 -7.145 -3.336 770 H ILE 549 HN ILE 549 -0.998 -1.748 -3.834 771 HA ILE 549 HA ILE 549 1.143 0.109 -3.731 772 HB ILE 549 HB ILE 549 -0.234 -0.912 -6.236 773 1HG1 ILE 549 HG12 ILE 549 2.309 -1.976 -5.043 774 2HG1 ILE 549 HG11 ILE 549 0.746 -2.640 -4.591 775 1HG2 ILE 549 HG21 ILE 549 2.369 -0.496 -6.890 776 2HG2 ILE 549 HG22 ILE 549 2.099 0.803 -5.726 777 3HG2 ILE 549 HG23 ILE 549 1.076 0.674 -7.158 778 1HD1 ILE 549 HD11 ILE 549 2.135 -3.750 -6.464 779 2HD1 ILE 549 HD12 ILE 549 1.524 -2.431 -7.463 780 3HD1 ILE 549 HD13 ILE 549 0.397 -3.544 -6.684 781 H ARG 550 HN ARG 550 -2.147 0.270 -5.022 782 HA ARG 550 HA ARG 550 -2.059 2.820 -6.166 783 1HB ARG 550 HB2 ARG 550 -3.926 1.187 -6.435 784 2HB ARG 550 HB1 ARG 550 -4.412 1.518 -4.777 785 1HG ARG 550 HG2 ARG 550 -4.161 3.825 -6.623 786 2HG ARG 550 HG1 ARG 550 -5.527 2.731 -6.845 787 1HD ARG 550 HD2 ARG 550 -4.796 4.226 -4.332 788 2HD ARG 550 HD1 ARG 550 -6.169 4.547 -5.389 789 HE ARG 550 HE ARG 550 -6.347 1.900 -4.518 790 1HH1 ARG 550 HH11 ARG 550 -6.532 5.127 -3.199 791 2HH1 ARG 550 HH12 ARG 550 -7.604 4.675 -1.917 792 1HH2 ARG 550 HH21 ARG 550 -7.758 1.306 -2.832 793 2HH2 ARG 550 HH22 ARG 550 -8.300 2.506 -1.708 794 H HIS 551 HN HIS 551 -2.643 1.747 -2.857 795 HA HIS 551 HA HIS 551 -3.442 4.164 -1.721 796 1HB HIS 551 HB2 HIS 551 -2.612 1.594 -0.790 797 2HB HIS 551 HB1 HIS 551 -1.743 2.814 0.136 798 HD1 HIS 551 HD1 HIS 551 -3.997 0.965 1.318 799 HD2 HIS 551 HD2 HIS 551 -4.506 4.882 0.029 800 HE1 HIS 551 HE1 HIS 551 -6.026 1.815 2.536 801 HE2 HIS 551 HE2 HIS 551 -6.244 4.223 1.828 802 H VAL 552 HN VAL 552 -0.214 2.882 -2.374 803 HA VAL 552 HA VAL 552 1.262 4.943 -1.143 804 HB VAL 552 HB VAL 552 2.070 3.294 -3.547 805 1HG1 VAL 552 HG11 VAL 552 4.341 3.714 -2.170 806 2HG1 VAL 552 HG12 VAL 552 3.475 5.202 -1.787 807 3HG1 VAL 552 HG13 VAL 552 3.781 4.768 -3.469 808 1HG2 VAL 552 HG21 VAL 552 3.192 1.850 -1.822 809 2HG2 VAL 552 HG22 VAL 552 1.430 1.770 -1.836 810 3HG2 VAL 552 HG23 VAL 552 2.260 2.713 -0.598 811 H LEU 553 HN LEU 553 -0.236 4.605 -4.291 812 HA LEU 553 HA LEU 553 0.986 6.786 -5.589 813 1HB LEU 553 HB2 LEU 553 -0.950 4.865 -6.203 814 2HB LEU 553 HB1 LEU 553 -1.782 6.399 -6.369 815 HG LEU 553 HG LEU 553 -0.042 7.157 -7.949 816 1HD1 LEU 553 HD11 LEU 553 1.814 5.811 -7.117 817 2HD1 LEU 553 HD12 LEU 553 1.560 5.548 -8.842 818 3HD1 LEU 553 HD13 LEU 553 1.010 4.345 -7.676 819 1HD2 LEU 553 HD21 LEU 553 -2.162 5.565 -8.446 820 2HD2 LEU 553 HD22 LEU 553 -0.861 4.580 -9.118 821 3HD2 LEU 553 HD23 LEU 553 -1.112 6.225 -9.702 822 H ASN 554 HN ASN 554 -2.196 6.573 -4.007 823 HA ASN 554 HA ASN 554 -3.669 8.218 -3.376 824 1HB ASN 554 HB2 ASN 554 -2.529 9.783 -1.663 825 2HB ASN 554 HB1 ASN 554 -2.561 8.055 -1.337 826 1HD2 ASN 554 HD21 ASN 554 -0.562 10.651 -2.628 827 2HD2 ASN 554 HD22 ASN 554 0.954 9.936 -2.208 828 H ARG 555 HN ARG 555 -3.983 9.153 -5.483 829 HA ARG 555 HA ARG 555 -3.963 11.881 -5.562 830 1HB ARG 555 HB2 ARG 555 -1.690 12.215 -5.697 831 2HB ARG 555 HB1 ARG 555 -1.407 10.722 -6.573 832 1HG ARG 555 HG2 ARG 555 -2.337 11.749 -8.600 833 2HG ARG 555 HG1 ARG 555 -2.585 13.252 -7.709 834 1HD ARG 555 HD2 ARG 555 -0.004 12.888 -7.170 835 2HD ARG 555 HD1 ARG 555 -0.078 12.014 -8.700 836 HE ARG 555 HE ARG 555 -0.191 14.843 -8.330 837 1HH1 ARG 555 HH11 ARG 555 -1.273 12.233 -10.380 838 2HH1 ARG 555 HH12 ARG 555 -1.446 13.239 -11.779 839 1HH2 ARG 555 HH21 ARG 555 -0.420 16.167 -10.167 840 2HH2 ARG 555 HH22 ARG 555 -0.961 15.472 -11.659 841 HA PRO 556 HA PRO 556 -4.907 10.444 -9.997 842 1HB PRO 556 HB2 PRO 556 -3.898 8.180 -10.997 843 2HB PRO 556 HB1 PRO 556 -2.920 9.650 -10.897 844 1HG PRO 556 HG2 PRO 556 -2.959 7.277 -9.067 845 2HG PRO 556 HG1 PRO 556 -1.565 8.156 -9.724 846 1HD PRO 556 HD2 PRO 556 -2.563 8.570 -7.211 847 2HD PRO 556 HD1 PRO 556 -1.713 9.812 -8.151 848 H LYS 557 HN LYS 557 -4.687 7.737 -7.735 849 HA LYS 557 HA LYS 557 -6.155 6.101 -7.140 850 1HB LYS 557 HB2 LYS 557 -7.907 8.372 -7.944 851 2HB LYS 557 HB1 LYS 557 -8.665 6.802 -7.715 852 1HG LYS 557 HG2 LYS 557 -6.892 7.392 -5.528 853 2HG LYS 557 HG1 LYS 557 -8.054 8.698 -5.762 854 1HD LYS 557 HD2 LYS 557 -9.696 6.585 -5.993 855 2HD LYS 557 HD1 LYS 557 -8.483 5.898 -4.914 856 1HE LYS 557 HE2 LYS 557 -9.363 8.609 -4.212 857 2HE LYS 557 HE1 LYS 557 -10.619 7.376 -4.108 858 1HZ LYS 557 HZ1 LYS 557 -9.081 6.062 -2.713 859 2HZ LYS 557 HZ2 LYS 557 -9.516 7.538 -2.011 860 3HZ LYS 557 HZ3 LYS 557 -7.993 7.359 -2.724 861 H TRP 558 HN TRP 558 -4.973 6.113 -9.807 862 HA TRP 558 HA TRP 558 -6.924 5.138 -11.659 863 1HB TRP 558 HB2 TRP 558 -4.391 6.163 -11.887 864 2HB TRP 558 HB1 TRP 558 -4.121 4.448 -12.185 865 HD1 TRP 558 HD1 TRP 558 -5.001 7.511 -13.939 866 HE1 TRP 558 HE1 TRP 558 -5.988 7.013 -16.266 867 HE3 TRP 558 HE3 TRP 558 -5.884 2.516 -13.378 868 HZ2 TRP 558 HZ2 TRP 558 -6.999 4.782 -17.677 869 HZ3 TRP 558 HZ3 TRP 558 -6.857 1.268 -15.260 870 HH2 TRP 558 HH2 TRP 558 -7.404 2.380 -17.366 871 H LEU 559 HN LEU 559 -4.268 3.644 -9.854 872 HA LEU 559 HA LEU 559 -4.540 1.054 -10.736 873 1HB LEU 559 HB2 LEU 559 -3.616 2.186 -8.119 874 2HB LEU 559 HB1 LEU 559 -3.601 0.460 -8.423 875 HG LEU 559 HG LEU 559 -1.836 0.581 -9.868 876 1HD1 LEU 559 HD11 LEU 559 -1.301 2.413 -11.332 877 2HD1 LEU 559 HD12 LEU 559 -2.482 3.453 -10.537 878 3HD1 LEU 559 HD13 LEU 559 -3.024 2.060 -11.475 879 1HD2 LEU 559 HD21 LEU 559 -0.930 1.385 -7.836 880 2HD2 LEU 559 HD22 LEU 559 -1.562 3.007 -8.116 881 3HD2 LEU 559 HD23 LEU 559 -0.252 2.387 -9.119 882 H MET 560 HN MET 560 -6.585 2.787 -8.521 883 HA MET 560 HA MET 560 -7.797 0.639 -7.192 884 1HB MET 560 HB2 MET 560 -8.126 3.375 -7.210 885 2HB MET 560 HB1 MET 560 -9.632 2.813 -7.922 886 1HG MET 560 HG2 MET 560 -8.557 1.712 -5.346 887 2HG MET 560 HG1 MET 560 -9.593 3.137 -5.413 888 1HE MET 560 HE1 MET 560 -9.257 -0.588 -6.498 889 2HE MET 560 HE2 MET 560 -10.786 -1.229 -5.900 890 3HE MET 560 HE3 MET 560 -9.614 -0.550 -4.771 891 H LEU 561 HN LEU 561 -8.726 2.294 -10.191 892 HA LEU 561 HA LEU 561 -10.868 0.548 -10.812 893 1HB LEU 561 HB2 LEU 561 -10.633 2.812 -11.787 894 2HB LEU 561 HB1 LEU 561 -9.225 2.265 -12.678 895 HG LEU 561 HG LEU 561 -11.846 0.866 -13.046 896 1HD1 LEU 561 HD11 LEU 561 -12.466 3.143 -13.369 897 2HD1 LEU 561 HD12 LEU 561 -12.271 2.410 -14.961 898 3HD1 LEU 561 HD13 LEU 561 -11.013 3.464 -14.316 899 1HD2 LEU 561 HD21 LEU 561 -10.736 0.859 -15.434 900 2HD2 LEU 561 HD22 LEU 561 -10.251 -0.299 -14.196 901 3HD2 LEU 561 HD23 LEU 561 -9.265 1.131 -14.500 902 H LYS 562 HN LYS 562 -7.433 0.598 -11.534 903 HA LYS 562 HA LYS 562 -7.412 -1.478 -13.439 904 1HB LYS 562 HB2 LYS 562 -5.463 -0.077 -13.189 905 2HB LYS 562 HB1 LYS 562 -5.292 -0.537 -11.502 906 1HG LYS 562 HG2 LYS 562 -3.710 -1.600 -13.200 907 2HG LYS 562 HG1 LYS 562 -4.495 -2.660 -12.030 908 1HD LYS 562 HD2 LYS 562 -4.713 -3.795 -14.062 909 2HD LYS 562 HD1 LYS 562 -6.281 -3.016 -13.841 910 1HE LYS 562 HE2 LYS 562 -5.946 -2.323 -15.959 911 2HE LYS 562 HE1 LYS 562 -4.960 -1.083 -15.184 912 1HZ LYS 562 HZ1 LYS 562 -3.170 -3.019 -15.439 913 2HZ LYS 562 HZ2 LYS 562 -3.433 -1.848 -16.631 914 3HZ LYS 562 HZ3 LYS 562 -4.145 -3.375 -16.775 915 H VAL 563 HN VAL 563 -7.330 -1.409 -9.938 916 HA VAL 563 HA VAL 563 -6.728 -4.098 -9.422 917 HB VAL 563 HB VAL 563 -8.509 -2.197 -7.876 918 1HG1 VAL 563 HG11 VAL 563 -7.515 -4.948 -7.261 919 2HG1 VAL 563 HG12 VAL 563 -9.103 -4.237 -6.973 920 3HG1 VAL 563 HG13 VAL 563 -7.737 -3.786 -5.952 921 1HG2 VAL 563 HG21 VAL 563 -5.953 -2.772 -6.683 922 2HG2 VAL 563 HG22 VAL 563 -6.670 -1.220 -7.111 923 3HG2 VAL 563 HG23 VAL 563 -5.754 -2.129 -8.312 924 H LYS 564 HN LYS 564 -9.802 -2.436 -9.941 925 HA LYS 564 HA LYS 564 -11.373 -4.830 -9.760 926 1HB LYS 564 HB2 LYS 564 -11.860 -1.993 -10.036 927 2HB LYS 564 HB1 LYS 564 -12.852 -2.901 -11.169 928 1HG LYS 564 HG2 LYS 564 -14.269 -3.048 -9.442 929 2HG LYS 564 HG1 LYS 564 -13.206 -4.352 -8.913 930 1HD LYS 564 HD2 LYS 564 -12.063 -2.936 -7.403 931 2HD LYS 564 HD1 LYS 564 -12.769 -1.485 -8.116 932 1HE LYS 564 HE2 LYS 564 -13.842 -1.978 -6.001 933 2HE LYS 564 HE1 LYS 564 -14.985 -2.199 -7.325 934 1HZ LYS 564 HZ1 LYS 564 -13.854 -4.161 -5.505 935 2HZ LYS 564 HZ2 LYS 564 -14.010 -4.658 -7.115 936 3HZ LYS 564 HZ3 LYS 564 -15.368 -4.128 -6.258 937 H GLU 565 HN GLU 565 -9.781 -3.016 -12.265 938 HA GLU 565 HA GLU 565 -11.030 -4.170 -14.518 939 1HB GLU 565 HB2 GLU 565 -9.122 -2.229 -14.129 940 2HB GLU 565 HB1 GLU 565 -8.177 -3.555 -14.809 941 1HG GLU 565 HG2 GLU 565 -10.630 -3.162 -16.279 942 2HG GLU 565 HG1 GLU 565 -9.691 -1.673 -16.196 943 H GLN 566 HN GLN 566 -8.169 -5.000 -12.646 944 HA GLN 566 HA GLN 566 -7.393 -7.154 -14.286 945 1HB GLN 566 HB2 GLN 566 -6.684 -6.342 -11.480 946 2HB GLN 566 HB1 GLN 566 -6.033 -7.805 -12.207 947 1HG GLN 566 HG2 GLN 566 -5.600 -5.813 -14.100 948 2HG GLN 566 HG1 GLN 566 -5.228 -5.060 -12.549 949 1HE2 GLN 566 HE21 GLN 566 -3.942 -6.632 -11.068 950 2HE2 GLN 566 HE22 GLN 566 -2.578 -7.383 -11.819 951 H GLU 567 HN GLU 567 -9.574 -6.862 -11.575 952 HA GLU 567 HA GLU 567 -9.758 -9.680 -11.033 953 1HB GLU 567 HB2 GLU 567 -11.101 -7.212 -10.083 954 2HB GLU 567 HB1 GLU 567 -12.060 -8.683 -10.005 955 1HG GLU 567 HG2 GLU 567 -9.322 -8.895 -8.952 956 2HG GLU 567 HG1 GLU 567 -10.413 -7.843 -8.052 957 H LYS 568 HN LYS 568 -11.864 -7.271 -12.512 958 HA LYS 568 HA LYS 568 -13.741 -9.089 -13.548 959 1HB LYS 568 HB2 LYS 568 -12.949 -6.346 -14.561 960 2HB LYS 568 HB1 LYS 568 -14.386 -7.232 -15.054 961 1HG LYS 568 HG2 LYS 568 -13.892 -6.561 -12.179 962 2HG LYS 568 HG1 LYS 568 -14.627 -5.399 -13.284 963 1HD LYS 568 HD2 LYS 568 -16.540 -6.387 -12.582 964 2HD LYS 568 HD1 LYS 568 -16.127 -7.555 -13.838 965 1HE LYS 568 HE2 LYS 568 -14.775 -8.686 -11.894 966 2HE LYS 568 HE1 LYS 568 -15.890 -7.781 -10.873 967 1HZ LYS 568 HZ1 LYS 568 -17.086 -9.273 -13.062 968 2HZ LYS 568 HZ2 LYS 568 -17.622 -9.067 -11.472 969 3HZ LYS 568 HZ3 LYS 568 -16.417 -10.203 -11.816 970 H THR 569 HN THR 569 -10.635 -7.872 -14.611 971 HA THR 569 HA THR 569 -10.614 -8.588 -17.271 972 HB THR 569 HB THR 569 -8.510 -8.365 -15.178 973 HG1 THR 569 HG1 THR 569 -9.336 -6.626 -16.566 974 1HG2 THR 569 HG21 THR 569 -6.832 -8.792 -17.118 975 2HG2 THR 569 HG22 THR 569 -8.115 -9.831 -17.738 976 3HG2 THR 569 HG23 THR 569 -7.424 -10.139 -16.144 977 H GLU 570 HN GLU 570 -9.871 -10.565 -14.407 978 HA GLU 570 HA GLU 570 -9.322 -12.976 -15.739 979 1HB GLU 570 HB2 GLU 570 -10.815 -12.716 -13.115 980 2HB GLU 570 HB1 GLU 570 -9.862 -14.089 -13.662 981 1HG GLU 570 HG2 GLU 570 -8.054 -12.026 -13.734 982 2HG GLU 570 HG1 GLU 570 -9.031 -11.648 -12.316 983 H ALA 571 HN ALA 571 -12.285 -11.399 -14.700 984 HA ALA 571 HA ALA 571 -14.110 -13.393 -15.523 985 1HB ALA 571 HB1 ALA 571 -15.532 -11.980 -14.548 986 2HB ALA 571 HB2 ALA 571 -15.298 -10.829 -15.864 987 3HB ALA 571 HB3 ALA 571 -14.258 -10.765 -14.440 988 H GLU 572 HN GLU 572 -12.361 -10.880 -17.205 989 HA GLU 572 HA GLU 572 -13.850 -10.816 -19.600 990 1HB GLU 572 HB2 GLU 572 -11.634 -9.484 -18.627 991 2HB GLU 572 HB1 GLU 572 -10.955 -10.459 -19.919 992 1HG GLU 572 HG2 GLU 572 -12.152 -9.378 -21.553 993 2HG GLU 572 HG1 GLU 572 -13.408 -8.850 -20.436 994 H ARG 573 HN ARG 573 -11.000 -12.675 -18.595 995 HA ARG 573 HA ARG 573 -10.579 -14.115 -20.943 996 1HB ARG 573 HB2 ARG 573 -10.292 -15.439 -18.260 997 2HB ARG 573 HB1 ARG 573 -9.267 -15.589 -19.681 998 1HG ARG 573 HG2 ARG 573 -8.674 -13.124 -19.260 999 2HG ARG 573 HG1 ARG 573 -9.365 -13.388 -17.657 1000 1HD ARG 573 HD2 ARG 573 -7.808 -15.435 -17.559 1001 2HD ARG 573 HD1 ARG 573 -6.969 -14.682 -18.915 1002 HE ARG 573 HE ARG 573 -7.130 -12.702 -17.055 1003 1HH1 ARG 573 HH11 ARG 573 -5.898 -15.967 -17.036 1004 2HH1 ARG 573 HH12 ARG 573 -4.682 -15.635 -15.849 1005 1HH2 ARG 573 HH21 ARG 573 -5.530 -12.262 -15.494 1006 2HH2 ARG 573 HH22 ARG 573 -4.473 -13.531 -14.974 1007 H ARG 574 HN ARG 574 -12.886 -14.461 -18.357 1008 HA ARG 574 HA ARG 574 -13.979 -16.921 -19.456 1009 1HB ARG 574 HB2 ARG 574 -13.821 -15.954 -16.904 1010 2HB ARG 574 HB1 ARG 574 -15.477 -15.541 -17.329 1011 1HG ARG 574 HG2 ARG 574 -14.655 -18.277 -18.014 1012 2HG ARG 574 HG1 ARG 574 -14.714 -17.910 -16.290 1013 1HD ARG 574 HD2 ARG 574 -17.013 -17.123 -16.531 1014 2HD ARG 574 HD1 ARG 574 -16.955 -17.464 -18.260 1015 HE ARG 574 HE ARG 574 -17.338 -19.667 -17.794 1016 1HH1 ARG 574 HH11 ARG 574 -16.257 -18.086 -14.876 1017 2HH1 ARG 574 HH12 ARG 574 -16.545 -19.467 -13.873 1018 1HH2 ARG 574 HH21 ARG 574 -17.719 -21.484 -16.475 1019 2HH2 ARG 574 HH22 ARG 574 -17.374 -21.395 -14.780 1020 H LYS 575 HN LYS 575 -14.608 -13.472 -19.484 1021 HA LYS 575 HA LYS 575 -17.085 -14.013 -20.995 1022 1HB LYS 575 HB2 LYS 575 -16.402 -11.613 -19.289 1023 2HB LYS 575 HB1 LYS 575 -17.862 -11.778 -20.252 1024 1HG LYS 575 HG2 LYS 575 -17.070 -13.606 -17.995 1025 2HG LYS 575 HG1 LYS 575 -18.207 -12.262 -17.862 1026 1HD LYS 575 HD2 LYS 575 -19.856 -13.375 -18.955 1027 2HD LYS 575 HD1 LYS 575 -18.730 -14.229 -20.010 1028 1HE LYS 575 HE2 LYS 575 -18.364 -15.910 -18.484 1029 2HE LYS 575 HE1 LYS 575 -18.776 -14.891 -17.104 1030 1HZ LYS 575 HZ1 LYS 575 -21.017 -15.206 -17.428 1031 2HZ LYS 575 HZ2 LYS 575 -20.409 -16.720 -17.876 1032 3HZ LYS 575 HZ3 LYS 575 -20.852 -15.602 -19.065 1033 H ASP 576 HN ASP 576 -15.736 -10.806 -20.827 1034 HA ASP 576 HA ASP 576 -15.020 -9.380 -22.430 1035 1HB ASP 576 HB2 ASP 576 -13.046 -9.972 -23.542 1036 2HB ASP 576 HB1 ASP 576 -13.043 -10.992 -22.110 1037 H PHE 577 HN PHE 577 -14.928 -8.882 -24.775 1038 HA PHE 577 HA PHE 577 -15.998 -8.643 -26.759 1039 1HB PHE 577 HB2 PHE 577 -15.427 -11.473 -26.464 1040 2HB PHE 577 HB1 PHE 577 -16.841 -11.202 -27.476 1041 HD1 PHE 577 HD1 PHE 577 -16.384 -11.206 -29.713 1042 HD2 PHE 577 HD2 PHE 577 -13.506 -9.575 -27.036 1043 HE1 PHE 577 HE1 PHE 577 -14.921 -10.672 -31.618 1044 HE2 PHE 577 HE2 PHE 577 -12.038 -9.038 -28.936 1045 HZ PHE 577 HZ PHE 577 -12.745 -9.586 -31.231 1046 H LEU 578 HN LEU 578 -17.930 -11.458 -25.834 1047 HA LEU 578 HA LEU 578 -20.352 -10.033 -26.372 1048 1HB LEU 578 HB2 LEU 578 -19.535 -12.768 -26.013 1049 2HB LEU 578 HB1 LEU 578 -20.969 -12.444 -25.057 1050 HG LEU 578 HG LEU 578 -22.070 -11.562 -27.125 1051 1HD1 LEU 578 HD11 LEU 578 -21.119 -11.880 -29.255 1052 2HD1 LEU 578 HD12 LEU 578 -19.800 -12.856 -28.609 1053 3HD1 LEU 578 HD13 LEU 578 -19.860 -11.125 -28.280 1054 1HD2 LEU 578 HD21 LEU 578 -22.834 -13.663 -26.701 1055 2HD2 LEU 578 HD22 LEU 578 -21.220 -14.374 -26.712 1056 3HD2 LEU 578 HD23 LEU 578 -22.018 -13.974 -28.233 1057 H THR 579 HN THR 579 -19.182 -11.686 -23.425 1058 HA THR 579 HA THR 579 -21.061 -10.103 -21.850 1059 HB THR 579 HB THR 579 -19.798 -11.721 -20.048 1060 HG1 THR 579 HG1 THR 579 -18.629 -12.698 -21.808 1061 1HG2 THR 579 HG21 THR 579 -21.970 -12.958 -21.646 1062 2HG2 THR 579 HG22 THR 579 -22.306 -11.466 -20.768 1063 3HG2 THR 579 HG23 THR 579 -21.743 -12.893 -19.898 1064 H ALA 580 HN ALA 580 -18.651 -8.894 -23.027 1065 HA ALA 580 HA ALA 580 -16.654 -8.491 -21.086 1066 1HB ALA 580 HB1 ALA 580 -17.515 -6.773 -23.406 1067 2HB ALA 580 HB2 ALA 580 -16.213 -7.962 -23.379 1068 3HB ALA 580 HB3 ALA 580 -16.073 -6.479 -22.434 1069 H ALA 581 HN ALA 581 -19.869 -7.440 -21.128 1070 HA ALA 581 HA ALA 581 -19.855 -4.891 -20.113 1071 1HB ALA 581 HB1 ALA 581 -22.049 -5.209 -19.702 1072 2HB ALA 581 HB2 ALA 581 -21.782 -6.728 -18.846 1073 3HB ALA 581 HB3 ALA 581 -21.779 -6.697 -20.609 1074 H ARG 582 HN ARG 582 -19.015 -7.865 -18.458 1075 HA ARG 582 HA ARG 582 -19.271 -7.058 -15.810 1076 1HB ARG 582 HB2 ARG 582 -17.123 -8.840 -16.972 1077 2HB ARG 582 HB1 ARG 582 -17.608 -8.772 -15.284 1078 1HG ARG 582 HG2 ARG 582 -19.438 -9.576 -17.535 1079 2HG ARG 582 HG1 ARG 582 -18.522 -10.710 -16.540 1080 1HD ARG 582 HD2 ARG 582 -20.256 -8.686 -15.206 1081 2HD ARG 582 HD1 ARG 582 -21.009 -10.096 -15.951 1082 HE ARG 582 HE ARG 582 -19.426 -10.036 -13.550 1083 1HH1 ARG 582 HH11 ARG 582 -20.579 -12.029 -16.174 1084 2HH1 ARG 582 HH12 ARG 582 -20.417 -13.507 -15.287 1085 1HH2 ARG 582 HH21 ARG 582 -19.212 -11.979 -12.384 1086 2HH2 ARG 582 HH22 ARG 582 -19.642 -13.479 -13.135 1087 H ILE 583 HN ILE 583 -16.488 -6.723 -17.991 1088 HA ILE 583 HA ILE 583 -14.868 -5.351 -16.090 1089 HB ILE 583 HB ILE 583 -14.527 -5.150 -19.070 1090 1HG1 ILE 583 HG12 ILE 583 -14.823 -7.571 -17.869 1091 2HG1 ILE 583 HG11 ILE 583 -13.830 -7.292 -19.289 1092 1HG2 ILE 583 HG21 ILE 583 -13.109 -3.750 -17.636 1093 2HG2 ILE 583 HG22 ILE 583 -12.175 -4.949 -18.533 1094 3HG2 ILE 583 HG23 ILE 583 -12.521 -5.200 -16.822 1095 1HD1 ILE 583 HD11 ILE 583 -12.796 -8.651 -17.464 1096 2HD1 ILE 583 HD12 ILE 583 -12.742 -7.175 -16.483 1097 3HD1 ILE 583 HD13 ILE 583 -11.850 -7.263 -18.001 1098 H ALA 584 HN ALA 584 -16.655 -4.256 -18.971 1099 HA ALA 584 HA ALA 584 -16.088 -1.538 -18.745 1100 1HB ALA 584 HB1 ALA 584 -17.495 -1.271 -20.487 1101 2HB ALA 584 HB2 ALA 584 -18.769 -2.242 -19.751 1102 3HB ALA 584 HB3 ALA 584 -17.406 -3.031 -20.544 1103 H LYS 585 HN LYS 585 -18.956 -3.304 -17.565 1104 HA LYS 585 HA LYS 585 -20.244 -1.140 -16.372 1105 1HB LYS 585 HB2 LYS 585 -21.280 -3.356 -16.737 1106 2HB LYS 585 HB1 LYS 585 -20.269 -4.023 -15.462 1107 1HG LYS 585 HG2 LYS 585 -21.395 -2.049 -14.081 1108 2HG LYS 585 HG1 LYS 585 -22.664 -2.298 -15.281 1109 1HD LYS 585 HD2 LYS 585 -23.006 -4.522 -14.622 1110 2HD LYS 585 HD1 LYS 585 -21.467 -4.593 -13.760 1111 1HE LYS 585 HE2 LYS 585 -22.277 -3.420 -11.947 1112 2HE LYS 585 HE1 LYS 585 -23.548 -2.639 -12.887 1113 1HZ LYS 585 HZ1 LYS 585 -24.454 -4.298 -11.389 1114 2HZ LYS 585 HZ2 LYS 585 -23.494 -5.500 -12.090 1115 3HZ LYS 585 HZ3 LYS 585 -24.713 -4.756 -12.997 1116 H GLU 586 HN GLU 586 -17.799 -3.338 -15.077 1117 HA GLU 586 HA GLU 586 -17.853 -2.256 -12.448 1118 1HB GLU 586 HB2 GLU 586 -17.055 -4.500 -12.806 1119 2HB GLU 586 HB1 GLU 586 -15.790 -3.929 -13.880 1120 1HG GLU 586 HG2 GLU 586 -14.410 -3.711 -12.169 1121 2HG GLU 586 HG1 GLU 586 -15.522 -2.585 -11.393 1122 H MET 587 HN MET 587 -15.668 -1.759 -15.233 1123 HA MET 587 HA MET 587 -13.928 0.056 -13.968 1124 1HB MET 587 HB2 MET 587 -14.741 -0.118 -16.883 1125 2HB MET 587 HB1 MET 587 -13.428 0.879 -16.284 1126 1HG MET 587 HG2 MET 587 -13.536 -2.009 -16.793 1127 2HG MET 587 HG1 MET 587 -12.192 -0.882 -16.911 1128 1HE MET 587 HE1 MET 587 -13.130 -4.002 -15.389 1129 2HE MET 587 HE2 MET 587 -14.373 -3.070 -14.545 1130 3HE MET 587 HE3 MET 587 -13.066 -3.824 -13.633 1131 H ILE 588 HN ILE 588 -16.991 0.506 -15.664 1132 HA ILE 588 HA ILE 588 -17.020 3.312 -15.669 1133 HB ILE 588 HB ILE 588 -19.019 1.158 -16.006 1134 1HG1 ILE 588 HG12 ILE 588 -19.613 3.290 -17.680 1135 2HG1 ILE 588 HG11 ILE 588 -17.866 3.389 -17.488 1136 1HG2 ILE 588 HG21 ILE 588 -20.224 2.374 -14.349 1137 2HG2 ILE 588 HG22 ILE 588 -20.922 2.768 -15.920 1138 3HG2 ILE 588 HG23 ILE 588 -19.845 3.914 -15.122 1139 1HD1 ILE 588 HD11 ILE 588 -17.551 1.228 -18.369 1140 2HD1 ILE 588 HD12 ILE 588 -18.708 2.031 -19.432 1141 3HD1 ILE 588 HD13 ILE 588 -19.269 0.848 -18.249 1142 H GLU 589 HN GLU 589 -17.888 0.897 -13.273 1143 HA GLU 589 HA GLU 589 -19.022 2.758 -11.407 1144 1HB GLU 589 HB2 GLU 589 -18.211 -0.116 -11.344 1145 2HB GLU 589 HB1 GLU 589 -18.403 0.722 -9.810 1146 1HG GLU 589 HG2 GLU 589 -20.584 0.972 -11.800 1147 2HG GLU 589 HG1 GLU 589 -20.391 -0.574 -10.977 1148 H MET 590 HN MET 590 -15.885 1.400 -12.070 1149 HA MET 590 HA MET 590 -14.584 2.391 -9.742 1150 1HB MET 590 HB2 MET 590 -13.743 1.121 -12.300 1151 2HB MET 590 HB1 MET 590 -12.530 2.006 -11.386 1152 1HG MET 590 HG2 MET 590 -12.679 -0.468 -10.948 1153 2HG MET 590 HG1 MET 590 -12.728 0.579 -9.532 1154 1HE MET 590 HE1 MET 590 -15.353 1.210 -8.339 1155 2HE MET 590 HE2 MET 590 -14.064 0.160 -7.747 1156 3HE MET 590 HE3 MET 590 -15.738 -0.394 -7.714 1157 H LYS 591 HN LYS 591 -15.272 3.646 -12.921 1158 HA LYS 591 HA LYS 591 -13.433 5.824 -12.809 1159 1HB LYS 591 HB2 LYS 591 -15.872 5.278 -14.499 1160 2HB LYS 591 HB1 LYS 591 -14.914 6.743 -14.667 1161 1HG LYS 591 HG2 LYS 591 -13.011 5.527 -15.374 1162 2HG LYS 591 HG1 LYS 591 -13.742 3.987 -14.918 1163 1HD LYS 591 HD2 LYS 591 -15.598 4.903 -16.646 1164 2HD LYS 591 HD1 LYS 591 -14.148 5.644 -17.325 1165 1HE LYS 591 HE2 LYS 591 -13.088 3.525 -17.575 1166 2HE LYS 591 HE1 LYS 591 -14.351 2.718 -16.645 1167 1HZ LYS 591 HZ1 LYS 591 -15.845 2.875 -18.379 1168 2HZ LYS 591 HZ2 LYS 591 -14.396 2.580 -19.200 1169 3HZ LYS 591 HZ3 LYS 591 -15.024 4.149 -19.132 1170 H LYS 592 HN LYS 592 -16.749 5.297 -11.817 1171 HA LYS 592 HA LYS 592 -17.387 8.025 -11.329 1172 1HB LYS 592 HB2 LYS 592 -18.637 5.407 -10.889 1173 2HB LYS 592 HB1 LYS 592 -19.045 6.602 -9.666 1174 1HG LYS 592 HG2 LYS 592 -20.696 6.647 -11.404 1175 2HG LYS 592 HG1 LYS 592 -19.762 8.143 -11.456 1176 1HD LYS 592 HD2 LYS 592 -18.514 6.170 -13.123 1177 2HD LYS 592 HD1 LYS 592 -20.221 6.310 -13.548 1178 1HE LYS 592 HE2 LYS 592 -18.519 8.749 -13.187 1179 2HE LYS 592 HE1 LYS 592 -18.511 7.860 -14.709 1180 1HZ LYS 592 HZ1 LYS 592 -20.838 8.239 -14.966 1181 2HZ LYS 592 HZ2 LYS 592 -20.109 9.730 -14.637 1182 3HZ LYS 592 HZ3 LYS 592 -20.966 8.922 -13.423 1183 H MET 593 HN MET 593 -16.189 5.394 -9.277 1184 HA MET 593 HA MET 593 -16.297 6.868 -6.862 1185 1HB MET 593 HB2 MET 593 -14.618 5.075 -6.090 1186 2HB MET 593 HB1 MET 593 -16.239 4.570 -6.540 1187 1HG MET 593 HG2 MET 593 -15.522 3.366 -8.280 1188 2HG MET 593 HG1 MET 593 -14.299 4.549 -8.723 1189 1HE MET 593 HE1 MET 593 -12.671 2.835 -9.438 1190 2HE MET 593 HE2 MET 593 -11.473 2.223 -8.302 1191 3HE MET 593 HE3 MET 593 -11.722 3.961 -8.468 1192 H LEU 594 HN LEU 594 -13.705 6.331 -9.218 1193 HA LEU 594 HA LEU 594 -11.766 7.754 -7.655 1194 1HB LEU 594 HB2 LEU 594 -10.333 7.567 -9.642 1195 2HB LEU 594 HB1 LEU 594 -11.019 6.027 -9.163 1196 HG LEU 594 HG LEU 594 -12.836 6.627 -10.972 1197 1HD1 LEU 594 HD11 LEU 594 -10.708 7.788 -12.573 1198 2HD1 LEU 594 HD12 LEU 594 -11.196 8.832 -11.239 1199 3HD1 LEU 594 HD13 LEU 594 -12.394 8.275 -12.406 1200 1HD2 LEU 594 HD21 LEU 594 -11.339 4.684 -11.008 1201 2HD2 LEU 594 HD22 LEU 594 -10.061 5.687 -11.695 1202 3HD2 LEU 594 HD23 LEU 594 -11.535 5.386 -12.614 1203 H SER 595 HN SER 595 -14.123 8.589 -10.060 1204 HA SER 595 HA SER 595 -13.177 11.375 -9.949 1205 1HB SER 595 HB2 SER 595 -13.802 9.686 -12.287 1206 2HB SER 595 HB1 SER 595 -14.503 11.304 -12.328 1207 HG SER 595 HG SER 595 -11.774 10.844 -11.736 1208 H SER 596 HN SER 596 -14.580 12.374 -8.651 1209 HA SER 596 HA SER 596 -17.441 12.116 -9.270 1210 1HB SER 596 HB2 SER 596 -17.891 12.357 -6.798 1211 2HB SER 596 HB1 SER 596 -17.153 10.825 -7.268 1212 HG SER 596 HG SER 596 -15.537 11.297 -6.026 1213 H SER 597 HN SER 597 -15.256 14.016 -7.183 1214 HA SER 597 HA SER 597 -16.532 16.453 -8.244 1215 1HB SER 597 HB2 SER 597 -16.969 15.839 -5.779 1216 2HB SER 597 HB1 SER 597 -15.284 16.283 -5.506 1217 HG SER 597 HG SER 597 -17.329 17.938 -6.571 Start of MODEL 7 1 1H MET 452 HT1 MET 452 3.824 3.110 20.867 2 2H MET 452 HT2 MET 452 3.042 3.883 22.184 3 3H MET 452 HT3 MET 452 2.860 2.193 21.947 4 HA MET 452 HA MET 452 5.210 3.697 22.840 5 1HB MET 452 HB2 MET 452 5.078 2.111 24.701 6 2HB MET 452 HB1 MET 452 3.558 2.973 24.504 7 1HG MET 452 HG2 MET 452 3.549 0.536 22.974 8 2HG MET 452 HG1 MET 452 3.944 0.217 24.662 9 1HE MET 452 HE1 MET 452 1.414 -0.397 22.565 10 2HE MET 452 HE2 MET 452 1.090 1.283 22.136 11 3HE MET 452 HE3 MET 452 -0.096 0.366 23.064 12 H ALA 453 HN ALA 453 4.110 0.893 21.087 13 HA ALA 453 HA ALA 453 6.789 -0.281 21.110 14 1HB ALA 453 HB1 ALA 453 5.843 -2.283 20.594 15 2HB ALA 453 HB2 ALA 453 4.573 -1.556 19.609 16 3HB ALA 453 HB3 ALA 453 4.455 -1.518 21.368 17 H LYS 454 HN LYS 454 5.554 2.141 19.470 18 HA LYS 454 HA LYS 454 5.941 3.109 17.452 19 1HB LYS 454 HB2 LYS 454 8.205 1.307 17.889 20 2HB LYS 454 HB1 LYS 454 7.909 1.643 16.188 21 1HG LYS 454 HG2 LYS 454 7.726 4.126 17.369 22 2HG LYS 454 HG1 LYS 454 9.031 3.339 18.258 23 1HD LYS 454 HD2 LYS 454 9.971 4.500 16.375 24 2HD LYS 454 HD1 LYS 454 10.089 2.764 16.083 25 1HE LYS 454 HE2 LYS 454 9.208 3.283 14.080 26 2HE LYS 454 HE1 LYS 454 7.683 3.307 14.966 27 1HZ LYS 454 HZ1 LYS 454 9.392 5.690 14.503 28 2HZ LYS 454 HZ2 LYS 454 7.857 5.671 15.212 29 3HZ LYS 454 HZ3 LYS 454 8.036 5.289 13.574 30 H LYS 455 HN LYS 455 4.023 0.890 17.703 31 HA LYS 455 HA LYS 455 4.069 -0.143 14.948 32 1HB LYS 455 HB2 LYS 455 3.529 -1.401 17.450 33 2HB LYS 455 HB1 LYS 455 2.046 -1.416 16.504 34 1HG LYS 455 HG2 LYS 455 2.807 -3.135 15.343 35 2HG LYS 455 HG1 LYS 455 4.159 -2.154 14.774 36 1HD LYS 455 HD2 LYS 455 4.161 -3.572 17.430 37 2HD LYS 455 HD1 LYS 455 4.771 -4.307 15.946 38 1HE LYS 455 HE2 LYS 455 5.894 -1.698 16.214 39 2HE LYS 455 HE1 LYS 455 6.116 -2.570 17.730 40 1HZ LYS 455 HZ1 LYS 455 7.385 -4.181 16.719 41 2HZ LYS 455 HZ2 LYS 455 7.860 -2.803 15.861 42 3HZ LYS 455 HZ3 LYS 455 6.756 -3.886 15.176 43 H LEU 456 HN LEU 456 2.486 0.390 13.552 44 HA LEU 456 HA LEU 456 0.679 1.446 12.663 45 1HB LEU 456 HB2 LEU 456 -0.273 0.581 15.336 46 2HB LEU 456 HB1 LEU 456 -1.243 1.782 14.505 47 HG LEU 456 HG LEU 456 -1.247 0.175 12.516 48 1HD1 LEU 456 HD11 LEU 456 0.612 -1.190 13.909 49 2HD1 LEU 456 HD12 LEU 456 -0.431 -1.918 12.686 50 3HD1 LEU 456 HD13 LEU 456 -0.846 -2.056 14.394 51 1HD2 LEU 456 HD21 LEU 456 -2.620 -0.864 14.981 52 2HD2 LEU 456 HD22 LEU 456 -3.175 -0.928 13.309 53 3HD2 LEU 456 HD23 LEU 456 -3.122 0.615 14.161 54 H LEU 457 HN LEU 457 1.275 3.464 12.151 55 HA LEU 457 HA LEU 457 0.474 5.628 13.847 56 1HB LEU 457 HB2 LEU 457 3.327 4.861 13.627 57 2HB LEU 457 HB1 LEU 457 2.965 6.572 13.499 58 HG LEU 457 HG LEU 457 1.533 5.885 15.723 59 1HD1 LEU 457 HD11 LEU 457 4.108 4.536 16.279 60 2HD1 LEU 457 HD12 LEU 457 2.896 3.622 15.381 61 3HD1 LEU 457 HD13 LEU 457 2.509 4.269 16.975 62 1HD2 LEU 457 HD21 LEU 457 3.007 7.246 16.862 63 2HD2 LEU 457 HD22 LEU 457 3.293 7.730 15.191 64 3HD2 LEU 457 HD23 LEU 457 4.413 6.630 15.995 65 HA PRO 458 HA PRO 458 2.531 7.409 9.679 66 1HB PRO 458 HB2 PRO 458 2.662 5.179 7.924 67 2HB PRO 458 HB1 PRO 458 4.009 6.114 8.572 68 1HG PRO 458 HG2 PRO 458 2.866 3.541 9.523 69 2HG PRO 458 HG1 PRO 458 4.539 4.122 9.588 70 1HD PRO 458 HD2 PRO 458 3.031 4.047 11.777 71 2HD PRO 458 HD1 PRO 458 4.137 5.407 11.488 72 H ALA 459 HN ALA 459 1.545 7.390 7.377 73 HA ALA 459 HA ALA 459 -1.322 7.234 7.721 74 1HB ALA 459 HB1 ALA 459 -0.781 9.209 6.698 75 2HB ALA 459 HB2 ALA 459 -1.184 8.214 5.299 76 3HB ALA 459 HB3 ALA 459 0.504 8.486 5.730 77 H PHE 460 HN PHE 460 0.445 6.482 4.733 78 HA PHE 460 HA PHE 460 -1.399 4.291 4.253 79 1HB PHE 460 HB2 PHE 460 0.360 5.983 2.609 80 2HB PHE 460 HB1 PHE 460 0.229 4.311 2.072 81 HD1 PHE 460 HD1 PHE 460 -2.501 3.600 2.647 82 HD2 PHE 460 HD2 PHE 460 -0.923 7.277 1.198 83 HE1 PHE 460 HE1 PHE 460 -4.664 4.107 1.590 84 HE2 PHE 460 HE2 PHE 460 -3.083 7.790 0.138 85 HZ PHE 460 HZ PHE 460 -4.957 6.205 0.334 86 H GLN 461 HN GLN 461 0.755 4.031 6.289 87 HA GLN 461 HA GLN 461 2.804 2.353 5.364 88 1HB GLN 461 HB2 GLN 461 2.978 3.333 7.542 89 2HB GLN 461 HB1 GLN 461 1.475 2.591 8.065 90 1HG GLN 461 HG2 GLN 461 3.261 0.541 7.221 91 2HG GLN 461 HG1 GLN 461 4.109 1.616 8.330 92 1HE2 GLN 461 HE21 GLN 461 0.686 0.768 8.261 93 2HE2 GLN 461 HE22 GLN 461 0.653 0.025 9.821 94 H ASN 462 HN ASN 462 -0.557 1.780 6.008 95 HA ASN 462 HA ASN 462 -0.547 -0.982 6.425 96 1HB ASN 462 HB2 ASN 462 -2.518 0.548 6.691 97 2HB ASN 462 HB1 ASN 462 -2.657 0.592 4.935 98 1HD2 ASN 462 HD21 ASN 462 -3.051 -1.321 7.799 99 2HD2 ASN 462 HD22 ASN 462 -3.947 -2.604 7.066 100 H ALA 463 HN ALA 463 -0.784 0.865 3.389 101 HA ALA 463 HA ALA 463 -0.881 -1.448 1.737 102 1HB ALA 463 HB1 ALA 463 -1.684 0.302 0.541 103 2HB ALA 463 HB2 ALA 463 -0.001 0.398 0.020 104 3HB ALA 463 HB3 ALA 463 -0.593 1.464 1.296 105 H GLU 464 HN GLU 464 1.677 0.547 3.038 106 HA GLU 464 HA GLU 464 3.756 -0.497 1.402 107 1HB GLU 464 HB2 GLU 464 3.501 1.387 3.594 108 2HB GLU 464 HB1 GLU 464 4.941 0.394 3.766 109 1HG GLU 464 HG2 GLU 464 4.587 1.376 1.058 110 2HG GLU 464 HG1 GLU 464 4.697 2.674 2.246 111 H ARG 465 HN ARG 465 2.424 -1.427 4.539 112 HA ARG 465 HA ARG 465 4.513 -3.251 5.145 113 1HB ARG 465 HB2 ARG 465 2.962 -4.128 6.887 114 2HB ARG 465 HB1 ARG 465 3.239 -2.396 6.971 115 1HG ARG 465 HG2 ARG 465 1.081 -2.116 5.708 116 2HG ARG 465 HG1 ARG 465 0.797 -3.833 5.986 117 1HD ARG 465 HD2 ARG 465 1.058 -1.634 8.021 118 2HD ARG 465 HD1 ARG 465 -0.343 -2.653 7.702 119 HE ARG 465 HE ARG 465 1.987 -4.110 8.555 120 1HH1 ARG 465 HH11 ARG 465 -0.848 -2.365 9.605 121 2HH1 ARG 465 HH12 ARG 465 -0.921 -3.160 11.141 122 1HH2 ARG 465 HH21 ARG 465 1.892 -5.155 10.576 123 2HH2 ARG 465 HH22 ARG 465 0.634 -4.744 11.693 124 H LEU 466 HN LEU 466 1.151 -3.861 3.995 125 HA LEU 466 HA LEU 466 1.616 -6.634 3.741 126 1HB LEU 466 HB2 LEU 466 -0.338 -6.272 1.908 127 2HB LEU 466 HB1 LEU 466 -0.587 -6.503 3.625 128 HG LEU 466 HG LEU 466 -0.215 -3.701 2.818 129 1HD1 LEU 466 HD11 LEU 466 -2.929 -4.247 2.279 130 2HD1 LEU 466 HD12 LEU 466 -1.967 -5.342 1.287 131 3HD1 LEU 466 HD13 LEU 466 -1.705 -3.602 1.189 132 1HD2 LEU 466 HD21 LEU 466 -2.295 -5.141 4.464 133 2HD2 LEU 466 HD22 LEU 466 -2.075 -3.394 4.365 134 3HD2 LEU 466 HD23 LEU 466 -0.822 -4.401 5.090 135 H LEU 467 HN LEU 467 1.881 -3.999 1.348 136 HA LEU 467 HA LEU 467 2.476 -5.535 -0.904 137 1HB LEU 467 HB2 LEU 467 2.257 -2.997 -0.772 138 2HB LEU 467 HB1 LEU 467 3.907 -2.972 -0.180 139 HG LEU 467 HG LEU 467 3.351 -4.346 -2.772 140 1HD1 LEU 467 HD11 LEU 467 2.169 -2.335 -3.155 141 2HD1 LEU 467 HD12 LEU 467 3.758 -2.127 -3.898 142 3HD1 LEU 467 HD13 LEU 467 3.402 -1.373 -2.343 143 1HD2 LEU 467 HD21 LEU 467 5.645 -2.583 -1.954 144 2HD2 LEU 467 HD22 LEU 467 5.570 -3.726 -3.296 145 3HD2 LEU 467 HD23 LEU 467 5.598 -4.317 -1.633 146 H LEU 468 HN LEU 468 4.428 -4.478 1.779 147 HA LEU 468 HA LEU 468 6.953 -5.346 1.019 148 1HB LEU 468 HB2 LEU 468 5.594 -4.432 3.377 149 2HB LEU 468 HB1 LEU 468 6.619 -5.782 3.800 150 HG LEU 468 HG LEU 468 8.544 -4.589 2.811 151 1HD1 LEU 468 HD11 LEU 468 6.982 -2.072 2.741 152 2HD1 LEU 468 HD12 LEU 468 6.832 -3.179 1.376 153 3HD1 LEU 468 HD13 LEU 468 8.415 -2.543 1.827 154 1HD2 LEU 468 HD21 LEU 468 8.923 -3.286 4.691 155 2HD2 LEU 468 HD22 LEU 468 7.676 -4.395 5.252 156 3HD2 LEU 468 HD23 LEU 468 7.247 -2.750 4.780 157 H ALA 469 HN ALA 469 4.236 -7.046 2.474 158 HA ALA 469 HA ALA 469 5.513 -9.446 3.156 159 1HB ALA 469 HB1 ALA 469 2.666 -9.316 2.232 160 2HB ALA 469 HB2 ALA 469 3.171 -8.608 3.766 161 3HB ALA 469 HB3 ALA 469 3.384 -10.336 3.480 162 H HIS 470 HN HIS 470 3.735 -8.571 0.190 163 HA HIS 470 HA HIS 470 4.302 -11.089 -1.074 164 1HB HIS 470 HB2 HIS 470 2.305 -9.972 -1.774 165 2HB HIS 470 HB1 HIS 470 3.172 -8.473 -2.083 166 HD1 HIS 470 HD1 HIS 470 2.007 -8.673 -4.498 167 HD2 HIS 470 HD2 HIS 470 4.917 -11.510 -3.636 168 HE1 HIS 470 HE1 HIS 470 2.647 -9.672 -6.714 169 HE2 HIS 470 HE2 HIS 470 4.476 -11.319 -6.177 170 H MET 471 HN MET 471 5.416 -7.775 -1.424 171 HA MET 471 HA MET 471 7.250 -8.105 -3.457 172 1HB MET 471 HB2 MET 471 6.385 -5.993 -2.252 173 2HB MET 471 HB1 MET 471 7.741 -6.251 -1.162 174 1HG MET 471 HG2 MET 471 8.096 -6.118 -4.126 175 2HG MET 471 HG1 MET 471 8.071 -4.675 -3.115 176 1HE MET 471 HE1 MET 471 11.067 -5.111 -0.795 177 2HE MET 471 HE2 MET 471 9.504 -5.839 -0.421 178 3HE MET 471 HE3 MET 471 9.580 -4.242 -1.182 179 H MET 472 HN MET 472 7.520 -8.828 -0.061 180 HA MET 472 HA MET 472 10.323 -9.087 0.102 181 1HB MET 472 HB2 MET 472 7.993 -9.833 1.754 182 2HB MET 472 HB1 MET 472 9.451 -10.772 2.030 183 1HG MET 472 HG2 MET 472 10.698 -8.746 2.493 184 2HG MET 472 HG1 MET 472 9.264 -7.773 2.164 185 1HE MET 472 HE1 MET 472 8.150 -7.078 5.456 186 2HE MET 472 HE2 MET 472 7.039 -7.723 4.245 187 3HE MET 472 HE3 MET 472 8.388 -6.688 3.751 188 H ARG 473 HN ARG 473 8.176 -11.046 -1.635 189 HA ARG 473 HA ARG 473 9.965 -13.359 -1.263 190 1HB ARG 473 HB2 ARG 473 8.125 -14.800 -1.943 191 2HB ARG 473 HB1 ARG 473 7.712 -13.825 -0.543 192 1HG ARG 473 HG2 ARG 473 6.017 -12.830 -1.595 193 2HG ARG 473 HG1 ARG 473 6.957 -12.580 -3.064 194 1HD ARG 473 HD2 ARG 473 4.894 -14.120 -3.161 195 2HD ARG 473 HD1 ARG 473 6.381 -14.648 -3.942 196 HE ARG 473 HE ARG 473 5.261 -15.695 -1.439 197 1HH1 ARG 473 HH11 ARG 473 7.666 -15.893 -3.973 198 2HH1 ARG 473 HH12 ARG 473 8.162 -17.492 -3.540 199 1HH2 ARG 473 HH21 ARG 473 5.926 -17.794 -0.875 200 2HH2 ARG 473 HH22 ARG 473 7.178 -18.570 -1.785 201 H SER 474 HN SER 474 8.266 -11.587 -3.889 202 HA SER 474 HA SER 474 9.936 -13.146 -5.752 203 1HB SER 474 HB2 SER 474 7.149 -12.232 -5.862 204 2HB SER 474 HB1 SER 474 8.052 -12.010 -7.361 205 HG SER 474 HG SER 474 7.075 -14.070 -7.262 206 H ARG 475 HN ARG 475 11.198 -12.228 -7.252 207 HA ARG 475 HA ARG 475 12.133 -9.591 -6.865 208 1HB ARG 475 HB2 ARG 475 13.517 -9.984 -8.834 209 2HB ARG 475 HB1 ARG 475 13.535 -11.396 -7.788 210 1HG ARG 475 HG2 ARG 475 11.974 -12.537 -9.236 211 2HG ARG 475 HG1 ARG 475 11.832 -11.103 -10.253 212 1HD ARG 475 HD2 ARG 475 13.857 -11.430 -11.234 213 2HD ARG 475 HD1 ARG 475 14.558 -12.165 -9.792 214 HE ARG 475 HE ARG 475 12.618 -13.899 -10.834 215 1HH1 ARG 475 HH11 ARG 475 15.769 -12.633 -11.644 216 2HH1 ARG 475 HH12 ARG 475 16.231 -14.026 -12.562 217 1HH2 ARG 475 HH21 ARG 475 13.225 -15.732 -12.041 218 2HH2 ARG 475 HH22 ARG 475 14.786 -15.786 -12.789 219 H ASP 476 HN ASP 476 9.633 -10.935 -8.883 220 HA ASP 476 HA ASP 476 9.463 -8.794 -10.740 221 1HB ASP 476 HB2 ASP 476 8.390 -11.293 -10.638 222 2HB ASP 476 HB1 ASP 476 7.001 -10.325 -10.156 223 H VAL 477 HN VAL 477 7.657 -9.683 -7.824 224 HA VAL 477 HA VAL 477 5.994 -7.436 -7.851 225 HB VAL 477 HB VAL 477 5.339 -9.250 -6.455 226 1HG1 VAL 477 HG11 VAL 477 7.443 -10.264 -5.982 227 2HG1 VAL 477 HG12 VAL 477 6.661 -9.889 -4.447 228 3HG1 VAL 477 HG13 VAL 477 7.966 -8.865 -5.048 229 1HG2 VAL 477 HG21 VAL 477 6.193 -6.946 -4.705 230 2HG2 VAL 477 HG22 VAL 477 4.984 -8.160 -4.290 231 3HG2 VAL 477 HG23 VAL 477 4.694 -7.052 -5.630 232 H ALA 478 HN ALA 478 9.206 -8.036 -6.611 233 HA ALA 478 HA ALA 478 9.574 -5.712 -5.107 234 1HB ALA 478 HB1 ALA 478 11.145 -7.885 -5.907 235 2HB ALA 478 HB2 ALA 478 11.569 -6.617 -4.754 236 3HB ALA 478 HB3 ALA 478 11.993 -6.441 -6.460 237 H LEU 479 HN LEU 479 9.763 -6.299 -8.557 238 HA LEU 479 HA LEU 479 10.877 -3.766 -9.224 239 1HB LEU 479 HB2 LEU 479 10.594 -4.382 -11.408 240 2HB LEU 479 HB1 LEU 479 10.491 -5.967 -10.664 241 HG LEU 479 HG LEU 479 7.890 -5.273 -10.601 242 1HD1 LEU 479 HD11 LEU 479 7.270 -4.172 -12.663 243 2HD1 LEU 479 HD12 LEU 479 8.967 -3.999 -13.113 244 3HD1 LEU 479 HD13 LEU 479 8.331 -3.127 -11.718 245 1HD2 LEU 479 HD21 LEU 479 9.417 -7.153 -11.860 246 2HD2 LEU 479 HD22 LEU 479 8.679 -6.315 -13.225 247 3HD2 LEU 479 HD23 LEU 479 7.661 -7.032 -11.976 248 H VAL 480 HN VAL 480 7.681 -5.009 -8.574 249 HA VAL 480 HA VAL 480 6.144 -2.842 -9.505 250 HB VAL 480 HB VAL 480 5.413 -4.624 -7.191 251 1HG1 VAL 480 HG11 VAL 480 3.106 -4.214 -8.208 252 2HG1 VAL 480 HG12 VAL 480 3.869 -2.896 -9.098 253 3HG1 VAL 480 HG13 VAL 480 3.858 -2.879 -7.334 254 1HG2 VAL 480 HG21 VAL 480 4.425 -6.146 -8.795 255 2HG2 VAL 480 HG22 VAL 480 6.142 -5.956 -9.143 256 3HG2 VAL 480 HG23 VAL 480 4.945 -5.121 -10.131 257 H VAL 481 HN VAL 481 7.427 -3.537 -6.246 258 HA VAL 481 HA VAL 481 6.337 -1.308 -4.993 259 HB VAL 481 HB VAL 481 7.293 -2.930 -3.586 260 1HG1 VAL 481 HG11 VAL 481 9.622 -3.592 -3.622 261 2HG1 VAL 481 HG12 VAL 481 9.935 -2.493 -4.957 262 3HG1 VAL 481 HG13 VAL 481 8.869 -3.879 -5.189 263 1HG2 VAL 481 HG21 VAL 481 7.968 -0.268 -3.336 264 2HG2 VAL 481 HG22 VAL 481 9.497 -1.107 -3.079 265 3HG2 VAL 481 HG23 VAL 481 8.098 -1.499 -2.080 266 H GLN 482 HN GLN 482 9.549 -1.651 -6.510 267 HA GLN 482 HA GLN 482 10.306 1.034 -6.088 268 1HB GLN 482 HB2 GLN 482 11.684 -1.123 -6.736 269 2HB GLN 482 HB1 GLN 482 11.437 -0.514 -8.366 270 1HG GLN 482 HG2 GLN 482 12.657 1.069 -6.117 271 2HG GLN 482 HG1 GLN 482 13.571 0.199 -7.349 272 1HE2 GLN 482 HE21 GLN 482 12.571 0.745 -9.655 273 2HE2 GLN 482 HE22 GLN 482 12.476 2.440 -9.977 274 H GLU 483 HN GLU 483 9.049 -0.583 -9.013 275 HA GLU 483 HA GLU 483 9.090 1.853 -10.520 276 1HB GLU 483 HB2 GLU 483 9.106 -0.801 -11.164 277 2HB GLU 483 HB1 GLU 483 7.469 -0.332 -11.598 278 1HG GLU 483 HG2 GLU 483 10.031 0.877 -12.605 279 2HG GLU 483 HG1 GLU 483 8.882 -0.105 -13.512 280 H ARG 484 HN ARG 484 6.426 -0.123 -9.180 281 HA ARG 484 HA ARG 484 4.509 1.842 -10.122 282 1HB ARG 484 HB2 ARG 484 4.263 -0.851 -8.822 283 2HB ARG 484 HB1 ARG 484 2.871 0.210 -8.987 284 1HG ARG 484 HG2 ARG 484 4.518 -0.349 -11.397 285 2HG ARG 484 HG1 ARG 484 3.433 -1.605 -10.798 286 1HD ARG 484 HD2 ARG 484 1.540 -0.353 -11.210 287 2HD ARG 484 HD1 ARG 484 2.410 1.178 -11.142 288 HE ARG 484 HE ARG 484 2.071 -0.537 -13.437 289 1HH1 ARG 484 HH11 ARG 484 3.947 2.039 -12.009 290 2HH1 ARG 484 HH12 ARG 484 4.525 2.628 -13.531 291 1HH2 ARG 484 HH21 ARG 484 2.833 0.237 -15.437 292 2HH2 ARG 484 HH22 ARG 484 3.893 1.606 -15.476 293 H ILE 485 HN ILE 485 6.388 1.641 -7.383 294 HA ILE 485 HA ILE 485 4.572 3.445 -6.001 295 HB ILE 485 HB ILE 485 3.880 2.035 -4.445 296 1HG1 ILE 485 HG12 ILE 485 6.807 1.476 -3.898 297 2HG1 ILE 485 HG11 ILE 485 5.780 2.642 -3.072 298 1HG2 ILE 485 HG21 ILE 485 5.601 0.051 -5.898 299 2HG2 ILE 485 HG22 ILE 485 3.870 0.310 -6.052 300 3HG2 ILE 485 HG23 ILE 485 4.522 -0.399 -4.578 301 1HD1 ILE 485 HD11 ILE 485 6.233 -0.104 -2.469 302 2HD1 ILE 485 HD12 ILE 485 4.517 0.147 -2.831 303 3HD1 ILE 485 HD13 ILE 485 5.304 1.100 -1.572 304 H GLY 486 HN GLY 486 5.588 4.464 -4.088 305 1HA GLY 486 HA2 GLY 486 7.861 4.682 -2.968 306 2HA GLY 486 HA1 GLY 486 8.469 4.859 -4.607 307 H GLY 487 HN GLY 487 7.406 6.489 -1.893 308 1HA GLY 487 HA2 GLY 487 7.653 9.030 -3.219 309 2HA GLY 487 HA1 GLY 487 6.012 8.688 -2.695 310 H ARG 488 HN ARG 488 5.603 8.408 -0.433 311 HA ARG 488 HA ARG 488 7.155 10.202 1.177 312 1HB ARG 488 HB2 ARG 488 4.584 9.715 1.212 313 2HB ARG 488 HB1 ARG 488 5.033 8.407 2.296 314 1HG ARG 488 HG2 ARG 488 4.398 10.336 3.578 315 2HG ARG 488 HG1 ARG 488 6.127 10.044 3.777 316 1HD ARG 488 HD2 ARG 488 6.687 11.831 2.326 317 2HD ARG 488 HD1 ARG 488 5.024 11.986 1.761 318 HE ARG 488 HE ARG 488 6.158 13.142 4.122 319 1HH1 ARG 488 HH11 ARG 488 3.202 11.971 2.685 320 2HH1 ARG 488 HH12 ARG 488 2.181 12.955 3.680 321 1HH2 ARG 488 HH21 ARG 488 4.820 14.435 5.432 322 2HH2 ARG 488 HH22 ARG 488 3.099 14.354 5.240 323 H PHE 489 HN PHE 489 8.018 9.645 3.300 324 HA PHE 489 HA PHE 489 9.386 7.059 3.210 325 1HB PHE 489 HB2 PHE 489 10.749 8.126 5.109 326 2HB PHE 489 HB1 PHE 489 10.947 8.797 3.494 327 HD1 PHE 489 HD1 PHE 489 10.650 11.066 3.125 328 HD2 PHE 489 HD2 PHE 489 9.091 9.303 6.671 329 HE1 PHE 489 HE1 PHE 489 10.079 13.301 3.979 330 HE2 PHE 489 HE2 PHE 489 8.515 11.535 7.532 331 HZ PHE 489 HZ PHE 489 9.007 13.538 6.185 332 H ASN 490 HN ASN 490 9.210 5.531 4.783 333 HA ASN 490 HA ASN 490 7.376 6.092 7.015 334 1HB ASN 490 HB2 ASN 490 7.064 4.181 4.858 335 2HB ASN 490 HB1 ASN 490 7.082 3.368 6.419 336 1HD2 ASN 490 HD21 ASN 490 4.828 3.074 5.249 337 2HD2 ASN 490 HD22 ASN 490 3.600 4.140 5.832 338 H ILE 491 HN ILE 491 7.509 3.647 8.289 339 HA ILE 491 HA ILE 491 9.717 3.829 9.897 340 HB ILE 491 HB ILE 491 8.347 1.226 9.215 341 1HG1 ILE 491 HG12 ILE 491 7.471 2.585 11.642 342 2HG1 ILE 491 HG11 ILE 491 7.149 3.536 10.198 343 1HG2 ILE 491 HG21 ILE 491 9.956 2.146 11.584 344 2HG2 ILE 491 HG22 ILE 491 10.298 0.803 10.494 345 3HG2 ILE 491 HG23 ILE 491 8.935 0.708 11.607 346 1HD1 ILE 491 HD11 ILE 491 5.944 1.022 11.117 347 2HD1 ILE 491 HD12 ILE 491 6.259 1.135 9.385 348 3HD1 ILE 491 HD13 ILE 491 5.250 2.344 10.180 349 H GLU 492 HN GLU 492 11.600 2.425 10.141 350 HA GLU 492 HA GLU 492 13.214 2.383 7.872 351 1HB GLU 492 HB2 GLU 492 13.568 0.680 10.341 352 2HB GLU 492 HB1 GLU 492 14.821 1.165 9.207 353 1HG GLU 492 HG2 GLU 492 15.169 3.060 10.293 354 2HG GLU 492 HG1 GLU 492 13.456 3.474 10.236 355 H GLU 493 HN GLU 493 11.526 -0.323 9.456 356 HA GLU 493 HA GLU 493 12.437 -2.365 7.810 357 1HB GLU 493 HB2 GLU 493 11.161 -2.675 9.924 358 2HB GLU 493 HB1 GLU 493 9.704 -2.189 9.067 359 1HG GLU 493 HG2 GLU 493 11.127 -4.313 7.700 360 2HG GLU 493 HG1 GLU 493 10.668 -4.756 9.342 361 H HIS 494 HN HIS 494 9.939 -0.071 7.305 362 HA HIS 494 HA HIS 494 8.967 -1.365 4.904 363 1HB HIS 494 HB2 HIS 494 8.166 1.266 6.164 364 2HB HIS 494 HB1 HIS 494 7.354 0.493 4.805 365 HD1 HIS 494 HD1 HIS 494 5.636 1.025 7.180 366 HD2 HIS 494 HD2 HIS 494 7.871 -2.456 6.803 367 HE1 HIS 494 HE1 HIS 494 4.523 -0.658 8.682 368 HE2 HIS 494 HE2 HIS 494 5.941 -2.729 8.501 369 H ARG 495 HN ARG 495 10.226 1.883 5.676 370 HA ARG 495 HA ARG 495 10.637 2.745 3.075 371 1HB ARG 495 HB2 ARG 495 11.034 3.862 5.494 372 2HB ARG 495 HB1 ARG 495 12.702 3.496 5.074 373 1HG ARG 495 HG2 ARG 495 11.021 4.870 3.049 374 2HG ARG 495 HG1 ARG 495 11.578 5.796 4.444 375 1HD ARG 495 HD2 ARG 495 13.875 5.259 3.937 376 2HD ARG 495 HD1 ARG 495 13.372 4.197 2.623 377 HE ARG 495 HE ARG 495 13.092 6.034 1.283 378 1HH1 ARG 495 HH11 ARG 495 13.378 7.080 4.601 379 2HH1 ARG 495 HH12 ARG 495 13.486 8.759 4.194 380 1HH2 ARG 495 HH21 ARG 495 13.234 8.243 0.746 381 2HH2 ARG 495 HH22 ARG 495 13.404 9.420 2.006 382 H ALA 496 HN ALA 496 12.829 0.968 5.226 383 HA ALA 496 HA ALA 496 14.897 0.774 3.279 384 1HB ALA 496 HB1 ALA 496 16.062 -0.647 4.772 385 2HB ALA 496 HB2 ALA 496 14.593 -0.974 5.699 386 3HB ALA 496 HB3 ALA 496 15.314 0.636 5.731 387 H LEU 497 HN LEU 497 12.159 -1.310 4.194 388 HA LEU 497 HA LEU 497 12.993 -3.641 2.974 389 1HB LEU 497 HB2 LEU 497 10.538 -2.648 3.930 390 2HB LEU 497 HB1 LEU 497 10.237 -3.195 2.298 391 HG LEU 497 HG LEU 497 9.833 -4.880 4.163 392 1HD1 LEU 497 HD11 LEU 497 9.818 -5.711 1.990 393 2HD1 LEU 497 HD12 LEU 497 10.997 -6.716 2.828 394 3HD1 LEU 497 HD13 LEU 497 11.542 -5.419 1.768 395 1HD2 LEU 497 HD21 LEU 497 11.758 -4.525 5.538 396 2HD2 LEU 497 HD22 LEU 497 12.844 -4.861 4.193 397 3HD2 LEU 497 HD23 LEU 497 11.851 -6.151 4.865 398 H ALA 498 HN ALA 498 11.158 -1.004 1.548 399 HA ALA 498 HA ALA 498 11.249 -1.839 -1.131 400 1HB ALA 498 HB1 ALA 498 9.704 -0.202 -0.837 401 2HB ALA 498 HB2 ALA 498 11.043 0.786 -1.426 402 3HB ALA 498 HB3 ALA 498 10.705 0.700 0.305 403 H ALA 499 HN ALA 499 13.448 -0.047 0.913 404 HA ALA 499 HA ALA 499 15.181 0.967 -1.074 405 1HB ALA 499 HB1 ALA 499 14.848 1.621 1.395 406 2HB ALA 499 HB2 ALA 499 16.462 1.737 0.685 407 3HB ALA 499 HB3 ALA 499 16.042 0.358 1.710 408 H TYR 500 HN TYR 500 15.904 -1.649 1.328 409 HA TYR 500 HA TYR 500 18.251 -2.268 -0.007 410 1HB TYR 500 HB2 TYR 500 18.620 -4.038 1.499 411 2HB TYR 500 HB1 TYR 500 17.904 -2.696 2.382 412 HD1 TYR 500 HD1 TYR 500 15.129 -3.405 1.026 413 HD2 TYR 500 HD2 TYR 500 17.972 -5.493 3.352 414 HE1 TYR 500 HE1 TYR 500 13.386 -4.852 1.811 415 HE2 TYR 500 HE2 TYR 500 16.215 -6.979 4.166 416 HH TYR 500 HH TYR 500 12.885 -6.711 3.012 417 H ILE 501 HN ILE 501 15.067 -3.165 -0.741 418 HA ILE 501 HA ILE 501 15.758 -5.605 -2.122 419 HB ILE 501 HB ILE 501 13.495 -5.275 -3.252 420 1HG1 ILE 501 HG12 ILE 501 12.219 -3.654 -1.396 421 2HG1 ILE 501 HG11 ILE 501 13.703 -2.789 -1.756 422 1HG2 ILE 501 HG21 ILE 501 12.437 -6.364 -1.541 423 2HG2 ILE 501 HG22 ILE 501 13.135 -5.325 -0.299 424 3HG2 ILE 501 HG23 ILE 501 14.123 -6.567 -1.070 425 1HD1 ILE 501 HD11 ILE 501 11.976 -2.017 -3.209 426 2HD1 ILE 501 HD12 ILE 501 11.597 -3.664 -3.705 427 3HD1 ILE 501 HD13 ILE 501 13.139 -2.940 -4.162 428 H TYR 502 HN TYR 502 15.423 -2.197 -2.850 429 HA TYR 502 HA TYR 502 15.569 -2.331 -5.657 430 1HB TYR 502 HB2 TYR 502 14.950 -0.272 -4.445 431 2HB TYR 502 HB1 TYR 502 16.585 -0.160 -3.803 432 HD1 TYR 502 HD1 TYR 502 17.465 1.790 -4.723 433 HD2 TYR 502 HD2 TYR 502 15.447 -0.968 -7.259 434 HE1 TYR 502 HE1 TYR 502 18.147 3.104 -6.687 435 HE2 TYR 502 HE2 TYR 502 16.126 0.338 -9.229 436 HH TYR 502 HH TYR 502 18.430 2.254 -9.463 437 H ALA 503 HN ALA 503 18.017 -2.173 -3.119 438 HA ALA 503 HA ALA 503 20.268 -2.061 -4.848 439 1HB ALA 503 HB1 ALA 503 20.321 -1.468 -2.434 440 2HB ALA 503 HB2 ALA 503 21.585 -2.604 -2.903 441 3HB ALA 503 HB3 ALA 503 20.155 -3.180 -2.047 442 H PHE 504 HN PHE 504 18.357 -4.656 -3.466 443 HA PHE 504 HA PHE 504 19.953 -6.858 -4.007 444 1HB PHE 504 HB2 PHE 504 17.128 -6.345 -3.472 445 2HB PHE 504 HB1 PHE 504 17.372 -7.735 -4.517 446 HD1 PHE 504 HD1 PHE 504 16.715 -9.444 -3.054 447 HD2 PHE 504 HD2 PHE 504 19.658 -6.620 -1.843 448 HE1 PHE 504 HE1 PHE 504 17.223 -10.829 -1.090 449 HE2 PHE 504 HE2 PHE 504 20.173 -7.995 0.124 450 HZ PHE 504 HZ PHE 504 18.957 -10.106 0.508 451 H TYR 505 HN TYR 505 17.764 -5.058 -6.120 452 HA TYR 505 HA TYR 505 17.816 -6.793 -8.325 453 1HB TYR 505 HB2 TYR 505 17.682 -3.788 -8.552 454 2HB TYR 505 HB1 TYR 505 16.959 -4.989 -9.614 455 HD1 TYR 505 HD1 TYR 505 16.067 -6.609 -6.958 456 HD2 TYR 505 HD2 TYR 505 15.454 -2.690 -8.486 457 HE1 TYR 505 HE1 TYR 505 13.963 -6.457 -5.692 458 HE2 TYR 505 HE2 TYR 505 13.350 -2.523 -7.228 459 HH TYR 505 HH TYR 505 12.429 -4.900 -4.877 460 H GLU 506 HN GLU 506 19.956 -4.157 -7.364 461 HA GLU 506 HA GLU 506 21.562 -4.069 -9.652 462 1HB GLU 506 HB2 GLU 506 21.677 -3.060 -6.926 463 2HB GLU 506 HB1 GLU 506 23.270 -3.506 -7.523 464 1HG GLU 506 HG2 GLU 506 21.891 -2.053 -9.552 465 2HG GLU 506 HG1 GLU 506 21.803 -1.159 -8.036 466 H GLU 507 HN GLU 507 21.654 -6.141 -6.809 467 HA GLU 507 HA GLU 507 24.151 -7.336 -7.229 468 1HB GLU 507 HB2 GLU 507 21.688 -8.040 -5.740 469 2HB GLU 507 HB1 GLU 507 22.785 -9.366 -6.100 470 1HG GLU 507 HG2 GLU 507 24.461 -7.394 -5.160 471 2HG GLU 507 HG1 GLU 507 23.020 -7.223 -4.158 472 H GLY 508 HN GLY 508 20.922 -8.400 -8.315 473 1HA GLY 508 HA2 GLY 508 20.710 -9.209 -10.609 474 2HA GLY 508 HA1 GLY 508 22.284 -9.963 -10.421 475 H HIS 509 HN HIS 509 19.117 -9.983 -8.777 476 HA HIS 509 HA HIS 509 18.293 -12.514 -9.271 477 1HB HIS 509 HB2 HIS 509 19.008 -13.840 -7.301 478 2HB HIS 509 HB1 HIS 509 20.359 -13.427 -8.345 479 HD1 HIS 509 HD1 HIS 509 19.343 -13.392 -4.898 480 HD2 HIS 509 HD2 HIS 509 21.852 -11.079 -7.269 481 HE1 HIS 509 HE1 HIS 509 20.830 -12.153 -3.293 482 HE2 HIS 509 HE2 HIS 509 22.318 -10.733 -4.748 483 H GLU 510 HN GLU 510 18.926 -10.420 -6.493 484 HA GLU 510 HA GLU 510 17.607 -9.747 -4.754 485 1HB GLU 510 HB2 GLU 510 15.685 -8.463 -5.490 486 2HB GLU 510 HB1 GLU 510 17.025 -8.238 -6.604 487 1HG GLU 510 HG2 GLU 510 15.047 -10.351 -7.229 488 2HG GLU 510 HG1 GLU 510 14.560 -8.671 -7.436 489 H ALA 511 HN ALA 511 14.886 -9.719 -4.319 490 HA ALA 511 HA ALA 511 13.172 -10.950 -3.487 491 1HB ALA 511 HB1 ALA 511 14.046 -13.194 -5.289 492 2HB ALA 511 HB2 ALA 511 13.171 -11.781 -5.879 493 3HB ALA 511 HB3 ALA 511 12.427 -12.844 -4.685 494 H ASP 512 HN ASP 512 13.126 -13.859 -3.138 495 HA ASP 512 HA ASP 512 13.833 -15.502 -1.729 496 1HB ASP 512 HB2 ASP 512 16.163 -14.690 -2.684 497 2HB ASP 512 HB1 ASP 512 16.362 -14.061 -1.051 498 HA PRO 513 HA PRO 513 12.029 -12.996 1.670 499 1HB PRO 513 HB2 PRO 513 11.490 -15.805 2.519 500 2HB PRO 513 HB1 PRO 513 10.418 -14.400 2.530 501 1HG PRO 513 HG2 PRO 513 10.175 -16.288 0.666 502 2HG PRO 513 HG1 PRO 513 9.948 -14.575 0.269 503 1HD PRO 513 HD2 PRO 513 12.243 -16.375 -0.337 504 2HD PRO 513 HD1 PRO 513 11.591 -15.016 -1.277 505 H GLY 514 HN GLY 514 13.559 -16.158 2.354 506 1HA GLY 514 HA2 GLY 514 14.499 -15.515 4.896 507 2HA GLY 514 HA1 GLY 514 15.194 -16.747 3.854 508 H ALA 515 HN ALA 515 15.909 -14.856 1.752 509 HA ALA 515 HA ALA 515 18.437 -14.008 2.848 510 1HB ALA 515 HB1 ALA 515 17.706 -13.188 0.111 511 2HB ALA 515 HB2 ALA 515 17.719 -14.925 0.418 512 3HB ALA 515 HB3 ALA 515 19.170 -13.967 0.712 513 H LEU 516 HN LEU 516 15.507 -12.515 1.621 514 HA LEU 516 HA LEU 516 16.494 -9.844 1.787 515 1HB LEU 516 HB2 LEU 516 14.423 -11.057 0.503 516 2HB LEU 516 HB1 LEU 516 13.591 -10.212 1.796 517 HG LEU 516 HG LEU 516 15.540 -8.491 0.532 518 1HD1 LEU 516 HD11 LEU 516 13.314 -9.267 -1.304 519 2HD1 LEU 516 HD12 LEU 516 14.852 -10.133 -1.343 520 3HD1 LEU 516 HD13 LEU 516 14.807 -8.396 -1.656 521 1HD2 LEU 516 HD21 LEU 516 12.661 -7.962 0.268 522 2HD2 LEU 516 HD22 LEU 516 13.956 -6.943 0.893 523 3HD2 LEU 516 HD23 LEU 516 13.251 -8.198 1.913 524 H ILE 517 HN ILE 517 14.003 -11.587 3.699 525 HA ILE 517 HA ILE 517 13.520 -9.536 5.513 526 HB ILE 517 HB ILE 517 13.512 -12.427 6.352 527 1HG1 ILE 517 HG12 ILE 517 12.161 -12.768 4.540 528 2HG1 ILE 517 HG11 ILE 517 10.955 -12.070 5.606 529 1HG2 ILE 517 HG21 ILE 517 11.341 -10.644 7.163 530 2HG2 ILE 517 HG22 ILE 517 12.937 -10.141 7.723 531 3HG2 ILE 517 HG23 ILE 517 12.328 -11.748 8.122 532 1HD1 ILE 517 HD11 ILE 517 11.661 -9.828 4.516 533 2HD1 ILE 517 HD12 ILE 517 10.600 -10.936 3.647 534 3HD1 ILE 517 HD13 ILE 517 12.313 -10.862 3.245 535 H SER 518 HN SER 518 16.137 -11.804 5.317 536 HA SER 518 HA SER 518 17.214 -10.887 7.882 537 1HB SER 518 HB2 SER 518 17.106 -13.405 6.875 538 2HB SER 518 HB1 SER 518 18.704 -12.911 6.316 539 HG SER 518 HG SER 518 18.076 -13.767 8.697 540 H ARG 519 HN ARG 519 17.195 -8.913 6.028 541 HA ARG 519 HA ARG 519 20.053 -8.646 5.403 542 1HB ARG 519 HB2 ARG 519 18.324 -9.143 3.414 543 2HB ARG 519 HB1 ARG 519 18.125 -7.403 3.518 544 1HG ARG 519 HG2 ARG 519 19.809 -7.460 2.013 545 2HG ARG 519 HG1 ARG 519 20.779 -7.486 3.488 546 1HD ARG 519 HD2 ARG 519 19.849 -10.055 2.282 547 2HD ARG 519 HD1 ARG 519 21.230 -9.215 1.579 548 HE ARG 519 HE ARG 519 21.140 -10.619 4.091 549 1HH1 ARG 519 HH11 ARG 519 22.787 -8.169 2.230 550 2HH1 ARG 519 HH12 ARG 519 24.270 -8.319 3.110 551 1HH2 ARG 519 HH21 ARG 519 23.092 -10.820 5.249 552 2HH2 ARG 519 HH22 ARG 519 24.444 -9.824 4.824 553 H ILE 520 HN ILE 520 16.923 -7.070 5.858 554 HA ILE 520 HA ILE 520 17.640 -4.413 6.018 555 HB ILE 520 HB ILE 520 15.911 -4.451 8.037 556 1HG1 ILE 520 HG12 ILE 520 16.084 -7.184 7.459 557 2HG1 ILE 520 HG11 ILE 520 14.936 -6.393 8.520 558 1HG2 ILE 520 HG21 ILE 520 15.626 -3.456 5.743 559 2HG2 ILE 520 HG22 ILE 520 14.141 -3.984 6.545 560 3HG2 ILE 520 HG23 ILE 520 14.869 -4.976 5.278 561 1HD1 ILE 520 HD11 ILE 520 13.381 -6.148 6.661 562 2HD1 ILE 520 HD12 ILE 520 13.813 -7.835 6.939 563 3HD1 ILE 520 HD13 ILE 520 14.533 -6.951 5.592 564 HA PRO 521 HA PRO 521 20.739 -3.730 9.102 565 1HB PRO 521 HB2 PRO 521 18.922 -1.946 10.551 566 2HB PRO 521 HB1 PRO 521 20.439 -1.586 9.738 567 1HG PRO 521 HG2 PRO 521 17.724 -1.263 8.757 568 2HG PRO 521 HG1 PRO 521 19.239 -0.676 8.055 569 1HD PRO 521 HD2 PRO 521 17.708 -2.632 6.918 570 2HD PRO 521 HD1 PRO 521 19.469 -2.527 6.709 571 H GLY 522 HN GLY 522 17.904 -3.229 11.215 572 1HA GLY 522 HA2 GLY 522 18.464 -5.818 12.475 573 2HA GLY 522 HA1 GLY 522 18.566 -4.367 13.451 574 H GLU 523 HN GLU 523 16.612 -3.149 13.828 575 HA GLU 523 HA GLU 523 14.502 -4.570 14.778 576 1HB GLU 523 HB2 GLU 523 14.649 -1.750 13.763 577 2HB GLU 523 HB1 GLU 523 13.163 -2.395 14.448 578 1HG GLU 523 HG2 GLU 523 14.943 -3.088 16.361 579 2HG GLU 523 HG1 GLU 523 15.665 -1.599 15.759 580 H LEU 524 HN LEU 524 14.972 -3.685 11.451 581 HA LEU 524 HA LEU 524 12.280 -4.097 10.637 582 1HB LEU 524 HB2 LEU 524 14.243 -4.609 8.563 583 2HB LEU 524 HB1 LEU 524 12.937 -3.475 8.597 584 HG LEU 524 HG LEU 524 14.435 -1.968 9.993 585 1HD1 LEU 524 HD11 LEU 524 16.868 -3.058 8.960 586 2HD1 LEU 524 HD12 LEU 524 16.056 -4.261 9.957 587 3HD1 LEU 524 HD13 LEU 524 16.437 -2.666 10.620 588 1HD2 LEU 524 HD21 LEU 524 15.878 -2.268 7.456 589 2HD2 LEU 524 HD22 LEU 524 14.997 -0.886 8.102 590 3HD2 LEU 524 HD23 LEU 524 14.130 -2.177 7.280 591 H GLN 525 HN GLN 525 15.042 -6.149 11.131 592 HA GLN 525 HA GLN 525 14.398 -8.331 9.583 593 1HB GLN 525 HB2 GLN 525 15.647 -8.221 12.328 594 2HB GLN 525 HB1 GLN 525 15.529 -9.701 11.389 595 1HG GLN 525 HG2 GLN 525 16.660 -7.612 9.790 596 2HG GLN 525 HG1 GLN 525 17.541 -7.756 11.310 597 1HE2 GLN 525 HE21 GLN 525 18.494 -8.365 8.683 598 2HE2 GLN 525 HE22 GLN 525 18.907 -10.042 8.668 599 HA PRO 526 HA PRO 526 11.548 -10.060 13.101 600 1HB PRO 526 HB2 PRO 526 10.825 -8.298 15.054 601 2HB PRO 526 HB1 PRO 526 12.200 -9.399 15.199 602 1HG PRO 526 HG2 PRO 526 12.163 -6.505 14.440 603 2HG PRO 526 HG1 PRO 526 13.272 -7.363 15.524 604 1HD PRO 526 HD2 PRO 526 13.952 -6.751 12.995 605 2HD PRO 526 HD1 PRO 526 14.501 -8.245 13.778 606 H LEU 527 HN LEU 527 11.259 -6.586 12.353 607 HA LEU 527 HA LEU 527 8.442 -6.487 12.397 608 1HB LEU 527 HB2 LEU 527 10.625 -4.782 11.426 609 2HB LEU 527 HB1 LEU 527 9.111 -4.577 10.568 610 HG LEU 527 HG LEU 527 9.440 -4.326 13.558 611 1HD1 LEU 527 HD11 LEU 527 9.121 -1.921 13.165 612 2HD1 LEU 527 HD12 LEU 527 9.179 -2.210 11.427 613 3HD1 LEU 527 HD13 LEU 527 10.600 -2.529 12.422 614 1HD2 LEU 527 HD21 LEU 527 7.159 -3.138 13.166 615 2HD2 LEU 527 HD22 LEU 527 7.224 -4.898 13.265 616 3HD2 LEU 527 HD23 LEU 527 7.117 -4.107 11.693 617 H ALA 528 HN ALA 528 10.619 -6.720 9.578 618 HA ALA 528 HA ALA 528 8.600 -7.103 7.677 619 1HB ALA 528 HB1 ALA 528 11.524 -7.390 7.772 620 2HB ALA 528 HB2 ALA 528 10.495 -6.614 6.567 621 3HB ALA 528 HB3 ALA 528 10.710 -8.365 6.549 622 H SER 529 HN SER 529 10.319 -9.365 9.754 623 HA SER 529 HA SER 529 9.660 -11.770 8.527 624 1HB SER 529 HB2 SER 529 11.208 -11.612 10.433 625 2HB SER 529 HB1 SER 529 9.863 -11.198 11.496 626 HG SER 529 HG SER 529 10.710 -13.559 11.106 627 H GLU 530 HN GLU 530 7.833 -9.909 10.940 628 HA GLU 530 HA GLU 530 5.609 -11.705 10.959 629 1HB GLU 530 HB2 GLU 530 5.947 -8.868 11.937 630 2HB GLU 530 HB1 GLU 530 4.454 -9.778 12.129 631 1HG GLU 530 HG2 GLU 530 6.940 -11.060 13.087 632 2HG GLU 530 HG1 GLU 530 6.345 -9.673 13.999 633 H LEU 531 HN LEU 531 6.551 -8.919 9.119 634 HA LEU 531 HA LEU 531 3.989 -8.401 7.951 635 1HB LEU 531 HB2 LEU 531 6.422 -7.077 8.131 636 2HB LEU 531 HB1 LEU 531 6.280 -7.462 6.428 637 HG LEU 531 HG LEU 531 4.002 -6.356 6.466 638 1HD1 LEU 531 HD11 LEU 531 4.890 -5.913 9.270 639 2HD1 LEU 531 HD12 LEU 531 3.271 -6.171 8.624 640 3HD1 LEU 531 HD13 LEU 531 4.044 -4.596 8.458 641 1HD2 LEU 531 HD21 LEU 531 6.630 -5.018 6.841 642 2HD2 LEU 531 HD22 LEU 531 5.179 -4.015 6.829 643 3HD2 LEU 531 HD23 LEU 531 5.556 -5.037 5.442 644 H SER 532 HN SER 532 6.464 -10.675 7.356 645 HA SER 532 HA SER 532 6.570 -11.015 4.667 646 1HB SER 532 HB2 SER 532 7.501 -12.433 6.754 647 2HB SER 532 HB1 SER 532 6.233 -13.528 6.204 648 HG SER 532 HG SER 532 7.212 -13.315 4.074 649 H LEU 533 HN LEU 533 3.804 -11.689 6.693 650 HA LEU 533 HA LEU 533 2.338 -12.426 4.264 651 1HB LEU 533 HB2 LEU 533 2.734 -14.542 5.260 652 2HB LEU 533 HB1 LEU 533 2.339 -13.948 6.859 653 HG LEU 533 HG LEU 533 0.081 -14.178 6.548 654 1HD1 LEU 533 HD11 LEU 533 -0.707 -12.912 4.862 655 2HD1 LEU 533 HD12 LEU 533 -0.699 -14.428 3.963 656 3HD1 LEU 533 HD13 LEU 533 0.644 -13.300 3.799 657 1HD2 LEU 533 HD21 LEU 533 1.571 -16.214 5.021 658 2HD2 LEU 533 HD22 LEU 533 -0.177 -16.179 4.787 659 3HD2 LEU 533 HD23 LEU 533 0.492 -16.391 6.404 660 H LEU 534 HN LEU 534 2.107 -9.939 4.946 661 HA LEU 534 HA LEU 534 -0.003 -9.568 6.884 662 1HB LEU 534 HB2 LEU 534 1.720 -7.793 5.246 663 2HB LEU 534 HB1 LEU 534 0.181 -7.154 5.782 664 HG LEU 534 HG LEU 534 2.620 -7.245 7.186 665 1HD1 LEU 534 HD11 LEU 534 1.277 -6.084 8.930 666 2HD1 LEU 534 HD12 LEU 534 -0.166 -6.443 7.981 667 3HD1 LEU 534 HD13 LEU 534 1.098 -5.414 7.309 668 1HD2 LEU 534 HD21 LEU 534 0.523 -8.799 8.678 669 2HD2 LEU 534 HD22 LEU 534 2.167 -8.422 9.194 670 3HD2 LEU 534 HD23 LEU 534 1.897 -9.551 7.866 671 H LEU 535 HN LEU 535 0.188 -10.295 3.579 672 HA LEU 535 HA LEU 535 -2.573 -10.463 3.241 673 1HB LEU 535 HB2 LEU 535 -2.645 -8.065 3.315 674 2HB LEU 535 HB1 LEU 535 -1.333 -7.937 2.162 675 HG LEU 535 HG LEU 535 -2.706 -8.607 0.358 676 1HD1 LEU 535 HD11 LEU 535 -4.835 -9.300 2.383 677 2HD1 LEU 535 HD12 LEU 535 -3.857 -10.454 1.477 678 3HD1 LEU 535 HD13 LEU 535 -4.995 -9.408 0.630 679 1HD2 LEU 535 HD21 LEU 535 -3.351 -6.465 0.435 680 2HD2 LEU 535 HD22 LEU 535 -3.667 -6.520 2.169 681 3HD2 LEU 535 HD23 LEU 535 -4.883 -7.102 1.032 682 H ILE 536 HN ILE 536 -0.639 -12.223 2.623 683 HA ILE 536 HA ILE 536 -1.033 -12.560 -0.195 684 HB ILE 536 HB ILE 536 0.900 -11.906 -1.036 685 1HG1 ILE 536 HG12 ILE 536 1.823 -14.148 0.010 686 2HG1 ILE 536 HG11 ILE 536 2.917 -12.965 -0.684 687 1HG2 ILE 536 HG21 ILE 536 2.445 -10.559 0.417 688 2HG2 ILE 536 HG22 ILE 536 1.365 -10.948 1.758 689 3HG2 ILE 536 HG23 ILE 536 0.756 -10.047 0.366 690 1HD1 ILE 536 HD11 ILE 536 3.189 -14.092 1.765 691 2HD1 ILE 536 HD12 ILE 536 2.395 -12.569 2.163 692 3HD1 ILE 536 HD13 ILE 536 3.916 -12.563 1.265 693 H ALA 537 HN ALA 537 -1.099 -14.632 -0.756 694 HA ALA 537 HA ALA 537 0.060 -16.622 1.065 695 1HB ALA 537 HB1 ALA 537 -2.570 -17.314 0.000 696 2HB ALA 537 HB2 ALA 537 -2.571 -15.956 1.131 697 3HB ALA 537 HB3 ALA 537 -1.912 -17.518 1.628 698 H ASP 538 HN ASP 538 1.554 -17.445 -0.333 699 HA ASP 538 HA ASP 538 2.394 -18.682 -2.042 700 1HB ASP 538 HB2 ASP 538 -0.079 -19.791 -1.508 701 2HB ASP 538 HB1 ASP 538 -0.131 -19.517 -3.246 702 H ASP 539 HN ASP 539 -0.643 -17.303 -3.276 703 HA ASP 539 HA ASP 539 0.858 -16.290 -5.598 704 1HB ASP 539 HB2 ASP 539 -1.684 -17.628 -5.327 705 2HB ASP 539 HB1 ASP 539 -1.896 -16.068 -6.115 706 H VAL 540 HN VAL 540 -0.010 -15.154 -2.734 707 HA VAL 540 HA VAL 540 -0.445 -13.120 -1.854 708 HB VAL 540 HB VAL 540 0.334 -12.157 -4.600 709 1HG1 VAL 540 HG11 VAL 540 0.975 -10.058 -3.252 710 2HG1 VAL 540 HG12 VAL 540 -0.098 -10.691 -2.009 711 3HG1 VAL 540 HG13 VAL 540 -0.731 -10.317 -3.608 712 1HG2 VAL 540 HG21 VAL 540 1.870 -13.501 -2.737 713 2HG2 VAL 540 HG22 VAL 540 2.270 -11.806 -2.471 714 3HG2 VAL 540 HG23 VAL 540 2.465 -12.517 -4.072 715 H SER 541 HN SER 541 -1.897 -11.348 -1.835 716 HA SER 541 HA SER 541 -4.431 -11.928 -3.087 717 1HB SER 541 HB2 SER 541 -3.986 -11.116 -0.622 718 2HB SER 541 HB1 SER 541 -3.890 -9.518 -1.365 719 HG SER 541 HG SER 541 -6.079 -11.286 -1.236 720 H GLU 542 HN GLU 542 -3.514 -11.598 -5.178 721 HA GLU 542 HA GLU 542 -2.271 -9.414 -6.190 722 1HB GLU 542 HB2 GLU 542 -2.688 -10.317 -8.245 723 2HB GLU 542 HB1 GLU 542 -2.994 -11.691 -7.188 724 1HG GLU 542 HG2 GLU 542 -5.420 -11.152 -7.294 725 2HG GLU 542 HG1 GLU 542 -5.047 -9.908 -8.487 726 H GLN 543 HN GLN 543 -5.835 -9.767 -5.941 727 HA GLN 543 HA GLN 543 -6.510 -7.381 -7.221 728 1HB GLN 543 HB2 GLN 543 -7.855 -8.582 -4.784 729 2HB GLN 543 HB1 GLN 543 -8.572 -7.411 -5.883 730 1HG GLN 543 HG2 GLN 543 -9.464 -9.212 -6.855 731 2HG GLN 543 HG1 GLN 543 -7.881 -9.371 -7.612 732 1HE2 GLN 543 HE21 GLN 543 -7.569 -11.495 -7.731 733 2HE2 GLN 543 HE22 GLN 543 -7.650 -12.593 -6.400 734 H GLU 544 HN GLU 544 -5.662 -8.048 -3.881 735 HA GLU 544 HA GLU 544 -5.798 -5.374 -2.957 736 1HB GLU 544 HB2 GLU 544 -4.204 -7.656 -1.788 737 2HB GLU 544 HB1 GLU 544 -4.726 -6.197 -0.957 738 1HG GLU 544 HG2 GLU 544 -6.753 -8.013 -2.175 739 2HG GLU 544 HG1 GLU 544 -6.021 -8.419 -0.625 740 H LEU 545 HN LEU 545 -3.282 -7.358 -4.403 741 HA LEU 545 HA LEU 545 -1.030 -5.905 -3.756 742 1HB LEU 545 HB2 LEU 545 -0.708 -7.960 -4.836 743 2HB LEU 545 HB1 LEU 545 -1.757 -7.517 -6.164 744 HG LEU 545 HG LEU 545 -0.092 -6.038 -7.076 745 1HD1 LEU 545 HD11 LEU 545 2.019 -5.618 -6.070 746 2HD1 LEU 545 HD12 LEU 545 1.712 -6.786 -4.789 747 3HD1 LEU 545 HD13 LEU 545 0.786 -5.287 -4.853 748 1HD2 LEU 545 HD21 LEU 545 0.355 -8.079 -7.977 749 2HD2 LEU 545 HD22 LEU 545 0.638 -8.834 -6.407 750 3HD2 LEU 545 HD23 LEU 545 1.879 -7.810 -7.131 751 H GLU 546 HN GLU 546 -3.129 -5.459 -6.567 752 HA GLU 546 HA GLU 546 -1.763 -3.098 -7.417 753 1HB GLU 546 HB2 GLU 546 -3.307 -4.766 -8.752 754 2HB GLU 546 HB1 GLU 546 -4.586 -3.686 -8.212 755 1HG GLU 546 HG2 GLU 546 -4.129 -2.354 -9.911 756 2HG GLU 546 HG1 GLU 546 -2.543 -2.041 -9.207 757 H ASP 547 HN ASP 547 -4.289 -3.833 -5.161 758 HA ASP 547 HA ASP 547 -5.502 -1.250 -5.133 759 1HB ASP 547 HB2 ASP 547 -5.584 -3.543 -3.183 760 2HB ASP 547 HB1 ASP 547 -6.507 -2.060 -2.967 761 H TYR 548 HN TYR 548 -3.258 -2.848 -2.858 762 HA TYR 548 HA TYR 548 -3.051 -0.492 -1.296 763 1HB TYR 548 HB2 TYR 548 -1.209 -1.678 -0.129 764 2HB TYR 548 HB1 TYR 548 -2.718 -2.571 -0.200 765 HD1 TYR 548 HD1 TYR 548 -2.516 -4.826 -0.549 766 HD2 TYR 548 HD2 TYR 548 0.375 -2.229 -2.272 767 HE1 TYR 548 HE1 TYR 548 -1.318 -6.755 -1.424 768 HE2 TYR 548 HE2 TYR 548 1.579 -4.165 -3.154 769 HH TYR 548 HH TYR 548 0.276 -7.310 -3.169 770 H ILE 549 HN ILE 549 -1.303 -1.674 -4.096 771 HA ILE 549 HA ILE 549 0.996 -0.042 -3.774 772 HB ILE 549 HB ILE 549 -0.305 -1.043 -6.317 773 1HG1 ILE 549 HG12 ILE 549 2.310 -1.884 -5.090 774 2HG1 ILE 549 HG11 ILE 549 0.796 -2.671 -4.666 775 1HG2 ILE 549 HG21 ILE 549 1.996 0.772 -5.853 776 2HG2 ILE 549 HG22 ILE 549 0.867 0.693 -7.209 777 3HG2 ILE 549 HG23 ILE 549 2.187 -0.470 -7.093 778 1HD1 ILE 549 HD11 ILE 549 2.230 -3.760 -6.446 779 2HD1 ILE 549 HD12 ILE 549 1.743 -2.434 -7.498 780 3HD1 ILE 549 HD13 ILE 549 0.525 -3.524 -6.832 781 H ARG 550 HN ARG 550 -1.988 0.470 -5.688 782 HA ARG 550 HA ARG 550 -1.449 3.091 -6.461 783 1HB ARG 550 HB2 ARG 550 -3.934 3.348 -6.664 784 2HB ARG 550 HB1 ARG 550 -3.278 1.938 -7.485 785 1HG ARG 550 HG2 ARG 550 -3.981 0.542 -5.581 786 2HG ARG 550 HG1 ARG 550 -4.706 1.965 -4.836 787 1HD ARG 550 HD2 ARG 550 -6.557 1.248 -5.905 788 2HD ARG 550 HD1 ARG 550 -5.832 2.091 -7.272 789 HE ARG 550 HE ARG 550 -5.133 -0.711 -6.964 790 1HH1 ARG 550 HH11 ARG 550 -7.144 1.658 -8.560 791 2HH1 ARG 550 HH12 ARG 550 -7.550 0.606 -9.873 792 1HH2 ARG 550 HH21 ARG 550 -5.672 -2.090 -8.689 793 2HH2 ARG 550 HH22 ARG 550 -6.716 -1.518 -9.947 794 H HIS 551 HN HIS 551 -2.690 1.806 -3.454 795 HA HIS 551 HA HIS 551 -3.655 4.137 -2.264 796 1HB HIS 551 HB2 HIS 551 -2.851 1.480 -1.389 797 2HB HIS 551 HB1 HIS 551 -2.477 2.709 -0.186 798 HD1 HIS 551 HD1 HIS 551 -5.048 4.485 -0.898 799 HD2 HIS 551 HD2 HIS 551 -4.996 0.435 0.032 800 HE1 HIS 551 HE1 HIS 551 -7.355 3.960 -0.048 801 HE2 HIS 551 HE2 HIS 551 -7.323 1.489 0.438 802 H VAL 552 HN VAL 552 -0.376 2.808 -2.362 803 HA VAL 552 HA VAL 552 0.797 4.815 -0.736 804 HB VAL 552 HB VAL 552 2.125 3.085 -2.828 805 1HG1 VAL 552 HG11 VAL 552 4.180 3.518 -1.687 806 2HG1 VAL 552 HG12 VAL 552 3.346 4.389 -0.400 807 3HG1 VAL 552 HG13 VAL 552 3.419 5.072 -2.025 808 1HG2 VAL 552 HG21 VAL 552 2.345 2.399 0.029 809 2HG2 VAL 552 HG22 VAL 552 2.186 1.354 -1.383 810 3HG2 VAL 552 HG23 VAL 552 0.762 2.141 -0.703 811 H LEU 553 HN LEU 553 0.069 4.555 -4.140 812 HA LEU 553 HA LEU 553 1.685 6.789 -4.942 813 1HB LEU 553 HB2 LEU 553 1.370 5.353 -6.703 814 2HB LEU 553 HB1 LEU 553 -0.268 4.954 -6.229 815 HG LEU 553 HG LEU 553 0.040 7.724 -7.130 816 1HD1 LEU 553 HD11 LEU 553 1.031 5.492 -8.785 817 2HD1 LEU 553 HD12 LEU 553 1.454 7.203 -8.812 818 3HD1 LEU 553 HD13 LEU 553 -0.036 6.650 -9.578 819 1HD2 LEU 553 HD21 LEU 553 -2.043 7.354 -8.098 820 2HD2 LEU 553 HD22 LEU 553 -2.074 6.300 -6.686 821 3HD2 LEU 553 HD23 LEU 553 -1.757 5.624 -8.281 822 H ASN 554 HN ASN 554 -1.821 6.259 -4.730 823 HA ASN 554 HA ASN 554 -3.505 7.882 -5.009 824 1HB ASN 554 HB2 ASN 554 -3.894 8.818 -2.763 825 2HB ASN 554 HB1 ASN 554 -3.454 7.113 -2.708 826 1HD2 ASN 554 HD21 ASN 554 -2.977 9.980 -1.252 827 2HD2 ASN 554 HD22 ASN 554 -1.417 9.716 -0.559 828 H ARG 555 HN ARG 555 -2.895 9.361 -6.643 829 HA ARG 555 HA ARG 555 -2.865 12.021 -5.944 830 1HB ARG 555 HB2 ARG 555 -0.247 10.860 -5.695 831 2HB ARG 555 HB1 ARG 555 -0.238 12.083 -6.958 832 1HG ARG 555 HG2 ARG 555 -1.219 13.691 -5.368 833 2HG ARG 555 HG1 ARG 555 -1.116 12.464 -4.105 834 1HD ARG 555 HD2 ARG 555 0.782 13.906 -3.900 835 2HD ARG 555 HD1 ARG 555 1.338 12.348 -4.510 836 HE ARG 555 HE ARG 555 0.867 13.914 -6.732 837 1HH1 ARG 555 HH11 ARG 555 2.934 14.049 -3.922 838 2HH1 ARG 555 HH12 ARG 555 4.187 14.928 -4.732 839 1HH2 ARG 555 HH21 ARG 555 2.515 15.069 -7.798 840 2HH2 ARG 555 HH22 ARG 555 3.949 15.507 -6.931 841 HA PRO 556 HA PRO 556 -1.977 11.919 -10.564 842 1HB PRO 556 HB2 PRO 556 -0.334 10.158 -11.700 843 2HB PRO 556 HB1 PRO 556 0.294 11.485 -10.716 844 1HG PRO 556 HG2 PRO 556 -0.014 8.601 -10.034 845 2HG PRO 556 HG1 PRO 556 1.262 9.737 -9.565 846 1HD PRO 556 HD2 PRO 556 -0.944 8.981 -8.000 847 2HD PRO 556 HD1 PRO 556 0.138 10.349 -7.698 848 H LYS 557 HN LYS 557 -1.963 8.435 -9.750 849 HA LYS 557 HA LYS 557 -3.588 7.753 -11.998 850 1HB LYS 557 HB2 LYS 557 -2.026 6.367 -10.072 851 2HB LYS 557 HB1 LYS 557 -3.648 5.691 -10.028 852 1HG LYS 557 HG2 LYS 557 -3.039 5.948 -12.736 853 2HG LYS 557 HG1 LYS 557 -1.563 5.347 -11.981 854 1HD LYS 557 HD2 LYS 557 -3.505 3.825 -10.784 855 2HD LYS 557 HD1 LYS 557 -4.126 4.013 -12.425 856 1HE LYS 557 HE2 LYS 557 -1.392 2.995 -11.662 857 2HE LYS 557 HE1 LYS 557 -2.740 2.016 -12.235 858 1HZ LYS 557 HZ1 LYS 557 -2.417 2.654 -14.355 859 2HZ LYS 557 HZ2 LYS 557 -0.841 2.965 -13.826 860 3HZ LYS 557 HZ3 LYS 557 -1.956 4.230 -13.946 861 H TRP 558 HN TRP 558 -5.686 7.866 -12.183 862 HA TRP 558 HA TRP 558 -7.340 8.629 -9.973 863 1HB TRP 558 HB2 TRP 558 -9.196 8.489 -11.702 864 2HB TRP 558 HB1 TRP 558 -7.913 9.650 -12.016 865 HD1 TRP 558 HD1 TRP 558 -6.319 9.203 -14.084 866 HE1 TRP 558 HE1 TRP 558 -6.559 7.686 -16.138 867 HE3 TRP 558 HE3 TRP 558 -10.121 6.216 -12.440 868 HZ2 TRP 558 HZ2 TRP 558 -8.154 5.496 -16.965 869 HZ3 TRP 558 HZ3 TRP 558 -10.950 4.435 -13.918 870 HH2 TRP 558 HH2 TRP 558 -9.985 4.083 -16.136 871 H LEU 559 HN LEU 559 -6.593 5.668 -11.633 872 HA LEU 559 HA LEU 559 -8.797 4.107 -11.058 873 1HB LEU 559 HB2 LEU 559 -6.012 3.656 -11.705 874 2HB LEU 559 HB1 LEU 559 -6.585 2.452 -10.567 875 HG LEU 559 HG LEU 559 -6.882 1.557 -12.748 876 1HD1 LEU 559 HD11 LEU 559 -8.895 1.708 -10.964 877 2HD1 LEU 559 HD12 LEU 559 -8.988 0.807 -12.478 878 3HD1 LEU 559 HD13 LEU 559 -9.669 2.431 -12.374 879 1HD2 LEU 559 HD21 LEU 559 -7.771 4.298 -13.376 880 2HD2 LEU 559 HD22 LEU 559 -8.615 2.994 -14.210 881 3HD2 LEU 559 HD23 LEU 559 -6.865 3.144 -14.353 882 H MET 560 HN MET 560 -6.456 5.454 -8.895 883 HA MET 560 HA MET 560 -6.770 3.726 -6.692 884 1HB MET 560 HB2 MET 560 -4.965 5.319 -6.690 885 2HB MET 560 HB1 MET 560 -6.081 6.664 -6.873 886 1HG MET 560 HG2 MET 560 -5.327 6.644 -4.625 887 2HG MET 560 HG1 MET 560 -7.009 6.113 -4.631 888 1HE MET 560 HE1 MET 560 -7.451 2.971 -4.300 889 2HE MET 560 HE2 MET 560 -7.845 4.511 -3.540 890 3HE MET 560 HE3 MET 560 -7.063 3.240 -2.601 891 H LEU 561 HN LEU 561 -8.536 6.489 -7.890 892 HA LEU 561 HA LEU 561 -10.358 6.723 -5.721 893 1HB LEU 561 HB2 LEU 561 -10.072 8.628 -7.109 894 2HB LEU 561 HB1 LEU 561 -10.376 7.710 -8.564 895 HG LEU 561 HG LEU 561 -12.198 9.321 -7.770 896 1HD1 LEU 561 HD11 LEU 561 -13.745 8.118 -8.915 897 2HD1 LEU 561 HD12 LEU 561 -13.362 6.613 -8.080 898 3HD1 LEU 561 HD13 LEU 561 -12.300 7.208 -9.356 899 1HD2 LEU 561 HD21 LEU 561 -13.796 7.825 -6.217 900 2HD2 LEU 561 HD22 LEU 561 -12.696 9.043 -5.577 901 3HD2 LEU 561 HD23 LEU 561 -12.231 7.342 -5.572 902 H LYS 562 HN LYS 562 -10.260 4.919 -8.728 903 HA LYS 562 HA LYS 562 -12.936 4.069 -8.811 904 1HB LYS 562 HB2 LYS 562 -11.399 3.719 -10.685 905 2HB LYS 562 HB1 LYS 562 -10.440 2.610 -9.714 906 1HG LYS 562 HG2 LYS 562 -13.336 2.061 -10.201 907 2HG LYS 562 HG1 LYS 562 -12.131 1.672 -11.429 908 1HD LYS 562 HD2 LYS 562 -11.199 0.740 -8.897 909 2HD LYS 562 HD1 LYS 562 -12.853 0.173 -9.138 910 1HE LYS 562 HE2 LYS 562 -12.303 -1.033 -11.034 911 2HE LYS 562 HE1 LYS 562 -10.857 -0.073 -11.348 912 1HZ LYS 562 HZ1 LYS 562 -9.646 -1.223 -9.785 913 2HZ LYS 562 HZ2 LYS 562 -10.628 -2.452 -10.408 914 3HZ LYS 562 HZ3 LYS 562 -11.010 -1.736 -8.924 915 H VAL 563 HN VAL 563 -10.104 2.795 -7.156 916 HA VAL 563 HA VAL 563 -11.319 0.482 -6.067 917 HB VAL 563 HB VAL 563 -8.869 2.090 -5.396 918 1HG1 VAL 563 HG11 VAL 563 -10.191 0.039 -3.682 919 2HG1 VAL 563 HG12 VAL 563 -9.277 1.476 -3.223 920 3HG1 VAL 563 HG13 VAL 563 -8.431 0.038 -3.791 921 1HG2 VAL 563 HG21 VAL 563 -9.444 -0.633 -6.514 922 2HG2 VAL 563 HG22 VAL 563 -7.862 -0.236 -5.843 923 3HG2 VAL 563 HG23 VAL 563 -8.495 0.681 -7.211 924 H LYS 564 HN LYS 564 -10.628 3.695 -4.705 925 HA LYS 564 HA LYS 564 -11.882 3.317 -2.228 926 1HB LYS 564 HB2 LYS 564 -11.559 5.864 -3.833 927 2HB LYS 564 HB1 LYS 564 -12.004 5.791 -2.133 928 1HG LYS 564 HG2 LYS 564 -9.665 4.295 -2.318 929 2HG LYS 564 HG1 LYS 564 -9.400 5.692 -3.363 930 1HD LYS 564 HD2 LYS 564 -10.071 7.174 -1.511 931 2HD LYS 564 HD1 LYS 564 -10.256 5.761 -0.471 932 1HE LYS 564 HE2 LYS 564 -7.747 5.373 -1.405 933 2HE LYS 564 HE1 LYS 564 -7.820 7.134 -1.394 934 1HZ LYS 564 HZ1 LYS 564 -8.414 7.087 0.926 935 2HZ LYS 564 HZ2 LYS 564 -6.984 6.213 0.699 936 3HZ LYS 564 HZ3 LYS 564 -8.446 5.396 0.931 937 H GLU 565 HN GLU 565 -13.105 4.064 -5.395 938 HA GLU 565 HA GLU 565 -15.663 5.010 -4.719 939 1HB GLU 565 HB2 GLU 565 -14.251 4.326 -7.085 940 2HB GLU 565 HB1 GLU 565 -15.774 3.439 -7.109 941 1HG GLU 565 HG2 GLU 565 -16.546 5.959 -6.334 942 2HG GLU 565 HG1 GLU 565 -15.247 6.281 -7.482 943 H GLN 566 HN GLN 566 -14.393 1.765 -5.254 944 HA GLN 566 HA GLN 566 -16.904 0.482 -5.130 945 1HB GLN 566 HB2 GLN 566 -14.359 -0.292 -5.800 946 2HB GLN 566 HB1 GLN 566 -14.593 -1.121 -4.268 947 1HG GLN 566 HG2 GLN 566 -16.709 -1.289 -6.357 948 2HG GLN 566 HG1 GLN 566 -15.248 -2.265 -6.514 949 1HE2 GLN 566 HE21 GLN 566 -14.671 -3.116 -4.094 950 2HE2 GLN 566 HE22 GLN 566 -15.964 -4.029 -3.402 951 H GLU 567 HN GLU 567 -14.444 1.209 -2.678 952 HA GLU 567 HA GLU 567 -15.795 -0.192 -0.580 953 1HB GLU 567 HB2 GLU 567 -13.633 1.931 -0.456 954 2HB GLU 567 HB1 GLU 567 -14.173 0.946 0.896 955 1HG GLU 567 HG2 GLU 567 -12.789 -0.026 -1.593 956 2HG GLU 567 HG1 GLU 567 -12.096 0.096 0.023 957 H LYS 568 HN LYS 568 -15.655 2.945 -1.993 958 HA LYS 568 HA LYS 568 -17.081 4.309 0.011 959 1HB LYS 568 HB2 LYS 568 -16.231 4.910 -2.779 960 2HB LYS 568 HB1 LYS 568 -17.459 5.923 -2.045 961 1HG LYS 568 HG2 LYS 568 -14.885 6.508 -1.909 962 2HG LYS 568 HG1 LYS 568 -16.000 6.900 -0.609 963 1HD LYS 568 HD2 LYS 568 -14.799 4.229 -0.408 964 2HD LYS 568 HD1 LYS 568 -13.648 5.554 -0.315 965 1HE LYS 568 HE2 LYS 568 -15.482 6.518 1.346 966 2HE LYS 568 HE1 LYS 568 -15.841 4.803 1.534 967 1HZ LYS 568 HZ1 LYS 568 -14.219 4.875 3.051 968 2HZ LYS 568 HZ2 LYS 568 -13.566 6.317 2.456 969 3HZ LYS 568 HZ3 LYS 568 -13.161 4.845 1.730 970 H THR 569 HN THR 569 -17.884 2.550 -2.855 971 HA THR 569 HA THR 569 -20.587 3.340 -3.090 972 HB THR 569 HB THR 569 -18.984 0.991 -4.062 973 HG1 THR 569 HG1 THR 569 -19.138 2.058 -6.020 974 1HG2 THR 569 HG21 THR 569 -21.760 1.595 -5.018 975 2HG2 THR 569 HG22 THR 569 -21.390 0.331 -3.844 976 3HG2 THR 569 HG23 THR 569 -20.712 0.249 -5.471 977 H GLU 570 HN GLU 570 -19.053 0.391 -1.800 978 HA GLU 570 HA GLU 570 -21.329 -0.877 -0.833 979 1HB GLU 570 HB2 GLU 570 -18.431 -0.955 -0.091 980 2HB GLU 570 HB1 GLU 570 -19.593 -1.770 0.948 981 1HG GLU 570 HG2 GLU 570 -20.361 -2.717 -1.450 982 2HG GLU 570 HG1 GLU 570 -18.641 -2.467 -1.748 983 H ALA 571 HN ALA 571 -19.105 1.319 0.868 984 HA ALA 571 HA ALA 571 -20.622 1.410 3.255 985 1HB ALA 571 HB1 ALA 571 -18.221 2.676 2.259 986 2HB ALA 571 HB2 ALA 571 -18.706 2.330 3.915 987 3HB ALA 571 HB3 ALA 571 -19.235 3.824 3.143 988 H GLU 572 HN GLU 572 -20.814 3.106 0.200 989 HA GLU 572 HA GLU 572 -22.261 5.357 0.965 990 1HB GLU 572 HB2 GLU 572 -21.586 4.089 -1.463 991 2HB GLU 572 HB1 GLU 572 -23.330 4.302 -1.496 992 1HG GLU 572 HG2 GLU 572 -21.712 6.621 -0.637 993 2HG GLU 572 HG1 GLU 572 -21.629 6.162 -2.338 994 H ARG 573 HN ARG 573 -23.468 2.123 0.124 995 HA ARG 573 HA ARG 573 -26.199 2.813 0.646 996 1HB ARG 573 HB2 ARG 573 -26.628 0.403 0.334 997 2HB ARG 573 HB1 ARG 573 -25.691 1.100 -0.982 998 1HG ARG 573 HG2 ARG 573 -23.830 -0.096 -0.478 999 2HG ARG 573 HG1 ARG 573 -24.188 -0.137 1.249 1000 1HD ARG 573 HD2 ARG 573 -25.893 -1.631 -0.708 1001 2HD ARG 573 HD1 ARG 573 -24.378 -2.319 -0.125 1002 HE ARG 573 HE ARG 573 -25.982 -1.430 2.037 1003 1HH1 ARG 573 HH11 ARG 573 -25.696 -4.004 -0.303 1004 2HH1 ARG 573 HH12 ARG 573 -26.485 -5.173 0.701 1005 1HH2 ARG 573 HH21 ARG 573 -27.019 -2.967 3.359 1006 2HH2 ARG 573 HH22 ARG 573 -27.236 -4.584 2.780 1007 H ARG 574 HN ARG 574 -23.596 1.376 2.510 1008 HA ARG 574 HA ARG 574 -25.383 0.581 4.655 1009 1HB ARG 574 HB2 ARG 574 -22.433 0.328 4.170 1010 2HB ARG 574 HB1 ARG 574 -23.106 0.017 5.763 1011 1HG ARG 574 HG2 ARG 574 -24.186 -1.356 3.332 1012 2HG ARG 574 HG1 ARG 574 -22.759 -1.962 4.174 1013 1HD ARG 574 HD2 ARG 574 -25.191 -1.336 5.771 1014 2HD ARG 574 HD1 ARG 574 -25.193 -2.793 4.781 1015 HE ARG 574 HE ARG 574 -23.509 -3.696 6.123 1016 1HH1 ARG 574 HH11 ARG 574 -24.355 -0.468 7.166 1017 2HH1 ARG 574 HH12 ARG 574 -23.592 -0.637 8.709 1018 1HH2 ARG 574 HH21 ARG 574 -22.512 -3.912 8.154 1019 2HH2 ARG 574 HH22 ARG 574 -22.547 -2.589 9.271 1020 H LYS 575 HN LYS 575 -23.265 3.231 3.902 1021 HA LYS 575 HA LYS 575 -23.190 4.234 6.614 1022 1HB LYS 575 HB2 LYS 575 -22.273 5.445 4.000 1023 2HB LYS 575 HB1 LYS 575 -22.016 6.168 5.576 1024 1HG LYS 575 HG2 LYS 575 -21.021 3.420 4.923 1025 2HG LYS 575 HG1 LYS 575 -20.086 4.870 4.555 1026 1HD LYS 575 HD2 LYS 575 -20.166 5.505 6.927 1027 2HD LYS 575 HD1 LYS 575 -21.067 4.029 7.282 1028 1HE LYS 575 HE2 LYS 575 -19.210 2.665 6.612 1029 2HE LYS 575 HE1 LYS 575 -18.324 4.076 6.034 1030 1HZ LYS 575 HZ1 LYS 575 -17.472 3.460 8.157 1031 2HZ LYS 575 HZ2 LYS 575 -19.015 3.435 8.848 1032 3HZ LYS 575 HZ3 LYS 575 -18.334 4.902 8.354 1033 H ASP 576 HN ASP 576 -23.548 6.951 6.331 1034 HA ASP 576 HA ASP 576 -25.570 8.075 4.969 1035 1HB ASP 576 HB2 ASP 576 -26.711 6.019 6.727 1036 2HB ASP 576 HB1 ASP 576 -27.476 7.596 6.888 1037 H PHE 577 HN PHE 577 -26.378 7.847 8.377 1038 HA PHE 577 HA PHE 577 -25.648 10.632 8.708 1039 1HB PHE 577 HB2 PHE 577 -27.307 8.666 10.194 1040 2HB PHE 577 HB1 PHE 577 -26.563 9.952 11.140 1041 HD1 PHE 577 HD1 PHE 577 -29.046 9.132 8.605 1042 HD2 PHE 577 HD2 PHE 577 -27.181 12.277 10.780 1043 HE1 PHE 577 HE1 PHE 577 -30.842 10.667 7.917 1044 HE2 PHE 577 HE2 PHE 577 -28.973 13.818 10.098 1045 HZ PHE 577 HZ PHE 577 -30.808 13.013 8.665 1046 H LEU 578 HN LEU 578 -23.766 11.287 9.499 1047 HA LEU 578 HA LEU 578 -21.706 11.262 10.470 1048 1HB LEU 578 HB2 LEU 578 -23.125 9.369 12.347 1049 2HB LEU 578 HB1 LEU 578 -21.517 10.007 12.632 1050 HG LEU 578 HG LEU 578 -23.934 11.775 12.296 1051 1HD1 LEU 578 HD11 LEU 578 -24.467 11.619 14.480 1052 2HD1 LEU 578 HD12 LEU 578 -22.797 11.353 14.982 1053 3HD1 LEU 578 HD13 LEU 578 -23.743 10.019 14.320 1054 1HD2 LEU 578 HD21 LEU 578 -21.406 12.506 12.067 1055 2HD2 LEU 578 HD22 LEU 578 -21.494 12.501 13.829 1056 3HD2 LEU 578 HD23 LEU 578 -22.589 13.519 12.893 1057 H THR 579 HN THR 579 -22.518 9.239 8.418 1058 HA THR 579 HA THR 579 -20.181 7.518 8.704 1059 HB THR 579 HB THR 579 -22.138 5.873 7.528 1060 HG1 THR 579 HG1 THR 579 -23.893 6.675 8.377 1061 1HG2 THR 579 HG21 THR 579 -21.227 5.741 10.386 1062 2HG2 THR 579 HG22 THR 579 -20.260 5.188 9.019 1063 3HG2 THR 579 HG23 THR 579 -21.807 4.420 9.372 1064 H ALA 580 HN ALA 580 -22.835 8.648 6.617 1065 HA ALA 580 HA ALA 580 -21.851 7.795 4.156 1066 1HB ALA 580 HB1 ALA 580 -24.041 8.696 4.218 1067 2HB ALA 580 HB2 ALA 580 -23.091 9.788 3.216 1068 3HB ALA 580 HB3 ALA 580 -23.473 10.227 4.880 1069 H ALA 581 HN ALA 581 -20.867 10.349 6.244 1070 HA ALA 581 HA ALA 581 -19.463 12.045 4.595 1071 1HB ALA 581 HB1 ALA 581 -19.856 12.194 7.116 1072 2HB ALA 581 HB2 ALA 581 -18.307 12.773 6.501 1073 3HB ALA 581 HB3 ALA 581 -18.413 11.192 7.277 1074 H ARG 582 HN ARG 582 -18.714 8.768 5.595 1075 HA ARG 582 HA ARG 582 -15.940 8.820 5.052 1076 1HB ARG 582 HB2 ARG 582 -18.010 6.758 5.433 1077 2HB ARG 582 HB1 ARG 582 -16.638 6.252 4.457 1078 1HG ARG 582 HG2 ARG 582 -15.351 7.429 6.508 1079 2HG ARG 582 HG1 ARG 582 -16.801 6.850 7.331 1080 1HD ARG 582 HD2 ARG 582 -16.278 4.633 6.040 1081 2HD ARG 582 HD1 ARG 582 -14.650 5.305 5.954 1082 HE ARG 582 HE ARG 582 -15.770 5.335 8.599 1083 1HH1 ARG 582 HH11 ARG 582 -14.019 3.429 6.259 1084 2HH1 ARG 582 HH12 ARG 582 -13.285 2.411 7.451 1085 1HH2 ARG 582 HH21 ARG 582 -14.803 3.997 10.169 1086 2HH2 ARG 582 HH22 ARG 582 -13.729 2.733 9.672 1087 H ILE 583 HN ILE 583 -18.702 7.991 3.010 1088 HA ILE 583 HA ILE 583 -17.154 7.374 0.721 1089 HB ILE 583 HB ILE 583 -20.071 8.105 0.895 1090 1HG1 ILE 583 HG12 ILE 583 -19.844 6.235 2.283 1091 2HG1 ILE 583 HG11 ILE 583 -20.264 5.527 0.729 1092 1HG2 ILE 583 HG21 ILE 583 -19.710 6.323 -1.189 1093 2HG2 ILE 583 HG22 ILE 583 -18.349 7.432 -1.330 1094 3HG2 ILE 583 HG23 ILE 583 -19.995 8.057 -1.326 1095 1HD1 ILE 583 HD11 ILE 583 -18.500 4.195 1.019 1096 2HD1 ILE 583 HD12 ILE 583 -17.884 5.180 2.346 1097 3HD1 ILE 583 HD13 ILE 583 -17.502 5.606 0.682 1098 H ALA 584 HN ALA 584 -19.163 10.221 1.487 1099 HA ALA 584 HA ALA 584 -18.596 11.622 -0.869 1100 1HB ALA 584 HB1 ALA 584 -19.038 13.185 1.605 1101 2HB ALA 584 HB2 ALA 584 -20.293 12.038 1.137 1102 3HB ALA 584 HB3 ALA 584 -19.808 13.317 0.023 1103 H LYS 585 HN LYS 585 -16.880 11.468 2.195 1104 HA LYS 585 HA LYS 585 -15.095 13.606 1.655 1105 1HB LYS 585 HB2 LYS 585 -15.620 12.686 3.925 1106 2HB LYS 585 HB1 LYS 585 -14.649 11.276 3.522 1107 1HG LYS 585 HG2 LYS 585 -13.427 12.914 4.878 1108 2HG LYS 585 HG1 LYS 585 -12.675 12.645 3.304 1109 1HD LYS 585 HD2 LYS 585 -13.405 14.712 2.476 1110 2HD LYS 585 HD1 LYS 585 -14.608 14.898 3.754 1111 1HE LYS 585 HE2 LYS 585 -13.115 15.748 5.209 1112 2HE LYS 585 HE1 LYS 585 -11.832 14.658 4.686 1113 1HZ LYS 585 HZ1 LYS 585 -11.920 16.174 2.568 1114 2HZ LYS 585 HZ2 LYS 585 -11.032 16.638 3.931 1115 3HZ LYS 585 HZ3 LYS 585 -12.563 17.300 3.655 1116 H GLU 586 HN GLU 586 -14.935 10.117 1.074 1117 HA GLU 586 HA GLU 586 -12.191 10.087 0.375 1118 1HB GLU 586 HB2 GLU 586 -14.272 8.189 0.631 1119 2HB GLU 586 HB1 GLU 586 -13.596 7.996 -0.981 1120 1HG GLU 586 HG2 GLU 586 -12.534 6.574 0.760 1121 2HG GLU 586 HG1 GLU 586 -11.415 7.621 -0.108 1122 H MET 587 HN MET 587 -15.112 10.070 -1.711 1123 HA MET 587 HA MET 587 -13.746 10.135 -4.161 1124 1HB MET 587 HB2 MET 587 -16.441 10.346 -3.296 1125 2HB MET 587 HB1 MET 587 -16.134 11.742 -4.317 1126 1HG MET 587 HG2 MET 587 -16.476 10.459 -6.079 1127 2HG MET 587 HG1 MET 587 -15.003 9.580 -5.670 1128 1HE MET 587 HE1 MET 587 -15.522 8.581 -3.100 1129 2HE MET 587 HE2 MET 587 -15.876 6.897 -3.503 1130 3HE MET 587 HE3 MET 587 -17.089 7.877 -2.682 1131 H ILE 588 HN ILE 588 -15.152 12.864 -2.340 1132 HA ILE 588 HA ILE 588 -14.207 14.919 -3.935 1133 HB ILE 588 HB ILE 588 -15.141 14.666 -1.153 1134 1HG1 ILE 588 HG12 ILE 588 -16.015 17.066 -2.116 1135 2HG1 ILE 588 HG11 ILE 588 -15.739 16.176 -3.609 1136 1HG2 ILE 588 HG21 ILE 588 -13.326 16.939 -1.929 1137 2HG2 ILE 588 HG22 ILE 588 -13.106 15.788 -0.611 1138 3HG2 ILE 588 HG23 ILE 588 -14.416 16.967 -0.542 1139 1HD1 ILE 588 HD11 ILE 588 -17.412 15.163 -1.327 1140 2HD1 ILE 588 HD12 ILE 588 -17.249 14.454 -2.935 1141 3HD1 ILE 588 HD13 ILE 588 -18.050 16.013 -2.734 1142 H GLU 589 HN GLU 589 -12.575 12.909 -1.602 1143 HA GLU 589 HA GLU 589 -10.217 14.540 -1.403 1144 1HB GLU 589 HB2 GLU 589 -11.002 11.796 -0.530 1145 2HB GLU 589 HB1 GLU 589 -9.286 12.154 -0.656 1146 1HG GLU 589 HG2 GLU 589 -10.912 14.140 0.786 1147 2HG GLU 589 HG1 GLU 589 -10.750 12.561 1.555 1148 H MET 590 HN MET 590 -11.318 11.837 -3.315 1149 HA MET 590 HA MET 590 -8.875 11.412 -4.708 1150 1HB MET 590 HB2 MET 590 -11.706 10.606 -5.355 1151 2HB MET 590 HB1 MET 590 -10.288 10.037 -6.214 1152 1HG MET 590 HG2 MET 590 -11.188 9.405 -3.435 1153 2HG MET 590 HG1 MET 590 -10.781 8.309 -4.743 1154 1HE MET 590 HE1 MET 590 -8.398 9.855 -1.388 1155 2HE MET 590 HE2 MET 590 -9.880 10.545 -2.049 1156 3HE MET 590 HE3 MET 590 -8.312 11.148 -2.585 1157 H LYS 591 HN LYS 591 -11.672 13.449 -5.150 1158 HA LYS 591 HA LYS 591 -11.159 14.137 -7.864 1159 1HB LYS 591 HB2 LYS 591 -12.774 15.447 -5.678 1160 2HB LYS 591 HB1 LYS 591 -12.635 16.146 -7.285 1161 1HG LYS 591 HG2 LYS 591 -13.793 14.379 -8.282 1162 2HG LYS 591 HG1 LYS 591 -13.571 13.328 -6.882 1163 1HD LYS 591 HD2 LYS 591 -15.666 13.941 -6.353 1164 2HD LYS 591 HD1 LYS 591 -14.912 15.431 -5.784 1165 1HE LYS 591 HE2 LYS 591 -16.398 16.401 -7.175 1166 2HE LYS 591 HE1 LYS 591 -15.193 16.006 -8.401 1167 1HZ LYS 591 HZ1 LYS 591 -16.588 13.749 -8.348 1168 2HZ LYS 591 HZ2 LYS 591 -16.960 15.039 -9.376 1169 3HZ LYS 591 HZ3 LYS 591 -17.811 14.840 -7.929 1170 H LYS 592 HN LYS 592 -10.040 15.253 -4.762 1171 HA LYS 592 HA LYS 592 -8.878 17.695 -5.647 1172 1HB LYS 592 HB2 LYS 592 -9.337 17.518 -3.330 1173 2HB LYS 592 HB1 LYS 592 -8.508 15.974 -3.202 1174 1HG LYS 592 HG2 LYS 592 -6.701 18.019 -4.119 1175 2HG LYS 592 HG1 LYS 592 -7.490 18.503 -2.617 1176 1HD LYS 592 HD2 LYS 592 -5.677 17.340 -1.806 1177 2HD LYS 592 HD1 LYS 592 -6.893 16.063 -1.872 1178 1HE LYS 592 HE2 LYS 592 -5.848 14.972 -3.558 1179 2HE LYS 592 HE1 LYS 592 -5.298 16.462 -4.323 1180 1HZ LYS 592 HZ1 LYS 592 -4.108 15.610 -1.772 1181 2HZ LYS 592 HZ2 LYS 592 -3.437 16.559 -3.001 1182 3HZ LYS 592 HZ3 LYS 592 -3.595 14.889 -3.214 1183 H MET 593 HN MET 593 -7.597 14.431 -5.073 1184 HA MET 593 HA MET 593 -4.928 15.079 -5.763 1185 1HB MET 593 HB2 MET 593 -4.755 12.524 -6.079 1186 2HB MET 593 HB1 MET 593 -5.101 13.155 -4.476 1187 1HG MET 593 HG2 MET 593 -7.209 12.340 -4.454 1188 2HG MET 593 HG1 MET 593 -7.400 12.487 -6.196 1189 1HE MET 593 HE1 MET 593 -8.524 9.468 -6.065 1190 2HE MET 593 HE2 MET 593 -7.396 9.233 -7.399 1191 3HE MET 593 HE3 MET 593 -8.152 10.808 -7.149 1192 H LEU 594 HN LEU 594 -7.722 14.347 -7.657 1193 HA LEU 594 HA LEU 594 -6.216 13.644 -10.023 1194 1HB LEU 594 HB2 LEU 594 -9.143 14.131 -9.509 1195 2HB LEU 594 HB1 LEU 594 -8.513 13.832 -11.115 1196 HG LEU 594 HG LEU 594 -9.139 11.953 -8.982 1197 1HD1 LEU 594 HD11 LEU 594 -10.072 11.983 -11.282 1198 2HD1 LEU 594 HD12 LEU 594 -9.375 10.432 -10.816 1199 3HD1 LEU 594 HD13 LEU 594 -8.484 11.510 -11.889 1200 1HD2 LEU 594 HD21 LEU 594 -7.301 10.443 -9.259 1201 2HD2 LEU 594 HD22 LEU 594 -6.657 12.001 -8.748 1202 3HD2 LEU 594 HD23 LEU 594 -6.536 11.507 -10.438 1203 H SER 595 HN SER 595 -8.235 16.387 -8.990 1204 HA SER 595 HA SER 595 -7.092 17.965 -11.193 1205 1HB SER 595 HB2 SER 595 -9.506 18.701 -9.534 1206 2HB SER 595 HB1 SER 595 -9.013 19.372 -11.090 1207 HG SER 595 HG SER 595 -10.532 17.204 -10.571 1208 H SER 596 HN SER 596 -7.611 20.507 -10.234 1209 HA SER 596 HA SER 596 -6.757 21.056 -7.634 1210 1HB SER 596 HB2 SER 596 -4.649 20.005 -8.973 1211 2HB SER 596 HB1 SER 596 -4.443 21.713 -9.360 1212 HG SER 596 HG SER 596 -4.805 20.724 -6.727 1213 H SER 597 HN SER 597 -5.953 22.274 -10.892 1214 HA SER 597 HA SER 597 -6.506 24.986 -10.114 1215 1HB SER 597 HB2 SER 597 -6.212 24.133 -12.973 1216 2HB SER 597 HB1 SER 597 -5.660 25.613 -12.188 1217 HG SER 597 HG SER 597 -3.983 24.049 -12.691 Start of MODEL 8 1 1H MET 452 HT1 MET 452 -19.870 5.994 7.322 2 2H MET 452 HT2 MET 452 -18.415 5.996 8.230 3 3H MET 452 HT3 MET 452 -18.643 4.852 6.972 4 HA MET 452 HA MET 452 -18.471 6.428 5.331 5 1HB MET 452 HB2 MET 452 -19.087 8.263 7.600 6 2HB MET 452 HB1 MET 452 -18.137 8.900 6.265 7 1HG MET 452 HG2 MET 452 -20.009 7.953 4.772 8 2HG MET 452 HG1 MET 452 -20.949 7.886 6.261 9 1HE MET 452 HE1 MET 452 -20.793 11.630 7.407 10 2HE MET 452 HE2 MET 452 -19.191 10.890 7.393 11 3HE MET 452 HE3 MET 452 -20.586 9.966 7.954 12 H ALA 453 HN ALA 453 -16.553 7.859 4.791 13 HA ALA 453 HA ALA 453 -14.198 6.673 5.953 14 1HB ALA 453 HB1 ALA 453 -13.790 6.885 3.738 15 2HB ALA 453 HB2 ALA 453 -13.186 8.465 4.236 16 3HB ALA 453 HB3 ALA 453 -14.814 8.311 3.575 17 H LYS 454 HN LYS 454 -15.645 9.899 5.801 18 HA LYS 454 HA LYS 454 -15.352 11.765 7.062 19 1HB LYS 454 HB2 LYS 454 -15.648 10.262 8.972 20 2HB LYS 454 HB1 LYS 454 -13.935 9.870 8.947 21 1HG LYS 454 HG2 LYS 454 -13.796 12.549 9.154 22 2HG LYS 454 HG1 LYS 454 -15.320 12.246 9.992 23 1HD LYS 454 HD2 LYS 454 -13.960 10.388 11.213 24 2HD LYS 454 HD1 LYS 454 -12.560 11.319 10.675 25 1HE LYS 454 HE2 LYS 454 -12.945 12.972 12.145 26 2HE LYS 454 HE1 LYS 454 -14.688 12.929 11.882 27 1HZ LYS 454 HZ1 LYS 454 -14.877 11.075 13.361 28 2HZ LYS 454 HZ2 LYS 454 -14.017 12.297 14.154 29 3HZ LYS 454 HZ3 LYS 454 -13.197 10.957 13.525 30 H LYS 455 HN LYS 455 -12.319 10.107 7.901 31 HA LYS 455 HA LYS 455 -10.846 12.061 6.288 32 1HB LYS 455 HB2 LYS 455 -10.756 11.736 9.228 33 2HB LYS 455 HB1 LYS 455 -9.198 11.880 8.426 34 1HG LYS 455 HG2 LYS 455 -11.230 13.846 7.612 35 2HG LYS 455 HG1 LYS 455 -10.659 13.972 9.277 36 1HD LYS 455 HD2 LYS 455 -8.302 13.828 8.268 37 2HD LYS 455 HD1 LYS 455 -9.087 14.182 6.727 38 1HE LYS 455 HE2 LYS 455 -10.175 16.092 8.311 39 2HE LYS 455 HE1 LYS 455 -8.581 15.924 9.045 40 1HZ LYS 455 HZ1 LYS 455 -8.327 16.002 6.235 41 2HZ LYS 455 HZ2 LYS 455 -7.705 17.074 7.386 42 3HZ LYS 455 HZ3 LYS 455 -9.249 17.326 6.744 43 H LEU 456 HN LEU 456 -8.317 11.395 6.698 44 HA LEU 456 HA LEU 456 -8.123 8.478 6.432 45 1HB LEU 456 HB2 LEU 456 -7.851 10.358 4.318 46 2HB LEU 456 HB1 LEU 456 -6.258 9.704 4.650 47 HG LEU 456 HG LEU 456 -8.486 7.758 4.401 48 1HD1 LEU 456 HD11 LEU 456 -7.959 9.710 2.374 49 2HD1 LEU 456 HD12 LEU 456 -9.121 8.383 2.371 50 3HD1 LEU 456 HD13 LEU 456 -7.473 8.113 1.803 51 1HD2 LEU 456 HD21 LEU 456 -6.244 6.996 4.906 52 2HD2 LEU 456 HD22 LEU 456 -5.615 7.825 3.481 53 3HD2 LEU 456 HD23 LEU 456 -6.715 6.459 3.293 54 H LEU 457 HN LEU 457 -5.975 7.629 6.783 55 HA LEU 457 HA LEU 457 -4.637 8.980 8.916 56 1HB LEU 457 HB2 LEU 457 -4.905 6.375 8.210 57 2HB LEU 457 HB1 LEU 457 -3.282 6.696 7.634 58 HG LEU 457 HG LEU 457 -2.571 7.353 9.855 59 1HD1 LEU 457 HD11 LEU 457 -4.207 8.350 11.047 60 2HD1 LEU 457 HD12 LEU 457 -4.447 6.715 11.664 61 3HD1 LEU 457 HD13 LEU 457 -5.474 7.328 10.369 62 1HD2 LEU 457 HD21 LEU 457 -2.645 5.228 10.920 63 2HD2 LEU 457 HD22 LEU 457 -2.623 4.936 9.181 64 3HD2 LEU 457 HD23 LEU 457 -4.132 4.790 10.080 65 HA PRO 458 HA PRO 458 -1.717 11.443 6.690 66 1HB PRO 458 HB2 PRO 458 0.195 10.615 8.814 67 2HB PRO 458 HB1 PRO 458 -0.250 12.236 8.268 68 1HG PRO 458 HG2 PRO 458 -1.170 11.281 10.577 69 2HG PRO 458 HG1 PRO 458 -2.199 12.269 9.525 70 1HD PRO 458 HD2 PRO 458 -2.212 9.314 9.961 71 2HD PRO 458 HD1 PRO 458 -3.573 10.424 9.698 72 H ALA 459 HN ALA 459 -1.054 8.142 7.590 73 HA ALA 459 HA ALA 459 0.687 7.901 5.246 74 1HB ALA 459 HB1 ALA 459 2.512 7.234 6.355 75 2HB ALA 459 HB2 ALA 459 1.581 6.263 7.496 76 3HB ALA 459 HB3 ALA 459 1.761 7.998 7.754 77 H PHE 460 HN PHE 460 0.712 5.871 4.269 78 HA PHE 460 HA PHE 460 -1.516 4.125 5.055 79 1HB PHE 460 HB2 PHE 460 -0.370 4.973 2.487 80 2HB PHE 460 HB1 PHE 460 -0.693 3.245 2.578 81 HD1 PHE 460 HD1 PHE 460 -3.071 2.669 3.633 82 HD2 PHE 460 HD2 PHE 460 -2.045 6.324 1.709 83 HE1 PHE 460 HE1 PHE 460 -5.450 3.085 3.160 84 HE2 PHE 460 HE2 PHE 460 -4.421 6.746 1.233 85 HZ PHE 460 HZ PHE 460 -6.127 5.124 1.958 86 H GLN 461 HN GLN 461 0.634 3.829 6.646 87 HA GLN 461 HA GLN 461 2.676 2.123 5.913 88 1HB GLN 461 HB2 GLN 461 2.600 3.252 8.069 89 2HB GLN 461 HB1 GLN 461 1.226 2.270 8.558 90 1HG GLN 461 HG2 GLN 461 3.363 0.559 7.750 91 2HG GLN 461 HG1 GLN 461 3.963 1.738 8.915 92 1HE2 GLN 461 HE21 GLN 461 1.563 -0.759 8.361 93 2HE2 GLN 461 HE22 GLN 461 1.276 -1.119 10.026 94 H ASN 462 HN ASN 462 -0.683 1.380 6.336 95 HA ASN 462 HA ASN 462 -0.414 -1.385 6.872 96 1HB ASN 462 HB2 ASN 462 -2.502 -0.128 7.269 97 2HB ASN 462 HB1 ASN 462 -2.705 0.066 5.531 98 1HD2 ASN 462 HD21 ASN 462 -3.080 -2.004 8.227 99 2HD2 ASN 462 HD22 ASN 462 -3.805 -3.331 7.394 100 H ALA 463 HN ALA 463 -0.941 0.401 3.831 101 HA ALA 463 HA ALA 463 -0.943 -1.923 2.199 102 1HB ALA 463 HB1 ALA 463 -1.936 -0.072 1.204 103 2HB ALA 463 HB2 ALA 463 -0.394 -0.221 0.357 104 3HB ALA 463 HB3 ALA 463 -0.596 0.996 1.621 105 H GLU 464 HN GLU 464 1.540 0.317 3.265 106 HA GLU 464 HA GLU 464 3.626 -0.476 1.616 107 1HB GLU 464 HB2 GLU 464 3.781 0.389 4.510 108 2HB GLU 464 HB1 GLU 464 5.122 0.376 3.373 109 1HG GLU 464 HG2 GLU 464 4.147 2.105 2.074 110 2HG GLU 464 HG1 GLU 464 2.626 1.997 2.961 111 H ARG 465 HN ARG 465 2.711 -1.743 4.826 112 HA ARG 465 HA ARG 465 4.727 -3.675 4.947 113 1HB ARG 465 HB2 ARG 465 3.356 -4.773 6.685 114 2HB ARG 465 HB1 ARG 465 3.553 -3.048 6.946 115 1HG ARG 465 HG2 ARG 465 1.354 -2.609 6.641 116 2HG ARG 465 HG1 ARG 465 1.143 -3.917 5.482 117 1HD ARG 465 HD2 ARG 465 0.624 -5.423 7.071 118 2HD ARG 465 HD1 ARG 465 1.809 -4.777 8.206 119 HE ARG 465 HE ARG 465 -0.507 -3.104 7.820 120 1HH1 ARG 465 HH11 ARG 465 0.879 -5.730 9.656 121 2HH1 ARG 465 HH12 ARG 465 -0.158 -5.487 11.021 122 1HH2 ARG 465 HH21 ARG 465 -1.870 -2.784 9.614 123 2HH2 ARG 465 HH22 ARG 465 -1.720 -3.816 10.997 124 H LEU 466 HN LEU 466 1.375 -3.982 3.689 125 HA LEU 466 HA LEU 466 1.741 -6.755 3.090 126 1HB LEU 466 HB2 LEU 466 -0.181 -5.652 1.294 127 2HB LEU 466 HB1 LEU 466 -0.421 -6.741 2.638 128 HG LEU 466 HG LEU 466 -0.310 -3.759 3.001 129 1HD1 LEU 466 HD11 LEU 466 -2.963 -4.793 3.172 130 2HD1 LEU 466 HD12 LEU 466 -2.285 -5.201 1.599 131 3HD1 LEU 466 HD13 LEU 466 -2.332 -3.521 2.129 132 1HD2 LEU 466 HD21 LEU 466 -1.462 -4.237 5.076 133 2HD2 LEU 466 HD22 LEU 466 0.014 -5.197 4.990 134 3HD2 LEU 466 HD23 LEU 466 -1.545 -5.950 4.668 135 H LEU 467 HN LEU 467 2.193 -3.763 1.359 136 HA LEU 467 HA LEU 467 2.720 -4.783 -1.199 137 1HB LEU 467 HB2 LEU 467 2.310 -2.428 -0.788 138 2HB LEU 467 HB1 LEU 467 3.709 -2.323 0.253 139 HG LEU 467 HG LEU 467 4.126 -1.227 -1.846 140 1HD1 LEU 467 HD11 LEU 467 6.247 -1.982 -2.119 141 2HD1 LEU 467 HD12 LEU 467 5.765 -3.678 -2.103 142 3HD1 LEU 467 HD13 LEU 467 5.837 -2.767 -0.595 143 1HD2 LEU 467 HD21 LEU 467 3.862 -3.848 -3.295 144 2HD2 LEU 467 HD22 LEU 467 4.027 -2.227 -3.977 145 3HD2 LEU 467 HD23 LEU 467 2.530 -2.696 -3.167 146 H LEU 468 HN LEU 468 4.691 -4.367 1.676 147 HA LEU 468 HA LEU 468 7.204 -4.969 0.600 148 1HB LEU 468 HB2 LEU 468 6.078 -5.423 3.360 149 2HB LEU 468 HB1 LEU 468 7.752 -5.730 2.949 150 HG LEU 468 HG LEU 468 6.328 -3.089 3.080 151 1HD1 LEU 468 HD11 LEU 468 7.207 -3.240 5.126 152 2HD1 LEU 468 HD12 LEU 468 8.725 -2.834 4.324 153 3HD1 LEU 468 HD13 LEU 468 8.328 -4.519 4.660 154 1HD2 LEU 468 HD21 LEU 468 7.551 -3.024 1.011 155 2HD2 LEU 468 HD22 LEU 468 8.985 -3.684 1.796 156 3HD2 LEU 468 HD23 LEU 468 8.414 -2.070 2.219 157 H ALA 469 HN ALA 469 4.678 -7.030 1.971 158 HA ALA 469 HA ALA 469 6.000 -9.483 1.854 159 1HB ALA 469 HB1 ALA 469 3.798 -10.503 1.942 160 2HB ALA 469 HB2 ALA 469 3.049 -8.983 1.457 161 3HB ALA 469 HB3 ALA 469 3.856 -9.106 3.020 162 H HIS 470 HN HIS 470 4.291 -7.663 -0.619 163 HA HIS 470 HA HIS 470 4.081 -9.686 -2.544 164 1HB HIS 470 HB2 HIS 470 2.841 -7.598 -2.688 165 2HB HIS 470 HB1 HIS 470 4.333 -6.694 -2.890 166 HD1 HIS 470 HD1 HIS 470 3.800 -5.762 -5.182 167 HD2 HIS 470 HD2 HIS 470 3.582 -9.905 -5.027 168 HE1 HIS 470 HE1 HIS 470 3.567 -6.514 -7.569 169 HE2 HIS 470 HE2 HIS 470 3.223 -9.000 -7.419 170 H MET 471 HN MET 471 6.508 -7.056 -2.364 171 HA MET 471 HA MET 471 8.110 -8.171 -4.422 172 1HB MET 471 HB2 MET 471 8.750 -6.036 -4.262 173 2HB MET 471 HB1 MET 471 8.257 -5.918 -2.599 174 1HG MET 471 HG2 MET 471 10.733 -7.438 -3.113 175 2HG MET 471 HG1 MET 471 10.792 -5.705 -3.424 176 1HE MET 471 HE1 MET 471 9.288 -4.461 0.028 177 2HE MET 471 HE2 MET 471 8.205 -5.616 -0.758 178 3HE MET 471 HE3 MET 471 9.033 -4.387 -1.721 179 H MET 472 HN MET 472 8.007 -8.613 -0.974 180 HA MET 472 HA MET 472 10.467 -9.819 -0.490 181 1HB MET 472 HB2 MET 472 7.759 -9.985 0.739 182 2HB MET 472 HB1 MET 472 8.938 -11.204 1.197 183 1HG MET 472 HG2 MET 472 10.495 -9.217 1.669 184 2HG MET 472 HG1 MET 472 9.024 -8.248 1.634 185 1HE MET 472 HE1 MET 472 9.078 -7.408 4.172 186 2HE MET 472 HE2 MET 472 7.959 -8.374 5.141 187 3HE MET 472 HE3 MET 472 7.517 -7.905 3.501 188 H ARG 473 HN ARG 473 7.998 -10.870 -2.553 189 HA ARG 473 HA ARG 473 8.758 -13.688 -2.303 190 1HB ARG 473 HB2 ARG 473 6.301 -12.544 -2.545 191 2HB ARG 473 HB1 ARG 473 6.638 -12.986 -4.213 192 1HG ARG 473 HG2 ARG 473 5.471 -14.798 -3.241 193 2HG ARG 473 HG1 ARG 473 7.156 -15.300 -3.392 194 1HD ARG 473 HD2 ARG 473 7.041 -14.121 -0.893 195 2HD ARG 473 HD1 ARG 473 5.509 -14.985 -1.019 196 HE ARG 473 HE ARG 473 7.708 -16.605 -1.830 197 1HH1 ARG 473 HH11 ARG 473 6.029 -15.377 0.972 198 2HH1 ARG 473 HH12 ARG 473 6.514 -16.690 1.993 199 1HH2 ARG 473 HH21 ARG 473 8.347 -18.332 -0.490 200 2HH2 ARG 473 HH22 ARG 473 7.831 -18.367 1.164 201 H SER 474 HN SER 474 7.992 -11.535 -5.085 202 HA SER 474 HA SER 474 10.064 -13.008 -6.584 203 1HB SER 474 HB2 SER 474 7.326 -12.180 -7.285 204 2HB SER 474 HB1 SER 474 8.529 -11.926 -8.549 205 HG SER 474 HG SER 474 9.066 -14.116 -8.406 206 H ARG 475 HN ARG 475 11.366 -11.947 -8.076 207 HA ARG 475 HA ARG 475 12.313 -9.413 -7.304 208 1HB ARG 475 HB2 ARG 475 13.580 -9.597 -9.567 209 2HB ARG 475 HB1 ARG 475 13.959 -10.717 -8.267 210 1HG ARG 475 HG2 ARG 475 11.845 -11.742 -9.953 211 2HG ARG 475 HG1 ARG 475 13.290 -11.350 -10.885 212 1HD ARG 475 HD2 ARG 475 14.417 -13.085 -10.043 213 2HD ARG 475 HD1 ARG 475 13.913 -12.712 -8.396 214 HE ARG 475 HE ARG 475 12.234 -14.263 -8.588 215 1HH1 ARG 475 HH11 ARG 475 13.540 -13.597 -11.756 216 2HH1 ARG 475 HH12 ARG 475 12.672 -14.884 -12.522 217 1HH2 ARG 475 HH21 ARG 475 11.091 -15.957 -9.595 218 2HH2 ARG 475 HH22 ARG 475 11.281 -16.225 -11.295 219 H ASP 476 HN ASP 476 10.622 -10.353 -10.318 220 HA ASP 476 HA ASP 476 10.410 -7.727 -11.321 221 1HB ASP 476 HB2 ASP 476 9.723 -10.318 -12.197 222 2HB ASP 476 HB1 ASP 476 8.222 -9.398 -12.202 223 H VAL 477 HN VAL 477 8.513 -9.647 -9.143 224 HA VAL 477 HA VAL 477 6.176 -8.121 -9.150 225 HB VAL 477 HB VAL 477 7.338 -10.213 -7.494 226 1HG1 VAL 477 HG11 VAL 477 5.806 -8.011 -6.141 227 2HG1 VAL 477 HG12 VAL 477 7.329 -8.759 -5.667 228 3HG1 VAL 477 HG13 VAL 477 5.828 -9.665 -5.527 229 1HG2 VAL 477 HG21 VAL 477 4.680 -10.438 -7.183 230 2HG2 VAL 477 HG22 VAL 477 5.548 -11.013 -8.606 231 3HG2 VAL 477 HG23 VAL 477 4.734 -9.448 -8.641 232 H ALA 478 HN ALA 478 9.245 -7.817 -7.483 233 HA ALA 478 HA ALA 478 8.455 -5.679 -5.799 234 1HB ALA 478 HB1 ALA 478 10.803 -5.317 -5.384 235 2HB ALA 478 HB2 ALA 478 11.216 -6.375 -6.735 236 3HB ALA 478 HB3 ALA 478 10.420 -7.035 -5.305 237 H LEU 479 HN LEU 479 9.622 -5.935 -9.091 238 HA LEU 479 HA LEU 479 10.298 -3.245 -9.513 239 1HB LEU 479 HB2 LEU 479 10.369 -3.797 -11.715 240 2HB LEU 479 HB1 LEU 479 10.178 -5.435 -11.121 241 HG LEU 479 HG LEU 479 7.625 -4.945 -11.365 242 1HD1 LEU 479 HD11 LEU 479 8.439 -3.195 -13.611 243 2HD1 LEU 479 HD12 LEU 479 8.398 -2.482 -11.997 244 3HD1 LEU 479 HD13 LEU 479 6.946 -3.222 -12.672 245 1HD2 LEU 479 HD21 LEU 479 7.733 -6.296 -13.152 246 2HD2 LEU 479 HD22 LEU 479 9.475 -6.276 -12.874 247 3HD2 LEU 479 HD23 LEU 479 8.756 -5.180 -14.055 248 H VAL 480 HN VAL 480 7.299 -4.967 -9.181 249 HA VAL 480 HA VAL 480 5.559 -2.792 -9.881 250 HB VAL 480 HB VAL 480 4.805 -5.116 -8.138 251 1HG1 VAL 480 HG11 VAL 480 2.606 -4.756 -8.938 252 2HG1 VAL 480 HG12 VAL 480 3.169 -3.657 -10.197 253 3HG1 VAL 480 HG13 VAL 480 3.245 -3.171 -8.503 254 1HG2 VAL 480 HG21 VAL 480 5.380 -5.072 -11.062 255 2HG2 VAL 480 HG22 VAL 480 4.056 -6.075 -10.467 256 3HG2 VAL 480 HG23 VAL 480 5.696 -6.332 -9.870 257 H VAL 481 HN VAL 481 6.964 -4.040 -6.889 258 HA VAL 481 HA VAL 481 5.419 -2.348 -5.249 259 HB VAL 481 HB VAL 481 6.689 -3.058 -3.443 260 1HG1 VAL 481 HG11 VAL 481 5.355 -4.796 -4.564 261 2HG1 VAL 481 HG12 VAL 481 6.705 -5.446 -3.643 262 3HG1 VAL 481 HG13 VAL 481 6.810 -5.331 -5.399 263 1HG2 VAL 481 HG21 VAL 481 8.889 -3.863 -5.315 264 2HG2 VAL 481 HG22 VAL 481 8.879 -4.131 -3.582 265 3HG2 VAL 481 HG23 VAL 481 8.911 -2.491 -4.218 266 H GLN 482 HN GLN 482 8.810 -2.139 -6.354 267 HA GLN 482 HA GLN 482 9.316 0.351 -5.141 268 1HB GLN 482 HB2 GLN 482 11.272 0.404 -6.769 269 2HB GLN 482 HB1 GLN 482 11.196 -0.941 -5.641 270 1HG GLN 482 HG2 GLN 482 11.276 -2.375 -7.315 271 2HG GLN 482 HG1 GLN 482 9.807 -1.686 -8.003 272 1HE2 GLN 482 HE21 GLN 482 12.211 -2.757 -9.302 273 2HE2 GLN 482 HE22 GLN 482 12.803 -1.487 -10.314 274 H GLU 483 HN GLU 483 8.435 -0.415 -8.517 275 HA GLU 483 HA GLU 483 8.586 2.338 -9.292 276 1HB GLU 483 HB2 GLU 483 7.545 -0.095 -10.726 277 2HB GLU 483 HB1 GLU 483 7.617 1.504 -11.447 278 1HG GLU 483 HG2 GLU 483 10.161 1.174 -10.496 279 2HG GLU 483 HG1 GLU 483 9.728 -0.454 -11.018 280 H ARG 484 HN ARG 484 5.822 0.117 -8.784 281 HA ARG 484 HA ARG 484 3.900 2.006 -9.592 282 1HB ARG 484 HB2 ARG 484 3.493 -0.331 -7.733 283 2HB ARG 484 HB1 ARG 484 2.244 0.533 -8.618 284 1HG ARG 484 HG2 ARG 484 4.041 -0.236 -10.580 285 2HG ARG 484 HG1 ARG 484 3.969 -1.619 -9.490 286 1HD ARG 484 HD2 ARG 484 1.885 -2.144 -10.116 287 2HD ARG 484 HD1 ARG 484 1.352 -0.465 -10.066 288 HE ARG 484 HE ARG 484 2.020 -1.931 -12.371 289 1HH1 ARG 484 HH11 ARG 484 2.473 1.235 -10.973 290 2HH1 ARG 484 HH12 ARG 484 2.613 2.028 -12.505 291 1HH2 ARG 484 HH21 ARG 484 2.205 -0.889 -14.387 292 2HH2 ARG 484 HH22 ARG 484 2.460 0.823 -14.443 293 H ILE 485 HN ILE 485 5.379 1.450 -6.429 294 HA ILE 485 HA ILE 485 3.602 3.535 -5.360 295 HB ILE 485 HB ILE 485 3.861 2.745 -3.204 296 1HG1 ILE 485 HG12 ILE 485 6.386 1.558 -4.221 297 2HG1 ILE 485 HG11 ILE 485 6.067 2.391 -2.709 298 1HG2 ILE 485 HG21 ILE 485 3.120 0.489 -3.291 299 2HG2 ILE 485 HG22 ILE 485 3.923 0.223 -4.838 300 3HG2 ILE 485 HG23 ILE 485 2.528 1.299 -4.741 301 1HD1 ILE 485 HD11 ILE 485 5.125 -0.397 -3.305 302 2HD1 ILE 485 HD12 ILE 485 5.103 0.445 -1.754 303 3HD1 ILE 485 HD13 ILE 485 6.648 -0.020 -2.483 304 H GLY 486 HN GLY 486 7.000 2.600 -5.633 305 1HA GLY 486 HA2 GLY 486 8.878 3.959 -5.645 306 2HA GLY 486 HA1 GLY 486 7.813 5.352 -5.538 307 H GLY 487 HN GLY 487 9.382 2.805 -3.668 308 1HA GLY 487 HA2 GLY 487 8.635 3.496 -1.103 309 2HA GLY 487 HA1 GLY 487 10.192 2.802 -1.520 310 H ARG 488 HN ARG 488 8.734 5.339 -0.038 311 HA ARG 488 HA ARG 488 11.102 6.739 0.462 312 1HB ARG 488 HB2 ARG 488 10.684 7.376 -1.976 313 2HB ARG 488 HB1 ARG 488 9.296 8.284 -1.393 314 1HG ARG 488 HG2 ARG 488 10.642 9.782 -0.190 315 2HG ARG 488 HG1 ARG 488 12.057 8.735 -0.311 316 1HD ARG 488 HD2 ARG 488 10.851 9.641 -2.855 317 2HD ARG 488 HD1 ARG 488 11.662 10.870 -1.885 318 HE ARG 488 HE ARG 488 13.205 8.471 -2.270 319 1HH1 ARG 488 HH11 ARG 488 12.393 11.604 -3.577 320 2HH1 ARG 488 HH12 ARG 488 13.852 11.736 -4.501 321 1HH2 ARG 488 HH21 ARG 488 15.124 8.643 -3.485 322 2HH2 ARG 488 HH22 ARG 488 15.401 10.055 -4.449 323 H PHE 489 HN PHE 489 9.317 5.855 2.191 324 HA PHE 489 HA PHE 489 7.528 8.062 2.894 325 1HB PHE 489 HB2 PHE 489 7.511 5.175 3.313 326 2HB PHE 489 HB1 PHE 489 7.152 6.072 4.785 327 HD1 PHE 489 HD1 PHE 489 4.931 6.399 5.208 328 HD2 PHE 489 HD2 PHE 489 6.252 6.277 1.164 329 HE1 PHE 489 HE1 PHE 489 2.614 6.724 4.445 330 HE2 PHE 489 HE2 PHE 489 3.937 6.603 0.393 331 HZ PHE 489 HZ PHE 489 2.115 6.828 2.035 332 H ASN 490 HN ASN 490 7.326 7.870 5.580 333 HA ASN 490 HA ASN 490 9.788 9.102 6.443 334 1HB ASN 490 HB2 ASN 490 7.020 8.870 7.495 335 2HB ASN 490 HB1 ASN 490 8.304 9.103 8.679 336 1HD2 ASN 490 HD21 ASN 490 6.917 10.423 5.721 337 2HD2 ASN 490 HD22 ASN 490 7.366 12.063 6.029 338 H ILE 491 HN ILE 491 8.155 6.052 6.879 339 HA ILE 491 HA ILE 491 9.504 5.182 9.197 340 HB ILE 491 HB ILE 491 8.552 3.360 6.994 341 1HG1 ILE 491 HG12 ILE 491 6.943 4.668 9.202 342 2HG1 ILE 491 HG11 ILE 491 6.749 4.930 7.472 343 1HG2 ILE 491 HG21 ILE 491 8.626 2.967 9.982 344 2HG2 ILE 491 HG22 ILE 491 9.883 2.417 8.875 345 3HG2 ILE 491 HG23 ILE 491 8.252 1.757 8.754 346 1HD1 ILE 491 HD11 ILE 491 5.343 3.152 9.022 347 2HD1 ILE 491 HD12 ILE 491 6.521 2.132 8.195 348 3HD1 ILE 491 HD13 ILE 491 5.432 3.158 7.261 349 H GLU 492 HN GLU 492 11.569 4.720 9.482 350 HA GLU 492 HA GLU 492 13.452 4.758 7.381 351 1HB GLU 492 HB2 GLU 492 13.501 4.372 10.303 352 2HB GLU 492 HB1 GLU 492 14.837 3.637 9.428 353 1HG GLU 492 HG2 GLU 492 15.824 5.596 9.118 354 2HG GLU 492 HG1 GLU 492 14.339 6.326 8.510 355 H GLU 493 HN GLU 493 12.233 2.044 9.367 356 HA GLU 493 HA GLU 493 13.830 0.124 8.029 357 1HB GLU 493 HB2 GLU 493 12.286 -1.521 9.150 358 2HB GLU 493 HB1 GLU 493 13.159 -0.431 10.208 359 1HG GLU 493 HG2 GLU 493 10.697 0.798 9.571 360 2HG GLU 493 HG1 GLU 493 10.361 -0.875 10.012 361 H HIS 494 HN HIS 494 10.309 0.825 7.772 362 HA HIS 494 HA HIS 494 9.662 -1.030 5.829 363 1HB HIS 494 HB2 HIS 494 8.514 1.425 6.840 364 2HB HIS 494 HB1 HIS 494 8.265 1.305 5.104 365 HD1 HIS 494 HD1 HIS 494 5.735 0.914 5.397 366 HD2 HIS 494 HD2 HIS 494 8.113 -1.951 7.242 367 HE1 HIS 494 HE1 HIS 494 4.175 -0.960 6.010 368 HE2 HIS 494 HE2 HIS 494 5.652 -2.723 7.038 369 H ARG 495 HN ARG 495 10.756 2.318 5.331 370 HA ARG 495 HA ARG 495 10.969 2.236 2.547 371 1HB ARG 495 HB2 ARG 495 11.158 4.277 4.045 372 2HB ARG 495 HB1 ARG 495 12.808 3.776 4.386 373 1HG ARG 495 HG2 ARG 495 13.097 3.799 1.820 374 2HG ARG 495 HG1 ARG 495 11.632 4.782 1.830 375 1HD ARG 495 HD2 ARG 495 13.475 6.280 1.860 376 2HD ARG 495 HD1 ARG 495 12.773 6.292 3.477 377 HE ARG 495 HE ARG 495 14.719 5.405 4.295 378 1HH1 ARG 495 HH11 ARG 495 14.693 5.069 0.822 379 2HH1 ARG 495 HH12 ARG 495 16.338 4.535 0.737 380 1HH2 ARG 495 HH21 ARG 495 16.882 4.701 4.186 381 2HH2 ARG 495 HH22 ARG 495 17.582 4.327 2.646 382 H ALA 496 HN ALA 496 13.023 1.043 5.099 383 HA ALA 496 HA ALA 496 15.317 0.556 3.490 384 1HB ALA 496 HB1 ALA 496 15.271 0.692 6.025 385 2HB ALA 496 HB2 ALA 496 16.224 -0.613 5.314 386 3HB ALA 496 HB3 ALA 496 14.635 -0.954 5.995 387 H LEU 497 HN LEU 497 12.321 -1.145 4.058 388 HA LEU 497 HA LEU 497 13.189 -3.704 3.198 389 1HB LEU 497 HB2 LEU 497 10.961 -2.993 4.355 390 2HB LEU 497 HB1 LEU 497 10.413 -2.700 2.716 391 HG LEU 497 HG LEU 497 9.661 -4.870 3.255 392 1HD1 LEU 497 HD11 LEU 497 10.953 -4.540 1.060 393 2HD1 LEU 497 HD12 LEU 497 10.597 -6.184 1.587 394 3HD1 LEU 497 HD13 LEU 497 12.209 -5.512 1.827 395 1HD2 LEU 497 HD21 LEU 497 11.235 -6.632 4.077 396 2HD2 LEU 497 HD22 LEU 497 10.915 -5.336 5.227 397 3HD2 LEU 497 HD23 LEU 497 12.430 -5.361 4.326 398 H ALA 498 HN ALA 498 11.441 -1.107 1.558 399 HA ALA 498 HA ALA 498 11.492 -2.133 -1.040 400 1HB ALA 498 HB1 ALA 498 10.162 -0.302 -0.969 401 2HB ALA 498 HB2 ALA 498 11.632 0.476 -1.561 402 3HB ALA 498 HB3 ALA 498 11.215 0.564 0.151 403 H ALA 499 HN ALA 499 13.869 -0.417 0.868 404 HA ALA 499 HA ALA 499 15.758 0.044 -1.212 405 1HB ALA 499 HB1 ALA 499 16.797 1.266 0.330 406 2HB ALA 499 HB2 ALA 499 16.896 -0.097 1.450 407 3HB ALA 499 HB3 ALA 499 15.437 0.899 1.393 408 H TYR 500 HN TYR 500 15.413 -2.474 1.301 409 HA TYR 500 HA TYR 500 17.851 -3.708 1.068 410 1HB TYR 500 HB2 TYR 500 15.220 -5.188 1.285 411 2HB TYR 500 HB1 TYR 500 16.798 -5.808 1.737 412 HD1 TYR 500 HD1 TYR 500 14.142 -5.505 3.316 413 HD2 TYR 500 HD2 TYR 500 17.738 -3.247 3.193 414 HE1 TYR 500 HE1 TYR 500 13.726 -4.775 5.601 415 HE2 TYR 500 HE2 TYR 500 17.337 -2.486 5.503 416 HH TYR 500 HH TYR 500 14.444 -2.684 7.025 417 H ILE 501 HN ILE 501 14.890 -4.488 -0.712 418 HA ILE 501 HA ILE 501 16.039 -6.338 -2.474 419 HB ILE 501 HB ILE 501 14.054 -5.989 -3.874 420 1HG1 ILE 501 HG12 ILE 501 12.323 -4.375 -2.692 421 2HG1 ILE 501 HG11 ILE 501 13.787 -3.580 -2.127 422 1HG2 ILE 501 HG21 ILE 501 13.066 -5.949 -1.069 423 2HG2 ILE 501 HG22 ILE 501 14.165 -7.227 -1.572 424 3HG2 ILE 501 HG23 ILE 501 12.625 -7.014 -2.401 425 1HD1 ILE 501 HD11 ILE 501 13.665 -2.421 -4.026 426 2HD1 ILE 501 HD12 ILE 501 12.538 -3.564 -4.753 427 3HD1 ILE 501 HD13 ILE 501 14.270 -3.882 -4.802 428 H TYR 502 HN TYR 502 15.976 -2.853 -2.496 429 HA TYR 502 HA TYR 502 16.486 -2.321 -5.180 430 1HB TYR 502 HB2 TYR 502 16.385 -0.829 -2.852 431 2HB TYR 502 HB1 TYR 502 18.062 -0.658 -3.357 432 HD1 TYR 502 HD1 TYR 502 14.859 0.698 -3.661 433 HD2 TYR 502 HD2 TYR 502 18.341 -0.132 -5.960 434 HE1 TYR 502 HE1 TYR 502 14.183 2.410 -5.291 435 HE2 TYR 502 HE2 TYR 502 17.676 1.579 -7.597 436 HH TYR 502 HH TYR 502 16.289 3.538 -7.754 437 H ALA 503 HN ALA 503 18.713 -3.162 -2.556 438 HA ALA 503 HA ALA 503 21.070 -3.026 -4.166 439 1HB ALA 503 HB1 ALA 503 20.397 -3.885 -1.423 440 2HB ALA 503 HB2 ALA 503 21.720 -2.874 -2.005 441 3HB ALA 503 HB3 ALA 503 21.825 -4.630 -2.143 442 H PHE 504 HN PHE 504 18.996 -5.687 -3.037 443 HA PHE 504 HA PHE 504 20.407 -7.822 -4.094 444 1HB PHE 504 HB2 PHE 504 17.728 -7.314 -3.113 445 2HB PHE 504 HB1 PHE 504 17.701 -8.446 -4.455 446 HD1 PHE 504 HD1 PHE 504 18.170 -10.683 -4.096 447 HD2 PHE 504 HD2 PHE 504 19.350 -7.814 -1.199 448 HE1 PHE 504 HE1 PHE 504 18.762 -12.504 -2.577 449 HE2 PHE 504 HE2 PHE 504 19.973 -9.617 0.336 450 HZ PHE 504 HZ PHE 504 19.685 -11.977 -0.339 451 H TYR 505 HN TYR 505 17.765 -5.973 -5.645 452 HA TYR 505 HA TYR 505 17.876 -7.321 -8.096 453 1HB TYR 505 HB2 TYR 505 16.954 -4.504 -7.502 454 2HB TYR 505 HB1 TYR 505 16.650 -5.366 -9.011 455 HD1 TYR 505 HD1 TYR 505 14.714 -4.262 -6.708 456 HD2 TYR 505 HD2 TYR 505 16.165 -8.089 -7.844 457 HE1 TYR 505 HE1 TYR 505 12.743 -5.315 -5.674 458 HE2 TYR 505 HE2 TYR 505 14.215 -9.155 -6.821 459 HH TYR 505 HH TYR 505 11.684 -8.232 -6.269 460 H GLU 506 HN GLU 506 19.886 -4.803 -6.798 461 HA GLU 506 HA GLU 506 21.005 -3.930 -9.254 462 1HB GLU 506 HB2 GLU 506 21.749 -3.719 -6.380 463 2HB GLU 506 HB1 GLU 506 23.038 -3.493 -7.554 464 1HG GLU 506 HG2 GLU 506 20.951 -1.947 -8.521 465 2HG GLU 506 HG1 GLU 506 20.904 -1.709 -6.776 466 H GLU 507 HN GLU 507 21.503 -6.648 -7.146 467 HA GLU 507 HA GLU 507 23.453 -7.746 -9.064 468 1HB GLU 507 HB2 GLU 507 23.663 -7.469 -6.131 469 2HB GLU 507 HB1 GLU 507 24.148 -9.024 -6.791 470 1HG GLU 507 HG2 GLU 507 25.256 -6.802 -8.289 471 2HG GLU 507 HG1 GLU 507 25.713 -6.758 -6.587 472 H GLY 508 HN GLY 508 22.155 -9.206 -6.121 473 1HA GLY 508 HA2 GLY 508 21.180 -11.461 -7.662 474 2HA GLY 508 HA1 GLY 508 21.222 -11.329 -5.907 475 H HIS 509 HN HIS 509 19.373 -10.931 -8.733 476 HA HIS 509 HA HIS 509 17.365 -9.214 -8.071 477 1HB HIS 509 HB2 HIS 509 17.089 -11.824 -9.561 478 2HB HIS 509 HB1 HIS 509 15.917 -10.510 -9.592 479 HD1 HIS 509 HD1 HIS 509 16.388 -10.519 -12.225 480 HD2 HIS 509 HD2 HIS 509 19.546 -9.281 -9.819 481 HE1 HIS 509 HE1 HIS 509 17.985 -9.335 -13.766 482 HE2 HIS 509 HE2 HIS 509 19.836 -8.509 -12.271 483 H GLU 510 HN GLU 510 17.138 -9.421 -5.788 484 HA GLU 510 HA GLU 510 16.524 -10.706 -3.840 485 1HB GLU 510 HB2 GLU 510 15.210 -8.587 -4.584 486 2HB GLU 510 HB1 GLU 510 13.889 -9.726 -4.817 487 1HG GLU 510 HG2 GLU 510 14.896 -10.389 -2.333 488 2HG GLU 510 HG1 GLU 510 15.004 -8.632 -2.375 489 H ALA 511 HN ALA 511 13.443 -11.302 -3.974 490 HA ALA 511 HA ALA 511 12.072 -13.082 -4.435 491 1HB ALA 511 HB1 ALA 511 14.424 -14.617 -5.489 492 2HB ALA 511 HB2 ALA 511 13.496 -13.483 -6.477 493 3HB ALA 511 HB3 ALA 511 12.703 -14.896 -5.783 494 H ASP 512 HN ASP 512 15.136 -13.314 -2.832 495 HA ASP 512 HA ASP 512 14.168 -15.543 -1.186 496 1HB ASP 512 HB2 ASP 512 16.580 -15.297 -2.353 497 2HB ASP 512 HB1 ASP 512 16.921 -14.486 -0.828 498 HA PRO 513 HA PRO 513 13.283 -11.795 1.389 499 1HB PRO 513 HB2 PRO 513 11.325 -13.109 2.824 500 2HB PRO 513 HB1 PRO 513 11.038 -12.168 1.358 501 1HG PRO 513 HG2 PRO 513 11.342 -15.123 1.685 502 2HG PRO 513 HG1 PRO 513 10.214 -14.218 0.659 503 1HD PRO 513 HD2 PRO 513 12.409 -15.374 -0.353 504 2HD PRO 513 HD1 PRO 513 11.819 -13.815 -0.964 505 H GLY 514 HN GLY 514 13.706 -15.185 2.343 506 1HA GLY 514 HA2 GLY 514 14.109 -14.817 5.074 507 2HA GLY 514 HA1 GLY 514 14.821 -16.113 4.124 508 H ALA 515 HN ALA 515 16.251 -14.118 2.415 509 HA ALA 515 HA ALA 515 18.602 -13.931 4.064 510 1HB ALA 515 HB1 ALA 515 18.014 -13.327 1.191 511 2HB ALA 515 HB2 ALA 515 19.071 -14.562 1.874 512 3HB ALA 515 HB3 ALA 515 19.547 -12.865 1.929 513 H LEU 516 HN LEU 516 16.682 -11.532 2.235 514 HA LEU 516 HA LEU 516 18.042 -9.335 3.458 515 1HB LEU 516 HB2 LEU 516 16.862 -7.963 2.041 516 2HB LEU 516 HB1 LEU 516 16.923 -9.462 1.136 517 HG LEU 516 HG LEU 516 14.578 -9.858 2.320 518 1HD1 LEU 516 HD11 LEU 516 13.347 -7.914 2.759 519 2HD1 LEU 516 HD12 LEU 516 14.554 -6.875 2.004 520 3HD1 LEU 516 HD13 LEU 516 14.896 -7.639 3.557 521 1HD2 LEU 516 HD21 LEU 516 14.388 -9.951 0.071 522 2HD2 LEU 516 HD22 LEU 516 15.398 -8.527 -0.183 523 3HD2 LEU 516 HD23 LEU 516 13.706 -8.337 0.279 524 H ILE 517 HN ILE 517 15.027 -11.018 4.097 525 HA ILE 517 HA ILE 517 13.736 -9.120 5.666 526 HB ILE 517 HB ILE 517 13.710 -12.132 5.807 527 1HG1 ILE 517 HG12 ILE 517 12.185 -11.930 4.170 528 2HG1 ILE 517 HG11 ILE 517 11.136 -11.105 5.305 529 1HG2 ILE 517 HG21 ILE 517 13.138 -11.774 7.983 530 2HG2 ILE 517 HG22 ILE 517 11.552 -11.619 7.228 531 3HG2 ILE 517 HG23 ILE 517 12.466 -10.174 7.662 532 1HD1 ILE 517 HD11 ILE 517 11.681 -9.016 4.486 533 2HD1 ILE 517 HD12 ILE 517 11.644 -10.015 3.032 534 3HD1 ILE 517 HD13 ILE 517 13.186 -9.576 3.760 535 H SER 518 HN SER 518 16.465 -11.161 6.406 536 HA SER 518 HA SER 518 16.361 -10.475 9.234 537 1HB SER 518 HB2 SER 518 17.111 -12.761 8.060 538 2HB SER 518 HB1 SER 518 18.680 -11.958 8.109 539 HG SER 518 HG SER 518 17.310 -13.128 10.106 540 H ARG 519 HN ARG 519 16.730 -8.241 7.561 541 HA ARG 519 HA ARG 519 19.459 -7.460 8.350 542 1HB ARG 519 HB2 ARG 519 18.117 -7.131 5.694 543 2HB ARG 519 HB1 ARG 519 19.272 -5.918 6.229 544 1HG ARG 519 HG2 ARG 519 21.053 -7.356 6.104 545 2HG ARG 519 HG1 ARG 519 20.050 -8.790 6.331 546 1HD ARG 519 HD2 ARG 519 19.890 -9.076 4.135 547 2HD ARG 519 HD1 ARG 519 19.259 -7.443 3.933 548 HE ARG 519 HE ARG 519 21.345 -6.744 3.276 549 1HH1 ARG 519 HH11 ARG 519 21.587 -9.940 4.658 550 2HH1 ARG 519 HH12 ARG 519 23.225 -10.172 4.149 551 1HH2 ARG 519 HH21 ARG 519 23.500 -7.049 2.605 552 2HH2 ARG 519 HH22 ARG 519 24.311 -8.531 2.984 553 H ILE 520 HN ILE 520 16.308 -6.989 8.868 554 HA ILE 520 HA ILE 520 15.984 -4.182 8.790 555 HB ILE 520 HB ILE 520 14.468 -5.661 10.846 556 1HG1 ILE 520 HG12 ILE 520 14.586 -7.424 9.187 557 2HG1 ILE 520 HG11 ILE 520 12.986 -6.697 9.136 558 1HG2 ILE 520 HG21 ILE 520 12.725 -4.495 9.154 559 2HG2 ILE 520 HG22 ILE 520 14.121 -3.449 8.979 560 3HG2 ILE 520 HG23 ILE 520 13.411 -3.725 10.573 561 1HD1 ILE 520 HD11 ILE 520 14.834 -5.435 7.307 562 2HD1 ILE 520 HD12 ILE 520 13.215 -6.081 7.033 563 3HD1 ILE 520 HD13 ILE 520 14.614 -7.156 6.991 564 HA PRO 521 HA PRO 521 18.083 -2.805 12.428 565 1HB PRO 521 HB2 PRO 521 15.936 -0.837 12.849 566 2HB PRO 521 HB1 PRO 521 17.643 -0.574 12.481 567 1HG PRO 521 HG2 PRO 521 15.730 -0.094 10.667 568 2HG PRO 521 HG1 PRO 521 17.314 -0.740 10.200 569 1HD PRO 521 HD2 PRO 521 14.713 -2.181 10.561 570 2HD PRO 521 HD1 PRO 521 15.921 -2.352 9.269 571 H GLY 522 HN GLY 522 14.493 -2.971 12.796 572 1HA GLY 522 HA2 GLY 522 14.695 -4.730 15.003 573 2HA GLY 522 HA1 GLY 522 14.502 -3.094 15.590 574 H GLU 523 HN GLU 523 12.596 -2.082 13.764 575 HA GLU 523 HA GLU 523 10.264 -3.409 14.826 576 1HB GLU 523 HB2 GLU 523 10.838 -0.814 14.228 577 2HB GLU 523 HB1 GLU 523 9.834 -1.269 12.859 578 1HG GLU 523 HG2 GLU 523 9.058 -1.597 15.748 579 2HG GLU 523 HG1 GLU 523 8.559 -0.266 14.705 580 H LEU 524 HN LEU 524 11.579 -2.889 11.548 581 HA LEU 524 HA LEU 524 9.366 -4.353 10.426 582 1HB LEU 524 HB2 LEU 524 10.011 -2.699 8.971 583 2HB LEU 524 HB1 LEU 524 11.708 -2.897 9.313 584 HG LEU 524 HG LEU 524 11.221 -5.232 8.032 585 1HD1 LEU 524 HD11 LEU 524 8.874 -3.759 7.610 586 2HD1 LEU 524 HD12 LEU 524 9.375 -5.247 6.806 587 3HD1 LEU 524 HD13 LEU 524 9.781 -3.683 6.100 588 1HD2 LEU 524 HD21 LEU 524 13.016 -4.090 7.222 589 2HD2 LEU 524 HD22 LEU 524 12.154 -2.553 7.165 590 3HD2 LEU 524 HD23 LEU 524 11.872 -3.767 5.918 591 H GLN 525 HN GLN 525 11.948 -5.277 12.178 592 HA GLN 525 HA GLN 525 12.877 -7.539 10.705 593 1HB GLN 525 HB2 GLN 525 13.396 -6.343 13.282 594 2HB GLN 525 HB1 GLN 525 13.162 -8.076 13.459 595 1HG GLN 525 HG2 GLN 525 14.855 -7.562 11.214 596 2HG GLN 525 HG1 GLN 525 15.468 -6.710 12.630 597 1HE2 GLN 525 HE21 GLN 525 16.456 -9.072 11.131 598 2HE2 GLN 525 HE22 GLN 525 16.661 -10.309 12.320 599 HA PRO 526 HA PRO 526 9.669 -9.961 13.389 600 1HB PRO 526 HB2 PRO 526 8.020 -7.855 14.612 601 2HB PRO 526 HB1 PRO 526 8.750 -9.276 15.362 602 1HG PRO 526 HG2 PRO 526 9.640 -6.778 15.843 603 2HG PRO 526 HG1 PRO 526 10.719 -8.183 15.826 604 1HD PRO 526 HD2 PRO 526 10.293 -6.094 13.733 605 2HD PRO 526 HD1 PRO 526 11.790 -6.888 14.250 606 H LEU 527 HN LEU 527 8.772 -6.767 12.148 607 HA LEU 527 HA LEU 527 6.204 -7.464 11.193 608 1HB LEU 527 HB2 LEU 527 7.355 -5.141 11.505 609 2HB LEU 527 HB1 LEU 527 7.908 -5.399 9.863 610 HG LEU 527 HG LEU 527 5.372 -5.815 9.367 611 1HD1 LEU 527 HD11 LEU 527 3.909 -4.451 10.777 612 2HD1 LEU 527 HD12 LEU 527 5.257 -4.144 11.873 613 3HD1 LEU 527 HD13 LEU 527 4.632 -5.782 11.682 614 1HD2 LEU 527 HD21 LEU 527 6.741 -3.178 9.797 615 2HD2 LEU 527 HD22 LEU 527 5.114 -3.284 9.127 616 3HD2 LEU 527 HD23 LEU 527 6.465 -4.046 8.287 617 H ALA 528 HN ALA 528 9.270 -7.090 9.424 618 HA ALA 528 HA ALA 528 8.384 -7.917 6.931 619 1HB ALA 528 HB1 ALA 528 11.118 -8.170 8.159 620 2HB ALA 528 HB2 ALA 528 10.504 -6.836 7.181 621 3HB ALA 528 HB3 ALA 528 10.762 -8.421 6.450 622 H SER 529 HN SER 529 9.863 -9.881 9.508 623 HA SER 529 HA SER 529 9.959 -12.308 8.164 624 1HB SER 529 HB2 SER 529 9.806 -11.505 11.025 625 2HB SER 529 HB1 SER 529 9.444 -13.189 10.648 626 HG SER 529 HG SER 529 11.472 -13.338 9.642 627 H GLU 530 HN GLU 530 7.310 -10.943 10.094 628 HA GLU 530 HA GLU 530 5.524 -13.112 9.562 629 1HB GLU 530 HB2 GLU 530 5.130 -10.335 10.673 630 2HB GLU 530 HB1 GLU 530 3.788 -11.441 10.418 631 1HG GLU 530 HG2 GLU 530 6.171 -12.191 12.074 632 2HG GLU 530 HG1 GLU 530 4.793 -11.326 12.749 633 H LEU 531 HN LEU 531 6.343 -10.099 8.046 634 HA LEU 531 HA LEU 531 4.077 -9.943 6.313 635 1HB LEU 531 HB2 LEU 531 6.549 -8.454 6.778 636 2HB LEU 531 HB1 LEU 531 6.052 -8.479 5.100 637 HG LEU 531 HG LEU 531 3.982 -7.411 5.599 638 1HD1 LEU 531 HD11 LEU 531 3.635 -8.677 7.749 639 2HD1 LEU 531 HD12 LEU 531 3.176 -6.974 7.787 640 3HD1 LEU 531 HD13 LEU 531 4.691 -7.497 8.524 641 1HD2 LEU 531 HD21 LEU 531 6.503 -6.288 6.126 642 2HD2 LEU 531 HD22 LEU 531 5.414 -5.672 7.371 643 3HD2 LEU 531 HD23 LEU 531 5.021 -5.455 5.667 644 H SER 532 HN SER 532 6.982 -11.778 6.244 645 HA SER 532 HA SER 532 7.660 -11.910 3.621 646 1HB SER 532 HB2 SER 532 7.715 -13.875 5.845 647 2HB SER 532 HB1 SER 532 7.910 -14.531 4.219 648 HG SER 532 HG SER 532 9.643 -13.071 3.922 649 H LEU 533 HN LEU 533 4.779 -13.122 5.109 650 HA LEU 533 HA LEU 533 3.604 -13.551 2.519 651 1HB LEU 533 HB2 LEU 533 4.673 -15.769 3.426 652 2HB LEU 533 HB1 LEU 533 3.252 -15.798 4.453 653 HG LEU 533 HG LEU 533 3.394 -16.006 1.455 654 1HD1 LEU 533 HD11 LEU 533 2.528 -17.727 3.721 655 2HD1 LEU 533 HD12 LEU 533 3.470 -18.134 2.286 656 3HD1 LEU 533 HD13 LEU 533 1.725 -17.905 2.161 657 1HD2 LEU 533 HD21 LEU 533 0.871 -15.566 3.051 658 2HD2 LEU 533 HD22 LEU 533 1.006 -15.769 1.305 659 3HD2 LEU 533 HD23 LEU 533 1.660 -14.328 2.078 660 H LEU 534 HN LEU 534 2.964 -11.499 4.024 661 HA LEU 534 HA LEU 534 0.945 -12.126 5.931 662 1HB LEU 534 HB2 LEU 534 1.429 -10.075 6.591 663 2HB LEU 534 HB1 LEU 534 2.431 -9.849 5.173 664 HG LEU 534 HG LEU 534 0.344 -9.128 3.956 665 1HD1 LEU 534 HD11 LEU 534 -0.814 -9.850 6.492 666 2HD1 LEU 534 HD12 LEU 534 -1.609 -9.432 4.975 667 3HD1 LEU 534 HD13 LEU 534 -1.150 -8.162 6.108 668 1HD2 LEU 534 HD21 LEU 534 2.147 -7.667 4.999 669 2HD2 LEU 534 HD22 LEU 534 0.989 -7.373 6.297 670 3HD2 LEU 534 HD23 LEU 534 0.597 -6.912 4.643 671 H LEU 535 HN LEU 535 0.983 -11.692 2.523 672 HA LEU 535 HA LEU 535 -1.563 -12.714 2.181 673 1HB LEU 535 HB2 LEU 535 -2.771 -10.716 1.298 674 2HB LEU 535 HB1 LEU 535 -2.535 -10.734 3.033 675 HG LEU 535 HG LEU 535 -0.421 -9.261 2.410 676 1HD1 LEU 535 HD11 LEU 535 -1.334 -7.663 0.561 677 2HD1 LEU 535 HD12 LEU 535 -2.195 -9.105 0.022 678 3HD1 LEU 535 HD13 LEU 535 -0.433 -9.114 0.121 679 1HD2 LEU 535 HD21 LEU 535 -3.115 -8.761 3.245 680 2HD2 LEU 535 HD22 LEU 535 -2.545 -7.420 2.253 681 3HD2 LEU 535 HD23 LEU 535 -1.637 -7.906 3.684 682 H ILE 536 HN ILE 536 0.734 -13.339 1.017 683 HA ILE 536 HA ILE 536 0.173 -12.739 -1.762 684 HB ILE 536 HB ILE 536 2.098 -11.726 -2.339 685 1HG1 ILE 536 HG12 ILE 536 3.507 -13.707 -1.686 686 2HG1 ILE 536 HG11 ILE 536 4.298 -12.149 -1.499 687 1HG2 ILE 536 HG21 ILE 536 1.192 -10.290 -0.663 688 2HG2 ILE 536 HG22 ILE 536 2.951 -10.236 -0.563 689 3HG2 ILE 536 HG23 ILE 536 2.026 -11.173 0.618 690 1HD1 ILE 536 HD11 ILE 536 2.930 -13.499 0.789 691 2HD1 ILE 536 HD12 ILE 536 4.140 -12.214 0.823 692 3HD1 ILE 536 HD13 ILE 536 4.602 -13.852 0.353 693 H ALA 537 HN ALA 537 0.296 -14.473 -2.993 694 HA ALA 537 HA ALA 537 2.141 -16.627 -2.423 695 1HB ALA 537 HB1 ALA 537 -0.658 -17.533 -2.614 696 2HB ALA 537 HB2 ALA 537 -0.174 -16.775 -1.093 697 3HB ALA 537 HB3 ALA 537 0.688 -18.198 -1.685 698 H ASP 538 HN ASP 538 2.968 -16.587 -4.474 699 HA ASP 538 HA ASP 538 3.104 -17.024 -6.703 700 1HB ASP 538 HB2 ASP 538 0.714 -18.483 -5.858 701 2HB ASP 538 HB1 ASP 538 0.670 -18.013 -7.554 702 H ASP 539 HN ASP 539 -0.221 -15.950 -6.038 703 HA ASP 539 HA ASP 539 0.005 -14.042 -8.254 704 1HB ASP 539 HB2 ASP 539 -2.107 -15.705 -7.288 705 2HB ASP 539 HB1 ASP 539 -2.614 -14.026 -7.136 706 H VAL 540 HN VAL 540 0.711 -14.000 -5.094 707 HA VAL 540 HA VAL 540 0.699 -12.489 -3.407 708 HB VAL 540 HB VAL 540 2.262 -11.479 -5.020 709 1HG1 VAL 540 HG11 VAL 540 1.437 -9.466 -6.285 710 2HG1 VAL 540 HG12 VAL 540 -0.203 -10.008 -5.929 711 3HG1 VAL 540 HG13 VAL 540 0.874 -11.024 -6.889 712 1HG2 VAL 540 HG21 VAL 540 1.319 -8.992 -4.055 713 2HG2 VAL 540 HG22 VAL 540 2.588 -10.018 -3.390 714 3HG2 VAL 540 HG23 VAL 540 0.923 -10.215 -2.847 715 H SER 541 HN SER 541 -1.996 -13.115 -4.501 716 HA SER 541 HA SER 541 -4.149 -12.389 -4.329 717 1HB SER 541 HB2 SER 541 -3.016 -12.050 -1.933 718 2HB SER 541 HB1 SER 541 -3.333 -10.352 -2.299 719 HG SER 541 HG SER 541 -5.260 -12.439 -2.337 720 H GLU 542 HN GLU 542 -4.243 -11.466 -6.393 721 HA GLU 542 HA GLU 542 -3.257 -9.076 -7.274 722 1HB GLU 542 HB2 GLU 542 -4.841 -11.000 -8.340 723 2HB GLU 542 HB1 GLU 542 -5.984 -9.669 -8.223 724 1HG GLU 542 HG2 GLU 542 -4.141 -8.283 -9.378 725 2HG GLU 542 HG1 GLU 542 -3.457 -9.850 -9.810 726 H GLN 543 HN GLN 543 -6.518 -9.523 -5.868 727 HA GLN 543 HA GLN 543 -7.365 -6.893 -6.009 728 1HB GLN 543 HB2 GLN 543 -7.941 -9.065 -4.001 729 2HB GLN 543 HB1 GLN 543 -8.700 -7.483 -3.891 730 1HG GLN 543 HG2 GLN 543 -8.857 -9.219 -6.339 731 2HG GLN 543 HG1 GLN 543 -10.045 -9.263 -5.036 732 1HE2 GLN 543 HE21 GLN 543 -9.855 -8.287 -7.988 733 2HE2 GLN 543 HE22 GLN 543 -10.685 -6.772 -7.936 734 H GLU 544 HN GLU 544 -5.418 -8.477 -3.526 735 HA GLU 544 HA GLU 544 -5.224 -6.173 -1.853 736 1HB GLU 544 HB2 GLU 544 -3.187 -8.380 -1.864 737 2HB GLU 544 HB1 GLU 544 -3.771 -7.427 -0.509 738 1HG GLU 544 HG2 GLU 544 -5.598 -9.312 -1.945 739 2HG GLU 544 HG1 GLU 544 -4.476 -9.893 -0.720 740 H LEU 545 HN LEU 545 -3.283 -7.597 -4.407 741 HA LEU 545 HA LEU 545 -0.950 -6.153 -4.158 742 1HB LEU 545 HB2 LEU 545 -1.266 -8.037 -5.671 743 2HB LEU 545 HB1 LEU 545 -2.339 -7.072 -6.663 744 HG LEU 545 HG LEU 545 -0.555 -5.709 -7.436 745 1HD1 LEU 545 HD11 LEU 545 1.315 -7.138 -5.563 746 2HD1 LEU 545 HD12 LEU 545 0.586 -5.572 -5.206 747 3HD1 LEU 545 HD13 LEU 545 1.660 -5.749 -6.590 748 1HD2 LEU 545 HD21 LEU 545 -0.346 -7.467 -8.827 749 2HD2 LEU 545 HD22 LEU 545 -0.266 -8.636 -7.507 750 3HD2 LEU 545 HD23 LEU 545 1.173 -7.723 -7.967 751 H GLU 546 HN GLU 546 -3.782 -5.308 -6.125 752 HA GLU 546 HA GLU 546 -2.721 -2.772 -6.886 753 1HB GLU 546 HB2 GLU 546 -5.618 -3.599 -6.985 754 2HB GLU 546 HB1 GLU 546 -4.804 -2.399 -7.979 755 1HG GLU 546 HG2 GLU 546 -3.580 -5.017 -8.203 756 2HG GLU 546 HG1 GLU 546 -5.288 -5.032 -8.640 757 H ASP 547 HN ASP 547 -4.543 -3.932 -4.176 758 HA ASP 547 HA ASP 547 -5.789 -1.512 -3.444 759 1HB ASP 547 HB2 ASP 547 -6.336 -3.867 -2.648 760 2HB ASP 547 HB1 ASP 547 -4.985 -3.695 -1.532 761 H TYR 548 HN TYR 548 -2.873 -3.067 -2.095 762 HA TYR 548 HA TYR 548 -2.347 -0.764 -0.512 763 1HB TYR 548 HB2 TYR 548 -0.267 -1.995 0.120 764 2HB TYR 548 HB1 TYR 548 -1.771 -2.855 0.405 765 HD1 TYR 548 HD1 TYR 548 0.877 -2.508 -2.175 766 HD2 TYR 548 HD2 TYR 548 -1.926 -5.028 -0.233 767 HE1 TYR 548 HE1 TYR 548 1.743 -4.421 -3.419 768 HE2 TYR 548 HE2 TYR 548 -1.072 -6.953 -1.471 769 HH TYR 548 HH TYR 548 1.656 -6.634 -3.719 770 H ILE 549 HN ILE 549 -0.945 -2.035 -3.540 771 HA ILE 549 HA ILE 549 1.236 -0.281 -3.693 772 HB ILE 549 HB ILE 549 -0.493 -1.239 -5.993 773 1HG1 ILE 549 HG12 ILE 549 2.148 -2.330 -5.028 774 2HG1 ILE 549 HG11 ILE 549 0.595 -3.015 -4.567 775 1HG2 ILE 549 HG21 ILE 549 2.357 -0.268 -6.092 776 2HG2 ILE 549 HG22 ILE 549 0.965 0.756 -6.458 777 3HG2 ILE 549 HG23 ILE 549 1.298 -0.665 -7.446 778 1HD1 ILE 549 HD11 ILE 549 2.017 -3.924 -6.608 779 2HD1 ILE 549 HD12 ILE 549 1.123 -2.662 -7.454 780 3HD1 ILE 549 HD13 ILE 549 0.252 -3.941 -6.606 781 H ARG 550 HN ARG 550 -2.157 0.152 -4.683 782 HA ARG 550 HA ARG 550 -1.831 2.790 -5.673 783 1HB ARG 550 HB2 ARG 550 -4.122 1.039 -4.962 784 2HB ARG 550 HB1 ARG 550 -4.431 2.766 -5.025 785 1HG ARG 550 HG2 ARG 550 -4.927 1.591 -7.140 786 2HG ARG 550 HG1 ARG 550 -3.731 2.877 -7.309 787 1HD ARG 550 HD2 ARG 550 -2.687 0.169 -6.745 788 2HD ARG 550 HD1 ARG 550 -3.413 0.416 -8.332 789 HE ARG 550 HE ARG 550 -1.465 2.401 -7.525 790 1HH1 ARG 550 HH11 ARG 550 -2.040 -0.584 -9.244 791 2HH1 ARG 550 HH12 ARG 550 -0.630 -0.428 -10.236 792 1HH2 ARG 550 HH21 ARG 550 0.388 2.604 -8.825 793 2HH2 ARG 550 HH22 ARG 550 0.747 1.383 -10.000 794 H HIS 551 HN HIS 551 -2.510 1.453 -2.500 795 HA HIS 551 HA HIS 551 -3.343 3.812 -1.224 796 1HB HIS 551 HB2 HIS 551 -2.328 1.171 -0.374 797 2HB HIS 551 HB1 HIS 551 -2.130 2.473 0.794 798 HD1 HIS 551 HD1 HIS 551 -3.984 0.281 1.601 799 HD2 HIS 551 HD2 HIS 551 -5.260 3.566 -0.599 800 HE1 HIS 551 HE1 HIS 551 -6.461 0.438 2.003 801 HE2 HIS 551 HE2 HIS 551 -7.192 2.495 0.747 802 H VAL 552 HN VAL 552 -0.095 2.347 -1.457 803 HA VAL 552 HA VAL 552 1.223 4.404 -0.038 804 HB VAL 552 HB VAL 552 2.366 2.524 -2.107 805 1HG1 VAL 552 HG11 VAL 552 3.774 4.507 -1.545 806 2HG1 VAL 552 HG12 VAL 552 4.508 2.960 -1.121 807 3HG1 VAL 552 HG13 VAL 552 3.781 3.965 0.133 808 1HG2 VAL 552 HG21 VAL 552 3.140 1.403 0.143 809 2HG2 VAL 552 HG22 VAL 552 1.556 1.056 -0.550 810 3HG2 VAL 552 HG23 VAL 552 1.705 2.208 0.777 811 H LEU 553 HN LEU 553 0.272 4.038 -3.377 812 HA LEU 553 HA LEU 553 1.935 5.906 -4.606 813 1HB LEU 553 HB2 LEU 553 0.631 4.533 -6.003 814 2HB LEU 553 HB1 LEU 553 -0.855 4.951 -5.180 815 HG LEU 553 HG LEU 553 -0.417 7.340 -6.129 816 1HD1 LEU 553 HD11 LEU 553 1.089 7.628 -7.776 817 2HD1 LEU 553 HD12 LEU 553 0.856 6.003 -8.419 818 3HD1 LEU 553 HD13 LEU 553 1.885 6.255 -7.009 819 1HD2 LEU 553 HD21 LEU 553 -2.333 6.245 -6.867 820 2HD2 LEU 553 HD22 LEU 553 -1.413 4.942 -7.621 821 3HD2 LEU 553 HD23 LEU 553 -1.440 6.545 -8.359 822 H ASN 554 HN ASN 554 -1.361 6.409 -3.339 823 HA ASN 554 HA ASN 554 -0.883 8.808 -2.039 824 1HB ASN 554 HB2 ASN 554 -0.684 9.243 -4.760 825 2HB ASN 554 HB1 ASN 554 -2.349 9.702 -4.413 826 1HD2 ASN 554 HD21 ASN 554 0.267 11.157 -5.040 827 2HD2 ASN 554 HD22 ASN 554 0.315 12.420 -3.862 828 H ARG 555 HN ARG 555 -3.027 10.113 -1.777 829 HA ARG 555 HA ARG 555 -4.992 8.277 -0.888 830 1HB ARG 555 HB2 ARG 555 -4.579 11.171 -0.804 831 2HB ARG 555 HB1 ARG 555 -6.273 10.722 -0.944 832 1HG ARG 555 HG2 ARG 555 -6.298 9.661 1.100 833 2HG ARG 555 HG1 ARG 555 -4.556 9.380 1.093 834 1HD ARG 555 HD2 ARG 555 -5.781 12.122 1.292 835 2HD ARG 555 HD1 ARG 555 -5.389 11.139 2.703 836 HE ARG 555 HE ARG 555 -3.171 11.448 0.923 837 1HH1 ARG 555 HH11 ARG 555 -4.950 12.972 3.509 838 2HH1 ARG 555 HH12 ARG 555 -3.606 13.929 4.037 839 1HH2 ARG 555 HH21 ARG 555 -1.404 12.704 1.616 840 2HH2 ARG 555 HH22 ARG 555 -1.592 13.777 2.962 841 HA PRO 556 HA PRO 556 -7.535 9.474 -4.668 842 1HB PRO 556 HB2 PRO 556 -6.881 11.640 -6.162 843 2HB PRO 556 HB1 PRO 556 -7.760 11.761 -4.636 844 1HG PRO 556 HG2 PRO 556 -5.022 12.567 -5.256 845 2HG PRO 556 HG1 PRO 556 -6.018 12.979 -3.852 846 1HD PRO 556 HD2 PRO 556 -3.944 10.943 -4.104 847 2HD PRO 556 HD1 PRO 556 -4.751 11.544 -2.645 848 H LYS 557 HN LYS 557 -4.996 11.037 -6.523 849 HA LYS 557 HA LYS 557 -3.917 10.434 -8.418 850 1HB LYS 557 HB2 LYS 557 -3.176 8.671 -6.359 851 2HB LYS 557 HB1 LYS 557 -3.365 7.678 -7.799 852 1HG LYS 557 HG2 LYS 557 -1.085 8.434 -7.618 853 2HG LYS 557 HG1 LYS 557 -1.851 9.188 -9.015 854 1HD LYS 557 HD2 LYS 557 -2.207 11.229 -7.730 855 2HD LYS 557 HD1 LYS 557 -1.484 10.473 -6.309 856 1HE LYS 557 HE2 LYS 557 0.428 11.397 -7.019 857 2HE LYS 557 HE1 LYS 557 0.446 10.093 -8.207 858 1HZ LYS 557 HZ1 LYS 557 -0.664 12.817 -8.619 859 2HZ LYS 557 HZ2 LYS 557 -0.713 11.565 -9.756 860 3HZ LYS 557 HZ3 LYS 557 0.775 12.214 -9.278 861 H TRP 558 HN TRP 558 -3.706 8.675 -10.158 862 HA TRP 558 HA TRP 558 -6.330 8.204 -11.193 863 1HB TRP 558 HB2 TRP 558 -4.016 8.774 -12.374 864 2HB TRP 558 HB1 TRP 558 -3.924 7.020 -12.482 865 HD1 TRP 558 HD1 TRP 558 -5.185 9.916 -14.308 866 HE1 TRP 558 HE1 TRP 558 -6.818 9.208 -16.169 867 HE3 TRP 558 HE3 TRP 558 -6.010 5.083 -12.866 868 HZ2 TRP 558 HZ2 TRP 558 -8.261 6.904 -16.923 869 HZ3 TRP 558 HZ3 TRP 558 -7.529 3.694 -14.212 870 HH2 TRP 558 HH2 TRP 558 -8.629 4.586 -16.199 871 H LEU 559 HN LEU 559 -3.619 6.077 -10.367 872 HA LEU 559 HA LEU 559 -4.745 3.660 -11.024 873 1HB LEU 559 HB2 LEU 559 -2.746 4.412 -8.921 874 2HB LEU 559 HB1 LEU 559 -3.226 2.745 -9.175 875 HG LEU 559 HG LEU 559 -1.109 3.398 -10.331 876 1HD1 LEU 559 HD11 LEU 559 -3.011 1.680 -11.109 877 2HD1 LEU 559 HD12 LEU 559 -1.498 1.913 -11.984 878 3HD1 LEU 559 HD13 LEU 559 -2.964 2.731 -12.525 879 1HD2 LEU 559 HD21 LEU 559 -2.953 5.035 -12.075 880 2HD2 LEU 559 HD22 LEU 559 -1.234 4.751 -12.347 881 3HD2 LEU 559 HD23 LEU 559 -1.761 5.686 -10.948 882 H MET 560 HN MET 560 -5.180 5.478 -8.009 883 HA MET 560 HA MET 560 -6.451 3.513 -6.499 884 1HB MET 560 HB2 MET 560 -5.771 5.920 -5.842 885 2HB MET 560 HB1 MET 560 -7.354 6.376 -6.456 886 1HG MET 560 HG2 MET 560 -7.521 6.103 -4.101 887 2HG MET 560 HG1 MET 560 -8.372 4.763 -4.869 888 1HE MET 560 HE1 MET 560 -7.051 1.776 -3.357 889 2HE MET 560 HE2 MET 560 -6.843 2.105 -5.076 890 3HE MET 560 HE3 MET 560 -8.291 2.666 -4.240 891 H LEU 561 HN LEU 561 -7.684 5.626 -8.990 892 HA LEU 561 HA LEU 561 -10.418 4.944 -8.686 893 1HB LEU 561 HB2 LEU 561 -9.461 6.990 -9.839 894 2HB LEU 561 HB1 LEU 561 -9.080 5.947 -11.192 895 HG LEU 561 HG LEU 561 -11.134 7.229 -11.553 896 1HD1 LEU 561 HD11 LEU 561 -12.218 4.511 -11.289 897 2HD1 LEU 561 HD12 LEU 561 -10.708 4.656 -12.189 898 3HD1 LEU 561 HD13 LEU 561 -12.127 5.575 -12.693 899 1HD2 LEU 561 HD21 LEU 561 -13.147 6.166 -10.156 900 2HD2 LEU 561 HD22 LEU 561 -12.283 7.610 -9.650 901 3HD2 LEU 561 HD23 LEU 561 -11.873 6.053 -8.942 902 H LYS 562 HN LYS 562 -7.786 3.706 -10.690 903 HA LYS 562 HA LYS 562 -9.297 2.015 -12.337 904 1HB LYS 562 HB2 LYS 562 -6.924 2.510 -12.744 905 2HB LYS 562 HB1 LYS 562 -6.483 1.615 -11.297 906 1HG LYS 562 HG2 LYS 562 -8.007 0.276 -13.492 907 2HG LYS 562 HG1 LYS 562 -6.258 0.484 -13.607 908 1HD LYS 562 HD2 LYS 562 -6.291 -0.534 -11.190 909 2HD LYS 562 HD1 LYS 562 -7.856 -1.166 -11.703 910 1HE LYS 562 HE2 LYS 562 -6.569 -2.885 -12.427 911 2HE LYS 562 HE1 LYS 562 -6.411 -1.845 -13.842 912 1HZ LYS 562 HZ1 LYS 562 -4.491 -1.573 -11.633 913 2HZ LYS 562 HZ2 LYS 562 -4.282 -1.251 -13.280 914 3HZ LYS 562 HZ3 LYS 562 -4.313 -2.849 -12.728 915 H VAL 563 HN VAL 563 -7.972 1.583 -9.123 916 HA VAL 563 HA VAL 563 -8.620 -1.163 -8.819 917 HB VAL 563 HB VAL 563 -8.067 1.055 -6.845 918 1HG1 VAL 563 HG11 VAL 563 -7.700 -1.042 -5.291 919 2HG1 VAL 563 HG12 VAL 563 -8.907 -1.762 -6.357 920 3HG1 VAL 563 HG13 VAL 563 -9.291 -0.295 -5.456 921 1HG2 VAL 563 HG21 VAL 563 -5.962 -0.198 -6.505 922 2HG2 VAL 563 HG22 VAL 563 -6.159 0.395 -8.154 923 3HG2 VAL 563 HG23 VAL 563 -6.447 -1.306 -7.789 924 H LYS 564 HN LYS 564 -10.148 1.823 -7.656 925 HA LYS 564 HA LYS 564 -12.397 0.627 -6.488 926 1HB LYS 564 HB2 LYS 564 -11.775 3.378 -7.498 927 2HB LYS 564 HB1 LYS 564 -13.422 2.985 -7.023 928 1HG LYS 564 HG2 LYS 564 -12.935 3.132 -4.859 929 2HG LYS 564 HG1 LYS 564 -11.487 2.138 -5.037 930 1HD LYS 564 HD2 LYS 564 -10.120 3.939 -5.306 931 2HD LYS 564 HD1 LYS 564 -11.370 4.910 -6.086 932 1HE LYS 564 HE2 LYS 564 -12.299 5.565 -4.068 933 2HE LYS 564 HE1 LYS 564 -11.609 4.200 -3.192 934 1HZ LYS 564 HZ1 LYS 564 -10.572 6.458 -2.797 935 2HZ LYS 564 HZ2 LYS 564 -9.918 6.332 -4.352 936 3HZ LYS 564 HZ3 LYS 564 -9.508 5.196 -3.168 937 H GLU 565 HN GLU 565 -11.701 1.655 -9.768 938 HA GLU 565 HA GLU 565 -14.257 1.527 -10.875 939 1HB GLU 565 HB2 GLU 565 -11.563 1.689 -11.834 940 2HB GLU 565 HB1 GLU 565 -12.432 0.486 -12.780 941 1HG GLU 565 HG2 GLU 565 -13.448 3.276 -12.294 942 2HG GLU 565 HG1 GLU 565 -12.480 2.814 -13.694 943 H GLN 566 HN GLN 566 -11.784 -0.990 -10.557 944 HA GLN 566 HA GLN 566 -13.185 -3.010 -11.849 945 1HB GLN 566 HB2 GLN 566 -10.858 -2.852 -10.062 946 2HB GLN 566 HB1 GLN 566 -11.699 -4.397 -10.024 947 1HG GLN 566 HG2 GLN 566 -11.559 -4.340 -12.567 948 2HG GLN 566 HG1 GLN 566 -10.388 -3.041 -12.351 949 1HE2 GLN 566 HE21 GLN 566 -11.008 -6.134 -10.721 950 2HE2 GLN 566 HE22 GLN 566 -9.390 -6.724 -10.854 951 H GLU 567 HN GLU 567 -13.164 -2.117 -8.400 952 HA GLU 567 HA GLU 567 -14.957 -4.218 -7.658 953 1HB GLU 567 HB2 GLU 567 -14.420 -1.681 -6.110 954 2HB GLU 567 HB1 GLU 567 -14.950 -3.236 -5.482 955 1HG GLU 567 HG2 GLU 567 -12.730 -4.158 -6.263 956 2HG GLU 567 HG1 GLU 567 -12.237 -2.486 -6.524 957 H LYS 568 HN LYS 568 -15.109 -0.965 -8.766 958 HA LYS 568 HA LYS 568 -17.767 -0.419 -8.051 959 1HB LYS 568 HB2 LYS 568 -15.695 0.860 -9.718 960 2HB LYS 568 HB1 LYS 568 -17.357 1.312 -10.048 961 1HG LYS 568 HG2 LYS 568 -16.020 2.736 -8.397 962 2HG LYS 568 HG1 LYS 568 -17.653 2.263 -7.950 963 1HD LYS 568 HD2 LYS 568 -15.943 0.228 -7.008 964 2HD LYS 568 HD1 LYS 568 -15.177 1.753 -6.595 965 1HE LYS 568 HE2 LYS 568 -17.080 2.471 -5.367 966 2HE LYS 568 HE1 LYS 568 -18.066 1.161 -6.004 967 1HZ LYS 568 HZ1 LYS 568 -15.841 0.037 -4.740 968 2HZ LYS 568 HZ2 LYS 568 -17.467 -0.070 -4.287 969 3HZ LYS 568 HZ3 LYS 568 -16.504 1.183 -3.685 970 H THR 569 HN THR 569 -16.256 -1.744 -10.929 971 HA THR 569 HA THR 569 -18.665 -1.691 -12.466 972 HB THR 569 HB THR 569 -16.207 -1.711 -13.260 973 HG1 THR 569 HG1 THR 569 -18.188 -1.848 -14.559 974 1HG2 THR 569 HG21 THR 569 -15.394 -3.874 -14.029 975 2HG2 THR 569 HG22 THR 569 -16.708 -4.671 -13.164 976 3HG2 THR 569 HG23 THR 569 -15.470 -3.790 -12.269 977 H GLU 570 HN GLU 570 -16.811 -4.295 -10.866 978 HA GLU 570 HA GLU 570 -18.443 -6.437 -11.501 979 1HB GLU 570 HB2 GLU 570 -17.580 -7.542 -9.524 980 2HB GLU 570 HB1 GLU 570 -16.288 -6.617 -10.276 981 1HG GLU 570 HG2 GLU 570 -16.576 -4.852 -8.622 982 2HG GLU 570 HG1 GLU 570 -17.890 -5.760 -7.876 983 H ALA 571 HN ALA 571 -18.748 -4.058 -8.926 984 HA ALA 571 HA ALA 571 -21.201 -5.191 -7.943 985 1HB ALA 571 HB1 ALA 571 -19.338 -3.185 -7.037 986 2HB ALA 571 HB2 ALA 571 -20.517 -4.122 -6.125 987 3HB ALA 571 HB3 ALA 571 -21.005 -2.618 -6.905 988 H GLU 572 HN GLU 572 -20.262 -2.699 -10.262 989 HA GLU 572 HA GLU 572 -22.671 -1.281 -10.330 990 1HB GLU 572 HB2 GLU 572 -21.838 -0.256 -12.173 991 2HB GLU 572 HB1 GLU 572 -20.365 -1.089 -11.724 992 1HG GLU 572 HG2 GLU 572 -20.526 -1.507 -13.981 993 2HG GLU 572 HG1 GLU 572 -21.212 -2.965 -13.274 994 H ARG 573 HN ARG 573 -21.742 -4.274 -11.943 995 HA ARG 573 HA ARG 573 -24.245 -4.594 -13.287 996 1HB ARG 573 HB2 ARG 573 -23.365 -6.803 -13.926 997 2HB ARG 573 HB1 ARG 573 -22.239 -5.499 -14.273 998 1HG ARG 573 HG2 ARG 573 -21.012 -6.059 -12.202 999 2HG ARG 573 HG1 ARG 573 -22.101 -7.427 -11.965 1000 1HD ARG 573 HD2 ARG 573 -20.483 -7.049 -14.473 1001 2HD ARG 573 HD1 ARG 573 -19.868 -7.921 -13.069 1002 HE ARG 573 HE ARG 573 -22.413 -8.898 -13.911 1003 1HH1 ARG 573 HH11 ARG 573 -18.992 -9.034 -14.591 1004 2HH1 ARG 573 HH12 ARG 573 -19.073 -10.601 -15.323 1005 1HH2 ARG 573 HH21 ARG 573 -22.520 -10.962 -14.874 1006 2HH2 ARG 573 HH22 ARG 573 -21.074 -11.695 -15.483 1007 H ARG 574 HN ARG 574 -22.777 -6.151 -10.413 1008 HA ARG 574 HA ARG 574 -25.399 -7.401 -9.912 1009 1HB ARG 574 HB2 ARG 574 -22.616 -8.319 -9.528 1010 2HB ARG 574 HB1 ARG 574 -23.773 -8.800 -8.295 1011 1HG ARG 574 HG2 ARG 574 -24.975 -9.250 -10.819 1012 2HG ARG 574 HG1 ARG 574 -23.343 -9.918 -10.869 1013 1HD ARG 574 HD2 ARG 574 -25.579 -10.582 -8.973 1014 2HD ARG 574 HD1 ARG 574 -24.723 -11.658 -10.077 1015 HE ARG 574 HE ARG 574 -23.901 -10.864 -7.439 1016 1HH1 ARG 574 HH11 ARG 574 -22.817 -12.047 -10.539 1017 2HH1 ARG 574 HH12 ARG 574 -21.373 -12.760 -9.902 1018 1HH2 ARG 574 HH21 ARG 574 -22.003 -11.801 -6.600 1019 2HH2 ARG 574 HH22 ARG 574 -20.911 -12.621 -7.666 1020 H LYS 575 HN LYS 575 -23.820 -4.763 -8.855 1021 HA LYS 575 HA LYS 575 -24.007 -3.454 -7.002 1022 1HB LYS 575 HB2 LYS 575 -26.170 -5.449 -6.316 1023 2HB LYS 575 HB1 LYS 575 -25.838 -4.006 -5.370 1024 1HG LYS 575 HG2 LYS 575 -27.563 -3.298 -6.703 1025 2HG LYS 575 HG1 LYS 575 -26.162 -2.771 -7.637 1026 1HD LYS 575 HD2 LYS 575 -27.747 -3.815 -9.120 1027 2HD LYS 575 HD1 LYS 575 -26.332 -4.857 -8.972 1028 1HE LYS 575 HE2 LYS 575 -28.554 -6.031 -8.878 1029 2HE LYS 575 HE1 LYS 575 -27.472 -6.348 -7.523 1030 1HZ LYS 575 HZ1 LYS 575 -30.014 -5.681 -7.219 1031 2HZ LYS 575 HZ2 LYS 575 -29.331 -4.133 -7.199 1032 3HZ LYS 575 HZ3 LYS 575 -28.824 -5.295 -6.079 1033 H ASP 576 HN ASP 576 -22.700 -3.276 -5.296 1034 HA ASP 576 HA ASP 576 -21.122 -5.420 -4.418 1035 1HB ASP 576 HB2 ASP 576 -20.959 -2.715 -4.201 1036 2HB ASP 576 HB1 ASP 576 -21.407 -3.146 -2.554 1037 H PHE 577 HN PHE 577 -20.985 -5.242 -1.663 1038 HA PHE 577 HA PHE 577 -22.849 -7.121 -0.821 1039 1HB PHE 577 HB2 PHE 577 -20.633 -5.787 0.298 1040 2HB PHE 577 HB1 PHE 577 -21.970 -5.521 1.412 1041 HD1 PHE 577 HD1 PHE 577 -19.581 -7.885 0.121 1042 HD2 PHE 577 HD2 PHE 577 -23.169 -7.484 2.373 1043 HE1 PHE 577 HE1 PHE 577 -19.252 -10.143 1.041 1044 HE2 PHE 577 HE2 PHE 577 -22.846 -9.740 3.298 1045 HZ PHE 577 HZ PHE 577 -20.886 -11.074 2.632 1046 H LEU 578 HN LEU 578 -22.831 -3.608 -0.288 1047 HA LEU 578 HA LEU 578 -25.424 -3.686 0.989 1048 1HB LEU 578 HB2 LEU 578 -23.289 -1.722 0.595 1049 2HB LEU 578 HB1 LEU 578 -24.896 -1.037 0.448 1050 HG LEU 578 HG LEU 578 -25.353 -2.235 2.711 1051 1HD1 LEU 578 HD11 LEU 578 -23.003 -2.007 3.966 1052 2HD1 LEU 578 HD12 LEU 578 -22.432 -2.524 2.379 1053 3HD1 LEU 578 HD13 LEU 578 -23.581 -3.522 3.271 1054 1HD2 LEU 578 HD21 LEU 578 -23.976 -0.228 3.808 1055 2HD2 LEU 578 HD22 LEU 578 -25.484 0.017 2.927 1056 3HD2 LEU 578 HD23 LEU 578 -23.939 0.297 2.124 1057 H THR 579 HN THR 579 -24.334 -1.574 -1.653 1058 HA THR 579 HA THR 579 -26.307 -2.532 -3.488 1059 HB THR 579 HB THR 579 -26.778 0.319 -2.756 1060 HG1 THR 579 HG1 THR 579 -28.126 -0.223 -1.103 1061 1HG2 THR 579 HG21 THR 579 -28.069 -1.659 -4.354 1062 2HG2 THR 579 HG22 THR 579 -28.436 0.059 -4.185 1063 3HG2 THR 579 HG23 THR 579 -29.166 -1.112 -3.087 1064 H ALA 580 HN ALA 580 -26.479 -0.867 -5.395 1065 HA ALA 580 HA ALA 580 -23.895 -0.572 -6.468 1066 1HB ALA 580 HB1 ALA 580 -24.946 -0.092 -8.398 1067 2HB ALA 580 HB2 ALA 580 -26.010 1.099 -7.647 1068 3HB ALA 580 HB3 ALA 580 -26.381 -0.621 -7.519 1069 H ALA 581 HN ALA 581 -25.596 1.405 -4.291 1070 HA ALA 581 HA ALA 581 -24.936 3.986 -4.961 1071 1HB ALA 581 HB1 ALA 581 -26.352 3.368 -3.055 1072 2HB ALA 581 HB2 ALA 581 -25.096 4.519 -2.599 1073 3HB ALA 581 HB3 ALA 581 -24.922 2.815 -2.182 1074 H ARG 582 HN ARG 582 -22.840 1.473 -3.715 1075 HA ARG 582 HA ARG 582 -20.706 3.200 -2.947 1076 1HB ARG 582 HB2 ARG 582 -21.166 0.306 -3.164 1077 2HB ARG 582 HB1 ARG 582 -19.508 0.789 -3.492 1078 1HG ARG 582 HG2 ARG 582 -20.961 1.721 -1.043 1079 2HG ARG 582 HG1 ARG 582 -20.118 0.172 -1.096 1080 1HD ARG 582 HD2 ARG 582 -18.458 1.523 -0.278 1081 2HD ARG 582 HD1 ARG 582 -18.143 1.638 -2.009 1082 HE ARG 582 HE ARG 582 -18.572 3.864 -1.848 1083 1HH1 ARG 582 HH11 ARG 582 -20.241 2.253 0.759 1084 2HH1 ARG 582 HH12 ARG 582 -20.836 3.724 1.453 1085 1HH2 ARG 582 HH21 ARG 582 -19.352 5.800 -0.936 1086 2HH2 ARG 582 HH22 ARG 582 -20.332 5.738 0.492 1087 H ILE 583 HN ILE 583 -21.630 1.557 -5.890 1088 HA ILE 583 HA ILE 583 -19.222 1.967 -7.307 1089 HB ILE 583 HB ILE 583 -21.980 1.649 -8.476 1090 1HG1 ILE 583 HG12 ILE 583 -21.676 -0.198 -6.994 1091 2HG1 ILE 583 HG11 ILE 583 -21.328 -0.795 -8.612 1092 1HG2 ILE 583 HG21 ILE 583 -20.743 0.663 -10.381 1093 2HG2 ILE 583 HG22 ILE 583 -19.234 1.125 -9.594 1094 3HG2 ILE 583 HG23 ILE 583 -20.373 2.367 -10.110 1095 1HD1 ILE 583 HD11 ILE 583 -18.921 0.156 -7.363 1096 2HD1 ILE 583 HD12 ILE 583 -19.299 -1.445 -7.990 1097 3HD1 ILE 583 HD13 ILE 583 -19.733 -1.019 -6.335 1098 H ALA 584 HN ALA 584 -22.239 3.813 -7.132 1099 HA ALA 584 HA ALA 584 -21.490 5.753 -9.057 1100 1HB ALA 584 HB1 ALA 584 -23.462 6.108 -6.809 1101 2HB ALA 584 HB2 ALA 584 -23.824 5.270 -8.318 1102 3HB ALA 584 HB3 ALA 584 -23.407 6.983 -8.339 1103 H LYS 585 HN LYS 585 -20.953 5.439 -5.615 1104 HA LYS 585 HA LYS 585 -20.176 8.129 -5.142 1105 1HB LYS 585 HB2 LYS 585 -20.850 6.203 -3.486 1106 2HB LYS 585 HB1 LYS 585 -19.124 5.867 -3.493 1107 1HG LYS 585 HG2 LYS 585 -19.850 8.683 -3.072 1108 2HG LYS 585 HG1 LYS 585 -20.337 7.572 -1.791 1109 1HD LYS 585 HD2 LYS 585 -17.850 6.705 -2.120 1110 2HD LYS 585 HD1 LYS 585 -17.620 8.354 -2.706 1111 1HE LYS 585 HE2 LYS 585 -18.568 9.216 -0.613 1112 2HE LYS 585 HE1 LYS 585 -18.764 7.564 -0.029 1113 1HZ LYS 585 HZ1 LYS 585 -16.096 8.301 -0.918 1114 2HZ LYS 585 HZ2 LYS 585 -16.576 7.364 0.405 1115 3HZ LYS 585 HZ3 LYS 585 -16.635 9.051 0.499 1116 H GLU 586 HN GLU 586 -18.402 5.224 -6.081 1117 HA GLU 586 HA GLU 586 -15.840 6.454 -5.745 1118 1HB GLU 586 HB2 GLU 586 -16.852 3.843 -6.612 1119 2HB GLU 586 HB1 GLU 586 -15.351 4.335 -7.384 1120 1HG GLU 586 HG2 GLU 586 -14.947 3.015 -5.367 1121 2HG GLU 586 HG1 GLU 586 -14.302 4.647 -5.225 1122 H MET 587 HN MET 587 -18.055 6.018 -8.440 1123 HA MET 587 HA MET 587 -16.179 6.879 -10.427 1124 1HB MET 587 HB2 MET 587 -18.781 5.756 -10.407 1125 2HB MET 587 HB1 MET 587 -18.896 7.282 -11.272 1126 1HG MET 587 HG2 MET 587 -18.242 6.117 -13.049 1127 2HG MET 587 HG1 MET 587 -16.632 6.200 -12.337 1128 1HE MET 587 HE1 MET 587 -16.263 3.085 -10.362 1129 2HE MET 587 HE2 MET 587 -17.880 3.476 -9.783 1130 3HE MET 587 HE3 MET 587 -16.685 4.758 -9.996 1131 H ILE 588 HN ILE 588 -18.522 8.437 -8.382 1132 HA ILE 588 HA ILE 588 -18.470 10.921 -9.807 1133 HB ILE 588 HB ILE 588 -19.652 11.905 -7.918 1134 1HG1 ILE 588 HG12 ILE 588 -20.331 10.250 -6.071 1135 2HG1 ILE 588 HG11 ILE 588 -18.934 9.324 -6.591 1136 1HG2 ILE 588 HG21 ILE 588 -21.491 9.964 -7.803 1137 2HG2 ILE 588 HG22 ILE 588 -20.544 9.390 -9.175 1138 3HG2 ILE 588 HG23 ILE 588 -21.263 10.999 -9.212 1139 1HD1 ILE 588 HD11 ILE 588 -18.181 12.046 -6.223 1140 2HD1 ILE 588 HD12 ILE 588 -17.599 10.604 -5.391 1141 3HD1 ILE 588 HD13 ILE 588 -19.017 11.461 -4.786 1142 H GLU 589 HN GLU 589 -16.715 9.469 -7.150 1143 HA GLU 589 HA GLU 589 -15.273 11.889 -6.522 1144 1HB GLU 589 HB2 GLU 589 -13.762 10.414 -5.229 1145 2HB GLU 589 HB1 GLU 589 -15.448 10.164 -4.803 1146 1HG GLU 589 HG2 GLU 589 -15.525 8.165 -6.127 1147 2HG GLU 589 HG1 GLU 589 -13.873 8.424 -6.680 1148 H MET 590 HN MET 590 -15.117 9.233 -8.687 1149 HA MET 590 HA MET 590 -12.523 9.245 -9.626 1150 1HB MET 590 HB2 MET 590 -14.285 7.630 -10.284 1151 2HB MET 590 HB1 MET 590 -15.079 8.890 -11.192 1152 1HG MET 590 HG2 MET 590 -12.383 8.722 -12.071 1153 2HG MET 590 HG1 MET 590 -13.088 7.109 -12.053 1154 1HE MET 590 HE1 MET 590 -15.418 10.115 -12.397 1155 2HE MET 590 HE2 MET 590 -15.384 10.497 -14.121 1156 3HE MET 590 HE3 MET 590 -13.971 10.820 -13.116 1157 H LYS 591 HN LYS 591 -15.280 11.173 -10.651 1158 HA LYS 591 HA LYS 591 -13.723 12.647 -12.510 1159 1HB LYS 591 HB2 LYS 591 -15.819 14.263 -12.320 1160 2HB LYS 591 HB1 LYS 591 -15.901 12.749 -13.202 1161 1HG LYS 591 HG2 LYS 591 -17.757 12.406 -12.008 1162 2HG LYS 591 HG1 LYS 591 -16.659 11.953 -10.712 1163 1HD LYS 591 HD2 LYS 591 -16.780 14.132 -9.744 1164 2HD LYS 591 HD1 LYS 591 -17.646 14.765 -11.145 1165 1HE LYS 591 HE2 LYS 591 -18.655 12.793 -9.091 1166 2HE LYS 591 HE1 LYS 591 -19.239 14.426 -9.394 1167 1HZ LYS 591 HZ1 LYS 591 -19.564 13.320 -11.796 1168 2HZ LYS 591 HZ2 LYS 591 -20.767 13.348 -10.608 1169 3HZ LYS 591 HZ3 LYS 591 -19.814 11.966 -10.813 1170 H LYS 592 HN LYS 592 -14.536 12.985 -9.160 1171 HA LYS 592 HA LYS 592 -13.893 15.719 -8.836 1172 1HB LYS 592 HB2 LYS 592 -15.164 14.251 -7.216 1173 2HB LYS 592 HB1 LYS 592 -13.623 13.545 -6.758 1174 1HG LYS 592 HG2 LYS 592 -14.199 16.489 -6.563 1175 2HG LYS 592 HG1 LYS 592 -14.515 15.354 -5.252 1176 1HD LYS 592 HD2 LYS 592 -11.852 16.040 -6.489 1177 2HD LYS 592 HD1 LYS 592 -12.391 16.366 -4.845 1178 1HE LYS 592 HE2 LYS 592 -11.775 13.684 -6.076 1179 2HE LYS 592 HE1 LYS 592 -10.905 14.495 -4.775 1180 1HZ LYS 592 HZ1 LYS 592 -12.400 12.709 -4.006 1181 2HZ LYS 592 HZ2 LYS 592 -13.725 13.588 -4.583 1182 3HZ LYS 592 HZ3 LYS 592 -12.774 14.216 -3.333 1183 H MET 593 HN MET 593 -12.009 12.779 -8.164 1184 HA MET 593 HA MET 593 -9.640 14.095 -7.444 1185 1HB MET 593 HB2 MET 593 -8.565 11.869 -7.936 1186 2HB MET 593 HB1 MET 593 -9.907 11.831 -6.801 1187 1HG MET 593 HG2 MET 593 -11.288 10.730 -8.249 1188 2HG MET 593 HG1 MET 593 -10.457 11.335 -9.679 1189 1HE MET 593 HE1 MET 593 -10.329 8.537 -6.775 1190 2HE MET 593 HE2 MET 593 -10.143 7.285 -8.002 1191 3HE MET 593 HE3 MET 593 -11.468 8.449 -8.120 1192 H LEU 594 HN LEU 594 -10.893 13.096 -10.569 1193 HA LEU 594 HA LEU 594 -8.394 13.815 -11.880 1194 1HB LEU 594 HB2 LEU 594 -10.954 12.852 -13.142 1195 2HB LEU 594 HB1 LEU 594 -9.375 12.936 -13.897 1196 HG LEU 594 HG LEU 594 -10.481 10.908 -12.043 1197 1HD1 LEU 594 HD11 LEU 594 -10.169 10.564 -14.474 1198 2HD1 LEU 594 HD12 LEU 594 -9.304 9.399 -13.470 1199 3HD1 LEU 594 HD13 LEU 594 -8.430 10.728 -14.231 1200 1HD2 LEU 594 HD21 LEU 594 -8.743 11.578 -10.609 1201 2HD2 LEU 594 HD22 LEU 594 -7.630 11.843 -11.951 1202 3HD2 LEU 594 HD23 LEU 594 -8.098 10.202 -11.506 1203 H SER 595 HN SER 595 -11.261 15.378 -10.991 1204 HA SER 595 HA SER 595 -10.537 17.648 -12.662 1205 1HB SER 595 HB2 SER 595 -12.845 15.974 -13.182 1206 2HB SER 595 HB1 SER 595 -13.331 17.634 -12.838 1207 HG SER 595 HG SER 595 -12.520 16.791 -15.105 1208 H SER 596 HN SER 596 -13.579 17.087 -10.939 1209 HA SER 596 HA SER 596 -14.541 18.148 -9.172 1210 1HB SER 596 HB2 SER 596 -12.843 17.166 -7.799 1211 2HB SER 596 HB1 SER 596 -11.643 18.341 -8.333 1212 HG SER 596 HG SER 596 -13.889 18.760 -6.664 1213 H SER 597 HN SER 597 -13.794 19.651 -11.580 1214 HA SER 597 HA SER 597 -14.311 22.285 -10.551 1215 1HB SER 597 HB2 SER 597 -11.661 21.620 -11.823 1216 2HB SER 597 HB1 SER 597 -12.324 23.254 -11.871 1217 HG SER 597 HG SER 597 -11.521 21.730 -9.638 Start of MODEL 9 1 1H MET 452 HT1 MET 452 0.691 10.604 26.429 2 2H MET 452 HT2 MET 452 2.264 10.640 25.743 3 3H MET 452 HT3 MET 452 0.906 10.263 24.764 4 HA MET 452 HA MET 452 0.086 12.401 24.861 5 1HB MET 452 HB2 MET 452 0.536 12.671 27.286 6 2HB MET 452 HB1 MET 452 2.237 12.935 26.924 7 1HG MET 452 HG2 MET 452 1.227 15.052 27.294 8 2HG MET 452 HG1 MET 452 1.575 14.914 25.572 9 1HE MET 452 HE1 MET 452 -1.660 15.375 23.850 10 2HE MET 452 HE2 MET 452 -0.161 14.450 23.746 11 3HE MET 452 HE3 MET 452 -0.110 16.176 24.107 12 H ALA 453 HN ALA 453 3.605 12.157 25.427 13 HA ALA 453 HA ALA 453 4.322 14.001 23.425 14 1HB ALA 453 HB1 ALA 453 5.713 13.078 25.390 15 2HB ALA 453 HB2 ALA 453 6.533 13.433 23.870 16 3HB ALA 453 HB3 ALA 453 6.124 11.768 24.283 17 H LYS 454 HN LYS 454 4.173 10.454 23.401 18 HA LYS 454 HA LYS 454 4.661 10.469 20.512 19 1HB LYS 454 HB2 LYS 454 5.897 8.928 22.177 20 2HB LYS 454 HB1 LYS 454 4.401 8.006 22.217 21 1HG LYS 454 HG2 LYS 454 5.729 6.931 20.627 22 2HG LYS 454 HG1 LYS 454 4.591 7.893 19.682 23 1HD LYS 454 HD2 LYS 454 7.067 9.300 20.371 24 2HD LYS 454 HD1 LYS 454 7.304 7.882 19.346 25 1HE LYS 454 HE2 LYS 454 6.057 8.762 17.614 26 2HE LYS 454 HE1 LYS 454 5.154 9.842 18.675 27 1HZ LYS 454 HZ1 LYS 454 6.569 11.280 17.608 28 2HZ LYS 454 HZ2 LYS 454 7.848 10.176 17.545 29 3HZ LYS 454 HZ3 LYS 454 7.462 10.939 19.004 30 H LYS 455 HN LYS 455 3.197 9.689 19.039 31 HA LYS 455 HA LYS 455 0.527 9.016 20.088 32 1HB LYS 455 HB2 LYS 455 1.352 11.076 18.219 33 2HB LYS 455 HB1 LYS 455 0.163 10.000 17.499 34 1HG LYS 455 HG2 LYS 455 -1.383 10.436 19.298 35 2HG LYS 455 HG1 LYS 455 -0.179 11.421 20.130 36 1HD LYS 455 HD2 LYS 455 -0.703 12.231 17.362 37 2HD LYS 455 HD1 LYS 455 -2.093 12.382 18.439 38 1HE LYS 455 HE2 LYS 455 0.623 13.455 19.154 39 2HE LYS 455 HE1 LYS 455 -0.553 14.401 18.240 40 1HZ LYS 455 HZ1 LYS 455 -2.053 13.594 20.279 41 2HZ LYS 455 HZ2 LYS 455 -1.175 15.040 20.290 42 3HZ LYS 455 HZ3 LYS 455 -0.548 13.665 21.049 43 H LEU 456 HN LEU 456 -0.764 7.600 18.766 44 HA LEU 456 HA LEU 456 0.847 5.874 17.004 45 1HB LEU 456 HB2 LEU 456 -0.956 5.220 19.254 46 2HB LEU 456 HB1 LEU 456 -1.038 4.172 17.851 47 HG LEU 456 HG LEU 456 0.494 3.185 19.359 48 1HD1 LEU 456 HD11 LEU 456 2.132 2.733 17.892 49 2HD1 LEU 456 HD12 LEU 456 2.536 4.434 17.660 50 3HD1 LEU 456 HD13 LEU 456 1.161 3.729 16.810 51 1HD2 LEU 456 HD21 LEU 456 2.379 4.322 20.336 52 2HD2 LEU 456 HD22 LEU 456 0.903 5.211 20.712 53 3HD2 LEU 456 HD23 LEU 456 1.987 5.796 19.451 54 H LEU 457 HN LEU 457 -0.141 7.636 15.511 55 HA LEU 457 HA LEU 457 -2.711 6.608 14.499 56 1HB LEU 457 HB2 LEU 457 -1.815 9.385 15.025 57 2HB LEU 457 HB1 LEU 457 -2.748 9.123 13.565 58 HG LEU 457 HG LEU 457 -4.249 9.795 15.303 59 1HD1 LEU 457 HD11 LEU 457 -4.626 7.608 13.776 60 2HD1 LEU 457 HD12 LEU 457 -5.846 8.274 14.861 61 3HD1 LEU 457 HD13 LEU 457 -4.850 6.916 15.382 62 1HD2 LEU 457 HD21 LEU 457 -2.761 9.133 17.185 63 2HD2 LEU 457 HD22 LEU 457 -3.267 7.462 16.937 64 3HD2 LEU 457 HD23 LEU 457 -4.450 8.679 17.413 65 HA PRO 458 HA PRO 458 0.297 6.136 11.074 66 1HB PRO 458 HB2 PRO 458 -0.780 3.887 10.053 67 2HB PRO 458 HB1 PRO 458 0.293 3.860 11.459 68 1HG PRO 458 HG2 PRO 458 -2.695 3.725 11.354 69 2HG PRO 458 HG1 PRO 458 -1.568 2.786 12.350 70 1HD PRO 458 HD2 PRO 458 -2.948 4.950 13.276 71 2HD PRO 458 HD1 PRO 458 -1.366 4.455 13.912 72 H ALA 459 HN ALA 459 -0.471 5.287 8.658 73 HA ALA 459 HA ALA 459 -2.903 6.773 7.948 74 1HB ALA 459 HB1 ALA 459 -0.170 7.154 6.747 75 2HB ALA 459 HB2 ALA 459 -1.207 8.361 7.508 76 3HB ALA 459 HB3 ALA 459 -1.652 7.675 5.945 77 H PHE 460 HN PHE 460 -0.460 5.423 5.780 78 HA PHE 460 HA PHE 460 -2.455 3.441 4.899 79 1HB PHE 460 HB2 PHE 460 -0.633 5.233 3.427 80 2HB PHE 460 HB1 PHE 460 -0.691 3.581 2.822 81 HD1 PHE 460 HD1 PHE 460 -3.287 2.670 2.860 82 HD2 PHE 460 HD2 PHE 460 -1.995 6.687 2.308 83 HE1 PHE 460 HE1 PHE 460 -5.382 3.174 1.673 84 HE2 PHE 460 HE2 PHE 460 -4.089 7.200 1.121 85 HZ PHE 460 HZ PHE 460 -5.785 5.444 0.802 86 H GLN 461 HN GLN 461 -0.634 3.081 7.079 87 HA GLN 461 HA GLN 461 1.663 1.641 6.395 88 1HB GLN 461 HB2 GLN 461 1.704 0.890 8.668 89 2HB GLN 461 HB1 GLN 461 1.125 2.550 8.661 90 1HG GLN 461 HG2 GLN 461 -0.456 1.750 10.025 91 2HG GLN 461 HG1 GLN 461 -1.216 1.208 8.529 92 1HE2 GLN 461 HE21 GLN 461 -1.546 -0.904 8.237 93 2HE2 GLN 461 HE22 GLN 461 -0.964 -2.156 9.275 94 H ASN 462 HN ASN 462 -1.649 0.755 6.147 95 HA ASN 462 HA ASN 462 -1.386 -2.033 6.518 96 1HB ASN 462 HB2 ASN 462 -3.389 -0.401 4.948 97 2HB ASN 462 HB1 ASN 462 -3.519 -2.144 5.172 98 1HD2 ASN 462 HD21 ASN 462 -3.694 0.968 6.700 99 2HD2 ASN 462 HD22 ASN 462 -4.455 0.436 8.157 100 H ALA 463 HN ALA 463 -1.328 -0.028 3.555 101 HA ALA 463 HA ALA 463 -0.762 -2.253 1.858 102 1HB ALA 463 HB1 ALA 463 -0.469 0.705 1.387 103 2HB ALA 463 HB2 ALA 463 -1.757 -0.362 0.819 104 3HB ALA 463 HB3 ALA 463 -0.121 -0.530 0.172 105 H GLU 464 HN GLU 464 1.167 0.122 3.578 106 HA GLU 464 HA GLU 464 3.637 -0.312 2.392 107 1HB GLU 464 HB2 GLU 464 2.712 0.636 5.048 108 2HB GLU 464 HB1 GLU 464 4.388 0.124 4.940 109 1HG GLU 464 HG2 GLU 464 3.073 2.221 3.230 110 2HG GLU 464 HG1 GLU 464 4.161 2.517 4.585 111 H ARG 465 HN ARG 465 2.196 -1.987 5.180 112 HA ARG 465 HA ARG 465 4.315 -3.834 5.502 113 1HB ARG 465 HB2 ARG 465 1.413 -4.054 6.325 114 2HB ARG 465 HB1 ARG 465 2.701 -5.105 6.887 115 1HG ARG 465 HG2 ARG 465 3.759 -3.300 8.046 116 2HG ARG 465 HG1 ARG 465 2.635 -2.133 7.345 117 1HD ARG 465 HD2 ARG 465 1.807 -2.499 9.497 118 2HD ARG 465 HD1 ARG 465 0.797 -3.518 8.472 119 HE ARG 465 HE ARG 465 1.642 -5.359 9.533 120 1HH1 ARG 465 HH11 ARG 465 3.704 -2.626 10.217 121 2HH1 ARG 465 HH12 ARG 465 4.660 -3.480 11.381 122 1HH2 ARG 465 HH21 ARG 465 2.898 -6.482 11.065 123 2HH2 ARG 465 HH22 ARG 465 4.203 -5.668 11.862 124 H LEU 466 HN LEU 466 1.099 -4.158 4.112 125 HA LEU 466 HA LEU 466 1.183 -6.758 3.214 126 1HB LEU 466 HB2 LEU 466 -0.480 -4.588 3.059 127 2HB LEU 466 HB1 LEU 466 -0.126 -4.921 1.380 128 HG LEU 466 HG LEU 466 -0.775 -7.395 2.616 129 1HD1 LEU 466 HD11 LEU 466 -1.913 -6.391 4.396 130 2HD1 LEU 466 HD12 LEU 466 -3.178 -6.748 3.219 131 3HD1 LEU 466 HD13 LEU 466 -2.558 -5.105 3.378 132 1HD2 LEU 466 HD21 LEU 466 -1.890 -5.611 0.512 133 2HD2 LEU 466 HD22 LEU 466 -2.880 -6.949 1.089 134 3HD2 LEU 466 HD23 LEU 466 -1.292 -7.265 0.388 135 H LEU 467 HN LEU 467 1.976 -3.847 1.291 136 HA LEU 467 HA LEU 467 2.738 -5.060 -1.063 137 1HB LEU 467 HB2 LEU 467 2.615 -2.678 -0.984 138 2HB LEU 467 HB1 LEU 467 3.762 -2.590 0.327 139 HG LEU 467 HG LEU 467 5.122 -3.794 -1.842 140 1HD1 LEU 467 HD11 LEU 467 4.607 -1.266 -3.052 141 2HD1 LEU 467 HD12 LEU 467 3.068 -2.098 -2.841 142 3HD1 LEU 467 HD13 LEU 467 4.379 -2.875 -3.733 143 1HD2 LEU 467 HD21 LEU 467 6.261 -2.518 -0.223 144 2HD2 LEU 467 HD22 LEU 467 5.231 -1.113 -0.496 145 3HD2 LEU 467 HD23 LEU 467 6.386 -1.610 -1.728 146 H LEU 468 HN LEU 468 4.784 -4.275 1.729 147 HA LEU 468 HA LEU 468 7.183 -5.320 0.924 148 1HB LEU 468 HB2 LEU 468 5.851 -4.854 3.518 149 2HB LEU 468 HB1 LEU 468 7.238 -5.926 3.537 150 HG LEU 468 HG LEU 468 8.581 -4.140 2.463 151 1HD1 LEU 468 HD11 LEU 468 6.223 -3.013 1.778 152 2HD1 LEU 468 HD12 LEU 468 7.775 -2.180 1.782 153 3HD1 LEU 468 HD13 LEU 468 6.692 -2.032 3.165 154 1HD2 LEU 468 HD21 LEU 468 7.898 -4.449 5.095 155 2HD2 LEU 468 HD22 LEU 468 7.609 -2.732 4.817 156 3HD2 LEU 468 HD23 LEU 468 9.197 -3.425 4.484 157 H ALA 469 HN ALA 469 4.383 -7.045 2.224 158 HA ALA 469 HA ALA 469 5.608 -9.544 2.624 159 1HB ALA 469 HB1 ALA 469 2.735 -9.182 1.793 160 2HB ALA 469 HB2 ALA 469 3.305 -8.791 3.413 161 3HB ALA 469 HB3 ALA 469 3.426 -10.444 2.813 162 H HIS 470 HN HIS 470 4.064 -8.088 -0.177 163 HA HIS 470 HA HIS 470 4.300 -10.417 -1.821 164 1HB HIS 470 HB2 HIS 470 3.672 -7.538 -2.492 165 2HB HIS 470 HB1 HIS 470 3.540 -8.882 -3.622 166 HD1 HIS 470 HD1 HIS 470 1.118 -9.346 -3.907 167 HD2 HIS 470 HD2 HIS 470 2.094 -8.578 0.050 168 HE1 HIS 470 HE1 HIS 470 -0.987 -9.738 -2.609 169 HE2 HIS 470 HE2 HIS 470 -0.411 -9.138 -0.234 170 H MET 471 HN MET 471 5.847 -7.215 -1.957 171 HA MET 471 HA MET 471 7.666 -7.801 -3.983 172 1HB MET 471 HB2 MET 471 9.043 -5.912 -2.785 173 2HB MET 471 HB1 MET 471 7.535 -5.552 -3.610 174 1HG MET 471 HG2 MET 471 6.394 -5.181 -1.673 175 2HG MET 471 HG1 MET 471 7.452 -6.213 -0.717 176 1HE MET 471 HE1 MET 471 10.357 -4.679 -1.962 177 2HE MET 471 HE2 MET 471 10.001 -5.621 -0.509 178 3HE MET 471 HE3 MET 471 10.620 -3.973 -0.364 179 H MET 472 HN MET 472 7.828 -8.477 -0.567 180 HA MET 472 HA MET 472 10.519 -8.870 -0.139 181 1HB MET 472 HB2 MET 472 8.043 -9.878 1.050 182 2HB MET 472 HB1 MET 472 9.428 -10.937 1.281 183 1HG MET 472 HG2 MET 472 10.694 -9.076 2.226 184 2HG MET 472 HG1 MET 472 9.303 -8.018 2.002 185 1HE MET 472 HE1 MET 472 8.193 -7.976 5.420 186 2HE MET 472 HE2 MET 472 7.192 -7.976 3.969 187 3HE MET 472 HE3 MET 472 8.761 -7.170 3.960 188 H ARG 473 HN ARG 473 8.542 -10.634 -2.297 189 HA ARG 473 HA ARG 473 10.694 -12.615 -2.603 190 1HB ARG 473 HB2 ARG 473 7.719 -13.102 -2.765 191 2HB ARG 473 HB1 ARG 473 8.935 -14.264 -3.276 192 1HG ARG 473 HG2 ARG 473 9.790 -14.422 -1.027 193 2HG ARG 473 HG1 ARG 473 8.676 -13.164 -0.486 194 1HD ARG 473 HD2 ARG 473 8.002 -15.556 0.006 195 2HD ARG 473 HD1 ARG 473 6.798 -14.552 -0.800 196 HE ARG 473 HE ARG 473 6.928 -15.920 -2.630 197 1HH1 ARG 473 HH11 ARG 473 9.665 -16.543 -0.558 198 2HH1 ARG 473 HH12 ARG 473 10.185 -17.932 -1.451 199 1HH2 ARG 473 HH21 ARG 473 7.610 -17.747 -3.808 200 2HH2 ARG 473 HH22 ARG 473 9.018 -18.616 -3.297 201 H SER 474 HN SER 474 7.702 -11.888 -4.340 202 HA SER 474 HA SER 474 8.601 -12.394 -6.889 203 1HB SER 474 HB2 SER 474 6.787 -10.249 -7.144 204 2HB SER 474 HB1 SER 474 6.438 -11.971 -7.265 205 HG SER 474 HG SER 474 5.834 -12.009 -5.168 206 H ARG 475 HN ARG 475 10.141 -11.534 -8.088 207 HA ARG 475 HA ARG 475 11.519 -9.184 -7.397 208 1HB ARG 475 HB2 ARG 475 12.839 -9.538 -9.341 209 2HB ARG 475 HB1 ARG 475 12.414 -11.133 -8.739 210 1HG ARG 475 HG2 ARG 475 10.395 -10.781 -10.457 211 2HG ARG 475 HG1 ARG 475 11.618 -9.775 -11.236 212 1HD ARG 475 HD2 ARG 475 13.061 -11.567 -11.565 213 2HD ARG 475 HD1 ARG 475 12.292 -12.542 -10.313 214 HE ARG 475 HE ARG 475 11.517 -12.335 -13.076 215 1HH1 ARG 475 HH11 ARG 475 10.439 -13.109 -9.848 216 2HH1 ARG 475 HH12 ARG 475 9.138 -14.116 -10.389 217 1HH2 ARG 475 HH21 ARG 475 9.806 -13.659 -13.790 218 2HH2 ARG 475 HH22 ARG 475 8.779 -14.429 -12.627 219 H ASP 476 HN ASP 476 8.851 -9.796 -9.572 220 HA ASP 476 HA ASP 476 8.945 -7.294 -10.909 221 1HB ASP 476 HB2 ASP 476 7.035 -9.567 -10.734 222 2HB ASP 476 HB1 ASP 476 6.385 -8.011 -11.246 223 H VAL 477 HN VAL 477 7.285 -8.533 -8.063 224 HA VAL 477 HA VAL 477 5.592 -6.343 -7.698 225 HB VAL 477 HB VAL 477 6.642 -8.252 -5.619 226 1HG1 VAL 477 HG11 VAL 477 4.260 -7.401 -4.674 227 2HG1 VAL 477 HG12 VAL 477 4.821 -5.935 -5.474 228 3HG1 VAL 477 HG13 VAL 477 5.803 -6.684 -4.218 229 1HG2 VAL 477 HG21 VAL 477 3.951 -8.240 -6.958 230 2HG2 VAL 477 HG22 VAL 477 4.671 -9.511 -5.974 231 3HG2 VAL 477 HG23 VAL 477 5.314 -9.165 -7.580 232 H ALA 478 HN ALA 478 8.760 -7.030 -6.141 233 HA ALA 478 HA ALA 478 8.764 -4.628 -4.686 234 1HB ALA 478 HB1 ALA 478 10.655 -5.357 -3.800 235 2HB ALA 478 HB2 ALA 478 11.442 -5.458 -5.370 236 3HB ALA 478 HB3 ALA 478 10.453 -6.800 -4.790 237 H LEU 479 HN LEU 479 9.692 -5.373 -7.981 238 HA LEU 479 HA LEU 479 11.085 -2.991 -8.543 239 1HB LEU 479 HB2 LEU 479 11.113 -3.759 -10.663 240 2HB LEU 479 HB1 LEU 479 10.390 -5.207 -9.991 241 HG LEU 479 HG LEU 479 8.136 -3.966 -10.466 242 1HD1 LEU 479 HD11 LEU 479 8.115 -2.233 -11.916 243 2HD1 LEU 479 HD12 LEU 479 9.549 -2.790 -12.778 244 3HD1 LEU 479 HD13 LEU 479 9.717 -1.951 -11.235 245 1HD2 LEU 479 HD21 LEU 479 9.831 -5.720 -12.014 246 2HD2 LEU 479 HD22 LEU 479 8.811 -4.733 -13.060 247 3HD2 LEU 479 HD23 LEU 479 8.079 -5.739 -11.810 248 H VAL 480 HN VAL 480 7.716 -3.827 -8.285 249 HA VAL 480 HA VAL 480 6.642 -1.381 -9.268 250 HB VAL 480 HB VAL 480 5.231 -3.268 -7.410 251 1HG1 VAL 480 HG11 VAL 480 3.984 -1.293 -7.768 252 2HG1 VAL 480 HG12 VAL 480 3.278 -2.511 -8.832 253 3HG1 VAL 480 HG13 VAL 480 4.356 -1.282 -9.492 254 1HG2 VAL 480 HG21 VAL 480 5.484 -4.888 -8.922 255 2HG2 VAL 480 HG22 VAL 480 6.243 -3.790 -10.071 256 3HG2 VAL 480 HG23 VAL 480 4.486 -3.925 -10.010 257 H VAL 481 HN VAL 481 7.669 -2.517 -6.126 258 HA VAL 481 HA VAL 481 6.365 -0.546 -4.626 259 HB VAL 481 HB VAL 481 7.607 -1.158 -2.782 260 1HG1 VAL 481 HG11 VAL 481 8.206 -3.746 -3.549 261 2HG1 VAL 481 HG12 VAL 481 6.909 -3.262 -4.633 262 3HG1 VAL 481 HG13 VAL 481 6.683 -3.170 -2.892 263 1HG2 VAL 481 HG21 VAL 481 9.813 -2.253 -2.850 264 2HG2 VAL 481 HG22 VAL 481 9.830 -0.637 -3.554 265 3HG2 VAL 481 HG23 VAL 481 9.833 -2.053 -4.597 266 H GLN 482 HN GLN 482 9.711 -0.619 -5.873 267 HA GLN 482 HA GLN 482 10.339 1.984 -4.964 268 1HB GLN 482 HB2 GLN 482 11.670 -0.130 -6.292 269 2HB GLN 482 HB1 GLN 482 11.895 1.315 -7.269 270 1HG GLN 482 HG2 GLN 482 12.289 1.792 -4.427 271 2HG GLN 482 HG1 GLN 482 13.390 0.584 -5.089 272 1HE2 GLN 482 HE21 GLN 482 11.977 3.532 -6.460 273 2HE2 GLN 482 HE22 GLN 482 13.484 4.277 -6.858 274 H GLU 483 HN GLU 483 9.369 0.820 -8.189 275 HA GLU 483 HA GLU 483 9.450 3.455 -9.293 276 1HB GLU 483 HB2 GLU 483 8.831 2.462 -11.365 277 2HB GLU 483 HB1 GLU 483 9.998 1.414 -10.574 278 1HG GLU 483 HG2 GLU 483 8.603 -0.263 -10.919 279 2HG GLU 483 HG1 GLU 483 7.519 0.470 -9.740 280 H ARG 484 HN ARG 484 6.712 1.348 -8.307 281 HA ARG 484 HA ARG 484 4.899 3.435 -9.245 282 1HB ARG 484 HB2 ARG 484 4.381 0.639 -8.253 283 2HB ARG 484 HB1 ARG 484 3.110 1.768 -8.703 284 1HG ARG 484 HG2 ARG 484 4.550 1.910 -10.926 285 2HG ARG 484 HG1 ARG 484 5.031 0.294 -10.405 286 1HD ARG 484 HD2 ARG 484 2.938 -0.570 -10.689 287 2HD ARG 484 HD1 ARG 484 2.140 0.964 -10.348 288 HE ARG 484 HE ARG 484 3.039 0.000 -12.911 289 1HH1 ARG 484 HH11 ARG 484 2.151 2.811 -11.040 290 2HH1 ARG 484 HH12 ARG 484 1.754 3.764 -12.431 291 1HH2 ARG 484 HH21 ARG 484 2.518 1.253 -14.739 292 2HH2 ARG 484 HH22 ARG 484 1.962 2.879 -14.530 293 H ILE 485 HN ILE 485 6.441 2.839 -6.356 294 HA ILE 485 HA ILE 485 4.356 4.340 -4.945 295 HB ILE 485 HB ILE 485 3.884 2.784 -3.447 296 1HG1 ILE 485 HG12 ILE 485 6.869 2.450 -3.133 297 2HG1 ILE 485 HG11 ILE 485 5.734 3.205 -2.023 298 1HG2 ILE 485 HG21 ILE 485 4.197 0.523 -4.036 299 2HG2 ILE 485 HG22 ILE 485 5.689 0.887 -4.897 300 3HG2 ILE 485 HG23 ILE 485 4.155 1.431 -5.546 301 1HD1 ILE 485 HD11 ILE 485 5.763 1.286 -0.917 302 2HD1 ILE 485 HD12 ILE 485 6.579 0.445 -2.240 303 3HD1 ILE 485 HD13 ILE 485 4.810 0.616 -2.247 304 H GLY 486 HN GLY 486 7.697 3.221 -4.953 305 1HA GLY 486 HA2 GLY 486 9.639 4.293 -4.332 306 2HA GLY 486 HA1 GLY 486 8.722 5.792 -4.334 307 H GLY 487 HN GLY 487 7.683 6.475 -2.407 308 1HA GLY 487 HA2 GLY 487 7.231 5.460 -0.036 309 2HA GLY 487 HA1 GLY 487 8.987 5.406 -0.009 310 H ARG 488 HN ARG 488 7.104 6.896 1.688 311 HA ARG 488 HA ARG 488 8.527 9.290 1.938 312 1HB ARG 488 HB2 ARG 488 6.550 9.392 -0.093 313 2HB ARG 488 HB1 ARG 488 5.954 10.352 1.252 314 1HG ARG 488 HG2 ARG 488 8.746 10.885 0.686 315 2HG ARG 488 HG1 ARG 488 7.709 11.174 -0.712 316 1HD ARG 488 HD2 ARG 488 7.294 12.318 2.048 317 2HD ARG 488 HD1 ARG 488 7.986 13.181 0.679 318 HE ARG 488 HE ARG 488 5.868 13.217 -0.348 319 1HH1 ARG 488 HH11 ARG 488 5.776 11.733 2.819 320 2HH1 ARG 488 HH12 ARG 488 4.060 11.893 2.974 321 1HH2 ARG 488 HH21 ARG 488 3.615 13.422 -0.133 322 2HH2 ARG 488 HH22 ARG 488 2.835 12.848 1.302 323 H PHE 489 HN PHE 489 7.550 7.209 3.600 324 HA PHE 489 HA PHE 489 5.664 8.682 5.321 325 1HB PHE 489 HB2 PHE 489 6.058 5.707 4.988 326 2HB PHE 489 HB1 PHE 489 5.089 6.423 6.271 327 HD1 PHE 489 HD1 PHE 489 3.219 8.065 5.478 328 HD2 PHE 489 HD2 PHE 489 5.046 5.122 3.007 329 HE1 PHE 489 HE1 PHE 489 1.271 8.124 3.975 330 HE2 PHE 489 HE2 PHE 489 3.101 5.175 1.499 331 HZ PHE 489 HZ PHE 489 1.211 6.677 1.983 332 H ASN 490 HN ASN 490 8.848 7.969 5.048 333 HA ASN 490 HA ASN 490 10.610 8.038 6.478 334 1HB ASN 490 HB2 ASN 490 8.441 9.374 7.958 335 2HB ASN 490 HB1 ASN 490 9.735 8.740 8.970 336 1HD2 ASN 490 HD21 ASN 490 9.065 10.790 6.189 337 2HD2 ASN 490 HD22 ASN 490 10.438 11.819 6.387 338 H ILE 491 HN ILE 491 10.135 5.596 6.067 339 HA ILE 491 HA ILE 491 10.037 4.293 8.705 340 HB ILE 491 HB ILE 491 9.067 2.883 6.244 341 1HG1 ILE 491 HG12 ILE 491 7.377 4.545 8.129 342 2HG1 ILE 491 HG11 ILE 491 7.714 4.928 6.443 343 1HG2 ILE 491 HG21 ILE 491 8.880 2.493 9.202 344 2HG2 ILE 491 HG22 ILE 491 9.407 1.363 7.956 345 3HG2 ILE 491 HG23 ILE 491 7.695 1.750 8.129 346 1HD1 ILE 491 HD11 ILE 491 6.587 2.275 6.788 347 2HD1 ILE 491 HD12 ILE 491 6.098 3.588 5.717 348 3HD1 ILE 491 HD13 ILE 491 5.537 3.558 7.388 349 H GLU 492 HN GLU 492 11.833 3.207 9.157 350 HA GLU 492 HA GLU 492 13.974 3.031 7.331 351 1HB GLU 492 HB2 GLU 492 13.477 1.973 10.085 352 2HB GLU 492 HB1 GLU 492 14.904 1.463 9.194 353 1HG GLU 492 HG2 GLU 492 15.217 4.047 8.853 354 2HG GLU 492 HG1 GLU 492 14.204 4.134 10.293 355 H GLU 493 HN GLU 493 11.851 0.461 8.647 356 HA GLU 493 HA GLU 493 13.149 -1.599 7.175 357 1HB GLU 493 HB2 GLU 493 11.931 -2.063 9.244 358 2HB GLU 493 HB1 GLU 493 10.432 -1.560 8.485 359 1HG GLU 493 HG2 GLU 493 11.984 -3.749 7.218 360 2HG GLU 493 HG1 GLU 493 11.088 -4.096 8.695 361 H HIS 494 HN HIS 494 9.994 -0.104 6.813 362 HA HIS 494 HA HIS 494 9.223 -1.427 4.480 363 1HB HIS 494 HB2 HIS 494 8.390 1.264 5.561 364 2HB HIS 494 HB1 HIS 494 7.611 0.478 4.193 365 HD1 HIS 494 HD1 HIS 494 5.836 -1.200 4.709 366 HD2 HIS 494 HD2 HIS 494 8.084 -0.196 8.049 367 HE1 HIS 494 HE1 HIS 494 4.678 -2.287 6.648 368 HE2 HIS 494 HE2 HIS 494 5.993 -1.580 8.675 369 H ARG 495 HN ARG 495 10.374 1.954 4.735 370 HA ARG 495 HA ARG 495 10.597 2.425 2.006 371 1HB ARG 495 HB2 ARG 495 10.880 4.052 4.006 372 2HB ARG 495 HB1 ARG 495 12.569 3.568 3.967 373 1HG ARG 495 HG2 ARG 495 12.858 4.433 1.777 374 2HG ARG 495 HG1 ARG 495 11.122 4.675 1.578 375 1HD ARG 495 HD2 ARG 495 11.347 6.738 2.367 376 2HD ARG 495 HD1 ARG 495 11.876 6.069 3.909 377 HE ARG 495 HE ARG 495 13.978 6.786 3.415 378 1HH1 ARG 495 HH11 ARG 495 12.220 6.443 0.419 379 2HH1 ARG 495 HH12 ARG 495 13.507 7.072 -0.554 380 1HH2 ARG 495 HH21 ARG 495 15.673 7.613 2.136 381 2HH2 ARG 495 HH22 ARG 495 15.468 7.735 0.420 382 H ALA 496 HN ALA 496 13.070 1.259 4.286 383 HA ALA 496 HA ALA 496 15.028 0.902 2.285 384 1HB ALA 496 HB1 ALA 496 15.469 1.064 4.756 385 2HB ALA 496 HB2 ALA 496 16.349 -0.195 3.884 386 3HB ALA 496 HB3 ALA 496 14.945 -0.616 4.869 387 H LEU 497 HN LEU 497 12.277 -1.019 3.260 388 HA LEU 497 HA LEU 497 13.153 -3.526 2.349 389 1HB LEU 497 HB2 LEU 497 10.799 -2.666 3.385 390 2HB LEU 497 HB1 LEU 497 10.362 -2.845 1.697 391 HG LEU 497 HG LEU 497 9.845 -4.949 2.404 392 1HD1 LEU 497 HD11 LEU 497 12.770 -5.516 2.220 393 2HD1 LEU 497 HD12 LEU 497 11.845 -5.019 0.804 394 3HD1 LEU 497 HD13 LEU 497 11.408 -6.492 1.671 395 1HD2 LEU 497 HD21 LEU 497 11.261 -4.156 4.705 396 2HD2 LEU 497 HD22 LEU 497 11.901 -5.726 4.218 397 3HD2 LEU 497 HD23 LEU 497 10.173 -5.529 4.511 398 H ALA 498 HN ALA 498 11.661 -0.819 0.722 399 HA ALA 498 HA ALA 498 11.613 -1.880 -1.879 400 1HB ALA 498 HB1 ALA 498 11.699 0.895 -0.759 401 2HB ALA 498 HB2 ALA 498 10.399 0.077 -1.626 402 3HB ALA 498 HB3 ALA 498 11.832 0.623 -2.497 403 H ALA 499 HN ALA 499 14.049 -0.345 0.128 404 HA ALA 499 HA ALA 499 16.041 -0.001 -1.870 405 1HB ALA 499 HB1 ALA 499 17.297 0.950 -0.257 406 2HB ALA 499 HB2 ALA 499 16.860 -0.258 0.953 407 3HB ALA 499 HB3 ALA 499 15.729 1.037 0.546 408 H TYR 500 HN TYR 500 16.097 -2.379 0.947 409 HA TYR 500 HA TYR 500 18.376 -3.633 0.090 410 1HB TYR 500 HB2 TYR 500 16.510 -5.674 0.992 411 2HB TYR 500 HB1 TYR 500 18.047 -5.175 1.677 412 HD1 TYR 500 HD1 TYR 500 17.909 -2.804 2.917 413 HD2 TYR 500 HD2 TYR 500 14.673 -5.472 2.273 414 HE1 TYR 500 HE1 TYR 500 16.724 -1.819 4.821 415 HE2 TYR 500 HE2 TYR 500 13.466 -4.486 4.165 416 HH TYR 500 HH TYR 500 13.392 -2.569 5.485 417 H ILE 501 HN ILE 501 15.042 -4.563 -0.736 418 HA ILE 501 HA ILE 501 15.538 -6.663 -2.441 419 HB ILE 501 HB ILE 501 13.432 -6.097 -3.600 420 1HG1 ILE 501 HG12 ILE 501 12.251 -4.053 -2.326 421 2HG1 ILE 501 HG11 ILE 501 13.920 -3.500 -2.244 422 1HG2 ILE 501 HG21 ILE 501 13.564 -7.216 -1.323 423 2HG2 ILE 501 HG22 ILE 501 12.013 -6.507 -1.772 424 3HG2 ILE 501 HG23 ILE 501 13.078 -5.661 -0.650 425 1HD1 ILE 501 HD11 ILE 501 12.218 -3.033 -4.304 426 2HD1 ILE 501 HD12 ILE 501 13.099 -4.447 -4.884 427 3HD1 ILE 501 HD13 ILE 501 13.977 -2.990 -4.418 428 H TYR 502 HN TYR 502 15.853 -3.221 -3.025 429 HA TYR 502 HA TYR 502 16.128 -3.268 -5.815 430 1HB TYR 502 HB2 TYR 502 16.187 -1.305 -3.907 431 2HB TYR 502 HB1 TYR 502 17.877 -1.363 -4.400 432 HD1 TYR 502 HD1 TYR 502 18.571 -0.290 -6.360 433 HD2 TYR 502 HD2 TYR 502 14.427 -1.027 -5.749 434 HE1 TYR 502 HE1 TYR 502 18.044 1.070 -8.340 435 HE2 TYR 502 HE2 TYR 502 13.888 0.330 -7.727 436 HH TYR 502 HH TYR 502 14.846 2.061 -9.089 437 H ALA 503 HN ALA 503 18.435 -3.789 -3.196 438 HA ALA 503 HA ALA 503 20.710 -4.065 -4.912 439 1HB ALA 503 HB1 ALA 503 20.150 -4.521 -2.027 440 2HB ALA 503 HB2 ALA 503 21.403 -3.547 -2.795 441 3HB ALA 503 HB3 ALA 503 21.565 -5.302 -2.733 442 H PHE 504 HN PHE 504 18.546 -6.351 -3.238 443 HA PHE 504 HA PHE 504 19.760 -8.721 -4.091 444 1HB PHE 504 HB2 PHE 504 17.203 -7.938 -2.910 445 2HB PHE 504 HB1 PHE 504 17.041 -9.292 -4.022 446 HD1 PHE 504 HD1 PHE 504 19.445 -8.213 -1.387 447 HD2 PHE 504 HD2 PHE 504 17.107 -11.349 -3.045 448 HE1 PHE 504 HE1 PHE 504 20.254 -9.734 0.357 449 HE2 PHE 504 HE2 PHE 504 17.900 -12.884 -1.312 450 HZ PHE 504 HZ PHE 504 19.486 -12.079 0.406 451 H TYR 505 HN TYR 505 17.781 -6.420 -5.752 452 HA TYR 505 HA TYR 505 17.009 -8.117 -7.908 453 1HB TYR 505 HB2 TYR 505 16.883 -5.175 -7.367 454 2HB TYR 505 HB1 TYR 505 16.595 -5.764 -9.001 455 HD1 TYR 505 HD1 TYR 505 15.495 -8.351 -7.032 456 HD2 TYR 505 HD2 TYR 505 14.402 -4.370 -8.053 457 HE1 TYR 505 HE1 TYR 505 13.173 -8.868 -6.477 458 HE2 TYR 505 HE2 TYR 505 12.057 -4.869 -7.476 459 HH TYR 505 HH TYR 505 10.591 -6.754 -7.252 460 H GLU 506 HN GLU 506 19.618 -5.812 -7.374 461 HA GLU 506 HA GLU 506 20.668 -6.005 -10.016 462 1HB GLU 506 HB2 GLU 506 21.886 -5.124 -7.394 463 2HB GLU 506 HB1 GLU 506 22.773 -5.098 -8.911 464 1HG GLU 506 HG2 GLU 506 21.825 -3.195 -9.539 465 2HG GLU 506 HG1 GLU 506 20.209 -3.786 -9.158 466 H GLU 507 HN GLU 507 20.649 -8.038 -7.291 467 HA GLU 507 HA GLU 507 23.021 -9.534 -8.077 468 1HB GLU 507 HB2 GLU 507 21.101 -9.764 -5.771 469 2HB GLU 507 HB1 GLU 507 22.393 -10.921 -6.057 470 1HG GLU 507 HG2 GLU 507 24.028 -9.072 -5.898 471 2HG GLU 507 HG1 GLU 507 22.704 -7.982 -5.493 472 H GLY 508 HN GLY 508 19.895 -10.803 -6.941 473 1HA GLY 508 HA2 GLY 508 19.847 -12.531 -9.336 474 2HA GLY 508 HA1 GLY 508 19.566 -13.175 -7.729 475 H HIS 509 HN HIS 509 18.249 -10.059 -8.529 476 HA HIS 509 HA HIS 509 16.149 -9.334 -9.006 477 1HB HIS 509 HB2 HIS 509 15.377 -12.188 -9.596 478 2HB HIS 509 HB1 HIS 509 14.613 -10.716 -10.186 479 HD1 HIS 509 HD1 HIS 509 14.995 -11.750 -12.602 480 HD2 HIS 509 HD2 HIS 509 18.459 -10.707 -10.540 481 HE1 HIS 509 HE1 HIS 509 16.816 -11.686 -14.332 482 HE2 HIS 509 HE2 HIS 509 18.882 -10.976 -13.079 483 H GLU 510 HN GLU 510 17.042 -10.734 -6.399 484 HA GLU 510 HA GLU 510 16.188 -11.204 -4.350 485 1HB GLU 510 HB2 GLU 510 15.262 -8.812 -5.047 486 2HB GLU 510 HB1 GLU 510 13.723 -9.653 -4.930 487 1HG GLU 510 HG2 GLU 510 15.515 -10.106 -2.666 488 2HG GLU 510 HG1 GLU 510 14.998 -8.435 -2.870 489 H ALA 511 HN ALA 511 14.313 -12.033 -3.083 490 HA ALA 511 HA ALA 511 11.984 -13.065 -3.895 491 1HB ALA 511 HB1 ALA 511 12.888 -15.563 -4.330 492 2HB ALA 511 HB2 ALA 511 14.171 -14.618 -5.090 493 3HB ALA 511 HB3 ALA 511 12.493 -14.415 -5.611 494 H ASP 512 HN ASP 512 14.479 -15.332 -2.833 495 HA ASP 512 HA ASP 512 13.194 -16.389 -0.682 496 1HB ASP 512 HB2 ASP 512 15.522 -16.784 0.287 497 2HB ASP 512 HB1 ASP 512 15.234 -17.388 -1.341 498 HA PRO 513 HA PRO 513 12.743 -12.571 1.769 499 1HB PRO 513 HB2 PRO 513 11.306 -14.526 3.488 500 2HB PRO 513 HB1 PRO 513 10.790 -12.935 2.919 501 1HG PRO 513 HG2 PRO 513 9.764 -15.146 1.857 502 2HG PRO 513 HG1 PRO 513 10.143 -13.740 0.844 503 1HD PRO 513 HD2 PRO 513 11.657 -16.299 1.177 504 2HD PRO 513 HD1 PRO 513 11.367 -15.346 -0.292 505 H GLY 514 HN GLY 514 13.524 -15.795 3.006 506 1HA GLY 514 HA2 GLY 514 14.543 -15.068 5.490 507 2HA GLY 514 HA1 GLY 514 15.052 -16.482 4.580 508 H ALA 515 HN ALA 515 15.900 -14.584 2.345 509 HA ALA 515 HA ALA 515 18.603 -14.261 3.289 510 1HB ALA 515 HB1 ALA 515 17.642 -13.256 0.643 511 2HB ALA 515 HB2 ALA 515 17.794 -14.988 0.936 512 3HB ALA 515 HB3 ALA 515 19.207 -13.942 1.080 513 H LEU 516 HN LEU 516 16.172 -12.030 1.900 514 HA LEU 516 HA LEU 516 17.708 -9.739 2.680 515 1HB LEU 516 HB2 LEU 516 16.404 -8.581 1.292 516 2HB LEU 516 HB1 LEU 516 15.873 -10.156 0.746 517 HG LEU 516 HG LEU 516 13.983 -9.923 2.462 518 1HD1 LEU 516 HD11 LEU 516 13.547 -7.269 2.542 519 2HD1 LEU 516 HD12 LEU 516 15.305 -7.297 2.665 520 3HD1 LEU 516 HD13 LEU 516 14.324 -8.167 3.845 521 1HD2 LEU 516 HD21 LEU 516 12.971 -8.060 0.780 522 2HD2 LEU 516 HD22 LEU 516 13.112 -9.773 0.387 523 3HD2 LEU 516 HD23 LEU 516 14.347 -8.638 -0.164 524 H ILE 517 HN ILE 517 14.714 -11.262 3.878 525 HA ILE 517 HA ILE 517 14.099 -9.377 5.852 526 HB ILE 517 HB ILE 517 13.689 -12.359 6.182 527 1HG1 ILE 517 HG12 ILE 517 12.394 -12.196 4.316 528 2HG1 ILE 517 HG11 ILE 517 11.246 -11.470 5.417 529 1HG2 ILE 517 HG21 ILE 517 13.332 -10.514 8.063 530 2HG2 ILE 517 HG22 ILE 517 12.266 -11.907 7.897 531 3HG2 ILE 517 HG23 ILE 517 11.776 -10.344 7.240 532 1HD1 ILE 517 HD11 ILE 517 13.155 -9.664 4.059 533 2HD1 ILE 517 HD12 ILE 517 11.481 -9.408 4.516 534 3HD1 ILE 517 HD13 ILE 517 11.869 -10.384 3.097 535 H SER 518 HN SER 518 16.554 -11.819 5.670 536 HA SER 518 HA SER 518 17.258 -11.639 8.466 537 1HB SER 518 HB2 SER 518 19.062 -13.190 7.907 538 2HB SER 518 HB1 SER 518 17.538 -13.760 7.231 539 HG SER 518 HG SER 518 19.679 -12.491 5.883 540 H ARG 519 HN ARG 519 17.380 -9.216 6.621 541 HA ARG 519 HA ARG 519 20.177 -8.486 7.175 542 1HB ARG 519 HB2 ARG 519 18.959 -8.511 4.678 543 2HB ARG 519 HB1 ARG 519 18.771 -6.841 5.190 544 1HG ARG 519 HG2 ARG 519 20.819 -6.497 4.413 545 2HG ARG 519 HG1 ARG 519 21.403 -7.417 5.801 546 1HD ARG 519 HD2 ARG 519 22.101 -9.072 4.491 547 2HD ARG 519 HD1 ARG 519 20.526 -9.190 3.707 548 HE ARG 519 HE ARG 519 21.425 -8.116 1.917 549 1HH1 ARG 519 HH11 ARG 519 23.324 -7.303 4.729 550 2HH1 ARG 519 HH12 ARG 519 24.484 -6.380 3.834 551 1HH2 ARG 519 HH21 ARG 519 22.951 -6.901 0.737 552 2HH2 ARG 519 HH22 ARG 519 24.272 -6.151 1.567 553 H ILE 520 HN ILE 520 16.896 -7.357 6.652 554 HA ILE 520 HA ILE 520 16.891 -4.904 7.872 555 HB ILE 520 HB ILE 520 14.499 -5.783 8.744 556 1HG1 ILE 520 HG12 ILE 520 14.385 -7.476 6.402 557 2HG1 ILE 520 HG11 ILE 520 15.548 -8.080 7.573 558 1HG2 ILE 520 HG21 ILE 520 15.417 -4.542 6.338 559 2HG2 ILE 520 HG22 ILE 520 13.884 -4.312 7.186 560 3HG2 ILE 520 HG23 ILE 520 14.049 -5.587 5.980 561 1HD1 ILE 520 HD11 ILE 520 12.854 -8.510 7.593 562 2HD1 ILE 520 HD12 ILE 520 13.089 -7.264 8.820 563 3HD1 ILE 520 HD13 ILE 520 13.968 -8.784 8.928 564 HA PRO 521 HA PRO 521 18.104 -6.559 11.953 565 1HB PRO 521 HB2 PRO 521 19.387 -4.073 12.533 566 2HB PRO 521 HB1 PRO 521 20.139 -5.610 12.104 567 1HG PRO 521 HG2 PRO 521 20.174 -3.339 10.526 568 2HG PRO 521 HG1 PRO 521 20.439 -4.989 9.937 569 1HD PRO 521 HD2 PRO 521 17.967 -3.305 9.832 570 2HD PRO 521 HD1 PRO 521 18.621 -4.434 8.622 571 H GLY 522 HN GLY 522 18.129 -5.503 14.204 572 1HA GLY 522 HA2 GLY 522 16.710 -4.874 15.916 573 2HA GLY 522 HA1 GLY 522 16.850 -3.326 15.103 574 H GLU 523 HN GLU 523 14.992 -2.380 14.793 575 HA GLU 523 HA GLU 523 12.488 -3.704 15.049 576 1HB GLU 523 HB2 GLU 523 13.229 -1.180 15.436 577 2HB GLU 523 HB1 GLU 523 12.659 -1.012 13.782 578 1HG GLU 523 HG2 GLU 523 10.510 -2.103 14.566 579 2HG GLU 523 HG1 GLU 523 11.107 -1.857 16.206 580 H LEU 524 HN LEU 524 14.600 -3.362 12.439 581 HA LEU 524 HA LEU 524 12.719 -3.226 10.325 582 1HB LEU 524 HB2 LEU 524 15.519 -3.135 10.636 583 2HB LEU 524 HB1 LEU 524 15.201 -4.499 9.601 584 HG LEU 524 HG LEU 524 13.836 -2.915 8.161 585 1HD1 LEU 524 HD11 LEU 524 13.405 -1.100 9.527 586 2HD1 LEU 524 HD12 LEU 524 14.684 -0.510 8.464 587 3HD1 LEU 524 HD13 LEU 524 15.067 -1.017 10.108 588 1HD2 LEU 524 HD21 LEU 524 15.706 -2.328 6.877 589 2HD2 LEU 524 HD22 LEU 524 16.290 -3.697 7.818 590 3HD2 LEU 524 HD23 LEU 524 16.708 -2.060 8.303 591 H GLN 525 HN GLN 525 14.132 -5.738 12.273 592 HA GLN 525 HA GLN 525 13.473 -7.936 10.635 593 1HB GLN 525 HB2 GLN 525 13.570 -8.207 13.607 594 2HB GLN 525 HB1 GLN 525 14.140 -9.313 12.370 595 1HG GLN 525 HG2 GLN 525 15.665 -7.015 12.043 596 2HG GLN 525 HG1 GLN 525 15.555 -7.250 13.783 597 1HE2 GLN 525 HE21 GLN 525 16.521 -8.721 10.755 598 2HE2 GLN 525 HE22 GLN 525 17.611 -9.873 11.440 599 HA PRO 526 HA PRO 526 9.595 -8.419 13.553 600 1HB PRO 526 HB2 PRO 526 8.756 -5.995 14.604 601 2HB PRO 526 HB1 PRO 526 9.627 -7.248 15.492 602 1HG PRO 526 HG2 PRO 526 10.660 -4.756 14.225 603 2HG PRO 526 HG1 PRO 526 11.141 -5.527 15.746 604 1HD PRO 526 HD2 PRO 526 12.634 -5.733 13.529 605 2HD PRO 526 HD1 PRO 526 12.495 -7.071 14.683 606 H LEU 527 HN LEU 527 10.053 -5.273 11.874 607 HA LEU 527 HA LEU 527 7.340 -5.135 11.042 608 1HB LEU 527 HB2 LEU 527 9.800 -3.643 10.566 609 2HB LEU 527 HB1 LEU 527 8.743 -3.686 9.167 610 HG LEU 527 HG LEU 527 6.939 -2.692 10.410 611 1HD1 LEU 527 HD11 LEU 527 8.267 -3.747 12.651 612 2HD1 LEU 527 HD12 LEU 527 6.741 -2.866 12.609 613 3HD1 LEU 527 HD13 LEU 527 8.255 -1.996 12.853 614 1HD2 LEU 527 HD21 LEU 527 9.415 -1.141 11.115 615 2HD2 LEU 527 HD22 LEU 527 7.810 -0.522 10.723 616 3HD2 LEU 527 HD23 LEU 527 8.798 -1.268 9.468 617 H ALA 528 HN ALA 528 10.263 -5.999 9.180 618 HA ALA 528 HA ALA 528 8.774 -6.835 6.908 619 1HB ALA 528 HB1 ALA 528 10.809 -6.421 6.110 620 2HB ALA 528 HB2 ALA 528 11.213 -8.046 6.642 621 3HB ALA 528 HB3 ALA 528 11.571 -6.663 7.678 622 H SER 529 HN SER 529 10.302 -8.607 9.585 623 HA SER 529 HA SER 529 9.968 -11.194 8.635 624 1HB SER 529 HB2 SER 529 11.234 -10.606 10.689 625 2HB SER 529 HB1 SER 529 9.706 -10.304 11.518 626 HG SER 529 HG SER 529 10.448 -12.776 10.333 627 H GLU 530 HN GLU 530 7.690 -9.187 10.477 628 HA GLU 530 HA GLU 530 5.662 -11.184 10.583 629 1HB GLU 530 HB2 GLU 530 5.823 -8.266 11.183 630 2HB GLU 530 HB1 GLU 530 4.230 -8.981 10.975 631 1HG GLU 530 HG2 GLU 530 4.742 -8.994 13.294 632 2HG GLU 530 HG1 GLU 530 4.828 -10.657 12.714 633 H LEU 531 HN LEU 531 6.550 -8.687 8.309 634 HA LEU 531 HA LEU 531 4.098 -8.835 6.805 635 1HB LEU 531 HB2 LEU 531 6.717 -7.460 6.442 636 2HB LEU 531 HB1 LEU 531 5.638 -7.616 5.070 637 HG LEU 531 HG LEU 531 4.113 -6.111 5.904 638 1HD1 LEU 531 HD11 LEU 531 3.457 -7.198 7.892 639 2HD1 LEU 531 HD12 LEU 531 4.013 -5.603 8.401 640 3HD1 LEU 531 HD13 LEU 531 5.051 -7.013 8.624 641 1HD2 LEU 531 HD21 LEU 531 6.818 -5.447 7.040 642 2HD2 LEU 531 HD22 LEU 531 5.448 -4.350 7.229 643 3HD2 LEU 531 HD23 LEU 531 6.020 -4.783 5.617 644 H SER 532 HN SER 532 6.915 -10.732 6.943 645 HA SER 532 HA SER 532 7.450 -11.476 4.408 646 1HB SER 532 HB2 SER 532 7.472 -12.989 6.978 647 2HB SER 532 HB1 SER 532 7.761 -13.874 5.480 648 HG SER 532 HG SER 532 9.459 -12.392 5.041 649 H LEU 533 HN LEU 533 4.509 -12.167 6.104 650 HA LEU 533 HA LEU 533 3.364 -13.195 3.674 651 1HB LEU 533 HB2 LEU 533 4.418 -15.103 5.297 652 2HB LEU 533 HB1 LEU 533 2.784 -15.007 5.924 653 HG LEU 533 HG LEU 533 2.789 -16.742 4.307 654 1HD1 LEU 533 HD11 LEU 533 0.801 -16.003 3.644 655 2HD1 LEU 533 HD12 LEU 533 1.607 -15.183 2.308 656 3HD1 LEU 533 HD13 LEU 533 1.301 -14.323 3.813 657 1HD2 LEU 533 HD21 LEU 533 4.709 -16.506 3.053 658 2HD2 LEU 533 HD22 LEU 533 4.383 -14.813 2.678 659 3HD2 LEU 533 HD23 LEU 533 3.456 -16.087 1.885 660 H LEU 534 HN LEU 534 2.669 -10.884 4.674 661 HA LEU 534 HA LEU 534 0.767 -10.811 6.703 662 1HB LEU 534 HB2 LEU 534 1.694 -9.048 4.604 663 2HB LEU 534 HB1 LEU 534 -0.033 -8.885 4.854 664 HG LEU 534 HG LEU 534 2.143 -8.483 6.901 665 1HD1 LEU 534 HD11 LEU 534 0.310 -6.699 5.368 666 2HD1 LEU 534 HD12 LEU 534 2.033 -6.529 5.703 667 3HD1 LEU 534 HD13 LEU 534 0.853 -6.224 6.977 668 1HD2 LEU 534 HD21 LEU 534 0.448 -9.485 8.146 669 2HD2 LEU 534 HD22 LEU 534 -0.830 -8.718 7.203 670 3HD2 LEU 534 HD23 LEU 534 0.134 -7.758 8.326 671 H LEU 535 HN LEU 535 0.456 -11.374 3.258 672 HA LEU 535 HA LEU 535 -1.695 -13.109 3.524 673 1HB LEU 535 HB2 LEU 535 -3.387 -11.655 2.253 674 2HB LEU 535 HB1 LEU 535 -3.216 -11.423 3.980 675 HG LEU 535 HG LEU 535 -1.480 -9.675 2.395 676 1HD1 LEU 535 HD11 LEU 535 -3.831 -8.286 2.159 677 2HD1 LEU 535 HD12 LEU 535 -4.303 -9.919 1.699 678 3HD1 LEU 535 HD13 LEU 535 -2.989 -9.109 0.847 679 1HD2 LEU 535 HD21 LEU 535 -2.500 -9.747 4.946 680 2HD2 LEU 535 HD22 LEU 535 -3.469 -8.495 4.171 681 3HD2 LEU 535 HD23 LEU 535 -1.712 -8.365 4.189 682 H ILE 536 HN ILE 536 0.645 -13.294 2.277 683 HA ILE 536 HA ILE 536 0.041 -13.042 -0.585 684 HB ILE 536 HB ILE 536 2.362 -13.016 -1.051 685 1HG1 ILE 536 HG12 ILE 536 2.809 -13.754 1.850 686 2HG1 ILE 536 HG11 ILE 536 3.106 -14.784 0.451 687 1HG2 ILE 536 HG21 ILE 536 2.303 -11.408 1.472 688 2HG2 ILE 536 HG22 ILE 536 1.264 -10.991 0.109 689 3HG2 ILE 536 HG23 ILE 536 3.017 -11.013 -0.098 690 1HD1 ILE 536 HD11 ILE 536 5.216 -14.048 0.931 691 2HD1 ILE 536 HD12 ILE 536 4.659 -12.461 1.466 692 3HD1 ILE 536 HD13 ILE 536 4.705 -12.847 -0.254 693 H ALA 537 HN ALA 537 1.799 -14.855 -1.611 694 HA ALA 537 HA ALA 537 1.482 -17.412 -0.320 695 1HB ALA 537 HB1 ALA 537 0.386 -18.051 -2.755 696 2HB ALA 537 HB2 ALA 537 -0.379 -16.510 -2.369 697 3HB ALA 537 HB3 ALA 537 -0.501 -17.861 -1.242 698 H ASP 538 HN ASP 538 2.011 -19.123 -2.331 699 HA ASP 538 HA ASP 538 4.739 -18.818 -2.798 700 1HB ASP 538 HB2 ASP 538 2.628 -20.549 -4.059 701 2HB ASP 538 HB1 ASP 538 4.288 -20.583 -4.648 702 H ASP 539 HN ASP 539 2.060 -17.421 -4.428 703 HA ASP 539 HA ASP 539 3.871 -16.378 -6.495 704 1HB ASP 539 HB2 ASP 539 2.091 -18.150 -7.202 705 2HB ASP 539 HB1 ASP 539 0.961 -16.809 -7.053 706 H VAL 540 HN VAL 540 2.363 -15.474 -3.824 707 HA VAL 540 HA VAL 540 1.875 -13.422 -2.986 708 HB VAL 540 HB VAL 540 3.320 -12.717 -5.171 709 1HG1 VAL 540 HG11 VAL 540 2.266 -11.418 -6.696 710 2HG1 VAL 540 HG12 VAL 540 1.040 -10.870 -5.555 711 3HG1 VAL 540 HG13 VAL 540 0.906 -12.466 -6.295 712 1HG2 VAL 540 HG21 VAL 540 2.679 -10.276 -4.228 713 2HG2 VAL 540 HG22 VAL 540 3.790 -11.387 -3.431 714 3HG2 VAL 540 HG23 VAL 540 2.109 -11.293 -2.906 715 H SER 541 HN SER 541 0.239 -11.430 -3.828 716 HA SER 541 HA SER 541 -2.231 -12.724 -4.717 717 1HB SER 541 HB2 SER 541 -1.803 -12.109 -2.077 718 2HB SER 541 HB1 SER 541 -2.559 -10.622 -2.661 719 HG SER 541 HG SER 541 -4.357 -11.677 -2.474 720 H GLU 542 HN GLU 542 -1.978 -11.825 -6.707 721 HA GLU 542 HA GLU 542 -1.114 -9.358 -7.438 722 1HB GLU 542 HB2 GLU 542 -2.027 -9.770 -9.543 723 2HB GLU 542 HB1 GLU 542 -1.729 -11.359 -8.853 724 1HG GLU 542 HG2 GLU 542 -4.099 -11.539 -8.260 725 2HG GLU 542 HG1 GLU 542 -4.392 -9.957 -8.982 726 H GLN 543 HN GLN 543 -4.549 -10.142 -6.741 727 HA GLN 543 HA GLN 543 -5.643 -7.676 -7.368 728 1HB GLN 543 HB2 GLN 543 -6.385 -9.586 -5.145 729 2HB GLN 543 HB1 GLN 543 -7.362 -8.196 -5.598 730 1HG GLN 543 HG2 GLN 543 -8.400 -9.500 -7.049 731 2HG GLN 543 HG1 GLN 543 -6.906 -9.548 -7.984 732 1HE2 GLN 543 HE21 GLN 543 -6.109 -11.478 -8.387 733 2HE2 GLN 543 HE22 GLN 543 -6.431 -12.921 -7.495 734 H GLU 544 HN GLU 544 -3.982 -8.734 -4.483 735 HA GLU 544 HA GLU 544 -4.349 -6.332 -3.006 736 1HB GLU 544 HB2 GLU 544 -2.261 -8.490 -2.686 737 2HB GLU 544 HB1 GLU 544 -2.628 -7.242 -1.508 738 1HG GLU 544 HG2 GLU 544 -4.670 -9.226 -2.460 739 2HG GLU 544 HG1 GLU 544 -3.610 -9.527 -1.083 740 H LEU 545 HN LEU 545 -1.949 -7.514 -5.291 741 HA LEU 545 HA LEU 545 0.154 -5.787 -4.825 742 1HB LEU 545 HB2 LEU 545 -0.619 -7.590 -6.824 743 2HB LEU 545 HB1 LEU 545 -0.303 -6.081 -7.655 744 HG LEU 545 HG LEU 545 1.917 -6.206 -6.158 745 1HD1 LEU 545 HD11 LEU 545 2.048 -9.000 -6.850 746 2HD1 LEU 545 HD12 LEU 545 0.752 -8.701 -5.692 747 3HD1 LEU 545 HD13 LEU 545 2.402 -8.206 -5.315 748 1HD2 LEU 545 HD21 LEU 545 2.545 -5.997 -8.289 749 2HD2 LEU 545 HD22 LEU 545 1.176 -6.942 -8.875 750 3HD2 LEU 545 HD23 LEU 545 2.634 -7.758 -8.313 751 H GLU 546 HN GLU 546 -2.576 -5.287 -7.012 752 HA GLU 546 HA GLU 546 -1.836 -2.585 -7.579 753 1HB GLU 546 HB2 GLU 546 -4.302 -2.558 -8.461 754 2HB GLU 546 HB1 GLU 546 -3.068 -3.468 -9.317 755 1HG GLU 546 HG2 GLU 546 -4.543 -4.935 -7.234 756 2HG GLU 546 HG1 GLU 546 -5.467 -4.464 -8.657 757 H ASP 547 HN ASP 547 -3.683 -4.180 -5.124 758 HA ASP 547 HA ASP 547 -5.247 -1.899 -4.379 759 1HB ASP 547 HB2 ASP 547 -5.170 -4.656 -3.731 760 2HB ASP 547 HB1 ASP 547 -5.053 -3.757 -2.223 761 H TYR 548 HN TYR 548 -2.368 -3.422 -2.929 762 HA TYR 548 HA TYR 548 -2.323 -1.433 -0.877 763 1HB TYR 548 HB2 TYR 548 -0.202 -2.494 -0.159 764 2HB TYR 548 HB1 TYR 548 -1.553 -3.610 -0.282 765 HD1 TYR 548 HD1 TYR 548 1.245 -2.339 -2.373 766 HD2 TYR 548 HD2 TYR 548 -1.138 -5.672 -1.257 767 HE1 TYR 548 HE1 TYR 548 2.617 -3.796 -3.767 768 HE2 TYR 548 HE2 TYR 548 0.219 -7.117 -2.655 769 HH TYR 548 HH TYR 548 2.956 -5.858 -4.529 770 H ILE 549 HN ILE 549 -0.506 -1.936 -3.901 771 HA ILE 549 HA ILE 549 1.347 0.160 -3.463 772 HB ILE 549 HB ILE 549 0.208 -0.659 -6.146 773 1HG1 ILE 549 HG12 ILE 549 2.729 -1.693 -4.850 774 2HG1 ILE 549 HG11 ILE 549 1.191 -2.537 -4.748 775 1HG2 ILE 549 HG21 ILE 549 1.467 1.034 -6.869 776 2HG2 ILE 549 HG22 ILE 549 2.871 0.064 -6.422 777 3HG2 ILE 549 HG23 ILE 549 2.218 1.247 -5.286 778 1HD1 ILE 549 HD11 ILE 549 1.343 -3.313 -6.839 779 2HD1 ILE 549 HD12 ILE 549 3.060 -2.948 -6.657 780 3HD1 ILE 549 HD13 ILE 549 1.994 -1.794 -7.459 781 H ARG 550 HN ARG 550 -1.833 0.089 -5.094 782 HA ARG 550 HA ARG 550 -1.985 2.770 -5.793 783 1HB ARG 550 HB2 ARG 550 -4.345 2.481 -5.955 784 2HB ARG 550 HB1 ARG 550 -3.617 0.960 -6.425 785 1HG ARG 550 HG2 ARG 550 -4.267 -0.092 -4.447 786 2HG ARG 550 HG1 ARG 550 -4.599 1.434 -3.631 787 1HD ARG 550 HD2 ARG 550 -6.457 1.809 -5.247 788 2HD ARG 550 HD1 ARG 550 -6.163 0.196 -5.887 789 HE ARG 550 HE ARG 550 -7.096 -0.721 -3.980 790 1HH1 ARG 550 HH11 ARG 550 -6.797 2.741 -3.625 791 2HH1 ARG 550 HH12 ARG 550 -7.839 2.811 -2.244 792 1HH2 ARG 550 HH21 ARG 550 -8.462 -0.626 -2.165 793 2HH2 ARG 550 HH22 ARG 550 -8.784 0.902 -1.415 794 H HIS 551 HN HIS 551 -2.644 1.169 -2.723 795 HA HIS 551 HA HIS 551 -3.732 3.352 -1.336 796 1HB HIS 551 HB2 HIS 551 -2.525 0.756 -0.639 797 2HB HIS 551 HB1 HIS 551 -2.374 1.987 0.610 798 HD1 HIS 551 HD1 HIS 551 -5.441 2.521 -1.226 799 HD2 HIS 551 HD2 HIS 551 -4.226 0.069 1.900 800 HE1 HIS 551 HE1 HIS 551 -7.559 1.757 -0.110 801 HE2 HIS 551 HE2 HIS 551 -6.801 0.187 1.709 802 H VAL 552 HN VAL 552 -0.376 2.327 -1.844 803 HA VAL 552 HA VAL 552 0.884 4.158 -0.149 804 HB VAL 552 HB VAL 552 1.947 3.173 -2.802 805 1HG1 VAL 552 HG11 VAL 552 4.010 3.339 -0.954 806 2HG1 VAL 552 HG12 VAL 552 3.050 4.789 -0.666 807 3HG1 VAL 552 HG13 VAL 552 3.688 4.460 -2.277 808 1HG2 VAL 552 HG21 VAL 552 2.821 1.781 -0.387 809 2HG2 VAL 552 HG22 VAL 552 2.311 1.137 -1.947 810 3HG2 VAL 552 HG23 VAL 552 1.105 1.577 -0.738 811 H LEU 553 HN LEU 553 -0.500 4.522 -3.334 812 HA LEU 553 HA LEU 553 0.678 6.845 -4.257 813 1HB LEU 553 HB2 LEU 553 -1.133 5.356 -5.305 814 2HB LEU 553 HB1 LEU 553 -2.282 6.366 -4.456 815 HG LEU 553 HG LEU 553 -0.484 8.057 -5.906 816 1HD1 LEU 553 HD11 LEU 553 -0.103 7.019 -7.827 817 2HD1 LEU 553 HD12 LEU 553 -1.837 6.803 -8.066 818 3HD1 LEU 553 HD13 LEU 553 -0.905 5.573 -7.214 819 1HD2 LEU 553 HD21 LEU 553 -3.223 7.691 -6.918 820 2HD2 LEU 553 HD22 LEU 553 -2.393 9.151 -6.378 821 3HD2 LEU 553 HD23 LEU 553 -3.105 8.056 -5.195 822 H ASN 554 HN ASN 554 -1.673 6.446 -1.702 823 HA ASN 554 HA ASN 554 -2.497 7.862 -0.131 824 1HB ASN 554 HB2 ASN 554 0.148 8.667 -0.580 825 2HB ASN 554 HB1 ASN 554 -0.786 10.158 -0.573 826 1HD2 ASN 554 HD21 ASN 554 -2.732 9.640 1.235 827 2HD2 ASN 554 HD22 ASN 554 -2.044 9.383 2.798 828 H ARG 555 HN ARG 555 -4.011 7.888 -2.305 829 HA ARG 555 HA ARG 555 -5.342 10.349 -2.199 830 1HB ARG 555 HB2 ARG 555 -3.201 10.832 -3.631 831 2HB ARG 555 HB1 ARG 555 -4.104 10.027 -4.907 832 1HG ARG 555 HG2 ARG 555 -5.339 11.830 -5.281 833 2HG ARG 555 HG1 ARG 555 -5.733 11.994 -3.569 834 1HD ARG 555 HD2 ARG 555 -4.531 13.879 -3.665 835 2HD ARG 555 HD1 ARG 555 -3.127 12.814 -3.633 836 HE ARG 555 HE ARG 555 -4.184 14.257 -5.927 837 1HH1 ARG 555 HH11 ARG 555 -1.938 11.860 -4.735 838 2HH1 ARG 555 HH12 ARG 555 -0.926 11.935 -6.136 839 1HH2 ARG 555 HH21 ARG 555 -2.852 14.351 -7.767 840 2HH2 ARG 555 HH22 ARG 555 -1.443 13.346 -7.855 841 HA PRO 556 HA PRO 556 -7.620 6.511 -3.666 842 1HB PRO 556 HB2 PRO 556 -9.637 7.978 -2.031 843 2HB PRO 556 HB1 PRO 556 -9.289 6.247 -2.103 844 1HG PRO 556 HG2 PRO 556 -8.460 7.703 -0.039 845 2HG PRO 556 HG1 PRO 556 -7.433 6.427 -0.721 846 1HD PRO 556 HD2 PRO 556 -7.228 9.390 -1.018 847 2HD PRO 556 HD1 PRO 556 -5.940 8.173 -0.908 848 H LYS 557 HN LYS 557 -8.123 6.823 -5.740 849 HA LYS 557 HA LYS 557 -10.457 7.913 -6.647 850 1HB LYS 557 HB2 LYS 557 -8.380 9.962 -6.278 851 2HB LYS 557 HB1 LYS 557 -9.088 9.950 -7.887 852 1HG LYS 557 HG2 LYS 557 -11.278 9.760 -6.219 853 2HG LYS 557 HG1 LYS 557 -10.199 10.867 -5.369 854 1HD LYS 557 HD2 LYS 557 -10.284 11.485 -8.186 855 2HD LYS 557 HD1 LYS 557 -11.910 11.460 -7.503 856 1HE LYS 557 HE2 LYS 557 -11.205 13.662 -7.194 857 2HE LYS 557 HE1 LYS 557 -10.939 12.904 -5.624 858 1HZ LYS 557 HZ1 LYS 557 -9.100 14.343 -6.891 859 2HZ LYS 557 HZ2 LYS 557 -8.702 12.806 -7.472 860 3HZ LYS 557 HZ3 LYS 557 -8.719 13.100 -5.807 861 H TRP 558 HN TRP 558 -7.463 8.849 -8.248 862 HA TRP 558 HA TRP 558 -8.087 7.408 -10.552 863 1HB TRP 558 HB2 TRP 558 -5.773 7.859 -11.335 864 2HB TRP 558 HB1 TRP 558 -6.713 9.272 -10.908 865 HD1 TRP 558 HD1 TRP 558 -6.111 10.023 -8.115 866 HE1 TRP 558 HE1 TRP 558 -3.736 10.424 -7.243 867 HE3 TRP 558 HE3 TRP 558 -3.521 7.365 -11.612 868 HZ2 TRP 558 HZ2 TRP 558 -1.080 9.703 -7.948 869 HZ3 TRP 558 HZ3 TRP 558 -1.074 7.265 -11.457 870 HH2 TRP 558 HH2 TRP 558 0.126 8.413 -9.660 871 H LEU 559 HN LEU 559 -6.500 6.452 -7.676 872 HA LEU 559 HA LEU 559 -4.924 4.346 -8.472 873 1HB LEU 559 HB2 LEU 559 -6.721 4.753 -6.106 874 2HB LEU 559 HB1 LEU 559 -5.872 3.239 -6.302 875 HG LEU 559 HG LEU 559 -4.436 4.339 -4.921 876 1HD1 LEU 559 HD11 LEU 559 -3.483 3.937 -7.370 877 2HD1 LEU 559 HD12 LEU 559 -2.516 4.631 -6.079 878 3HD1 LEU 559 HD13 LEU 559 -3.261 5.684 -7.278 879 1HD2 LEU 559 HD21 LEU 559 -4.801 6.963 -6.321 880 2HD2 LEU 559 HD22 LEU 559 -4.191 6.649 -4.696 881 3HD2 LEU 559 HD23 LEU 559 -5.900 6.417 -5.057 882 H MET 560 HN MET 560 -8.444 4.268 -7.845 883 HA MET 560 HA MET 560 -8.852 1.567 -8.387 884 1HB MET 560 HB2 MET 560 -10.486 3.916 -8.074 885 2HB MET 560 HB1 MET 560 -11.088 2.959 -9.419 886 1HG MET 560 HG2 MET 560 -12.171 2.374 -7.311 887 2HG MET 560 HG1 MET 560 -11.282 1.017 -7.998 888 1HE MET 560 HE1 MET 560 -8.352 0.512 -6.539 889 2HE MET 560 HE2 MET 560 -9.835 -0.240 -7.128 890 3HE MET 560 HE3 MET 560 -9.414 -0.340 -5.418 891 H LEU 561 HN LEU 561 -8.366 4.289 -10.506 892 HA LEU 561 HA LEU 561 -9.181 3.024 -12.908 893 1HB LEU 561 HB2 LEU 561 -9.115 5.422 -12.823 894 2HB LEU 561 HB1 LEU 561 -7.433 5.416 -12.364 895 HG LEU 561 HG LEU 561 -7.993 6.092 -14.750 896 1HD1 LEU 561 HD11 LEU 561 -5.915 5.446 -15.454 897 2HD1 LEU 561 HD12 LEU 561 -6.053 3.834 -14.755 898 3HD1 LEU 561 HD13 LEU 561 -5.753 5.224 -13.711 899 1HD2 LEU 561 HD21 LEU 561 -9.052 3.395 -14.738 900 2HD2 LEU 561 HD22 LEU 561 -7.858 3.628 -16.008 901 3HD2 LEU 561 HD23 LEU 561 -9.264 4.687 -15.915 902 H LYS 562 HN LYS 562 -5.979 3.617 -11.480 903 HA LYS 562 HA LYS 562 -4.495 2.322 -13.486 904 1HB LYS 562 HB2 LYS 562 -3.470 3.805 -11.819 905 2HB LYS 562 HB1 LYS 562 -3.849 2.650 -10.549 906 1HG LYS 562 HG2 LYS 562 -2.240 1.681 -12.840 907 2HG LYS 562 HG1 LYS 562 -1.464 2.774 -11.692 908 1HD LYS 562 HD2 LYS 562 -2.164 1.266 -9.854 909 2HD LYS 562 HD1 LYS 562 -2.812 0.150 -11.057 910 1HE LYS 562 HE2 LYS 562 -0.797 -0.710 -11.449 911 2HE LYS 562 HE1 LYS 562 -0.096 0.889 -11.690 912 1HZ LYS 562 HZ1 LYS 562 0.378 1.091 -9.420 913 2HZ LYS 562 HZ2 LYS 562 0.834 -0.491 -9.809 914 3HZ LYS 562 HZ3 LYS 562 -0.619 -0.206 -8.991 915 H VAL 563 HN VAL 563 -5.951 1.169 -10.498 916 HA VAL 563 HA VAL 563 -4.947 -1.452 -10.528 917 HB VAL 563 HB VAL 563 -7.636 -0.573 -9.463 918 1HG1 VAL 563 HG11 VAL 563 -6.163 -2.518 -7.906 919 2HG1 VAL 563 HG12 VAL 563 -6.454 -3.083 -9.553 920 3HG1 VAL 563 HG13 VAL 563 -7.808 -2.590 -8.540 921 1HG2 VAL 563 HG21 VAL 563 -6.667 0.567 -7.816 922 2HG2 VAL 563 HG22 VAL 563 -5.188 0.507 -8.772 923 3HG2 VAL 563 HG23 VAL 563 -5.478 -0.707 -7.523 924 H LYS 564 HN LYS 564 -8.026 -0.133 -11.718 925 HA LYS 564 HA LYS 564 -8.924 -2.572 -12.860 926 1HB LYS 564 HB2 LYS 564 -9.757 0.298 -13.085 927 2HB LYS 564 HB1 LYS 564 -10.424 -0.890 -14.197 928 1HG LYS 564 HG2 LYS 564 -10.515 -1.330 -11.238 929 2HG LYS 564 HG1 LYS 564 -11.725 -0.339 -12.056 930 1HD LYS 564 HD2 LYS 564 -12.757 -2.380 -12.147 931 2HD LYS 564 HD1 LYS 564 -11.851 -2.428 -13.661 932 1HE LYS 564 HE2 LYS 564 -10.570 -4.123 -12.962 933 2HE LYS 564 HE1 LYS 564 -10.309 -3.385 -11.382 934 1HZ LYS 564 HZ1 LYS 564 -12.440 -4.226 -10.658 935 2HZ LYS 564 HZ2 LYS 564 -11.484 -5.501 -11.225 936 3HZ LYS 564 HZ3 LYS 564 -12.738 -4.894 -12.185 937 H GLU 565 HN GLU 565 -6.897 0.029 -13.969 938 HA GLU 565 HA GLU 565 -7.027 -0.298 -16.732 939 1HB GLU 565 HB2 GLU 565 -5.419 1.122 -14.904 940 2HB GLU 565 HB1 GLU 565 -4.308 0.170 -15.882 941 1HG GLU 565 HG2 GLU 565 -5.625 1.115 -17.887 942 2HG GLU 565 HG1 GLU 565 -6.209 2.314 -16.734 943 H GLN 566 HN GLN 566 -4.625 -1.649 -14.512 944 HA GLN 566 HA GLN 566 -3.463 -3.358 -16.409 945 1HB GLN 566 HB2 GLN 566 -2.191 -4.270 -14.593 946 2HB GLN 566 HB1 GLN 566 -2.345 -2.536 -14.347 947 1HG GLN 566 HG2 GLN 566 -3.700 -2.772 -12.524 948 2HG GLN 566 HG1 GLN 566 -4.319 -4.337 -13.048 949 1HE2 GLN 566 HE21 GLN 566 -1.117 -2.965 -12.353 950 2HE2 GLN 566 HE22 GLN 566 -0.609 -4.244 -11.309 951 H GLU 567 HN GLU 567 -6.176 -3.753 -14.267 952 HA GLU 567 HA GLU 567 -6.249 -6.618 -14.374 953 1HB GLU 567 HB2 GLU 567 -7.631 -4.560 -12.969 954 2HB GLU 567 HB1 GLU 567 -8.833 -5.531 -13.809 955 1HG GLU 567 HG2 GLU 567 -6.687 -6.754 -12.107 956 2HG GLU 567 HG1 GLU 567 -8.232 -6.220 -11.447 957 H LYS 568 HN LYS 568 -8.204 -4.032 -15.769 958 HA LYS 568 HA LYS 568 -9.643 -5.695 -17.533 959 1HB LYS 568 HB2 LYS 568 -9.719 -3.016 -16.834 960 2HB LYS 568 HB1 LYS 568 -9.152 -2.967 -18.495 961 1HG LYS 568 HG2 LYS 568 -11.484 -2.795 -18.618 962 2HG LYS 568 HG1 LYS 568 -11.119 -4.466 -19.057 963 1HD LYS 568 HD2 LYS 568 -11.563 -4.009 -16.188 964 2HD LYS 568 HD1 LYS 568 -12.971 -3.713 -17.210 965 1HE LYS 568 HE2 LYS 568 -13.284 -5.893 -17.564 966 2HE LYS 568 HE1 LYS 568 -11.583 -6.149 -17.950 967 1HZ LYS 568 HZ1 LYS 568 -11.758 -7.383 -16.066 968 2HZ LYS 568 HZ2 LYS 568 -12.969 -6.417 -15.388 969 3HZ LYS 568 HZ3 LYS 568 -11.359 -5.898 -15.360 970 H THR 569 HN THR 569 -6.556 -4.049 -17.610 971 HA THR 569 HA THR 569 -5.894 -4.186 -20.286 972 HB THR 569 HB THR 569 -4.355 -4.238 -17.742 973 HG1 THR 569 HG1 THR 569 -5.056 -2.317 -18.919 974 1HG2 THR 569 HG21 THR 569 -3.079 -5.848 -19.028 975 2HG2 THR 569 HG22 THR 569 -2.206 -4.324 -18.873 976 3HG2 THR 569 HG23 THR 569 -3.017 -4.725 -20.388 977 H GLU 570 HN GLU 570 -5.614 -6.661 -17.748 978 HA GLU 570 HA GLU 570 -4.483 -8.700 -19.326 979 1HB GLU 570 HB2 GLU 570 -4.869 -8.711 -16.788 980 2HB GLU 570 HB1 GLU 570 -6.533 -9.150 -17.148 981 1HG GLU 570 HG2 GLU 570 -5.047 -10.948 -18.625 982 2HG GLU 570 HG1 GLU 570 -4.142 -10.784 -17.121 983 H ALA 571 HN ALA 571 -7.721 -7.504 -18.810 984 HA ALA 571 HA ALA 571 -9.129 -9.429 -20.341 985 1HB ALA 571 HB1 ALA 571 -10.978 -8.168 -19.923 986 2HB ALA 571 HB2 ALA 571 -10.151 -6.647 -20.263 987 3HB ALA 571 HB3 ALA 571 -9.921 -7.450 -18.708 988 H GLU 572 HN GLU 572 -7.288 -6.554 -21.117 989 HA GLU 572 HA GLU 572 -8.266 -6.134 -23.741 990 1HB GLU 572 HB2 GLU 572 -6.683 -4.678 -22.166 991 2HB GLU 572 HB1 GLU 572 -5.430 -5.489 -23.089 992 1HG GLU 572 HG2 GLU 572 -6.542 -4.685 -25.168 993 2HG GLU 572 HG1 GLU 572 -7.629 -3.738 -24.154 994 H ARG 573 HN ARG 573 -5.420 -7.893 -22.513 995 HA ARG 573 HA ARG 573 -4.499 -8.718 -25.052 996 1HB ARG 573 HB2 ARG 573 -3.257 -10.485 -23.759 997 2HB ARG 573 HB1 ARG 573 -2.969 -8.837 -23.223 998 1HG ARG 573 HG2 ARG 573 -4.389 -9.134 -21.326 999 2HG ARG 573 HG1 ARG 573 -4.917 -10.713 -21.910 1000 1HD ARG 573 HD2 ARG 573 -3.328 -11.396 -20.432 1001 2HD ARG 573 HD1 ARG 573 -2.307 -11.185 -21.852 1002 HE ARG 573 HE ARG 573 -2.342 -9.549 -19.460 1003 1HH1 ARG 573 HH11 ARG 573 -1.289 -9.846 -22.778 1004 2HH1 ARG 573 HH12 ARG 573 -0.022 -8.680 -22.608 1005 1HH2 ARG 573 HH21 ARG 573 -0.676 -8.015 -19.242 1006 2HH2 ARG 573 HH22 ARG 573 0.326 -7.640 -20.603 1007 H ARG 574 HN ARG 574 -6.955 -9.876 -22.900 1008 HA ARG 574 HA ARG 574 -7.310 -12.344 -24.399 1009 1HB ARG 574 HB2 ARG 574 -8.043 -11.383 -21.767 1010 2HB ARG 574 HB1 ARG 574 -9.439 -12.051 -22.601 1011 1HG ARG 574 HG2 ARG 574 -8.125 -14.113 -23.032 1012 2HG ARG 574 HG1 ARG 574 -6.828 -13.438 -22.044 1013 1HD ARG 574 HD2 ARG 574 -8.155 -14.937 -20.704 1014 2HD ARG 574 HD1 ARG 574 -8.401 -13.285 -20.146 1015 HE ARG 574 HE ARG 574 -10.346 -15.009 -21.439 1016 1HH1 ARG 574 HH11 ARG 574 -9.543 -11.779 -20.377 1017 2HH1 ARG 574 HH12 ARG 574 -11.188 -11.241 -20.369 1018 1HH2 ARG 574 HH21 ARG 574 -12.506 -14.298 -21.429 1019 2HH2 ARG 574 HH22 ARG 574 -12.869 -12.669 -20.965 1020 H LYS 575 HN LYS 575 -8.654 -9.131 -24.120 1021 HA LYS 575 HA LYS 575 -10.345 -8.071 -25.217 1022 1HB LYS 575 HB2 LYS 575 -10.072 -10.164 -27.364 1023 2HB LYS 575 HB1 LYS 575 -10.523 -8.475 -27.541 1024 1HG LYS 575 HG2 LYS 575 -8.327 -7.735 -27.237 1025 2HG LYS 575 HG1 LYS 575 -7.811 -9.275 -26.548 1026 1HD LYS 575 HD2 LYS 575 -8.734 -10.000 -29.034 1027 2HD LYS 575 HD1 LYS 575 -7.985 -8.431 -29.339 1028 1HE LYS 575 HE2 LYS 575 -5.940 -9.241 -28.195 1029 2HE LYS 575 HE1 LYS 575 -6.696 -10.826 -28.037 1030 1HZ LYS 575 HZ1 LYS 575 -5.541 -9.548 -30.374 1031 2HZ LYS 575 HZ2 LYS 575 -6.975 -10.402 -30.648 1032 3HZ LYS 575 HZ3 LYS 575 -5.639 -11.190 -29.973 1033 H ASP 576 HN ASP 576 -12.133 -8.396 -23.969 1034 HA ASP 576 HA ASP 576 -13.662 -10.858 -24.242 1035 1HB ASP 576 HB2 ASP 576 -13.213 -9.383 -22.069 1036 2HB ASP 576 HB1 ASP 576 -14.666 -8.561 -22.629 1037 H PHE 577 HN PHE 577 -14.410 -7.375 -24.418 1038 HA PHE 577 HA PHE 577 -16.546 -8.013 -26.338 1039 1HB PHE 577 HB2 PHE 577 -16.515 -6.366 -24.033 1040 2HB PHE 577 HB1 PHE 577 -16.654 -5.291 -25.421 1041 HD1 PHE 577 HD1 PHE 577 -18.847 -4.588 -25.501 1042 HD2 PHE 577 HD2 PHE 577 -18.015 -8.710 -24.849 1043 HE1 PHE 577 HE1 PHE 577 -21.251 -5.094 -25.651 1044 HE2 PHE 577 HE2 PHE 577 -20.416 -9.224 -25.000 1045 HZ PHE 577 HZ PHE 577 -22.037 -7.414 -25.402 1046 H LEU 578 HN LEU 578 -15.641 -7.927 -28.319 1047 HA LEU 578 HA LEU 578 -14.799 -7.008 -30.224 1048 1HB LEU 578 HB2 LEU 578 -16.081 -4.955 -29.231 1049 2HB LEU 578 HB1 LEU 578 -14.474 -4.351 -28.881 1050 HG LEU 578 HG LEU 578 -14.647 -5.256 -31.622 1051 1HD1 LEU 578 HD11 LEU 578 -16.344 -2.861 -31.196 1052 2HD1 LEU 578 HD12 LEU 578 -17.073 -4.447 -30.943 1053 3HD1 LEU 578 HD13 LEU 578 -16.358 -4.044 -32.504 1054 1HD2 LEU 578 HD21 LEU 578 -14.330 -2.399 -30.980 1055 2HD2 LEU 578 HD22 LEU 578 -13.334 -3.458 -31.978 1056 3HD2 LEU 578 HD23 LEU 578 -13.170 -3.491 -30.223 1057 H THR 579 HN THR 579 -13.161 -5.109 -27.689 1058 HA THR 579 HA THR 579 -10.815 -6.518 -27.498 1059 HB THR 579 HB THR 579 -9.508 -4.653 -29.016 1060 HG1 THR 579 HG1 THR 579 -11.094 -3.841 -30.190 1061 1HG2 THR 579 HG21 THR 579 -9.721 -7.390 -29.017 1062 2HG2 THR 579 HG22 THR 579 -8.658 -6.425 -30.040 1063 3HG2 THR 579 HG23 THR 579 -10.235 -6.938 -30.643 1064 H ALA 580 HN ALA 580 -10.514 -3.133 -28.387 1065 HA ALA 580 HA ALA 580 -9.437 -2.402 -25.894 1066 1HB ALA 580 HB1 ALA 580 -8.800 -1.095 -27.735 1067 2HB ALA 580 HB2 ALA 580 -9.826 -0.040 -26.763 1068 3HB ALA 580 HB3 ALA 580 -10.472 -0.804 -28.216 1069 H ALA 581 HN ALA 581 -12.674 -2.812 -26.890 1070 HA ALA 581 HA ALA 581 -14.100 -0.914 -25.510 1071 1HB ALA 581 HB1 ALA 581 -15.135 -3.688 -25.397 1072 2HB ALA 581 HB2 ALA 581 -14.807 -3.001 -26.988 1073 3HB ALA 581 HB3 ALA 581 -15.932 -2.196 -25.895 1074 H ARG 582 HN ARG 582 -12.801 -3.969 -24.223 1075 HA ARG 582 HA ARG 582 -13.948 -3.855 -21.694 1076 1HB ARG 582 HB2 ARG 582 -11.830 -5.333 -22.995 1077 2HB ARG 582 HB1 ARG 582 -11.399 -4.966 -21.331 1078 1HG ARG 582 HG2 ARG 582 -14.083 -6.112 -21.967 1079 2HG ARG 582 HG1 ARG 582 -12.663 -7.156 -21.873 1080 1HD ARG 582 HD2 ARG 582 -12.597 -7.038 -19.640 1081 2HD ARG 582 HD1 ARG 582 -12.858 -5.295 -19.641 1082 HE ARG 582 HE ARG 582 -15.112 -5.651 -19.344 1083 1HH1 ARG 582 HH11 ARG 582 -13.555 -8.676 -20.132 1084 2HH1 ARG 582 HH12 ARG 582 -14.945 -9.634 -19.744 1085 1HH2 ARG 582 HH21 ARG 582 -16.938 -6.910 -18.835 1086 2HH2 ARG 582 HH22 ARG 582 -16.865 -8.633 -19.010 1087 H ILE 583 HN ILE 583 -10.711 -2.707 -22.668 1088 HA ILE 583 HA ILE 583 -10.165 -1.516 -20.142 1089 HB ILE 583 HB ILE 583 -8.798 -0.695 -22.689 1090 1HG1 ILE 583 HG12 ILE 583 -8.861 -3.122 -22.760 1091 2HG1 ILE 583 HG11 ILE 583 -7.238 -2.591 -22.337 1092 1HG2 ILE 583 HG21 ILE 583 -6.895 -0.378 -21.255 1093 2HG2 ILE 583 HG22 ILE 583 -7.764 -1.078 -19.889 1094 3HG2 ILE 583 HG23 ILE 583 -8.283 0.466 -20.569 1095 1HD1 ILE 583 HD11 ILE 583 -9.278 -3.485 -20.323 1096 2HD1 ILE 583 HD12 ILE 583 -7.561 -3.180 -20.041 1097 3HD1 ILE 583 HD13 ILE 583 -8.075 -4.545 -21.053 1098 H ALA 584 HN ALA 584 -11.074 -0.154 -23.300 1099 HA ALA 584 HA ALA 584 -11.074 2.532 -22.569 1100 1HB ALA 584 HB1 ALA 584 -11.237 2.295 -24.829 1101 2HB ALA 584 HB2 ALA 584 -12.931 2.603 -24.448 1102 3HB ALA 584 HB3 ALA 584 -12.376 0.951 -24.718 1103 H LYS 585 HN LYS 585 -13.549 0.065 -22.157 1104 HA LYS 585 HA LYS 585 -15.626 1.850 -21.395 1105 1HB LYS 585 HB2 LYS 585 -16.008 -0.470 -22.209 1106 2HB LYS 585 HB1 LYS 585 -15.328 -1.079 -20.707 1107 1HG LYS 585 HG2 LYS 585 -17.147 0.291 -19.543 1108 2HG LYS 585 HG1 LYS 585 -17.897 0.400 -21.136 1109 1HD LYS 585 HD2 LYS 585 -18.351 -1.858 -21.225 1110 2HD LYS 585 HD1 LYS 585 -17.057 -2.269 -20.097 1111 1HE LYS 585 HE2 LYS 585 -19.427 -2.492 -19.227 1112 2HE LYS 585 HE1 LYS 585 -18.313 -1.551 -18.237 1113 1HZ LYS 585 HZ1 LYS 585 -20.465 -0.465 -18.453 1114 2HZ LYS 585 HZ2 LYS 585 -20.297 -0.419 -20.136 1115 3HZ LYS 585 HZ3 LYS 585 -19.244 0.472 -19.158 1116 H GLU 586 HN GLU 586 -13.323 -0.127 -19.555 1117 HA GLU 586 HA GLU 586 -14.295 0.622 -17.002 1118 1HB GLU 586 HB2 GLU 586 -12.177 -1.009 -18.070 1119 2HB GLU 586 HB1 GLU 586 -11.555 -0.013 -16.761 1120 1HG GLU 586 HG2 GLU 586 -13.854 -1.948 -16.643 1121 2HG GLU 586 HG1 GLU 586 -12.281 -2.100 -15.861 1122 H MET 587 HN MET 587 -11.553 1.779 -18.942 1123 HA MET 587 HA MET 587 -10.544 3.667 -17.144 1124 1HB MET 587 HB2 MET 587 -10.118 2.924 -19.863 1125 2HB MET 587 HB1 MET 587 -10.327 4.669 -19.830 1126 1HG MET 587 HG2 MET 587 -8.164 4.756 -19.355 1127 2HG MET 587 HG1 MET 587 -8.625 4.244 -17.735 1128 1HE MET 587 HE1 MET 587 -8.402 0.253 -18.495 1129 2HE MET 587 HE2 MET 587 -9.748 1.388 -18.628 1130 3HE MET 587 HE3 MET 587 -8.754 1.370 -17.174 1131 H ILE 588 HN ILE 588 -12.752 4.263 -19.903 1132 HA ILE 588 HA ILE 588 -13.277 6.928 -19.379 1133 HB ILE 588 HB ILE 588 -14.618 4.774 -20.875 1134 1HG1 ILE 588 HG12 ILE 588 -14.843 7.439 -21.964 1135 2HG1 ILE 588 HG11 ILE 588 -13.203 7.144 -21.396 1136 1HG2 ILE 588 HG21 ILE 588 -16.682 6.115 -21.243 1137 2HG2 ILE 588 HG22 ILE 588 -16.202 7.130 -19.883 1138 3HG2 ILE 588 HG23 ILE 588 -16.544 5.419 -19.628 1139 1HD1 ILE 588 HD11 ILE 588 -13.568 6.578 -23.775 1140 2HD1 ILE 588 HD12 ILE 588 -14.698 5.325 -23.263 1141 3HD1 ILE 588 HD13 ILE 588 -12.999 5.222 -22.803 1142 H GLU 589 HN GLU 589 -14.530 4.024 -17.899 1143 HA GLU 589 HA GLU 589 -16.616 5.320 -16.416 1144 1HB GLU 589 HB2 GLU 589 -15.341 2.615 -16.407 1145 2HB GLU 589 HB1 GLU 589 -16.271 3.104 -14.997 1146 1HG GLU 589 HG2 GLU 589 -17.875 3.746 -17.182 1147 2HG GLU 589 HG1 GLU 589 -17.174 2.175 -17.565 1148 H MET 590 HN MET 590 -13.287 4.434 -15.906 1149 HA MET 590 HA MET 590 -13.167 5.135 -13.155 1150 1HB MET 590 HB2 MET 590 -11.076 4.643 -15.266 1151 2HB MET 590 HB1 MET 590 -10.665 5.038 -13.605 1152 1HG MET 590 HG2 MET 590 -12.417 2.716 -14.340 1153 2HG MET 590 HG1 MET 590 -10.666 2.590 -14.213 1154 1HE MET 590 HE1 MET 590 -13.726 2.390 -10.947 1155 2HE MET 590 HE2 MET 590 -13.902 2.241 -12.695 1156 3HE MET 590 HE3 MET 590 -13.857 3.836 -11.946 1157 H LYS 591 HN LYS 591 -12.714 6.853 -16.156 1158 HA LYS 591 HA LYS 591 -11.416 9.127 -15.029 1159 1HB LYS 591 HB2 LYS 591 -11.829 8.234 -17.577 1160 2HB LYS 591 HB1 LYS 591 -13.001 9.541 -17.480 1161 1HG LYS 591 HG2 LYS 591 -10.828 10.750 -16.428 1162 2HG LYS 591 HG1 LYS 591 -10.068 9.632 -17.562 1163 1HD LYS 591 HD2 LYS 591 -12.347 11.429 -18.352 1164 2HD LYS 591 HD1 LYS 591 -10.661 11.942 -18.448 1165 1HE LYS 591 HE2 LYS 591 -10.663 9.464 -19.673 1166 2HE LYS 591 HE1 LYS 591 -12.181 10.190 -20.200 1167 1HZ LYS 591 HZ1 LYS 591 -10.861 11.106 -21.751 1168 2HZ LYS 591 HZ2 LYS 591 -9.452 10.944 -20.829 1169 3HZ LYS 591 HZ3 LYS 591 -10.509 12.231 -20.536 1170 H LYS 592 HN LYS 592 -14.738 8.165 -15.578 1171 HA LYS 592 HA LYS 592 -15.896 10.713 -15.070 1172 1HB LYS 592 HB2 LYS 592 -16.833 7.994 -15.574 1173 2HB LYS 592 HB1 LYS 592 -17.838 8.851 -14.412 1174 1HG LYS 592 HG2 LYS 592 -18.782 9.236 -16.539 1175 2HG LYS 592 HG1 LYS 592 -17.970 10.733 -16.075 1176 1HD LYS 592 HD2 LYS 592 -16.644 8.642 -17.782 1177 2HD LYS 592 HD1 LYS 592 -17.632 9.932 -18.467 1178 1HE LYS 592 HE2 LYS 592 -16.035 11.394 -16.888 1179 2HE LYS 592 HE1 LYS 592 -14.949 10.045 -17.224 1180 1HZ LYS 592 HZ1 LYS 592 -16.060 12.040 -19.064 1181 2HZ LYS 592 HZ2 LYS 592 -15.724 10.493 -19.662 1182 3HZ LYS 592 HZ3 LYS 592 -14.489 11.417 -18.969 1183 H MET 593 HN MET 593 -15.482 7.801 -13.057 1184 HA MET 593 HA MET 593 -16.628 8.865 -10.728 1185 1HB MET 593 HB2 MET 593 -15.220 7.101 -9.552 1186 2HB MET 593 HB1 MET 593 -16.336 6.525 -10.783 1187 1HG MET 593 HG2 MET 593 -14.696 5.624 -11.958 1188 2HG MET 593 HG1 MET 593 -13.773 7.121 -11.930 1189 1HE MET 593 HE1 MET 593 -11.614 5.490 -12.034 1190 2HE MET 593 HE2 MET 593 -10.751 5.498 -10.499 1191 3HE MET 593 HE3 MET 593 -11.407 6.997 -11.151 1192 H LEU 594 HN LEU 594 -13.454 9.217 -12.128 1193 HA LEU 594 HA LEU 594 -11.962 10.056 -9.951 1194 1HB LEU 594 HB2 LEU 594 -11.890 10.632 -12.871 1195 2HB LEU 594 HB1 LEU 594 -10.907 11.629 -11.816 1196 HG LEU 594 HG LEU 594 -10.752 8.621 -11.875 1197 1HD1 LEU 594 HD11 LEU 594 -9.662 10.603 -13.702 1198 2HD1 LEU 594 HD12 LEU 594 -9.774 8.850 -13.859 1199 3HD1 LEU 594 HD13 LEU 594 -8.427 9.572 -12.977 1200 1HD2 LEU 594 HD21 LEU 594 -8.389 10.014 -11.017 1201 2HD2 LEU 594 HD22 LEU 594 -9.359 8.820 -10.156 1202 3HD2 LEU 594 HD23 LEU 594 -9.778 10.527 -10.061 1203 H SER 595 HN SER 595 -14.175 11.927 -11.982 1204 HA SER 595 HA SER 595 -15.193 13.937 -11.681 1205 1HB SER 595 HB2 SER 595 -14.831 12.864 -9.001 1206 2HB SER 595 HB1 SER 595 -14.827 14.628 -9.003 1207 HG SER 595 HG SER 595 -16.823 14.571 -10.078 1208 H SER 596 HN SER 596 -12.357 13.790 -12.352 1209 HA SER 596 HA SER 596 -11.680 16.556 -11.731 1210 1HB SER 596 HB2 SER 596 -10.041 14.174 -10.945 1211 2HB SER 596 HB1 SER 596 -9.228 15.671 -11.397 1212 HG SER 596 HG SER 596 -10.958 15.165 -9.238 1213 H SER 597 HN SER 597 -10.055 17.446 -13.160 1214 HA SER 597 HA SER 597 -9.910 15.986 -15.716 1215 1HB SER 597 HB2 SER 597 -9.873 18.981 -15.273 1216 2HB SER 597 HB1 SER 597 -9.842 18.160 -16.833 1217 HG SER 597 HG SER 597 -11.954 18.881 -15.440 Start of MODEL 10 1 1H MET 452 HT1 MET 452 -11.014 3.148 19.316 2 2H MET 452 HT2 MET 452 -11.416 2.236 20.714 3 3H MET 452 HT3 MET 452 -11.455 3.951 20.764 4 HA MET 452 HA MET 452 -13.627 2.783 20.594 5 1HB MET 452 HB2 MET 452 -12.534 5.101 19.226 6 2HB MET 452 HB1 MET 452 -13.931 4.455 18.377 7 1HG MET 452 HG2 MET 452 -15.370 5.022 20.023 8 2HG MET 452 HG1 MET 452 -14.185 4.766 21.302 9 1HE MET 452 HE1 MET 452 -14.131 8.184 22.461 10 2HE MET 452 HE2 MET 452 -14.472 6.470 22.705 11 3HE MET 452 HE3 MET 452 -15.713 7.530 22.036 12 H ALA 453 HN ALA 453 -15.118 2.765 18.364 13 HA ALA 453 HA ALA 453 -13.984 0.531 16.816 14 1HB ALA 453 HB1 ALA 453 -15.829 -0.532 17.473 15 2HB ALA 453 HB2 ALA 453 -16.714 0.515 16.364 16 3HB ALA 453 HB3 ALA 453 -16.568 0.957 18.065 17 H LYS 454 HN LYS 454 -15.863 3.516 16.574 18 HA LYS 454 HA LYS 454 -15.554 3.449 13.654 19 1HB LYS 454 HB2 LYS 454 -17.771 3.992 15.168 20 2HB LYS 454 HB1 LYS 454 -17.172 5.608 14.819 21 1HG LYS 454 HG2 LYS 454 -17.484 5.374 12.541 22 2HG LYS 454 HG1 LYS 454 -17.472 3.612 12.617 23 1HD LYS 454 HD2 LYS 454 -19.715 4.023 12.316 24 2HD LYS 454 HD1 LYS 454 -19.619 3.965 14.077 25 1HE LYS 454 HE2 LYS 454 -19.133 6.610 12.897 26 2HE LYS 454 HE1 LYS 454 -20.760 5.979 12.649 27 1HZ LYS 454 HZ1 LYS 454 -19.501 5.981 15.322 28 2HZ LYS 454 HZ2 LYS 454 -21.143 5.868 14.929 29 3HZ LYS 454 HZ3 LYS 454 -20.327 7.337 14.737 30 H LYS 455 HN LYS 455 -13.464 4.177 13.405 31 HA LYS 455 HA LYS 455 -12.929 6.911 14.364 32 1HB LYS 455 HB2 LYS 455 -10.527 6.336 14.271 33 2HB LYS 455 HB1 LYS 455 -11.416 5.328 15.406 34 1HG LYS 455 HG2 LYS 455 -11.541 3.588 13.593 35 2HG LYS 455 HG1 LYS 455 -10.405 4.581 12.676 36 1HD LYS 455 HD2 LYS 455 -8.852 3.332 13.732 37 2HD LYS 455 HD1 LYS 455 -9.141 4.452 15.065 38 1HE LYS 455 HE2 LYS 455 -10.309 1.706 14.667 39 2HE LYS 455 HE1 LYS 455 -9.240 2.251 15.960 40 1HZ LYS 455 HZ1 LYS 455 -12.029 3.173 15.514 41 2HZ LYS 455 HZ2 LYS 455 -11.005 3.704 16.752 42 3HZ LYS 455 HZ3 LYS 455 -11.524 2.094 16.717 43 H LEU 456 HN LEU 456 -12.529 4.638 11.700 44 HA LEU 456 HA LEU 456 -12.266 4.933 9.460 45 1HB LEU 456 HB2 LEU 456 -14.166 6.692 10.165 46 2HB LEU 456 HB1 LEU 456 -12.956 7.815 9.575 47 HG LEU 456 HG LEU 456 -12.926 6.280 7.466 48 1HD1 LEU 456 HD11 LEU 456 -15.435 5.459 8.875 49 2HD1 LEU 456 HD12 LEU 456 -14.235 4.460 8.054 50 3HD1 LEU 456 HD13 LEU 456 -15.347 5.456 7.114 51 1HD2 LEU 456 HD21 LEU 456 -13.723 8.643 7.636 52 2HD2 LEU 456 HD22 LEU 456 -15.336 8.015 7.980 53 3HD2 LEU 456 HD23 LEU 456 -14.567 7.671 6.430 54 H LEU 457 HN LEU 457 -10.279 4.919 8.660 55 HA LEU 457 HA LEU 457 -8.703 7.361 8.668 56 1HB LEU 457 HB2 LEU 457 -6.667 5.993 9.390 57 2HB LEU 457 HB1 LEU 457 -7.800 6.490 10.633 58 HG LEU 457 HG LEU 457 -8.833 4.089 10.132 59 1HD1 LEU 457 HD11 LEU 457 -7.316 3.506 8.352 60 2HD1 LEU 457 HD12 LEU 457 -7.007 2.474 9.748 61 3HD1 LEU 457 HD13 LEU 457 -5.924 3.819 9.391 62 1HD2 LEU 457 HD21 LEU 457 -8.047 4.902 12.298 63 2HD2 LEU 457 HD22 LEU 457 -6.383 4.565 11.824 64 3HD2 LEU 457 HD23 LEU 457 -7.531 3.240 12.011 65 HA PRO 458 HA PRO 458 -7.656 5.881 4.642 66 1HB PRO 458 HB2 PRO 458 -5.382 7.260 4.165 67 2HB PRO 458 HB1 PRO 458 -6.969 8.035 4.206 68 1HG PRO 458 HG2 PRO 458 -4.861 7.923 6.329 69 2HG PRO 458 HG1 PRO 458 -5.859 9.295 5.815 70 1HD PRO 458 HD2 PRO 458 -6.403 7.815 8.030 71 2HD PRO 458 HD1 PRO 458 -7.663 8.612 7.068 72 H ALA 459 HN ALA 459 -5.434 5.272 3.419 73 HA ALA 459 HA ALA 459 -3.860 3.522 5.180 74 1HB ALA 459 HB1 ALA 459 -5.739 2.326 3.913 75 2HB ALA 459 HB2 ALA 459 -4.116 1.644 3.816 76 3HB ALA 459 HB3 ALA 459 -4.755 2.590 2.473 77 H PHE 460 HN PHE 460 -1.923 4.499 5.075 78 HA PHE 460 HA PHE 460 -0.778 4.937 2.399 79 1HB PHE 460 HB2 PHE 460 0.593 6.787 3.479 80 2HB PHE 460 HB1 PHE 460 -1.116 7.125 3.242 81 HD1 PHE 460 HD1 PHE 460 -2.603 6.347 5.370 82 HD2 PHE 460 HD2 PHE 460 1.502 7.470 5.456 83 HE1 PHE 460 HE1 PHE 460 -2.807 6.894 7.756 84 HE2 PHE 460 HE2 PHE 460 1.302 8.025 7.844 85 HZ PHE 460 HZ PHE 460 -0.854 7.738 8.999 86 H GLN 461 HN GLN 461 0.451 4.916 5.758 87 HA GLN 461 HA GLN 461 2.852 3.583 4.991 88 1HB GLN 461 HB2 GLN 461 2.795 5.123 6.899 89 2HB GLN 461 HB1 GLN 461 1.666 4.064 7.733 90 1HG GLN 461 HG2 GLN 461 3.980 2.571 6.967 91 2HG GLN 461 HG1 GLN 461 4.474 4.031 7.825 92 1HE2 GLN 461 HE21 GLN 461 2.466 1.156 8.018 93 2HE2 GLN 461 HE22 GLN 461 2.420 1.075 9.743 94 H ASN 462 HN ASN 462 -0.235 2.645 6.331 95 HA ASN 462 HA ASN 462 0.391 0.036 7.140 96 1HB ASN 462 HB2 ASN 462 -1.840 1.601 7.241 97 2HB ASN 462 HB1 ASN 462 -2.298 0.450 5.987 98 1HD2 ASN 462 HD21 ASN 462 -2.821 -1.591 6.538 99 2HD2 ASN 462 HD22 ASN 462 -2.836 -2.188 8.159 100 H ALA 463 HN ALA 463 -0.834 1.292 4.053 101 HA ALA 463 HA ALA 463 -0.998 -1.185 2.724 102 1HB ALA 463 HB1 ALA 463 -0.847 1.662 1.826 103 2HB ALA 463 HB2 ALA 463 -2.161 0.498 1.651 104 3HB ALA 463 HB3 ALA 463 -0.720 0.360 0.643 105 H GLU 464 HN GLU 464 1.610 1.167 3.075 106 HA GLU 464 HA GLU 464 3.413 0.018 1.252 107 1HB GLU 464 HB2 GLU 464 3.424 2.166 3.077 108 2HB GLU 464 HB1 GLU 464 4.793 1.153 3.516 109 1HG GLU 464 HG2 GLU 464 5.971 1.877 1.788 110 2HG GLU 464 HG1 GLU 464 4.669 1.492 0.665 111 H ARG 465 HN ARG 465 2.760 -0.632 4.653 112 HA ARG 465 HA ARG 465 4.913 -2.355 5.173 113 1HB ARG 465 HB2 ARG 465 3.356 -1.361 6.873 114 2HB ARG 465 HB1 ARG 465 2.136 -2.515 6.357 115 1HG ARG 465 HG2 ARG 465 3.461 -4.355 7.116 116 2HG ARG 465 HG1 ARG 465 4.828 -3.291 7.456 117 1HD ARG 465 HD2 ARG 465 3.773 -2.328 9.296 118 2HD ARG 465 HD1 ARG 465 2.175 -2.851 8.770 119 HE ARG 465 HE ARG 465 4.059 -4.946 9.482 120 1HH1 ARG 465 HH11 ARG 465 1.372 -2.946 10.475 121 2HH1 ARG 465 HH12 ARG 465 0.896 -4.009 11.754 122 1HH2 ARG 465 HH21 ARG 465 3.431 -6.340 11.169 123 2HH2 ARG 465 HH22 ARG 465 2.063 -5.932 12.150 124 H LEU 466 HN LEU 466 1.555 -3.136 4.250 125 HA LEU 466 HA LEU 466 1.893 -5.887 4.023 126 1HB LEU 466 HB2 LEU 466 0.159 -4.969 1.917 127 2HB LEU 466 HB1 LEU 466 -0.218 -5.906 3.344 128 HG LEU 466 HG LEU 466 -0.040 -2.894 3.328 129 1HD1 LEU 466 HD11 LEU 466 -1.887 -4.166 1.923 130 2HD1 LEU 466 HD12 LEU 466 -2.259 -2.722 2.867 131 3HD1 LEU 466 HD13 LEU 466 -2.633 -4.320 3.513 132 1HD2 LEU 466 HD21 LEU 466 -1.130 -3.035 5.466 133 2HD2 LEU 466 HD22 LEU 466 0.311 -4.051 5.501 134 3HD2 LEU 466 HD23 LEU 466 -1.282 -4.786 5.321 135 H LEU 467 HN LEU 467 2.554 -3.308 1.710 136 HA LEU 467 HA LEU 467 3.125 -4.761 -0.574 137 1HB LEU 467 HB2 LEU 467 3.301 -2.168 0.045 138 2HB LEU 467 HB1 LEU 467 4.995 -2.571 0.209 139 HG LEU 467 HG LEU 467 4.879 -1.792 -1.958 140 1HD1 LEU 467 HD11 LEU 467 4.912 -3.787 -3.499 141 2HD1 LEU 467 HD12 LEU 467 4.544 -4.766 -2.074 142 3HD1 LEU 467 HD13 LEU 467 6.030 -3.814 -2.131 143 1HD2 LEU 467 HD21 LEU 467 2.810 -3.130 -3.302 144 2HD2 LEU 467 HD22 LEU 467 2.915 -1.416 -2.900 145 3HD2 LEU 467 HD23 LEU 467 2.123 -2.536 -1.788 146 H LEU 468 HN LEU 468 5.289 -3.928 2.104 147 HA LEU 468 HA LEU 468 7.603 -5.200 1.334 148 1HB LEU 468 HB2 LEU 468 6.710 -5.501 4.161 149 2HB LEU 468 HB1 LEU 468 8.297 -5.109 3.534 150 HG LEU 468 HG LEU 468 5.948 -3.219 3.604 151 1HD1 LEU 468 HD11 LEU 468 6.751 -3.727 5.831 152 2HD1 LEU 468 HD12 LEU 468 7.192 -2.087 5.365 153 3HD1 LEU 468 HD13 LEU 468 8.404 -3.369 5.336 154 1HD2 LEU 468 HD21 LEU 468 7.784 -3.026 1.785 155 2HD2 LEU 468 HD22 LEU 468 8.799 -2.467 3.116 156 3HD2 LEU 468 HD23 LEU 468 7.324 -1.592 2.705 157 H ALA 469 HN ALA 469 4.724 -6.542 2.862 158 HA ALA 469 HA ALA 469 5.652 -9.103 3.384 159 1HB ALA 469 HB1 ALA 469 2.856 -8.519 2.442 160 2HB ALA 469 HB2 ALA 469 3.429 -8.058 4.044 161 3HB ALA 469 HB3 ALA 469 3.391 -9.756 3.577 162 H HIS 470 HN HIS 470 4.113 -7.843 0.431 163 HA HIS 470 HA HIS 470 4.414 -10.333 -0.957 164 1HB HIS 470 HB2 HIS 470 3.877 -7.690 -2.282 165 2HB HIS 470 HB1 HIS 470 3.350 -9.293 -2.774 166 HD1 HIS 470 HD1 HIS 470 1.164 -10.160 -1.790 167 HD2 HIS 470 HD2 HIS 470 2.374 -6.539 -0.176 168 HE1 HIS 470 HE1 HIS 470 -0.790 -9.346 -0.446 169 HE2 HIS 470 HE2 HIS 470 -0.077 -7.095 0.432 170 H MET 471 HN MET 471 5.877 -7.101 -1.472 171 HA MET 471 HA MET 471 7.653 -7.835 -3.466 172 1HB MET 471 HB2 MET 471 9.056 -5.870 -2.557 173 2HB MET 471 HB1 MET 471 7.448 -5.551 -3.188 174 1HG MET 471 HG2 MET 471 6.580 -5.107 -1.136 175 2HG MET 471 HG1 MET 471 7.762 -6.092 -0.289 176 1HE MET 471 HE1 MET 471 10.495 -4.688 -1.852 177 2HE MET 471 HE2 MET 471 10.235 -5.539 -0.327 178 3HE MET 471 HE3 MET 471 10.907 -3.904 -0.325 179 H MET 472 HN MET 472 7.983 -8.246 0.006 180 HA MET 472 HA MET 472 10.779 -8.902 -0.192 181 1HB MET 472 HB2 MET 472 10.818 -9.048 2.090 182 2HB MET 472 HB1 MET 472 9.439 -7.990 1.872 183 1HG MET 472 HG2 MET 472 7.916 -9.659 2.439 184 2HG MET 472 HG1 MET 472 9.079 -10.949 2.147 185 1HE MET 472 HE1 MET 472 9.773 -7.716 5.037 186 2HE MET 472 HE2 MET 472 8.218 -8.358 5.591 187 3HE MET 472 HE3 MET 472 8.401 -7.817 3.925 188 H ARG 473 HN ARG 473 8.042 -10.519 -1.086 189 HA ARG 473 HA ARG 473 9.009 -13.164 -0.352 190 1HB ARG 473 HB2 ARG 473 6.503 -12.189 -0.488 191 2HB ARG 473 HB1 ARG 473 6.631 -12.907 -2.087 192 1HG ARG 473 HG2 ARG 473 7.631 -14.892 -0.517 193 2HG ARG 473 HG1 ARG 473 6.411 -14.179 0.538 194 1HD ARG 473 HD2 ARG 473 4.762 -15.104 -0.633 195 2HD ARG 473 HD1 ARG 473 5.398 -14.460 -2.145 196 HE ARG 473 HE ARG 473 6.137 -16.557 -2.613 197 1HH1 ARG 473 HH11 ARG 473 5.939 -16.240 0.857 198 2HH1 ARG 473 HH12 ARG 473 6.432 -17.872 1.160 199 1HH2 ARG 473 HH21 ARG 473 6.786 -18.705 -2.216 200 2HH2 ARG 473 HH22 ARG 473 6.914 -19.271 -0.583 201 H SER 474 HN SER 474 8.108 -11.497 -3.407 202 HA SER 474 HA SER 474 9.910 -13.384 -4.782 203 1HB SER 474 HB2 SER 474 7.925 -12.285 -6.569 204 2HB SER 474 HB1 SER 474 8.278 -13.970 -6.195 205 HG SER 474 HG SER 474 6.762 -13.973 -4.667 206 H ARG 475 HN ARG 475 11.084 -12.651 -6.567 207 HA ARG 475 HA ARG 475 12.110 -10.048 -6.330 208 1HB ARG 475 HB2 ARG 475 13.584 -10.606 -8.092 209 2HB ARG 475 HB1 ARG 475 13.292 -12.106 -7.226 210 1HG ARG 475 HG2 ARG 475 11.753 -12.852 -8.915 211 2HG ARG 475 HG1 ARG 475 11.861 -11.302 -9.751 212 1HD ARG 475 HD2 ARG 475 13.241 -13.286 -10.646 213 2HD ARG 475 HD1 ARG 475 14.023 -11.714 -10.497 214 HE ARG 475 HE ARG 475 15.391 -12.575 -8.868 215 1HH1 ARG 475 HH11 ARG 475 12.773 -14.807 -9.464 216 2HH1 ARG 475 HH12 ARG 475 13.476 -16.076 -8.519 217 1HH2 ARG 475 HH21 ARG 475 16.314 -14.244 -7.624 218 2HH2 ARG 475 HH22 ARG 475 15.485 -15.756 -7.473 219 H ASP 476 HN ASP 476 9.691 -11.420 -8.485 220 HA ASP 476 HA ASP 476 9.560 -9.266 -10.297 221 1HB ASP 476 HB2 ASP 476 7.312 -11.156 -9.580 222 2HB ASP 476 HB1 ASP 476 7.515 -10.259 -11.082 223 H VAL 477 HN VAL 477 7.719 -10.103 -7.396 224 HA VAL 477 HA VAL 477 6.014 -7.902 -7.530 225 HB VAL 477 HB VAL 477 5.312 -9.621 -6.091 226 1HG1 VAL 477 HG11 VAL 477 6.548 -10.439 -4.188 227 2HG1 VAL 477 HG12 VAL 477 7.850 -9.296 -4.510 228 3HG1 VAL 477 HG13 VAL 477 7.514 -10.594 -5.650 229 1HG2 VAL 477 HG21 VAL 477 6.201 -7.265 -4.437 230 2HG2 VAL 477 HG22 VAL 477 5.075 -8.501 -3.882 231 3HG2 VAL 477 HG23 VAL 477 4.655 -7.479 -5.254 232 H ALA 478 HN ALA 478 9.228 -8.325 -6.189 233 HA ALA 478 HA ALA 478 9.480 -5.954 -4.737 234 1HB ALA 478 HB1 ALA 478 11.173 -7.740 -4.738 235 2HB ALA 478 HB2 ALA 478 11.879 -6.162 -5.090 236 3HB ALA 478 HB3 ALA 478 11.602 -7.315 -6.395 237 H LEU 479 HN LEU 479 9.788 -6.614 -8.190 238 HA LEU 479 HA LEU 479 10.676 -4.025 -8.932 239 1HB LEU 479 HB2 LEU 479 10.512 -4.758 -11.082 240 2HB LEU 479 HB1 LEU 479 10.452 -6.317 -10.281 241 HG LEU 479 HG LEU 479 7.835 -5.807 -10.335 242 1HD1 LEU 479 HD11 LEU 479 7.137 -4.633 -12.265 243 2HD1 LEU 479 HD12 LEU 479 8.789 -4.497 -12.867 244 3HD1 LEU 479 HD13 LEU 479 8.294 -3.590 -11.437 245 1HD2 LEU 479 HD21 LEU 479 9.396 -7.630 -11.455 246 2HD2 LEU 479 HD22 LEU 479 8.973 -6.740 -12.918 247 3HD2 LEU 479 HD23 LEU 479 7.704 -7.447 -11.917 248 H VAL 480 HN VAL 480 7.547 -5.469 -8.334 249 HA VAL 480 HA VAL 480 5.894 -3.450 -9.379 250 HB VAL 480 HB VAL 480 5.264 -5.236 -7.037 251 1HG1 VAL 480 HG11 VAL 480 2.945 -4.932 -7.727 252 2HG1 VAL 480 HG12 VAL 480 3.464 -3.866 -9.032 253 3HG1 VAL 480 HG13 VAL 480 3.699 -3.383 -7.352 254 1HG2 VAL 480 HG21 VAL 480 6.053 -6.539 -8.963 255 2HG2 VAL 480 HG22 VAL 480 4.847 -5.753 -9.980 256 3HG2 VAL 480 HG23 VAL 480 4.337 -6.799 -8.656 257 H VAL 481 HN VAL 481 7.423 -3.792 -6.231 258 HA VAL 481 HA VAL 481 5.999 -1.640 -5.058 259 HB VAL 481 HB VAL 481 6.831 -2.888 -3.366 260 1HG1 VAL 481 HG11 VAL 481 8.094 -4.450 -4.684 261 2HG1 VAL 481 HG12 VAL 481 9.054 -3.934 -3.300 262 3HG1 VAL 481 HG13 VAL 481 9.379 -3.262 -4.893 263 1HG2 VAL 481 HG21 VAL 481 8.317 -1.648 -2.117 264 2HG2 VAL 481 HG22 VAL 481 7.743 -0.461 -3.285 265 3HG2 VAL 481 HG23 VAL 481 9.308 -1.239 -3.517 266 H GLN 482 HN GLN 482 9.352 -1.842 -6.277 267 HA GLN 482 HA GLN 482 9.887 0.902 -5.892 268 1HB GLN 482 HB2 GLN 482 11.216 -1.371 -7.190 269 2HB GLN 482 HB1 GLN 482 11.624 0.198 -7.868 270 1HG GLN 482 HG2 GLN 482 11.805 -0.460 -4.940 271 2HG GLN 482 HG1 GLN 482 13.153 -0.588 -6.069 272 1HE2 GLN 482 HE21 GLN 482 14.117 1.261 -6.849 273 2HE2 GLN 482 HE22 GLN 482 13.819 2.825 -6.179 274 H GLU 483 HN GLU 483 8.752 -0.874 -8.735 275 HA GLU 483 HA GLU 483 8.912 1.415 -10.442 276 1HB GLU 483 HB2 GLU 483 7.616 -1.275 -10.845 277 2HB GLU 483 HB1 GLU 483 7.779 -0.049 -12.095 278 1HG GLU 483 HG2 GLU 483 10.343 -0.338 -11.089 279 2HG GLU 483 HG1 GLU 483 9.700 -1.979 -11.127 280 H ARG 484 HN ARG 484 6.165 -0.270 -8.895 281 HA ARG 484 HA ARG 484 4.394 1.755 -10.038 282 1HB ARG 484 HB2 ARG 484 3.923 -0.942 -8.831 283 2HB ARG 484 HB1 ARG 484 2.601 0.195 -9.034 284 1HG ARG 484 HG2 ARG 484 3.815 0.233 -11.496 285 2HG ARG 484 HG1 ARG 484 3.971 -1.453 -11.002 286 1HD ARG 484 HD2 ARG 484 1.897 -1.675 -11.816 287 2HD ARG 484 HD1 ARG 484 1.390 -0.911 -10.312 288 HE ARG 484 HE ARG 484 1.546 0.342 -12.947 289 1HH1 ARG 484 HH11 ARG 484 0.814 0.643 -9.540 290 2HH1 ARG 484 HH12 ARG 484 -0.049 2.129 -9.736 291 1HH2 ARG 484 HH21 ARG 484 0.412 2.294 -13.193 292 2HH2 ARG 484 HH22 ARG 484 -0.279 3.065 -11.804 293 H ILE 485 HN ILE 485 6.035 1.456 -7.133 294 HA ILE 485 HA ILE 485 4.031 3.196 -5.884 295 HB ILE 485 HB ILE 485 3.554 1.882 -4.178 296 1HG1 ILE 485 HG12 ILE 485 6.504 1.272 -3.884 297 2HG1 ILE 485 HG11 ILE 485 5.594 2.492 -3.000 298 1HG2 ILE 485 HG21 ILE 485 3.750 0.230 -6.093 299 2HG2 ILE 485 HG22 ILE 485 3.733 -0.437 -4.462 300 3HG2 ILE 485 HG23 ILE 485 5.250 -0.289 -5.343 301 1HD1 ILE 485 HD11 ILE 485 6.042 -0.203 -2.313 302 2HD1 ILE 485 HD12 ILE 485 4.316 -0.026 -2.669 303 3HD1 ILE 485 HD13 ILE 485 5.079 1.004 -1.454 304 H GLY 486 HN GLY 486 7.365 1.974 -5.626 305 1HA GLY 486 HA2 GLY 486 9.313 3.061 -5.073 306 2HA GLY 486 HA1 GLY 486 8.488 4.557 -5.488 307 H GLY 487 HN GLY 487 10.357 3.860 -3.257 308 1HA GLY 487 HA2 GLY 487 8.630 4.868 -1.093 309 2HA GLY 487 HA1 GLY 487 9.705 3.511 -0.793 310 H ARG 488 HN ARG 488 9.806 5.866 0.690 311 HA ARG 488 HA ARG 488 12.566 6.525 0.420 312 1HB ARG 488 HB2 ARG 488 11.381 7.984 -1.321 313 2HB ARG 488 HB1 ARG 488 10.689 8.850 0.044 314 1HG ARG 488 HG2 ARG 488 12.871 9.501 0.808 315 2HG ARG 488 HG1 ARG 488 13.642 8.504 -0.427 316 1HD ARG 488 HD2 ARG 488 11.811 10.827 -1.008 317 2HD ARG 488 HD1 ARG 488 13.571 10.932 -0.977 318 HE ARG 488 HE ARG 488 13.068 8.918 -2.731 319 1HH1 ARG 488 HH11 ARG 488 12.004 12.232 -2.476 320 2HH1 ARG 488 HH12 ARG 488 11.822 12.435 -4.186 321 1HH2 ARG 488 HH21 ARG 488 12.829 9.183 -4.980 322 2HH2 ARG 488 HH22 ARG 488 12.289 10.705 -5.608 323 H PHE 489 HN PHE 489 9.504 7.802 1.728 324 HA PHE 489 HA PHE 489 10.838 8.050 4.345 325 1HB PHE 489 HB2 PHE 489 9.925 10.154 3.181 326 2HB PHE 489 HB1 PHE 489 8.327 9.516 3.557 327 HD1 PHE 489 HD1 PHE 489 7.378 10.647 5.305 328 HD2 PHE 489 HD2 PHE 489 11.535 9.748 5.455 329 HE1 PHE 489 HE1 PHE 489 7.507 11.642 7.551 330 HE2 PHE 489 HE2 PHE 489 11.672 10.741 7.702 331 HZ PHE 489 HZ PHE 489 9.656 11.689 8.753 332 H ASN 490 HN ASN 490 10.341 6.357 5.573 333 HA ASN 490 HA ASN 490 7.655 5.829 6.338 334 1HB ASN 490 HB2 ASN 490 8.921 4.096 4.277 335 2HB ASN 490 HB1 ASN 490 8.008 3.295 5.550 336 1HD2 ASN 490 HD21 ASN 490 5.786 3.979 5.867 337 2HD2 ASN 490 HD22 ASN 490 4.872 4.523 4.506 338 H ILE 491 HN ILE 491 7.754 3.427 7.485 339 HA ILE 491 HA ILE 491 9.267 3.762 9.781 340 HB ILE 491 HB ILE 491 8.436 1.071 8.698 341 1HG1 ILE 491 HG12 ILE 491 6.481 2.451 8.559 342 2HG1 ILE 491 HG11 ILE 491 6.319 1.465 10.008 343 1HG2 ILE 491 HG21 ILE 491 9.798 0.816 10.612 344 2HG2 ILE 491 HG22 ILE 491 8.134 0.611 11.160 345 3HG2 ILE 491 HG23 ILE 491 8.980 2.129 11.458 346 1HD1 ILE 491 HD11 ILE 491 5.894 3.332 11.114 347 2HD1 ILE 491 HD12 ILE 491 6.338 4.324 9.726 348 3HD1 ILE 491 HD13 ILE 491 7.577 3.793 10.863 349 H GLU 492 HN GLU 492 11.051 2.386 10.606 350 HA GLU 492 HA GLU 492 13.319 2.560 9.004 351 1HB GLU 492 HB2 GLU 492 12.798 0.829 11.425 352 2HB GLU 492 HB1 GLU 492 14.385 1.065 10.707 353 1HG GLU 492 HG2 GLU 492 12.823 3.468 11.482 354 2HG GLU 492 HG1 GLU 492 13.560 2.496 12.756 355 H GLU 493 HN GLU 493 11.343 -0.301 9.764 356 HA GLU 493 HA GLU 493 12.875 -2.048 8.101 357 1HB GLU 493 HB2 GLU 493 10.083 -2.829 8.611 358 2HB GLU 493 HB1 GLU 493 11.564 -3.715 8.931 359 1HG GLU 493 HG2 GLU 493 10.887 -3.403 11.061 360 2HG GLU 493 HG1 GLU 493 11.772 -1.897 10.856 361 H HIS 494 HN HIS 494 9.688 -0.649 7.834 362 HA HIS 494 HA HIS 494 8.962 -1.489 5.325 363 1HB HIS 494 HB2 HIS 494 8.403 1.237 6.508 364 2HB HIS 494 HB1 HIS 494 7.500 0.475 5.204 365 HD1 HIS 494 HD1 HIS 494 5.669 1.147 7.282 366 HD2 HIS 494 HD2 HIS 494 8.006 -2.271 7.635 367 HE1 HIS 494 HE1 HIS 494 4.482 -0.311 8.954 368 HE2 HIS 494 HE2 HIS 494 5.870 -2.409 9.087 369 H ARG 495 HN ARG 495 10.958 1.300 6.180 370 HA ARG 495 HA ARG 495 11.281 2.169 3.479 371 1HB ARG 495 HB2 ARG 495 11.603 3.494 5.710 372 2HB ARG 495 HB1 ARG 495 13.234 2.838 5.654 373 1HG ARG 495 HG2 ARG 495 12.199 4.155 3.208 374 2HG ARG 495 HG1 ARG 495 12.603 5.178 4.587 375 1HD ARG 495 HD2 ARG 495 14.838 4.040 4.654 376 2HD ARG 495 HD1 ARG 495 14.412 3.260 3.130 377 HE ARG 495 HE ARG 495 14.171 6.126 3.077 378 1HH1 ARG 495 HH11 ARG 495 16.341 3.427 2.644 379 2HH1 ARG 495 HH12 ARG 495 17.424 4.301 1.615 380 1HH2 ARG 495 HH21 ARG 495 15.595 7.278 1.722 381 2HH2 ARG 495 HH22 ARG 495 17.002 6.488 1.091 382 H ALA 496 HN ALA 496 13.178 0.198 5.719 383 HA ALA 496 HA ALA 496 15.401 -0.117 3.963 384 1HB ALA 496 HB1 ALA 496 15.999 -0.493 6.150 385 2HB ALA 496 HB2 ALA 496 15.835 -2.140 5.538 386 3HB ALA 496 HB3 ALA 496 14.541 -1.422 6.502 387 H LEU 497 HN LEU 497 12.318 -1.645 4.220 388 HA LEU 497 HA LEU 497 13.046 -4.078 2.890 389 1HB LEU 497 HB2 LEU 497 10.650 -2.892 4.027 390 2HB LEU 497 HB1 LEU 497 10.313 -3.650 2.483 391 HG LEU 497 HG LEU 497 9.969 -5.101 4.512 392 1HD1 LEU 497 HD11 LEU 497 11.330 -7.033 3.462 393 2HD1 LEU 497 HD12 LEU 497 11.731 -5.846 2.220 394 3HD1 LEU 497 HD13 LEU 497 10.048 -6.269 2.523 395 1HD2 LEU 497 HD21 LEU 497 12.141 -6.191 5.309 396 2HD2 LEU 497 HD22 LEU 497 11.750 -4.591 5.939 397 3HD2 LEU 497 HD23 LEU 497 12.948 -4.766 4.658 398 H ALA 498 HN ALA 498 11.238 -1.174 1.949 399 HA ALA 498 HA ALA 498 11.027 -1.705 -0.796 400 1HB ALA 498 HB1 ALA 498 10.915 0.722 0.919 401 2HB ALA 498 HB2 ALA 498 9.738 0.088 -0.234 402 3HB ALA 498 HB3 ALA 498 11.158 0.960 -0.813 403 H ALA 499 HN ALA 499 13.572 -0.356 1.221 404 HA ALA 499 HA ALA 499 15.314 0.462 -0.890 405 1HB ALA 499 HB1 ALA 499 15.249 1.050 1.723 406 2HB ALA 499 HB2 ALA 499 16.702 1.208 0.738 407 3HB ALA 499 HB3 ALA 499 16.467 -0.226 1.742 408 H TYR 500 HN TYR 500 15.092 -2.417 1.228 409 HA TYR 500 HA TYR 500 17.419 -3.683 0.546 410 1HB TYR 500 HB2 TYR 500 14.664 -4.774 1.048 411 2HB TYR 500 HB1 TYR 500 16.006 -5.852 0.689 412 HD1 TYR 500 HD1 TYR 500 14.249 -5.622 3.210 413 HD2 TYR 500 HD2 TYR 500 18.098 -4.126 2.207 414 HE1 TYR 500 HE1 TYR 500 14.846 -5.631 5.576 415 HE2 TYR 500 HE2 TYR 500 18.721 -4.115 4.579 416 HH TYR 500 HH TYR 500 17.416 -3.962 6.808 417 H ILE 501 HN ILE 501 14.303 -4.109 -1.125 418 HA ILE 501 HA ILE 501 15.153 -5.709 -3.212 419 HB ILE 501 HB ILE 501 13.246 -4.730 -4.513 420 1HG1 ILE 501 HG12 ILE 501 12.872 -3.093 -1.997 421 2HG1 ILE 501 HG11 ILE 501 13.380 -2.456 -3.558 422 1HG2 ILE 501 HG21 ILE 501 11.566 -5.745 -3.162 423 2HG2 ILE 501 HG22 ILE 501 12.509 -5.487 -1.694 424 3HG2 ILE 501 HG23 ILE 501 13.062 -6.643 -2.906 425 1HD1 ILE 501 HD11 ILE 501 11.272 -2.175 -4.116 426 2HD1 ILE 501 HD12 ILE 501 10.763 -2.847 -2.567 427 3HD1 ILE 501 HD13 ILE 501 10.996 -3.908 -3.956 428 H TYR 502 HN TYR 502 15.191 -2.174 -2.943 429 HA TYR 502 HA TYR 502 15.851 -1.409 -5.483 430 1HB TYR 502 HB2 TYR 502 15.535 0.098 -3.488 431 2HB TYR 502 HB1 TYR 502 17.188 -0.285 -3.018 432 HD1 TYR 502 HD1 TYR 502 18.302 1.759 -3.255 433 HD2 TYR 502 HD2 TYR 502 15.857 0.340 -6.433 434 HE1 TYR 502 HE1 TYR 502 19.138 3.567 -4.697 435 HE2 TYR 502 HE2 TYR 502 16.686 2.143 -7.885 436 HH TYR 502 HH TYR 502 19.365 4.109 -7.027 437 H ALA 503 HN ALA 503 18.239 -2.195 -2.950 438 HA ALA 503 HA ALA 503 20.411 -2.264 -4.808 439 1HB ALA 503 HB1 ALA 503 21.389 -3.557 -2.647 440 2HB ALA 503 HB2 ALA 503 20.051 -2.670 -1.916 441 3HB ALA 503 HB3 ALA 503 21.309 -1.802 -2.795 442 H PHE 504 HN PHE 504 18.298 -4.671 -3.337 443 HA PHE 504 HA PHE 504 19.699 -6.973 -3.964 444 1HB PHE 504 HB2 PHE 504 16.880 -6.299 -3.407 445 2HB PHE 504 HB1 PHE 504 17.163 -7.835 -4.218 446 HD1 PHE 504 HD1 PHE 504 16.699 -9.395 -2.573 447 HD2 PHE 504 HD2 PHE 504 19.294 -6.145 -1.697 448 HE1 PHE 504 HE1 PHE 504 17.266 -10.434 -0.427 449 HE2 PHE 504 HE2 PHE 504 19.874 -7.182 0.458 450 HZ PHE 504 HZ PHE 504 18.859 -9.333 1.093 451 H TYR 505 HN TYR 505 17.922 -4.851 -6.093 452 HA TYR 505 HA TYR 505 17.346 -6.610 -8.181 453 1HB TYR 505 HB2 TYR 505 18.226 -3.725 -8.451 454 2HB TYR 505 HB1 TYR 505 17.340 -4.656 -9.650 455 HD1 TYR 505 HD1 TYR 505 16.517 -1.984 -8.466 456 HD2 TYR 505 HD2 TYR 505 15.571 -5.980 -7.372 457 HE1 TYR 505 HE1 TYR 505 14.396 -1.209 -7.491 458 HE2 TYR 505 HE2 TYR 505 13.447 -5.217 -6.396 459 HH TYR 505 HH TYR 505 12.758 -2.454 -5.434 460 H GLU 506 HN GLU 506 20.268 -4.711 -7.561 461 HA GLU 506 HA GLU 506 21.691 -5.721 -9.816 462 1HB GLU 506 HB2 GLU 506 22.045 -3.631 -8.053 463 2HB GLU 506 HB1 GLU 506 23.324 -4.744 -7.589 464 1HG GLU 506 HG2 GLU 506 24.532 -4.261 -9.388 465 2HG GLU 506 HG1 GLU 506 23.145 -4.428 -10.463 466 H GLU 507 HN GLU 507 21.294 -6.687 -6.492 467 HA GLU 507 HA GLU 507 23.513 -8.469 -6.409 468 1HB GLU 507 HB2 GLU 507 21.116 -8.055 -4.663 469 2HB GLU 507 HB1 GLU 507 22.255 -9.356 -4.356 470 1HG GLU 507 HG2 GLU 507 23.510 -6.748 -4.747 471 2HG GLU 507 HG1 GLU 507 22.434 -6.831 -3.352 472 H GLY 508 HN GLY 508 20.012 -9.289 -6.265 473 1HA GLY 508 HA2 GLY 508 20.741 -11.960 -7.245 474 2HA GLY 508 HA1 GLY 508 19.252 -11.544 -6.418 475 H HIS 509 HN HIS 509 18.767 -9.210 -8.086 476 HA HIS 509 HA HIS 509 18.294 -8.661 -10.346 477 1HB HIS 509 HB2 HIS 509 17.903 -11.638 -10.750 478 2HB HIS 509 HB1 HIS 509 17.635 -10.399 -11.967 479 HD1 HIS 509 HD1 HIS 509 19.477 -11.748 -13.359 480 HD2 HIS 509 HD2 HIS 509 20.838 -9.816 -9.936 481 HE1 HIS 509 HE1 HIS 509 21.979 -11.641 -13.596 482 HE2 HIS 509 HE2 HIS 509 22.785 -10.534 -11.481 483 H GLU 510 HN GLU 510 16.644 -7.552 -9.626 484 HA GLU 510 HA GLU 510 14.434 -6.980 -9.543 485 1HB GLU 510 HB2 GLU 510 14.171 -9.754 -10.357 486 2HB GLU 510 HB1 GLU 510 12.922 -9.302 -9.210 487 1HG GLU 510 HG2 GLU 510 11.938 -7.847 -10.634 488 2HG GLU 510 HG1 GLU 510 13.454 -7.429 -11.431 489 H ALA 511 HN ALA 511 15.600 -9.633 -7.508 490 HA ALA 511 HA ALA 511 15.680 -8.454 -5.133 491 1HB ALA 511 HB1 ALA 511 12.883 -8.650 -5.858 492 2HB ALA 511 HB2 ALA 511 13.659 -7.719 -4.580 493 3HB ALA 511 HB3 ALA 511 13.229 -9.407 -4.307 494 H ASP 512 HN ASP 512 14.952 -9.938 -3.200 495 HA ASP 512 HA ASP 512 14.966 -12.761 -3.693 496 1HB ASP 512 HB2 ASP 512 17.464 -11.341 -2.815 497 2HB ASP 512 HB1 ASP 512 17.131 -12.968 -2.228 498 HA PRO 513 HA PRO 513 12.750 -11.899 0.105 499 1HB PRO 513 HB2 PRO 513 11.895 -14.452 0.562 500 2HB PRO 513 HB1 PRO 513 11.128 -13.353 -0.585 501 1HG PRO 513 HG2 PRO 513 13.093 -15.547 -1.098 502 2HG PRO 513 HG1 PRO 513 11.634 -15.115 -2.006 503 1HD PRO 513 HD2 PRO 513 14.099 -14.406 -2.834 504 2HD PRO 513 HD1 PRO 513 12.679 -13.375 -3.106 505 H GLY 514 HN GLY 514 14.449 -15.047 0.136 506 1HA GLY 514 HA2 GLY 514 14.877 -15.064 2.906 507 2HA GLY 514 HA1 GLY 514 15.756 -16.034 1.738 508 H ALA 515 HN ALA 515 16.566 -13.328 0.463 509 HA ALA 515 HA ALA 515 19.031 -13.170 1.923 510 1HB ALA 515 HB1 ALA 515 18.026 -12.170 -0.657 511 2HB ALA 515 HB2 ALA 515 19.559 -12.940 -0.249 512 3HB ALA 515 HB3 ALA 515 19.311 -11.232 0.105 513 H LEU 516 HN LEU 516 16.447 -10.773 1.202 514 HA LEU 516 HA LEU 516 17.729 -8.821 2.850 515 1HB LEU 516 HB2 LEU 516 15.932 -7.353 2.360 516 2HB LEU 516 HB1 LEU 516 16.378 -8.198 0.897 517 HG LEU 516 HG LEU 516 14.334 -9.752 1.920 518 1HD1 LEU 516 HD11 LEU 516 14.007 -7.748 3.507 519 2HD1 LEU 516 HD12 LEU 516 12.602 -8.411 2.672 520 3HD1 LEU 516 HD13 LEU 516 13.360 -6.931 2.084 521 1HD2 LEU 516 HD21 LEU 516 14.858 -8.020 -0.346 522 2HD2 LEU 516 HD22 LEU 516 13.154 -7.976 0.115 523 3HD2 LEU 516 HD23 LEU 516 13.921 -9.515 -0.265 524 H ILE 517 HN ILE 517 15.016 -11.070 3.417 525 HA ILE 517 HA ILE 517 14.110 -9.899 5.797 526 HB ILE 517 HB ILE 517 14.259 -12.893 5.556 527 1HG1 ILE 517 HG12 ILE 517 13.190 -12.637 3.547 528 2HG1 ILE 517 HG11 ILE 517 11.803 -12.472 4.604 529 1HG2 ILE 517 HG21 ILE 517 12.461 -12.913 7.037 530 2HG2 ILE 517 HG22 ILE 517 12.018 -11.242 6.681 531 3HG2 ILE 517 HG23 ILE 517 13.467 -11.590 7.628 532 1HD1 ILE 517 HD11 ILE 517 11.584 -10.767 3.032 533 2HD1 ILE 517 HD12 ILE 517 13.283 -10.330 3.136 534 3HD1 ILE 517 HD13 ILE 517 12.201 -9.966 4.475 535 H SER 518 HN SER 518 16.948 -11.733 5.057 536 HA SER 518 HA SER 518 17.678 -12.053 7.851 537 1HB SER 518 HB2 SER 518 18.593 -13.154 5.273 538 2HB SER 518 HB1 SER 518 19.876 -12.853 6.444 539 HG SER 518 HG SER 518 19.092 -14.369 7.718 540 H ARG 519 HN ARG 519 17.479 -9.365 6.372 541 HA ARG 519 HA ARG 519 20.187 -8.420 7.037 542 1HB ARG 519 HB2 ARG 519 18.275 -7.547 4.874 543 2HB ARG 519 HB1 ARG 519 19.527 -6.467 5.471 544 1HG ARG 519 HG2 ARG 519 21.245 -8.029 4.792 545 2HG ARG 519 HG1 ARG 519 20.017 -9.183 4.270 546 1HD ARG 519 HD2 ARG 519 19.717 -8.136 2.321 547 2HD ARG 519 HD1 ARG 519 19.659 -6.550 3.086 548 HE ARG 519 HE ARG 519 21.949 -7.822 1.876 549 1HH1 ARG 519 HH11 ARG 519 20.854 -5.358 4.095 550 2HH1 ARG 519 HH12 ARG 519 22.296 -4.410 3.948 551 1HH2 ARG 519 HH21 ARG 519 23.846 -6.577 1.685 552 2HH2 ARG 519 HH22 ARG 519 23.994 -5.102 2.580 553 H ILE 520 HN ILE 520 16.755 -7.740 6.910 554 HA ILE 520 HA ILE 520 16.409 -5.402 8.188 555 HB ILE 520 HB ILE 520 14.574 -7.026 9.513 556 1HG1 ILE 520 HG12 ILE 520 14.786 -8.042 6.703 557 2HG1 ILE 520 HG11 ILE 520 15.574 -8.851 8.057 558 1HG2 ILE 520 HG21 ILE 520 14.523 -5.125 7.306 559 2HG2 ILE 520 HG22 ILE 520 13.370 -5.335 8.614 560 3HG2 ILE 520 HG23 ILE 520 13.268 -6.342 7.176 561 1HD1 ILE 520 HD11 ILE 520 12.922 -9.082 7.182 562 2HD1 ILE 520 HD12 ILE 520 12.905 -8.294 8.773 563 3HD1 ILE 520 HD13 ILE 520 13.698 -9.857 8.565 564 HA PRO 521 HA PRO 521 18.994 -6.352 11.817 565 1HB PRO 521 HB2 PRO 521 18.842 -3.421 12.117 566 2HB PRO 521 HB1 PRO 521 20.257 -4.472 12.017 567 1HG PRO 521 HG2 PRO 521 19.574 -2.876 9.983 568 2HG PRO 521 HG1 PRO 521 20.243 -4.496 9.702 569 1HD PRO 521 HD2 PRO 521 17.390 -3.580 9.580 570 2HD PRO 521 HD1 PRO 521 18.268 -4.665 8.483 571 H GLY 522 HN GLY 522 18.423 -6.728 13.832 572 1HA GLY 522 HA2 GLY 522 17.042 -6.956 15.650 573 2HA GLY 522 HA1 GLY 522 17.092 -5.202 15.631 574 H GLU 523 HN GLU 523 15.202 -4.227 15.581 575 HA GLU 523 HA GLU 523 12.761 -5.566 15.512 576 1HB GLU 523 HB2 GLU 523 13.269 -2.637 14.990 577 2HB GLU 523 HB1 GLU 523 11.733 -3.353 15.459 578 1HG GLU 523 HG2 GLU 523 12.429 -3.756 17.623 579 2HG GLU 523 HG1 GLU 523 14.138 -3.711 17.191 580 H LEU 524 HN LEU 524 14.706 -4.710 12.846 581 HA LEU 524 HA LEU 524 12.620 -4.240 10.979 582 1HB LEU 524 HB2 LEU 524 15.427 -4.036 11.020 583 2HB LEU 524 HB1 LEU 524 15.067 -5.230 9.814 584 HG LEU 524 HG LEU 524 13.386 -3.475 8.920 585 1HD1 LEU 524 HD11 LEU 524 13.508 -2.006 10.805 586 2HD1 LEU 524 HD12 LEU 524 14.115 -1.178 9.369 587 3HD1 LEU 524 HD13 LEU 524 15.243 -1.796 10.572 588 1HD2 LEU 524 HD21 LEU 524 15.990 -2.355 8.289 589 2HD2 LEU 524 HD22 LEU 524 14.848 -3.187 7.232 590 3HD2 LEU 524 HD23 LEU 524 15.993 -4.113 8.205 591 H GLN 525 HN GLN 525 14.317 -6.944 12.308 592 HA GLN 525 HA GLN 525 13.584 -8.891 10.416 593 1HB GLN 525 HB2 GLN 525 14.773 -8.859 13.096 594 2HB GLN 525 HB1 GLN 525 13.906 -10.331 12.675 595 1HG GLN 525 HG2 GLN 525 15.486 -10.989 11.261 596 2HG GLN 525 HG1 GLN 525 15.625 -9.385 10.546 597 1HE2 GLN 525 HE21 GLN 525 17.823 -9.494 10.421 598 2HE2 GLN 525 HE22 GLN 525 18.846 -9.377 11.811 599 HA PRO 526 HA PRO 526 10.068 -10.082 13.551 600 1HB PRO 526 HB2 PRO 526 9.209 -7.879 15.020 601 2HB PRO 526 HB1 PRO 526 10.181 -9.215 15.642 602 1HG PRO 526 HG2 PRO 526 11.031 -6.510 14.739 603 2HG PRO 526 HG1 PRO 526 11.672 -7.512 16.053 604 1HD PRO 526 HD2 PRO 526 12.950 -7.248 13.705 605 2HD PRO 526 HD1 PRO 526 12.991 -8.764 14.625 606 H LEU 527 HN LEU 527 10.206 -6.668 12.408 607 HA LEU 527 HA LEU 527 7.435 -6.635 11.751 608 1HB LEU 527 HB2 LEU 527 9.746 -4.860 11.367 609 2HB LEU 527 HB1 LEU 527 8.469 -4.691 10.177 610 HG LEU 527 HG LEU 527 7.207 -4.767 12.707 611 1HD1 LEU 527 HD11 LEU 527 8.428 -2.507 13.434 612 2HD1 LEU 527 HD12 LEU 527 9.803 -3.359 12.730 613 3HD1 LEU 527 HD13 LEU 527 8.893 -4.094 14.050 614 1HD2 LEU 527 HD21 LEU 527 7.360 -2.106 11.744 615 2HD2 LEU 527 HD22 LEU 527 6.026 -3.251 11.605 616 3HD2 LEU 527 HD23 LEU 527 7.261 -3.179 10.349 617 H ALA 528 HN ALA 528 10.306 -6.825 9.632 618 HA ALA 528 HA ALA 528 8.752 -7.341 7.310 619 1HB ALA 528 HB1 ALA 528 10.685 -6.473 6.605 620 2HB ALA 528 HB2 ALA 528 11.229 -8.148 6.604 621 3HB ALA 528 HB3 ALA 528 11.593 -7.101 7.976 622 H SER 529 HN SER 529 10.726 -9.469 9.399 623 HA SER 529 HA SER 529 10.468 -11.810 7.923 624 1HB SER 529 HB2 SER 529 11.897 -11.462 9.994 625 2HB SER 529 HB1 SER 529 10.435 -11.724 10.946 626 HG SER 529 HG SER 529 11.899 -13.526 9.386 627 H GLU 530 HN GLU 530 8.328 -10.520 10.462 628 HA GLU 530 HA GLU 530 6.443 -12.642 10.274 629 1HB GLU 530 HB2 GLU 530 6.406 -9.888 11.456 630 2HB GLU 530 HB1 GLU 530 4.900 -10.775 11.291 631 1HG GLU 530 HG2 GLU 530 5.963 -10.990 13.516 632 2HG GLU 530 HG1 GLU 530 5.687 -12.528 12.700 633 H LEU 531 HN LEU 531 7.015 -9.690 8.545 634 HA LEU 531 HA LEU 531 4.465 -9.557 7.261 635 1HB LEU 531 HB2 LEU 531 6.830 -7.963 7.397 636 2HB LEU 531 HB1 LEU 531 6.399 -8.196 5.717 637 HG LEU 531 HG LEU 531 4.236 -7.216 6.049 638 1HD1 LEU 531 HD11 LEU 531 4.973 -7.047 8.970 639 2HD1 LEU 531 HD12 LEU 531 3.762 -8.117 8.265 640 3HD1 LEU 531 HD13 LEU 531 3.522 -6.371 8.229 641 1HD2 LEU 531 HD21 LEU 531 4.972 -5.082 6.118 642 2HD2 LEU 531 HD22 LEU 531 6.548 -5.871 6.076 643 3HD2 LEU 531 HD23 LEU 531 5.875 -5.322 7.612 644 H SER 532 HN SER 532 7.270 -11.449 6.695 645 HA SER 532 HA SER 532 7.452 -11.637 3.988 646 1HB SER 532 HB2 SER 532 7.848 -13.595 6.191 647 2HB SER 532 HB1 SER 532 7.770 -14.247 4.554 648 HG SER 532 HG SER 532 9.722 -12.727 5.760 649 H LEU 533 HN LEU 533 4.823 -12.632 5.954 650 HA LEU 533 HA LEU 533 3.200 -13.110 3.631 651 1HB LEU 533 HB2 LEU 533 4.357 -15.345 4.662 652 2HB LEU 533 HB1 LEU 533 2.896 -15.266 5.628 653 HG LEU 533 HG LEU 533 2.403 -16.683 3.798 654 1HD1 LEU 533 HD11 LEU 533 0.457 -15.532 3.977 655 2HD1 LEU 533 HD12 LEU 533 0.892 -15.045 2.339 656 3HD1 LEU 533 HD13 LEU 533 1.220 -13.968 3.695 657 1HD2 LEU 533 HD21 LEU 533 4.038 -14.757 2.294 658 2HD2 LEU 533 HD22 LEU 533 2.653 -15.423 1.427 659 3HD2 LEU 533 HD23 LEU 533 3.871 -16.502 2.106 660 H LEU 534 HN LEU 534 3.207 -11.031 5.422 661 HA LEU 534 HA LEU 534 1.596 -11.330 7.667 662 1HB LEU 534 HB2 LEU 534 2.117 -9.183 7.897 663 2HB LEU 534 HB1 LEU 534 2.853 -9.224 6.309 664 HG LEU 534 HG LEU 534 0.528 -8.694 5.396 665 1HD1 LEU 534 HD11 LEU 534 0.102 -8.391 8.328 666 2HD1 LEU 534 HD12 LEU 534 -0.991 -9.004 7.087 667 3HD1 LEU 534 HD13 LEU 534 -0.703 -7.270 7.230 668 1HD2 LEU 534 HD21 LEU 534 2.406 -7.113 5.473 669 2HD2 LEU 534 HD22 LEU 534 1.916 -6.631 7.096 670 3HD2 LEU 534 HD23 LEU 534 0.852 -6.318 5.725 671 H LEU 535 HN LEU 535 0.762 -10.707 4.313 672 HA LEU 535 HA LEU 535 -1.753 -11.933 4.633 673 1HB LEU 535 HB2 LEU 535 -3.263 -10.169 4.420 674 2HB LEU 535 HB1 LEU 535 -2.114 -9.616 5.620 675 HG LEU 535 HG LEU 535 -1.180 -8.727 3.086 676 1HD1 LEU 535 HD11 LEU 535 -4.076 -8.052 3.585 677 2HD1 LEU 535 HD12 LEU 535 -3.467 -9.064 2.276 678 3HD1 LEU 535 HD13 LEU 535 -3.042 -7.354 2.338 679 1HD2 LEU 535 HD21 LEU 535 -2.011 -7.618 5.679 680 2HD2 LEU 535 HD22 LEU 535 -2.129 -6.507 4.316 681 3HD2 LEU 535 HD23 LEU 535 -0.588 -7.272 4.698 682 H ILE 536 HN ILE 536 0.444 -12.334 3.010 683 HA ILE 536 HA ILE 536 -0.531 -11.568 0.346 684 HB ILE 536 HB ILE 536 1.637 -11.691 -0.505 685 1HG1 ILE 536 HG12 ILE 536 2.302 -13.363 1.914 686 2HG1 ILE 536 HG11 ILE 536 2.427 -13.808 0.217 687 1HG2 ILE 536 HG21 ILE 536 1.197 -9.897 1.310 688 2HG2 ILE 536 HG22 ILE 536 2.843 -10.132 0.713 689 3HG2 ILE 536 HG23 ILE 536 2.354 -10.822 2.265 690 1HD1 ILE 536 HD11 ILE 536 4.625 -13.472 0.964 691 2HD1 ILE 536 HD12 ILE 536 4.199 -11.968 1.784 692 3HD1 ILE 536 HD13 ILE 536 4.216 -12.039 0.022 693 H ALA 537 HN ALA 537 0.933 -13.612 -1.050 694 HA ALA 537 HA ALA 537 0.071 -16.154 0.016 695 1HB ALA 537 HB1 ALA 537 -1.104 -15.559 -2.641 696 2HB ALA 537 HB2 ALA 537 -1.887 -14.876 -1.216 697 3HB ALA 537 HB3 ALA 537 -1.681 -16.623 -1.358 698 H ASP 538 HN ASP 538 0.169 -17.762 -2.139 699 HA ASP 538 HA ASP 538 2.797 -18.280 -2.623 700 1HB ASP 538 HB2 ASP 538 0.695 -19.619 -3.318 701 2HB ASP 538 HB1 ASP 538 0.769 -18.689 -4.811 702 H ASP 539 HN ASP 539 0.750 -15.968 -4.237 703 HA ASP 539 HA ASP 539 3.103 -14.725 -5.412 704 1HB ASP 539 HB2 ASP 539 1.675 -14.322 -7.521 705 2HB ASP 539 HB1 ASP 539 2.495 -15.867 -7.335 706 H VAL 540 HN VAL 540 2.837 -13.148 -3.926 707 HA VAL 540 HA VAL 540 1.963 -11.340 -2.848 708 HB VAL 540 HB VAL 540 1.237 -10.681 -5.704 709 1HG1 VAL 540 HG11 VAL 540 0.638 -8.601 -5.103 710 2HG1 VAL 540 HG12 VAL 540 1.891 -8.485 -3.870 711 3HG1 VAL 540 HG13 VAL 540 0.372 -9.305 -3.510 712 1HG2 VAL 540 HG21 VAL 540 3.481 -10.879 -5.871 713 2HG2 VAL 540 HG22 VAL 540 3.745 -10.613 -4.148 714 3HG2 VAL 540 HG23 VAL 540 3.428 -9.244 -5.214 715 H SER 541 HN SER 541 -0.484 -10.732 -5.175 716 HA SER 541 HA SER 541 -2.731 -12.009 -4.676 717 1HB SER 541 HB2 SER 541 -2.501 -11.862 -2.249 718 2HB SER 541 HB1 SER 541 -2.300 -10.112 -2.342 719 HG SER 541 HG SER 541 -4.502 -11.207 -1.888 720 H GLU 542 HN GLU 542 -3.342 -11.152 -6.562 721 HA GLU 542 HA GLU 542 -2.886 -8.690 -7.599 722 1HB GLU 542 HB2 GLU 542 -4.048 -10.870 -8.537 723 2HB GLU 542 HB1 GLU 542 -5.505 -9.930 -8.249 724 1HG GLU 542 HG2 GLU 542 -3.436 -8.417 -9.620 725 2HG GLU 542 HG1 GLU 542 -3.940 -9.857 -10.503 726 H GLN 543 HN GLN 543 -5.977 -9.516 -5.948 727 HA GLN 543 HA GLN 543 -7.197 -7.064 -6.337 728 1HB GLN 543 HB2 GLN 543 -8.330 -9.059 -5.440 729 2HB GLN 543 HB1 GLN 543 -7.478 -8.850 -3.917 730 1HG GLN 543 HG2 GLN 543 -8.649 -6.400 -4.293 731 2HG GLN 543 HG1 GLN 543 -9.854 -7.513 -4.936 732 1HE2 GLN 543 HE21 GLN 543 -9.857 -9.619 -3.405 733 2HE2 GLN 543 HE22 GLN 543 -10.157 -9.235 -1.748 734 H GLU 544 HN GLU 544 -5.256 -8.034 -3.501 735 HA GLU 544 HA GLU 544 -5.430 -5.405 -2.373 736 1HB GLU 544 HB2 GLU 544 -3.511 -6.388 -0.881 737 2HB GLU 544 HB1 GLU 544 -5.171 -6.925 -0.679 738 1HG GLU 544 HG2 GLU 544 -4.755 -8.946 -1.810 739 2HG GLU 544 HG1 GLU 544 -3.193 -8.378 -2.402 740 H LEU 545 HN LEU 545 -3.106 -7.156 -4.331 741 HA LEU 545 HA LEU 545 -0.889 -5.565 -3.987 742 1HB LEU 545 HB2 LEU 545 -1.002 -7.676 -5.302 743 2HB LEU 545 HB1 LEU 545 -1.759 -6.773 -6.600 744 HG LEU 545 HG LEU 545 0.259 -5.400 -6.835 745 1HD1 LEU 545 HD11 LEU 545 0.925 -6.675 -4.314 746 2HD1 LEU 545 HD12 LEU 545 1.568 -5.207 -5.041 747 3HD1 LEU 545 HD13 LEU 545 2.235 -6.777 -5.488 748 1HD2 LEU 545 HD21 LEU 545 1.411 -8.111 -6.887 749 2HD2 LEU 545 HD22 LEU 545 1.273 -6.908 -8.169 750 3HD2 LEU 545 HD23 LEU 545 -0.117 -7.909 -7.747 751 H GLU 546 HN GLU 546 -3.460 -5.179 -6.407 752 HA GLU 546 HA GLU 546 -2.407 -2.741 -7.432 753 1HB GLU 546 HB2 GLU 546 -4.423 -4.573 -8.153 754 2HB GLU 546 HB1 GLU 546 -5.220 -3.018 -7.956 755 1HG GLU 546 HG2 GLU 546 -4.630 -2.829 -10.128 756 2HG GLU 546 HG1 GLU 546 -3.151 -2.203 -9.399 757 H ASP 547 HN ASP 547 -4.771 -3.538 -4.956 758 HA ASP 547 HA ASP 547 -5.872 -0.923 -4.779 759 1HB ASP 547 HB2 ASP 547 -5.883 -3.168 -2.762 760 2HB ASP 547 HB1 ASP 547 -6.821 -1.681 -2.615 761 H TYR 548 HN TYR 548 -3.538 -2.583 -2.633 762 HA TYR 548 HA TYR 548 -3.159 -0.217 -1.113 763 1HB TYR 548 HB2 TYR 548 -1.630 -1.419 0.217 764 2HB TYR 548 HB1 TYR 548 -2.903 -2.542 -0.227 765 HD1 TYR 548 HD1 TYR 548 -1.459 -2.674 -3.159 766 HD2 TYR 548 HD2 TYR 548 -0.358 -3.452 0.858 767 HE1 TYR 548 HE1 TYR 548 0.252 -4.222 -3.946 768 HE2 TYR 548 HE2 TYR 548 1.342 -5.031 0.084 769 HH TYR 548 HH TYR 548 1.471 -6.449 -2.607 770 H ILE 549 HN ILE 549 -1.576 -1.393 -4.020 771 HA ILE 549 HA ILE 549 0.789 0.191 -3.672 772 HB ILE 549 HB ILE 549 -0.490 -0.862 -6.213 773 1HG1 ILE 549 HG12 ILE 549 2.104 -1.717 -4.939 774 2HG1 ILE 549 HG11 ILE 549 0.571 -2.460 -4.515 775 1HG2 ILE 549 HG21 ILE 549 1.912 -0.333 -7.083 776 2HG2 ILE 549 HG22 ILE 549 1.934 0.823 -5.748 777 3HG2 ILE 549 HG23 ILE 549 0.704 0.951 -7.008 778 1HD1 ILE 549 HD11 ILE 549 1.702 -2.350 -7.297 779 2HD1 ILE 549 HD12 ILE 549 0.257 -3.217 -6.776 780 3HD1 ILE 549 HD13 ILE 549 1.846 -3.726 -6.203 781 H ARG 550 HN ARG 550 -2.346 0.595 -5.247 782 HA ARG 550 HA ARG 550 -1.971 3.148 -6.305 783 1HB ARG 550 HB2 ARG 550 -4.253 1.437 -5.624 784 2HB ARG 550 HB1 ARG 550 -4.608 3.153 -5.490 785 1HG ARG 550 HG2 ARG 550 -4.586 3.459 -7.704 786 2HG ARG 550 HG1 ARG 550 -3.179 2.420 -7.932 787 1HD ARG 550 HD2 ARG 550 -5.189 0.668 -7.191 788 2HD ARG 550 HD1 ARG 550 -6.004 1.826 -8.241 789 HE ARG 550 HE ARG 550 -4.245 -0.213 -9.057 790 1HH1 ARG 550 HH11 ARG 550 -4.982 3.135 -9.711 791 2HH1 ARG 550 HH12 ARG 550 -4.430 3.065 -11.351 792 1HH2 ARG 550 HH21 ARG 550 -3.519 -0.305 -11.213 793 2HH2 ARG 550 HH22 ARG 550 -3.601 1.113 -12.204 794 H HIS 551 HN HIS 551 -2.877 2.057 -3.068 795 HA HIS 551 HA HIS 551 -3.483 4.521 -1.904 796 1HB HIS 551 HB2 HIS 551 -2.466 1.912 -0.868 797 2HB HIS 551 HB1 HIS 551 -2.405 3.308 0.201 798 HD1 HIS 551 HD1 HIS 551 -4.272 0.733 0.521 799 HD2 HIS 551 HD2 HIS 551 -5.413 4.467 -0.897 800 HE1 HIS 551 HE1 HIS 551 -6.754 0.868 0.905 801 HE2 HIS 551 HE2 HIS 551 -7.437 3.093 -0.056 802 H VAL 552 HN VAL 552 -0.416 2.934 -2.539 803 HA VAL 552 HA VAL 552 1.240 4.772 -1.162 804 HB VAL 552 HB VAL 552 1.973 3.141 -3.600 805 1HG1 VAL 552 HG11 VAL 552 3.922 4.196 -3.382 806 2HG1 VAL 552 HG12 VAL 552 4.142 3.296 -1.882 807 3HG1 VAL 552 HG13 VAL 552 3.444 4.915 -1.844 808 1HG2 VAL 552 HG21 VAL 552 2.134 1.270 -2.361 809 2HG2 VAL 552 HG22 VAL 552 0.977 2.087 -1.310 810 3HG2 VAL 552 HG23 VAL 552 2.700 2.139 -0.934 811 H LEU 553 HN LEU 553 -0.290 4.774 -4.298 812 HA LEU 553 HA LEU 553 1.177 6.624 -5.722 813 1HB LEU 553 HB2 LEU 553 -0.791 5.382 -6.579 814 2HB LEU 553 HB1 LEU 553 -1.835 6.422 -5.631 815 HG LEU 553 HG LEU 553 -0.498 8.285 -7.065 816 1HD1 LEU 553 HD11 LEU 553 0.238 7.600 -9.076 817 2HD1 LEU 553 HD12 LEU 553 -1.016 6.370 -9.235 818 3HD1 LEU 553 HD13 LEU 553 0.419 6.045 -8.263 819 1HD2 LEU 553 HD21 LEU 553 -2.965 6.778 -7.943 820 2HD2 LEU 553 HD22 LEU 553 -2.491 8.388 -8.484 821 3HD2 LEU 553 HD23 LEU 553 -2.923 8.117 -6.797 822 H ASN 554 HN ASN 554 -0.859 7.153 -2.956 823 HA ASN 554 HA ASN 554 -1.226 8.985 -1.657 824 1HB ASN 554 HB2 ASN 554 1.333 9.280 -2.393 825 2HB ASN 554 HB1 ASN 554 0.663 10.705 -3.183 826 1HD2 ASN 554 HD21 ASN 554 1.371 12.312 -1.938 827 2HD2 ASN 554 HD22 ASN 554 1.074 12.462 -0.243 828 H ARG 555 HN ARG 555 -3.315 9.007 -2.762 829 HA ARG 555 HA ARG 555 -4.069 11.574 -3.580 830 1HB ARG 555 HB2 ARG 555 -2.831 10.287 -5.657 831 2HB ARG 555 HB1 ARG 555 -4.520 9.892 -5.949 832 1HG ARG 555 HG2 ARG 555 -5.121 12.157 -6.157 833 2HG ARG 555 HG1 ARG 555 -3.588 12.706 -5.478 834 1HD ARG 555 HD2 ARG 555 -2.705 12.792 -7.512 835 2HD ARG 555 HD1 ARG 555 -3.028 11.074 -7.737 836 HE ARG 555 HE ARG 555 -5.313 12.761 -8.192 837 1HH1 ARG 555 HH11 ARG 555 -2.478 11.319 -9.631 838 2HH1 ARG 555 HH12 ARG 555 -3.105 11.394 -11.243 839 1HH2 ARG 555 HH21 ARG 555 -6.138 12.861 -10.312 840 2HH2 ARG 555 HH22 ARG 555 -5.182 12.270 -11.630 841 HA PRO 556 HA PRO 556 -7.487 8.892 -2.087 842 1HB PRO 556 HB2 PRO 556 -8.816 10.922 -0.845 843 2HB PRO 556 HB1 PRO 556 -7.508 10.010 -0.087 844 1HG PRO 556 HG2 PRO 556 -7.426 12.688 -1.419 845 2HG PRO 556 HG1 PRO 556 -6.648 12.162 0.084 846 1HD PRO 556 HD2 PRO 556 -5.297 12.351 -2.244 847 2HD PRO 556 HD1 PRO 556 -4.918 11.112 -1.029 848 H LYS 557 HN LYS 557 -7.682 9.144 -4.624 849 HA LYS 557 HA LYS 557 -10.370 10.045 -5.107 850 1HB LYS 557 HB2 LYS 557 -8.012 11.475 -6.286 851 2HB LYS 557 HB1 LYS 557 -9.513 11.361 -7.192 852 1HG LYS 557 HG2 LYS 557 -10.129 13.214 -6.135 853 2HG LYS 557 HG1 LYS 557 -10.344 12.202 -4.705 854 1HD LYS 557 HD2 LYS 557 -8.913 13.702 -3.794 855 2HD LYS 557 HD1 LYS 557 -7.703 12.654 -4.538 856 1HE LYS 557 HE2 LYS 557 -8.837 14.813 -6.219 857 2HE LYS 557 HE1 LYS 557 -7.759 15.299 -4.911 858 1HZ LYS 557 HZ1 LYS 557 -6.842 13.087 -6.555 859 2HZ LYS 557 HZ2 LYS 557 -5.980 14.401 -5.928 860 3HZ LYS 557 HZ3 LYS 557 -6.912 14.592 -7.328 861 H TRP 558 HN TRP 558 -7.552 9.553 -7.211 862 HA TRP 558 HA TRP 558 -8.786 8.033 -9.160 863 1HB TRP 558 HB2 TRP 558 -6.298 9.023 -8.819 864 2HB TRP 558 HB1 TRP 558 -5.987 7.317 -8.517 865 HD1 TRP 558 HD1 TRP 558 -5.963 9.679 -11.246 866 HE1 TRP 558 HE1 TRP 558 -6.143 8.506 -13.532 867 HE3 TRP 558 HE3 TRP 558 -7.478 5.067 -9.670 868 HZ2 TRP 558 HZ2 TRP 558 -6.840 5.954 -14.529 869 HZ3 TRP 558 HZ3 TRP 558 -7.887 3.321 -11.336 870 HH2 TRP 558 HH2 TRP 558 -7.570 3.750 -13.723 871 H LEU 559 HN LEU 559 -6.876 6.887 -6.440 872 HA LEU 559 HA LEU 559 -7.025 4.167 -6.814 873 1HB LEU 559 HB2 LEU 559 -7.235 5.161 -4.028 874 2HB LEU 559 HB1 LEU 559 -6.157 3.959 -4.713 875 HG LEU 559 HG LEU 559 -5.898 6.954 -4.900 876 1HD1 LEU 559 HD11 LEU 559 -4.417 4.790 -3.477 877 2HD1 LEU 559 HD12 LEU 559 -5.084 6.289 -2.836 878 3HD1 LEU 559 HD13 LEU 559 -3.648 6.330 -3.857 879 1HD2 LEU 559 HD21 LEU 559 -5.180 5.147 -6.873 880 2HD2 LEU 559 HD22 LEU 559 -3.688 5.401 -5.964 881 3HD2 LEU 559 HD23 LEU 559 -4.540 6.779 -6.661 882 H MET 560 HN MET 560 -9.295 6.188 -4.965 883 HA MET 560 HA MET 560 -10.893 4.155 -3.992 884 1HB MET 560 HB2 MET 560 -11.540 6.991 -4.744 885 2HB MET 560 HB1 MET 560 -12.738 5.917 -4.034 886 1HG MET 560 HG2 MET 560 -10.136 6.787 -2.797 887 2HG MET 560 HG1 MET 560 -11.757 7.286 -2.320 888 1HE MET 560 HE1 MET 560 -9.286 4.607 -2.825 889 2HE MET 560 HE2 MET 560 -9.843 3.192 -1.932 890 3HE MET 560 HE3 MET 560 -8.998 4.491 -1.089 891 H LEU 561 HN LEU 561 -11.049 5.780 -7.130 892 HA LEU 561 HA LEU 561 -13.383 4.392 -7.915 893 1HB LEU 561 HB2 LEU 561 -11.923 6.515 -8.939 894 2HB LEU 561 HB1 LEU 561 -11.784 5.266 -10.159 895 HG LEU 561 HG LEU 561 -13.763 7.032 -10.180 896 1HD1 LEU 561 HD11 LEU 561 -13.950 5.775 -12.000 897 2HD1 LEU 561 HD12 LEU 561 -15.116 4.831 -11.072 898 3HD1 LEU 561 HD13 LEU 561 -13.430 4.314 -11.157 899 1HD2 LEU 561 HD21 LEU 561 -15.268 4.818 -8.856 900 2HD2 LEU 561 HD22 LEU 561 -15.675 6.527 -9.011 901 3HD2 LEU 561 HD23 LEU 561 -14.463 6.015 -7.840 902 H LYS 562 HN LYS 562 -9.924 3.761 -8.550 903 HA LYS 562 HA LYS 562 -10.342 1.554 -10.268 904 1HB LYS 562 HB2 LYS 562 -8.128 2.836 -9.441 905 2HB LYS 562 HB1 LYS 562 -8.063 1.457 -8.353 906 1HG LYS 562 HG2 LYS 562 -8.138 1.354 -11.360 907 2HG LYS 562 HG1 LYS 562 -6.744 1.029 -10.328 908 1HD LYS 562 HD2 LYS 562 -8.534 -0.692 -9.275 909 2HD LYS 562 HD1 LYS 562 -9.081 -0.660 -10.953 910 1HE LYS 562 HE2 LYS 562 -6.997 -1.414 -11.752 911 2HE LYS 562 HE1 LYS 562 -6.197 -1.078 -10.217 912 1HZ LYS 562 HZ1 LYS 562 -7.612 -2.840 -9.224 913 2HZ LYS 562 HZ2 LYS 562 -6.530 -3.414 -10.392 914 3HZ LYS 562 HZ3 LYS 562 -8.168 -3.226 -10.775 915 H VAL 563 HN VAL 563 -9.864 1.818 -6.786 916 HA VAL 563 HA VAL 563 -10.239 -0.890 -6.107 917 HB VAL 563 HB VAL 563 -11.049 1.525 -4.465 918 1HG1 VAL 563 HG11 VAL 563 -10.714 0.065 -2.549 919 2HG1 VAL 563 HG12 VAL 563 -10.264 -1.263 -3.619 920 3HG1 VAL 563 HG13 VAL 563 -11.908 -0.623 -3.650 921 1HG2 VAL 563 HG21 VAL 563 -8.450 0.200 -3.981 922 2HG2 VAL 563 HG22 VAL 563 -8.905 1.901 -3.857 923 3HG2 VAL 563 HG23 VAL 563 -8.573 1.191 -5.435 924 H LYS 564 HN LYS 564 -12.350 1.799 -6.775 925 HA LYS 564 HA LYS 564 -14.799 0.623 -6.019 926 1HB LYS 564 HB2 LYS 564 -15.163 2.840 -6.348 927 2HB LYS 564 HB1 LYS 564 -13.932 2.965 -7.575 928 1HG LYS 564 HG2 LYS 564 -16.498 1.593 -8.208 929 2HG LYS 564 HG1 LYS 564 -16.420 3.348 -8.205 930 1HD LYS 564 HD2 LYS 564 -14.696 3.321 -9.882 931 2HD LYS 564 HD1 LYS 564 -14.616 1.570 -9.832 932 1HE LYS 564 HE2 LYS 564 -16.626 1.302 -10.921 933 2HE LYS 564 HE1 LYS 564 -17.216 2.890 -10.438 934 1HZ LYS 564 HZ1 LYS 564 -16.357 3.823 -12.253 935 2HZ LYS 564 HZ2 LYS 564 -16.186 2.257 -12.865 936 3HZ LYS 564 HZ3 LYS 564 -14.880 3.013 -12.102 937 H GLU 565 HN GLU 565 -12.808 0.467 -8.931 938 HA GLU 565 HA GLU 565 -14.646 -0.569 -10.726 939 1HB GLU 565 HB2 GLU 565 -11.810 -1.560 -10.391 940 2HB GLU 565 HB1 GLU 565 -12.801 -1.699 -11.832 941 1HG GLU 565 HG2 GLU 565 -12.310 1.027 -10.786 942 2HG GLU 565 HG1 GLU 565 -10.960 0.188 -11.546 943 H GLN 566 HN GLN 566 -12.501 -2.318 -8.532 944 HA GLN 566 HA GLN 566 -13.666 -4.825 -9.046 945 1HB GLN 566 HB2 GLN 566 -11.665 -3.754 -7.203 946 2HB GLN 566 HB1 GLN 566 -12.541 -5.143 -6.569 947 1HG GLN 566 HG2 GLN 566 -11.982 -5.962 -9.096 948 2HG GLN 566 HG1 GLN 566 -10.567 -4.980 -8.717 949 1HE2 GLN 566 HE21 GLN 566 -8.981 -5.930 -7.658 950 2HE2 GLN 566 HE22 GLN 566 -9.099 -7.402 -6.763 951 H GLU 567 HN GLU 567 -14.003 -2.809 -6.097 952 HA GLU 567 HA GLU 567 -15.944 -4.420 -4.881 953 1HB GLU 567 HB2 GLU 567 -14.563 -1.982 -4.336 954 2HB GLU 567 HB1 GLU 567 -16.269 -1.736 -4.016 955 1HG GLU 567 HG2 GLU 567 -15.987 -4.051 -2.764 956 2HG GLU 567 HG1 GLU 567 -14.316 -3.496 -2.663 957 H LYS 568 HN LYS 568 -16.238 -1.667 -7.050 958 HA LYS 568 HA LYS 568 -18.952 -1.092 -6.817 959 1HB LYS 568 HB2 LYS 568 -17.490 0.307 -8.179 960 2HB LYS 568 HB1 LYS 568 -17.197 -1.021 -9.282 961 1HG LYS 568 HG2 LYS 568 -20.023 -0.351 -8.971 962 2HG LYS 568 HG1 LYS 568 -19.039 0.950 -9.644 963 1HD LYS 568 HD2 LYS 568 -18.215 -1.412 -10.932 964 2HD LYS 568 HD1 LYS 568 -19.979 -1.456 -10.899 965 1HE LYS 568 HE2 LYS 568 -19.988 0.853 -11.830 966 2HE LYS 568 HE1 LYS 568 -18.236 0.749 -11.989 967 1HZ LYS 568 HZ1 LYS 568 -18.745 -0.004 -14.025 968 2HZ LYS 568 HZ2 LYS 568 -20.314 -0.470 -13.597 969 3HZ LYS 568 HZ3 LYS 568 -19.005 -1.481 -13.241 970 H THR 569 HN THR 569 -17.288 -3.350 -8.978 971 HA THR 569 HA THR 569 -19.622 -4.212 -10.212 972 HB THR 569 HB THR 569 -16.901 -4.764 -10.443 973 HG1 THR 569 HG1 THR 569 -17.580 -5.080 -12.387 974 1HG2 THR 569 HG21 THR 569 -16.794 -7.207 -10.716 975 2HG2 THR 569 HG22 THR 569 -18.366 -7.339 -9.930 976 3HG2 THR 569 HG23 THR 569 -16.982 -6.705 -9.036 977 H GLU 570 HN GLU 570 -17.874 -5.406 -7.378 978 HA GLU 570 HA GLU 570 -19.460 -7.647 -6.811 979 1HB GLU 570 HB2 GLU 570 -17.587 -5.924 -5.329 980 2HB GLU 570 HB1 GLU 570 -18.821 -6.666 -4.320 981 1HG GLU 570 HG2 GLU 570 -16.773 -7.998 -4.423 982 2HG GLU 570 HG1 GLU 570 -18.167 -8.865 -5.067 983 H ALA 571 HN ALA 571 -19.913 -4.237 -6.396 984 HA ALA 571 HA ALA 571 -22.272 -4.444 -4.762 985 1HB ALA 571 HB1 ALA 571 -22.201 -1.906 -5.946 986 2HB ALA 571 HB2 ALA 571 -20.516 -2.348 -5.668 987 3HB ALA 571 HB3 ALA 571 -21.660 -2.347 -4.327 988 H GLU 572 HN GLU 572 -21.452 -4.255 -8.159 989 HA GLU 572 HA GLU 572 -24.069 -3.578 -9.076 990 1HB GLU 572 HB2 GLU 572 -21.559 -4.591 -10.346 991 2HB GLU 572 HB1 GLU 572 -23.062 -4.685 -11.253 992 1HG GLU 572 HG2 GLU 572 -23.351 -2.226 -10.811 993 2HG GLU 572 HG1 GLU 572 -21.701 -2.228 -10.191 994 H ARG 573 HN ARG 573 -22.394 -6.560 -8.343 995 HA ARG 573 HA ARG 573 -24.357 -8.265 -9.541 996 1HB ARG 573 HB2 ARG 573 -23.149 -10.083 -8.310 997 2HB ARG 573 HB1 ARG 573 -22.138 -9.121 -9.379 998 1HG ARG 573 HG2 ARG 573 -21.318 -7.852 -7.458 999 2HG ARG 573 HG1 ARG 573 -22.327 -8.826 -6.388 1000 1HD ARG 573 HD2 ARG 573 -19.985 -9.720 -8.054 1001 2HD ARG 573 HD1 ARG 573 -20.127 -9.726 -6.296 1002 HE ARG 573 HE ARG 573 -21.175 -11.684 -8.140 1003 1HH1 ARG 573 HH11 ARG 573 -21.377 -10.350 -4.920 1004 2HH1 ARG 573 HH12 ARG 573 -22.079 -11.778 -4.238 1005 1HH2 ARG 573 HH21 ARG 573 -22.099 -13.560 -7.244 1006 2HH2 ARG 573 HH22 ARG 573 -22.489 -13.600 -5.557 1007 H ARG 574 HN ARG 574 -23.631 -7.274 -6.187 1008 HA ARG 574 HA ARG 574 -25.974 -8.730 -5.251 1009 1HB ARG 574 HB2 ARG 574 -23.544 -7.684 -4.053 1010 2HB ARG 574 HB1 ARG 574 -24.965 -7.244 -3.115 1011 1HG ARG 574 HG2 ARG 574 -25.544 -9.479 -2.730 1012 2HG ARG 574 HG1 ARG 574 -24.481 -10.063 -4.012 1013 1HD ARG 574 HD2 ARG 574 -22.582 -9.810 -2.740 1014 2HD ARG 574 HD1 ARG 574 -23.306 -8.575 -1.710 1015 HE ARG 574 HE ARG 574 -24.740 -10.601 -0.935 1016 1HH1 ARG 574 HH11 ARG 574 -21.328 -10.634 -1.699 1017 2HH1 ARG 574 HH12 ARG 574 -20.980 -11.949 -0.630 1018 1HH2 ARG 574 HH21 ARG 574 -24.274 -12.326 0.469 1019 2HH2 ARG 574 HH22 ARG 574 -22.648 -12.909 0.600 1020 H LYS 575 HN LYS 575 -24.977 -5.488 -5.982 1021 HA LYS 575 HA LYS 575 -25.983 -3.434 -5.492 1022 1HB LYS 575 HB2 LYS 575 -26.615 -4.235 -7.756 1023 2HB LYS 575 HB1 LYS 575 -28.100 -4.887 -7.076 1024 1HG LYS 575 HG2 LYS 575 -29.063 -2.934 -7.463 1025 2HG LYS 575 HG1 LYS 575 -28.005 -2.219 -6.244 1026 1HD LYS 575 HD2 LYS 575 -26.916 -2.612 -8.982 1027 2HD LYS 575 HD1 LYS 575 -28.086 -1.315 -8.735 1028 1HE LYS 575 HE2 LYS 575 -25.790 -1.588 -6.850 1029 2HE LYS 575 HE1 LYS 575 -25.516 -0.879 -8.440 1030 1HZ LYS 575 HZ1 LYS 575 -26.171 0.612 -6.431 1031 2HZ LYS 575 HZ2 LYS 575 -27.744 0.111 -6.803 1032 3HZ LYS 575 HZ3 LYS 575 -26.820 0.925 -7.963 1033 H ASP 576 HN ASP 576 -26.503 -3.061 -3.390 1034 HA ASP 576 HA ASP 576 -27.803 -2.724 -1.558 1035 1HB ASP 576 HB2 ASP 576 -29.361 -2.078 -3.688 1036 2HB ASP 576 HB1 ASP 576 -30.355 -3.312 -2.919 1037 H PHE 577 HN PHE 577 -26.767 -5.260 -1.724 1038 HA PHE 577 HA PHE 577 -28.958 -7.058 -0.960 1039 1HB PHE 577 HB2 PHE 577 -26.844 -7.547 -2.582 1040 2HB PHE 577 HB1 PHE 577 -26.184 -8.088 -1.042 1041 HD1 PHE 577 HD1 PHE 577 -26.720 -10.186 -0.200 1042 HD2 PHE 577 HD2 PHE 577 -29.085 -8.516 -3.319 1043 HE1 PHE 577 HE1 PHE 577 -27.908 -12.328 -0.440 1044 HE2 PHE 577 HE2 PHE 577 -30.277 -10.654 -3.564 1045 HZ PHE 577 HZ PHE 577 -29.689 -12.563 -2.124 1046 H LEU 578 HN LEU 578 -26.187 -5.370 0.252 1047 HA LEU 578 HA LEU 578 -26.957 -5.467 2.925 1048 1HB LEU 578 HB2 LEU 578 -25.704 -7.863 2.076 1049 2HB LEU 578 HB1 LEU 578 -24.542 -7.011 3.076 1050 HG LEU 578 HG LEU 578 -27.015 -6.898 4.445 1051 1HD1 LEU 578 HD11 LEU 578 -27.248 -9.446 4.747 1052 2HD1 LEU 578 HD12 LEU 578 -26.459 -9.550 3.171 1053 3HD1 LEU 578 HD13 LEU 578 -27.990 -8.689 3.337 1054 1HD2 LEU 578 HD21 LEU 578 -24.412 -7.256 5.053 1055 2HD2 LEU 578 HD22 LEU 578 -25.020 -8.896 5.283 1056 3HD2 LEU 578 HD23 LEU 578 -25.736 -7.557 6.179 1057 H THR 579 HN THR 579 -24.133 -5.536 0.800 1058 HA THR 579 HA THR 579 -23.216 -3.035 2.038 1059 HB THR 579 HB THR 579 -21.753 -4.686 2.933 1060 HG1 THR 579 HG1 THR 579 -20.647 -2.885 2.151 1061 1HG2 THR 579 HG21 THR 579 -22.168 -6.050 0.463 1062 2HG2 THR 579 HG22 THR 579 -21.428 -6.635 1.953 1063 3HG2 THR 579 HG23 THR 579 -20.439 -5.829 0.735 1064 H ALA 580 HN ALA 580 -24.125 -4.648 -0.760 1065 HA ALA 580 HA ALA 580 -22.396 -3.578 -2.695 1066 1HB ALA 580 HB1 ALA 580 -25.104 -4.792 -2.713 1067 2HB ALA 580 HB2 ALA 580 -23.641 -5.272 -3.573 1068 3HB ALA 580 HB3 ALA 580 -24.590 -3.899 -4.143 1069 H ALA 581 HN ALA 581 -25.606 -2.455 -1.618 1070 HA ALA 581 HA ALA 581 -25.833 -0.218 -3.230 1071 1HB ALA 581 HB1 ALA 581 -26.985 -1.062 -0.645 1072 2HB ALA 581 HB2 ALA 581 -27.782 -0.536 -2.128 1073 3HB ALA 581 HB3 ALA 581 -27.093 0.657 -1.027 1074 H ARG 582 HN ARG 582 -24.059 -0.634 -0.231 1075 HA ARG 582 HA ARG 582 -23.480 2.095 0.231 1076 1HB ARG 582 HB2 ARG 582 -22.295 -0.495 1.169 1077 2HB ARG 582 HB1 ARG 582 -21.490 1.023 1.539 1078 1HG ARG 582 HG2 ARG 582 -23.899 1.696 2.376 1079 2HG ARG 582 HG1 ARG 582 -24.068 -0.053 2.539 1080 1HD ARG 582 HD2 ARG 582 -21.756 1.493 3.689 1081 2HD ARG 582 HD1 ARG 582 -23.241 1.177 4.585 1082 HE ARG 582 HE ARG 582 -22.486 -1.285 3.766 1083 1HH1 ARG 582 HH11 ARG 582 -20.818 1.281 5.444 1084 2HH1 ARG 582 HH12 ARG 582 -19.783 0.205 6.320 1085 1HH2 ARG 582 HH21 ARG 582 -21.124 -2.703 4.919 1086 2HH2 ARG 582 HH22 ARG 582 -19.956 -2.056 6.022 1087 H ILE 583 HN ILE 583 -21.871 -0.424 -1.627 1088 HA ILE 583 HA ILE 583 -19.503 1.081 -2.123 1089 HB ILE 583 HB ILE 583 -20.158 -0.872 -4.208 1090 1HG1 ILE 583 HG12 ILE 583 -19.828 -1.848 -1.359 1091 2HG1 ILE 583 HG11 ILE 583 -21.286 -2.002 -2.334 1092 1HG2 ILE 583 HG21 ILE 583 -17.831 -1.364 -2.559 1093 2HG2 ILE 583 HG22 ILE 583 -17.919 0.305 -3.120 1094 3HG2 ILE 583 HG23 ILE 583 -17.953 -1.019 -4.283 1095 1HD1 ILE 583 HD11 ILE 583 -18.825 -3.107 -3.523 1096 2HD1 ILE 583 HD12 ILE 583 -20.480 -3.736 -3.519 1097 3HD1 ILE 583 HD13 ILE 583 -19.454 -3.938 -2.097 1098 H ALA 584 HN ALA 584 -22.388 0.410 -4.096 1099 HA ALA 584 HA ALA 584 -21.596 1.755 -6.391 1100 1HB ALA 584 HB1 ALA 584 -23.664 0.266 -5.927 1101 2HB ALA 584 HB2 ALA 584 -23.774 1.549 -7.131 1102 3HB ALA 584 HB3 ALA 584 -24.455 1.789 -5.523 1103 H LYS 585 HN LYS 585 -23.567 3.042 -3.701 1104 HA LYS 585 HA LYS 585 -23.795 5.637 -4.755 1105 1HB LYS 585 HB2 LYS 585 -25.236 4.784 -2.963 1106 2HB LYS 585 HB1 LYS 585 -23.862 4.755 -1.866 1107 1HG LYS 585 HG2 LYS 585 -24.295 7.355 -3.116 1108 2HG LYS 585 HG1 LYS 585 -25.652 6.805 -2.130 1109 1HD LYS 585 HD2 LYS 585 -23.780 6.239 -0.394 1110 2HD LYS 585 HD1 LYS 585 -22.835 7.401 -1.326 1111 1HE LYS 585 HE2 LYS 585 -25.472 8.430 -0.791 1112 2HE LYS 585 HE1 LYS 585 -24.680 7.943 0.707 1113 1HZ LYS 585 HZ1 LYS 585 -23.167 9.577 0.538 1114 2HZ LYS 585 HZ2 LYS 585 -24.324 10.311 -0.453 1115 3HZ LYS 585 HZ3 LYS 585 -23.039 9.456 -1.145 1116 H GLU 586 HN GLU 586 -21.474 4.280 -2.438 1117 HA GLU 586 HA GLU 586 -20.105 6.644 -1.868 1118 1HB GLU 586 HB2 GLU 586 -19.964 4.341 -0.730 1119 2HB GLU 586 HB1 GLU 586 -18.751 3.965 -1.945 1120 1HG GLU 586 HG2 GLU 586 -17.195 5.296 -1.006 1121 2HG GLU 586 HG1 GLU 586 -18.377 6.496 -0.485 1122 H MET 587 HN MET 587 -19.218 4.122 -4.265 1123 HA MET 587 HA MET 587 -17.037 5.697 -5.198 1124 1HB MET 587 HB2 MET 587 -18.090 3.567 -6.941 1125 2HB MET 587 HB1 MET 587 -16.446 4.001 -6.551 1126 1HG MET 587 HG2 MET 587 -16.309 2.534 -4.889 1127 2HG MET 587 HG1 MET 587 -17.899 2.933 -4.266 1128 1HE MET 587 HE1 MET 587 -19.654 2.541 -6.792 1129 2HE MET 587 HE2 MET 587 -19.705 0.892 -7.463 1130 3HE MET 587 HE3 MET 587 -18.448 2.029 -7.981 1131 H ILE 588 HN ILE 588 -20.394 5.325 -6.198 1132 HA ILE 588 HA ILE 588 -20.220 6.453 -8.750 1133 HB ILE 588 HB ILE 588 -22.340 6.161 -6.727 1134 1HG1 ILE 588 HG12 ILE 588 -23.670 5.558 -8.697 1135 2HG1 ILE 588 HG11 ILE 588 -22.378 6.124 -9.750 1136 1HG2 ILE 588 HG21 ILE 588 -23.859 7.806 -7.807 1137 2HG2 ILE 588 HG22 ILE 588 -22.460 8.472 -8.649 1138 3HG2 ILE 588 HG23 ILE 588 -22.541 8.535 -6.889 1139 1HD1 ILE 588 HD11 ILE 588 -20.967 4.365 -8.395 1140 2HD1 ILE 588 HD12 ILE 588 -21.967 3.889 -9.767 1141 3HD1 ILE 588 HD13 ILE 588 -22.558 3.653 -8.124 1142 H GLU 589 HN GLU 589 -20.181 7.778 -5.539 1143 HA GLU 589 HA GLU 589 -20.103 10.533 -6.304 1144 1HB GLU 589 HB2 GLU 589 -19.527 9.053 -3.742 1145 2HB GLU 589 HB1 GLU 589 -19.236 10.780 -3.889 1146 1HG GLU 589 HG2 GLU 589 -21.681 10.926 -4.647 1147 2HG GLU 589 HG1 GLU 589 -21.835 9.299 -3.983 1148 H MET 590 HN MET 590 -17.801 7.938 -5.778 1149 HA MET 590 HA MET 590 -15.470 9.547 -5.642 1150 1HB MET 590 HB2 MET 590 -15.893 6.675 -6.461 1151 2HB MET 590 HB1 MET 590 -14.303 7.421 -6.401 1152 1HG MET 590 HG2 MET 590 -16.183 7.231 -4.060 1153 2HG MET 590 HG1 MET 590 -14.873 6.098 -4.391 1154 1HE MET 590 HE1 MET 590 -16.085 8.982 -2.674 1155 2HE MET 590 HE2 MET 590 -15.385 10.163 -3.780 1156 3HE MET 590 HE3 MET 590 -14.706 9.956 -2.167 1157 H LYS 591 HN LYS 591 -17.326 8.181 -8.286 1158 HA LYS 591 HA LYS 591 -15.493 8.804 -10.355 1159 1HB LYS 591 HB2 LYS 591 -18.394 8.096 -10.221 1160 2HB LYS 591 HB1 LYS 591 -17.764 8.775 -11.717 1161 1HG LYS 591 HG2 LYS 591 -17.100 6.748 -12.297 1162 2HG LYS 591 HG1 LYS 591 -15.948 6.784 -10.963 1163 1HD LYS 591 HD2 LYS 591 -17.172 4.841 -10.572 1164 2HD LYS 591 HD1 LYS 591 -17.936 6.026 -9.509 1165 1HE LYS 591 HE2 LYS 591 -19.814 6.208 -10.851 1166 2HE LYS 591 HE1 LYS 591 -18.975 5.611 -12.282 1167 1HZ LYS 591 HZ1 LYS 591 -19.498 3.890 -9.932 1168 2HZ LYS 591 HZ2 LYS 591 -19.072 3.419 -11.498 1169 3HZ LYS 591 HZ3 LYS 591 -20.611 4.050 -11.195 1170 H LYS 592 HN LYS 592 -18.176 10.530 -8.853 1171 HA LYS 592 HA LYS 592 -18.147 12.726 -10.660 1172 1HB LYS 592 HB2 LYS 592 -19.478 12.060 -8.110 1173 2HB LYS 592 HB1 LYS 592 -19.278 13.776 -8.438 1174 1HG LYS 592 HG2 LYS 592 -21.370 13.269 -9.317 1175 2HG LYS 592 HG1 LYS 592 -20.307 13.271 -10.726 1176 1HD LYS 592 HD2 LYS 592 -20.940 10.753 -9.214 1177 2HD LYS 592 HD1 LYS 592 -21.978 11.349 -10.510 1178 1HE LYS 592 HE2 LYS 592 -19.304 11.413 -11.450 1179 2HE LYS 592 HE1 LYS 592 -19.566 9.840 -10.699 1180 1HZ LYS 592 HZ1 LYS 592 -21.520 10.947 -12.614 1181 2HZ LYS 592 HZ2 LYS 592 -21.267 9.335 -12.169 1182 3HZ LYS 592 HZ3 LYS 592 -20.145 10.124 -13.158 1183 H MET 593 HN MET 593 -16.887 12.382 -7.329 1184 HA MET 593 HA MET 593 -15.785 14.924 -7.111 1185 1HB MET 593 HB2 MET 593 -14.237 13.900 -5.420 1186 2HB MET 593 HB1 MET 593 -15.947 13.593 -5.151 1187 1HG MET 593 HG2 MET 593 -15.668 11.406 -5.274 1188 2HG MET 593 HG1 MET 593 -14.744 11.533 -6.766 1189 1HE MET 593 HE1 MET 593 -13.581 9.581 -6.261 1190 2HE MET 593 HE2 MET 593 -12.219 9.392 -5.159 1191 3HE MET 593 HE3 MET 593 -12.070 10.430 -6.579 1192 H LEU 594 HN LEU 594 -14.597 12.120 -8.798 1193 HA LEU 594 HA LEU 594 -11.900 12.765 -9.053 1194 1HB LEU 594 HB2 LEU 594 -13.845 11.244 -10.726 1195 2HB LEU 594 HB1 LEU 594 -12.266 11.609 -11.395 1196 HG LEU 594 HG LEU 594 -12.735 10.111 -8.818 1197 1HD1 LEU 594 HD11 LEU 594 -11.896 9.065 -11.514 1198 2HD1 LEU 594 HD12 LEU 594 -13.505 8.890 -10.814 1199 3HD1 LEU 594 HD13 LEU 594 -12.117 8.127 -10.038 1200 1HD2 LEU 594 HD21 LEU 594 -10.532 10.157 -8.465 1201 2HD2 LEU 594 HD22 LEU 594 -10.494 11.487 -9.622 1202 3HD2 LEU 594 HD23 LEU 594 -10.166 9.841 -10.161 1203 H SER 595 HN SER 595 -14.658 13.780 -11.036 1204 HA SER 595 HA SER 595 -14.954 15.560 -12.423 1205 1HB SER 595 HB2 SER 595 -13.433 16.606 -10.465 1206 2HB SER 595 HB1 SER 595 -12.320 16.794 -11.820 1207 HG SER 595 HG SER 595 -14.678 18.102 -11.278 1208 H SER 596 HN SER 596 -14.822 14.402 -14.319 1209 HA SER 596 HA SER 596 -12.345 13.655 -15.518 1210 1HB SER 596 HB2 SER 596 -15.218 13.542 -16.271 1211 2HB SER 596 HB1 SER 596 -14.049 13.512 -17.591 1212 HG SER 596 HG SER 596 -14.777 11.504 -16.080 1213 H SER 597 HN SER 597 -11.902 14.359 -17.863 1214 HA SER 597 HA SER 597 -11.484 17.204 -17.824 1215 1HB SER 597 HB2 SER 597 -10.052 15.157 -18.864 1216 2HB SER 597 HB1 SER 597 -10.907 15.699 -20.309 1217 HG SER 597 HG SER 597 -8.766 16.724 -19.580
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