NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630193 | 6cpk | 30438 | cing | 1-original | 1 | MR format | nomenclature mapping |
final.upl Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 470 H MET 470 -18.929 6.549 -10.772 2 HA MET 470 HA MET 470 -18.070 3.984 -11.742 3 HB2 MET 470 1HB MET 470 -18.514 6.280 -13.626 4 HB3 MET 470 2HB MET 470 -17.283 5.069 -13.957 5 HG2 MET 470 1HG MET 470 -19.089 4.266 -15.129 6 HG3 MET 470 2HG MET 470 -19.201 3.373 -13.614 7 HE1 MET 470 1HE MET 470 -20.727 6.291 -15.796 8 HE2 MET 470 2HE MET 470 -21.232 4.643 -16.167 9 HE3 MET 470 3HE MET 470 -22.399 5.800 -15.526 10 H VAL 471 H VAL 471 -16.026 3.722 -11.136 11 HA VAL 471 HA VAL 471 -14.532 5.583 -9.759 12 HB VAL 471 HB VAL 471 -12.520 4.136 -10.434 13 HG11 VAL 471 1HG1 VAL 471 -13.984 3.927 -8.370 14 HG12 VAL 471 2HG1 VAL 471 -14.807 2.613 -9.214 15 HG13 VAL 471 3HG1 VAL 471 -13.085 2.488 -8.849 16 HG21 VAL 471 1HG2 VAL 471 -14.631 2.273 -11.474 17 HG22 VAL 471 2HG2 VAL 471 -13.738 3.354 -12.543 18 HG23 VAL 471 3HG2 VAL 471 -12.878 2.135 -11.603 19 HA PRO 472 HA PRO 472 -12.714 8.336 -12.654 20 HB2 PRO 472 1HB PRO 472 -10.270 8.755 -11.547 21 HB3 PRO 472 2HB PRO 472 -11.762 9.413 -10.862 22 HG2 PRO 472 1HG PRO 472 -10.219 6.979 -10.052 23 HG3 PRO 472 2HG PRO 472 -10.966 8.221 -9.030 24 HD2 PRO 472 1HD PRO 472 -12.122 5.813 -9.478 25 HD3 PRO 472 2HD PRO 472 -13.067 7.294 -9.225 26 H GLY 473 H GLY 473 -11.095 5.341 -11.910 27 HA2 GLY 473 1HA GLY 473 -10.463 4.596 -14.456 28 HA3 GLY 473 2HA GLY 473 -9.097 5.588 -13.965 29 H ARG 474 H ARG 474 -8.272 4.969 -11.667 30 HA ARG 474 HA ARG 474 -8.332 2.055 -11.322 31 HB2 ARG 474 1HB ARG 474 -6.210 3.347 -12.511 32 HB3 ARG 474 2HB ARG 474 -5.702 3.243 -10.831 33 HG2 ARG 474 1HG ARG 474 -4.965 1.210 -11.348 34 HG3 ARG 474 2HG ARG 474 -6.661 0.722 -11.328 35 HD2 ARG 474 1HD ARG 474 -6.776 0.557 -13.578 36 HD3 ARG 474 2HD ARG 474 -5.715 1.941 -13.836 37 HE ARG 474 HE ARG 474 -3.944 0.503 -13.989 38 HH11 ARG 474 1HH1 ARG 474 -5.848 -2.701 -12.526 39 HH12 ARG 474 2HH1 ARG 474 -6.624 -1.153 -12.507 40 HH21 ARG 474 1HH2 ARG 474 -3.735 -2.915 -13.387 41 HH22 ARG 474 2HH2 ARG 474 -2.912 -1.531 -14.021 42 H LYS 475 H LYS 475 -8.793 1.543 -9.294 43 HA LYS 475 HA LYS 475 -7.819 3.252 -7.121 44 HB2 LYS 475 1HB LYS 475 -10.035 4.048 -7.347 45 HB3 LYS 475 2HB LYS 475 -10.675 2.430 -7.606 46 HG2 LYS 475 1HG LYS 475 -10.562 1.885 -5.360 47 HG3 LYS 475 2HG LYS 475 -9.370 3.138 -5.012 48 HD2 LYS 475 1HD LYS 475 -11.562 3.731 -4.113 49 HD3 LYS 475 2HD LYS 475 -11.067 4.859 -5.376 50 HE2 LYS 475 1HE LYS 475 -12.471 3.670 -6.987 51 HE3 LYS 475 2HE LYS 475 -12.957 2.533 -5.729 52 HZ1 LYS 475 1HZ LYS 475 -13.374 5.305 -5.048 53 HZ2 LYS 475 2HZ LYS 475 -14.413 3.980 -4.880 54 HZ3 LYS 475 3HZ LYS 475 -14.292 4.779 -6.368 55 H PHE 476 H PHE 476 -7.618 2.197 -5.094 56 HA PHE 476 HA PHE 476 -7.928 -0.722 -5.138 57 HB2 PHE 476 1HB PHE 476 -5.425 0.843 -4.714 58 HB3 PHE 476 2HB PHE 476 -5.660 -0.615 -3.756 59 HD1 PHE 476 1HD PHE 476 -5.187 -2.708 -4.654 60 HD2 PHE 476 2HD PHE 476 -5.595 0.642 -7.247 61 HE1 PHE 476 1HE PHE 476 -4.392 -4.075 -6.539 62 HE2 PHE 476 2HE PHE 476 -4.801 -0.719 -9.136 63 HZ PHE 476 HZ PHE 476 -4.198 -3.081 -8.784 64 H ILE 477 H ILE 477 -7.946 -1.706 -3.010 65 HA ILE 477 HA ILE 477 -8.545 0.166 -0.823 66 HB ILE 477 HB ILE 477 -10.661 -0.690 -1.849 67 HG12 ILE 477 1HG1 ILE 477 -11.395 -1.752 0.515 68 HG13 ILE 477 2HG1 ILE 477 -9.860 -1.032 0.988 69 HG21 ILE 477 1HG2 ILE 477 -10.365 -3.321 -0.578 70 HG22 ILE 477 2HG2 ILE 477 -11.125 -2.874 -2.104 71 HG23 ILE 477 3HG2 ILE 477 -9.375 -3.071 -2.016 72 HD11 ILE 477 1HD1 ILE 477 -11.182 0.923 -0.506 73 HD12 ILE 477 2HD1 ILE 477 -12.399 0.215 0.556 74 HD13 ILE 477 3HD1 ILE 477 -10.920 0.889 1.238 75 H ALA 478 H ALA 478 -7.707 -0.377 1.111 76 HA ALA 478 HA ALA 478 -5.890 -2.604 1.237 77 HB1 ALA 478 1HB ALA 478 -6.434 -0.200 2.814 78 HB2 ALA 478 2HB ALA 478 -5.962 -1.603 3.773 79 HB3 ALA 478 3HB ALA 478 -4.909 -1.022 2.482 80 H VAL 479 H VAL 479 -6.240 -4.557 2.086 81 HA VAL 479 HA VAL 479 -8.816 -5.037 3.419 82 HB VAL 479 HB VAL 479 -8.301 -7.468 2.937 83 HG11 VAL 479 1HG1 VAL 479 -9.529 -7.300 1.065 84 HG12 VAL 479 2HG1 VAL 479 -9.548 -5.576 1.436 85 HG13 VAL 479 3HG1 VAL 479 -8.377 -6.218 0.284 86 HG21 VAL 479 1HG2 VAL 479 -6.541 -6.876 0.720 87 HG22 VAL 479 2HG2 VAL 479 -5.802 -6.448 2.263 88 HG23 VAL 479 3HG2 VAL 479 -6.382 -8.091 1.989 89 H LYS 480 H LYS 480 -5.419 -5.003 3.920 90 HA LYS 480 HA LYS 480 -5.817 -6.124 6.614 91 HB2 LYS 480 1HB LYS 480 -3.204 -6.403 5.168 92 HB3 LYS 480 2HB LYS 480 -3.820 -7.333 6.526 93 HG2 LYS 480 1HG LYS 480 -4.861 -7.466 3.703 94 HG3 LYS 480 2HG LYS 480 -3.780 -8.638 4.460 95 HD2 LYS 480 1HD LYS 480 -6.197 -8.098 6.012 96 HD3 LYS 480 2HD LYS 480 -6.517 -8.788 4.418 97 HE2 LYS 480 1HE LYS 480 -6.270 -10.674 5.736 98 HE3 LYS 480 2HE LYS 480 -4.656 -10.477 5.052 99 HZ1 LYS 480 1HZ LYS 480 -5.235 -10.722 7.689 100 HZ2 LYS 480 2HZ LYS 480 -5.019 -9.054 7.518 101 HZ3 LYS 480 3HZ LYS 480 -3.787 -10.117 7.056 102 H ALA 481 H ALA 481 -3.527 -5.598 7.835 103 HA ALA 481 HA ALA 481 -3.291 -2.670 7.651 104 HB1 ALA 481 1HB ALA 481 -2.235 -3.843 10.084 105 HB2 ALA 481 2HB ALA 481 -3.436 -2.568 9.872 106 HB3 ALA 481 3HB ALA 481 -3.929 -4.259 9.823 107 H HIS 482 H HIS 482 -1.191 -1.726 8.135 108 HA HIS 482 HA HIS 482 1.175 -3.304 8.167 109 HB2 HIS 482 1HB HIS 482 0.487 -3.587 5.786 110 HB3 HIS 482 2HB HIS 482 0.606 -1.842 5.581 111 HD1 HIS 482 1HD HIS 482 2.754 -4.872 6.224 112 HD2 HIS 482 2HD HIS 482 3.149 -0.880 5.145 113 HE1 HIS 482 1HE HIS 482 5.162 -4.591 5.559 114 H SER 483 H SER 483 3.079 -2.044 8.394 115 HA SER 483 HA SER 483 2.582 0.826 8.836 116 HB2 SER 483 1HB SER 483 4.749 -0.160 10.465 117 HB3 SER 483 2HB SER 483 3.264 0.650 10.964 118 HG SER 483 HG SER 483 3.625 -2.124 10.483 119 HA PRO 484 HA PRO 484 6.011 1.707 6.244 120 HB2 PRO 484 1HB PRO 484 7.013 3.940 7.419 121 HB3 PRO 484 2HB PRO 484 5.495 3.930 6.513 122 HG2 PRO 484 1HG PRO 484 5.935 3.809 9.471 123 HG3 PRO 484 2HG PRO 484 4.742 4.748 8.555 124 HD2 PRO 484 1HD PRO 484 4.120 2.429 9.808 125 HD3 PRO 484 2HD PRO 484 3.330 2.943 8.305 126 H GLN 485 H GLN 485 7.644 0.262 6.317 127 HA GLN 485 HA GLN 485 9.089 -0.589 8.502 128 HB2 GLN 485 1HB GLN 485 10.156 -0.310 5.688 129 HB3 GLN 485 2HB GLN 485 10.767 -1.389 6.935 130 HG2 GLN 485 1HG GLN 485 8.140 -1.540 5.490 131 HG3 GLN 485 2HG GLN 485 9.472 -2.695 5.452 132 HE21 GLN 485 1HE2 GLN 485 6.549 -3.122 8.095 133 HE22 GLN 485 2HE2 GLN 485 6.499 -2.077 6.721 134 H GLY 486 H GLY 486 9.492 2.313 6.601 135 HA2 GLY 486 1HA GLY 486 10.806 3.801 8.485 136 HA3 GLY 486 2HA GLY 486 12.091 2.959 7.632 137 H GLU 487 H GLU 487 12.158 3.231 5.260 138 HA GLU 487 HA GLU 487 11.042 5.821 4.415 139 HB2 GLU 487 1HB GLU 487 13.224 6.026 3.054 140 HB3 GLU 487 2HB GLU 487 13.280 6.376 4.776 141 HG2 GLU 487 1HG GLU 487 14.530 4.541 5.256 142 HG3 GLU 487 2HG GLU 487 13.868 3.602 3.920 143 H GLY 488 H GLY 488 9.762 5.589 2.713 144 HA2 GLY 488 1HA GLY 488 9.404 5.030 0.427 145 HA3 GLY 488 2HA GLY 488 10.528 3.691 0.608 146 H GLU 489 H GLU 489 8.142 4.182 3.058 147 HA GLU 489 HA GLU 489 6.323 2.238 1.862 148 HB2 GLU 489 1HB GLU 489 7.537 1.822 4.598 149 HB3 GLU 489 2HB GLU 489 6.348 0.789 3.815 150 HG2 GLU 489 1HG GLU 489 8.224 -0.396 3.365 151 HG3 GLU 489 2HG GLU 489 8.208 0.656 1.950 152 H ILE 490 H ILE 490 4.226 2.379 2.597 153 HA ILE 490 HA ILE 490 3.688 4.542 4.526 154 HB ILE 490 HB ILE 490 1.423 4.652 3.277 155 HG12 ILE 490 1HG1 ILE 490 3.169 3.400 1.146 156 HG13 ILE 490 2HG1 ILE 490 1.790 2.626 1.919 157 HG21 ILE 490 1HG2 ILE 490 3.793 5.655 1.732 158 HG22 ILE 490 2HG2 ILE 490 2.216 6.413 1.945 159 HG23 ILE 490 3HG2 ILE 490 3.342 6.327 3.299 160 HD11 ILE 490 1HD1 ILE 490 1.862 4.392 -0.334 161 HD12 ILE 490 2HD1 ILE 490 0.522 3.441 0.304 162 HD13 ILE 490 3HD1 ILE 490 0.834 5.058 0.933 163 HA PRO 491 HA PRO 491 1.381 1.759 7.014 164 HB2 PRO 491 1HB PRO 491 -0.621 3.355 7.917 165 HB3 PRO 491 2HB PRO 491 1.051 3.505 8.469 166 HG2 PRO 491 1HG PRO 491 -0.415 5.114 6.415 167 HG3 PRO 491 2HG PRO 491 0.687 5.665 7.690 168 HD2 PRO 491 1HD PRO 491 1.464 5.388 5.111 169 HD3 PRO 491 2HD PRO 491 2.568 5.116 6.474 170 H LEU 492 H LEU 492 -0.874 0.908 7.405 171 HA LEU 492 HA LEU 492 -2.755 1.252 5.228 172 HB2 LEU 492 1HB LEU 492 -1.282 -1.321 5.720 173 HB3 LEU 492 2HB LEU 492 -2.830 -1.262 4.879 174 HG LEU 492 HG LEU 492 -0.250 0.021 3.980 175 HD11 LEU 492 1HD1 LEU 492 0.039 -2.180 3.431 176 HD12 LEU 492 2HD1 LEU 492 -0.839 -1.617 2.009 177 HD13 LEU 492 3HD1 LEU 492 -1.691 -2.488 3.284 178 HD21 LEU 492 1HD2 LEU 492 -1.494 1.384 2.747 179 HD22 LEU 492 2HD2 LEU 492 -2.976 0.631 3.336 180 HD23 LEU 492 3HD2 LEU 492 -2.157 -0.025 1.918 181 H HIS 493 H HIS 493 -4.836 0.563 5.724 182 HA HIS 493 HA HIS 493 -5.302 -0.800 8.253 183 HB2 HIS 493 1HB HIS 493 -5.743 2.065 7.828 184 HB3 HIS 493 2HB HIS 493 -7.168 1.218 8.422 185 HD1 HIS 493 1HD HIS 493 -7.250 0.765 10.871 186 HD2 HIS 493 2HD HIS 493 -3.420 1.725 9.576 187 HE1 HIS 493 1HE HIS 493 -5.862 0.957 12.959 188 H ARG 494 H ARG 494 -7.008 -2.134 8.150 189 HA ARG 494 HA ARG 494 -8.244 -2.823 5.797 190 HB2 ARG 494 1HB ARG 494 -10.018 -3.875 7.251 191 HB3 ARG 494 2HB ARG 494 -8.363 -4.323 7.639 192 HG2 ARG 494 1HG ARG 494 -8.379 -2.662 9.467 193 HG3 ARG 494 2HG ARG 494 -10.074 -2.328 9.106 194 HD2 ARG 494 1HD ARG 494 -10.446 -4.838 9.430 195 HD3 ARG 494 2HD ARG 494 -8.843 -4.855 10.164 196 HE ARG 494 HE ARG 494 -10.381 -2.840 11.370 197 HH11 ARG 494 1HH1 ARG 494 -10.880 -6.569 12.740 198 HH12 ARG 494 2HH1 ARG 494 -10.191 -6.311 11.172 199 HH21 ARG 494 1HH2 ARG 494 -11.506 -4.780 14.027 200 HH22 ARG 494 2HH2 ARG 494 -11.291 -3.168 13.437 201 H GLY 495 H GLY 495 -9.581 -1.758 4.502 202 HA2 GLY 495 1HA GLY 495 -11.716 -0.763 4.086 203 HA3 GLY 495 2HA GLY 495 -11.674 -0.080 5.705 204 H GLU 496 H GLU 496 -8.659 0.326 4.453 205 HA GLU 496 HA GLU 496 -9.112 3.138 4.006 206 HB2 GLU 496 1HB GLU 496 -6.708 1.370 4.193 207 HB3 GLU 496 2HB GLU 496 -6.544 2.956 3.452 208 HG2 GLU 496 1HG GLU 496 -7.719 3.793 5.612 209 HG3 GLU 496 2HG GLU 496 -7.195 2.245 6.273 210 H ALA 497 H ALA 497 -8.500 4.286 2.101 211 HA ALA 497 HA ALA 497 -8.957 2.722 -0.333 212 HB1 ALA 497 1HB ALA 497 -9.455 5.533 0.462 213 HB2 ALA 497 2HB ALA 497 -9.094 5.219 -1.236 214 HB3 ALA 497 3HB ALA 497 -10.462 4.419 -0.462 215 H VAL 498 H VAL 498 -7.086 1.965 -1.131 216 HA VAL 498 HA VAL 498 -4.718 3.688 -1.132 217 HB VAL 498 HB VAL 498 -4.709 0.871 -2.147 218 HG11 VAL 498 1HG1 VAL 498 -2.426 0.900 -1.344 219 HG12 VAL 498 2HG1 VAL 498 -2.712 2.300 -2.379 220 HG13 VAL 498 3HG1 VAL 498 -2.670 2.492 -0.627 221 HG21 VAL 498 1HG2 VAL 498 -5.883 0.692 -0.047 222 HG22 VAL 498 2HG2 VAL 498 -4.237 0.095 0.158 223 HG23 VAL 498 3HG2 VAL 498 -4.675 1.696 0.755 224 H LYS 499 H LYS 499 -3.477 4.001 -3.048 225 HA LYS 499 HA LYS 499 -4.947 3.566 -5.559 226 HB2 LYS 499 1HB LYS 499 -4.748 6.017 -4.397 227 HB3 LYS 499 2HB LYS 499 -3.310 6.016 -5.410 228 HG2 LYS 499 1HG LYS 499 -4.900 6.947 -6.794 229 HG3 LYS 499 2HG LYS 499 -4.921 5.251 -7.283 230 HD2 LYS 499 1HD LYS 499 -7.186 5.910 -7.083 231 HD3 LYS 499 2HD LYS 499 -6.828 4.938 -5.653 232 HE2 LYS 499 1HE LYS 499 -7.019 6.703 -4.241 233 HE3 LYS 499 2HE LYS 499 -6.379 7.850 -5.417 234 HZ1 LYS 499 1HZ LYS 499 -9.134 6.788 -5.217 235 HZ2 LYS 499 2HZ LYS 499 -8.569 7.559 -6.612 236 HZ3 LYS 499 3HZ LYS 499 -8.626 8.399 -5.145 237 H VAL 500 H VAL 500 -3.691 1.950 -6.358 238 HA VAL 500 HA VAL 500 -0.863 1.866 -6.155 239 HB VAL 500 HB VAL 500 -2.699 0.417 -8.068 240 HG11 VAL 500 1HG1 VAL 500 -0.604 -1.199 -7.922 241 HG12 VAL 500 2HG1 VAL 500 -0.694 0.104 -9.109 242 HG13 VAL 500 3HG1 VAL 500 0.237 0.323 -7.627 243 HG21 VAL 500 1HG2 VAL 500 -2.643 -1.403 -6.541 244 HG22 VAL 500 2HG2 VAL 500 -1.408 -0.624 -5.553 245 HG23 VAL 500 3HG2 VAL 500 -3.043 0.035 -5.603 246 H LEU 501 H LEU 501 0.707 2.612 -7.469 247 HA LEU 501 HA LEU 501 -0.098 3.891 -9.994 248 HB2 LEU 501 1HB LEU 501 1.144 5.071 -7.664 249 HB3 LEU 501 2HB LEU 501 2.149 5.268 -9.099 250 HG LEU 501 HG LEU 501 0.314 6.389 -10.247 251 HD11 LEU 501 1HD1 LEU 501 -1.194 5.424 -7.916 252 HD12 LEU 501 2HD1 LEU 501 -1.728 5.744 -9.565 253 HD13 LEU 501 3HD1 LEU 501 -1.556 7.075 -8.421 254 HD21 LEU 501 1HD2 LEU 501 0.594 7.673 -7.548 255 HD22 LEU 501 2HD2 LEU 501 0.470 8.441 -9.131 256 HD23 LEU 501 3HD2 LEU 501 1.944 7.583 -8.680 257 H SER 502 H SER 502 2.636 2.618 -8.116 258 HA SER 502 HA SER 502 3.846 1.734 -10.655 259 HB2 SER 502 1HB SER 502 5.034 3.066 -8.282 260 HB3 SER 502 2HB SER 502 5.989 1.785 -9.028 261 HG SER 502 HG SER 502 4.891 4.016 -10.401 262 H ILE 503 H ILE 503 5.276 -0.186 -10.420 263 HA ILE 503 HA ILE 503 4.329 -2.002 -8.303 264 HB ILE 503 HB ILE 503 4.803 -2.750 -11.191 265 HG12 ILE 503 1HG1 ILE 503 2.728 -1.471 -10.878 266 HG13 ILE 503 2HG1 ILE 503 2.384 -3.150 -11.274 267 HG21 ILE 503 1HG2 ILE 503 3.387 -4.711 -9.669 268 HG22 ILE 503 2HG2 ILE 503 4.918 -4.864 -10.530 269 HG23 ILE 503 3HG2 ILE 503 4.899 -4.316 -8.853 270 HD11 ILE 503 1HD1 ILE 503 2.358 -2.034 -8.483 271 HD12 ILE 503 2HD1 ILE 503 0.932 -2.208 -9.508 272 HD13 ILE 503 3HD1 ILE 503 1.833 -3.636 -9.000 273 H GLY 504 H GLY 504 5.881 -3.036 -7.211 274 HA2 GLY 504 1HA GLY 504 8.643 -2.520 -7.886 275 HA3 GLY 504 2HA GLY 504 8.055 -3.368 -6.463 276 H GLU 505 H GLU 505 8.976 -5.308 -6.415 277 HA GLU 505 HA GLU 505 9.677 -6.705 -8.839 278 HB2 GLU 505 1HB GLU 505 9.960 -7.391 -5.915 279 HB3 GLU 505 2HB GLU 505 10.443 -8.486 -7.203 280 HG2 GLU 505 1HG GLU 505 11.888 -6.559 -8.053 281 HG3 GLU 505 2HG GLU 505 11.609 -5.826 -6.474 282 H GLY 506 H GLY 506 7.909 -7.855 -5.961 283 HA2 GLY 506 1HA GLY 506 5.652 -8.712 -7.516 284 HA3 GLY 506 2HA GLY 506 6.695 -10.048 -7.052 285 H GLY 507 H GLY 507 5.228 -7.163 -5.543 286 HA2 GLY 507 1HA GLY 507 3.481 -8.229 -3.817 287 HA3 GLY 507 2HA GLY 507 5.005 -8.585 -3.018 288 H PHE 508 H PHE 508 5.965 -5.953 -4.362 289 HA PHE 508 HA PHE 508 4.762 -4.153 -2.362 290 HB2 PHE 508 1HB PHE 508 7.384 -4.997 -2.409 291 HB3 PHE 508 2HB PHE 508 7.467 -3.448 -3.243 292 HD1 PHE 508 1HD PHE 508 8.252 -1.824 -1.832 293 HD2 PHE 508 2HD PHE 508 5.483 -4.689 -0.336 294 HE1 PHE 508 1HE PHE 508 8.219 -0.655 0.332 295 HE2 PHE 508 2HE PHE 508 5.444 -3.524 1.831 296 HZ PHE 508 HZ PHE 508 6.813 -1.504 2.167 297 H TRP 509 H TRP 509 3.519 -2.730 -3.379 298 HA TRP 509 HA TRP 509 4.454 -1.637 -5.952 299 HB2 TRP 509 1HB TRP 509 1.602 -1.771 -4.952 300 HB3 TRP 509 2HB TRP 509 2.138 -1.251 -6.548 301 HD1 TRP 509 HD TRP 509 4.290 -3.911 -6.491 302 HE1 TRP 509 1HE TRP 509 3.273 -6.146 -7.261 303 HE3 TRP 509 3HE TRP 509 -0.666 -2.779 -5.945 304 HZ2 TRP 509 2HZ TRP 509 0.709 -7.280 -7.593 305 HZ3 TRP 509 3HZ TRP 509 -2.336 -4.495 -6.510 306 HH2 TRP 509 HH TRP 509 -1.662 -6.697 -7.318 307 H GLU 510 H GLU 510 4.146 0.600 -6.352 308 HA GLU 510 HA GLU 510 4.155 2.199 -3.895 309 HB2 GLU 510 1HB GLU 510 5.992 3.003 -4.920 310 HB3 GLU 510 2HB GLU 510 5.504 2.374 -6.488 311 HG2 GLU 510 1HG GLU 510 5.675 4.767 -6.590 312 HG3 GLU 510 2HG GLU 510 3.988 4.286 -6.764 313 H GLY 511 H GLY 511 2.568 3.587 -3.414 314 HA2 GLY 511 1HA GLY 511 0.896 4.755 -5.456 315 HA3 GLY 511 2HA GLY 511 0.069 3.563 -4.465 316 H THR 512 H THR 512 -1.333 5.276 -3.777 317 HA THR 512 HA THR 512 -0.164 6.819 -1.570 318 HB THR 512 HB THR 512 -2.056 7.925 -3.651 319 HG1 THR 512 1HG THR 512 -0.346 9.070 -4.317 320 HG21 THR 512 1HG2 THR 512 -1.340 10.035 -2.086 321 HG22 THR 512 2HG2 THR 512 -1.479 8.746 -0.890 322 HG23 THR 512 3HG2 THR 512 -2.850 9.139 -1.926 323 H VAL 513 H VAL 513 -1.417 6.981 0.236 324 HA VAL 513 HA VAL 513 -4.216 6.193 0.143 325 HB VAL 513 HB VAL 513 -2.783 4.104 0.497 326 HG11 VAL 513 1HG1 VAL 513 -2.597 4.911 3.354 327 HG12 VAL 513 2HG1 VAL 513 -1.613 3.772 2.433 328 HG13 VAL 513 3HG1 VAL 513 -1.375 5.508 2.231 329 HG21 VAL 513 1HG2 VAL 513 -4.305 3.543 2.620 330 HG22 VAL 513 2HG2 VAL 513 -5.104 5.023 2.088 331 HG23 VAL 513 3HG2 VAL 513 -4.954 3.656 0.984 332 H LYS 514 H LYS 514 -5.417 7.249 1.617 333 HA LYS 514 HA LYS 514 -5.964 8.814 3.179 334 HB2 LYS 514 1HB LYS 514 -3.623 7.740 4.749 335 HB3 LYS 514 2HB LYS 514 -5.095 8.472 5.374 336 HG2 LYS 514 1HG LYS 514 -4.952 5.841 3.916 337 HG3 LYS 514 2HG LYS 514 -5.049 6.037 5.667 338 HD2 LYS 514 1HD LYS 514 -7.107 7.213 3.821 339 HD3 LYS 514 2HD LYS 514 -7.224 5.554 4.412 340 HE2 LYS 514 1HE LYS 514 -8.442 6.637 6.016 341 HE3 LYS 514 2HE LYS 514 -6.839 6.718 6.744 342 HZ1 LYS 514 1HZ LYS 514 -8.426 8.832 6.396 343 HZ2 LYS 514 2HZ LYS 514 -7.512 8.912 4.975 344 HZ3 LYS 514 3HZ LYS 514 -6.740 8.931 6.480 345 H GLY 515 H GLY 515 -3.907 9.489 1.135 346 HA2 GLY 515 1HA GLY 515 -3.057 11.647 0.696 347 HA3 GLY 515 2HA GLY 515 -2.985 11.946 2.426 348 H ARG 516 H ARG 516 -1.650 9.305 2.849 349 HA ARG 516 HA ARG 516 1.040 10.257 2.580 350 HB2 ARG 516 1HB ARG 516 -0.017 7.587 3.528 351 HB3 ARG 516 2HB ARG 516 1.653 8.120 3.664 352 HG2 ARG 516 1HG ARG 516 1.013 8.748 5.719 353 HG3 ARG 516 2HG ARG 516 0.395 10.170 4.877 354 HD2 ARG 516 1HD ARG 516 -1.775 9.528 5.098 355 HD3 ARG 516 2HD ARG 516 -1.386 7.810 5.019 356 HE ARG 516 HE ARG 516 -1.335 7.787 7.294 357 HH11 ARG 516 1HH1 ARG 516 -0.811 11.722 7.813 358 HH12 ARG 516 2HH1 ARG 516 -0.820 11.056 6.214 359 HH21 ARG 516 1HH2 ARG 516 -1.099 10.353 9.628 360 HH22 ARG 516 2HH2 ARG 516 -1.326 8.652 9.405 361 H THR 517 H THR 517 2.657 9.526 1.257 362 HA THR 517 HA THR 517 1.823 7.738 -0.935 363 HB THR 517 HB THR 517 3.905 9.929 -1.028 364 HG1 THR 517 1HG THR 517 2.088 11.049 -1.225 365 HG21 THR 517 1HG2 THR 517 4.642 8.453 -2.635 366 HG22 THR 517 2HG2 THR 517 3.504 9.417 -3.576 367 HG23 THR 517 3HG2 THR 517 3.024 7.835 -2.962 368 H GLY 518 H GLY 518 3.251 6.156 -1.660 369 HA2 GLY 518 1HA GLY 518 5.847 5.679 -1.237 370 HA3 GLY 518 2HA GLY 518 5.175 5.282 0.338 371 H TRP 519 H TRP 519 6.204 3.172 -0.306 372 HA TRP 519 HA TRP 519 4.588 1.615 -2.179 373 HB2 TRP 519 1HB TRP 519 7.110 0.842 -0.696 374 HB3 TRP 519 2HB TRP 519 6.321 -0.100 -1.958 375 HD1 TRP 519 HD TRP 519 8.040 3.357 -1.565 376 HE1 TRP 519 1HE TRP 519 9.180 3.930 -3.799 377 HE3 TRP 519 3HE TRP 519 6.497 -0.664 -4.319 378 HZ2 TRP 519 2HZ TRP 519 9.396 2.825 -6.388 379 HZ3 TRP 519 3HZ TRP 519 7.214 -0.830 -6.667 380 HH2 TRP 519 HH TRP 519 8.633 0.879 -7.678 381 H PHE 520 H PHE 520 3.646 -0.394 -1.588 382 HA PHE 520 HA PHE 520 3.454 -1.042 1.238 383 HB2 PHE 520 1HB PHE 520 0.940 -1.094 1.110 384 HB3 PHE 520 2HB PHE 520 1.645 0.518 1.073 385 HD1 PHE 520 1HD PHE 520 0.103 -2.118 -0.997 386 HD2 PHE 520 2HD PHE 520 1.319 1.954 -0.770 387 HE1 PHE 520 1HE PHE 520 -1.116 -1.641 -3.080 388 HE2 PHE 520 2HE PHE 520 0.102 2.439 -2.852 389 HZ PHE 520 HZ PHE 520 -1.119 0.640 -4.010 390 HA PRO 521 HA PRO 521 3.221 -5.170 -0.229 391 HB2 PRO 521 1HB PRO 521 1.697 -6.348 1.685 392 HB3 PRO 521 2HB PRO 521 3.368 -5.840 1.965 393 HG2 PRO 521 1HG PRO 521 0.817 -4.452 2.695 394 HG3 PRO 521 2HG PRO 521 2.295 -4.655 3.654 395 HD2 PRO 521 1HD PRO 521 1.714 -2.358 2.344 396 HD3 PRO 521 2HD PRO 521 3.379 -2.925 2.584 397 H ALA 522 H ALA 522 2.108 -5.535 -2.056 398 HA ALA 522 HA ALA 522 -0.528 -4.836 -2.593 399 HB1 ALA 522 1HB ALA 522 1.233 -5.495 -4.257 400 HB2 ALA 522 2HB ALA 522 0.900 -7.175 -3.838 401 HB3 ALA 522 3HB ALA 522 -0.368 -6.176 -4.548 402 H ASP 523 H ASP 523 0.737 -7.515 -0.820 403 HA ASP 523 HA ASP 523 -1.481 -9.266 -1.063 404 HB2 ASP 523 1HB ASP 523 0.758 -10.001 -0.308 405 HB3 ASP 523 2HB ASP 523 0.546 -9.077 1.176 406 H CYS 524 H CYS 524 -1.172 -6.298 0.454 407 HA CYS 524 HA CYS 524 -3.347 -6.911 2.343 408 HB2 CYS 524 1HB CYS 524 -1.391 -4.603 2.413 409 HB3 CYS 524 2HB CYS 524 -2.635 -4.940 3.611 410 HG CYS 524 HG CYS 524 -1.281 -7.631 3.905 411 H VAL 525 H VAL 525 -2.980 -5.815 -0.650 412 HA VAL 525 HA VAL 525 -5.168 -3.860 -0.385 413 HB VAL 525 HB VAL 525 -4.297 -2.500 -2.100 414 HG11 VAL 525 1HG1 VAL 525 -3.002 -2.750 0.233 415 HG12 VAL 525 2HG1 VAL 525 -1.676 -3.102 -0.878 416 HG13 VAL 525 3HG1 VAL 525 -2.550 -1.574 -1.001 417 HG21 VAL 525 1HG2 VAL 525 -2.859 -4.931 -2.849 418 HG22 VAL 525 2HG2 VAL 525 -3.425 -3.595 -3.851 419 HG23 VAL 525 3HG2 VAL 525 -1.893 -3.462 -2.987 420 H GLU 526 H GLU 526 -6.706 -3.822 -2.074 421 HA GLU 526 HA GLU 526 -6.591 -6.049 -3.981 422 HB2 GLU 526 1HB GLU 526 -8.490 -5.696 -1.780 423 HB3 GLU 526 2HB GLU 526 -9.266 -5.933 -3.340 424 HG2 GLU 526 1HG GLU 526 -7.599 -7.923 -3.552 425 HG3 GLU 526 2HG GLU 526 -7.516 -7.783 -1.797 426 H GLU 527 H GLU 527 -7.041 -5.418 -5.985 427 HA GLU 527 HA GLU 527 -7.676 -2.741 -6.609 428 HB2 GLU 527 1HB GLU 527 -6.431 -4.417 -8.059 429 HB3 GLU 527 2HB GLU 527 -8.001 -5.095 -8.466 430 HG2 GLU 527 1HG GLU 527 -8.534 -2.583 -9.072 431 HG3 GLU 527 2HG GLU 527 -6.783 -2.511 -9.262 432 H VAL 528 H VAL 528 -9.548 -1.812 -7.440 433 HA VAL 528 HA VAL 528 -11.968 -2.525 -6.294 434 HB VAL 528 HB VAL 528 -13.029 -1.025 -7.995 435 HG11 VAL 528 1HG1 VAL 528 -11.523 -0.397 -5.839 436 HG12 VAL 528 2HG1 VAL 528 -10.691 0.520 -7.097 437 HG13 VAL 528 3HG1 VAL 528 -12.411 0.784 -6.804 438 HG21 VAL 528 1HG2 VAL 528 -10.564 0.036 -9.044 439 HG22 VAL 528 2HG2 VAL 528 -10.754 -1.660 -9.486 440 HG23 VAL 528 3HG2 VAL 528 -12.011 -0.493 -9.902 441 H GLN 529 H GLN 529 -10.468 -3.697 -9.185 442 HA GLN 529 HA GLN 529 -12.733 -4.671 -10.538 443 HB2 GLN 529 1HB GLN 529 -9.839 -5.508 -10.554 444 HB3 GLN 529 2HB GLN 529 -11.044 -6.291 -11.566 445 HG2 GLN 529 1HG GLN 529 -10.661 -3.324 -11.632 446 HG3 GLN 529 2HG GLN 529 -9.631 -4.403 -12.571 447 HE21 GLN 529 1HE2 GLN 529 -13.537 -3.830 -13.596 448 HE22 GLN 529 2HE2 GLN 529 -12.954 -3.399 -12.028 449 H MET 530 H MET 530 -11.241 -5.691 -7.656 450 HA MET 530 HA MET 530 -12.861 -8.146 -7.686 451 HB2 MET 530 1HB MET 530 -11.102 -9.315 -6.441 452 HB3 MET 530 2HB MET 530 -10.522 -8.775 -8.011 453 HG2 MET 530 1HG MET 530 -9.410 -6.880 -6.955 454 HG3 MET 530 2HG MET 530 -10.000 -7.409 -5.382 455 HE1 MET 530 1HE MET 530 -7.000 -9.379 -8.124 456 HE2 MET 530 2HE MET 530 -8.046 -7.987 -8.405 457 HE3 MET 530 3HE MET 530 -6.538 -7.791 -7.509 Start of MODEL 2 1 H1 MET 470 H MET 470 -14.033 -3.215 -17.827 2 HA MET 470 HA MET 470 -13.272 -0.590 -18.764 3 HB2 MET 470 1HB MET 470 -15.636 -1.751 -18.767 4 HB3 MET 470 2HB MET 470 -15.735 -1.088 -17.142 5 HG2 MET 470 1HG MET 470 -16.704 0.586 -18.353 6 HG3 MET 470 2HG MET 470 -15.029 1.131 -18.314 7 HE1 MET 470 1HE MET 470 -17.446 1.949 -20.178 8 HE2 MET 470 2HE MET 470 -17.290 1.460 -21.865 9 HE3 MET 470 3HE MET 470 -18.038 0.371 -20.697 10 H VAL 471 H VAL 471 -11.658 0.215 -17.487 11 HA VAL 471 HA VAL 471 -12.293 0.553 -14.626 12 HB VAL 471 HB VAL 471 -10.368 -0.847 -14.775 13 HG11 VAL 471 1HG1 VAL 471 -9.793 0.740 -17.099 14 HG12 VAL 471 2HG1 VAL 471 -8.386 0.681 -16.036 15 HG13 VAL 471 3HG1 VAL 471 -9.121 -0.814 -16.614 16 HG21 VAL 471 1HG2 VAL 471 -9.082 1.806 -14.308 17 HG22 VAL 471 2HG2 VAL 471 -10.399 1.284 -13.258 18 HG23 VAL 471 3HG2 VAL 471 -8.936 0.309 -13.388 19 HA PRO 472 HA PRO 472 -12.294 4.778 -16.444 20 HB2 PRO 472 1HB PRO 472 -14.242 5.710 -14.799 21 HB3 PRO 472 2HB PRO 472 -14.587 4.842 -16.299 22 HG2 PRO 472 1HG PRO 472 -14.568 3.825 -13.483 23 HG3 PRO 472 2HG PRO 472 -15.731 3.501 -14.782 24 HD2 PRO 472 1HD PRO 472 -13.775 1.754 -14.107 25 HD3 PRO 472 2HD PRO 472 -14.377 1.918 -15.768 26 H GLY 473 H GLY 473 -12.260 3.673 -13.090 27 HA2 GLY 473 1HA GLY 473 -10.378 5.856 -12.480 28 HA3 GLY 473 2HA GLY 473 -11.736 5.546 -11.409 29 H ARG 474 H ARG 474 -8.594 4.527 -12.424 30 HA ARG 474 HA ARG 474 -8.473 2.001 -11.215 31 HB2 ARG 474 1HB ARG 474 -6.668 3.796 -12.492 32 HB3 ARG 474 2HB ARG 474 -5.937 3.283 -10.978 33 HG2 ARG 474 1HG ARG 474 -7.000 0.967 -12.147 34 HG3 ARG 474 2HG ARG 474 -6.199 1.856 -13.445 35 HD2 ARG 474 1HD ARG 474 -4.371 2.093 -11.460 36 HD3 ARG 474 2HD ARG 474 -5.067 0.517 -11.081 37 HE ARG 474 HE ARG 474 -4.359 0.818 -13.846 38 HH11 ARG 474 1HH1 ARG 474 -1.892 -0.997 -11.269 39 HH12 ARG 474 2HH1 ARG 474 -3.194 -0.021 -10.674 40 HH21 ARG 474 1HH2 ARG 474 -1.581 -1.248 -13.524 41 HH22 ARG 474 2HH2 ARG 474 -2.647 -0.465 -14.641 42 H LYS 475 H LYS 475 -9.300 1.866 -9.180 43 HA LYS 475 HA LYS 475 -7.871 3.372 -7.091 44 HB2 LYS 475 1HB LYS 475 -9.990 4.373 -7.075 45 HB3 LYS 475 2HB LYS 475 -10.814 2.851 -7.387 46 HG2 LYS 475 1HG LYS 475 -10.680 2.169 -5.192 47 HG3 LYS 475 2HG LYS 475 -9.295 3.207 -4.845 48 HD2 LYS 475 1HD LYS 475 -12.061 4.247 -5.443 49 HD3 LYS 475 2HD LYS 475 -11.456 3.949 -3.811 50 HE2 LYS 475 1HE LYS 475 -9.532 5.489 -4.389 51 HE3 LYS 475 2HE LYS 475 -10.436 5.925 -5.839 52 HZ1 LYS 475 1HZ LYS 475 -10.665 7.141 -3.442 53 HZ2 LYS 475 2HZ LYS 475 -11.980 6.078 -3.414 54 HZ3 LYS 475 3HZ LYS 475 -11.827 7.200 -4.671 55 H PHE 476 H PHE 476 -7.480 2.285 -5.144 56 HA PHE 476 HA PHE 476 -8.009 -0.613 -5.188 57 HB2 PHE 476 1HB PHE 476 -5.450 0.860 -4.759 58 HB3 PHE 476 2HB PHE 476 -5.724 -0.611 -3.832 59 HD1 PHE 476 1HD PHE 476 -5.785 0.685 -7.317 60 HD2 PHE 476 2HD PHE 476 -5.202 -2.663 -4.756 61 HE1 PHE 476 1HE PHE 476 -5.059 -0.659 -9.245 62 HE2 PHE 476 2HE PHE 476 -4.473 -4.013 -6.680 63 HZ PHE 476 HZ PHE 476 -4.399 -3.010 -8.928 64 H ILE 477 H ILE 477 -7.911 -1.634 -3.037 65 HA ILE 477 HA ILE 477 -8.480 0.211 -0.827 66 HB ILE 477 HB ILE 477 -10.626 -0.605 -1.834 67 HG12 ILE 477 1HG1 ILE 477 -11.251 -1.728 0.581 68 HG13 ILE 477 2HG1 ILE 477 -9.774 -0.854 0.972 69 HG21 ILE 477 1HG2 ILE 477 -10.345 -3.245 -0.580 70 HG22 ILE 477 2HG2 ILE 477 -11.129 -2.780 -2.089 71 HG23 ILE 477 3HG2 ILE 477 -9.380 -3.001 -2.036 72 HD11 ILE 477 1HD1 ILE 477 -12.450 0.140 0.436 73 HD12 ILE 477 2HD1 ILE 477 -11.101 0.901 1.279 74 HD13 ILE 477 3HD1 ILE 477 -11.200 0.981 -0.480 75 H ALA 478 H ALA 478 -7.633 -0.380 1.091 76 HA ALA 478 HA ALA 478 -5.837 -2.626 1.153 77 HB1 ALA 478 1HB ALA 478 -5.865 -1.678 3.707 78 HB2 ALA 478 2HB ALA 478 -4.827 -1.075 2.415 79 HB3 ALA 478 3HB ALA 478 -6.340 -0.250 2.786 80 H VAL 479 H VAL 479 -6.142 -4.572 2.061 81 HA VAL 479 HA VAL 479 -8.739 -5.078 3.340 82 HB VAL 479 HB VAL 479 -8.177 -7.506 2.891 83 HG11 VAL 479 1HG1 VAL 479 -8.228 -6.283 0.227 84 HG12 VAL 479 2HG1 VAL 479 -9.381 -7.372 1.001 85 HG13 VAL 479 3HG1 VAL 479 -9.425 -5.643 1.352 86 HG21 VAL 479 1HG2 VAL 479 -6.240 -8.109 1.972 87 HG22 VAL 479 2HG2 VAL 479 -6.385 -6.895 0.700 88 HG23 VAL 479 3HG2 VAL 479 -5.684 -6.460 2.259 89 H LYS 480 H LYS 480 -5.360 -4.974 3.919 90 HA LYS 480 HA LYS 480 -5.800 -6.069 6.616 91 HB2 LYS 480 1HB LYS 480 -3.160 -6.368 5.221 92 HB3 LYS 480 2HB LYS 480 -3.801 -7.278 6.584 93 HG2 LYS 480 1HG LYS 480 -4.789 -7.458 3.745 94 HG3 LYS 480 2HG LYS 480 -3.718 -8.614 4.539 95 HD2 LYS 480 1HD LYS 480 -6.162 -8.059 6.043 96 HD3 LYS 480 2HD LYS 480 -6.458 -8.768 4.453 97 HE2 LYS 480 1HE LYS 480 -6.238 -10.622 5.843 98 HE3 LYS 480 2HE LYS 480 -4.643 -10.469 5.107 99 HZ1 LYS 480 1HZ LYS 480 -3.701 -9.821 7.054 100 HZ2 LYS 480 2HZ LYS 480 -4.943 -10.780 7.685 101 HZ3 LYS 480 3HZ LYS 480 -5.111 -9.097 7.648 102 H ALA 481 H ALA 481 -3.534 -5.519 7.869 103 HA ALA 481 HA ALA 481 -3.298 -2.594 7.641 104 HB1 ALA 481 1HB ALA 481 -3.318 -2.427 9.883 105 HB2 ALA 481 2HB ALA 481 -4.073 -4.019 9.804 106 HB3 ALA 481 3HB ALA 481 -2.342 -3.879 10.104 107 H HIS 482 H HIS 482 -1.193 -1.657 8.237 108 HA HIS 482 HA HIS 482 1.167 -3.217 8.310 109 HB2 HIS 482 1HB HIS 482 0.525 -3.555 5.920 110 HB3 HIS 482 2HB HIS 482 0.654 -1.815 5.679 111 HD1 HIS 482 1HD HIS 482 2.799 -4.810 6.523 112 HD2 HIS 482 2HD HIS 482 3.190 -0.895 5.190 113 HE1 HIS 482 1HE HIS 482 5.218 -4.556 5.883 114 H SER 483 H SER 483 3.063 -1.947 8.546 115 HA SER 483 HA SER 483 2.552 0.932 8.908 116 HB2 SER 483 1HB SER 483 4.681 -0.046 10.607 117 HB3 SER 483 2HB SER 483 3.215 0.830 11.049 118 HG SER 483 HG SER 483 2.301 -0.986 11.603 119 HA PRO 484 HA PRO 484 6.027 1.735 6.350 120 HB2 PRO 484 1HB PRO 484 6.954 4.042 7.441 121 HB3 PRO 484 2HB PRO 484 5.465 3.957 6.493 122 HG2 PRO 484 1HG PRO 484 5.819 3.991 9.466 123 HG3 PRO 484 2HG PRO 484 4.637 4.861 8.470 124 HD2 PRO 484 1HD PRO 484 4.019 2.595 9.818 125 HD3 PRO 484 2HD PRO 484 3.264 3.020 8.269 126 H GLN 485 H GLN 485 7.681 0.324 6.543 127 HA GLN 485 HA GLN 485 9.088 -0.319 8.851 128 HB2 GLN 485 1HB GLN 485 9.912 -0.457 5.951 129 HB3 GLN 485 2HB GLN 485 10.876 -1.129 7.260 130 HG2 GLN 485 1HG GLN 485 8.168 -1.988 6.306 131 HG3 GLN 485 2HG GLN 485 9.658 -2.926 6.386 132 HE21 GLN 485 1HE2 GLN 485 7.254 -2.522 9.635 133 HE22 GLN 485 2HE2 GLN 485 7.021 -1.569 8.214 134 H GLY 486 H GLY 486 9.394 2.412 6.746 135 HA2 GLY 486 1HA GLY 486 10.807 4.028 8.430 136 HA3 GLY 486 2HA GLY 486 12.051 3.132 7.571 137 H GLU 487 H GLU 487 12.127 3.311 5.238 138 HA GLU 487 HA GLU 487 10.927 5.821 4.265 139 HB2 GLU 487 1HB GLU 487 13.551 4.757 3.257 140 HB3 GLU 487 2HB GLU 487 12.901 6.386 3.126 141 HG2 GLU 487 1HG GLU 487 13.063 6.039 5.833 142 HG3 GLU 487 2HG GLU 487 14.472 5.155 5.251 143 H GLY 488 H GLY 488 9.986 5.810 2.277 144 HA2 GLY 488 1HA GLY 488 9.262 5.013 0.232 145 HA3 GLY 488 2HA GLY 488 10.441 3.716 0.368 146 H GLU 489 H GLU 489 8.052 4.347 2.841 147 HA GLU 489 HA GLU 489 6.319 2.221 1.876 148 HB2 GLU 489 1HB GLU 489 7.698 2.061 4.561 149 HB3 GLU 489 2HB GLU 489 6.441 0.971 3.994 150 HG2 GLU 489 1HG GLU 489 8.076 0.558 2.012 151 HG3 GLU 489 2HG GLU 489 9.283 1.194 3.128 152 H ILE 490 H ILE 490 4.242 2.299 2.707 153 HA ILE 490 HA ILE 490 3.673 4.536 4.540 154 HB ILE 490 HB ILE 490 1.417 4.621 3.272 155 HG12 ILE 490 1HG1 ILE 490 3.190 3.357 1.170 156 HG13 ILE 490 2HG1 ILE 490 1.801 2.589 1.932 157 HG21 ILE 490 1HG2 ILE 490 3.847 5.625 1.810 158 HG22 ILE 490 2HG2 ILE 490 2.236 6.340 1.855 159 HG23 ILE 490 3HG2 ILE 490 3.244 6.345 3.302 160 HD11 ILE 490 1HD1 ILE 490 0.542 3.396 0.308 161 HD12 ILE 490 2HD1 ILE 490 0.875 5.023 0.903 162 HD13 ILE 490 3HD1 ILE 490 1.900 4.313 -0.345 163 HA PRO 491 HA PRO 491 1.353 1.767 7.032 164 HB2 PRO 491 1HB PRO 491 -0.681 3.353 7.882 165 HB3 PRO 491 2HB PRO 491 0.982 3.531 8.457 166 HG2 PRO 491 1HG PRO 491 -0.473 5.092 6.359 167 HG3 PRO 491 2HG PRO 491 0.604 5.675 7.641 168 HD2 PRO 491 1HD PRO 491 1.423 5.369 5.078 169 HD3 PRO 491 2HD PRO 491 2.508 5.131 6.462 170 H LEU 492 H LEU 492 -0.917 0.922 7.414 171 HA LEU 492 HA LEU 492 -2.771 1.210 5.212 172 HB2 LEU 492 1HB LEU 492 -1.248 -1.329 5.719 173 HB3 LEU 492 2HB LEU 492 -2.801 -1.315 4.886 174 HG LEU 492 HG LEU 492 -0.257 0.021 3.963 175 HD11 LEU 492 1HD1 LEU 492 -1.677 -2.502 3.238 176 HD12 LEU 492 2HD1 LEU 492 0.045 -2.207 3.470 177 HD13 LEU 492 3HD1 LEU 492 -0.760 -1.628 2.011 178 HD21 LEU 492 1HD2 LEU 492 -2.997 0.574 3.334 179 HD22 LEU 492 2HD2 LEU 492 -2.180 -0.081 1.915 180 HD23 LEU 492 3HD2 LEU 492 -1.534 1.347 2.724 181 H HIS 493 H HIS 493 -4.846 0.514 5.703 182 HA HIS 493 HA HIS 493 -5.315 -0.869 8.221 183 HB2 HIS 493 1HB HIS 493 -5.593 1.976 7.941 184 HB3 HIS 493 2HB HIS 493 -7.179 1.260 8.212 185 HD1 HIS 493 1HD HIS 493 -7.696 0.420 10.539 186 HD2 HIS 493 2HD HIS 493 -3.725 1.547 10.067 187 HE1 HIS 493 1HE HIS 493 -6.713 0.405 12.854 188 H ARG 494 H ARG 494 -7.021 -2.203 8.106 189 HA ARG 494 HA ARG 494 -8.237 -2.903 5.750 190 HB2 ARG 494 1HB ARG 494 -10.075 -3.872 7.245 191 HB3 ARG 494 2HB ARG 494 -8.430 -4.424 7.529 192 HG2 ARG 494 1HG ARG 494 -8.263 -3.341 9.539 193 HG3 ARG 494 2HG ARG 494 -9.456 -2.116 9.101 194 HD2 ARG 494 1HD ARG 494 -10.052 -5.013 9.694 195 HD3 ARG 494 2HD ARG 494 -10.299 -3.670 10.808 196 HE ARG 494 HE ARG 494 -11.686 -3.077 8.473 197 HH11 ARG 494 1HH1 ARG 494 -13.467 -5.724 10.890 198 HH12 ARG 494 2HH1 ARG 494 -11.760 -5.453 11.016 199 HH21 ARG 494 1HH2 ARG 494 -14.702 -4.570 9.343 200 HH22 ARG 494 2HH2 ARG 494 -13.932 -3.425 8.298 201 H GLY 495 H GLY 495 -9.556 -1.846 4.431 202 HA2 GLY 495 1HA GLY 495 -11.675 -0.843 3.972 203 HA3 GLY 495 2HA GLY 495 -11.666 -0.161 5.592 204 H GLU 496 H GLU 496 -8.626 0.247 4.399 205 HA GLU 496 HA GLU 496 -9.054 3.061 3.970 206 HB2 GLU 496 1HB GLU 496 -6.673 1.264 4.141 207 HB3 GLU 496 2HB GLU 496 -6.486 2.843 3.392 208 HG2 GLU 496 1HG GLU 496 -7.625 3.724 5.545 209 HG3 GLU 496 2HG GLU 496 -7.160 2.163 6.219 210 H ALA 497 H ALA 497 -8.376 4.225 2.079 211 HA ALA 497 HA ALA 497 -8.872 2.698 -0.377 212 HB1 ALA 497 1HB ALA 497 -9.012 5.664 0.148 213 HB2 ALA 497 2HB ALA 497 -9.342 4.891 -1.403 214 HB3 ALA 497 3HB ALA 497 -10.376 4.558 -0.014 215 H VAL 498 H VAL 498 -7.018 1.956 -1.216 216 HA VAL 498 HA VAL 498 -4.639 3.665 -1.186 217 HB VAL 498 HB VAL 498 -4.631 0.867 -2.245 218 HG11 VAL 498 1HG1 VAL 498 -2.635 2.325 -2.416 219 HG12 VAL 498 2HG1 VAL 498 -2.599 2.428 -0.654 220 HG13 VAL 498 3HG1 VAL 498 -2.356 0.874 -1.455 221 HG21 VAL 498 1HG2 VAL 498 -4.631 1.635 0.671 222 HG22 VAL 498 2HG2 VAL 498 -5.826 0.642 -0.164 223 HG23 VAL 498 3HG2 VAL 498 -4.179 0.047 0.050 224 H LYS 499 H LYS 499 -3.392 3.979 -3.105 225 HA LYS 499 HA LYS 499 -4.880 3.600 -5.615 226 HB2 LYS 499 1HB LYS 499 -4.713 6.021 -4.459 227 HB3 LYS 499 2HB LYS 499 -3.197 6.032 -5.353 228 HG2 LYS 499 1HG LYS 499 -4.584 6.956 -6.903 229 HG3 LYS 499 2HG LYS 499 -4.741 5.251 -7.334 230 HD2 LYS 499 1HD LYS 499 -6.942 6.098 -7.282 231 HD3 LYS 499 2HD LYS 499 -6.748 5.196 -5.778 232 HE2 LYS 499 1HE LYS 499 -7.737 7.132 -5.022 233 HE3 LYS 499 2HE LYS 499 -6.027 7.512 -4.817 234 HZ1 LYS 499 1HZ LYS 499 -6.055 8.994 -6.525 235 HZ2 LYS 499 2HZ LYS 499 -7.655 9.165 -6.005 236 HZ3 LYS 499 3HZ LYS 499 -7.302 8.212 -7.358 237 H VAL 500 H VAL 500 -3.652 1.968 -6.431 238 HA VAL 500 HA VAL 500 -0.837 1.806 -6.236 239 HB VAL 500 HB VAL 500 -2.690 0.491 -8.226 240 HG11 VAL 500 1HG1 VAL 500 -0.661 0.179 -9.235 241 HG12 VAL 500 2HG1 VAL 500 0.232 0.251 -7.714 242 HG13 VAL 500 3HG1 VAL 500 -0.675 -1.202 -8.140 243 HG21 VAL 500 1HG2 VAL 500 -2.702 -1.396 -6.768 244 HG22 VAL 500 2HG2 VAL 500 -1.489 -0.667 -5.717 245 HG23 VAL 500 3HG2 VAL 500 -3.110 0.021 -5.799 246 H LEU 501 H LEU 501 0.761 2.594 -7.480 247 HA LEU 501 HA LEU 501 0.027 3.960 -9.982 248 HB2 LEU 501 1HB LEU 501 1.266 5.042 -7.589 249 HB3 LEU 501 2HB LEU 501 2.253 5.304 -9.026 250 HG LEU 501 HG LEU 501 0.410 6.473 -10.101 251 HD11 LEU 501 1HD1 LEU 501 -1.460 7.055 -8.243 252 HD12 LEU 501 2HD1 LEU 501 -1.084 5.387 -7.813 253 HD13 LEU 501 3HD1 LEU 501 -1.624 5.775 -9.445 254 HD21 LEU 501 1HD2 LEU 501 1.564 7.329 -7.534 255 HD22 LEU 501 2HD2 LEU 501 0.147 8.235 -8.066 256 HD23 LEU 501 3HD2 LEU 501 1.569 8.127 -9.106 257 H SER 502 H SER 502 2.636 2.492 -8.085 258 HA SER 502 HA SER 502 3.895 1.671 -10.618 259 HB2 SER 502 1HB SER 502 5.082 3.022 -8.258 260 HB3 SER 502 2HB SER 502 6.035 1.728 -8.983 261 HG SER 502 HG SER 502 5.660 4.234 -9.859 262 H ILE 503 H ILE 503 5.318 -0.252 -10.376 263 HA ILE 503 HA ILE 503 4.378 -2.051 -8.242 264 HB ILE 503 HB ILE 503 4.844 -2.849 -11.118 265 HG12 ILE 503 1HG1 ILE 503 2.805 -1.494 -10.846 266 HG13 ILE 503 2HG1 ILE 503 2.421 -3.167 -11.239 267 HG21 ILE 503 1HG2 ILE 503 3.351 -4.755 -9.644 268 HG22 ILE 503 2HG2 ILE 503 4.947 -4.934 -10.370 269 HG23 ILE 503 3HG2 ILE 503 4.794 -4.356 -8.712 270 HD11 ILE 503 1HD1 ILE 503 0.984 -2.116 -9.486 271 HD12 ILE 503 2HD1 ILE 503 1.766 -3.622 -9.007 272 HD13 ILE 503 3HD1 ILE 503 2.403 -2.080 -8.439 273 H GLY 504 H GLY 504 5.915 -3.201 -7.216 274 HA2 GLY 504 1HA GLY 504 8.686 -2.707 -7.976 275 HA3 GLY 504 2HA GLY 504 8.129 -3.421 -6.469 276 H GLU 505 H GLU 505 8.827 -5.431 -6.252 277 HA GLU 505 HA GLU 505 9.616 -7.009 -8.514 278 HB2 GLU 505 1HB GLU 505 9.653 -7.357 -5.549 279 HB3 GLU 505 2HB GLU 505 9.809 -8.784 -6.564 280 HG2 GLU 505 1HG GLU 505 11.645 -7.319 -7.755 281 HG3 GLU 505 2HG GLU 505 11.674 -6.504 -6.192 282 H GLY 506 H GLY 506 6.768 -6.676 -6.589 283 HA2 GLY 506 1HA GLY 506 4.895 -7.755 -8.092 284 HA3 GLY 506 2HA GLY 506 5.676 -9.223 -7.525 285 H GLY 507 H GLY 507 6.287 -7.998 -4.896 286 HA2 GLY 507 1HA GLY 507 3.587 -8.301 -3.756 287 HA3 GLY 507 2HA GLY 507 5.085 -8.672 -2.917 288 H PHE 508 H PHE 508 5.852 -5.941 -4.421 289 HA PHE 508 HA PHE 508 4.695 -4.189 -2.360 290 HB2 PHE 508 1HB PHE 508 7.343 -4.995 -2.410 291 HB3 PHE 508 2HB PHE 508 7.386 -3.419 -3.194 292 HD1 PHE 508 1HD PHE 508 8.105 -1.809 -1.732 293 HD2 PHE 508 2HD PHE 508 5.440 -4.819 -0.333 294 HE1 PHE 508 1HE PHE 508 8.030 -0.714 0.470 295 HE2 PHE 508 2HE PHE 508 5.359 -3.728 1.871 296 HZ PHE 508 HZ PHE 508 6.654 -1.672 2.274 297 H TRP 509 H TRP 509 3.487 -2.722 -3.349 298 HA TRP 509 HA TRP 509 4.413 -1.652 -5.934 299 HB2 TRP 509 1HB TRP 509 1.560 -1.765 -4.939 300 HB3 TRP 509 2HB TRP 509 2.104 -1.273 -6.540 301 HD1 TRP 509 HD TRP 509 4.230 -3.905 -6.554 302 HE1 TRP 509 1HE TRP 509 3.203 -6.161 -7.248 303 HE3 TRP 509 3HE TRP 509 -0.703 -2.828 -5.761 304 HZ2 TRP 509 2HZ TRP 509 0.640 -7.328 -7.434 305 HZ3 TRP 509 3HZ TRP 509 -2.379 -4.568 -6.222 306 HH2 TRP 509 HH TRP 509 -1.720 -6.772 -7.042 307 H GLU 510 H GLU 510 4.215 0.574 -6.315 308 HA GLU 510 HA GLU 510 4.188 2.180 -3.871 309 HB2 GLU 510 1HB GLU 510 6.033 2.970 -4.891 310 HB3 GLU 510 2HB GLU 510 5.545 2.342 -6.459 311 HG2 GLU 510 1HG GLU 510 5.736 4.736 -6.559 312 HG3 GLU 510 2HG GLU 510 4.047 4.265 -6.746 313 H GLY 511 H GLY 511 2.598 3.561 -3.388 314 HA2 GLY 511 1HA GLY 511 0.954 4.767 -5.426 315 HA3 GLY 511 2HA GLY 511 0.109 3.558 -4.471 316 H THR 512 H THR 512 -1.284 5.334 -3.836 317 HA THR 512 HA THR 512 -0.138 6.820 -1.570 318 HB THR 512 HB THR 512 -2.129 7.959 -3.542 319 HG1 THR 512 1HG THR 512 0.664 8.246 -3.229 320 HG21 THR 512 1HG2 THR 512 -1.970 9.999 -2.308 321 HG22 THR 512 2HG2 THR 512 -0.688 9.348 -1.286 322 HG23 THR 512 3HG2 THR 512 -2.329 8.716 -1.155 323 H VAL 513 H VAL 513 -1.391 6.942 0.237 324 HA VAL 513 HA VAL 513 -4.185 6.137 0.133 325 HB VAL 513 HB VAL 513 -2.733 4.054 0.458 326 HG11 VAL 513 1HG1 VAL 513 -1.571 3.700 2.397 327 HG12 VAL 513 2HG1 VAL 513 -1.339 5.440 2.215 328 HG13 VAL 513 3HG1 VAL 513 -2.563 4.823 3.327 329 HG21 VAL 513 1HG2 VAL 513 -4.906 3.591 0.926 330 HG22 VAL 513 2HG2 VAL 513 -4.258 3.437 2.559 331 HG23 VAL 513 3HG2 VAL 513 -5.062 4.928 2.066 332 H LYS 514 H LYS 514 -5.393 7.151 1.633 333 HA LYS 514 HA LYS 514 -5.951 8.691 3.217 334 HB2 LYS 514 1HB LYS 514 -3.599 7.560 4.737 335 HB3 LYS 514 2HB LYS 514 -5.017 8.354 5.410 336 HG2 LYS 514 1HG LYS 514 -4.954 5.691 4.006 337 HG3 LYS 514 2HG LYS 514 -5.164 5.969 5.737 338 HD2 LYS 514 1HD LYS 514 -7.043 6.947 3.587 339 HD3 LYS 514 2HD LYS 514 -7.292 5.499 4.566 340 HE2 LYS 514 1HE LYS 514 -7.036 7.095 6.578 341 HE3 LYS 514 2HE LYS 514 -7.327 8.378 5.404 342 HZ1 LYS 514 1HZ LYS 514 -9.214 6.220 5.227 343 HZ2 LYS 514 2HZ LYS 514 -9.484 7.888 5.309 344 HZ3 LYS 514 3HZ LYS 514 -9.243 6.999 6.728 345 H GLY 515 H GLY 515 -3.918 9.422 1.176 346 HA2 GLY 515 1HA GLY 515 -3.091 11.597 0.770 347 HA3 GLY 515 2HA GLY 515 -3.006 11.863 2.505 348 H ARG 516 H ARG 516 -1.641 9.239 2.882 349 HA ARG 516 HA ARG 516 1.035 10.214 2.622 350 HB2 ARG 516 1HB ARG 516 -0.038 7.528 3.502 351 HB3 ARG 516 2HB ARG 516 1.656 7.994 3.584 352 HG2 ARG 516 1HG ARG 516 1.161 8.627 5.668 353 HG3 ARG 516 2HG ARG 516 0.466 10.055 4.898 354 HD2 ARG 516 1HD ARG 516 -1.722 8.958 4.846 355 HD3 ARG 516 2HD ARG 516 -1.024 7.535 5.620 356 HE ARG 516 HE ARG 516 -0.658 9.972 7.105 357 HH11 ARG 516 1HH1 ARG 516 -3.580 7.391 8.014 358 HH12 ARG 516 2HH1 ARG 516 -2.768 7.273 6.487 359 HH21 ARG 516 1HH2 ARG 516 -2.983 9.021 9.508 360 HH22 ARG 516 2HH2 ARG 516 -1.720 10.137 9.117 361 H THR 517 H THR 517 2.730 9.341 1.398 362 HA THR 517 HA THR 517 1.883 7.702 -0.903 363 HB THR 517 HB THR 517 3.936 9.923 -0.909 364 HG1 THR 517 1HG THR 517 2.299 10.762 -2.478 365 HG21 THR 517 1HG2 THR 517 3.221 7.801 -2.857 366 HG22 THR 517 2HG2 THR 517 4.772 8.583 -2.555 367 HG23 THR 517 3HG2 THR 517 3.533 9.415 -3.494 368 H GLY 518 H GLY 518 3.299 6.126 -1.644 369 HA2 GLY 518 1HA GLY 518 5.894 5.636 -1.257 370 HA3 GLY 518 2HA GLY 518 5.246 5.235 0.326 371 H TRP 519 H TRP 519 6.219 3.113 -0.280 372 HA TRP 519 HA TRP 519 4.600 1.570 -2.164 373 HB2 TRP 519 1HB TRP 519 7.109 0.769 -0.674 374 HB3 TRP 519 2HB TRP 519 6.315 -0.157 -1.944 375 HD1 TRP 519 HD TRP 519 8.063 3.282 -1.529 376 HE1 TRP 519 1HE TRP 519 9.223 3.851 -3.755 377 HE3 TRP 519 3HE TRP 519 6.507 -0.720 -4.304 378 HZ2 TRP 519 2HZ TRP 519 9.448 2.750 -6.344 379 HZ3 TRP 519 3HZ TRP 519 7.239 -0.888 -6.646 380 HH2 TRP 519 HH TRP 519 8.679 0.812 -7.644 381 H PHE 520 H PHE 520 3.699 -0.478 -1.560 382 HA PHE 520 HA PHE 520 3.460 -1.071 1.274 383 HB2 PHE 520 1HB PHE 520 0.940 -1.181 1.072 384 HB3 PHE 520 2HB PHE 520 1.627 0.439 1.075 385 HD1 PHE 520 1HD PHE 520 1.331 1.896 -0.752 386 HD2 PHE 520 2HD PHE 520 0.195 -2.193 -1.080 387 HE1 PHE 520 1HE PHE 520 0.175 2.391 -2.868 388 HE2 PHE 520 2HE PHE 520 -0.962 -1.705 -3.197 389 HZ PHE 520 HZ PHE 520 -0.973 0.589 -4.093 390 HA PRO 521 HA PRO 521 3.308 -5.232 -0.106 391 HB2 PRO 521 1HB PRO 521 1.738 -6.388 1.783 392 HB3 PRO 521 2HB PRO 521 3.393 -5.854 2.104 393 HG2 PRO 521 1HG PRO 521 0.807 -4.482 2.726 394 HG3 PRO 521 2HG PRO 521 2.255 -4.649 3.734 395 HD2 PRO 521 1HD PRO 521 1.690 -2.386 2.359 396 HD3 PRO 521 2HD PRO 521 3.354 -2.929 2.662 397 H ALA 522 H ALA 522 2.257 -5.705 -1.941 398 HA ALA 522 HA ALA 522 -0.355 -5.024 -2.603 399 HB1 ALA 522 1HB ALA 522 -0.150 -6.582 -4.447 400 HB2 ALA 522 2HB ALA 522 1.359 -5.692 -4.235 401 HB3 ALA 522 3HB ALA 522 1.229 -7.357 -3.668 402 H ASP 523 H ASP 523 0.845 -7.656 -0.704 403 HA ASP 523 HA ASP 523 -1.395 -9.382 -0.935 404 HB2 ASP 523 1HB ASP 523 0.776 -10.182 -0.133 405 HB3 ASP 523 2HB ASP 523 0.648 -9.143 1.284 406 H CYS 524 H CYS 524 -1.080 -6.372 0.481 407 HA CYS 524 HA CYS 524 -3.314 -6.893 2.329 408 HB2 CYS 524 1HB CYS 524 -1.301 -4.639 2.453 409 HB3 CYS 524 2HB CYS 524 -2.573 -4.966 3.624 410 HG CYS 524 HG CYS 524 -1.458 -7.418 4.443 411 H VAL 525 H VAL 525 -2.966 -5.983 -0.658 412 HA VAL 525 HA VAL 525 -5.059 -3.928 -0.488 413 HB VAL 525 HB VAL 525 -4.092 -2.572 -2.164 414 HG11 VAL 525 1HG1 VAL 525 -2.409 -1.645 -0.965 415 HG12 VAL 525 2HG1 VAL 525 -2.957 -2.803 0.250 416 HG13 VAL 525 3HG1 VAL 525 -1.561 -3.177 -0.761 417 HG21 VAL 525 1HG2 VAL 525 -1.632 -3.541 -2.881 418 HG22 VAL 525 2HG2 VAL 525 -2.612 -5.006 -2.814 419 HG23 VAL 525 3HG2 VAL 525 -3.101 -3.666 -3.849 420 H GLU 526 H GLU 526 -6.501 -3.857 -2.264 421 HA GLU 526 HA GLU 526 -6.266 -5.897 -4.320 422 HB2 GLU 526 1HB GLU 526 -8.178 -6.029 -2.061 423 HB3 GLU 526 2HB GLU 526 -8.834 -6.376 -3.654 424 HG2 GLU 526 1HG GLU 526 -6.782 -7.966 -3.848 425 HG3 GLU 526 2HG GLU 526 -6.779 -7.861 -2.088 426 H GLU 527 H GLU 527 -7.257 -5.339 -6.197 427 HA GLU 527 HA GLU 527 -7.885 -2.715 -6.753 428 HB2 GLU 527 1HB GLU 527 -8.996 -5.138 -8.181 429 HB3 GLU 527 2HB GLU 527 -8.860 -3.512 -8.838 430 HG2 GLU 527 1HG GLU 527 -6.648 -3.707 -9.246 431 HG3 GLU 527 2HG GLU 527 -6.368 -4.742 -7.847 432 H VAL 528 H VAL 528 -9.926 -1.713 -7.347 433 HA VAL 528 HA VAL 528 -11.800 -1.619 -5.369 434 HB VAL 528 HB VAL 528 -13.409 -0.756 -7.138 435 HG11 VAL 528 1HG1 VAL 528 -11.201 0.393 -5.935 436 HG12 VAL 528 2HG1 VAL 528 -11.036 0.838 -7.634 437 HG13 VAL 528 3HG1 VAL 528 -12.509 1.247 -6.754 438 HG21 VAL 528 1HG2 VAL 528 -11.296 -0.454 -9.109 439 HG22 VAL 528 2HG2 VAL 528 -11.748 -2.140 -8.857 440 HG23 VAL 528 3HG2 VAL 528 -12.972 -0.957 -9.319 441 H GLN 529 H GLN 529 -12.786 -3.357 -4.527 442 HA GLN 529 HA GLN 529 -13.839 -5.436 -6.272 443 HB2 GLN 529 1HB GLN 529 -13.588 -5.198 -3.276 444 HB3 GLN 529 2HB GLN 529 -14.431 -6.529 -4.056 445 HG2 GLN 529 1HG GLN 529 -11.521 -5.816 -4.322 446 HG3 GLN 529 2HG GLN 529 -12.209 -7.223 -3.512 447 HE21 GLN 529 1HE2 GLN 529 -11.699 -7.154 -7.536 448 HE22 GLN 529 2HE2 GLN 529 -11.471 -5.744 -6.565 449 H MET 530 H MET 530 -14.908 -2.586 -4.828 450 HA MET 530 HA MET 530 -17.705 -3.479 -4.805 451 HB2 MET 530 1HB MET 530 -16.908 -2.406 -2.746 452 HB3 MET 530 2HB MET 530 -16.464 -0.971 -3.660 453 HG2 MET 530 1HG MET 530 -18.512 -0.478 -2.623 454 HG3 MET 530 2HG MET 530 -18.885 -0.782 -4.318 455 HE1 MET 530 1HE MET 530 -19.630 -1.208 -0.905 456 HE2 MET 530 2HE MET 530 -20.742 -2.567 -0.745 457 HE3 MET 530 3HE MET 530 -19.001 -2.839 -0.672 Start of MODEL 3 1 H1 MET 470 H MET 470 -15.250 0.641 -20.531 2 HA MET 470 HA MET 470 -12.554 1.435 -20.069 3 HB2 MET 470 1HB MET 470 -12.996 3.900 -20.124 4 HB3 MET 470 2HB MET 470 -12.979 3.131 -21.705 5 HG2 MET 470 1HG MET 470 -15.453 3.065 -21.646 6 HG3 MET 470 2HG MET 470 -15.403 3.960 -20.129 7 HE1 MET 470 1HE MET 470 -13.401 6.376 -20.384 8 HE2 MET 470 2HE MET 470 -14.606 7.497 -21.017 9 HE3 MET 470 3HE MET 470 -15.070 6.288 -19.818 10 H VAL 471 H VAL 471 -12.220 2.022 -17.959 11 HA VAL 471 HA VAL 471 -14.600 2.402 -16.270 12 HB VAL 471 HB VAL 471 -14.004 0.120 -15.911 13 HG11 VAL 471 1HG1 VAL 471 -11.341 1.076 -16.372 14 HG12 VAL 471 2HG1 VAL 471 -11.399 0.167 -14.861 15 HG13 VAL 471 3HG1 VAL 471 -11.945 -0.580 -16.362 16 HG21 VAL 471 1HG2 VAL 471 -14.329 1.788 -13.919 17 HG22 VAL 471 2HG2 VAL 471 -13.842 0.120 -13.615 18 HG23 VAL 471 3HG2 VAL 471 -12.637 1.408 -13.591 19 HA PRO 472 HA PRO 472 -11.592 5.788 -15.467 20 HB2 PRO 472 1HB PRO 472 -13.504 7.675 -15.075 21 HB3 PRO 472 2HB PRO 472 -12.898 7.240 -16.677 22 HG2 PRO 472 1HG PRO 472 -15.399 6.352 -15.292 23 HG3 PRO 472 2HG PRO 472 -15.169 6.841 -16.980 24 HD2 PRO 472 1HD PRO 472 -15.313 4.246 -16.224 25 HD3 PRO 472 2HD PRO 472 -14.321 4.788 -17.593 26 H GLY 473 H GLY 473 -11.213 4.465 -13.495 27 HA2 GLY 473 1HA GLY 473 -11.557 5.878 -11.159 28 HA3 GLY 473 2HA GLY 473 -12.920 4.771 -11.223 29 H ARG 474 H ARG 474 -9.674 4.123 -12.433 30 HA ARG 474 HA ARG 474 -9.522 1.619 -11.145 31 HB2 ARG 474 1HB ARG 474 -8.241 2.538 -13.222 32 HB3 ARG 474 2HB ARG 474 -7.084 3.123 -12.033 33 HG2 ARG 474 1HG ARG 474 -7.905 0.284 -11.843 34 HG3 ARG 474 2HG ARG 474 -6.866 0.748 -13.193 35 HD2 ARG 474 1HD ARG 474 -5.542 1.981 -11.253 36 HD3 ARG 474 2HD ARG 474 -6.307 0.728 -10.276 37 HE ARG 474 HE ARG 474 -4.939 -0.833 -11.255 38 HH11 ARG 474 1HH1 ARG 474 -3.446 1.629 -14.036 39 HH12 ARG 474 2HH1 ARG 474 -4.776 2.143 -13.051 40 HH21 ARG 474 1HH2 ARG 474 -2.545 -0.457 -13.747 41 HH22 ARG 474 2HH2 ARG 474 -3.188 -1.523 -12.545 42 H LYS 475 H LYS 475 -9.779 1.743 -8.949 43 HA LYS 475 HA LYS 475 -7.626 3.115 -7.479 44 HB2 LYS 475 1HB LYS 475 -9.125 3.747 -5.757 45 HB3 LYS 475 2HB LYS 475 -9.916 4.182 -7.266 46 HG2 LYS 475 1HG LYS 475 -11.274 2.150 -7.135 47 HG3 LYS 475 2HG LYS 475 -10.489 1.731 -5.611 48 HD2 LYS 475 1HD LYS 475 -12.264 2.800 -4.714 49 HD3 LYS 475 2HD LYS 475 -11.304 4.242 -5.055 50 HE2 LYS 475 1HE LYS 475 -13.461 4.682 -5.907 51 HE3 LYS 475 2HE LYS 475 -12.456 4.311 -7.307 52 HZ1 LYS 475 1HZ LYS 475 -14.756 3.230 -7.129 53 HZ2 LYS 475 2HZ LYS 475 -14.041 2.199 -5.995 54 HZ3 LYS 475 3HZ LYS 475 -13.450 2.254 -7.578 55 H PHE 476 H PHE 476 -7.487 2.199 -5.156 56 HA PHE 476 HA PHE 476 -7.884 -0.715 -5.199 57 HB2 PHE 476 1HB PHE 476 -5.367 0.824 -4.771 58 HB3 PHE 476 2HB PHE 476 -5.614 -0.632 -3.814 59 HD1 PHE 476 1HD PHE 476 -5.591 0.611 -7.312 60 HD2 PHE 476 2HD PHE 476 -5.116 -2.718 -4.703 61 HE1 PHE 476 1HE PHE 476 -4.812 -0.756 -9.204 62 HE2 PHE 476 2HE PHE 476 -4.336 -4.090 -6.590 63 HZ PHE 476 HZ PHE 476 -4.182 -3.109 -8.844 64 H ILE 477 H ILE 477 -7.857 -1.715 -3.061 65 HA ILE 477 HA ILE 477 -8.462 0.143 -0.867 66 HB ILE 477 HB ILE 477 -10.585 -0.697 -1.885 67 HG12 ILE 477 1HG1 ILE 477 -11.214 -1.856 0.517 68 HG13 ILE 477 2HG1 ILE 477 -9.756 -0.956 0.925 69 HG21 ILE 477 1HG2 ILE 477 -10.177 -3.356 -0.653 70 HG22 ILE 477 2HG2 ILE 477 -11.112 -2.894 -2.074 71 HG23 ILE 477 3HG2 ILE 477 -9.358 -3.048 -2.185 72 HD11 ILE 477 1HD1 ILE 477 -11.061 0.812 1.188 73 HD12 ILE 477 2HD1 ILE 477 -11.272 0.823 -0.563 74 HD13 ILE 477 3HD1 ILE 477 -12.439 -0.012 0.462 75 H ALA 478 H ALA 478 -7.620 -0.413 1.062 76 HA ALA 478 HA ALA 478 -5.846 -2.690 1.163 77 HB1 ALA 478 1HB ALA 478 -5.958 -1.507 3.699 78 HB2 ALA 478 2HB ALA 478 -4.724 -1.280 2.458 79 HB3 ALA 478 3HB ALA 478 -6.104 -0.185 2.541 80 H VAL 479 H VAL 479 -6.181 -4.582 2.172 81 HA VAL 479 HA VAL 479 -8.763 -4.956 3.524 82 HB VAL 479 HB VAL 479 -8.233 -7.426 3.197 83 HG11 VAL 479 1HG1 VAL 479 -9.567 -5.652 1.647 84 HG12 VAL 479 2HG1 VAL 479 -8.408 -6.303 0.486 85 HG13 VAL 479 3HG1 VAL 479 -9.505 -7.387 1.342 86 HG21 VAL 479 1HG2 VAL 479 -6.528 -6.879 0.905 87 HG22 VAL 479 2HG2 VAL 479 -5.763 -6.462 2.438 88 HG23 VAL 479 3HG2 VAL 479 -6.366 -8.098 2.170 89 H LYS 480 H LYS 480 -5.303 -5.306 3.912 90 HA LYS 480 HA LYS 480 -5.734 -6.174 6.695 91 HB2 LYS 480 1HB LYS 480 -3.089 -6.458 5.327 92 HB3 LYS 480 2HB LYS 480 -3.777 -7.414 6.634 93 HG2 LYS 480 1HG LYS 480 -4.634 -7.493 3.748 94 HG3 LYS 480 2HG LYS 480 -3.647 -8.699 4.576 95 HD2 LYS 480 1HD LYS 480 -6.493 -7.959 5.259 96 HD3 LYS 480 2HD LYS 480 -5.974 -9.422 4.418 97 HE2 LYS 480 1HE LYS 480 -5.387 -8.623 7.262 98 HE3 LYS 480 2HE LYS 480 -6.354 -9.989 6.706 99 HZ1 LYS 480 1HZ LYS 480 -3.443 -9.678 6.781 100 HZ2 LYS 480 2HZ LYS 480 -4.107 -10.614 5.539 101 HZ3 LYS 480 3HZ LYS 480 -4.394 -11.027 7.154 102 H ALA 481 H ALA 481 -3.450 -5.597 7.907 103 HA ALA 481 HA ALA 481 -3.236 -2.673 7.645 104 HB1 ALA 481 1HB ALA 481 -4.119 -3.785 9.797 105 HB2 ALA 481 2HB ALA 481 -2.428 -4.193 10.096 106 HB3 ALA 481 3HB ALA 481 -2.914 -2.505 9.940 107 H HIS 482 H HIS 482 -1.120 -1.731 8.250 108 HA HIS 482 HA HIS 482 1.240 -3.294 8.281 109 HB2 HIS 482 1HB HIS 482 0.578 -3.594 5.893 110 HB3 HIS 482 2HB HIS 482 0.699 -1.850 5.679 111 HD1 HIS 482 1HD HIS 482 2.859 -4.855 6.443 112 HD2 HIS 482 2HD HIS 482 3.229 -0.911 5.190 113 HE1 HIS 482 1HE HIS 482 5.270 -4.582 5.784 114 H SER 483 H SER 483 3.148 -2.022 8.490 115 HA SER 483 HA SER 483 2.633 0.846 8.927 116 HB2 SER 483 1HB SER 483 4.805 -0.143 10.557 117 HB3 SER 483 2HB SER 483 3.332 0.691 11.052 118 HG SER 483 HG SER 483 3.935 -1.822 11.461 119 HA PRO 484 HA PRO 484 6.046 1.720 6.310 120 HB2 PRO 484 1HB PRO 484 6.990 4.006 7.431 121 HB3 PRO 484 2HB PRO 484 5.479 3.938 6.516 122 HG2 PRO 484 1HG PRO 484 5.902 3.905 9.480 123 HG3 PRO 484 2HG PRO 484 4.695 4.792 8.532 124 HD2 PRO 484 1HD PRO 484 4.116 2.495 9.842 125 HD3 PRO 484 2HD PRO 484 3.323 2.951 8.321 126 H GLN 485 H GLN 485 7.706 0.311 6.435 127 HA GLN 485 HA GLN 485 9.165 -0.404 8.676 128 HB2 GLN 485 1HB GLN 485 9.962 -0.384 5.766 129 HB3 GLN 485 2HB GLN 485 10.942 -1.114 7.031 130 HG2 GLN 485 1HG GLN 485 8.232 -1.947 6.057 131 HG3 GLN 485 2HG GLN 485 9.732 -2.872 6.065 132 HE21 GLN 485 1HE2 GLN 485 7.370 -2.671 9.366 133 HE22 GLN 485 2HE2 GLN 485 7.112 -1.638 8.005 134 H GLY 486 H GLY 486 9.450 2.404 6.652 135 HA2 GLY 486 1HA GLY 486 10.819 3.995 8.394 136 HA3 GLY 486 2HA GLY 486 12.088 3.124 7.547 137 H GLU 487 H GLU 487 12.150 3.311 5.192 138 HA GLU 487 HA GLU 487 10.989 5.852 4.257 139 HB2 GLU 487 1HB GLU 487 13.625 4.781 3.280 140 HB3 GLU 487 2HB GLU 487 12.980 6.409 3.124 141 HG2 GLU 487 1HG GLU 487 13.123 6.511 5.675 142 HG3 GLU 487 2HG GLU 487 14.145 5.081 5.542 143 H GLY 488 H GLY 488 9.905 5.802 2.377 144 HA2 GLY 488 1HA GLY 488 9.235 5.068 0.278 145 HA3 GLY 488 2HA GLY 488 10.421 3.776 0.385 146 H GLU 489 H GLU 489 8.044 4.343 2.883 147 HA GLU 489 HA GLU 489 6.321 2.221 1.885 148 HB2 GLU 489 1HB GLU 489 7.704 2.033 4.567 149 HB3 GLU 489 2HB GLU 489 6.455 0.942 3.984 150 HG2 GLU 489 1HG GLU 489 8.116 0.606 1.986 151 HG3 GLU 489 2HG GLU 489 9.301 1.181 3.158 152 H ILE 490 H ILE 490 4.240 2.323 2.656 153 HA ILE 490 HA ILE 490 3.657 4.522 4.532 154 HB ILE 490 HB ILE 490 1.398 4.595 3.280 155 HG12 ILE 490 1HG1 ILE 490 3.149 3.322 1.165 156 HG13 ILE 490 2HG1 ILE 490 1.772 2.556 1.949 157 HG21 ILE 490 1HG2 ILE 490 2.179 6.336 1.900 158 HG22 ILE 490 2HG2 ILE 490 3.283 6.295 3.274 159 HG23 ILE 490 3HG2 ILE 490 3.770 5.595 1.731 160 HD11 ILE 490 1HD1 ILE 490 1.822 4.204 -0.359 161 HD12 ILE 490 2HD1 ILE 490 0.452 3.380 0.385 162 HD13 ILE 490 3HD1 ILE 490 0.879 5.014 0.890 163 HA PRO 491 HA PRO 491 1.395 1.709 7.030 164 HB2 PRO 491 1HB PRO 491 -0.626 3.280 7.932 165 HB3 PRO 491 2HB PRO 491 1.044 3.454 8.483 166 HG2 PRO 491 1HG PRO 491 -0.446 5.038 6.425 167 HG3 PRO 491 2HG PRO 491 0.651 5.607 7.697 168 HD2 PRO 491 1HD PRO 491 1.428 5.333 5.118 169 HD3 PRO 491 2HD PRO 491 2.536 5.081 6.482 170 H LEU 492 H LEU 492 -0.784 0.748 7.387 171 HA LEU 492 HA LEU 492 -2.672 1.072 5.194 172 HB2 LEU 492 1HB LEU 492 -1.243 -1.501 5.820 173 HB3 LEU 492 2HB LEU 492 -2.739 -1.430 4.891 174 HG LEU 492 HG LEU 492 -0.108 -0.178 4.103 175 HD11 LEU 492 1HD1 LEU 492 0.257 -2.397 3.687 176 HD12 LEU 492 2HD1 LEU 492 -0.531 -1.920 2.184 177 HD13 LEU 492 3HD1 LEU 492 -1.453 -2.748 3.437 178 HD21 LEU 492 1HD2 LEU 492 -1.215 0.298 1.981 179 HD22 LEU 492 2HD2 LEU 492 -2.025 1.115 3.318 180 HD23 LEU 492 3HD2 LEU 492 -2.729 -0.344 2.617 181 H HIS 493 H HIS 493 -4.761 0.458 5.695 182 HA HIS 493 HA HIS 493 -5.283 -0.861 8.236 183 HB2 HIS 493 1HB HIS 493 -5.681 2.008 7.754 184 HB3 HIS 493 2HB HIS 493 -7.105 1.184 8.381 185 HD1 HIS 493 1HD HIS 493 -7.161 0.766 10.839 186 HD2 HIS 493 2HD HIS 493 -3.346 1.699 9.485 187 HE1 HIS 493 1HE HIS 493 -5.750 0.992 12.908 188 H ARG 494 H ARG 494 -6.986 -2.187 8.103 189 HA ARG 494 HA ARG 494 -8.227 -2.840 5.739 190 HB2 ARG 494 1HB ARG 494 -10.037 -3.853 7.228 191 HB3 ARG 494 2HB ARG 494 -8.387 -4.396 7.500 192 HG2 ARG 494 1HG ARG 494 -8.205 -3.268 9.509 193 HG3 ARG 494 2HG ARG 494 -9.506 -2.144 9.110 194 HD2 ARG 494 1HD ARG 494 -11.156 -3.649 9.654 195 HD3 ARG 494 2HD ARG 494 -10.129 -5.049 9.344 196 HE ARG 494 HE ARG 494 -9.103 -3.640 11.541 197 HH11 ARG 494 1HH1 ARG 494 -12.127 -6.160 12.267 198 HH12 ARG 494 2HH1 ARG 494 -11.856 -5.578 10.658 199 HH21 ARG 494 1HH2 ARG 494 -10.758 -5.487 13.976 200 HH22 ARG 494 2HH2 ARG 494 -9.449 -4.398 13.663 201 H GLY 495 H GLY 495 -9.569 -1.755 4.465 202 HA2 GLY 495 1HA GLY 495 -11.706 -0.747 4.081 203 HA3 GLY 495 2HA GLY 495 -11.638 -0.071 5.702 204 H GLU 496 H GLU 496 -8.636 0.317 4.418 205 HA GLU 496 HA GLU 496 -9.088 3.133 3.966 206 HB2 GLU 496 1HB GLU 496 -6.676 1.374 4.174 207 HB3 GLU 496 2HB GLU 496 -6.518 2.967 3.449 208 HG2 GLU 496 1HG GLU 496 -7.714 3.780 5.603 209 HG3 GLU 496 2HG GLU 496 -7.197 2.227 6.257 210 H ALA 497 H ALA 497 -8.484 4.270 2.060 211 HA ALA 497 HA ALA 497 -8.899 2.684 -0.368 212 HB1 ALA 497 1HB ALA 497 -10.444 4.420 -0.323 213 HB2 ALA 497 2HB ALA 497 -9.269 5.582 0.292 214 HB3 ALA 497 3HB ALA 497 -9.175 5.036 -1.382 215 H VAL 498 H VAL 498 -7.045 1.959 -1.210 216 HA VAL 498 HA VAL 498 -4.676 3.685 -1.173 217 HB VAL 498 HB VAL 498 -4.656 0.865 -2.184 218 HG11 VAL 498 1HG1 VAL 498 -2.658 2.252 -2.452 219 HG12 VAL 498 2HG1 VAL 498 -2.624 2.538 -0.710 220 HG13 VAL 498 3HG1 VAL 498 -2.368 0.911 -1.344 221 HG21 VAL 498 1HG2 VAL 498 -4.612 1.704 0.713 222 HG22 VAL 498 2HG2 VAL 498 -5.824 0.694 -0.078 223 HG23 VAL 498 3HG2 VAL 498 -4.175 0.100 0.121 224 H LYS 499 H LYS 499 -3.412 3.979 -3.088 225 HA LYS 499 HA LYS 499 -4.877 3.556 -5.604 226 HB2 LYS 499 1HB LYS 499 -4.677 6.006 -4.442 227 HB3 LYS 499 2HB LYS 499 -3.227 6.000 -5.439 228 HG2 LYS 499 1HG LYS 499 -4.951 6.994 -6.718 229 HG3 LYS 499 2HG LYS 499 -4.680 5.382 -7.385 230 HD2 LYS 499 1HD LYS 499 -6.999 5.531 -7.281 231 HD3 LYS 499 2HD LYS 499 -6.588 4.655 -5.806 232 HE2 LYS 499 1HE LYS 499 -8.109 6.246 -5.066 233 HE3 LYS 499 2HE LYS 499 -6.550 6.985 -4.702 234 HZ1 LYS 499 1HZ LYS 499 -6.738 8.245 -6.781 235 HZ2 LYS 499 2HZ LYS 499 -8.006 8.590 -5.715 236 HZ3 LYS 499 3HZ LYS 499 -8.271 7.581 -7.048 237 H VAL 500 H VAL 500 -3.623 1.928 -6.388 238 HA VAL 500 HA VAL 500 -0.800 1.824 -6.173 239 HB VAL 500 HB VAL 500 -2.634 0.406 -8.110 240 HG11 VAL 500 1HG1 VAL 500 0.296 0.303 -7.668 241 HG12 VAL 500 2HG1 VAL 500 -0.541 -1.227 -7.943 242 HG13 VAL 500 3HG1 VAL 500 -0.638 0.060 -9.144 243 HG21 VAL 500 1HG2 VAL 500 -1.372 -0.656 -5.590 244 HG22 VAL 500 2HG2 VAL 500 -3.006 0.004 -5.657 245 HG23 VAL 500 3HG2 VAL 500 -2.596 -1.432 -6.595 246 H LEU 501 H LEU 501 0.785 2.575 -7.463 247 HA LEU 501 HA LEU 501 0.017 3.866 -9.992 248 HB2 LEU 501 1HB LEU 501 1.398 4.986 -7.656 249 HB3 LEU 501 2HB LEU 501 2.174 5.321 -9.203 250 HG LEU 501 HG LEU 501 -0.061 6.228 -9.977 251 HD11 LEU 501 1HD1 LEU 501 -1.495 7.042 -8.057 252 HD12 LEU 501 2HD1 LEU 501 -0.630 5.885 -7.046 253 HD13 LEU 501 3HD1 LEU 501 -1.578 5.318 -8.420 254 HD21 LEU 501 1HD2 LEU 501 0.580 8.318 -9.378 255 HD22 LEU 501 2HD2 LEU 501 2.038 7.456 -8.884 256 HD23 LEU 501 3HD2 LEU 501 0.816 7.884 -7.684 257 H SER 502 H SER 502 2.742 2.615 -8.080 258 HA SER 502 HA SER 502 3.969 1.710 -10.603 259 HB2 SER 502 1HB SER 502 5.136 3.095 -8.252 260 HB3 SER 502 2HB SER 502 6.105 1.805 -8.965 261 HG SER 502 HG SER 502 6.658 3.572 -10.104 262 H ILE 503 H ILE 503 5.432 -0.188 -10.322 263 HA ILE 503 HA ILE 503 4.438 -1.997 -8.219 264 HB ILE 503 HB ILE 503 5.133 -2.784 -11.051 265 HG12 ILE 503 1HG1 ILE 503 3.037 -1.518 -10.960 266 HG13 ILE 503 2HG1 ILE 503 2.724 -3.215 -11.311 267 HG21 ILE 503 1HG2 ILE 503 5.387 -4.815 -10.178 268 HG22 ILE 503 2HG2 ILE 503 4.806 -4.281 -8.601 269 HG23 ILE 503 3HG2 ILE 503 3.657 -4.798 -9.835 270 HD11 ILE 503 1HD1 ILE 503 1.144 -2.182 -9.699 271 HD12 ILE 503 2HD1 ILE 503 1.981 -3.605 -9.079 272 HD13 ILE 503 3HD1 ILE 503 2.488 -1.994 -8.575 273 H GLY 504 H GLY 504 5.915 -3.287 -7.201 274 HA2 GLY 504 1HA GLY 504 8.730 -2.667 -7.762 275 HA3 GLY 504 2HA GLY 504 8.101 -3.320 -6.256 276 H GLU 505 H GLU 505 8.322 -5.435 -5.905 277 HA GLU 505 HA GLU 505 9.282 -7.089 -8.127 278 HB2 GLU 505 1HB GLU 505 9.503 -7.330 -5.136 279 HB3 GLU 505 2HB GLU 505 9.841 -8.694 -6.192 280 HG2 GLU 505 1HG GLU 505 11.464 -7.111 -7.388 281 HG3 GLU 505 2HG GLU 505 11.308 -6.096 -5.954 282 H GLY 506 H GLY 506 6.424 -6.355 -7.535 283 HA2 GLY 506 1HA GLY 506 4.512 -7.584 -8.140 284 HA3 GLY 506 2HA GLY 506 5.379 -9.070 -7.776 285 H GLY 507 H GLY 507 6.218 -7.694 -5.156 286 HA2 GLY 507 1HA GLY 507 3.736 -8.392 -3.723 287 HA3 GLY 507 2HA GLY 507 5.357 -8.543 -3.061 288 H PHE 508 H PHE 508 5.942 -5.826 -4.344 289 HA PHE 508 HA PHE 508 4.514 -4.164 -2.378 290 HB2 PHE 508 1HB PHE 508 7.276 -4.785 -2.390 291 HB3 PHE 508 2HB PHE 508 7.130 -3.103 -2.889 292 HD1 PHE 508 1HD PHE 508 7.628 -1.730 -1.122 293 HD2 PHE 508 2HD PHE 508 5.248 -5.191 -0.437 294 HE1 PHE 508 1HE PHE 508 7.333 -1.058 1.227 295 HE2 PHE 508 2HE PHE 508 4.948 -4.525 1.912 296 HZ PHE 508 HZ PHE 508 5.990 -2.456 2.746 297 H TRP 509 H TRP 509 3.340 -2.702 -3.409 298 HA TRP 509 HA TRP 509 4.361 -1.610 -5.948 299 HB2 TRP 509 1HB TRP 509 1.479 -1.755 -5.038 300 HB3 TRP 509 2HB TRP 509 2.060 -1.225 -6.615 301 HD1 TRP 509 HD TRP 509 4.225 -3.886 -6.466 302 HE1 TRP 509 1HE TRP 509 3.244 -6.118 -7.291 303 HE3 TRP 509 3HE TRP 509 -0.751 -2.751 -6.157 304 HZ2 TRP 509 2HZ TRP 509 0.698 -7.249 -7.751 305 HZ3 TRP 509 3HZ TRP 509 -2.394 -4.464 -6.808 306 HH2 TRP 509 HH TRP 509 -1.682 -6.665 -7.590 307 H GLU 510 H GLU 510 4.330 0.595 -6.287 308 HA GLU 510 HA GLU 510 4.195 2.209 -3.870 309 HB2 GLU 510 1HB GLU 510 6.042 3.001 -4.888 310 HB3 GLU 510 2HB GLU 510 5.551 2.385 -6.460 311 HG2 GLU 510 1HG GLU 510 5.739 4.781 -6.539 312 HG3 GLU 510 2HG GLU 510 4.053 4.307 -6.733 313 H GLY 511 H GLY 511 2.596 3.576 -3.386 314 HA2 GLY 511 1HA GLY 511 0.944 4.765 -5.434 315 HA3 GLY 511 2HA GLY 511 0.108 3.564 -4.461 316 H THR 512 H THR 512 -1.296 5.305 -3.802 317 HA THR 512 HA THR 512 -0.143 6.826 -1.566 318 HB THR 512 HB THR 512 -2.119 7.955 -3.559 319 HG1 THR 512 1HG THR 512 -0.160 8.079 -4.531 320 HG21 THR 512 1HG2 THR 512 -0.717 9.338 -1.273 321 HG22 THR 512 2HG2 THR 512 -2.371 8.730 -1.193 322 HG23 THR 512 3HG2 THR 512 -1.955 10.010 -2.333 323 H VAL 513 H VAL 513 -1.408 6.981 0.235 324 HA VAL 513 HA VAL 513 -4.200 6.174 0.130 325 HB VAL 513 HB VAL 513 -2.736 4.098 0.490 326 HG11 VAL 513 1HG1 VAL 513 -1.369 5.499 2.246 327 HG12 VAL 513 2HG1 VAL 513 -2.614 4.915 3.352 328 HG13 VAL 513 3HG1 VAL 513 -1.615 3.766 2.461 329 HG21 VAL 513 1HG2 VAL 513 -4.930 3.657 0.919 330 HG22 VAL 513 2HG2 VAL 513 -4.290 3.471 2.551 331 HG23 VAL 513 3HG2 VAL 513 -5.084 4.975 2.082 332 H LYS 514 H LYS 514 -5.415 7.206 1.613 333 HA LYS 514 HA LYS 514 -5.979 8.765 3.174 334 HB2 LYS 514 1HB LYS 514 -3.634 7.650 4.716 335 HB3 LYS 514 2HB LYS 514 -5.051 8.457 5.375 336 HG2 LYS 514 1HG LYS 514 -4.977 5.769 4.020 337 HG3 LYS 514 2HG LYS 514 -5.222 6.086 5.740 338 HD2 LYS 514 1HD LYS 514 -7.055 6.986 3.517 339 HD3 LYS 514 2HD LYS 514 -7.331 5.595 4.568 340 HE2 LYS 514 1HE LYS 514 -7.175 7.230 6.510 341 HE3 LYS 514 2HE LYS 514 -7.281 8.512 5.304 342 HZ1 LYS 514 1HZ LYS 514 -9.328 6.659 6.229 343 HZ2 LYS 514 2HZ LYS 514 -9.351 7.043 4.582 344 HZ3 LYS 514 3HZ LYS 514 -9.470 8.272 5.738 345 H GLY 515 H GLY 515 -3.924 9.462 1.135 346 HA2 GLY 515 1HA GLY 515 -3.104 11.637 0.706 347 HA3 GLY 515 2HA GLY 515 -3.019 11.921 2.439 348 H ARG 516 H ARG 516 -1.656 9.306 2.852 349 HA ARG 516 HA ARG 516 1.022 10.275 2.565 350 HB2 ARG 516 1HB ARG 516 0.040 7.555 3.453 351 HB3 ARG 516 2HB ARG 516 1.672 8.178 3.655 352 HG2 ARG 516 1HG ARG 516 0.901 8.680 5.710 353 HG3 ARG 516 2HG ARG 516 0.317 10.126 4.885 354 HD2 ARG 516 1HD ARG 516 -1.853 9.476 4.994 355 HD3 ARG 516 2HD ARG 516 -1.460 7.767 4.823 356 HE ARG 516 HE ARG 516 -1.499 7.596 7.094 357 HH11 ARG 516 1HH1 ARG 516 -1.076 11.498 7.882 358 HH12 ARG 516 2HH1 ARG 516 -0.995 10.934 6.245 359 HH21 ARG 516 1HH2 ARG 516 -1.424 10.013 9.591 360 HH22 ARG 516 2HH2 ARG 516 -1.608 8.325 9.252 361 H THR 517 H THR 517 2.704 9.395 1.339 362 HA THR 517 HA THR 517 1.847 7.692 -0.911 363 HB THR 517 HB THR 517 3.970 9.842 -1.010 364 HG1 THR 517 1HG THR 517 1.273 9.811 -1.930 365 HG21 THR 517 1HG2 THR 517 4.624 8.561 -2.756 366 HG22 THR 517 2HG2 THR 517 3.267 9.335 -3.574 367 HG23 THR 517 3HG2 THR 517 3.071 7.734 -2.863 368 H GLY 518 H GLY 518 3.283 6.119 -1.650 369 HA2 GLY 518 1HA GLY 518 5.873 5.634 -1.227 370 HA3 GLY 518 2HA GLY 518 5.204 5.236 0.348 371 H TRP 519 H TRP 519 6.225 3.124 -0.294 372 HA TRP 519 HA TRP 519 4.609 1.572 -2.171 373 HB2 TRP 519 1HB TRP 519 7.122 0.786 -0.680 374 HB3 TRP 519 2HB TRP 519 6.335 -0.146 -1.951 375 HD1 TRP 519 HD TRP 519 8.065 3.303 -1.532 376 HE1 TRP 519 1HE TRP 519 9.219 3.883 -3.757 377 HE3 TRP 519 3HE TRP 519 6.525 -0.701 -4.314 378 HZ2 TRP 519 2HZ TRP 519 9.447 2.789 -6.349 379 HZ3 TRP 519 3HZ TRP 519 7.255 -0.859 -6.658 380 HH2 TRP 519 HH TRP 519 8.685 0.851 -7.653 381 H PHE 520 H PHE 520 3.686 -0.455 -1.580 382 HA PHE 520 HA PHE 520 3.474 -1.094 1.246 383 HB2 PHE 520 1HB PHE 520 0.961 -1.149 1.107 384 HB3 PHE 520 2HB PHE 520 1.665 0.463 1.074 385 HD1 PHE 520 1HD PHE 520 1.387 1.890 -0.793 386 HD2 PHE 520 2HD PHE 520 0.093 -2.161 -0.981 387 HE1 PHE 520 1HE PHE 520 0.179 2.376 -2.881 388 HE2 PHE 520 2HE PHE 520 -1.116 -1.681 -3.069 389 HZ PHE 520 HZ PHE 520 -1.073 0.589 -4.023 390 HA PRO 521 HA PRO 521 3.254 -5.224 -0.217 391 HB2 PRO 521 1HB PRO 521 1.727 -6.402 1.693 392 HB3 PRO 521 2HB PRO 521 3.395 -5.890 1.976 393 HG2 PRO 521 1HG PRO 521 0.842 -4.506 2.699 394 HG3 PRO 521 2HG PRO 521 2.318 -4.706 3.662 395 HD2 PRO 521 1HD PRO 521 1.736 -2.411 2.348 396 HD3 PRO 521 2HD PRO 521 3.401 -2.976 2.593 397 H ALA 522 H ALA 522 2.146 -5.633 -2.035 398 HA ALA 522 HA ALA 522 -0.488 -4.924 -2.589 399 HB1 ALA 522 1HB ALA 522 0.815 -7.321 -3.834 400 HB2 ALA 522 2HB ALA 522 -0.288 -6.154 -4.562 401 HB3 ALA 522 3HB ALA 522 1.369 -5.685 -4.187 402 H ASP 523 H ASP 523 0.761 -7.576 -0.772 403 HA ASP 523 HA ASP 523 -1.445 -9.339 -1.014 404 HB2 ASP 523 1HB ASP 523 0.774 -10.066 -0.220 405 HB3 ASP 523 2HB ASP 523 0.564 -9.095 1.236 406 H CYS 524 H CYS 524 -1.166 -6.346 0.461 407 HA CYS 524 HA CYS 524 -3.393 -6.933 2.299 408 HB2 CYS 524 1HB CYS 524 -1.451 -4.619 2.454 409 HB3 CYS 524 2HB CYS 524 -2.681 -5.042 3.639 410 HG CYS 524 HG CYS 524 0.087 -5.655 4.375 411 H VAL 525 H VAL 525 -3.049 -5.955 -0.678 412 HA VAL 525 HA VAL 525 -5.164 -3.922 -0.468 413 HB VAL 525 HB VAL 525 -4.229 -2.558 -2.139 414 HG11 VAL 525 1HG1 VAL 525 -2.966 -2.889 0.220 415 HG12 VAL 525 2HG1 VAL 525 -1.633 -3.186 -0.897 416 HG13 VAL 525 3HG1 VAL 525 -2.523 -1.665 -0.967 417 HG21 VAL 525 1HG2 VAL 525 -1.829 -3.529 -2.998 418 HG22 VAL 525 2HG2 VAL 525 -2.791 -5.002 -2.873 419 HG23 VAL 525 3HG2 VAL 525 -3.350 -3.668 -3.882 420 H GLU 526 H GLU 526 -6.655 -3.866 -2.196 421 HA GLU 526 HA GLU 526 -6.508 -6.097 -4.100 422 HB2 GLU 526 1HB GLU 526 -8.486 -5.687 -1.975 423 HB3 GLU 526 2HB GLU 526 -9.200 -5.931 -3.563 424 HG2 GLU 526 1HG GLU 526 -7.535 -7.947 -3.666 425 HG3 GLU 526 2HG GLU 526 -7.567 -7.790 -1.910 426 H GLU 527 H GLU 527 -7.110 -5.593 -6.126 427 HA GLU 527 HA GLU 527 -7.662 -2.848 -6.753 428 HB2 GLU 527 1HB GLU 527 -6.256 -4.513 -8.115 429 HB3 GLU 527 2HB GLU 527 -7.792 -5.140 -8.698 430 HG2 GLU 527 1HG GLU 527 -8.308 -3.172 -9.825 431 HG3 GLU 527 2HG GLU 527 -7.138 -2.228 -8.906 432 H VAL 528 H VAL 528 -9.532 -1.933 -7.468 433 HA VAL 528 HA VAL 528 -11.984 -3.124 -6.705 434 HB VAL 528 HB VAL 528 -13.059 -1.176 -7.752 435 HG11 VAL 528 1HG1 VAL 528 -12.280 0.410 -6.225 436 HG12 VAL 528 2HG1 VAL 528 -11.856 -1.134 -5.483 437 HG13 VAL 528 3HG1 VAL 528 -10.622 -0.183 -6.312 438 HG21 VAL 528 1HG2 VAL 528 -11.304 0.587 -8.597 439 HG22 VAL 528 2HG2 VAL 528 -10.350 -0.852 -8.955 440 HG23 VAL 528 3HG2 VAL 528 -11.941 -0.645 -9.687 441 H GLN 529 H GLN 529 -10.242 -2.944 -9.726 442 HA GLN 529 HA GLN 529 -12.165 -4.795 -10.907 443 HB2 GLN 529 1HB GLN 529 -11.287 -2.218 -12.217 444 HB3 GLN 529 2HB GLN 529 -12.144 -3.512 -13.044 445 HG2 GLN 529 1HG GLN 529 -13.191 -1.953 -10.692 446 HG3 GLN 529 2HG GLN 529 -13.625 -1.682 -12.378 447 HE21 GLN 529 1HE2 GLN 529 -15.962 -3.999 -10.402 448 HE22 GLN 529 2HE2 GLN 529 -15.097 -2.598 -9.880 449 H MET 530 H MET 530 -11.207 -6.387 -12.021 450 HA MET 530 HA MET 530 -8.326 -6.428 -12.163 451 HB2 MET 530 1HB MET 530 -9.932 -8.388 -11.589 452 HB3 MET 530 2HB MET 530 -10.115 -8.537 -13.332 453 HG2 MET 530 1HG MET 530 -7.927 -9.192 -13.641 454 HG3 MET 530 2HG MET 530 -7.389 -8.472 -12.126 455 HE1 MET 530 1HE MET 530 -6.070 -10.636 -11.091 456 HE2 MET 530 2HE MET 530 -6.614 -12.244 -11.567 457 HE3 MET 530 3HE MET 530 -6.231 -11.042 -12.800 Start of MODEL 4 1 H1 MET 470 H MET 470 -17.156 10.857 -6.537 2 HA MET 470 HA MET 470 -17.355 8.123 -7.612 3 HB2 MET 470 1HB MET 470 -19.419 9.468 -8.049 4 HB3 MET 470 2HB MET 470 -18.433 10.605 -8.959 5 HG2 MET 470 1HG MET 470 -19.365 9.247 -10.589 6 HG3 MET 470 2HG MET 470 -17.746 8.587 -10.370 7 HE1 MET 470 1HE MET 470 -18.058 6.184 -11.272 8 HE2 MET 470 2HE MET 470 -17.207 6.252 -9.728 9 HE3 MET 470 3HE MET 470 -18.416 4.999 -10.016 10 H VAL 471 H VAL 471 -15.304 7.672 -8.149 11 HA VAL 471 HA VAL 471 -13.926 9.557 -9.941 12 HB VAL 471 HB VAL 471 -12.794 9.803 -7.855 13 HG11 VAL 471 1HG1 VAL 471 -13.388 6.978 -7.584 14 HG12 VAL 471 2HG1 VAL 471 -11.712 7.348 -7.171 15 HG13 VAL 471 3HG1 VAL 471 -13.030 8.181 -6.345 16 HG21 VAL 471 1HG2 VAL 471 -10.832 7.928 -8.892 17 HG22 VAL 471 2HG2 VAL 471 -11.546 8.927 -10.158 18 HG23 VAL 471 3HG2 VAL 471 -10.762 9.686 -8.773 19 HA PRO 472 HA PRO 472 -14.227 5.453 -11.998 20 HB2 PRO 472 1HB PRO 472 -14.559 6.492 -14.484 21 HB3 PRO 472 2HB PRO 472 -15.899 6.254 -13.356 22 HG2 PRO 472 1HG PRO 472 -14.371 8.751 -13.984 23 HG3 PRO 472 2HG PRO 472 -16.118 8.531 -13.772 24 HD2 PRO 472 1HD PRO 472 -14.530 9.537 -11.823 25 HD3 PRO 472 2HD PRO 472 -15.969 8.560 -11.472 26 H GLY 473 H GLY 473 -12.353 4.461 -12.381 27 HA2 GLY 473 1HA GLY 473 -10.585 4.900 -14.392 28 HA3 GLY 473 2HA GLY 473 -9.996 5.953 -13.115 29 H ARG 474 H ARG 474 -8.803 5.108 -11.495 30 HA ARG 474 HA ARG 474 -8.714 2.195 -11.190 31 HB2 ARG 474 1HB ARG 474 -6.783 3.485 -12.616 32 HB3 ARG 474 2HB ARG 474 -6.096 3.530 -10.998 33 HG2 ARG 474 1HG ARG 474 -5.290 1.509 -11.472 34 HG3 ARG 474 2HG ARG 474 -6.937 0.934 -11.206 35 HD2 ARG 474 1HD ARG 474 -7.303 0.572 -13.400 36 HD3 ARG 474 2HD ARG 474 -6.398 2.003 -13.890 37 HE ARG 474 HE ARG 474 -4.470 0.298 -13.041 38 HH11 ARG 474 1HH1 ARG 474 -6.270 -1.111 -16.328 39 HH12 ARG 474 2HH1 ARG 474 -7.092 0.029 -15.315 40 HH21 ARG 474 1HH2 ARG 474 -4.158 -1.813 -15.786 41 HH22 ARG 474 2HH2 ARG 474 -3.378 -1.204 -14.366 42 H LYS 475 H LYS 475 -9.168 1.783 -9.139 43 HA LYS 475 HA LYS 475 -7.880 3.384 -7.048 44 HB2 LYS 475 1HB LYS 475 -9.992 4.394 -7.028 45 HB3 LYS 475 2HB LYS 475 -10.823 2.883 -7.374 46 HG2 LYS 475 1HG LYS 475 -10.703 2.159 -5.186 47 HG3 LYS 475 2HG LYS 475 -9.334 3.208 -4.806 48 HD2 LYS 475 1HD LYS 475 -12.107 4.217 -5.425 49 HD3 LYS 475 2HD LYS 475 -11.508 3.920 -3.790 50 HE2 LYS 475 1HE LYS 475 -9.595 5.487 -4.375 51 HE3 LYS 475 2HE LYS 475 -10.530 5.933 -5.801 52 HZ1 LYS 475 1HZ LYS 475 -10.970 6.603 -3.012 53 HZ2 LYS 475 2HZ LYS 475 -12.361 6.218 -3.894 54 HZ3 LYS 475 3HZ LYS 475 -11.354 7.476 -4.410 55 H PHE 476 H PHE 476 -7.497 2.288 -5.108 56 HA PHE 476 HA PHE 476 -8.043 -0.604 -5.157 57 HB2 PHE 476 1HB PHE 476 -5.475 0.849 -4.725 58 HB3 PHE 476 2HB PHE 476 -5.757 -0.622 -3.801 59 HD1 PHE 476 1HD PHE 476 -5.242 -2.673 -4.728 60 HD2 PHE 476 2HD PHE 476 -5.818 0.680 -7.285 61 HE1 PHE 476 1HE PHE 476 -4.521 -4.023 -6.655 62 HE2 PHE 476 2HE PHE 476 -5.100 -0.665 -9.216 63 HZ PHE 476 HZ PHE 476 -4.450 -3.020 -8.903 64 H ILE 477 H ILE 477 -7.950 -1.631 -3.008 65 HA ILE 477 HA ILE 477 -8.518 0.217 -0.798 66 HB ILE 477 HB ILE 477 -10.661 -0.608 -1.802 67 HG12 ILE 477 1HG1 ILE 477 -11.305 -1.719 0.602 68 HG13 ILE 477 2HG1 ILE 477 -9.808 -0.886 1.009 69 HG21 ILE 477 1HG2 ILE 477 -10.376 -3.246 -0.547 70 HG22 ILE 477 2HG2 ILE 477 -11.151 -2.785 -2.062 71 HG23 ILE 477 3HG2 ILE 477 -9.402 -3.002 -1.997 72 HD11 ILE 477 1HD1 ILE 477 -11.397 0.710 1.460 73 HD12 ILE 477 2HD1 ILE 477 -10.919 1.132 -0.185 74 HD13 ILE 477 3HD1 ILE 477 -12.413 0.238 0.098 75 H ALA 478 H ALA 478 -7.665 -0.366 1.121 76 HA ALA 478 HA ALA 478 -5.850 -2.591 1.189 77 HB1 ALA 478 1HB ALA 478 -4.860 -1.091 2.509 78 HB2 ALA 478 2HB ALA 478 -6.365 -0.215 2.788 79 HB3 ALA 478 3HB ALA 478 -5.977 -1.632 3.762 80 H VAL 479 H VAL 479 -6.122 -4.544 2.099 81 HA VAL 479 HA VAL 479 -8.723 -5.098 3.354 82 HB VAL 479 HB VAL 479 -8.135 -7.515 2.871 83 HG11 VAL 479 1HG1 VAL 479 -9.403 -5.640 1.357 84 HG12 VAL 479 2HG1 VAL 479 -8.206 -6.264 0.221 85 HG13 VAL 479 3HG1 VAL 479 -9.350 -7.364 0.990 86 HG21 VAL 479 1HG2 VAL 479 -6.192 -8.081 1.942 87 HG22 VAL 479 2HG2 VAL 479 -6.356 -6.855 0.685 88 HG23 VAL 479 3HG2 VAL 479 -5.655 -6.429 2.246 89 H LYS 480 H LYS 480 -5.350 -4.957 3.938 90 HA LYS 480 HA LYS 480 -5.777 -6.092 6.619 91 HB2 LYS 480 1HB LYS 480 -3.133 -6.363 5.229 92 HB3 LYS 480 2HB LYS 480 -3.781 -7.299 6.571 93 HG2 LYS 480 1HG LYS 480 -4.742 -7.431 3.720 94 HG3 LYS 480 2HG LYS 480 -3.684 -8.603 4.510 95 HD2 LYS 480 1HD LYS 480 -6.120 -8.085 6.018 96 HD3 LYS 480 2HD LYS 480 -6.440 -8.711 4.400 97 HE2 LYS 480 1HE LYS 480 -5.537 -10.734 4.861 98 HE3 LYS 480 2HE LYS 480 -4.293 -10.057 5.911 99 HZ1 LYS 480 1HZ LYS 480 -5.884 -11.407 7.142 100 HZ2 LYS 480 2HZ LYS 480 -7.151 -10.405 6.642 101 HZ3 LYS 480 3HZ LYS 480 -5.938 -9.795 7.650 102 H ALA 481 H ALA 481 -3.510 -5.543 7.874 103 HA ALA 481 HA ALA 481 -3.286 -2.616 7.671 104 HB1 ALA 481 1HB ALA 481 -3.315 -2.467 9.914 105 HB2 ALA 481 2HB ALA 481 -4.058 -4.064 9.823 106 HB3 ALA 481 3HB ALA 481 -2.328 -3.914 10.128 107 H HIS 482 H HIS 482 -1.193 -1.666 8.227 108 HA HIS 482 HA HIS 482 1.177 -3.216 8.319 109 HB2 HIS 482 1HB HIS 482 0.536 -3.567 5.932 110 HB3 HIS 482 2HB HIS 482 0.658 -1.828 5.683 111 HD1 HIS 482 1HD HIS 482 2.816 -4.809 6.544 112 HD2 HIS 482 2HD HIS 482 3.189 -0.901 5.186 113 HE1 HIS 482 1HE HIS 482 5.233 -4.550 5.902 114 H SER 483 H SER 483 3.064 -1.938 8.561 115 HA SER 483 HA SER 483 2.539 0.942 8.904 116 HB2 SER 483 1HB SER 483 4.669 -0.019 10.614 117 HB3 SER 483 2HB SER 483 3.198 0.852 11.047 118 HG SER 483 HG SER 483 3.572 -1.429 11.850 119 HA PRO 484 HA PRO 484 6.018 1.745 6.349 120 HB2 PRO 484 1HB PRO 484 6.928 4.063 7.428 121 HB3 PRO 484 2HB PRO 484 5.443 3.965 6.476 122 HG2 PRO 484 1HG PRO 484 5.787 4.021 9.449 123 HG3 PRO 484 2HG PRO 484 4.604 4.878 8.443 124 HD2 PRO 484 1HD PRO 484 3.995 2.618 9.806 125 HD3 PRO 484 2HD PRO 484 3.242 3.028 8.251 126 H GLN 485 H GLN 485 7.674 0.340 6.561 127 HA GLN 485 HA GLN 485 9.079 -0.281 8.873 128 HB2 GLN 485 1HB GLN 485 9.922 -0.420 5.978 129 HB3 GLN 485 2HB GLN 485 10.878 -1.087 7.295 130 HG2 GLN 485 1HG GLN 485 8.179 -1.956 6.324 131 HG3 GLN 485 2HG GLN 485 9.674 -2.889 6.408 132 HE21 GLN 485 1HE2 GLN 485 7.254 -2.498 9.649 133 HE22 GLN 485 2HE2 GLN 485 7.025 -1.542 8.229 134 H GLY 486 H GLY 486 9.383 2.439 6.753 135 HA2 GLY 486 1HA GLY 486 10.773 4.075 8.441 136 HA3 GLY 486 2HA GLY 486 12.028 3.181 7.596 137 H GLU 487 H GLU 487 12.105 3.340 5.257 138 HA GLU 487 HA GLU 487 10.902 5.841 4.265 139 HB2 GLU 487 1HB GLU 487 13.537 4.786 3.277 140 HB3 GLU 487 2HB GLU 487 12.880 6.411 3.135 141 HG2 GLU 487 1HG GLU 487 13.028 6.088 5.842 142 HG3 GLU 487 2HG GLU 487 14.439 5.193 5.279 143 H GLY 488 H GLY 488 9.964 5.811 2.277 144 HA2 GLY 488 1HA GLY 488 9.262 4.999 0.230 145 HA3 GLY 488 2HA GLY 488 10.443 3.707 0.381 146 H GLU 489 H GLU 489 8.037 4.347 2.835 147 HA GLU 489 HA GLU 489 6.317 2.208 1.872 148 HB2 GLU 489 1HB GLU 489 7.683 2.074 4.567 149 HB3 GLU 489 2HB GLU 489 6.427 0.979 4.006 150 HG2 GLU 489 1HG GLU 489 8.076 0.558 2.032 151 HG3 GLU 489 2HG GLU 489 9.275 1.189 3.160 152 H ILE 490 H ILE 490 4.236 2.271 2.710 153 HA ILE 490 HA ILE 490 3.646 4.529 4.510 154 HB ILE 490 HB ILE 490 1.394 4.583 3.231 155 HG12 ILE 490 1HG1 ILE 490 3.185 3.307 1.153 156 HG13 ILE 490 2HG1 ILE 490 1.796 2.541 1.916 157 HG21 ILE 490 1HG2 ILE 490 3.780 5.589 1.711 158 HG22 ILE 490 2HG2 ILE 490 2.184 6.322 1.860 159 HG23 ILE 490 3HG2 ILE 490 3.274 6.291 3.246 160 HD11 ILE 490 1HD1 ILE 490 0.810 4.921 0.878 161 HD12 ILE 490 2HD1 ILE 490 1.907 4.300 -0.356 162 HD13 ILE 490 3HD1 ILE 490 0.580 3.297 0.230 163 HA PRO 491 HA PRO 491 1.333 1.774 7.024 164 HB2 PRO 491 1HB PRO 491 -0.713 3.356 7.849 165 HB3 PRO 491 2HB PRO 491 0.945 3.551 8.428 166 HG2 PRO 491 1HG PRO 491 -0.510 5.079 6.305 167 HG3 PRO 491 2HG PRO 491 0.557 5.683 7.586 168 HD2 PRO 491 1HD PRO 491 1.388 5.353 5.029 169 HD3 PRO 491 2HD PRO 491 2.470 5.137 6.420 170 H LEU 492 H LEU 492 -0.940 0.927 7.411 171 HA LEU 492 HA LEU 492 -2.788 1.178 5.203 172 HB2 LEU 492 1HB LEU 492 -1.245 -1.346 5.726 173 HB3 LEU 492 2HB LEU 492 -2.796 -1.348 4.890 174 HG LEU 492 HG LEU 492 -0.261 0.003 3.965 175 HD11 LEU 492 1HD1 LEU 492 -1.663 -2.533 3.246 176 HD12 LEU 492 2HD1 LEU 492 0.056 -2.228 3.488 177 HD13 LEU 492 3HD1 LEU 492 -0.741 -1.660 2.022 178 HD21 LEU 492 1HD2 LEU 492 -1.547 1.314 2.721 179 HD22 LEU 492 2HD2 LEU 492 -3.005 0.529 3.327 180 HD23 LEU 492 3HD2 LEU 492 -2.175 -0.122 1.913 181 H HIS 493 H HIS 493 -4.857 0.493 5.705 182 HA HIS 493 HA HIS 493 -5.321 -0.897 8.220 183 HB2 HIS 493 1HB HIS 493 -5.624 1.954 7.927 184 HB3 HIS 493 2HB HIS 493 -7.189 1.212 8.253 185 HD1 HIS 493 1HD HIS 493 -7.594 0.304 10.591 186 HD2 HIS 493 2HD HIS 493 -3.707 1.647 10.005 187 HE1 HIS 493 1HE HIS 493 -6.545 0.342 12.876 188 H ARG 494 H ARG 494 -7.034 -2.226 8.113 189 HA ARG 494 HA ARG 494 -8.254 -2.924 5.758 190 HB2 ARG 494 1HB ARG 494 -10.039 -3.966 7.188 191 HB3 ARG 494 2HB ARG 494 -8.393 -4.393 7.634 192 HG2 ARG 494 1HG ARG 494 -8.484 -2.679 9.422 193 HG3 ARG 494 2HG ARG 494 -10.180 -2.405 9.015 194 HD2 ARG 494 1HD ARG 494 -10.746 -4.660 9.603 195 HD3 ARG 494 2HD ARG 494 -9.047 -5.080 9.816 196 HE ARG 494 HE ARG 494 -10.749 -3.741 11.702 197 HH11 ARG 494 1HH1 ARG 494 -6.781 -3.854 12.216 198 HH12 ARG 494 2HH1 ARG 494 -7.462 -4.236 10.670 199 HH21 ARG 494 1HH2 ARG 494 -8.150 -3.285 13.963 200 HH22 ARG 494 2HH2 ARG 494 -9.865 -3.235 13.743 201 H GLY 495 H GLY 495 -9.566 -1.860 4.438 202 HA2 GLY 495 1HA GLY 495 -11.682 -0.853 3.977 203 HA3 GLY 495 2HA GLY 495 -11.672 -0.169 5.596 204 H GLU 496 H GLU 496 -8.630 0.227 4.403 205 HA GLU 496 HA GLU 496 -9.046 3.043 3.976 206 HB2 GLU 496 1HB GLU 496 -6.673 1.235 4.141 207 HB3 GLU 496 2HB GLU 496 -6.480 2.814 3.392 208 HG2 GLU 496 1HG GLU 496 -7.608 3.700 5.546 209 HG3 GLU 496 2HG GLU 496 -7.154 2.136 6.220 210 H ALA 497 H ALA 497 -8.366 4.205 2.085 211 HA ALA 497 HA ALA 497 -8.870 2.681 -0.372 212 HB1 ALA 497 1HB ALA 497 -8.833 5.401 -0.998 213 HB2 ALA 497 2HB ALA 497 -10.249 4.366 -0.812 214 HB3 ALA 497 3HB ALA 497 -9.647 5.291 0.563 215 H VAL 498 H VAL 498 -7.007 1.932 -1.193 216 HA VAL 498 HA VAL 498 -4.629 3.639 -1.164 217 HB VAL 498 HB VAL 498 -4.662 0.839 -2.232 218 HG11 VAL 498 1HG1 VAL 498 -2.579 2.468 -0.779 219 HG12 VAL 498 2HG1 VAL 498 -2.356 0.842 -1.428 220 HG13 VAL 498 3HG1 VAL 498 -2.649 2.195 -2.520 221 HG21 VAL 498 1HG2 VAL 498 -4.146 0.029 0.049 222 HG22 VAL 498 2HG2 VAL 498 -4.543 1.628 0.678 223 HG23 VAL 498 3HG2 VAL 498 -5.789 0.654 -0.104 224 H LYS 499 H LYS 499 -3.374 3.952 -3.084 225 HA LYS 499 HA LYS 499 -4.871 3.616 -5.594 226 HB2 LYS 499 1HB LYS 499 -4.695 6.021 -4.424 227 HB3 LYS 499 2HB LYS 499 -3.167 6.031 -5.295 228 HG2 LYS 499 1HG LYS 499 -4.534 6.989 -6.847 229 HG3 LYS 499 2HG LYS 499 -4.676 5.291 -7.312 230 HD2 LYS 499 1HD LYS 499 -6.881 6.106 -7.285 231 HD3 LYS 499 2HD LYS 499 -6.707 5.209 -5.774 232 HE2 LYS 499 1HE LYS 499 -7.846 7.292 -5.344 233 HE3 LYS 499 2HE LYS 499 -6.244 7.339 -4.608 234 HZ1 LYS 499 1HZ LYS 499 -6.310 8.358 -7.297 235 HZ2 LYS 499 2HZ LYS 499 -5.626 9.029 -5.904 236 HZ3 LYS 499 3HZ LYS 499 -7.273 9.242 -6.224 237 H VAL 500 H VAL 500 -3.661 1.977 -6.426 238 HA VAL 500 HA VAL 500 -0.855 1.764 -6.233 239 HB VAL 500 HB VAL 500 -2.743 0.545 -8.251 240 HG11 VAL 500 1HG1 VAL 500 -0.816 0.133 -9.352 241 HG12 VAL 500 2HG1 VAL 500 0.182 0.377 -7.917 242 HG13 VAL 500 3HG1 VAL 500 -0.659 -1.154 -8.158 243 HG21 VAL 500 1HG2 VAL 500 -1.497 -0.683 -5.796 244 HG22 VAL 500 2HG2 VAL 500 -3.135 -0.032 -5.858 245 HG23 VAL 500 3HG2 VAL 500 -2.696 -1.412 -6.863 246 H LEU 501 H LEU 501 0.773 2.530 -7.459 247 HA LEU 501 HA LEU 501 0.085 4.008 -9.909 248 HB2 LEU 501 1HB LEU 501 1.994 4.832 -7.730 249 HB3 LEU 501 2HB LEU 501 1.908 5.608 -9.310 250 HG LEU 501 HG LEU 501 -0.234 5.578 -7.188 251 HD11 LEU 501 1HD1 LEU 501 0.166 8.119 -7.536 252 HD12 LEU 501 2HD1 LEU 501 1.722 7.603 -8.183 253 HD13 LEU 501 3HD1 LEU 501 1.276 7.191 -6.527 254 HD21 LEU 501 1HD2 LEU 501 -1.247 5.407 -9.391 255 HD22 LEU 501 2HD2 LEU 501 -0.277 6.765 -9.961 256 HD23 LEU 501 3HD2 LEU 501 -1.502 7.016 -8.716 257 H SER 502 H SER 502 2.737 2.527 -8.058 258 HA SER 502 HA SER 502 3.923 1.685 -10.622 259 HB2 SER 502 1HB SER 502 5.155 3.015 -8.278 260 HB3 SER 502 2HB SER 502 6.080 1.692 -8.990 261 HG SER 502 HG SER 502 6.178 2.775 -10.894 262 H ILE 503 H ILE 503 5.342 -0.253 -10.409 263 HA ILE 503 HA ILE 503 4.370 -2.076 -8.309 264 HB ILE 503 HB ILE 503 4.864 -2.789 -11.202 265 HG12 ILE 503 1HG1 ILE 503 2.781 -1.536 -10.884 266 HG13 ILE 503 2HG1 ILE 503 2.445 -3.218 -11.282 267 HG21 ILE 503 1HG2 ILE 503 3.469 -4.814 -9.805 268 HG22 ILE 503 2HG2 ILE 503 5.077 -4.889 -10.524 269 HG23 ILE 503 3HG2 ILE 503 4.885 -4.385 -8.845 270 HD11 ILE 503 1HD1 ILE 503 2.398 -2.067 -8.503 271 HD12 ILE 503 2HD1 ILE 503 0.981 -2.326 -9.521 272 HD13 ILE 503 3HD1 ILE 503 1.940 -3.702 -8.979 273 H GLY 504 H GLY 504 5.899 -3.152 -7.218 274 HA2 GLY 504 1HA GLY 504 8.679 -2.681 -7.921 275 HA3 GLY 504 2HA GLY 504 8.087 -3.416 -6.439 276 H GLU 505 H GLU 505 8.813 -5.419 -6.238 277 HA GLU 505 HA GLU 505 9.630 -6.967 -8.516 278 HB2 GLU 505 1HB GLU 505 9.616 -7.408 -5.550 279 HB3 GLU 505 2HB GLU 505 9.913 -8.757 -6.638 280 HG2 GLU 505 1HG GLU 505 11.677 -7.097 -7.669 281 HG3 GLU 505 2HG GLU 505 11.591 -6.376 -6.063 282 H GLY 506 H GLY 506 6.780 -6.683 -6.586 283 HA2 GLY 506 1HA GLY 506 4.925 -7.779 -8.107 284 HA3 GLY 506 2HA GLY 506 5.716 -9.238 -7.529 285 H GLY 507 H GLY 507 6.295 -7.962 -4.904 286 HA2 GLY 507 1HA GLY 507 3.588 -8.291 -3.781 287 HA3 GLY 507 2HA GLY 507 5.083 -8.660 -2.931 288 H PHE 508 H PHE 508 5.894 -5.940 -4.402 289 HA PHE 508 HA PHE 508 4.707 -4.185 -2.359 290 HB2 PHE 508 1HB PHE 508 7.354 -4.993 -2.393 291 HB3 PHE 508 2HB PHE 508 7.404 -3.415 -3.173 292 HD1 PHE 508 1HD PHE 508 8.121 -1.813 -1.702 293 HD2 PHE 508 2HD PHE 508 5.429 -4.811 -0.331 294 HE1 PHE 508 1HE PHE 508 8.032 -0.720 0.501 295 HE2 PHE 508 2HE PHE 508 5.334 -3.723 1.874 296 HZ PHE 508 HZ PHE 508 6.636 -1.673 2.291 297 H TRP 509 H TRP 509 3.500 -2.726 -3.360 298 HA TRP 509 HA TRP 509 4.443 -1.652 -5.938 299 HB2 TRP 509 1HB TRP 509 1.586 -1.756 -4.955 300 HB3 TRP 509 2HB TRP 509 2.139 -1.270 -6.555 301 HD1 TRP 509 HD TRP 509 4.259 -3.924 -6.513 302 HE1 TRP 509 1HE TRP 509 3.227 -6.172 -7.221 303 HE3 TRP 509 3HE TRP 509 -0.681 -2.795 -5.839 304 HZ2 TRP 509 2HZ TRP 509 0.657 -7.316 -7.461 305 HZ3 TRP 509 3HZ TRP 509 -2.362 -4.523 -6.331 306 HH2 TRP 509 HH TRP 509 -1.705 -6.735 -7.126 307 H GLU 510 H GLU 510 4.238 0.577 -6.323 308 HA GLU 510 HA GLU 510 4.211 2.182 -3.878 309 HB2 GLU 510 1HB GLU 510 6.055 2.979 -4.891 310 HB3 GLU 510 2HB GLU 510 5.581 2.335 -6.457 311 HG2 GLU 510 1HG GLU 510 5.757 4.724 -6.592 312 HG3 GLU 510 2HG GLU 510 4.067 4.252 -6.758 313 H GLY 511 H GLY 511 2.650 3.609 -3.413 314 HA2 GLY 511 1HA GLY 511 1.006 4.807 -5.447 315 HA3 GLY 511 2HA GLY 511 0.152 3.593 -4.505 316 H THR 512 H THR 512 -1.240 5.371 -3.870 317 HA THR 512 HA THR 512 -0.105 6.843 -1.590 318 HB THR 512 HB THR 512 -1.984 7.961 -3.677 319 HG1 THR 512 1HG THR 512 -0.259 9.424 -3.995 320 HG21 THR 512 1HG2 THR 512 -2.838 9.120 -1.941 321 HG22 THR 512 2HG2 THR 512 -1.347 10.052 -2.060 322 HG23 THR 512 3HG2 THR 512 -1.475 8.741 -0.889 323 H VAL 513 H VAL 513 -1.357 6.935 0.216 324 HA VAL 513 HA VAL 513 -4.156 6.154 0.099 325 HB VAL 513 HB VAL 513 -2.710 4.054 0.388 326 HG11 VAL 513 1HG1 VAL 513 -1.323 5.386 2.181 327 HG12 VAL 513 2HG1 VAL 513 -2.570 4.782 3.273 328 HG13 VAL 513 3HG1 VAL 513 -1.586 3.651 2.344 329 HG21 VAL 513 1HG2 VAL 513 -5.059 4.908 1.973 330 HG22 VAL 513 2HG2 VAL 513 -4.888 3.582 0.823 331 HG23 VAL 513 3HG2 VAL 513 -4.265 3.411 2.464 332 H LYS 514 H LYS 514 -5.355 7.157 1.613 333 HA LYS 514 HA LYS 514 -5.909 8.634 3.254 334 HB2 LYS 514 1HB LYS 514 -3.489 7.533 4.688 335 HB3 LYS 514 2HB LYS 514 -4.892 8.305 5.416 336 HG2 LYS 514 1HG LYS 514 -5.083 5.754 3.842 337 HG3 LYS 514 2HG LYS 514 -4.775 5.789 5.580 338 HD2 LYS 514 1HD LYS 514 -7.047 5.635 5.629 339 HD3 LYS 514 2HD LYS 514 -6.899 7.391 5.526 340 HE2 LYS 514 1HE LYS 514 -6.864 6.751 2.907 341 HE3 LYS 514 2HE LYS 514 -7.867 5.444 3.533 342 HZ1 LYS 514 1HZ LYS 514 -8.904 7.722 2.819 343 HZ2 LYS 514 2HZ LYS 514 -8.465 8.182 4.386 344 HZ3 LYS 514 3HZ LYS 514 -9.511 6.873 4.151 345 H GLY 515 H GLY 515 -3.846 9.368 1.179 346 HA2 GLY 515 1HA GLY 515 -3.072 11.555 0.738 347 HA3 GLY 515 2HA GLY 515 -3.041 11.867 2.467 348 H ARG 516 H ARG 516 -1.637 9.128 2.686 349 HA ARG 516 HA ARG 516 1.034 10.228 2.537 350 HB2 ARG 516 1HB ARG 516 0.096 7.503 3.451 351 HB3 ARG 516 2HB ARG 516 1.718 8.153 3.655 352 HG2 ARG 516 1HG ARG 516 1.031 8.840 5.654 353 HG3 ARG 516 2HG ARG 516 0.127 10.086 4.792 354 HD2 ARG 516 1HD ARG 516 -1.837 8.674 4.741 355 HD3 ARG 516 2HD ARG 516 -0.939 7.352 5.486 356 HE ARG 516 HE ARG 516 -0.980 9.767 7.051 357 HH11 ARG 516 1HH1 ARG 516 -3.484 6.737 7.817 358 HH12 ARG 516 2HH1 ARG 516 -2.638 6.797 6.306 359 HH21 ARG 516 1HH2 ARG 516 -3.171 8.390 9.374 360 HH22 ARG 516 2HH2 ARG 516 -2.088 9.699 9.045 361 H THR 517 H THR 517 2.713 9.480 1.272 362 HA THR 517 HA THR 517 1.925 7.732 -0.968 363 HB THR 517 HB THR 517 4.033 9.903 -0.960 364 HG1 THR 517 1HG THR 517 2.006 10.842 -1.030 365 HG21 THR 517 1HG2 THR 517 3.640 9.395 -3.545 366 HG22 THR 517 2HG2 THR 517 3.263 7.795 -2.905 367 HG23 THR 517 3HG2 THR 517 4.838 8.523 -2.589 368 H GLY 518 H GLY 518 3.345 6.135 -1.668 369 HA2 GLY 518 1HA GLY 518 5.917 5.605 -1.199 370 HA3 GLY 518 2HA GLY 518 5.217 5.228 0.369 371 H TRP 519 H TRP 519 6.248 3.105 -0.302 372 HA TRP 519 HA TRP 519 4.609 1.568 -2.166 373 HB2 TRP 519 1HB TRP 519 7.113 0.756 -0.672 374 HB3 TRP 519 2HB TRP 519 6.316 -0.170 -1.941 375 HD1 TRP 519 HD TRP 519 8.088 3.256 -1.527 376 HE1 TRP 519 1HE TRP 519 9.248 3.820 -3.754 377 HE3 TRP 519 3HE TRP 519 6.493 -0.728 -4.305 378 HZ2 TRP 519 2HZ TRP 519 9.458 2.721 -6.346 379 HZ3 TRP 519 3HZ TRP 519 7.218 -0.897 -6.649 380 HH2 TRP 519 HH TRP 519 8.670 0.793 -7.647 381 H PHE 520 H PHE 520 3.702 -0.479 -1.569 382 HA PHE 520 HA PHE 520 3.453 -1.078 1.262 383 HB2 PHE 520 1HB PHE 520 0.934 -1.171 1.062 384 HB3 PHE 520 2HB PHE 520 1.629 0.448 1.058 385 HD1 PHE 520 1HD PHE 520 0.056 -2.151 -1.009 386 HD2 PHE 520 2HD PHE 520 1.464 1.863 -0.851 387 HE1 PHE 520 1HE PHE 520 -1.100 -1.667 -3.125 388 HE2 PHE 520 2HE PHE 520 0.309 2.354 -2.967 389 HZ PHE 520 HZ PHE 520 -0.976 0.589 -4.107 390 HA PRO 521 HA PRO 521 3.281 -5.235 -0.131 391 HB2 PRO 521 1HB PRO 521 1.708 -6.389 1.756 392 HB3 PRO 521 2HB PRO 521 3.365 -5.864 2.076 393 HG2 PRO 521 1HG PRO 521 0.786 -4.481 2.705 394 HG3 PRO 521 2HG PRO 521 2.235 -4.657 3.711 395 HD2 PRO 521 1HD PRO 521 1.679 -2.388 2.344 396 HD3 PRO 521 2HD PRO 521 3.340 -2.939 2.644 397 H ALA 522 H ALA 522 2.227 -5.700 -1.965 398 HA ALA 522 HA ALA 522 -0.386 -5.004 -2.620 399 HB1 ALA 522 1HB ALA 522 1.359 -5.685 -4.239 400 HB2 ALA 522 2HB ALA 522 1.155 -7.356 -3.709 401 HB3 ALA 522 3HB ALA 522 -0.181 -6.507 -4.490 402 H ASP 523 H ASP 523 0.817 -7.659 -0.750 403 HA ASP 523 HA ASP 523 -1.433 -9.372 -0.986 404 HB2 ASP 523 1HB ASP 523 0.926 -9.931 -0.119 405 HB3 ASP 523 2HB ASP 523 0.377 -9.266 1.418 406 H CYS 524 H CYS 524 -1.097 -6.378 0.457 407 HA CYS 524 HA CYS 524 -3.313 -6.911 2.323 408 HB2 CYS 524 1HB CYS 524 -1.293 -4.662 2.438 409 HB3 CYS 524 2HB CYS 524 -2.558 -4.985 3.617 410 HG CYS 524 HG CYS 524 -0.036 -5.719 4.653 411 H VAL 525 H VAL 525 -3.023 -6.004 -0.660 412 HA VAL 525 HA VAL 525 -5.111 -3.949 -0.457 413 HB VAL 525 HB VAL 525 -4.164 -2.578 -2.138 414 HG11 VAL 525 1HG1 VAL 525 -2.439 -1.650 -0.971 415 HG12 VAL 525 2HG1 VAL 525 -3.064 -2.740 0.269 416 HG13 VAL 525 3HG1 VAL 525 -1.652 -3.202 -0.682 417 HG21 VAL 525 1HG2 VAL 525 -3.143 -3.633 -3.823 418 HG22 VAL 525 2HG2 VAL 525 -1.684 -3.537 -2.838 419 HG23 VAL 525 3HG2 VAL 525 -2.677 -4.995 -2.803 420 H GLU 526 H GLU 526 -6.559 -3.861 -2.229 421 HA GLU 526 HA GLU 526 -6.332 -5.900 -4.292 422 HB2 GLU 526 1HB GLU 526 -8.242 -6.019 -2.033 423 HB3 GLU 526 2HB GLU 526 -8.909 -6.351 -3.626 424 HG2 GLU 526 1HG GLU 526 -6.448 -7.742 -2.636 425 HG3 GLU 526 2HG GLU 526 -8.066 -8.321 -2.241 426 H GLU 527 H GLU 527 -7.324 -5.340 -6.170 427 HA GLU 527 HA GLU 527 -7.928 -2.708 -6.728 428 HB2 GLU 527 1HB GLU 527 -9.051 -5.124 -8.157 429 HB3 GLU 527 2HB GLU 527 -8.906 -3.499 -8.815 430 HG2 GLU 527 1HG GLU 527 -6.697 -3.709 -9.223 431 HG3 GLU 527 2HG GLU 527 -6.421 -4.741 -7.820 432 H VAL 528 H VAL 528 -9.963 -1.695 -7.333 433 HA VAL 528 HA VAL 528 -11.836 -1.571 -5.360 434 HB VAL 528 HB VAL 528 -13.443 -0.725 -7.138 435 HG11 VAL 528 1HG1 VAL 528 -12.526 1.202 -6.531 436 HG12 VAL 528 2HG1 VAL 528 -11.021 0.381 -6.115 437 HG13 VAL 528 3HG1 VAL 528 -11.277 0.978 -7.755 438 HG21 VAL 528 1HG2 VAL 528 -13.003 -0.926 -9.320 439 HG22 VAL 528 2HG2 VAL 528 -11.311 -0.478 -9.110 440 HG23 VAL 528 3HG2 VAL 528 -11.820 -2.145 -8.846 441 H GLN 529 H GLN 529 -12.850 -3.276 -4.494 442 HA GLN 529 HA GLN 529 -13.591 -5.613 -5.868 443 HB2 GLN 529 1HB GLN 529 -14.767 -4.518 -3.307 444 HB3 GLN 529 2HB GLN 529 -14.861 -6.183 -3.865 445 HG2 GLN 529 1HG GLN 529 -12.798 -6.676 -3.153 446 HG3 GLN 529 2HG GLN 529 -12.141 -5.118 -3.655 447 HE21 GLN 529 1HE2 GLN 529 -13.280 -3.540 -0.562 448 HE22 GLN 529 2HE2 GLN 529 -13.475 -3.308 -2.262 449 H MET 530 H MET 530 -15.031 -2.529 -5.770 450 HA MET 530 HA MET 530 -17.744 -3.262 -6.153 451 HB2 MET 530 1HB MET 530 -16.688 -0.965 -5.503 452 HB3 MET 530 2HB MET 530 -16.579 -0.721 -7.241 453 HG2 MET 530 1HG MET 530 -19.065 -1.278 -7.302 454 HG3 MET 530 2HG MET 530 -19.030 -1.065 -5.554 455 HE1 MET 530 1HE MET 530 -20.226 2.407 -5.506 456 HE2 MET 530 2HE MET 530 -21.028 0.954 -6.104 457 HE3 MET 530 3HE MET 530 -19.983 0.864 -4.685 Start of MODEL 5 1 H1 MET 470 H MET 470 -14.182 -4.765 -16.103 2 HA MET 470 HA MET 470 -14.601 -2.074 -17.193 3 HB2 MET 470 1HB MET 470 -16.439 -3.892 -17.121 4 HB3 MET 470 2HB MET 470 -16.527 -3.531 -15.402 5 HG2 MET 470 1HG MET 470 -17.112 -1.245 -15.861 6 HG3 MET 470 2HG MET 470 -16.886 -1.499 -17.591 7 HE1 MET 470 1HE MET 470 -19.440 -0.155 -17.100 8 HE2 MET 470 2HE MET 470 -19.127 -0.951 -18.643 9 HE3 MET 470 3HE MET 470 -20.669 -1.197 -17.822 10 H VAL 471 H VAL 471 -12.736 -1.358 -15.872 11 HA VAL 471 HA VAL 471 -13.456 -0.964 -13.043 12 HB VAL 471 HB VAL 471 -11.363 -2.099 -13.191 13 HG11 VAL 471 1HG1 VAL 471 -10.205 -1.933 -15.086 14 HG12 VAL 471 2HG1 VAL 471 -10.993 -0.413 -15.515 15 HG13 VAL 471 3HG1 VAL 471 -9.573 -0.407 -14.467 16 HG21 VAL 471 1HG2 VAL 471 -10.336 -0.830 -11.657 17 HG22 VAL 471 2HG2 VAL 471 -10.172 0.536 -12.761 18 HG23 VAL 471 3HG2 VAL 471 -11.683 0.286 -11.887 19 HA PRO 472 HA PRO 472 -14.029 3.195 -14.924 20 HB2 PRO 472 1HB PRO 472 -16.074 3.887 -13.277 21 HB3 PRO 472 2HB PRO 472 -16.308 2.957 -14.762 22 HG2 PRO 472 1HG PRO 472 -16.139 1.996 -11.932 23 HG3 PRO 472 2HG PRO 472 -17.256 1.501 -13.217 24 HD2 PRO 472 1HD PRO 472 -15.082 0.038 -12.532 25 HD3 PRO 472 2HD PRO 472 -15.710 0.095 -14.192 26 H GLY 473 H GLY 473 -11.870 3.480 -13.860 27 HA2 GLY 473 1HA GLY 473 -11.001 5.394 -12.619 28 HA3 GLY 473 2HA GLY 473 -12.195 5.046 -11.378 29 H ARG 474 H ARG 474 -9.009 4.585 -12.383 30 HA ARG 474 HA ARG 474 -8.389 2.105 -11.208 31 HB2 ARG 474 1HB ARG 474 -7.008 3.942 -12.678 32 HB3 ARG 474 2HB ARG 474 -6.290 4.166 -11.088 33 HG2 ARG 474 1HG ARG 474 -4.921 2.521 -11.758 34 HG3 ARG 474 2HG ARG 474 -6.252 1.475 -11.259 35 HD2 ARG 474 1HD ARG 474 -5.763 0.699 -13.388 36 HD3 ARG 474 2HD ARG 474 -7.106 1.805 -13.675 37 HE ARG 474 HE ARG 474 -4.841 3.324 -13.976 38 HH11 ARG 474 1HH1 ARG 474 -5.386 0.723 -16.970 39 HH12 ARG 474 2HH1 ARG 474 -6.133 0.439 -15.433 40 HH21 ARG 474 1HH2 ARG 474 -4.087 2.583 -17.289 41 HH22 ARG 474 2HH2 ARG 474 -3.852 3.710 -15.995 42 H LYS 475 H LYS 475 -9.140 1.781 -9.172 43 HA LYS 475 HA LYS 475 -7.909 3.401 -7.062 44 HB2 LYS 475 1HB LYS 475 -10.037 4.373 -7.059 45 HB3 LYS 475 2HB LYS 475 -10.838 2.851 -7.430 46 HG2 LYS 475 1HG LYS 475 -10.755 2.119 -5.248 47 HG3 LYS 475 2HG LYS 475 -9.390 3.161 -4.839 48 HD2 LYS 475 1HD LYS 475 -11.380 4.011 -3.778 49 HD3 LYS 475 2HD LYS 475 -10.884 5.127 -5.053 50 HE2 LYS 475 1HE LYS 475 -13.235 4.896 -5.236 51 HE3 LYS 475 2HE LYS 475 -12.536 3.960 -6.556 52 HZ1 LYS 475 1HZ LYS 475 -12.704 2.099 -4.664 53 HZ2 LYS 475 2HZ LYS 475 -13.931 2.393 -5.790 54 HZ3 LYS 475 3HZ LYS 475 -14.030 3.059 -4.238 55 H PHE 476 H PHE 476 -7.522 2.307 -5.124 56 HA PHE 476 HA PHE 476 -8.026 -0.593 -5.176 57 HB2 PHE 476 1HB PHE 476 -5.476 0.889 -4.778 58 HB3 PHE 476 2HB PHE 476 -5.737 -0.553 -3.803 59 HD1 PHE 476 1HD PHE 476 -5.783 0.646 -7.321 60 HD2 PHE 476 2HD PHE 476 -5.251 -2.643 -4.673 61 HE1 PHE 476 1HE PHE 476 -5.059 -0.753 -9.210 62 HE2 PHE 476 2HE PHE 476 -4.525 -4.048 -6.558 63 HZ PHE 476 HZ PHE 476 -4.427 -3.103 -8.830 64 H ILE 477 H ILE 477 -7.914 -1.618 -3.024 65 HA ILE 477 HA ILE 477 -8.499 0.222 -0.813 66 HB ILE 477 HB ILE 477 -10.639 -0.610 -1.825 67 HG12 ILE 477 1HG1 ILE 477 -11.323 -1.687 0.562 68 HG13 ILE 477 2HG1 ILE 477 -9.797 -0.925 0.996 69 HG21 ILE 477 1HG2 ILE 477 -9.376 -2.998 -2.017 70 HG22 ILE 477 2HG2 ILE 477 -10.337 -3.243 -0.559 71 HG23 ILE 477 3HG2 ILE 477 -11.127 -2.791 -2.070 72 HD11 ILE 477 1HD1 ILE 477 -10.726 1.186 -0.054 73 HD12 ILE 477 2HD1 ILE 477 -12.287 0.363 -0.063 74 HD13 ILE 477 3HD1 ILE 477 -11.454 0.660 1.463 75 H ALA 478 H ALA 478 -7.651 -0.368 1.107 76 HA ALA 478 HA ALA 478 -5.818 -2.574 1.171 77 HB1 ALA 478 1HB ALA 478 -4.841 -1.166 2.584 78 HB2 ALA 478 2HB ALA 478 -6.307 -0.193 2.719 79 HB3 ALA 478 3HB ALA 478 -6.076 -1.592 3.768 80 H VAL 479 H VAL 479 -6.066 -4.539 2.066 81 HA VAL 479 HA VAL 479 -8.673 -5.141 3.288 82 HB VAL 479 HB VAL 479 -8.053 -7.545 2.773 83 HG11 VAL 479 1HG1 VAL 479 -8.137 -6.247 0.145 84 HG12 VAL 479 2HG1 VAL 479 -9.264 -7.384 0.889 85 HG13 VAL 479 3HG1 VAL 479 -9.347 -5.668 1.290 86 HG21 VAL 479 1HG2 VAL 479 -6.105 -8.074 1.831 87 HG22 VAL 479 2HG2 VAL 479 -6.278 -6.821 0.601 88 HG23 VAL 479 3HG2 VAL 479 -5.587 -6.423 2.174 89 H LYS 480 H LYS 480 -5.313 -4.950 3.903 90 HA LYS 480 HA LYS 480 -5.740 -6.129 6.564 91 HB2 LYS 480 1HB LYS 480 -3.092 -6.379 5.179 92 HB3 LYS 480 2HB LYS 480 -3.738 -7.327 6.511 93 HG2 LYS 480 1HG LYS 480 -4.692 -7.441 3.658 94 HG3 LYS 480 2HG LYS 480 -3.633 -8.615 4.442 95 HD2 LYS 480 1HD LYS 480 -6.076 -8.114 5.945 96 HD3 LYS 480 2HD LYS 480 -6.386 -8.733 4.322 97 HE2 LYS 480 1HE LYS 480 -5.456 -10.752 4.771 98 HE3 LYS 480 2HE LYS 480 -4.246 -10.073 5.858 99 HZ1 LYS 480 1HZ LYS 480 -6.739 -9.712 7.046 100 HZ2 LYS 480 2HZ LYS 480 -5.486 -10.730 7.551 101 HZ3 LYS 480 3HZ LYS 480 -6.681 -11.315 6.507 102 H ALA 481 H ALA 481 -3.482 -5.586 7.834 103 HA ALA 481 HA ALA 481 -3.268 -2.655 7.662 104 HB1 ALA 481 1HB ALA 481 -2.324 -4.005 10.104 105 HB2 ALA 481 2HB ALA 481 -3.271 -2.529 9.913 106 HB3 ALA 481 3HB ALA 481 -4.057 -4.104 9.793 107 H HIS 482 H HIS 482 -1.190 -1.690 8.173 108 HA HIS 482 HA HIS 482 1.192 -3.233 8.276 109 HB2 HIS 482 1HB HIS 482 0.551 -3.567 5.885 110 HB3 HIS 482 2HB HIS 482 0.666 -1.825 5.652 111 HD1 HIS 482 1HD HIS 482 2.834 -4.807 6.480 112 HD2 HIS 482 2HD HIS 482 3.196 -0.882 5.168 113 HE1 HIS 482 1HE HIS 482 5.251 -4.532 5.842 114 H SER 483 H SER 483 3.069 -1.950 8.538 115 HA SER 483 HA SER 483 2.532 0.926 8.898 116 HB2 SER 483 1HB SER 483 4.658 -0.027 10.611 117 HB3 SER 483 2HB SER 483 3.173 0.819 11.045 118 HG SER 483 HG SER 483 2.374 -1.007 11.689 119 HA PRO 484 HA PRO 484 6.017 1.760 6.364 120 HB2 PRO 484 1HB PRO 484 6.916 4.074 7.463 121 HB3 PRO 484 2HB PRO 484 5.434 3.978 6.504 122 HG2 PRO 484 1HG PRO 484 5.769 4.012 9.480 123 HG3 PRO 484 2HG PRO 484 4.585 4.872 8.476 124 HD2 PRO 484 1HD PRO 484 3.979 2.600 9.819 125 HD3 PRO 484 2HD PRO 484 3.230 3.020 8.265 126 H GLN 485 H GLN 485 7.677 0.358 6.572 127 HA GLN 485 HA GLN 485 9.076 -0.271 8.887 128 HB2 GLN 485 1HB GLN 485 9.927 -0.402 5.994 129 HB3 GLN 485 2HB GLN 485 10.877 -1.075 7.312 130 HG2 GLN 485 1HG GLN 485 8.179 -1.936 6.331 131 HG3 GLN 485 2HG GLN 485 9.672 -2.871 6.413 132 HE21 GLN 485 1HE2 GLN 485 7.251 -2.489 9.655 133 HE22 GLN 485 2HE2 GLN 485 7.027 -1.523 8.239 134 H GLY 486 H GLY 486 9.373 2.460 6.782 135 HA2 GLY 486 1HA GLY 486 10.768 4.085 8.475 136 HA3 GLY 486 2HA GLY 486 12.021 3.202 7.617 137 H GLU 487 H GLU 487 12.098 3.387 5.285 138 HA GLU 487 HA GLU 487 10.882 5.890 4.315 139 HB2 GLU 487 1HB GLU 487 13.518 4.840 3.324 140 HB3 GLU 487 2HB GLU 487 12.855 6.460 3.166 141 HG2 GLU 487 1HG GLU 487 13.040 6.621 5.691 142 HG3 GLU 487 2HG GLU 487 14.021 5.159 5.603 143 H GLY 488 H GLY 488 9.978 5.893 2.302 144 HA2 GLY 488 1HA GLY 488 9.249 5.090 0.264 145 HA3 GLY 488 2HA GLY 488 10.437 3.803 0.396 146 H GLU 489 H GLU 489 8.041 4.403 2.870 147 HA GLU 489 HA GLU 489 6.336 2.256 1.894 148 HB2 GLU 489 1HB GLU 489 7.701 2.131 4.590 149 HB3 GLU 489 2HB GLU 489 6.450 1.029 4.031 150 HG2 GLU 489 1HG GLU 489 8.107 0.629 2.050 151 HG3 GLU 489 2HG GLU 489 9.297 1.245 3.195 152 H ILE 490 H ILE 490 4.252 2.303 2.719 153 HA ILE 490 HA ILE 490 3.635 4.550 4.524 154 HB ILE 490 HB ILE 490 1.389 4.594 3.237 155 HG12 ILE 490 1HG1 ILE 490 3.195 3.331 1.162 156 HG13 ILE 490 2HG1 ILE 490 1.807 2.558 1.918 157 HG21 ILE 490 1HG2 ILE 490 2.191 6.322 1.831 158 HG22 ILE 490 2HG2 ILE 490 3.214 6.333 3.265 159 HG23 ILE 490 3HG2 ILE 490 3.805 5.617 1.765 160 HD11 ILE 490 1HD1 ILE 490 1.917 4.309 -0.355 161 HD12 ILE 490 2HD1 ILE 490 0.585 3.318 0.240 162 HD13 ILE 490 3HD1 ILE 490 0.827 4.945 0.877 163 HA PRO 491 HA PRO 491 1.335 1.767 7.019 164 HB2 PRO 491 1HB PRO 491 -0.722 3.333 7.847 165 HB3 PRO 491 2HB PRO 491 0.934 3.534 8.431 166 HG2 PRO 491 1HG PRO 491 -0.526 5.065 6.313 167 HG3 PRO 491 2HG PRO 491 0.536 5.668 7.599 168 HD2 PRO 491 1HD PRO 491 1.374 5.358 5.043 169 HD3 PRO 491 2HD PRO 491 2.455 5.140 6.435 170 H LEU 492 H LEU 492 -0.950 0.926 7.403 171 HA LEU 492 HA LEU 492 -2.788 1.172 5.189 172 HB2 LEU 492 1HB LEU 492 -1.238 -1.350 5.704 173 HB3 LEU 492 2HB LEU 492 -2.784 -1.350 4.861 174 HG LEU 492 HG LEU 492 -0.251 0.018 3.956 175 HD11 LEU 492 1HD1 LEU 492 -0.717 -1.645 2.005 176 HD12 LEU 492 2HD1 LEU 492 -1.624 -2.531 3.230 177 HD13 LEU 492 3HD1 LEU 492 0.093 -2.205 3.469 178 HD21 LEU 492 1HD2 LEU 492 -2.991 0.532 3.306 179 HD22 LEU 492 2HD2 LEU 492 -2.161 -0.122 1.895 180 HD23 LEU 492 3HD2 LEU 492 -1.535 1.318 2.698 181 H HIS 493 H HIS 493 -4.856 0.473 5.683 182 HA HIS 493 HA HIS 493 -5.318 -0.928 8.192 183 HB2 HIS 493 1HB HIS 493 -5.700 1.931 7.859 184 HB3 HIS 493 2HB HIS 493 -7.205 1.125 8.288 185 HD1 HIS 493 1HD HIS 493 -7.483 0.399 10.681 186 HD2 HIS 493 2HD HIS 493 -3.603 1.599 9.808 187 HE1 HIS 493 1HE HIS 493 -6.292 0.490 12.895 188 H ARG 494 H ARG 494 -7.018 -2.270 8.073 189 HA ARG 494 HA ARG 494 -8.228 -2.967 5.714 190 HB2 ARG 494 1HB ARG 494 -10.062 -3.953 7.197 191 HB3 ARG 494 2HB ARG 494 -8.415 -4.490 7.497 192 HG2 ARG 494 1HG ARG 494 -8.233 -3.098 9.425 193 HG3 ARG 494 2HG ARG 494 -9.770 -2.309 9.062 194 HD2 ARG 494 1HD ARG 494 -9.452 -5.242 9.687 195 HD3 ARG 494 2HD ARG 494 -9.917 -4.014 10.864 196 HE ARG 494 HE ARG 494 -11.682 -3.813 8.730 197 HH11 ARG 494 1HH1 ARG 494 -12.374 -6.873 11.217 198 HH12 ARG 494 2HH1 ARG 494 -10.803 -6.145 11.161 199 HH21 ARG 494 1HH2 ARG 494 -14.052 -6.088 9.869 200 HH22 ARG 494 2HH2 ARG 494 -13.755 -4.764 8.794 201 H GLY 495 H GLY 495 -9.541 -1.905 4.392 202 HA2 GLY 495 1HA GLY 495 -11.665 -0.912 3.931 203 HA3 GLY 495 2HA GLY 495 -11.661 -0.232 5.552 204 H GLU 496 H GLU 496 -8.621 0.184 4.359 205 HA GLU 496 HA GLU 496 -9.058 2.998 3.934 206 HB2 GLU 496 1HB GLU 496 -6.673 1.210 4.126 207 HB3 GLU 496 2HB GLU 496 -6.484 2.781 3.361 208 HG2 GLU 496 1HG GLU 496 -7.659 3.660 5.513 209 HG3 GLU 496 2HG GLU 496 -7.135 2.120 6.192 210 H ALA 497 H ALA 497 -8.405 4.166 2.045 211 HA ALA 497 HA ALA 497 -8.866 2.632 -0.412 212 HB1 ALA 497 1HB ALA 497 -8.876 5.628 -0.199 213 HB2 ALA 497 2HB ALA 497 -9.643 4.603 -1.413 214 HB3 ALA 497 3HB ALA 497 -10.285 4.655 0.228 215 H VAL 498 H VAL 498 -6.992 1.909 -1.228 216 HA VAL 498 HA VAL 498 -4.633 3.643 -1.182 217 HB VAL 498 HB VAL 498 -4.627 0.845 -2.260 218 HG11 VAL 498 1HG1 VAL 498 -2.328 0.876 -1.404 219 HG12 VAL 498 2HG1 VAL 498 -2.623 2.198 -2.537 220 HG13 VAL 498 3HG1 VAL 498 -2.580 2.515 -0.802 221 HG21 VAL 498 1HG2 VAL 498 -5.061 1.682 0.539 222 HG22 VAL 498 2HG2 VAL 498 -5.514 0.189 -0.283 223 HG23 VAL 498 3HG2 VAL 498 -3.858 0.419 0.277 224 H LYS 499 H LYS 499 -3.359 3.943 -3.103 225 HA LYS 499 HA LYS 499 -4.851 3.617 -5.617 226 HB2 LYS 499 1HB LYS 499 -4.689 6.018 -4.448 227 HB3 LYS 499 2HB LYS 499 -3.146 6.032 -5.291 228 HG2 LYS 499 1HG LYS 499 -4.511 7.007 -6.847 229 HG3 LYS 499 2HG LYS 499 -4.593 5.315 -7.344 230 HD2 LYS 499 1HD LYS 499 -6.821 5.988 -7.360 231 HD3 LYS 499 2HD LYS 499 -6.651 5.191 -5.794 232 HE2 LYS 499 1HE LYS 499 -6.249 7.437 -4.783 233 HE3 LYS 499 2HE LYS 499 -6.629 8.154 -6.348 234 HZ1 LYS 499 1HZ LYS 499 -8.556 8.165 -4.916 235 HZ2 LYS 499 2HZ LYS 499 -8.457 6.491 -4.701 236 HZ3 LYS 499 3HZ LYS 499 -8.826 7.128 -6.225 237 H VAL 500 H VAL 500 -3.638 1.978 -6.443 238 HA VAL 500 HA VAL 500 -0.834 1.762 -6.243 239 HB VAL 500 HB VAL 500 -2.718 0.548 -8.269 240 HG11 VAL 500 1HG1 VAL 500 -0.795 0.129 -9.370 241 HG12 VAL 500 2HG1 VAL 500 0.205 0.388 -7.940 242 HG13 VAL 500 3HG1 VAL 500 -0.628 -1.150 -8.168 243 HG21 VAL 500 1HG2 VAL 500 -3.119 -0.038 -5.886 244 HG22 VAL 500 2HG2 VAL 500 -2.664 -1.416 -6.887 245 HG23 VAL 500 3HG2 VAL 500 -1.479 -0.678 -5.809 246 H LEU 501 H LEU 501 0.799 2.528 -7.464 247 HA LEU 501 HA LEU 501 0.120 4.010 -9.914 248 HB2 LEU 501 1HB LEU 501 2.034 4.834 -7.737 249 HB3 LEU 501 2HB LEU 501 1.923 5.620 -9.311 250 HG LEU 501 HG LEU 501 -0.205 5.549 -7.174 251 HD11 LEU 501 1HD1 LEU 501 0.201 8.111 -7.526 252 HD12 LEU 501 2HD1 LEU 501 1.777 7.570 -8.104 253 HD13 LEU 501 3HD1 LEU 501 1.254 7.171 -6.468 254 HD21 LEU 501 1HD2 LEU 501 -1.489 6.999 -8.668 255 HD22 LEU 501 2HD2 LEU 501 -1.212 5.414 -9.389 256 HD23 LEU 501 3HD2 LEU 501 -0.260 6.802 -9.918 257 H SER 502 H SER 502 2.745 2.499 -8.053 258 HA SER 502 HA SER 502 3.943 1.659 -10.610 259 HB2 SER 502 1HB SER 502 5.175 3.019 -8.285 260 HB3 SER 502 2HB SER 502 6.105 1.693 -8.982 261 HG SER 502 HG SER 502 6.649 3.040 -10.484 262 H ILE 503 H ILE 503 5.372 -0.271 -10.380 263 HA ILE 503 HA ILE 503 4.435 -2.069 -8.244 264 HB ILE 503 HB ILE 503 4.888 -2.864 -11.123 265 HG12 ILE 503 1HG1 ILE 503 2.856 -1.503 -10.847 266 HG13 ILE 503 2HG1 ILE 503 2.461 -3.175 -11.234 267 HG21 ILE 503 1HG2 ILE 503 3.419 -4.821 -9.805 268 HG22 ILE 503 2HG2 ILE 503 5.114 -4.911 -10.280 269 HG23 ILE 503 3HG2 ILE 503 4.680 -4.361 -8.661 270 HD11 ILE 503 1HD1 ILE 503 2.464 -2.088 -8.435 271 HD12 ILE 503 2HD1 ILE 503 1.040 -2.109 -9.476 272 HD13 ILE 503 3HD1 ILE 503 1.809 -3.624 -9.003 273 H GLY 504 H GLY 504 5.943 -3.380 -7.320 274 HA2 GLY 504 1HA GLY 504 8.725 -2.895 -8.127 275 HA3 GLY 504 2HA GLY 504 8.199 -3.479 -6.555 276 H GLU 505 H GLU 505 8.271 -5.606 -6.164 277 HA GLU 505 HA GLU 505 9.024 -7.355 -8.396 278 HB2 GLU 505 1HB GLU 505 9.222 -7.878 -5.425 279 HB3 GLU 505 2HB GLU 505 9.879 -8.884 -6.709 280 HG2 GLU 505 1HG GLU 505 10.805 -6.135 -6.855 281 HG3 GLU 505 2HG GLU 505 11.216 -6.918 -5.331 282 H GLY 506 H GLY 506 6.246 -6.441 -7.603 283 HA2 GLY 506 1HA GLY 506 4.234 -7.569 -8.081 284 HA3 GLY 506 2HA GLY 506 5.040 -9.097 -7.759 285 H GLY 507 H GLY 507 6.128 -7.782 -5.212 286 HA2 GLY 507 1HA GLY 507 3.717 -8.337 -3.611 287 HA3 GLY 507 2HA GLY 507 5.371 -8.544 -3.055 288 H PHE 508 H PHE 508 5.998 -5.875 -4.395 289 HA PHE 508 HA PHE 508 4.767 -4.135 -2.363 290 HB2 PHE 508 1HB PHE 508 7.436 -4.892 -2.422 291 HB3 PHE 508 2HB PHE 508 7.440 -3.302 -3.176 292 HD1 PHE 508 1HD PHE 508 5.495 -4.779 -0.356 293 HD2 PHE 508 2HD PHE 508 8.147 -1.722 -1.674 294 HE1 PHE 508 1HE PHE 508 5.385 -3.729 1.867 295 HE2 PHE 508 2HE PHE 508 8.042 -0.668 0.547 296 HZ PHE 508 HZ PHE 508 6.661 -1.673 2.321 297 H TRP 509 H TRP 509 3.533 -2.694 -3.359 298 HA TRP 509 HA TRP 509 4.442 -1.613 -5.946 299 HB2 TRP 509 1HB TRP 509 1.596 -1.740 -4.932 300 HB3 TRP 509 2HB TRP 509 2.127 -1.256 -6.540 301 HD1 TRP 509 HD TRP 509 4.275 -3.903 -6.471 302 HE1 TRP 509 1HE TRP 509 3.254 -6.159 -7.172 303 HE3 TRP 509 3HE TRP 509 -0.673 -2.787 -5.838 304 HZ2 TRP 509 2HZ TRP 509 0.691 -7.313 -7.424 305 HZ3 TRP 509 3HZ TRP 509 -2.347 -4.522 -6.331 306 HH2 TRP 509 HH TRP 509 -1.676 -6.737 -7.109 307 H GLU 510 H GLU 510 4.291 0.603 -6.316 308 HA GLU 510 HA GLU 510 4.237 2.217 -3.881 309 HB2 GLU 510 1HB GLU 510 6.076 3.024 -4.894 310 HB3 GLU 510 2HB GLU 510 5.609 2.364 -6.456 311 HG2 GLU 510 1HG GLU 510 5.773 4.751 -6.612 312 HG3 GLU 510 2HG GLU 510 4.085 4.270 -6.778 313 H GLY 511 H GLY 511 2.669 3.636 -3.415 314 HA2 GLY 511 1HA GLY 511 1.024 4.831 -5.449 315 HA3 GLY 511 2HA GLY 511 0.173 3.612 -4.513 316 H THR 512 H THR 512 -1.227 5.384 -3.876 317 HA THR 512 HA THR 512 -0.102 6.855 -1.590 318 HB THR 512 HB THR 512 -2.019 7.974 -3.645 319 HG1 THR 512 1HG THR 512 -0.230 9.511 -3.857 320 HG21 THR 512 1HG2 THR 512 -1.924 10.043 -2.332 321 HG22 THR 512 2HG2 THR 512 -0.941 9.228 -1.116 322 HG23 THR 512 3HG2 THR 512 -2.607 8.718 -1.390 323 H VAL 513 H VAL 513 -1.367 6.965 0.211 324 HA VAL 513 HA VAL 513 -4.154 6.144 0.090 325 HB VAL 513 HB VAL 513 -2.676 4.068 0.409 326 HG11 VAL 513 1HG1 VAL 513 -1.322 5.435 2.196 327 HG12 VAL 513 2HG1 VAL 513 -2.572 4.832 3.286 328 HG13 VAL 513 3HG1 VAL 513 -1.568 3.699 2.381 329 HG21 VAL 513 1HG2 VAL 513 -4.229 3.354 2.414 330 HG22 VAL 513 2HG2 VAL 513 -5.019 4.889 2.051 331 HG23 VAL 513 3HG2 VAL 513 -4.892 3.647 0.806 332 H LYS 514 H LYS 514 -5.374 7.140 1.594 333 HA LYS 514 HA LYS 514 -5.944 8.664 3.187 334 HB2 LYS 514 1HB LYS 514 -3.607 7.443 4.666 335 HB3 LYS 514 2HB LYS 514 -4.932 8.349 5.385 336 HG2 LYS 514 1HG LYS 514 -5.192 5.715 3.949 337 HG3 LYS 514 2HG LYS 514 -5.185 5.939 5.700 338 HD2 LYS 514 1HD LYS 514 -7.119 7.682 4.482 339 HD3 LYS 514 2HD LYS 514 -7.394 6.015 3.971 340 HE2 LYS 514 1HE LYS 514 -8.614 6.056 5.908 341 HE3 LYS 514 2HE LYS 514 -7.053 5.524 6.532 342 HZ1 LYS 514 1HZ LYS 514 -8.492 7.685 7.388 343 HZ2 LYS 514 2HZ LYS 514 -7.258 8.369 6.456 344 HZ3 LYS 514 3HZ LYS 514 -6.874 7.354 7.753 345 H GLY 515 H GLY 515 -3.896 9.416 1.163 346 HA2 GLY 515 1HA GLY 515 -3.074 11.595 0.778 347 HA3 GLY 515 2HA GLY 515 -3.006 11.852 2.516 348 H ARG 516 H ARG 516 -1.635 9.224 2.880 349 HA ARG 516 HA ARG 516 1.041 10.215 2.637 350 HB2 ARG 516 1HB ARG 516 0.072 7.474 3.470 351 HB3 ARG 516 2HB ARG 516 1.695 8.111 3.704 352 HG2 ARG 516 1HG ARG 516 0.991 8.718 5.723 353 HG3 ARG 516 2HG ARG 516 0.125 10.016 4.897 354 HD2 ARG 516 1HD ARG 516 -1.853 8.588 4.729 355 HD3 ARG 516 2HD ARG 516 -0.986 7.288 5.546 356 HE ARG 516 HE ARG 516 -1.087 9.736 7.048 357 HH11 ARG 516 1HH1 ARG 516 -3.655 6.750 7.765 358 HH12 ARG 516 2HH1 ARG 516 -2.740 6.767 6.294 359 HH21 ARG 516 1HH2 ARG 516 -3.399 8.435 9.296 360 HH22 ARG 516 2HH2 ARG 516 -2.288 9.727 8.988 361 H THR 517 H THR 517 2.719 9.418 1.377 362 HA THR 517 HA THR 517 1.893 7.732 -0.898 363 HB THR 517 HB THR 517 3.971 9.930 -0.916 364 HG1 THR 517 1HG THR 517 2.130 11.032 -1.068 365 HG21 THR 517 1HG2 THR 517 4.758 8.695 -2.635 366 HG22 THR 517 2HG2 THR 517 3.395 9.393 -3.512 367 HG23 THR 517 3HG2 THR 517 3.257 7.784 -2.802 368 H GLY 518 H GLY 518 3.331 6.171 -1.650 369 HA2 GLY 518 1HA GLY 518 5.917 5.680 -1.238 370 HA3 GLY 518 2HA GLY 518 5.258 5.273 0.340 371 H TRP 519 H TRP 519 6.239 3.155 -0.263 372 HA TRP 519 HA TRP 519 4.632 1.613 -2.161 373 HB2 TRP 519 1HB TRP 519 7.139 0.818 -0.663 374 HB3 TRP 519 2HB TRP 519 6.351 -0.113 -1.934 375 HD1 TRP 519 HD TRP 519 8.087 3.333 -1.519 376 HE1 TRP 519 1HE TRP 519 9.250 3.904 -3.743 377 HE3 TRP 519 3HE TRP 519 6.551 -0.678 -4.292 378 HZ2 TRP 519 2HZ TRP 519 9.487 2.800 -6.331 379 HZ3 TRP 519 3HZ TRP 519 7.290 -0.846 -6.634 380 HH2 TRP 519 HH TRP 519 8.726 0.859 -7.630 381 H PHE 520 H PHE 520 3.729 -0.433 -1.569 382 HA PHE 520 HA PHE 520 3.484 -1.043 1.260 383 HB2 PHE 520 1HB PHE 520 0.967 -1.141 1.067 384 HB3 PHE 520 2HB PHE 520 1.656 0.479 1.057 385 HD1 PHE 520 1HD PHE 520 1.497 1.885 -0.865 386 HD2 PHE 520 2HD PHE 520 0.069 -2.123 -0.990 387 HE1 PHE 520 1HE PHE 520 0.333 2.369 -2.978 388 HE2 PHE 520 2HE PHE 520 -1.096 -1.646 -3.103 389 HZ PHE 520 HZ PHE 520 -0.964 0.603 -4.101 390 HA PRO 521 HA PRO 521 3.334 -5.194 -0.152 391 HB2 PRO 521 1HB PRO 521 1.783 -6.365 1.743 392 HB3 PRO 521 2HB PRO 521 3.439 -5.832 2.053 393 HG2 PRO 521 1HG PRO 521 0.857 -4.467 2.707 394 HG3 PRO 521 2HG PRO 521 2.315 -4.639 3.702 395 HD2 PRO 521 1HD PRO 521 1.735 -2.367 2.348 396 HD3 PRO 521 2HD PRO 521 3.401 -2.910 2.631 397 H ALA 522 H ALA 522 2.269 -5.706 -1.962 398 HA ALA 522 HA ALA 522 -0.347 -5.006 -2.613 399 HB1 ALA 522 1HB ALA 522 -0.153 -6.512 -4.473 400 HB2 ALA 522 2HB ALA 522 1.401 -5.713 -4.227 401 HB3 ALA 522 3HB ALA 522 1.171 -7.377 -3.690 402 H ASP 523 H ASP 523 0.869 -7.666 -0.748 403 HA ASP 523 HA ASP 523 -1.394 -9.364 -0.948 404 HB2 ASP 523 1HB ASP 523 0.880 -10.073 -0.166 405 HB3 ASP 523 2HB ASP 523 0.583 -9.201 1.336 406 H CYS 524 H CYS 524 -1.006 -6.373 0.503 407 HA CYS 524 HA CYS 524 -3.199 -6.888 2.400 408 HB2 CYS 524 1HB CYS 524 -1.153 -4.660 2.453 409 HB3 CYS 524 2HB CYS 524 -2.422 -4.922 3.643 410 HG CYS 524 HG CYS 524 -0.870 -7.722 3.557 411 H VAL 525 H VAL 525 -2.971 -6.011 -0.596 412 HA VAL 525 HA VAL 525 -5.077 -3.980 -0.376 413 HB VAL 525 HB VAL 525 -4.157 -2.584 -2.059 414 HG11 VAL 525 1HG1 VAL 525 -1.654 -3.141 -0.561 415 HG12 VAL 525 2HG1 VAL 525 -2.472 -1.608 -0.870 416 HG13 VAL 525 3HG1 VAL 525 -3.093 -2.708 0.361 417 HG21 VAL 525 1HG2 VAL 525 -2.630 -4.960 -2.726 418 HG22 VAL 525 2HG2 VAL 525 -3.059 -3.575 -3.730 419 HG23 VAL 525 3HG2 VAL 525 -1.631 -3.507 -2.698 420 H GLU 526 H GLU 526 -6.473 -3.853 -2.222 421 HA GLU 526 HA GLU 526 -6.217 -5.885 -4.276 422 HB2 GLU 526 1HB GLU 526 -8.066 -6.113 -2.002 423 HB3 GLU 526 2HB GLU 526 -8.827 -6.314 -3.574 424 HG2 GLU 526 1HG GLU 526 -6.325 -7.810 -2.965 425 HG3 GLU 526 2HG GLU 526 -7.856 -8.364 -2.290 426 H GLU 527 H GLU 527 -7.248 -5.350 -6.151 427 HA GLU 527 HA GLU 527 -7.856 -2.724 -6.717 428 HB2 GLU 527 1HB GLU 527 -9.028 -5.133 -8.117 429 HB3 GLU 527 2HB GLU 527 -8.850 -3.518 -8.786 430 HG2 GLU 527 1HG GLU 527 -6.666 -3.799 -9.245 431 HG3 GLU 527 2HG GLU 527 -6.376 -4.768 -7.802 432 H VAL 528 H VAL 528 -9.919 -1.742 -7.349 433 HA VAL 528 HA VAL 528 -11.749 -1.537 -5.350 434 HB VAL 528 HB VAL 528 -13.410 -0.809 -7.134 435 HG11 VAL 528 1HG1 VAL 528 -12.512 1.168 -6.680 436 HG12 VAL 528 2HG1 VAL 528 -11.003 0.385 -6.205 437 HG13 VAL 528 3HG1 VAL 528 -11.256 0.871 -7.883 438 HG21 VAL 528 1HG2 VAL 528 -12.700 -2.133 -8.988 439 HG22 VAL 528 2HG2 VAL 528 -12.392 -0.445 -9.393 440 HG23 VAL 528 3HG2 VAL 528 -11.061 -1.488 -8.894 441 H GLN 529 H GLN 529 -12.934 -3.041 -4.384 442 HA GLN 529 HA GLN 529 -13.965 -5.288 -5.960 443 HB2 GLN 529 1HB GLN 529 -13.533 -4.891 -3.006 444 HB3 GLN 529 2HB GLN 529 -14.478 -6.232 -3.640 445 HG2 GLN 529 1HG GLN 529 -11.574 -5.658 -4.172 446 HG3 GLN 529 2HG GLN 529 -12.238 -6.967 -3.195 447 HE21 GLN 529 1HE2 GLN 529 -12.028 -7.257 -7.231 448 HE22 GLN 529 2HE2 GLN 529 -11.653 -5.790 -6.398 449 H MET 530 H MET 530 -16.132 -5.823 -6.006 450 HA MET 530 HA MET 530 -17.955 -3.722 -5.043 451 HB2 MET 530 1HB MET 530 -17.732 -4.210 -7.557 452 HB3 MET 530 2HB MET 530 -18.596 -5.703 -7.217 453 HG2 MET 530 1HG MET 530 -20.406 -4.277 -6.193 454 HG3 MET 530 2HG MET 530 -19.572 -2.885 -6.877 455 HE1 MET 530 1HE MET 530 -22.438 -4.205 -7.057 456 HE2 MET 530 2HE MET 530 -22.548 -2.896 -8.233 457 HE3 MET 530 3HE MET 530 -22.947 -4.547 -8.711 Start of MODEL 6 1 H1 MET 470 H MET 470 -8.251 2.229 -21.131 2 HA MET 470 HA MET 470 -9.075 4.319 -20.780 3 HB2 MET 470 1HB MET 470 -11.176 4.924 -21.824 4 HB3 MET 470 2HB MET 470 -10.272 3.864 -22.898 5 HG2 MET 470 1HG MET 470 -11.679 2.030 -22.433 6 HG3 MET 470 2HG MET 470 -12.422 2.854 -21.064 7 HE1 MET 470 1HE MET 470 -15.195 3.932 -21.728 8 HE2 MET 470 2HE MET 470 -15.495 2.710 -22.964 9 HE3 MET 470 3HE MET 470 -14.510 2.317 -21.554 10 H VAL 471 H VAL 471 -9.256 2.351 -18.684 11 HA VAL 471 HA VAL 471 -11.635 2.232 -17.302 12 HB VAL 471 HB VAL 471 -10.155 2.232 -15.202 13 HG11 VAL 471 1HG1 VAL 471 -9.489 -0.011 -15.580 14 HG12 VAL 471 2HG1 VAL 471 -10.964 0.235 -16.518 15 HG13 VAL 471 3HG1 VAL 471 -9.395 0.237 -17.323 16 HG21 VAL 471 1HG2 VAL 471 -7.870 2.345 -15.372 17 HG22 VAL 471 2HG2 VAL 471 -7.862 1.877 -17.072 18 HG23 VAL 471 3HG2 VAL 471 -8.342 3.510 -16.610 19 HA PRO 472 HA PRO 472 -12.606 6.253 -15.834 20 HB2 PRO 472 1HB PRO 472 -13.662 5.702 -13.394 21 HB3 PRO 472 2HB PRO 472 -14.498 5.335 -14.907 22 HG2 PRO 472 1HG PRO 472 -12.908 3.521 -13.134 23 HG3 PRO 472 2HG PRO 472 -14.456 3.219 -13.944 24 HD2 PRO 472 1HD PRO 472 -12.103 2.292 -14.909 25 HD3 PRO 472 2HD PRO 472 -13.452 2.754 -15.966 26 H GLY 473 H GLY 473 -11.081 4.247 -13.303 27 HA2 GLY 473 1HA GLY 473 -8.922 6.031 -12.911 28 HA3 GLY 473 2HA GLY 473 -10.154 6.326 -11.692 29 H ARG 474 H ARG 474 -7.432 4.550 -12.455 30 HA ARG 474 HA ARG 474 -7.850 2.058 -11.313 31 HB2 ARG 474 1HB ARG 474 -5.612 3.619 -12.162 32 HB3 ARG 474 2HB ARG 474 -5.236 2.914 -10.595 33 HG2 ARG 474 1HG ARG 474 -6.091 1.434 -13.073 34 HG3 ARG 474 2HG ARG 474 -4.481 1.452 -12.350 35 HD2 ARG 474 1HD ARG 474 -5.579 0.510 -10.261 36 HD3 ARG 474 2HD ARG 474 -7.002 0.226 -11.263 37 HE ARG 474 HE ARG 474 -5.947 -1.596 -12.131 38 HH11 ARG 474 1HH1 ARG 474 -2.228 -0.550 -11.081 39 HH12 ARG 474 2HH1 ARG 474 -3.544 0.540 -10.795 40 HH21 ARG 474 1HH2 ARG 474 -2.615 -2.584 -12.059 41 HH22 ARG 474 2HH2 ARG 474 -4.223 -3.039 -12.513 42 H LYS 475 H LYS 475 -8.920 1.868 -9.426 43 HA LYS 475 HA LYS 475 -7.849 3.332 -7.102 44 HB2 LYS 475 1HB LYS 475 -10.088 4.066 -7.483 45 HB3 LYS 475 2HB LYS 475 -10.658 2.418 -7.713 46 HG2 LYS 475 1HG LYS 475 -11.372 3.198 -5.566 47 HG3 LYS 475 2HG LYS 475 -10.142 1.952 -5.339 48 HD2 LYS 475 1HD LYS 475 -9.394 3.533 -3.859 49 HD3 LYS 475 2HD LYS 475 -8.524 4.034 -5.311 50 HE2 LYS 475 1HE LYS 475 -9.470 5.988 -4.320 51 HE3 LYS 475 2HE LYS 475 -10.390 5.628 -5.780 52 HZ1 LYS 475 1HZ LYS 475 -12.208 5.626 -4.543 53 HZ2 LYS 475 2HZ LYS 475 -11.312 5.848 -3.126 54 HZ3 LYS 475 3HZ LYS 475 -11.628 4.285 -3.690 55 H PHE 476 H PHE 476 -7.643 2.217 -5.133 56 HA PHE 476 HA PHE 476 -7.957 -0.698 -5.243 57 HB2 PHE 476 1HB PHE 476 -5.447 0.841 -4.851 58 HB3 PHE 476 2HB PHE 476 -5.683 -0.570 -3.823 59 HD1 PHE 476 1HD PHE 476 -5.449 0.568 -7.326 60 HD2 PHE 476 2HD PHE 476 -5.423 -2.755 -4.667 61 HE1 PHE 476 1HE PHE 476 -4.678 -0.886 -9.155 62 HE2 PHE 476 2HE PHE 476 -4.651 -4.214 -6.490 63 HZ PHE 476 HZ PHE 476 -4.277 -3.279 -8.738 64 H ILE 477 H ILE 477 -7.856 -1.717 -3.089 65 HA ILE 477 HA ILE 477 -8.507 0.112 -0.888 66 HB ILE 477 HB ILE 477 -10.615 -0.772 -1.939 67 HG12 ILE 477 1HG1 ILE 477 -11.379 -1.783 0.417 68 HG13 ILE 477 2HG1 ILE 477 -9.830 -1.112 0.913 69 HG21 ILE 477 1HG2 ILE 477 -11.066 -2.968 -2.145 70 HG22 ILE 477 2HG2 ILE 477 -9.312 -3.131 -2.093 71 HG23 ILE 477 3HG2 ILE 477 -10.265 -3.384 -0.631 72 HD11 ILE 477 1HD1 ILE 477 -10.722 1.024 -0.310 73 HD12 ILE 477 2HD1 ILE 477 -12.289 0.271 -0.011 74 HD13 ILE 477 3HD1 ILE 477 -11.219 0.644 1.339 75 H ALA 478 H ALA 478 -7.686 -0.465 1.049 76 HA ALA 478 HA ALA 478 -5.893 -2.737 1.123 77 HB1 ALA 478 1HB ALA 478 -4.790 -1.139 2.247 78 HB2 ALA 478 2HB ALA 478 -6.267 -0.273 2.670 79 HB3 ALA 478 3HB ALA 478 -5.764 -1.674 3.617 80 H VAL 479 H VAL 479 -6.184 -4.602 2.212 81 HA VAL 479 HA VAL 479 -8.766 -4.964 3.574 82 HB VAL 479 HB VAL 479 -8.142 -7.459 3.292 83 HG11 VAL 479 1HG1 VAL 479 -9.608 -5.669 1.772 84 HG12 VAL 479 2HG1 VAL 479 -8.625 -6.533 0.589 85 HG13 VAL 479 3HG1 VAL 479 -9.682 -7.428 1.682 86 HG21 VAL 479 1HG2 VAL 479 -6.575 -6.560 0.929 87 HG22 VAL 479 2HG2 VAL 479 -5.769 -6.621 2.496 88 HG23 VAL 479 3HG2 VAL 479 -6.501 -8.079 1.823 89 H LYS 480 H LYS 480 -5.297 -5.416 3.906 90 HA LYS 480 HA LYS 480 -5.697 -6.242 6.703 91 HB2 LYS 480 1HB LYS 480 -3.067 -6.461 5.286 92 HB3 LYS 480 2HB LYS 480 -3.687 -7.413 6.629 93 HG2 LYS 480 1HG LYS 480 -4.549 -7.577 3.750 94 HG3 LYS 480 2HG LYS 480 -3.614 -8.772 4.652 95 HD2 LYS 480 1HD LYS 480 -6.443 -7.929 5.282 96 HD3 LYS 480 2HD LYS 480 -5.985 -9.406 4.431 97 HE2 LYS 480 1HE LYS 480 -4.508 -9.192 6.880 98 HE3 LYS 480 2HE LYS 480 -6.230 -9.010 7.207 99 HZ1 LYS 480 1HZ LYS 480 -6.541 -11.166 6.883 100 HZ2 LYS 480 2HZ LYS 480 -4.863 -11.363 6.792 101 HZ3 LYS 480 3HZ LYS 480 -5.764 -11.131 5.379 102 H ALA 481 H ALA 481 -3.413 -5.624 7.901 103 HA ALA 481 HA ALA 481 -3.238 -2.695 7.628 104 HB1 ALA 481 1HB ALA 481 -2.616 -2.663 10.010 105 HB2 ALA 481 2HB ALA 481 -4.210 -3.370 9.740 106 HB3 ALA 481 3HB ALA 481 -2.826 -4.414 10.072 107 H HIS 482 H HIS 482 -1.177 -1.695 8.067 108 HA HIS 482 HA HIS 482 1.207 -3.260 8.253 109 HB2 HIS 482 1HB HIS 482 0.590 -3.593 5.859 110 HB3 HIS 482 2HB HIS 482 0.708 -1.852 5.624 111 HD1 HIS 482 1HD HIS 482 2.866 -4.836 6.465 112 HD2 HIS 482 2HD HIS 482 3.242 -0.906 5.172 113 HE1 HIS 482 1HE HIS 482 5.289 -4.560 5.849 114 H SER 483 H SER 483 3.100 -1.975 8.490 115 HA SER 483 HA SER 483 2.562 0.896 8.877 116 HB2 SER 483 1HB SER 483 4.703 -0.037 10.569 117 HB3 SER 483 2HB SER 483 3.197 0.760 11.022 118 HG SER 483 HG SER 483 3.654 -2.011 10.647 119 HA PRO 484 HA PRO 484 6.028 1.756 6.325 120 HB2 PRO 484 1HB PRO 484 6.942 4.054 7.444 121 HB3 PRO 484 2HB PRO 484 5.451 3.973 6.498 122 HG2 PRO 484 1HG PRO 484 5.813 3.971 9.470 123 HG3 PRO 484 2HG PRO 484 4.622 4.845 8.489 124 HD2 PRO 484 1HD PRO 484 4.024 2.559 9.809 125 HD3 PRO 484 2HD PRO 484 3.261 2.999 8.267 126 H GLN 485 H GLN 485 7.690 0.353 6.497 127 HA GLN 485 HA GLN 485 9.107 -0.316 8.788 128 HB2 GLN 485 1HB GLN 485 9.942 -0.385 5.888 129 HB3 GLN 485 2HB GLN 485 10.898 -1.086 7.187 130 HG2 GLN 485 1HG GLN 485 8.195 -1.927 6.202 131 HG3 GLN 485 2HG GLN 485 9.688 -2.862 6.253 132 HE21 GLN 485 1HE2 GLN 485 7.289 -2.555 9.518 133 HE22 GLN 485 2HE2 GLN 485 7.054 -1.559 8.126 134 H GLY 486 H GLY 486 9.396 2.452 6.728 135 HA2 GLY 486 1HA GLY 486 10.781 4.060 8.439 136 HA3 GLY 486 2HA GLY 486 12.042 3.181 7.587 137 H GLU 487 H GLU 487 12.123 3.372 5.249 138 HA GLU 487 HA GLU 487 10.938 5.897 4.296 139 HB2 GLU 487 1HB GLU 487 13.711 4.994 4.349 140 HB3 GLU 487 2HB GLU 487 13.195 5.480 2.741 141 HG2 GLU 487 1HG GLU 487 12.226 7.482 4.383 142 HG3 GLU 487 2HG GLU 487 13.806 7.095 5.062 143 H GLY 488 H GLY 488 10.002 5.915 2.304 144 HA2 GLY 488 1HA GLY 488 9.244 5.139 0.267 145 HA3 GLY 488 2HA GLY 488 10.443 3.857 0.362 146 H GLU 489 H GLU 489 8.075 4.404 2.876 147 HA GLU 489 HA GLU 489 6.374 2.258 1.890 148 HB2 GLU 489 1HB GLU 489 7.750 2.109 4.579 149 HB3 GLU 489 2HB GLU 489 6.524 0.993 3.994 150 HG2 GLU 489 1HG GLU 489 8.202 0.672 2.010 151 HG3 GLU 489 2HG GLU 489 9.371 1.279 3.183 152 H ILE 490 H ILE 490 4.289 2.350 2.645 153 HA ILE 490 HA ILE 490 3.679 4.539 4.523 154 HB ILE 490 HB ILE 490 1.438 4.627 3.249 155 HG12 ILE 490 1HG1 ILE 490 3.199 3.335 1.154 156 HG13 ILE 490 2HG1 ILE 490 1.795 2.595 1.915 157 HG21 ILE 490 1HG2 ILE 490 3.351 6.309 3.257 158 HG22 ILE 490 2HG2 ILE 490 3.813 5.618 1.702 159 HG23 ILE 490 3HG2 ILE 490 2.232 6.374 1.895 160 HD11 ILE 490 1HD1 ILE 490 0.559 3.408 0.276 161 HD12 ILE 490 2HD1 ILE 490 0.908 5.033 0.867 162 HD13 ILE 490 3HD1 ILE 490 1.933 4.305 -0.371 163 HA PRO 491 HA PRO 491 1.393 1.703 6.973 164 HB2 PRO 491 1HB PRO 491 -0.647 3.260 7.856 165 HB3 PRO 491 2HB PRO 491 1.015 3.438 8.431 166 HG2 PRO 491 1HG PRO 491 -0.454 5.027 6.363 167 HG3 PRO 491 2HG PRO 491 0.622 5.594 7.653 168 HD2 PRO 491 1HD PRO 491 1.435 5.340 5.083 169 HD3 PRO 491 2HD PRO 491 2.526 5.084 6.460 170 H LEU 492 H LEU 492 -0.887 0.860 7.355 171 HA LEU 492 HA LEU 492 -2.742 1.169 5.160 172 HB2 LEU 492 1HB LEU 492 -1.187 -1.360 5.608 173 HB3 LEU 492 2HB LEU 492 -2.756 -1.360 4.805 174 HG LEU 492 HG LEU 492 -0.245 0.012 3.851 175 HD11 LEU 492 1HD1 LEU 492 0.041 -2.213 3.317 176 HD12 LEU 492 2HD1 LEU 492 -0.775 -1.595 1.880 177 HD13 LEU 492 3HD1 LEU 492 -1.686 -2.493 3.094 178 HD21 LEU 492 1HD2 LEU 492 -1.565 1.372 2.695 179 HD22 LEU 492 2HD2 LEU 492 -3.010 0.549 3.282 180 HD23 LEU 492 3HD2 LEU 492 -2.188 -0.037 1.835 181 H HIS 493 H HIS 493 -4.812 0.499 5.662 182 HA HIS 493 HA HIS 493 -5.273 -0.962 8.137 183 HB2 HIS 493 1HB HIS 493 -5.685 1.919 7.835 184 HB3 HIS 493 2HB HIS 493 -7.131 1.067 8.374 185 HD1 HIS 493 1HD HIS 493 -7.234 0.430 10.789 186 HD2 HIS 493 2HD HIS 493 -3.410 1.542 9.606 187 HE1 HIS 493 1HE HIS 493 -5.877 0.525 12.904 188 H ARG 494 H ARG 494 -6.997 -2.273 7.999 189 HA ARG 494 HA ARG 494 -8.250 -2.845 5.610 190 HB2 ARG 494 1HB ARG 494 -9.908 -4.091 6.943 191 HB3 ARG 494 2HB ARG 494 -8.262 -4.393 7.482 192 HG2 ARG 494 1HG ARG 494 -8.670 -2.631 9.256 193 HG3 ARG 494 2HG ARG 494 -10.374 -2.725 8.808 194 HD2 ARG 494 1HD ARG 494 -8.744 -5.130 9.597 195 HD3 ARG 494 2HD ARG 494 -9.654 -4.163 10.758 196 HE ARG 494 HE ARG 494 -10.716 -6.036 8.844 197 HH11 ARG 494 1HH1 ARG 494 -13.099 -3.580 10.921 198 HH12 ARG 494 2HH1 ARG 494 -11.394 -3.275 10.854 199 HH21 ARG 494 1HH2 ARG 494 -13.987 -5.384 9.825 200 HH22 ARG 494 2HH2 ARG 494 -12.957 -6.446 8.926 201 H GLY 495 H GLY 495 -9.667 -1.769 4.413 202 HA2 GLY 495 1HA GLY 495 -11.875 -0.803 4.204 203 HA3 GLY 495 2HA GLY 495 -11.642 -0.056 5.777 204 H GLU 496 H GLU 496 -8.767 0.502 4.710 205 HA GLU 496 HA GLU 496 -9.337 3.181 3.884 206 HB2 GLU 496 1HB GLU 496 -6.753 1.631 4.079 207 HB3 GLU 496 2HB GLU 496 -6.838 3.329 3.631 208 HG2 GLU 496 1HG GLU 496 -7.156 2.043 6.258 209 HG3 GLU 496 2HG GLU 496 -6.478 3.614 5.832 210 H ALA 497 H ALA 497 -8.667 4.175 1.908 211 HA ALA 497 HA ALA 497 -8.877 2.348 -0.379 212 HB1 ALA 497 1HB ALA 497 -9.254 5.339 -0.325 213 HB2 ALA 497 2HB ALA 497 -9.608 4.250 -1.668 214 HB3 ALA 497 3HB ALA 497 -10.554 4.156 -0.182 215 H VAL 498 H VAL 498 -7.022 1.796 -1.301 216 HA VAL 498 HA VAL 498 -4.745 3.639 -1.174 217 HB VAL 498 HB VAL 498 -4.605 0.816 -2.192 218 HG11 VAL 498 1HG1 VAL 498 -2.290 1.004 -1.299 219 HG12 VAL 498 2HG1 VAL 498 -2.652 2.156 -2.587 220 HG13 VAL 498 3HG1 VAL 498 -2.624 2.691 -0.906 221 HG21 VAL 498 1HG2 VAL 498 -5.700 0.661 -0.039 222 HG22 VAL 498 2HG2 VAL 498 -4.034 0.100 0.099 223 HG23 VAL 498 3HG2 VAL 498 -4.477 1.702 0.689 224 H LYS 499 H LYS 499 -3.426 3.971 -3.066 225 HA LYS 499 HA LYS 499 -4.861 3.590 -5.608 226 HB2 LYS 499 1HB LYS 499 -4.700 6.006 -4.429 227 HB3 LYS 499 2HB LYS 499 -3.182 6.017 -5.318 228 HG2 LYS 499 1HG LYS 499 -4.572 6.958 -6.860 229 HG3 LYS 499 2HG LYS 499 -4.711 5.257 -7.310 230 HD2 LYS 499 1HD LYS 499 -6.922 6.024 -7.263 231 HD3 LYS 499 2HD LYS 499 -6.718 5.196 -5.717 232 HE2 LYS 499 1HE LYS 499 -7.840 7.229 -5.251 233 HE3 LYS 499 2HE LYS 499 -6.173 7.443 -4.716 234 HZ1 LYS 499 1HZ LYS 499 -6.698 8.242 -7.448 235 HZ2 LYS 499 2HZ LYS 499 -5.799 9.021 -6.245 236 HZ3 LYS 499 3HZ LYS 499 -7.483 9.174 -6.274 237 H VAL 500 H VAL 500 -3.616 1.952 -6.397 238 HA VAL 500 HA VAL 500 -0.792 1.836 -6.169 239 HB VAL 500 HB VAL 500 -2.632 0.419 -8.102 240 HG11 VAL 500 1HG1 VAL 500 0.292 0.372 -7.734 241 HG12 VAL 500 2HG1 VAL 500 -0.494 -1.201 -7.875 242 HG13 VAL 500 3HG1 VAL 500 -0.680 -0.002 -9.156 243 HG21 VAL 500 1HG2 VAL 500 -2.978 0.028 -5.637 244 HG22 VAL 500 2HG2 VAL 500 -2.609 -1.411 -6.589 245 HG23 VAL 500 3HG2 VAL 500 -1.356 -0.662 -5.599 246 H LEU 501 H LEU 501 0.796 2.582 -7.459 247 HA LEU 501 HA LEU 501 0.031 3.873 -9.991 248 HB2 LEU 501 1HB LEU 501 1.400 4.995 -7.652 249 HB3 LEU 501 2HB LEU 501 2.202 5.313 -9.189 250 HG LEU 501 HG LEU 501 -0.041 6.215 -9.992 251 HD11 LEU 501 1HD1 LEU 501 -1.676 5.587 -8.538 252 HD12 LEU 501 2HD1 LEU 501 -1.273 7.160 -7.850 253 HD13 LEU 501 3HD1 LEU 501 -0.621 5.689 -7.128 254 HD21 LEU 501 1HD2 LEU 501 0.852 8.219 -9.620 255 HD22 LEU 501 2HD2 LEU 501 2.094 7.397 -8.676 256 HD23 LEU 501 3HD2 LEU 501 0.668 8.057 -7.874 257 H SER 502 H SER 502 2.717 2.555 -8.076 258 HA SER 502 HA SER 502 3.952 1.663 -10.599 259 HB2 SER 502 1HB SER 502 5.129 3.047 -8.252 260 HB3 SER 502 2HB SER 502 6.088 1.748 -8.961 261 HG SER 502 HG SER 502 6.633 3.577 -10.056 262 H ILE 503 H ILE 503 5.350 -0.262 -10.360 263 HA ILE 503 HA ILE 503 4.420 -2.038 -8.201 264 HB ILE 503 HB ILE 503 4.933 -2.892 -11.051 265 HG12 ILE 503 1HG1 ILE 503 2.917 -1.491 -10.889 266 HG13 ILE 503 2HG1 ILE 503 2.504 -3.166 -11.235 267 HG21 ILE 503 1HG2 ILE 503 3.353 -4.730 -9.584 268 HG22 ILE 503 2HG2 ILE 503 4.971 -4.957 -10.246 269 HG23 ILE 503 3HG2 ILE 503 4.768 -4.333 -8.608 270 HD11 ILE 503 1HD1 ILE 503 1.733 -3.529 -9.043 271 HD12 ILE 503 2HD1 ILE 503 2.453 -2.028 -8.460 272 HD13 ILE 503 3HD1 ILE 503 1.065 -1.977 -9.546 273 H GLY 504 H GLY 504 5.938 -3.271 -7.210 274 HA2 GLY 504 1HA GLY 504 8.721 -2.767 -7.975 275 HA3 GLY 504 2HA GLY 504 8.170 -3.399 -6.430 276 H GLU 505 H GLU 505 8.284 -5.531 -6.087 277 HA GLU 505 HA GLU 505 9.082 -7.214 -8.356 278 HB2 GLU 505 1HB GLU 505 9.341 -7.752 -5.392 279 HB3 GLU 505 2HB GLU 505 9.972 -8.762 -6.686 280 HG2 GLU 505 1HG GLU 505 10.869 -5.993 -6.832 281 HG3 GLU 505 2HG GLU 505 11.356 -6.819 -5.354 282 H GLY 506 H GLY 506 6.292 -6.394 -7.549 283 HA2 GLY 506 1HA GLY 506 4.306 -7.568 -8.016 284 HA3 GLY 506 2HA GLY 506 5.155 -9.078 -7.724 285 H GLY 507 H GLY 507 6.233 -7.783 -5.167 286 HA2 GLY 507 1HA GLY 507 3.852 -8.426 -3.554 287 HA3 GLY 507 2HA GLY 507 5.518 -8.593 -3.015 288 H PHE 508 H PHE 508 5.817 -5.825 -4.479 289 HA PHE 508 HA PHE 508 4.601 -4.162 -2.393 290 HB2 PHE 508 1HB PHE 508 7.327 -4.838 -2.445 291 HB3 PHE 508 2HB PHE 508 7.241 -3.187 -3.052 292 HD1 PHE 508 1HD PHE 508 7.810 -1.703 -1.403 293 HD2 PHE 508 2HD PHE 508 5.365 -5.043 -0.413 294 HE1 PHE 508 1HE PHE 508 7.605 -0.866 0.901 295 HE2 PHE 508 2HE PHE 508 5.155 -4.210 1.892 296 HZ PHE 508 HZ PHE 508 6.275 -2.118 2.553 297 H TRP 509 H TRP 509 3.413 -2.683 -3.383 298 HA TRP 509 HA TRP 509 4.363 -1.605 -5.956 299 HB2 TRP 509 1HB TRP 509 1.498 -1.737 -4.996 300 HB3 TRP 509 2HB TRP 509 2.060 -1.251 -6.594 301 HD1 TRP 509 HD TRP 509 4.206 -3.872 -6.555 302 HE1 TRP 509 1HE TRP 509 3.202 -6.138 -7.252 303 HE3 TRP 509 3HE TRP 509 -0.748 -2.816 -5.852 304 HZ2 TRP 509 2HZ TRP 509 0.648 -7.320 -7.475 305 HZ3 TRP 509 3HZ TRP 509 -2.406 -4.570 -6.332 306 HH2 TRP 509 HH TRP 509 -1.721 -6.774 -7.126 307 H GLU 510 H GLU 510 4.339 0.596 -6.285 308 HA GLU 510 HA GLU 510 4.217 2.208 -3.865 309 HB2 GLU 510 1HB GLU 510 6.058 3.008 -4.881 310 HB3 GLU 510 2HB GLU 510 5.578 2.376 -6.450 311 HG2 GLU 510 1HG GLU 510 5.756 4.769 -6.558 312 HG3 GLU 510 2HG GLU 510 4.069 4.291 -6.741 313 H GLY 511 H GLY 511 2.629 3.594 -3.384 314 HA2 GLY 511 1HA GLY 511 0.976 4.785 -5.427 315 HA3 GLY 511 2HA GLY 511 0.137 3.583 -4.458 316 H THR 512 H THR 512 -1.265 5.319 -3.790 317 HA THR 512 HA THR 512 -0.109 6.833 -1.551 318 HB THR 512 HB THR 512 -2.002 7.941 -3.632 319 HG1 THR 512 1HG THR 512 0.243 7.971 -4.180 320 HG21 THR 512 1HG2 THR 512 -1.305 10.041 -2.038 321 HG22 THR 512 2HG2 THR 512 -1.461 8.738 -0.860 322 HG23 THR 512 3HG2 THR 512 -2.817 9.142 -1.911 323 H VAL 513 H VAL 513 -1.353 6.944 0.259 324 HA VAL 513 HA VAL 513 -4.155 6.177 0.162 325 HB VAL 513 HB VAL 513 -2.707 4.073 0.456 326 HG11 VAL 513 1HG1 VAL 513 -1.611 3.667 2.432 327 HG12 VAL 513 2HG1 VAL 513 -1.325 5.399 2.251 328 HG13 VAL 513 3HG1 VAL 513 -2.589 4.821 3.338 329 HG21 VAL 513 1HG2 VAL 513 -5.054 4.930 2.056 330 HG22 VAL 513 2HG2 VAL 513 -4.906 3.639 0.862 331 HG23 VAL 513 3HG2 VAL 513 -4.277 3.408 2.494 332 H LYS 514 H LYS 514 -5.339 7.185 1.687 333 HA LYS 514 HA LYS 514 -5.872 8.680 3.319 334 HB2 LYS 514 1HB LYS 514 -3.455 7.658 4.802 335 HB3 LYS 514 2HB LYS 514 -4.952 8.291 5.474 336 HG2 LYS 514 1HG LYS 514 -4.585 5.676 4.030 337 HG3 LYS 514 2HG LYS 514 -4.900 5.910 5.752 338 HD2 LYS 514 1HD LYS 514 -6.763 6.657 3.497 339 HD3 LYS 514 2HD LYS 514 -6.929 5.249 4.550 340 HE2 LYS 514 1HE LYS 514 -7.068 8.151 5.358 341 HE3 LYS 514 2HE LYS 514 -8.401 6.999 5.314 342 HZ1 LYS 514 1HZ LYS 514 -6.289 7.316 7.286 343 HZ2 LYS 514 2HZ LYS 514 -6.732 5.725 6.927 344 HZ3 LYS 514 3HZ LYS 514 -7.894 6.818 7.488 345 H GLY 515 H GLY 515 -3.833 9.403 1.233 346 HA2 GLY 515 1HA GLY 515 -3.038 11.582 0.792 347 HA3 GLY 515 2HA GLY 515 -2.977 11.885 2.522 348 H ARG 516 H ARG 516 -1.595 9.168 2.779 349 HA ARG 516 HA ARG 516 1.082 10.226 2.570 350 HB2 ARG 516 1HB ARG 516 0.096 7.526 3.512 351 HB3 ARG 516 2HB ARG 516 1.749 8.111 3.655 352 HG2 ARG 516 1HG ARG 516 1.049 8.666 5.722 353 HG3 ARG 516 2HG ARG 516 0.480 10.114 4.888 354 HD2 ARG 516 1HD ARG 516 -1.716 9.473 4.983 355 HD3 ARG 516 2HD ARG 516 -1.324 7.754 4.999 356 HE ARG 516 HE ARG 516 -1.380 7.839 7.273 357 HH11 ARG 516 1HH1 ARG 516 -0.814 11.785 7.635 358 HH12 ARG 516 2HH1 ARG 516 -0.769 11.047 6.069 359 HH21 ARG 516 1HH2 ARG 516 -1.197 10.505 9.496 360 HH22 ARG 516 2HH2 ARG 516 -1.443 8.798 9.341 361 H THR 517 H THR 517 2.731 9.479 1.272 362 HA THR 517 HA THR 517 1.908 7.713 -0.940 363 HB THR 517 HB THR 517 4.030 9.865 -1.033 364 HG1 THR 517 1HG THR 517 1.836 10.667 -0.869 365 HG21 THR 517 1HG2 THR 517 3.084 7.789 -2.920 366 HG22 THR 517 2HG2 THR 517 4.676 8.530 -2.754 367 HG23 THR 517 3HG2 THR 517 3.385 9.391 -3.592 368 H GLY 518 H GLY 518 3.351 6.145 -1.678 369 HA2 GLY 518 1HA GLY 518 5.939 5.663 -1.246 370 HA3 GLY 518 2HA GLY 518 5.267 5.264 0.327 371 H TRP 519 H TRP 519 6.262 3.145 -0.268 372 HA TRP 519 HA TRP 519 4.661 1.592 -2.160 373 HB2 TRP 519 1HB TRP 519 7.184 0.825 -0.676 374 HB3 TRP 519 2HB TRP 519 6.391 -0.127 -1.927 375 HD1 TRP 519 HD TRP 519 8.128 3.321 -1.562 376 HE1 TRP 519 1HE TRP 519 9.256 3.880 -3.807 377 HE3 TRP 519 3HE TRP 519 6.535 -0.697 -4.292 378 HZ2 TRP 519 2HZ TRP 519 9.444 2.766 -6.394 379 HZ3 TRP 519 3HZ TRP 519 7.233 -0.875 -6.645 380 HH2 TRP 519 HH TRP 519 8.657 0.822 -7.673 381 H PHE 520 H PHE 520 3.719 -0.418 -1.568 382 HA PHE 520 HA PHE 520 3.517 -1.053 1.262 383 HB2 PHE 520 1HB PHE 520 1.004 -1.117 1.121 384 HB3 PHE 520 2HB PHE 520 1.702 0.499 1.079 385 HD1 PHE 520 1HD PHE 520 0.139 -2.144 -0.959 386 HD2 PHE 520 2HD PHE 520 1.425 1.911 -0.801 387 HE1 PHE 520 1HE PHE 520 -1.069 -1.683 -3.052 388 HE2 PHE 520 2HE PHE 520 0.218 2.379 -2.894 389 HZ PHE 520 HZ PHE 520 -1.032 0.581 -4.021 390 HA PRO 521 HA PRO 521 3.313 -5.190 -0.184 391 HB2 PRO 521 1HB PRO 521 1.790 -6.366 1.732 392 HB3 PRO 521 2HB PRO 521 3.457 -5.848 2.013 393 HG2 PRO 521 1HG PRO 521 0.897 -4.468 2.729 394 HG3 PRO 521 2HG PRO 521 2.374 -4.660 3.693 395 HD2 PRO 521 1HD PRO 521 1.784 -2.373 2.369 396 HD3 PRO 521 2HD PRO 521 3.452 -2.930 2.616 397 H ALA 522 H ALA 522 2.208 -5.628 -1.995 398 HA ALA 522 HA ALA 522 -0.425 -4.924 -2.561 399 HB1 ALA 522 1HB ALA 522 1.242 -5.549 -4.260 400 HB2 ALA 522 2HB ALA 522 1.123 -7.229 -3.736 401 HB3 ALA 522 3HB ALA 522 -0.275 -6.429 -4.452 402 H ASP 523 H ASP 523 0.823 -7.561 -0.720 403 HA ASP 523 HA ASP 523 -1.387 -9.323 -0.944 404 HB2 ASP 523 1HB ASP 523 0.855 -10.019 -0.143 405 HB3 ASP 523 2HB ASP 523 0.600 -9.075 1.323 406 H CYS 524 H CYS 524 -1.107 -6.317 0.498 407 HA CYS 524 HA CYS 524 -3.326 -6.885 2.350 408 HB2 CYS 524 1HB CYS 524 -1.377 -4.576 2.478 409 HB3 CYS 524 2HB CYS 524 -2.611 -4.978 3.666 410 HG CYS 524 HG CYS 524 -0.704 -7.603 3.271 411 H VAL 525 H VAL 525 -3.007 -5.951 -0.636 412 HA VAL 525 HA VAL 525 -5.123 -3.919 -0.440 413 HB VAL 525 HB VAL 525 -4.192 -2.558 -2.121 414 HG11 VAL 525 1HG1 VAL 525 -2.967 -2.826 0.252 415 HG12 VAL 525 2HG1 VAL 525 -1.612 -3.171 -0.824 416 HG13 VAL 525 3HG1 VAL 525 -2.481 -1.642 -0.961 417 HG21 VAL 525 1HG2 VAL 525 -1.768 -3.523 -2.938 418 HG22 VAL 525 2HG2 VAL 525 -2.735 -4.994 -2.830 419 HG23 VAL 525 3HG2 VAL 525 -3.273 -3.656 -3.846 420 H GLU 526 H GLU 526 -6.457 -3.747 -2.375 421 HA GLU 526 HA GLU 526 -6.299 -5.901 -4.309 422 HB2 GLU 526 1HB GLU 526 -8.199 -5.899 -2.064 423 HB3 GLU 526 2HB GLU 526 -8.939 -6.140 -3.640 424 HG2 GLU 526 1HG GLU 526 -6.581 -7.751 -2.728 425 HG3 GLU 526 2HG GLU 526 -8.239 -8.208 -2.345 426 H GLU 527 H GLU 527 -6.938 -5.201 -6.244 427 HA GLU 527 HA GLU 527 -7.758 -2.542 -6.659 428 HB2 GLU 527 1HB GLU 527 -6.614 -4.305 -8.255 429 HB3 GLU 527 2HB GLU 527 -8.276 -4.638 -8.724 430 HG2 GLU 527 1HG GLU 527 -7.879 -1.819 -8.709 431 HG3 GLU 527 2HG GLU 527 -6.579 -2.577 -9.628 432 H VAL 528 H VAL 528 -9.727 -1.678 -7.368 433 HA VAL 528 HA VAL 528 -12.019 -2.461 -6.066 434 HB VAL 528 HB VAL 528 -13.270 -1.000 -7.527 435 HG11 VAL 528 1HG1 VAL 528 -11.259 -0.210 -5.939 436 HG12 VAL 528 2HG1 VAL 528 -10.707 0.468 -7.472 437 HG13 VAL 528 3HG1 VAL 528 -12.286 0.914 -6.828 438 HG21 VAL 528 1HG2 VAL 528 -11.957 0.065 -9.474 439 HG22 VAL 528 2HG2 VAL 528 -10.920 -1.356 -9.353 440 HG23 VAL 528 3HG2 VAL 528 -12.638 -1.545 -9.701 441 H GLN 529 H GLN 529 -10.770 -3.570 -9.133 442 HA GLN 529 HA GLN 529 -13.180 -5.192 -9.561 443 HB2 GLN 529 1HB GLN 529 -10.881 -4.609 -11.437 444 HB3 GLN 529 2HB GLN 529 -12.313 -5.548 -11.837 445 HG2 GLN 529 1HG GLN 529 -13.412 -3.226 -10.940 446 HG3 GLN 529 2HG GLN 529 -11.932 -2.653 -11.707 447 HE21 GLN 529 1HE2 GLN 529 -15.067 -3.464 -13.943 448 HE22 GLN 529 2HE2 GLN 529 -15.082 -3.166 -12.241 449 H MET 530 H MET 530 -12.969 -7.435 -10.100 450 HA MET 530 HA MET 530 -11.187 -8.829 -8.407 451 HB2 MET 530 1HB MET 530 -12.885 -9.852 -10.690 452 HB3 MET 530 2HB MET 530 -12.089 -10.863 -9.491 453 HG2 MET 530 1HG MET 530 -14.012 -8.733 -8.654 454 HG3 MET 530 2HG MET 530 -14.586 -10.304 -9.210 455 HE1 MET 530 1HE MET 530 -15.402 -11.554 -6.256 456 HE2 MET 530 2HE MET 530 -15.201 -9.942 -5.570 457 HE3 MET 530 3HE MET 530 -15.822 -10.132 -7.210 Start of MODEL 7 1 H1 MET 470 H MET 470 -19.144 9.753 -8.138 2 HA MET 470 HA MET 470 -17.429 7.934 -7.299 3 HB2 MET 470 1HB MET 470 -17.656 6.706 -9.445 4 HB3 MET 470 2HB MET 470 -19.184 7.337 -8.845 5 HG2 MET 470 1HG MET 470 -19.313 8.956 -10.491 6 HG3 MET 470 2HG MET 470 -17.583 8.896 -10.824 7 HE1 MET 470 1HE MET 470 -20.513 6.712 -10.390 8 HE2 MET 470 2HE MET 470 -21.085 6.665 -12.057 9 HE3 MET 470 3HE MET 470 -20.168 5.308 -11.401 10 H VAL 471 H VAL 471 -15.624 6.763 -8.597 11 HA VAL 471 HA VAL 471 -13.672 8.789 -9.481 12 HB VAL 471 HB VAL 471 -12.925 7.952 -7.376 13 HG11 VAL 471 1HG1 VAL 471 -14.083 5.481 -8.323 14 HG12 VAL 471 2HG1 VAL 471 -12.457 5.228 -7.687 15 HG13 VAL 471 3HG1 VAL 471 -13.691 5.982 -6.679 16 HG21 VAL 471 1HG2 VAL 471 -10.787 7.521 -7.976 17 HG22 VAL 471 2HG2 VAL 471 -11.242 6.219 -9.076 18 HG23 VAL 471 3HG2 VAL 471 -11.398 7.900 -9.587 19 HA PRO 472 HA PRO 472 -14.318 5.964 -13.054 20 HB2 PRO 472 1HB PRO 472 -13.989 7.910 -14.919 21 HB3 PRO 472 2HB PRO 472 -15.535 7.592 -14.125 22 HG2 PRO 472 1HG PRO 472 -13.494 9.698 -13.523 23 HG3 PRO 472 2HG PRO 472 -15.260 9.840 -13.593 24 HD2 PRO 472 1HD PRO 472 -13.909 9.625 -11.258 25 HD3 PRO 472 2HD PRO 472 -15.541 8.964 -11.480 26 H GLY 473 H GLY 473 -12.238 5.062 -12.328 27 HA2 GLY 473 1HA GLY 473 -10.238 5.298 -14.280 28 HA3 GLY 473 2HA GLY 473 -9.753 6.255 -12.888 29 H ARG 474 H ARG 474 -8.346 5.196 -11.676 30 HA ARG 474 HA ARG 474 -8.778 2.314 -11.234 31 HB2 ARG 474 1HB ARG 474 -6.742 3.073 -12.658 32 HB3 ARG 474 2HB ARG 474 -6.059 3.582 -11.119 33 HG2 ARG 474 1HG ARG 474 -5.438 1.510 -10.653 34 HG3 ARG 474 2HG ARG 474 -7.081 0.914 -10.896 35 HD2 ARG 474 1HD ARG 474 -6.630 0.158 -12.965 36 HD3 ARG 474 2HD ARG 474 -5.637 1.559 -13.366 37 HE ARG 474 HE ARG 474 -4.721 -0.975 -12.454 38 HH11 ARG 474 1HH1 ARG 474 -2.354 2.228 -12.053 39 HH12 ARG 474 2HH1 ARG 474 -4.052 2.438 -12.325 40 HH21 ARG 474 1HH2 ARG 474 -1.465 0.120 -11.923 41 HH22 ARG 474 2HH2 ARG 474 -2.487 -1.266 -12.096 42 H LYS 475 H LYS 475 -9.222 1.834 -9.198 43 HA LYS 475 HA LYS 475 -7.996 3.424 -7.054 44 HB2 LYS 475 1HB LYS 475 -10.180 4.325 -7.137 45 HB3 LYS 475 2HB LYS 475 -10.909 2.745 -7.389 46 HG2 LYS 475 1HG LYS 475 -10.706 2.149 -5.164 47 HG3 LYS 475 2HG LYS 475 -9.429 3.328 -4.860 48 HD2 LYS 475 1HD LYS 475 -12.260 4.102 -5.539 49 HD3 LYS 475 2HD LYS 475 -11.691 3.880 -3.884 50 HE2 LYS 475 1HE LYS 475 -10.075 5.637 -5.634 51 HE3 LYS 475 2HE LYS 475 -11.655 6.243 -5.140 52 HZ1 LYS 475 1HZ LYS 475 -11.046 6.311 -2.950 53 HZ2 LYS 475 2HZ LYS 475 -9.566 6.678 -3.680 54 HZ3 LYS 475 3HZ LYS 475 -9.862 5.113 -3.107 55 H PHE 476 H PHE 476 -7.672 2.321 -5.086 56 HA PHE 476 HA PHE 476 -8.097 -0.587 -5.180 57 HB2 PHE 476 1HB PHE 476 -5.563 0.916 -4.851 58 HB3 PHE 476 2HB PHE 476 -5.789 -0.472 -3.793 59 HD1 PHE 476 1HD PHE 476 -5.627 0.602 -7.320 60 HD2 PHE 476 2HD PHE 476 -5.576 -2.675 -4.605 61 HE1 PHE 476 1HE PHE 476 -4.917 -0.892 -9.142 62 HE2 PHE 476 2HE PHE 476 -4.866 -4.174 -6.421 63 HZ PHE 476 HZ PHE 476 -4.535 -3.283 -8.694 64 H ILE 477 H ILE 477 -7.950 -1.622 -3.031 65 HA ILE 477 HA ILE 477 -8.531 0.193 -0.801 66 HB ILE 477 HB ILE 477 -10.678 -0.631 -1.813 67 HG12 ILE 477 1HG1 ILE 477 -11.380 -1.692 0.561 68 HG13 ILE 477 2HG1 ILE 477 -9.829 -0.991 1.009 69 HG21 ILE 477 1HG2 ILE 477 -10.377 -3.269 -0.554 70 HG22 ILE 477 2HG2 ILE 477 -11.169 -2.811 -2.062 71 HG23 ILE 477 3HG2 ILE 477 -9.418 -3.022 -2.014 72 HD11 ILE 477 1HD1 ILE 477 -11.379 0.669 1.497 73 HD12 ILE 477 2HD1 ILE 477 -10.712 1.157 -0.061 74 HD13 ILE 477 3HD1 ILE 477 -12.294 0.382 0.016 75 H ALA 478 H ALA 478 -7.683 -0.422 1.112 76 HA ALA 478 HA ALA 478 -5.898 -2.689 1.129 77 HB1 ALA 478 1HB ALA 478 -6.294 -0.279 2.736 78 HB2 ALA 478 2HB ALA 478 -5.845 -1.702 3.676 79 HB3 ALA 478 3HB ALA 478 -4.814 -1.160 2.352 80 H VAL 479 H VAL 479 -6.187 -4.606 2.116 81 HA VAL 479 HA VAL 479 -8.762 -5.044 3.471 82 HB VAL 479 HB VAL 479 -8.263 -7.493 3.025 83 HG11 VAL 479 1HG1 VAL 479 -9.561 -5.623 1.540 84 HG12 VAL 479 2HG1 VAL 479 -8.430 -6.284 0.356 85 HG13 VAL 479 3HG1 VAL 479 -9.557 -7.352 1.194 86 HG21 VAL 479 1HG2 VAL 479 -6.571 -6.910 0.744 87 HG22 VAL 479 2HG2 VAL 479 -5.787 -6.501 2.270 88 HG23 VAL 479 3HG2 VAL 479 -6.390 -8.136 2.000 89 H LYS 480 H LYS 480 -5.353 -5.053 3.904 90 HA LYS 480 HA LYS 480 -5.711 -6.158 6.613 91 HB2 LYS 480 1HB LYS 480 -3.102 -6.377 5.149 92 HB3 LYS 480 2HB LYS 480 -3.700 -7.335 6.498 93 HG2 LYS 480 1HG LYS 480 -4.728 -7.452 3.669 94 HG3 LYS 480 2HG LYS 480 -3.643 -8.621 4.427 95 HD2 LYS 480 1HD LYS 480 -6.038 -8.149 6.004 96 HD3 LYS 480 2HD LYS 480 -6.408 -8.734 4.380 97 HE2 LYS 480 1HE LYS 480 -5.456 -10.761 4.750 98 HE3 LYS 480 2HE LYS 480 -4.219 -10.107 5.822 99 HZ1 LYS 480 1HZ LYS 480 -6.842 -11.151 6.448 100 HZ2 LYS 480 2HZ LYS 480 -6.447 -9.721 7.259 101 HZ3 LYS 480 3HZ LYS 480 -5.448 -11.078 7.404 102 H ALA 481 H ALA 481 -3.414 -5.591 7.809 103 HA ALA 481 HA ALA 481 -3.212 -2.660 7.604 104 HB1 ALA 481 1HB ALA 481 -4.163 -3.629 9.718 105 HB2 ALA 481 2HB ALA 481 -2.570 -4.322 10.030 106 HB3 ALA 481 3HB ALA 481 -2.767 -2.572 9.935 107 H HIS 482 H HIS 482 -1.105 -1.726 8.231 108 HA HIS 482 HA HIS 482 1.251 -3.292 8.295 109 HB2 HIS 482 1HB HIS 482 0.619 -3.590 5.897 110 HB3 HIS 482 2HB HIS 482 0.754 -1.847 5.685 111 HD1 HIS 482 1HD HIS 482 2.903 -4.840 6.560 112 HD2 HIS 482 2HD HIS 482 3.279 -0.948 5.154 113 HE1 HIS 482 1HE HIS 482 5.320 -4.589 5.917 114 H SER 483 H SER 483 3.157 -2.024 8.534 115 HA SER 483 HA SER 483 2.640 0.845 8.964 116 HB2 SER 483 1HB SER 483 4.789 -0.166 10.620 117 HB3 SER 483 2HB SER 483 3.325 0.696 11.095 118 HG SER 483 HG SER 483 2.231 -1.350 10.953 119 HA PRO 484 HA PRO 484 6.080 1.702 6.374 120 HB2 PRO 484 1HB PRO 484 6.979 4.017 7.472 121 HB3 PRO 484 2HB PRO 484 5.485 3.916 6.532 122 HG2 PRO 484 1HG PRO 484 5.856 3.938 9.503 123 HG3 PRO 484 2HG PRO 484 4.656 4.796 8.519 124 HD2 PRO 484 1HD PRO 484 4.080 2.514 9.858 125 HD3 PRO 484 2HD PRO 484 3.309 2.937 8.316 126 H GLN 485 H GLN 485 7.751 0.312 6.553 127 HA GLN 485 HA GLN 485 9.182 -0.325 8.845 128 HB2 GLN 485 1HB GLN 485 9.998 -0.422 5.942 129 HB3 GLN 485 2HB GLN 485 10.975 -1.092 7.240 130 HG2 GLN 485 1HG GLN 485 8.277 -1.981 6.287 131 HG3 GLN 485 2HG GLN 485 9.782 -2.898 6.348 132 HE21 GLN 485 1HE2 GLN 485 7.387 -2.567 9.615 133 HE22 GLN 485 2HE2 GLN 485 7.135 -1.600 8.206 134 H GLY 486 H GLY 486 9.441 2.425 6.757 135 HA2 GLY 486 1HA GLY 486 10.836 4.049 8.455 136 HA3 GLY 486 2HA GLY 486 12.088 3.182 7.578 137 H GLU 487 H GLU 487 12.131 3.382 5.241 138 HA GLU 487 HA GLU 487 10.897 5.892 4.313 139 HB2 GLU 487 1HB GLU 487 13.518 4.848 3.270 140 HB3 GLU 487 2HB GLU 487 12.852 6.469 3.133 141 HG2 GLU 487 1HG GLU 487 13.029 6.343 5.779 142 HG3 GLU 487 2HG GLU 487 14.302 5.194 5.373 143 H GLY 488 H GLY 488 10.025 5.938 2.270 144 HA2 GLY 488 1HA GLY 488 9.232 5.145 0.257 145 HA3 GLY 488 2HA GLY 488 10.432 3.864 0.351 146 H GLU 489 H GLU 489 8.073 4.416 2.871 147 HA GLU 489 HA GLU 489 6.377 2.258 1.898 148 HB2 GLU 489 1HB GLU 489 7.785 2.142 4.572 149 HB3 GLU 489 2HB GLU 489 6.520 1.040 4.048 150 HG2 GLU 489 1HG GLU 489 8.122 0.612 2.036 151 HG3 GLU 489 2HG GLU 489 9.345 1.256 3.130 152 H ILE 490 H ILE 490 4.298 2.285 2.733 153 HA ILE 490 HA ILE 490 3.672 4.507 4.563 154 HB ILE 490 HB ILE 490 1.436 4.591 3.291 155 HG12 ILE 490 1HG1 ILE 490 3.131 3.456 1.066 156 HG13 ILE 490 2HG1 ILE 490 2.006 2.473 1.998 157 HG21 ILE 490 1HG2 ILE 490 3.362 6.262 3.270 158 HG22 ILE 490 2HG2 ILE 490 3.801 5.556 1.716 159 HG23 ILE 490 3HG2 ILE 490 2.228 6.323 1.922 160 HD11 ILE 490 1HD1 ILE 490 1.507 4.328 -0.175 161 HD12 ILE 490 2HD1 ILE 490 0.505 3.021 0.457 162 HD13 ILE 490 3HD1 ILE 490 0.467 4.611 1.221 163 HA PRO 491 HA PRO 491 1.403 1.668 7.024 164 HB2 PRO 491 1HB PRO 491 -0.640 3.221 7.908 165 HB3 PRO 491 2HB PRO 491 1.022 3.405 8.478 166 HG2 PRO 491 1HG PRO 491 -0.455 4.986 6.410 167 HG3 PRO 491 2HG PRO 491 0.622 5.558 7.697 168 HD2 PRO 491 1HD PRO 491 1.432 5.301 5.126 169 HD3 PRO 491 2HD PRO 491 2.525 5.050 6.502 170 H LEU 492 H LEU 492 -0.790 0.711 7.361 171 HA LEU 492 HA LEU 492 -2.652 1.026 5.148 172 HB2 LEU 492 1HB LEU 492 -1.179 -1.524 5.751 173 HB3 LEU 492 2HB LEU 492 -2.693 -1.489 4.849 174 HG LEU 492 HG LEU 492 -0.075 -0.236 4.025 175 HD11 LEU 492 1HD1 LEU 492 -1.549 -2.713 3.259 176 HD12 LEU 492 2HD1 LEU 492 0.173 -2.473 3.553 177 HD13 LEU 492 3HD1 LEU 492 -0.559 -1.879 2.061 178 HD21 LEU 492 1HD2 LEU 492 -1.882 -0.268 1.889 179 HD22 LEU 492 2HD2 LEU 492 -1.266 1.140 2.753 180 HD23 LEU 492 3HD2 LEU 492 -2.776 0.383 3.263 181 H HIS 493 H HIS 493 -4.739 0.392 5.628 182 HA HIS 493 HA HIS 493 -5.270 -0.959 8.152 183 HB2 HIS 493 1HB HIS 493 -5.629 1.909 7.733 184 HB3 HIS 493 2HB HIS 493 -7.112 1.106 8.243 185 HD1 HIS 493 1HD HIS 493 -7.296 0.453 10.666 186 HD2 HIS 493 2HD HIS 493 -3.462 1.659 9.614 187 HE1 HIS 493 1HE HIS 493 -6.028 0.626 12.831 188 H ARG 494 H ARG 494 -7.065 -2.200 8.084 189 HA ARG 494 HA ARG 494 -8.258 -2.866 5.667 190 HB2 ARG 494 1HB ARG 494 -9.970 -4.031 7.040 191 HB3 ARG 494 2HB ARG 494 -8.321 -4.384 7.540 192 HG2 ARG 494 1HG ARG 494 -8.639 -2.555 9.287 193 HG3 ARG 494 2HG ARG 494 -10.359 -2.661 8.905 194 HD2 ARG 494 1HD ARG 494 -8.810 -5.136 9.551 195 HD3 ARG 494 2HD ARG 494 -9.370 -4.083 10.850 196 HE ARG 494 HE ARG 494 -11.584 -4.502 9.312 197 HH11 ARG 494 1HH1 ARG 494 -10.446 -7.820 11.240 198 HH12 ARG 494 2HH1 ARG 494 -9.298 -6.555 10.949 199 HH21 ARG 494 1HH2 ARG 494 -12.610 -7.595 10.523 200 HH22 ARG 494 2HH2 ARG 494 -13.103 -6.161 9.690 201 H GLY 495 H GLY 495 -9.613 -1.774 4.415 202 HA2 GLY 495 1HA GLY 495 -11.805 -0.803 4.119 203 HA3 GLY 495 2HA GLY 495 -11.635 -0.057 5.701 204 H GLU 496 H GLU 496 -8.707 0.456 4.668 205 HA GLU 496 HA GLU 496 -9.213 3.163 3.906 206 HB2 GLU 496 1HB GLU 496 -6.671 1.537 4.022 207 HB3 GLU 496 2HB GLU 496 -6.714 3.247 3.616 208 HG2 GLU 496 1HG GLU 496 -7.321 1.917 6.224 209 HG3 GLU 496 2HG GLU 496 -6.179 3.214 5.874 210 H ALA 497 H ALA 497 -8.625 4.191 1.944 211 HA ALA 497 HA ALA 497 -8.887 2.426 -0.384 212 HB1 ALA 497 1HB ALA 497 -10.326 4.597 0.201 213 HB2 ALA 497 2HB ALA 497 -9.024 5.363 -0.710 214 HB3 ALA 497 3HB ALA 497 -9.991 4.090 -1.456 215 H VAL 498 H VAL 498 -7.015 1.825 -1.254 216 HA VAL 498 HA VAL 498 -4.721 3.640 -1.162 217 HB VAL 498 HB VAL 498 -4.599 0.857 -2.266 218 HG11 VAL 498 1HG1 VAL 498 -2.631 2.228 -2.517 219 HG12 VAL 498 2HG1 VAL 498 -2.646 2.623 -0.797 220 HG13 VAL 498 3HG1 VAL 498 -2.316 0.972 -1.321 221 HG21 VAL 498 1HG2 VAL 498 -5.765 0.587 -0.170 222 HG22 VAL 498 2HG2 VAL 498 -4.101 0.036 0.015 223 HG23 VAL 498 3HG2 VAL 498 -4.586 1.605 0.656 224 H LYS 499 H LYS 499 -3.402 3.941 -3.076 225 HA LYS 499 HA LYS 499 -4.878 3.638 -5.602 226 HB2 LYS 499 1HB LYS 499 -4.744 6.024 -4.427 227 HB3 LYS 499 2HB LYS 499 -3.173 6.049 -5.216 228 HG2 LYS 499 1HG LYS 499 -4.551 7.071 -6.764 229 HG3 LYS 499 2HG LYS 499 -4.477 5.405 -7.345 230 HD2 LYS 499 1HD LYS 499 -6.745 5.916 -7.463 231 HD3 LYS 499 2HD LYS 499 -6.604 5.051 -5.932 232 HE2 LYS 499 1HE LYS 499 -7.943 6.910 -5.442 233 HE3 LYS 499 2HE LYS 499 -6.340 7.349 -4.856 234 HZ1 LYS 499 1HZ LYS 499 -6.068 8.901 -6.475 235 HZ2 LYS 499 2HZ LYS 499 -7.752 8.978 -6.329 236 HZ3 LYS 499 3HZ LYS 499 -7.051 8.098 -7.593 237 H VAL 500 H VAL 500 -3.665 2.007 -6.442 238 HA VAL 500 HA VAL 500 -0.859 1.792 -6.228 239 HB VAL 500 HB VAL 500 -2.734 0.576 -8.260 240 HG11 VAL 500 1HG1 VAL 500 0.168 0.519 -8.023 241 HG12 VAL 500 2HG1 VAL 500 -0.557 -1.089 -8.035 242 HG13 VAL 500 3HG1 VAL 500 -0.870 0.031 -9.362 243 HG21 VAL 500 1HG2 VAL 500 -3.129 -0.002 -5.864 244 HG22 VAL 500 2HG2 VAL 500 -2.707 -1.380 -6.880 245 HG23 VAL 500 3HG2 VAL 500 -1.498 -0.670 -5.809 246 H LEU 501 H LEU 501 0.776 2.553 -7.450 247 HA LEU 501 HA LEU 501 0.097 4.045 -9.894 248 HB2 LEU 501 1HB LEU 501 2.013 4.854 -7.714 249 HB3 LEU 501 2HB LEU 501 1.913 5.642 -9.287 250 HG LEU 501 HG LEU 501 -0.217 5.586 -7.154 251 HD11 LEU 501 1HD1 LEU 501 0.199 8.146 -7.516 252 HD12 LEU 501 2HD1 LEU 501 1.772 7.595 -8.091 253 HD13 LEU 501 3HD1 LEU 501 1.247 7.205 -6.454 254 HD21 LEU 501 1HD2 LEU 501 -1.226 5.447 -9.367 255 HD22 LEU 501 2HD2 LEU 501 -0.270 6.829 -9.902 256 HD23 LEU 501 3HD2 LEU 501 -1.497 7.037 -8.652 257 H SER 502 H SER 502 2.744 2.554 -8.045 258 HA SER 502 HA SER 502 3.926 1.708 -10.609 259 HB2 SER 502 1HB SER 502 5.164 3.053 -8.279 260 HB3 SER 502 2HB SER 502 6.090 1.729 -8.986 261 HG SER 502 HG SER 502 6.658 3.133 -10.431 262 H ILE 503 H ILE 503 5.377 -0.217 -10.370 263 HA ILE 503 HA ILE 503 4.411 -2.033 -8.262 264 HB ILE 503 HB ILE 503 4.908 -2.780 -11.147 265 HG12 ILE 503 1HG1 ILE 503 2.834 -1.494 -10.850 266 HG13 ILE 503 2HG1 ILE 503 2.490 -3.172 -11.253 267 HG21 ILE 503 1HG2 ILE 503 3.481 -4.773 -9.753 268 HG22 ILE 503 2HG2 ILE 503 5.108 -4.866 -10.423 269 HG23 ILE 503 3HG2 ILE 503 4.870 -4.338 -8.758 270 HD11 ILE 503 1HD1 ILE 503 1.025 -2.222 -9.498 271 HD12 ILE 503 2HD1 ILE 503 1.911 -3.659 -8.987 272 HD13 ILE 503 3HD1 ILE 503 2.442 -2.062 -8.460 273 H GLY 504 H GLY 504 5.935 -3.166 -7.207 274 HA2 GLY 504 1HA GLY 504 8.715 -2.654 -7.892 275 HA3 GLY 504 2HA GLY 504 8.125 -3.419 -6.424 276 H GLU 505 H GLU 505 8.301 -5.564 -6.248 277 HA GLU 505 HA GLU 505 8.793 -7.113 -8.705 278 HB2 GLU 505 1HB GLU 505 10.306 -7.056 -6.132 279 HB3 GLU 505 2HB GLU 505 10.182 -8.582 -6.997 280 HG2 GLU 505 1HG GLU 505 11.005 -7.246 -9.035 281 HG3 GLU 505 2HG GLU 505 11.501 -6.038 -7.849 282 H GLY 506 H GLY 506 6.319 -7.190 -8.249 283 HA2 GLY 506 1HA GLY 506 4.485 -8.422 -7.617 284 HA3 GLY 506 2HA GLY 506 5.594 -9.785 -7.640 285 H GLY 507 H GLY 507 4.509 -7.092 -5.588 286 HA2 GLY 507 1HA GLY 507 3.691 -8.390 -3.391 287 HA3 GLY 507 2HA GLY 507 5.437 -8.459 -3.201 288 H PHE 508 H PHE 508 5.996 -5.897 -4.345 289 HA PHE 508 HA PHE 508 4.774 -4.123 -2.336 290 HB2 PHE 508 1HB PHE 508 7.420 -4.924 -2.381 291 HB3 PHE 508 2HB PHE 508 7.464 -3.353 -3.174 292 HD1 PHE 508 1HD PHE 508 5.513 -4.734 -0.308 293 HD2 PHE 508 2HD PHE 508 8.183 -1.736 -1.720 294 HE1 PHE 508 1HE PHE 508 5.430 -3.629 1.890 295 HE2 PHE 508 2HE PHE 508 8.107 -0.627 0.475 296 HZ PHE 508 HZ PHE 508 6.729 -1.575 2.284 297 H TRP 509 H TRP 509 3.536 -2.696 -3.351 298 HA TRP 509 HA TRP 509 4.468 -1.613 -5.929 299 HB2 TRP 509 1HB TRP 509 1.615 -1.742 -4.934 300 HB3 TRP 509 2HB TRP 509 2.155 -1.246 -6.535 301 HD1 TRP 509 HD TRP 509 4.306 -3.899 -6.453 302 HE1 TRP 509 1HE TRP 509 3.290 -6.146 -7.186 303 HE3 TRP 509 3HE TRP 509 -0.650 -2.773 -5.891 304 HZ2 TRP 509 2HZ TRP 509 0.727 -7.292 -7.487 305 HZ3 TRP 509 3HZ TRP 509 -2.320 -4.499 -6.423 306 HH2 TRP 509 HH TRP 509 -1.643 -6.712 -7.205 307 H GLU 510 H GLU 510 4.257 0.611 -6.316 308 HA GLU 510 HA GLU 510 4.222 2.223 -3.875 309 HB2 GLU 510 1HB GLU 510 6.058 3.029 -4.895 310 HB3 GLU 510 2HB GLU 510 5.582 2.380 -6.459 311 HG2 GLU 510 1HG GLU 510 5.743 4.767 -6.599 312 HG3 GLU 510 2HG GLU 510 4.055 4.287 -6.758 313 H GLY 511 H GLY 511 2.654 3.644 -3.410 314 HA2 GLY 511 1HA GLY 511 0.994 4.820 -5.445 315 HA3 GLY 511 2HA GLY 511 0.153 3.609 -4.490 316 H THR 512 H THR 512 -1.258 5.325 -3.805 317 HA THR 512 HA THR 512 -0.135 6.799 -1.530 318 HB THR 512 HB THR 512 -1.963 7.998 -3.619 319 HG1 THR 512 1HG THR 512 -0.197 8.905 -4.368 320 HG21 THR 512 1HG2 THR 512 -0.867 9.232 -1.088 321 HG22 THR 512 2HG2 THR 512 -2.539 8.729 -1.338 322 HG23 THR 512 3HG2 THR 512 -1.860 10.041 -2.299 323 H VAL 513 H VAL 513 -1.473 6.996 0.225 324 HA VAL 513 HA VAL 513 -4.267 6.212 0.012 325 HB VAL 513 HB VAL 513 -2.819 4.130 0.443 326 HG11 VAL 513 1HG1 VAL 513 -2.845 4.999 3.298 327 HG12 VAL 513 2HG1 VAL 513 -1.843 3.785 2.501 328 HG13 VAL 513 3HG1 VAL 513 -1.521 5.501 2.248 329 HG21 VAL 513 1HG2 VAL 513 -4.960 3.556 0.813 330 HG22 VAL 513 2HG2 VAL 513 -4.510 3.642 2.516 331 HG23 VAL 513 3HG2 VAL 513 -5.296 5.018 1.741 332 H LYS 514 H LYS 514 -5.513 7.339 1.378 333 HA LYS 514 HA LYS 514 -6.108 8.939 2.887 334 HB2 LYS 514 1HB LYS 514 -3.975 7.780 4.671 335 HB3 LYS 514 2HB LYS 514 -5.502 8.514 5.139 336 HG2 LYS 514 1HG LYS 514 -5.094 5.847 3.810 337 HG3 LYS 514 2HG LYS 514 -5.675 6.156 5.447 338 HD2 LYS 514 1HD LYS 514 -7.085 6.919 2.889 339 HD3 LYS 514 2HD LYS 514 -7.516 5.577 3.951 340 HE2 LYS 514 1HE LYS 514 -8.848 6.982 5.045 341 HE3 LYS 514 2HE LYS 514 -7.399 7.806 5.619 342 HZ1 LYS 514 1HZ LYS 514 -8.428 8.501 2.967 343 HZ2 LYS 514 2HZ LYS 514 -7.629 9.468 4.100 344 HZ3 LYS 514 3HZ LYS 514 -9.261 9.084 4.320 345 H GLY 515 H GLY 515 -3.878 9.539 1.031 346 HA2 GLY 515 1HA GLY 515 -2.916 11.685 0.724 347 HA3 GLY 515 2HA GLY 515 -2.886 11.893 2.468 348 H ARG 516 H ARG 516 -1.707 9.232 2.905 349 HA ARG 516 HA ARG 516 1.025 9.997 2.784 350 HB2 ARG 516 1HB ARG 516 -0.333 7.400 3.502 351 HB3 ARG 516 2HB ARG 516 1.410 7.618 3.578 352 HG2 ARG 516 1HG ARG 516 1.119 8.314 5.663 353 HG3 ARG 516 2HG ARG 516 0.403 9.778 4.986 354 HD2 ARG 516 1HD ARG 516 -1.761 9.031 5.322 355 HD3 ARG 516 2HD ARG 516 -1.276 7.336 5.367 356 HE ARG 516 HE ARG 516 -0.082 8.342 7.558 357 HH11 ARG 516 1HH1 ARG 516 -4.055 8.650 7.932 358 HH12 ARG 516 2HH1 ARG 516 -3.343 8.536 6.357 359 HH21 ARG 516 1HH2 ARG 516 -2.725 8.625 9.797 360 HH22 ARG 516 2HH2 ARG 516 -1.007 8.491 9.638 361 H THR 517 H THR 517 2.663 9.335 1.461 362 HA THR 517 HA THR 517 1.886 7.725 -0.883 363 HB THR 517 HB THR 517 3.869 10.006 -0.768 364 HG1 THR 517 1HG THR 517 1.241 9.713 -1.767 365 HG21 THR 517 1HG2 THR 517 3.697 9.583 -3.354 366 HG22 THR 517 2HG2 THR 517 3.268 7.949 -2.848 367 HG23 THR 517 3HG2 THR 517 4.816 8.643 -2.367 368 H GLY 518 H GLY 518 3.317 6.181 -1.641 369 HA2 GLY 518 1HA GLY 518 5.908 5.703 -1.280 370 HA3 GLY 518 2HA GLY 518 5.289 5.293 0.312 371 H TRP 519 H TRP 519 6.260 3.179 -0.291 372 HA TRP 519 HA TRP 519 4.642 1.623 -2.168 373 HB2 TRP 519 1HB TRP 519 7.161 0.841 -0.683 374 HB3 TRP 519 2HB TRP 519 6.367 -0.097 -1.944 375 HD1 TRP 519 HD TRP 519 8.101 3.353 -1.554 376 HE1 TRP 519 1HE TRP 519 9.248 3.918 -3.788 377 HE3 TRP 519 3HE TRP 519 6.548 -0.668 -4.303 378 HZ2 TRP 519 2HZ TRP 519 9.464 2.807 -6.373 379 HZ3 TRP 519 3HZ TRP 519 7.269 -0.841 -6.650 380 HH2 TRP 519 HH TRP 519 8.696 0.862 -7.662 381 H PHE 520 H PHE 520 3.712 -0.394 -1.565 382 HA PHE 520 HA PHE 520 3.508 -1.017 1.267 383 HB2 PHE 520 1HB PHE 520 0.994 -1.078 1.127 384 HB3 PHE 520 2HB PHE 520 1.695 0.536 1.082 385 HD1 PHE 520 1HD PHE 520 0.025 -2.072 -0.882 386 HD2 PHE 520 2HD PHE 520 1.520 1.913 -0.865 387 HE1 PHE 520 1HE PHE 520 -1.186 -1.612 -2.976 388 HE2 PHE 520 2HE PHE 520 0.312 2.379 -2.957 389 HZ PHE 520 HZ PHE 520 -1.045 0.616 -4.014 390 HA PRO 521 HA PRO 521 3.293 -5.159 -0.164 391 HB2 PRO 521 1HB PRO 521 1.764 -6.323 1.754 392 HB3 PRO 521 2HB PRO 521 3.431 -5.808 2.036 393 HG2 PRO 521 1HG PRO 521 0.875 -4.420 2.743 394 HG3 PRO 521 2HG PRO 521 2.349 -4.611 3.710 395 HD2 PRO 521 1HD PRO 521 1.767 -2.328 2.377 396 HD3 PRO 521 2HD PRO 521 3.432 -2.888 2.628 397 H ALA 522 H ALA 522 2.188 -5.549 -1.991 398 HA ALA 522 HA ALA 522 -0.454 -4.862 -2.536 399 HB1 ALA 522 1HB ALA 522 1.054 -7.162 -3.767 400 HB2 ALA 522 2HB ALA 522 -0.288 -6.263 -4.475 401 HB3 ALA 522 3HB ALA 522 1.269 -5.472 -4.223 402 H ASP 523 H ASP 523 0.829 -7.521 -0.750 403 HA ASP 523 HA ASP 523 -1.363 -9.302 -1.001 404 HB2 ASP 523 1HB ASP 523 0.971 -9.865 -0.177 405 HB3 ASP 523 2HB ASP 523 0.515 -9.127 1.356 406 H CYS 524 H CYS 524 -1.113 -6.321 0.496 407 HA CYS 524 HA CYS 524 -3.316 -6.950 2.347 408 HB2 CYS 524 1HB CYS 524 -1.416 -4.604 2.512 409 HB3 CYS 524 2HB CYS 524 -2.615 -5.080 3.709 410 HG CYS 524 HG CYS 524 -0.578 -6.019 5.048 411 H VAL 525 H VAL 525 -3.017 -5.954 -0.623 412 HA VAL 525 HA VAL 525 -5.157 -3.952 -0.382 413 HB VAL 525 HB VAL 525 -4.251 -2.552 -2.044 414 HG11 VAL 525 1HG1 VAL 525 -2.530 -1.640 -0.888 415 HG12 VAL 525 2HG1 VAL 525 -3.021 -2.830 0.319 416 HG13 VAL 525 3HG1 VAL 525 -1.663 -3.169 -0.756 417 HG21 VAL 525 1HG2 VAL 525 -1.817 -3.477 -2.884 418 HG22 VAL 525 2HG2 VAL 525 -2.771 -4.959 -2.801 419 HG23 VAL 525 3HG2 VAL 525 -3.324 -3.608 -3.791 420 H GLU 526 H GLU 526 -6.491 -3.753 -2.321 421 HA GLU 526 HA GLU 526 -6.317 -5.842 -4.310 422 HB2 GLU 526 1HB GLU 526 -8.265 -5.926 -2.074 423 HB3 GLU 526 2HB GLU 526 -8.886 -6.303 -3.674 424 HG2 GLU 526 1HG GLU 526 -6.619 -7.804 -3.600 425 HG3 GLU 526 2HG GLU 526 -7.139 -7.853 -1.917 426 H GLU 527 H GLU 527 -7.159 -5.192 -6.205 427 HA GLU 527 HA GLU 527 -7.918 -2.539 -6.618 428 HB2 GLU 527 1HB GLU 527 -7.241 -4.633 -8.236 429 HB3 GLU 527 2HB GLU 527 -8.955 -4.464 -8.586 430 HG2 GLU 527 1HG GLU 527 -7.715 -1.885 -8.569 431 HG3 GLU 527 2HG GLU 527 -6.825 -2.975 -9.632 432 H VAL 528 H VAL 528 -9.933 -1.621 -7.253 433 HA VAL 528 HA VAL 528 -12.065 -2.093 -5.581 434 HB VAL 528 HB VAL 528 -13.447 -0.779 -7.108 435 HG11 VAL 528 1HG1 VAL 528 -11.044 0.775 -7.489 436 HG12 VAL 528 2HG1 VAL 528 -12.412 1.065 -6.414 437 HG13 VAL 528 3HG1 VAL 528 -11.080 0.034 -5.889 438 HG21 VAL 528 1HG2 VAL 528 -11.148 -1.035 -9.045 439 HG22 VAL 528 2HG2 VAL 528 -12.725 -1.808 -9.209 440 HG23 VAL 528 3HG2 VAL 528 -12.593 -0.050 -9.276 441 H GLN 529 H GLN 529 -11.282 -3.658 -8.600 442 HA GLN 529 HA GLN 529 -13.757 -5.242 -8.400 443 HB2 GLN 529 1HB GLN 529 -12.070 -4.442 -10.753 444 HB3 GLN 529 2HB GLN 529 -13.141 -5.834 -10.845 445 HG2 GLN 529 1HG GLN 529 -14.010 -3.037 -10.153 446 HG3 GLN 529 2HG GLN 529 -14.135 -3.772 -11.751 447 HE21 GLN 529 1HE2 GLN 529 -17.049 -4.273 -9.127 448 HE22 GLN 529 2HE2 GLN 529 -15.799 -3.086 -9.019 449 H MET 530 H MET 530 -13.643 -7.504 -8.702 450 HA MET 530 HA MET 530 -11.474 -8.765 -7.446 451 HB2 MET 530 1HB MET 530 -13.765 -9.820 -9.094 452 HB3 MET 530 2HB MET 530 -12.558 -10.887 -8.388 453 HG2 MET 530 1HG MET 530 -13.123 -9.998 -6.159 454 HG3 MET 530 2HG MET 530 -14.389 -9.022 -6.900 455 HE1 MET 530 1HE MET 530 -16.569 -9.607 -7.232 456 HE2 MET 530 2HE MET 530 -17.342 -11.133 -6.804 457 HE3 MET 530 3HE MET 530 -16.582 -10.150 -5.552 Start of MODEL 8 1 H1 MET 470 H MET 470 -5.883 10.062 -6.485 2 HA MET 470 HA MET 470 -7.550 7.844 -6.626 3 HB2 MET 470 1HB MET 470 -9.144 9.187 -5.269 4 HB3 MET 470 2HB MET 470 -7.497 9.225 -4.651 5 HG2 MET 470 1HG MET 470 -7.780 11.427 -4.548 6 HG3 MET 470 2HG MET 470 -7.532 11.399 -6.292 7 HE1 MET 470 1HE MET 470 -10.392 13.308 -4.051 8 HE2 MET 470 2HE MET 470 -8.687 13.406 -4.492 9 HE3 MET 470 3HE MET 470 -9.914 14.094 -5.557 10 H VAL 471 H VAL 471 -7.139 9.305 -9.215 11 HA VAL 471 HA VAL 471 -9.382 10.609 -10.141 12 HB VAL 471 HB VAL 471 -8.814 9.514 -12.394 13 HG11 VAL 471 1HG1 VAL 471 -6.984 10.984 -12.735 14 HG12 VAL 471 2HG1 VAL 471 -8.024 11.747 -11.532 15 HG13 VAL 471 3HG1 VAL 471 -6.541 10.937 -11.030 16 HG21 VAL 471 1HG2 VAL 471 -6.193 8.744 -11.299 17 HG22 VAL 471 2HG2 VAL 471 -7.531 7.672 -10.884 18 HG23 VAL 471 3HG2 VAL 471 -7.155 7.999 -12.576 19 HA PRO 472 HA PRO 472 -12.701 7.741 -10.310 20 HB2 PRO 472 1HB PRO 472 -13.969 8.509 -12.583 21 HB3 PRO 472 2HB PRO 472 -14.002 9.463 -11.096 22 HG2 PRO 472 1HG PRO 472 -12.299 9.811 -13.533 23 HG3 PRO 472 2HG PRO 472 -13.139 11.040 -12.571 24 HD2 PRO 472 1HD PRO 472 -10.489 10.550 -12.313 25 HD3 PRO 472 2HD PRO 472 -11.499 11.075 -10.951 26 H GLY 473 H GLY 473 -12.052 5.672 -10.651 27 HA2 GLY 473 1HA GLY 473 -12.578 4.048 -12.594 28 HA3 GLY 473 2HA GLY 473 -11.248 4.893 -13.372 29 H ARG 474 H ARG 474 -9.203 4.993 -11.946 30 HA ARG 474 HA ARG 474 -8.629 2.251 -11.148 31 HB2 ARG 474 1HB ARG 474 -7.192 4.013 -12.617 32 HB3 ARG 474 2HB ARG 474 -6.493 4.292 -11.029 33 HG2 ARG 474 1HG ARG 474 -5.159 2.570 -11.454 34 HG3 ARG 474 2HG ARG 474 -6.574 1.541 -11.226 35 HD2 ARG 474 1HD ARG 474 -5.818 0.868 -13.302 36 HD3 ARG 474 2HD ARG 474 -7.037 2.068 -13.725 37 HE ARG 474 HE ARG 474 -4.707 3.482 -13.582 38 HH11 ARG 474 1HH1 ARG 474 -4.764 0.989 -16.713 39 HH12 ARG 474 2HH1 ARG 474 -5.788 0.684 -15.349 40 HH21 ARG 474 1HH2 ARG 474 -3.379 2.814 -16.724 41 HH22 ARG 474 2HH2 ARG 474 -3.353 3.892 -15.371 42 H LYS 475 H LYS 475 -9.247 1.840 -9.106 43 HA LYS 475 HA LYS 475 -8.063 3.479 -6.988 44 HB2 LYS 475 1HB LYS 475 -10.263 4.353 -7.034 45 HB3 LYS 475 2HB LYS 475 -10.976 2.760 -7.258 46 HG2 LYS 475 1HG LYS 475 -11.401 3.455 -5.022 47 HG3 LYS 475 2HG LYS 475 -10.200 2.163 -4.970 48 HD2 LYS 475 1HD LYS 475 -9.281 3.694 -3.514 49 HD3 LYS 475 2HD LYS 475 -8.496 4.148 -5.028 50 HE2 LYS 475 1HE LYS 475 -10.389 5.815 -5.329 51 HE3 LYS 475 2HE LYS 475 -10.811 5.488 -3.648 52 HZ1 LYS 475 1HZ LYS 475 -9.241 6.886 -3.002 53 HZ2 LYS 475 2HZ LYS 475 -8.884 7.249 -4.615 54 HZ3 LYS 475 3HZ LYS 475 -8.053 6.006 -3.824 55 H PHE 476 H PHE 476 -7.662 2.374 -5.044 56 HA PHE 476 HA PHE 476 -8.057 -0.541 -5.138 57 HB2 PHE 476 1HB PHE 476 -5.542 1.010 -4.773 58 HB3 PHE 476 2HB PHE 476 -5.742 -0.448 -3.806 59 HD1 PHE 476 1HD PHE 476 -5.921 0.770 -7.316 60 HD2 PHE 476 2HD PHE 476 -5.187 -2.507 -4.699 61 HE1 PHE 476 1HE PHE 476 -5.194 -0.593 -9.231 62 HE2 PHE 476 2HE PHE 476 -4.459 -3.874 -6.611 63 HZ PHE 476 HZ PHE 476 -4.461 -2.918 -8.879 64 H ILE 477 H ILE 477 -7.879 -1.586 -3.002 65 HA ILE 477 HA ILE 477 -8.422 0.200 -0.743 66 HB ILE 477 HB ILE 477 -10.598 -0.562 -1.732 67 HG12 ILE 477 1HG1 ILE 477 -11.183 -1.747 0.670 68 HG13 ILE 477 2HG1 ILE 477 -9.696 -0.884 1.048 69 HG21 ILE 477 1HG2 ILE 477 -9.385 -2.969 -2.016 70 HG22 ILE 477 2HG2 ILE 477 -10.329 -3.236 -0.551 71 HG23 ILE 477 3HG2 ILE 477 -11.131 -2.725 -2.035 72 HD11 ILE 477 1HD1 ILE 477 -10.962 1.083 -0.184 73 HD12 ILE 477 2HD1 ILE 477 -12.372 0.161 0.341 74 HD13 ILE 477 3HD1 ILE 477 -11.202 0.738 1.528 75 H ALA 478 H ALA 478 -7.551 -0.458 1.144 76 HA ALA 478 HA ALA 478 -5.802 -2.748 1.102 77 HB1 ALA 478 1HB ALA 478 -5.876 -1.723 3.703 78 HB2 ALA 478 2HB ALA 478 -4.665 -1.409 2.460 79 HB3 ALA 478 3HB ALA 478 -6.048 -0.330 2.636 80 H VAL 479 H VAL 479 -6.105 -4.686 2.041 81 HA VAL 479 HA VAL 479 -8.692 -5.151 3.354 82 HB VAL 479 HB VAL 479 -8.167 -7.587 2.921 83 HG11 VAL 479 1HG1 VAL 479 -8.196 -6.383 0.246 84 HG12 VAL 479 2HG1 VAL 479 -9.362 -7.456 1.024 85 HG13 VAL 479 3HG1 VAL 479 -9.388 -5.724 1.365 86 HG21 VAL 479 1HG2 VAL 479 -5.661 -6.566 2.261 87 HG22 VAL 479 2HG2 VAL 479 -6.225 -8.222 2.036 88 HG23 VAL 479 3HG2 VAL 479 -6.373 -7.053 0.724 89 H LYS 480 H LYS 480 -5.295 -5.124 3.888 90 HA LYS 480 HA LYS 480 -5.724 -6.211 6.593 91 HB2 LYS 480 1HB LYS 480 -3.076 -6.438 5.204 92 HB3 LYS 480 2HB LYS 480 -3.708 -7.383 6.545 93 HG2 LYS 480 1HG LYS 480 -4.657 -7.532 3.690 94 HG3 LYS 480 2HG LYS 480 -3.594 -8.691 4.491 95 HD2 LYS 480 1HD LYS 480 -6.036 -8.202 5.991 96 HD3 LYS 480 2HD LYS 480 -6.354 -8.810 4.365 97 HE2 LYS 480 1HE LYS 480 -5.461 -10.838 4.807 98 HE3 LYS 480 2HE LYS 480 -4.198 -10.172 5.842 99 HZ1 LYS 480 1HZ LYS 480 -6.732 -9.833 7.050 100 HZ2 LYS 480 2HZ LYS 480 -5.384 -10.676 7.626 101 HZ3 LYS 480 3HZ LYS 480 -6.511 -11.459 6.637 102 H ALA 481 H ALA 481 -3.469 -5.628 7.852 103 HA ALA 481 HA ALA 481 -3.279 -2.697 7.640 104 HB1 ALA 481 1HB ALA 481 -3.903 -4.327 9.828 105 HB2 ALA 481 2HB ALA 481 -2.271 -3.725 10.127 106 HB3 ALA 481 3HB ALA 481 -3.589 -2.590 9.836 107 H HIS 482 H HIS 482 -1.218 -1.707 8.115 108 HA HIS 482 HA HIS 482 1.173 -3.238 8.293 109 HB2 HIS 482 1HB HIS 482 0.630 -3.667 5.925 110 HB3 HIS 482 2HB HIS 482 0.595 -1.932 5.624 111 HD1 HIS 482 1HD HIS 482 2.996 -4.711 6.479 112 HD2 HIS 482 2HD HIS 482 3.050 -0.765 5.178 113 HE1 HIS 482 1HE HIS 482 5.383 -4.246 5.843 114 H SER 483 H SER 483 3.044 -1.937 8.535 115 HA SER 483 HA SER 483 2.486 0.941 8.836 116 HB2 SER 483 1HB SER 483 4.606 0.059 10.583 117 HB3 SER 483 2HB SER 483 3.094 0.869 10.993 118 HG SER 483 HG SER 483 2.219 -0.995 11.494 119 HA PRO 484 HA PRO 484 6.001 1.779 6.348 120 HB2 PRO 484 1HB PRO 484 6.944 4.056 7.487 121 HB3 PRO 484 2HB PRO 484 5.457 4.005 6.530 122 HG2 PRO 484 1HG PRO 484 5.798 3.979 9.504 123 HG3 PRO 484 2HG PRO 484 4.630 4.878 8.520 124 HD2 PRO 484 1HD PRO 484 3.984 2.594 9.822 125 HD3 PRO 484 2HD PRO 484 3.240 3.055 8.277 126 H GLN 485 H GLN 485 7.639 0.349 6.522 127 HA GLN 485 HA GLN 485 9.032 -0.337 8.831 128 HB2 GLN 485 1HB GLN 485 9.436 -0.691 5.926 129 HB3 GLN 485 2HB GLN 485 10.886 -0.823 6.913 130 HG2 GLN 485 1HG GLN 485 9.469 -2.932 6.380 131 HG3 GLN 485 2HG GLN 485 10.151 -2.707 7.989 132 HE21 GLN 485 1HE2 GLN 485 6.119 -2.380 7.399 133 HE22 GLN 485 2HE2 GLN 485 7.223 -2.164 6.089 134 H GLY 486 H GLY 486 9.361 2.412 6.763 135 HA2 GLY 486 1HA GLY 486 10.808 3.988 8.454 136 HA3 GLY 486 2HA GLY 486 12.035 3.086 7.578 137 H GLU 487 H GLU 487 12.113 3.301 5.254 138 HA GLU 487 HA GLU 487 10.934 5.833 4.314 139 HB2 GLU 487 1HB GLU 487 13.551 4.744 3.308 140 HB3 GLU 487 2HB GLU 487 12.913 6.375 3.154 141 HG2 GLU 487 1HG GLU 487 13.050 6.269 5.799 142 HG3 GLU 487 2HG GLU 487 14.300 5.084 5.428 143 H GLY 488 H GLY 488 9.981 5.856 2.332 144 HA2 GLY 488 1HA GLY 488 9.233 5.092 0.285 145 HA3 GLY 488 2HA GLY 488 10.411 3.792 0.388 146 H GLU 489 H GLU 489 8.050 4.378 2.896 147 HA GLU 489 HA GLU 489 6.317 2.258 1.909 148 HB2 GLU 489 1HB GLU 489 7.696 2.094 4.595 149 HB3 GLU 489 2HB GLU 489 6.440 1.004 4.028 150 HG2 GLU 489 1HG GLU 489 8.108 0.650 2.029 151 HG3 GLU 489 2HG GLU 489 9.289 1.204 3.214 152 H ILE 490 H ILE 490 4.232 2.374 2.673 153 HA ILE 490 HA ILE 490 3.651 4.586 4.532 154 HB ILE 490 HB ILE 490 1.399 4.663 3.258 155 HG12 ILE 490 1HG1 ILE 490 3.177 3.417 1.149 156 HG13 ILE 490 2HG1 ILE 490 1.812 2.623 1.925 157 HG21 ILE 490 1HG2 ILE 490 3.808 5.671 1.768 158 HG22 ILE 490 2HG2 ILE 490 2.205 6.397 1.871 159 HG23 ILE 490 3HG2 ILE 490 3.256 6.378 3.286 160 HD11 ILE 490 1HD1 ILE 490 0.517 3.406 0.319 161 HD12 ILE 490 2HD1 ILE 490 0.830 5.040 0.906 162 HD13 ILE 490 3HD1 ILE 490 1.851 4.344 -0.352 163 HA PRO 491 HA PRO 491 1.330 1.812 7.018 164 HB2 PRO 491 1HB PRO 491 -0.716 3.388 7.853 165 HB3 PRO 491 2HB PRO 491 0.941 3.577 8.437 166 HG2 PRO 491 1HG PRO 491 -0.512 5.125 6.326 167 HG3 PRO 491 2HG PRO 491 0.555 5.717 7.612 168 HD2 PRO 491 1HD PRO 491 1.389 5.409 5.055 169 HD3 PRO 491 2HD PRO 491 2.469 5.181 6.445 170 H LEU 492 H LEU 492 -0.945 0.965 7.395 171 HA LEU 492 HA LEU 492 -2.786 1.234 5.182 172 HB2 LEU 492 1HB LEU 492 -1.255 -1.299 5.701 173 HB3 LEU 492 2HB LEU 492 -2.800 -1.288 4.854 174 HG LEU 492 HG LEU 492 -0.253 0.056 3.955 175 HD11 LEU 492 1HD1 LEU 492 0.073 -2.164 3.456 176 HD12 LEU 492 2HD1 LEU 492 -0.747 -1.602 1.999 177 HD13 LEU 492 3HD1 LEU 492 -1.647 -2.481 3.234 178 HD21 LEU 492 1HD2 LEU 492 -2.990 0.592 3.298 179 HD22 LEU 492 2HD2 LEU 492 -2.153 -0.058 1.888 180 HD23 LEU 492 3HD2 LEU 492 -1.525 1.375 2.703 181 H HIS 493 H HIS 493 -4.858 0.517 5.658 182 HA HIS 493 HA HIS 493 -5.331 -0.857 8.181 183 HB2 HIS 493 1HB HIS 493 -5.715 1.996 7.819 184 HB3 HIS 493 2HB HIS 493 -7.226 1.195 8.238 185 HD1 HIS 493 1HD HIS 493 -7.524 0.461 10.631 186 HD2 HIS 493 2HD HIS 493 -3.650 1.710 9.798 187 HE1 HIS 493 1HE HIS 493 -6.363 0.580 12.857 188 H ARG 494 H ARG 494 -7.001 -2.227 8.045 189 HA ARG 494 HA ARG 494 -8.206 -2.929 5.685 190 HB2 ARG 494 1HB ARG 494 -10.008 -3.971 7.144 191 HB3 ARG 494 2HB ARG 494 -8.351 -4.449 7.489 192 HG2 ARG 494 1HG ARG 494 -8.286 -2.875 9.360 193 HG3 ARG 494 2HG ARG 494 -9.953 -2.409 9.017 194 HD2 ARG 494 1HD ARG 494 -10.682 -4.703 9.437 195 HD3 ARG 494 2HD ARG 494 -9.015 -5.176 9.765 196 HE ARG 494 HE ARG 494 -9.812 -3.035 11.447 197 HH11 ARG 494 1HH1 ARG 494 -10.475 -6.791 12.661 198 HH12 ARG 494 2HH1 ARG 494 -10.176 -6.467 10.986 199 HH21 ARG 494 1HH2 ARG 494 -10.494 -5.074 14.178 200 HH22 ARG 494 2HH2 ARG 494 -10.205 -3.449 13.654 201 H GLY 495 H GLY 495 -9.536 -1.881 4.371 202 HA2 GLY 495 1HA GLY 495 -11.677 -0.915 3.921 203 HA3 GLY 495 2HA GLY 495 -11.673 -0.235 5.542 204 H GLU 496 H GLU 496 -8.644 0.220 4.342 205 HA GLU 496 HA GLU 496 -9.122 3.027 3.911 206 HB2 GLU 496 1HB GLU 496 -6.708 1.279 4.107 207 HB3 GLU 496 2HB GLU 496 -6.546 2.859 3.354 208 HG2 GLU 496 1HG GLU 496 -7.721 3.721 5.495 209 HG3 GLU 496 2HG GLU 496 -7.224 2.173 6.177 210 H ALA 497 H ALA 497 -8.411 4.196 2.020 211 HA ALA 497 HA ALA 497 -8.877 2.655 -0.434 212 HB1 ALA 497 1HB ALA 497 -8.797 5.569 -0.669 213 HB2 ALA 497 2HB ALA 497 -9.999 4.414 -1.245 214 HB3 ALA 497 3HB ALA 497 -10.041 4.968 0.428 215 H VAL 498 H VAL 498 -6.986 1.919 -1.210 216 HA VAL 498 HA VAL 498 -4.620 3.630 -1.141 217 HB VAL 498 HB VAL 498 -4.618 0.884 -2.327 218 HG11 VAL 498 1HG1 VAL 498 -2.611 2.435 -0.693 219 HG12 VAL 498 2HG1 VAL 498 -2.352 0.845 -1.412 220 HG13 VAL 498 3HG1 VAL 498 -2.598 2.252 -2.447 221 HG21 VAL 498 1HG2 VAL 498 -5.107 1.584 0.510 222 HG22 VAL 498 2HG2 VAL 498 -5.620 0.172 -0.414 223 HG23 VAL 498 3HG2 VAL 498 -3.964 0.281 0.186 224 H LYS 499 H LYS 499 -3.321 3.944 -3.052 225 HA LYS 499 HA LYS 499 -4.823 3.744 -5.575 226 HB2 LYS 499 1HB LYS 499 -4.873 6.066 -4.596 227 HB3 LYS 499 2HB LYS 499 -3.126 6.117 -4.791 228 HG2 LYS 499 1HG LYS 499 -4.351 7.251 -6.607 229 HG3 LYS 499 2HG LYS 499 -3.328 5.928 -7.175 230 HD2 LYS 499 1HD LYS 499 -6.013 5.039 -6.521 231 HD3 LYS 499 2HD LYS 499 -6.011 6.303 -7.752 232 HE2 LYS 499 1HE LYS 499 -5.420 4.798 -9.272 233 HE3 LYS 499 2HE LYS 499 -3.923 4.509 -8.389 234 HZ1 LYS 499 1HZ LYS 499 -6.133 2.799 -8.698 235 HZ2 LYS 499 2HZ LYS 499 -5.952 3.151 -7.053 236 HZ3 LYS 499 3HZ LYS 499 -4.660 2.490 -7.923 237 H VAL 500 H VAL 500 -3.652 2.048 -6.386 238 HA VAL 500 HA VAL 500 -0.839 1.809 -6.233 239 HB VAL 500 HB VAL 500 -2.792 0.548 -8.161 240 HG11 VAL 500 1HG1 VAL 500 -0.593 -1.107 -7.970 241 HG12 VAL 500 2HG1 VAL 500 -0.988 -0.052 -9.330 242 HG13 VAL 500 3HG1 VAL 500 0.113 0.506 -8.069 243 HG21 VAL 500 1HG2 VAL 500 -2.638 -1.396 -6.732 244 HG22 VAL 500 2HG2 VAL 500 -1.467 -0.581 -5.696 245 HG23 VAL 500 3HG2 VAL 500 -3.129 0.001 -5.775 246 H LEU 501 H LEU 501 0.756 2.596 -7.472 247 HA LEU 501 HA LEU 501 0.030 3.966 -9.974 248 HB2 LEU 501 1HB LEU 501 1.375 5.008 -7.595 249 HB3 LEU 501 2HB LEU 501 2.240 5.326 -9.097 250 HG LEU 501 HG LEU 501 0.059 6.314 -9.961 251 HD11 LEU 501 1HD1 LEU 501 -1.449 5.375 -8.324 252 HD12 LEU 501 2HD1 LEU 501 -1.481 7.135 -8.226 253 HD13 LEU 501 3HD1 LEU 501 -0.594 6.200 -7.020 254 HD21 LEU 501 1HD2 LEU 501 0.961 8.299 -9.493 255 HD22 LEU 501 2HD2 LEU 501 2.181 7.410 -8.583 256 HD23 LEU 501 3HD2 LEU 501 0.769 8.069 -7.755 257 H SER 502 H SER 502 2.718 2.606 -8.083 258 HA SER 502 HA SER 502 3.930 1.727 -10.623 259 HB2 SER 502 1HB SER 502 5.122 3.066 -8.261 260 HB3 SER 502 2HB SER 502 6.066 1.758 -8.972 261 HG SER 502 HG SER 502 5.045 4.024 -10.347 262 H ILE 503 H ILE 503 5.307 -0.217 -10.417 263 HA ILE 503 HA ILE 503 4.346 -2.024 -8.297 264 HB ILE 503 HB ILE 503 4.832 -2.754 -11.187 265 HG12 ILE 503 1HG1 ILE 503 2.753 -1.499 -10.884 266 HG13 ILE 503 2HG1 ILE 503 2.408 -3.186 -11.251 267 HG21 ILE 503 1HG2 ILE 503 3.436 -4.769 -9.779 268 HG22 ILE 503 2HG2 ILE 503 5.043 -4.851 -10.497 269 HG23 ILE 503 3HG2 ILE 503 4.852 -4.337 -8.821 270 HD11 ILE 503 1HD1 ILE 503 2.376 -1.986 -8.493 271 HD12 ILE 503 2HD1 ILE 503 0.955 -2.261 -9.501 272 HD13 ILE 503 3HD1 ILE 503 1.914 -3.629 -8.937 273 H GLY 504 H GLY 504 5.882 -3.049 -7.180 274 HA2 GLY 504 1HA GLY 504 8.655 -2.577 -7.856 275 HA3 GLY 504 2HA GLY 504 8.053 -3.376 -6.412 276 H GLU 505 H GLU 505 8.234 -5.524 -6.281 277 HA GLU 505 HA GLU 505 8.719 -7.027 -8.766 278 HB2 GLU 505 1HB GLU 505 10.092 -7.632 -6.150 279 HB3 GLU 505 2HB GLU 505 10.445 -8.307 -7.734 280 HG2 GLU 505 1HG GLU 505 12.138 -6.808 -7.581 281 HG3 GLU 505 2HG GLU 505 10.913 -5.780 -8.323 282 H GLY 506 H GLY 506 6.269 -7.176 -8.269 283 HA2 GLY 506 1HA GLY 506 4.473 -8.444 -7.597 284 HA3 GLY 506 2HA GLY 506 5.609 -9.784 -7.654 285 H GLY 507 H GLY 507 4.477 -7.146 -5.562 286 HA2 GLY 507 1HA GLY 507 3.750 -8.466 -3.356 287 HA3 GLY 507 2HA GLY 507 5.500 -8.511 -3.205 288 H PHE 508 H PHE 508 5.910 -5.901 -4.406 289 HA PHE 508 HA PHE 508 4.709 -4.163 -2.360 290 HB2 PHE 508 1HB PHE 508 7.374 -4.944 -2.404 291 HB3 PHE 508 2HB PHE 508 7.392 -3.345 -3.143 292 HD1 PHE 508 1HD PHE 508 5.468 -4.874 -0.332 293 HD2 PHE 508 2HD PHE 508 8.049 -1.751 -1.636 294 HE1 PHE 508 1HE PHE 508 5.347 -3.846 1.900 295 HE2 PHE 508 2HE PHE 508 7.934 -0.719 0.593 296 HZ PHE 508 HZ PHE 508 6.582 -1.767 2.366 297 H TRP 509 H TRP 509 3.500 -2.706 -3.363 298 HA TRP 509 HA TRP 509 4.448 -1.626 -5.937 299 HB2 TRP 509 1HB TRP 509 1.585 -1.742 -4.971 300 HB3 TRP 509 2HB TRP 509 2.148 -1.264 -6.571 301 HD1 TRP 509 HD TRP 509 4.276 -3.903 -6.515 302 HE1 TRP 509 1HE TRP 509 3.257 -6.163 -7.206 303 HE3 TRP 509 3HE TRP 509 -0.670 -2.805 -5.833 304 HZ2 TRP 509 2HZ TRP 509 0.694 -7.327 -7.432 305 HZ3 TRP 509 3HZ TRP 509 -2.341 -4.547 -6.310 306 HH2 TRP 509 HH TRP 509 -1.671 -6.760 -7.093 307 H GLU 510 H GLU 510 4.271 0.597 -6.311 308 HA GLU 510 HA GLU 510 4.219 2.202 -3.870 309 HB2 GLU 510 1HB GLU 510 6.052 3.009 -4.896 310 HB3 GLU 510 2HB GLU 510 5.566 2.374 -6.461 311 HG2 GLU 510 1HG GLU 510 5.732 4.768 -6.574 312 HG3 GLU 510 2HG GLU 510 4.044 4.285 -6.741 313 H GLY 511 H GLY 511 2.637 3.598 -3.388 314 HA2 GLY 511 1HA GLY 511 0.972 4.787 -5.414 315 HA3 GLY 511 2HA GLY 511 0.137 3.569 -4.462 316 H THR 512 H THR 512 -1.239 5.439 -3.910 317 HA THR 512 HA THR 512 -0.121 6.865 -1.590 318 HB THR 512 HB THR 512 -2.009 8.040 -3.640 319 HG1 THR 512 1HG THR 512 0.039 8.143 -4.463 320 HG21 THR 512 1HG2 THR 512 -2.452 8.791 -1.321 321 HG22 THR 512 2HG2 THR 512 -1.866 10.091 -2.359 322 HG23 THR 512 3HG2 THR 512 -0.776 9.326 -1.202 323 H VAL 513 H VAL 513 -1.395 6.966 0.197 324 HA VAL 513 HA VAL 513 -4.207 6.242 0.032 325 HB VAL 513 HB VAL 513 -2.830 4.110 0.332 326 HG11 VAL 513 1HG1 VAL 513 -2.653 4.795 3.218 327 HG12 VAL 513 2HG1 VAL 513 -1.671 3.691 2.253 328 HG13 VAL 513 3HG1 VAL 513 -1.416 5.432 2.136 329 HG21 VAL 513 1HG2 VAL 513 -4.406 3.669 2.536 330 HG22 VAL 513 2HG2 VAL 513 -5.206 5.031 1.753 331 HG23 VAL 513 3HG2 VAL 513 -4.929 3.539 0.857 332 H LYS 514 H LYS 514 -5.414 7.247 1.542 333 HA LYS 514 HA LYS 514 -5.960 8.759 3.155 334 HB2 LYS 514 1HB LYS 514 -3.633 7.580 4.677 335 HB3 LYS 514 2HB LYS 514 -5.061 8.360 5.345 336 HG2 LYS 514 1HG LYS 514 -4.960 5.720 3.902 337 HG3 LYS 514 2HG LYS 514 -5.232 5.979 5.626 338 HD2 LYS 514 1HD LYS 514 -7.036 6.945 3.408 339 HD3 LYS 514 2HD LYS 514 -7.323 5.521 4.412 340 HE2 LYS 514 1HE LYS 514 -7.182 8.391 5.327 341 HE3 LYS 514 2HE LYS 514 -8.620 7.374 5.252 342 HZ1 LYS 514 1HZ LYS 514 -7.869 7.431 7.492 343 HZ2 LYS 514 2HZ LYS 514 -6.283 7.041 7.050 344 HZ3 LYS 514 3HZ LYS 514 -7.513 5.892 6.888 345 H GLY 515 H GLY 515 -3.887 9.486 1.143 346 HA2 GLY 515 1HA GLY 515 -3.017 11.649 0.775 347 HA3 GLY 515 2HA GLY 515 -2.963 11.898 2.513 348 H ARG 516 H ARG 516 -1.649 9.217 2.841 349 HA ARG 516 HA ARG 516 1.047 10.165 2.671 350 HB2 ARG 516 1HB ARG 516 -0.131 7.516 3.513 351 HB3 ARG 516 2HB ARG 516 1.591 7.865 3.559 352 HG2 ARG 516 1HG ARG 516 1.099 8.411 5.691 353 HG3 ARG 516 2HG ARG 516 0.709 9.963 4.947 354 HD2 ARG 516 1HD ARG 516 -1.586 9.565 5.033 355 HD3 ARG 516 2HD ARG 516 -1.371 7.825 5.222 356 HE ARG 516 HE ARG 516 -0.259 8.794 7.471 357 HH11 ARG 516 1HH1 ARG 516 -4.155 9.716 7.397 358 HH12 ARG 516 2HH1 ARG 516 -3.317 9.387 5.916 359 HH21 ARG 516 1HH2 ARG 516 -3.035 9.624 9.393 360 HH22 ARG 516 2HH2 ARG 516 -1.351 9.225 9.427 361 H THR 517 H THR 517 2.731 9.379 1.413 362 HA THR 517 HA THR 517 1.922 7.753 -0.909 363 HB THR 517 HB THR 517 3.948 9.997 -0.848 364 HG1 THR 517 1HG THR 517 1.818 10.768 -0.919 365 HG21 THR 517 1HG2 THR 517 3.087 8.149 -3.075 366 HG22 THR 517 2HG2 THR 517 4.700 8.297 -2.374 367 HG23 THR 517 3HG2 THR 517 4.021 9.625 -3.315 368 H GLY 518 H GLY 518 3.312 6.158 -1.618 369 HA2 GLY 518 1HA GLY 518 5.914 5.674 -1.240 370 HA3 GLY 518 2HA GLY 518 5.265 5.269 0.341 371 H TRP 519 H TRP 519 6.236 3.148 -0.267 372 HA TRP 519 HA TRP 519 4.617 1.611 -2.159 373 HB2 TRP 519 1HB TRP 519 7.129 0.809 -0.671 374 HB3 TRP 519 2HB TRP 519 6.333 -0.120 -1.939 375 HD1 TRP 519 HD TRP 519 8.079 3.322 -1.530 376 HE1 TRP 519 1HE TRP 519 9.235 3.891 -3.757 377 HE3 TRP 519 3HE TRP 519 6.521 -0.683 -4.299 378 HZ2 TRP 519 2HZ TRP 519 9.457 2.788 -6.346 379 HZ3 TRP 519 3HZ TRP 519 7.249 -0.851 -6.643 380 HH2 TRP 519 HH TRP 519 8.686 0.850 -7.643 381 H PHE 520 H PHE 520 3.733 -0.449 -1.559 382 HA PHE 520 HA PHE 520 3.489 -1.050 1.272 383 HB2 PHE 520 1HB PHE 520 0.972 -1.154 1.080 384 HB3 PHE 520 2HB PHE 520 1.657 0.467 1.072 385 HD1 PHE 520 1HD PHE 520 0.232 -2.180 -1.074 386 HD2 PHE 520 2HD PHE 520 1.337 1.918 -0.753 387 HE1 PHE 520 1HE PHE 520 -0.935 -1.704 -3.186 388 HE2 PHE 520 2HE PHE 520 0.170 2.401 -2.864 389 HZ PHE 520 HZ PHE 520 -0.969 0.590 -4.084 390 HA PRO 521 HA PRO 521 3.338 -5.204 -0.129 391 HB2 PRO 521 1HB PRO 521 1.781 -6.371 1.763 392 HB3 PRO 521 2HB PRO 521 3.437 -5.837 2.077 393 HG2 PRO 521 1HG PRO 521 0.852 -4.470 2.721 394 HG3 PRO 521 2HG PRO 521 2.308 -4.640 3.720 395 HD2 PRO 521 1HD PRO 521 1.731 -2.371 2.358 396 HD3 PRO 521 2HD PRO 521 3.396 -2.913 2.649 397 H ALA 522 H ALA 522 2.277 -5.671 -1.959 398 HA ALA 522 HA ALA 522 -0.339 -4.990 -2.604 399 HB1 ALA 522 1HB ALA 522 1.222 -7.329 -3.691 400 HB2 ALA 522 2HB ALA 522 -0.139 -6.517 -4.464 401 HB3 ALA 522 3HB ALA 522 1.385 -5.659 -4.238 402 H ASP 523 H ASP 523 0.882 -7.646 -0.742 403 HA ASP 523 HA ASP 523 -1.365 -9.362 -0.964 404 HB2 ASP 523 1HB ASP 523 1.053 -9.815 -0.051 405 HB3 ASP 523 2HB ASP 523 0.359 -9.308 1.486 406 H CYS 524 H CYS 524 -1.017 -6.371 0.493 407 HA CYS 524 HA CYS 524 -3.227 -6.908 2.364 408 HB2 CYS 524 1HB CYS 524 -1.207 -4.658 2.469 409 HB3 CYS 524 2HB CYS 524 -2.468 -4.978 3.653 410 HG CYS 524 HG CYS 524 -0.627 -6.061 5.126 411 H VAL 525 H VAL 525 -2.923 -5.973 -0.623 412 HA VAL 525 HA VAL 525 -5.017 -3.920 -0.403 413 HB VAL 525 HB VAL 525 -4.080 -2.554 -2.085 414 HG11 VAL 525 1HG1 VAL 525 -2.367 -1.643 -0.916 415 HG12 VAL 525 2HG1 VAL 525 -2.888 -2.810 0.300 416 HG13 VAL 525 3HG1 VAL 525 -1.518 -3.179 -0.748 417 HG21 VAL 525 1HG2 VAL 525 -2.627 -4.987 -2.789 418 HG22 VAL 525 2HG2 VAL 525 -3.133 -3.636 -3.802 419 HG23 VAL 525 3HG2 VAL 525 -1.641 -3.527 -2.869 420 H GLU 526 H GLU 526 -6.389 -3.746 -2.289 421 HA GLU 526 HA GLU 526 -6.223 -5.787 -4.322 422 HB2 GLU 526 1HB GLU 526 -7.702 -6.316 -1.969 423 HB3 GLU 526 2HB GLU 526 -8.873 -5.995 -3.240 424 HG2 GLU 526 1HG GLU 526 -6.612 -7.884 -3.723 425 HG3 GLU 526 2HG GLU 526 -8.045 -8.410 -2.841 426 H GLU 527 H GLU 527 -7.444 -5.319 -6.133 427 HA GLU 527 HA GLU 527 -8.093 -2.636 -6.599 428 HB2 GLU 527 1HB GLU 527 -9.098 -5.039 -8.131 429 HB3 GLU 527 2HB GLU 527 -9.011 -3.385 -8.719 430 HG2 GLU 527 1HG GLU 527 -6.805 -3.506 -9.148 431 HG3 GLU 527 2HG GLU 527 -6.479 -4.541 -7.759 432 H VAL 528 H VAL 528 -10.112 -1.617 -6.975 433 HA VAL 528 HA VAL 528 -12.025 -1.907 -5.022 434 HB VAL 528 HB VAL 528 -13.547 -0.599 -6.470 435 HG11 VAL 528 1HG1 VAL 528 -11.073 0.843 -6.987 436 HG12 VAL 528 2HG1 VAL 528 -12.424 1.254 -5.929 437 HG13 VAL 528 3HG1 VAL 528 -11.150 0.177 -5.355 438 HG21 VAL 528 1HG2 VAL 528 -12.858 0.075 -8.692 439 HG22 VAL 528 2HG2 VAL 528 -11.378 -0.872 -8.551 440 HG23 VAL 528 3HG2 VAL 528 -12.943 -1.683 -8.602 441 H GLN 529 H GLN 529 -11.725 -3.629 -8.036 442 HA GLN 529 HA GLN 529 -14.228 -5.063 -7.440 443 HB2 GLN 529 1HB GLN 529 -14.457 -5.533 -9.790 444 HB3 GLN 529 2HB GLN 529 -14.220 -3.802 -9.586 445 HG2 GLN 529 1HG GLN 529 -11.866 -4.056 -10.198 446 HG3 GLN 529 2HG GLN 529 -12.115 -5.787 -10.417 447 HE21 GLN 529 1HE2 GLN 529 -14.058 -3.322 -13.048 448 HE22 GLN 529 2HE2 GLN 529 -14.006 -2.941 -11.363 449 H MET 530 H MET 530 -14.207 -7.360 -8.352 450 HA MET 530 HA MET 530 -11.997 -8.743 -7.170 451 HB2 MET 530 1HB MET 530 -14.381 -9.535 -7.117 452 HB3 MET 530 2HB MET 530 -14.237 -9.905 -8.830 453 HG2 MET 530 1HG MET 530 -13.769 -11.949 -7.977 454 HG3 MET 530 2HG MET 530 -12.141 -11.274 -7.993 455 HE1 MET 530 1HE MET 530 -11.536 -13.317 -5.475 456 HE2 MET 530 2HE MET 530 -13.189 -13.700 -4.993 457 HE3 MET 530 3HE MET 530 -12.760 -13.642 -6.703 Start of MODEL 9 1 H1 MET 470 H MET 470 -16.215 9.086 -5.340 2 HA MET 470 HA MET 470 -16.589 6.930 -7.167 3 HB2 MET 470 1HB MET 470 -18.155 9.494 -6.826 4 HB3 MET 470 2HB MET 470 -18.675 8.109 -7.777 5 HG2 MET 470 1HG MET 470 -18.712 6.734 -5.762 6 HG3 MET 470 2HG MET 470 -18.185 8.119 -4.807 7 HE1 MET 470 1HE MET 470 -21.732 8.253 -7.480 8 HE2 MET 470 2HE MET 470 -20.470 7.022 -7.463 9 HE3 MET 470 3HE MET 470 -21.946 6.784 -6.527 10 H VAL 471 H VAL 471 -14.521 7.385 -8.342 11 HA VAL 471 HA VAL 471 -15.093 9.105 -10.650 12 HB VAL 471 HB VAL 471 -13.569 10.385 -9.254 13 HG11 VAL 471 1HG1 VAL 471 -11.962 9.452 -8.037 14 HG12 VAL 471 2HG1 VAL 471 -12.480 7.875 -8.637 15 HG13 VAL 471 3HG1 VAL 471 -11.208 8.766 -9.475 16 HG21 VAL 471 1HG2 VAL 471 -11.687 10.626 -10.868 17 HG22 VAL 471 2HG2 VAL 471 -12.280 9.191 -11.705 18 HG23 VAL 471 3HG2 VAL 471 -13.282 10.639 -11.622 19 HA PRO 472 HA PRO 472 -14.003 5.415 -12.831 20 HB2 PRO 472 1HB PRO 472 -13.867 6.505 -15.313 21 HB3 PRO 472 2HB PRO 472 -15.397 6.178 -14.490 22 HG2 PRO 472 1HG PRO 472 -13.895 8.756 -14.746 23 HG3 PRO 472 2HG PRO 472 -15.635 8.455 -14.903 24 HD2 PRO 472 1HD PRO 472 -14.531 9.475 -12.651 25 HD3 PRO 472 2HD PRO 472 -15.964 8.428 -12.621 26 H GLY 473 H GLY 473 -12.017 4.580 -12.664 27 HA2 GLY 473 1HA GLY 473 -9.897 5.160 -14.320 28 HA3 GLY 473 2HA GLY 473 -9.645 6.159 -12.898 29 H ARG 474 H ARG 474 -8.075 5.246 -11.746 30 HA ARG 474 HA ARG 474 -8.219 2.340 -11.274 31 HB2 ARG 474 1HB ARG 474 -6.208 3.360 -12.561 32 HB3 ARG 474 2HB ARG 474 -5.696 3.943 -10.983 33 HG2 ARG 474 1HG ARG 474 -4.857 1.965 -10.457 34 HG3 ARG 474 2HG ARG 474 -6.382 1.160 -10.834 35 HD2 ARG 474 1HD ARG 474 -5.641 0.450 -12.823 36 HD3 ARG 474 2HD ARG 474 -4.906 2.007 -13.202 37 HE ARG 474 HE ARG 474 -3.594 -0.301 -12.147 38 HH11 ARG 474 1HH1 ARG 474 -1.846 3.292 -11.904 39 HH12 ARG 474 2HH1 ARG 474 -3.544 3.179 -12.226 40 HH21 ARG 474 1HH2 ARG 474 -0.603 1.389 -11.619 41 HH22 ARG 474 2HH2 ARG 474 -1.358 -0.165 -11.722 42 H LYS 475 H LYS 475 -8.778 1.811 -9.279 43 HA LYS 475 HA LYS 475 -7.813 3.435 -7.039 44 HB2 LYS 475 1HB LYS 475 -10.012 4.282 -7.302 45 HB3 LYS 475 2HB LYS 475 -10.678 2.679 -7.588 46 HG2 LYS 475 1HG LYS 475 -11.315 3.383 -5.400 47 HG3 LYS 475 2HG LYS 475 -10.124 2.092 -5.240 48 HD2 LYS 475 1HD LYS 475 -9.263 3.571 -3.733 49 HD3 LYS 475 2HD LYS 475 -8.454 4.153 -5.189 50 HE2 LYS 475 1HE LYS 475 -10.256 5.818 -5.480 51 HE3 LYS 475 2HE LYS 475 -10.978 5.266 -3.969 52 HZ1 LYS 475 1HZ LYS 475 -9.284 6.164 -2.727 53 HZ2 LYS 475 2HZ LYS 475 -9.412 7.305 -3.969 54 HZ3 LYS 475 3HZ LYS 475 -8.173 6.153 -4.004 55 H PHE 476 H PHE 476 -7.567 2.314 -5.085 56 HA PHE 476 HA PHE 476 -8.004 -0.588 -5.186 57 HB2 PHE 476 1HB PHE 476 -5.440 0.874 -4.757 58 HB3 PHE 476 2HB PHE 476 -5.718 -0.596 -3.828 59 HD1 PHE 476 1HD PHE 476 -5.181 -2.643 -4.746 60 HD2 PHE 476 2HD PHE 476 -5.801 0.690 -7.319 61 HE1 PHE 476 1HE PHE 476 -4.456 -3.997 -6.669 62 HE2 PHE 476 2HE PHE 476 -5.079 -0.658 -9.246 63 HZ PHE 476 HZ PHE 476 -4.406 -3.005 -8.923 64 H ILE 477 H ILE 477 -7.901 -1.617 -3.035 65 HA ILE 477 HA ILE 477 -8.467 0.225 -0.821 66 HB ILE 477 HB ILE 477 -10.615 -0.584 -1.830 67 HG12 ILE 477 1HG1 ILE 477 -11.265 -1.696 0.572 68 HG13 ILE 477 2HG1 ILE 477 -9.766 -0.867 0.980 69 HG21 ILE 477 1HG2 ILE 477 -10.349 -3.225 -0.580 70 HG22 ILE 477 2HG2 ILE 477 -11.119 -2.756 -2.094 71 HG23 ILE 477 3HG2 ILE 477 -9.372 -2.986 -2.028 72 HD11 ILE 477 1HD1 ILE 477 -11.004 1.090 -0.359 73 HD12 ILE 477 2HD1 ILE 477 -12.406 0.224 0.273 74 HD13 ILE 477 3HD1 ILE 477 -11.175 0.837 1.378 75 H ALA 478 H ALA 478 -7.623 -0.374 1.097 76 HA ALA 478 HA ALA 478 -5.826 -2.618 1.153 77 HB1 ALA 478 1HB ALA 478 -5.932 -1.655 3.728 78 HB2 ALA 478 2HB ALA 478 -4.810 -1.132 2.470 79 HB3 ALA 478 3HB ALA 478 -6.302 -0.234 2.751 80 H VAL 479 H VAL 479 -6.109 -4.563 2.081 81 HA VAL 479 HA VAL 479 -8.715 -5.088 3.339 82 HB VAL 479 HB VAL 479 -8.128 -7.518 2.868 83 HG11 VAL 479 1HG1 VAL 479 -8.323 -6.705 0.192 84 HG12 VAL 479 2HG1 VAL 479 -9.640 -7.136 1.284 85 HG13 VAL 479 3HG1 VAL 479 -9.126 -5.455 1.139 86 HG21 VAL 479 1HG2 VAL 479 -6.232 -8.092 1.838 87 HG22 VAL 479 2HG2 VAL 479 -6.382 -6.794 0.654 88 HG23 VAL 479 3HG2 VAL 479 -5.662 -6.470 2.231 89 H LYS 480 H LYS 480 -5.335 -4.990 3.910 90 HA LYS 480 HA LYS 480 -5.766 -6.121 6.593 91 HB2 LYS 480 1HB LYS 480 -3.128 -6.387 5.185 92 HB3 LYS 480 2HB LYS 480 -3.756 -7.315 6.541 93 HG2 LYS 480 1HG LYS 480 -4.759 -7.470 3.706 94 HG3 LYS 480 2HG LYS 480 -3.676 -8.628 4.482 95 HD2 LYS 480 1HD LYS 480 -6.117 -8.105 6.003 96 HD3 LYS 480 2HD LYS 480 -6.413 -8.802 4.409 97 HE2 LYS 480 1HE LYS 480 -6.172 -10.668 5.775 98 HE3 LYS 480 2HE LYS 480 -4.576 -10.491 5.046 99 HZ1 LYS 480 1HZ LYS 480 -3.674 -9.712 7.006 100 HZ2 LYS 480 2HZ LYS 480 -4.759 -10.882 7.566 101 HZ3 LYS 480 3HZ LYS 480 -5.167 -9.242 7.649 102 H ALA 481 H ALA 481 -3.501 -5.577 7.852 103 HA ALA 481 HA ALA 481 -3.282 -2.648 7.665 104 HB1 ALA 481 1HB ALA 481 -4.048 -4.107 9.807 105 HB2 ALA 481 2HB ALA 481 -2.316 -3.966 10.108 106 HB3 ALA 481 3HB ALA 481 -3.298 -2.514 9.910 107 H HIS 482 H HIS 482 -1.195 -1.690 8.190 108 HA HIS 482 HA HIS 482 1.182 -3.237 8.273 109 HB2 HIS 482 1HB HIS 482 0.532 -3.571 5.884 110 HB3 HIS 482 2HB HIS 482 0.646 -1.829 5.650 111 HD1 HIS 482 1HD HIS 482 2.814 -4.816 6.454 112 HD2 HIS 482 2HD HIS 482 3.177 -0.881 5.171 113 HE1 HIS 482 1HE HIS 482 5.230 -4.539 5.809 114 H SER 483 H SER 483 3.063 -1.958 8.526 115 HA SER 483 HA SER 483 2.536 0.920 8.885 116 HB2 SER 483 1HB SER 483 4.662 -0.042 10.594 117 HB3 SER 483 2HB SER 483 3.184 0.817 11.029 118 HG SER 483 HG SER 483 3.766 -1.859 11.163 119 HA PRO 484 HA PRO 484 6.022 1.743 6.348 120 HB2 PRO 484 1HB PRO 484 6.941 4.046 7.454 121 HB3 PRO 484 2HB PRO 484 5.455 3.965 6.501 122 HG2 PRO 484 1HG PRO 484 5.800 3.983 9.474 123 HG3 PRO 484 2HG PRO 484 4.619 4.856 8.479 124 HD2 PRO 484 1HD PRO 484 4.001 2.583 9.814 125 HD3 PRO 484 2HD PRO 484 3.250 3.015 8.264 126 H GLN 485 H GLN 485 7.679 0.338 6.537 127 HA GLN 485 HA GLN 485 9.080 -0.309 8.850 128 HB2 GLN 485 1HB GLN 485 9.907 -0.451 5.952 129 HB3 GLN 485 2HB GLN 485 10.868 -1.124 7.262 130 HG2 GLN 485 1HG GLN 485 8.158 -1.977 6.306 131 HG3 GLN 485 2HG GLN 485 9.646 -2.919 6.383 132 HE21 GLN 485 1HE2 GLN 485 7.246 -2.516 9.636 133 HE22 GLN 485 2HE2 GLN 485 7.013 -1.560 8.216 134 H GLY 486 H GLY 486 9.370 2.431 6.766 135 HA2 GLY 486 1HA GLY 486 10.794 4.040 8.443 136 HA3 GLY 486 2HA GLY 486 12.035 3.146 7.578 137 H GLU 487 H GLU 487 12.118 3.340 5.252 138 HA GLU 487 HA GLU 487 10.907 5.849 4.286 139 HB2 GLU 487 1HB GLU 487 13.689 4.969 4.337 140 HB3 GLU 487 2HB GLU 487 13.164 5.452 2.730 141 HG2 GLU 487 1HG GLU 487 12.187 7.437 4.404 142 HG3 GLU 487 2HG GLU 487 13.794 7.072 5.030 143 H GLY 488 H GLY 488 9.985 5.852 2.285 144 HA2 GLY 488 1HA GLY 488 9.251 5.058 0.244 145 HA3 GLY 488 2HA GLY 488 10.433 3.765 0.372 146 H GLU 489 H GLU 489 8.046 4.377 2.851 147 HA GLU 489 HA GLU 489 6.321 2.247 1.880 148 HB2 GLU 489 1HB GLU 489 7.695 2.087 4.568 149 HB3 GLU 489 2HB GLU 489 6.447 0.991 3.992 150 HG2 GLU 489 1HG GLU 489 8.096 0.601 2.014 151 HG3 GLU 489 2HG GLU 489 9.292 1.234 3.142 152 H ILE 490 H ILE 490 4.242 2.321 2.702 153 HA ILE 490 HA ILE 490 3.663 4.550 4.541 154 HB ILE 490 HB ILE 490 1.405 4.622 3.270 155 HG12 ILE 490 1HG1 ILE 490 3.193 3.379 1.167 156 HG13 ILE 490 2HG1 ILE 490 1.808 2.599 1.923 157 HG21 ILE 490 1HG2 ILE 490 3.226 6.358 3.312 158 HG22 ILE 490 2HG2 ILE 490 3.831 5.649 1.815 159 HG23 ILE 490 3HG2 ILE 490 2.216 6.356 1.866 160 HD11 ILE 490 1HD1 ILE 490 0.543 3.404 0.304 161 HD12 ILE 490 2HD1 ILE 490 0.870 5.032 0.899 162 HD13 ILE 490 3HD1 ILE 490 1.898 4.326 -0.348 163 HA PRO 491 HA PRO 491 1.349 1.770 7.027 164 HB2 PRO 491 1HB PRO 491 -0.696 3.344 7.871 165 HB3 PRO 491 2HB PRO 491 0.963 3.531 8.451 166 HG2 PRO 491 1HG PRO 491 -0.495 5.083 6.347 167 HG3 PRO 491 2HG PRO 491 0.575 5.673 7.632 168 HD2 PRO 491 1HD PRO 491 1.402 5.372 5.071 169 HD3 PRO 491 2HD PRO 491 2.487 5.139 6.458 170 H LEU 492 H LEU 492 -0.941 0.944 7.415 171 HA LEU 492 HA LEU 492 -2.785 1.213 5.208 172 HB2 LEU 492 1HB LEU 492 -1.249 -1.322 5.708 173 HB3 LEU 492 2HB LEU 492 -2.801 -1.309 4.870 174 HG LEU 492 HG LEU 492 -0.262 0.045 3.961 175 HD11 LEU 492 1HD1 LEU 492 0.064 -2.177 3.461 176 HD12 LEU 492 2HD1 LEU 492 -0.746 -1.606 2.004 177 HD13 LEU 492 3HD1 LEU 492 -1.655 -2.490 3.228 178 HD21 LEU 492 1HD2 LEU 492 -2.185 -0.075 1.909 179 HD22 LEU 492 2HD2 LEU 492 -1.537 1.358 2.707 180 HD23 LEU 492 3HD2 LEU 492 -2.998 0.587 3.328 181 H HIS 493 H HIS 493 -4.855 0.506 5.697 182 HA HIS 493 HA HIS 493 -5.317 -0.888 8.211 183 HB2 HIS 493 1HB HIS 493 -5.715 1.971 7.859 184 HB3 HIS 493 2HB HIS 493 -7.206 1.154 8.317 185 HD1 HIS 493 1HD HIS 493 -7.447 0.466 10.721 186 HD2 HIS 493 2HD HIS 493 -3.580 1.654 9.775 187 HE1 HIS 493 1HE HIS 493 -6.224 0.582 12.916 188 H ARG 494 H ARG 494 -7.004 -2.242 8.084 189 HA ARG 494 HA ARG 494 -8.220 -2.931 5.724 190 HB2 ARG 494 1HB ARG 494 -9.975 -4.029 7.135 191 HB3 ARG 494 2HB ARG 494 -8.324 -4.414 7.601 192 HG2 ARG 494 1HG ARG 494 -8.512 -2.642 9.366 193 HG3 ARG 494 2HG ARG 494 -10.230 -2.541 8.975 194 HD2 ARG 494 1HD ARG 494 -10.435 -4.960 9.466 195 HD3 ARG 494 2HD ARG 494 -8.743 -4.972 9.959 196 HE ARG 494 HE ARG 494 -10.967 -4.061 11.492 197 HH11 ARG 494 1HH1 ARG 494 -7.268 -2.887 12.471 198 HH12 ARG 494 2HH1 ARG 494 -7.576 -3.544 10.898 199 HH21 ARG 494 1HH2 ARG 494 -8.972 -2.690 13.988 200 HH22 ARG 494 2HH2 ARG 494 -10.573 -3.196 13.566 201 H GLY 495 H GLY 495 -9.549 -1.868 4.418 202 HA2 GLY 495 1HA GLY 495 -11.684 -0.887 3.980 203 HA3 GLY 495 2HA GLY 495 -11.670 -0.214 5.602 204 H GLU 496 H GLU 496 -8.641 0.226 4.394 205 HA GLU 496 HA GLU 496 -9.098 3.038 3.981 206 HB2 GLU 496 1HB GLU 496 -6.703 1.264 4.149 207 HB3 GLU 496 2HB GLU 496 -6.528 2.837 3.387 208 HG2 GLU 496 1HG GLU 496 -7.683 3.711 5.545 209 HG3 GLU 496 2HG GLU 496 -7.163 2.169 6.221 210 H ALA 497 H ALA 497 -8.351 4.208 2.090 211 HA ALA 497 HA ALA 497 -8.870 2.691 -0.371 212 HB1 ALA 497 1HB ALA 497 -10.219 4.788 0.358 213 HB2 ALA 497 2HB ALA 497 -8.824 5.676 -0.256 214 HB3 ALA 497 3HB ALA 497 -9.730 4.609 -1.328 215 H VAL 498 H VAL 498 -7.011 1.962 -1.209 216 HA VAL 498 HA VAL 498 -4.643 3.688 -1.173 217 HB VAL 498 HB VAL 498 -4.635 0.884 -2.227 218 HG11 VAL 498 1HG1 VAL 498 -2.638 2.279 -2.486 219 HG12 VAL 498 2HG1 VAL 498 -2.587 2.525 -0.739 220 HG13 VAL 498 3HG1 VAL 498 -2.341 0.913 -1.411 221 HG21 VAL 498 1HG2 VAL 498 -4.571 1.681 0.682 222 HG22 VAL 498 2HG2 VAL 498 -5.785 0.679 -0.116 223 HG23 VAL 498 3HG2 VAL 498 -4.134 0.086 0.066 224 H LYS 499 H LYS 499 -3.384 3.988 -3.095 225 HA LYS 499 HA LYS 499 -4.877 3.623 -5.604 226 HB2 LYS 499 1HB LYS 499 -4.740 6.036 -4.464 227 HB3 LYS 499 2HB LYS 499 -3.191 6.056 -5.298 228 HG2 LYS 499 1HG LYS 499 -4.457 6.943 -6.943 229 HG3 LYS 499 2HG LYS 499 -4.726 5.239 -7.315 230 HD2 LYS 499 1HD LYS 499 -6.876 6.121 -7.322 231 HD3 LYS 499 2HD LYS 499 -6.734 5.445 -5.698 232 HE2 LYS 499 1HE LYS 499 -7.736 7.629 -5.559 233 HE3 LYS 499 2HE LYS 499 -6.117 7.691 -4.863 234 HZ1 LYS 499 1HZ LYS 499 -5.580 9.275 -6.290 235 HZ2 LYS 499 2HZ LYS 499 -7.155 9.270 -6.903 236 HZ3 LYS 499 3HZ LYS 499 -5.971 8.290 -7.608 237 H VAL 500 H VAL 500 -3.654 1.989 -6.423 238 HA VAL 500 HA VAL 500 -0.839 1.821 -6.232 239 HB VAL 500 HB VAL 500 -2.702 0.515 -8.219 240 HG11 VAL 500 1HG1 VAL 500 -0.574 0.358 -9.182 241 HG12 VAL 500 2HG1 VAL 500 0.212 0.111 -7.621 242 HG13 VAL 500 3HG1 VAL 500 -0.779 -1.169 -8.323 243 HG21 VAL 500 1HG2 VAL 500 -3.112 0.031 -5.797 244 HG22 VAL 500 2HG2 VAL 500 -2.698 -1.381 -6.768 245 HG23 VAL 500 3HG2 VAL 500 -1.485 -0.647 -5.719 246 H LEU 501 H LEU 501 0.761 2.603 -7.478 247 HA LEU 501 HA LEU 501 0.028 3.981 -9.974 248 HB2 LEU 501 1HB LEU 501 1.395 5.012 -7.592 249 HB3 LEU 501 2HB LEU 501 2.209 5.371 -9.114 250 HG LEU 501 HG LEU 501 0.012 6.347 -9.908 251 HD11 LEU 501 1HD1 LEU 501 -1.447 7.133 -7.988 252 HD12 LEU 501 2HD1 LEU 501 -0.637 5.911 -7.008 253 HD13 LEU 501 3HD1 LEU 501 -1.567 5.429 -8.428 254 HD21 LEU 501 1HD2 LEU 501 0.634 8.419 -9.186 255 HD22 LEU 501 2HD2 LEU 501 2.098 7.519 -8.785 256 HD23 LEU 501 3HD2 LEU 501 0.913 7.882 -7.529 257 H SER 502 H SER 502 2.677 2.559 -8.084 258 HA SER 502 HA SER 502 3.912 1.719 -10.624 259 HB2 SER 502 1HB SER 502 5.103 3.066 -8.265 260 HB3 SER 502 2HB SER 502 6.053 1.769 -8.987 261 HG SER 502 HG SER 502 6.103 2.868 -10.897 262 H ILE 503 H ILE 503 5.359 -0.197 -10.371 263 HA ILE 503 HA ILE 503 4.402 -2.008 -8.255 264 HB ILE 503 HB ILE 503 4.892 -2.781 -11.133 265 HG12 ILE 503 1HG1 ILE 503 2.831 -1.464 -10.850 266 HG13 ILE 503 2HG1 ILE 503 2.474 -3.138 -11.257 267 HG21 ILE 503 1HG2 ILE 503 4.806 -4.308 -8.718 268 HG22 ILE 503 2HG2 ILE 503 3.440 -4.747 -9.740 269 HG23 ILE 503 3HG2 ILE 503 5.082 -4.856 -10.371 270 HD11 ILE 503 1HD1 ILE 503 1.015 -2.146 -9.502 271 HD12 ILE 503 2HD1 ILE 503 1.847 -3.623 -9.015 272 HD13 ILE 503 3HD1 ILE 503 2.430 -2.056 -8.454 273 H GLY 504 H GLY 504 5.931 -3.163 -7.222 274 HA2 GLY 504 1HA GLY 504 8.708 -2.632 -7.914 275 HA3 GLY 504 2HA GLY 504 8.127 -3.409 -6.448 276 H GLU 505 H GLU 505 8.290 -5.559 -6.290 277 HA GLU 505 HA GLU 505 8.771 -7.091 -8.758 278 HB2 GLU 505 1HB GLU 505 10.326 -7.033 -6.212 279 HB3 GLU 505 2HB GLU 505 10.195 -8.559 -7.076 280 HG2 GLU 505 1HG GLU 505 10.953 -7.154 -9.127 281 HG3 GLU 505 2HG GLU 505 11.530 -6.024 -7.903 282 H GLY 506 H GLY 506 6.305 -7.186 -8.264 283 HA2 GLY 506 1HA GLY 506 4.488 -8.429 -7.605 284 HA3 GLY 506 2HA GLY 506 5.603 -9.786 -7.656 285 H GLY 507 H GLY 507 4.468 -7.146 -5.574 286 HA2 GLY 507 1HA GLY 507 3.723 -8.450 -3.371 287 HA3 GLY 507 2HA GLY 507 5.472 -8.516 -3.208 288 H PHE 508 H PHE 508 5.904 -5.907 -4.421 289 HA PHE 508 HA PHE 508 4.727 -4.160 -2.365 290 HB2 PHE 508 1HB PHE 508 7.376 -4.957 -2.408 291 HB3 PHE 508 2HB PHE 508 7.419 -3.381 -3.192 292 HD1 PHE 508 1HD PHE 508 5.470 -4.787 -0.336 293 HD2 PHE 508 2HD PHE 508 8.123 -1.766 -1.729 294 HE1 PHE 508 1HE PHE 508 5.378 -3.696 1.868 295 HE2 PHE 508 2HE PHE 508 8.038 -0.670 0.472 296 HZ PHE 508 HZ PHE 508 6.664 -1.635 2.274 297 H TRP 509 H TRP 509 3.514 -2.699 -3.357 298 HA TRP 509 HA TRP 509 4.442 -1.621 -5.938 299 HB2 TRP 509 1HB TRP 509 1.588 -1.738 -4.945 300 HB3 TRP 509 2HB TRP 509 2.133 -1.245 -6.546 301 HD1 TRP 509 HD TRP 509 4.263 -3.881 -6.544 302 HE1 TRP 509 1HE TRP 509 3.237 -6.136 -7.243 303 HE3 TRP 509 3HE TRP 509 -0.675 -2.796 -5.787 304 HZ2 TRP 509 2HZ TRP 509 0.675 -7.300 -7.447 305 HZ3 TRP 509 3HZ TRP 509 -2.351 -4.536 -6.257 306 HH2 TRP 509 HH TRP 509 -1.687 -6.740 -7.071 307 H GLU 510 H GLU 510 4.216 0.608 -6.324 308 HA GLU 510 HA GLU 510 4.196 2.211 -3.876 309 HB2 GLU 510 1HB GLU 510 6.037 3.007 -4.898 310 HB3 GLU 510 2HB GLU 510 5.548 2.378 -6.465 311 HG2 GLU 510 1HG GLU 510 5.730 4.771 -6.570 312 HG3 GLU 510 2HG GLU 510 4.041 4.297 -6.747 313 H GLY 511 H GLY 511 2.613 3.603 -3.394 314 HA2 GLY 511 1HA GLY 511 0.958 4.799 -5.428 315 HA3 GLY 511 2HA GLY 511 0.118 3.587 -4.473 316 H THR 512 H THR 512 -1.278 5.361 -3.834 317 HA THR 512 HA THR 512 -0.133 6.848 -1.569 318 HB THR 512 HB THR 512 -2.121 7.982 -3.547 319 HG1 THR 512 1HG THR 512 -0.359 8.491 -4.596 320 HG21 THR 512 1HG2 THR 512 -0.707 9.367 -1.270 321 HG22 THR 512 2HG2 THR 512 -2.350 8.735 -1.164 322 HG23 THR 512 3HG2 THR 512 -1.973 10.023 -2.307 323 H VAL 513 H VAL 513 -1.387 6.970 0.239 324 HA VAL 513 HA VAL 513 -4.178 6.160 0.135 325 HB VAL 513 HB VAL 513 -2.707 4.082 0.464 326 HG11 VAL 513 1HG1 VAL 513 -2.583 4.866 3.335 327 HG12 VAL 513 2HG1 VAL 513 -1.583 3.728 2.431 328 HG13 VAL 513 3HG1 VAL 513 -1.341 5.464 2.235 329 HG21 VAL 513 1HG2 VAL 513 -4.254 3.424 2.517 330 HG22 VAL 513 2HG2 VAL 513 -5.053 4.932 2.074 331 HG23 VAL 513 3HG2 VAL 513 -4.902 3.634 0.890 332 H LYS 514 H LYS 514 -5.391 7.158 1.646 333 HA LYS 514 HA LYS 514 -5.952 8.694 3.232 334 HB2 LYS 514 1HB LYS 514 -3.596 7.482 4.689 335 HB3 LYS 514 2HB LYS 514 -4.896 8.413 5.421 336 HG2 LYS 514 1HG LYS 514 -5.227 5.769 4.017 337 HG3 LYS 514 2HG LYS 514 -5.160 6.002 5.766 338 HD2 LYS 514 1HD LYS 514 -7.105 7.782 4.678 339 HD3 LYS 514 2HD LYS 514 -7.411 6.160 4.053 340 HE2 LYS 514 1HE LYS 514 -8.534 5.903 5.987 341 HE3 LYS 514 2HE LYS 514 -6.929 5.603 6.651 342 HZ1 LYS 514 1HZ LYS 514 -7.175 7.357 7.952 343 HZ2 LYS 514 2HZ LYS 514 -8.722 7.635 7.327 344 HZ3 LYS 514 3HZ LYS 514 -7.376 8.369 6.611 345 H GLY 515 H GLY 515 -3.933 9.439 1.178 346 HA2 GLY 515 1HA GLY 515 -3.123 11.617 0.762 347 HA3 GLY 515 2HA GLY 515 -3.042 11.892 2.495 348 H ARG 516 H ARG 516 -1.655 9.271 2.869 349 HA ARG 516 HA ARG 516 1.014 10.275 2.601 350 HB2 ARG 516 1HB ARG 516 0.041 7.547 3.471 351 HB3 ARG 516 2HB ARG 516 1.681 8.154 3.652 352 HG2 ARG 516 1HG ARG 516 0.969 8.677 5.716 353 HG3 ARG 516 2HG ARG 516 0.322 10.106 4.906 354 HD2 ARG 516 1HD ARG 516 -1.826 9.391 5.071 355 HD3 ARG 516 2HD ARG 516 -1.386 7.691 4.915 356 HE ARG 516 HE ARG 516 -1.391 7.560 7.187 357 HH11 ARG 516 1HH1 ARG 516 -0.921 11.469 7.911 358 HH12 ARG 516 2HH1 ARG 516 -0.894 10.885 6.281 359 HH21 ARG 516 1HH2 ARG 516 -1.223 10.008 9.649 360 HH22 ARG 516 2HH2 ARG 516 -1.428 8.317 9.337 361 H THR 517 H THR 517 2.713 9.402 1.383 362 HA THR 517 HA THR 517 1.870 7.733 -0.897 363 HB THR 517 HB THR 517 3.985 9.894 -0.951 364 HG1 THR 517 1HG THR 517 2.399 10.981 -2.271 365 HG21 THR 517 1HG2 THR 517 3.874 9.545 -3.402 366 HG22 THR 517 2HG2 THR 517 2.790 8.179 -3.132 367 HG23 THR 517 3HG2 THR 517 4.448 8.121 -2.534 368 H GLY 518 H GLY 518 3.290 6.154 -1.631 369 HA2 GLY 518 1HA GLY 518 5.881 5.662 -1.223 370 HA3 GLY 518 2HA GLY 518 5.220 5.264 0.356 371 H TRP 519 H TRP 519 6.231 3.150 -0.292 372 HA TRP 519 HA TRP 519 4.603 1.603 -2.163 373 HB2 TRP 519 1HB TRP 519 7.116 0.804 -0.677 374 HB3 TRP 519 2HB TRP 519 6.324 -0.120 -1.949 375 HD1 TRP 519 HD TRP 519 8.059 3.325 -1.527 376 HE1 TRP 519 1HE TRP 519 9.219 3.903 -3.750 377 HE3 TRP 519 3HE TRP 519 6.521 -0.679 -4.309 378 HZ2 TRP 519 2HZ TRP 519 9.451 2.807 -6.341 379 HZ3 TRP 519 3HZ TRP 519 7.257 -0.839 -6.652 380 HH2 TRP 519 HH TRP 519 8.691 0.869 -7.645 381 H PHE 520 H PHE 520 3.712 -0.450 -1.564 382 HA PHE 520 HA PHE 520 3.476 -1.052 1.268 383 HB2 PHE 520 1HB PHE 520 0.956 -1.165 1.070 384 HB3 PHE 520 2HB PHE 520 1.641 0.457 1.076 385 HD1 PHE 520 1HD PHE 520 0.176 -2.165 -1.064 386 HD2 PHE 520 2HD PHE 520 1.372 1.910 -0.767 387 HE1 PHE 520 1HE PHE 520 -0.986 -1.673 -3.177 388 HE2 PHE 520 2HE PHE 520 0.211 2.407 -2.878 389 HZ PHE 520 HZ PHE 520 -0.970 0.615 -4.086 390 HA PRO 521 HA PRO 521 3.329 -5.209 -0.127 391 HB2 PRO 521 1HB PRO 521 1.767 -6.375 1.763 392 HB3 PRO 521 2HB PRO 521 3.421 -5.839 2.080 393 HG2 PRO 521 1HG PRO 521 0.834 -4.473 2.714 394 HG3 PRO 521 2HG PRO 521 2.285 -4.641 3.718 395 HD2 PRO 521 1HD PRO 521 1.712 -2.374 2.353 396 HD3 PRO 521 2HD PRO 521 3.377 -2.914 2.649 397 H ALA 522 H ALA 522 2.275 -5.686 -1.957 398 HA ALA 522 HA ALA 522 -0.339 -5.004 -2.614 399 HB1 ALA 522 1HB ALA 522 1.381 -5.673 -4.245 400 HB2 ALA 522 2HB ALA 522 1.237 -7.341 -3.686 401 HB3 ALA 522 3HB ALA 522 -0.134 -6.550 -4.464 402 H ASP 523 H ASP 523 0.869 -7.645 -0.727 403 HA ASP 523 HA ASP 523 -1.373 -9.367 -0.954 404 HB2 ASP 523 1HB ASP 523 1.014 -9.859 -0.050 405 HB3 ASP 523 2HB ASP 523 0.382 -9.262 1.482 406 H CYS 524 H CYS 524 -1.049 -6.362 0.470 407 HA CYS 524 HA CYS 524 -3.273 -6.890 2.330 408 HB2 CYS 524 1HB CYS 524 -1.257 -4.638 2.446 409 HB3 CYS 524 2HB CYS 524 -2.526 -4.960 3.621 410 HG CYS 524 HG CYS 524 -0.777 -7.688 3.358 411 H VAL 525 H VAL 525 -2.955 -5.982 -0.658 412 HA VAL 525 HA VAL 525 -5.049 -3.931 -0.471 413 HB VAL 525 HB VAL 525 -4.093 -2.564 -2.147 414 HG11 VAL 525 1HG1 VAL 525 -2.986 -2.750 0.264 415 HG12 VAL 525 2HG1 VAL 525 -1.576 -3.178 -0.707 416 HG13 VAL 525 3HG1 VAL 525 -2.389 -1.634 -0.964 417 HG21 VAL 525 1HG2 VAL 525 -3.081 -3.633 -3.832 418 HG22 VAL 525 2HG2 VAL 525 -1.619 -3.519 -2.853 419 HG23 VAL 525 3HG2 VAL 525 -2.600 -4.984 -2.804 420 H GLU 526 H GLU 526 -6.461 -3.824 -2.289 421 HA GLU 526 HA GLU 526 -6.229 -5.851 -4.349 422 HB2 GLU 526 1HB GLU 526 -8.398 -6.867 -3.884 423 HB3 GLU 526 2HB GLU 526 -7.312 -7.073 -2.519 424 HG2 GLU 526 1HG GLU 526 -8.422 -5.359 -1.285 425 HG3 GLU 526 2HG GLU 526 -9.398 -4.915 -2.684 426 H GLU 527 H GLU 527 -7.259 -5.295 -6.210 427 HA GLU 527 HA GLU 527 -7.911 -2.671 -6.738 428 HB2 GLU 527 1HB GLU 527 -9.024 -5.093 -8.164 429 HB3 GLU 527 2HB GLU 527 -8.918 -3.463 -8.813 430 HG2 GLU 527 1HG GLU 527 -6.709 -3.629 -9.257 431 HG3 GLU 527 2HG GLU 527 -6.397 -4.676 -7.873 432 H VAL 528 H VAL 528 -9.961 -1.671 -7.285 433 HA VAL 528 HA VAL 528 -11.811 -1.626 -5.274 434 HB VAL 528 HB VAL 528 -13.437 -0.718 -7.010 435 HG11 VAL 528 1HG1 VAL 528 -10.839 0.722 -7.239 436 HG12 VAL 528 2HG1 VAL 528 -12.454 1.352 -6.908 437 HG13 VAL 528 3HG1 VAL 528 -11.560 0.509 -5.644 438 HG21 VAL 528 1HG2 VAL 528 -13.009 -0.864 -9.193 439 HG22 VAL 528 2HG2 VAL 528 -11.345 -0.321 -8.981 440 HG23 VAL 528 3HG2 VAL 528 -11.749 -2.025 -8.774 441 H GLN 529 H GLN 529 -12.762 -3.409 -4.477 442 HA GLN 529 HA GLN 529 -14.324 -5.060 -6.349 443 HB2 GLN 529 1HB GLN 529 -12.530 -5.869 -4.099 444 HB3 GLN 529 2HB GLN 529 -13.934 -6.860 -4.468 445 HG2 GLN 529 1HG GLN 529 -11.878 -6.096 -6.521 446 HG3 GLN 529 2HG GLN 529 -11.775 -7.559 -5.543 447 HE21 GLN 529 1HE2 GLN 529 -14.289 -7.318 -8.704 448 HE22 GLN 529 2HE2 GLN 529 -13.373 -5.961 -8.152 449 H MET 530 H MET 530 -14.646 -2.775 -4.138 450 HA MET 530 HA MET 530 -17.013 -3.997 -2.879 451 HB2 MET 530 1HB MET 530 -15.005 -3.094 -1.466 452 HB3 MET 530 2HB MET 530 -15.705 -1.520 -1.816 453 HG2 MET 530 1HG MET 530 -17.480 -3.647 -0.749 454 HG3 MET 530 2HG MET 530 -16.343 -2.868 0.348 455 HE1 MET 530 1HE MET 530 -16.643 0.507 -0.917 456 HE2 MET 530 2HE MET 530 -17.322 0.629 0.707 457 HE3 MET 530 3HE MET 530 -15.970 -0.460 0.396 Start of MODEL 10 1 H1 MET 470 H MET 470 -16.650 11.796 -7.027 2 HA MET 470 HA MET 470 -16.179 8.928 -7.198 3 HB2 MET 470 1HB MET 470 -18.419 10.037 -7.687 4 HB3 MET 470 2HB MET 470 -17.689 10.640 -9.168 5 HG2 MET 470 1HG MET 470 -18.789 8.724 -9.850 6 HG3 MET 470 2HG MET 470 -17.122 8.187 -9.652 7 HE1 MET 470 1HE MET 470 -20.437 7.349 -9.436 8 HE2 MET 470 2HE MET 470 -20.685 6.214 -8.109 9 HE3 MET 470 3HE MET 470 -20.824 7.950 -7.824 10 H VAL 471 H VAL 471 -14.405 8.196 -8.150 11 HA VAL 471 HA VAL 471 -13.367 9.639 -10.498 12 HB VAL 471 HB VAL 471 -11.817 10.112 -8.747 13 HG11 VAL 471 1HG1 VAL 471 -10.760 7.670 -7.915 14 HG12 VAL 471 2HG1 VAL 471 -11.759 8.776 -6.970 15 HG13 VAL 471 3HG1 VAL 471 -12.510 7.455 -7.865 16 HG21 VAL 471 1HG2 VAL 471 -10.020 9.683 -10.001 17 HG22 VAL 471 2HG2 VAL 471 -10.211 7.939 -9.827 18 HG23 VAL 471 3HG2 VAL 471 -11.113 8.804 -11.070 19 HA PRO 472 HA PRO 472 -14.283 5.307 -11.741 20 HB2 PRO 472 1HB PRO 472 -15.068 5.973 -14.253 21 HB3 PRO 472 2HB PRO 472 -16.157 6.022 -12.861 22 HG2 PRO 472 1HG PRO 472 -14.672 8.259 -14.185 23 HG3 PRO 472 2HG PRO 472 -16.347 8.218 -13.602 24 HD2 PRO 472 1HD PRO 472 -14.344 9.379 -12.197 25 HD3 PRO 472 2HD PRO 472 -15.727 8.589 -11.413 26 H GLY 473 H GLY 473 -12.016 4.857 -11.659 27 HA2 GLY 473 1HA GLY 473 -10.830 4.615 -14.268 28 HA3 GLY 473 2HA GLY 473 -9.995 5.775 -13.245 29 H ARG 474 H ARG 474 -8.689 5.064 -11.612 30 HA ARG 474 HA ARG 474 -8.516 2.151 -11.225 31 HB2 ARG 474 1HB ARG 474 -6.644 3.585 -12.590 32 HB3 ARG 474 2HB ARG 474 -5.999 3.659 -10.955 33 HG2 ARG 474 1HG ARG 474 -5.050 1.701 -11.417 34 HG3 ARG 474 2HG ARG 474 -6.662 1.013 -11.215 35 HD2 ARG 474 1HD ARG 474 -6.887 0.601 -13.409 36 HD3 ARG 474 2HD ARG 474 -6.179 2.149 -13.866 37 HE ARG 474 HE ARG 474 -4.825 -0.381 -13.636 38 HH11 ARG 474 1HH1 ARG 474 -2.803 3.042 -14.099 39 HH12 ARG 474 2HH1 ARG 474 -4.470 3.082 -13.633 40 HH21 ARG 474 1HH2 ARG 474 -1.757 1.034 -14.450 41 HH22 ARG 474 2HH2 ARG 474 -2.630 -0.447 -14.250 42 H LYS 475 H LYS 475 -9.080 1.738 -9.198 43 HA LYS 475 HA LYS 475 -7.891 3.341 -7.051 44 HB2 LYS 475 1HB LYS 475 -10.012 4.318 -7.081 45 HB3 LYS 475 2HB LYS 475 -10.810 2.805 -7.490 46 HG2 LYS 475 1HG LYS 475 -10.762 2.035 -5.315 47 HG3 LYS 475 2HG LYS 475 -9.429 3.098 -4.859 48 HD2 LYS 475 1HD LYS 475 -11.532 3.845 -3.866 49 HD3 LYS 475 2HD LYS 475 -10.914 5.034 -5.015 50 HE2 LYS 475 1HE LYS 475 -12.481 4.328 -6.684 51 HE3 LYS 475 2HE LYS 475 -12.995 2.961 -5.695 52 HZ1 LYS 475 1HZ LYS 475 -14.317 4.254 -4.444 53 HZ2 LYS 475 2HZ LYS 475 -14.278 5.291 -5.779 54 HZ3 LYS 475 3HZ LYS 475 -13.257 5.573 -4.459 55 H PHE 476 H PHE 476 -7.554 2.234 -5.108 56 HA PHE 476 HA PHE 476 -8.077 -0.662 -5.181 57 HB2 PHE 476 1HB PHE 476 -5.511 0.790 -4.710 58 HB3 PHE 476 2HB PHE 476 -5.805 -0.698 -3.818 59 HD1 PHE 476 1HD PHE 476 -5.314 -2.741 -4.786 60 HD2 PHE 476 2HD PHE 476 -5.793 0.681 -7.270 61 HE1 PHE 476 1HE PHE 476 -4.575 -4.054 -6.731 62 HE2 PHE 476 2HE PHE 476 -5.055 -0.626 -9.220 63 HZ PHE 476 HZ PHE 476 -4.445 -2.997 -8.951 64 H ILE 477 H ILE 477 -7.968 -1.692 -3.023 65 HA ILE 477 HA ILE 477 -8.565 0.152 -0.818 66 HB ILE 477 HB ILE 477 -10.701 -0.673 -1.827 67 HG12 ILE 477 1HG1 ILE 477 -11.486 -1.700 0.489 68 HG13 ILE 477 2HG1 ILE 477 -9.888 -1.169 1.005 69 HG21 ILE 477 1HG2 ILE 477 -10.427 -3.322 -0.601 70 HG22 ILE 477 2HG2 ILE 477 -11.172 -2.847 -2.127 71 HG23 ILE 477 3HG2 ILE 477 -9.426 -3.066 -2.031 72 HD11 ILE 477 1HD1 ILE 477 -11.065 0.691 1.513 73 HD12 ILE 477 2HD1 ILE 477 -10.688 1.072 -0.168 74 HD13 ILE 477 3HD1 ILE 477 -12.268 0.413 0.254 75 H ALA 478 H ALA 478 -7.717 -0.427 1.103 76 HA ALA 478 HA ALA 478 -5.933 -2.691 1.172 77 HB1 ALA 478 1HB ALA 478 -4.873 -1.133 2.382 78 HB2 ALA 478 2HB ALA 478 -6.363 -0.267 2.755 79 HB3 ALA 478 3HB ALA 478 -5.903 -1.680 3.704 80 H VAL 479 H VAL 479 -6.252 -4.608 2.135 81 HA VAL 479 HA VAL 479 -8.826 -5.032 3.490 82 HB VAL 479 HB VAL 479 -8.339 -7.482 3.055 83 HG11 VAL 479 1HG1 VAL 479 -9.598 -5.602 1.539 84 HG12 VAL 479 2HG1 VAL 479 -8.470 -6.301 0.376 85 HG13 VAL 479 3HG1 VAL 479 -9.623 -7.336 1.221 86 HG21 VAL 479 1HG2 VAL 479 -5.850 -6.505 2.317 87 HG22 VAL 479 2HG2 VAL 479 -6.455 -8.141 2.060 88 HG23 VAL 479 3HG2 VAL 479 -6.621 -6.931 0.788 89 H LYS 480 H LYS 480 -5.420 -5.050 3.938 90 HA LYS 480 HA LYS 480 -5.795 -6.126 6.655 91 HB2 LYS 480 1HB LYS 480 -3.180 -6.400 5.216 92 HB3 LYS 480 2HB LYS 480 -3.815 -7.348 6.553 93 HG2 LYS 480 1HG LYS 480 -4.722 -7.457 3.685 94 HG3 LYS 480 2HG LYS 480 -3.783 -8.678 4.547 95 HD2 LYS 480 1HD LYS 480 -6.130 -8.129 6.056 96 HD3 LYS 480 2HD LYS 480 -6.605 -8.405 4.380 97 HE2 LYS 480 1HE LYS 480 -4.841 -10.236 6.002 98 HE3 LYS 480 2HE LYS 480 -6.568 -10.473 5.737 99 HZ1 LYS 480 1HZ LYS 480 -5.995 -10.418 3.285 100 HZ2 LYS 480 2HZ LYS 480 -5.516 -11.793 4.144 101 HZ3 LYS 480 3HZ LYS 480 -4.379 -10.602 3.753 102 H ALA 481 H ALA 481 -3.497 -5.578 7.851 103 HA ALA 481 HA ALA 481 -3.263 -2.652 7.626 104 HB1 ALA 481 1HB ALA 481 -2.659 -2.629 9.973 105 HB2 ALA 481 2HB ALA 481 -4.194 -3.469 9.750 106 HB3 ALA 481 3HB ALA 481 -2.717 -4.391 10.028 107 H HIS 482 H HIS 482 -1.152 -1.720 8.172 108 HA HIS 482 HA HIS 482 1.201 -3.308 8.215 109 HB2 HIS 482 1HB HIS 482 0.532 -3.594 5.829 110 HB3 HIS 482 2HB HIS 482 0.664 -1.849 5.620 111 HD1 HIS 482 1HD HIS 482 2.797 -4.883 6.328 112 HD2 HIS 482 2HD HIS 482 3.209 -0.915 5.167 113 HE1 HIS 482 1HE HIS 482 5.211 -4.622 5.675 114 H SER 483 H SER 483 3.117 -2.054 8.433 115 HA SER 483 HA SER 483 2.626 0.817 8.885 116 HB2 SER 483 1HB SER 483 4.799 -0.189 10.500 117 HB3 SER 483 2HB SER 483 3.327 0.638 11.007 118 HG SER 483 HG SER 483 3.528 -1.502 11.864 119 HA PRO 484 HA PRO 484 6.041 1.697 6.273 120 HB2 PRO 484 1HB PRO 484 7.038 3.938 7.438 121 HB3 PRO 484 2HB PRO 484 5.518 3.918 6.535 122 HG2 PRO 484 1HG PRO 484 5.966 3.809 9.494 123 HG3 PRO 484 2HG PRO 484 4.767 4.741 8.578 124 HD2 PRO 484 1HD PRO 484 4.158 2.425 9.840 125 HD3 PRO 484 2HD PRO 484 3.360 2.931 8.337 126 H GLN 485 H GLN 485 7.676 0.253 6.351 127 HA GLN 485 HA GLN 485 9.131 -0.585 8.533 128 HB2 GLN 485 1HB GLN 485 9.777 -0.446 5.607 129 HB3 GLN 485 2HB GLN 485 10.980 -1.021 6.753 130 HG2 GLN 485 1HG GLN 485 10.061 -3.028 6.740 131 HG3 GLN 485 2HG GLN 485 8.531 -2.350 7.294 132 HE21 GLN 485 1HE2 GLN 485 7.050 -2.272 4.090 133 HE22 GLN 485 2HE2 GLN 485 7.075 -1.516 5.644 134 H GLY 486 H GLY 486 9.530 2.309 6.613 135 HA2 GLY 486 1HA GLY 486 10.836 3.810 8.493 136 HA3 GLY 486 2HA GLY 486 12.124 2.968 7.643 137 H GLU 487 H GLU 487 12.177 3.224 5.264 138 HA GLU 487 HA GLU 487 11.071 5.818 4.418 139 HB2 GLU 487 1HB GLU 487 13.769 4.833 3.524 140 HB3 GLU 487 2HB GLU 487 13.102 6.454 3.403 141 HG2 GLU 487 1HG GLU 487 13.148 6.531 5.922 142 HG3 GLU 487 2HG GLU 487 14.095 5.045 5.859 143 H GLY 488 H GLY 488 9.824 5.645 2.683 144 HA2 GLY 488 1HA GLY 488 9.401 5.062 0.428 145 HA3 GLY 488 2HA GLY 488 10.535 3.729 0.585 146 H GLU 489 H GLU 489 8.175 4.206 3.066 147 HA GLU 489 HA GLU 489 6.362 2.242 1.893 148 HB2 GLU 489 1HB GLU 489 7.606 1.856 4.622 149 HB3 GLU 489 2HB GLU 489 6.411 0.812 3.866 150 HG2 GLU 489 1HG GLU 489 8.270 -0.378 3.383 151 HG3 GLU 489 2HG GLU 489 8.258 0.684 1.976 152 H ILE 490 H ILE 490 4.268 2.385 2.622 153 HA ILE 490 HA ILE 490 3.725 4.538 4.563 154 HB ILE 490 HB ILE 490 1.471 4.678 3.311 155 HG12 ILE 490 1HG1 ILE 490 3.162 3.511 1.094 156 HG13 ILE 490 2HG1 ILE 490 1.938 2.598 1.969 157 HG21 ILE 490 1HG2 ILE 490 3.821 5.645 1.720 158 HG22 ILE 490 2HG2 ILE 490 2.273 6.440 2.006 159 HG23 ILE 490 3HG2 ILE 490 3.451 6.307 3.313 160 HD11 ILE 490 1HD1 ILE 490 0.457 3.300 0.490 161 HD12 ILE 490 2HD1 ILE 490 0.673 4.937 1.111 162 HD13 ILE 490 3HD1 ILE 490 1.640 4.376 -0.253 163 HA PRO 491 HA PRO 491 1.406 1.732 7.016 164 HB2 PRO 491 1HB PRO 491 -0.592 3.325 7.931 165 HB3 PRO 491 2HB PRO 491 1.079 3.464 8.490 166 HG2 PRO 491 1HG PRO 491 -0.379 5.099 6.449 167 HG3 PRO 491 2HG PRO 491 0.723 5.633 7.731 168 HD2 PRO 491 1HD PRO 491 1.504 5.381 5.152 169 HD3 PRO 491 2HD PRO 491 2.605 5.091 6.515 170 H LEU 492 H LEU 492 -0.789 0.802 7.352 171 HA LEU 492 HA LEU 492 -2.679 1.196 5.176 172 HB2 LEU 492 1HB LEU 492 -1.228 -1.386 5.693 173 HB3 LEU 492 2HB LEU 492 -2.761 -1.315 4.826 174 HG LEU 492 HG LEU 492 -0.149 -0.072 3.970 175 HD11 LEU 492 1HD1 LEU 492 -1.659 -2.526 3.203 176 HD12 LEU 492 2HD1 LEU 492 0.074 -2.292 3.430 177 HD13 LEU 492 3HD1 LEU 492 -0.716 -1.672 1.980 178 HD21 LEU 492 1HD2 LEU 492 -2.863 0.584 3.278 179 HD22 LEU 492 2HD2 LEU 492 -1.999 -0.038 1.872 180 HD23 LEU 492 3HD2 LEU 492 -1.359 1.344 2.761 181 H HIS 493 H HIS 493 -4.768 0.504 5.646 182 HA HIS 493 HA HIS 493 -5.266 -0.842 8.179 183 HB2 HIS 493 1HB HIS 493 -5.712 2.021 7.720 184 HB3 HIS 493 2HB HIS 493 -7.134 1.171 8.317 185 HD1 HIS 493 1HD HIS 493 -7.238 0.792 10.772 186 HD2 HIS 493 2HD HIS 493 -3.385 1.661 9.483 187 HE1 HIS 493 1HE HIS 493 -5.859 1.000 12.865 188 H ARG 494 H ARG 494 -7.057 -2.095 8.138 189 HA ARG 494 HA ARG 494 -8.248 -2.801 5.731 190 HB2 ARG 494 1HB ARG 494 -9.936 -3.978 7.114 191 HB3 ARG 494 2HB ARG 494 -8.286 -4.288 7.637 192 HG2 ARG 494 1HG ARG 494 -8.747 -2.322 9.291 193 HG3 ARG 494 2HG ARG 494 -10.436 -2.722 8.976 194 HD2 ARG 494 1HD ARG 494 -9.083 -5.156 9.419 195 HD3 ARG 494 2HD ARG 494 -8.554 -4.040 10.678 196 HE ARG 494 HE ARG 494 -10.638 -4.166 11.608 197 HH11 ARG 494 1HH1 ARG 494 -12.422 -5.899 8.470 198 HH12 ARG 494 2HH1 ARG 494 -10.785 -5.348 8.336 199 HH21 ARG 494 1HH2 ARG 494 -13.564 -5.636 10.439 200 HH22 ARG 494 2HH2 ARG 494 -12.794 -4.888 11.796 201 H GLY 495 H GLY 495 -9.620 -1.740 4.471 202 HA2 GLY 495 1HA GLY 495 -11.821 -0.792 4.169 203 HA3 GLY 495 2HA GLY 495 -11.654 -0.025 5.742 204 H GLU 496 H GLU 496 -8.735 0.511 4.708 205 HA GLU 496 HA GLU 496 -9.274 3.199 3.903 206 HB2 GLU 496 1HB GLU 496 -6.707 1.614 4.052 207 HB3 GLU 496 2HB GLU 496 -6.778 3.320 3.634 208 HG2 GLU 496 1HG GLU 496 -7.375 1.998 6.248 209 HG3 GLU 496 2HG GLU 496 -6.256 3.313 5.894 210 H ALA 497 H ALA 497 -8.661 4.204 1.930 211 HA ALA 497 HA ALA 497 -8.896 2.401 -0.373 212 HB1 ALA 497 1HB ALA 497 -9.617 4.327 -1.635 213 HB2 ALA 497 2HB ALA 497 -10.555 4.218 -0.145 214 HB3 ALA 497 3HB ALA 497 -9.248 5.395 -0.280 215 H VAL 498 H VAL 498 -7.024 1.812 -1.246 216 HA VAL 498 HA VAL 498 -4.741 3.644 -1.155 217 HB VAL 498 HB VAL 498 -4.580 0.853 -2.229 218 HG11 VAL 498 1HG1 VAL 498 -2.653 2.580 -0.679 219 HG12 VAL 498 2HG1 VAL 498 -2.313 0.979 -1.338 220 HG13 VAL 498 3HG1 VAL 498 -2.640 2.330 -2.424 221 HG21 VAL 498 1HG2 VAL 498 -4.108 0.053 0.066 222 HG22 VAL 498 2HG2 VAL 498 -4.627 1.620 0.689 223 HG23 VAL 498 3HG2 VAL 498 -5.778 0.581 -0.151 224 H LYS 499 H LYS 499 -3.441 3.991 -3.051 225 HA LYS 499 HA LYS 499 -4.898 3.634 -5.585 226 HB2 LYS 499 1HB LYS 499 -4.723 6.036 -4.408 227 HB3 LYS 499 2HB LYS 499 -3.184 6.040 -5.261 228 HG2 LYS 499 1HG LYS 499 -4.544 7.016 -6.817 229 HG3 LYS 499 2HG LYS 499 -4.657 5.323 -7.302 230 HD2 LYS 499 1HD LYS 499 -6.877 5.866 -7.277 231 HD3 LYS 499 2HD LYS 499 -6.683 5.343 -5.602 232 HE2 LYS 499 1HE LYS 499 -7.890 7.388 -5.558 233 HE3 LYS 499 2HE LYS 499 -6.253 7.744 -5.009 234 HZ1 LYS 499 1HZ LYS 499 -6.128 8.126 -7.696 235 HZ2 LYS 499 2HZ LYS 499 -6.286 9.345 -6.535 236 HZ3 LYS 499 3HZ LYS 499 -7.660 8.727 -7.304 237 H VAL 500 H VAL 500 -3.683 1.989 -6.401 238 HA VAL 500 HA VAL 500 -0.865 1.812 -6.191 239 HB VAL 500 HB VAL 500 -2.705 0.487 -8.188 240 HG11 VAL 500 1HG1 VAL 500 -0.596 -1.196 -7.836 241 HG12 VAL 500 2HG1 VAL 500 -0.764 -0.058 -9.174 242 HG13 VAL 500 3HG1 VAL 500 0.192 0.380 -7.758 243 HG21 VAL 500 1HG2 VAL 500 -2.829 -1.353 -6.707 244 HG22 VAL 500 2HG2 VAL 500 -1.568 -0.696 -5.666 245 HG23 VAL 500 3HG2 VAL 500 -3.150 0.080 -5.730 246 H LEU 501 H LEU 501 0.737 2.563 -7.456 247 HA LEU 501 HA LEU 501 0.003 3.924 -9.960 248 HB2 LEU 501 1HB LEU 501 1.363 4.974 -7.592 249 HB3 LEU 501 2HB LEU 501 2.211 5.290 -9.103 250 HG LEU 501 HG LEU 501 0.002 6.259 -9.942 251 HD11 LEU 501 1HD1 LEU 501 -1.554 5.456 -8.368 252 HD12 LEU 501 2HD1 LEU 501 -1.393 7.181 -8.040 253 HD13 LEU 501 3HD1 LEU 501 -0.581 6.007 -7.005 254 HD21 LEU 501 1HD2 LEU 501 0.749 8.062 -7.800 255 HD22 LEU 501 2HD2 LEU 501 0.942 8.238 -9.544 256 HD23 LEU 501 3HD2 LEU 501 2.156 7.370 -8.606 257 H SER 502 H SER 502 2.698 2.573 -8.072 258 HA SER 502 HA SER 502 3.899 1.679 -10.611 259 HB2 SER 502 1HB SER 502 5.102 3.035 -8.265 260 HB3 SER 502 2HB SER 502 6.045 1.727 -8.979 261 HG SER 502 HG SER 502 6.276 3.990 -9.840 262 H ILE 503 H ILE 503 5.332 -0.244 -10.357 263 HA ILE 503 HA ILE 503 4.385 -2.036 -8.221 264 HB ILE 503 HB ILE 503 4.834 -2.836 -11.099 265 HG12 ILE 503 1HG1 ILE 503 2.793 -1.487 -10.806 266 HG13 ILE 503 2HG1 ILE 503 2.411 -3.160 -11.199 267 HG21 ILE 503 1HG2 ILE 503 4.920 -4.930 -10.374 268 HG22 ILE 503 2HG2 ILE 503 4.843 -4.349 -8.711 269 HG23 ILE 503 3HG2 ILE 503 3.358 -4.738 -9.578 270 HD11 ILE 503 1HD1 ILE 503 2.411 -2.076 -8.399 271 HD12 ILE 503 2HD1 ILE 503 0.984 -2.128 -9.434 272 HD13 ILE 503 3HD1 ILE 503 1.784 -3.625 -8.960 273 H GLY 504 H GLY 504 5.933 -3.119 -7.160 274 HA2 GLY 504 1HA GLY 504 8.698 -2.655 -7.931 275 HA3 GLY 504 2HA GLY 504 8.139 -3.379 -6.430 276 H GLU 505 H GLU 505 8.908 -5.369 -6.240 277 HA GLU 505 HA GLU 505 9.673 -6.936 -8.513 278 HB2 GLU 505 1HB GLU 505 9.753 -7.277 -5.553 279 HB3 GLU 505 2HB GLU 505 9.870 -8.717 -6.554 280 HG2 GLU 505 1HG GLU 505 11.695 -7.259 -7.796 281 HG3 GLU 505 2HG GLU 505 11.778 -6.477 -6.219 282 H GLY 506 H GLY 506 6.834 -6.630 -6.573 283 HA2 GLY 506 1HA GLY 506 4.965 -7.724 -8.078 284 HA3 GLY 506 2HA GLY 506 5.755 -9.185 -7.503 285 H GLY 507 H GLY 507 6.358 -7.945 -4.880 286 HA2 GLY 507 1HA GLY 507 3.661 -8.264 -3.737 287 HA3 GLY 507 2HA GLY 507 5.165 -8.609 -2.895 288 H PHE 508 H PHE 508 6.022 -5.923 -4.325 289 HA PHE 508 HA PHE 508 4.803 -4.154 -2.309 290 HB2 PHE 508 1HB PHE 508 7.452 -4.943 -2.351 291 HB3 PHE 508 2HB PHE 508 7.492 -3.378 -3.157 292 HD1 PHE 508 1HD PHE 508 5.537 -4.733 -0.281 293 HD2 PHE 508 2HD PHE 508 8.216 -1.752 -1.715 294 HE1 PHE 508 1HE PHE 508 5.453 -3.610 1.907 295 HE2 PHE 508 2HE PHE 508 8.137 -0.625 0.471 296 HZ PHE 508 HZ PHE 508 6.755 -1.555 2.286 297 H TRP 509 H TRP 509 3.559 -2.734 -3.325 298 HA TRP 509 HA TRP 509 4.481 -1.653 -5.907 299 HB2 TRP 509 1HB TRP 509 1.631 -1.795 -4.907 300 HB3 TRP 509 2HB TRP 509 2.165 -1.297 -6.509 301 HD1 TRP 509 HD TRP 509 4.328 -3.932 -6.449 302 HE1 TRP 509 1HE TRP 509 3.323 -6.189 -7.169 303 HE3 TRP 509 3HE TRP 509 -0.630 -2.848 -5.830 304 HZ2 TRP 509 2HZ TRP 509 0.768 -7.356 -7.440 305 HZ3 TRP 509 3HZ TRP 509 -2.291 -4.590 -6.342 306 HH2 TRP 509 HH TRP 509 -1.605 -6.796 -7.130 307 H GLU 510 H GLU 510 4.226 0.573 -6.307 308 HA GLU 510 HA GLU 510 4.202 2.189 -3.868 309 HB2 GLU 510 1HB GLU 510 6.030 2.996 -4.905 310 HB3 GLU 510 2HB GLU 510 5.538 2.357 -6.466 311 HG2 GLU 510 1HG GLU 510 5.697 4.751 -6.579 312 HG3 GLU 510 2HG GLU 510 4.013 4.260 -6.748 313 H GLY 511 H GLY 511 2.607 3.567 -3.385 314 HA2 GLY 511 1HA GLY 511 0.921 4.714 -5.429 315 HA3 GLY 511 2HA GLY 511 0.105 3.523 -4.427 316 H THR 512 H THR 512 -1.303 5.254 -3.766 317 HA THR 512 HA THR 512 -0.158 6.767 -1.530 318 HB THR 512 HB THR 512 -2.019 7.981 -3.582 319 HG1 THR 512 1HG THR 512 0.660 8.741 -3.010 320 HG21 THR 512 1HG2 THR 512 -0.627 9.320 -1.265 321 HG22 THR 512 2HG2 THR 512 -2.295 8.749 -1.205 322 HG23 THR 512 3HG2 THR 512 -1.836 10.016 -2.343 323 H VAL 513 H VAL 513 -1.465 6.942 0.234 324 HA VAL 513 HA VAL 513 -4.282 6.221 0.021 325 HB VAL 513 HB VAL 513 -2.857 4.131 0.495 326 HG11 VAL 513 1HG1 VAL 513 -1.554 5.525 2.281 327 HG12 VAL 513 2HG1 VAL 513 -2.888 5.049 3.334 328 HG13 VAL 513 3HG1 VAL 513 -1.890 3.817 2.561 329 HG21 VAL 513 1HG2 VAL 513 -4.995 3.570 0.875 330 HG22 VAL 513 2HG2 VAL 513 -4.567 3.720 2.580 331 HG23 VAL 513 3HG2 VAL 513 -5.336 5.067 1.742 332 H LYS 514 H LYS 514 -5.526 7.358 1.385 333 HA LYS 514 HA LYS 514 -6.111 8.991 2.864 334 HB2 LYS 514 1HB LYS 514 -3.963 7.855 4.647 335 HB3 LYS 514 2HB LYS 514 -5.473 8.620 5.121 336 HG2 LYS 514 1HG LYS 514 -5.122 5.922 3.839 337 HG3 LYS 514 2HG LYS 514 -5.665 6.270 5.483 338 HD2 LYS 514 1HD LYS 514 -7.119 7.011 2.943 339 HD3 LYS 514 2HD LYS 514 -7.543 5.685 4.029 340 HE2 LYS 514 1HE LYS 514 -7.732 7.455 5.850 341 HE3 LYS 514 2HE LYS 514 -7.674 8.644 4.549 342 HZ1 LYS 514 1HZ LYS 514 -9.874 7.164 5.455 343 HZ2 LYS 514 2HZ LYS 514 -9.560 6.705 3.858 344 HZ3 LYS 514 3HZ LYS 514 -9.828 8.333 4.234 345 H GLY 515 H GLY 515 -3.915 9.569 0.974 346 HA2 GLY 515 1HA GLY 515 -2.952 11.705 0.617 347 HA3 GLY 515 2HA GLY 515 -2.906 11.946 2.357 348 H ARG 516 H ARG 516 -1.717 9.306 2.849 349 HA ARG 516 HA ARG 516 1.011 10.070 2.686 350 HB2 ARG 516 1HB ARG 516 -0.250 7.414 3.390 351 HB3 ARG 516 2HB ARG 516 1.453 7.798 3.600 352 HG2 ARG 516 1HG ARG 516 0.890 8.416 5.661 353 HG3 ARG 516 2HG ARG 516 0.208 9.859 4.909 354 HD2 ARG 516 1HD ARG 516 -1.936 8.539 4.643 355 HD3 ARG 516 2HD ARG 516 -1.212 7.329 5.702 356 HE ARG 516 HE ARG 516 -2.300 9.868 6.468 357 HH11 ARG 516 1HH1 ARG 516 0.020 7.795 8.987 358 HH12 ARG 516 2HH1 ARG 516 0.008 7.398 7.301 359 HH21 ARG 516 1HH2 ARG 516 -1.289 9.502 9.775 360 HH22 ARG 516 2HH2 ARG 516 -2.292 10.400 8.686 361 H THR 517 H THR 517 2.656 9.342 1.391 362 HA THR 517 HA THR 517 1.861 7.704 -0.929 363 HB THR 517 HB THR 517 3.842 9.989 -0.872 364 HG1 THR 517 1HG THR 517 2.244 11.143 -1.654 365 HG21 THR 517 1HG2 THR 517 3.151 7.960 -2.975 366 HG22 THR 517 2HG2 THR 517 4.740 8.488 -2.422 367 HG23 THR 517 3HG2 THR 517 3.751 9.559 -3.413 368 H GLY 518 H GLY 518 3.273 6.132 -1.645 369 HA2 GLY 518 1HA GLY 518 5.880 5.682 -1.279 370 HA3 GLY 518 2HA GLY 518 5.249 5.275 0.309 371 H TRP 519 H TRP 519 6.237 3.164 -0.284 372 HA TRP 519 HA TRP 519 4.631 1.595 -2.161 373 HB2 TRP 519 1HB TRP 519 7.159 0.838 -0.680 374 HB3 TRP 519 2HB TRP 519 6.368 -0.115 -1.932 375 HD1 TRP 519 HD TRP 519 8.078 3.350 -1.570 376 HE1 TRP 519 1HE TRP 519 9.210 3.910 -3.812 377 HE3 TRP 519 3HE TRP 519 6.541 -0.697 -4.290 378 HZ2 TRP 519 2HZ TRP 519 9.423 2.786 -6.393 379 HZ3 TRP 519 3HZ TRP 519 7.252 -0.879 -6.638 380 HH2 TRP 519 HH TRP 519 8.663 0.827 -7.666 381 H PHE 520 H PHE 520 3.707 -0.421 -1.556 382 HA PHE 520 HA PHE 520 3.511 -1.040 1.278 383 HB2 PHE 520 1HB PHE 520 0.994 -1.131 1.126 384 HB3 PHE 520 2HB PHE 520 1.684 0.488 1.099 385 HD1 PHE 520 1HD PHE 520 0.239 -2.169 -1.023 386 HD2 PHE 520 2HD PHE 520 1.318 1.937 -0.714 387 HE1 PHE 520 1HE PHE 520 -0.961 -1.700 -3.119 388 HE2 PHE 520 2HE PHE 520 0.119 2.413 -2.809 389 HZ PHE 520 HZ PHE 520 -1.024 0.593 -4.014 390 HA PRO 521 HA PRO 521 3.327 -5.190 -0.132 391 HB2 PRO 521 1HB PRO 521 1.789 -6.356 1.777 392 HB3 PRO 521 2HB PRO 521 3.451 -5.830 2.071 393 HG2 PRO 521 1HG PRO 521 0.881 -4.455 2.751 394 HG3 PRO 521 2HG PRO 521 2.347 -4.633 3.731 395 HD2 PRO 521 1HD PRO 521 1.763 -2.358 2.383 396 HD3 PRO 521 2HD PRO 521 3.429 -2.908 2.651 397 H ALA 522 H ALA 522 2.242 -5.649 -1.950 398 HA ALA 522 HA ALA 522 -0.385 -4.957 -2.552 399 HB1 ALA 522 1HB ALA 522 1.326 -5.612 -4.212 400 HB2 ALA 522 2HB ALA 522 1.153 -7.288 -3.688 401 HB3 ALA 522 3HB ALA 522 -0.208 -6.453 -4.434 402 H ASP 523 H ASP 523 0.842 -7.558 -0.653 403 HA ASP 523 HA ASP 523 -1.358 -9.333 -0.888 404 HB2 ASP 523 1HB ASP 523 0.949 -9.901 -0.012 405 HB3 ASP 523 2HB ASP 523 0.494 -9.090 1.484 406 H CYS 524 H CYS 524 -1.134 -6.301 0.484 407 HA CYS 524 HA CYS 524 -3.375 -6.853 2.316 408 HB2 CYS 524 1HB CYS 524 -1.430 -4.542 2.471 409 HB3 CYS 524 2HB CYS 524 -2.677 -4.952 3.643 410 HG CYS 524 HG CYS 524 -1.359 -7.532 4.105 411 H VAL 525 H VAL 525 -2.969 -5.922 -0.668 412 HA VAL 525 HA VAL 525 -5.075 -3.871 -0.527 413 HB VAL 525 HB VAL 525 -4.106 -2.556 -2.227 414 HG11 VAL 525 1HG1 VAL 525 -2.447 -1.625 -1.022 415 HG12 VAL 525 2HG1 VAL 525 -2.892 -2.841 0.177 416 HG13 VAL 525 3HG1 VAL 525 -1.538 -3.132 -0.916 417 HG21 VAL 525 1HG2 VAL 525 -1.689 -3.542 -3.002 418 HG22 VAL 525 2HG2 VAL 525 -2.639 -5.021 -2.843 419 HG23 VAL 525 3HG2 VAL 525 -3.190 -3.729 -3.911 420 H GLU 526 H GLU 526 -6.537 -3.831 -2.282 421 HA GLU 526 HA GLU 526 -6.338 -5.918 -4.298 422 HB2 GLU 526 1HB GLU 526 -8.228 -5.981 -2.018 423 HB3 GLU 526 2HB GLU 526 -8.907 -6.352 -3.597 424 HG2 GLU 526 1HG GLU 526 -7.875 -8.336 -3.722 425 HG3 GLU 526 2HG GLU 526 -6.394 -7.731 -2.981 426 H GLU 527 H GLU 527 -7.293 -5.362 -6.183 427 HA GLU 527 HA GLU 527 -7.921 -2.750 -6.779 428 HB2 GLU 527 1HB GLU 527 -9.038 -5.190 -8.173 429 HB3 GLU 527 2HB GLU 527 -8.894 -3.576 -8.855 430 HG2 GLU 527 1HG GLU 527 -6.673 -3.780 -9.238 431 HG3 GLU 527 2HG GLU 527 -6.413 -4.821 -7.840 432 H VAL 528 H VAL 528 -9.966 -1.766 -7.415 433 HA VAL 528 HA VAL 528 -11.836 -1.596 -5.446 434 HB VAL 528 HB VAL 528 -13.449 -0.786 -7.201 435 HG11 VAL 528 1HG1 VAL 528 -10.980 0.315 -6.335 436 HG12 VAL 528 2HG1 VAL 528 -11.239 0.797 -8.014 437 HG13 VAL 528 3HG1 VAL 528 -12.460 1.157 -6.793 438 HG21 VAL 528 1HG2 VAL 528 -12.370 -0.443 -9.482 439 HG22 VAL 528 2HG2 VAL 528 -11.204 -1.673 -8.994 440 HG23 VAL 528 3HG2 VAL 528 -12.917 -2.075 -9.098 441 H GLN 529 H GLN 529 -13.058 -3.104 -4.537 442 HA GLN 529 HA GLN 529 -14.208 -5.208 -6.248 443 HB2 GLN 529 1HB GLN 529 -14.437 -6.436 -3.991 444 HB3 GLN 529 2HB GLN 529 -12.842 -6.326 -4.721 445 HG2 GLN 529 1HG GLN 529 -12.629 -5.894 -2.391 446 HG3 GLN 529 2HG GLN 529 -12.367 -4.381 -3.257 447 HE21 GLN 529 1HE2 GLN 529 -14.759 -2.706 -1.439 448 HE22 GLN 529 2HE2 GLN 529 -13.303 -2.698 -2.369 449 H MET 530 H MET 530 -16.370 -5.792 -5.975 450 HA MET 530 HA MET 530 -18.590 -5.388 -5.678 451 HB2 MET 530 1HB MET 530 -17.411 -4.626 -3.031 452 HB3 MET 530 2HB MET 530 -19.125 -4.369 -3.327 453 HG2 MET 530 1HG MET 530 -19.189 -6.441 -2.399 454 HG3 MET 530 2HG MET 530 -19.037 -6.875 -4.100 455 HE1 MET 530 1HE MET 530 -18.397 -7.609 -0.954 456 HE2 MET 530 2HE MET 530 -17.484 -9.071 -1.326 457 HE3 MET 530 3HE MET 530 -16.680 -7.698 -0.565 Start of MODEL 11 1 H1 MET 470 H MET 470 -12.858 -0.590 -20.619 2 HA MET 470 HA MET 470 -13.514 2.276 -20.489 3 HB2 MET 470 1HB MET 470 -15.013 -0.174 -19.583 4 HB3 MET 470 2HB MET 470 -15.428 1.434 -19.005 5 HG2 MET 470 1HG MET 470 -16.863 1.289 -20.750 6 HG3 MET 470 2HG MET 470 -15.469 1.966 -21.587 7 HE1 MET 470 1HE MET 470 -15.405 -0.233 -24.518 8 HE2 MET 470 2HE MET 470 -15.927 1.333 -23.897 9 HE3 MET 470 3HE MET 470 -14.276 0.777 -23.614 10 H VAL 471 H VAL 471 -12.406 3.358 -19.009 11 HA VAL 471 HA VAL 471 -11.733 1.994 -16.482 12 HB VAL 471 HB VAL 471 -9.679 2.358 -17.638 13 HG11 VAL 471 1HG1 VAL 471 -11.012 4.720 -18.593 14 HG12 VAL 471 2HG1 VAL 471 -9.427 5.131 -17.936 15 HG13 VAL 471 3HG1 VAL 471 -9.566 3.923 -19.213 16 HG21 VAL 471 1HG2 VAL 471 -9.694 4.725 -15.824 17 HG22 VAL 471 2HG2 VAL 471 -10.019 3.127 -15.153 18 HG23 VAL 471 3HG2 VAL 471 -8.498 3.440 -15.989 19 HA PRO 472 HA PRO 472 -14.498 5.509 -15.404 20 HB2 PRO 472 1HB PRO 472 -15.684 4.213 -13.335 21 HB3 PRO 472 2HB PRO 472 -16.219 4.039 -15.011 22 HG2 PRO 472 1HG PRO 472 -14.476 2.232 -13.381 23 HG3 PRO 472 2HG PRO 472 -15.798 1.814 -14.486 24 HD2 PRO 472 1HD PRO 472 -13.191 1.631 -15.197 25 HD3 PRO 472 2HD PRO 472 -14.472 2.037 -16.357 26 H GLY 473 H GLY 473 -12.573 3.392 -13.307 27 HA2 GLY 473 1HA GLY 473 -11.148 5.504 -12.122 28 HA3 GLY 473 2HA GLY 473 -12.473 5.064 -11.056 29 H ARG 474 H ARG 474 -9.378 4.183 -12.289 30 HA ARG 474 HA ARG 474 -9.399 1.530 -11.150 31 HB2 ARG 474 1HB ARG 474 -8.069 2.383 -13.216 32 HB3 ARG 474 2HB ARG 474 -6.923 2.984 -12.025 33 HG2 ARG 474 1HG ARG 474 -7.771 0.160 -11.772 34 HG3 ARG 474 2HG ARG 474 -6.721 0.576 -13.128 35 HD2 ARG 474 1HD ARG 474 -5.427 1.861 -11.173 36 HD3 ARG 474 2HD ARG 474 -6.170 0.577 -10.220 37 HE ARG 474 HE ARG 474 -4.763 -0.940 -11.217 38 HH11 ARG 474 1HH1 ARG 474 -3.297 1.607 -13.935 39 HH12 ARG 474 2HH1 ARG 474 -4.646 2.075 -12.954 40 HH21 ARG 474 1HH2 ARG 474 -2.354 -0.465 -13.678 41 HH22 ARG 474 2HH2 ARG 474 -2.986 -1.567 -12.502 42 H LYS 475 H LYS 475 -9.682 1.673 -8.961 43 HA LYS 475 HA LYS 475 -7.529 3.022 -7.470 44 HB2 LYS 475 1HB LYS 475 -9.041 3.696 -5.778 45 HB3 LYS 475 2HB LYS 475 -9.812 4.120 -7.301 46 HG2 LYS 475 1HG LYS 475 -11.218 2.142 -7.161 47 HG3 LYS 475 2HG LYS 475 -10.422 1.670 -5.658 48 HD2 LYS 475 1HD LYS 475 -12.538 2.745 -5.171 49 HD3 LYS 475 2HD LYS 475 -11.207 3.763 -4.616 50 HE2 LYS 475 1HE LYS 475 -11.436 5.199 -6.524 51 HE3 LYS 475 2HE LYS 475 -12.616 4.115 -7.258 52 HZ1 LYS 475 1HZ LYS 475 -13.579 4.763 -4.741 53 HZ2 LYS 475 2HZ LYS 475 -14.189 5.263 -6.237 54 HZ3 LYS 475 3HZ LYS 475 -13.050 6.216 -5.427 55 H PHE 476 H PHE 476 -7.432 2.120 -5.140 56 HA PHE 476 HA PHE 476 -7.871 -0.788 -5.169 57 HB2 PHE 476 1HB PHE 476 -5.342 0.723 -4.664 58 HB3 PHE 476 2HB PHE 476 -5.630 -0.764 -3.766 59 HD1 PHE 476 1HD PHE 476 -5.555 0.591 -7.227 60 HD2 PHE 476 2HD PHE 476 -5.087 -2.808 -4.708 61 HE1 PHE 476 1HE PHE 476 -4.746 -0.717 -9.148 62 HE2 PHE 476 2HE PHE 476 -4.276 -4.121 -6.624 63 HZ PHE 476 HZ PHE 476 -4.104 -3.076 -8.847 64 H ILE 477 H ILE 477 -7.900 -1.775 -3.026 65 HA ILE 477 HA ILE 477 -8.551 0.113 -0.868 66 HB ILE 477 HB ILE 477 -10.636 -0.797 -1.910 67 HG12 ILE 477 1HG1 ILE 477 -11.268 -1.919 0.517 68 HG13 ILE 477 2HG1 ILE 477 -9.857 -0.946 0.917 69 HG21 ILE 477 1HG2 ILE 477 -9.299 -3.153 -2.033 70 HG22 ILE 477 2HG2 ILE 477 -10.303 -3.406 -0.606 71 HG23 ILE 477 3HG2 ILE 477 -11.050 -2.994 -2.149 72 HD11 ILE 477 1HD1 ILE 477 -12.566 -0.130 0.395 73 HD12 ILE 477 2HD1 ILE 477 -11.226 0.782 1.091 74 HD13 ILE 477 3HD1 ILE 477 -11.429 0.711 -0.659 75 H ALA 478 H ALA 478 -7.729 -0.387 1.084 76 HA ALA 478 HA ALA 478 -5.903 -2.615 1.260 77 HB1 ALA 478 1HB ALA 478 -4.889 -0.992 2.425 78 HB2 ALA 478 2HB ALA 478 -6.403 -0.146 2.753 79 HB3 ALA 478 3HB ALA 478 -5.924 -1.517 3.753 80 H VAL 479 H VAL 479 -6.244 -4.519 2.226 81 HA VAL 479 HA VAL 479 -8.817 -4.923 3.586 82 HB VAL 479 HB VAL 479 -8.273 -7.388 3.228 83 HG11 VAL 479 1HG1 VAL 479 -8.491 -6.290 0.524 84 HG12 VAL 479 2HG1 VAL 479 -9.609 -7.313 1.429 85 HG13 VAL 479 3HG1 VAL 479 -9.603 -5.568 1.687 86 HG21 VAL 479 1HG2 VAL 479 -5.821 -6.404 2.459 87 HG22 VAL 479 2HG2 VAL 479 -6.421 -8.035 2.154 88 HG23 VAL 479 3HG2 VAL 479 -6.598 -6.786 0.922 89 H LYS 480 H LYS 480 -5.352 -5.265 3.944 90 HA LYS 480 HA LYS 480 -5.760 -6.164 6.721 91 HB2 LYS 480 1HB LYS 480 -3.127 -6.431 5.327 92 HB3 LYS 480 2HB LYS 480 -3.800 -7.399 6.631 93 HG2 LYS 480 1HG LYS 480 -4.684 -7.453 3.753 94 HG3 LYS 480 2HG LYS 480 -3.688 -8.664 4.560 95 HD2 LYS 480 1HD LYS 480 -6.529 -7.937 5.275 96 HD3 LYS 480 2HD LYS 480 -6.014 -9.393 4.420 97 HE2 LYS 480 1HE LYS 480 -5.404 -8.613 7.264 98 HE3 LYS 480 2HE LYS 480 -6.371 -9.978 6.706 99 HZ1 LYS 480 1HZ LYS 480 -4.204 -10.690 5.551 100 HZ2 LYS 480 2HZ LYS 480 -4.350 -10.937 7.218 101 HZ3 LYS 480 3HZ LYS 480 -3.445 -9.633 6.632 102 H ALA 481 H ALA 481 -3.463 -5.598 7.917 103 HA ALA 481 HA ALA 481 -3.234 -2.672 7.660 104 HB1 ALA 481 1HB ALA 481 -2.785 -2.551 9.991 105 HB2 ALA 481 2HB ALA 481 -4.196 -3.590 9.789 106 HB3 ALA 481 3HB ALA 481 -2.615 -4.301 10.115 107 H HIS 482 H HIS 482 -1.152 -1.710 8.083 108 HA HIS 482 HA HIS 482 1.207 -3.318 8.222 109 HB2 HIS 482 1HB HIS 482 0.560 -3.607 5.831 110 HB3 HIS 482 2HB HIS 482 0.696 -1.864 5.620 111 HD1 HIS 482 1HD HIS 482 2.818 -4.899 6.349 112 HD2 HIS 482 2HD HIS 482 3.247 -0.933 5.190 113 HE1 HIS 482 1HE HIS 482 5.238 -4.641 5.716 114 H SER 483 H SER 483 3.132 -2.064 8.429 115 HA SER 483 HA SER 483 2.641 0.806 8.888 116 HB2 SER 483 1HB SER 483 4.811 -0.169 10.507 117 HB3 SER 483 2HB SER 483 3.311 0.606 11.016 118 HG SER 483 HG SER 483 3.157 -1.360 11.898 119 HA PRO 484 HA PRO 484 6.060 1.687 6.281 120 HB2 PRO 484 1HB PRO 484 7.055 3.926 7.449 121 HB3 PRO 484 2HB PRO 484 5.537 3.907 6.544 122 HG2 PRO 484 1HG PRO 484 5.980 3.797 9.502 123 HG3 PRO 484 2HG PRO 484 4.783 4.729 8.584 124 HD2 PRO 484 1HD PRO 484 4.171 2.412 9.845 125 HD3 PRO 484 2HD PRO 484 3.376 2.920 8.342 126 H GLN 485 H GLN 485 7.699 0.250 6.355 127 HA GLN 485 HA GLN 485 9.147 -0.600 8.535 128 HB2 GLN 485 1HB GLN 485 10.229 -0.294 5.730 129 HB3 GLN 485 2HB GLN 485 10.832 -1.384 6.970 130 HG2 GLN 485 1HG GLN 485 8.181 -1.519 5.560 131 HG3 GLN 485 2HG GLN 485 9.534 -2.639 5.411 132 HE21 GLN 485 1HE2 GLN 485 6.936 -2.882 8.526 133 HE22 GLN 485 2HE2 GLN 485 6.942 -1.525 7.456 134 H GLY 486 H GLY 486 9.561 2.304 6.629 135 HA2 GLY 486 1HA GLY 486 10.852 3.792 8.536 136 HA3 GLY 486 2HA GLY 486 12.143 2.964 7.677 137 H GLU 487 H GLU 487 12.161 3.230 5.287 138 HA GLU 487 HA GLU 487 11.042 5.825 4.466 139 HB2 GLU 487 1HB GLU 487 13.780 4.891 3.626 140 HB3 GLU 487 2HB GLU 487 13.078 6.493 3.454 141 HG2 GLU 487 1HG GLU 487 14.033 7.093 5.349 142 HG3 GLU 487 2HG GLU 487 13.062 5.896 6.203 143 H GLY 488 H GLY 488 9.771 5.592 2.757 144 HA2 GLY 488 1HA GLY 488 9.432 5.043 0.463 145 HA3 GLY 488 2HA GLY 488 10.554 3.704 0.650 146 H GLU 489 H GLU 489 8.186 4.155 3.110 147 HA GLU 489 HA GLU 489 6.361 2.229 1.890 148 HB2 GLU 489 1HB GLU 489 7.594 1.806 4.618 149 HB3 GLU 489 2HB GLU 489 6.373 0.790 3.866 150 HG2 GLU 489 1HG GLU 489 8.170 -0.445 3.317 151 HG3 GLU 489 2HG GLU 489 8.244 0.682 1.964 152 H ILE 490 H ILE 490 4.261 2.353 2.630 153 HA ILE 490 HA ILE 490 3.714 4.509 4.566 154 HB ILE 490 HB ILE 490 1.471 4.672 3.318 155 HG12 ILE 490 1HG1 ILE 490 3.113 3.473 1.083 156 HG13 ILE 490 2HG1 ILE 490 1.925 2.555 2.003 157 HG21 ILE 490 1HG2 ILE 490 3.733 5.590 1.604 158 HG22 ILE 490 2HG2 ILE 490 2.274 6.449 2.097 159 HG23 ILE 490 3HG2 ILE 490 3.587 6.206 3.249 160 HD11 ILE 490 1HD1 ILE 490 1.549 4.383 -0.195 161 HD12 ILE 490 2HD1 ILE 490 0.435 3.208 0.503 162 HD13 ILE 490 3HD1 ILE 490 0.559 4.824 1.196 163 HA PRO 491 HA PRO 491 1.398 1.697 7.015 164 HB2 PRO 491 1HB PRO 491 -0.590 3.295 7.946 165 HB3 PRO 491 2HB PRO 491 1.084 3.422 8.499 166 HG2 PRO 491 1HG PRO 491 -0.372 5.075 6.472 167 HG3 PRO 491 2HG PRO 491 0.737 5.597 7.753 168 HD2 PRO 491 1HD PRO 491 1.508 5.355 5.169 169 HD3 PRO 491 2HD PRO 491 2.610 5.053 6.527 170 H LEU 492 H LEU 492 -0.751 0.714 7.318 171 HA LEU 492 HA LEU 492 -2.669 1.151 5.169 172 HB2 LEU 492 1HB LEU 492 -1.199 -1.427 5.640 173 HB3 LEU 492 2HB LEU 492 -2.746 -1.363 4.798 174 HG LEU 492 HG LEU 492 -0.150 -0.107 3.915 175 HD11 LEU 492 1HD1 LEU 492 -0.752 -1.660 1.908 176 HD12 LEU 492 2HD1 LEU 492 -1.704 -2.524 3.114 177 HD13 LEU 492 3HD1 LEU 492 0.034 -2.326 3.340 178 HD21 LEU 492 1HD2 LEU 492 -1.393 1.361 2.797 179 HD22 LEU 492 2HD2 LEU 492 -2.888 0.551 3.264 180 HD23 LEU 492 3HD2 LEU 492 -1.998 0.007 1.841 181 H HIS 493 H HIS 493 -4.755 0.437 5.639 182 HA HIS 493 HA HIS 493 -5.233 -0.937 8.160 183 HB2 HIS 493 1HB HIS 493 -5.630 1.924 7.777 184 HB3 HIS 493 2HB HIS 493 -7.113 1.106 8.262 185 HD1 HIS 493 1HD HIS 493 -7.314 0.415 10.674 186 HD2 HIS 493 2HD HIS 493 -3.482 1.670 9.675 187 HE1 HIS 493 1HE HIS 493 -6.067 0.570 12.852 188 H ARG 494 H ARG 494 -7.137 -2.076 8.210 189 HA ARG 494 HA ARG 494 -8.302 -2.812 5.770 190 HB2 ARG 494 1HB ARG 494 -10.004 -3.968 7.176 191 HB3 ARG 494 2HB ARG 494 -8.345 -4.327 7.638 192 HG2 ARG 494 1HG ARG 494 -8.573 -2.574 9.425 193 HG3 ARG 494 2HG ARG 494 -10.295 -2.518 9.037 194 HD2 ARG 494 1HD ARG 494 -10.528 -4.864 9.585 195 HD3 ARG 494 2HD ARG 494 -8.792 -4.996 9.870 196 HE ARG 494 HE ARG 494 -9.584 -3.049 11.590 197 HH11 ARG 494 1HH1 ARG 494 -11.120 -6.602 12.616 198 HH12 ARG 494 2HH1 ARG 494 -10.619 -6.317 10.982 199 HH21 ARG 494 1HH2 ARG 494 -10.905 -4.947 14.187 200 HH22 ARG 494 2HH2 ARG 494 -10.240 -3.411 13.745 201 H GLY 495 H GLY 495 -9.663 -1.717 4.525 202 HA2 GLY 495 1HA GLY 495 -11.857 -0.757 4.231 203 HA3 GLY 495 2HA GLY 495 -11.699 -0.024 5.820 204 H GLU 496 H GLU 496 -8.757 0.424 4.614 205 HA GLU 496 HA GLU 496 -9.276 3.173 3.952 206 HB2 GLU 496 1HB GLU 496 -6.725 1.554 3.981 207 HB3 GLU 496 2HB GLU 496 -6.792 3.278 3.644 208 HG2 GLU 496 1HG GLU 496 -7.328 1.840 6.209 209 HG3 GLU 496 2HG GLU 496 -6.214 3.167 5.887 210 H ALA 497 H ALA 497 -8.552 4.214 1.992 211 HA ALA 497 HA ALA 497 -8.908 2.474 -0.351 212 HB1 ALA 497 1HB ALA 497 -9.914 5.081 0.358 213 HB2 ALA 497 2HB ALA 497 -9.072 5.127 -1.192 214 HB3 ALA 497 3HB ALA 497 -10.407 4.002 -0.948 215 H VAL 498 H VAL 498 -7.009 1.848 -1.163 216 HA VAL 498 HA VAL 498 -4.739 3.694 -1.129 217 HB VAL 498 HB VAL 498 -4.584 0.880 -2.147 218 HG11 VAL 498 1HG1 VAL 498 -2.302 1.043 -1.239 219 HG12 VAL 498 2HG1 VAL 498 -2.638 2.300 -2.430 220 HG13 VAL 498 3HG1 VAL 498 -2.645 2.689 -0.709 221 HG21 VAL 498 1HG2 VAL 498 -4.578 1.718 0.750 222 HG22 VAL 498 2HG2 VAL 498 -5.748 0.663 -0.041 223 HG23 VAL 498 3HG2 VAL 498 -4.078 0.134 0.157 224 H LYS 499 H LYS 499 -3.447 4.004 -3.041 225 HA LYS 499 HA LYS 499 -4.908 3.584 -5.561 226 HB2 LYS 499 1HB LYS 499 -4.691 6.026 -4.386 227 HB3 LYS 499 2HB LYS 499 -3.246 6.017 -5.390 228 HG2 LYS 499 1HG LYS 499 -4.982 7.029 -6.647 229 HG3 LYS 499 2HG LYS 499 -4.703 5.427 -7.335 230 HD2 LYS 499 1HD LYS 499 -7.029 5.586 -7.225 231 HD3 LYS 499 2HD LYS 499 -6.606 4.657 -5.784 232 HE2 LYS 499 1HE LYS 499 -8.223 6.303 -5.158 233 HE3 LYS 499 2HE LYS 499 -6.667 6.782 -4.482 234 HZ1 LYS 499 1HZ LYS 499 -7.817 8.663 -5.461 235 HZ2 LYS 499 2HZ LYS 499 -7.891 7.878 -6.958 236 HZ3 LYS 499 3HZ LYS 499 -6.394 8.336 -6.316 237 H VAL 500 H VAL 500 -3.663 1.949 -6.349 238 HA VAL 500 HA VAL 500 -0.836 1.843 -6.143 239 HB VAL 500 HB VAL 500 -2.704 0.408 -8.035 240 HG11 VAL 500 1HG1 VAL 500 -0.626 -1.210 -7.998 241 HG12 VAL 500 2HG1 VAL 500 -0.710 0.139 -9.131 242 HG13 VAL 500 3HG1 VAL 500 0.246 0.283 -7.657 243 HG21 VAL 500 1HG2 VAL 500 -1.345 -0.618 -5.549 244 HG22 VAL 500 2HG2 VAL 500 -2.998 -0.006 -5.584 245 HG23 VAL 500 3HG2 VAL 500 -2.568 -1.435 -6.522 246 H LEU 501 H LEU 501 0.742 2.578 -7.454 247 HA LEU 501 HA LEU 501 -0.047 3.863 -9.981 248 HB2 LEU 501 1HB LEU 501 1.219 5.028 -7.647 249 HB3 LEU 501 2HB LEU 501 2.197 5.238 -9.098 250 HG LEU 501 HG LEU 501 0.269 6.315 -10.204 251 HD11 LEU 501 1HD1 LEU 501 -1.019 5.775 -7.553 252 HD12 LEU 501 2HD1 LEU 501 -1.628 5.442 -9.174 253 HD13 LEU 501 3HD1 LEU 501 -1.556 7.102 -8.584 254 HD21 LEU 501 1HD2 LEU 501 0.211 8.270 -8.363 255 HD22 LEU 501 2HD2 LEU 501 1.575 7.993 -9.446 256 HD23 LEU 501 3HD2 LEU 501 1.615 7.365 -7.797 257 H SER 502 H SER 502 2.686 2.595 -8.094 258 HA SER 502 HA SER 502 3.890 1.687 -10.628 259 HB2 SER 502 1HB SER 502 5.081 3.048 -8.275 260 HB3 SER 502 2HB SER 502 6.032 1.749 -8.994 261 HG SER 502 HG SER 502 5.387 4.243 -9.997 262 H ILE 503 H ILE 503 5.333 -0.228 -10.366 263 HA ILE 503 HA ILE 503 4.381 -2.025 -8.236 264 HB ILE 503 HB ILE 503 4.873 -2.824 -11.107 265 HG12 ILE 503 1HG1 ILE 503 2.820 -1.490 -10.849 266 HG13 ILE 503 2HG1 ILE 503 2.452 -3.167 -11.237 267 HG21 ILE 503 1HG2 ILE 503 4.796 -4.327 -8.688 268 HG22 ILE 503 2HG2 ILE 503 3.394 -4.754 -9.668 269 HG23 ILE 503 3HG2 ILE 503 5.018 -4.901 -10.342 270 HD11 ILE 503 1HD1 ILE 503 2.412 -2.067 -8.443 271 HD12 ILE 503 2HD1 ILE 503 0.998 -2.131 -9.496 272 HD13 ILE 503 3HD1 ILE 503 1.799 -3.622 -9.003 273 H GLY 504 H GLY 504 5.911 -3.183 -7.204 274 HA2 GLY 504 1HA GLY 504 8.688 -2.669 -7.928 275 HA3 GLY 504 2HA GLY 504 8.117 -3.394 -6.432 276 H GLU 505 H GLU 505 8.880 -5.384 -6.229 277 HA GLU 505 HA GLU 505 9.685 -6.949 -8.489 278 HB2 GLU 505 1HB GLU 505 9.694 -7.314 -5.525 279 HB3 GLU 505 2HB GLU 505 9.871 -8.734 -6.547 280 HG2 GLU 505 1HG GLU 505 11.709 -7.260 -7.711 281 HG3 GLU 505 2HG GLU 505 11.712 -6.438 -6.152 282 H GLY 506 H GLY 506 6.813 -6.651 -6.597 283 HA2 GLY 506 1HA GLY 506 4.973 -7.745 -8.138 284 HA3 GLY 506 2HA GLY 506 5.753 -9.204 -7.546 285 H GLY 507 H GLY 507 6.299 -7.869 -4.922 286 HA2 GLY 507 1HA GLY 507 3.581 -8.213 -3.827 287 HA3 GLY 507 2HA GLY 507 5.066 -8.568 -2.957 288 H PHE 508 H PHE 508 6.025 -5.911 -4.320 289 HA PHE 508 HA PHE 508 4.776 -4.130 -2.331 290 HB2 PHE 508 1HB PHE 508 7.423 -4.925 -2.380 291 HB3 PHE 508 2HB PHE 508 7.465 -3.356 -3.176 292 HD1 PHE 508 1HD PHE 508 8.192 -1.739 -1.726 293 HD2 PHE 508 2HD PHE 508 5.514 -4.727 -0.305 294 HE1 PHE 508 1HE PHE 508 8.117 -0.626 0.467 295 HE2 PHE 508 2HE PHE 508 5.435 -3.619 1.889 296 HZ PHE 508 HZ PHE 508 6.737 -1.564 2.278 297 H TRP 509 H TRP 509 3.520 -2.726 -3.358 298 HA TRP 509 HA TRP 509 4.448 -1.633 -5.932 299 HB2 TRP 509 1HB TRP 509 1.599 -1.779 -4.928 300 HB3 TRP 509 2HB TRP 509 2.130 -1.265 -6.527 301 HD1 TRP 509 HD TRP 509 4.299 -3.922 -6.428 302 HE1 TRP 509 1HE TRP 509 3.294 -6.165 -7.193 303 HE3 TRP 509 3HE TRP 509 -0.665 -2.793 -5.950 304 HZ2 TRP 509 2HZ TRP 509 0.735 -7.304 -7.547 305 HZ3 TRP 509 3HZ TRP 509 -2.326 -4.515 -6.522 306 HH2 TRP 509 HH TRP 509 -1.639 -6.723 -7.305 307 H GLU 510 H GLU 510 4.214 0.593 -6.324 308 HA GLU 510 HA GLU 510 4.185 2.205 -3.883 309 HB2 GLU 510 1HB GLU 510 6.021 3.006 -4.912 310 HB3 GLU 510 2HB GLU 510 5.531 2.372 -6.477 311 HG2 GLU 510 1HG GLU 510 5.704 4.770 -6.577 312 HG3 GLU 510 2HG GLU 510 4.020 4.282 -6.765 313 H GLY 511 H GLY 511 2.573 3.555 -3.394 314 HA2 GLY 511 1HA GLY 511 0.897 4.708 -5.453 315 HA3 GLY 511 2HA GLY 511 0.081 3.536 -4.429 316 H THR 512 H THR 512 -1.321 5.213 -3.714 317 HA THR 512 HA THR 512 -0.152 6.777 -1.533 318 HB THR 512 HB THR 512 -2.018 7.971 -3.593 319 HG1 THR 512 1HG THR 512 -0.273 8.859 -4.456 320 HG21 THR 512 1HG2 THR 512 -1.810 10.028 -2.373 321 HG22 THR 512 2HG2 THR 512 -0.645 9.308 -1.263 322 HG23 THR 512 3HG2 THR 512 -2.325 8.775 -1.245 323 H VAL 513 H VAL 513 -1.463 7.019 0.229 324 HA VAL 513 HA VAL 513 -4.279 6.308 0.053 325 HB VAL 513 HB VAL 513 -2.846 4.204 0.519 326 HG11 VAL 513 1HG1 VAL 513 -1.565 5.567 2.327 327 HG12 VAL 513 2HG1 VAL 513 -2.932 5.136 3.357 328 HG13 VAL 513 3HG1 VAL 513 -1.949 3.870 2.621 329 HG21 VAL 513 1HG2 VAL 513 -5.002 3.659 0.842 330 HG22 VAL 513 2HG2 VAL 513 -4.598 3.768 2.555 331 HG23 VAL 513 3HG2 VAL 513 -5.347 5.139 1.736 332 H LYS 514 H LYS 514 -5.501 7.419 1.469 333 HA LYS 514 HA LYS 514 -6.054 9.041 2.971 334 HB2 LYS 514 1HB LYS 514 -3.839 7.804 4.612 335 HB3 LYS 514 2HB LYS 514 -5.191 8.750 5.218 336 HG2 LYS 514 1HG LYS 514 -5.422 6.080 3.841 337 HG3 LYS 514 2HG LYS 514 -5.480 6.341 5.586 338 HD2 LYS 514 1HD LYS 514 -7.610 7.037 5.520 339 HD3 LYS 514 2HD LYS 514 -7.334 8.032 4.089 340 HE2 LYS 514 1HE LYS 514 -7.545 6.105 2.656 341 HE3 LYS 514 2HE LYS 514 -7.656 5.033 4.051 342 HZ1 LYS 514 1HZ LYS 514 -9.785 5.681 4.497 343 HZ2 LYS 514 2HZ LYS 514 -9.790 5.832 2.812 344 HZ3 LYS 514 3HZ LYS 514 -9.610 7.205 3.784 345 H GLY 515 H GLY 515 -3.902 9.618 1.006 346 HA2 GLY 515 1HA GLY 515 -2.973 11.755 0.593 347 HA3 GLY 515 2HA GLY 515 -2.908 12.035 2.327 348 H ARG 516 H ARG 516 -1.680 9.390 2.814 349 HA ARG 516 HA ARG 516 1.041 10.207 2.586 350 HB2 ARG 516 1HB ARG 516 -0.180 7.579 3.450 351 HB3 ARG 516 2HB ARG 516 1.529 7.973 3.583 352 HG2 ARG 516 1HG ARG 516 1.044 8.697 5.627 353 HG3 ARG 516 2HG ARG 516 0.317 10.095 4.833 354 HD2 ARG 516 1HD ARG 516 -1.838 8.863 4.761 355 HD3 ARG 516 2HD ARG 516 -1.084 7.565 5.686 356 HE ARG 516 HE ARG 516 -2.009 10.090 6.686 357 HH11 ARG 516 1HH1 ARG 516 0.348 7.734 8.905 358 HH12 ARG 516 2HH1 ARG 516 0.213 7.459 7.199 359 HH21 ARG 516 1HH2 ARG 516 -0.821 9.442 9.889 360 HH22 ARG 516 2HH2 ARG 516 -1.840 10.461 8.931 361 H THR 517 H THR 517 2.666 9.433 1.289 362 HA THR 517 HA THR 517 1.826 7.705 -0.948 363 HB THR 517 HB THR 517 3.872 9.932 -1.019 364 HG1 THR 517 1HG THR 517 2.196 10.717 -2.601 365 HG21 THR 517 1HG2 THR 517 4.565 8.245 -2.547 366 HG22 THR 517 2HG2 THR 517 3.756 9.486 -3.504 367 HG23 THR 517 3HG2 THR 517 2.915 7.985 -3.113 368 H GLY 518 H GLY 518 3.264 6.138 -1.686 369 HA2 GLY 518 1HA GLY 518 5.863 5.678 -1.287 370 HA3 GLY 518 2HA GLY 518 5.214 5.283 0.298 371 H TRP 519 H TRP 519 6.233 3.173 -0.322 372 HA TRP 519 HA TRP 519 4.621 1.596 -2.182 373 HB2 TRP 519 1HB TRP 519 7.147 0.841 -0.698 374 HB3 TRP 519 2HB TRP 519 6.359 -0.110 -1.955 375 HD1 TRP 519 HD TRP 519 8.070 3.352 -1.581 376 HE1 TRP 519 1HE TRP 519 9.206 3.917 -3.820 377 HE3 TRP 519 3HE TRP 519 6.533 -0.686 -4.313 378 HZ2 TRP 519 2HZ TRP 519 9.422 2.800 -6.403 379 HZ3 TRP 519 3HZ TRP 519 7.248 -0.863 -6.661 380 HH2 TRP 519 HH TRP 519 8.662 0.846 -7.683 381 H PHE 520 H PHE 520 3.694 -0.416 -1.572 382 HA PHE 520 HA PHE 520 3.512 -1.050 1.256 383 HB2 PHE 520 1HB PHE 520 1.000 -1.092 1.155 384 HB3 PHE 520 2HB PHE 520 1.707 0.519 1.096 385 HD1 PHE 520 1HD PHE 520 0.140 -2.133 -0.936 386 HD2 PHE 520 2HD PHE 520 1.363 1.940 -0.754 387 HE1 PHE 520 1HE PHE 520 -1.102 -1.671 -3.010 388 HE2 PHE 520 2HE PHE 520 0.124 2.408 -2.827 389 HZ PHE 520 HZ PHE 520 -1.111 0.601 -3.957 390 HA PRO 521 HA PRO 521 3.254 -5.182 -0.197 391 HB2 PRO 521 1HB PRO 521 1.737 -6.348 1.729 392 HB3 PRO 521 2HB PRO 521 3.411 -5.845 1.998 393 HG2 PRO 521 1HG PRO 521 0.870 -4.447 2.738 394 HG3 PRO 521 2HG PRO 521 2.352 -4.653 3.689 395 HD2 PRO 521 1HD PRO 521 1.772 -2.357 2.376 396 HD3 PRO 521 2HD PRO 521 3.436 -2.930 2.608 397 H ALA 522 H ALA 522 2.129 -5.558 -2.014 398 HA ALA 522 HA ALA 522 -0.512 -4.849 -2.532 399 HB1 ALA 522 1HB ALA 522 1.339 -5.595 -4.153 400 HB2 ALA 522 2HB ALA 522 0.771 -7.232 -3.821 401 HB3 ALA 522 3HB ALA 522 -0.327 -6.043 -4.524 402 H ASP 523 H ASP 523 0.751 -7.484 -0.720 403 HA ASP 523 HA ASP 523 -1.434 -9.276 -0.973 404 HB2 ASP 523 1HB ASP 523 0.742 -10.039 -0.179 405 HB3 ASP 523 2HB ASP 523 0.619 -8.991 1.232 406 H CYS 524 H CYS 524 -1.212 -6.274 0.480 407 HA CYS 524 HA CYS 524 -3.428 -6.885 2.323 408 HB2 CYS 524 1HB CYS 524 -1.532 -4.533 2.464 409 HB3 CYS 524 2HB CYS 524 -2.749 -4.980 3.654 410 HG CYS 524 HG CYS 524 -0.540 -7.412 3.056 411 H VAL 525 H VAL 525 -3.008 -5.839 -0.660 412 HA VAL 525 HA VAL 525 -5.169 -3.847 -0.464 413 HB VAL 525 HB VAL 525 -4.251 -2.520 -2.177 414 HG11 VAL 525 1HG1 VAL 525 -1.633 -3.097 -0.980 415 HG12 VAL 525 2HG1 VAL 525 -2.564 -1.599 -1.012 416 HG13 VAL 525 3HG1 VAL 525 -2.938 -2.846 0.178 417 HG21 VAL 525 1HG2 VAL 525 -1.868 -3.505 -3.049 418 HG22 VAL 525 2HG2 VAL 525 -2.815 -4.982 -2.867 419 HG23 VAL 525 3HG2 VAL 525 -3.402 -3.681 -3.903 420 H GLU 526 H GLU 526 -6.712 -3.854 -2.126 421 HA GLU 526 HA GLU 526 -6.596 -6.134 -3.979 422 HB2 GLU 526 1HB GLU 526 -8.578 -5.572 -1.885 423 HB3 GLU 526 2HB GLU 526 -9.278 -5.896 -3.464 424 HG2 GLU 526 1HG GLU 526 -7.596 -7.930 -3.398 425 HG3 GLU 526 2HG GLU 526 -7.748 -7.684 -1.659 426 H GLU 527 H GLU 527 -7.069 -5.646 -6.029 427 HA GLU 527 HA GLU 527 -7.611 -2.929 -6.749 428 HB2 GLU 527 1HB GLU 527 -6.188 -4.646 -8.028 429 HB3 GLU 527 2HB GLU 527 -7.716 -5.276 -8.628 430 HG2 GLU 527 1HG GLU 527 -8.206 -3.300 -9.786 431 HG3 GLU 527 2HG GLU 527 -6.976 -2.386 -8.914 432 H VAL 528 H VAL 528 -9.475 -2.000 -7.398 433 HA VAL 528 HA VAL 528 -11.942 -3.154 -6.695 434 HB VAL 528 HB VAL 528 -12.977 -1.235 -7.852 435 HG11 VAL 528 1HG1 VAL 528 -11.896 -1.135 -5.536 436 HG12 VAL 528 2HG1 VAL 528 -10.592 -0.243 -6.322 437 HG13 VAL 528 3HG1 VAL 528 -12.237 0.395 -6.344 438 HG21 VAL 528 1HG2 VAL 528 -11.755 -0.790 -9.754 439 HG22 VAL 528 2HG2 VAL 528 -11.208 0.500 -8.683 440 HG23 VAL 528 3HG2 VAL 528 -10.206 -0.932 -8.923 441 H GLN 529 H GLN 529 -10.140 -3.116 -9.682 442 HA GLN 529 HA GLN 529 -12.231 -4.785 -10.902 443 HB2 GLN 529 1HB GLN 529 -10.682 -2.529 -12.164 444 HB3 GLN 529 2HB GLN 529 -11.505 -3.757 -13.117 445 HG2 GLN 529 1HG GLN 529 -13.540 -3.045 -11.573 446 HG3 GLN 529 2HG GLN 529 -12.619 -1.543 -11.498 447 HE21 GLN 529 1HE2 GLN 529 -15.047 -1.788 -14.431 448 HE22 GLN 529 2HE2 GLN 529 -15.209 -2.303 -12.790 449 H MET 530 H MET 530 -11.367 -6.085 -12.771 450 HA MET 530 HA MET 530 -8.532 -6.767 -12.446 451 HB2 MET 530 1HB MET 530 -9.059 -9.158 -12.470 452 HB3 MET 530 2HB MET 530 -9.803 -8.360 -11.091 453 HG2 MET 530 1HG MET 530 -11.426 -8.625 -13.554 454 HG3 MET 530 2HG MET 530 -11.107 -10.086 -12.622 455 HE1 MET 530 1HE MET 530 -13.851 -10.422 -11.999 456 HE2 MET 530 2HE MET 530 -12.484 -10.899 -10.994 457 HE3 MET 530 3HE MET 530 -13.879 -10.101 -10.265 Start of MODEL 12 1 H1 MET 470 H MET 470 -9.409 10.378 -5.327 2 HA MET 470 HA MET 470 -9.640 7.555 -6.128 3 HB2 MET 470 1HB MET 470 -11.720 9.205 -4.693 4 HB3 MET 470 2HB MET 470 -11.717 7.463 -4.931 5 HG2 MET 470 1HG MET 470 -10.732 7.241 -2.968 6 HG3 MET 470 2HG MET 470 -9.319 8.066 -3.618 7 HE1 MET 470 1HE MET 470 -11.121 8.805 -0.078 8 HE2 MET 470 2HE MET 470 -12.599 9.189 -0.960 9 HE3 MET 470 3HE MET 470 -11.752 7.673 -1.273 10 H VAL 471 H VAL 471 -9.787 7.683 -8.323 11 HA VAL 471 HA VAL 471 -12.049 9.241 -9.396 12 HB VAL 471 HB VAL 471 -10.685 9.179 -11.586 13 HG11 VAL 471 1HG1 VAL 471 -11.171 11.193 -10.220 14 HG12 VAL 471 2HG1 VAL 471 -9.674 10.907 -9.332 15 HG13 VAL 471 3HG1 VAL 471 -9.621 11.270 -11.056 16 HG21 VAL 471 1HG2 VAL 471 -8.524 8.558 -11.581 17 HG22 VAL 471 2HG2 VAL 471 -8.222 9.245 -9.986 18 HG23 VAL 471 3HG2 VAL 471 -8.970 7.654 -10.134 19 HA PRO 472 HA PRO 472 -13.690 5.543 -11.098 20 HB2 PRO 472 1HB PRO 472 -14.775 6.445 -13.418 21 HB3 PRO 472 2HB PRO 472 -15.466 6.802 -11.831 22 HG2 PRO 472 1HG PRO 472 -13.715 8.507 -13.560 23 HG3 PRO 472 2HG PRO 472 -15.157 8.963 -12.633 24 HD2 PRO 472 1HD PRO 472 -12.642 9.451 -11.753 25 HD3 PRO 472 2HD PRO 472 -13.990 9.105 -10.650 26 H GLY 473 H GLY 473 -11.402 4.760 -11.406 27 HA2 GLY 473 1HA GLY 473 -11.093 3.706 -14.010 28 HA3 GLY 473 2HA GLY 473 -9.974 5.043 -13.787 29 H ARG 474 H ARG 474 -8.612 4.912 -11.768 30 HA ARG 474 HA ARG 474 -7.850 2.108 -11.271 31 HB2 ARG 474 1HB ARG 474 -6.314 4.064 -12.481 32 HB3 ARG 474 2HB ARG 474 -5.747 4.084 -10.817 33 HG2 ARG 474 1HG ARG 474 -4.382 2.450 -11.493 34 HG3 ARG 474 2HG ARG 474 -5.804 1.418 -11.323 35 HD2 ARG 474 1HD ARG 474 -5.260 0.878 -13.458 36 HD3 ARG 474 2HD ARG 474 -6.238 2.305 -13.798 37 HE ARG 474 HE ARG 474 -3.766 3.337 -13.532 38 HH11 ARG 474 1HH1 ARG 474 -3.863 0.850 -16.667 39 HH12 ARG 474 2HH1 ARG 474 -5.025 0.679 -15.393 40 HH21 ARG 474 1HH2 ARG 474 -2.273 2.496 -16.556 41 HH22 ARG 474 2HH2 ARG 474 -2.230 3.573 -15.201 42 H LYS 475 H LYS 475 -8.729 1.684 -9.326 43 HA LYS 475 HA LYS 475 -7.827 3.323 -7.071 44 HB2 LYS 475 1HB LYS 475 -10.014 4.163 -7.343 45 HB3 LYS 475 2HB LYS 475 -10.670 2.573 -7.711 46 HG2 LYS 475 1HG LYS 475 -11.385 3.201 -5.522 47 HG3 LYS 475 2HG LYS 475 -10.202 1.900 -5.366 48 HD2 LYS 475 1HD LYS 475 -9.252 3.254 -3.843 49 HD3 LYS 475 2HD LYS 475 -8.597 4.091 -5.253 50 HE2 LYS 475 1HE LYS 475 -9.596 5.685 -3.726 51 HE3 LYS 475 2HE LYS 475 -10.527 5.613 -5.221 52 HZ1 LYS 475 1HZ LYS 475 -11.391 5.135 -2.579 53 HZ2 LYS 475 2HZ LYS 475 -11.622 3.734 -3.498 54 HZ3 LYS 475 3HZ LYS 475 -12.309 5.196 -3.999 55 H PHE 476 H PHE 476 -7.569 2.209 -5.126 56 HA PHE 476 HA PHE 476 -8.002 -0.696 -5.217 57 HB2 PHE 476 1HB PHE 476 -5.453 0.781 -4.724 58 HB3 PHE 476 2HB PHE 476 -5.741 -0.718 -3.846 59 HD1 PHE 476 1HD PHE 476 -5.167 -2.731 -4.815 60 HD2 PHE 476 2HD PHE 476 -5.768 0.674 -7.298 61 HE1 PHE 476 1HE PHE 476 -4.398 -4.020 -6.765 62 HE2 PHE 476 2HE PHE 476 -5.000 -0.610 -9.251 63 HZ PHE 476 HZ PHE 476 -4.315 -2.960 -8.986 64 H ILE 477 H ILE 477 -7.901 -1.714 -3.053 65 HA ILE 477 HA ILE 477 -8.523 0.136 -0.860 66 HB ILE 477 HB ILE 477 -10.647 -0.709 -1.886 67 HG12 ILE 477 1HG1 ILE 477 -11.284 -1.837 0.526 68 HG13 ILE 477 2HG1 ILE 477 -9.822 -0.943 0.929 69 HG21 ILE 477 1HG2 ILE 477 -11.290 -3.026 -1.523 70 HG22 ILE 477 2HG2 ILE 477 -9.831 -2.935 -2.510 71 HG23 ILE 477 3HG2 ILE 477 -9.715 -3.365 -0.803 72 HD11 ILE 477 1HD1 ILE 477 -11.065 0.981 -0.374 73 HD12 ILE 477 2HD1 ILE 477 -12.486 0.047 0.093 74 HD13 ILE 477 3HD1 ILE 477 -11.383 0.654 1.329 75 H ALA 478 H ALA 478 -7.691 -0.435 1.071 76 HA ALA 478 HA ALA 478 -5.889 -2.684 1.160 77 HB1 ALA 478 1HB ALA 478 -5.896 -1.677 3.693 78 HB2 ALA 478 2HB ALA 478 -4.858 -1.116 2.382 79 HB3 ALA 478 3HB ALA 478 -6.362 -0.268 2.741 80 H VAL 479 H VAL 479 -6.200 -4.604 2.120 81 HA VAL 479 HA VAL 479 -8.784 -5.049 3.454 82 HB VAL 479 HB VAL 479 -8.277 -7.496 3.008 83 HG11 VAL 479 1HG1 VAL 479 -8.421 -6.281 0.342 84 HG12 VAL 479 2HG1 VAL 479 -9.553 -7.356 1.165 85 HG13 VAL 479 3HG1 VAL 479 -9.564 -5.627 1.514 86 HG21 VAL 479 1HG2 VAL 479 -6.395 -8.136 2.001 87 HG22 VAL 479 2HG2 VAL 479 -6.565 -6.910 0.744 88 HG23 VAL 479 3HG2 VAL 479 -5.796 -6.500 2.277 89 H LYS 480 H LYS 480 -5.388 -5.018 3.932 90 HA LYS 480 HA LYS 480 -5.766 -6.127 6.633 91 HB2 LYS 480 1HB LYS 480 -3.149 -6.370 5.190 92 HB3 LYS 480 2HB LYS 480 -3.760 -7.317 6.540 93 HG2 LYS 480 1HG LYS 480 -4.771 -7.444 3.705 94 HG3 LYS 480 2HG LYS 480 -3.697 -8.614 4.476 95 HD2 LYS 480 1HD LYS 480 -6.102 -8.119 6.032 96 HD3 LYS 480 2HD LYS 480 -6.460 -8.719 4.412 97 HE2 LYS 480 1HE LYS 480 -5.525 -10.747 4.811 98 HE3 LYS 480 2HE LYS 480 -4.287 -10.085 5.879 99 HZ1 LYS 480 1HZ LYS 480 -5.496 -10.899 7.536 100 HZ2 LYS 480 2HZ LYS 480 -6.819 -11.225 6.535 101 HZ3 LYS 480 3HZ LYS 480 -6.635 -9.689 7.220 102 H ALA 481 H ALA 481 -3.474 -5.568 7.842 103 HA ALA 481 HA ALA 481 -3.260 -2.638 7.630 104 HB1 ALA 481 1HB ALA 481 -2.893 -2.518 9.946 105 HB2 ALA 481 2HB ALA 481 -4.197 -3.690 9.752 106 HB3 ALA 481 3HB ALA 481 -2.553 -4.245 10.067 107 H HIS 482 H HIS 482 -1.185 -1.669 8.059 108 HA HIS 482 HA HIS 482 1.187 -3.256 8.179 109 HB2 HIS 482 1HB HIS 482 0.527 -3.537 5.786 110 HB3 HIS 482 2HB HIS 482 0.668 -1.793 5.583 111 HD1 HIS 482 1HD HIS 482 2.804 -4.811 6.389 112 HD2 HIS 482 2HD HIS 482 3.199 -0.894 5.062 113 HE1 HIS 482 1HE HIS 482 5.218 -4.563 5.733 114 H SER 483 H SER 483 3.081 -2.001 8.454 115 HA SER 483 HA SER 483 2.586 0.875 8.864 116 HB2 SER 483 1HB SER 483 4.702 -0.123 10.558 117 HB3 SER 483 2HB SER 483 3.219 0.717 11.008 118 HG SER 483 HG SER 483 3.641 -2.058 10.683 119 HA PRO 484 HA PRO 484 6.076 1.693 6.329 120 HB2 PRO 484 1HB PRO 484 7.000 3.986 7.449 121 HB3 PRO 484 2HB PRO 484 5.516 3.916 6.492 122 HG2 PRO 484 1HG PRO 484 5.853 3.917 9.467 123 HG3 PRO 484 2HG PRO 484 4.679 4.799 8.474 124 HD2 PRO 484 1HD PRO 484 4.049 2.521 9.794 125 HD3 PRO 484 2HD PRO 484 3.303 2.964 8.245 126 H GLN 485 H GLN 485 7.727 0.281 6.513 127 HA GLN 485 HA GLN 485 9.119 -0.392 8.821 128 HB2 GLN 485 1HB GLN 485 9.961 -0.494 5.925 129 HB3 GLN 485 2HB GLN 485 10.918 -1.182 7.230 130 HG2 GLN 485 1HG GLN 485 8.214 -2.029 6.250 131 HG3 GLN 485 2HG GLN 485 9.704 -2.968 6.325 132 HE21 GLN 485 1HE2 GLN 485 7.282 -2.607 9.567 133 HE22 GLN 485 2HE2 GLN 485 7.057 -1.636 8.157 134 H GLY 486 H GLY 486 9.437 2.367 6.760 135 HA2 GLY 486 1HA GLY 486 10.857 3.945 8.484 136 HA3 GLY 486 2HA GLY 486 12.092 3.074 7.587 137 H GLU 487 H GLU 487 12.155 3.327 5.265 138 HA GLU 487 HA GLU 487 10.931 5.854 4.369 139 HB2 GLU 487 1HB GLU 487 13.595 4.795 3.431 140 HB3 GLU 487 2HB GLU 487 12.904 6.385 3.134 141 HG2 GLU 487 1HG GLU 487 13.034 6.042 5.932 142 HG3 GLU 487 2HG GLU 487 14.582 5.529 5.265 143 H GLY 488 H GLY 488 10.042 5.920 2.343 144 HA2 GLY 488 1HA GLY 488 9.300 5.168 0.292 145 HA3 GLY 488 2HA GLY 488 10.475 3.866 0.397 146 H GLU 489 H GLU 489 8.090 4.435 2.886 147 HA GLU 489 HA GLU 489 6.364 2.324 1.864 148 HB2 GLU 489 1HB GLU 489 7.674 2.135 4.583 149 HB3 GLU 489 2HB GLU 489 6.473 1.026 3.937 150 HG2 GLU 489 1HG GLU 489 8.206 0.721 2.013 151 HG3 GLU 489 2HG GLU 489 9.342 1.345 3.207 152 H ILE 490 H ILE 490 4.282 2.345 2.726 153 HA ILE 490 HA ILE 490 3.682 4.573 4.558 154 HB ILE 490 HB ILE 490 1.441 4.675 3.277 155 HG12 ILE 490 1HG1 ILE 490 3.205 3.425 1.159 156 HG13 ILE 490 2HG1 ILE 490 1.841 2.633 1.939 157 HG21 ILE 490 1HG2 ILE 490 2.258 6.410 1.901 158 HG22 ILE 490 2HG2 ILE 490 3.319 6.370 3.309 159 HG23 ILE 490 3HG2 ILE 490 3.854 5.667 1.783 160 HD11 ILE 490 1HD1 ILE 490 0.565 3.412 0.312 161 HD12 ILE 490 2HD1 ILE 490 0.832 5.036 0.948 162 HD13 ILE 490 3HD1 ILE 490 1.882 4.401 -0.318 163 HA PRO 491 HA PRO 491 1.368 1.754 6.999 164 HB2 PRO 491 1HB PRO 491 -0.665 3.325 7.878 165 HB3 PRO 491 2HB PRO 491 0.997 3.491 8.457 166 HG2 PRO 491 1HG PRO 491 -0.455 5.092 6.386 167 HG3 PRO 491 2HG PRO 491 0.622 5.651 7.679 168 HD2 PRO 491 1HD PRO 491 1.441 5.391 5.112 169 HD3 PRO 491 2HD PRO 491 2.526 5.126 6.491 170 H LEU 492 H LEU 492 -0.900 0.898 7.361 171 HA LEU 492 HA LEU 492 -2.768 1.239 5.186 172 HB2 LEU 492 1HB LEU 492 -1.209 -1.300 5.574 173 HB3 LEU 492 2HB LEU 492 -2.775 -1.274 4.764 174 HG LEU 492 HG LEU 492 -0.260 0.126 3.858 175 HD11 LEU 492 1HD1 LEU 492 -1.666 -2.382 3.058 176 HD12 LEU 492 2HD1 LEU 492 0.058 -2.076 3.267 177 HD13 LEU 492 3HD1 LEU 492 -0.783 -1.451 1.849 178 HD21 LEU 492 1HD2 LEU 492 -3.017 0.670 3.289 179 HD22 LEU 492 2HD2 LEU 492 -2.207 0.090 1.834 180 HD23 LEU 492 3HD2 LEU 492 -1.571 1.490 2.698 181 H HIS 493 H HIS 493 -4.831 0.508 5.671 182 HA HIS 493 HA HIS 493 -5.259 -0.978 8.139 183 HB2 HIS 493 1HB HIS 493 -5.701 1.893 7.873 184 HB3 HIS 493 2HB HIS 493 -7.158 1.032 8.359 185 HD1 HIS 493 1HD HIS 493 -7.307 0.289 10.752 186 HD2 HIS 493 2HD HIS 493 -3.492 1.559 9.707 187 HE1 HIS 493 1HE HIS 493 -6.011 0.372 12.906 188 H ARG 494 H ARG 494 -7.002 -2.282 8.040 189 HA ARG 494 HA ARG 494 -8.229 -2.891 5.638 190 HB2 ARG 494 1HB ARG 494 -9.974 -4.038 7.079 191 HB3 ARG 494 2HB ARG 494 -8.304 -4.509 7.364 192 HG2 ARG 494 1HG ARG 494 -8.208 -3.120 9.337 193 HG3 ARG 494 2HG ARG 494 -9.840 -2.525 9.027 194 HD2 ARG 494 1HD ARG 494 -9.330 -5.458 9.316 195 HD3 ARG 494 2HD ARG 494 -9.476 -4.437 10.746 196 HE ARG 494 HE ARG 494 -11.658 -3.890 9.115 197 HH11 ARG 494 1HH1 ARG 494 -11.905 -7.295 11.208 198 HH12 ARG 494 2HH1 ARG 494 -10.358 -6.575 10.910 199 HH21 ARG 494 1HH2 ARG 494 -13.807 -6.302 10.402 200 HH22 ARG 494 2HH2 ARG 494 -13.702 -4.830 9.498 201 H GLY 495 H GLY 495 -9.655 -1.833 4.434 202 HA2 GLY 495 1HA GLY 495 -11.875 -0.898 4.216 203 HA3 GLY 495 2HA GLY 495 -11.659 -0.146 5.789 204 H GLU 496 H GLU 496 -8.786 0.443 4.720 205 HA GLU 496 HA GLU 496 -9.381 3.119 3.910 206 HB2 GLU 496 1HB GLU 496 -6.784 1.583 4.062 207 HB3 GLU 496 2HB GLU 496 -6.885 3.283 3.629 208 HG2 GLU 496 1HG GLU 496 -7.169 1.974 6.249 209 HG3 GLU 496 2HG GLU 496 -6.497 3.548 5.829 210 H ALA 497 H ALA 497 -8.529 4.120 1.939 211 HA ALA 497 HA ALA 497 -8.825 2.310 -0.363 212 HB1 ALA 497 1HB ALA 497 -9.825 4.005 -1.558 213 HB2 ALA 497 2HB ALA 497 -10.398 4.342 0.076 214 HB3 ALA 497 3HB ALA 497 -9.063 5.276 -0.600 215 H VAL 498 H VAL 498 -6.984 1.782 -1.323 216 HA VAL 498 HA VAL 498 -4.706 3.627 -1.178 217 HB VAL 498 HB VAL 498 -4.543 0.824 -2.237 218 HG11 VAL 498 1HG1 VAL 498 -2.599 2.212 -2.559 219 HG12 VAL 498 2HG1 VAL 498 -2.593 2.663 -0.852 220 HG13 VAL 498 3HG1 VAL 498 -2.246 1.000 -1.328 221 HG21 VAL 498 1HG2 VAL 498 -4.001 0.065 0.050 222 HG22 VAL 498 2HG2 VAL 498 -4.481 1.645 0.665 223 HG23 VAL 498 3HG2 VAL 498 -5.673 0.602 -0.109 224 H LYS 499 H LYS 499 -3.390 3.967 -3.076 225 HA LYS 499 HA LYS 499 -4.845 3.618 -5.611 226 HB2 LYS 499 1HB LYS 499 -4.719 6.012 -4.454 227 HB3 LYS 499 2HB LYS 499 -3.140 6.033 -5.228 228 HG2 LYS 499 1HG LYS 499 -4.333 6.948 -6.910 229 HG3 LYS 499 2HG LYS 499 -4.612 5.252 -7.312 230 HD2 LYS 499 1HD LYS 499 -6.786 5.804 -7.265 231 HD3 LYS 499 2HD LYS 499 -6.606 5.744 -5.510 232 HE2 LYS 499 1HE LYS 499 -7.314 7.861 -5.513 233 HE3 LYS 499 2HE LYS 499 -5.722 8.273 -6.148 234 HZ1 LYS 499 1HZ LYS 499 -6.527 8.390 -8.305 235 HZ2 LYS 499 2HZ LYS 499 -7.779 9.086 -7.405 236 HZ3 LYS 499 3HZ LYS 499 -7.919 7.493 -7.958 237 H VAL 500 H VAL 500 -3.626 1.976 -6.425 238 HA VAL 500 HA VAL 500 -0.809 1.800 -6.212 239 HB VAL 500 HB VAL 500 -2.668 0.483 -8.197 240 HG11 VAL 500 1HG1 VAL 500 -0.514 -1.171 -7.910 241 HG12 VAL 500 2HG1 VAL 500 -0.762 -0.048 -9.249 242 HG13 VAL 500 3HG1 VAL 500 0.240 0.423 -7.876 243 HG21 VAL 500 1HG2 VAL 500 -3.101 0.001 -5.790 244 HG22 VAL 500 2HG2 VAL 500 -2.638 -1.416 -6.733 245 HG23 VAL 500 3HG2 VAL 500 -1.462 -0.640 -5.673 246 H LEU 501 H LEU 501 0.798 2.557 -7.471 247 HA LEU 501 HA LEU 501 0.071 3.931 -9.970 248 HB2 LEU 501 1HB LEU 501 1.451 4.964 -7.594 249 HB3 LEU 501 2HB LEU 501 2.256 5.316 -9.122 250 HG LEU 501 HG LEU 501 0.027 6.273 -9.895 251 HD11 LEU 501 1HD1 LEU 501 -0.548 5.733 -7.021 252 HD12 LEU 501 2HD1 LEU 501 -1.591 5.561 -8.433 253 HD13 LEU 501 3HD1 LEU 501 -1.239 7.164 -7.787 254 HD21 LEU 501 1HD2 LEU 501 0.953 7.910 -7.615 255 HD22 LEU 501 2HD2 LEU 501 0.752 8.336 -9.316 256 HD23 LEU 501 3HD2 LEU 501 2.174 7.433 -8.795 257 H SER 502 H SER 502 2.740 2.545 -8.075 258 HA SER 502 HA SER 502 3.956 1.666 -10.611 259 HB2 SER 502 1HB SER 502 5.157 3.041 -8.273 260 HB3 SER 502 2HB SER 502 6.105 1.734 -8.983 261 HG SER 502 HG SER 502 6.489 2.940 -10.662 262 H ILE 503 H ILE 503 5.403 -0.247 -10.343 263 HA ILE 503 HA ILE 503 4.458 -2.035 -8.203 264 HB ILE 503 HB ILE 503 4.947 -2.858 -11.067 265 HG12 ILE 503 1HG1 ILE 503 2.904 -1.501 -10.828 266 HG13 ILE 503 2HG1 ILE 503 2.526 -3.178 -11.209 267 HG21 ILE 503 1HG2 ILE 503 3.461 -4.791 -9.702 268 HG22 ILE 503 2HG2 ILE 503 5.140 -4.904 -10.228 269 HG23 ILE 503 3HG2 ILE 503 4.761 -4.329 -8.604 270 HD11 ILE 503 1HD1 ILE 503 1.077 -2.099 -9.474 271 HD12 ILE 503 2HD1 ILE 503 1.839 -3.614 -8.987 272 HD13 ILE 503 3HD1 ILE 503 2.487 -2.077 -8.415 273 H GLY 504 H GLY 504 5.967 -3.329 -7.255 274 HA2 GLY 504 1HA GLY 504 8.753 -2.799 -8.002 275 HA3 GLY 504 2HA GLY 504 8.203 -3.445 -6.463 276 H GLU 505 H GLU 505 8.110 -5.614 -6.169 277 HA GLU 505 HA GLU 505 8.951 -7.270 -8.454 278 HB2 GLU 505 1HB GLU 505 9.769 -8.872 -6.717 279 HB3 GLU 505 2HB GLU 505 10.599 -7.323 -6.713 280 HG2 GLU 505 1HG GLU 505 9.983 -6.882 -4.626 281 HG3 GLU 505 2HG GLU 505 8.311 -7.348 -4.933 282 H GLY 506 H GLY 506 6.185 -6.450 -7.627 283 HA2 GLY 506 1HA GLY 506 4.192 -7.625 -8.058 284 HA3 GLY 506 2HA GLY 506 5.040 -9.132 -7.747 285 H GLY 507 H GLY 507 6.130 -7.724 -5.226 286 HA2 GLY 507 1HA GLY 507 3.761 -8.344 -3.581 287 HA3 GLY 507 2HA GLY 507 5.427 -8.525 -3.052 288 H PHE 508 H PHE 508 6.034 -5.864 -4.374 289 HA PHE 508 HA PHE 508 4.782 -4.127 -2.351 290 HB2 PHE 508 1HB PHE 508 7.464 -4.864 -2.422 291 HB3 PHE 508 2HB PHE 508 7.443 -3.260 -3.148 292 HD1 PHE 508 1HD PHE 508 5.552 -4.835 -0.343 293 HD2 PHE 508 2HD PHE 508 8.104 -1.680 -1.627 294 HE1 PHE 508 1HE PHE 508 5.430 -3.828 1.899 295 HE2 PHE 508 2HE PHE 508 7.988 -0.670 0.613 296 HZ PHE 508 HZ PHE 508 6.650 -1.743 2.380 297 H TRP 509 H TRP 509 3.547 -2.689 -3.348 298 HA TRP 509 HA TRP 509 4.453 -1.610 -5.936 299 HB2 TRP 509 1HB TRP 509 1.607 -1.746 -4.925 300 HB3 TRP 509 2HB TRP 509 2.139 -1.263 -6.534 301 HD1 TRP 509 HD TRP 509 4.295 -3.897 -6.470 302 HE1 TRP 509 1HE TRP 509 3.283 -6.161 -7.162 303 HE3 TRP 509 3HE TRP 509 -0.657 -2.809 -5.813 304 HZ2 TRP 509 2HZ TRP 509 0.726 -7.330 -7.399 305 HZ3 TRP 509 3HZ TRP 509 -2.322 -4.555 -6.294 306 HH2 TRP 509 HH TRP 509 -1.643 -6.768 -7.071 307 H GLU 510 H GLU 510 4.305 0.604 -6.307 308 HA GLU 510 HA GLU 510 4.246 2.223 -3.877 309 HB2 GLU 510 1HB GLU 510 6.078 3.029 -4.906 310 HB3 GLU 510 2HB GLU 510 5.596 2.379 -6.467 311 HG2 GLU 510 1HG GLU 510 5.758 4.772 -6.599 312 HG3 GLU 510 2HG GLU 510 4.074 4.282 -6.771 313 H GLY 511 H GLY 511 2.652 3.599 -3.394 314 HA2 GLY 511 1HA GLY 511 0.987 4.779 -5.432 315 HA3 GLY 511 2HA GLY 511 0.156 3.572 -4.462 316 H THR 512 H THR 512 -1.246 5.335 -3.823 317 HA THR 512 HA THR 512 -0.108 6.825 -1.559 318 HB THR 512 HB THR 512 -1.960 7.969 -3.657 319 HG1 THR 512 1HG THR 512 0.544 9.011 -2.851 320 HG21 THR 512 1HG2 THR 512 -1.249 10.054 -2.057 321 HG22 THR 512 2HG2 THR 512 -1.417 8.752 -0.878 322 HG23 THR 512 3HG2 THR 512 -2.769 9.170 -1.931 323 H VAL 513 H VAL 513 -1.395 6.981 0.225 324 HA VAL 513 HA VAL 513 -4.196 6.210 0.074 325 HB VAL 513 HB VAL 513 -2.754 4.113 0.439 326 HG11 VAL 513 1HG1 VAL 513 -2.690 4.922 3.308 327 HG12 VAL 513 2HG1 VAL 513 -1.697 3.746 2.445 328 HG13 VAL 513 3HG1 VAL 513 -1.406 5.473 2.233 329 HG21 VAL 513 1HG2 VAL 513 -4.376 3.584 2.537 330 HG22 VAL 513 2HG2 VAL 513 -5.172 5.005 1.860 331 HG23 VAL 513 3HG2 VAL 513 -4.904 3.581 0.854 332 H LYS 514 H LYS 514 -5.413 7.268 1.529 333 HA LYS 514 HA LYS 514 -5.975 8.829 3.091 334 HB2 LYS 514 1HB LYS 514 -3.701 7.695 4.716 335 HB3 LYS 514 2HB LYS 514 -5.181 8.438 5.305 336 HG2 LYS 514 1HG LYS 514 -4.957 5.796 3.880 337 HG3 LYS 514 2HG LYS 514 -5.263 6.043 5.601 338 HD2 LYS 514 1HD LYS 514 -7.061 7.047 3.397 339 HD3 LYS 514 2HD LYS 514 -7.303 5.524 4.256 340 HE2 LYS 514 1HE LYS 514 -8.647 6.887 5.501 341 HE3 LYS 514 2HE LYS 514 -7.128 7.095 6.371 342 HZ1 LYS 514 1HZ LYS 514 -8.604 9.122 5.504 343 HZ2 LYS 514 2HZ LYS 514 -7.596 8.923 4.160 344 HZ3 LYS 514 3HZ LYS 514 -6.924 9.216 5.684 345 H GLY 515 H GLY 515 -3.869 9.506 1.112 346 HA2 GLY 515 1HA GLY 515 -2.966 11.654 0.733 347 HA3 GLY 515 2HA GLY 515 -2.922 11.916 2.470 348 H ARG 516 H ARG 516 -1.645 9.251 2.877 349 HA ARG 516 HA ARG 516 1.064 10.148 2.697 350 HB2 ARG 516 1HB ARG 516 -0.077 7.470 3.512 351 HB3 ARG 516 2HB ARG 516 1.606 7.944 3.696 352 HG2 ARG 516 1HG ARG 516 1.006 8.578 5.746 353 HG3 ARG 516 2HG ARG 516 0.303 9.988 4.949 354 HD2 ARG 516 1HD ARG 516 -1.832 8.718 4.743 355 HD3 ARG 516 2HD ARG 516 -1.104 7.432 5.706 356 HE ARG 516 HE ARG 516 -2.199 9.873 6.671 357 HH11 ARG 516 1HH1 ARG 516 0.426 7.873 8.939 358 HH12 ARG 516 2HH1 ARG 516 0.318 7.536 7.243 359 HH21 ARG 516 1HH2 ARG 516 -0.931 9.459 9.882 360 HH22 ARG 516 2HH2 ARG 516 -2.066 10.326 8.903 361 H THR 517 H THR 517 2.689 9.479 1.363 362 HA THR 517 HA THR 517 1.895 7.760 -0.896 363 HB THR 517 HB THR 517 3.914 10.012 -0.875 364 HG1 THR 517 1HG THR 517 2.371 10.968 -2.312 365 HG21 THR 517 1HG2 THR 517 4.669 8.287 -2.374 366 HG22 THR 517 2HG2 THR 517 3.991 9.601 -3.334 367 HG23 THR 517 3HG2 THR 517 3.058 8.128 -3.072 368 H GLY 518 H GLY 518 3.309 6.180 -1.614 369 HA2 GLY 518 1HA GLY 518 5.907 5.706 -1.223 370 HA3 GLY 518 2HA GLY 518 5.260 5.309 0.362 371 H TRP 519 H TRP 519 6.294 3.204 -0.310 372 HA TRP 519 HA TRP 519 4.664 1.641 -2.161 373 HB2 TRP 519 1HB TRP 519 7.185 0.867 -0.674 374 HB3 TRP 519 2HB TRP 519 6.392 -0.078 -1.933 375 HD1 TRP 519 HD TRP 519 8.105 3.386 -1.559 376 HE1 TRP 519 1HE TRP 519 9.252 3.944 -3.794 377 HE3 TRP 519 3HE TRP 519 6.586 -0.664 -4.285 378 HZ2 TRP 519 2HZ TRP 519 9.481 2.818 -6.372 379 HZ3 TRP 519 3HZ TRP 519 7.313 -0.847 -6.629 380 HH2 TRP 519 HH TRP 519 8.730 0.859 -7.649 381 H PHE 520 H PHE 520 3.776 -0.409 -1.555 382 HA PHE 520 HA PHE 520 3.555 -1.020 1.273 383 HB2 PHE 520 1HB PHE 520 1.039 -1.107 1.118 384 HB3 PHE 520 2HB PHE 520 1.729 0.514 1.089 385 HD1 PHE 520 1HD PHE 520 0.236 -2.137 -0.998 386 HD2 PHE 520 2HD PHE 520 1.414 1.945 -0.759 387 HE1 PHE 520 1HE PHE 520 -0.962 -1.673 -3.097 388 HE2 PHE 520 2HE PHE 520 0.217 2.417 -2.855 389 HZ PHE 520 HZ PHE 520 -0.974 0.607 -4.028 390 HA PRO 521 HA PRO 521 3.377 -5.166 -0.149 391 HB2 PRO 521 1HB PRO 521 1.849 -6.338 1.763 392 HB3 PRO 521 2HB PRO 521 3.510 -5.810 2.052 393 HG2 PRO 521 1HG PRO 521 0.940 -4.441 2.744 394 HG3 PRO 521 2HG PRO 521 2.410 -4.619 3.719 395 HD2 PRO 521 1HD PRO 521 1.818 -2.342 2.379 396 HD3 PRO 521 2HD PRO 521 3.486 -2.890 2.640 397 H ALA 522 H ALA 522 2.288 -5.689 -1.939 398 HA ALA 522 HA ALA 522 -0.337 -4.975 -2.554 399 HB1 ALA 522 1HB ALA 522 1.377 -5.666 -4.202 400 HB2 ALA 522 2HB ALA 522 1.178 -7.334 -3.663 401 HB3 ALA 522 3HB ALA 522 -0.169 -6.485 -4.420 402 H ASP 523 H ASP 523 0.880 -7.561 -0.626 403 HA ASP 523 HA ASP 523 -1.334 -9.325 -0.835 404 HB2 ASP 523 1HB ASP 523 0.893 -10.014 0.005 405 HB3 ASP 523 2HB ASP 523 0.636 -9.028 1.442 406 H CYS 524 H CYS 524 -1.081 -6.280 0.506 407 HA CYS 524 HA CYS 524 -3.316 -6.796 2.355 408 HB2 CYS 524 1HB CYS 524 -1.350 -4.500 2.458 409 HB3 CYS 524 2HB CYS 524 -2.606 -4.860 3.637 410 HG CYS 524 HG CYS 524 -0.009 -5.489 4.625 411 H VAL 525 H VAL 525 -2.928 -5.913 -0.647 412 HA VAL 525 HA VAL 525 -5.045 -3.874 -0.527 413 HB VAL 525 HB VAL 525 -4.079 -2.559 -2.234 414 HG11 VAL 525 1HG1 VAL 525 -2.910 -2.782 0.188 415 HG12 VAL 525 2HG1 VAL 525 -1.528 -3.089 -0.865 416 HG13 VAL 525 3HG1 VAL 525 -2.444 -1.591 -1.024 417 HG21 VAL 525 1HG2 VAL 525 -1.627 -3.530 -2.946 418 HG22 VAL 525 2HG2 VAL 525 -2.583 -5.006 -2.817 419 HG23 VAL 525 3HG2 VAL 525 -3.103 -3.710 -3.894 420 H GLU 526 H GLU 526 -6.463 -3.828 -2.334 421 HA GLU 526 HA GLU 526 -6.235 -5.927 -4.325 422 HB2 GLU 526 1HB GLU 526 -8.135 -6.012 -2.060 423 HB3 GLU 526 2HB GLU 526 -8.813 -6.374 -3.642 424 HG2 GLU 526 1HG GLU 526 -8.090 -8.448 -3.410 425 HG3 GLU 526 2HG GLU 526 -6.439 -7.835 -3.503 426 H GLU 527 H GLU 527 -7.194 -5.398 -6.221 427 HA GLU 527 HA GLU 527 -7.848 -2.784 -6.817 428 HB2 GLU 527 1HB GLU 527 -8.880 -5.240 -8.246 429 HB3 GLU 527 2HB GLU 527 -8.760 -3.619 -8.916 430 HG2 GLU 527 1HG GLU 527 -6.532 -3.773 -9.264 431 HG3 GLU 527 2HG GLU 527 -6.270 -4.803 -7.858 432 H VAL 528 H VAL 528 -9.881 -1.806 -7.435 433 HA VAL 528 HA VAL 528 -11.805 -1.758 -5.503 434 HB VAL 528 HB VAL 528 -13.381 -0.914 -7.329 435 HG11 VAL 528 1HG1 VAL 528 -10.835 0.611 -7.473 436 HG12 VAL 528 2HG1 VAL 528 -12.476 1.174 -7.154 437 HG13 VAL 528 3HG1 VAL 528 -11.562 0.354 -5.888 438 HG21 VAL 528 1HG2 VAL 528 -11.170 -0.511 -9.178 439 HG22 VAL 528 2HG2 VAL 528 -11.611 -2.209 -8.996 440 HG23 VAL 528 3HG2 VAL 528 -12.826 -1.030 -9.491 441 H GLN 529 H GLN 529 -12.777 -3.529 -4.709 442 HA GLN 529 HA GLN 529 -13.660 -5.672 -6.430 443 HB2 GLN 529 1HB GLN 529 -14.040 -5.257 -3.459 444 HB3 GLN 529 2HB GLN 529 -14.418 -6.732 -4.339 445 HG2 GLN 529 1HG GLN 529 -11.672 -5.522 -4.130 446 HG3 GLN 529 2HG GLN 529 -12.279 -6.830 -3.115 447 HE21 GLN 529 1HE2 GLN 529 -11.231 -7.518 -6.997 448 HE22 GLN 529 2HE2 GLN 529 -11.520 -5.914 -6.422 449 H MET 530 H MET 530 -15.720 -6.162 -7.018 450 HA MET 530 HA MET 530 -17.694 -4.053 -6.698 451 HB2 MET 530 1HB MET 530 -17.877 -6.617 -8.289 452 HB3 MET 530 2HB MET 530 -18.966 -5.240 -8.396 453 HG2 MET 530 1HG MET 530 -17.035 -3.863 -9.157 454 HG3 MET 530 2HG MET 530 -16.075 -5.340 -9.209 455 HE1 MET 530 1HE MET 530 -16.322 -6.125 -12.714 456 HE2 MET 530 2HE MET 530 -15.393 -5.843 -11.242 457 HE3 MET 530 3HE MET 530 -16.438 -7.258 -11.367 Start of MODEL 13 1 H1 MET 470 H MET 470 -12.607 0.870 -23.478 2 HA MET 470 HA MET 470 -11.203 2.694 -21.990 3 HB2 MET 470 1HB MET 470 -14.194 2.270 -22.085 4 HB3 MET 470 2HB MET 470 -13.419 3.699 -21.413 5 HG2 MET 470 1HG MET 470 -12.436 4.190 -23.595 6 HG3 MET 470 2HG MET 470 -13.220 2.761 -24.265 7 HE1 MET 470 1HE MET 470 -16.391 3.544 -25.323 8 HE2 MET 470 2HE MET 470 -15.363 2.322 -24.575 9 HE3 MET 470 3HE MET 470 -16.656 3.078 -23.642 10 H VAL 471 H VAL 471 -11.014 3.233 -19.834 11 HA VAL 471 HA VAL 471 -11.806 1.121 -17.941 12 HB VAL 471 HB VAL 471 -9.396 1.408 -18.080 13 HG11 VAL 471 1HG1 VAL 471 -9.358 3.726 -18.859 14 HG12 VAL 471 2HG1 VAL 471 -9.895 4.272 -17.268 15 HG13 VAL 471 3HG1 VAL 471 -8.317 3.505 -17.453 16 HG21 VAL 471 1HG2 VAL 471 -10.254 0.783 -15.930 17 HG22 VAL 471 2HG2 VAL 471 -8.937 1.932 -15.688 18 HG23 VAL 471 3HG2 VAL 471 -10.611 2.463 -15.530 19 HA PRO 472 HA PRO 472 -14.579 4.030 -16.093 20 HB2 PRO 472 1HB PRO 472 -15.058 2.648 -13.805 21 HB3 PRO 472 2HB PRO 472 -15.756 2.196 -15.364 22 HG2 PRO 472 1HG PRO 472 -13.372 1.059 -13.957 23 HG3 PRO 472 2HG PRO 472 -14.672 0.213 -14.817 24 HD2 PRO 472 1HD PRO 472 -12.244 0.666 -15.928 25 HD3 PRO 472 2HD PRO 472 -13.738 0.619 -16.885 26 H GLY 473 H GLY 473 -11.968 2.625 -14.121 27 HA2 GLY 473 1HA GLY 473 -10.848 5.060 -13.357 28 HA3 GLY 473 2HA GLY 473 -12.011 4.620 -12.114 29 H ARG 474 H ARG 474 -9.098 4.861 -11.941 30 HA ARG 474 HA ARG 474 -8.370 2.073 -11.338 31 HB2 ARG 474 1HB ARG 474 -6.986 3.897 -12.821 32 HB3 ARG 474 2HB ARG 474 -6.259 4.124 -11.235 33 HG2 ARG 474 1HG ARG 474 -6.566 1.332 -12.127 34 HG3 ARG 474 2HG ARG 474 -5.405 2.317 -13.019 35 HD2 ARG 474 1HD ARG 474 -4.837 2.959 -10.422 36 HD3 ARG 474 2HD ARG 474 -5.280 1.258 -10.295 37 HE ARG 474 HE ARG 474 -2.904 2.332 -11.455 38 HH11 ARG 474 1HH1 ARG 474 -4.031 -1.414 -12.311 39 HH12 ARG 474 2HH1 ARG 474 -5.172 -0.304 -11.628 40 HH21 ARG 474 1HH2 ARG 474 -1.880 -0.740 -12.724 41 HH22 ARG 474 2HH2 ARG 474 -1.391 0.880 -12.356 42 H LYS 475 H LYS 475 -9.088 1.743 -9.295 43 HA LYS 475 HA LYS 475 -7.871 3.397 -7.201 44 HB2 LYS 475 1HB LYS 475 -10.070 4.275 -7.266 45 HB3 LYS 475 2HB LYS 475 -10.785 2.680 -7.461 46 HG2 LYS 475 1HG LYS 475 -10.575 2.160 -5.234 47 HG3 LYS 475 2HG LYS 475 -9.242 3.290 -4.986 48 HD2 LYS 475 1HD LYS 475 -12.081 4.128 -5.564 49 HD3 LYS 475 2HD LYS 475 -11.406 3.986 -3.939 50 HE2 LYS 475 1HE LYS 475 -9.543 5.551 -4.898 51 HE3 LYS 475 2HE LYS 475 -10.772 5.950 -6.099 52 HZ1 LYS 475 1HZ LYS 475 -11.348 6.073 -3.203 53 HZ2 LYS 475 2HZ LYS 475 -12.179 6.816 -4.476 54 HZ3 LYS 475 3HZ LYS 475 -10.650 7.381 -4.019 55 H PHE 476 H PHE 476 -7.542 2.327 -5.202 56 HA PHE 476 HA PHE 476 -7.903 -0.591 -5.273 57 HB2 PHE 476 1HB PHE 476 -5.408 0.976 -4.934 58 HB3 PHE 476 2HB PHE 476 -5.611 -0.411 -3.868 59 HD1 PHE 476 1HD PHE 476 -5.505 0.627 -7.415 60 HD2 PHE 476 2HD PHE 476 -5.275 -2.598 -4.647 61 HE1 PHE 476 1HE PHE 476 -4.743 -0.862 -9.219 62 HE2 PHE 476 2HE PHE 476 -4.512 -4.092 -6.446 63 HZ PHE 476 HZ PHE 476 -4.245 -3.225 -8.736 64 H ILE 477 H ILE 477 -7.801 -1.613 -3.132 65 HA ILE 477 HA ILE 477 -8.396 0.200 -0.905 66 HB ILE 477 HB ILE 477 -10.541 -0.592 -1.935 67 HG12 ILE 477 1HG1 ILE 477 -11.203 -1.731 0.453 68 HG13 ILE 477 2HG1 ILE 477 -9.705 -0.908 0.875 69 HG21 ILE 477 1HG2 ILE 477 -9.760 -2.823 -2.594 70 HG22 ILE 477 2HG2 ILE 477 -9.651 -3.278 -0.895 71 HG23 ILE 477 3HG2 ILE 477 -11.220 -2.901 -1.607 72 HD11 ILE 477 1HD1 ILE 477 -12.303 0.235 -0.027 73 HD12 ILE 477 2HD1 ILE 477 -11.281 0.693 1.336 74 HD13 ILE 477 3HD1 ILE 477 -10.807 1.124 -0.307 75 H ALA 478 H ALA 478 -7.562 -0.424 1.009 76 HA ALA 478 HA ALA 478 -5.817 -2.726 1.036 77 HB1 ALA 478 1HB ALA 478 -5.824 -1.670 3.594 78 HB2 ALA 478 2HB ALA 478 -4.680 -1.294 2.306 79 HB3 ALA 478 3HB ALA 478 -6.098 -0.273 2.553 80 H VAL 479 H VAL 479 -6.104 -4.610 2.108 81 HA VAL 479 HA VAL 479 -8.717 -5.009 3.401 82 HB VAL 479 HB VAL 479 -8.133 -7.486 3.070 83 HG11 VAL 479 1HG1 VAL 479 -8.993 -5.501 1.060 84 HG12 VAL 479 2HG1 VAL 479 -8.597 -7.111 0.455 85 HG13 VAL 479 3HG1 VAL 479 -9.836 -6.914 1.696 86 HG21 VAL 479 1HG2 VAL 479 -6.315 -8.111 1.915 87 HG22 VAL 479 2HG2 VAL 479 -6.480 -6.796 0.752 88 HG23 VAL 479 3HG2 VAL 479 -5.703 -6.505 2.308 89 H LYS 480 H LYS 480 -5.257 -5.395 3.813 90 HA LYS 480 HA LYS 480 -5.715 -6.286 6.583 91 HB2 LYS 480 1HB LYS 480 -3.073 -6.521 5.181 92 HB3 LYS 480 2HB LYS 480 -3.690 -7.453 6.538 93 HG2 LYS 480 1HG LYS 480 -4.581 -7.648 3.670 94 HG3 LYS 480 2HG LYS 480 -3.625 -8.830 4.567 95 HD2 LYS 480 1HD LYS 480 -6.471 -8.013 5.158 96 HD3 LYS 480 2HD LYS 480 -5.950 -9.535 4.429 97 HE2 LYS 480 1HE LYS 480 -5.405 -8.552 7.223 98 HE3 LYS 480 2HE LYS 480 -6.387 -9.936 6.744 99 HZ1 LYS 480 1HZ LYS 480 -4.008 -10.510 5.629 100 HZ2 LYS 480 2HZ LYS 480 -4.528 -11.088 7.132 101 HZ3 LYS 480 3HZ LYS 480 -3.526 -9.728 7.049 102 H ALA 481 H ALA 481 -3.452 -5.702 7.833 103 HA ALA 481 HA ALA 481 -3.259 -2.771 7.608 104 HB1 ALA 481 1HB ALA 481 -3.973 -4.308 9.786 105 HB2 ALA 481 2HB ALA 481 -2.288 -3.895 10.103 106 HB3 ALA 481 3HB ALA 481 -3.469 -2.618 9.822 107 H HIS 482 H HIS 482 -1.194 -1.787 8.108 108 HA HIS 482 HA HIS 482 1.190 -3.328 8.287 109 HB2 HIS 482 1HB HIS 482 0.688 -3.768 5.927 110 HB3 HIS 482 2HB HIS 482 0.594 -2.037 5.615 111 HD1 HIS 482 1HD HIS 482 3.088 -4.730 6.480 112 HD2 HIS 482 2HD HIS 482 3.007 -0.793 5.153 113 HE1 HIS 482 1HE HIS 482 5.458 -4.190 5.833 114 H SER 483 H SER 483 3.077 -2.025 8.499 115 HA SER 483 HA SER 483 2.514 0.847 8.844 116 HB2 SER 483 1HB SER 483 4.679 -0.017 10.530 117 HB3 SER 483 2HB SER 483 3.150 0.731 10.990 118 HG SER 483 HG SER 483 3.850 -1.975 10.862 119 HA PRO 484 HA PRO 484 5.970 1.748 6.297 120 HB2 PRO 484 1HB PRO 484 6.953 3.991 7.470 121 HB3 PRO 484 2HB PRO 484 5.442 3.969 6.553 122 HG2 PRO 484 1HG PRO 484 5.862 3.862 9.515 123 HG3 PRO 484 2HG PRO 484 4.671 4.791 8.588 124 HD2 PRO 484 1HD PRO 484 4.052 2.474 9.846 125 HD3 PRO 484 2HD PRO 484 3.268 2.980 8.334 126 H GLN 485 H GLN 485 7.602 0.301 6.395 127 HA GLN 485 HA GLN 485 9.042 -0.511 8.605 128 HB2 GLN 485 1HB GLN 485 9.563 -0.518 5.671 129 HB3 GLN 485 2HB GLN 485 10.905 -0.889 6.745 130 HG2 GLN 485 1HG GLN 485 9.842 -2.924 6.034 131 HG3 GLN 485 2HG GLN 485 9.573 -2.686 7.760 132 HE21 GLN 485 1HE2 GLN 485 6.109 -2.472 7.530 133 HE22 GLN 485 2HE2 GLN 485 7.519 -2.285 8.510 134 H GLY 486 H GLY 486 9.476 2.326 6.603 135 HA2 GLY 486 1HA GLY 486 10.802 3.854 8.462 136 HA3 GLY 486 2HA GLY 486 12.073 2.994 7.604 137 H GLU 487 H GLU 487 12.111 3.229 5.230 138 HA GLU 487 HA GLU 487 11.017 5.827 4.374 139 HB2 GLU 487 1HB GLU 487 13.665 4.768 3.416 140 HB3 GLU 487 2HB GLU 487 13.033 6.403 3.293 141 HG2 GLU 487 1HG GLU 487 13.108 6.376 5.873 142 HG3 GLU 487 2HG GLU 487 14.195 5.005 5.663 143 H GLY 488 H GLY 488 9.838 5.764 2.573 144 HA2 GLY 488 1HA GLY 488 9.259 5.133 0.396 145 HA3 GLY 488 2HA GLY 488 10.415 3.813 0.495 146 H GLU 489 H GLU 489 8.125 4.262 3.055 147 HA GLU 489 HA GLU 489 6.335 2.235 1.945 148 HB2 GLU 489 1HB GLU 489 7.692 1.973 4.635 149 HB3 GLU 489 2HB GLU 489 6.415 0.923 4.036 150 HG2 GLU 489 1HG GLU 489 8.082 -0.379 3.342 151 HG3 GLU 489 2HG GLU 489 8.233 0.776 2.019 152 H ILE 490 H ILE 490 4.242 2.403 2.624 153 HA ILE 490 HA ILE 490 3.659 4.569 4.537 154 HB ILE 490 HB ILE 490 1.411 4.659 3.268 155 HG12 ILE 490 1HG1 ILE 490 3.167 3.363 1.171 156 HG13 ILE 490 2HG1 ILE 490 1.773 2.617 1.942 157 HG21 ILE 490 1HG2 ILE 490 2.206 6.403 1.918 158 HG22 ILE 490 2HG2 ILE 490 3.337 6.331 3.269 159 HG23 ILE 490 3HG2 ILE 490 3.781 5.640 1.709 160 HD11 ILE 490 1HD1 ILE 490 0.832 5.027 0.910 161 HD12 ILE 490 2HD1 ILE 490 1.890 4.360 -0.334 162 HD13 ILE 490 3HD1 ILE 490 0.543 3.405 0.283 163 HA PRO 491 HA PRO 491 1.357 1.775 7.018 164 HB2 PRO 491 1HB PRO 491 -0.672 3.355 7.889 165 HB3 PRO 491 2HB PRO 491 0.992 3.527 8.458 166 HG2 PRO 491 1HG PRO 491 -0.471 5.106 6.378 167 HG3 PRO 491 2HG PRO 491 0.612 5.678 7.661 168 HD2 PRO 491 1HD PRO 491 1.420 5.392 5.092 169 HD3 PRO 491 2HD PRO 491 2.511 5.143 6.469 170 H LEU 492 H LEU 492 -0.874 0.878 7.380 171 HA LEU 492 HA LEU 492 -2.742 1.195 5.185 172 HB2 LEU 492 1HB LEU 492 -1.221 -1.344 5.702 173 HB3 LEU 492 2HB LEU 492 -2.778 -1.336 4.874 174 HG LEU 492 HG LEU 492 -0.247 0.013 3.934 175 HD11 LEU 492 1HD1 LEU 492 -0.707 -1.669 2.009 176 HD12 LEU 492 2HD1 LEU 492 -1.635 -2.537 3.230 177 HD13 LEU 492 3HD1 LEU 492 0.083 -2.225 3.484 178 HD21 LEU 492 1HD2 LEU 492 -1.531 1.289 2.652 179 HD22 LEU 492 2HD2 LEU 492 -2.984 0.541 3.314 180 HD23 LEU 492 3HD2 LEU 492 -2.195 -0.162 1.900 181 H HIS 493 H HIS 493 -4.820 0.498 5.667 182 HA HIS 493 HA HIS 493 -5.300 -0.868 8.193 183 HB2 HIS 493 1HB HIS 493 -5.741 1.995 7.772 184 HB3 HIS 493 2HB HIS 493 -7.180 1.147 8.332 185 HD1 HIS 493 1HD HIS 493 -7.325 0.720 10.778 186 HD2 HIS 493 2HD HIS 493 -3.450 1.605 9.568 187 HE1 HIS 493 1HE HIS 493 -5.981 0.890 12.896 188 H ARG 494 H ARG 494 -6.950 -2.252 8.030 189 HA ARG 494 HA ARG 494 -8.177 -2.924 5.677 190 HB2 ARG 494 1HB ARG 494 -9.962 -3.990 7.130 191 HB3 ARG 494 2HB ARG 494 -8.302 -4.458 7.475 192 HG2 ARG 494 1HG ARG 494 -8.250 -2.914 9.363 193 HG3 ARG 494 2HG ARG 494 -9.909 -2.428 9.012 194 HD2 ARG 494 1HD ARG 494 -9.208 -5.301 9.495 195 HD3 ARG 494 2HD ARG 494 -9.492 -4.199 10.841 196 HE ARG 494 HE ARG 494 -11.587 -4.168 8.881 197 HH11 ARG 494 1HH1 ARG 494 -11.895 -6.401 12.190 198 HH12 ARG 494 2HH1 ARG 494 -10.352 -5.777 11.711 199 HH21 ARG 494 1HH2 ARG 494 -13.757 -5.949 10.932 200 HH22 ARG 494 2HH2 ARG 494 -13.625 -4.983 9.502 201 H GLY 495 H GLY 495 -9.515 -1.860 4.384 202 HA2 GLY 495 1HA GLY 495 -11.663 -0.891 3.965 203 HA3 GLY 495 2HA GLY 495 -11.640 -0.223 5.590 204 H GLU 496 H GLU 496 -8.624 0.236 4.363 205 HA GLU 496 HA GLU 496 -9.106 3.046 3.949 206 HB2 GLU 496 1HB GLU 496 -6.693 1.299 4.135 207 HB3 GLU 496 2HB GLU 496 -6.531 2.876 3.375 208 HG2 GLU 496 1HG GLU 496 -7.707 3.738 5.525 209 HG3 GLU 496 2HG GLU 496 -7.183 2.198 6.205 210 H ALA 497 H ALA 497 -8.373 4.219 2.058 211 HA ALA 497 HA ALA 497 -8.868 2.691 -0.399 212 HB1 ALA 497 1HB ALA 497 -9.125 5.074 -1.359 213 HB2 ALA 497 2HB ALA 497 -10.401 4.431 -0.324 214 HB3 ALA 497 3HB ALA 497 -9.226 5.572 0.332 215 H VAL 498 H VAL 498 -7.023 1.973 -1.268 216 HA VAL 498 HA VAL 498 -4.647 3.692 -1.217 217 HB VAL 498 HB VAL 498 -4.621 0.887 -2.263 218 HG11 VAL 498 1HG1 VAL 498 -2.343 0.917 -1.449 219 HG12 VAL 498 2HG1 VAL 498 -2.631 2.336 -2.459 220 HG13 VAL 498 3HG1 VAL 498 -2.599 2.494 -0.702 221 HG21 VAL 498 1HG2 VAL 498 -4.160 0.085 0.035 222 HG22 VAL 498 2HG2 VAL 498 -4.612 1.675 0.651 223 HG23 VAL 498 3HG2 VAL 498 -5.809 0.676 -0.173 224 H LYS 499 H LYS 499 -3.391 3.996 -3.135 225 HA LYS 499 HA LYS 499 -4.867 3.598 -5.648 226 HB2 LYS 499 1HB LYS 499 -4.737 6.024 -4.508 227 HB3 LYS 499 2HB LYS 499 -3.212 6.049 -5.384 228 HG2 LYS 499 1HG LYS 499 -4.586 6.947 -6.958 229 HG3 LYS 499 2HG LYS 499 -4.730 5.239 -7.377 230 HD2 LYS 499 1HD LYS 499 -6.939 5.994 -7.349 231 HD3 LYS 499 2HD LYS 499 -6.739 5.226 -5.771 232 HE2 LYS 499 1HE LYS 499 -6.833 7.204 -4.645 233 HE3 LYS 499 2HE LYS 499 -6.113 8.118 -5.970 234 HZ1 LYS 499 1HZ LYS 499 -8.110 8.654 -6.741 235 HZ2 LYS 499 2HZ LYS 499 -8.762 8.050 -5.302 236 HZ3 LYS 499 3HZ LYS 499 -8.668 7.059 -6.670 237 H VAL 500 H VAL 500 -3.619 1.970 -6.445 238 HA VAL 500 HA VAL 500 -0.800 1.849 -6.242 239 HB VAL 500 HB VAL 500 -2.655 0.478 -8.193 240 HG11 VAL 500 1HG1 VAL 500 0.260 0.490 -7.937 241 HG12 VAL 500 2HG1 VAL 500 -0.456 -1.122 -7.949 242 HG13 VAL 500 3HG1 VAL 500 -0.759 -0.010 -9.286 243 HG21 VAL 500 1HG2 VAL 500 -2.587 -1.394 -6.722 244 HG22 VAL 500 2HG2 VAL 500 -1.352 -0.638 -5.716 245 HG23 VAL 500 3HG2 VAL 500 -2.988 0.019 -5.747 246 H LEU 501 H LEU 501 0.788 2.642 -7.496 247 HA LEU 501 HA LEU 501 0.037 3.965 -10.015 248 HB2 LEU 501 1HB LEU 501 1.348 5.068 -7.644 249 HB3 LEU 501 2HB LEU 501 2.202 5.396 -9.150 250 HG LEU 501 HG LEU 501 0.022 6.334 -10.031 251 HD11 LEU 501 1HD1 LEU 501 -1.508 7.148 -8.187 252 HD12 LEU 501 2HD1 LEU 501 -0.708 5.980 -7.137 253 HD13 LEU 501 3HD1 LEU 501 -1.584 5.427 -8.564 254 HD21 LEU 501 1HD2 LEU 501 2.072 7.526 -8.782 255 HD22 LEU 501 2HD2 LEU 501 0.763 7.982 -7.692 256 HD23 LEU 501 3HD2 LEU 501 0.675 8.406 -9.402 257 H SER 502 H SER 502 2.568 2.413 -8.112 258 HA SER 502 HA SER 502 3.868 1.621 -10.629 259 HB2 SER 502 1HB SER 502 5.055 3.016 -8.290 260 HB3 SER 502 2HB SER 502 6.016 1.725 -9.012 261 HG SER 502 HG SER 502 6.534 3.148 -10.456 262 H ILE 503 H ILE 503 5.294 -0.290 -10.366 263 HA ILE 503 HA ILE 503 4.372 -2.058 -8.198 264 HB ILE 503 HB ILE 503 4.877 -2.920 -11.047 265 HG12 ILE 503 1HG1 ILE 503 2.844 -1.547 -10.868 266 HG13 ILE 503 2HG1 ILE 503 2.451 -3.229 -11.206 267 HG21 ILE 503 1HG2 ILE 503 4.701 -4.351 -8.578 268 HG22 ILE 503 2HG2 ILE 503 3.346 -4.796 -9.614 269 HG23 ILE 503 3HG2 ILE 503 4.999 -4.969 -10.203 270 HD11 ILE 503 1HD1 ILE 503 2.402 -2.066 -8.441 271 HD12 ILE 503 2HD1 ILE 503 1.002 -2.079 -9.513 272 HD13 ILE 503 3HD1 ILE 503 1.726 -3.600 -8.991 273 H GLY 504 H GLY 504 5.898 -3.280 -7.205 274 HA2 GLY 504 1HA GLY 504 8.676 -2.757 -7.965 275 HA3 GLY 504 2HA GLY 504 8.127 -3.401 -6.425 276 H GLU 505 H GLU 505 8.012 -5.576 -6.130 277 HA GLU 505 HA GLU 505 8.878 -7.234 -8.405 278 HB2 GLU 505 1HB GLU 505 9.713 -8.821 -6.656 279 HB3 GLU 505 2HB GLU 505 10.540 -7.270 -6.683 280 HG2 GLU 505 1HG GLU 505 9.960 -6.817 -4.590 281 HG3 GLU 505 2HG GLU 505 8.277 -7.254 -4.879 282 H GLY 506 H GLY 506 6.112 -6.436 -7.583 283 HA2 GLY 506 1HA GLY 506 4.124 -7.627 -7.985 284 HA3 GLY 506 2HA GLY 506 4.988 -9.127 -7.678 285 H GLY 507 H GLY 507 6.079 -7.676 -5.170 286 HA2 GLY 507 1HA GLY 507 3.729 -8.319 -3.505 287 HA3 GLY 507 2HA GLY 507 5.400 -8.496 -2.990 288 H PHE 508 H PHE 508 5.940 -5.818 -4.356 289 HA PHE 508 HA PHE 508 4.710 -4.085 -2.320 290 HB2 PHE 508 1HB PHE 508 7.401 -4.820 -2.397 291 HB3 PHE 508 2HB PHE 508 7.367 -3.205 -3.098 292 HD1 PHE 508 1HD PHE 508 5.475 -4.829 -0.321 293 HD2 PHE 508 2HD PHE 508 8.028 -1.652 -1.548 294 HE1 PHE 508 1HE PHE 508 5.346 -3.858 1.936 295 HE2 PHE 508 2HE PHE 508 7.903 -0.676 0.706 296 HZ PHE 508 HZ PHE 508 6.562 -1.779 2.452 297 H TRP 509 H TRP 509 3.471 -2.661 -3.333 298 HA TRP 509 HA TRP 509 4.379 -1.598 -5.926 299 HB2 TRP 509 1HB TRP 509 1.544 -1.734 -4.880 300 HB3 TRP 509 2HB TRP 509 2.047 -1.202 -6.482 301 HD1 TRP 509 HD TRP 509 4.220 -3.873 -6.409 302 HE1 TRP 509 1HE TRP 509 3.203 -6.101 -7.199 303 HE3 TRP 509 3HE TRP 509 -0.738 -2.717 -5.933 304 HZ2 TRP 509 2HZ TRP 509 0.639 -7.221 -7.572 305 HZ3 TRP 509 3HZ TRP 509 -2.408 -4.423 -6.528 306 HH2 TRP 509 HH TRP 509 -1.733 -6.628 -7.331 307 H GLU 510 H GLU 510 4.232 0.617 -6.319 308 HA GLU 510 HA GLU 510 4.207 2.255 -3.898 309 HB2 GLU 510 1HB GLU 510 6.055 3.016 -4.934 310 HB3 GLU 510 2HB GLU 510 5.554 2.379 -6.494 311 HG2 GLU 510 1HG GLU 510 5.768 4.777 -6.602 312 HG3 GLU 510 2HG GLU 510 4.080 4.311 -6.802 313 H GLY 511 H GLY 511 2.593 3.597 -3.411 314 HA2 GLY 511 1HA GLY 511 0.967 4.821 -5.458 315 HA3 GLY 511 2HA GLY 511 0.116 3.610 -4.512 316 H THR 512 H THR 512 -1.285 5.360 -3.854 317 HA THR 512 HA THR 512 -0.146 6.850 -1.589 318 HB THR 512 HB THR 512 -2.122 7.985 -3.579 319 HG1 THR 512 1HG THR 512 0.440 9.047 -3.094 320 HG21 THR 512 1HG2 THR 512 -0.753 9.345 -1.257 321 HG22 THR 512 2HG2 THR 512 -2.408 8.736 -1.213 322 HG23 THR 512 3HG2 THR 512 -1.973 10.032 -2.328 323 H VAL 513 H VAL 513 -1.417 6.989 0.211 324 HA VAL 513 HA VAL 513 -4.202 6.154 0.093 325 HB VAL 513 HB VAL 513 -2.725 4.091 0.449 326 HG11 VAL 513 1HG1 VAL 513 -1.593 3.764 2.415 327 HG12 VAL 513 2HG1 VAL 513 -1.363 5.501 2.206 328 HG13 VAL 513 3HG1 VAL 513 -2.599 4.900 3.312 329 HG21 VAL 513 1HG2 VAL 513 -5.073 4.947 2.048 330 HG22 VAL 513 2HG2 VAL 513 -4.914 3.630 0.888 331 HG23 VAL 513 3HG2 VAL 513 -4.266 3.451 2.518 332 H LYS 514 H LYS 514 -5.430 7.191 1.556 333 HA LYS 514 HA LYS 514 -6.012 8.748 3.116 334 HB2 LYS 514 1HB LYS 514 -3.696 7.600 4.680 335 HB3 LYS 514 2HB LYS 514 -5.105 8.431 5.329 336 HG2 LYS 514 1HG LYS 514 -5.161 5.789 3.885 337 HG3 LYS 514 2HG LYS 514 -5.217 6.001 5.637 338 HD2 LYS 514 1HD LYS 514 -7.220 7.316 3.827 339 HD3 LYS 514 2HD LYS 514 -7.437 5.659 4.396 340 HE2 LYS 514 1HE LYS 514 -8.567 6.809 6.024 341 HE3 LYS 514 2HE LYS 514 -6.957 6.746 6.739 342 HZ1 LYS 514 1HZ LYS 514 -6.899 8.944 6.762 343 HZ2 LYS 514 2HZ LYS 514 -8.472 9.002 6.145 344 HZ3 LYS 514 3HZ LYS 514 -7.150 9.016 5.090 345 H GLY 515 H GLY 515 -3.940 9.459 1.109 346 HA2 GLY 515 1HA GLY 515 -3.105 11.635 0.711 347 HA3 GLY 515 2HA GLY 515 -3.032 11.898 2.448 348 H ARG 516 H ARG 516 -1.683 9.278 2.849 349 HA ARG 516 HA ARG 516 1.000 10.233 2.602 350 HB2 ARG 516 1HB ARG 516 -0.088 7.553 3.477 351 HB3 ARG 516 2HB ARG 516 1.603 8.021 3.582 352 HG2 ARG 516 1HG ARG 516 1.108 8.699 5.643 353 HG3 ARG 516 2HG ARG 516 0.342 10.084 4.865 354 HD2 ARG 516 1HD ARG 516 -1.798 8.962 4.888 355 HD3 ARG 516 2HD ARG 516 -1.058 7.500 5.538 356 HE ARG 516 HE ARG 516 -0.667 9.824 7.183 357 HH11 ARG 516 1HH1 ARG 516 -3.572 7.186 7.974 358 HH12 ARG 516 2HH1 ARG 516 -2.798 7.179 6.424 359 HH21 ARG 516 1HH2 ARG 516 -2.935 8.703 9.568 360 HH22 ARG 516 2HH2 ARG 516 -1.678 9.844 9.228 361 H THR 517 H THR 517 2.680 9.413 1.353 362 HA THR 517 HA THR 517 1.850 7.742 -0.929 363 HB THR 517 HB THR 517 3.918 9.949 -0.953 364 HG1 THR 517 1HG THR 517 2.381 11.071 -2.166 365 HG21 THR 517 1HG2 THR 517 3.133 7.845 -2.892 366 HG22 THR 517 2HG2 THR 517 4.696 8.619 -2.630 367 HG23 THR 517 3HG2 THR 517 3.436 9.459 -3.533 368 H GLY 518 H GLY 518 3.282 6.177 -1.672 369 HA2 GLY 518 1HA GLY 518 5.870 5.689 -1.287 370 HA3 GLY 518 2HA GLY 518 5.235 5.306 0.307 371 H TRP 519 H TRP 519 6.265 3.195 -0.367 372 HA TRP 519 HA TRP 519 4.620 1.620 -2.191 373 HB2 TRP 519 1HB TRP 519 7.140 0.846 -0.705 374 HB3 TRP 519 2HB TRP 519 6.343 -0.100 -1.959 375 HD1 TRP 519 HD TRP 519 8.073 3.355 -1.596 376 HE1 TRP 519 1HE TRP 519 9.221 3.903 -3.834 377 HE3 TRP 519 3HE TRP 519 6.530 -0.692 -4.311 378 HZ2 TRP 519 2HZ TRP 519 9.443 2.769 -6.410 379 HZ3 TRP 519 3HZ TRP 519 7.253 -0.885 -6.654 380 HH2 TRP 519 HH TRP 519 8.680 0.811 -7.681 381 H PHE 520 H PHE 520 3.709 -0.408 -1.569 382 HA PHE 520 HA PHE 520 3.490 -0.983 1.273 383 HB2 PHE 520 1HB PHE 520 0.969 -1.102 1.079 384 HB3 PHE 520 2HB PHE 520 1.652 0.521 1.066 385 HD1 PHE 520 1HD PHE 520 1.391 1.949 -0.801 386 HD2 PHE 520 2HD PHE 520 0.175 -2.123 -1.035 387 HE1 PHE 520 1HE PHE 520 0.228 2.421 -2.916 388 HE2 PHE 520 2HE PHE 520 -0.989 -1.658 -3.152 389 HZ PHE 520 HZ PHE 520 -0.963 0.617 -4.096 390 HA PRO 521 HA PRO 521 3.355 -5.156 -0.074 391 HB2 PRO 521 1HB PRO 521 1.819 -6.305 1.847 392 HB3 PRO 521 2HB PRO 521 3.474 -5.758 2.139 393 HG2 PRO 521 1HG PRO 521 0.887 -4.396 2.785 394 HG3 PRO 521 2HG PRO 521 2.351 -4.545 3.775 395 HD2 PRO 521 1HD PRO 521 1.752 -2.298 2.387 396 HD3 PRO 521 2HD PRO 521 3.422 -2.828 2.674 397 H ALA 522 H ALA 522 2.283 -5.663 -1.885 398 HA ALA 522 HA ALA 522 -0.343 -5.001 -2.520 399 HB1 ALA 522 1HB ALA 522 -0.115 -6.364 -4.419 400 HB2 ALA 522 2HB ALA 522 1.514 -5.784 -4.071 401 HB3 ALA 522 3HB ALA 522 1.047 -7.424 -3.622 402 H ASP 523 H ASP 523 0.911 -7.627 -0.637 403 HA ASP 523 HA ASP 523 -1.327 -9.359 -0.818 404 HB2 ASP 523 1HB ASP 523 1.006 -9.956 -0.006 405 HB3 ASP 523 2HB ASP 523 0.580 -9.175 1.514 406 H CYS 524 H CYS 524 -0.974 -6.352 0.611 407 HA CYS 524 HA CYS 524 -3.154 -6.880 2.519 408 HB2 CYS 524 1HB CYS 524 -1.159 -4.606 2.527 409 HB3 CYS 524 2HB CYS 524 -2.411 -4.885 3.732 410 HG CYS 524 HG CYS 524 -0.813 -6.153 5.278 411 H VAL 525 H VAL 525 -2.848 -5.941 -0.501 412 HA VAL 525 HA VAL 525 -5.042 -3.996 -0.301 413 HB VAL 525 HB VAL 525 -4.143 -2.580 -1.976 414 HG11 VAL 525 1HG1 VAL 525 -1.636 -3.084 -0.464 415 HG12 VAL 525 2HG1 VAL 525 -2.481 -1.568 -0.782 416 HG13 VAL 525 3HG1 VAL 525 -3.089 -2.675 0.448 417 HG21 VAL 525 1HG2 VAL 525 -3.009 -3.535 -3.640 418 HG22 VAL 525 2HG2 VAL 525 -1.589 -3.456 -2.596 419 HG23 VAL 525 3HG2 VAL 525 -2.568 -4.922 -2.644 420 H GLU 526 H GLU 526 -6.292 -3.797 -2.319 421 HA GLU 526 HA GLU 526 -6.011 -5.865 -4.305 422 HB2 GLU 526 1HB GLU 526 -8.389 -6.693 -3.870 423 HB3 GLU 526 2HB GLU 526 -7.135 -7.250 -2.772 424 HG2 GLU 526 1HG GLU 526 -7.898 -5.947 -1.026 425 HG3 GLU 526 2HG GLU 526 -8.749 -4.833 -2.094 426 H GLU 527 H GLU 527 -7.029 -5.357 -6.197 427 HA GLU 527 HA GLU 527 -7.738 -2.711 -6.699 428 HB2 GLU 527 1HB GLU 527 -7.339 -5.001 -8.219 429 HB3 GLU 527 2HB GLU 527 -9.017 -4.581 -8.528 430 HG2 GLU 527 1HG GLU 527 -8.481 -2.753 -9.708 431 HG3 GLU 527 2HG GLU 527 -7.142 -2.330 -8.643 432 H VAL 528 H VAL 528 -9.769 -1.763 -7.268 433 HA VAL 528 HA VAL 528 -11.785 -2.026 -5.427 434 HB VAL 528 HB VAL 528 -13.260 -0.845 -7.018 435 HG11 VAL 528 1HG1 VAL 528 -12.222 1.034 -6.438 436 HG12 VAL 528 2HG1 VAL 528 -10.862 0.046 -5.900 437 HG13 VAL 528 3HG1 VAL 528 -10.884 0.700 -7.537 438 HG21 VAL 528 1HG2 VAL 528 -12.473 -0.270 -9.240 439 HG22 VAL 528 2HG2 VAL 528 -10.986 -1.180 -8.973 440 HG23 VAL 528 3HG2 VAL 528 -12.532 -2.023 -9.055 441 H GLN 529 H GLN 529 -11.264 -3.879 -8.335 442 HA GLN 529 HA GLN 529 -13.881 -5.097 -8.285 443 HB2 GLN 529 1HB GLN 529 -11.402 -5.584 -9.930 444 HB3 GLN 529 2HB GLN 529 -12.840 -6.587 -10.072 445 HG2 GLN 529 1HG GLN 529 -12.638 -3.636 -10.619 446 HG3 GLN 529 2HG GLN 529 -12.841 -4.926 -11.803 447 HE21 GLN 529 1HE2 GLN 529 -16.109 -3.293 -11.092 448 HE22 GLN 529 2HE2 GLN 529 -14.551 -2.729 -11.584 449 H MET 530 H MET 530 -14.437 -7.053 -7.473 450 HA MET 530 HA MET 530 -12.465 -8.364 -5.762 451 HB2 MET 530 1HB MET 530 -15.037 -7.681 -5.264 452 HB3 MET 530 2HB MET 530 -15.254 -9.342 -5.799 453 HG2 MET 530 1HG MET 530 -13.664 -10.094 -4.101 454 HG3 MET 530 2HG MET 530 -13.464 -8.428 -3.560 455 HE1 MET 530 1HE MET 530 -16.640 -7.376 -3.731 456 HE2 MET 530 2HE MET 530 -16.860 -7.547 -1.989 457 HE3 MET 530 3HE MET 530 -15.320 -6.974 -2.631 Start of MODEL 14 1 H1 MET 470 H MET 470 -8.236 10.785 -6.538 2 HA MET 470 HA MET 470 -9.411 8.128 -6.427 3 HB2 MET 470 1HB MET 470 -10.463 10.747 -5.344 4 HB3 MET 470 2HB MET 470 -11.098 9.146 -4.987 5 HG2 MET 470 1HG MET 470 -9.572 8.771 -3.413 6 HG3 MET 470 2HG MET 470 -8.261 9.387 -4.415 7 HE1 MET 470 1HE MET 470 -7.229 12.160 -3.846 8 HE2 MET 470 2HE MET 470 -7.148 11.860 -2.109 9 HE3 MET 470 3HE MET 470 -6.892 10.535 -3.246 10 H VAL 471 H VAL 471 -9.597 8.118 -8.831 11 HA VAL 471 HA VAL 471 -12.085 9.457 -9.679 12 HB VAL 471 HB VAL 471 -11.115 9.166 -12.040 13 HG11 VAL 471 1HG1 VAL 471 -9.668 11.143 -10.294 14 HG12 VAL 471 2HG1 VAL 471 -10.146 11.322 -11.984 15 HG13 VAL 471 3HG1 VAL 471 -11.373 11.307 -10.717 16 HG21 VAL 471 1HG2 VAL 471 -8.779 8.966 -12.298 17 HG22 VAL 471 2HG2 VAL 471 -8.493 9.157 -10.568 18 HG23 VAL 471 3HG2 VAL 471 -9.244 7.683 -11.180 19 HA PRO 472 HA PRO 472 -13.819 5.531 -10.599 20 HB2 PRO 472 1HB PRO 472 -15.329 6.105 -12.781 21 HB3 PRO 472 2HB PRO 472 -15.754 6.643 -11.152 22 HG2 PRO 472 1HG PRO 472 -14.408 8.157 -13.356 23 HG3 PRO 472 2HG PRO 472 -15.687 8.691 -12.250 24 HD2 PRO 472 1HD PRO 472 -13.085 9.351 -11.894 25 HD3 PRO 472 2HD PRO 472 -14.204 9.112 -10.536 26 H GLY 473 H GLY 473 -11.549 4.826 -11.220 27 HA2 GLY 473 1HA GLY 473 -11.667 3.497 -13.741 28 HA3 GLY 473 2HA GLY 473 -10.520 4.828 -13.780 29 H ARG 474 H ARG 474 -9.068 4.822 -11.686 30 HA ARG 474 HA ARG 474 -8.154 2.055 -11.253 31 HB2 ARG 474 1HB ARG 474 -6.762 3.798 -12.724 32 HB3 ARG 474 2HB ARG 474 -6.185 4.280 -11.134 33 HG2 ARG 474 1HG ARG 474 -4.659 2.681 -11.396 34 HG3 ARG 474 2HG ARG 474 -5.968 1.554 -11.033 35 HD2 ARG 474 1HD ARG 474 -5.933 0.731 -13.101 36 HD3 ARG 474 2HD ARG 474 -6.007 2.344 -13.810 37 HE ARG 474 HE ARG 474 -3.680 0.708 -13.487 38 HH11 ARG 474 1HH1 ARG 474 -3.323 4.619 -14.268 39 HH12 ARG 474 2HH1 ARG 474 -4.832 3.988 -13.696 40 HH21 ARG 474 1HH2 ARG 474 -1.537 3.218 -14.578 41 HH22 ARG 474 2HH2 ARG 474 -1.689 1.527 -14.240 42 H LYS 475 H LYS 475 -8.951 1.693 -9.244 43 HA LYS 475 HA LYS 475 -7.857 3.351 -7.090 44 HB2 LYS 475 1HB LYS 475 -10.052 4.226 -7.256 45 HB3 LYS 475 2HB LYS 475 -10.755 2.630 -7.485 46 HG2 LYS 475 1HG LYS 475 -11.279 3.370 -5.282 47 HG3 LYS 475 2HG LYS 475 -10.089 2.072 -5.155 48 HD2 LYS 475 1HD LYS 475 -9.034 3.508 -3.777 49 HD3 LYS 475 2HD LYS 475 -8.467 4.237 -5.282 50 HE2 LYS 475 1HE LYS 475 -10.640 5.629 -5.152 51 HE3 LYS 475 2HE LYS 475 -10.672 5.132 -3.461 52 HZ1 LYS 475 1HZ LYS 475 -9.039 7.095 -4.744 53 HZ2 LYS 475 2HZ LYS 475 -8.112 5.985 -3.866 54 HZ3 LYS 475 3HZ LYS 475 -9.341 6.856 -3.095 55 H PHE 476 H PHE 476 -7.541 2.269 -5.120 56 HA PHE 476 HA PHE 476 -7.974 -0.639 -5.173 57 HB2 PHE 476 1HB PHE 476 -5.429 0.864 -4.762 58 HB3 PHE 476 2HB PHE 476 -5.684 -0.606 -3.828 59 HD1 PHE 476 1HD PHE 476 -5.827 0.658 -7.327 60 HD2 PHE 476 2HD PHE 476 -5.090 -2.639 -4.739 61 HE1 PHE 476 1HE PHE 476 -5.092 -0.686 -9.253 62 HE2 PHE 476 2HE PHE 476 -4.353 -3.988 -6.660 63 HZ PHE 476 HZ PHE 476 -4.353 -3.012 -8.921 64 H ILE 477 H ILE 477 -7.873 -1.645 -3.020 65 HA ILE 477 HA ILE 477 -8.446 0.211 -0.820 66 HB ILE 477 HB ILE 477 -10.584 -0.650 -1.826 67 HG12 ILE 477 1HG1 ILE 477 -11.309 -1.641 0.559 68 HG13 ILE 477 2HG1 ILE 477 -9.751 -0.958 1.011 69 HG21 ILE 477 1HG2 ILE 477 -11.070 -2.840 -2.006 70 HG22 ILE 477 2HG2 ILE 477 -9.319 -3.029 -1.981 71 HG23 ILE 477 3HG2 ILE 477 -10.251 -3.255 -0.501 72 HD11 ILE 477 1HD1 ILE 477 -10.869 1.082 -0.406 73 HD12 ILE 477 2HD1 ILE 477 -12.272 0.365 0.388 74 HD13 ILE 477 3HD1 ILE 477 -10.902 0.918 1.349 75 H ALA 478 H ALA 478 -7.591 -0.357 1.103 76 HA ALA 478 HA ALA 478 -5.775 -2.591 1.172 77 HB1 ALA 478 1HB ALA 478 -4.749 -1.054 2.428 78 HB2 ALA 478 2HB ALA 478 -6.250 -0.182 2.749 79 HB3 ALA 478 3HB ALA 478 -5.822 -1.588 3.723 80 H VAL 479 H VAL 479 -5.940 -4.453 2.348 81 HA VAL 479 HA VAL 479 -8.570 -4.989 3.561 82 HB VAL 479 HB VAL 479 -7.788 -7.450 3.230 83 HG11 VAL 479 1HG1 VAL 479 -9.118 -5.549 1.482 84 HG12 VAL 479 2HG1 VAL 479 -8.418 -6.907 0.598 85 HG13 VAL 479 3HG1 VAL 479 -9.566 -7.201 1.905 86 HG21 VAL 479 1HG2 VAL 479 -6.171 -7.905 1.641 87 HG22 VAL 479 2HG2 VAL 479 -6.280 -6.301 0.918 88 HG23 VAL 479 3HG2 VAL 479 -5.479 -6.513 2.474 89 H LYS 480 H LYS 480 -5.091 -5.344 3.961 90 HA LYS 480 HA LYS 480 -5.542 -6.171 6.752 91 HB2 LYS 480 1HB LYS 480 -2.897 -6.498 5.392 92 HB3 LYS 480 2HB LYS 480 -3.596 -7.432 6.709 93 HG2 LYS 480 1HG LYS 480 -4.423 -7.535 3.815 94 HG3 LYS 480 2HG LYS 480 -3.492 -8.756 4.688 95 HD2 LYS 480 1HD LYS 480 -6.281 -7.901 5.451 96 HD3 LYS 480 2HD LYS 480 -5.923 -9.289 4.420 97 HE2 LYS 480 1HE LYS 480 -4.421 -9.224 6.936 98 HE3 LYS 480 2HE LYS 480 -6.167 -9.368 7.136 99 HZ1 LYS 480 1HZ LYS 480 -4.313 -11.200 5.752 100 HZ2 LYS 480 2HZ LYS 480 -5.967 -11.211 5.397 101 HZ3 LYS 480 3HZ LYS 480 -5.437 -11.549 6.967 102 H ALA 481 H ALA 481 -3.260 -5.610 7.970 103 HA ALA 481 HA ALA 481 -2.992 -2.693 7.664 104 HB1 ALA 481 1HB ALA 481 -3.969 -3.292 9.782 105 HB2 ALA 481 2HB ALA 481 -2.652 -4.419 10.114 106 HB3 ALA 481 3HB ALA 481 -2.335 -2.684 10.050 107 H HIS 482 H HIS 482 -0.942 -1.733 7.847 108 HA HIS 482 HA HIS 482 1.439 -3.243 8.240 109 HB2 HIS 482 1HB HIS 482 0.998 -4.081 6.020 110 HB3 HIS 482 2HB HIS 482 0.722 -2.452 5.412 111 HD1 HIS 482 1HD HIS 482 3.366 -4.929 6.025 112 HD2 HIS 482 2HD HIS 482 3.115 -0.862 5.214 113 HE1 HIS 482 1HE HIS 482 5.681 -4.238 5.328 114 H SER 483 H SER 483 2.544 -1.791 9.369 115 HA SER 483 HA SER 483 2.250 1.042 8.866 116 HB2 SER 483 1HB SER 483 4.357 0.404 10.738 117 HB3 SER 483 2HB SER 483 2.827 1.233 11.024 118 HG SER 483 HG SER 483 2.478 -0.526 12.161 119 HA PRO 484 HA PRO 484 5.828 1.764 6.436 120 HB2 PRO 484 1HB PRO 484 6.824 4.053 7.504 121 HB3 PRO 484 2HB PRO 484 5.340 4.006 6.544 122 HG2 PRO 484 1HG PRO 484 5.672 4.069 9.519 123 HG3 PRO 484 2HG PRO 484 4.528 4.964 8.501 124 HD2 PRO 484 1HD PRO 484 3.824 2.740 9.875 125 HD3 PRO 484 2HD PRO 484 3.095 3.169 8.314 126 H GLN 485 H GLN 485 7.256 0.100 6.848 127 HA GLN 485 HA GLN 485 8.660 -0.517 9.096 128 HB2 GLN 485 1HB GLN 485 9.609 -0.631 6.231 129 HB3 GLN 485 2HB GLN 485 10.450 -1.397 7.572 130 HG2 GLN 485 1HG GLN 485 7.761 -2.061 6.429 131 HG3 GLN 485 2HG GLN 485 9.183 -3.092 6.574 132 HE21 GLN 485 1HE2 GLN 485 6.613 -2.610 9.686 133 HE22 GLN 485 2HE2 GLN 485 6.538 -1.598 8.288 134 H GLY 486 H GLY 486 9.366 2.054 6.799 135 HA2 GLY 486 1HA GLY 486 10.748 3.630 8.661 136 HA3 GLY 486 2HA GLY 486 11.936 2.728 7.730 137 H GLU 487 H GLU 487 11.772 2.921 5.339 138 HA GLU 487 HA GLU 487 10.726 5.555 4.541 139 HB2 GLU 487 1HB GLU 487 13.263 4.405 3.408 140 HB3 GLU 487 2HB GLU 487 12.679 6.061 3.323 141 HG2 GLU 487 1HG GLU 487 12.952 6.090 5.866 142 HG3 GLU 487 2HG GLU 487 13.909 4.626 5.645 143 H GLY 488 H GLY 488 10.208 5.779 2.280 144 HA2 GLY 488 1HA GLY 488 9.212 5.068 0.340 145 HA3 GLY 488 2HA GLY 488 10.330 3.713 0.396 146 H GLU 489 H GLU 489 8.004 4.343 2.931 147 HA GLU 489 HA GLU 489 6.218 2.271 1.907 148 HB2 GLU 489 1HB GLU 489 7.523 2.149 4.632 149 HB3 GLU 489 2HB GLU 489 6.226 1.095 4.085 150 HG2 GLU 489 1HG GLU 489 7.834 0.498 2.158 151 HG3 GLU 489 2HG GLU 489 9.078 1.186 3.201 152 H ILE 490 H ILE 490 4.124 2.316 2.800 153 HA ILE 490 HA ILE 490 3.529 4.670 4.467 154 HB ILE 490 HB ILE 490 1.309 4.742 3.198 155 HG12 ILE 490 1HG1 ILE 490 2.899 3.383 1.027 156 HG13 ILE 490 2HG1 ILE 490 1.820 2.483 2.089 157 HG21 ILE 490 1HG2 ILE 490 2.269 6.135 1.412 158 HG22 ILE 490 2HG2 ILE 490 2.998 6.464 2.983 159 HG23 ILE 490 3HG2 ILE 490 3.869 5.496 1.793 160 HD11 ILE 490 1HD1 ILE 490 0.125 2.992 0.772 161 HD12 ILE 490 2HD1 ILE 490 0.387 4.707 1.092 162 HD13 ILE 490 3HD1 ILE 490 1.200 3.929 -0.265 163 HA PRO 491 HA PRO 491 1.235 2.016 7.107 164 HB2 PRO 491 1HB PRO 491 -0.753 3.670 7.931 165 HB3 PRO 491 2HB PRO 491 0.921 3.838 8.472 166 HG2 PRO 491 1HG PRO 491 -0.542 5.348 6.340 167 HG3 PRO 491 2HG PRO 491 0.568 5.957 7.582 168 HD2 PRO 491 1HD PRO 491 1.337 5.542 5.019 169 HD3 PRO 491 2HD PRO 491 2.442 5.334 6.393 170 H LEU 492 H LEU 492 -0.554 0.676 7.175 171 HA LEU 492 HA LEU 492 -2.614 1.091 5.118 172 HB2 LEU 492 1HB LEU 492 -1.005 -1.376 5.685 173 HB3 LEU 492 2HB LEU 492 -2.592 -1.472 4.927 174 HG LEU 492 HG LEU 492 -0.137 -0.109 3.827 175 HD11 LEU 492 1HD1 LEU 492 0.120 -2.386 3.441 176 HD12 LEU 492 2HD1 LEU 492 -0.648 -1.808 1.963 177 HD13 LEU 492 3HD1 LEU 492 -1.606 -2.639 3.188 178 HD21 LEU 492 1HD2 LEU 492 -2.938 0.341 3.294 179 HD22 LEU 492 2HD2 LEU 492 -2.103 -0.254 1.858 180 HD23 LEU 492 3HD2 LEU 492 -1.523 1.196 2.679 181 H HIS 493 H HIS 493 -4.680 0.452 5.647 182 HA HIS 493 HA HIS 493 -5.149 -0.908 8.178 183 HB2 HIS 493 1HB HIS 493 -5.502 1.953 7.800 184 HB3 HIS 493 2HB HIS 493 -7.005 1.167 8.273 185 HD1 HIS 493 1HD HIS 493 -7.240 0.486 10.684 186 HD2 HIS 493 2HD HIS 493 -3.369 1.641 9.712 187 HE1 HIS 493 1HE HIS 493 -6.006 0.609 12.871 188 H ARG 494 H ARG 494 -6.851 -2.243 8.069 189 HA ARG 494 HA ARG 494 -8.100 -2.915 5.715 190 HB2 ARG 494 1HB ARG 494 -9.833 -4.020 7.139 191 HB3 ARG 494 2HB ARG 494 -8.179 -4.406 7.592 192 HG2 ARG 494 1HG ARG 494 -8.583 -3.744 9.661 193 HG3 ARG 494 2HG ARG 494 -8.986 -2.128 9.079 194 HD2 ARG 494 1HD ARG 494 -10.939 -2.719 10.139 195 HD3 ARG 494 2HD ARG 494 -11.279 -3.233 8.487 196 HE ARG 494 HE ARG 494 -11.309 -5.408 9.206 197 HH11 ARG 494 1HH1 ARG 494 -9.799 -4.673 12.840 198 HH12 ARG 494 2HH1 ARG 494 -9.849 -3.411 11.655 199 HH21 ARG 494 1HH2 ARG 494 -10.595 -6.760 12.329 200 HH22 ARG 494 2HH2 ARG 494 -11.249 -7.078 10.758 201 H GLY 495 H GLY 495 -9.443 -1.839 4.439 202 HA2 GLY 495 1HA GLY 495 -11.585 -0.844 4.046 203 HA3 GLY 495 2HA GLY 495 -11.528 -0.170 5.668 204 H GLU 496 H GLU 496 -8.524 0.244 4.397 205 HA GLU 496 HA GLU 496 -8.980 3.058 3.969 206 HB2 GLU 496 1HB GLU 496 -6.574 1.288 4.125 207 HB3 GLU 496 2HB GLU 496 -6.417 2.878 3.391 208 HG2 GLU 496 1HG GLU 496 -7.560 3.716 5.559 209 HG3 GLU 496 2HG GLU 496 -7.061 2.157 6.214 210 H ALA 497 H ALA 497 -8.321 4.214 2.065 211 HA ALA 497 HA ALA 497 -8.813 2.663 -0.376 212 HB1 ALA 497 1HB ALA 497 -8.930 5.210 -1.222 213 HB2 ALA 497 2HB ALA 497 -10.314 4.339 -0.560 214 HB3 ALA 497 3HB ALA 497 -9.385 5.431 0.468 215 H VAL 498 H VAL 498 -6.962 1.940 -1.234 216 HA VAL 498 HA VAL 498 -4.596 3.669 -1.218 217 HB VAL 498 HB VAL 498 -4.605 0.852 -2.246 218 HG11 VAL 498 1HG1 VAL 498 -2.290 0.901 -1.431 219 HG12 VAL 498 2HG1 VAL 498 -2.606 2.194 -2.590 220 HG13 VAL 498 3HG1 VAL 498 -2.531 2.553 -0.865 221 HG21 VAL 498 1HG2 VAL 498 -5.707 0.694 -0.102 222 HG22 VAL 498 2HG2 VAL 498 -4.061 0.081 0.040 223 HG23 VAL 498 3HG2 VAL 498 -4.459 1.687 0.649 224 H LYS 499 H LYS 499 -3.349 3.961 -3.150 225 HA LYS 499 HA LYS 499 -4.857 3.582 -5.648 226 HB2 LYS 499 1HB LYS 499 -4.749 5.994 -4.538 227 HB3 LYS 499 2HB LYS 499 -3.176 6.024 -5.327 228 HG2 LYS 499 1HG LYS 499 -4.302 6.814 -7.084 229 HG3 LYS 499 2HG LYS 499 -4.775 5.133 -7.340 230 HD2 LYS 499 1HD LYS 499 -6.756 6.465 -7.420 231 HD3 LYS 499 2HD LYS 499 -6.778 5.566 -5.900 232 HE2 LYS 499 1HE LYS 499 -7.462 7.924 -5.633 233 HE3 LYS 499 2HE LYS 499 -6.029 7.515 -4.689 234 HZ1 LYS 499 1HZ LYS 499 -4.794 8.967 -5.818 235 HZ2 LYS 499 2HZ LYS 499 -6.252 9.626 -6.367 236 HZ3 LYS 499 3HZ LYS 499 -5.421 8.501 -7.319 237 H VAL 500 H VAL 500 -3.632 1.941 -6.457 238 HA VAL 500 HA VAL 500 -0.817 1.782 -6.284 239 HB VAL 500 HB VAL 500 -2.714 0.453 -8.222 240 HG11 VAL 500 1HG1 VAL 500 -0.743 -1.206 -8.361 241 HG12 VAL 500 2HG1 VAL 500 -0.656 0.290 -9.294 242 HG13 VAL 500 3HG1 VAL 500 0.231 0.142 -7.776 243 HG21 VAL 500 1HG2 VAL 500 -3.054 -0.064 -5.820 244 HG22 VAL 500 2HG2 VAL 500 -2.563 -1.463 -6.772 245 HG23 VAL 500 3HG2 VAL 500 -1.389 -0.642 -5.744 246 H LEU 501 H LEU 501 0.769 2.584 -7.531 247 HA LEU 501 HA LEU 501 0.023 3.923 -10.043 248 HB2 LEU 501 1HB LEU 501 1.395 4.995 -7.675 249 HB3 LEU 501 2HB LEU 501 2.168 5.368 -9.214 250 HG LEU 501 HG LEU 501 -0.093 6.267 -9.957 251 HD11 LEU 501 1HD1 LEU 501 -1.511 5.270 -8.301 252 HD12 LEU 501 2HD1 LEU 501 -1.555 7.021 -8.096 253 HD13 LEU 501 3HD1 LEU 501 -0.598 6.029 -6.996 254 HD21 LEU 501 1HD2 LEU 501 0.502 8.119 -7.873 255 HD22 LEU 501 2HD2 LEU 501 0.905 8.213 -9.588 256 HD23 LEU 501 3HD2 LEU 501 2.010 7.422 -8.464 257 H SER 502 H SER 502 2.603 2.430 -8.138 258 HA SER 502 HA SER 502 3.877 1.613 -10.662 259 HB2 SER 502 1HB SER 502 5.065 3.014 -8.330 260 HB3 SER 502 2HB SER 502 6.027 1.720 -9.044 261 HG SER 502 HG SER 502 6.546 3.137 -10.495 262 H ILE 503 H ILE 503 5.256 -0.313 -10.445 263 HA ILE 503 HA ILE 503 4.389 -2.071 -8.245 264 HB ILE 503 HB ILE 503 4.804 -2.960 -11.100 265 HG12 ILE 503 1HG1 ILE 503 2.814 -1.524 -10.900 266 HG13 ILE 503 2HG1 ILE 503 2.370 -3.197 -11.220 267 HG21 ILE 503 1HG2 ILE 503 3.232 -4.729 -9.506 268 HG22 ILE 503 2HG2 ILE 503 4.778 -5.027 -10.298 269 HG23 ILE 503 3HG2 ILE 503 4.738 -4.375 -8.660 270 HD11 ILE 503 1HD1 ILE 503 1.629 -3.528 -9.019 271 HD12 ILE 503 2HD1 ILE 503 2.409 -2.052 -8.450 272 HD13 ILE 503 3HD1 ILE 503 0.997 -1.954 -9.502 273 H GLY 504 H GLY 504 5.943 -3.261 -7.275 274 HA2 GLY 504 1HA GLY 504 8.694 -2.814 -8.181 275 HA3 GLY 504 2HA GLY 504 8.209 -3.372 -6.586 276 H GLU 505 H GLU 505 8.427 -5.469 -6.156 277 HA GLU 505 HA GLU 505 9.144 -7.255 -8.354 278 HB2 GLU 505 1HB GLU 505 9.602 -7.236 -5.412 279 HB3 GLU 505 2HB GLU 505 9.536 -8.798 -6.218 280 HG2 GLU 505 1HG GLU 505 11.224 -7.607 -7.869 281 HG3 GLU 505 2HG GLU 505 11.545 -6.631 -6.436 282 H GLY 506 H GLY 506 6.346 -6.341 -7.606 283 HA2 GLY 506 1HA GLY 506 4.348 -7.485 -8.121 284 HA3 GLY 506 2HA GLY 506 5.153 -9.005 -7.765 285 H GLY 507 H GLY 507 6.205 -7.816 -5.205 286 HA2 GLY 507 1HA GLY 507 3.757 -8.306 -3.651 287 HA3 GLY 507 2HA GLY 507 5.402 -8.504 -3.061 288 H PHE 508 H PHE 508 6.016 -5.830 -4.426 289 HA PHE 508 HA PHE 508 4.765 -4.094 -2.403 290 HB2 PHE 508 1HB PHE 508 7.450 -4.813 -2.484 291 HB3 PHE 508 2HB PHE 508 7.416 -3.216 -3.225 292 HD1 PHE 508 1HD PHE 508 5.507 -4.745 -0.409 293 HD2 PHE 508 2HD PHE 508 8.120 -1.646 -1.707 294 HE1 PHE 508 1HE PHE 508 5.393 -3.718 1.825 295 HE2 PHE 508 2HE PHE 508 8.010 -0.615 0.524 296 HZ PHE 508 HZ PHE 508 6.646 -1.651 2.294 297 H TRP 509 H TRP 509 3.516 -2.664 -3.393 298 HA TRP 509 HA TRP 509 4.394 -1.592 -5.995 299 HB2 TRP 509 1HB TRP 509 1.557 -1.755 -4.958 300 HB3 TRP 509 2HB TRP 509 2.068 -1.255 -6.567 301 HD1 TRP 509 HD TRP 509 4.254 -3.864 -6.548 302 HE1 TRP 509 1HE TRP 509 3.261 -6.134 -7.245 303 HE3 TRP 509 3HE TRP 509 -0.702 -2.838 -5.827 304 HZ2 TRP 509 2HZ TRP 509 0.714 -7.331 -7.462 305 HZ3 TRP 509 3HZ TRP 509 -2.352 -4.601 -6.304 306 HH2 TRP 509 HH TRP 509 -1.657 -6.799 -7.105 307 H GLU 510 H GLU 510 4.311 0.609 -6.349 308 HA GLU 510 HA GLU 510 4.222 2.240 -3.932 309 HB2 GLU 510 1HB GLU 510 6.055 3.042 -4.959 310 HB3 GLU 510 2HB GLU 510 5.577 2.386 -6.519 311 HG2 GLU 510 1HG GLU 510 5.741 4.779 -6.658 312 HG3 GLU 510 2HG GLU 510 4.057 4.288 -6.835 313 H GLY 511 H GLY 511 2.626 3.614 -3.456 314 HA2 GLY 511 1HA GLY 511 0.971 4.800 -5.495 315 HA3 GLY 511 2HA GLY 511 0.134 3.585 -4.542 316 H THR 512 H THR 512 -1.261 5.407 -3.959 317 HA THR 512 HA THR 512 -0.133 6.889 -1.679 318 HB THR 512 HB THR 512 -2.133 7.990 -3.662 319 HG1 THR 512 1HG THR 512 -0.204 8.185 -4.655 320 HG21 THR 512 1HG2 THR 512 -2.006 10.043 -2.432 321 HG22 THR 512 2HG2 THR 512 -0.749 9.394 -1.380 322 HG23 THR 512 3HG2 THR 512 -2.389 8.755 -1.292 323 H VAL 513 H VAL 513 -1.374 6.993 0.135 324 HA VAL 513 HA VAL 513 -4.163 6.170 0.045 325 HB VAL 513 HB VAL 513 -2.677 4.098 0.359 326 HG11 VAL 513 1HG1 VAL 513 -1.552 3.738 2.325 327 HG12 VAL 513 2HG1 VAL 513 -1.311 5.475 2.130 328 HG13 VAL 513 3HG1 VAL 513 -2.550 4.875 3.232 329 HG21 VAL 513 1HG2 VAL 513 -4.864 3.630 0.788 330 HG22 VAL 513 2HG2 VAL 513 -4.218 3.425 2.417 331 HG23 VAL 513 3HG2 VAL 513 -5.027 4.928 1.971 332 H LYS 514 H LYS 514 -5.369 7.162 1.564 333 HA LYS 514 HA LYS 514 -5.927 8.688 3.160 334 HB2 LYS 514 1HB LYS 514 -3.545 7.567 4.641 335 HB3 LYS 514 2HB LYS 514 -4.946 8.364 5.342 336 HG2 LYS 514 1HG LYS 514 -4.903 5.694 3.952 337 HG3 LYS 514 2HG LYS 514 -5.111 5.990 5.680 338 HD2 LYS 514 1HD LYS 514 -6.993 6.920 3.509 339 HD3 LYS 514 2HD LYS 514 -7.245 5.514 4.546 340 HE2 LYS 514 1HE LYS 514 -7.071 8.398 5.407 341 HE3 LYS 514 2HE LYS 514 -8.509 7.378 5.406 342 HZ1 LYS 514 1HZ LYS 514 -7.968 6.963 7.513 343 HZ2 LYS 514 2HZ LYS 514 -6.394 7.559 7.342 344 HZ3 LYS 514 3HZ LYS 514 -6.748 5.965 6.900 345 H GLY 515 H GLY 515 -3.915 9.442 1.099 346 HA2 GLY 515 1HA GLY 515 -3.113 11.622 0.682 347 HA3 GLY 515 2HA GLY 515 -3.033 11.899 2.416 348 H ARG 516 H ARG 516 -1.634 9.282 2.788 349 HA ARG 516 HA ARG 516 1.028 10.295 2.543 350 HB2 ARG 516 1HB ARG 516 0.004 7.582 3.393 351 HB3 ARG 516 2HB ARG 516 1.682 8.094 3.505 352 HG2 ARG 516 1HG ARG 516 1.101 8.646 5.600 353 HG3 ARG 516 2HG ARG 516 0.479 10.107 4.830 354 HD2 ARG 516 1HD ARG 516 -1.716 9.395 4.953 355 HD3 ARG 516 2HD ARG 516 -1.265 7.694 5.053 356 HE ARG 516 HE ARG 516 -1.219 7.904 7.320 357 HH11 ARG 516 1HH1 ARG 516 -0.929 11.895 7.429 358 HH12 ARG 516 2HH1 ARG 516 -0.880 11.068 5.908 359 HH21 ARG 516 1HH2 ARG 516 -1.159 10.708 9.374 360 HH22 ARG 516 2HH2 ARG 516 -1.285 8.981 9.329 361 H THR 517 H THR 517 2.744 9.436 1.329 362 HA THR 517 HA THR 517 1.921 7.818 -0.995 363 HB THR 517 HB THR 517 4.058 9.956 -1.011 364 HG1 THR 517 1HG THR 517 1.742 10.638 -0.795 365 HG21 THR 517 1HG2 THR 517 4.665 8.995 -2.928 366 HG22 THR 517 2HG2 THR 517 3.088 9.426 -3.588 367 HG23 THR 517 3HG2 THR 517 3.328 7.850 -2.833 368 H GLY 518 H GLY 518 3.284 6.198 -1.677 369 HA2 GLY 518 1HA GLY 518 5.894 5.712 -1.301 370 HA3 GLY 518 2HA GLY 518 5.238 5.313 0.279 371 H TRP 519 H TRP 519 6.192 3.184 -0.308 372 HA TRP 519 HA TRP 519 4.575 1.651 -2.205 373 HB2 TRP 519 1HB TRP 519 7.074 0.832 -0.707 374 HB3 TRP 519 2HB TRP 519 6.282 -0.084 -1.987 375 HD1 TRP 519 HD TRP 519 8.028 3.356 -1.550 376 HE1 TRP 519 1HE TRP 519 9.213 3.926 -3.763 377 HE3 TRP 519 3HE TRP 519 6.513 -0.652 -4.338 378 HZ2 TRP 519 2HZ TRP 519 9.472 2.823 -6.348 379 HZ3 TRP 519 3HZ TRP 519 7.273 -0.821 -6.672 380 HH2 TRP 519 HH TRP 519 8.721 0.883 -7.655 381 H PHE 520 H PHE 520 3.790 -0.484 -1.582 382 HA PHE 520 HA PHE 520 3.501 -1.046 1.241 383 HB2 PHE 520 1HB PHE 520 0.983 -1.152 1.050 384 HB3 PHE 520 2HB PHE 520 1.669 0.469 1.042 385 HD1 PHE 520 1HD PHE 520 0.123 -2.147 -1.028 386 HD2 PHE 520 2HD PHE 520 1.468 1.888 -0.856 387 HE1 PHE 520 1HE PHE 520 -1.045 -1.671 -3.141 388 HE2 PHE 520 2HE PHE 520 0.301 2.370 -2.968 389 HZ PHE 520 HZ PHE 520 -0.959 0.590 -4.113 390 HA PRO 521 HA PRO 521 3.360 -5.202 -0.162 391 HB2 PRO 521 1HB PRO 521 1.825 -6.373 1.747 392 HB3 PRO 521 2HB PRO 521 3.482 -5.833 2.044 393 HG2 PRO 521 1HG PRO 521 0.899 -4.475 2.712 394 HG3 PRO 521 2HG PRO 521 2.364 -4.639 3.697 395 HD2 PRO 521 1HD PRO 521 1.767 -2.373 2.341 396 HD3 PRO 521 2HD PRO 521 3.437 -2.909 2.616 397 H ALA 522 H ALA 522 2.283 -5.653 -1.987 398 HA ALA 522 HA ALA 522 -0.349 -4.990 -2.594 399 HB1 ALA 522 1HB ALA 522 1.353 -5.620 -4.261 400 HB2 ALA 522 2HB ALA 522 1.233 -7.296 -3.723 401 HB3 ALA 522 3HB ALA 522 -0.157 -6.509 -4.468 402 H ASP 523 H ASP 523 0.910 -7.620 -0.736 403 HA ASP 523 HA ASP 523 -1.297 -9.385 -0.960 404 HB2 ASP 523 1HB ASP 523 0.983 -10.024 -0.143 405 HB3 ASP 523 2HB ASP 523 0.640 -9.153 1.349 406 H CYS 524 H CYS 524 -1.029 -6.377 0.474 407 HA CYS 524 HA CYS 524 -3.256 -6.950 2.317 408 HB2 CYS 524 1HB CYS 524 -1.306 -4.644 2.486 409 HB3 CYS 524 2HB CYS 524 -2.533 -5.078 3.669 410 HG CYS 524 HG CYS 524 -1.286 -7.512 4.353 411 H VAL 525 H VAL 525 -2.949 -6.027 -0.655 412 HA VAL 525 HA VAL 525 -5.043 -3.975 -0.458 413 HB VAL 525 HB VAL 525 -4.093 -2.597 -2.118 414 HG11 VAL 525 1HG1 VAL 525 -2.375 -1.691 -0.942 415 HG12 VAL 525 2HG1 VAL 525 -2.930 -2.845 0.273 416 HG13 VAL 525 3HG1 VAL 525 -1.547 -3.236 -0.750 417 HG21 VAL 525 1HG2 VAL 525 -2.605 -5.020 -2.811 418 HG22 VAL 525 2HG2 VAL 525 -3.143 -3.687 -3.833 419 HG23 VAL 525 3HG2 VAL 525 -1.652 -3.539 -2.903 420 H GLU 526 H GLU 526 -6.490 -3.893 -2.232 421 HA GLU 526 HA GLU 526 -6.259 -5.921 -4.299 422 HB2 GLU 526 1HB GLU 526 -8.065 -6.143 -1.994 423 HB3 GLU 526 2HB GLU 526 -8.865 -6.329 -3.548 424 HG2 GLU 526 1HG GLU 526 -6.358 -7.845 -3.088 425 HG3 GLU 526 2HG GLU 526 -7.817 -8.376 -2.255 426 H GLU 527 H GLU 527 -7.323 -5.394 -6.159 427 HA GLU 527 HA GLU 527 -7.973 -2.742 -6.667 428 HB2 GLU 527 1HB GLU 527 -8.988 -5.153 -8.180 429 HB3 GLU 527 2HB GLU 527 -8.867 -3.509 -8.792 430 HG2 GLU 527 1HG GLU 527 -6.659 -3.670 -9.188 431 HG3 GLU 527 2HG GLU 527 -6.367 -4.675 -7.770 432 H VAL 528 H VAL 528 -9.988 -1.722 -7.149 433 HA VAL 528 HA VAL 528 -11.929 -1.901 -5.215 434 HB VAL 528 HB VAL 528 -13.434 -0.686 -6.782 435 HG11 VAL 528 1HG1 VAL 528 -11.186 0.193 -5.537 436 HG12 VAL 528 2HG1 VAL 528 -10.885 0.706 -7.199 437 HG13 VAL 528 3HG1 VAL 528 -12.346 1.234 -6.362 438 HG21 VAL 528 1HG2 VAL 528 -11.792 -1.915 -8.730 439 HG22 VAL 528 2HG2 VAL 528 -13.185 -0.864 -8.982 440 HG23 VAL 528 3HG2 VAL 528 -11.566 -0.172 -8.871 441 H GLN 529 H GLN 529 -11.580 -3.804 -8.107 442 HA GLN 529 HA GLN 529 -14.224 -4.822 -8.218 443 HB2 GLN 529 1HB GLN 529 -11.640 -5.985 -9.269 444 HB3 GLN 529 2HB GLN 529 -13.247 -6.571 -9.678 445 HG2 GLN 529 1HG GLN 529 -12.345 -3.755 -10.207 446 HG3 GLN 529 2HG GLN 529 -12.157 -5.068 -11.369 447 HE21 GLN 529 1HE2 GLN 529 -15.580 -3.080 -11.150 448 HE22 GLN 529 2HE2 GLN 529 -14.098 -2.580 -10.418 449 H MET 530 H MET 530 -15.181 -6.456 -7.161 450 HA MET 530 HA MET 530 -14.166 -7.452 -4.769 451 HB2 MET 530 1HB MET 530 -16.383 -8.382 -6.576 452 HB3 MET 530 2HB MET 530 -15.995 -9.242 -5.091 453 HG2 MET 530 1HG MET 530 -16.347 -7.126 -3.843 454 HG3 MET 530 2HG MET 530 -16.884 -6.382 -5.347 455 HE1 MET 530 1HE MET 530 -20.299 -7.847 -6.048 456 HE2 MET 530 2HE MET 530 -19.124 -6.567 -6.353 457 HE3 MET 530 3HE MET 530 -18.775 -8.223 -6.852 Start of MODEL 15 1 H1 MET 470 H MET 470 -12.710 -2.033 -19.405 2 HA MET 470 HA MET 470 -14.138 0.221 -19.030 3 HB2 MET 470 1HB MET 470 -14.582 -2.461 -17.719 4 HB3 MET 470 2HB MET 470 -15.770 -1.164 -17.697 5 HG2 MET 470 1HG MET 470 -15.773 -1.197 -20.176 6 HG3 MET 470 2HG MET 470 -14.699 -2.593 -20.117 7 HE1 MET 470 1HE MET 470 -18.477 -2.434 -17.798 8 HE2 MET 470 2HE MET 470 -17.655 -1.072 -18.557 9 HE3 MET 470 3HE MET 470 -18.945 -1.914 -19.418 10 H VAL 471 H VAL 471 -11.670 0.488 -17.551 11 HA VAL 471 HA VAL 471 -12.794 1.251 -14.939 12 HB VAL 471 HB VAL 471 -11.441 -0.657 -14.468 13 HG11 VAL 471 1HG1 VAL 471 -9.882 -1.240 -15.946 14 HG12 VAL 471 2HG1 VAL 471 -9.803 0.393 -16.609 15 HG13 VAL 471 3HG1 VAL 471 -8.835 -0.036 -15.198 16 HG21 VAL 471 1HG2 VAL 471 -9.533 1.548 -13.830 17 HG22 VAL 471 2HG2 VAL 471 -11.158 1.582 -13.148 18 HG23 VAL 471 3HG2 VAL 471 -10.092 0.217 -12.817 19 HA PRO 472 HA PRO 472 -11.004 4.981 -16.950 20 HB2 PRO 472 1HB PRO 472 -12.887 6.671 -15.966 21 HB3 PRO 472 2HB PRO 472 -13.118 5.732 -17.446 22 HG2 PRO 472 1HG PRO 472 -14.107 5.176 -14.676 23 HG3 PRO 472 2HG PRO 472 -14.962 5.019 -16.221 24 HD2 PRO 472 1HD PRO 472 -13.893 2.895 -14.925 25 HD3 PRO 472 2HD PRO 472 -13.991 2.984 -16.696 26 H GLY 473 H GLY 473 -11.725 4.041 -13.713 27 HA2 GLY 473 1HA GLY 473 -9.799 6.052 -12.739 28 HA3 GLY 473 2HA GLY 473 -11.294 5.745 -11.868 29 H ARG 474 H ARG 474 -8.055 4.902 -12.192 30 HA ARG 474 HA ARG 474 -8.224 2.210 -11.228 31 HB2 ARG 474 1HB ARG 474 -6.260 3.730 -12.426 32 HB3 ARG 474 2HB ARG 474 -5.688 3.595 -10.769 33 HG2 ARG 474 1HG ARG 474 -4.778 1.679 -11.463 34 HG3 ARG 474 2HG ARG 474 -6.410 1.029 -11.296 35 HD2 ARG 474 1HD ARG 474 -5.850 0.377 -13.439 36 HD3 ARG 474 2HD ARG 474 -6.719 1.885 -13.728 37 HE ARG 474 HE ARG 474 -4.104 2.634 -13.512 38 HH11 ARG 474 1HH1 ARG 474 -4.789 0.524 -16.844 39 HH12 ARG 474 2HH1 ARG 474 -5.861 0.373 -15.491 40 HH21 ARG 474 1HH2 ARG 474 -2.982 1.928 -16.726 41 HH22 ARG 474 2HH2 ARG 474 -2.685 2.842 -15.286 42 H LYS 475 H LYS 475 -9.105 1.915 -9.269 43 HA LYS 475 HA LYS 475 -7.950 3.427 -7.022 44 HB2 LYS 475 1HB LYS 475 -10.104 4.322 -7.138 45 HB3 LYS 475 2HB LYS 475 -10.822 2.788 -7.611 46 HG2 LYS 475 1HG LYS 475 -10.871 1.989 -5.454 47 HG3 LYS 475 2HG LYS 475 -9.575 3.060 -4.915 48 HD2 LYS 475 1HD LYS 475 -12.275 4.080 -5.769 49 HD3 LYS 475 2HD LYS 475 -11.918 3.612 -4.104 50 HE2 LYS 475 1HE LYS 475 -10.345 5.323 -3.841 51 HE3 LYS 475 2HE LYS 475 -10.185 5.567 -5.580 52 HZ1 LYS 475 1HZ LYS 475 -11.601 7.179 -4.082 53 HZ2 LYS 475 2HZ LYS 475 -12.809 6.033 -4.379 54 HZ3 LYS 475 3HZ LYS 475 -12.056 6.823 -5.672 55 H PHE 476 H PHE 476 -7.614 2.294 -5.107 56 HA PHE 476 HA PHE 476 -8.083 -0.608 -5.215 57 HB2 PHE 476 1HB PHE 476 -5.532 0.865 -4.807 58 HB3 PHE 476 2HB PHE 476 -5.797 -0.567 -3.820 59 HD1 PHE 476 1HD PHE 476 -5.716 0.632 -7.326 60 HD2 PHE 476 2HD PHE 476 -5.433 -2.699 -4.692 61 HE1 PHE 476 1HE PHE 476 -4.991 -0.785 -9.202 62 HE2 PHE 476 2HE PHE 476 -4.706 -4.121 -6.564 63 HZ PHE 476 HZ PHE 476 -4.483 -3.164 -8.822 64 H ILE 477 H ILE 477 -7.970 -1.654 -3.068 65 HA ILE 477 HA ILE 477 -8.581 0.166 -0.847 66 HB ILE 477 HB ILE 477 -10.706 -0.688 -1.874 67 HG12 ILE 477 1HG1 ILE 477 -11.384 -1.789 0.506 68 HG13 ILE 477 2HG1 ILE 477 -9.873 -1.004 0.949 69 HG21 ILE 477 1HG2 ILE 477 -11.166 -2.873 -2.134 70 HG22 ILE 477 2HG2 ILE 477 -9.414 -3.057 -2.076 71 HG23 ILE 477 3HG2 ILE 477 -10.377 -3.325 -0.623 72 HD11 ILE 477 1HD1 ILE 477 -11.247 0.728 1.356 73 HD12 ILE 477 2HD1 ILE 477 -11.051 1.003 -0.376 74 HD13 ILE 477 3HD1 ILE 477 -12.477 0.160 0.227 75 H ALA 478 H ALA 478 -7.730 -0.419 1.071 76 HA ALA 478 HA ALA 478 -5.941 -2.690 1.118 77 HB1 ALA 478 1HB ALA 478 -6.405 -1.105 3.574 78 HB2 ALA 478 2HB ALA 478 -4.897 -1.668 2.852 79 HB3 ALA 478 3HB ALA 478 -5.718 -0.256 2.189 80 H VAL 479 H VAL 479 -6.225 -4.578 2.165 81 HA VAL 479 HA VAL 479 -8.802 -4.980 3.523 82 HB VAL 479 HB VAL 479 -8.235 -7.453 3.176 83 HG11 VAL 479 1HG1 VAL 479 -9.630 -7.390 1.428 84 HG12 VAL 479 2HG1 VAL 479 -9.612 -5.640 1.652 85 HG13 VAL 479 3HG1 VAL 479 -8.535 -6.390 0.474 86 HG21 VAL 479 1HG2 VAL 479 -6.614 -6.796 0.836 87 HG22 VAL 479 2HG2 VAL 479 -5.810 -6.468 2.372 88 HG23 VAL 479 3HG2 VAL 479 -6.420 -8.085 2.025 89 H LYS 480 H LYS 480 -5.334 -5.343 3.861 90 HA LYS 480 HA LYS 480 -5.726 -6.241 6.638 91 HB2 LYS 480 1HB LYS 480 -3.101 -6.463 5.212 92 HB3 LYS 480 2HB LYS 480 -3.726 -7.426 6.543 93 HG2 LYS 480 1HG LYS 480 -4.640 -7.542 3.677 94 HG3 LYS 480 2HG LYS 480 -3.647 -8.736 4.514 95 HD2 LYS 480 1HD LYS 480 -6.488 -7.988 5.207 96 HD3 LYS 480 2HD LYS 480 -5.973 -9.464 4.387 97 HE2 LYS 480 1HE LYS 480 -5.367 -8.616 7.213 98 HE3 LYS 480 2HE LYS 480 -6.335 -9.993 6.687 99 HZ1 LYS 480 1HZ LYS 480 -3.469 -9.738 6.923 100 HZ2 LYS 480 2HZ LYS 480 -3.982 -10.471 5.487 101 HZ3 LYS 480 3HZ LYS 480 -4.442 -11.120 6.980 102 H ALA 481 H ALA 481 -3.441 -5.647 7.839 103 HA ALA 481 HA ALA 481 -3.251 -2.718 7.597 104 HB1 ALA 481 1HB ALA 481 -2.882 -2.572 9.915 105 HB2 ALA 481 2HB ALA 481 -4.195 -3.734 9.725 106 HB3 ALA 481 3HB ALA 481 -2.557 -4.300 10.054 107 H HIS 482 H HIS 482 -1.182 -1.732 8.037 108 HA HIS 482 HA HIS 482 1.199 -3.299 8.185 109 HB2 HIS 482 1HB HIS 482 0.562 -3.622 5.794 110 HB3 HIS 482 2HB HIS 482 0.677 -1.880 5.566 111 HD1 HIS 482 1HD HIS 482 2.833 -4.881 6.331 112 HD2 HIS 482 2HD HIS 482 3.219 -0.919 5.140 113 HE1 HIS 482 1HE HIS 482 5.253 -4.599 5.706 114 H SER 483 H SER 483 3.096 -2.020 8.412 115 HA SER 483 HA SER 483 2.565 0.850 8.821 116 HB2 SER 483 1HB SER 483 4.727 -0.091 10.479 117 HB3 SER 483 2HB SER 483 3.224 0.698 10.958 118 HG SER 483 HG SER 483 3.925 -1.893 11.172 119 HA PRO 484 HA PRO 484 6.008 1.741 6.249 120 HB2 PRO 484 1HB PRO 484 6.968 4.001 7.406 121 HB3 PRO 484 2HB PRO 484 5.460 3.960 6.485 122 HG2 PRO 484 1HG PRO 484 5.871 3.881 9.449 123 HG3 PRO 484 2HG PRO 484 4.676 4.793 8.510 124 HD2 PRO 484 1HD PRO 484 4.071 2.483 9.785 125 HD3 PRO 484 2HD PRO 484 3.289 2.968 8.268 126 H GLN 485 H GLN 485 7.652 0.310 6.362 127 HA GLN 485 HA GLN 485 9.088 -0.488 8.574 128 HB2 GLN 485 1HB GLN 485 10.103 -0.260 5.735 129 HB3 GLN 485 2HB GLN 485 10.829 -1.237 7.006 130 HG2 GLN 485 1HG GLN 485 8.141 -1.620 5.716 131 HG3 GLN 485 2HG GLN 485 9.553 -2.670 5.599 132 HE21 GLN 485 1HE2 GLN 485 7.042 -2.869 8.780 133 HE22 GLN 485 2HE2 GLN 485 6.919 -1.612 7.600 134 H GLY 486 H GLY 486 9.483 2.380 6.617 135 HA2 GLY 486 1HA GLY 486 10.770 3.912 8.493 136 HA3 GLY 486 2HA GLY 486 12.065 3.073 7.651 137 H GLU 487 H GLU 487 12.132 3.317 5.276 138 HA GLU 487 HA GLU 487 11.004 5.896 4.408 139 HB2 GLU 487 1HB GLU 487 13.702 4.917 3.511 140 HB3 GLU 487 2HB GLU 487 13.029 6.537 3.388 141 HG2 GLU 487 1HG GLU 487 13.042 6.480 5.971 142 HG3 GLU 487 2HG GLU 487 14.177 5.147 5.769 143 H GLY 488 H GLY 488 9.802 5.748 2.634 144 HA2 GLY 488 1HA GLY 488 9.352 5.133 0.405 145 HA3 GLY 488 2HA GLY 488 10.504 3.814 0.560 146 H GLU 489 H GLU 489 8.134 4.278 3.040 147 HA GLU 489 HA GLU 489 6.359 2.270 1.882 148 HB2 GLU 489 1HB GLU 489 7.621 1.951 4.610 149 HB3 GLU 489 2HB GLU 489 6.408 0.892 3.906 150 HG2 GLU 489 1HG GLU 489 8.230 -0.326 3.389 151 HG3 GLU 489 2HG GLU 489 8.242 0.738 1.983 152 H ILE 490 H ILE 490 4.257 2.383 2.600 153 HA ILE 490 HA ILE 490 3.663 4.556 4.502 154 HB ILE 490 HB ILE 490 1.418 4.641 3.227 155 HG12 ILE 490 1HG1 ILE 490 3.187 3.358 1.133 156 HG13 ILE 490 2HG1 ILE 490 1.789 2.606 1.895 157 HG21 ILE 490 1HG2 ILE 490 3.804 5.635 1.699 158 HG22 ILE 490 2HG2 ILE 490 2.216 6.383 1.864 159 HG23 ILE 490 3HG2 ILE 490 3.314 6.332 3.242 160 HD11 ILE 490 1HD1 ILE 490 1.924 4.402 -0.358 161 HD12 ILE 490 2HD1 ILE 490 0.596 3.383 0.199 162 HD13 ILE 490 3HD1 ILE 490 0.816 4.994 0.882 163 HA PRO 491 HA PRO 491 1.367 1.747 6.971 164 HB2 PRO 491 1HB PRO 491 -0.664 3.320 7.847 165 HB3 PRO 491 2HB PRO 491 0.999 3.493 8.419 166 HG2 PRO 491 1HG PRO 491 -0.465 5.078 6.345 167 HG3 PRO 491 2HG PRO 491 0.616 5.646 7.629 168 HD2 PRO 491 1HD PRO 491 1.425 5.372 5.060 169 HD3 PRO 491 2HD PRO 491 2.517 5.118 6.437 170 H LEU 492 H LEU 492 -0.884 0.873 7.341 171 HA LEU 492 HA LEU 492 -2.765 1.200 5.170 172 HB2 LEU 492 1HB LEU 492 -1.195 -1.328 5.575 173 HB3 LEU 492 2HB LEU 492 -2.768 -1.322 4.780 174 HG LEU 492 HG LEU 492 -0.267 0.075 3.832 175 HD11 LEU 492 1HD1 LEU 492 -1.700 -2.425 3.043 176 HD12 LEU 492 2HD1 LEU 492 0.025 -2.148 3.280 177 HD13 LEU 492 3HD1 LEU 492 -0.782 -1.511 1.847 178 HD21 LEU 492 1HD2 LEU 492 -3.037 0.603 3.283 179 HD22 LEU 492 2HD2 LEU 492 -2.221 0.034 1.825 180 HD23 LEU 492 3HD2 LEU 492 -1.599 1.438 2.694 181 H HIS 493 H HIS 493 -4.826 0.500 5.678 182 HA HIS 493 HA HIS 493 -5.253 -0.987 8.144 183 HB2 HIS 493 1HB HIS 493 -5.652 1.888 7.901 184 HB3 HIS 493 2HB HIS 493 -7.125 1.052 8.380 185 HD1 HIS 493 1HD HIS 493 -7.291 0.298 10.768 186 HD2 HIS 493 2HD HIS 493 -3.449 1.495 9.733 187 HE1 HIS 493 1HE HIS 493 -5.996 0.338 12.923 188 H ARG 494 H ARG 494 -6.986 -2.296 8.025 189 HA ARG 494 HA ARG 494 -8.247 -2.868 5.640 190 HB2 ARG 494 1HB ARG 494 -9.936 -4.077 7.017 191 HB3 ARG 494 2HB ARG 494 -8.274 -4.448 7.455 192 HG2 ARG 494 1HG ARG 494 -8.573 -2.627 9.252 193 HG3 ARG 494 2HG ARG 494 -10.300 -2.835 8.948 194 HD2 ARG 494 1HD ARG 494 -10.181 -5.160 9.529 195 HD3 ARG 494 2HD ARG 494 -8.424 -5.087 9.647 196 HE ARG 494 HE ARG 494 -9.463 -3.229 11.440 197 HH11 ARG 494 1HH1 ARG 494 -9.584 -7.042 12.652 198 HH12 ARG 494 2HH1 ARG 494 -9.447 -6.678 10.965 199 HH21 ARG 494 1HH2 ARG 494 -9.696 -5.346 14.187 200 HH22 ARG 494 2HH2 ARG 494 -9.643 -3.697 13.665 201 H GLY 495 H GLY 495 -9.678 -1.801 4.452 202 HA2 GLY 495 1HA GLY 495 -11.888 -0.839 4.255 203 HA3 GLY 495 2HA GLY 495 -11.648 -0.089 5.826 204 H GLU 496 H GLU 496 -8.783 0.485 4.760 205 HA GLU 496 HA GLU 496 -9.356 3.160 3.941 206 HB2 GLU 496 1HB GLU 496 -6.775 1.599 4.092 207 HB3 GLU 496 2HB GLU 496 -6.857 3.297 3.644 208 HG2 GLU 496 1HG GLU 496 -7.105 2.018 6.274 209 HG3 GLU 496 2HG GLU 496 -6.487 3.609 5.833 210 H ALA 497 H ALA 497 -8.556 4.156 1.964 211 HA ALA 497 HA ALA 497 -8.857 2.343 -0.332 212 HB1 ALA 497 1HB ALA 497 -9.883 4.024 -1.510 213 HB2 ALA 497 2HB ALA 497 -10.401 4.407 0.132 214 HB3 ALA 497 3HB ALA 497 -9.073 5.302 -0.606 215 H VAL 498 H VAL 498 -7.018 1.801 -1.294 216 HA VAL 498 HA VAL 498 -4.732 3.632 -1.163 217 HB VAL 498 HB VAL 498 -4.614 0.825 -2.226 218 HG11 VAL 498 1HG1 VAL 498 -2.654 2.137 -2.624 219 HG12 VAL 498 2HG1 VAL 498 -2.619 2.689 -0.948 220 HG13 VAL 498 3HG1 VAL 498 -2.290 0.998 -1.328 221 HG21 VAL 498 1HG2 VAL 498 -4.029 0.068 0.044 222 HG22 VAL 498 2HG2 VAL 498 -4.450 1.663 0.668 223 HG23 VAL 498 3HG2 VAL 498 -5.692 0.646 -0.062 224 H LYS 499 H LYS 499 -3.414 3.951 -3.073 225 HA LYS 499 HA LYS 499 -4.888 3.631 -5.600 226 HB2 LYS 499 1HB LYS 499 -4.682 6.029 -4.388 227 HB3 LYS 499 2HB LYS 499 -3.179 6.035 -5.301 228 HG2 LYS 499 1HG LYS 499 -4.678 7.062 -6.734 229 HG3 LYS 499 2HG LYS 499 -4.647 5.396 -7.315 230 HD2 LYS 499 1HD LYS 499 -6.922 5.969 -7.258 231 HD3 LYS 499 2HD LYS 499 -6.665 5.011 -5.798 232 HE2 LYS 499 1HE LYS 499 -6.276 7.926 -5.533 233 HE3 LYS 499 2HE LYS 499 -7.929 7.388 -5.826 234 HZ1 LYS 499 1HZ LYS 499 -8.071 6.856 -3.697 235 HZ2 LYS 499 2HZ LYS 499 -6.461 7.303 -3.432 236 HZ3 LYS 499 3HZ LYS 499 -6.835 5.716 -3.884 237 H VAL 500 H VAL 500 -3.675 1.998 -6.438 238 HA VAL 500 HA VAL 500 -0.866 1.789 -6.227 239 HB VAL 500 HB VAL 500 -2.730 0.561 -8.263 240 HG11 VAL 500 1HG1 VAL 500 -0.837 0.020 -9.328 241 HG12 VAL 500 2HG1 VAL 500 0.173 0.470 -7.953 242 HG13 VAL 500 3HG1 VAL 500 -0.585 -1.121 -8.008 243 HG21 VAL 500 1HG2 VAL 500 -3.169 0.009 -5.869 244 HG22 VAL 500 2HG2 VAL 500 -2.736 -1.382 -6.863 245 HG23 VAL 500 3HG2 VAL 500 -1.543 -0.666 -5.779 246 H LEU 501 H LEU 501 0.765 2.541 -7.463 247 HA LEU 501 HA LEU 501 0.073 4.022 -9.911 248 HB2 LEU 501 1HB LEU 501 2.002 4.843 -7.748 249 HB3 LEU 501 2HB LEU 501 1.887 5.626 -9.323 250 HG LEU 501 HG LEU 501 -0.228 5.570 -7.173 251 HD11 LEU 501 1HD1 LEU 501 1.858 7.475 -7.991 252 HD12 LEU 501 2HD1 LEU 501 1.054 7.265 -6.436 253 HD13 LEU 501 3HD1 LEU 501 0.257 8.164 -7.725 254 HD21 LEU 501 1HD2 LEU 501 -1.245 5.426 -9.386 255 HD22 LEU 501 2HD2 LEU 501 -0.301 6.816 -9.920 256 HD23 LEU 501 3HD2 LEU 501 -1.523 7.011 -8.664 257 H SER 502 H SER 502 2.730 2.543 -8.067 258 HA SER 502 HA SER 502 3.899 1.681 -10.631 259 HB2 SER 502 1HB SER 502 5.148 3.048 -8.321 260 HB3 SER 502 2HB SER 502 6.072 1.718 -9.018 261 HG SER 502 HG SER 502 5.788 4.197 -9.943 262 H ILE 503 H ILE 503 5.364 -0.235 -10.379 263 HA ILE 503 HA ILE 503 4.402 -2.041 -8.260 264 HB ILE 503 HB ILE 503 4.904 -2.801 -11.141 265 HG12 ILE 503 1HG1 ILE 503 2.819 -1.533 -10.846 266 HG13 ILE 503 2HG1 ILE 503 2.488 -3.217 -11.238 267 HG21 ILE 503 1HG2 ILE 503 3.527 -4.842 -9.863 268 HG22 ILE 503 2HG2 ILE 503 5.228 -4.845 -10.325 269 HG23 ILE 503 3HG2 ILE 503 4.757 -4.346 -8.701 270 HD11 ILE 503 1HD1 ILE 503 1.016 -2.285 -9.488 271 HD12 ILE 503 2HD1 ILE 503 1.936 -3.693 -8.956 272 HD13 ILE 503 3HD1 ILE 503 2.430 -2.076 -8.457 273 H GLY 504 H GLY 504 5.924 -3.198 -7.214 274 HA2 GLY 504 1HA GLY 504 8.706 -2.665 -7.893 275 HA3 GLY 504 2HA GLY 504 8.117 -3.422 -6.420 276 H GLU 505 H GLU 505 8.234 -5.578 -6.237 277 HA GLU 505 HA GLU 505 8.758 -7.137 -8.680 278 HB2 GLU 505 1HB GLU 505 10.029 -7.741 -6.015 279 HB3 GLU 505 2HB GLU 505 10.436 -8.416 -7.585 280 HG2 GLU 505 1HG GLU 505 12.129 -6.938 -7.420 281 HG3 GLU 505 2HG GLU 505 10.923 -5.858 -8.117 282 H GLY 506 H GLY 506 6.284 -7.214 -8.240 283 HA2 GLY 506 1HA GLY 506 4.444 -8.435 -7.602 284 HA3 GLY 506 2HA GLY 506 5.550 -9.801 -7.620 285 H GLY 507 H GLY 507 4.621 -7.046 -5.557 286 HA2 GLY 507 1HA GLY 507 3.754 -8.370 -3.357 287 HA3 GLY 507 2HA GLY 507 5.501 -8.422 -3.175 288 H PHE 508 H PHE 508 6.032 -5.860 -4.333 289 HA PHE 508 HA PHE 508 4.801 -4.087 -2.328 290 HB2 PHE 508 1HB PHE 508 7.458 -4.867 -2.385 291 HB3 PHE 508 2HB PHE 508 7.480 -3.291 -3.172 292 HD1 PHE 508 1HD PHE 508 5.548 -4.701 -0.307 293 HD2 PHE 508 2HD PHE 508 8.195 -1.678 -1.710 294 HE1 PHE 508 1HE PHE 508 5.461 -3.607 1.896 295 HE2 PHE 508 2HE PHE 508 8.114 -0.580 0.489 296 HZ PHE 508 HZ PHE 508 6.746 -1.545 2.296 297 H TRP 509 H TRP 509 3.552 -2.672 -3.345 298 HA TRP 509 HA TRP 509 4.462 -1.602 -5.936 299 HB2 TRP 509 1HB TRP 509 1.618 -1.727 -4.914 300 HB3 TRP 509 2HB TRP 509 2.145 -1.241 -6.523 301 HD1 TRP 509 HD TRP 509 4.299 -3.893 -6.434 302 HE1 TRP 509 1HE TRP 509 3.279 -6.147 -7.144 303 HE3 TRP 509 3HE TRP 509 -0.654 -2.764 -5.853 304 HZ2 TRP 509 2HZ TRP 509 0.715 -7.295 -7.422 305 HZ3 TRP 509 3HZ TRP 509 -2.326 -4.495 -6.362 306 HH2 TRP 509 HH TRP 509 -1.654 -6.714 -7.131 307 H GLU 510 H GLU 510 4.252 0.619 -6.335 308 HA GLU 510 HA GLU 510 4.232 2.248 -3.906 309 HB2 GLU 510 1HB GLU 510 6.062 3.045 -4.943 310 HB3 GLU 510 2HB GLU 510 5.575 2.388 -6.499 311 HG2 GLU 510 1HG GLU 510 5.738 4.777 -6.651 312 HG3 GLU 510 2HG GLU 510 4.049 4.295 -6.801 313 H GLY 511 H GLY 511 2.663 3.666 -3.439 314 HA2 GLY 511 1HA GLY 511 0.994 4.837 -5.469 315 HA3 GLY 511 2HA GLY 511 0.157 3.624 -4.510 316 H THR 512 H THR 512 -1.253 5.351 -3.834 317 HA THR 512 HA THR 512 -0.112 6.852 -1.581 318 HB THR 512 HB THR 512 -2.023 7.977 -3.636 319 HG1 THR 512 1HG THR 512 0.625 8.755 -2.913 320 HG21 THR 512 1HG2 THR 512 -1.918 10.048 -2.335 321 HG22 THR 512 2HG2 THR 512 -0.919 9.242 -1.124 322 HG23 THR 512 3HG2 THR 512 -2.588 8.730 -1.373 323 H VAL 513 H VAL 513 -1.370 6.961 0.222 324 HA VAL 513 HA VAL 513 -4.167 6.175 0.103 325 HB VAL 513 HB VAL 513 -2.713 4.079 0.407 326 HG11 VAL 513 1HG1 VAL 513 -1.350 5.427 2.210 327 HG12 VAL 513 2HG1 VAL 513 -2.601 4.810 3.291 328 HG13 VAL 513 3HG1 VAL 513 -1.599 3.689 2.369 329 HG21 VAL 513 1HG2 VAL 513 -4.284 3.444 2.475 330 HG22 VAL 513 2HG2 VAL 513 -5.081 4.931 1.965 331 HG23 VAL 513 3HG2 VAL 513 -4.890 3.598 0.827 332 H LYS 514 H LYS 514 -5.373 7.157 1.632 333 HA LYS 514 HA LYS 514 -5.928 8.655 3.255 334 HB2 LYS 514 1HB LYS 514 -3.519 7.576 4.720 335 HB3 LYS 514 2HB LYS 514 -4.954 8.310 5.422 336 HG2 LYS 514 1HG LYS 514 -4.781 5.655 4.017 337 HG3 LYS 514 2HG LYS 514 -5.049 5.938 5.738 338 HD2 LYS 514 1HD LYS 514 -6.904 6.744 3.498 339 HD3 LYS 514 2HD LYS 514 -7.137 5.382 4.597 340 HE2 LYS 514 1HE LYS 514 -7.132 8.317 5.274 341 HE3 LYS 514 2HE LYS 514 -8.485 7.194 5.376 342 HZ1 LYS 514 1HZ LYS 514 -7.735 7.399 7.552 343 HZ2 LYS 514 2HZ LYS 514 -6.102 7.360 7.111 344 HZ3 LYS 514 3HZ LYS 514 -7.033 5.949 7.037 345 H GLY 515 H GLY 515 -3.901 9.410 1.183 346 HA2 GLY 515 1HA GLY 515 -3.114 11.592 0.755 347 HA3 GLY 515 2HA GLY 515 -3.060 11.888 2.486 348 H ARG 516 H ARG 516 -1.656 9.199 2.768 349 HA ARG 516 HA ARG 516 1.011 10.268 2.565 350 HB2 ARG 516 1HB ARG 516 0.041 7.553 3.476 351 HB3 ARG 516 2HB ARG 516 1.689 8.147 3.633 352 HG2 ARG 516 1HG ARG 516 1.047 8.774 5.677 353 HG3 ARG 516 2HG ARG 516 0.283 10.132 4.847 354 HD2 ARG 516 1HD ARG 516 -1.792 8.768 4.667 355 HD3 ARG 516 2HD ARG 516 -1.011 7.532 5.651 356 HE ARG 516 HE ARG 516 -2.130 10.018 6.556 357 HH11 ARG 516 1HH1 ARG 516 0.199 7.803 8.944 358 HH12 ARG 516 2HH1 ARG 516 0.181 7.505 7.236 359 HH21 ARG 516 1HH2 ARG 516 -1.107 9.463 9.832 360 HH22 ARG 516 2HH2 ARG 516 -2.115 10.421 8.801 361 H THR 517 H THR 517 2.689 9.508 1.297 362 HA THR 517 HA THR 517 1.884 7.779 -0.952 363 HB THR 517 HB THR 517 4.009 9.931 -0.994 364 HG1 THR 517 1HG THR 517 1.672 10.573 -0.864 365 HG21 THR 517 1HG2 THR 517 3.888 9.587 -3.449 366 HG22 THR 517 2HG2 THR 517 2.809 8.220 -3.174 367 HG23 THR 517 3HG2 THR 517 4.469 8.167 -2.582 368 H GLY 518 H GLY 518 3.319 6.205 -1.678 369 HA2 GLY 518 1HA GLY 518 5.898 5.700 -1.256 370 HA3 GLY 518 2HA GLY 518 5.238 5.326 0.330 371 H TRP 519 H TRP 519 6.304 3.219 -0.389 372 HA TRP 519 HA TRP 519 4.648 1.648 -2.203 373 HB2 TRP 519 1HB TRP 519 7.166 0.869 -0.715 374 HB3 TRP 519 2HB TRP 519 6.369 -0.076 -1.971 375 HD1 TRP 519 HD TRP 519 8.109 3.374 -1.602 376 HE1 TRP 519 1HE TRP 519 9.254 3.924 -3.841 377 HE3 TRP 519 3HE TRP 519 6.546 -0.661 -4.327 378 HZ2 TRP 519 2HZ TRP 519 9.467 2.797 -6.420 379 HZ3 TRP 519 3HZ TRP 519 7.263 -0.848 -6.673 380 HH2 TRP 519 HH TRP 519 8.694 0.845 -7.696 381 H PHE 520 H PHE 520 3.733 -0.381 -1.588 382 HA PHE 520 HA PHE 520 3.520 -0.978 1.247 383 HB2 PHE 520 1HB PHE 520 1.005 -1.051 1.099 384 HB3 PHE 520 2HB PHE 520 1.701 0.565 1.047 385 HD1 PHE 520 1HD PHE 520 1.479 1.947 -0.876 386 HD2 PHE 520 2HD PHE 520 0.096 -2.078 -0.942 387 HE1 PHE 520 1HE PHE 520 0.278 2.397 -2.976 388 HE2 PHE 520 2HE PHE 520 -1.107 -1.634 -3.041 389 HZ PHE 520 HZ PHE 520 -1.017 0.606 -4.062 390 HA PRO 521 HA PRO 521 3.327 -5.131 -0.152 391 HB2 PRO 521 1HB PRO 521 1.804 -6.289 1.775 392 HB3 PRO 521 2HB PRO 521 3.468 -5.763 2.053 393 HG2 PRO 521 1HG PRO 521 0.906 -4.382 2.749 394 HG3 PRO 521 2HG PRO 521 2.381 -4.559 3.718 395 HD2 PRO 521 1HD PRO 521 1.787 -2.288 2.367 396 HD3 PRO 521 2HD PRO 521 3.456 -2.839 2.623 397 H ALA 522 H ALA 522 2.225 -5.583 -1.962 398 HA ALA 522 HA ALA 522 -0.411 -4.896 -2.535 399 HB1 ALA 522 1HB ALA 522 1.300 -5.546 -4.208 400 HB2 ALA 522 2HB ALA 522 1.107 -7.225 -3.700 401 HB3 ALA 522 3HB ALA 522 -0.247 -6.364 -4.432 402 H ASP 523 H ASP 523 0.850 -7.509 -0.670 403 HA ASP 523 HA ASP 523 -1.353 -9.284 -0.887 404 HB2 ASP 523 1HB ASP 523 0.858 -10.015 -0.097 405 HB3 ASP 523 2HB ASP 523 0.681 -9.006 1.337 406 H CYS 524 H CYS 524 -1.103 -6.265 0.514 407 HA CYS 524 HA CYS 524 -3.308 -6.835 2.384 408 HB2 CYS 524 1HB CYS 524 -1.374 -4.514 2.495 409 HB3 CYS 524 2HB CYS 524 -2.599 -4.919 3.690 410 HG CYS 524 HG CYS 524 -1.346 -7.342 4.421 411 H VAL 525 H VAL 525 -2.983 -5.905 -0.608 412 HA VAL 525 HA VAL 525 -5.109 -3.881 -0.422 413 HB VAL 525 HB VAL 525 -4.188 -2.543 -2.132 414 HG11 VAL 525 1HG1 VAL 525 -1.616 -3.134 -0.797 415 HG12 VAL 525 2HG1 VAL 525 -2.469 -1.602 -0.994 416 HG13 VAL 525 3HG1 VAL 525 -2.982 -2.745 0.248 417 HG21 VAL 525 1HG2 VAL 525 -3.260 -3.669 -3.833 418 HG22 VAL 525 2HG2 VAL 525 -1.756 -3.502 -2.927 419 HG23 VAL 525 3HG2 VAL 525 -2.708 -4.980 -2.790 420 H GLU 526 H GLU 526 -6.492 -3.756 -2.302 421 HA GLU 526 HA GLU 526 -6.332 -5.918 -4.233 422 HB2 GLU 526 1HB GLU 526 -8.338 -5.801 -2.041 423 HB3 GLU 526 2HB GLU 526 -8.906 -6.290 -3.631 424 HG2 GLU 526 1HG GLU 526 -7.411 -8.141 -3.681 425 HG3 GLU 526 2HG GLU 526 -6.587 -7.586 -2.225 426 H GLU 527 H GLU 527 -6.998 -5.246 -6.171 427 HA GLU 527 HA GLU 527 -7.673 -2.629 -6.736 428 HB2 GLU 527 1HB GLU 527 -7.052 -4.761 -8.250 429 HB3 GLU 527 2HB GLU 527 -8.783 -4.701 -8.545 430 HG2 GLU 527 1HG GLU 527 -7.801 -2.066 -8.790 431 HG3 GLU 527 2HG GLU 527 -6.716 -3.123 -9.692 432 H VAL 528 H VAL 528 -9.682 -1.747 -7.634 433 HA VAL 528 HA VAL 528 -11.801 -1.790 -5.905 434 HB VAL 528 HB VAL 528 -13.204 -0.990 -7.885 435 HG11 VAL 528 1HG1 VAL 528 -12.551 1.007 -7.171 436 HG12 VAL 528 2HG1 VAL 528 -11.166 0.248 -6.385 437 HG13 VAL 528 3HG1 VAL 528 -11.024 0.852 -8.036 438 HG21 VAL 528 1HG2 VAL 528 -11.283 -2.215 -9.381 439 HG22 VAL 528 2HG2 VAL 528 -12.395 -0.986 -9.980 440 HG23 VAL 528 3HG2 VAL 528 -10.774 -0.528 -9.457 441 H GLN 529 H GLN 529 -12.765 -3.615 -5.233 442 HA GLN 529 HA GLN 529 -13.223 -5.889 -6.849 443 HB2 GLN 529 1HB GLN 529 -14.600 -5.105 -4.274 444 HB3 GLN 529 2HB GLN 529 -14.568 -6.714 -4.984 445 HG2 GLN 529 1HG GLN 529 -12.582 -7.176 -4.103 446 HG3 GLN 529 2HG GLN 529 -11.909 -5.624 -4.597 447 HE21 GLN 529 1HE2 GLN 529 -13.128 -4.017 -1.552 448 HE22 GLN 529 2HE2 GLN 529 -13.264 -3.796 -3.260 449 H MET 530 H MET 530 -14.824 -2.916 -6.655 450 HA MET 530 HA MET 530 -17.259 -4.058 -7.856 451 HB2 MET 530 1HB MET 530 -16.820 -1.501 -6.318 452 HB3 MET 530 2HB MET 530 -18.282 -1.815 -7.244 453 HG2 MET 530 1HG MET 530 -18.811 -3.709 -5.868 454 HG3 MET 530 2HG MET 530 -17.277 -3.564 -5.013 455 HE1 MET 530 1HE MET 530 -20.680 -2.123 -5.804 456 HE2 MET 530 2HE MET 530 -20.929 -3.045 -4.322 457 HE3 MET 530 3HE MET 530 -21.137 -1.293 -4.317 Start of MODEL 16 1 H1 MET 470 H MET 470 -13.873 1.052 -20.995 2 HA MET 470 HA MET 470 -15.017 1.001 -18.952 3 HB2 MET 470 1HB MET 470 -14.924 -1.352 -18.114 4 HB3 MET 470 2HB MET 470 -15.182 -1.217 -19.849 5 HG2 MET 470 1HG MET 470 -12.814 -1.690 -20.235 6 HG3 MET 470 2HG MET 470 -12.567 -1.839 -18.496 7 HE1 MET 470 1HE MET 470 -11.794 -5.093 -19.372 8 HE2 MET 470 2HE MET 470 -12.492 -4.965 -20.987 9 HE3 MET 470 3HE MET 470 -11.548 -3.630 -20.325 10 H VAL 471 H VAL 471 -12.468 2.311 -18.593 11 HA VAL 471 HA VAL 471 -11.937 1.525 -15.804 12 HB VAL 471 HB VAL 471 -9.992 0.858 -17.014 13 HG11 VAL 471 1HG1 VAL 471 -9.729 1.791 -19.032 14 HG12 VAL 471 2HG1 VAL 471 -10.535 3.284 -18.551 15 HG13 VAL 471 3HG1 VAL 471 -8.829 3.044 -18.177 16 HG21 VAL 471 1HG2 VAL 471 -9.897 2.530 -14.911 17 HG22 VAL 471 2HG2 VAL 471 -8.463 1.820 -15.654 18 HG23 VAL 471 3HG2 VAL 471 -8.957 3.459 -16.078 19 HA PRO 472 HA PRO 472 -13.362 5.898 -15.842 20 HB2 PRO 472 1HB PRO 472 -14.685 5.705 -13.479 21 HB3 PRO 472 2HB PRO 472 -15.407 5.241 -15.025 22 HG2 PRO 472 1HG PRO 472 -14.158 3.515 -12.922 23 HG3 PRO 472 2HG PRO 472 -15.645 3.248 -13.851 24 HD2 PRO 472 1HD PRO 472 -13.304 2.037 -14.471 25 HD3 PRO 472 2HD PRO 472 -14.502 2.485 -15.701 26 H GLY 473 H GLY 473 -11.774 3.926 -13.407 27 HA2 GLY 473 1HA GLY 473 -9.795 5.830 -12.843 28 HA3 GLY 473 2HA GLY 473 -11.045 5.971 -11.615 29 H ARG 474 H ARG 474 -8.194 4.468 -12.416 30 HA ARG 474 HA ARG 474 -8.579 1.905 -11.257 31 HB2 ARG 474 1HB ARG 474 -6.584 3.102 -12.714 32 HB3 ARG 474 2HB ARG 474 -5.860 2.993 -11.114 33 HG2 ARG 474 1HG ARG 474 -5.265 0.934 -11.710 34 HG3 ARG 474 2HG ARG 474 -6.955 0.505 -11.437 35 HD2 ARG 474 1HD ARG 474 -6.709 -0.280 -13.565 36 HD3 ARG 474 2HD ARG 474 -7.200 1.376 -13.921 37 HE ARG 474 HE ARG 474 -4.444 1.406 -13.754 38 HH11 ARG 474 1HH1 ARG 474 -5.860 -0.263 -17.106 39 HH12 ARG 474 2HH1 ARG 474 -6.868 -0.158 -15.702 40 HH21 ARG 474 1HH2 ARG 474 -3.718 0.551 -17.045 41 HH22 ARG 474 2HH2 ARG 474 -3.105 1.274 -15.597 42 H LYS 475 H LYS 475 -9.334 1.830 -9.216 43 HA LYS 475 HA LYS 475 -7.799 3.274 -7.156 44 HB2 LYS 475 1HB LYS 475 -9.922 4.299 -7.153 45 HB3 LYS 475 2HB LYS 475 -10.757 2.767 -7.372 46 HG2 LYS 475 1HG LYS 475 -10.532 2.173 -5.152 47 HG3 LYS 475 2HG LYS 475 -9.159 3.251 -4.897 48 HD2 LYS 475 1HD LYS 475 -11.943 4.240 -5.483 49 HD3 LYS 475 2HD LYS 475 -11.336 3.977 -3.846 50 HE2 LYS 475 1HE LYS 475 -10.174 5.845 -5.911 51 HE3 LYS 475 2HE LYS 475 -11.101 6.312 -4.486 52 HZ1 LYS 475 1HZ LYS 475 -9.210 6.372 -3.365 53 HZ2 LYS 475 2HZ LYS 475 -8.337 5.813 -4.702 54 HZ3 LYS 475 3HZ LYS 475 -9.008 4.710 -3.609 55 H PHE 476 H PHE 476 -7.488 2.206 -5.156 56 HA PHE 476 HA PHE 476 -8.001 -0.693 -5.209 57 HB2 PHE 476 1HB PHE 476 -5.452 0.783 -4.698 58 HB3 PHE 476 2HB PHE 476 -5.748 -0.719 -3.829 59 HD1 PHE 476 1HD PHE 476 -5.128 -2.715 -4.793 60 HD2 PHE 476 2HD PHE 476 -5.795 0.671 -7.283 61 HE1 PHE 476 1HE PHE 476 -4.347 -3.999 -6.742 62 HE2 PHE 476 2HE PHE 476 -5.016 -0.607 -9.236 63 HZ PHE 476 HZ PHE 476 -4.292 -2.945 -8.967 64 H ILE 477 H ILE 477 -7.918 -1.709 -3.047 65 HA ILE 477 HA ILE 477 -8.563 0.147 -0.863 66 HB ILE 477 HB ILE 477 -10.669 -0.739 -1.901 67 HG12 ILE 477 1HG1 ILE 477 -11.397 -1.787 0.472 68 HG13 ILE 477 2HG1 ILE 477 -9.874 -1.043 0.942 69 HG21 ILE 477 1HG2 ILE 477 -11.102 -2.930 -2.143 70 HG22 ILE 477 2HG2 ILE 477 -9.352 -3.106 -2.037 71 HG23 ILE 477 3HG2 ILE 477 -10.350 -3.353 -0.605 72 HD11 ILE 477 1HD1 ILE 477 -10.740 1.084 -0.093 73 HD12 ILE 477 2HD1 ILE 477 -12.309 0.284 -0.198 74 HD13 ILE 477 3HD1 ILE 477 -11.553 0.543 1.375 75 H ALA 478 H ALA 478 -7.732 -0.400 1.076 76 HA ALA 478 HA ALA 478 -5.927 -2.654 1.186 77 HB1 ALA 478 1HB ALA 478 -6.347 -0.188 2.702 78 HB2 ALA 478 2HB ALA 478 -5.890 -1.574 3.692 79 HB3 ALA 478 3HB ALA 478 -4.860 -1.069 2.353 80 H VAL 479 H VAL 479 -6.247 -4.545 2.196 81 HA VAL 479 HA VAL 479 -8.820 -4.934 3.564 82 HB VAL 479 HB VAL 479 -8.280 -7.405 3.218 83 HG11 VAL 479 1HG1 VAL 479 -8.522 -6.326 0.510 84 HG12 VAL 479 2HG1 VAL 479 -9.636 -7.335 1.435 85 HG13 VAL 479 3HG1 VAL 479 -9.619 -5.588 1.677 86 HG21 VAL 479 1HG2 VAL 479 -5.834 -6.433 2.427 87 HG22 VAL 479 2HG2 VAL 479 -6.442 -8.060 2.125 88 HG23 VAL 479 3HG2 VAL 479 -6.623 -6.809 0.896 89 H LYS 480 H LYS 480 -5.355 -5.292 3.907 90 HA LYS 480 HA LYS 480 -5.751 -6.191 6.685 91 HB2 LYS 480 1HB LYS 480 -3.117 -6.419 5.280 92 HB3 LYS 480 2HB LYS 480 -3.768 -7.395 6.590 93 HG2 LYS 480 1HG LYS 480 -4.656 -7.466 3.714 94 HG3 LYS 480 2HG LYS 480 -3.659 -8.670 4.532 95 HD2 LYS 480 1HD LYS 480 -6.506 -7.949 5.231 96 HD3 LYS 480 2HD LYS 480 -5.982 -9.407 4.385 97 HE2 LYS 480 1HE LYS 480 -5.380 -8.608 7.227 98 HE3 LYS 480 2HE LYS 480 -6.350 -9.974 6.677 99 HZ1 LYS 480 1HZ LYS 480 -3.975 -10.403 5.467 100 HZ2 LYS 480 2HZ LYS 480 -4.471 -11.127 6.913 101 HZ3 LYS 480 3HZ LYS 480 -3.495 -9.746 6.951 102 H ALA 481 H ALA 481 -3.460 -5.602 7.882 103 HA ALA 481 HA ALA 481 -3.262 -2.673 7.634 104 HB1 ALA 481 1HB ALA 481 -4.235 -3.531 9.751 105 HB2 ALA 481 2HB ALA 481 -2.702 -4.339 10.083 106 HB3 ALA 481 3HB ALA 481 -2.768 -2.580 9.982 107 H HIS 482 H HIS 482 -1.187 -1.697 8.099 108 HA HIS 482 HA HIS 482 1.184 -3.277 8.252 109 HB2 HIS 482 1HB HIS 482 0.552 -3.588 5.855 110 HB3 HIS 482 2HB HIS 482 0.687 -1.846 5.634 111 HD1 HIS 482 1HD HIS 482 2.822 -4.853 6.469 112 HD2 HIS 482 2HD HIS 482 3.225 -0.932 5.155 113 HE1 HIS 482 1HE HIS 482 5.244 -4.600 5.841 114 H SER 483 H SER 483 3.084 -2.009 8.500 115 HA SER 483 HA SER 483 2.570 0.864 8.899 116 HB2 SER 483 1HB SER 483 4.701 -0.099 10.589 117 HB3 SER 483 2HB SER 483 3.206 0.717 11.043 118 HG SER 483 HG SER 483 3.841 -1.959 11.091 119 HA PRO 484 HA PRO 484 6.044 1.700 6.348 120 HB2 PRO 484 1HB PRO 484 6.966 3.997 7.464 121 HB3 PRO 484 2HB PRO 484 5.476 3.920 6.515 122 HG2 PRO 484 1HG PRO 484 5.829 3.923 9.488 123 HG3 PRO 484 2HG PRO 484 4.646 4.800 8.501 124 HD2 PRO 484 1HD PRO 484 4.034 2.519 9.825 125 HD3 PRO 484 2HD PRO 484 3.278 2.959 8.280 126 H GLN 485 H GLN 485 7.697 0.287 6.531 127 HA GLN 485 HA GLN 485 9.107 -0.367 8.836 128 HB2 GLN 485 1HB GLN 485 9.926 -0.499 5.933 129 HB3 GLN 485 2HB GLN 485 10.888 -1.180 7.239 130 HG2 GLN 485 1HG GLN 485 8.174 -2.023 6.286 131 HG3 GLN 485 2HG GLN 485 9.661 -2.968 6.355 132 HE21 GLN 485 1HE2 GLN 485 7.272 -2.570 9.618 133 HE22 GLN 485 2HE2 GLN 485 7.040 -1.606 8.204 134 H GLY 486 H GLY 486 9.397 2.376 6.752 135 HA2 GLY 486 1HA GLY 486 10.833 3.975 8.436 136 HA3 GLY 486 2HA GLY 486 12.065 3.089 7.549 137 H GLU 487 H GLU 487 12.118 3.303 5.223 138 HA GLU 487 HA GLU 487 10.909 5.826 4.298 139 HB2 GLU 487 1HB GLU 487 13.510 4.743 3.248 140 HB3 GLU 487 2HB GLU 487 12.866 6.372 3.106 141 HG2 GLU 487 1HG GLU 487 13.126 6.590 5.589 142 HG3 GLU 487 2HG GLU 487 13.991 5.054 5.561 143 H GLY 488 H GLY 488 10.059 5.896 2.239 144 HA2 GLY 488 1HA GLY 488 9.230 5.112 0.239 145 HA3 GLY 488 2HA GLY 488 10.420 3.821 0.320 146 H GLU 489 H GLU 489 8.082 4.381 2.858 147 HA GLU 489 HA GLU 489 6.362 2.242 1.886 148 HB2 GLU 489 1HB GLU 489 7.774 2.103 4.557 149 HB3 GLU 489 2HB GLU 489 6.508 1.006 4.020 150 HG2 GLU 489 1HG GLU 489 8.116 0.596 2.008 151 HG3 GLU 489 2HG GLU 489 9.336 1.227 3.112 152 H ILE 490 H ILE 490 4.284 2.314 2.693 153 HA ILE 490 HA ILE 490 3.690 4.519 4.556 154 HB ILE 490 HB ILE 490 1.450 4.634 3.284 155 HG12 ILE 490 1HG1 ILE 490 3.189 3.353 1.165 156 HG13 ILE 490 2HG1 ILE 490 1.812 2.588 1.950 157 HG21 ILE 490 1HG2 ILE 490 3.441 6.266 3.282 158 HG22 ILE 490 2HG2 ILE 490 3.786 5.607 1.683 159 HG23 ILE 490 3HG2 ILE 490 2.242 6.402 1.995 160 HD11 ILE 490 1HD1 ILE 490 1.885 4.369 -0.306 161 HD12 ILE 490 2HD1 ILE 490 0.563 3.374 0.303 162 HD13 ILE 490 3HD1 ILE 490 0.824 4.989 0.958 163 HA PRO 491 HA PRO 491 1.384 1.691 6.995 164 HB2 PRO 491 1HB PRO 491 -0.647 3.259 7.883 165 HB3 PRO 491 2HB PRO 491 1.017 3.423 8.459 166 HG2 PRO 491 1HG PRO 491 -0.441 5.031 6.397 167 HG3 PRO 491 2HG PRO 491 0.639 5.585 7.690 168 HD2 PRO 491 1HD PRO 491 1.452 5.335 5.118 169 HD3 PRO 491 2HD PRO 491 2.540 5.064 6.495 170 H LEU 492 H LEU 492 -0.881 0.833 7.360 171 HA LEU 492 HA LEU 492 -2.747 1.175 5.178 172 HB2 LEU 492 1HB LEU 492 -1.197 -1.363 5.594 173 HB3 LEU 492 2HB LEU 492 -2.767 -1.349 4.794 174 HG LEU 492 HG LEU 492 -0.254 0.027 3.851 175 HD11 LEU 492 1HD1 LEU 492 -0.774 -1.554 1.866 176 HD12 LEU 492 2HD1 LEU 492 -1.713 -2.457 3.054 177 HD13 LEU 492 3HD1 LEU 492 0.014 -2.202 3.304 178 HD21 LEU 492 1HD2 LEU 492 -1.571 1.406 2.717 179 HD22 LEU 492 2HD2 LEU 492 -3.019 0.578 3.292 180 HD23 LEU 492 3HD2 LEU 492 -2.197 0.010 1.838 181 H HIS 493 H HIS 493 -4.816 0.467 5.664 182 HA HIS 493 HA HIS 493 -5.266 -0.993 8.142 183 HB2 HIS 493 1HB HIS 493 -5.708 1.880 7.835 184 HB3 HIS 493 2HB HIS 493 -7.150 1.017 8.361 185 HD1 HIS 493 1HD HIS 493 -7.264 0.366 10.776 186 HD2 HIS 493 2HD HIS 493 -3.448 1.541 9.627 187 HE1 HIS 493 1HE HIS 493 -5.927 0.480 12.902 188 H ARG 494 H ARG 494 -7.125 -2.181 8.141 189 HA ARG 494 HA ARG 494 -8.320 -2.842 5.711 190 HB2 ARG 494 1HB ARG 494 -10.095 -3.924 7.183 191 HB3 ARG 494 2HB ARG 494 -8.436 -4.448 7.434 192 HG2 ARG 494 1HG ARG 494 -8.997 -2.232 9.148 193 HG3 ARG 494 2HG ARG 494 -10.250 -3.460 9.336 194 HD2 ARG 494 1HD ARG 494 -8.783 -5.031 10.128 195 HD3 ARG 494 2HD ARG 494 -7.410 -4.338 9.267 196 HE ARG 494 HE ARG 494 -6.976 -3.030 11.091 197 HH11 ARG 494 1HH1 ARG 494 -10.462 -3.690 12.945 198 HH12 ARG 494 2HH1 ARG 494 -10.216 -4.281 11.336 199 HH21 ARG 494 1HH2 ARG 494 -8.797 -2.531 14.011 200 HH22 ARG 494 2HH2 ARG 494 -7.289 -2.246 13.210 201 H GLY 495 H GLY 495 -9.709 -1.757 4.489 202 HA2 GLY 495 1HA GLY 495 -11.913 -0.791 4.246 203 HA3 GLY 495 2HA GLY 495 -11.703 -0.040 5.820 204 H GLU 496 H GLU 496 -8.798 0.449 4.682 205 HA GLU 496 HA GLU 496 -9.345 3.156 3.899 206 HB2 GLU 496 1HB GLU 496 -6.766 1.587 4.032 207 HB3 GLU 496 2HB GLU 496 -6.861 3.302 3.656 208 HG2 GLU 496 1HG GLU 496 -7.214 1.898 6.234 209 HG3 GLU 496 2HG GLU 496 -6.431 3.437 5.875 210 H ALA 497 H ALA 497 -8.567 4.145 1.925 211 HA ALA 497 HA ALA 497 -8.837 2.324 -0.368 212 HB1 ALA 497 1HB ALA 497 -10.324 4.486 0.148 213 HB2 ALA 497 2HB ALA 497 -9.029 5.245 -0.778 214 HB3 ALA 497 3HB ALA 497 -9.968 3.933 -1.489 215 H VAL 498 H VAL 498 -6.989 1.787 -1.314 216 HA VAL 498 HA VAL 498 -4.711 3.629 -1.175 217 HB VAL 498 HB VAL 498 -4.551 0.832 -2.246 218 HG11 VAL 498 1HG1 VAL 498 -2.260 0.997 -1.327 219 HG12 VAL 498 2HG1 VAL 498 -2.603 2.222 -2.550 220 HG13 VAL 498 3HG1 VAL 498 -2.606 2.656 -0.840 221 HG21 VAL 498 1HG2 VAL 498 -5.381 0.124 -0.273 222 HG22 VAL 498 2HG2 VAL 498 -3.762 0.502 0.313 223 HG23 VAL 498 3HG2 VAL 498 -5.071 1.663 0.532 224 H LYS 499 H LYS 499 -3.397 3.977 -3.069 225 HA LYS 499 HA LYS 499 -4.852 3.641 -5.607 226 HB2 LYS 499 1HB LYS 499 -4.694 6.033 -4.424 227 HB3 LYS 499 2HB LYS 499 -3.140 6.046 -5.248 228 HG2 LYS 499 1HG LYS 499 -4.397 6.984 -6.876 229 HG3 LYS 499 2HG LYS 499 -4.659 5.289 -7.293 230 HD2 LYS 499 1HD LYS 499 -6.811 6.154 -7.300 231 HD3 LYS 499 2HD LYS 499 -6.681 5.458 -5.684 232 HE2 LYS 499 1HE LYS 499 -7.678 7.611 -5.458 233 HE3 LYS 499 2HE LYS 499 -6.026 7.729 -4.855 234 HZ1 LYS 499 1HZ LYS 499 -7.256 9.183 -6.937 235 HZ2 LYS 499 2HZ LYS 499 -5.935 8.329 -7.559 236 HZ3 LYS 499 3HZ LYS 499 -5.719 9.392 -6.261 237 H VAL 500 H VAL 500 -3.638 1.999 -6.429 238 HA VAL 500 HA VAL 500 -0.817 1.825 -6.221 239 HB VAL 500 HB VAL 500 -2.692 0.494 -8.179 240 HG11 VAL 500 1HG1 VAL 500 -0.567 -1.164 -7.986 241 HG12 VAL 500 2HG1 VAL 500 -0.767 0.040 -9.261 242 HG13 VAL 500 3HG1 VAL 500 0.231 0.402 -7.851 243 HG21 VAL 500 1HG2 VAL 500 -3.098 0.002 -5.780 244 HG22 VAL 500 2HG2 VAL 500 -2.600 -1.412 -6.711 245 HG23 VAL 500 3HG2 VAL 500 -1.443 -0.596 -5.660 246 H LEU 501 H LEU 501 0.782 2.581 -7.488 247 HA LEU 501 HA LEU 501 0.041 3.942 -9.989 248 HB2 LEU 501 1HB LEU 501 1.421 4.988 -7.624 249 HB3 LEU 501 2HB LEU 501 2.233 5.329 -9.151 250 HG LEU 501 HG LEU 501 0.016 6.291 -9.942 251 HD11 LEU 501 1HD1 LEU 501 -0.611 5.670 -7.112 252 HD12 LEU 501 2HD1 LEU 501 -1.653 5.661 -8.536 253 HD13 LEU 501 3HD1 LEU 501 -1.216 7.190 -7.772 254 HD21 LEU 501 1HD2 LEU 501 0.926 8.273 -9.497 255 HD22 LEU 501 2HD2 LEU 501 2.152 7.404 -8.574 256 HD23 LEU 501 3HD2 LEU 501 0.730 8.055 -7.758 257 H SER 502 H SER 502 2.697 2.531 -8.103 258 HA SER 502 HA SER 502 3.913 1.660 -10.642 259 HB2 SER 502 1HB SER 502 5.125 3.026 -8.302 260 HB3 SER 502 2HB SER 502 6.067 1.721 -9.024 261 HG SER 502 HG SER 502 6.647 3.292 -10.324 262 H ILE 503 H ILE 503 5.343 -0.261 -10.389 263 HA ILE 503 HA ILE 503 4.405 -2.045 -8.241 264 HB ILE 503 HB ILE 503 4.871 -2.867 -11.109 265 HG12 ILE 503 1HG1 ILE 503 2.836 -1.503 -10.855 266 HG13 ILE 503 2HG1 ILE 503 2.446 -3.177 -11.232 267 HG21 ILE 503 1HG2 ILE 503 4.808 -4.350 -8.689 268 HG22 ILE 503 2HG2 ILE 503 3.366 -4.754 -9.620 269 HG23 ILE 503 3HG2 ILE 503 4.964 -4.946 -10.342 270 HD11 ILE 503 1HD1 ILE 503 2.431 -2.073 -8.440 271 HD12 ILE 503 2HD1 ILE 503 1.014 -2.096 -9.490 272 HD13 ILE 503 3HD1 ILE 503 1.777 -3.611 -9.005 273 H GLY 504 H GLY 504 5.942 -3.194 -7.213 274 HA2 GLY 504 1HA GLY 504 8.712 -2.705 -7.977 275 HA3 GLY 504 2HA GLY 504 8.156 -3.410 -6.466 276 H GLU 505 H GLU 505 8.865 -5.416 -6.242 277 HA GLU 505 HA GLU 505 9.652 -7.007 -8.495 278 HB2 GLU 505 1HB GLU 505 9.672 -7.354 -5.527 279 HB3 GLU 505 2HB GLU 505 9.849 -8.775 -6.546 280 HG2 GLU 505 1HG GLU 505 11.688 -7.325 -7.717 281 HG3 GLU 505 2HG GLU 505 11.683 -6.462 -6.180 282 H GLY 506 H GLY 506 6.797 -6.657 -6.586 283 HA2 GLY 506 1HA GLY 506 4.929 -7.745 -8.091 284 HA3 GLY 506 2HA GLY 506 5.706 -9.211 -7.508 285 H GLY 507 H GLY 507 6.306 -7.979 -4.885 286 HA2 GLY 507 1HA GLY 507 3.600 -8.269 -3.756 287 HA3 GLY 507 2HA GLY 507 5.096 -8.629 -2.906 288 H PHE 508 H PHE 508 5.932 -5.933 -4.378 289 HA PHE 508 HA PHE 508 4.742 -4.159 -2.352 290 HB2 PHE 508 1HB PHE 508 7.390 -4.964 -2.398 291 HB3 PHE 508 2HB PHE 508 7.432 -3.392 -3.190 292 HD1 PHE 508 1HD PHE 508 5.488 -4.777 -0.321 293 HD2 PHE 508 2HD PHE 508 8.148 -1.771 -1.738 294 HE1 PHE 508 1HE PHE 508 5.406 -3.674 1.876 295 HE2 PHE 508 2HE PHE 508 8.071 -0.664 0.457 296 HZ PHE 508 HZ PHE 508 6.700 -1.615 2.268 297 H TRP 509 H TRP 509 3.525 -2.711 -3.356 298 HA TRP 509 HA TRP 509 4.452 -1.649 -5.945 299 HB2 TRP 509 1HB TRP 509 1.599 -1.765 -4.950 300 HB3 TRP 509 2HB TRP 509 2.141 -1.277 -6.553 301 HD1 TRP 509 HD TRP 509 4.279 -3.912 -6.532 302 HE1 TRP 509 1HE TRP 509 3.258 -6.171 -7.227 303 HE3 TRP 509 3HE TRP 509 -0.663 -2.828 -5.802 304 HZ2 TRP 509 2HZ TRP 509 0.696 -7.337 -7.438 305 HZ3 TRP 509 3HZ TRP 509 -2.336 -4.569 -6.275 306 HH2 TRP 509 HH TRP 509 -1.668 -6.777 -7.076 307 H GLU 510 H GLU 510 4.271 0.572 -6.333 308 HA GLU 510 HA GLU 510 4.240 2.193 -3.902 309 HB2 GLU 510 1HB GLU 510 6.074 2.983 -4.942 310 HB3 GLU 510 2HB GLU 510 5.574 2.347 -6.502 311 HG2 GLU 510 1HG GLU 510 5.755 4.739 -6.618 312 HG3 GLU 510 2HG GLU 510 4.066 4.263 -6.782 313 H GLY 511 H GLY 511 2.659 3.586 -3.419 314 HA2 GLY 511 1HA GLY 511 0.986 4.758 -5.455 315 HA3 GLY 511 2HA GLY 511 0.156 3.564 -4.469 316 H THR 512 H THR 512 -1.244 5.275 -3.774 317 HA THR 512 HA THR 512 -0.083 6.791 -1.546 318 HB THR 512 HB THR 512 -1.994 7.971 -3.573 319 HG1 THR 512 1HG THR 512 -0.251 8.694 -4.520 320 HG21 THR 512 1HG2 THR 512 -2.312 8.737 -1.216 321 HG22 THR 512 2HG2 THR 512 -1.820 10.018 -2.323 322 HG23 THR 512 3HG2 THR 512 -0.642 9.301 -1.225 323 H VAL 513 H VAL 513 -1.363 6.956 0.240 324 HA VAL 513 HA VAL 513 -4.174 6.224 0.095 325 HB VAL 513 HB VAL 513 -2.741 4.110 0.453 326 HG11 VAL 513 1HG1 VAL 513 -1.726 3.721 2.478 327 HG12 VAL 513 2HG1 VAL 513 -1.412 5.445 2.276 328 HG13 VAL 513 3HG1 VAL 513 -2.720 4.903 3.328 329 HG21 VAL 513 1HG2 VAL 513 -4.920 3.626 0.811 330 HG22 VAL 513 2HG2 VAL 513 -4.397 3.542 2.494 331 HG23 VAL 513 3HG2 VAL 513 -5.165 5.008 1.881 332 H LYS 514 H LYS 514 -5.381 7.241 1.602 333 HA LYS 514 HA LYS 514 -5.923 8.791 3.181 334 HB2 LYS 514 1HB LYS 514 -3.588 7.732 4.763 335 HB3 LYS 514 2HB LYS 514 -5.104 8.388 5.368 336 HG2 LYS 514 1HG LYS 514 -4.698 5.755 3.968 337 HG3 LYS 514 2HG LYS 514 -5.109 6.013 5.665 338 HD2 LYS 514 1HD LYS 514 -6.833 6.788 3.312 339 HD3 LYS 514 2HD LYS 514 -7.063 5.357 4.320 340 HE2 LYS 514 1HE LYS 514 -7.492 6.726 6.252 341 HE3 LYS 514 2HE LYS 514 -7.090 8.190 5.353 342 HZ1 LYS 514 1HZ LYS 514 -9.576 6.953 5.590 343 HZ2 LYS 514 2HZ LYS 514 -9.101 6.796 3.974 344 HZ3 LYS 514 3HZ LYS 514 -9.181 8.328 4.687 345 H GLY 515 H GLY 515 -3.874 9.493 1.146 346 HA2 GLY 515 1HA GLY 515 -3.010 11.650 0.739 347 HA3 GLY 515 2HA GLY 515 -2.938 11.924 2.474 348 H ARG 516 H ARG 516 -1.613 9.275 2.863 349 HA ARG 516 HA ARG 516 1.079 10.218 2.625 350 HB2 ARG 516 1HB ARG 516 -0.013 7.539 3.501 351 HB3 ARG 516 2HB ARG 516 1.672 8.024 3.631 352 HG2 ARG 516 1HG ARG 516 1.122 8.674 5.691 353 HG3 ARG 516 2HG ARG 516 0.406 10.078 4.896 354 HD2 ARG 516 1HD ARG 516 -1.742 8.835 4.765 355 HD3 ARG 516 2HD ARG 516 -1.000 7.534 5.696 356 HE ARG 516 HE ARG 516 -2.001 10.011 6.705 357 HH11 ARG 516 1HH1 ARG 516 0.507 7.810 8.916 358 HH12 ARG 516 2HH1 ARG 516 0.374 7.518 7.214 359 HH21 ARG 516 1HH2 ARG 516 -0.752 9.452 9.900 360 HH22 ARG 516 2HH2 ARG 516 -1.836 10.406 8.945 361 H THR 517 H THR 517 2.740 9.425 1.353 362 HA THR 517 HA THR 517 1.903 7.733 -0.913 363 HB THR 517 HB THR 517 4.011 9.901 -0.957 364 HG1 THR 517 1HG THR 517 1.309 9.836 -1.839 365 HG21 THR 517 1HG2 THR 517 2.960 7.981 -3.014 366 HG22 THR 517 2HG2 THR 517 4.633 8.346 -2.590 367 HG23 THR 517 3HG2 THR 517 3.673 9.524 -3.485 368 H GLY 518 H GLY 518 3.332 6.164 -1.662 369 HA2 GLY 518 1HA GLY 518 5.914 5.658 -1.270 370 HA3 GLY 518 2HA GLY 518 5.273 5.277 0.322 371 H TRP 519 H TRP 519 6.304 3.165 -0.371 372 HA TRP 519 HA TRP 519 4.644 1.601 -2.191 373 HB2 TRP 519 1HB TRP 519 7.162 0.807 -0.711 374 HB3 TRP 519 2HB TRP 519 6.360 -0.125 -1.974 375 HD1 TRP 519 HD TRP 519 8.103 3.321 -1.586 376 HE1 TRP 519 1HE TRP 519 9.257 3.877 -3.818 377 HE3 TRP 519 3HE TRP 519 6.555 -0.707 -4.325 378 HZ2 TRP 519 2HZ TRP 519 9.481 2.756 -6.398 379 HZ3 TRP 519 3HZ TRP 519 7.282 -0.890 -6.669 380 HH2 TRP 519 HH TRP 519 8.716 0.808 -7.683 381 H PHE 520 H PHE 520 3.749 -0.443 -1.570 382 HA PHE 520 HA PHE 520 3.534 -1.031 1.265 383 HB2 PHE 520 1HB PHE 520 1.017 -1.105 1.117 384 HB3 PHE 520 2HB PHE 520 1.717 0.510 1.078 385 HD1 PHE 520 1HD PHE 520 0.185 -2.138 -0.981 386 HD2 PHE 520 2HD PHE 520 1.420 1.931 -0.786 387 HE1 PHE 520 1HE PHE 520 -1.016 -1.676 -3.079 388 HE2 PHE 520 2HE PHE 520 0.220 2.399 -2.882 389 HZ PHE 520 HZ PHE 520 -1.001 0.595 -4.031 390 HA PRO 521 HA PRO 521 3.319 -5.187 -0.124 391 HB2 PRO 521 1HB PRO 521 1.771 -6.332 1.791 392 HB3 PRO 521 2HB PRO 521 3.436 -5.817 2.084 393 HG2 PRO 521 1HG PRO 521 0.874 -4.419 2.754 394 HG3 PRO 521 2HG PRO 521 2.339 -4.603 3.737 395 HD2 PRO 521 1HD PRO 521 1.773 -2.331 2.377 396 HD3 PRO 521 2HD PRO 521 3.435 -2.891 2.649 397 H ALA 522 H ALA 522 2.231 -5.627 -1.946 398 HA ALA 522 HA ALA 522 -0.395 -4.928 -2.543 399 HB1 ALA 522 1HB ALA 522 1.270 -5.559 -4.230 400 HB2 ALA 522 2HB ALA 522 1.183 -7.234 -3.681 401 HB3 ALA 522 3HB ALA 522 -0.229 -6.471 -4.414 402 H ASP 523 H ASP 523 0.826 -7.533 -0.647 403 HA ASP 523 HA ASP 523 -1.376 -9.306 -0.886 404 HB2 ASP 523 1HB ASP 523 0.883 -9.945 -0.027 405 HB3 ASP 523 2HB ASP 523 0.537 -9.035 1.441 406 H CYS 524 H CYS 524 -1.147 -6.275 0.493 407 HA CYS 524 HA CYS 524 -3.393 -6.825 2.319 408 HB2 CYS 524 1HB CYS 524 -1.464 -4.502 2.470 409 HB3 CYS 524 2HB CYS 524 -2.700 -4.930 3.647 410 HG CYS 524 HG CYS 524 -0.211 -7.142 2.959 411 H VAL 525 H VAL 525 -2.996 -5.910 -0.668 412 HA VAL 525 HA VAL 525 -5.108 -3.866 -0.535 413 HB VAL 525 HB VAL 525 -4.139 -2.544 -2.229 414 HG11 VAL 525 1HG1 VAL 525 -1.577 -3.121 -0.900 415 HG12 VAL 525 2HG1 VAL 525 -2.477 -1.609 -1.028 416 HG13 VAL 525 3HG1 VAL 525 -2.939 -2.812 0.176 417 HG21 VAL 525 1HG2 VAL 525 -3.207 -3.696 -3.913 418 HG22 VAL 525 2HG2 VAL 525 -1.712 -3.526 -2.994 419 HG23 VAL 525 3HG2 VAL 525 -2.671 -5.000 -2.854 420 H GLU 526 H GLU 526 -6.549 -3.821 -2.315 421 HA GLU 526 HA GLU 526 -6.334 -5.914 -4.321 422 HB2 GLU 526 1HB GLU 526 -8.226 -5.989 -2.049 423 HB3 GLU 526 2HB GLU 526 -8.911 -6.344 -3.629 424 HG2 GLU 526 1HG GLU 526 -6.457 -7.729 -2.605 425 HG3 GLU 526 2HG GLU 526 -8.085 -8.305 -2.250 426 H GLU 527 H GLU 527 -7.295 -5.374 -6.213 427 HA GLU 527 HA GLU 527 -7.957 -2.744 -6.774 428 HB2 GLU 527 1HB GLU 527 -8.923 -5.188 -8.270 429 HB3 GLU 527 2HB GLU 527 -8.812 -3.553 -8.906 430 HG2 GLU 527 1HG GLU 527 -6.580 -3.674 -9.222 431 HG3 GLU 527 2HG GLU 527 -6.325 -4.710 -7.819 432 H VAL 528 H VAL 528 -9.952 -1.721 -7.285 433 HA VAL 528 HA VAL 528 -11.942 -1.893 -5.404 434 HB VAL 528 HB VAL 528 -13.408 -0.682 -7.011 435 HG11 VAL 528 1HG1 VAL 528 -11.043 0.155 -5.813 436 HG12 VAL 528 2HG1 VAL 528 -10.970 0.807 -7.451 437 HG13 VAL 528 3HG1 VAL 528 -12.346 1.180 -6.413 438 HG21 VAL 528 1HG2 VAL 528 -11.655 -0.083 -9.090 439 HG22 VAL 528 2HG2 VAL 528 -11.554 -1.833 -8.903 440 HG23 VAL 528 3HG2 VAL 528 -13.115 -1.065 -9.186 441 H GLN 529 H GLN 529 -11.535 -3.797 -8.290 442 HA GLN 529 HA GLN 529 -14.204 -4.871 -8.265 443 HB2 GLN 529 1HB GLN 529 -11.725 -5.766 -9.746 444 HB3 GLN 529 2HB GLN 529 -13.342 -6.403 -10.010 445 HG2 GLN 529 1HG GLN 529 -12.691 -3.492 -10.328 446 HG3 GLN 529 2HG GLN 529 -12.512 -4.655 -11.640 447 HE21 GLN 529 1HE2 GLN 529 -16.145 -3.250 -10.567 448 HE22 GLN 529 2HE2 GLN 529 -14.704 -2.838 -9.706 449 H MET 530 H MET 530 -14.932 -6.621 -7.224 450 HA MET 530 HA MET 530 -13.284 -7.891 -5.266 451 HB2 MET 530 1HB MET 530 -15.855 -7.413 -5.247 452 HB3 MET 530 2HB MET 530 -15.962 -8.955 -6.088 453 HG2 MET 530 1HG MET 530 -14.636 -9.945 -4.186 454 HG3 MET 530 2HG MET 530 -14.886 -8.421 -3.337 455 HE1 MET 530 1HE MET 530 -17.319 -11.743 -2.417 456 HE2 MET 530 2HE MET 530 -15.756 -11.739 -3.232 457 HE3 MET 530 3HE MET 530 -15.954 -10.887 -1.700 Start of MODEL 17 1 H1 MET 470 H MET 470 -17.189 10.109 -6.255 2 HA MET 470 HA MET 470 -14.478 9.976 -6.547 3 HB2 MET 470 1HB MET 470 -16.674 8.011 -6.995 4 HB3 MET 470 2HB MET 470 -15.051 7.569 -7.509 5 HG2 MET 470 1HG MET 470 -14.207 7.767 -5.303 6 HG3 MET 470 2HG MET 470 -15.694 8.519 -4.734 7 HE1 MET 470 1HE MET 470 -16.700 7.584 -3.225 8 HE2 MET 470 2HE MET 470 -17.700 6.140 -3.382 9 HE3 MET 470 3HE MET 470 -16.119 6.037 -2.605 10 H VAL 471 H VAL 471 -13.018 9.743 -8.196 11 HA VAL 471 HA VAL 471 -13.958 10.533 -10.840 12 HB VAL 471 HB VAL 471 -12.056 11.751 -9.939 13 HG11 VAL 471 1HG1 VAL 471 -11.249 9.236 -9.004 14 HG12 VAL 471 2HG1 VAL 471 -10.020 9.741 -10.165 15 HG13 VAL 471 3HG1 VAL 471 -10.420 10.778 -8.795 16 HG21 VAL 471 1HG2 VAL 471 -11.375 9.958 -12.264 17 HG22 VAL 471 2HG2 VAL 471 -12.136 11.548 -12.329 18 HG23 VAL 471 3HG2 VAL 471 -10.456 11.394 -11.815 19 HA PRO 472 HA PRO 472 -13.782 6.393 -12.387 20 HB2 PRO 472 1HB PRO 472 -13.907 7.004 -15.029 21 HB3 PRO 472 2HB PRO 472 -15.308 7.089 -13.957 22 HG2 PRO 472 1HG PRO 472 -13.520 9.290 -14.912 23 HG3 PRO 472 2HG PRO 472 -15.287 9.268 -14.768 24 HD2 PRO 472 1HD PRO 472 -13.690 10.454 -12.931 25 HD3 PRO 472 2HD PRO 472 -15.231 9.687 -12.502 26 H GLY 473 H GLY 473 -11.929 5.279 -12.326 27 HA2 GLY 473 1HA GLY 473 -10.024 5.351 -14.374 28 HA3 GLY 473 2HA GLY 473 -9.404 6.312 -13.039 29 H ARG 474 H ARG 474 -8.138 5.250 -11.682 30 HA ARG 474 HA ARG 474 -8.614 2.369 -11.287 31 HB2 ARG 474 1HB ARG 474 -6.426 3.396 -12.527 32 HB3 ARG 474 2HB ARG 474 -5.870 3.366 -10.859 33 HG2 ARG 474 1HG ARG 474 -5.320 1.246 -11.202 34 HG3 ARG 474 2HG ARG 474 -7.049 0.888 -11.214 35 HD2 ARG 474 1HD ARG 474 -7.118 0.644 -13.464 36 HD3 ARG 474 2HD ARG 474 -5.908 1.895 -13.743 37 HE ARG 474 HE ARG 474 -5.451 -0.899 -13.585 38 HH11 ARG 474 1HH1 ARG 474 -2.413 1.595 -12.832 39 HH12 ARG 474 2HH1 ARG 474 -4.044 2.177 -12.767 40 HH21 ARG 474 1HH2 ARG 474 -1.996 -0.597 -13.348 41 HH22 ARG 474 2HH2 ARG 474 -3.309 -1.677 -13.674 42 H LYS 475 H LYS 475 -9.105 1.851 -9.269 43 HA LYS 475 HA LYS 475 -7.989 3.457 -7.073 44 HB2 LYS 475 1HB LYS 475 -10.195 4.281 -7.202 45 HB3 LYS 475 2HB LYS 475 -10.863 2.686 -7.523 46 HG2 LYS 475 1HG LYS 475 -10.776 2.054 -5.315 47 HG3 LYS 475 2HG LYS 475 -9.490 3.199 -4.928 48 HD2 LYS 475 1HD LYS 475 -11.550 3.952 -3.926 49 HD3 LYS 475 2HD LYS 475 -11.108 5.051 -5.234 50 HE2 LYS 475 1HE LYS 475 -13.429 4.665 -5.455 51 HE3 LYS 475 2HE LYS 475 -12.652 3.707 -6.714 52 HZ1 LYS 475 1HZ LYS 475 -14.168 2.845 -4.409 53 HZ2 LYS 475 2HZ LYS 475 -12.754 1.962 -4.685 54 HZ3 LYS 475 3HZ LYS 475 -13.927 2.076 -5.896 55 H PHE 476 H PHE 476 -7.663 2.349 -5.115 56 HA PHE 476 HA PHE 476 -8.021 -0.566 -5.213 57 HB2 PHE 476 1HB PHE 476 -5.509 0.976 -4.905 58 HB3 PHE 476 2HB PHE 476 -5.708 -0.408 -3.836 59 HD1 PHE 476 1HD PHE 476 -5.465 -2.613 -4.632 60 HD2 PHE 476 2HD PHE 476 -5.580 0.643 -7.372 61 HE1 PHE 476 1HE PHE 476 -4.741 -4.115 -6.442 62 HE2 PHE 476 2HE PHE 476 -4.857 -0.854 -9.185 63 HZ PHE 476 HZ PHE 476 -4.438 -3.236 -8.722 64 H ILE 477 H ILE 477 -7.965 -1.605 -3.102 65 HA ILE 477 HA ILE 477 -8.504 0.203 -0.852 66 HB ILE 477 HB ILE 477 -10.657 -0.595 -1.864 67 HG12 ILE 477 1HG1 ILE 477 -11.305 -1.724 0.526 68 HG13 ILE 477 2HG1 ILE 477 -9.797 -0.916 0.941 69 HG21 ILE 477 1HG2 ILE 477 -11.197 -2.778 -2.089 70 HG22 ILE 477 2HG2 ILE 477 -9.446 -2.974 -2.151 71 HG23 ILE 477 3HG2 ILE 477 -10.312 -3.256 -0.641 72 HD11 ILE 477 1HD1 ILE 477 -11.050 1.055 -0.397 73 HD12 ILE 477 2HD1 ILE 477 -12.430 0.205 0.299 74 HD13 ILE 477 3HD1 ILE 477 -11.152 0.819 1.347 75 H ALA 478 H ALA 478 -7.648 -0.424 1.052 76 HA ALA 478 HA ALA 478 -5.907 -2.730 1.055 77 HB1 ALA 478 1HB ALA 478 -4.850 -1.783 2.840 78 HB2 ALA 478 2HB ALA 478 -5.567 -0.337 2.125 79 HB3 ALA 478 3HB ALA 478 -6.338 -1.112 3.508 80 H VAL 479 H VAL 479 -6.171 -4.601 2.163 81 HA VAL 479 HA VAL 479 -8.773 -4.993 3.477 82 HB VAL 479 HB VAL 479 -8.125 -7.481 3.190 83 HG11 VAL 479 1HG1 VAL 479 -9.783 -7.284 1.726 84 HG12 VAL 479 2HG1 VAL 479 -9.401 -5.581 1.471 85 HG13 VAL 479 3HG1 VAL 479 -8.607 -6.819 0.497 86 HG21 VAL 479 1HG2 VAL 479 -6.456 -8.079 1.745 87 HG22 VAL 479 2HG2 VAL 479 -6.528 -6.558 0.854 88 HG23 VAL 479 3HG2 VAL 479 -5.747 -6.618 2.435 89 H LYS 480 H LYS 480 -5.307 -5.413 3.865 90 HA LYS 480 HA LYS 480 -5.751 -6.230 6.660 91 HB2 LYS 480 1HB LYS 480 -3.110 -6.521 5.276 92 HB3 LYS 480 2HB LYS 480 -3.768 -7.446 6.619 93 HG2 LYS 480 1HG LYS 480 -4.613 -7.616 3.734 94 HG3 LYS 480 2HG LYS 480 -3.693 -8.817 4.643 95 HD2 LYS 480 1HD LYS 480 -6.483 -7.930 5.364 96 HD3 LYS 480 2HD LYS 480 -6.124 -9.348 4.378 97 HE2 LYS 480 1HE LYS 480 -4.679 -9.165 6.941 98 HE3 LYS 480 2HE LYS 480 -6.421 -9.409 7.059 99 HZ1 LYS 480 1HZ LYS 480 -4.856 -11.440 6.892 100 HZ2 LYS 480 2HZ LYS 480 -4.833 -11.088 5.238 101 HZ3 LYS 480 3HZ LYS 480 -6.298 -11.436 6.009 102 H ALA 481 H ALA 481 -3.477 -5.643 7.882 103 HA ALA 481 HA ALA 481 -3.267 -2.720 7.608 104 HB1 ALA 481 1HB ALA 481 -2.421 -4.183 10.070 105 HB2 ALA 481 2HB ALA 481 -3.012 -2.531 9.893 106 HB3 ALA 481 3HB ALA 481 -4.133 -3.887 9.769 107 H HIS 482 H HIS 482 -1.166 -1.758 8.163 108 HA HIS 482 HA HIS 482 1.204 -3.317 8.224 109 HB2 HIS 482 1HB HIS 482 0.546 -3.633 5.838 110 HB3 HIS 482 2HB HIS 482 0.657 -1.889 5.614 111 HD1 HIS 482 1HD HIS 482 2.817 -4.898 6.319 112 HD2 HIS 482 2HD HIS 482 3.200 -0.917 5.196 113 HE1 HIS 482 1HE HIS 482 5.232 -4.610 5.679 114 H SER 483 H SER 483 3.104 -2.041 8.439 115 HA SER 483 HA SER 483 2.581 0.829 8.861 116 HB2 SER 483 1HB SER 483 4.755 -0.135 10.496 117 HB3 SER 483 2HB SER 483 3.270 0.676 10.988 118 HG SER 483 HG SER 483 3.848 -1.731 11.555 119 HA PRO 484 HA PRO 484 6.005 1.725 6.268 120 HB2 PRO 484 1HB PRO 484 6.988 3.972 7.433 121 HB3 PRO 484 2HB PRO 484 5.472 3.945 6.526 122 HG2 PRO 484 1HG PRO 484 5.910 3.842 9.485 123 HG3 PRO 484 2HG PRO 484 4.710 4.766 8.564 124 HD2 PRO 484 1HD PRO 484 4.108 2.449 9.827 125 HD3 PRO 484 2HD PRO 484 3.312 2.950 8.322 126 H GLN 485 H GLN 485 7.648 0.293 6.350 127 HA GLN 485 HA GLN 485 9.101 -0.531 8.543 128 HB2 GLN 485 1HB GLN 485 10.046 -0.299 5.681 129 HB3 GLN 485 2HB GLN 485 10.843 -1.242 6.934 130 HG2 GLN 485 1HG GLN 485 8.190 -1.727 5.630 131 HG3 GLN 485 2HG GLN 485 9.597 -2.785 5.702 132 HE21 GLN 485 1HE2 GLN 485 6.831 -2.770 8.650 133 HE22 GLN 485 2HE2 GLN 485 6.768 -1.671 7.320 134 H GLY 486 H GLY 486 9.473 2.358 6.620 135 HA2 GLY 486 1HA GLY 486 10.786 3.872 8.481 136 HA3 GLY 486 2HA GLY 486 12.075 3.028 7.635 137 H GLU 487 H GLU 487 12.149 3.283 5.266 138 HA GLU 487 HA GLU 487 11.020 5.860 4.398 139 HB2 GLU 487 1HB GLU 487 13.186 6.059 3.024 140 HB3 GLU 487 2HB GLU 487 13.268 6.402 4.746 141 HG2 GLU 487 1HG GLU 487 14.539 4.583 5.194 142 HG3 GLU 487 2HG GLU 487 13.822 3.623 3.902 143 H GLY 488 H GLY 488 9.768 5.655 2.670 144 HA2 GLY 488 1HA GLY 488 9.364 5.062 0.412 145 HA3 GLY 488 2HA GLY 488 10.504 3.735 0.584 146 H GLU 489 H GLU 489 8.139 4.210 3.059 147 HA GLU 489 HA GLU 489 6.335 2.235 1.890 148 HB2 GLU 489 1HB GLU 489 7.592 1.870 4.616 149 HB3 GLU 489 2HB GLU 489 6.381 0.825 3.885 150 HG2 GLU 489 1HG GLU 489 8.213 -0.386 3.374 151 HG3 GLU 489 2HG GLU 489 8.220 0.686 1.974 152 H ILE 490 H ILE 490 4.238 2.381 2.606 153 HA ILE 490 HA ILE 490 3.683 4.542 4.534 154 HB ILE 490 HB ILE 490 1.426 4.651 3.278 155 HG12 ILE 490 1HG1 ILE 490 3.165 3.398 1.140 156 HG13 ILE 490 2HG1 ILE 490 1.807 2.609 1.935 157 HG21 ILE 490 1HG2 ILE 490 2.206 6.435 2.012 158 HG22 ILE 490 2HG2 ILE 490 3.426 6.282 3.275 159 HG23 ILE 490 3HG2 ILE 490 3.742 5.644 1.662 160 HD11 ILE 490 1HD1 ILE 490 1.827 4.373 -0.324 161 HD12 ILE 490 2HD1 ILE 490 0.511 3.396 0.329 162 HD13 ILE 490 3HD1 ILE 490 0.799 5.019 0.955 163 HA PRO 491 HA PRO 491 1.378 1.746 7.010 164 HB2 PRO 491 1HB PRO 491 -0.634 3.334 7.907 165 HB3 PRO 491 2HB PRO 491 1.036 3.488 8.467 166 HG2 PRO 491 1HG PRO 491 -0.429 5.094 6.408 167 HG3 PRO 491 2HG PRO 491 0.667 5.649 7.687 168 HD2 PRO 491 1HD PRO 491 1.454 5.377 5.111 169 HD3 PRO 491 2HD PRO 491 2.554 5.108 6.479 170 H LEU 492 H LEU 492 -0.832 0.829 7.364 171 HA LEU 492 HA LEU 492 -2.716 1.184 5.180 172 HB2 LEU 492 1HB LEU 492 -1.229 -1.375 5.704 173 HB3 LEU 492 2HB LEU 492 -2.779 -1.342 4.866 174 HG LEU 492 HG LEU 492 -0.214 -0.048 3.944 175 HD11 LEU 492 1HD1 LEU 492 0.060 -2.281 3.462 176 HD12 LEU 492 2HD1 LEU 492 -0.736 -1.701 2.000 177 HD13 LEU 492 3HD1 LEU 492 -1.666 -2.556 3.231 178 HD21 LEU 492 1HD2 LEU 492 -2.128 -0.133 1.890 179 HD22 LEU 492 2HD2 LEU 492 -1.470 1.291 2.696 180 HD23 LEU 492 3HD2 LEU 492 -2.946 0.537 3.302 181 H HIS 493 H HIS 493 -4.800 0.513 5.667 182 HA HIS 493 HA HIS 493 -5.294 -0.846 8.193 183 HB2 HIS 493 1HB HIS 493 -5.776 2.024 7.728 184 HB3 HIS 493 2HB HIS 493 -7.144 1.148 8.408 185 HD1 HIS 493 1HD HIS 493 -7.114 0.839 10.870 186 HD2 HIS 493 2HD HIS 493 -3.338 1.688 9.361 187 HE1 HIS 493 1HE HIS 493 -5.626 1.086 12.883 188 H ARG 494 H ARG 494 -6.977 -2.195 8.048 189 HA ARG 494 HA ARG 494 -8.214 -2.849 5.686 190 HB2 ARG 494 1HB ARG 494 -10.041 -3.843 7.204 191 HB3 ARG 494 2HB ARG 494 -8.394 -4.430 7.399 192 HG2 ARG 494 1HG ARG 494 -8.923 -2.159 9.108 193 HG3 ARG 494 2HG ARG 494 -10.067 -3.475 9.386 194 HD2 ARG 494 1HD ARG 494 -8.440 -4.921 10.100 195 HD3 ARG 494 2HD ARG 494 -7.179 -4.142 9.146 196 HE ARG 494 HE ARG 494 -6.713 -2.811 10.940 197 HH11 ARG 494 1HH1 ARG 494 -10.094 -3.546 12.953 198 HH12 ARG 494 2HH1 ARG 494 -9.891 -4.170 11.350 199 HH21 ARG 494 1HH2 ARG 494 -8.431 -2.300 13.919 200 HH22 ARG 494 2HH2 ARG 494 -6.968 -1.982 13.050 201 H GLY 495 H GLY 495 -9.556 -1.766 4.410 202 HA2 GLY 495 1HA GLY 495 -11.698 -0.776 4.017 203 HA3 GLY 495 2HA GLY 495 -11.652 -0.115 5.644 204 H GLU 496 H GLU 496 -8.644 0.319 4.390 205 HA GLU 496 HA GLU 496 -9.109 3.135 3.980 206 HB2 GLU 496 1HB GLU 496 -6.699 1.376 4.148 207 HB3 GLU 496 2HB GLU 496 -6.540 2.966 3.416 208 HG2 GLU 496 1HG GLU 496 -7.706 3.795 5.579 209 HG3 GLU 496 2HG GLU 496 -7.197 2.239 6.234 210 H ALA 497 H ALA 497 -8.460 4.308 2.088 211 HA ALA 497 HA ALA 497 -8.946 2.781 -0.365 212 HB1 ALA 497 1HB ALA 497 -8.981 5.360 -1.171 213 HB2 ALA 497 2HB ALA 497 -10.397 4.488 -0.581 214 HB3 ALA 497 3HB ALA 497 -9.489 5.537 0.508 215 H VAL 498 H VAL 498 -7.085 1.999 -1.164 216 HA VAL 498 HA VAL 498 -4.695 3.690 -1.158 217 HB VAL 498 HB VAL 498 -4.705 0.882 -2.190 218 HG11 VAL 498 1HG1 VAL 498 -2.435 0.876 -1.392 219 HG12 VAL 498 2HG1 VAL 498 -2.698 2.335 -2.351 220 HG13 VAL 498 3HG1 VAL 498 -2.670 2.429 -0.590 221 HG21 VAL 498 1HG2 VAL 498 -4.719 1.675 0.720 222 HG22 VAL 498 2HG2 VAL 498 -5.916 0.684 -0.114 223 HG23 VAL 498 3HG2 VAL 498 -4.276 0.079 0.117 224 H LYS 499 H LYS 499 -3.444 3.976 -3.077 225 HA LYS 499 HA LYS 499 -4.923 3.570 -5.588 226 HB2 LYS 499 1HB LYS 499 -4.713 6.013 -4.435 227 HB3 LYS 499 2HB LYS 499 -3.248 6.000 -5.406 228 HG2 LYS 499 1HG LYS 499 -4.781 6.950 -6.836 229 HG3 LYS 499 2HG LYS 499 -4.817 5.254 -7.325 230 HD2 LYS 499 1HD LYS 499 -7.062 5.659 -7.162 231 HD3 LYS 499 2HD LYS 499 -6.734 5.142 -5.507 232 HE2 LYS 499 1HE LYS 499 -8.077 7.119 -5.419 233 HE3 LYS 499 2HE LYS 499 -6.449 7.538 -4.888 234 HZ1 LYS 499 1HZ LYS 499 -6.638 7.899 -7.670 235 HZ2 LYS 499 2HZ LYS 499 -6.337 9.056 -6.474 236 HZ3 LYS 499 3HZ LYS 499 -7.928 8.707 -6.933 237 H VAL 500 H VAL 500 -3.693 1.934 -6.385 238 HA VAL 500 HA VAL 500 -0.871 1.793 -6.180 239 HB VAL 500 HB VAL 500 -2.722 0.413 -8.129 240 HG11 VAL 500 1HG1 VAL 500 -0.763 -0.022 -9.167 241 HG12 VAL 500 2HG1 VAL 500 0.199 0.313 -7.726 242 HG13 VAL 500 3HG1 VAL 500 -0.617 -1.241 -7.901 243 HG21 VAL 500 1HG2 VAL 500 -2.751 -1.419 -6.629 244 HG22 VAL 500 2HG2 VAL 500 -1.482 -0.713 -5.628 245 HG23 VAL 500 3HG2 VAL 500 -3.087 0.016 -5.661 246 H LEU 501 H LEU 501 0.721 2.535 -7.464 247 HA LEU 501 HA LEU 501 -0.036 3.857 -9.983 248 HB2 LEU 501 1HB LEU 501 1.203 4.989 -7.625 249 HB3 LEU 501 2HB LEU 501 2.221 5.191 -9.050 250 HG LEU 501 HG LEU 501 0.409 6.352 -10.196 251 HD11 LEU 501 1HD1 LEU 501 -1.129 5.376 -7.888 252 HD12 LEU 501 2HD1 LEU 501 -1.647 5.724 -9.538 253 HD13 LEU 501 3HD1 LEU 501 -1.465 7.038 -8.375 254 HD21 LEU 501 1HD2 LEU 501 0.871 8.337 -9.228 255 HD22 LEU 501 2HD2 LEU 501 2.010 7.370 -8.290 256 HD23 LEU 501 3HD2 LEU 501 0.433 7.777 -7.613 257 H SER 502 H SER 502 2.678 2.551 -8.090 258 HA SER 502 HA SER 502 3.882 1.644 -10.624 259 HB2 SER 502 1HB SER 502 5.075 3.014 -8.280 260 HB3 SER 502 2HB SER 502 6.023 1.702 -8.981 261 HG SER 502 HG SER 502 6.513 3.676 -9.984 262 H ILE 503 H ILE 503 5.313 -0.277 -10.366 263 HA ILE 503 HA ILE 503 4.365 -2.067 -8.228 264 HB ILE 503 HB ILE 503 4.837 -2.872 -11.101 265 HG12 ILE 503 1HG1 ILE 503 2.790 -1.529 -10.833 266 HG13 ILE 503 2HG1 ILE 503 2.414 -3.206 -11.216 267 HG21 ILE 503 1HG2 ILE 503 4.935 -4.960 -10.363 268 HG22 ILE 503 2HG2 ILE 503 4.820 -4.377 -8.703 269 HG23 ILE 503 3HG2 ILE 503 3.355 -4.778 -9.599 270 HD11 ILE 503 1HD1 ILE 503 1.769 -3.655 -8.978 271 HD12 ILE 503 2HD1 ILE 503 2.393 -2.100 -8.424 272 HD13 ILE 503 3HD1 ILE 503 0.974 -2.158 -9.468 273 H GLY 504 H GLY 504 5.902 -3.183 -7.176 274 HA2 GLY 504 1HA GLY 504 8.673 -2.700 -7.927 275 HA3 GLY 504 2HA GLY 504 8.109 -3.414 -6.424 276 H GLU 505 H GLU 505 8.866 -5.405 -6.214 277 HA GLU 505 HA GLU 505 9.651 -6.986 -8.471 278 HB2 GLU 505 1HB GLU 505 9.685 -7.331 -5.506 279 HB3 GLU 505 2HB GLU 505 9.849 -8.759 -6.518 280 HG2 GLU 505 1HG GLU 505 11.681 -7.301 -7.710 281 HG3 GLU 505 2HG GLU 505 11.700 -6.464 -6.158 282 H GLY 506 H GLY 506 6.788 -6.651 -6.580 283 HA2 GLY 506 1HA GLY 506 4.932 -7.752 -8.084 284 HA3 GLY 506 2HA GLY 506 5.716 -9.214 -7.502 285 H GLY 507 H GLY 507 6.299 -7.914 -4.880 286 HA2 GLY 507 1HA GLY 507 3.595 -8.248 -3.755 287 HA3 GLY 507 2HA GLY 507 5.091 -8.597 -2.901 288 H PHE 508 H PHE 508 5.980 -5.920 -4.320 289 HA PHE 508 HA PHE 508 4.757 -4.144 -2.314 290 HB2 PHE 508 1HB PHE 508 7.407 -4.937 -2.363 291 HB3 PHE 508 2HB PHE 508 7.443 -3.367 -3.161 292 HD1 PHE 508 1HD PHE 508 8.169 -1.750 -1.710 293 HD2 PHE 508 2HD PHE 508 5.497 -4.742 -0.288 294 HE1 PHE 508 1HE PHE 508 8.095 -0.637 0.483 295 HE2 PHE 508 2HE PHE 508 5.417 -3.633 1.907 296 HZ PHE 508 HZ PHE 508 6.716 -1.576 2.294 297 H TRP 509 H TRP 509 3.509 -2.729 -3.334 298 HA TRP 509 HA TRP 509 4.430 -1.652 -5.918 299 HB2 TRP 509 1HB TRP 509 1.582 -1.787 -4.907 300 HB3 TRP 509 2HB TRP 509 2.112 -1.286 -6.510 301 HD1 TRP 509 HD TRP 509 4.273 -3.934 -6.436 302 HE1 TRP 509 1HE TRP 509 3.261 -6.184 -7.170 303 HE3 TRP 509 3HE TRP 509 -0.684 -2.821 -5.867 304 HZ2 TRP 509 2HZ TRP 509 0.701 -7.335 -7.469 305 HZ3 TRP 509 3HZ TRP 509 -2.350 -4.551 -6.399 306 HH2 TRP 509 HH TRP 509 -1.670 -6.760 -7.184 307 H GLU 510 H GLU 510 4.194 0.572 -6.317 308 HA GLU 510 HA GLU 510 4.175 2.194 -3.882 309 HB2 GLU 510 1HB GLU 510 6.007 2.993 -4.917 310 HB3 GLU 510 2HB GLU 510 5.517 2.347 -6.478 311 HG2 GLU 510 1HG GLU 510 5.684 4.741 -6.602 312 HG3 GLU 510 2HG GLU 510 3.999 4.255 -6.772 313 H GLY 511 H GLY 511 2.581 3.573 -3.403 314 HA2 GLY 511 1HA GLY 511 0.911 4.738 -5.445 315 HA3 GLY 511 2HA GLY 511 0.083 3.541 -4.461 316 H THR 512 H THR 512 -1.321 5.284 -3.806 317 HA THR 512 HA THR 512 -0.166 6.811 -1.577 318 HB THR 512 HB THR 512 -2.137 7.945 -3.572 319 HG1 THR 512 1HG THR 512 -0.027 7.868 -4.428 320 HG21 THR 512 1HG2 THR 512 -0.710 9.338 -1.307 321 HG22 THR 512 2HG2 THR 512 -2.361 8.726 -1.198 322 HG23 THR 512 3HG2 THR 512 -1.966 9.998 -2.354 323 H VAL 513 H VAL 513 -1.428 6.965 0.222 324 HA VAL 513 HA VAL 513 -4.226 6.176 0.114 325 HB VAL 513 HB VAL 513 -2.797 4.087 0.470 326 HG11 VAL 513 1HG1 VAL 513 -2.611 4.883 3.329 327 HG12 VAL 513 2HG1 VAL 513 -1.620 3.755 2.401 328 HG13 VAL 513 3HG1 VAL 513 -1.392 5.493 2.210 329 HG21 VAL 513 1HG2 VAL 513 -4.967 3.638 0.958 330 HG22 VAL 513 2HG2 VAL 513 -4.321 3.523 2.595 331 HG23 VAL 513 3HG2 VAL 513 -5.117 5.005 2.063 332 H LYS 514 H LYS 514 -5.436 7.219 1.591 333 HA LYS 514 HA LYS 514 -5.994 8.787 3.148 334 HB2 LYS 514 1HB LYS 514 -3.668 7.652 4.707 335 HB3 LYS 514 2HB LYS 514 -5.088 8.464 5.353 336 HG2 LYS 514 1HG LYS 514 -5.048 5.794 3.961 337 HG3 LYS 514 2HG LYS 514 -5.231 6.070 5.695 338 HD2 LYS 514 1HD LYS 514 -7.132 7.045 3.562 339 HD3 LYS 514 2HD LYS 514 -7.384 5.626 4.582 340 HE2 LYS 514 1HE LYS 514 -7.122 7.221 6.559 341 HE3 LYS 514 2HE LYS 514 -7.308 8.521 5.383 342 HZ1 LYS 514 1HZ LYS 514 -9.380 6.911 4.790 343 HZ2 LYS 514 2HZ LYS 514 -9.476 8.268 5.796 344 HZ3 LYS 514 3HZ LYS 514 -9.287 6.727 6.469 345 H GLY 515 H GLY 515 -3.938 9.476 1.117 346 HA2 GLY 515 1HA GLY 515 -3.089 11.641 0.700 347 HA3 GLY 515 2HA GLY 515 -3.004 11.917 2.433 348 H ARG 516 H ARG 516 -1.668 9.289 2.842 349 HA ARG 516 HA ARG 516 1.017 10.227 2.579 350 HB2 ARG 516 1HB ARG 516 -0.132 7.591 3.503 351 HB3 ARG 516 2HB ARG 516 1.589 7.954 3.516 352 HG2 ARG 516 1HG ARG 516 1.159 8.582 5.628 353 HG3 ARG 516 2HG ARG 516 0.656 10.088 4.857 354 HD2 ARG 516 1HD ARG 516 -1.602 9.583 5.057 355 HD3 ARG 516 2HD ARG 516 -1.298 7.856 5.246 356 HE ARG 516 HE ARG 516 -0.150 8.887 7.446 357 HH11 ARG 516 1HH1 ARG 516 -4.078 9.651 7.515 358 HH12 ARG 516 2HH1 ARG 516 -3.285 9.347 6.005 359 HH21 ARG 516 1HH2 ARG 516 -2.881 9.617 9.468 360 HH22 ARG 516 2HH2 ARG 516 -1.183 9.286 9.440 361 H THR 517 H THR 517 2.694 9.377 1.335 362 HA THR 517 HA THR 517 1.845 7.703 -0.940 363 HB THR 517 HB THR 517 3.942 9.880 -1.020 364 HG1 THR 517 1HG THR 517 1.282 9.843 -2.051 365 HG21 THR 517 1HG2 THR 517 2.759 8.084 -3.134 366 HG22 THR 517 2HG2 THR 517 4.447 8.194 -2.632 367 HG23 THR 517 3HG2 THR 517 3.695 9.533 -3.499 368 H GLY 518 H GLY 518 3.272 6.136 -1.681 369 HA2 GLY 518 1HA GLY 518 5.873 5.671 -1.300 370 HA3 GLY 518 2HA GLY 518 5.233 5.271 0.288 371 H TRP 519 H TRP 519 6.215 3.154 -0.299 372 HA TRP 519 HA TRP 519 4.603 1.587 -2.174 373 HB2 TRP 519 1HB TRP 519 7.131 0.823 -0.696 374 HB3 TRP 519 2HB TRP 519 6.335 -0.127 -1.948 375 HD1 TRP 519 HD TRP 519 8.057 3.332 -1.586 376 HE1 TRP 519 1HE TRP 519 9.189 3.889 -3.829 377 HE3 TRP 519 3HE TRP 519 6.503 -0.709 -4.305 378 HZ2 TRP 519 2HZ TRP 519 9.396 2.765 -6.410 379 HZ3 TRP 519 3HZ TRP 519 7.212 -0.891 -6.654 380 HH2 TRP 519 HH TRP 519 8.628 0.811 -7.684 381 H PHE 520 H PHE 520 3.665 -0.418 -1.564 382 HA PHE 520 HA PHE 520 3.477 -1.035 1.273 383 HB2 PHE 520 1HB PHE 520 0.960 -1.114 1.130 384 HB3 PHE 520 2HB PHE 520 1.655 0.503 1.090 385 HD1 PHE 520 1HD PHE 520 1.331 1.930 -0.759 386 HD2 PHE 520 2HD PHE 520 0.146 -2.152 -0.981 387 HE1 PHE 520 1HE PHE 520 0.125 2.397 -2.852 388 HE2 PHE 520 2HE PHE 520 -1.061 -1.692 -3.075 389 HZ PHE 520 HZ PHE 520 -1.072 0.586 -4.013 390 HA PRO 521 HA PRO 521 3.281 -5.185 -0.136 391 HB2 PRO 521 1HB PRO 521 1.760 -6.348 1.788 392 HB3 PRO 521 2HB PRO 521 3.425 -5.823 2.066 393 HG2 PRO 521 1HG PRO 521 0.863 -4.444 2.769 394 HG3 PRO 521 2HG PRO 521 2.338 -4.623 3.736 395 HD2 PRO 521 1HD PRO 521 1.744 -2.349 2.392 396 HD3 PRO 521 2HD PRO 521 3.412 -2.900 2.645 397 H ALA 522 H ALA 522 2.176 -5.581 -1.964 398 HA ALA 522 HA ALA 522 -0.464 -4.911 -2.516 399 HB1 ALA 522 1HB ALA 522 1.302 -5.571 -4.170 400 HB2 ALA 522 2HB ALA 522 0.994 -7.250 -3.728 401 HB3 ALA 522 3HB ALA 522 -0.289 -6.279 -4.452 402 H ASP 523 H ASP 523 0.818 -7.556 -0.706 403 HA ASP 523 HA ASP 523 -1.381 -9.331 -0.934 404 HB2 ASP 523 1HB ASP 523 0.985 -9.846 -0.093 405 HB3 ASP 523 2HB ASP 523 0.460 -9.170 1.446 406 H CYS 524 H CYS 524 -1.106 -6.342 0.546 407 HA CYS 524 HA CYS 524 -3.297 -6.948 2.419 408 HB2 CYS 524 1HB CYS 524 -1.368 -4.620 2.515 409 HB3 CYS 524 2HB CYS 524 -2.595 -5.010 3.714 410 HG CYS 524 HG CYS 524 -1.350 -7.464 4.419 411 H VAL 525 H VAL 525 -2.933 -5.902 -0.573 412 HA VAL 525 HA VAL 525 -5.108 -3.930 -0.339 413 HB VAL 525 HB VAL 525 -4.216 -2.566 -2.037 414 HG11 VAL 525 1HG1 VAL 525 -2.937 -2.827 0.305 415 HG12 VAL 525 2HG1 VAL 525 -1.605 -3.181 -0.798 416 HG13 VAL 525 3HG1 VAL 525 -2.472 -1.650 -0.923 417 HG21 VAL 525 1HG2 VAL 525 -3.345 -3.672 -3.783 418 HG22 VAL 525 2HG2 VAL 525 -1.814 -3.517 -2.922 419 HG23 VAL 525 3HG2 VAL 525 -2.762 -4.997 -2.777 420 H GLU 526 H GLU 526 -6.467 -3.758 -2.264 421 HA GLU 526 HA GLU 526 -6.351 -5.963 -4.152 422 HB2 GLU 526 1HB GLU 526 -8.311 -5.782 -1.948 423 HB3 GLU 526 2HB GLU 526 -8.983 -6.143 -3.532 424 HG2 GLU 526 1HG GLU 526 -7.415 -8.037 -3.727 425 HG3 GLU 526 2HG GLU 526 -6.847 -7.699 -2.093 426 H GLU 527 H GLU 527 -7.005 -5.338 -6.115 427 HA GLU 527 HA GLU 527 -7.721 -2.653 -6.617 428 HB2 GLU 527 1HB GLU 527 -6.577 -4.410 -8.160 429 HB3 GLU 527 2HB GLU 527 -8.222 -4.858 -8.588 430 HG2 GLU 527 1HG GLU 527 -7.918 -2.012 -8.725 431 HG3 GLU 527 2HG GLU 527 -6.663 -2.805 -9.674 432 H VAL 528 H VAL 528 -9.660 -1.747 -7.333 433 HA VAL 528 HA VAL 528 -11.985 -2.477 -6.046 434 HB VAL 528 HB VAL 528 -13.190 -1.032 -7.660 435 HG11 VAL 528 1HG1 VAL 528 -10.960 0.724 -7.277 436 HG12 VAL 528 2HG1 VAL 528 -12.497 0.667 -6.410 437 HG13 VAL 528 3HG1 VAL 528 -11.141 -0.322 -5.869 438 HG21 VAL 528 1HG2 VAL 528 -11.945 0.091 -9.438 439 HG22 VAL 528 2HG2 VAL 528 -10.514 -0.862 -9.047 440 HG23 VAL 528 3HG2 VAL 528 -11.957 -1.656 -9.678 441 H GLN 529 H GLN 529 -10.693 -3.651 -9.056 442 HA GLN 529 HA GLN 529 -13.167 -5.126 -9.607 443 HB2 GLN 529 1HB GLN 529 -10.853 -4.242 -11.258 444 HB3 GLN 529 2HB GLN 529 -11.671 -5.725 -11.730 445 HG2 GLN 529 1HG GLN 529 -13.694 -4.620 -12.126 446 HG3 GLN 529 2HG GLN 529 -13.182 -3.185 -11.240 447 HE21 GLN 529 1HE2 GLN 529 -11.476 -1.732 -13.921 448 HE22 GLN 529 2HE2 GLN 529 -11.728 -1.749 -12.212 449 H MET 530 H MET 530 -9.761 -5.950 -10.202 450 HA MET 530 HA MET 530 -9.620 -8.038 -8.314 451 HB2 MET 530 1HB MET 530 -9.772 -9.984 -9.748 452 HB3 MET 530 2HB MET 530 -11.275 -9.074 -9.834 453 HG2 MET 530 1HG MET 530 -10.316 -8.004 -11.934 454 HG3 MET 530 2HG MET 530 -9.097 -9.275 -11.882 455 HE1 MET 530 1HE MET 530 -10.576 -12.417 -12.541 456 HE2 MET 530 2HE MET 530 -10.000 -11.498 -13.933 457 HE3 MET 530 3HE MET 530 -9.193 -11.336 -12.372 Start of MODEL 18 1 H1 MET 470 H MET 470 -14.754 8.651 -4.567 2 HA MET 470 HA MET 470 -15.138 6.745 -6.742 3 HB2 MET 470 1HB MET 470 -16.617 9.226 -5.884 4 HB3 MET 470 2HB MET 470 -16.953 8.417 -7.409 5 HG2 MET 470 1HG MET 470 -17.461 6.350 -6.155 6 HG3 MET 470 2HG MET 470 -17.223 7.241 -4.653 7 HE1 MET 470 1HE MET 470 -21.044 6.556 -6.593 8 HE2 MET 470 2HE MET 470 -19.481 5.802 -6.906 9 HE3 MET 470 3HE MET 470 -20.192 5.723 -5.293 10 H VAL 471 H VAL 471 -13.177 7.018 -7.858 11 HA VAL 471 HA VAL 471 -13.023 9.528 -9.387 12 HB VAL 471 HB VAL 471 -11.239 9.585 -7.736 13 HG11 VAL 471 1HG1 VAL 471 -9.600 7.439 -8.736 14 HG12 VAL 471 2HG1 VAL 471 -10.111 7.784 -7.082 15 HG13 VAL 471 3HG1 VAL 471 -11.142 6.823 -8.143 16 HG21 VAL 471 1HG2 VAL 471 -9.297 9.749 -9.284 17 HG22 VAL 471 2HG2 VAL 471 -10.292 9.014 -10.542 18 HG23 VAL 471 3HG2 VAL 471 -10.740 10.581 -9.864 19 HA PRO 472 HA PRO 472 -13.158 6.768 -12.842 20 HB2 PRO 472 1HB PRO 472 -12.500 8.576 -14.757 21 HB3 PRO 472 2HB PRO 472 -14.094 8.521 -13.996 22 HG2 PRO 472 1HG PRO 472 -11.776 10.319 -13.405 23 HG3 PRO 472 2HG PRO 472 -13.499 10.719 -13.528 24 HD2 PRO 472 1HD PRO 472 -12.247 10.388 -11.150 25 HD3 PRO 472 2HD PRO 472 -13.955 9.970 -11.397 26 H GLY 473 H GLY 473 -11.477 5.336 -12.659 27 HA2 GLY 473 1HA GLY 473 -9.371 5.298 -14.347 28 HA3 GLY 473 2HA GLY 473 -8.735 6.206 -12.984 29 H ARG 474 H ARG 474 -7.465 4.943 -11.809 30 HA ARG 474 HA ARG 474 -8.316 2.161 -11.336 31 HB2 ARG 474 1HB ARG 474 -5.891 3.145 -12.355 32 HB3 ARG 474 2HB ARG 474 -5.540 2.647 -10.706 33 HG2 ARG 474 1HG ARG 474 -5.119 0.726 -11.902 34 HG3 ARG 474 2HG ARG 474 -6.780 0.470 -11.363 35 HD2 ARG 474 1HD ARG 474 -6.064 1.648 -14.040 36 HD3 ARG 474 2HD ARG 474 -6.322 -0.076 -13.777 37 HE ARG 474 HE ARG 474 -8.324 1.929 -14.035 38 HH11 ARG 474 1HH1 ARG 474 -9.235 -1.541 -12.256 39 HH12 ARG 474 2HH1 ARG 474 -7.577 -1.073 -12.438 40 HH21 ARG 474 1HH2 ARG 474 -10.903 -0.177 -13.034 41 HH22 ARG 474 2HH2 ARG 474 -10.512 1.324 -13.802 42 H LYS 475 H LYS 475 -8.963 1.731 -9.343 43 HA LYS 475 HA LYS 475 -7.826 3.292 -7.118 44 HB2 LYS 475 1HB LYS 475 -10.028 4.108 -7.310 45 HB3 LYS 475 2HB LYS 475 -10.683 2.509 -7.641 46 HG2 LYS 475 1HG LYS 475 -10.548 1.859 -5.408 47 HG3 LYS 475 2HG LYS 475 -9.414 3.150 -5.004 48 HD2 LYS 475 1HD LYS 475 -11.641 3.627 -4.124 49 HD3 LYS 475 2HD LYS 475 -11.178 4.809 -5.350 50 HE2 LYS 475 1HE LYS 475 -12.516 3.625 -7.009 51 HE3 LYS 475 2HE LYS 475 -12.950 2.409 -5.808 52 HZ1 LYS 475 1HZ LYS 475 -13.599 5.294 -5.558 53 HZ2 LYS 475 2HZ LYS 475 -14.139 4.039 -4.560 54 HZ3 LYS 475 3HZ LYS 475 -14.669 4.131 -6.164 55 H PHE 476 H PHE 476 -7.594 2.204 -5.123 56 HA PHE 476 HA PHE 476 -7.924 -0.713 -5.211 57 HB2 PHE 476 1HB PHE 476 -5.424 0.844 -4.763 58 HB3 PHE 476 2HB PHE 476 -5.662 -0.616 -3.809 59 HD1 PHE 476 1HD PHE 476 -5.619 0.639 -7.302 60 HD2 PHE 476 2HD PHE 476 -5.155 -2.698 -4.702 61 HE1 PHE 476 1HE PHE 476 -4.819 -0.718 -9.192 62 HE2 PHE 476 2HE PHE 476 -4.354 -4.061 -6.587 63 HZ PHE 476 HZ PHE 476 -4.185 -3.072 -8.836 64 H ILE 477 H ILE 477 -7.832 -1.724 -3.057 65 HA ILE 477 HA ILE 477 -8.489 0.107 -0.860 66 HB ILE 477 HB ILE 477 -10.598 -0.759 -1.901 67 HG12 ILE 477 1HG1 ILE 477 -11.317 -1.849 0.459 68 HG13 ILE 477 2HG1 ILE 477 -9.796 -1.101 0.934 69 HG21 ILE 477 1HG2 ILE 477 -11.124 -2.974 -2.027 70 HG22 ILE 477 2HG2 ILE 477 -9.376 -3.082 -2.223 71 HG23 ILE 477 3HG2 ILE 477 -10.108 -3.408 -0.653 72 HD11 ILE 477 1HD1 ILE 477 -10.992 0.909 -0.457 73 HD12 ILE 477 2HD1 ILE 477 -12.372 0.112 0.300 74 HD13 ILE 477 3HD1 ILE 477 -11.043 0.709 1.295 75 H ALA 478 H ALA 478 -7.654 -0.459 1.070 76 HA ALA 478 HA ALA 478 -5.875 -2.740 1.155 77 HB1 ALA 478 1HB ALA 478 -5.172 -1.843 3.322 78 HB2 ALA 478 2HB ALA 478 -5.126 -0.610 2.061 79 HB3 ALA 478 3HB ALA 478 -6.448 -0.627 3.229 80 H VAL 479 H VAL 479 -6.208 -4.616 2.195 81 HA VAL 479 HA VAL 479 -8.776 -4.954 3.584 82 HB VAL 479 HB VAL 479 -8.271 -7.432 3.277 83 HG11 VAL 479 1HG1 VAL 479 -9.583 -5.632 1.703 84 HG12 VAL 479 2HG1 VAL 479 -8.482 -6.387 0.550 85 HG13 VAL 479 3HG1 VAL 479 -9.606 -7.381 1.478 86 HG21 VAL 479 1HG2 VAL 479 -6.598 -6.916 0.953 87 HG22 VAL 479 2HG2 VAL 479 -5.806 -6.500 2.472 88 HG23 VAL 479 3HG2 VAL 479 -6.429 -8.130 2.221 89 H LYS 480 H LYS 480 -5.314 -5.333 3.926 90 HA LYS 480 HA LYS 480 -5.709 -6.189 6.718 91 HB2 LYS 480 1HB LYS 480 -3.075 -6.444 5.325 92 HB3 LYS 480 2HB LYS 480 -3.741 -7.410 6.635 93 HG2 LYS 480 1HG LYS 480 -4.613 -7.490 3.754 94 HG3 LYS 480 2HG LYS 480 -3.620 -8.692 4.579 95 HD2 LYS 480 1HD LYS 480 -6.466 -7.963 5.278 96 HD3 LYS 480 2HD LYS 480 -5.950 -9.419 4.421 97 HE2 LYS 480 1HE LYS 480 -5.341 -8.642 7.268 98 HE3 LYS 480 2HE LYS 480 -6.315 -10.002 6.709 99 HZ1 LYS 480 1HZ LYS 480 -4.057 -10.589 5.509 100 HZ2 LYS 480 2HZ LYS 480 -4.371 -11.069 7.101 101 HZ3 LYS 480 3HZ LYS 480 -3.411 -9.709 6.802 102 H ALA 481 H ALA 481 -3.416 -5.592 7.905 103 HA ALA 481 HA ALA 481 -3.215 -2.666 7.623 104 HB1 ALA 481 1HB ALA 481 -2.743 -4.373 10.066 105 HB2 ALA 481 2HB ALA 481 -2.592 -2.617 9.989 106 HB3 ALA 481 3HB ALA 481 -4.166 -3.379 9.750 107 H HIS 482 H HIS 482 -1.111 -1.712 8.216 108 HA HIS 482 HA HIS 482 1.247 -3.288 8.305 109 HB2 HIS 482 1HB HIS 482 0.614 -3.597 5.910 110 HB3 HIS 482 2HB HIS 482 0.746 -1.855 5.688 111 HD1 HIS 482 1HD HIS 482 2.893 -4.850 6.543 112 HD2 HIS 482 2HD HIS 482 3.275 -0.945 5.180 113 HE1 HIS 482 1HE HIS 482 5.312 -4.595 5.904 114 H SER 483 H SER 483 3.164 -2.016 8.507 115 HA SER 483 HA SER 483 2.646 0.851 8.947 116 HB2 SER 483 1HB SER 483 4.818 -0.137 10.576 117 HB3 SER 483 2HB SER 483 3.344 0.694 11.071 118 HG SER 483 HG SER 483 3.969 -1.946 11.205 119 HA PRO 484 HA PRO 484 6.054 1.724 6.321 120 HB2 PRO 484 1HB PRO 484 6.978 4.026 7.425 121 HB3 PRO 484 2HB PRO 484 5.469 3.938 6.507 122 HG2 PRO 484 1HG PRO 484 5.885 3.934 9.472 123 HG3 PRO 484 2HG PRO 484 4.674 4.804 8.514 124 HD2 PRO 484 1HD PRO 484 4.110 2.513 9.842 125 HD3 PRO 484 2HD PRO 484 3.317 2.951 8.316 126 H GLN 485 H GLN 485 7.722 0.324 6.463 127 HA GLN 485 HA GLN 485 9.179 -0.363 8.712 128 HB2 GLN 485 1HB GLN 485 9.991 -0.349 5.806 129 HB3 GLN 485 2HB GLN 485 10.968 -1.069 7.079 130 HG2 GLN 485 1HG GLN 485 8.268 -1.921 6.093 131 HG3 GLN 485 2HG GLN 485 9.775 -2.837 6.110 132 HE21 GLN 485 1HE2 GLN 485 7.398 -2.643 9.401 133 HE22 GLN 485 2HE2 GLN 485 7.139 -1.615 8.036 134 H GLY 486 H GLY 486 9.458 2.432 6.666 135 HA2 GLY 486 1HA GLY 486 10.800 4.047 8.406 136 HA3 GLY 486 2HA GLY 486 12.082 3.180 7.575 137 H GLU 487 H GLU 487 12.155 3.345 5.217 138 HA GLU 487 HA GLU 487 10.993 5.879 4.259 139 HB2 GLU 487 1HB GLU 487 13.768 4.947 4.303 140 HB3 GLU 487 2HB GLU 487 13.247 5.506 2.719 141 HG2 GLU 487 1HG GLU 487 12.310 7.431 4.490 142 HG3 GLU 487 2HG GLU 487 13.919 7.017 5.078 143 H GLY 488 H GLY 488 9.960 5.843 2.341 144 HA2 GLY 488 1HA GLY 488 9.257 5.085 0.269 145 HA3 GLY 488 2HA GLY 488 10.457 3.805 0.370 146 H GLU 489 H GLU 489 8.090 4.345 2.883 147 HA GLU 489 HA GLU 489 6.375 2.216 1.892 148 HB2 GLU 489 1HB GLU 489 7.775 2.015 4.564 149 HB3 GLU 489 2HB GLU 489 6.546 0.911 3.966 150 HG2 GLU 489 1HG GLU 489 8.199 0.610 1.970 151 HG3 GLU 489 2HG GLU 489 9.383 1.222 3.122 152 H ILE 490 H ILE 490 4.298 2.337 2.639 153 HA ILE 490 HA ILE 490 3.723 4.488 4.570 154 HB ILE 490 HB ILE 490 1.469 4.610 3.323 155 HG12 ILE 490 1HG1 ILE 490 3.167 3.456 1.103 156 HG13 ILE 490 2HG1 ILE 490 1.940 2.541 1.973 157 HG21 ILE 490 1HG2 ILE 490 3.856 5.601 1.788 158 HG22 ILE 490 2HG2 ILE 490 2.269 6.352 1.948 159 HG23 ILE 490 3HG2 ILE 490 3.360 6.295 3.332 160 HD11 ILE 490 1HD1 ILE 490 1.650 4.338 -0.240 161 HD12 ILE 490 2HD1 ILE 490 0.470 3.243 0.480 162 HD13 ILE 490 3HD1 ILE 490 0.666 4.873 1.122 163 HA PRO 491 HA PRO 491 1.448 1.632 7.005 164 HB2 PRO 491 1HB PRO 491 -0.575 3.187 7.931 165 HB3 PRO 491 2HB PRO 491 1.094 3.348 8.490 166 HG2 PRO 491 1HG PRO 491 -0.389 4.974 6.459 167 HG3 PRO 491 2HG PRO 491 0.704 5.517 7.746 168 HD2 PRO 491 1HD PRO 491 1.490 5.294 5.164 169 HD3 PRO 491 2HD PRO 491 2.593 5.012 6.526 170 H LEU 492 H LEU 492 -0.775 0.719 7.363 171 HA LEU 492 HA LEU 492 -2.640 1.071 5.162 172 HB2 LEU 492 1HB LEU 492 -1.182 -1.496 5.723 173 HB3 LEU 492 2HB LEU 492 -2.714 -1.449 4.853 174 HG LEU 492 HG LEU 492 -0.107 -0.207 3.983 175 HD11 LEU 492 1HD1 LEU 492 -0.650 -1.833 2.018 176 HD12 LEU 492 2HD1 LEU 492 -1.615 -2.669 3.234 177 HD13 LEU 492 3HD1 LEU 492 0.115 -2.441 3.486 178 HD21 LEU 492 1HD2 LEU 492 -1.317 1.191 2.752 179 HD22 LEU 492 2HD2 LEU 492 -2.822 0.433 3.279 180 HD23 LEU 492 3HD2 LEU 492 -1.954 -0.206 1.882 181 H HIS 493 H HIS 493 -4.733 0.439 5.642 182 HA HIS 493 HA HIS 493 -5.259 -0.913 8.167 183 HB2 HIS 493 1HB HIS 493 -5.627 1.957 7.738 184 HB3 HIS 493 2HB HIS 493 -7.096 1.149 8.277 185 HD1 HIS 493 1HD HIS 493 -7.244 0.541 10.710 186 HD2 HIS 493 2HD HIS 493 -3.417 1.698 9.579 187 HE1 HIS 493 1HE HIS 493 -5.937 0.725 12.850 188 H ARG 494 H ARG 494 -7.050 -2.156 8.100 189 HA ARG 494 HA ARG 494 -8.255 -2.816 5.688 190 HB2 ARG 494 1HB ARG 494 -10.047 -3.870 7.166 191 HB3 ARG 494 2HB ARG 494 -8.391 -4.405 7.421 192 HG2 ARG 494 1HG ARG 494 -8.201 -3.262 9.439 193 HG3 ARG 494 2HG ARG 494 -9.574 -2.212 9.080 194 HD2 ARG 494 1HD ARG 494 -9.756 -5.183 9.565 195 HD3 ARG 494 2HD ARG 494 -10.072 -3.945 10.781 196 HE ARG 494 HE ARG 494 -11.822 -4.779 8.677 197 HH11 ARG 494 1HH1 ARG 494 -12.485 -1.346 10.626 198 HH12 ARG 494 2HH1 ARG 494 -10.935 -2.112 10.731 199 HH21 ARG 494 1HH2 ARG 494 -14.153 -2.297 9.376 200 HH22 ARG 494 2HH2 ARG 494 -13.868 -3.782 8.532 201 H GLY 495 H GLY 495 -9.614 -1.718 4.445 202 HA2 GLY 495 1HA GLY 495 -11.807 -0.746 4.160 203 HA3 GLY 495 2HA GLY 495 -11.632 -0.005 5.743 204 H GLU 496 H GLU 496 -8.702 0.485 4.656 205 HA GLU 496 HA GLU 496 -9.223 3.202 3.903 206 HB2 GLU 496 1HB GLU 496 -6.667 1.599 4.056 207 HB3 GLU 496 2HB GLU 496 -6.724 3.310 3.650 208 HG2 GLU 496 1HG GLU 496 -7.340 1.970 6.249 209 HG3 GLU 496 2HG GLU 496 -6.219 3.287 5.913 210 H ALA 497 H ALA 497 -8.690 4.216 1.938 211 HA ALA 497 HA ALA 497 -8.895 2.435 -0.377 212 HB1 ALA 497 1HB ALA 497 -10.511 4.325 -0.067 213 HB2 ALA 497 2HB ALA 497 -9.166 5.435 -0.342 214 HB3 ALA 497 3HB ALA 497 -9.664 4.319 -1.614 215 H VAL 498 H VAL 498 -7.032 1.838 -1.266 216 HA VAL 498 HA VAL 498 -4.732 3.651 -1.160 217 HB VAL 498 HB VAL 498 -4.587 0.856 -2.227 218 HG11 VAL 498 1HG1 VAL 498 -2.658 2.594 -0.690 219 HG12 VAL 498 2HG1 VAL 498 -2.321 0.974 -1.302 220 HG13 VAL 498 3HG1 VAL 498 -2.632 2.296 -2.428 221 HG21 VAL 498 1HG2 VAL 498 -5.525 0.169 -0.283 222 HG22 VAL 498 2HG2 VAL 498 -3.894 0.442 0.329 223 HG23 VAL 498 3HG2 VAL 498 -5.140 1.668 0.562 224 H LYS 499 H LYS 499 -3.422 3.977 -3.055 225 HA LYS 499 HA LYS 499 -4.866 3.609 -5.594 226 HB2 LYS 499 1HB LYS 499 -4.703 6.022 -4.415 227 HB3 LYS 499 2HB LYS 499 -3.181 6.033 -5.295 228 HG2 LYS 499 1HG LYS 499 -4.636 7.021 -6.785 229 HG3 LYS 499 2HG LYS 499 -4.618 5.340 -7.327 230 HD2 LYS 499 1HD LYS 499 -6.888 5.959 -7.316 231 HD3 LYS 499 2HD LYS 499 -6.663 5.009 -5.845 232 HE2 LYS 499 1HE LYS 499 -7.980 6.938 -5.307 233 HE3 LYS 499 2HE LYS 499 -6.382 7.139 -4.589 234 HZ1 LYS 499 1HZ LYS 499 -6.218 8.266 -7.095 235 HZ2 LYS 499 2HZ LYS 499 -6.291 9.084 -5.616 236 HZ3 LYS 499 3HZ LYS 499 -7.710 8.780 -6.485 237 H VAL 500 H VAL 500 -3.631 1.975 -6.397 238 HA VAL 500 HA VAL 500 -0.809 1.837 -6.170 239 HB VAL 500 HB VAL 500 -2.655 0.454 -8.120 240 HG11 VAL 500 1HG1 VAL 500 -0.542 -1.188 -7.921 241 HG12 VAL 500 2HG1 VAL 500 -0.692 0.050 -9.171 242 HG13 VAL 500 3HG1 VAL 500 0.271 0.365 -7.728 243 HG21 VAL 500 1HG2 VAL 500 -2.611 -1.404 -6.626 244 HG22 VAL 500 2HG2 VAL 500 -1.401 -0.630 -5.604 245 HG23 VAL 500 3HG2 VAL 500 -3.038 0.023 -5.682 246 H LEU 501 H LEU 501 0.787 2.588 -7.448 247 HA LEU 501 HA LEU 501 0.036 3.908 -9.968 248 HB2 LEU 501 1HB LEU 501 1.343 5.017 -7.607 249 HB3 LEU 501 2HB LEU 501 2.242 5.298 -9.098 250 HG LEU 501 HG LEU 501 0.111 6.276 -10.047 251 HD11 LEU 501 1HD1 LEU 501 -1.595 5.511 -8.664 252 HD12 LEU 501 2HD1 LEU 501 -1.389 7.191 -8.169 253 HD13 LEU 501 3HD1 LEU 501 -0.705 5.893 -7.190 254 HD21 LEU 501 1HD2 LEU 501 2.148 7.476 -8.922 255 HD22 LEU 501 2HD2 LEU 501 0.965 7.863 -7.671 256 HD23 LEU 501 3HD2 LEU 501 0.692 8.381 -9.336 257 H SER 502 H SER 502 2.745 2.615 -8.062 258 HA SER 502 HA SER 502 3.964 1.712 -10.589 259 HB2 SER 502 1HB SER 502 5.149 3.084 -8.237 260 HB3 SER 502 2HB SER 502 6.108 1.795 -8.964 261 HG SER 502 HG SER 502 5.599 2.967 -11.021 262 H ILE 503 H ILE 503 5.396 -0.201 -10.332 263 HA ILE 503 HA ILE 503 4.434 -1.995 -8.201 264 HB ILE 503 HB ILE 503 5.029 -2.812 -11.047 265 HG12 ILE 503 1HG1 ILE 503 2.974 -1.477 -10.910 266 HG13 ILE 503 2HG1 ILE 503 2.609 -3.162 -11.263 267 HG21 ILE 503 1HG2 ILE 503 3.489 -4.732 -9.679 268 HG22 ILE 503 2HG2 ILE 503 5.156 -4.872 -10.235 269 HG23 ILE 503 3HG2 ILE 503 4.817 -4.285 -8.608 270 HD11 ILE 503 1HD1 ILE 503 1.857 -3.547 -9.051 271 HD12 ILE 503 2HD1 ILE 503 2.474 -1.989 -8.503 272 HD13 ILE 503 3HD1 ILE 503 1.101 -2.055 -9.606 273 H GLY 504 H GLY 504 5.935 -3.211 -7.169 274 HA2 GLY 504 1HA GLY 504 8.734 -2.675 -7.855 275 HA3 GLY 504 2HA GLY 504 8.148 -3.304 -6.322 276 H GLU 505 H GLU 505 8.344 -5.419 -5.958 277 HA GLU 505 HA GLU 505 9.229 -7.106 -8.183 278 HB2 GLU 505 1HB GLU 505 9.325 -7.620 -5.204 279 HB3 GLU 505 2HB GLU 505 10.008 -8.659 -6.448 280 HG2 GLU 505 1HG GLU 505 10.971 -5.943 -6.678 281 HG3 GLU 505 2HG GLU 505 11.298 -6.627 -5.086 282 H GLY 506 H GLY 506 6.388 -6.302 -7.511 283 HA2 GLY 506 1HA GLY 506 4.447 -7.498 -8.117 284 HA3 GLY 506 2HA GLY 506 5.285 -8.998 -7.752 285 H GLY 507 H GLY 507 6.211 -7.862 -5.139 286 HA2 GLY 507 1HA GLY 507 3.723 -8.429 -3.683 287 HA3 GLY 507 2HA GLY 507 5.350 -8.587 -3.037 288 H PHE 508 H PHE 508 5.909 -5.869 -4.358 289 HA PHE 508 HA PHE 508 4.517 -4.195 -2.379 290 HB2 PHE 508 1HB PHE 508 7.258 -4.844 -2.365 291 HB3 PHE 508 2HB PHE 508 7.158 -3.182 -2.937 292 HD1 PHE 508 1HD PHE 508 5.326 -5.182 -0.369 293 HD2 PHE 508 2HD PHE 508 7.575 -1.680 -1.263 294 HE1 PHE 508 1HE PHE 508 5.037 -4.409 1.948 295 HE2 PHE 508 2HE PHE 508 7.291 -0.902 1.055 296 HZ PHE 508 HZ PHE 508 6.021 -2.267 2.663 297 H TRP 509 H TRP 509 3.363 -2.704 -3.389 298 HA TRP 509 HA TRP 509 4.376 -1.628 -5.939 299 HB2 TRP 509 1HB TRP 509 1.489 -1.755 -5.048 300 HB3 TRP 509 2HB TRP 509 2.089 -1.267 -6.631 301 HD1 TRP 509 HD TRP 509 4.230 -3.894 -6.540 302 HE1 TRP 509 1HE TRP 509 3.239 -6.157 -7.265 303 HE3 TRP 509 3HE TRP 509 -0.737 -2.828 -5.965 304 HZ2 TRP 509 2HZ TRP 509 0.690 -7.333 -7.556 305 HZ3 TRP 509 3HZ TRP 509 -2.387 -4.577 -6.488 306 HH2 TRP 509 HH TRP 509 -1.686 -6.781 -7.267 307 H GLU 510 H GLU 510 4.363 0.574 -6.268 308 HA GLU 510 HA GLU 510 4.213 2.187 -3.854 309 HB2 GLU 510 1HB GLU 510 6.055 2.987 -4.876 310 HB3 GLU 510 2HB GLU 510 5.563 2.371 -6.446 311 HG2 GLU 510 1HG GLU 510 5.740 4.766 -6.528 312 HG3 GLU 510 2HG GLU 510 4.053 4.289 -6.710 313 H GLY 511 H GLY 511 2.623 3.571 -3.373 314 HA2 GLY 511 1HA GLY 511 0.955 4.739 -5.419 315 HA3 GLY 511 2HA GLY 511 0.126 3.545 -4.431 316 H THR 512 H THR 512 -1.281 5.257 -3.747 317 HA THR 512 HA THR 512 -0.137 6.766 -1.508 318 HB THR 512 HB THR 512 -2.002 7.973 -3.559 319 HG1 THR 512 1HG THR 512 -0.260 8.876 -4.403 320 HG21 THR 512 1HG2 THR 512 -1.820 10.016 -2.304 321 HG22 THR 512 2HG2 THR 512 -0.665 9.282 -1.191 322 HG23 THR 512 3HG2 THR 512 -2.343 8.739 -1.207 323 H VAL 513 H VAL 513 -1.456 6.966 0.252 324 HA VAL 513 HA VAL 513 -4.264 6.217 0.050 325 HB VAL 513 HB VAL 513 -2.831 4.129 0.506 326 HG11 VAL 513 1HG1 VAL 513 -1.855 3.805 2.566 327 HG12 VAL 513 2HG1 VAL 513 -1.524 5.517 2.295 328 HG13 VAL 513 3HG1 VAL 513 -2.851 5.030 3.351 329 HG21 VAL 513 1HG2 VAL 513 -5.005 3.630 0.856 330 HG22 VAL 513 2HG2 VAL 513 -4.514 3.628 2.549 331 HG23 VAL 513 3HG2 VAL 513 -5.283 5.056 1.857 332 H LYS 514 H LYS 514 -5.504 7.351 1.418 333 HA LYS 514 HA LYS 514 -6.087 8.973 2.911 334 HB2 LYS 514 1HB LYS 514 -3.932 7.834 4.682 335 HB3 LYS 514 2HB LYS 514 -5.445 8.589 5.163 336 HG2 LYS 514 1HG LYS 514 -5.079 5.898 3.870 337 HG3 LYS 514 2HG LYS 514 -5.631 6.238 5.512 338 HD2 LYS 514 1HD LYS 514 -7.078 6.978 2.969 339 HD3 LYS 514 2HD LYS 514 -7.500 5.648 4.050 340 HE2 LYS 514 1HE LYS 514 -7.757 7.367 5.874 341 HE3 LYS 514 2HE LYS 514 -7.599 8.603 4.627 342 HZ1 LYS 514 1HZ LYS 514 -9.918 8.099 5.131 343 HZ2 LYS 514 2HZ LYS 514 -9.682 6.486 4.682 344 HZ3 LYS 514 3HZ LYS 514 -9.543 7.714 3.527 345 H GLY 515 H GLY 515 -3.877 9.549 1.022 346 HA2 GLY 515 1HA GLY 515 -2.924 11.691 0.671 347 HA3 GLY 515 2HA GLY 515 -2.879 11.928 2.412 348 H ARG 516 H ARG 516 -1.688 9.281 2.886 349 HA ARG 516 HA ARG 516 1.042 10.052 2.720 350 HB2 ARG 516 1HB ARG 516 -0.220 7.402 3.446 351 HB3 ARG 516 2HB ARG 516 1.486 7.782 3.641 352 HG2 ARG 516 1HG ARG 516 0.934 8.406 5.705 353 HG3 ARG 516 2HG ARG 516 0.270 9.856 4.949 354 HD2 ARG 516 1HD ARG 516 -1.898 8.589 4.705 355 HD3 ARG 516 2HD ARG 516 -1.190 7.343 5.732 356 HE ARG 516 HE ARG 516 -2.218 9.884 6.560 357 HH11 ARG 516 1HH1 ARG 516 0.108 7.733 9.008 358 HH12 ARG 516 2HH1 ARG 516 0.065 7.366 7.315 359 HH21 ARG 516 1HH2 ARG 516 -1.164 9.445 9.844 360 HH22 ARG 516 2HH2 ARG 516 -2.170 10.377 8.787 361 H THR 517 H THR 517 2.681 9.323 1.419 362 HA THR 517 HA THR 517 1.876 7.675 -0.890 363 HB THR 517 HB THR 517 3.867 9.952 -0.841 364 HG1 THR 517 1HG THR 517 2.343 11.048 -1.981 365 HG21 THR 517 1HG2 THR 517 3.209 7.880 -2.901 366 HG22 THR 517 2HG2 THR 517 4.784 8.497 -2.398 367 HG23 THR 517 3HG2 THR 517 3.725 9.491 -3.399 368 H GLY 518 H GLY 518 3.291 6.104 -1.616 369 HA2 GLY 518 1HA GLY 518 5.896 5.644 -1.239 370 HA3 GLY 518 2HA GLY 518 5.254 5.231 0.344 371 H TRP 519 H TRP 519 6.247 3.121 -0.268 372 HA TRP 519 HA TRP 519 4.640 1.567 -2.155 373 HB2 TRP 519 1HB TRP 519 7.162 0.791 -0.672 374 HB3 TRP 519 2HB TRP 519 6.373 -0.145 -1.939 375 HD1 TRP 519 HD TRP 519 8.089 3.311 -1.530 376 HE1 TRP 519 1HE TRP 519 9.234 3.893 -3.760 377 HE3 TRP 519 3HE TRP 519 6.559 -0.704 -4.300 378 HZ2 TRP 519 2HZ TRP 519 9.460 2.796 -6.350 379 HZ3 TRP 519 3HZ TRP 519 7.283 -0.861 -6.647 380 HH2 TRP 519 HH TRP 519 8.703 0.854 -7.649 381 H PHE 520 H PHE 520 3.695 -0.439 -1.565 382 HA PHE 520 HA PHE 520 3.505 -1.089 1.262 383 HB2 PHE 520 1HB PHE 520 0.989 -1.147 1.129 384 HB3 PHE 520 2HB PHE 520 1.693 0.467 1.100 385 HD1 PHE 520 1HD PHE 520 0.154 -2.161 -0.982 386 HD2 PHE 520 2HD PHE 520 1.375 1.908 -0.740 387 HE1 PHE 520 1HE PHE 520 -1.061 -1.676 -3.066 388 HE2 PHE 520 2HE PHE 520 0.162 2.401 -2.823 389 HZ PHE 520 HZ PHE 520 -1.059 0.607 -3.989 390 HA PRO 521 HA PRO 521 3.275 -5.218 -0.202 391 HB2 PRO 521 1HB PRO 521 1.746 -6.396 1.706 392 HB3 PRO 521 2HB PRO 521 3.413 -5.887 1.992 393 HG2 PRO 521 1HG PRO 521 0.861 -4.499 2.713 394 HG3 PRO 521 2HG PRO 521 2.336 -4.702 3.677 395 HD2 PRO 521 1HD PRO 521 1.758 -2.405 2.364 396 HD3 PRO 521 2HD PRO 521 3.424 -2.973 2.610 397 H ALA 522 H ALA 522 2.169 -5.608 -2.027 398 HA ALA 522 HA ALA 522 -0.466 -4.902 -2.575 399 HB1 ALA 522 1HB ALA 522 -0.294 -6.212 -4.535 400 HB2 ALA 522 2HB ALA 522 1.325 -5.586 -4.219 401 HB3 ALA 522 3HB ALA 522 0.933 -7.258 -3.817 402 H ASP 523 H ASP 523 0.786 -7.557 -0.768 403 HA ASP 523 HA ASP 523 -1.412 -9.328 -1.024 404 HB2 ASP 523 1HB ASP 523 0.916 -9.889 -0.170 405 HB3 ASP 523 2HB ASP 523 0.438 -9.145 1.353 406 H CYS 524 H CYS 524 -1.158 -6.338 0.455 407 HA CYS 524 HA CYS 524 -3.387 -6.940 2.283 408 HB2 CYS 524 1HB CYS 524 -1.463 -4.614 2.461 409 HB3 CYS 524 2HB CYS 524 -2.688 -5.064 3.642 410 HG CYS 524 HG CYS 524 -1.218 -7.713 3.778 411 H VAL 525 H VAL 525 -3.009 -5.928 -0.687 412 HA VAL 525 HA VAL 525 -5.134 -3.901 -0.476 413 HB VAL 525 HB VAL 525 -4.193 -2.540 -2.145 414 HG11 VAL 525 1HG1 VAL 525 -2.509 -1.651 -0.951 415 HG12 VAL 525 2HG1 VAL 525 -2.900 -2.922 0.211 416 HG13 VAL 525 3HG1 VAL 525 -1.587 -3.154 -0.944 417 HG21 VAL 525 1HG2 VAL 525 -1.806 -3.515 -3.021 418 HG22 VAL 525 2HG2 VAL 525 -2.764 -4.990 -2.885 419 HG23 VAL 525 3HG2 VAL 525 -3.333 -3.659 -3.892 420 H GLU 526 H GLU 526 -6.624 -3.839 -2.205 421 HA GLU 526 HA GLU 526 -6.475 -6.035 -4.141 422 HB2 GLU 526 1HB GLU 526 -8.471 -5.685 -1.996 423 HB3 GLU 526 2HB GLU 526 -9.135 -6.038 -3.586 424 HG2 GLU 526 1HG GLU 526 -6.891 -7.750 -2.860 425 HG3 GLU 526 2HG GLU 526 -8.268 -7.886 -1.769 426 H GLU 527 H GLU 527 -7.008 -5.427 -6.141 427 HA GLU 527 HA GLU 527 -7.630 -2.720 -6.715 428 HB2 GLU 527 1HB GLU 527 -6.341 -4.336 -8.187 429 HB3 GLU 527 2HB GLU 527 -7.891 -5.046 -8.618 430 HG2 GLU 527 1HG GLU 527 -8.348 -2.402 -9.079 431 HG3 GLU 527 2HG GLU 527 -6.646 -2.558 -9.510 432 H VAL 528 H VAL 528 -9.508 -1.783 -7.480 433 HA VAL 528 HA VAL 528 -11.926 -2.559 -6.398 434 HB VAL 528 HB VAL 528 -12.994 -1.040 -8.076 435 HG11 VAL 528 1HG1 VAL 528 -11.411 -0.442 -5.922 436 HG12 VAL 528 2HG1 VAL 528 -10.736 0.583 -7.188 437 HG13 VAL 528 3HG1 VAL 528 -12.448 0.698 -6.778 438 HG21 VAL 528 1HG2 VAL 528 -11.464 -1.520 -9.941 439 HG22 VAL 528 2HG2 VAL 528 -11.584 0.208 -9.612 440 HG23 VAL 528 3HG2 VAL 528 -10.167 -0.695 -9.075 441 H GLN 529 H GLN 529 -10.404 -3.614 -9.335 442 HA GLN 529 HA GLN 529 -12.807 -5.185 -10.000 443 HB2 GLN 529 1HB GLN 529 -10.821 -3.759 -11.679 444 HB3 GLN 529 2HB GLN 529 -11.384 -5.314 -12.280 445 HG2 GLN 529 1HG GLN 529 -13.298 -3.181 -11.406 446 HG3 GLN 529 2HG GLN 529 -12.620 -3.214 -13.033 447 HE21 GLN 529 1HE2 GLN 529 -15.860 -5.273 -12.352 448 HE22 GLN 529 2HE2 GLN 529 -15.305 -3.878 -11.498 449 H MET 530 H MET 530 -12.093 -7.188 -11.408 450 HA MET 530 HA MET 530 -10.591 -8.864 -9.669 451 HB2 MET 530 1HB MET 530 -12.501 -9.325 -11.529 452 HB3 MET 530 2HB MET 530 -11.069 -9.781 -12.441 453 HG2 MET 530 1HG MET 530 -11.553 -10.859 -9.694 454 HG3 MET 530 2HG MET 530 -12.316 -11.583 -11.107 455 HE1 MET 530 1HE MET 530 -11.302 -13.911 -11.248 456 HE2 MET 530 2HE MET 530 -9.655 -14.283 -10.738 457 HE3 MET 530 3HE MET 530 -10.802 -13.594 -9.587 Start of MODEL 19 1 H1 MET 470 H MET 470 -17.733 11.328 -6.122 2 HA MET 470 HA MET 470 -15.451 10.069 -5.744 3 HB2 MET 470 1HB MET 470 -17.881 8.966 -7.141 4 HB3 MET 470 2HB MET 470 -16.518 7.946 -6.701 5 HG2 MET 470 1HG MET 470 -16.899 8.182 -4.434 6 HG3 MET 470 2HG MET 470 -17.830 9.665 -4.644 7 HE1 MET 470 1HE MET 470 -19.625 9.468 -3.477 8 HE2 MET 470 2HE MET 470 -20.823 9.406 -4.769 9 HE3 MET 470 3HE MET 470 -20.875 8.224 -3.460 10 H VAL 471 H VAL 471 -14.084 8.583 -6.974 11 HA VAL 471 HA VAL 471 -13.694 9.521 -9.742 12 HB VAL 471 HB VAL 471 -11.811 10.194 -8.440 13 HG11 VAL 471 1HG1 VAL 471 -12.269 7.669 -7.090 14 HG12 VAL 471 2HG1 VAL 471 -10.567 7.911 -7.488 15 HG13 VAL 471 3HG1 VAL 471 -11.428 9.114 -6.528 16 HG21 VAL 471 1HG2 VAL 471 -10.289 9.524 -9.939 17 HG22 VAL 471 2HG2 VAL 471 -10.495 7.822 -9.526 18 HG23 VAL 471 3HG2 VAL 471 -11.605 8.596 -10.657 19 HA PRO 472 HA PRO 472 -14.840 5.082 -10.125 20 HB2 PRO 472 1HB PRO 472 -16.143 5.408 -12.483 21 HB3 PRO 472 2HB PRO 472 -16.911 5.683 -10.915 22 HG2 PRO 472 1HG PRO 472 -15.750 7.669 -12.830 23 HG3 PRO 472 2HG PRO 472 -17.262 7.757 -11.907 24 HD2 PRO 472 1HD PRO 472 -15.010 9.050 -11.139 25 HD3 PRO 472 2HD PRO 472 -16.192 8.417 -9.975 26 H GLY 473 H GLY 473 -12.573 4.649 -10.447 27 HA2 GLY 473 1HA GLY 473 -11.974 3.862 -13.125 28 HA3 GLY 473 2HA GLY 473 -11.036 5.272 -12.652 29 H ARG 474 H ARG 474 -9.038 4.659 -12.177 30 HA ARG 474 HA ARG 474 -8.458 2.025 -11.177 31 HB2 ARG 474 1HB ARG 474 -7.045 3.934 -12.608 32 HB3 ARG 474 2HB ARG 474 -6.271 3.948 -11.029 33 HG2 ARG 474 1HG ARG 474 -5.155 2.405 -12.528 34 HG3 ARG 474 2HG ARG 474 -5.904 1.538 -11.186 35 HD2 ARG 474 1HD ARG 474 -7.181 0.349 -12.569 36 HD3 ARG 474 2HD ARG 474 -7.727 1.800 -13.408 37 HE ARG 474 HE ARG 474 -5.661 -0.013 -14.244 38 HH11 ARG 474 1HH1 ARG 474 -6.139 3.545 -16.016 39 HH12 ARG 474 2HH1 ARG 474 -6.887 3.237 -14.483 40 HH21 ARG 474 1HH2 ARG 474 -4.881 1.920 -17.026 41 HH22 ARG 474 2HH2 ARG 474 -4.673 0.380 -16.262 42 H LYS 475 H LYS 475 -9.207 1.733 -9.133 43 HA LYS 475 HA LYS 475 -7.948 3.364 -7.045 44 HB2 LYS 475 1HB LYS 475 -10.078 4.323 -7.021 45 HB3 LYS 475 2HB LYS 475 -10.875 2.800 -7.390 46 HG2 LYS 475 1HG LYS 475 -10.774 2.062 -5.210 47 HG3 LYS 475 2HG LYS 475 -9.418 3.117 -4.805 48 HD2 LYS 475 1HD LYS 475 -12.185 4.124 -5.446 49 HD3 LYS 475 2HD LYS 475 -11.620 3.790 -3.807 50 HE2 LYS 475 1HE LYS 475 -9.743 5.389 -4.218 51 HE3 LYS 475 2HE LYS 475 -10.506 5.806 -5.752 52 HZ1 LYS 475 1HZ LYS 475 -11.065 6.825 -3.208 53 HZ2 LYS 475 2HZ LYS 475 -12.435 5.983 -3.733 54 HZ3 LYS 475 3HZ LYS 475 -11.793 7.231 -4.680 55 H PHE 476 H PHE 476 -7.516 2.285 -5.114 56 HA PHE 476 HA PHE 476 -8.012 -0.618 -5.136 57 HB2 PHE 476 1HB PHE 476 -5.465 0.884 -4.759 58 HB3 PHE 476 2HB PHE 476 -5.709 -0.569 -3.796 59 HD1 PHE 476 1HD PHE 476 -5.841 0.647 -7.309 60 HD2 PHE 476 2HD PHE 476 -5.171 -2.633 -4.682 61 HE1 PHE 476 1HE PHE 476 -5.125 -0.730 -9.218 62 HE2 PHE 476 2HE PHE 476 -4.453 -4.016 -6.586 63 HZ PHE 476 HZ PHE 476 -4.428 -3.065 -8.857 64 H ILE 477 H ILE 477 -7.876 -1.626 -2.979 65 HA ILE 477 HA ILE 477 -8.428 0.224 -0.769 66 HB ILE 477 HB ILE 477 -10.589 -0.579 -1.742 67 HG12 ILE 477 1HG1 ILE 477 -11.261 -1.673 0.633 68 HG13 ILE 477 2HG1 ILE 477 -9.710 -0.960 1.063 69 HG21 ILE 477 1HG2 ILE 477 -11.261 -2.885 -1.404 70 HG22 ILE 477 2HG2 ILE 477 -9.813 -2.812 -2.408 71 HG23 ILE 477 3HG2 ILE 477 -9.686 -3.263 -0.708 72 HD11 ILE 477 1HD1 ILE 477 -10.981 0.833 1.511 73 HD12 ILE 477 2HD1 ILE 477 -10.838 1.110 -0.225 74 HD13 ILE 477 3HD1 ILE 477 -12.275 0.323 0.426 75 H ALA 478 H ALA 478 -7.550 -0.363 1.135 76 HA ALA 478 HA ALA 478 -5.737 -2.583 1.187 77 HB1 ALA 478 1HB ALA 478 -5.914 -1.638 3.780 78 HB2 ALA 478 2HB ALA 478 -4.753 -1.127 2.555 79 HB3 ALA 478 3HB ALA 478 -6.247 -0.220 2.787 80 H VAL 479 H VAL 479 -5.944 -4.524 2.170 81 HA VAL 479 HA VAL 479 -8.559 -5.125 3.382 82 HB VAL 479 HB VAL 479 -7.932 -7.536 2.878 83 HG11 VAL 479 1HG1 VAL 479 -8.082 -6.280 0.240 84 HG12 VAL 479 2HG1 VAL 479 -9.205 -7.382 1.041 85 HG13 VAL 479 3HG1 VAL 479 -9.253 -5.656 1.401 86 HG21 VAL 479 1HG2 VAL 479 -5.482 -6.444 2.265 87 HG22 VAL 479 2HG2 VAL 479 -6.024 -8.067 1.838 88 HG23 VAL 479 3HG2 VAL 479 -6.191 -6.748 0.679 89 H LYS 480 H LYS 480 -5.201 -4.919 3.978 90 HA LYS 480 HA LYS 480 -5.610 -6.067 6.652 91 HB2 LYS 480 1HB LYS 480 -2.991 -6.398 5.222 92 HB3 LYS 480 2HB LYS 480 -3.620 -7.296 6.599 93 HG2 LYS 480 1HG LYS 480 -4.662 -7.473 3.778 94 HG3 LYS 480 2HG LYS 480 -3.585 -8.638 4.554 95 HD2 LYS 480 1HD LYS 480 -6.002 -8.051 6.094 96 HD3 LYS 480 2HD LYS 480 -6.321 -8.781 4.518 97 HE2 LYS 480 1HE LYS 480 -6.088 -10.619 5.925 98 HE3 LYS 480 2HE LYS 480 -4.498 -10.476 5.176 99 HZ1 LYS 480 1HZ LYS 480 -4.651 -10.811 7.703 100 HZ2 LYS 480 2HZ LYS 480 -5.052 -9.169 7.760 101 HZ3 LYS 480 3HZ LYS 480 -3.568 -9.654 7.110 102 H ALA 481 H ALA 481 -3.325 -5.550 7.884 103 HA ALA 481 HA ALA 481 -3.041 -2.629 7.646 104 HB1 ALA 481 1HB ALA 481 -2.616 -4.392 10.057 105 HB2 ALA 481 2HB ALA 481 -2.422 -2.638 10.014 106 HB3 ALA 481 3HB ALA 481 -4.012 -3.357 9.758 107 H HIS 482 H HIS 482 -0.989 -1.680 7.818 108 HA HIS 482 HA HIS 482 1.392 -3.200 8.161 109 HB2 HIS 482 1HB HIS 482 0.973 -4.010 5.944 110 HB3 HIS 482 2HB HIS 482 0.613 -2.388 5.358 111 HD1 HIS 482 1HD HIS 482 3.390 -4.741 5.952 112 HD2 HIS 482 2HD HIS 482 2.917 -0.713 5.052 113 HE1 HIS 482 1HE HIS 482 5.653 -3.951 5.190 114 H SER 483 H SER 483 2.547 -1.783 9.279 115 HA SER 483 HA SER 483 2.249 1.065 8.824 116 HB2 SER 483 1HB SER 483 4.338 0.397 10.702 117 HB3 SER 483 2HB SER 483 2.809 1.228 10.988 118 HG SER 483 HG SER 483 3.464 -1.462 11.288 119 HA PRO 484 HA PRO 484 5.847 1.776 6.417 120 HB2 PRO 484 1HB PRO 484 6.841 4.059 7.496 121 HB3 PRO 484 2HB PRO 484 5.364 4.020 6.525 122 HG2 PRO 484 1HG PRO 484 5.672 4.075 9.502 123 HG3 PRO 484 2HG PRO 484 4.539 4.976 8.478 124 HD2 PRO 484 1HD PRO 484 3.817 2.751 9.841 125 HD3 PRO 484 2HD PRO 484 3.102 3.186 8.275 126 H GLN 485 H GLN 485 7.275 0.116 6.828 127 HA GLN 485 HA GLN 485 8.656 -0.512 9.089 128 HB2 GLN 485 1HB GLN 485 9.003 -0.982 6.245 129 HB3 GLN 485 2HB GLN 485 10.550 -0.885 7.078 130 HG2 GLN 485 1HG GLN 485 9.482 -3.177 6.857 131 HG3 GLN 485 2HG GLN 485 10.056 -2.703 8.454 132 HE21 GLN 485 1HE2 GLN 485 6.008 -2.523 7.870 133 HE22 GLN 485 2HE2 GLN 485 7.097 -1.933 6.665 134 H GLY 486 H GLY 486 9.384 2.062 6.804 135 HA2 GLY 486 1HA GLY 486 10.751 3.636 8.675 136 HA3 GLY 486 2HA GLY 486 11.948 2.727 7.765 137 H GLU 487 H GLU 487 11.816 2.913 5.369 138 HA GLU 487 HA GLU 487 10.782 5.545 4.548 139 HB2 GLU 487 1HB GLU 487 12.836 5.585 2.995 140 HB3 GLU 487 2HB GLU 487 13.077 5.959 4.694 141 HG2 GLU 487 1HG GLU 487 14.393 4.188 5.025 142 HG3 GLU 487 2HG GLU 487 13.374 3.125 4.057 143 H GLY 488 H GLY 488 10.229 5.756 2.318 144 HA2 GLY 488 1HA GLY 488 9.310 5.039 0.340 145 HA3 GLY 488 2HA GLY 488 10.409 3.671 0.435 146 H GLU 489 H GLU 489 8.045 4.351 2.918 147 HA GLU 489 HA GLU 489 6.237 2.312 1.873 148 HB2 GLU 489 1HB GLU 489 7.497 2.142 4.616 149 HB3 GLU 489 2HB GLU 489 6.212 1.101 4.021 150 HG2 GLU 489 1HG GLU 489 7.853 0.510 2.133 151 HG3 GLU 489 2HG GLU 489 9.081 1.209 3.187 152 H ILE 490 H ILE 490 4.143 2.358 2.803 153 HA ILE 490 HA ILE 490 3.581 4.719 4.470 154 HB ILE 490 HB ILE 490 1.357 4.813 3.182 155 HG12 ILE 490 1HG1 ILE 490 3.058 3.304 1.185 156 HG13 ILE 490 2HG1 ILE 490 1.621 2.682 1.991 157 HG21 ILE 490 1HG2 ILE 490 2.348 6.258 1.450 158 HG22 ILE 490 2HG2 ILE 490 3.028 6.555 3.049 159 HG23 ILE 490 3HG2 ILE 490 3.941 5.625 1.861 160 HD11 ILE 490 1HD1 ILE 490 0.434 3.426 0.283 161 HD12 ILE 490 2HD1 ILE 490 0.830 5.071 0.781 162 HD13 ILE 490 3HD1 ILE 490 1.840 4.241 -0.402 163 HA PRO 491 HA PRO 491 1.220 2.084 7.069 164 HB2 PRO 491 1HB PRO 491 -0.752 3.760 7.888 165 HB3 PRO 491 2HB PRO 491 0.920 3.899 8.444 166 HG2 PRO 491 1HG PRO 491 -0.500 5.446 6.311 167 HG3 PRO 491 2HG PRO 491 0.607 6.029 7.568 168 HD2 PRO 491 1HD PRO 491 1.392 5.622 5.008 169 HD3 PRO 491 2HD PRO 491 2.482 5.388 6.390 170 H LEU 492 H LEU 492 -0.602 0.779 7.125 171 HA LEU 492 HA LEU 492 -2.673 1.261 5.101 172 HB2 LEU 492 1HB LEU 492 -0.976 -1.178 5.450 173 HB3 LEU 492 2HB LEU 492 -2.611 -1.318 4.807 174 HG LEU 492 HG LEU 492 -0.298 0.186 3.592 175 HD11 LEU 492 1HD1 LEU 492 -0.023 -2.070 3.082 176 HD12 LEU 492 2HD1 LEU 492 -0.895 -1.430 1.688 177 HD13 LEU 492 3HD1 LEU 492 -1.759 -2.345 2.924 178 HD21 LEU 492 1HD2 LEU 492 -1.814 1.513 2.647 179 HD22 LEU 492 2HD2 LEU 492 -3.151 0.560 3.290 180 HD23 LEU 492 3HD2 LEU 492 -2.389 0.096 1.768 181 H HIS 493 H HIS 493 -4.718 0.532 5.624 182 HA HIS 493 HA HIS 493 -5.105 -0.960 8.095 183 HB2 HIS 493 1HB HIS 493 -5.553 1.905 7.847 184 HB3 HIS 493 2HB HIS 493 -7.018 1.048 8.320 185 HD1 HIS 493 1HD HIS 493 -7.176 0.275 10.706 186 HD2 HIS 493 2HD HIS 493 -3.360 1.568 9.691 187 HE1 HIS 493 1HE HIS 493 -5.892 0.343 12.868 188 H ARG 494 H ARG 494 -6.846 -2.272 8.022 189 HA ARG 494 HA ARG 494 -8.081 -2.946 5.661 190 HB2 ARG 494 1HB ARG 494 -9.870 -3.986 7.133 191 HB3 ARG 494 2HB ARG 494 -8.214 -4.481 7.455 192 HG2 ARG 494 1HG ARG 494 -8.107 -2.969 9.353 193 HG3 ARG 494 2HG ARG 494 -9.748 -2.413 9.015 194 HD2 ARG 494 1HD ARG 494 -10.704 -4.401 9.701 195 HD3 ARG 494 2HD ARG 494 -9.229 -5.325 9.420 196 HE ARG 494 HE ARG 494 -8.542 -4.813 11.544 197 HH11 ARG 494 1HH1 ARG 494 -11.358 -2.056 12.245 198 HH12 ARG 494 2HH1 ARG 494 -11.180 -2.723 10.655 199 HH21 ARG 494 1HH2 ARG 494 -9.984 -2.750 13.942 200 HH22 ARG 494 2HH2 ARG 494 -8.766 -3.943 13.641 201 H GLY 495 H GLY 495 -9.422 -1.870 4.380 202 HA2 GLY 495 1HA GLY 495 -11.554 -0.872 3.972 203 HA3 GLY 495 2HA GLY 495 -11.523 -0.216 5.602 204 H GLU 496 H GLU 496 -8.504 0.228 4.375 205 HA GLU 496 HA GLU 496 -8.954 3.045 3.994 206 HB2 GLU 496 1HB GLU 496 -6.552 1.265 4.090 207 HB3 GLU 496 2HB GLU 496 -6.397 2.873 3.398 208 HG2 GLU 496 1HG GLU 496 -7.533 3.646 5.600 209 HG3 GLU 496 2HG GLU 496 -7.010 2.075 6.205 210 H ALA 497 H ALA 497 -8.340 4.243 2.114 211 HA ALA 497 HA ALA 497 -8.860 2.757 -0.357 212 HB1 ALA 497 1HB ALA 497 -8.828 5.440 -1.008 213 HB2 ALA 497 2HB ALA 497 -10.257 4.460 -0.682 214 HB3 ALA 497 3HB ALA 497 -9.525 5.409 0.611 215 H VAL 498 H VAL 498 -7.006 1.986 -1.187 216 HA VAL 498 HA VAL 498 -4.621 3.688 -1.199 217 HB VAL 498 HB VAL 498 -4.631 0.885 -2.243 218 HG11 VAL 498 1HG1 VAL 498 -2.631 2.328 -2.436 219 HG12 VAL 498 2HG1 VAL 498 -2.587 2.453 -0.676 220 HG13 VAL 498 3HG1 VAL 498 -2.351 0.888 -1.456 221 HG21 VAL 498 1HG2 VAL 498 -5.586 0.260 -0.280 222 HG22 VAL 498 2HG2 VAL 498 -3.924 0.419 0.288 223 HG23 VAL 498 3HG2 VAL 498 -5.079 1.724 0.561 224 H LYS 499 H LYS 499 -3.396 3.985 -3.133 225 HA LYS 499 HA LYS 499 -4.907 3.587 -5.626 226 HB2 LYS 499 1HB LYS 499 -4.757 6.015 -4.497 227 HB3 LYS 499 2HB LYS 499 -3.237 6.032 -5.380 228 HG2 LYS 499 1HG LYS 499 -4.637 6.948 -6.932 229 HG3 LYS 499 2HG LYS 499 -4.743 5.242 -7.373 230 HD2 LYS 499 1HD LYS 499 -6.968 5.862 -7.332 231 HD3 LYS 499 2HD LYS 499 -6.744 5.215 -5.705 232 HE2 LYS 499 1HE LYS 499 -7.924 7.239 -5.437 233 HE3 LYS 499 2HE LYS 499 -6.259 7.591 -4.976 234 HZ1 LYS 499 1HZ LYS 499 -6.289 8.144 -7.623 235 HZ2 LYS 499 2HZ LYS 499 -6.444 9.288 -6.388 236 HZ3 LYS 499 3HZ LYS 499 -7.825 8.660 -7.136 237 H VAL 500 H VAL 500 -3.676 1.949 -6.429 238 HA VAL 500 HA VAL 500 -0.864 1.791 -6.258 239 HB VAL 500 HB VAL 500 -2.742 0.487 -8.233 240 HG11 VAL 500 1HG1 VAL 500 -0.862 -0.038 -9.328 241 HG12 VAL 500 2HG1 VAL 500 0.170 0.454 -7.984 242 HG13 VAL 500 3HG1 VAL 500 -0.562 -1.151 -7.994 243 HG21 VAL 500 1HG2 VAL 500 -1.475 -0.667 -5.755 244 HG22 VAL 500 2HG2 VAL 500 -3.115 -0.020 -5.814 245 HG23 VAL 500 3HG2 VAL 500 -2.684 -1.423 -6.793 246 H LEU 501 H LEU 501 0.733 2.580 -7.503 247 HA LEU 501 HA LEU 501 -0.003 3.958 -9.998 248 HB2 LEU 501 1HB LEU 501 1.353 4.997 -7.613 249 HB3 LEU 501 2HB LEU 501 2.166 5.363 -9.134 250 HG LEU 501 HG LEU 501 -0.065 6.303 -9.921 251 HD11 LEU 501 1HD1 LEU 501 -1.523 7.097 -8.047 252 HD12 LEU 501 2HD1 LEU 501 -0.633 6.013 -6.978 253 HD13 LEU 501 3HD1 LEU 501 -1.557 5.355 -8.328 254 HD21 LEU 501 1HD2 LEU 501 0.590 8.087 -7.754 255 HD22 LEU 501 2HD2 LEU 501 0.870 8.272 -9.487 256 HD23 LEU 501 3HD2 LEU 501 2.051 7.423 -8.486 257 H SER 502 H SER 502 2.666 2.579 -8.102 258 HA SER 502 HA SER 502 3.904 1.734 -10.638 259 HB2 SER 502 1HB SER 502 5.078 3.110 -8.290 260 HB3 SER 502 2HB SER 502 6.041 1.807 -8.985 261 HG SER 502 HG SER 502 6.610 3.257 -10.391 262 H ILE 503 H ILE 503 5.391 -0.160 -10.359 263 HA ILE 503 HA ILE 503 4.418 -1.983 -8.261 264 HB ILE 503 HB ILE 503 4.989 -2.731 -11.131 265 HG12 ILE 503 1HG1 ILE 503 2.880 -1.497 -10.879 266 HG13 ILE 503 2HG1 ILE 503 2.582 -3.185 -11.278 267 HG21 ILE 503 1HG2 ILE 503 5.415 -4.730 -10.210 268 HG22 ILE 503 2HG2 ILE 503 4.680 -4.285 -8.671 269 HG23 ILE 503 3HG2 ILE 503 3.666 -4.832 -10.006 270 HD11 ILE 503 1HD1 ILE 503 2.450 -2.046 -8.498 271 HD12 ILE 503 2HD1 ILE 503 1.060 -2.278 -9.559 272 HD13 ILE 503 3HD1 ILE 503 1.991 -3.671 -9.008 273 H GLY 504 H GLY 504 5.900 -3.424 -7.399 274 HA2 GLY 504 1HA GLY 504 8.707 -2.765 -7.980 275 HA3 GLY 504 2HA GLY 504 8.113 -3.477 -6.488 276 H GLU 505 H GLU 505 8.029 -5.661 -6.284 277 HA GLU 505 HA GLU 505 8.689 -7.261 -8.664 278 HB2 GLU 505 1HB GLU 505 9.975 -8.751 -7.002 279 HB3 GLU 505 2HB GLU 505 10.731 -7.255 -7.530 280 HG2 GLU 505 1HG GLU 505 10.665 -6.339 -5.482 281 HG3 GLU 505 2HG GLU 505 9.097 -7.044 -5.098 282 H GLY 506 H GLY 506 6.177 -7.223 -8.362 283 HA2 GLY 506 1HA GLY 506 4.254 -8.358 -7.812 284 HA3 GLY 506 2HA GLY 506 5.296 -9.774 -7.826 285 H GLY 507 H GLY 507 5.049 -6.969 -5.637 286 HA2 GLY 507 1HA GLY 507 3.848 -8.383 -3.514 287 HA3 GLY 507 2HA GLY 507 5.593 -8.416 -3.306 288 H PHE 508 H PHE 508 6.032 -5.801 -4.474 289 HA PHE 508 HA PHE 508 4.781 -4.094 -2.427 290 HB2 PHE 508 1HB PHE 508 7.460 -4.811 -2.503 291 HB3 PHE 508 2HB PHE 508 7.439 -3.217 -3.249 292 HD1 PHE 508 1HD PHE 508 8.111 -1.622 -1.749 293 HD2 PHE 508 2HD PHE 508 5.549 -4.750 -0.418 294 HE1 PHE 508 1HE PHE 508 8.004 -0.583 0.479 295 HE2 PHE 508 2HE PHE 508 5.436 -3.714 1.810 296 HZ PHE 508 HZ PHE 508 6.664 -1.627 2.261 297 H TRP 509 H TRP 509 3.519 -2.668 -3.409 298 HA TRP 509 HA TRP 509 4.396 -1.555 -5.992 299 HB2 TRP 509 1HB TRP 509 1.560 -1.716 -4.959 300 HB3 TRP 509 2HB TRP 509 2.077 -1.226 -6.570 301 HD1 TRP 509 HD TRP 509 4.250 -3.853 -6.516 302 HE1 TRP 509 1HE TRP 509 3.245 -6.118 -7.211 303 HE3 TRP 509 3HE TRP 509 -0.705 -2.782 -5.852 304 HZ2 TRP 509 2HZ TRP 509 0.691 -7.296 -7.450 305 HZ3 TRP 509 3HZ TRP 509 -2.365 -4.533 -6.337 306 HH2 TRP 509 HH TRP 509 -1.680 -6.742 -7.119 307 H GLU 510 H GLU 510 4.218 0.661 -6.347 308 HA GLU 510 HA GLU 510 4.157 2.259 -3.900 309 HB2 GLU 510 1HB GLU 510 5.989 3.083 -4.912 310 HB3 GLU 510 2HB GLU 510 5.523 2.439 -6.479 311 HG2 GLU 510 1HG GLU 510 5.672 4.832 -6.600 312 HG3 GLU 510 2HG GLU 510 3.992 4.335 -6.785 313 H GLY 511 H GLY 511 2.549 3.617 -3.412 314 HA2 GLY 511 1HA GLY 511 0.892 4.811 -5.451 315 HA3 GLY 511 2HA GLY 511 0.062 3.592 -4.496 316 H THR 512 H THR 512 -1.323 5.453 -3.947 317 HA THR 512 HA THR 512 -0.193 6.933 -1.663 318 HB THR 512 HB THR 512 -2.221 8.007 -3.634 319 HG1 THR 512 1HG THR 512 -0.576 9.085 -4.525 320 HG21 THR 512 1HG2 THR 512 -2.111 10.063 -2.413 321 HG22 THR 512 2HG2 THR 512 -0.826 9.443 -1.376 322 HG23 THR 512 3HG2 THR 512 -2.455 8.776 -1.257 323 H VAL 513 H VAL 513 -1.413 7.018 0.164 324 HA VAL 513 HA VAL 513 -4.199 6.191 0.108 325 HB VAL 513 HB VAL 513 -2.727 4.114 0.384 326 HG11 VAL 513 1HG1 VAL 513 -1.522 3.752 2.292 327 HG12 VAL 513 2HG1 VAL 513 -1.316 5.497 2.135 328 HG13 VAL 513 3HG1 VAL 513 -2.510 4.847 3.258 329 HG21 VAL 513 1HG2 VAL 513 -5.011 4.951 2.088 330 HG22 VAL 513 2HG2 VAL 513 -4.913 3.675 0.876 331 HG23 VAL 513 3HG2 VAL 513 -4.206 3.429 2.472 332 H LYS 514 H LYS 514 -5.387 7.166 1.654 333 HA LYS 514 HA LYS 514 -5.926 8.676 3.271 334 HB2 LYS 514 1HB LYS 514 -3.501 7.612 4.719 335 HB3 LYS 514 2HB LYS 514 -4.942 8.331 5.428 336 HG2 LYS 514 1HG LYS 514 -4.873 5.725 3.921 337 HG3 LYS 514 2HG LYS 514 -4.873 5.889 5.678 338 HD2 LYS 514 1HD LYS 514 -7.028 7.137 4.006 339 HD3 LYS 514 2HD LYS 514 -7.113 5.440 4.480 340 HE2 LYS 514 1HE LYS 514 -8.254 6.411 6.213 341 HE3 LYS 514 2HE LYS 514 -6.617 6.416 6.868 342 HZ1 LYS 514 1HZ LYS 514 -8.221 8.574 6.704 343 HZ2 LYS 514 2HZ LYS 514 -7.269 8.755 5.317 344 HZ3 LYS 514 3HZ LYS 514 -6.535 8.634 6.836 345 H GLY 515 H GLY 515 -3.947 9.447 1.175 346 HA2 GLY 515 1HA GLY 515 -3.171 11.634 0.745 347 HA3 GLY 515 2HA GLY 515 -3.075 11.915 2.477 348 H ARG 516 H ARG 516 -1.651 9.293 2.810 349 HA ARG 516 HA ARG 516 1.001 10.338 2.549 350 HB2 ARG 516 1HB ARG 516 0.023 7.605 3.392 351 HB3 ARG 516 2HB ARG 516 1.690 8.152 3.507 352 HG2 ARG 516 1HG ARG 516 1.053 8.624 5.618 353 HG3 ARG 516 2HG ARG 516 0.513 10.124 4.862 354 HD2 ARG 516 1HD ARG 516 -1.725 9.428 4.820 355 HD3 ARG 516 2HD ARG 516 -1.293 7.741 5.093 356 HE ARG 516 HE ARG 516 -1.361 8.150 7.332 357 HH11 ARG 516 1HH1 ARG 516 -1.042 12.135 7.105 358 HH12 ARG 516 2HH1 ARG 516 -0.923 11.176 5.666 359 HH21 ARG 516 1HH2 ARG 516 -1.381 11.124 9.133 360 HH22 ARG 516 2HH2 ARG 516 -1.521 9.402 9.233 361 H THR 517 H THR 517 2.723 9.458 1.337 362 HA THR 517 HA THR 517 1.888 7.849 -0.988 363 HB THR 517 HB THR 517 3.959 10.054 -1.001 364 HG1 THR 517 1HG THR 517 1.224 9.986 -1.609 365 HG21 THR 517 1HG2 THR 517 3.393 9.631 -3.581 366 HG22 THR 517 2HG2 THR 517 3.102 8.004 -2.964 367 HG23 THR 517 3HG2 THR 517 4.677 8.766 -2.736 368 H GLY 518 H GLY 518 3.177 6.170 -1.578 369 HA2 GLY 518 1HA GLY 518 5.837 5.748 -1.253 370 HA3 GLY 518 2HA GLY 518 5.179 5.324 0.321 371 H TRP 519 H TRP 519 6.134 3.207 -0.253 372 HA TRP 519 HA TRP 519 4.546 1.677 -2.181 373 HB2 TRP 519 1HB TRP 519 7.052 0.870 -0.689 374 HB3 TRP 519 2HB TRP 519 6.270 -0.041 -1.978 375 HD1 TRP 519 HD TRP 519 7.975 3.416 -1.510 376 HE1 TRP 519 1HE TRP 519 9.157 4.017 -3.716 377 HE3 TRP 519 3HE TRP 519 6.514 -0.589 -4.332 378 HZ2 TRP 519 2HZ TRP 519 9.433 2.938 -6.309 379 HZ3 TRP 519 3HZ TRP 519 7.279 -0.729 -6.666 380 HH2 TRP 519 HH TRP 519 8.709 0.998 -7.633 381 H PHE 520 H PHE 520 3.754 -0.451 -1.584 382 HA PHE 520 HA PHE 520 3.479 -1.053 1.233 383 HB2 PHE 520 1HB PHE 520 0.964 -1.175 1.045 384 HB3 PHE 520 2HB PHE 520 1.636 0.452 1.047 385 HD1 PHE 520 1HD PHE 520 1.364 1.897 -0.806 386 HD2 PHE 520 2HD PHE 520 0.164 -2.176 -1.074 387 HE1 PHE 520 1HE PHE 520 0.190 2.386 -2.912 388 HE2 PHE 520 2HE PHE 520 -1.011 -1.696 -3.181 389 HZ PHE 520 HZ PHE 520 -0.998 0.588 -4.105 390 HA PRO 521 HA PRO 521 3.377 -5.193 -0.217 391 HB2 PRO 521 1HB PRO 521 1.868 -6.400 1.689 392 HB3 PRO 521 2HB PRO 521 3.521 -5.847 1.981 393 HG2 PRO 521 1HG PRO 521 0.929 -4.524 2.682 394 HG3 PRO 521 2HG PRO 521 2.403 -4.683 3.655 395 HD2 PRO 521 1HD PRO 521 1.773 -2.409 2.327 396 HD3 PRO 521 2HD PRO 521 3.451 -2.931 2.584 397 H ALA 522 H ALA 522 2.294 -5.703 -2.017 398 HA ALA 522 HA ALA 522 -0.333 -5.031 -2.636 399 HB1 ALA 522 1HB ALA 522 1.403 -5.726 -4.269 400 HB2 ALA 522 2HB ALA 522 1.190 -7.393 -3.729 401 HB3 ALA 522 3HB ALA 522 -0.148 -6.537 -4.498 402 H ASP 523 H ASP 523 0.922 -7.678 -0.778 403 HA ASP 523 HA ASP 523 -1.332 -9.393 -0.954 404 HB2 ASP 523 1HB ASP 523 1.094 -9.865 -0.098 405 HB3 ASP 523 2HB ASP 523 0.456 -9.326 1.453 406 H CYS 524 H CYS 524 -0.953 -6.397 0.484 407 HA CYS 524 HA CYS 524 -3.117 -6.927 2.411 408 HB2 CYS 524 1HB CYS 524 -1.070 -4.699 2.436 409 HB3 CYS 524 2HB CYS 524 -2.339 -4.937 3.630 410 HG CYS 524 HG CYS 524 -1.294 -7.445 4.465 411 H VAL 525 H VAL 525 -2.880 -6.006 -0.594 412 HA VAL 525 HA VAL 525 -5.005 -3.993 -0.346 413 HB VAL 525 HB VAL 525 -4.111 -2.605 -2.045 414 HG11 VAL 525 1HG1 VAL 525 -2.964 -2.772 0.353 415 HG12 VAL 525 2HG1 VAL 525 -1.558 -3.154 -0.644 416 HG13 VAL 525 3HG1 VAL 525 -2.421 -1.633 -0.879 417 HG21 VAL 525 1HG2 VAL 525 -1.616 -3.531 -2.762 418 HG22 VAL 525 2HG2 VAL 525 -2.600 -4.994 -2.738 419 HG23 VAL 525 3HG2 VAL 525 -3.079 -3.626 -3.744 420 H GLU 526 H GLU 526 -6.436 -3.876 -2.162 421 HA GLU 526 HA GLU 526 -6.228 -5.944 -4.192 422 HB2 GLU 526 1HB GLU 526 -8.077 -6.073 -1.906 423 HB3 GLU 526 2HB GLU 526 -8.836 -6.311 -3.474 424 HG2 GLU 526 1HG GLU 526 -6.358 -7.826 -2.838 425 HG3 GLU 526 2HG GLU 526 -7.881 -8.329 -2.108 426 H GLU 527 H GLU 527 -7.232 -5.410 -6.075 427 HA GLU 527 HA GLU 527 -7.815 -2.776 -6.663 428 HB2 GLU 527 1HB GLU 527 -8.969 -5.186 -8.073 429 HB3 GLU 527 2HB GLU 527 -8.768 -3.575 -8.746 430 HG2 GLU 527 1HG GLU 527 -6.585 -3.875 -9.173 431 HG3 GLU 527 2HG GLU 527 -6.318 -4.821 -7.710 432 H VAL 528 H VAL 528 -9.872 -1.803 -7.341 433 HA VAL 528 HA VAL 528 -11.733 -1.585 -5.372 434 HB VAL 528 HB VAL 528 -13.374 -0.924 -7.241 435 HG11 VAL 528 1HG1 VAL 528 -12.588 1.050 -6.592 436 HG12 VAL 528 2HG1 VAL 528 -11.016 0.350 -6.200 437 HG13 VAL 528 3HG1 VAL 528 -11.350 0.914 -7.838 438 HG21 VAL 528 1HG2 VAL 528 -12.304 -2.273 -9.000 439 HG22 VAL 528 2HG2 VAL 528 -12.407 -0.567 -9.438 440 HG23 VAL 528 3HG2 VAL 528 -10.873 -1.248 -8.897 441 H GLN 529 H GLN 529 -12.946 -3.074 -4.418 442 HA GLN 529 HA GLN 529 -13.555 -5.591 -5.524 443 HB2 GLN 529 1HB GLN 529 -14.984 -4.201 -3.253 444 HB3 GLN 529 2HB GLN 529 -14.951 -5.930 -3.573 445 HG2 GLN 529 1HG GLN 529 -12.984 -6.200 -2.559 446 HG3 GLN 529 2HG GLN 529 -12.300 -4.750 -3.293 447 HE21 GLN 529 1HE2 GLN 529 -13.780 -2.659 -0.663 448 HE22 GLN 529 2HE2 GLN 529 -13.864 -2.770 -2.386 449 H MET 530 H MET 530 -14.972 -2.542 -5.993 450 HA MET 530 HA MET 530 -17.652 -3.351 -6.498 451 HB2 MET 530 1HB MET 530 -16.076 -0.906 -7.301 452 HB3 MET 530 2HB MET 530 -17.774 -1.124 -7.706 453 HG2 MET 530 1HG MET 530 -18.443 -1.006 -5.475 454 HG3 MET 530 2HG MET 530 -16.812 -1.297 -4.877 455 HE1 MET 530 1HE MET 530 -14.791 1.008 -5.049 456 HE2 MET 530 2HE MET 530 -15.716 1.932 -3.864 457 HE3 MET 530 3HE MET 530 -15.703 0.169 -3.793 Start of MODEL 20 1 H1 MET 470 H MET 470 -15.061 -2.108 -18.601 2 HA MET 470 HA MET 470 -12.323 -2.622 -17.820 3 HB2 MET 470 1HB MET 470 -11.383 -0.766 -19.120 4 HB3 MET 470 2HB MET 470 -12.045 -2.013 -20.169 5 HG2 MET 470 1HG MET 470 -13.793 0.268 -19.432 6 HG3 MET 470 2HG MET 470 -12.493 0.548 -20.589 7 HE1 MET 470 1HE MET 470 -16.224 0.230 -21.103 8 HE2 MET 470 2HE MET 470 -14.910 1.356 -21.442 9 HE3 MET 470 3HE MET 470 -15.648 0.440 -22.757 10 H VAL 471 H VAL 471 -11.517 -1.118 -16.335 11 HA VAL 471 HA VAL 471 -13.579 0.460 -15.019 12 HB VAL 471 HB VAL 471 -12.215 -0.981 -13.613 13 HG11 VAL 471 1HG1 VAL 471 -9.748 0.533 -13.728 14 HG12 VAL 471 2HG1 VAL 471 -10.008 -1.209 -13.822 15 HG13 VAL 471 3HG1 VAL 471 -10.132 -0.219 -15.276 16 HG21 VAL 471 1HG2 VAL 471 -11.413 0.729 -11.988 17 HG22 VAL 471 2HG2 VAL 471 -11.714 1.966 -13.209 18 HG23 VAL 471 3HG2 VAL 471 -13.053 1.012 -12.571 19 HA PRO 472 HA PRO 472 -12.189 4.253 -16.822 20 HB2 PRO 472 1HB PRO 472 -13.508 5.936 -15.150 21 HB3 PRO 472 2HB PRO 472 -14.316 5.028 -16.432 22 HG2 PRO 472 1HG PRO 472 -14.140 4.426 -13.505 23 HG3 PRO 472 2HG PRO 472 -15.538 4.305 -14.590 24 HD2 PRO 472 1HD PRO 472 -14.074 2.149 -13.854 25 HD3 PRO 472 2HD PRO 472 -14.861 2.272 -15.441 26 H GLY 473 H GLY 473 -12.218 4.057 -13.256 27 HA2 GLY 473 1HA GLY 473 -9.651 5.525 -13.270 28 HA3 GLY 473 2HA GLY 473 -10.858 5.702 -12.004 29 H ARG 474 H ARG 474 -7.950 4.701 -12.188 30 HA ARG 474 HA ARG 474 -8.167 1.978 -11.238 31 HB2 ARG 474 1HB ARG 474 -6.170 3.440 -12.475 32 HB3 ARG 474 2HB ARG 474 -5.597 3.297 -10.818 33 HG2 ARG 474 1HG ARG 474 -4.755 1.344 -11.487 34 HG3 ARG 474 2HG ARG 474 -6.411 0.751 -11.346 35 HD2 ARG 474 1HD ARG 474 -5.827 0.082 -13.482 36 HD3 ARG 474 2HD ARG 474 -6.659 1.607 -13.779 37 HE ARG 474 HE ARG 474 -3.946 2.165 -13.481 38 HH11 ARG 474 1HH1 ARG 474 -5.029 0.698 -17.045 39 HH12 ARG 474 2HH1 ARG 474 -6.045 0.449 -15.664 40 HH21 ARG 474 1HH2 ARG 474 -3.068 1.864 -16.831 41 HH22 ARG 474 2HH2 ARG 474 -2.599 2.501 -15.291 42 H LYS 475 H LYS 475 -8.970 1.695 -9.256 43 HA LYS 475 HA LYS 475 -7.822 3.297 -7.068 44 HB2 LYS 475 1HB LYS 475 -10.040 4.119 -7.316 45 HB3 LYS 475 2HB LYS 475 -10.697 2.499 -7.502 46 HG2 LYS 475 1HG LYS 475 -11.265 3.308 -5.328 47 HG3 LYS 475 2HG LYS 475 -10.062 2.029 -5.150 48 HD2 LYS 475 1HD LYS 475 -9.247 3.637 -3.711 49 HD3 LYS 475 2HD LYS 475 -8.363 4.009 -5.192 50 HE2 LYS 475 1HE LYS 475 -9.161 6.070 -4.312 51 HE3 LYS 475 2HE LYS 475 -10.149 5.688 -5.722 52 HZ1 LYS 475 1HZ LYS 475 -10.955 6.080 -3.037 53 HZ2 LYS 475 2HZ LYS 475 -11.427 4.543 -3.560 54 HZ3 LYS 475 3HZ LYS 475 -11.911 5.915 -4.422 55 H PHE 476 H PHE 476 -7.545 2.232 -5.079 56 HA PHE 476 HA PHE 476 -7.939 -0.679 -5.110 57 HB2 PHE 476 1HB PHE 476 -5.400 0.837 -4.746 58 HB3 PHE 476 2HB PHE 476 -5.644 -0.597 -3.754 59 HD1 PHE 476 1HD PHE 476 -5.231 -2.717 -4.616 60 HD2 PHE 476 2HD PHE 476 -5.623 0.587 -7.269 61 HE1 PHE 476 1HE PHE 476 -4.498 -4.138 -6.486 62 HE2 PHE 476 2HE PHE 476 -4.891 -0.828 -9.145 63 HZ PHE 476 HZ PHE 476 -4.328 -3.193 -8.755 64 H ILE 477 H ILE 477 -7.851 -1.661 -2.952 65 HA ILE 477 HA ILE 477 -8.405 0.216 -0.764 66 HB ILE 477 HB ILE 477 -10.561 -0.592 -1.748 67 HG12 ILE 477 1HG1 ILE 477 -11.261 -1.648 0.633 68 HG13 ILE 477 2HG1 ILE 477 -9.708 -0.942 1.070 69 HG21 ILE 477 1HG2 ILE 477 -11.243 -2.892 -1.388 70 HG22 ILE 477 2HG2 ILE 477 -9.783 -2.837 -2.374 71 HG23 ILE 477 3HG2 ILE 477 -9.677 -3.264 -0.667 72 HD11 ILE 477 1HD1 ILE 477 -10.938 0.883 1.468 73 HD12 ILE 477 2HD1 ILE 477 -10.839 1.108 -0.279 74 HD13 ILE 477 3HD1 ILE 477 -12.261 0.345 0.432 75 H ALA 478 H ALA 478 -7.546 -0.351 1.154 76 HA ALA 478 HA ALA 478 -5.746 -2.583 1.244 77 HB1 ALA 478 1HB ALA 478 -4.739 -1.207 2.663 78 HB2 ALA 478 2HB ALA 478 -6.160 -0.164 2.725 79 HB3 ALA 478 3HB ALA 478 -6.021 -1.530 3.830 80 H VAL 479 H VAL 479 -5.996 -4.521 2.207 81 HA VAL 479 HA VAL 479 -8.610 -5.073 3.445 82 HB VAL 479 HB VAL 479 -8.006 -7.498 2.959 83 HG11 VAL 479 1HG1 VAL 479 -9.150 -5.484 1.345 84 HG12 VAL 479 2HG1 VAL 479 -8.199 -6.524 0.284 85 HG13 VAL 479 3HG1 VAL 479 -9.459 -7.219 1.304 86 HG21 VAL 479 1HG2 VAL 479 -6.275 -6.708 0.744 87 HG22 VAL 479 2HG2 VAL 479 -5.552 -6.455 2.332 88 HG23 VAL 479 3HG2 VAL 479 -6.130 -8.056 1.871 89 H LYS 480 H LYS 480 -5.222 -4.978 3.995 90 HA LYS 480 HA LYS 480 -5.644 -6.093 6.686 91 HB2 LYS 480 1HB LYS 480 -3.019 -6.424 5.273 92 HB3 LYS 480 2HB LYS 480 -3.676 -7.344 6.621 93 HG2 LYS 480 1HG LYS 480 -4.590 -7.473 3.755 94 HG3 LYS 480 2HG LYS 480 -3.651 -8.692 4.620 95 HD2 LYS 480 1HD LYS 480 -6.004 -8.091 6.122 96 HD3 LYS 480 2HD LYS 480 -6.463 -8.438 4.453 97 HE2 LYS 480 1HE LYS 480 -4.865 -10.466 4.707 98 HE3 LYS 480 2HE LYS 480 -5.057 -10.186 6.436 99 HZ1 LYS 480 1HZ LYS 480 -7.015 -11.186 6.380 100 HZ2 LYS 480 2HZ LYS 480 -6.768 -11.567 4.752 101 HZ3 LYS 480 3HZ LYS 480 -7.579 -10.144 5.173 102 H ALA 481 H ALA 481 -3.358 -5.586 7.919 103 HA ALA 481 HA ALA 481 -3.066 -2.665 7.688 104 HB1 ALA 481 1HB ALA 481 -2.394 -2.720 10.064 105 HB2 ALA 481 2HB ALA 481 -4.025 -3.337 9.799 106 HB3 ALA 481 3HB ALA 481 -2.694 -4.459 10.083 107 H HIS 482 H HIS 482 -1.010 -1.722 7.869 108 HA HIS 482 HA HIS 482 1.368 -3.245 8.202 109 HB2 HIS 482 1HB HIS 482 0.918 -4.049 5.979 110 HB3 HIS 482 2HB HIS 482 0.607 -2.417 5.396 111 HD1 HIS 482 1HD HIS 482 3.322 -4.839 6.032 112 HD2 HIS 482 2HD HIS 482 2.950 -0.814 5.079 113 HE1 HIS 482 1HE HIS 482 5.609 -4.113 5.280 114 H SER 483 H SER 483 2.537 -1.828 9.307 115 HA SER 483 HA SER 483 2.237 1.019 8.855 116 HB2 SER 483 1HB SER 483 4.342 0.344 10.717 117 HB3 SER 483 2HB SER 483 2.820 1.183 11.015 118 HG SER 483 HG SER 483 3.494 -1.273 11.733 119 HA PRO 484 HA PRO 484 5.813 1.726 6.416 120 HB2 PRO 484 1HB PRO 484 6.809 4.017 7.479 121 HB3 PRO 484 2HB PRO 484 5.326 3.969 6.519 122 HG2 PRO 484 1HG PRO 484 5.655 4.037 9.494 123 HG3 PRO 484 2HG PRO 484 4.513 4.932 8.473 124 HD2 PRO 484 1HD PRO 484 3.806 2.710 9.851 125 HD3 PRO 484 2HD PRO 484 3.079 3.136 8.289 126 H GLN 485 H GLN 485 7.251 0.073 6.821 127 HA GLN 485 HA GLN 485 8.650 -0.542 9.075 128 HB2 GLN 485 1HB GLN 485 9.601 -0.663 6.211 129 HB3 GLN 485 2HB GLN 485 10.437 -1.430 7.555 130 HG2 GLN 485 1HG GLN 485 7.746 -2.088 6.413 131 HG3 GLN 485 2HG GLN 485 9.167 -3.121 6.551 132 HE21 GLN 485 1HE2 GLN 485 6.612 -2.638 9.675 133 HE22 GLN 485 2HE2 GLN 485 6.536 -1.619 8.282 134 H GLY 486 H GLY 486 9.336 2.037 6.788 135 HA2 GLY 486 1HA GLY 486 10.716 3.619 8.633 136 HA3 GLY 486 2HA GLY 486 11.912 2.708 7.724 137 H GLU 487 H GLU 487 11.779 2.880 5.331 138 HA GLU 487 HA GLU 487 10.743 5.509 4.498 139 HB2 GLU 487 1HB GLU 487 13.474 4.463 4.407 140 HB3 GLU 487 2HB GLU 487 12.913 5.066 2.854 141 HG2 GLU 487 1HG GLU 487 12.121 7.029 4.609 142 HG3 GLU 487 2HG GLU 487 13.678 6.511 5.254 143 H GLY 488 H GLY 488 10.230 5.713 2.238 144 HA2 GLY 488 1HA GLY 488 9.247 4.988 0.296 145 HA3 GLY 488 2HA GLY 488 10.352 3.623 0.376 146 H GLU 489 H GLU 489 8.019 4.302 2.890 147 HA GLU 489 HA GLU 489 6.210 2.247 1.875 148 HB2 GLU 489 1HB GLU 489 7.514 2.110 4.599 149 HB3 GLU 489 2HB GLU 489 6.206 1.071 4.054 150 HG2 GLU 489 1HG GLU 489 7.802 0.445 2.132 151 HG3 GLU 489 2HG GLU 489 9.057 1.136 3.158 152 H ILE 490 H ILE 490 4.120 2.312 2.786 153 HA ILE 490 HA ILE 490 3.558 4.674 4.451 154 HB ILE 490 HB ILE 490 1.345 4.796 3.182 155 HG12 ILE 490 1HG1 ILE 490 2.917 3.337 1.056 156 HG13 ILE 490 2HG1 ILE 490 1.724 2.542 2.078 157 HG21 ILE 490 1HG2 ILE 490 3.573 6.198 2.929 158 HG22 ILE 490 2HG2 ILE 490 3.561 5.472 1.323 159 HG23 ILE 490 3HG2 ILE 490 2.194 6.449 1.858 160 HD11 ILE 490 1HD1 ILE 490 1.322 3.980 -0.324 161 HD12 ILE 490 2HD1 ILE 490 0.128 3.168 0.689 162 HD13 ILE 490 3HD1 ILE 490 0.526 4.861 0.979 163 HA PRO 491 HA PRO 491 1.220 2.044 7.076 164 HB2 PRO 491 1HB PRO 491 -0.745 3.725 7.905 165 HB3 PRO 491 2HB PRO 491 0.931 3.863 8.449 166 HG2 PRO 491 1HG PRO 491 -0.505 5.405 6.322 167 HG3 PRO 491 2HG PRO 491 0.613 5.992 7.568 168 HD2 PRO 491 1HD PRO 491 1.378 5.577 5.005 169 HD3 PRO 491 2HD PRO 491 2.478 5.346 6.379 170 H LEU 492 H LEU 492 -0.614 0.753 7.161 171 HA LEU 492 HA LEU 492 -2.684 1.218 5.131 172 HB2 LEU 492 1HB LEU 492 -1.032 -1.245 5.546 173 HB3 LEU 492 2HB LEU 492 -2.654 -1.354 4.867 174 HG LEU 492 HG LEU 492 -0.278 0.075 3.685 175 HD11 LEU 492 1HD1 LEU 492 -0.065 -2.205 3.226 176 HD12 LEU 492 2HD1 LEU 492 -0.850 -1.546 1.793 177 HD13 LEU 492 3HD1 LEU 492 -1.800 -2.416 2.996 178 HD21 LEU 492 1HD2 LEU 492 -1.738 1.430 2.694 179 HD22 LEU 492 2HD2 LEU 492 -3.114 0.516 3.313 180 HD23 LEU 492 3HD2 LEU 492 -2.327 0.019 1.816 181 H HIS 493 H HIS 493 -4.738 0.529 5.667 182 HA HIS 493 HA HIS 493 -5.147 -0.916 8.162 183 HB2 HIS 493 1HB HIS 493 -5.552 1.952 7.870 184 HB3 HIS 493 2HB HIS 493 -7.025 1.123 8.363 185 HD1 HIS 493 1HD HIS 493 -7.204 0.471 10.771 186 HD2 HIS 493 2HD HIS 493 -3.334 1.535 9.700 187 HE1 HIS 493 1HE HIS 493 -5.905 0.536 12.924 188 H ARG 494 H ARG 494 -6.895 -2.213 8.099 189 HA ARG 494 HA ARG 494 -8.145 -2.902 5.755 190 HB2 ARG 494 1HB ARG 494 -9.914 -3.940 7.196 191 HB3 ARG 494 2HB ARG 494 -8.267 -4.366 7.643 192 HG2 ARG 494 1HG ARG 494 -8.380 -2.582 9.399 193 HG3 ARG 494 2HG ARG 494 -10.098 -2.421 9.025 194 HD2 ARG 494 1HD ARG 494 -8.750 -4.976 9.894 195 HD3 ARG 494 2HD ARG 494 -9.649 -3.898 10.961 196 HE ARG 494 HE ARG 494 -11.329 -4.559 8.848 197 HH11 ARG 494 1HH1 ARG 494 -10.911 -7.395 11.642 198 HH12 ARG 494 2HH1 ARG 494 -9.711 -6.156 11.484 199 HH21 ARG 494 1HH2 ARG 494 -12.733 -7.411 10.254 200 HH22 ARG 494 2HH2 ARG 494 -12.916 -6.185 9.046 201 H GLY 495 H GLY 495 -9.465 -1.830 4.450 202 HA2 GLY 495 1HA GLY 495 -11.575 -0.800 4.012 203 HA3 GLY 495 2HA GLY 495 -11.542 -0.120 5.633 204 H GLU 496 H GLU 496 -8.509 0.253 4.411 205 HA GLU 496 HA GLU 496 -8.902 3.072 3.999 206 HB2 GLU 496 1HB GLU 496 -6.544 1.241 4.109 207 HB3 GLU 496 2HB GLU 496 -6.350 2.827 3.378 208 HG2 GLU 496 1HG GLU 496 -7.456 3.676 5.572 209 HG3 GLU 496 2HG GLU 496 -6.956 2.109 6.207 210 H ALA 497 H ALA 497 -8.283 4.241 2.103 211 HA ALA 497 HA ALA 497 -8.821 2.732 -0.353 212 HB1 ALA 497 1HB ALA 497 -9.213 5.003 -1.341 213 HB2 ALA 497 2HB ALA 497 -10.329 4.546 -0.055 214 HB3 ALA 497 3HB ALA 497 -9.011 5.669 0.279 215 H VAL 498 H VAL 498 -6.957 1.963 -1.166 216 HA VAL 498 HA VAL 498 -4.587 3.681 -1.200 217 HB VAL 498 HB VAL 498 -4.612 0.863 -2.217 218 HG11 VAL 498 1HG1 VAL 498 -2.527 2.505 -0.782 219 HG12 VAL 498 2HG1 VAL 498 -2.303 0.889 -1.457 220 HG13 VAL 498 3HG1 VAL 498 -2.614 2.257 -2.526 221 HG21 VAL 498 1HG2 VAL 498 -5.726 0.703 -0.082 222 HG22 VAL 498 2HG2 VAL 498 -4.081 0.090 0.072 223 HG23 VAL 498 3HG2 VAL 498 -4.484 1.697 0.679 224 H LYS 499 H LYS 499 -3.374 3.993 -3.137 225 HA LYS 499 HA LYS 499 -4.887 3.574 -5.626 226 HB2 LYS 499 1HB LYS 499 -4.764 6.003 -4.506 227 HB3 LYS 499 2HB LYS 499 -3.238 6.036 -5.380 228 HG2 LYS 499 1HG LYS 499 -4.624 6.925 -6.954 229 HG3 LYS 499 2HG LYS 499 -4.742 5.215 -7.375 230 HD2 LYS 499 1HD LYS 499 -6.963 5.850 -7.342 231 HD3 LYS 499 2HD LYS 499 -6.743 5.226 -5.705 232 HE2 LYS 499 1HE LYS 499 -7.939 7.290 -5.557 233 HE3 LYS 499 2HE LYS 499 -6.307 7.560 -4.950 234 HZ1 LYS 499 1HZ LYS 499 -6.093 9.188 -6.413 235 HZ2 LYS 499 2HZ LYS 499 -7.632 8.881 -7.044 236 HZ3 LYS 499 3HZ LYS 499 -6.283 8.087 -7.685 237 H VAL 500 H VAL 500 -3.643 1.947 -6.433 238 HA VAL 500 HA VAL 500 -0.826 1.825 -6.270 239 HB VAL 500 HB VAL 500 -2.694 0.475 -8.223 240 HG11 VAL 500 1HG1 VAL 500 -0.741 0.103 -9.306 241 HG12 VAL 500 2HG1 VAL 500 0.238 0.373 -7.862 242 HG13 VAL 500 3HG1 VAL 500 -0.586 -1.169 -8.095 243 HG21 VAL 500 1HG2 VAL 500 -1.407 -0.652 -5.744 244 HG22 VAL 500 2HG2 VAL 500 -3.045 0.000 -5.787 245 HG23 VAL 500 3HG2 VAL 500 -2.631 -1.410 -6.762 246 H LEU 501 H LEU 501 0.748 2.641 -7.522 247 HA LEU 501 HA LEU 501 -0.019 3.973 -10.031 248 HB2 LEU 501 1HB LEU 501 1.317 5.065 -7.662 249 HB3 LEU 501 2HB LEU 501 2.132 5.420 -9.184 250 HG LEU 501 HG LEU 501 -0.110 6.315 -9.995 251 HD11 LEU 501 1HD1 LEU 501 -1.580 5.360 -8.371 252 HD12 LEU 501 2HD1 LEU 501 -1.597 7.111 -8.159 253 HD13 LEU 501 3HD1 LEU 501 -0.680 6.098 -7.045 254 HD21 LEU 501 1HD2 LEU 501 2.001 7.525 -8.822 255 HD22 LEU 501 2HD2 LEU 501 0.701 8.026 -7.740 256 HD23 LEU 501 3HD2 LEU 501 0.601 8.385 -9.465 257 H SER 502 H SER 502 2.521 2.414 -8.148 258 HA SER 502 HA SER 502 3.821 1.654 -10.675 259 HB2 SER 502 1HB SER 502 5.005 3.018 -8.316 260 HB3 SER 502 2HB SER 502 5.967 1.738 -9.056 261 HG SER 502 HG SER 502 6.497 3.563 -10.145 262 H ILE 503 H ILE 503 5.238 -0.263 -10.446 263 HA ILE 503 HA ILE 503 4.321 -2.060 -8.299 264 HB ILE 503 HB ILE 503 4.807 -2.861 -11.170 265 HG12 ILE 503 1HG1 ILE 503 2.752 -1.535 -10.924 266 HG13 ILE 503 2HG1 ILE 503 2.383 -3.216 -11.288 267 HG21 ILE 503 1HG2 ILE 503 4.896 -4.953 -10.441 268 HG22 ILE 503 2HG2 ILE 503 4.806 -4.365 -8.781 269 HG23 ILE 503 3HG2 ILE 503 3.329 -4.767 -9.655 270 HD11 ILE 503 1HD1 ILE 503 2.351 -2.074 -8.509 271 HD12 ILE 503 2HD1 ILE 503 0.934 -2.162 -9.556 272 HD13 ILE 503 3HD1 ILE 503 1.743 -3.642 -9.042 273 H GLY 504 H GLY 504 5.869 -3.156 -7.243 274 HA2 GLY 504 1HA GLY 504 8.636 -2.651 -7.999 275 HA3 GLY 504 2HA GLY 504 8.079 -3.361 -6.490 276 H GLU 505 H GLU 505 8.830 -5.351 -6.265 277 HA GLU 505 HA GLU 505 9.639 -6.937 -8.512 278 HB2 GLU 505 1HB GLU 505 9.638 -7.298 -5.542 279 HB3 GLU 505 2HB GLU 505 9.870 -8.701 -6.576 280 HG2 GLU 505 1HG GLU 505 11.688 -7.215 -7.706 281 HG3 GLU 505 2HG GLU 505 11.624 -6.326 -6.184 282 H GLY 506 H GLY 506 6.773 -6.622 -6.615 283 HA2 GLY 506 1HA GLY 506 4.922 -7.731 -8.120 284 HA3 GLY 506 2HA GLY 506 5.718 -9.189 -7.545 285 H GLY 507 H GLY 507 6.296 -7.905 -4.920 286 HA2 GLY 507 1HA GLY 507 3.592 -8.247 -3.793 287 HA3 GLY 507 2HA GLY 507 5.089 -8.608 -2.945 288 H PHE 508 H PHE 508 5.847 -5.874 -4.448 289 HA PHE 508 HA PHE 508 4.672 -4.127 -2.392 290 HB2 PHE 508 1HB PHE 508 7.332 -4.911 -2.457 291 HB3 PHE 508 2HB PHE 508 7.350 -3.323 -3.216 292 HD1 PHE 508 1HD PHE 508 5.421 -4.786 -0.376 293 HD2 PHE 508 2HD PHE 508 8.058 -1.732 -1.729 294 HE1 PHE 508 1HE PHE 508 5.330 -3.730 1.843 295 HE2 PHE 508 2HE PHE 508 7.972 -0.670 0.490 296 HZ PHE 508 HZ PHE 508 6.607 -1.670 2.279 297 H TRP 509 H TRP 509 3.445 -2.683 -3.391 298 HA TRP 509 HA TRP 509 4.358 -1.615 -5.982 299 HB2 TRP 509 1HB TRP 509 1.517 -1.736 -4.950 300 HB3 TRP 509 2HB TRP 509 2.034 -1.219 -6.552 301 HD1 TRP 509 HD TRP 509 4.182 -3.881 -6.519 302 HE1 TRP 509 1HE TRP 509 3.153 -6.115 -7.274 303 HE3 TRP 509 3HE TRP 509 -0.764 -2.743 -5.913 304 HZ2 TRP 509 2HZ TRP 509 0.584 -7.246 -7.574 305 HZ3 TRP 509 3HZ TRP 509 -2.444 -4.456 -6.456 306 HH2 TRP 509 HH TRP 509 -1.782 -6.660 -7.271 307 H GLU 510 H GLU 510 4.192 0.607 -6.367 308 HA GLU 510 HA GLU 510 4.172 2.226 -3.931 309 HB2 GLU 510 1HB GLU 510 6.024 2.994 -4.955 310 HB3 GLU 510 2HB GLU 510 5.530 2.364 -6.521 311 HG2 GLU 510 1HG GLU 510 5.745 4.760 -6.622 312 HG3 GLU 510 2HG GLU 510 4.055 4.298 -6.823 313 H GLY 511 H GLY 511 2.571 3.588 -3.448 314 HA2 GLY 511 1HA GLY 511 0.948 4.816 -5.493 315 HA3 GLY 511 2HA GLY 511 0.091 3.606 -4.548 316 H THR 512 H THR 512 -1.286 5.428 -3.950 317 HA THR 512 HA THR 512 -0.137 6.914 -1.682 318 HB THR 512 HB THR 512 -2.183 7.998 -3.628 319 HG1 THR 512 1HG THR 512 -0.545 8.940 -4.617 320 HG21 THR 512 1HG2 THR 512 -2.350 8.762 -1.232 321 HG22 THR 512 2HG2 THR 512 -2.063 10.044 -2.409 322 HG23 THR 512 3HG2 THR 512 -0.735 9.445 -1.415 323 H VAL 513 H VAL 513 -1.346 6.998 0.153 324 HA VAL 513 HA VAL 513 -4.133 6.172 0.110 325 HB VAL 513 HB VAL 513 -2.653 4.096 0.379 326 HG11 VAL 513 1HG1 VAL 513 -2.439 4.849 3.251 327 HG12 VAL 513 2HG1 VAL 513 -1.462 3.728 2.300 328 HG13 VAL 513 3HG1 VAL 513 -1.236 5.468 2.121 329 HG21 VAL 513 1HG2 VAL 513 -4.945 4.928 2.073 330 HG22 VAL 513 2HG2 VAL 513 -4.834 3.643 0.870 331 HG23 VAL 513 3HG2 VAL 513 -4.133 3.414 2.472 332 H LYS 514 H LYS 514 -5.310 7.166 1.648 333 HA LYS 514 HA LYS 514 -5.846 8.651 3.287 334 HB2 LYS 514 1HB LYS 514 -3.381 7.598 4.678 335 HB3 LYS 514 2HB LYS 514 -4.783 8.349 5.428 336 HG2 LYS 514 1HG LYS 514 -4.699 5.684 4.032 337 HG3 LYS 514 2HG LYS 514 -4.859 5.970 5.766 338 HD2 LYS 514 1HD LYS 514 -6.841 6.838 3.662 339 HD3 LYS 514 2HD LYS 514 -7.013 5.425 4.704 340 HE2 LYS 514 1HE LYS 514 -6.876 6.968 6.670 341 HE3 LYS 514 2HE LYS 514 -6.933 8.320 5.540 342 HZ1 LYS 514 1HZ LYS 514 -9.022 6.258 5.417 343 HZ2 LYS 514 2HZ LYS 514 -9.105 7.895 4.999 344 HZ3 LYS 514 3HZ LYS 514 -9.102 7.437 6.628 345 H GLY 515 H GLY 515 -3.870 9.415 1.157 346 HA2 GLY 515 1HA GLY 515 -3.126 11.602 0.686 347 HA3 GLY 515 2HA GLY 515 -3.056 11.926 2.412 348 H ARG 516 H ARG 516 -1.610 9.210 2.618 349 HA ARG 516 HA ARG 516 1.039 10.341 2.428 350 HB2 ARG 516 1HB ARG 516 0.056 7.641 3.360 351 HB3 ARG 516 2HB ARG 516 1.740 8.144 3.404 352 HG2 ARG 516 1HG ARG 516 1.216 8.731 5.508 353 HG3 ARG 516 2HG ARG 516 0.623 10.196 4.722 354 HD2 ARG 516 1HD ARG 516 -1.621 9.071 4.559 355 HD3 ARG 516 2HD ARG 516 -0.973 7.793 5.587 356 HE ARG 516 HE ARG 516 -1.873 10.357 6.422 357 HH11 ARG 516 1HH1 ARG 516 0.635 8.303 8.771 358 HH12 ARG 516 2HH1 ARG 516 0.476 7.879 7.099 359 HH21 ARG 516 1HH2 ARG 516 -0.589 10.036 9.636 360 HH22 ARG 516 2HH2 ARG 516 -1.674 10.925 8.621 361 H THR 517 H THR 517 2.778 9.452 1.243 362 HA THR 517 HA THR 517 1.958 7.818 -1.071 363 HB THR 517 HB THR 517 4.114 9.937 -1.082 364 HG1 THR 517 1HG THR 517 2.311 11.132 -1.077 365 HG21 THR 517 1HG2 THR 517 2.812 8.410 -3.340 366 HG22 THR 517 2HG2 THR 517 4.430 8.112 -2.701 367 HG23 THR 517 3HG2 THR 517 4.065 9.642 -3.499 368 H GLY 518 H GLY 518 3.313 6.182 -1.735 369 HA2 GLY 518 1HA GLY 518 5.912 5.670 -1.334 370 HA3 GLY 518 2HA GLY 518 5.240 5.287 0.244 371 H TRP 519 H TRP 519 6.177 3.145 -0.325 372 HA TRP 519 HA TRP 519 4.551 1.617 -2.220 373 HB2 TRP 519 1HB TRP 519 7.045 0.786 -0.720 374 HB3 TRP 519 2HB TRP 519 6.243 -0.129 -1.996 375 HD1 TRP 519 HD TRP 519 8.031 3.289 -1.571 376 HE1 TRP 519 1HE TRP 519 9.212 3.843 -3.790 377 HE3 TRP 519 3HE TRP 519 6.446 -0.697 -4.352 378 HZ2 TRP 519 2HZ TRP 519 9.441 2.736 -6.377 379 HZ3 TRP 519 3HZ TRP 519 7.191 -0.875 -6.690 380 HH2 TRP 519 HH TRP 519 8.657 0.808 -7.680 381 H PHE 520 H PHE 520 3.752 -0.511 -1.586 382 HA PHE 520 HA PHE 520 3.458 -1.054 1.240 383 HB2 PHE 520 1HB PHE 520 0.937 -1.156 1.036 384 HB3 PHE 520 2HB PHE 520 1.630 0.462 1.035 385 HD1 PHE 520 1HD PHE 520 0.109 -2.150 -1.065 386 HD2 PHE 520 2HD PHE 520 1.425 1.892 -0.848 387 HE1 PHE 520 1HE PHE 520 -1.044 -1.666 -3.183 388 HE2 PHE 520 2HE PHE 520 0.274 2.383 -2.967 389 HZ PHE 520 HZ PHE 520 -0.963 0.604 -4.137 390 HA PRO 521 HA PRO 521 3.296 -5.219 -0.124 391 HB2 PRO 521 1HB PRO 521 1.732 -6.364 1.776 392 HB3 PRO 521 2HB PRO 521 3.388 -5.833 2.088 393 HG2 PRO 521 1HG PRO 521 0.807 -4.452 2.715 394 HG3 PRO 521 2HG PRO 521 2.260 -4.619 3.718 395 HD2 PRO 521 1HD PRO 521 1.693 -2.360 2.336 396 HD3 PRO 521 2HD PRO 521 3.356 -2.905 2.635 397 H ALA 522 H ALA 522 2.237 -5.677 -1.959 398 HA ALA 522 HA ALA 522 -0.384 -5.004 -2.599 399 HB1 ALA 522 1HB ALA 522 1.048 -7.398 -3.723 400 HB2 ALA 522 2HB ALA 522 -0.154 -6.373 -4.510 401 HB3 ALA 522 3HB ALA 522 1.456 -5.741 -4.168 402 H ASP 523 H ASP 523 0.858 -7.678 -0.770 403 HA ASP 523 HA ASP 523 -1.396 -9.388 -0.987 404 HB2 ASP 523 1HB ASP 523 0.906 -10.066 -0.216 405 HB3 ASP 523 2HB ASP 523 0.562 -9.259 1.311 406 H CYS 524 H CYS 524 -1.014 -6.418 0.513 407 HA CYS 524 HA CYS 524 -3.182 -6.977 2.426 408 HB2 CYS 524 1HB CYS 524 -1.175 -4.712 2.452 409 HB3 CYS 524 2HB CYS 524 -2.426 -4.993 3.657 410 HG CYS 524 HG CYS 524 -0.506 -7.668 3.272 411 H VAL 525 H VAL 525 -2.878 -5.962 -0.581 412 HA VAL 525 HA VAL 525 -5.066 -4.014 -0.323 413 HB VAL 525 HB VAL 525 -4.183 -2.595 -2.005 414 HG11 VAL 525 1HG1 VAL 525 -2.489 -1.610 -0.837 415 HG12 VAL 525 2HG1 VAL 525 -3.084 -2.722 0.399 416 HG13 VAL 525 3HG1 VAL 525 -1.652 -3.135 -0.546 417 HG21 VAL 525 1HG2 VAL 525 -1.656 -3.484 -2.685 418 HG22 VAL 525 2HG2 VAL 525 -2.635 -4.950 -2.711 419 HG23 VAL 525 3HG2 VAL 525 -3.096 -3.564 -3.698 420 H GLU 526 H GLU 526 -6.494 -3.904 -2.137 421 HA GLU 526 HA GLU 526 -6.238 -5.954 -4.185 422 HB2 GLU 526 1HB GLU 526 -8.169 -6.065 -1.948 423 HB3 GLU 526 2HB GLU 526 -8.829 -6.390 -3.544 424 HG2 GLU 526 1HG GLU 526 -6.567 -7.918 -3.542 425 HG3 GLU 526 2HG GLU 526 -7.089 -8.018 -1.861 426 H GLU 527 H GLU 527 -7.273 -5.449 -6.071 427 HA GLU 527 HA GLU 527 -7.916 -2.773 -6.579 428 HB2 GLU 527 1HB GLU 527 -7.538 -5.086 -8.096 429 HB3 GLU 527 2HB GLU 527 -9.186 -4.588 -8.452 430 HG2 GLU 527 1HG GLU 527 -8.529 -2.791 -9.613 431 HG3 GLU 527 2HG GLU 527 -7.225 -2.414 -8.489 432 H VAL 528 H VAL 528 -9.904 -1.763 -7.075 433 HA VAL 528 HA VAL 528 -11.968 -2.115 -5.295 434 HB VAL 528 HB VAL 528 -13.368 -0.762 -6.798 435 HG11 VAL 528 1HG1 VAL 528 -10.779 0.588 -7.125 436 HG12 VAL 528 2HG1 VAL 528 -12.242 1.117 -6.292 437 HG13 VAL 528 3HG1 VAL 528 -11.123 0.013 -5.494 438 HG21 VAL 528 1HG2 VAL 528 -12.700 -1.805 -8.914 439 HG22 VAL 528 2HG2 VAL 528 -12.532 -0.051 -8.973 440 HG23 VAL 528 3HG2 VAL 528 -11.105 -1.068 -8.771 441 H GLN 529 H GLN 529 -11.405 -3.759 -8.315 442 HA GLN 529 HA GLN 529 -13.811 -5.381 -7.822 443 HB2 GLN 529 1HB GLN 529 -12.783 -4.359 -10.471 444 HB3 GLN 529 2HB GLN 529 -13.989 -5.631 -10.323 445 HG2 GLN 529 1HG GLN 529 -15.163 -3.783 -8.809 446 HG3 GLN 529 2HG GLN 529 -14.226 -2.721 -9.859 447 HE21 GLN 529 1HE2 GLN 529 -17.683 -3.920 -11.153 448 HE22 GLN 529 2HE2 GLN 529 -17.177 -3.694 -9.516 449 H MET 530 H MET 530 -13.674 -7.580 -8.388 450 HA MET 530 HA MET 530 -10.974 -8.633 -8.269 451 HB2 MET 530 1HB MET 530 -13.715 -9.837 -8.023 452 HB3 MET 530 2HB MET 530 -12.299 -10.860 -8.225 453 HG2 MET 530 1HG MET 530 -11.380 -10.188 -6.181 454 HG3 MET 530 2HG MET 530 -12.453 -8.796 -6.060 455 HE1 MET 530 1HE MET 530 -12.169 -12.195 -4.044 456 HE2 MET 530 2HE MET 530 -13.157 -13.145 -5.154 457 HE3 MET 530 3HE MET 530 -11.722 -12.305 -5.746 Start of MODEL 21 1 H1 MET 470 H MET 470 -14.646 -1.845 -18.744 2 HA MET 470 HA MET 470 -14.020 0.843 -19.775 3 HB2 MET 470 1HB MET 470 -16.441 0.251 -19.704 4 HB3 MET 470 2HB MET 470 -16.306 0.053 -17.963 5 HG2 MET 470 1HG MET 470 -17.091 2.178 -18.043 6 HG3 MET 470 2HG MET 470 -15.360 2.504 -18.098 7 HE1 MET 470 1HE MET 470 -15.422 5.098 -20.014 8 HE2 MET 470 2HE MET 470 -17.184 5.180 -20.018 9 HE3 MET 470 3HE MET 470 -16.328 4.670 -18.562 10 H VAL 471 H VAL 471 -12.570 1.935 -18.639 11 HA VAL 471 HA VAL 471 -12.234 1.282 -15.784 12 HB VAL 471 HB VAL 471 -10.229 0.706 -16.940 13 HG11 VAL 471 1HG1 VAL 471 -10.878 3.029 -18.537 14 HG12 VAL 471 2HG1 VAL 471 -9.188 3.037 -18.029 15 HG13 VAL 471 3HG1 VAL 471 -9.838 1.657 -18.915 16 HG21 VAL 471 1HG2 VAL 471 -10.265 2.361 -14.826 17 HG22 VAL 471 2HG2 VAL 471 -8.780 1.725 -15.533 18 HG23 VAL 471 3HG2 VAL 471 -9.337 3.344 -15.958 19 HA PRO 472 HA PRO 472 -13.844 5.591 -15.843 20 HB2 PRO 472 1HB PRO 472 -15.224 5.328 -13.520 21 HB3 PRO 472 2HB PRO 472 -15.881 4.843 -15.088 22 HG2 PRO 472 1HG PRO 472 -14.620 3.158 -12.958 23 HG3 PRO 472 2HG PRO 472 -16.067 2.833 -13.930 24 HD2 PRO 472 1HD PRO 472 -13.659 1.728 -14.487 25 HD3 PRO 472 2HD PRO 472 -14.840 2.131 -15.750 26 H GLY 473 H GLY 473 -11.917 3.713 -13.706 27 HA2 GLY 473 1HA GLY 473 -10.174 5.704 -12.973 28 HA3 GLY 473 2HA GLY 473 -11.433 5.745 -11.747 29 H ARG 474 H ARG 474 -8.449 4.653 -12.268 30 HA ARG 474 HA ARG 474 -8.698 1.970 -11.242 31 HB2 ARG 474 1HB ARG 474 -6.740 3.391 -12.638 32 HB3 ARG 474 2HB ARG 474 -6.034 3.101 -11.054 33 HG2 ARG 474 1HG ARG 474 -7.094 1.041 -12.974 34 HG3 ARG 474 2HG ARG 474 -5.412 1.315 -12.516 35 HD2 ARG 474 1HD ARG 474 -6.000 0.721 -10.184 36 HD3 ARG 474 2HD ARG 474 -7.636 0.344 -10.726 37 HE ARG 474 HE ARG 474 -5.284 -1.271 -11.060 38 HH11 ARG 474 1HH1 ARG 474 -8.659 -2.090 -13.051 39 HH12 ARG 474 2HH1 ARG 474 -8.453 -0.541 -12.303 40 HH21 ARG 474 1HH2 ARG 474 -7.005 -3.667 -12.900 41 HH22 ARG 474 2HH2 ARG 474 -5.545 -3.314 -12.041 42 H LYS 475 H LYS 475 -9.334 1.751 -9.189 43 HA LYS 475 HA LYS 475 -7.882 3.279 -7.136 44 HB2 LYS 475 1HB LYS 475 -10.014 4.286 -7.128 45 HB3 LYS 475 2HB LYS 475 -10.837 2.748 -7.346 46 HG2 LYS 475 1HG LYS 475 -10.634 2.167 -5.132 47 HG3 LYS 475 2HG LYS 475 -9.232 3.210 -4.877 48 HD2 LYS 475 1HD LYS 475 -11.218 4.102 -3.762 49 HD3 LYS 475 2HD LYS 475 -10.664 5.184 -5.042 50 HE2 LYS 475 1HE LYS 475 -12.668 3.149 -5.806 51 HE3 LYS 475 2HE LYS 475 -13.225 4.437 -4.739 52 HZ1 LYS 475 1HZ LYS 475 -11.895 5.847 -6.555 53 HZ2 LYS 475 2HZ LYS 475 -13.545 5.496 -6.681 54 HZ3 LYS 475 3HZ LYS 475 -12.415 4.561 -7.524 55 H PHE 476 H PHE 476 -7.547 2.209 -5.146 56 HA PHE 476 HA PHE 476 -8.046 -0.693 -5.197 57 HB2 PHE 476 1HB PHE 476 -5.501 0.796 -4.739 58 HB3 PHE 476 2HB PHE 476 -5.777 -0.676 -3.814 59 HD1 PHE 476 1HD PHE 476 -5.779 0.626 -7.297 60 HD2 PHE 476 2HD PHE 476 -5.258 -2.733 -4.735 61 HE1 PHE 476 1HE PHE 476 -5.021 -0.715 -9.215 62 HE2 PHE 476 2HE PHE 476 -4.497 -4.080 -6.649 63 HZ PHE 476 HZ PHE 476 -4.377 -3.070 -8.892 64 H ILE 477 H ILE 477 -7.939 -1.710 -3.035 65 HA ILE 477 HA ILE 477 -8.559 0.135 -0.838 66 HB ILE 477 HB ILE 477 -10.686 -0.707 -1.866 67 HG12 ILE 477 1HG1 ILE 477 -11.331 -1.828 0.543 68 HG13 ILE 477 2HG1 ILE 477 -9.861 -0.948 0.950 69 HG21 ILE 477 1HG2 ILE 477 -11.150 -2.887 -2.138 70 HG22 ILE 477 2HG2 ILE 477 -9.402 -3.095 -2.031 71 HG23 ILE 477 3HG2 ILE 477 -10.409 -3.338 -0.603 72 HD11 ILE 477 1HD1 ILE 477 -11.338 0.710 1.323 73 HD12 ILE 477 2HD1 ILE 477 -11.145 0.957 -0.413 74 HD13 ILE 477 3HD1 ILE 477 -12.529 0.052 0.202 75 H ALA 478 H ALA 478 -7.730 -0.443 1.092 76 HA ALA 478 HA ALA 478 -5.939 -2.703 1.173 77 HB1 ALA 478 1HB ALA 478 -5.638 -1.809 3.598 78 HB2 ALA 478 2HB ALA 478 -5.009 -0.879 2.237 79 HB3 ALA 478 3HB ALA 478 -6.531 -0.412 2.995 80 H VAL 479 H VAL 479 -6.253 -4.614 2.152 81 HA VAL 479 HA VAL 479 -8.833 -5.031 3.505 82 HB VAL 479 HB VAL 479 -8.342 -7.486 3.068 83 HG11 VAL 479 1HG1 VAL 479 -9.666 -7.338 1.265 84 HG12 VAL 479 2HG1 VAL 479 -9.630 -5.600 1.574 85 HG13 VAL 479 3HG1 VAL 479 -8.527 -6.310 0.394 86 HG21 VAL 479 1HG2 VAL 479 -5.867 -6.528 2.320 87 HG22 VAL 479 2HG2 VAL 479 -6.495 -8.144 1.997 88 HG23 VAL 479 3HG2 VAL 479 -6.653 -6.879 0.779 89 H LYS 480 H LYS 480 -5.431 -5.041 3.950 90 HA LYS 480 HA LYS 480 -5.795 -6.143 6.657 91 HB2 LYS 480 1HB LYS 480 -3.182 -6.379 5.208 92 HB3 LYS 480 2HB LYS 480 -3.798 -7.340 6.545 93 HG2 LYS 480 1HG LYS 480 -4.734 -7.445 3.685 94 HG3 LYS 480 2HG LYS 480 -3.758 -8.654 4.522 95 HD2 LYS 480 1HD LYS 480 -6.112 -8.139 6.053 96 HD3 LYS 480 2HD LYS 480 -6.576 -8.470 4.382 97 HE2 LYS 480 1HE LYS 480 -4.738 -10.205 6.027 98 HE3 LYS 480 2HE LYS 480 -6.463 -10.498 5.816 99 HZ1 LYS 480 1HZ LYS 480 -5.773 -11.733 4.096 100 HZ2 LYS 480 2HZ LYS 480 -4.274 -10.957 3.982 101 HZ3 LYS 480 3HZ LYS 480 -5.644 -10.256 3.279 102 H ALA 481 H ALA 481 -3.499 -5.586 7.856 103 HA ALA 481 HA ALA 481 -3.282 -2.655 7.645 104 HB1 ALA 481 1HB ALA 481 -2.665 -4.335 10.067 105 HB2 ALA 481 2HB ALA 481 -2.809 -2.579 9.980 106 HB3 ALA 481 3HB ALA 481 -4.235 -3.593 9.762 107 H HIS 482 H HIS 482 -1.201 -1.693 8.091 108 HA HIS 482 HA HIS 482 1.167 -3.273 8.216 109 HB2 HIS 482 1HB HIS 482 0.514 -3.599 5.829 110 HB3 HIS 482 2HB HIS 482 0.643 -1.859 5.594 111 HD1 HIS 482 1HD HIS 482 2.778 -4.875 6.365 112 HD2 HIS 482 2HD HIS 482 3.189 -0.925 5.147 113 HE1 HIS 482 1HE HIS 482 5.196 -4.617 5.725 114 H SER 483 H SER 483 3.070 -2.008 8.442 115 HA SER 483 HA SER 483 2.562 0.870 8.830 116 HB2 SER 483 1HB SER 483 4.714 -0.091 10.496 117 HB3 SER 483 2HB SER 483 3.229 0.733 10.967 118 HG SER 483 HG SER 483 2.191 -1.347 10.826 119 HA PRO 484 HA PRO 484 6.013 1.712 6.254 120 HB2 PRO 484 1HB PRO 484 6.987 3.976 7.391 121 HB3 PRO 484 2HB PRO 484 5.481 3.937 6.469 122 HG2 PRO 484 1HG PRO 484 5.887 3.883 9.434 123 HG3 PRO 484 2HG PRO 484 4.698 4.794 8.483 124 HD2 PRO 484 1HD PRO 484 4.077 2.500 9.779 125 HD3 PRO 484 2HD PRO 484 3.300 2.976 8.256 126 H GLN 485 H GLN 485 7.644 0.266 6.387 127 HA GLN 485 HA GLN 485 9.073 -0.510 8.612 128 HB2 GLN 485 1HB GLN 485 9.749 -0.469 5.689 129 HB3 GLN 485 2HB GLN 485 10.935 -1.017 6.867 130 HG2 GLN 485 1HG GLN 485 9.999 -3.014 6.916 131 HG3 GLN 485 2HG GLN 485 8.463 -2.307 7.413 132 HE21 GLN 485 1HE2 GLN 485 7.060 -2.313 4.168 133 HE22 GLN 485 2HE2 GLN 485 7.066 -1.491 5.688 134 H GLY 486 H GLY 486 9.478 2.327 6.622 135 HA2 GLY 486 1HA GLY 486 10.793 3.870 8.464 136 HA3 GLY 486 2HA GLY 486 12.077 3.011 7.625 137 H GLU 487 H GLU 487 12.139 3.230 5.252 138 HA GLU 487 HA GLU 487 11.033 5.810 4.362 139 HB2 GLU 487 1HB GLU 487 13.812 4.884 4.449 140 HB3 GLU 487 2HB GLU 487 13.331 5.511 2.880 141 HG2 GLU 487 1HG GLU 487 12.334 7.393 4.602 142 HG3 GLU 487 2HG GLU 487 13.841 6.909 5.380 143 H GLY 488 H GLY 488 9.874 5.720 2.551 144 HA2 GLY 488 1HA GLY 488 9.343 5.067 0.364 145 HA3 GLY 488 2HA GLY 488 10.491 3.745 0.503 146 H GLU 489 H GLU 489 8.167 4.228 3.023 147 HA GLU 489 HA GLU 489 6.378 2.207 1.906 148 HB2 GLU 489 1HB GLU 489 7.724 1.950 4.600 149 HB3 GLU 489 2HB GLU 489 6.423 0.918 4.023 150 HG2 GLU 489 1HG GLU 489 8.055 -0.427 3.331 151 HG3 GLU 489 2HG GLU 489 8.225 0.711 1.996 152 H ILE 490 H ILE 490 4.278 2.345 2.616 153 HA ILE 490 HA ILE 490 3.691 4.544 4.491 154 HB ILE 490 HB ILE 490 1.449 4.626 3.206 155 HG12 ILE 490 1HG1 ILE 490 3.222 3.341 1.118 156 HG13 ILE 490 2HG1 ILE 490 1.841 2.574 1.892 157 HG21 ILE 490 1HG2 ILE 490 3.961 5.609 1.861 158 HG22 ILE 490 2HG2 ILE 490 2.338 6.267 1.662 159 HG23 ILE 490 3HG2 ILE 490 3.157 6.397 3.219 160 HD11 ILE 490 1HD1 ILE 490 1.934 4.358 -0.370 161 HD12 ILE 490 2HD1 ILE 490 0.623 3.328 0.206 162 HD13 ILE 490 3HD1 ILE 490 0.832 4.945 0.875 163 HA PRO 491 HA PRO 491 1.369 1.770 6.978 164 HB2 PRO 491 1HB PRO 491 -0.653 3.365 7.837 165 HB3 PRO 491 2HB PRO 491 1.011 3.530 8.411 166 HG2 PRO 491 1HG PRO 491 -0.437 5.109 6.320 167 HG3 PRO 491 2HG PRO 491 0.646 5.680 7.603 168 HD2 PRO 491 1HD PRO 491 1.459 5.379 5.038 169 HD3 PRO 491 2HD PRO 491 2.546 5.128 6.419 170 H LEU 492 H LEU 492 -0.895 0.923 7.352 171 HA LEU 492 HA LEU 492 -2.766 1.244 5.174 172 HB2 LEU 492 1HB LEU 492 -1.221 -1.296 5.605 173 HB3 LEU 492 2HB LEU 492 -2.789 -1.278 4.801 174 HG LEU 492 HG LEU 492 -0.268 0.087 3.860 175 HD11 LEU 492 1HD1 LEU 492 -1.715 -2.408 3.083 176 HD12 LEU 492 2HD1 LEU 492 0.011 -2.140 3.323 177 HD13 LEU 492 3HD1 LEU 492 -0.788 -1.510 1.882 178 HD21 LEU 492 1HD2 LEU 492 -2.214 0.045 1.842 179 HD22 LEU 492 2HD2 LEU 492 -1.575 1.451 2.694 180 HD23 LEU 492 3HD2 LEU 492 -3.026 0.643 3.289 181 H HIS 493 H HIS 493 -4.833 0.549 5.677 182 HA HIS 493 HA HIS 493 -5.275 -0.903 8.161 183 HB2 HIS 493 1HB HIS 493 -5.675 1.970 7.870 184 HB3 HIS 493 2HB HIS 493 -7.145 1.136 8.367 185 HD1 HIS 493 1HD HIS 493 -7.297 0.405 10.765 186 HD2 HIS 493 2HD HIS 493 -3.472 1.633 9.706 187 HE1 HIS 493 1HE HIS 493 -5.999 0.491 12.917 188 H ARG 494 H ARG 494 -6.977 -2.238 8.024 189 HA ARG 494 HA ARG 494 -8.239 -2.826 5.648 190 HB2 ARG 494 1HB ARG 494 -9.913 -4.046 7.016 191 HB3 ARG 494 2HB ARG 494 -8.254 -4.383 7.492 192 HG2 ARG 494 1HG ARG 494 -8.551 -2.651 9.302 193 HG3 ARG 494 2HG ARG 494 -10.270 -2.665 8.905 194 HD2 ARG 494 1HD ARG 494 -10.204 -5.164 9.268 195 HD3 ARG 494 2HD ARG 494 -8.588 -4.937 9.936 196 HE ARG 494 HE ARG 494 -10.507 -3.236 11.183 197 HH11 ARG 494 1HH1 ARG 494 -9.720 -6.832 12.755 198 HH12 ARG 494 2HH1 ARG 494 -9.270 -6.490 11.118 199 HH21 ARG 494 1HH2 ARG 494 -10.764 -5.231 14.018 200 HH22 ARG 494 2HH2 ARG 494 -11.104 -3.675 13.340 201 H GLY 495 H GLY 495 -9.669 -1.770 4.449 202 HA2 GLY 495 1HA GLY 495 -11.883 -0.819 4.238 203 HA3 GLY 495 2HA GLY 495 -11.650 -0.059 5.805 204 H GLU 496 H GLU 496 -8.780 0.505 4.721 205 HA GLU 496 HA GLU 496 -9.366 3.178 3.887 206 HB2 GLU 496 1HB GLU 496 -6.780 1.631 4.077 207 HB3 GLU 496 2HB GLU 496 -6.863 3.321 3.598 208 HG2 GLU 496 1HG GLU 496 -7.097 2.095 6.246 209 HG3 GLU 496 2HG GLU 496 -6.530 3.696 5.777 210 H ALA 497 H ALA 497 -8.618 4.164 1.903 211 HA ALA 497 HA ALA 497 -8.878 2.328 -0.377 212 HB1 ALA 497 1HB ALA 497 -10.541 4.176 -0.130 213 HB2 ALA 497 2HB ALA 497 -9.223 5.320 -0.393 214 HB3 ALA 497 3HB ALA 497 -9.667 4.179 -1.662 215 H VAL 498 H VAL 498 -7.019 1.768 -1.289 216 HA VAL 498 HA VAL 498 -4.738 3.601 -1.171 217 HB VAL 498 HB VAL 498 -4.623 0.796 -2.237 218 HG11 VAL 498 1HG1 VAL 498 -2.627 2.641 -0.936 219 HG12 VAL 498 2HG1 VAL 498 -2.303 0.955 -1.345 220 HG13 VAL 498 3HG1 VAL 498 -2.662 2.120 -2.620 221 HG21 VAL 498 1HG2 VAL 498 -5.375 0.094 -0.237 222 HG22 VAL 498 2HG2 VAL 498 -3.760 0.526 0.325 223 HG23 VAL 498 3HG2 VAL 498 -5.096 1.658 0.531 224 H LYS 499 H LYS 499 -3.423 3.943 -3.068 225 HA LYS 499 HA LYS 499 -4.883 3.622 -5.605 226 HB2 LYS 499 1HB LYS 499 -4.714 6.012 -4.408 227 HB3 LYS 499 2HB LYS 499 -3.169 6.025 -5.250 228 HG2 LYS 499 1HG LYS 499 -4.641 7.071 -6.720 229 HG3 LYS 499 2HG LYS 499 -4.507 5.425 -7.343 230 HD2 LYS 499 1HD LYS 499 -6.809 5.953 -7.400 231 HD3 LYS 499 2HD LYS 499 -6.593 4.896 -6.004 232 HE2 LYS 499 1HE LYS 499 -6.856 6.637 -4.488 233 HE3 LYS 499 2HE LYS 499 -6.473 7.870 -5.689 234 HZ1 LYS 499 1HZ LYS 499 -9.002 6.646 -5.057 235 HZ2 LYS 499 2HZ LYS 499 -8.683 6.719 -6.716 236 HZ3 LYS 499 3HZ LYS 499 -8.674 8.135 -5.791 237 H VAL 500 H VAL 500 -3.671 1.987 -6.442 238 HA VAL 500 HA VAL 500 -0.860 1.783 -6.224 239 HB VAL 500 HB VAL 500 -2.729 0.531 -8.240 240 HG11 VAL 500 1HG1 VAL 500 -0.851 -0.020 -9.320 241 HG12 VAL 500 2HG1 VAL 500 0.175 0.472 -7.972 242 HG13 VAL 500 3HG1 VAL 500 -0.561 -1.132 -7.983 243 HG21 VAL 500 1HG2 VAL 500 -3.151 -0.014 -5.848 244 HG22 VAL 500 2HG2 VAL 500 -2.694 -1.408 -6.827 245 HG23 VAL 500 3HG2 VAL 500 -1.512 -0.660 -5.752 246 H LEU 501 H LEU 501 0.767 2.531 -7.467 247 HA LEU 501 HA LEU 501 0.068 3.991 -9.926 248 HB2 LEU 501 1HB LEU 501 2.000 4.831 -7.773 249 HB3 LEU 501 2HB LEU 501 1.881 5.602 -9.353 250 HG LEU 501 HG LEU 501 -0.228 5.560 -7.196 251 HD11 LEU 501 1HD1 LEU 501 1.898 7.115 -7.184 252 HD12 LEU 501 2HD1 LEU 501 0.306 7.733 -6.746 253 HD13 LEU 501 3HD1 LEU 501 0.952 8.028 -8.360 254 HD21 LEU 501 1HD2 LEU 501 -0.312 6.779 -9.955 255 HD22 LEU 501 2HD2 LEU 501 -1.529 6.989 -8.696 256 HD23 LEU 501 3HD2 LEU 501 -1.255 5.396 -9.402 257 H SER 502 H SER 502 2.730 2.526 -8.078 258 HA SER 502 HA SER 502 3.899 1.658 -10.639 259 HB2 SER 502 1HB SER 502 5.145 3.023 -8.325 260 HB3 SER 502 2HB SER 502 6.068 1.689 -9.020 261 HG SER 502 HG SER 502 6.572 2.970 -10.592 262 H ILE 503 H ILE 503 5.327 -0.274 -10.411 263 HA ILE 503 HA ILE 503 4.370 -2.074 -8.285 264 HB ILE 503 HB ILE 503 4.860 -2.822 -11.170 265 HG12 ILE 503 1HG1 ILE 503 2.775 -1.568 -10.867 266 HG13 ILE 503 2HG1 ILE 503 2.441 -3.256 -11.242 267 HG21 ILE 503 1HG2 ILE 503 3.470 -4.833 -9.753 268 HG22 ILE 503 2HG2 ILE 503 5.083 -4.911 -10.460 269 HG23 ILE 503 3HG2 ILE 503 4.878 -4.387 -8.789 270 HD11 ILE 503 1HD1 ILE 503 0.978 -2.340 -9.493 271 HD12 ILE 503 2HD1 ILE 503 1.937 -3.710 -8.934 272 HD13 ILE 503 3HD1 ILE 503 2.394 -2.069 -8.478 273 H GLY 504 H GLY 504 5.900 -3.150 -7.194 274 HA2 GLY 504 1HA GLY 504 8.679 -2.671 -7.907 275 HA3 GLY 504 2HA GLY 504 8.093 -3.390 -6.415 276 H GLU 505 H GLU 505 8.858 -5.378 -6.199 277 HA GLU 505 HA GLU 505 9.666 -6.952 -8.457 278 HB2 GLU 505 1HB GLU 505 9.705 -7.297 -5.490 279 HB3 GLU 505 2HB GLU 505 9.890 -8.720 -6.506 280 HG2 GLU 505 1HG GLU 505 11.708 -7.259 -7.693 281 HG3 GLU 505 2HG GLU 505 11.703 -6.386 -6.161 282 H GLY 506 H GLY 506 6.810 -6.649 -6.545 283 HA2 GLY 506 1HA GLY 506 4.961 -7.771 -8.052 284 HA3 GLY 506 2HA GLY 506 5.757 -9.220 -7.459 285 H GLY 507 H GLY 507 6.327 -7.889 -4.848 286 HA2 GLY 507 1HA GLY 507 3.622 -8.228 -3.723 287 HA3 GLY 507 2HA GLY 507 5.117 -8.577 -2.867 288 H PHE 508 H PHE 508 5.965 -5.889 -4.330 289 HA PHE 508 HA PHE 508 4.755 -4.111 -2.319 290 HB2 PHE 508 1HB PHE 508 7.410 -4.903 -2.368 291 HB3 PHE 508 2HB PHE 508 7.439 -3.327 -3.153 292 HD1 PHE 508 1HD PHE 508 5.493 -4.732 -0.296 293 HD2 PHE 508 2HD PHE 508 8.155 -1.718 -1.688 294 HE1 PHE 508 1HE PHE 508 5.403 -3.640 1.908 295 HE2 PHE 508 2HE PHE 508 8.070 -0.622 0.513 296 HZ PHE 508 HZ PHE 508 6.693 -1.583 2.315 297 H TRP 509 H TRP 509 3.528 -2.678 -3.335 298 HA TRP 509 HA TRP 509 4.450 -1.624 -5.928 299 HB2 TRP 509 1HB TRP 509 1.601 -1.733 -4.920 300 HB3 TRP 509 2HB TRP 509 2.137 -1.254 -6.528 301 HD1 TRP 509 HD TRP 509 4.276 -3.903 -6.462 302 HE1 TRP 509 1HE TRP 509 3.249 -6.159 -7.155 303 HE3 TRP 509 3HE TRP 509 -0.670 -2.779 -5.814 304 HZ2 TRP 509 2HZ TRP 509 0.682 -7.310 -7.398 305 HZ3 TRP 509 3HZ TRP 509 -2.347 -4.513 -6.300 306 HH2 TRP 509 HH TRP 509 -1.682 -6.729 -7.075 307 H GLU 510 H GLU 510 4.256 0.597 -6.332 308 HA GLU 510 HA GLU 510 4.237 2.231 -3.908 309 HB2 GLU 510 1HB GLU 510 6.070 3.018 -4.950 310 HB3 GLU 510 2HB GLU 510 5.576 2.363 -6.504 311 HG2 GLU 510 1HG GLU 510 5.749 4.750 -6.658 312 HG3 GLU 510 2HG GLU 510 4.057 4.276 -6.802 313 H GLY 511 H GLY 511 2.678 3.663 -3.445 314 HA2 GLY 511 1HA GLY 511 1.013 4.837 -5.471 315 HA3 GLY 511 2HA GLY 511 0.169 3.624 -4.521 316 H THR 512 H THR 512 -1.238 5.352 -3.842 317 HA THR 512 HA THR 512 -0.092 6.853 -1.588 318 HB THR 512 HB THR 512 -1.989 7.954 -3.667 319 HG1 THR 512 1HG THR 512 0.072 8.238 -4.373 320 HG21 THR 512 1HG2 THR 512 -1.369 10.053 -2.055 321 HG22 THR 512 2HG2 THR 512 -1.478 8.741 -0.881 322 HG23 THR 512 3HG2 THR 512 -2.850 9.103 -1.928 323 H VAL 513 H VAL 513 -1.331 6.937 0.227 324 HA VAL 513 HA VAL 513 -4.125 6.144 0.133 325 HB VAL 513 HB VAL 513 -2.665 4.049 0.402 326 HG11 VAL 513 1HG1 VAL 513 -1.278 5.381 2.196 327 HG12 VAL 513 2HG1 VAL 513 -2.518 4.763 3.290 328 HG13 VAL 513 3HG1 VAL 513 -1.530 3.643 2.351 329 HG21 VAL 513 1HG2 VAL 513 -4.991 4.877 2.052 330 HG22 VAL 513 2HG2 VAL 513 -4.864 3.612 0.829 331 HG23 VAL 513 3HG2 VAL 513 -4.205 3.348 2.444 332 H LYS 514 H LYS 514 -5.315 7.122 1.674 333 HA LYS 514 HA LYS 514 -5.861 8.580 3.333 334 HB2 LYS 514 1HB LYS 514 -3.395 7.496 4.701 335 HB3 LYS 514 2HB LYS 514 -4.766 8.280 5.473 336 HG2 LYS 514 1HG LYS 514 -5.017 5.718 3.924 337 HG3 LYS 514 2HG LYS 514 -4.671 5.771 5.654 338 HD2 LYS 514 1HD LYS 514 -6.933 5.653 5.787 339 HD3 LYS 514 2HD LYS 514 -6.792 7.401 5.591 340 HE2 LYS 514 1HE LYS 514 -6.831 6.658 3.012 341 HE3 LYS 514 2HE LYS 514 -7.779 5.346 3.709 342 HZ1 LYS 514 1HZ LYS 514 -9.486 6.745 3.573 343 HZ2 LYS 514 2HZ LYS 514 -8.495 8.088 3.297 344 HZ3 LYS 514 3HZ LYS 514 -8.803 7.576 4.880 345 H GLY 515 H GLY 515 -3.838 9.342 1.220 346 HA2 GLY 515 1HA GLY 515 -3.104 11.536 0.755 347 HA3 GLY 515 2HA GLY 515 -3.071 11.865 2.481 348 H ARG 516 H ARG 516 -1.617 9.114 2.639 349 HA ARG 516 HA ARG 516 1.035 10.281 2.494 350 HB2 ARG 516 1HB ARG 516 0.145 7.551 3.443 351 HB3 ARG 516 2HB ARG 516 1.763 8.219 3.619 352 HG2 ARG 516 1HG ARG 516 1.011 8.777 5.660 353 HG3 ARG 516 2HG ARG 516 0.331 10.160 4.803 354 HD2 ARG 516 1HD ARG 516 -1.795 9.399 4.984 355 HD3 ARG 516 2HD ARG 516 -1.314 7.709 4.848 356 HE ARG 516 HE ARG 516 -1.329 7.600 7.120 357 HH11 ARG 516 1HH1 ARG 516 -0.946 11.526 7.807 358 HH12 ARG 516 2HH1 ARG 516 -0.900 10.926 6.183 359 HH21 ARG 516 1HH2 ARG 516 -1.226 10.076 9.559 360 HH22 ARG 516 2HH2 ARG 516 -1.393 8.378 9.263 361 H THR 517 H THR 517 2.718 9.550 1.224 362 HA THR 517 HA THR 517 1.940 7.788 -1.006 363 HB THR 517 HB THR 517 4.064 9.941 -1.011 364 HG1 THR 517 1HG THR 517 1.378 9.875 -1.912 365 HG21 THR 517 1HG2 THR 517 4.824 8.627 -2.696 366 HG22 THR 517 2HG2 THR 517 3.546 9.436 -3.602 367 HG23 THR 517 3HG2 THR 517 3.267 7.833 -2.922 368 H GLY 518 H GLY 518 3.359 6.190 -1.701 369 HA2 GLY 518 1HA GLY 518 5.928 5.657 -1.246 370 HA3 GLY 518 2HA GLY 518 5.245 5.300 0.334 371 H TRP 519 H TRP 519 6.318 3.184 -0.405 372 HA TRP 519 HA TRP 519 4.641 1.620 -2.204 373 HB2 TRP 519 1HB TRP 519 7.157 0.824 -0.723 374 HB3 TRP 519 2HB TRP 519 6.351 -0.113 -1.978 375 HD1 TRP 519 HD TRP 519 8.117 3.323 -1.610 376 HE1 TRP 519 1HE TRP 519 9.263 3.866 -3.850 377 HE3 TRP 519 3HE TRP 519 6.522 -0.699 -4.334 378 HZ2 TRP 519 2HZ TRP 519 9.463 2.739 -6.429 379 HZ3 TRP 519 3HZ TRP 519 7.235 -0.891 -6.681 380 HH2 TRP 519 HH TRP 519 8.675 0.793 -7.705 381 H PHE 520 H PHE 520 3.717 -0.404 -1.584 382 HA PHE 520 HA PHE 520 3.502 -0.987 1.254 383 HB2 PHE 520 1HB PHE 520 0.985 -1.062 1.096 384 HB3 PHE 520 2HB PHE 520 1.684 0.553 1.046 385 HD1 PHE 520 1HD PHE 520 0.052 -2.078 -0.926 386 HD2 PHE 520 2HD PHE 520 1.509 1.921 -0.903 387 HE1 PHE 520 1HE PHE 520 -1.140 -1.636 -3.033 388 HE2 PHE 520 2HE PHE 520 0.318 2.370 -3.008 389 HZ PHE 520 HZ PHE 520 -1.009 0.591 -4.076 390 HA PRO 521 HA PRO 521 3.304 -5.150 -0.113 391 HB2 PRO 521 1HB PRO 521 1.758 -6.289 1.806 392 HB3 PRO 521 2HB PRO 521 3.421 -5.767 2.097 393 HG2 PRO 521 1HG PRO 521 0.856 -4.373 2.759 394 HG3 PRO 521 2HG PRO 521 2.320 -4.547 3.743 395 HD2 PRO 521 1HD PRO 521 1.748 -2.285 2.370 396 HD3 PRO 521 2HD PRO 521 3.411 -2.839 2.647 397 H ALA 522 H ALA 522 2.219 -5.619 -1.928 398 HA ALA 522 HA ALA 522 -0.409 -4.925 -2.534 399 HB1 ALA 522 1HB ALA 522 1.138 -7.257 -3.658 400 HB2 ALA 522 2HB ALA 522 -0.234 -6.440 -4.407 401 HB3 ALA 522 3HB ALA 522 1.294 -5.585 -4.197 402 H ASP 523 H ASP 523 0.823 -7.528 -0.636 403 HA ASP 523 HA ASP 523 -1.385 -9.296 -0.858 404 HB2 ASP 523 1HB ASP 523 0.957 -9.820 0.025 405 HB3 ASP 523 2HB ASP 523 0.433 -9.084 1.538 406 H CYS 524 H CYS 524 -1.132 -6.268 0.525 407 HA CYS 524 HA CYS 524 -3.356 -6.812 2.378 408 HB2 CYS 524 1HB CYS 524 -1.412 -4.498 2.482 409 HB3 CYS 524 2HB CYS 524 -2.653 -4.882 3.668 410 HG CYS 524 HG CYS 524 -0.052 -5.493 4.642 411 H VAL 525 H VAL 525 -3.013 -5.920 -0.620 412 HA VAL 525 HA VAL 525 -5.141 -3.897 -0.472 413 HB VAL 525 HB VAL 525 -4.200 -2.558 -2.175 414 HG11 VAL 525 1HG1 VAL 525 -3.052 -2.723 0.230 415 HG12 VAL 525 2HG1 VAL 525 -1.657 -3.127 -0.771 416 HG13 VAL 525 3HG1 VAL 525 -2.505 -1.599 -1.014 417 HG21 VAL 525 1HG2 VAL 525 -3.214 -3.667 -3.850 418 HG22 VAL 525 2HG2 VAL 525 -1.736 -3.515 -2.900 419 HG23 VAL 525 3HG2 VAL 525 -2.701 -4.987 -2.799 420 H GLU 526 H GLU 526 -6.533 -3.816 -2.325 421 HA GLU 526 HA GLU 526 -6.305 -5.904 -4.319 422 HB2 GLU 526 1HB GLU 526 -8.215 -6.031 -2.055 423 HB3 GLU 526 2HB GLU 526 -8.858 -6.421 -3.644 424 HG2 GLU 526 1HG GLU 526 -6.460 -7.732 -2.385 425 HG3 GLU 526 2HG GLU 526 -8.094 -8.397 -2.397 426 H GLU 527 H GLU 527 -7.306 -5.379 -6.199 427 HA GLU 527 HA GLU 527 -7.993 -2.763 -6.761 428 HB2 GLU 527 1HB GLU 527 -9.005 -5.216 -8.208 429 HB3 GLU 527 2HB GLU 527 -8.912 -3.586 -8.860 430 HG2 GLU 527 1HG GLU 527 -6.678 -3.699 -9.211 431 HG3 GLU 527 2HG GLU 527 -6.403 -4.770 -7.838 432 H VAL 528 H VAL 528 -10.010 -1.754 -7.258 433 HA VAL 528 HA VAL 528 -11.940 -1.873 -5.314 434 HB VAL 528 HB VAL 528 -13.462 -0.722 -6.919 435 HG11 VAL 528 1HG1 VAL 528 -11.051 0.773 -7.461 436 HG12 VAL 528 2HG1 VAL 528 -12.401 1.162 -6.392 437 HG13 VAL 528 3HG1 VAL 528 -11.069 0.164 -5.806 438 HG21 VAL 528 1HG2 VAL 528 -12.760 -1.937 -8.937 439 HG22 VAL 528 2HG2 VAL 528 -12.671 -0.189 -9.153 440 HG23 VAL 528 3HG2 VAL 528 -11.199 -1.119 -8.874 441 H GLN 529 H GLN 529 -11.620 -3.864 -8.152 442 HA GLN 529 HA GLN 529 -14.272 -5.014 -7.818 443 HB2 GLN 529 1HB GLN 529 -12.083 -5.353 -9.848 444 HB3 GLN 529 2HB GLN 529 -13.429 -6.484 -9.770 445 HG2 GLN 529 1HG GLN 529 -13.632 -3.515 -10.221 446 HG3 GLN 529 2HG GLN 529 -13.811 -4.771 -11.445 447 HE21 GLN 529 1HE2 GLN 529 -16.946 -3.597 -9.300 448 HE22 GLN 529 2HE2 GLN 529 -15.422 -2.785 -9.333 449 H MET 530 H MET 530 -14.685 -7.130 -7.221 450 HA MET 530 HA MET 530 -12.889 -8.282 -5.353 451 HB2 MET 530 1HB MET 530 -14.531 -10.128 -5.248 452 HB3 MET 530 2HB MET 530 -15.283 -8.548 -5.087 453 HG2 MET 530 1HG MET 530 -16.733 -9.469 -6.553 454 HG3 MET 530 2HG MET 530 -15.560 -8.835 -7.706 455 HE1 MET 530 1HE MET 530 -16.665 -13.103 -6.768 456 HE2 MET 530 2HE MET 530 -15.607 -12.434 -5.524 457 HE3 MET 530 3HE MET 530 -17.129 -11.630 -5.915 Start of MODEL 22 1 H1 MET 470 H MET 470 -18.822 0.634 -13.089 2 HA MET 470 HA MET 470 -16.705 0.158 -11.113 3 HB2 MET 470 1HB MET 470 -16.416 -0.209 -14.100 4 HB3 MET 470 2HB MET 470 -15.091 -0.251 -12.946 5 HG2 MET 470 1HG MET 470 -17.407 -2.099 -12.611 6 HG3 MET 470 2HG MET 470 -16.155 -2.458 -13.798 7 HE1 MET 470 1HE MET 470 -15.951 -4.583 -12.778 8 HE2 MET 470 2HE MET 470 -14.202 -4.361 -12.744 9 HE3 MET 470 3HE MET 470 -15.042 -4.976 -11.318 10 H VAL 471 H VAL 471 -15.382 1.868 -10.748 11 HA VAL 471 HA VAL 471 -16.168 4.416 -11.813 12 HB VAL 471 HB VAL 471 -15.492 4.246 -9.483 13 HG11 VAL 471 1HG1 VAL 471 -13.394 2.669 -10.530 14 HG12 VAL 471 2HG1 VAL 471 -12.659 4.059 -9.730 15 HG13 VAL 471 3HG1 VAL 471 -13.765 3.010 -8.840 16 HG21 VAL 471 1HG2 VAL 471 -13.627 5.890 -11.187 17 HG22 VAL 471 2HG2 VAL 471 -15.177 6.392 -10.514 18 HG23 VAL 471 3HG2 VAL 471 -13.810 6.084 -9.444 19 HA PRO 472 HA PRO 472 -13.370 4.464 -15.240 20 HB2 PRO 472 1HB PRO 472 -13.553 7.114 -15.799 21 HB3 PRO 472 2HB PRO 472 -14.828 5.957 -16.198 22 HG2 PRO 472 1HG PRO 472 -14.635 7.839 -13.877 23 HG3 PRO 472 2HG PRO 472 -16.035 7.460 -14.896 24 HD2 PRO 472 1HD PRO 472 -15.682 6.370 -12.443 25 HD3 PRO 472 2HD PRO 472 -16.488 5.503 -13.766 26 H GLY 473 H GLY 473 -11.590 3.989 -13.663 27 HA2 GLY 473 1HA GLY 473 -9.405 5.615 -14.008 28 HA3 GLY 473 2HA GLY 473 -10.134 6.167 -12.507 29 H ARG 474 H ARG 474 -7.944 5.471 -11.731 30 HA ARG 474 HA ARG 474 -7.852 2.571 -11.239 31 HB2 ARG 474 1HB ARG 474 -5.896 4.057 -12.306 32 HB3 ARG 474 2HB ARG 474 -5.514 4.291 -10.605 33 HG2 ARG 474 1HG ARG 474 -4.388 2.386 -10.699 34 HG3 ARG 474 2HG ARG 474 -5.941 1.560 -10.847 35 HD2 ARG 474 1HD ARG 474 -5.659 1.150 -13.046 36 HD3 ARG 474 2HD ARG 474 -4.878 2.703 -13.341 37 HE ARG 474 HE ARG 474 -3.018 1.303 -11.947 38 HH11 ARG 474 1HH1 ARG 474 -3.641 -0.326 -15.549 39 HH12 ARG 474 2HH1 ARG 474 -4.864 0.667 -14.829 40 HH21 ARG 474 1HH2 ARG 474 -1.672 -0.709 -14.442 41 HH22 ARG 474 2HH2 ARG 474 -1.401 -0.004 -12.884 42 H LYS 475 H LYS 475 -8.570 1.967 -9.316 43 HA LYS 475 HA LYS 475 -7.871 3.573 -6.966 44 HB2 LYS 475 1HB LYS 475 -10.094 4.293 -7.350 45 HB3 LYS 475 2HB LYS 475 -10.634 2.669 -7.754 46 HG2 LYS 475 1HG LYS 475 -11.471 3.253 -5.590 47 HG3 LYS 475 2HG LYS 475 -10.242 2.000 -5.403 48 HD2 LYS 475 1HD LYS 475 -9.417 3.373 -3.825 49 HD3 LYS 475 2HD LYS 475 -8.732 4.247 -5.197 50 HE2 LYS 475 1HE LYS 475 -11.214 5.325 -5.091 51 HE3 LYS 475 2HE LYS 475 -10.933 4.979 -3.385 52 HZ1 LYS 475 1HZ LYS 475 -9.885 6.937 -3.404 53 HZ2 LYS 475 2HZ LYS 475 -9.709 6.960 -5.085 54 HZ3 LYS 475 3HZ LYS 475 -8.607 6.102 -4.130 55 H PHE 476 H PHE 476 -7.642 2.409 -5.049 56 HA PHE 476 HA PHE 476 -7.961 -0.503 -5.214 57 HB2 PHE 476 1HB PHE 476 -5.441 1.013 -4.858 58 HB3 PHE 476 2HB PHE 476 -5.668 -0.371 -3.793 59 HD1 PHE 476 1HD PHE 476 -5.223 -2.525 -4.544 60 HD2 PHE 476 2HD PHE 476 -5.690 0.627 -7.368 61 HE1 PHE 476 1HE PHE 476 -4.486 -4.032 -6.344 62 HE2 PHE 476 2HE PHE 476 -4.954 -0.876 -9.171 63 HZ PHE 476 HZ PHE 476 -4.352 -3.209 -8.661 64 H ILE 477 H ILE 477 -7.847 -1.560 -3.080 65 HA ILE 477 HA ILE 477 -8.463 0.229 -0.838 66 HB ILE 477 HB ILE 477 -10.596 -0.577 -1.860 67 HG12 ILE 477 1HG1 ILE 477 -11.205 -1.807 0.510 68 HG13 ILE 477 2HG1 ILE 477 -9.742 -0.924 0.933 69 HG21 ILE 477 1HG2 ILE 477 -9.669 -3.277 -0.890 70 HG22 ILE 477 2HG2 ILE 477 -11.238 -2.902 -1.601 71 HG23 ILE 477 3HG2 ILE 477 -9.776 -2.780 -2.578 72 HD11 ILE 477 1HD1 ILE 477 -11.131 0.980 -0.398 73 HD12 ILE 477 2HD1 ILE 477 -12.435 0.056 0.349 74 HD13 ILE 477 3HD1 ILE 477 -11.160 0.750 1.350 75 H ALA 478 H ALA 478 -7.608 -0.388 1.068 76 HA ALA 478 HA ALA 478 -5.795 -2.622 1.091 77 HB1 ALA 478 1HB ALA 478 -6.500 -0.483 3.071 78 HB2 ALA 478 2HB ALA 478 -5.472 -1.845 3.516 79 HB3 ALA 478 3HB ALA 478 -4.978 -0.752 2.222 80 H VAL 479 H VAL 479 -6.077 -4.582 1.980 81 HA VAL 479 HA VAL 479 -8.676 -5.133 3.237 82 HB VAL 479 HB VAL 479 -8.086 -7.550 2.757 83 HG11 VAL 479 1HG1 VAL 479 -8.135 -6.286 0.109 84 HG12 VAL 479 2HG1 VAL 479 -9.278 -7.402 0.859 85 HG13 VAL 479 3HG1 VAL 479 -9.347 -5.681 1.238 86 HG21 VAL 479 1HG2 VAL 479 -5.601 -6.465 2.151 87 HG22 VAL 479 2HG2 VAL 479 -6.133 -8.118 1.846 88 HG23 VAL 479 3HG2 VAL 479 -6.290 -6.894 0.586 89 H LYS 480 H LYS 480 -5.308 -4.983 3.842 90 HA LYS 480 HA LYS 480 -5.749 -6.116 6.521 91 HB2 LYS 480 1HB LYS 480 -3.100 -6.397 5.143 92 HB3 LYS 480 2HB LYS 480 -3.753 -7.325 6.487 93 HG2 LYS 480 1HG LYS 480 -4.705 -7.468 3.633 94 HG3 LYS 480 2HG LYS 480 -3.653 -8.639 4.432 95 HD2 LYS 480 1HD LYS 480 -6.096 -8.106 5.925 96 HD3 LYS 480 2HD LYS 480 -6.405 -8.747 4.309 97 HE2 LYS 480 1HE LYS 480 -5.532 -10.769 4.805 98 HE3 LYS 480 2HE LYS 480 -4.263 -10.087 5.822 99 HZ1 LYS 480 1HZ LYS 480 -6.150 -9.628 7.457 100 HZ2 LYS 480 2HZ LYS 480 -5.623 -11.227 7.298 101 HZ3 LYS 480 3HZ LYS 480 -7.053 -10.730 6.543 102 H ALA 481 H ALA 481 -3.490 -5.569 7.789 103 HA ALA 481 HA ALA 481 -3.289 -2.641 7.613 104 HB1 ALA 481 1HB ALA 481 -4.115 -3.865 9.735 105 HB2 ALA 481 2HB ALA 481 -2.409 -4.232 9.990 106 HB3 ALA 481 3HB ALA 481 -2.946 -2.554 9.905 107 H HIS 482 H HIS 482 -1.156 -1.728 8.331 108 HA HIS 482 HA HIS 482 1.216 -3.244 8.228 109 HB2 HIS 482 1HB HIS 482 0.496 -3.438 5.829 110 HB3 HIS 482 2HB HIS 482 0.664 -1.690 5.694 111 HD1 HIS 482 1HD HIS 482 2.813 -4.700 6.569 112 HD2 HIS 482 2HD HIS 482 3.147 -0.884 4.963 113 HE1 HIS 482 1HE HIS 482 5.210 -4.485 5.839 114 H SER 483 H SER 483 3.105 -1.961 8.479 115 HA SER 483 HA SER 483 2.568 0.887 9.008 116 HB2 SER 483 1HB SER 483 4.736 -0.176 10.617 117 HB3 SER 483 2HB SER 483 3.288 0.692 11.126 118 HG SER 483 HG SER 483 2.214 -1.441 10.750 119 HA PRO 484 HA PRO 484 5.962 1.806 6.374 120 HB2 PRO 484 1HB PRO 484 6.768 4.170 7.437 121 HB3 PRO 484 2HB PRO 484 5.284 3.998 6.493 122 HG2 PRO 484 1HG PRO 484 5.640 4.083 9.464 123 HG3 PRO 484 2HG PRO 484 4.412 4.878 8.462 124 HD2 PRO 484 1HD PRO 484 3.916 2.599 9.835 125 HD3 PRO 484 2HD PRO 484 3.138 2.966 8.284 126 H GLN 485 H GLN 485 7.642 0.419 6.630 127 HA GLN 485 HA GLN 485 9.094 -0.105 8.921 128 HB2 GLN 485 1HB GLN 485 9.946 -0.214 6.028 129 HB3 GLN 485 2HB GLN 485 10.920 -0.846 7.349 130 HG2 GLN 485 1HG GLN 485 8.262 -1.814 6.363 131 HG3 GLN 485 2HG GLN 485 9.788 -2.691 6.460 132 HE21 GLN 485 1HE2 GLN 485 7.337 -2.377 9.686 133 HE22 GLN 485 2HE2 GLN 485 7.087 -1.427 8.266 134 H GLY 486 H GLY 486 9.339 2.580 6.720 135 HA2 GLY 486 1HA GLY 486 10.617 4.316 8.403 136 HA3 GLY 486 2HA GLY 486 11.925 3.449 7.612 137 H GLU 487 H GLU 487 11.986 3.504 5.244 138 HA GLU 487 HA GLU 487 10.778 5.975 4.184 139 HB2 GLU 487 1HB GLU 487 13.405 4.871 3.223 140 HB3 GLU 487 2HB GLU 487 12.749 6.487 3.004 141 HG2 GLU 487 1HG GLU 487 12.899 6.533 5.634 142 HG3 GLU 487 2HG GLU 487 14.123 5.297 5.350 143 H GLY 488 H GLY 488 9.920 5.925 2.139 144 HA2 GLY 488 1HA GLY 488 9.126 5.041 0.166 145 HA3 GLY 488 2HA GLY 488 10.349 3.787 0.304 146 H GLU 489 H GLU 489 7.988 4.382 2.812 147 HA GLU 489 HA GLU 489 6.306 2.185 1.914 148 HB2 GLU 489 1HB GLU 489 7.759 2.115 4.565 149 HB3 GLU 489 2HB GLU 489 6.505 0.987 4.064 150 HG2 GLU 489 1HG GLU 489 8.100 0.586 2.031 151 HG3 GLU 489 2HG GLU 489 9.319 1.233 3.127 152 H ILE 490 H ILE 490 4.235 2.269 2.706 153 HA ILE 490 HA ILE 490 3.633 4.458 4.584 154 HB ILE 490 HB ILE 490 1.408 4.614 3.312 155 HG12 ILE 490 1HG1 ILE 490 3.087 3.388 1.117 156 HG13 ILE 490 2HG1 ILE 490 1.831 2.519 1.992 157 HG21 ILE 490 1HG2 ILE 490 3.825 5.532 1.777 158 HG22 ILE 490 2HG2 ILE 490 2.251 6.316 1.908 159 HG23 ILE 490 3HG2 ILE 490 3.328 6.261 3.305 160 HD11 ILE 490 1HD1 ILE 490 1.559 4.091 -0.308 161 HD12 ILE 490 2HD1 ILE 490 0.284 3.325 0.640 162 HD13 ILE 490 3HD1 ILE 490 0.775 4.980 0.998 163 HA PRO 491 HA PRO 491 1.342 1.579 6.979 164 HB2 PRO 491 1HB PRO 491 -0.644 3.155 7.950 165 HB3 PRO 491 2HB PRO 491 1.032 3.272 8.501 166 HG2 PRO 491 1HG PRO 491 -0.431 4.968 6.515 167 HG3 PRO 491 2HG PRO 491 0.681 5.462 7.805 168 HD2 PRO 491 1HD PRO 491 1.447 5.276 5.214 169 HD3 PRO 491 2HD PRO 491 2.553 4.945 6.563 170 H LEU 492 H LEU 492 -0.960 0.790 7.376 171 HA LEU 492 HA LEU 492 -2.834 1.215 5.217 172 HB2 LEU 492 1HB LEU 492 -1.157 -1.221 5.445 173 HB3 LEU 492 2HB LEU 492 -2.854 -1.440 5.023 174 HG LEU 492 HG LEU 492 -1.962 0.553 3.300 175 HD11 LEU 492 1HD1 LEU 492 0.000 -1.627 2.926 176 HD12 LEU 492 2HD1 LEU 492 0.340 -0.451 4.196 177 HD13 LEU 492 3HD1 LEU 492 0.116 0.089 2.533 178 HD21 LEU 492 1HD2 LEU 492 -2.838 -0.828 1.761 179 HD22 LEU 492 2HD2 LEU 492 -3.338 -1.783 3.158 180 HD23 LEU 492 3HD2 LEU 492 -1.861 -2.199 2.286 181 H HIS 493 H HIS 493 -4.917 0.452 5.674 182 HA HIS 493 HA HIS 493 -5.362 -0.963 8.180 183 HB2 HIS 493 1HB HIS 493 -5.869 1.901 7.792 184 HB3 HIS 493 2HB HIS 493 -7.265 1.009 8.391 185 HD1 HIS 493 1HD HIS 493 -7.297 0.480 10.831 186 HD2 HIS 493 2HD HIS 493 -3.532 1.646 9.516 187 HE1 HIS 493 1HE HIS 493 -5.896 0.695 12.908 188 H ARG 494 H ARG 494 -7.034 -2.334 8.042 189 HA ARG 494 HA ARG 494 -8.250 -3.022 5.687 190 HB2 ARG 494 1HB ARG 494 -10.013 -4.115 7.104 191 HB3 ARG 494 2HB ARG 494 -8.359 -4.513 7.549 192 HG2 ARG 494 1HG ARG 494 -8.516 -2.746 9.325 193 HG3 ARG 494 2HG ARG 494 -10.239 -2.641 8.957 194 HD2 ARG 494 1HD ARG 494 -10.591 -4.910 9.594 195 HD3 ARG 494 2HD ARG 494 -8.857 -5.207 9.709 196 HE ARG 494 HE ARG 494 -9.326 -3.207 11.505 197 HH11 ARG 494 1HH1 ARG 494 -10.935 -6.682 12.674 198 HH12 ARG 494 2HH1 ARG 494 -10.597 -6.408 10.996 199 HH21 ARG 494 1HH2 ARG 494 -10.462 -5.058 14.220 200 HH22 ARG 494 2HH2 ARG 494 -9.766 -3.555 13.716 201 H GLY 495 H GLY 495 -9.575 -1.960 4.378 202 HA2 GLY 495 1HA GLY 495 -11.713 -0.987 3.934 203 HA3 GLY 495 2HA GLY 495 -11.710 -0.319 5.559 204 H GLU 496 H GLU 496 -8.679 0.140 4.364 205 HA GLU 496 HA GLU 496 -9.146 2.950 3.960 206 HB2 GLU 496 1HB GLU 496 -6.747 1.185 4.135 207 HB3 GLU 496 2HB GLU 496 -6.572 2.758 3.369 208 HG2 GLU 496 1HG GLU 496 -7.747 3.625 5.527 209 HG3 GLU 496 2HG GLU 496 -7.201 2.092 6.203 210 H ALA 497 H ALA 497 -8.327 4.123 2.074 211 HA ALA 497 HA ALA 497 -8.838 2.607 -0.395 212 HB1 ALA 497 1HB ALA 497 -9.624 5.244 0.536 213 HB2 ALA 497 2HB ALA 497 -8.903 5.281 -1.075 214 HB3 ALA 497 3HB ALA 497 -10.299 4.251 -0.757 215 H VAL 498 H VAL 498 -6.960 1.929 -1.233 216 HA VAL 498 HA VAL 498 -4.626 3.697 -1.159 217 HB VAL 498 HB VAL 498 -4.582 0.896 -2.230 218 HG11 VAL 498 1HG1 VAL 498 -2.594 2.218 -2.566 219 HG12 VAL 498 2HG1 VAL 498 -2.550 2.651 -0.856 220 HG13 VAL 498 3HG1 VAL 498 -2.270 0.981 -1.351 221 HG21 VAL 498 1HG2 VAL 498 -4.459 1.698 0.675 222 HG22 VAL 498 2HG2 VAL 498 -5.694 0.698 -0.091 223 HG23 VAL 498 3HG2 VAL 498 -4.040 0.104 0.048 224 H LYS 499 H LYS 499 -3.332 3.985 -3.082 225 HA LYS 499 HA LYS 499 -4.825 3.666 -5.597 226 HB2 LYS 499 1HB LYS 499 -4.665 6.064 -4.426 227 HB3 LYS 499 2HB LYS 499 -3.119 6.080 -5.264 228 HG2 LYS 499 1HG LYS 499 -4.369 6.984 -6.907 229 HG3 LYS 499 2HG LYS 499 -4.686 5.288 -7.280 230 HD2 LYS 499 1HD LYS 499 -6.794 6.351 -7.277 231 HD3 LYS 499 2HD LYS 499 -6.699 5.476 -5.747 232 HE2 LYS 499 1HE LYS 499 -7.460 7.489 -4.988 233 HE3 LYS 499 2HE LYS 499 -5.723 7.778 -4.899 234 HZ1 LYS 499 1HZ LYS 499 -7.704 8.922 -6.695 235 HZ2 LYS 499 2HZ LYS 499 -6.198 8.568 -7.378 236 HZ3 LYS 499 3HZ LYS 499 -6.300 9.611 -6.051 237 H VAL 500 H VAL 500 -3.609 2.020 -6.415 238 HA VAL 500 HA VAL 500 -0.791 1.850 -6.229 239 HB VAL 500 HB VAL 500 -2.659 0.533 -8.206 240 HG11 VAL 500 1HG1 VAL 500 -0.660 -1.166 -8.143 241 HG12 VAL 500 2HG1 VAL 500 -0.620 0.233 -9.218 242 HG13 VAL 500 3HG1 VAL 500 0.264 0.266 -7.692 243 HG21 VAL 500 1HG2 VAL 500 -3.075 0.069 -5.781 244 HG22 VAL 500 2HG2 VAL 500 -2.663 -1.353 -6.741 245 HG23 VAL 500 3HG2 VAL 500 -1.450 -0.614 -5.695 246 H LEU 501 H LEU 501 0.800 2.639 -7.478 247 HA LEU 501 HA LEU 501 0.057 3.990 -9.986 248 HB2 LEU 501 1HB LEU 501 1.405 5.056 -7.613 249 HB3 LEU 501 2HB LEU 501 2.230 5.401 -9.131 250 HG LEU 501 HG LEU 501 -0.003 6.328 -9.943 251 HD11 LEU 501 1HD1 LEU 501 -0.569 6.273 -6.982 252 HD12 LEU 501 2HD1 LEU 501 -1.405 5.329 -8.215 253 HD13 LEU 501 3HD1 LEU 501 -1.539 7.087 -8.209 254 HD21 LEU 501 1HD2 LEU 501 0.723 8.396 -9.404 255 HD22 LEU 501 2HD2 LEU 501 2.132 7.513 -8.817 256 HD23 LEU 501 3HD2 LEU 501 0.873 8.017 -7.688 257 H SER 502 H SER 502 2.558 2.371 -8.103 258 HA SER 502 HA SER 502 3.848 1.590 -10.627 259 HB2 SER 502 1HB SER 502 5.060 2.956 -8.283 260 HB3 SER 502 2HB SER 502 6.003 1.661 -9.021 261 HG SER 502 HG SER 502 6.377 3.772 -9.936 262 H ILE 503 H ILE 503 5.221 -0.350 -10.404 263 HA ILE 503 HA ILE 503 4.327 -2.107 -8.217 264 HB ILE 503 HB ILE 503 4.712 -2.973 -11.084 265 HG12 ILE 503 1HG1 ILE 503 2.722 -1.544 -10.828 266 HG13 ILE 503 2HG1 ILE 503 2.277 -3.212 -11.169 267 HG21 ILE 503 1HG2 ILE 503 4.779 -5.033 -10.267 268 HG22 ILE 503 2HG2 ILE 503 4.614 -4.408 -8.627 269 HG23 ILE 503 3HG2 ILE 503 3.175 -4.799 -9.569 270 HD11 ILE 503 1HD1 ILE 503 0.920 -2.022 -9.414 271 HD12 ILE 503 2HD1 ILE 503 1.594 -3.583 -8.948 272 HD13 ILE 503 3HD1 ILE 503 2.351 -2.093 -8.387 273 H GLY 504 H GLY 504 5.864 -3.338 -7.265 274 HA2 GLY 504 1HA GLY 504 8.621 -2.901 -8.150 275 HA3 GLY 504 2HA GLY 504 8.123 -3.500 -6.574 276 H GLU 505 H GLU 505 8.211 -5.628 -6.203 277 HA GLU 505 HA GLU 505 8.913 -7.357 -8.466 278 HB2 GLU 505 1HB GLU 505 9.230 -7.791 -5.491 279 HB3 GLU 505 2HB GLU 505 9.716 -8.936 -6.733 280 HG2 GLU 505 1HG GLU 505 11.298 -7.289 -7.619 281 HG3 GLU 505 2HG GLU 505 10.828 -6.166 -6.344 282 H GLY 506 H GLY 506 6.154 -6.457 -7.619 283 HA2 GLY 506 1HA GLY 506 4.135 -7.588 -8.063 284 HA3 GLY 506 2HA GLY 506 4.948 -9.115 -7.751 285 H GLY 507 H GLY 507 6.087 -7.853 -5.223 286 HA2 GLY 507 1HA GLY 507 3.703 -8.391 -3.582 287 HA3 GLY 507 2HA GLY 507 5.369 -8.588 -3.054 288 H PHE 508 H PHE 508 5.943 -5.913 -4.418 289 HA PHE 508 HA PHE 508 4.736 -4.176 -2.370 290 HB2 PHE 508 1HB PHE 508 7.414 -4.921 -2.470 291 HB3 PHE 508 2HB PHE 508 7.391 -3.319 -3.200 292 HD1 PHE 508 1HD PHE 508 8.117 -1.765 -1.679 293 HD2 PHE 508 2HD PHE 508 5.485 -4.849 -0.382 294 HE1 PHE 508 1HE PHE 508 8.030 -0.745 0.558 295 HE2 PHE 508 2HE PHE 508 5.394 -3.834 1.858 296 HZ PHE 508 HZ PHE 508 6.666 -1.779 2.330 297 H TRP 509 H TRP 509 3.510 -2.710 -3.336 298 HA TRP 509 HA TRP 509 4.375 -1.653 -5.947 299 HB2 TRP 509 1HB TRP 509 1.549 -1.761 -4.876 300 HB3 TRP 509 2HB TRP 509 2.049 -1.274 -6.493 301 HD1 TRP 509 HD TRP 509 4.182 -3.924 -6.502 302 HE1 TRP 509 1HE TRP 509 3.136 -6.176 -7.179 303 HE3 TRP 509 3HE TRP 509 -0.742 -2.804 -5.704 304 HZ2 TRP 509 2HZ TRP 509 0.564 -7.325 -7.352 305 HZ3 TRP 509 3HZ TRP 509 -2.433 -4.535 -6.150 306 HH2 TRP 509 HH TRP 509 -1.791 -6.748 -6.958 307 H GLU 510 H GLU 510 4.256 0.561 -6.320 308 HA GLU 510 HA GLU 510 4.243 2.186 -3.892 309 HB2 GLU 510 1HB GLU 510 6.091 2.945 -4.929 310 HB3 GLU 510 2HB GLU 510 5.585 2.314 -6.490 311 HG2 GLU 510 1HG GLU 510 5.806 4.707 -6.602 312 HG3 GLU 510 2HG GLU 510 4.113 4.252 -6.785 313 H GLY 511 H GLY 511 2.659 3.570 -3.403 314 HA2 GLY 511 1HA GLY 511 1.023 4.792 -5.441 315 HA3 GLY 511 2HA GLY 511 0.169 3.591 -4.483 316 H THR 512 H THR 512 -1.217 5.330 -3.799 317 HA THR 512 HA THR 512 -0.054 6.814 -1.545 318 HB THR 512 HB THR 512 -1.990 7.989 -3.549 319 HG1 THR 512 1HG THR 512 -0.188 9.369 -4.011 320 HG21 THR 512 1HG2 THR 512 -2.309 8.737 -1.191 321 HG22 THR 512 2HG2 THR 512 -1.822 10.031 -2.287 322 HG23 THR 512 3HG2 THR 512 -0.641 9.310 -1.193 323 H VAL 513 H VAL 513 -1.320 6.954 0.253 324 HA VAL 513 HA VAL 513 -4.126 6.201 0.127 325 HB VAL 513 HB VAL 513 -2.681 4.093 0.452 326 HG11 VAL 513 1HG1 VAL 513 -2.620 4.853 3.333 327 HG12 VAL 513 2HG1 VAL 513 -1.621 3.697 2.450 328 HG13 VAL 513 3HG1 VAL 513 -1.336 5.429 2.270 329 HG21 VAL 513 1HG2 VAL 513 -5.068 4.964 1.972 330 HG22 VAL 513 2HG2 VAL 513 -4.875 3.638 0.825 331 HG23 VAL 513 3HG2 VAL 513 -4.296 3.462 2.482 332 H LYS 514 H LYS 514 -5.328 7.184 1.663 333 HA LYS 514 HA LYS 514 -5.870 8.708 3.266 334 HB2 LYS 514 1HB LYS 514 -3.489 7.624 4.768 335 HB3 LYS 514 2HB LYS 514 -4.949 8.338 5.440 336 HG2 LYS 514 1HG LYS 514 -4.741 5.702 4.003 337 HG3 LYS 514 2HG LYS 514 -4.986 5.947 5.734 338 HD2 LYS 514 1HD LYS 514 -6.883 6.841 3.562 339 HD3 LYS 514 2HD LYS 514 -7.077 5.390 4.548 340 HE2 LYS 514 1HE LYS 514 -7.055 6.873 6.568 341 HE3 LYS 514 2HE LYS 514 -7.098 8.257 5.476 342 HZ1 LYS 514 1HZ LYS 514 -9.271 8.005 5.185 343 HZ2 LYS 514 2HZ LYS 514 -9.257 6.881 6.448 344 HZ3 LYS 514 3HZ LYS 514 -9.124 6.354 4.846 345 H GLY 515 H GLY 515 -3.850 9.447 1.203 346 HA2 GLY 515 1HA GLY 515 -3.028 11.620 0.787 347 HA3 GLY 515 2HA GLY 515 -2.951 11.898 2.520 348 H ARG 516 H ARG 516 -1.576 9.260 2.884 349 HA ARG 516 HA ARG 516 1.099 10.261 2.618 350 HB2 ARG 516 1HB ARG 516 0.103 7.556 3.533 351 HB3 ARG 516 2HB ARG 516 1.755 8.138 3.688 352 HG2 ARG 516 1HG ARG 516 1.055 8.682 5.755 353 HG3 ARG 516 2HG ARG 516 0.468 10.129 4.934 354 HD2 ARG 516 1HD ARG 516 -1.708 9.509 5.104 355 HD3 ARG 516 2HD ARG 516 -1.340 7.791 4.955 356 HE ARG 516 HE ARG 516 -1.334 7.667 7.229 357 HH11 ARG 516 1HH1 ARG 516 -0.779 11.569 7.932 358 HH12 ARG 516 2HH1 ARG 516 -0.761 10.974 6.305 359 HH21 ARG 516 1HH2 ARG 516 -1.119 10.125 9.678 360 HH22 ARG 516 2HH2 ARG 516 -1.359 8.438 9.375 361 H THR 517 H THR 517 2.779 9.413 1.379 362 HA THR 517 HA THR 517 1.927 7.715 -0.876 363 HB THR 517 HB THR 517 4.111 9.801 -0.958 364 HG1 THR 517 1HG THR 517 2.446 10.868 -2.342 365 HG21 THR 517 1HG2 THR 517 4.666 8.534 -2.748 366 HG22 THR 517 2HG2 THR 517 3.327 9.388 -3.515 367 HG23 THR 517 3HG2 THR 517 3.075 7.780 -2.836 368 H GLY 518 H GLY 518 3.338 6.121 -1.608 369 HA2 GLY 518 1HA GLY 518 5.914 5.583 -1.188 370 HA3 GLY 518 2HA GLY 518 5.247 5.211 0.395 371 H TRP 519 H TRP 519 6.314 3.102 -0.383 372 HA TRP 519 HA TRP 519 4.629 1.558 -2.185 373 HB2 TRP 519 1HB TRP 519 7.133 0.733 -0.702 374 HB3 TRP 519 2HB TRP 519 6.329 -0.183 -1.973 375 HD1 TRP 519 HD TRP 519 8.092 3.250 -1.557 376 HE1 TRP 519 1HE TRP 519 9.262 3.811 -3.781 377 HE3 TRP 519 3HE TRP 519 6.537 -0.757 -4.325 378 HZ2 TRP 519 2HZ TRP 519 9.495 2.701 -6.365 379 HZ3 TRP 519 3HZ TRP 519 7.278 -0.932 -6.666 380 HH2 TRP 519 HH TRP 519 8.725 0.762 -7.662 381 H PHE 520 H PHE 520 3.750 -0.510 -1.574 382 HA PHE 520 HA PHE 520 3.498 -1.086 1.261 383 HB2 PHE 520 1HB PHE 520 0.972 -1.198 1.042 384 HB3 PHE 520 2HB PHE 520 1.668 0.419 1.073 385 HD1 PHE 520 1HD PHE 520 0.208 -2.170 -1.111 386 HD2 PHE 520 2HD PHE 520 1.421 1.894 -0.756 387 HE1 PHE 520 1HE PHE 520 -0.931 -1.648 -3.228 388 HE2 PHE 520 2HE PHE 520 0.284 2.423 -2.872 389 HZ PHE 520 HZ PHE 520 -0.896 0.651 -4.110 390 HA PRO 521 HA PRO 521 3.350 -5.248 -0.118 391 HB2 PRO 521 1HB PRO 521 1.813 -6.405 1.798 392 HB3 PRO 521 2HB PRO 521 3.471 -5.868 2.091 393 HG2 PRO 521 1HG PRO 521 0.890 -4.500 2.751 394 HG3 PRO 521 2HG PRO 521 2.355 -4.661 3.737 395 HD2 PRO 521 1HD PRO 521 1.763 -2.402 2.367 396 HD3 PRO 521 2HD PRO 521 3.431 -2.940 2.645 397 H ALA 522 H ALA 522 2.274 -5.760 -1.923 398 HA ALA 522 HA ALA 522 -0.341 -5.073 -2.567 399 HB1 ALA 522 1HB ALA 522 -0.164 -6.629 -4.399 400 HB2 ALA 522 2HB ALA 522 1.378 -5.799 -4.190 401 HB3 ALA 522 3HB ALA 522 1.182 -7.454 -3.614 402 H ASP 523 H ASP 523 0.877 -7.725 -0.685 403 HA ASP 523 HA ASP 523 -1.398 -9.408 -0.846 404 HB2 ASP 523 1HB ASP 523 0.831 -10.181 -0.088 405 HB3 ASP 523 2HB ASP 523 0.651 -9.213 1.372 406 H CYS 524 H CYS 524 -0.957 -6.411 0.598 407 HA CYS 524 HA CYS 524 -3.157 -6.889 2.498 408 HB2 CYS 524 1HB CYS 524 -1.083 -4.687 2.539 409 HB3 CYS 524 2HB CYS 524 -2.350 -4.934 3.734 410 HG CYS 524 HG CYS 524 -0.791 -6.258 5.275 411 H VAL 525 H VAL 525 -2.857 -5.967 -0.508 412 HA VAL 525 HA VAL 525 -4.982 -3.956 -0.296 413 HB VAL 525 HB VAL 525 -4.031 -2.505 -1.899 414 HG11 VAL 525 1HG1 VAL 525 -2.458 -1.559 -0.591 415 HG12 VAL 525 2HG1 VAL 525 -2.902 -2.846 0.532 416 HG13 VAL 525 3HG1 VAL 525 -1.491 -3.032 -0.510 417 HG21 VAL 525 1HG2 VAL 525 -2.514 -4.862 -2.652 418 HG22 VAL 525 2HG2 VAL 525 -2.931 -3.436 -3.603 419 HG23 VAL 525 3HG2 VAL 525 -1.507 -3.417 -2.563 420 H GLU 526 H GLU 526 -6.272 -3.743 -2.244 421 HA GLU 526 HA GLU 526 -5.972 -5.746 -4.309 422 HB2 GLU 526 1HB GLU 526 -7.994 -5.959 -2.145 423 HB3 GLU 526 2HB GLU 526 -8.541 -6.306 -3.779 424 HG2 GLU 526 1HG GLU 526 -6.368 -7.805 -3.805 425 HG3 GLU 526 2HG GLU 526 -6.630 -7.784 -2.063 426 H GLU 527 H GLU 527 -6.868 -5.116 -6.204 427 HA GLU 527 HA GLU 527 -7.578 -2.467 -6.627 428 HB2 GLU 527 1HB GLU 527 -7.007 -4.557 -8.248 429 HB3 GLU 527 2HB GLU 527 -8.743 -4.438 -8.498 430 HG2 GLU 527 1HG GLU 527 -7.690 -1.820 -8.633 431 HG3 GLU 527 2HG GLU 527 -6.662 -2.861 -9.617 432 H VAL 528 H VAL 528 -9.655 -1.629 -7.471 433 HA VAL 528 HA VAL 528 -11.697 -1.745 -5.650 434 HB VAL 528 HB VAL 528 -13.203 -0.951 -7.548 435 HG11 VAL 528 1HG1 VAL 528 -12.405 1.192 -7.342 436 HG12 VAL 528 2HG1 VAL 528 -11.598 0.410 -5.981 437 HG13 VAL 528 3HG1 VAL 528 -10.719 0.695 -7.483 438 HG21 VAL 528 1HG2 VAL 528 -11.223 -2.090 -9.121 439 HG22 VAL 528 2HG2 VAL 528 -12.534 -1.047 -9.674 440 HG23 VAL 528 3HG2 VAL 528 -10.961 -0.354 -9.283 441 H GLN 529 H GLN 529 -12.570 -3.610 -4.961 442 HA GLN 529 HA GLN 529 -13.308 -5.680 -6.870 443 HB2 GLN 529 1HB GLN 529 -13.285 -5.552 -3.859 444 HB3 GLN 529 2HB GLN 529 -14.004 -6.898 -4.733 445 HG2 GLN 529 1HG GLN 529 -11.128 -6.023 -4.780 446 HG3 GLN 529 2HG GLN 529 -11.790 -7.502 -4.086 447 HE21 GLN 529 1HE2 GLN 529 -10.985 -7.218 -8.047 448 HE22 GLN 529 2HE2 GLN 529 -10.880 -5.853 -6.992 449 H MET 530 H MET 530 -14.725 -2.994 -5.413 450 HA MET 530 HA MET 530 -17.424 -4.078 -5.887 451 HB2 MET 530 1HB MET 530 -16.672 -1.819 -4.026 452 HB3 MET 530 2HB MET 530 -18.270 -2.524 -4.227 453 HG2 MET 530 1HG MET 530 -15.891 -4.076 -3.247 454 HG3 MET 530 2HG MET 530 -17.014 -3.236 -2.180 455 HE1 MET 530 1HE MET 530 -19.482 -4.371 -1.475 456 HE2 MET 530 2HE MET 530 -19.645 -3.443 -2.965 457 HE3 MET 530 3HE MET 530 -20.364 -5.049 -2.844 Start of MODEL 23 1 H1 MET 470 H MET 470 -13.074 -2.064 -18.999 2 HA MET 470 HA MET 470 -11.461 -0.160 -20.356 3 HB2 MET 470 1HB MET 470 -13.136 1.728 -20.191 4 HB3 MET 470 2HB MET 470 -13.434 0.553 -21.465 5 HG2 MET 470 1HG MET 470 -15.169 -0.485 -20.190 6 HG3 MET 470 2HG MET 470 -14.787 0.500 -18.781 7 HE1 MET 470 1HE MET 470 -17.285 1.132 -18.522 8 HE2 MET 470 2HE MET 470 -16.232 2.506 -18.184 9 HE3 MET 470 3HE MET 470 -17.710 2.737 -19.120 10 H VAL 471 H VAL 471 -10.468 1.218 -18.940 11 HA VAL 471 HA VAL 471 -11.260 0.952 -16.113 12 HB VAL 471 HB VAL 471 -9.097 -0.009 -16.411 13 HG11 VAL 471 1HG1 VAL 471 -8.790 2.101 -18.352 14 HG12 VAL 471 2HG1 VAL 471 -7.408 2.045 -17.255 15 HG13 VAL 471 3HG1 VAL 471 -7.873 0.606 -18.164 16 HG21 VAL 471 1HG2 VAL 471 -8.123 1.001 -14.649 17 HG22 VAL 471 2HG2 VAL 471 -8.149 2.590 -15.412 18 HG23 VAL 471 3HG2 VAL 471 -9.600 1.965 -14.628 19 HA PRO 472 HA PRO 472 -12.047 5.369 -17.130 20 HB2 PRO 472 1HB PRO 472 -14.168 5.594 -15.450 21 HB3 PRO 472 2HB PRO 472 -14.310 4.975 -17.101 22 HG2 PRO 472 1HG PRO 472 -14.146 3.467 -14.520 23 HG3 PRO 472 2HG PRO 472 -15.201 3.182 -15.917 24 HD2 PRO 472 1HD PRO 472 -12.956 1.736 -15.467 25 HD3 PRO 472 2HD PRO 472 -13.547 2.095 -17.101 26 H GLY 473 H GLY 473 -11.451 3.599 -14.209 27 HA2 GLY 473 1HA GLY 473 -9.967 5.798 -13.103 28 HA3 GLY 473 2HA GLY 473 -11.451 5.469 -12.219 29 H ARG 474 H ARG 474 -8.281 4.967 -12.079 30 HA ARG 474 HA ARG 474 -8.362 2.170 -11.256 31 HB2 ARG 474 1HB ARG 474 -6.477 3.278 -12.634 32 HB3 ARG 474 2HB ARG 474 -5.954 3.963 -11.101 33 HG2 ARG 474 1HG ARG 474 -4.899 2.087 -10.593 34 HG3 ARG 474 2HG ARG 474 -6.399 1.170 -10.754 35 HD2 ARG 474 1HD ARG 474 -5.832 0.375 -12.772 36 HD3 ARG 474 2HD ARG 474 -5.195 1.929 -13.307 37 HE ARG 474 HE ARG 474 -3.388 0.886 -11.474 38 HH11 ARG 474 1HH1 ARG 474 -3.232 -0.744 -15.126 39 HH12 ARG 474 2HH1 ARG 474 -4.665 0.081 -14.610 40 HH21 ARG 474 1HH2 ARG 474 -1.430 -0.903 -13.721 41 HH22 ARG 474 2HH2 ARG 474 -1.495 -0.199 -12.142 42 H LYS 475 H LYS 475 -8.972 1.717 -9.253 43 HA LYS 475 HA LYS 475 -7.930 3.350 -7.054 44 HB2 LYS 475 1HB LYS 475 -10.081 4.251 -7.163 45 HB3 LYS 475 2HB LYS 475 -10.807 2.717 -7.620 46 HG2 LYS 475 1HG LYS 475 -10.869 1.942 -5.459 47 HG3 LYS 475 2HG LYS 475 -9.544 2.985 -4.935 48 HD2 LYS 475 1HD LYS 475 -11.587 3.806 -3.975 49 HD3 LYS 475 2HD LYS 475 -11.056 4.943 -5.217 50 HE2 LYS 475 1HE LYS 475 -13.167 4.789 -5.958 51 HE3 LYS 475 2HE LYS 475 -12.638 3.259 -6.658 52 HZ1 LYS 475 1HZ LYS 475 -14.478 3.743 -4.517 53 HZ2 LYS 475 2HZ LYS 475 -13.293 2.611 -4.100 54 HZ3 LYS 475 3HZ LYS 475 -14.265 2.357 -5.462 55 H PHE 476 H PHE 476 -7.578 2.243 -5.130 56 HA PHE 476 HA PHE 476 -8.038 -0.663 -5.207 57 HB2 PHE 476 1HB PHE 476 -5.508 0.842 -4.773 58 HB3 PHE 476 2HB PHE 476 -5.773 -0.590 -3.782 59 HD1 PHE 476 1HD PHE 476 -5.353 -2.715 -4.633 60 HD2 PHE 476 2HD PHE 476 -5.672 0.588 -7.299 61 HE1 PHE 476 1HE PHE 476 -4.583 -4.140 -6.486 62 HE2 PHE 476 2HE PHE 476 -4.904 -0.831 -9.155 63 HZ PHE 476 HZ PHE 476 -4.360 -3.199 -8.751 64 H ILE 477 H ILE 477 -7.944 -1.689 -3.049 65 HA ILE 477 HA ILE 477 -8.601 0.144 -0.852 66 HB ILE 477 HB ILE 477 -10.708 -0.723 -1.892 67 HG12 ILE 477 1HG1 ILE 477 -11.378 -1.856 0.488 68 HG13 ILE 477 2HG1 ILE 477 -9.898 -1.013 0.933 69 HG21 ILE 477 1HG2 ILE 477 -11.148 -2.908 -2.172 70 HG22 ILE 477 2HG2 ILE 477 -9.396 -3.086 -2.084 71 HG23 ILE 477 3HG2 ILE 477 -10.384 -3.363 -0.650 72 HD11 ILE 477 1HD1 ILE 477 -12.545 0.031 0.392 73 HD12 ILE 477 2HD1 ILE 477 -11.181 0.773 1.229 74 HD13 ILE 477 3HD1 ILE 477 -11.291 0.860 -0.530 75 H ALA 478 H ALA 478 -7.764 -0.419 1.078 76 HA ALA 478 HA ALA 478 -5.940 -2.649 1.172 77 HB1 ALA 478 1HB ALA 478 -6.094 -1.570 3.729 78 HB2 ALA 478 2HB ALA 478 -4.900 -1.187 2.487 79 HB3 ALA 478 3HB ALA 478 -6.353 -0.200 2.648 80 H VAL 479 H VAL 479 -6.252 -4.583 2.093 81 HA VAL 479 HA VAL 479 -8.825 -5.049 3.441 82 HB VAL 479 HB VAL 479 -8.312 -7.490 2.964 83 HG11 VAL 479 1HG1 VAL 479 -9.609 -7.330 1.138 84 HG12 VAL 479 2HG1 VAL 479 -9.613 -5.603 1.497 85 HG13 VAL 479 3HG1 VAL 479 -8.483 -6.255 0.311 86 HG21 VAL 479 1HG2 VAL 479 -5.842 -6.478 2.227 87 HG22 VAL 479 2HG2 VAL 479 -6.436 -8.111 1.930 88 HG23 VAL 479 3HG2 VAL 479 -6.620 -6.868 0.694 89 H LYS 480 H LYS 480 -5.433 -4.991 3.907 90 HA LYS 480 HA LYS 480 -5.785 -6.154 6.590 91 HB2 LYS 480 1HB LYS 480 -3.174 -6.334 5.123 92 HB3 LYS 480 2HB LYS 480 -3.755 -7.305 6.470 93 HG2 LYS 480 1HG LYS 480 -4.809 -7.421 3.650 94 HG3 LYS 480 2HG LYS 480 -3.690 -8.572 4.382 95 HD2 LYS 480 1HD LYS 480 -6.110 -8.130 5.958 96 HD3 LYS 480 2HD LYS 480 -6.425 -8.799 4.354 97 HE2 LYS 480 1HE LYS 480 -6.117 -10.696 5.651 98 HE3 LYS 480 2HE LYS 480 -4.526 -10.454 4.934 99 HZ1 LYS 480 1HZ LYS 480 -3.616 -10.090 6.921 100 HZ2 LYS 480 2HZ LYS 480 -5.025 -10.756 7.576 101 HZ3 LYS 480 3HZ LYS 480 -4.871 -9.078 7.433 102 H ALA 481 H ALA 481 -3.496 -5.584 7.798 103 HA ALA 481 HA ALA 481 -3.294 -2.650 7.608 104 HB1 ALA 481 1HB ALA 481 -2.428 -3.942 10.106 105 HB2 ALA 481 2HB ALA 481 -3.374 -2.474 9.852 106 HB3 ALA 481 3HB ALA 481 -4.153 -4.054 9.749 107 H HIS 482 H HIS 482 -1.245 -1.674 7.976 108 HA HIS 482 HA HIS 482 1.130 -3.245 8.243 109 HB2 HIS 482 1HB HIS 482 0.630 -3.697 5.882 110 HB3 HIS 482 2HB HIS 482 0.570 -1.968 5.556 111 HD1 HIS 482 1HD HIS 482 3.000 -4.713 6.414 112 HD2 HIS 482 2HD HIS 482 3.018 -0.755 5.150 113 HE1 HIS 482 1HE HIS 482 5.385 -4.217 5.792 114 H SER 483 H SER 483 3.029 -1.962 8.456 115 HA SER 483 HA SER 483 2.498 0.921 8.764 116 HB2 SER 483 1HB SER 483 4.628 0.066 10.490 117 HB3 SER 483 2HB SER 483 3.091 0.815 10.921 118 HG SER 483 HG SER 483 2.356 -1.066 11.504 119 HA PRO 484 HA PRO 484 6.002 1.750 6.258 120 HB2 PRO 484 1HB PRO 484 7.010 3.983 7.429 121 HB3 PRO 484 2HB PRO 484 5.509 3.981 6.494 122 HG2 PRO 484 1HG PRO 484 5.893 3.886 9.462 123 HG3 PRO 484 2HG PRO 484 4.728 4.830 8.515 124 HD2 PRO 484 1HD PRO 484 4.055 2.532 9.779 125 HD3 PRO 484 2HD PRO 484 3.298 3.041 8.256 126 H GLN 485 H GLN 485 7.612 0.283 6.378 127 HA GLN 485 HA GLN 485 9.016 -0.517 8.628 128 HB2 GLN 485 1HB GLN 485 9.365 -0.753 5.720 129 HB3 GLN 485 2HB GLN 485 10.863 -0.855 6.635 130 HG2 GLN 485 1HG GLN 485 9.543 -3.009 6.108 131 HG3 GLN 485 2HG GLN 485 10.237 -2.787 7.713 132 HE21 GLN 485 1HE2 GLN 485 6.184 -2.356 7.270 133 HE22 GLN 485 2HE2 GLN 485 7.258 -1.875 6.004 134 H GLY 486 H GLY 486 9.423 2.306 6.648 135 HA2 GLY 486 1HA GLY 486 10.840 3.811 8.434 136 HA3 GLY 486 2HA GLY 486 12.078 2.921 7.560 137 H GLU 487 H GLU 487 12.163 3.180 5.220 138 HA GLU 487 HA GLU 487 11.044 5.760 4.337 139 HB2 GLU 487 1HB GLU 487 13.697 4.703 3.391 140 HB3 GLU 487 2HB GLU 487 13.059 6.337 3.258 141 HG2 GLU 487 1HG GLU 487 13.112 6.231 5.877 142 HG3 GLU 487 2HG GLU 487 14.309 4.971 5.584 143 H GLY 488 H GLY 488 9.900 5.700 2.510 144 HA2 GLY 488 1HA GLY 488 9.334 5.046 0.337 145 HA3 GLY 488 2HA GLY 488 10.475 3.715 0.465 146 H GLU 489 H GLU 489 8.179 4.204 3.008 147 HA GLU 489 HA GLU 489 6.373 2.189 1.900 148 HB2 GLU 489 1HB GLU 489 7.755 1.941 4.576 149 HB3 GLU 489 2HB GLU 489 6.417 0.931 4.048 150 HG2 GLU 489 1HG GLU 489 7.964 -0.463 3.286 151 HG3 GLU 489 2HG GLU 489 8.205 0.697 1.981 152 H ILE 490 H ILE 490 4.275 2.373 2.576 153 HA ILE 490 HA ILE 490 3.701 4.570 4.456 154 HB ILE 490 HB ILE 490 1.458 4.654 3.170 155 HG12 ILE 490 1HG1 ILE 490 3.233 3.347 1.097 156 HG13 ILE 490 2HG1 ILE 490 1.831 2.603 1.859 157 HG21 ILE 490 1HG2 ILE 490 3.820 5.624 1.600 158 HG22 ILE 490 2HG2 ILE 490 2.259 6.404 1.852 159 HG23 ILE 490 3HG2 ILE 490 3.420 6.308 3.176 160 HD11 ILE 490 1HD1 ILE 490 0.877 4.990 0.817 161 HD12 ILE 490 2HD1 ILE 490 1.974 4.363 -0.414 162 HD13 ILE 490 3HD1 ILE 490 0.636 3.370 0.165 163 HA PRO 491 HA PRO 491 1.363 1.824 6.956 164 HB2 PRO 491 1HB PRO 491 -0.657 3.431 7.799 165 HB3 PRO 491 2HB PRO 491 1.006 3.596 8.376 166 HG2 PRO 491 1HG PRO 491 -0.432 5.164 6.270 167 HG3 PRO 491 2HG PRO 491 0.649 5.740 7.551 168 HD2 PRO 491 1HD PRO 491 1.467 5.419 4.990 169 HD3 PRO 491 2HD PRO 491 2.549 5.174 6.376 170 H LEU 492 H LEU 492 -0.918 1.004 7.340 171 HA LEU 492 HA LEU 492 -2.790 1.316 5.168 172 HB2 LEU 492 1HB LEU 492 -1.224 -1.214 5.562 173 HB3 LEU 492 2HB LEU 492 -2.804 -1.207 4.781 174 HG LEU 492 HG LEU 492 -0.310 0.188 3.812 175 HD11 LEU 492 1HD1 LEU 492 -0.839 -1.402 1.833 176 HD12 LEU 492 2HD1 LEU 492 -1.749 -2.315 3.036 177 HD13 LEU 492 3HD1 LEU 492 -0.022 -2.037 3.261 178 HD21 LEU 492 1HD2 LEU 492 -1.646 1.545 2.673 179 HD22 LEU 492 2HD2 LEU 492 -3.080 0.723 3.288 180 HD23 LEU 492 3HD2 LEU 492 -2.289 0.138 1.824 181 H HIS 493 H HIS 493 -4.850 0.578 5.668 182 HA HIS 493 HA HIS 493 -5.264 -0.878 8.155 183 HB2 HIS 493 1HB HIS 493 -5.722 1.991 7.854 184 HB3 HIS 493 2HB HIS 493 -7.163 1.124 8.379 185 HD1 HIS 493 1HD HIS 493 -7.283 0.500 10.796 186 HD2 HIS 493 2HD HIS 493 -3.453 1.620 9.640 187 HE1 HIS 493 1HE HIS 493 -5.943 0.605 12.922 188 H ARG 494 H ARG 494 -6.958 -2.228 8.033 189 HA ARG 494 HA ARG 494 -8.216 -2.837 5.657 190 HB2 ARG 494 1HB ARG 494 -9.899 -4.045 7.064 191 HB3 ARG 494 2HB ARG 494 -8.227 -4.419 7.454 192 HG2 ARG 494 1HG ARG 494 -8.367 -2.797 9.334 193 HG3 ARG 494 2HG ARG 494 -10.087 -2.615 8.982 194 HD2 ARG 494 1HD ARG 494 -8.744 -5.234 9.634 195 HD3 ARG 494 2HD ARG 494 -9.589 -4.228 10.811 196 HE ARG 494 HE ARG 494 -10.769 -5.954 8.847 197 HH11 ARG 494 1HH1 ARG 494 -12.975 -3.222 10.770 198 HH12 ARG 494 2HH1 ARG 494 -11.247 -3.103 10.788 199 HH21 ARG 494 1HH2 ARG 494 -13.997 -4.939 9.648 200 HH22 ARG 494 2HH2 ARG 494 -13.043 -6.121 8.816 201 H GLY 495 H GLY 495 -9.663 -1.799 4.462 202 HA2 GLY 495 1HA GLY 495 -11.890 -0.880 4.259 203 HA3 GLY 495 2HA GLY 495 -11.664 -0.118 5.827 204 H GLU 496 H GLU 496 -8.806 0.487 4.733 205 HA GLU 496 HA GLU 496 -9.429 3.153 3.906 206 HB2 GLU 496 1HB GLU 496 -6.823 1.638 4.079 207 HB3 GLU 496 2HB GLU 496 -6.931 3.329 3.606 208 HG2 GLU 496 1HG GLU 496 -7.167 2.085 6.254 209 HG3 GLU 496 2HG GLU 496 -6.569 3.678 5.791 210 H ALA 497 H ALA 497 -8.574 4.145 1.926 211 HA ALA 497 HA ALA 497 -8.872 2.316 -0.360 212 HB1 ALA 497 1HB ALA 497 -10.536 4.175 -0.089 213 HB2 ALA 497 2HB ALA 497 -9.219 5.306 -0.396 214 HB3 ALA 497 3HB ALA 497 -9.692 4.146 -1.637 215 H VAL 498 H VAL 498 -7.027 1.783 -1.312 216 HA VAL 498 HA VAL 498 -4.749 3.622 -1.174 217 HB VAL 498 HB VAL 498 -4.629 0.815 -2.242 218 HG11 VAL 498 1HG1 VAL 498 -2.671 2.114 -2.659 219 HG12 VAL 498 2HG1 VAL 498 -2.630 2.692 -0.993 220 HG13 VAL 498 3HG1 VAL 498 -2.300 0.997 -1.347 221 HG21 VAL 498 1HG2 VAL 498 -5.691 0.636 -0.073 222 HG22 VAL 498 2HG2 VAL 498 -4.026 0.065 0.029 223 HG23 VAL 498 3HG2 VAL 498 -4.449 1.660 0.649 224 H LYS 499 H LYS 499 -3.429 3.958 -3.076 225 HA LYS 499 HA LYS 499 -4.896 3.649 -5.610 226 HB2 LYS 499 1HB LYS 499 -4.657 6.043 -4.369 227 HB3 LYS 499 2HB LYS 499 -3.184 6.044 -5.329 228 HG2 LYS 499 1HG LYS 499 -4.820 7.117 -6.634 229 HG3 LYS 499 2HG LYS 499 -4.628 5.506 -7.326 230 HD2 LYS 499 1HD LYS 499 -6.931 5.743 -7.252 231 HD3 LYS 499 2HD LYS 499 -6.595 4.874 -5.754 232 HE2 LYS 499 1HE LYS 499 -6.529 7.818 -5.585 233 HE3 LYS 499 2HE LYS 499 -8.109 7.101 -5.895 234 HZ1 LYS 499 1HZ LYS 499 -7.073 5.563 -3.904 235 HZ2 LYS 499 2HZ LYS 499 -8.209 6.802 -3.708 236 HZ3 LYS 499 3HZ LYS 499 -6.563 7.121 -3.486 237 H VAL 500 H VAL 500 -3.684 2.019 -6.454 238 HA VAL 500 HA VAL 500 -0.873 1.812 -6.242 239 HB VAL 500 HB VAL 500 -2.766 0.569 -8.240 240 HG11 VAL 500 1HG1 VAL 500 -0.657 -1.103 -8.178 241 HG12 VAL 500 2HG1 VAL 500 -0.853 0.180 -9.374 242 HG13 VAL 500 3HG1 VAL 500 0.166 0.442 -7.958 243 HG21 VAL 500 1HG2 VAL 500 -2.624 -1.402 -6.852 244 HG22 VAL 500 2HG2 VAL 500 -1.475 -0.603 -5.778 245 HG23 VAL 500 3HG2 VAL 500 -3.141 -0.032 -5.869 246 H LEU 501 H LEU 501 0.754 2.563 -7.483 247 HA LEU 501 HA LEU 501 0.055 4.039 -9.931 248 HB2 LEU 501 1HB LEU 501 1.993 4.867 -7.778 249 HB3 LEU 501 2HB LEU 501 1.861 5.651 -9.351 250 HG LEU 501 HG LEU 501 -0.241 5.581 -7.188 251 HD11 LEU 501 1HD1 LEU 501 0.536 8.178 -8.104 252 HD12 LEU 501 2HD1 LEU 501 1.963 7.273 -7.599 253 HD13 LEU 501 3HD1 LEU 501 0.619 7.495 -6.480 254 HD21 LEU 501 1HD2 LEU 501 -0.328 6.844 -9.925 255 HD22 LEU 501 2HD2 LEU 501 -1.548 7.024 -8.662 256 HD23 LEU 501 3HD2 LEU 501 -1.265 5.445 -9.400 257 H SER 502 H SER 502 2.685 2.518 -8.091 258 HA SER 502 HA SER 502 3.862 1.672 -10.655 259 HB2 SER 502 1HB SER 502 5.119 3.032 -8.343 260 HB3 SER 502 2HB SER 502 6.039 1.707 -9.055 261 HG SER 502 HG SER 502 5.562 2.840 -11.126 262 H ILE 503 H ILE 503 5.316 -0.251 -10.411 263 HA ILE 503 HA ILE 503 4.348 -2.054 -8.291 264 HB ILE 503 HB ILE 503 4.878 -2.816 -11.167 265 HG12 ILE 503 1HG1 ILE 503 2.794 -1.546 -10.905 266 HG13 ILE 503 2HG1 ILE 503 2.459 -3.232 -11.285 267 HG21 ILE 503 1HG2 ILE 503 3.463 -4.829 -9.828 268 HG22 ILE 503 2HG2 ILE 503 5.131 -4.881 -10.395 269 HG23 ILE 503 3HG2 ILE 503 4.775 -4.358 -8.749 270 HD11 ILE 503 1HD1 ILE 503 2.377 -2.061 -8.515 271 HD12 ILE 503 2HD1 ILE 503 0.972 -2.287 -9.559 272 HD13 ILE 503 3HD1 ILE 503 1.890 -3.685 -9.000 273 H GLY 504 H GLY 504 5.863 -3.206 -7.232 274 HA2 GLY 504 1HA GLY 504 8.650 -2.679 -7.900 275 HA3 GLY 504 2HA GLY 504 8.054 -3.415 -6.419 276 H GLU 505 H GLU 505 8.801 -5.410 -6.210 277 HA GLU 505 HA GLU 505 9.612 -6.960 -8.496 278 HB2 GLU 505 1HB GLU 505 9.804 -7.219 -5.546 279 HB3 GLU 505 2HB GLU 505 9.827 -8.713 -6.472 280 HG2 GLU 505 1HG GLU 505 11.619 -7.306 -7.872 281 HG3 GLU 505 2HG GLU 505 11.834 -6.560 -6.290 282 H GLY 506 H GLY 506 6.800 -6.693 -6.514 283 HA2 GLY 506 1HA GLY 506 4.929 -7.839 -7.974 284 HA3 GLY 506 2HA GLY 506 5.758 -9.279 -7.401 285 H GLY 507 H GLY 507 6.370 -7.876 -4.812 286 HA2 GLY 507 1HA GLY 507 3.692 -8.241 -3.622 287 HA3 GLY 507 2HA GLY 507 5.200 -8.629 -2.808 288 H PHE 508 H PHE 508 5.730 -5.834 -4.464 289 HA PHE 508 HA PHE 508 4.693 -4.096 -2.344 290 HB2 PHE 508 1HB PHE 508 7.344 -4.912 -2.409 291 HB3 PHE 508 2HB PHE 508 7.380 -3.329 -3.180 292 HD1 PHE 508 1HD PHE 508 5.448 -4.755 -0.323 293 HD2 PHE 508 2HD PHE 508 8.100 -1.728 -1.709 294 HE1 PHE 508 1HE PHE 508 5.374 -3.681 1.890 295 HE2 PHE 508 2HE PHE 508 8.031 -0.649 0.501 296 HZ PHE 508 HZ PHE 508 6.666 -1.627 2.304 297 H TRP 509 H TRP 509 3.462 -2.669 -3.368 298 HA TRP 509 HA TRP 509 4.393 -1.610 -5.956 299 HB2 TRP 509 1HB TRP 509 1.547 -1.717 -4.937 300 HB3 TRP 509 2HB TRP 509 2.075 -1.210 -6.539 301 HD1 TRP 509 HD TRP 509 4.214 -3.887 -6.460 302 HE1 TRP 509 1HE TRP 509 3.179 -6.120 -7.216 303 HE3 TRP 509 3HE TRP 509 -0.733 -2.710 -5.933 304 HZ2 TRP 509 2HZ TRP 509 0.607 -7.235 -7.545 305 HZ3 TRP 509 3HZ TRP 509 -2.417 -4.415 -6.489 306 HH2 TRP 509 HH TRP 509 -1.759 -6.629 -7.278 307 H GLU 510 H GLU 510 4.220 0.611 -6.354 308 HA GLU 510 HA GLU 510 4.216 2.241 -3.928 309 HB2 GLU 510 1HB GLU 510 6.054 3.015 -4.970 310 HB3 GLU 510 2HB GLU 510 5.553 2.368 -6.526 311 HG2 GLU 510 1HG GLU 510 5.748 4.755 -6.669 312 HG3 GLU 510 2HG GLU 510 4.055 4.293 -6.823 313 H GLY 511 H GLY 511 2.653 3.659 -3.452 314 HA2 GLY 511 1HA GLY 511 1.002 4.865 -5.475 315 HA3 GLY 511 2HA GLY 511 0.150 3.650 -4.533 316 H THR 512 H THR 512 -1.253 5.345 -3.812 317 HA THR 512 HA THR 512 -0.099 6.838 -1.560 318 HB THR 512 HB THR 512 -1.992 7.964 -3.629 319 HG1 THR 512 1HG THR 512 0.419 9.162 -2.818 320 HG21 THR 512 1HG2 THR 512 -1.474 8.728 -0.836 321 HG22 THR 512 2HG2 THR 512 -2.847 9.102 -1.879 322 HG23 THR 512 3HG2 THR 512 -1.364 10.047 -2.002 323 H VAL 513 H VAL 513 -1.336 6.913 0.257 324 HA VAL 513 HA VAL 513 -4.134 6.134 0.158 325 HB VAL 513 HB VAL 513 -2.680 4.030 0.407 326 HG11 VAL 513 1HG1 VAL 513 -1.564 3.594 2.363 327 HG12 VAL 513 2HG1 VAL 513 -1.292 5.332 2.218 328 HG13 VAL 513 3HG1 VAL 513 -2.544 4.720 3.301 329 HG21 VAL 513 1HG2 VAL 513 -4.231 3.313 2.433 330 HG22 VAL 513 2HG2 VAL 513 -5.012 4.847 2.054 331 HG23 VAL 513 3HG2 VAL 513 -4.882 3.596 0.818 332 H LYS 514 H LYS 514 -5.315 7.109 1.706 333 HA LYS 514 HA LYS 514 -5.853 8.551 3.383 334 HB2 LYS 514 1HB LYS 514 -3.390 7.437 4.733 335 HB3 LYS 514 2HB LYS 514 -4.750 8.228 5.517 336 HG2 LYS 514 1HG LYS 514 -5.002 5.668 3.960 337 HG3 LYS 514 2HG LYS 514 -4.701 5.730 5.698 338 HD2 LYS 514 1HD LYS 514 -6.962 5.638 5.789 339 HD3 LYS 514 2HD LYS 514 -6.812 7.380 5.551 340 HE2 LYS 514 1HE LYS 514 -6.802 6.605 2.997 341 HE3 LYS 514 2HE LYS 514 -7.729 5.271 3.682 342 HZ1 LYS 514 1HZ LYS 514 -9.438 6.646 4.287 343 HZ2 LYS 514 2HZ LYS 514 -8.920 7.420 2.875 344 HZ3 LYS 514 3HZ LYS 514 -8.462 8.025 4.388 345 H GLY 515 H GLY 515 -3.809 9.311 1.276 346 HA2 GLY 515 1HA GLY 515 -3.071 11.509 0.830 347 HA3 GLY 515 2HA GLY 515 -3.035 11.823 2.558 348 H ARG 516 H ARG 516 -1.599 9.046 2.655 349 HA ARG 516 HA ARG 516 1.061 10.202 2.545 350 HB2 ARG 516 1HB ARG 516 0.122 7.473 3.450 351 HB3 ARG 516 2HB ARG 516 1.767 8.077 3.596 352 HG2 ARG 516 1HG ARG 516 1.057 8.590 5.674 353 HG3 ARG 516 2HG ARG 516 0.487 10.048 4.859 354 HD2 ARG 516 1HD ARG 516 -1.705 9.408 4.952 355 HD3 ARG 516 2HD ARG 516 -1.317 7.689 4.920 356 HE ARG 516 HE ARG 516 -1.338 7.705 7.197 357 HH11 ARG 516 1HH1 ARG 516 -0.920 11.659 7.657 358 HH12 ARG 516 2HH1 ARG 516 -0.847 10.962 6.073 359 HH21 ARG 516 1HH2 ARG 516 -1.254 10.320 9.485 360 HH22 ARG 516 2HH2 ARG 516 -1.437 8.610 9.288 361 H THR 517 H THR 517 2.730 9.518 1.242 362 HA THR 517 HA THR 517 1.951 7.792 -1.016 363 HB THR 517 HB THR 517 4.068 9.953 -0.995 364 HG1 THR 517 1HG THR 517 2.516 11.267 -1.573 365 HG21 THR 517 1HG2 THR 517 3.070 8.044 -3.084 366 HG22 THR 517 2HG2 THR 517 4.731 8.429 -2.632 367 HG23 THR 517 3HG2 THR 517 3.769 9.598 -3.537 368 H GLY 518 H GLY 518 3.355 6.197 -1.725 369 HA2 GLY 518 1HA GLY 518 5.932 5.668 -1.320 370 HA3 GLY 518 2HA GLY 518 5.279 5.305 0.272 371 H TRP 519 H TRP 519 6.306 3.180 -0.427 372 HA TRP 519 HA TRP 519 4.627 1.621 -2.232 373 HB2 TRP 519 1HB TRP 519 7.142 0.815 -0.756 374 HB3 TRP 519 2HB TRP 519 6.330 -0.116 -2.011 375 HD1 TRP 519 HD TRP 519 8.112 3.310 -1.640 376 HE1 TRP 519 1HE TRP 519 9.258 3.851 -3.880 377 HE3 TRP 519 3HE TRP 519 6.496 -0.700 -4.368 378 HZ2 TRP 519 2HZ TRP 519 9.452 2.727 -6.462 379 HZ3 TRP 519 3HZ TRP 519 7.207 -0.892 -6.716 380 HH2 TRP 519 HH TRP 519 8.654 0.787 -7.739 381 H PHE 520 H PHE 520 3.696 -0.395 -1.602 382 HA PHE 520 HA PHE 520 3.484 -0.965 1.240 383 HB2 PHE 520 1HB PHE 520 0.968 -1.042 1.081 384 HB3 PHE 520 2HB PHE 520 1.667 0.572 1.026 385 HD1 PHE 520 1HD PHE 520 1.496 1.934 -0.927 386 HD2 PHE 520 2HD PHE 520 0.033 -2.063 -0.939 387 HE1 PHE 520 1HE PHE 520 0.308 2.380 -3.035 388 HE2 PHE 520 2HE PHE 520 -1.158 -1.624 -3.047 389 HZ PHE 520 HZ PHE 520 -1.020 0.598 -4.099 390 HA PRO 521 HA PRO 521 3.289 -5.136 -0.107 391 HB2 PRO 521 1HB PRO 521 1.756 -6.266 1.827 392 HB3 PRO 521 2HB PRO 521 3.420 -5.740 2.106 393 HG2 PRO 521 1HG PRO 521 0.856 -4.347 2.774 394 HG3 PRO 521 2HG PRO 521 2.327 -4.514 3.752 395 HD2 PRO 521 1HD PRO 521 1.744 -2.259 2.370 396 HD3 PRO 521 2HD PRO 521 3.410 -2.810 2.640 397 H ALA 522 H ALA 522 2.193 -5.575 -1.927 398 HA ALA 522 HA ALA 522 -0.442 -4.903 -2.508 399 HB1 ALA 522 1HB ALA 522 1.403 -5.656 -4.098 400 HB2 ALA 522 2HB ALA 522 0.924 -7.303 -3.688 401 HB3 ALA 522 3HB ALA 522 -0.235 -6.210 -4.444 402 H ASP 523 H ASP 523 0.828 -7.531 -0.658 403 HA ASP 523 HA ASP 523 -1.391 -9.288 -0.862 404 HB2 ASP 523 1HB ASP 523 0.958 -9.851 -0.046 405 HB3 ASP 523 2HB ASP 523 0.495 -9.115 1.486 406 H CYS 524 H CYS 524 -1.093 -6.285 0.568 407 HA CYS 524 HA CYS 524 -3.251 -6.856 2.489 408 HB2 CYS 524 1HB CYS 524 -1.302 -4.541 2.486 409 HB3 CYS 524 2HB CYS 524 -2.542 -4.847 3.697 410 HG CYS 524 HG CYS 524 -1.089 -7.563 3.910 411 H VAL 525 H VAL 525 -2.910 -5.845 -0.535 412 HA VAL 525 HA VAL 525 -5.130 -3.921 -0.315 413 HB VAL 525 HB VAL 525 -4.268 -2.560 -2.048 414 HG11 VAL 525 1HG1 VAL 525 -3.097 -2.646 0.331 415 HG12 VAL 525 2HG1 VAL 525 -1.698 -3.074 -0.655 416 HG13 VAL 525 3HG1 VAL 525 -2.549 -1.556 -0.942 417 HG21 VAL 525 1HG2 VAL 525 -3.253 -3.606 -3.740 418 HG22 VAL 525 2HG2 VAL 525 -1.775 -3.475 -2.786 419 HG23 VAL 525 3HG2 VAL 525 -2.743 -4.948 -2.714 420 H GLU 526 H GLU 526 -6.474 -3.782 -2.261 421 HA GLU 526 HA GLU 526 -6.293 -5.980 -4.147 422 HB2 GLU 526 1HB GLU 526 -8.255 -5.879 -1.940 423 HB3 GLU 526 2HB GLU 526 -8.917 -6.255 -3.526 424 HG2 GLU 526 1HG GLU 526 -7.365 -8.119 -3.745 425 HG3 GLU 526 2HG GLU 526 -6.674 -7.736 -2.169 426 H GLU 527 H GLU 527 -6.978 -5.370 -6.105 427 HA GLU 527 HA GLU 527 -7.617 -2.755 -6.734 428 HB2 GLU 527 1HB GLU 527 -6.928 -4.803 -8.233 429 HB3 GLU 527 2HB GLU 527 -8.665 -4.978 -8.441 430 HG2 GLU 527 1HG GLU 527 -8.715 -2.579 -9.178 431 HG3 GLU 527 2HG GLU 527 -6.953 -2.624 -9.188 432 H VAL 528 H VAL 528 -9.603 -1.846 -7.616 433 HA VAL 528 HA VAL 528 -11.732 -1.848 -5.909 434 HB VAL 528 HB VAL 528 -13.114 -1.109 -7.962 435 HG11 VAL 528 1HG1 VAL 528 -10.909 0.757 -7.927 436 HG12 VAL 528 2HG1 VAL 528 -12.547 0.938 -7.300 437 HG13 VAL 528 3HG1 VAL 528 -11.299 0.190 -6.304 438 HG21 VAL 528 1HG2 VAL 528 -11.375 -2.306 -9.479 439 HG22 VAL 528 2HG2 VAL 528 -12.063 -0.766 -9.995 440 HG23 VAL 528 3HG2 VAL 528 -10.449 -0.817 -9.286 441 H GLN 529 H GLN 529 -12.733 -3.642 -5.212 442 HA GLN 529 HA GLN 529 -13.743 -5.531 -7.233 443 HB2 GLN 529 1HB GLN 529 -12.745 -5.904 -4.441 444 HB3 GLN 529 2HB GLN 529 -13.958 -7.015 -5.065 445 HG2 GLN 529 1HG GLN 529 -11.370 -6.449 -6.483 446 HG3 GLN 529 2HG GLN 529 -11.563 -7.741 -5.298 447 HE21 GLN 529 1HE2 GLN 529 -13.121 -8.073 -9.040 448 HE22 GLN 529 2HE2 GLN 529 -12.526 -6.565 -8.440 449 H MET 530 H MET 530 -14.633 -3.166 -5.004 450 HA MET 530 HA MET 530 -17.336 -4.258 -4.681 451 HB2 MET 530 1HB MET 530 -16.043 -1.885 -3.326 452 HB3 MET 530 2HB MET 530 -17.641 -2.528 -2.971 453 HG2 MET 530 1HG MET 530 -16.537 -4.681 -2.339 454 HG3 MET 530 2HG MET 530 -14.988 -3.856 -2.498 455 HE1 MET 530 1HE MET 530 -14.199 -1.958 0.011 456 HE2 MET 530 2HE MET 530 -14.716 -1.569 -1.629 457 HE3 MET 530 3HE MET 530 -15.545 -0.848 -0.250 Start of MODEL 24 1 H1 MET 470 H MET 470 -9.933 5.318 -22.330 2 HA MET 470 HA MET 470 -12.077 6.055 -21.101 3 HB2 MET 470 1HB MET 470 -12.022 3.382 -22.515 4 HB3 MET 470 2HB MET 470 -13.461 4.347 -22.214 5 HG2 MET 470 1HG MET 470 -12.122 6.185 -23.511 6 HG3 MET 470 2HG MET 470 -11.247 4.794 -24.147 7 HE1 MET 470 1HE MET 470 -12.134 2.997 -25.530 8 HE2 MET 470 2HE MET 470 -13.510 2.487 -24.552 9 HE3 MET 470 3HE MET 470 -13.740 2.893 -26.253 10 H VAL 471 H VAL 471 -10.783 5.431 -18.881 11 HA VAL 471 HA VAL 471 -12.353 3.237 -17.690 12 HB VAL 471 HB VAL 471 -10.428 3.199 -15.963 13 HG11 VAL 471 1HG1 VAL 471 -11.011 1.452 -17.689 14 HG12 VAL 471 2HG1 VAL 471 -9.771 2.175 -18.716 15 HG13 VAL 471 3HG1 VAL 471 -9.329 1.474 -17.158 16 HG21 VAL 471 1HG2 VAL 471 -9.444 5.314 -17.096 17 HG22 VAL 471 2HG2 VAL 471 -8.349 4.044 -16.548 18 HG23 VAL 471 3HG2 VAL 471 -8.768 4.171 -18.256 19 HA PRO 472 HA PRO 472 -13.996 6.073 -14.772 20 HB2 PRO 472 1HB PRO 472 -14.170 4.531 -12.545 21 HB3 PRO 472 2HB PRO 472 -15.236 4.327 -13.939 22 HG2 PRO 472 1HG PRO 472 -12.789 2.777 -13.184 23 HG3 PRO 472 2HG PRO 472 -14.344 2.185 -13.795 24 HD2 PRO 472 1HD PRO 472 -12.166 2.457 -15.379 25 HD3 PRO 472 2HD PRO 472 -13.820 2.686 -15.982 26 H GLY 473 H GLY 473 -11.336 4.127 -13.401 27 HA2 GLY 473 1HA GLY 473 -9.468 5.969 -12.887 28 HA3 GLY 473 2HA GLY 473 -10.620 6.295 -11.600 29 H ARG 474 H ARG 474 -7.920 4.534 -12.473 30 HA ARG 474 HA ARG 474 -8.181 2.083 -11.232 31 HB2 ARG 474 1HB ARG 474 -6.142 3.398 -12.451 32 HB3 ARG 474 2HB ARG 474 -5.603 3.447 -10.777 33 HG2 ARG 474 1HG ARG 474 -4.647 1.495 -11.477 34 HG3 ARG 474 2HG ARG 474 -6.178 0.893 -10.840 35 HD2 ARG 474 1HD ARG 474 -5.794 1.623 -13.732 36 HD3 ARG 474 2HD ARG 474 -5.461 0.008 -13.107 37 HE ARG 474 HE ARG 474 -7.975 0.444 -12.262 38 HH11 ARG 474 1HH1 ARG 474 -7.895 0.463 -16.265 39 HH12 ARG 474 2HH1 ARG 474 -6.450 0.807 -15.371 40 HH21 ARG 474 1HH2 ARG 474 -9.846 -0.003 -15.158 41 HH22 ARG 474 2HH2 ARG 474 -9.882 -0.011 -13.427 42 H LYS 475 H LYS 475 -9.030 1.765 -9.277 43 HA LYS 475 HA LYS 475 -7.958 3.346 -7.033 44 HB2 LYS 475 1HB LYS 475 -10.218 4.058 -7.341 45 HB3 LYS 475 2HB LYS 475 -10.784 2.403 -7.511 46 HG2 LYS 475 1HG LYS 475 -11.411 3.227 -5.352 47 HG3 LYS 475 2HG LYS 475 -10.167 1.992 -5.152 48 HD2 LYS 475 1HD LYS 475 -9.430 3.647 -3.717 49 HD3 LYS 475 2HD LYS 475 -8.533 4.021 -5.191 50 HE2 LYS 475 1HE LYS 475 -9.408 6.069 -4.347 51 HE3 LYS 475 2HE LYS 475 -10.346 5.644 -5.778 52 HZ1 LYS 475 1HZ LYS 475 -11.341 6.250 -3.302 53 HZ2 LYS 475 2HZ LYS 475 -11.491 4.567 -3.397 54 HZ3 LYS 475 3HZ LYS 475 -12.198 5.547 -4.581 55 H PHE 476 H PHE 476 -7.673 2.259 -5.056 56 HA PHE 476 HA PHE 476 -7.969 -0.659 -5.116 57 HB2 PHE 476 1HB PHE 476 -5.459 0.900 -4.856 58 HB3 PHE 476 2HB PHE 476 -5.641 -0.478 -3.775 59 HD1 PHE 476 1HD PHE 476 -5.402 -2.687 -4.560 60 HD2 PHE 476 2HD PHE 476 -5.550 0.550 -7.319 61 HE1 PHE 476 1HE PHE 476 -4.691 -4.199 -6.366 62 HE2 PHE 476 2HE PHE 476 -4.840 -0.956 -9.129 63 HZ PHE 476 HZ PHE 476 -4.410 -3.334 -8.655 64 H ILE 477 H ILE 477 -7.913 -1.660 -2.996 65 HA ILE 477 HA ILE 477 -8.412 0.188 -0.768 66 HB ILE 477 HB ILE 477 -10.583 -0.601 -1.733 67 HG12 ILE 477 1HG1 ILE 477 -11.261 -1.682 0.638 68 HG13 ILE 477 2HG1 ILE 477 -9.694 -1.006 1.070 69 HG21 ILE 477 1HG2 ILE 477 -11.101 -2.766 -2.019 70 HG22 ILE 477 2HG2 ILE 477 -9.355 -3.011 -1.970 71 HG23 ILE 477 3HG2 ILE 477 -10.320 -3.254 -0.514 72 HD11 ILE 477 1HD1 ILE 477 -10.905 0.822 1.521 73 HD12 ILE 477 2HD1 ILE 477 -10.799 1.090 -0.219 74 HD13 ILE 477 3HD1 ILE 477 -12.233 0.332 0.471 75 H ALA 478 H ALA 478 -7.531 -0.412 1.133 76 HA ALA 478 HA ALA 478 -5.756 -2.675 1.159 77 HB1 ALA 478 1HB ALA 478 -6.090 -0.247 2.667 78 HB2 ALA 478 2HB ALA 478 -5.895 -1.628 3.747 79 HB3 ALA 478 3HB ALA 478 -4.676 -1.290 2.519 80 H VAL 479 H VAL 479 -6.027 -4.605 2.129 81 HA VAL 479 HA VAL 479 -8.618 -5.100 3.429 82 HB VAL 479 HB VAL 479 -8.082 -7.532 2.972 83 HG11 VAL 479 1HG1 VAL 479 -9.341 -5.664 1.452 84 HG12 VAL 479 2HG1 VAL 479 -8.164 -6.309 0.307 85 HG13 VAL 479 3HG1 VAL 479 -9.311 -7.390 1.098 86 HG21 VAL 479 1HG2 VAL 479 -6.323 -6.947 0.753 87 HG22 VAL 479 2HG2 VAL 479 -5.591 -6.497 2.293 88 HG23 VAL 479 3HG2 VAL 479 -6.158 -8.147 2.036 89 H LYS 480 H LYS 480 -5.247 -4.966 3.971 90 HA LYS 480 HA LYS 480 -5.643 -6.064 6.671 91 HB2 LYS 480 1HB LYS 480 -3.029 -6.408 5.237 92 HB3 LYS 480 2HB LYS 480 -3.663 -7.302 6.612 93 HG2 LYS 480 1HG LYS 480 -4.679 -7.482 3.783 94 HG3 LYS 480 2HG LYS 480 -3.634 -8.656 4.586 95 HD2 LYS 480 1HD LYS 480 -6.033 -8.052 6.120 96 HD3 LYS 480 2HD LYS 480 -6.394 -8.704 4.520 97 HE2 LYS 480 1HE LYS 480 -5.513 -10.735 5.002 98 HE3 LYS 480 2HE LYS 480 -4.257 -10.064 6.040 99 HZ1 LYS 480 1HZ LYS 480 -6.993 -9.858 7.012 100 HZ2 LYS 480 2HZ LYS 480 -5.565 -10.186 7.858 101 HZ3 LYS 480 3HZ LYS 480 -6.327 -11.412 6.976 102 H ALA 481 H ALA 481 -3.348 -5.533 7.882 103 HA ALA 481 HA ALA 481 -3.063 -2.615 7.607 104 HB1 ALA 481 1HB ALA 481 -4.023 -3.555 9.746 105 HB2 ALA 481 2HB ALA 481 -2.424 -4.226 10.066 106 HB3 ALA 481 3HB ALA 481 -2.637 -2.480 9.929 107 H HIS 482 H HIS 482 -0.998 -1.669 7.822 108 HA HIS 482 HA HIS 482 1.376 -3.197 8.142 109 HB2 HIS 482 1HB HIS 482 0.963 -4.008 5.930 110 HB3 HIS 482 2HB HIS 482 0.582 -2.392 5.342 111 HD1 HIS 482 1HD HIS 482 3.387 -4.713 5.914 112 HD2 HIS 482 2HD HIS 482 2.865 -0.689 5.023 113 HE1 HIS 482 1HE HIS 482 5.636 -3.900 5.136 114 H SER 483 H SER 483 2.565 -1.791 9.236 115 HA SER 483 HA SER 483 2.262 1.059 8.807 116 HB2 SER 483 1HB SER 483 4.387 0.375 10.638 117 HB3 SER 483 2HB SER 483 2.866 1.207 10.961 118 HG SER 483 HG SER 483 2.769 -0.636 12.137 119 HA PRO 484 HA PRO 484 5.814 1.792 6.341 120 HB2 PRO 484 1HB PRO 484 6.841 4.056 7.430 121 HB3 PRO 484 2HB PRO 484 5.344 4.036 6.489 122 HG2 PRO 484 1HG PRO 484 5.714 4.050 9.459 123 HG3 PRO 484 2HG PRO 484 4.564 4.970 8.471 124 HD2 PRO 484 1HD PRO 484 3.860 2.730 9.820 125 HD3 PRO 484 2HD PRO 484 3.115 3.188 8.275 126 H GLN 485 H GLN 485 7.262 0.141 6.678 127 HA GLN 485 HA GLN 485 8.673 -0.573 8.882 128 HB2 GLN 485 1HB GLN 485 9.733 -0.486 6.052 129 HB3 GLN 485 2HB GLN 485 10.433 -1.420 7.367 130 HG2 GLN 485 1HG GLN 485 7.777 -1.814 6.027 131 HG3 GLN 485 2HG GLN 485 9.151 -2.917 6.074 132 HE21 GLN 485 1HE2 GLN 485 6.433 -2.821 9.070 133 HE22 GLN 485 2HE2 GLN 485 6.394 -1.699 7.756 134 H GLY 486 H GLY 486 9.392 2.110 6.712 135 HA2 GLY 486 1HA GLY 486 10.681 3.656 8.640 136 HA3 GLY 486 2HA GLY 486 11.928 2.758 7.788 137 H GLU 487 H GLU 487 11.872 2.935 5.371 138 HA GLU 487 HA GLU 487 10.870 5.562 4.506 139 HB2 GLU 487 1HB GLU 487 13.016 5.679 3.102 140 HB3 GLU 487 2HB GLU 487 13.145 6.018 4.821 141 HG2 GLU 487 1HG GLU 487 14.385 4.179 5.236 142 HG3 GLU 487 2HG GLU 487 13.569 3.215 4.007 143 H GLY 488 H GLY 488 9.888 5.594 2.566 144 HA2 GLY 488 1HA GLY 488 9.347 4.920 0.399 145 HA3 GLY 488 2HA GLY 488 10.418 3.539 0.589 146 H GLU 489 H GLU 489 8.027 4.198 3.012 147 HA GLU 489 HA GLU 489 6.171 2.258 1.865 148 HB2 GLU 489 1HB GLU 489 7.325 1.952 4.642 149 HB3 GLU 489 2HB GLU 489 6.098 0.927 3.910 150 HG2 GLU 489 1HG GLU 489 7.896 -0.374 3.510 151 HG3 GLU 489 2HG GLU 489 7.993 0.641 2.072 152 H ILE 490 H ILE 490 4.065 2.358 2.725 153 HA ILE 490 HA ILE 490 3.547 4.691 4.451 154 HB ILE 490 HB ILE 490 1.317 4.823 3.187 155 HG12 ILE 490 1HG1 ILE 490 2.933 3.362 1.090 156 HG13 ILE 490 2HG1 ILE 490 1.641 2.624 2.030 157 HG21 ILE 490 1HG2 ILE 490 2.304 6.238 1.434 158 HG22 ILE 490 2HG2 ILE 490 3.039 6.520 3.011 159 HG23 ILE 490 3HG2 ILE 490 3.891 5.561 1.801 160 HD11 ILE 490 1HD1 ILE 490 0.568 4.967 0.930 161 HD12 ILE 490 2HD1 ILE 490 1.481 4.179 -0.357 162 HD13 ILE 490 3HD1 ILE 490 0.211 3.296 0.491 163 HA PRO 491 HA PRO 491 1.178 2.084 7.071 164 HB2 PRO 491 1HB PRO 491 -0.776 3.778 7.897 165 HB3 PRO 491 2HB PRO 491 0.900 3.907 8.443 166 HG2 PRO 491 1HG PRO 491 -0.522 5.457 6.312 167 HG3 PRO 491 2HG PRO 491 0.597 6.037 7.560 168 HD2 PRO 491 1HD PRO 491 1.363 5.615 4.998 169 HD3 PRO 491 2HD PRO 491 2.460 5.377 6.373 170 H LEU 492 H LEU 492 -0.618 0.764 7.107 171 HA LEU 492 HA LEU 492 -2.715 1.265 5.114 172 HB2 LEU 492 1HB LEU 492 -1.025 -1.182 5.442 173 HB3 LEU 492 2HB LEU 492 -2.662 -1.309 4.803 174 HG LEU 492 HG LEU 492 -0.343 0.186 3.589 175 HD11 LEU 492 1HD1 LEU 492 -0.105 -2.082 3.079 176 HD12 LEU 492 2HD1 LEU 492 -0.936 -1.405 1.679 177 HD13 LEU 492 3HD1 LEU 492 -1.842 -2.316 2.886 178 HD21 LEU 492 1HD2 LEU 492 -1.851 1.536 2.666 179 HD22 LEU 492 2HD2 LEU 492 -3.195 0.585 3.298 180 HD23 LEU 492 3HD2 LEU 492 -2.436 0.134 1.770 181 H HIS 493 H HIS 493 -4.758 0.539 5.650 182 HA HIS 493 HA HIS 493 -5.128 -0.967 8.114 183 HB2 HIS 493 1HB HIS 493 -5.544 1.900 7.908 184 HB3 HIS 493 2HB HIS 493 -7.025 1.063 8.360 185 HD1 HIS 493 1HD HIS 493 -7.230 0.321 10.742 186 HD2 HIS 493 2HD HIS 493 -3.352 1.433 9.751 187 HE1 HIS 493 1HE HIS 493 -5.956 0.317 12.910 188 H ARG 494 H ARG 494 -6.914 -2.234 8.084 189 HA ARG 494 HA ARG 494 -8.158 -2.928 5.736 190 HB2 ARG 494 1HB ARG 494 -9.953 -3.930 7.189 191 HB3 ARG 494 2HB ARG 494 -8.310 -4.390 7.614 192 HG2 ARG 494 1HG ARG 494 -8.386 -2.560 9.356 193 HG3 ARG 494 2HG ARG 494 -10.117 -2.459 9.032 194 HD2 ARG 494 1HD ARG 494 -8.685 -4.984 9.840 195 HD3 ARG 494 2HD ARG 494 -9.513 -3.912 10.968 196 HE ARG 494 HE ARG 494 -10.714 -5.826 9.223 197 HH11 ARG 494 1HH1 ARG 494 -12.932 -2.901 10.819 198 HH12 ARG 494 2HH1 ARG 494 -11.205 -2.765 10.805 199 HH21 ARG 494 1HH2 ARG 494 -13.944 -4.753 9.927 200 HH22 ARG 494 2HH2 ARG 494 -12.987 -6.018 9.236 201 H GLY 495 H GLY 495 -9.466 -1.851 4.422 202 HA2 GLY 495 1HA GLY 495 -11.557 -0.803 3.962 203 HA3 GLY 495 2HA GLY 495 -11.542 -0.130 5.584 204 H GLU 496 H GLU 496 -8.493 0.235 4.401 205 HA GLU 496 HA GLU 496 -8.852 3.058 4.019 206 HB2 GLU 496 1HB GLU 496 -6.516 1.192 4.070 207 HB3 GLU 496 2HB GLU 496 -6.310 2.793 3.372 208 HG2 GLU 496 1HG GLU 496 -7.362 3.626 5.583 209 HG3 GLU 496 2HG GLU 496 -6.929 2.029 6.191 210 H ALA 497 H ALA 497 -8.281 4.254 2.140 211 HA ALA 497 HA ALA 497 -8.856 2.795 -0.335 212 HB1 ALA 497 1HB ALA 497 -9.482 5.441 0.671 213 HB2 ALA 497 2HB ALA 497 -8.801 5.489 -0.956 214 HB3 ALA 497 3HB ALA 497 -10.236 4.518 -0.629 215 H VAL 498 H VAL 498 -6.977 1.972 -1.097 216 HA VAL 498 HA VAL 498 -4.599 3.674 -1.183 217 HB VAL 498 HB VAL 498 -4.654 0.846 -2.169 218 HG11 VAL 498 1HG1 VAL 498 -2.344 0.854 -1.453 219 HG12 VAL 498 2HG1 VAL 498 -2.649 2.252 -2.486 220 HG13 VAL 498 3HG1 VAL 498 -2.542 2.454 -0.737 221 HG21 VAL 498 1HG2 VAL 498 -5.759 0.714 -0.029 222 HG22 VAL 498 2HG2 VAL 498 -4.116 0.092 0.128 223 HG23 VAL 498 3HG2 VAL 498 -4.507 1.708 0.718 224 H LYS 499 H LYS 499 -3.414 3.990 -3.124 225 HA LYS 499 HA LYS 499 -4.927 3.523 -5.604 226 HB2 LYS 499 1HB LYS 499 -4.829 5.969 -4.503 227 HB3 LYS 499 2HB LYS 499 -3.319 6.012 -5.403 228 HG2 LYS 499 1HG LYS 499 -4.761 6.872 -6.950 229 HG3 LYS 499 2HG LYS 499 -4.826 5.159 -7.370 230 HD2 LYS 499 1HD LYS 499 -7.067 5.775 -7.319 231 HD3 LYS 499 2HD LYS 499 -6.813 5.066 -5.722 232 HE2 LYS 499 1HE LYS 499 -8.082 7.122 -5.530 233 HE3 LYS 499 2HE LYS 499 -6.492 7.321 -4.795 234 HZ1 LYS 499 1HZ LYS 499 -6.070 8.997 -6.156 235 HZ2 LYS 499 2HZ LYS 499 -7.648 8.896 -6.754 236 HZ3 LYS 499 3HZ LYS 499 -6.398 8.055 -7.522 237 H VAL 500 H VAL 500 -3.660 1.913 -6.404 238 HA VAL 500 HA VAL 500 -0.841 1.835 -6.242 239 HB VAL 500 HB VAL 500 -2.681 0.445 -8.193 240 HG11 VAL 500 1HG1 VAL 500 -0.744 -1.172 -8.356 241 HG12 VAL 500 2HG1 VAL 500 -0.515 0.392 -9.140 242 HG13 VAL 500 3HG1 VAL 500 0.239 0.069 -7.578 243 HG21 VAL 500 1HG2 VAL 500 -2.654 -1.409 -6.716 244 HG22 VAL 500 2HG2 VAL 500 -1.397 -0.683 -5.714 245 HG23 VAL 500 3HG2 VAL 500 -3.020 0.007 -5.730 246 H LEU 501 H LEU 501 0.720 2.664 -7.503 247 HA LEU 501 HA LEU 501 -0.071 3.966 -10.021 248 HB2 LEU 501 1HB LEU 501 1.250 5.096 -7.662 249 HB3 LEU 501 2HB LEU 501 2.061 5.451 -9.186 250 HG LEU 501 HG LEU 501 -0.251 6.264 -9.981 251 HD11 LEU 501 1HD1 LEU 501 -1.729 5.523 -8.345 252 HD12 LEU 501 2HD1 LEU 501 -1.519 7.233 -7.964 253 HD13 LEU 501 3HD1 LEU 501 -0.666 6.009 -7.025 254 HD21 LEU 501 1HD2 LEU 501 1.321 7.929 -9.797 255 HD22 LEU 501 2HD2 LEU 501 1.613 7.617 -8.086 256 HD23 LEU 501 3HD2 LEU 501 0.142 8.448 -8.594 257 H SER 502 H SER 502 2.497 2.463 -8.130 258 HA SER 502 HA SER 502 3.814 1.719 -10.654 259 HB2 SER 502 1HB SER 502 4.966 3.078 -8.278 260 HB3 SER 502 2HB SER 502 5.945 1.809 -9.014 261 HG SER 502 HG SER 502 6.358 3.105 -10.608 262 H ILE 503 H ILE 503 5.212 -0.199 -10.456 263 HA ILE 503 HA ILE 503 4.294 -2.020 -8.328 264 HB ILE 503 HB ILE 503 4.808 -2.742 -11.216 265 HG12 ILE 503 1HG1 ILE 503 2.699 -1.541 -10.926 266 HG13 ILE 503 2HG1 ILE 503 2.394 -3.239 -11.280 267 HG21 ILE 503 1HG2 ILE 503 4.796 -4.319 -8.820 268 HG22 ILE 503 2HG2 ILE 503 3.469 -4.808 -9.874 269 HG23 ILE 503 3HG2 ILE 503 5.125 -4.813 -10.481 270 HD11 ILE 503 1HD1 ILE 503 1.921 -3.671 -8.953 271 HD12 ILE 503 2HD1 ILE 503 2.318 -2.003 -8.539 272 HD13 ILE 503 3HD1 ILE 503 0.912 -2.351 -9.545 273 H GLY 504 H GLY 504 5.831 -3.127 -7.263 274 HA2 GLY 504 1HA GLY 504 8.606 -2.561 -7.926 275 HA3 GLY 504 2HA GLY 504 8.020 -3.343 -6.465 276 H GLU 505 H GLU 505 8.275 -5.476 -6.290 277 HA GLU 505 HA GLU 505 8.780 -7.016 -8.750 278 HB2 GLU 505 1HB GLU 505 10.319 -6.920 -6.193 279 HB3 GLU 505 2HB GLU 505 10.234 -8.443 -7.066 280 HG2 GLU 505 1HG GLU 505 10.954 -6.971 -9.103 281 HG3 GLU 505 2HG GLU 505 11.535 -5.882 -7.843 282 H GLY 506 H GLY 506 6.307 -7.136 -8.233 283 HA2 GLY 506 1HA GLY 506 4.514 -8.408 -7.560 284 HA3 GLY 506 2HA GLY 506 5.645 -9.749 -7.643 285 H GLY 507 H GLY 507 4.679 -7.075 -5.498 286 HA2 GLY 507 1HA GLY 507 3.921 -8.441 -3.300 287 HA3 GLY 507 2HA GLY 507 5.673 -8.484 -3.174 288 H PHE 508 H PHE 508 5.794 -5.792 -4.521 289 HA PHE 508 HA PHE 508 4.706 -4.099 -2.391 290 HB2 PHE 508 1HB PHE 508 7.381 -4.844 -2.465 291 HB3 PHE 508 2HB PHE 508 7.370 -3.246 -3.203 292 HD1 PHE 508 1HD PHE 508 5.451 -4.769 -0.390 293 HD2 PHE 508 2HD PHE 508 8.069 -1.675 -1.687 294 HE1 PHE 508 1HE PHE 508 5.341 -3.745 1.845 295 HE2 PHE 508 2HE PHE 508 7.964 -0.645 0.545 296 HZ PHE 508 HZ PHE 508 6.600 -1.681 2.314 297 H TRP 509 H TRP 509 3.464 -2.662 -3.382 298 HA TRP 509 HA TRP 509 4.362 -1.575 -5.969 299 HB2 TRP 509 1HB TRP 509 1.520 -1.718 -4.947 300 HB3 TRP 509 2HB TRP 509 2.044 -1.223 -6.555 301 HD1 TRP 509 HD TRP 509 4.205 -3.853 -6.522 302 HE1 TRP 509 1HE TRP 509 3.195 -6.113 -7.225 303 HE3 TRP 509 3HE TRP 509 -0.745 -2.779 -5.831 304 HZ2 TRP 509 2HZ TRP 509 0.637 -7.285 -7.457 305 HZ3 TRP 509 3HZ TRP 509 -2.409 -4.524 -6.316 306 HH2 TRP 509 HH TRP 509 -1.730 -6.730 -7.113 307 H GLU 510 H GLU 510 4.188 0.643 -6.339 308 HA GLU 510 HA GLU 510 4.132 2.253 -3.899 309 HB2 GLU 510 1HB GLU 510 5.984 3.038 -4.913 310 HB3 GLU 510 2HB GLU 510 5.496 2.422 -6.485 311 HG2 GLU 510 1HG GLU 510 5.694 4.820 -6.560 312 HG3 GLU 510 2HG GLU 510 4.009 4.347 -6.770 313 H GLY 511 H GLY 511 2.517 3.602 -3.421 314 HA2 GLY 511 1HA GLY 511 0.882 4.799 -5.480 315 HA3 GLY 511 2HA GLY 511 0.041 3.598 -4.513 316 H THR 512 H THR 512 -1.348 5.423 -3.940 317 HA THR 512 HA THR 512 -0.195 6.960 -1.706 318 HB THR 512 HB THR 512 -2.094 7.926 -3.841 319 HG1 THR 512 1HG THR 512 -0.048 8.415 -4.417 320 HG21 THR 512 1HG2 THR 512 -1.792 10.074 -2.223 321 HG22 THR 512 2HG2 THR 512 -1.831 8.775 -1.029 322 HG23 THR 512 3HG2 THR 512 -3.172 8.979 -2.156 323 H VAL 513 H VAL 513 -1.335 6.974 0.156 324 HA VAL 513 HA VAL 513 -4.130 6.171 0.181 325 HB VAL 513 HB VAL 513 -2.644 4.083 0.374 326 HG11 VAL 513 1HG1 VAL 513 -2.389 4.761 3.259 327 HG12 VAL 513 2HG1 VAL 513 -1.413 3.681 2.260 328 HG13 VAL 513 3HG1 VAL 513 -1.208 5.430 2.133 329 HG21 VAL 513 1HG2 VAL 513 -4.093 3.333 2.443 330 HG22 VAL 513 2HG2 VAL 513 -4.891 4.879 2.158 331 HG23 VAL 513 3HG2 VAL 513 -4.839 3.665 0.880 332 H LYS 514 H LYS 514 -5.260 7.058 1.835 333 HA LYS 514 HA LYS 514 -5.745 8.497 3.531 334 HB2 LYS 514 1HB LYS 514 -3.153 7.490 4.717 335 HB3 LYS 514 2HB LYS 514 -4.485 8.238 5.589 336 HG2 LYS 514 1HG LYS 514 -4.854 5.700 4.038 337 HG3 LYS 514 2HG LYS 514 -4.261 5.702 5.701 338 HD2 LYS 514 1HD LYS 514 -6.490 5.516 6.125 339 HD3 LYS 514 2HD LYS 514 -6.381 7.276 6.036 340 HE2 LYS 514 1HE LYS 514 -7.366 7.362 3.951 341 HE3 LYS 514 2HE LYS 514 -6.911 5.706 3.552 342 HZ1 LYS 514 1HZ LYS 514 -9.340 6.604 4.554 343 HZ2 LYS 514 2HZ LYS 514 -8.621 5.700 5.791 344 HZ3 LYS 514 3HZ LYS 514 -8.869 5.005 4.269 345 H GLY 515 H GLY 515 -3.929 9.355 1.285 346 HA2 GLY 515 1HA GLY 515 -3.291 11.562 0.778 347 HA3 GLY 515 2HA GLY 515 -3.171 11.900 2.498 348 H ARG 516 H ARG 516 -1.591 9.257 2.661 349 HA ARG 516 HA ARG 516 0.993 10.511 2.359 350 HB2 ARG 516 1HB ARG 516 0.154 7.792 3.372 351 HB3 ARG 516 2HB ARG 516 1.826 8.334 3.310 352 HG2 ARG 516 1HG ARG 516 1.364 8.891 5.453 353 HG3 ARG 516 2HG ARG 516 0.809 10.374 4.672 354 HD2 ARG 516 1HD ARG 516 -1.482 9.394 4.600 355 HD3 ARG 516 2HD ARG 516 -0.877 8.033 5.544 356 HE ARG 516 HE ARG 516 -1.588 10.605 6.525 357 HH11 ARG 516 1HH1 ARG 516 0.873 8.300 8.683 358 HH12 ARG 516 2HH1 ARG 516 0.629 7.963 7.001 359 HH21 ARG 516 1HH2 ARG 516 -0.211 10.060 9.671 360 HH22 ARG 516 2HH2 ARG 516 -1.274 11.059 8.739 361 H THR 517 H THR 517 2.802 9.342 1.312 362 HA THR 517 HA THR 517 1.930 7.799 -1.040 363 HB THR 517 HB THR 517 2.372 9.803 -2.098 364 HG1 THR 517 1HG THR 517 4.114 9.329 -3.283 365 HG21 THR 517 1HG2 THR 517 4.447 11.188 -1.444 366 HG22 THR 517 2HG2 THR 517 4.441 10.228 0.036 367 HG23 THR 517 3HG2 THR 517 3.048 11.229 -0.373 368 H GLY 518 H GLY 518 3.306 6.183 -1.737 369 HA2 GLY 518 1HA GLY 518 5.910 5.685 -1.337 370 HA3 GLY 518 2HA GLY 518 5.238 5.284 0.237 371 H TRP 519 H TRP 519 6.133 3.141 -0.275 372 HA TRP 519 HA TRP 519 4.538 1.620 -2.209 373 HB2 TRP 519 1HB TRP 519 7.036 0.794 -0.713 374 HB3 TRP 519 2HB TRP 519 6.237 -0.121 -1.988 375 HD1 TRP 519 HD TRP 519 8.028 3.293 -1.552 376 HE1 TRP 519 1HE TRP 519 9.197 3.861 -3.774 377 HE3 TRP 519 3HE TRP 519 6.416 -0.668 -4.355 378 HZ2 TRP 519 2HZ TRP 519 9.409 2.775 -6.370 379 HZ3 TRP 519 3HZ TRP 519 7.147 -0.828 -6.699 380 HH2 TRP 519 HH TRP 519 8.612 0.859 -7.684 381 H PHE 520 H PHE 520 3.740 -0.509 -1.586 382 HA PHE 520 HA PHE 520 3.453 -1.073 1.237 383 HB2 PHE 520 1HB PHE 520 0.932 -1.172 1.041 384 HB3 PHE 520 2HB PHE 520 1.625 0.447 1.046 385 HD1 PHE 520 1HD PHE 520 1.371 1.898 -0.801 386 HD2 PHE 520 2HD PHE 520 0.136 -2.165 -1.087 387 HE1 PHE 520 1HE PHE 520 0.211 2.403 -2.912 388 HE2 PHE 520 2HE PHE 520 -1.024 -1.668 -3.200 389 HZ PHE 520 HZ PHE 520 -0.987 0.619 -4.115 390 HA PRO 521 HA PRO 521 3.291 -5.227 -0.163 391 HB2 PRO 521 1HB PRO 521 1.743 -6.390 1.741 392 HB3 PRO 521 2HB PRO 521 3.402 -5.859 2.043 393 HG2 PRO 521 1HG PRO 521 0.823 -4.488 2.702 394 HG3 PRO 521 2HG PRO 521 2.284 -4.659 3.691 395 HD2 PRO 521 1HD PRO 521 1.703 -2.390 2.333 396 HD3 PRO 521 2HD PRO 521 3.370 -2.935 2.614 397 H ALA 522 H ALA 522 2.218 -5.685 -1.989 398 HA ALA 522 HA ALA 522 -0.403 -5.003 -2.614 399 HB1 ALA 522 1HB ALA 522 1.145 -7.343 -3.718 400 HB2 ALA 522 2HB ALA 522 -0.214 -6.518 -4.483 401 HB3 ALA 522 3HB ALA 522 1.317 -5.672 -4.257 402 H ASP 523 H ASP 523 0.838 -7.688 -0.797 403 HA ASP 523 HA ASP 523 -1.428 -9.381 -0.996 404 HB2 ASP 523 1HB ASP 523 0.830 -10.137 -0.265 405 HB3 ASP 523 2HB ASP 523 0.606 -9.246 1.238 406 H CYS 524 H CYS 524 -1.007 -6.420 0.514 407 HA CYS 524 HA CYS 524 -3.161 -6.966 2.443 408 HB2 CYS 524 1HB CYS 524 -1.128 -4.725 2.441 409 HB3 CYS 524 2HB CYS 524 -2.386 -4.961 3.648 410 HG CYS 524 HG CYS 524 0.284 -5.722 4.501 411 H VAL 525 H VAL 525 -2.883 -5.953 -0.568 412 HA VAL 525 HA VAL 525 -5.071 -4.008 -0.291 413 HB VAL 525 HB VAL 525 -4.199 -2.579 -1.972 414 HG11 VAL 525 1HG1 VAL 525 -3.097 -2.708 0.430 415 HG12 VAL 525 2HG1 VAL 525 -1.663 -3.112 -0.517 416 HG13 VAL 525 3HG1 VAL 525 -2.509 -1.590 -0.800 417 HG21 VAL 525 1HG2 VAL 525 -3.105 -3.525 -3.668 418 HG22 VAL 525 2HG2 VAL 525 -1.664 -3.461 -2.653 419 HG23 VAL 525 3HG2 VAL 525 -2.650 -4.923 -2.695 420 H GLU 526 H GLU 526 -6.428 -3.819 -2.202 421 HA GLU 526 HA GLU 526 -6.196 -5.887 -4.222 422 HB2 GLU 526 1HB GLU 526 -8.181 -5.972 -2.016 423 HB3 GLU 526 2HB GLU 526 -8.773 -6.352 -3.628 424 HG2 GLU 526 1HG GLU 526 -7.181 -8.138 -3.848 425 HG3 GLU 526 2HG GLU 526 -6.429 -7.705 -2.313 426 H GLU 527 H GLU 527 -6.980 -5.215 -6.128 427 HA GLU 527 HA GLU 527 -7.818 -2.553 -6.482 428 HB2 GLU 527 1HB GLU 527 -6.794 -4.365 -8.143 429 HB3 GLU 527 2HB GLU 527 -8.489 -4.591 -8.549 430 HG2 GLU 527 1HG GLU 527 -7.877 -1.796 -8.481 431 HG3 GLU 527 2HG GLU 527 -6.727 -2.639 -9.518 432 H VAL 528 H VAL 528 -9.825 -1.697 -7.140 433 HA VAL 528 HA VAL 528 -12.044 -2.441 -5.696 434 HB VAL 528 HB VAL 528 -13.371 -1.018 -7.130 435 HG11 VAL 528 1HG1 VAL 528 -12.354 0.913 -6.533 436 HG12 VAL 528 2HG1 VAL 528 -11.278 -0.189 -5.671 437 HG13 VAL 528 3HG1 VAL 528 -10.810 0.449 -7.247 438 HG21 VAL 528 1HG2 VAL 528 -12.646 -1.830 -9.294 439 HG22 VAL 528 2HG2 VAL 528 -12.442 -0.081 -9.214 440 HG23 VAL 528 3HG2 VAL 528 -11.042 -1.140 -9.045 441 H GLN 529 H GLN 529 -10.961 -3.635 -8.796 442 HA GLN 529 HA GLN 529 -13.397 -5.246 -9.069 443 HB2 GLN 529 1HB GLN 529 -11.155 -4.800 -11.048 444 HB3 GLN 529 2HB GLN 529 -12.645 -5.681 -11.358 445 HG2 GLN 529 1HG GLN 529 -13.653 -3.326 -10.537 446 HG3 GLN 529 2HG GLN 529 -12.138 -2.786 -11.261 447 HE21 GLN 529 1HE2 GLN 529 -15.192 -3.362 -13.614 448 HE22 GLN 529 2HE2 GLN 529 -15.223 -2.981 -11.929 449 H MET 530 H MET 530 -13.067 -7.511 -9.879 450 HA MET 530 HA MET 530 -11.121 -8.823 -8.167 451 HB2 MET 530 1HB MET 530 -13.522 -9.559 -8.317 452 HB3 MET 530 2HB MET 530 -13.191 -10.097 -9.959 453 HG2 MET 530 1HG MET 530 -11.438 -11.094 -7.783 454 HG3 MET 530 2HG MET 530 -13.076 -11.735 -7.898 455 HE1 MET 530 1HE MET 530 -12.426 -14.434 -8.750 456 HE2 MET 530 2HE MET 530 -10.763 -14.519 -9.334 457 HE3 MET 530 3HE MET 530 -11.130 -13.659 -7.838 Start of MODEL 25 1 H1 MET 470 H MET 470 -11.534 13.621 -6.950 2 HA MET 470 HA MET 470 -12.607 10.894 -6.893 3 HB2 MET 470 1HB MET 470 -13.488 13.302 -8.494 4 HB3 MET 470 2HB MET 470 -14.278 11.730 -8.499 5 HG2 MET 470 1HG MET 470 -14.611 12.037 -6.014 6 HG3 MET 470 2HG MET 470 -14.104 13.708 -6.251 7 HE1 MET 470 1HE MET 470 -17.957 12.085 -6.073 8 HE2 MET 470 2HE MET 470 -17.515 11.317 -7.598 9 HE3 MET 470 3HE MET 470 -16.466 11.150 -6.189 10 H VAL 471 H VAL 471 -11.649 9.423 -8.121 11 HA VAL 471 HA VAL 471 -10.670 10.201 -10.775 12 HB VAL 471 HB VAL 471 -8.823 8.334 -10.136 13 HG11 VAL 471 1HG1 VAL 471 -8.243 11.149 -9.345 14 HG12 VAL 471 2HG1 VAL 471 -7.284 10.030 -10.317 15 HG13 VAL 471 3HG1 VAL 471 -8.710 10.804 -11.010 16 HG21 VAL 471 1HG2 VAL 471 -9.814 8.450 -7.752 17 HG22 VAL 471 2HG2 VAL 471 -8.061 8.474 -7.944 18 HG23 VAL 471 3HG2 VAL 471 -8.934 9.974 -7.632 19 HA PRO 472 HA PRO 472 -13.330 6.460 -11.056 20 HB2 PRO 472 1HB PRO 472 -14.432 7.169 -13.434 21 HB3 PRO 472 2HB PRO 472 -15.048 7.744 -11.881 22 HG2 PRO 472 1HG PRO 472 -13.252 9.128 -13.835 23 HG3 PRO 472 2HG PRO 472 -14.630 9.777 -12.930 24 HD2 PRO 472 1HD PRO 472 -12.064 10.194 -12.174 25 HD3 PRO 472 2HD PRO 472 -13.394 10.061 -11.005 26 H GLY 473 H GLY 473 -11.156 5.446 -11.331 27 HA2 GLY 473 1HA GLY 473 -10.970 4.260 -13.930 28 HA3 GLY 473 2HA GLY 473 -9.645 5.372 -13.621 29 H ARG 474 H ARG 474 -8.109 4.875 -12.032 30 HA ARG 474 HA ARG 474 -8.041 2.025 -11.327 31 HB2 ARG 474 1HB ARG 474 -6.132 3.651 -12.504 32 HB3 ARG 474 2HB ARG 474 -5.600 3.543 -10.831 33 HG2 ARG 474 1HG ARG 474 -4.515 1.763 -11.801 34 HG3 ARG 474 2HG ARG 474 -5.962 0.995 -11.146 35 HD2 ARG 474 1HD ARG 474 -5.719 1.976 -13.984 36 HD3 ARG 474 2HD ARG 474 -5.369 0.321 -13.487 37 HE ARG 474 HE ARG 474 -7.934 1.457 -13.926 38 HH11 ARG 474 1HH1 ARG 474 -7.617 -1.772 -11.580 39 HH12 ARG 474 2HH1 ARG 474 -6.217 -0.810 -11.917 40 HH21 ARG 474 1HH2 ARG 474 -9.647 -1.198 -12.476 41 HH22 ARG 474 2HH2 ARG 474 -9.785 0.198 -13.490 42 H LYS 475 H LYS 475 -8.696 1.571 -9.338 43 HA LYS 475 HA LYS 475 -7.751 3.243 -7.124 44 HB2 LYS 475 1HB LYS 475 -9.965 4.061 -7.436 45 HB3 LYS 475 2HB LYS 475 -10.610 2.439 -7.648 46 HG2 LYS 475 1HG LYS 475 -11.242 3.240 -5.487 47 HG3 LYS 475 2HG LYS 475 -10.045 1.959 -5.281 48 HD2 LYS 475 1HD LYS 475 -9.282 3.568 -3.808 49 HD3 LYS 475 2HD LYS 475 -8.341 3.930 -5.257 50 HE2 LYS 475 1HE LYS 475 -9.202 5.981 -4.321 51 HE3 LYS 475 2HE LYS 475 -9.999 5.658 -5.860 52 HZ1 LYS 475 1HZ LYS 475 -11.962 5.047 -4.799 53 HZ2 LYS 475 2HZ LYS 475 -11.441 6.391 -3.915 54 HZ3 LYS 475 3HZ LYS 475 -11.215 4.834 -3.296 55 H PHE 476 H PHE 476 -7.534 2.160 -5.136 56 HA PHE 476 HA PHE 476 -7.920 -0.752 -5.207 57 HB2 PHE 476 1HB PHE 476 -5.398 0.766 -4.698 58 HB3 PHE 476 2HB PHE 476 -5.676 -0.727 -3.807 59 HD1 PHE 476 1HD PHE 476 -5.144 -2.768 -4.763 60 HD2 PHE 476 2HD PHE 476 -5.598 0.651 -7.257 61 HE1 PHE 476 1HE PHE 476 -4.332 -4.069 -6.687 62 HE2 PHE 476 2HE PHE 476 -4.788 -0.645 -9.185 63 HZ PHE 476 HZ PHE 476 -4.155 -3.007 -8.903 64 H ILE 477 H ILE 477 -7.851 -1.751 -3.040 65 HA ILE 477 HA ILE 477 -8.516 0.111 -0.869 66 HB ILE 477 HB ILE 477 -10.617 -0.767 -1.918 67 HG12 ILE 477 1HG1 ILE 477 -11.376 -1.809 0.441 68 HG13 ILE 477 2HG1 ILE 477 -9.844 -1.096 0.932 69 HG21 ILE 477 1HG2 ILE 477 -9.309 -3.138 -2.054 70 HG22 ILE 477 2HG2 ILE 477 -10.310 -3.384 -0.624 71 HG23 ILE 477 3HG2 ILE 477 -11.060 -2.957 -2.162 72 HD11 ILE 477 1HD1 ILE 477 -12.377 0.183 0.185 73 HD12 ILE 477 2HD1 ILE 477 -11.114 0.714 1.295 74 HD13 ILE 477 3HD1 ILE 477 -10.921 0.957 -0.440 75 H ALA 478 H ALA 478 -7.698 -0.433 1.075 76 HA ALA 478 HA ALA 478 -5.883 -2.671 1.207 77 HB1 ALA 478 1HB ALA 478 -4.870 -1.075 2.409 78 HB2 ALA 478 2HB ALA 478 -6.383 -0.237 2.757 79 HB3 ALA 478 3HB ALA 478 -5.907 -1.632 3.725 80 H VAL 479 H VAL 479 -6.253 -4.604 2.091 81 HA VAL 479 HA VAL 479 -8.820 -5.026 3.459 82 HB VAL 479 HB VAL 479 -8.339 -7.473 3.012 83 HG11 VAL 479 1HG1 VAL 479 -9.603 -5.605 1.512 84 HG12 VAL 479 2HG1 VAL 479 -8.441 -6.242 0.345 85 HG13 VAL 479 3HG1 VAL 479 -9.580 -7.329 1.141 86 HG21 VAL 479 1HG2 VAL 479 -6.606 -6.936 0.761 87 HG22 VAL 479 2HG2 VAL 479 -5.840 -6.493 2.287 88 HG23 VAL 479 3HG2 VAL 479 -6.443 -8.134 2.046 89 H LYS 480 H LYS 480 -5.441 -4.956 3.957 90 HA LYS 480 HA LYS 480 -5.817 -6.076 6.654 91 HB2 LYS 480 1HB LYS 480 -3.207 -6.344 5.198 92 HB3 LYS 480 2HB LYS 480 -3.809 -7.270 6.566 93 HG2 LYS 480 1HG LYS 480 -4.859 -7.430 3.748 94 HG3 LYS 480 2HG LYS 480 -3.765 -8.588 4.510 95 HD2 LYS 480 1HD LYS 480 -6.184 -8.056 6.064 96 HD3 LYS 480 2HD LYS 480 -6.502 -8.762 4.477 97 HE2 LYS 480 1HE LYS 480 -6.241 -10.622 5.845 98 HE3 LYS 480 2HE LYS 480 -4.653 -10.445 5.101 99 HZ1 LYS 480 1HZ LYS 480 -5.154 -9.120 7.669 100 HZ2 LYS 480 2HZ LYS 480 -3.715 -9.755 7.048 101 HZ3 LYS 480 3HZ LYS 480 -4.900 -10.793 7.663 102 H ALA 481 H ALA 481 -3.522 -5.525 7.860 103 HA ALA 481 HA ALA 481 -3.291 -2.597 7.635 104 HB1 ALA 481 1HB ALA 481 -4.180 -3.818 9.778 105 HB2 ALA 481 2HB ALA 481 -2.462 -4.060 10.095 106 HB3 ALA 481 3HB ALA 481 -3.104 -2.427 9.915 107 H HIS 482 H HIS 482 -1.206 -1.642 8.080 108 HA HIS 482 HA HIS 482 1.155 -3.240 8.198 109 HB2 HIS 482 1HB HIS 482 0.494 -3.530 5.805 110 HB3 HIS 482 2HB HIS 482 0.644 -1.788 5.595 111 HD1 HIS 482 1HD HIS 482 2.759 -4.819 6.394 112 HD2 HIS 482 2HD HIS 482 3.185 -0.897 5.091 113 HE1 HIS 482 1HE HIS 482 5.177 -4.586 5.742 114 H SER 483 H SER 483 3.057 -1.996 8.468 115 HA SER 483 HA SER 483 2.578 0.885 8.862 116 HB2 SER 483 1HB SER 483 4.687 -0.123 10.562 117 HB3 SER 483 2HB SER 483 3.214 0.739 11.007 118 HG SER 483 HG SER 483 2.905 -1.179 11.931 119 HA PRO 484 HA PRO 484 6.076 1.675 6.331 120 HB2 PRO 484 1HB PRO 484 7.021 3.959 7.451 121 HB3 PRO 484 2HB PRO 484 5.536 3.902 6.494 122 HG2 PRO 484 1HG PRO 484 5.874 3.901 9.468 123 HG3 PRO 484 2HG PRO 484 4.708 4.794 8.475 124 HD2 PRO 484 1HD PRO 484 4.058 2.521 9.797 125 HD3 PRO 484 2HD PRO 484 3.316 2.971 8.248 126 H GLN 485 H GLN 485 7.712 0.244 6.518 127 HA GLN 485 HA GLN 485 9.100 -0.434 8.828 128 HB2 GLN 485 1HB GLN 485 9.939 -0.561 5.931 129 HB3 GLN 485 2HB GLN 485 10.883 -1.258 7.241 130 HG2 GLN 485 1HG GLN 485 8.166 -2.065 6.264 131 HG3 GLN 485 2HG GLN 485 9.641 -3.027 6.336 132 HE21 GLN 485 1HE2 GLN 485 7.237 -2.622 9.586 133 HE22 GLN 485 2HE2 GLN 485 7.025 -1.645 8.177 134 H GLY 486 H GLY 486 9.441 2.312 6.752 135 HA2 GLY 486 1HA GLY 486 10.883 3.885 8.459 136 HA3 GLY 486 2HA GLY 486 12.108 2.993 7.570 137 H GLU 487 H GLU 487 12.173 3.225 5.246 138 HA GLU 487 HA GLU 487 10.975 5.757 4.329 139 HB2 GLU 487 1HB GLU 487 13.056 5.853 2.813 140 HB3 GLU 487 2HB GLU 487 13.246 6.270 4.510 141 HG2 GLU 487 1HG GLU 487 14.639 4.573 4.894 142 HG3 GLU 487 2HG GLU 487 13.673 3.441 3.950 143 H GLY 488 H GLY 488 10.077 5.809 2.310 144 HA2 GLY 488 1HA GLY 488 9.343 5.048 0.258 145 HA3 GLY 488 2HA GLY 488 10.504 3.735 0.377 146 H GLU 489 H GLU 489 8.112 4.355 2.850 147 HA GLU 489 HA GLU 489 6.364 2.259 1.843 148 HB2 GLU 489 1HB GLU 489 7.695 2.059 4.551 149 HB3 GLU 489 2HB GLU 489 6.457 0.974 3.932 150 HG2 GLU 489 1HG GLU 489 8.135 0.586 1.991 151 HG3 GLU 489 2HG GLU 489 9.317 1.233 3.128 152 H ILE 490 H ILE 490 4.284 2.310 2.709 153 HA ILE 490 HA ILE 490 3.718 4.548 4.538 154 HB ILE 490 HB ILE 490 1.478 4.684 3.266 155 HG12 ILE 490 1HG1 ILE 490 3.198 3.394 1.137 156 HG13 ILE 490 2HG1 ILE 490 1.842 2.618 1.946 157 HG21 ILE 490 1HG2 ILE 490 4.071 5.637 2.064 158 HG22 ILE 490 2HG2 ILE 490 2.479 6.226 1.587 159 HG23 ILE 490 3HG2 ILE 490 3.058 6.485 3.232 160 HD11 ILE 490 1HD1 ILE 490 1.856 4.355 -0.330 161 HD12 ILE 490 2HD1 ILE 490 0.533 3.405 0.349 162 HD13 ILE 490 3HD1 ILE 490 0.849 5.033 0.949 163 HA PRO 491 HA PRO 491 1.374 1.765 6.993 164 HB2 PRO 491 1HB PRO 491 -0.637 3.364 7.870 165 HB3 PRO 491 2HB PRO 491 1.028 3.512 8.445 166 HG2 PRO 491 1HG PRO 491 -0.410 5.123 6.373 167 HG3 PRO 491 2HG PRO 491 0.677 5.672 7.662 168 HD2 PRO 491 1HD PRO 491 1.488 5.396 5.094 169 HD3 PRO 491 2HD PRO 491 2.573 5.122 6.473 170 H LEU 492 H LEU 492 -0.893 0.927 7.358 171 HA LEU 492 HA LEU 492 -2.765 1.287 5.186 172 HB2 LEU 492 1HB LEU 492 -1.231 -1.265 5.580 173 HB3 LEU 492 2HB LEU 492 -2.801 -1.232 4.781 174 HG LEU 492 HG LEU 492 -0.279 0.135 3.848 175 HD11 LEU 492 1HD1 LEU 492 -0.840 -1.439 1.850 176 HD12 LEU 492 2HD1 LEU 492 -1.727 -2.354 3.067 177 HD13 LEU 492 3HD1 LEU 492 0.002 -2.072 3.263 178 HD21 LEU 492 1HD2 LEU 492 -1.586 1.520 2.708 179 HD22 LEU 492 2HD2 LEU 492 -3.037 0.708 3.296 180 HD23 LEU 492 3HD2 LEU 492 -2.232 0.129 1.837 181 H HIS 493 H HIS 493 -4.835 0.538 5.661 182 HA HIS 493 HA HIS 493 -5.268 -0.901 8.155 183 HB2 HIS 493 1HB HIS 493 -5.741 1.963 7.819 184 HB3 HIS 493 2HB HIS 493 -7.178 1.091 8.346 185 HD1 HIS 493 1HD HIS 493 -7.290 0.427 10.761 186 HD2 HIS 493 2HD HIS 493 -3.500 1.695 9.630 187 HE1 HIS 493 1HE HIS 493 -5.969 0.582 12.896 188 H ARG 494 H ARG 494 -7.052 -2.173 8.113 189 HA ARG 494 HA ARG 494 -8.254 -2.845 5.701 190 HB2 ARG 494 1HB ARG 494 -9.899 -4.089 7.060 191 HB3 ARG 494 2HB ARG 494 -8.245 -4.363 7.593 192 HG2 ARG 494 1HG ARG 494 -8.725 -2.490 9.300 193 HG3 ARG 494 2HG ARG 494 -10.419 -2.802 8.922 194 HD2 ARG 494 1HD ARG 494 -9.221 -5.313 9.315 195 HD3 ARG 494 2HD ARG 494 -8.627 -4.276 10.611 196 HE ARG 494 HE ARG 494 -10.724 -4.284 11.526 197 HH11 ARG 494 1HH1 ARG 494 -12.584 -5.848 8.345 198 HH12 ARG 494 2HH1 ARG 494 -10.917 -5.390 8.230 199 HH21 ARG 494 1HH2 ARG 494 -13.722 -5.558 10.312 200 HH22 ARG 494 2HH2 ARG 494 -12.919 -4.883 11.689 201 H GLY 495 H GLY 495 -9.668 -1.794 4.479 202 HA2 GLY 495 1HA GLY 495 -11.889 -0.873 4.231 203 HA3 GLY 495 2HA GLY 495 -11.695 -0.115 5.805 204 H GLU 496 H GLU 496 -8.808 0.464 4.720 205 HA GLU 496 HA GLU 496 -9.407 3.145 3.920 206 HB2 GLU 496 1HB GLU 496 -6.803 1.621 4.064 207 HB3 GLU 496 2HB GLU 496 -6.917 3.326 3.655 208 HG2 GLU 496 1HG GLU 496 -7.321 1.967 6.262 209 HG3 GLU 496 2HG GLU 496 -6.458 3.456 5.883 210 H ALA 497 H ALA 497 -8.579 4.151 1.948 211 HA ALA 497 HA ALA 497 -8.861 2.338 -0.351 212 HB1 ALA 497 1HB ALA 497 -9.668 4.181 -1.618 213 HB2 ALA 497 2HB ALA 497 -10.520 4.200 -0.072 214 HB3 ALA 497 3HB ALA 497 -9.196 5.330 -0.365 215 H VAL 498 H VAL 498 -7.011 1.801 -1.292 216 HA VAL 498 HA VAL 498 -4.738 3.651 -1.158 217 HB VAL 498 HB VAL 498 -4.569 0.838 -2.189 218 HG11 VAL 498 1HG1 VAL 498 -2.634 2.259 -2.516 219 HG12 VAL 498 2HG1 VAL 498 -2.614 2.669 -0.800 220 HG13 VAL 498 3HG1 VAL 498 -2.272 1.019 -1.317 221 HG21 VAL 498 1HG2 VAL 498 -5.698 0.640 -0.059 222 HG22 VAL 498 2HG2 VAL 498 -4.026 0.103 0.106 223 HG23 VAL 498 3HG2 VAL 498 -4.507 1.692 0.705 224 H LYS 499 H LYS 499 -3.445 4.033 -3.042 225 HA LYS 499 HA LYS 499 -4.880 3.639 -5.584 226 HB2 LYS 499 1HB LYS 499 -4.717 6.049 -4.407 227 HB3 LYS 499 2HB LYS 499 -3.188 6.059 -5.277 228 HG2 LYS 499 1HG LYS 499 -4.549 7.007 -6.838 229 HG3 LYS 499 2HG LYS 499 -4.702 5.307 -7.290 230 HD2 LYS 499 1HD LYS 499 -6.900 6.184 -7.264 231 HD3 LYS 499 2HD LYS 499 -6.737 5.223 -5.792 232 HE2 LYS 499 1HE LYS 499 -7.863 7.351 -5.356 233 HE3 LYS 499 2HE LYS 499 -6.324 7.247 -4.502 234 HZ1 LYS 499 1HZ LYS 499 -7.133 9.285 -6.130 235 HZ2 LYS 499 2HZ LYS 499 -6.039 8.422 -7.088 236 HZ3 LYS 499 3HZ LYS 499 -5.556 9.015 -5.579 237 H VAL 500 H VAL 500 -3.649 2.001 -6.387 238 HA VAL 500 HA VAL 500 -0.825 1.859 -6.170 239 HB VAL 500 HB VAL 500 -2.691 0.476 -8.103 240 HG11 VAL 500 1HG1 VAL 500 0.247 0.350 -7.716 241 HG12 VAL 500 2HG1 VAL 500 -0.606 -1.169 -7.999 242 HG13 VAL 500 3HG1 VAL 500 -0.715 0.137 -9.179 243 HG21 VAL 500 1HG2 VAL 500 -1.390 -0.609 -5.612 244 HG22 VAL 500 2HG2 VAL 500 -3.030 0.039 -5.657 245 HG23 VAL 500 3HG2 VAL 500 -2.619 -1.386 -6.612 246 H LEU 501 H LEU 501 0.767 2.601 -7.455 247 HA LEU 501 HA LEU 501 0.009 3.928 -9.970 248 HB2 LEU 501 1HB LEU 501 1.380 5.014 -7.622 249 HB3 LEU 501 2HB LEU 501 2.207 5.326 -9.146 250 HG LEU 501 HG LEU 501 0.013 6.288 -9.979 251 HD11 LEU 501 1HD1 LEU 501 -0.629 5.992 -7.058 252 HD12 LEU 501 2HD1 LEU 501 -1.554 5.417 -8.444 253 HD13 LEU 501 3HD1 LEU 501 -1.450 7.145 -8.109 254 HD21 LEU 501 1HD2 LEU 501 0.647 8.089 -7.816 255 HD22 LEU 501 2HD2 LEU 501 0.946 8.258 -9.546 256 HD23 LEU 501 3HD2 LEU 501 2.110 7.409 -8.530 257 H SER 502 H SER 502 2.720 2.614 -8.081 258 HA SER 502 HA SER 502 3.928 1.720 -10.617 259 HB2 SER 502 1HB SER 502 5.119 3.068 -8.258 260 HB3 SER 502 2HB SER 502 6.066 1.764 -8.975 261 HG SER 502 HG SER 502 6.058 2.853 -10.919 262 H ILE 503 H ILE 503 5.382 -0.196 -10.345 263 HA ILE 503 HA ILE 503 4.410 -2.002 -8.232 264 HB ILE 503 HB ILE 503 4.909 -2.786 -11.106 265 HG12 ILE 503 1HG1 ILE 503 2.853 -1.454 -10.835 266 HG13 ILE 503 2HG1 ILE 503 2.490 -3.127 -11.244 267 HG21 ILE 503 1HG2 ILE 503 3.458 -4.772 -9.814 268 HG22 ILE 503 2HG2 ILE 503 5.160 -4.831 -10.269 269 HG23 ILE 503 3HG2 ILE 503 4.698 -4.297 -8.652 270 HD11 ILE 503 1HD1 ILE 503 1.030 -2.112 -9.494 271 HD12 ILE 503 2HD1 ILE 503 1.832 -3.609 -9.016 272 HD13 ILE 503 3HD1 ILE 503 2.440 -2.059 -8.438 273 H GLY 504 H GLY 504 5.915 -3.265 -7.256 274 HA2 GLY 504 1HA GLY 504 8.705 -2.730 -7.955 275 HA3 GLY 504 2HA GLY 504 8.129 -3.443 -6.455 276 H GLU 505 H GLU 505 8.874 -5.439 -6.243 277 HA GLU 505 HA GLU 505 9.664 -7.021 -8.495 278 HB2 GLU 505 1HB GLU 505 9.708 -7.329 -5.536 279 HB3 GLU 505 2HB GLU 505 9.789 -8.793 -6.506 280 HG2 GLU 505 1HG GLU 505 11.654 -7.364 -7.762 281 HG3 GLU 505 2HG GLU 505 11.769 -6.629 -6.165 282 H GLY 506 H GLY 506 6.798 -6.696 -6.593 283 HA2 GLY 506 1HA GLY 506 4.939 -7.767 -8.122 284 HA3 GLY 506 2HA GLY 506 5.714 -9.238 -7.552 285 H GLY 507 H GLY 507 6.291 -7.921 -4.921 286 HA2 GLY 507 1HA GLY 507 3.580 -8.260 -3.806 287 HA3 GLY 507 2HA GLY 507 5.070 -8.636 -2.951 288 H PHE 508 H PHE 508 5.904 -5.922 -4.411 289 HA PHE 508 HA PHE 508 4.726 -4.166 -2.363 290 HB2 PHE 508 1HB PHE 508 7.367 -4.978 -2.407 291 HB3 PHE 508 2HB PHE 508 7.421 -3.406 -3.200 292 HD1 PHE 508 1HD PHE 508 8.140 -1.787 -1.752 293 HD2 PHE 508 2HD PHE 508 5.469 -4.781 -0.331 294 HE1 PHE 508 1HE PHE 508 8.068 -0.677 0.443 295 HE2 PHE 508 2HE PHE 508 5.392 -3.675 1.865 296 HZ PHE 508 HZ PHE 508 6.691 -1.620 2.255 297 H TRP 509 H TRP 509 3.503 -2.717 -3.364 298 HA TRP 509 HA TRP 509 4.436 -1.630 -5.939 299 HB2 TRP 509 1HB TRP 509 1.582 -1.741 -4.948 300 HB3 TRP 509 2HB TRP 509 2.130 -1.256 -6.551 301 HD1 TRP 509 HD TRP 509 4.255 -3.912 -6.497 302 HE1 TRP 509 1HE TRP 509 3.222 -6.161 -7.204 303 HE3 TRP 509 3HE TRP 509 -0.687 -2.778 -5.843 304 HZ2 TRP 509 2HZ TRP 509 0.652 -7.303 -7.453 305 HZ3 TRP 509 3HZ TRP 509 -2.369 -4.503 -6.339 306 HH2 TRP 509 HH TRP 509 -1.711 -6.718 -7.128 307 H GLU 510 H GLU 510 4.216 0.599 -6.320 308 HA GLU 510 HA GLU 510 4.196 2.198 -3.871 309 HB2 GLU 510 1HB GLU 510 6.038 2.993 -4.893 310 HB3 GLU 510 2HB GLU 510 5.547 2.369 -6.461 311 HG2 GLU 510 1HG GLU 510 5.735 4.765 -6.551 312 HG3 GLU 510 2HG GLU 510 4.049 4.289 -6.742 313 H GLY 511 H GLY 511 2.597 3.562 -3.377 314 HA2 GLY 511 1HA GLY 511 0.934 4.743 -5.428 315 HA3 GLY 511 2HA GLY 511 0.106 3.564 -4.422 316 H THR 512 H THR 512 -1.288 5.262 -3.714 317 HA THR 512 HA THR 512 -0.106 6.809 -1.520 318 HB THR 512 HB THR 512 -1.991 7.964 -3.584 319 HG1 THR 512 1HG THR 512 -0.008 9.466 -3.613 320 HG21 THR 512 1HG2 THR 512 -2.464 8.764 -1.299 321 HG22 THR 512 2HG2 THR 512 -1.818 10.042 -2.330 322 HG23 THR 512 3HG2 THR 512 -0.779 9.259 -1.139 323 H VAL 513 H VAL 513 -1.358 6.954 0.280 324 HA VAL 513 HA VAL 513 -4.182 6.271 0.161 325 HB VAL 513 HB VAL 513 -2.757 4.134 0.489 326 HG11 VAL 513 1HG1 VAL 513 -1.792 3.702 2.535 327 HG12 VAL 513 2HG1 VAL 513 -1.429 5.418 2.335 328 HG13 VAL 513 3HG1 VAL 513 -2.765 4.912 3.370 329 HG21 VAL 513 1HG2 VAL 513 -4.928 3.632 0.823 330 HG22 VAL 513 2HG2 VAL 513 -4.451 3.582 2.521 331 HG23 VAL 513 3HG2 VAL 513 -5.203 5.033 1.857 332 H LYS 514 H LYS 514 -5.358 7.264 1.717 333 HA LYS 514 HA LYS 514 -5.873 8.741 3.368 334 HB2 LYS 514 1HB LYS 514 -3.413 7.540 4.654 335 HB3 LYS 514 2HB LYS 514 -4.610 8.525 5.484 336 HG2 LYS 514 1HG LYS 514 -5.111 5.850 4.195 337 HG3 LYS 514 2HG LYS 514 -4.952 6.161 5.925 338 HD2 LYS 514 1HD LYS 514 -7.203 6.292 5.841 339 HD3 LYS 514 2HD LYS 514 -6.884 7.937 5.287 340 HE2 LYS 514 1HE LYS 514 -6.845 6.923 2.931 341 HE3 LYS 514 2HE LYS 514 -7.600 5.511 3.669 342 HZ1 LYS 514 1HZ LYS 514 -9.395 6.754 2.970 343 HZ2 LYS 514 2HZ LYS 514 -8.678 8.235 3.362 344 HZ3 LYS 514 3HZ LYS 514 -9.262 7.227 4.589 345 H GLY 515 H GLY 515 -3.853 9.444 1.215 346 HA2 GLY 515 1HA GLY 515 -3.107 11.617 0.689 347 HA3 GLY 515 2HA GLY 515 -3.086 12.000 2.404 348 H ARG 516 H ARG 516 -1.640 9.193 2.530 349 HA ARG 516 HA ARG 516 1.019 10.374 2.401 350 HB2 ARG 516 1HB ARG 516 0.137 7.674 3.439 351 HB3 ARG 516 2HB ARG 516 1.743 8.368 3.609 352 HG2 ARG 516 1HG ARG 516 0.994 9.030 5.610 353 HG3 ARG 516 2HG ARG 516 0.219 10.327 4.697 354 HD2 ARG 516 1HD ARG 516 -1.805 8.899 4.499 355 HD3 ARG 516 2HD ARG 516 -1.022 7.713 5.543 356 HE ARG 516 HE ARG 516 -2.226 10.203 6.339 357 HH11 ARG 516 1HH1 ARG 516 0.005 8.052 8.874 358 HH12 ARG 516 2HH1 ARG 516 0.068 7.721 7.174 359 HH21 ARG 516 1HH2 ARG 516 -1.354 9.716 9.670 360 HH22 ARG 516 2HH2 ARG 516 -2.318 10.648 8.575 361 H THR 517 H THR 517 2.687 9.618 1.138 362 HA THR 517 HA THR 517 1.904 7.775 -1.025 363 HB THR 517 HB THR 517 4.046 9.910 -1.096 364 HG1 THR 517 1HG THR 517 2.117 10.968 -1.191 365 HG21 THR 517 1HG2 THR 517 3.280 7.719 -2.904 366 HG22 THR 517 2HG2 THR 517 4.803 8.598 -2.769 367 HG23 THR 517 3HG2 THR 517 3.460 9.294 -3.676 368 H GLY 518 H GLY 518 3.299 6.134 -1.650 369 HA2 GLY 518 1HA GLY 518 5.880 5.622 -1.144 370 HA3 GLY 518 2HA GLY 518 5.150 5.271 0.415 371 H TRP 519 H TRP 519 6.287 3.166 -0.362 372 HA TRP 519 HA TRP 519 4.625 1.597 -2.165 373 HB2 TRP 519 1HB TRP 519 7.142 0.811 -0.681 374 HB3 TRP 519 2HB TRP 519 6.350 -0.121 -1.948 375 HD1 TRP 519 HD TRP 519 8.078 3.329 -1.543 376 HE1 TRP 519 1HE TRP 519 9.230 3.902 -3.772 377 HE3 TRP 519 3HE TRP 519 6.540 -0.688 -4.306 378 HZ2 TRP 519 2HZ TRP 519 9.456 2.798 -6.360 379 HZ3 TRP 519 3HZ TRP 519 7.268 -0.854 -6.651 380 HH2 TRP 519 HH TRP 519 8.696 0.854 -7.655 381 H PHE 520 H PHE 520 3.717 -0.440 -1.560 382 HA PHE 520 HA PHE 520 3.506 -1.051 1.273 383 HB2 PHE 520 1HB PHE 520 0.989 -1.132 1.119 384 HB3 PHE 520 2HB PHE 520 1.684 0.485 1.090 385 HD1 PHE 520 1HD PHE 520 1.353 1.923 -0.745 386 HD2 PHE 520 2HD PHE 520 0.197 -2.165 -1.008 387 HE1 PHE 520 1HE PHE 520 0.157 2.400 -2.842 388 HE2 PHE 520 2HE PHE 520 -1.000 -1.695 -3.104 389 HZ PHE 520 HZ PHE 520 -1.022 0.590 -4.024 390 HA PRO 521 HA PRO 521 3.315 -5.199 -0.145 391 HB2 PRO 521 1HB PRO 521 1.781 -6.365 1.768 392 HB3 PRO 521 2HB PRO 521 3.444 -5.841 2.057 393 HG2 PRO 521 1HG PRO 521 0.878 -4.464 2.747 394 HG3 PRO 521 2HG PRO 521 2.347 -4.645 3.722 395 HD2 PRO 521 1HD PRO 521 1.762 -2.368 2.379 396 HD3 PRO 521 2HD PRO 521 3.429 -2.920 2.642 397 H ALA 522 H ALA 522 2.224 -5.655 -1.959 398 HA ALA 522 HA ALA 522 -0.401 -4.957 -2.558 399 HB1 ALA 522 1HB ALA 522 -0.226 -6.385 -4.458 400 HB2 ALA 522 2HB ALA 522 1.364 -5.669 -4.185 401 HB3 ALA 522 3HB ALA 522 1.051 -7.335 -3.698 402 H ASP 523 H ASP 523 0.821 -7.571 -0.667 403 HA ASP 523 HA ASP 523 -1.398 -9.324 -0.885 404 HB2 ASP 523 1HB ASP 523 0.809 -10.058 -0.070 405 HB3 ASP 523 2HB ASP 523 0.610 -9.052 1.362 406 H CYS 524 H CYS 524 -1.120 -6.300 0.507 407 HA CYS 524 HA CYS 524 -3.338 -6.834 2.370 408 HB2 CYS 524 1HB CYS 524 -1.362 -4.545 2.439 409 HB3 CYS 524 2HB CYS 524 -2.631 -4.858 3.617 410 HG CYS 524 HG CYS 524 -1.248 -7.569 3.906 411 H VAL 525 H VAL 525 -2.943 -5.891 -0.640 412 HA VAL 525 HA VAL 525 -5.096 -3.889 -0.488 413 HB VAL 525 HB VAL 525 -4.161 -2.563 -2.201 414 HG11 VAL 525 1HG1 VAL 525 -2.497 -1.599 -1.022 415 HG12 VAL 525 2HG1 VAL 525 -2.949 -2.790 0.199 416 HG13 VAL 525 3HG1 VAL 525 -1.585 -3.101 -0.876 417 HG21 VAL 525 1HG2 VAL 525 -1.716 -3.535 -2.954 418 HG22 VAL 525 2HG2 VAL 525 -2.684 -5.004 -2.833 419 HG23 VAL 525 3HG2 VAL 525 -3.206 -3.689 -3.885 420 H GLU 526 H GLU 526 -6.534 -3.842 -2.285 421 HA GLU 526 HA GLU 526 -6.327 -5.983 -4.246 422 HB2 GLU 526 1HB GLU 526 -8.261 -5.944 -2.006 423 HB3 GLU 526 2HB GLU 526 -8.922 -6.338 -3.587 424 HG2 GLU 526 1HG GLU 526 -7.860 -8.328 -3.693 425 HG3 GLU 526 2HG GLU 526 -6.453 -7.751 -2.801 426 H GLU 527 H GLU 527 -7.210 -5.454 -6.170 427 HA GLU 527 HA GLU 527 -7.880 -2.801 -6.737 428 HB2 GLU 527 1HB GLU 527 -7.452 -5.163 -8.201 429 HB3 GLU 527 2HB GLU 527 -9.054 -4.604 -8.660 430 HG2 GLU 527 1HG GLU 527 -8.254 -2.868 -9.810 431 HG3 GLU 527 2HG GLU 527 -7.041 -2.489 -8.587 432 H VAL 528 H VAL 528 -9.841 -1.796 -7.260 433 HA VAL 528 HA VAL 528 -11.987 -2.219 -5.585 434 HB VAL 528 HB VAL 528 -13.315 -0.804 -7.089 435 HG11 VAL 528 1HG1 VAL 528 -12.200 1.065 -6.500 436 HG12 VAL 528 2HG1 VAL 528 -11.147 -0.073 -5.657 437 HG13 VAL 528 3HG1 VAL 528 -10.696 0.532 -7.251 438 HG21 VAL 528 1HG2 VAL 528 -10.974 -1.015 -8.981 439 HG22 VAL 528 2HG2 VAL 528 -12.544 -1.786 -9.212 440 HG23 VAL 528 3HG2 VAL 528 -12.418 -0.026 -9.205 441 H GLN 529 H GLN 529 -11.266 -3.748 -8.630 442 HA GLN 529 HA GLN 529 -13.874 -5.097 -8.610 443 HB2 GLN 529 1HB GLN 529 -11.807 -4.677 -10.758 444 HB3 GLN 529 2HB GLN 529 -13.080 -5.877 -10.928 445 HG2 GLN 529 1HG GLN 529 -13.407 -2.904 -10.627 446 HG3 GLN 529 2HG GLN 529 -13.755 -3.884 -12.050 447 HE21 GLN 529 1HE2 GLN 529 -16.473 -3.437 -9.112 448 HE22 GLN 529 2HE2 GLN 529 -14.908 -2.709 -9.056 449 H MET 530 H MET 530 -10.583 -5.561 -7.894 450 HA MET 530 HA MET 530 -10.973 -8.481 -7.841 451 HB2 MET 530 1HB MET 530 -8.311 -7.074 -8.017 452 HB3 MET 530 2HB MET 530 -8.633 -8.790 -8.226 453 HG2 MET 530 1HG MET 530 -9.510 -6.576 -10.064 454 HG3 MET 530 2HG MET 530 -8.213 -7.732 -10.357 455 HE1 MET 530 1HE MET 530 -9.000 -8.906 -12.576 456 HE2 MET 530 2HE MET 530 -8.443 -9.973 -11.286 457 HE3 MET 530 3HE MET 530 -9.863 -10.408 -12.238
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