NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562992 | 2lxs | 18694 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 586 1H GLY 586 28.085 4.614 -2.807 2 HA2 GLY 586 1HA GLY 586 27.564 5.178 -0.113 3 HA3 GLY 586 2HA GLY 586 26.936 3.592 -0.516 4 H VAL 587 H VAL 587 29.609 5.343 0.462 5 HA VAL 587 HA VAL 587 31.682 3.669 -0.520 6 HB VAL 587 HB VAL 587 31.715 5.456 1.889 7 HG11 VAL 587 1HG1 VAL 587 33.977 4.381 0.203 8 HG12 VAL 587 2HG1 VAL 587 33.572 3.864 1.839 9 HG13 VAL 587 3HG1 VAL 587 34.144 5.507 1.549 10 HG21 VAL 587 3HG2 VAL 587 32.684 7.158 0.421 11 HG22 VAL 587 1HG2 VAL 587 31.068 6.698 -0.109 12 HG23 VAL 587 2HG2 VAL 587 32.482 6.082 -0.960 13 H ARG 588 H ARG 588 30.649 4.151 2.787 14 HA ARG 588 HA ARG 588 30.922 1.265 3.251 15 HB2 ARG 588 1HB ARG 588 31.687 1.735 5.500 16 HB3 ARG 588 2HB ARG 588 32.681 2.636 4.368 17 HG2 ARG 588 1HG ARG 588 32.345 4.213 5.987 18 HG3 ARG 588 2HG ARG 588 31.007 4.577 4.896 19 HD2 ARG 588 1HD ARG 588 30.300 4.556 7.249 20 HD3 ARG 588 2HD ARG 588 29.481 3.313 6.303 21 HE ARG 588 HE ARG 588 31.809 2.259 7.523 22 HH11 ARG 588 1HH1 ARG 588 28.541 3.268 8.279 23 HH12 ARG 588 2HH1 ARG 588 28.394 2.208 9.641 24 HH21 ARG 588 1HH2 ARG 588 31.608 0.853 9.315 25 HH22 ARG 588 2HH2 ARG 588 30.131 0.831 10.225 26 H LYS 589 H LYS 589 28.976 4.020 3.290 27 HA LYS 589 HA LYS 589 26.864 2.557 4.750 28 HB2 LYS 589 1HB LYS 589 27.205 4.561 5.934 29 HB3 LYS 589 2HB LYS 589 27.406 5.502 4.458 30 HG2 LYS 589 1HG LYS 589 24.970 5.053 3.992 31 HG3 LYS 589 2HG LYS 589 24.869 4.376 5.617 32 HD2 LYS 589 1HD LYS 589 24.212 6.543 6.007 33 HD3 LYS 589 2HD LYS 589 25.943 6.663 6.310 34 HE2 LYS 589 1HE LYS 589 24.622 7.330 3.681 35 HE3 LYS 589 2HE LYS 589 25.009 8.515 4.924 36 HZ1 LYS 589 3HZ LYS 589 26.956 6.827 3.449 37 HZ2 LYS 589 1HZ LYS 589 27.352 7.908 4.689 38 HZ3 LYS 589 2HZ LYS 589 26.703 8.483 3.238 39 H GLY 590 H GLY 590 25.882 1.443 3.174 40 HA2 GLY 590 1HA GLY 590 24.269 2.897 1.323 41 HA3 GLY 590 2HA GLY 590 25.515 1.925 0.554 42 H TRP 591 H TRP 591 22.967 1.678 3.009 43 HA TRP 591 HA TRP 591 22.659 -1.171 2.496 44 HB2 TRP 591 1HB TRP 591 20.488 -0.075 4.032 45 HB3 TRP 591 2HB TRP 591 21.694 -1.247 4.530 46 HD1 TRP 591 HD1 TRP 591 23.497 -0.423 6.239 47 HE1 TRP 591 HE1 TRP 591 23.855 1.801 7.511 48 HE3 TRP 591 HE3 TRP 591 20.314 2.577 3.595 49 HZ2 TRP 591 HZ2 TRP 591 22.981 4.474 7.348 50 HZ3 TRP 591 HZ3 TRP 591 20.140 4.948 4.209 51 HH2 TRP 591 HH2 TRP 591 21.446 5.875 6.048 52 H HIS 592 H HIS 592 20.750 1.789 2.204 53 HA HIS 592 HA HIS 592 18.479 0.435 1.091 54 HB2 HIS 592 1HB HIS 592 19.028 3.080 2.094 55 HB3 HIS 592 2HB HIS 592 18.204 3.192 0.534 56 HD1 HIS 592 HD1 HIS 592 17.473 2.984 4.015 57 HD2 HIS 592 HD2 HIS 592 15.773 1.421 0.562 58 HE1 HIS 592 HE1 HIS 592 15.100 2.443 4.617 59 HE2 HIS 592 HE2 HIS 592 14.046 1.655 2.473 60 H GLU 593 H GLU 593 21.360 1.251 -0.371 61 HA GLU 593 HA GLU 593 20.651 2.827 -2.522 62 HB2 GLU 593 1HB GLU 593 22.674 2.055 -3.610 63 HB3 GLU 593 2HB GLU 593 22.962 2.380 -1.911 64 HG2 GLU 593 1HG GLU 593 23.175 0.123 -1.396 65 HG3 GLU 593 2HG GLU 593 22.383 -0.385 -2.888 66 H HIS 594 H HIS 594 20.651 -0.751 -2.395 67 HA HIS 594 HA HIS 594 19.867 -1.159 -5.022 68 HB2 HIS 594 1HB HIS 594 19.067 -3.400 -4.313 69 HB3 HIS 594 2HB HIS 594 20.687 -3.013 -3.731 70 HD1 HIS 594 HD1 HIS 594 21.066 -3.158 -1.244 71 HD2 HIS 594 HD2 HIS 594 17.043 -3.360 -2.268 72 HE1 HIS 594 HE1 HIS 594 19.857 -3.767 0.873 73 HE2 HIS 594 HE2 HIS 594 17.415 -3.720 0.263 74 H VAL 595 H VAL 595 18.020 0.524 -2.859 75 HA VAL 595 HA VAL 595 15.736 0.178 -4.672 76 HB VAL 595 HB VAL 595 15.508 0.469 -1.661 77 HG11 VAL 595 1HG1 VAL 595 13.052 0.377 -2.075 78 HG12 VAL 595 2HG1 VAL 595 13.382 0.557 -3.798 79 HG13 VAL 595 3HG1 VAL 595 13.826 1.842 -2.678 80 HG21 VAL 595 3HG2 VAL 595 14.634 -1.750 -3.509 81 HG22 VAL 595 1HG2 VAL 595 14.274 -1.656 -1.785 82 HG23 VAL 595 2HG2 VAL 595 15.942 -1.817 -2.329 83 H THR 596 H THR 596 15.055 2.100 -5.476 84 HA THR 596 HA THR 596 16.323 4.498 -4.449 85 HB THR 596 HB THR 596 16.381 4.331 -6.820 86 HG1 THR 596 HG1 THR 596 15.768 6.336 -7.161 87 HG21 THR 596 1HG2 THR 596 14.567 2.747 -7.169 88 HG22 THR 596 2HG2 THR 596 14.376 4.151 -8.218 89 HG23 THR 596 3HG2 THR 596 13.388 3.992 -6.769 90 H GLN 597 H GLN 597 15.101 6.420 -3.919 91 HA GLN 597 HA GLN 597 13.031 5.921 -2.084 92 HB2 GLN 597 1HB GLN 597 14.448 7.892 -1.915 93 HB3 GLN 597 2HB GLN 597 13.853 8.491 -3.456 94 HG2 GLN 597 1HG GLN 597 12.819 9.707 -1.668 95 HG3 GLN 597 2HG GLN 597 11.609 8.714 -2.473 96 HE21 GLN 597 1HE2 GLN 597 10.709 6.974 -1.386 97 HE22 GLN 597 2HE2 GLN 597 10.874 6.766 0.316 98 H ASP 598 H ASP 598 13.062 6.936 -5.416 99 HA ASP 598 HA ASP 598 10.360 7.610 -5.732 100 HB2 ASP 598 1HB ASP 598 12.037 8.200 -7.406 101 HB3 ASP 598 2HB ASP 598 12.283 6.498 -7.785 102 H LEU 599 H LEU 599 12.011 4.485 -6.096 103 HA LEU 599 HA LEU 599 9.913 2.978 -7.069 104 HB2 LEU 599 1HB LEU 599 12.316 2.243 -6.707 105 HB3 LEU 599 2HB LEU 599 11.909 2.016 -5.016 106 HG LEU 599 HG LEU 599 10.211 0.348 -5.656 107 HD11 LEU 599 1HD1 LEU 599 10.212 -0.485 -7.979 108 HD12 LEU 599 2HD1 LEU 599 11.272 0.856 -8.421 109 HD13 LEU 599 3HD1 LEU 599 9.643 1.178 -7.834 110 HD21 LEU 599 3HD2 LEU 599 11.795 -1.403 -6.434 111 HD22 LEU 599 1HD2 LEU 599 12.401 -0.465 -5.071 112 HD23 LEU 599 2HD2 LEU 599 12.999 -0.143 -6.695 113 H ARG 600 H ARG 600 10.814 3.629 -3.707 114 HA ARG 600 HA ARG 600 8.731 2.126 -2.562 115 HB2 ARG 600 1HB ARG 600 10.365 4.402 -1.440 116 HB3 ARG 600 2HB ARG 600 9.217 3.465 -0.490 117 HG2 ARG 600 1HG ARG 600 10.529 1.413 -1.191 118 HG3 ARG 600 2HG ARG 600 11.761 2.531 -1.778 119 HD2 ARG 600 1HD ARG 600 10.695 2.537 1.036 120 HD3 ARG 600 2HD ARG 600 12.130 1.647 0.538 121 HE ARG 600 HE ARG 600 13.141 3.799 -0.029 122 HH11 ARG 600 1HH1 ARG 600 10.241 3.912 1.945 123 HH12 ARG 600 2HH1 ARG 600 10.730 5.353 2.784 124 HH21 ARG 600 1HH2 ARG 600 13.759 5.709 1.071 125 HH22 ARG 600 2HH2 ARG 600 12.710 6.377 2.280 126 H SER 601 H SER 601 8.968 5.627 -3.238 127 HA SER 601 HA SER 601 6.440 6.227 -2.120 128 HB2 SER 601 1HB SER 601 6.678 8.363 -3.486 129 HB3 SER 601 2HB SER 601 7.977 8.026 -2.344 130 HG SER 601 HG SER 601 7.985 7.908 -5.145 131 H HIS 602 H HIS 602 7.517 5.414 -5.387 132 HA HIS 602 HA HIS 602 5.107 5.872 -6.737 133 HB2 HIS 602 1HB HIS 602 7.415 5.322 -7.731 134 HB3 HIS 602 2HB HIS 602 6.989 3.633 -7.466 135 HD1 HIS 602 HD1 HIS 602 6.207 2.613 -9.559 136 HD2 HIS 602 HD2 HIS 602 5.034 6.588 -9.257 137 HE1 HIS 602 HE1 HIS 602 4.877 3.086 -11.639 138 HE2 HIS 602 HE2 HIS 602 4.294 5.531 -11.496 139 H LEU 603 H LEU 603 6.380 2.905 -5.260 140 HA LEU 603 HA LEU 603 4.119 1.318 -5.835 141 HB2 LEU 603 1HB LEU 603 6.204 0.943 -3.689 142 HB3 LEU 603 2HB LEU 603 5.029 -0.259 -4.186 143 HG LEU 603 HG LEU 603 7.139 0.907 -6.003 144 HD11 LEU 603 1HD1 LEU 603 7.054 -1.816 -4.718 145 HD12 LEU 603 2HD1 LEU 603 8.080 -0.485 -4.187 146 HD13 LEU 603 3HD1 LEU 603 8.304 -1.185 -5.789 147 HD21 LEU 603 3HD2 LEU 603 5.220 -1.389 -6.377 148 HD22 LEU 603 1HD2 LEU 603 6.489 -0.914 -7.503 149 HD23 LEU 603 2HD2 LEU 603 5.142 0.176 -7.187 150 H VAL 604 H VAL 604 4.923 3.357 -3.072 151 HA VAL 604 HA VAL 604 2.853 2.417 -1.379 152 HB VAL 604 HB VAL 604 4.404 5.004 -1.417 153 HG11 VAL 604 1HG1 VAL 604 2.111 5.418 -0.554 154 HG12 VAL 604 2HG1 VAL 604 3.366 5.636 0.663 155 HG13 VAL 604 3HG1 VAL 604 2.385 4.172 0.665 156 HG21 VAL 604 3HG2 VAL 604 4.352 2.671 0.499 157 HG22 VAL 604 1HG2 VAL 604 5.360 4.110 0.653 158 HG23 VAL 604 2HG2 VAL 604 5.606 3.002 -0.697 159 H HIS 605 H HIS 605 3.039 5.137 -3.679 160 HA HIS 605 HA HIS 605 0.374 6.009 -3.260 161 HB2 HIS 605 1HB HIS 605 2.105 6.338 -5.713 162 HB3 HIS 605 2HB HIS 605 0.573 7.155 -5.453 163 HD1 HIS 605 HD1 HIS 605 3.765 8.211 -5.575 164 HD2 HIS 605 HD2 HIS 605 1.026 8.269 -2.445 165 HE1 HIS 605 HE1 HIS 605 4.543 10.032 -4.026 166 HE2 HIS 605 HE2 HIS 605 2.801 10.131 -2.207 167 H LYS 606 H LYS 606 1.821 3.700 -5.513 168 HA LYS 606 HA LYS 606 -0.455 3.010 -6.972 169 HB2 LYS 606 1HB LYS 606 1.718 2.187 -7.627 170 HB3 LYS 606 2HB LYS 606 1.903 1.325 -6.107 171 HG2 LYS 606 1HG LYS 606 0.012 -0.130 -6.738 172 HG3 LYS 606 2HG LYS 606 -0.073 0.701 -8.291 173 HD2 LYS 606 1HD LYS 606 2.398 -0.702 -7.287 174 HD3 LYS 606 2HD LYS 606 1.182 -1.481 -8.299 175 HE2 LYS 606 1HE LYS 606 2.738 0.995 -9.038 176 HE3 LYS 606 2HE LYS 606 3.104 -0.637 -9.593 177 HZ1 LYS 606 3HZ LYS 606 1.852 0.517 -11.261 178 HZ2 LYS 606 1HZ LYS 606 0.628 0.901 -10.158 179 HZ3 LYS 606 2HZ LYS 606 0.884 -0.708 -10.612 180 H LEU 607 H LEU 607 0.711 1.824 -3.855 181 HA LEU 607 HA LEU 607 -1.224 -0.160 -3.422 182 HB2 LEU 607 1HB LEU 607 0.936 0.279 -2.156 183 HB3 LEU 607 2HB LEU 607 0.085 1.553 -1.312 184 HG LEU 607 HG LEU 607 -0.938 -1.272 -1.245 185 HD11 LEU 607 1HD1 LEU 607 1.137 -0.038 0.562 186 HD12 LEU 607 2HD1 LEU 607 1.393 -1.373 -0.561 187 HD13 LEU 607 3HD1 LEU 607 0.331 -1.582 0.831 188 HD21 LEU 607 3HD2 LEU 607 -2.407 0.514 -0.429 189 HD22 LEU 607 1HD2 LEU 607 -1.142 1.047 0.678 190 HD23 LEU 607 2HD2 LEU 607 -1.883 -0.540 0.884 191 H VAL 608 H VAL 608 -1.121 3.231 -2.313 192 HA VAL 608 HA VAL 608 -3.679 3.371 -1.226 193 HB VAL 608 HB VAL 608 -2.128 5.556 -2.630 194 HG11 VAL 608 1HG1 VAL 608 -3.502 7.119 -1.346 195 HG12 VAL 608 2HG1 VAL 608 -4.438 5.771 -0.702 196 HG13 VAL 608 3HG1 VAL 608 -4.491 6.136 -2.426 197 HG21 VAL 608 3HG2 VAL 608 -1.444 6.203 -0.361 198 HG22 VAL 608 1HG2 VAL 608 -0.895 4.580 -0.780 199 HG23 VAL 608 2HG2 VAL 608 -2.285 4.793 0.283 200 H GLN 609 H GLN 609 -2.602 4.057 -4.532 201 HA GLN 609 HA GLN 609 -5.061 4.866 -5.595 202 HB2 GLN 609 1HB GLN 609 -2.934 5.251 -6.723 203 HB3 GLN 609 2HB GLN 609 -2.725 3.524 -6.962 204 HG2 GLN 609 1HG GLN 609 -4.606 3.453 -8.461 205 HG3 GLN 609 2HG GLN 609 -4.964 5.151 -8.140 206 HE21 GLN 609 1HE2 GLN 609 -3.700 6.738 -9.064 207 HE22 GLN 609 2HE2 GLN 609 -2.572 6.416 -10.327 208 H ALA 610 H ALA 610 -3.611 1.650 -5.342 209 HA ALA 610 HA ALA 610 -5.532 0.177 -6.723 210 HB1 ALA 610 3HB ALA 610 -3.999 -0.636 -4.256 211 HB2 ALA 610 1HB ALA 610 -3.431 -0.781 -5.919 212 HB3 ALA 610 2HB ALA 610 -4.816 -1.728 -5.374 213 H ILE 611 H ILE 611 -5.496 1.400 -3.446 214 HA ILE 611 HA ILE 611 -7.952 0.110 -2.721 215 HB ILE 611 HB ILE 611 -6.387 2.327 -1.315 216 HG12 ILE 611 1HG1 ILE 611 -6.599 -0.483 -0.226 217 HG13 ILE 611 2HG1 ILE 611 -5.442 -0.121 -1.518 218 HG21 ILE 611 1HG2 ILE 611 -8.651 0.733 -0.114 219 HG22 ILE 611 2HG2 ILE 611 -8.776 2.393 -0.702 220 HG23 ILE 611 3HG2 ILE 611 -7.712 2.014 0.651 221 HD11 ILE 611 3HD1 ILE 611 -4.486 1.646 -0.061 222 HD12 ILE 611 1HD1 ILE 611 -4.363 0.021 0.611 223 HD13 ILE 611 2HD1 ILE 611 -5.594 1.132 1.211 224 H PHE 612 H PHE 612 -7.062 3.193 -4.107 225 HA PHE 612 HA PHE 612 -9.832 3.864 -4.503 226 HB2 PHE 612 1HB PHE 612 -9.264 4.664 -2.163 227 HB3 PHE 612 2HB PHE 612 -8.124 5.775 -2.903 228 HD1 PHE 612 HD2 PHE 612 -11.594 4.806 -3.874 229 HD2 PHE 612 HD1 PHE 612 -8.952 7.897 -2.624 230 HE1 PHE 612 HE2 PHE 612 -13.393 6.460 -4.168 231 HE2 PHE 612 HE1 PHE 612 -10.750 9.550 -2.897 232 HZ PHE 612 HZ PHE 612 -12.973 8.835 -3.674 233 HA PRO 613 HA PRO 613 -7.067 5.086 -7.869 234 HB2 PRO 613 1HB PRO 613 -8.797 4.624 -9.903 235 HB3 PRO 613 2HB PRO 613 -7.956 3.315 -9.057 236 HG2 PRO 613 1HG PRO 613 -10.782 4.252 -8.799 237 HG3 PRO 613 2HG PRO 613 -10.131 2.610 -8.687 238 HD2 PRO 613 1HD PRO 613 -10.852 4.213 -6.515 239 HD3 PRO 613 2HD PRO 613 -9.768 2.799 -6.451 240 H THR 614 H THR 614 -10.376 6.299 -7.474 241 HA THR 614 HA THR 614 -10.063 8.403 -9.387 242 HB THR 614 HB THR 614 -12.239 9.244 -8.362 243 HG1 THR 614 HG1 THR 614 -11.928 8.180 -6.317 244 HG21 THR 614 1HG2 THR 614 -12.113 6.402 -9.392 245 HG22 THR 614 2HG2 THR 614 -12.187 7.863 -10.376 246 HG23 THR 614 3HG2 THR 614 -13.555 7.415 -9.359 247 HA PRO 615 HA PRO 615 -7.952 10.997 -6.345 248 HB2 PRO 615 1HB PRO 615 -7.301 12.760 -8.552 249 HB3 PRO 615 2HB PRO 615 -6.223 11.697 -7.633 250 HG2 PRO 615 1HG PRO 615 -6.830 11.263 -10.261 251 HG3 PRO 615 2HG PRO 615 -6.428 9.949 -9.128 252 HD2 PRO 615 1HD PRO 615 -9.135 10.923 -10.038 253 HD3 PRO 615 2HD PRO 615 -8.544 9.248 -9.898 254 H ASP 616 H ASP 616 -9.974 11.674 -5.442 255 HA ASP 616 HA ASP 616 -11.380 13.910 -6.631 256 HB2 ASP 616 1HB ASP 616 -12.659 12.234 -5.331 257 HB3 ASP 616 2HB ASP 616 -11.695 12.603 -3.905 258 HA PRO 617 HA PRO 617 -8.483 16.880 -5.113 259 HB2 PRO 617 1HB PRO 617 -10.200 19.081 -5.295 260 HB3 PRO 617 2HB PRO 617 -9.208 18.437 -6.612 261 HG2 PRO 617 1HG PRO 617 -12.096 17.988 -6.005 262 HG3 PRO 617 2HG PRO 617 -11.290 18.190 -7.575 263 HD2 PRO 617 1HD PRO 617 -12.059 15.776 -6.702 264 HD3 PRO 617 2HD PRO 617 -10.557 15.984 -7.637 265 H ALA 618 H ALA 618 -11.710 16.555 -3.691 266 HA ALA 618 HA ALA 618 -10.985 18.149 -1.392 267 HB1 ALA 618 3HB ALA 618 -13.283 18.203 -2.223 268 HB2 ALA 618 1HB ALA 618 -13.220 17.593 -0.570 269 HB3 ALA 618 2HB ALA 618 -13.441 16.473 -1.915 270 H ALA 619 H ALA 619 -11.878 14.748 -1.989 271 HA ALA 619 HA ALA 619 -11.276 13.729 0.523 272 HB1 ALA 619 3HB ALA 619 -11.167 11.558 -0.520 273 HB2 ALA 619 1HB ALA 619 -10.908 12.294 -2.101 274 HB3 ALA 619 2HB ALA 619 -12.451 12.502 -1.274 275 H LEU 620 H LEU 620 -9.133 14.567 -2.095 276 HA LEU 620 HA LEU 620 -6.811 13.220 -1.257 277 HB2 LEU 620 1HB LEU 620 -7.520 15.026 -3.276 278 HB3 LEU 620 2HB LEU 620 -6.257 15.839 -2.374 279 HG LEU 620 HG LEU 620 -5.281 14.666 -4.237 280 HD11 LEU 620 1HD1 LEU 620 -3.974 14.727 -2.180 281 HD12 LEU 620 2HD1 LEU 620 -3.659 13.257 -3.100 282 HD13 LEU 620 3HD1 LEU 620 -4.692 13.198 -1.673 283 HD21 LEU 620 3HD2 LEU 620 -6.561 12.178 -3.114 284 HD22 LEU 620 1HD2 LEU 620 -5.434 12.236 -4.468 285 HD23 LEU 620 2HD2 LEU 620 -7.015 13.004 -4.604 286 H LYS 621 H LYS 621 -8.328 16.169 -0.211 287 HA LYS 621 HA LYS 621 -6.073 16.822 1.551 288 HB2 LYS 621 1HB LYS 621 -8.601 18.425 1.065 289 HB3 LYS 621 2HB LYS 621 -7.130 18.977 1.858 290 HG2 LYS 621 1HG LYS 621 -5.923 18.709 -0.281 291 HG3 LYS 621 2HG LYS 621 -7.446 18.275 -1.054 292 HD2 LYS 621 1HD LYS 621 -8.334 20.497 -0.176 293 HD3 LYS 621 2HD LYS 621 -6.651 20.902 0.163 294 HE2 LYS 621 1HE LYS 621 -7.871 20.244 -2.512 295 HE3 LYS 621 2HE LYS 621 -7.235 21.800 -1.983 296 HZ1 LYS 621 3HZ LYS 621 -5.664 19.321 -2.422 297 HZ2 LYS 621 1HZ LYS 621 -5.031 20.773 -1.832 298 HZ3 LYS 621 2HZ LYS 621 -5.657 20.698 -3.399 299 H ASP 622 H ASP 622 -8.178 14.624 1.897 300 HA ASP 622 HA ASP 622 -9.481 15.555 4.358 301 HB2 ASP 622 1HB ASP 622 -11.015 14.642 2.696 302 HB3 ASP 622 2HB ASP 622 -10.086 13.145 2.607 303 H ARG 623 H ARG 623 -9.093 14.646 6.290 304 HA ARG 623 HA ARG 623 -6.638 13.470 6.812 305 HB2 ARG 623 1HB ARG 623 -9.144 13.524 8.483 306 HB3 ARG 623 2HB ARG 623 -7.591 12.959 9.078 307 HG2 ARG 623 1HG ARG 623 -8.237 15.742 8.118 308 HG3 ARG 623 2HG ARG 623 -7.983 15.229 9.785 309 HD2 ARG 623 1HD ARG 623 -5.669 14.540 9.137 310 HD3 ARG 623 2HD ARG 623 -5.953 15.274 7.559 311 HE ARG 623 HE ARG 623 -6.435 17.024 9.800 312 HH11 ARG 623 1HH1 ARG 623 -4.053 15.872 7.490 313 HH12 ARG 623 2HH1 ARG 623 -3.031 17.266 7.688 314 HH21 ARG 623 1HH2 ARG 623 -5.085 18.834 10.047 315 HH22 ARG 623 2HH2 ARG 623 -3.619 18.947 9.125 316 H ARG 624 H ARG 624 -9.770 11.883 6.256 317 HA ARG 624 HA ARG 624 -9.056 9.380 7.323 318 HB2 ARG 624 1HB ARG 624 -11.381 10.268 6.626 319 HB3 ARG 624 2HB ARG 624 -10.957 9.701 5.018 320 HG2 ARG 624 1HG ARG 624 -10.633 7.440 5.917 321 HG3 ARG 624 2HG ARG 624 -11.114 8.022 7.512 322 HD2 ARG 624 1HD ARG 624 -12.785 7.847 5.015 323 HD3 ARG 624 2HD ARG 624 -13.026 7.009 6.546 324 HE ARG 624 HE ARG 624 -13.188 9.932 6.526 325 HH11 ARG 624 1HH1 ARG 624 -14.813 6.838 6.773 326 HH12 ARG 624 2HH1 ARG 624 -16.304 7.522 7.335 327 HH21 ARG 624 1HH2 ARG 624 -15.157 10.835 7.263 328 HH22 ARG 624 2HH2 ARG 624 -16.498 9.790 7.618 329 H MET 625 H MET 625 -8.782 10.727 4.047 330 HA MET 625 HA MET 625 -7.675 8.413 2.890 331 HB2 MET 625 1HB MET 625 -8.464 10.055 1.371 332 HB3 MET 625 2HB MET 625 -7.469 11.314 2.087 333 HG2 MET 625 1HG MET 625 -5.439 10.191 1.281 334 HG3 MET 625 2HG MET 625 -6.439 8.923 0.569 335 HE1 MET 625 3HE MET 625 -8.259 10.746 -2.327 336 HE2 MET 625 1HE MET 625 -8.873 10.467 -0.696 337 HE3 MET 625 2HE MET 625 -7.948 9.211 -1.517 338 H GLU 626 H GLU 626 -6.250 11.086 4.687 339 HA GLU 626 HA GLU 626 -3.556 10.520 4.081 340 HB2 GLU 626 1HB GLU 626 -4.738 11.886 6.504 341 HB3 GLU 626 2HB GLU 626 -3.039 11.912 6.052 342 HG2 GLU 626 1HG GLU 626 -3.677 13.014 3.924 343 HG3 GLU 626 2HG GLU 626 -5.337 13.093 4.511 344 H ASN 627 H ASN 627 -5.729 9.418 6.639 345 HA ASN 627 HA ASN 627 -3.872 7.949 8.156 346 HB2 ASN 627 1HB ASN 627 -6.830 7.559 7.692 347 HB3 ASN 627 2HB ASN 627 -5.897 6.489 8.731 348 HD21 ASN 627 1HD2 ASN 627 -5.201 9.904 8.528 349 HD22 ASN 627 2HD2 ASN 627 -5.775 10.310 10.106 350 H LEU 628 H LEU 628 -5.701 7.156 5.262 351 HA LEU 628 HA LEU 628 -4.927 4.391 5.197 352 HB2 LEU 628 1HB LEU 628 -6.541 4.297 3.667 353 HB3 LEU 628 2HB LEU 628 -6.703 6.043 3.726 354 HG LEU 628 HG LEU 628 -4.793 6.052 1.967 355 HD11 LEU 628 1HD1 LEU 628 -4.147 3.729 2.163 356 HD12 LEU 628 2HD1 LEU 628 -4.769 4.050 0.546 357 HD13 LEU 628 3HD1 LEU 628 -5.776 3.215 1.725 358 HD21 LEU 628 3HD2 LEU 628 -7.059 6.738 1.469 359 HD22 LEU 628 1HD2 LEU 628 -7.563 5.056 1.312 360 HD23 LEU 628 2HD2 LEU 628 -6.431 5.751 0.152 361 H VAL 629 H VAL 629 -3.646 7.381 3.814 362 HA VAL 629 HA VAL 629 -1.666 6.167 2.183 363 HB VAL 629 HB VAL 629 -1.655 8.921 3.443 364 HG11 VAL 629 1HG1 VAL 629 -0.039 7.811 1.151 365 HG12 VAL 629 2HG1 VAL 629 0.575 8.254 2.744 366 HG13 VAL 629 3HG1 VAL 629 -0.061 9.498 1.666 367 HG21 VAL 629 3HG2 VAL 629 -2.471 9.694 1.266 368 HG22 VAL 629 1HG2 VAL 629 -3.600 8.565 2.016 369 HG23 VAL 629 2HG2 VAL 629 -2.551 8.023 0.706 370 H ALA 630 H ALA 630 -1.668 7.405 5.499 371 HA ALA 630 HA ALA 630 1.001 6.807 6.123 372 HB1 ALA 630 3HB ALA 630 -1.438 7.020 7.883 373 HB2 ALA 630 1HB ALA 630 -0.220 8.251 7.571 374 HB3 ALA 630 2HB ALA 630 0.201 6.814 8.501 375 H TYR 631 H TYR 631 -1.944 4.871 6.246 376 HA TYR 631 HA TYR 631 -0.879 2.566 7.451 377 HB2 TYR 631 1HB TYR 631 -3.351 3.056 6.970 378 HB3 TYR 631 2HB TYR 631 -3.029 2.520 5.326 379 HD1 TYR 631 HD1 TYR 631 -2.739 1.424 8.865 380 HD2 TYR 631 HD2 TYR 631 -3.250 0.258 4.810 381 HE1 TYR 631 HE1 TYR 631 -3.152 -0.886 9.589 382 HE2 TYR 631 HE2 TYR 631 -3.656 -2.060 5.522 383 HH TYR 631 HH TYR 631 -3.177 -3.506 7.424 384 H ALA 632 H ALA 632 -0.919 3.642 4.076 385 HA ALA 632 HA ALA 632 0.140 1.295 2.921 386 HB1 ALA 632 3HB ALA 632 0.739 2.708 1.015 387 HB2 ALA 632 1HB ALA 632 0.433 4.151 1.981 388 HB3 ALA 632 2HB ALA 632 -0.895 3.062 1.575 389 H LYS 633 H LYS 633 1.719 4.187 4.277 390 HA LYS 633 HA LYS 633 4.368 3.381 3.775 391 HB2 LYS 633 1HB LYS 633 3.022 5.442 5.328 392 HB3 LYS 633 2HB LYS 633 4.443 4.832 6.153 393 HG2 LYS 633 1HG LYS 633 5.010 6.772 4.817 394 HG3 LYS 633 2HG LYS 633 5.795 5.330 4.160 395 HD2 LYS 633 1HD LYS 633 4.951 6.466 2.285 396 HD3 LYS 633 2HD LYS 633 3.800 5.162 2.586 397 HE2 LYS 633 1HE LYS 633 2.530 7.115 2.133 398 HE3 LYS 633 2HE LYS 633 2.410 6.812 3.863 399 HZ1 LYS 633 3HZ LYS 633 2.784 9.138 3.441 400 HZ2 LYS 633 1HZ LYS 633 4.182 8.799 2.555 401 HZ3 LYS 633 2HZ LYS 633 4.136 8.487 4.215 402 H LYS 634 H LYS 634 2.171 2.790 6.471 403 HA LYS 634 HA LYS 634 3.901 1.456 8.202 404 HB2 LYS 634 1HB LYS 634 1.577 2.123 8.746 405 HB3 LYS 634 2HB LYS 634 0.981 0.855 7.686 406 HG2 LYS 634 1HG LYS 634 1.963 -0.838 9.110 407 HG3 LYS 634 2HG LYS 634 2.651 0.411 10.149 408 HD2 LYS 634 1HD LYS 634 0.370 1.211 10.646 409 HD3 LYS 634 2HD LYS 634 -0.282 -0.105 9.667 410 HE2 LYS 634 1HE LYS 634 -0.355 -0.699 12.011 411 HE3 LYS 634 2HE LYS 634 0.798 -1.727 11.163 412 HZ1 LYS 634 3HZ LYS 634 2.593 -0.353 12.006 413 HZ2 LYS 634 1HZ LYS 634 1.668 -0.964 13.283 414 HZ3 LYS 634 2HZ LYS 634 1.488 0.646 12.806 415 H VAL 635 H VAL 635 1.875 0.138 5.592 416 HA VAL 635 HA VAL 635 2.758 -2.479 5.591 417 HB VAL 635 HB VAL 635 1.829 -0.677 3.376 418 HG11 VAL 635 1HG1 VAL 635 2.724 -3.538 3.059 419 HG12 VAL 635 2HG1 VAL 635 3.454 -2.124 2.302 420 HG13 VAL 635 3HG1 VAL 635 1.821 -2.621 1.857 421 HG21 VAL 635 3HG2 VAL 635 0.221 -1.608 5.007 422 HG22 VAL 635 1HG2 VAL 635 0.714 -3.232 4.527 423 HG23 VAL 635 2HG2 VAL 635 -0.076 -2.168 3.362 424 H GLU 636 H GLU 636 4.242 0.312 3.946 425 HA GLU 636 HA GLU 636 6.367 -0.982 2.721 426 HB2 GLU 636 1HB GLU 636 6.168 1.218 2.059 427 HB3 GLU 636 2HB GLU 636 5.815 1.787 3.683 428 HG2 GLU 636 1HG GLU 636 8.181 1.481 4.272 429 HG3 GLU 636 2HG GLU 636 8.511 1.013 2.605 430 H GLY 637 H GLY 637 6.106 0.351 6.003 431 HA2 GLY 637 1HA GLY 637 8.739 -0.200 6.837 432 HA3 GLY 637 2HA GLY 637 7.359 -0.008 7.906 433 H ASP 638 H ASP 638 5.783 -2.168 7.155 434 HA ASP 638 HA ASP 638 7.021 -4.275 8.552 435 HB2 ASP 638 1HB ASP 638 4.605 -4.015 8.513 436 HB3 ASP 638 2HB ASP 638 4.575 -4.335 6.780 437 H MET 639 H MET 639 6.520 -3.754 5.106 438 HA MET 639 HA MET 639 7.440 -6.281 4.246 439 HB2 MET 639 1HB MET 639 7.608 -3.663 2.714 440 HB3 MET 639 2HB MET 639 7.722 -5.279 2.024 441 HG2 MET 639 1HG MET 639 5.294 -4.119 3.388 442 HG3 MET 639 2HG MET 639 5.511 -4.248 1.638 443 HE1 MET 639 3HE MET 639 2.799 -6.946 2.256 444 HE2 MET 639 1HE MET 639 3.246 -5.462 1.412 445 HE3 MET 639 2HE MET 639 2.934 -5.433 3.152 446 H TYR 640 H TYR 640 9.123 -3.316 4.975 447 HA TYR 640 HA TYR 640 11.422 -3.620 3.556 448 HB2 TYR 640 1HB TYR 640 10.860 -1.609 4.929 449 HB3 TYR 640 2HB TYR 640 11.447 -2.472 6.349 450 HD1 TYR 640 HD2 TYR 640 12.764 -2.148 2.858 451 HD2 TYR 640 HD1 TYR 640 13.497 -1.526 7.012 452 HE1 TYR 640 HE2 TYR 640 15.055 -1.434 2.348 453 HE2 TYR 640 HE1 TYR 640 15.790 -0.819 6.501 454 HH TYR 640 HH TYR 640 17.467 -1.174 4.661 455 H GLU 641 H GLU 641 10.791 -5.333 6.624 456 HA GLU 641 HA GLU 641 13.527 -6.133 6.947 457 HB2 GLU 641 1HB GLU 641 10.963 -7.186 8.102 458 HB3 GLU 641 2HB GLU 641 12.487 -8.042 8.366 459 HG2 GLU 641 1HG GLU 641 12.297 -6.660 10.271 460 HG3 GLU 641 2HG GLU 641 13.334 -5.696 9.209 461 H SER 642 H SER 642 10.684 -7.845 5.701 462 HA SER 642 HA SER 642 12.086 -10.112 4.773 463 HB2 SER 642 1HB SER 642 9.583 -9.908 5.174 464 HB3 SER 642 2HB SER 642 9.494 -9.065 3.629 465 HG SER 642 HG SER 642 10.262 -11.738 4.146 466 H ALA 643 H ALA 643 11.138 -7.098 3.267 467 HA ALA 643 HA ALA 643 11.765 -7.485 0.618 468 HB1 ALA 643 3HB ALA 643 11.807 -5.097 0.430 469 HB2 ALA 643 1HB ALA 643 12.071 -4.935 2.163 470 HB3 ALA 643 2HB ALA 643 10.546 -5.582 1.564 471 H ASN 644 H ASN 644 14.062 -8.375 2.448 472 HA ASN 644 HA ASN 644 16.215 -6.557 1.834 473 HB2 ASN 644 1HB ASN 644 15.895 -8.280 3.852 474 HB3 ASN 644 2HB ASN 644 16.765 -9.352 2.757 475 HD21 ASN 644 1HD2 ASN 644 18.391 -7.264 1.563 476 HD22 ASN 644 2HD2 ASN 644 19.561 -6.797 2.753 477 H SER 645 H SER 645 14.662 -7.761 -0.394 478 HA SER 645 HA SER 645 16.858 -8.329 -2.135 479 HB2 SER 645 1HB SER 645 14.818 -10.511 -1.611 480 HB3 SER 645 2HB SER 645 15.953 -10.511 -2.959 481 HG SER 645 HG SER 645 17.093 -10.123 -0.473 482 H ARG 646 H ARG 646 16.260 -7.971 -4.333 483 HA ARG 646 HA ARG 646 14.274 -6.055 -4.671 484 HB2 ARG 646 1HB ARG 646 15.699 -7.771 -6.693 485 HB3 ARG 646 2HB ARG 646 14.570 -6.511 -7.159 486 HG2 ARG 646 1HG ARG 646 17.050 -6.066 -5.517 487 HG3 ARG 646 2HG ARG 646 16.930 -5.802 -7.256 488 HD2 ARG 646 1HD ARG 646 15.354 -4.377 -5.110 489 HD3 ARG 646 2HD ARG 646 16.678 -3.703 -6.060 490 HE ARG 646 HE ARG 646 14.376 -4.688 -7.542 491 HH11 ARG 646 1HH1 ARG 646 16.059 -1.931 -6.182 492 HH12 ARG 646 2HH1 ARG 646 15.225 -0.779 -7.181 493 HH21 ARG 646 1HH2 ARG 646 13.273 -3.168 -8.836 494 HH22 ARG 646 2HH2 ARG 646 13.638 -1.481 -8.677 495 H ASP 647 H ASP 647 14.149 -9.474 -5.665 496 HA ASP 647 HA ASP 647 11.619 -9.339 -6.886 497 HB2 ASP 647 1HB ASP 647 13.115 -11.203 -7.323 498 HB3 ASP 647 2HB ASP 647 13.037 -11.706 -5.637 499 H GLU 648 H GLU 648 12.580 -10.245 -3.624 500 HA GLU 648 HA GLU 648 10.116 -10.985 -2.576 501 HB2 GLU 648 1HB GLU 648 12.383 -11.145 -1.463 502 HB3 GLU 648 2HB GLU 648 12.239 -9.435 -1.087 503 HG2 GLU 648 1HG GLU 648 11.608 -10.649 0.846 504 HG3 GLU 648 2HG GLU 648 10.135 -9.966 0.157 505 H TYR 649 H TYR 649 11.630 -7.780 -2.693 506 HA TYR 649 HA TYR 649 9.688 -6.417 -1.226 507 HB2 TYR 649 1HB TYR 649 11.960 -5.522 -1.813 508 HB3 TYR 649 2HB TYR 649 11.361 -5.206 -3.439 509 HD1 TYR 649 HD2 TYR 649 9.567 -4.675 -0.214 510 HD2 TYR 649 HD1 TYR 649 11.453 -2.860 -3.575 511 HE1 TYR 649 HE2 TYR 649 8.737 -2.480 0.509 512 HE2 TYR 649 HE1 TYR 649 10.619 -0.663 -2.854 513 HH TYR 649 HH TYR 649 9.180 -0.155 0.229 514 H TYR 650 H TYR 650 9.916 -6.826 -4.785 515 HA TYR 650 HA TYR 650 7.651 -5.209 -5.304 516 HB2 TYR 650 1HB TYR 650 9.406 -5.772 -6.998 517 HB3 TYR 650 2HB TYR 650 8.783 -7.420 -7.035 518 HD1 TYR 650 HD1 TYR 650 8.159 -3.946 -7.989 519 HD2 TYR 650 HD2 TYR 650 6.636 -7.916 -8.090 520 HE1 TYR 650 HE1 TYR 650 6.500 -3.260 -9.670 521 HE2 TYR 650 HE2 TYR 650 4.977 -7.243 -9.775 522 HH TYR 650 HH TYR 650 5.136 -4.312 -11.447 523 H HIS 651 H HIS 651 8.118 -8.631 -4.648 524 HA HIS 651 HA HIS 651 5.575 -9.458 -5.638 525 HB2 HIS 651 1HB HIS 651 7.617 -10.943 -5.367 526 HB3 HIS 651 2HB HIS 651 7.286 -10.940 -3.637 527 HD1 HIS 651 HD1 HIS 651 5.799 -12.767 -2.845 528 HD2 HIS 651 HD2 HIS 651 5.307 -11.994 -6.899 529 HE1 HIS 651 HE1 HIS 651 4.170 -14.497 -3.672 530 HE2 HIS 651 HE2 HIS 651 4.006 -14.101 -6.156 531 H LEU 652 H LEU 652 6.890 -8.642 -2.470 532 HA LEU 652 HA LEU 652 4.753 -9.404 -0.861 533 HB2 LEU 652 1HB LEU 652 6.773 -7.188 -0.605 534 HB3 LEU 652 2HB LEU 652 5.584 -7.506 0.641 535 HG LEU 652 HG LEU 652 7.551 -9.583 -0.309 536 HD11 LEU 652 1HD1 LEU 652 7.764 -7.741 2.070 537 HD12 LEU 652 2HD1 LEU 652 8.749 -7.646 0.610 538 HD13 LEU 652 3HD1 LEU 652 8.868 -9.055 1.664 539 HD21 LEU 652 3HD2 LEU 652 6.980 -10.637 1.833 540 HD22 LEU 652 1HD2 LEU 652 5.566 -10.455 0.795 541 HD23 LEU 652 2HD2 LEU 652 5.816 -9.351 2.147 542 H LEU 653 H LEU 653 5.402 -6.213 -2.280 543 HA LEU 653 HA LEU 653 3.027 -5.030 -1.339 544 HB2 LEU 653 1HB LEU 653 4.904 -4.272 -3.573 545 HB3 LEU 653 2HB LEU 653 3.531 -3.285 -3.105 546 HG LEU 653 HG LEU 653 5.417 -4.059 -0.945 547 HD11 LEU 653 1HD1 LEU 653 6.949 -2.256 -1.506 548 HD12 LEU 653 2HD1 LEU 653 6.066 -1.956 -3.000 549 HD13 LEU 653 3HD1 LEU 653 6.929 -3.476 -2.778 550 HD21 LEU 653 3HD2 LEU 653 4.887 -1.848 -0.141 551 HD22 LEU 653 1HD2 LEU 653 3.392 -2.680 -0.570 552 HD23 LEU 653 2HD2 LEU 653 4.064 -1.456 -1.652 553 H ALA 654 H ALA 654 3.838 -6.382 -4.549 554 HA ALA 654 HA ALA 654 1.408 -5.735 -5.786 555 HB1 ALA 654 3HB ALA 654 3.249 -8.033 -6.425 556 HB2 ALA 654 1HB ALA 654 3.437 -6.377 -7.001 557 HB3 ALA 654 2HB ALA 654 2.039 -7.331 -7.498 558 H GLU 655 H GLU 655 2.406 -8.719 -4.148 559 HA GLU 655 HA GLU 655 0.122 -10.248 -4.651 560 HB2 GLU 655 1HB GLU 655 1.840 -11.518 -3.739 561 HB3 GLU 655 2HB GLU 655 2.210 -10.310 -2.507 562 HG2 GLU 655 1HG GLU 655 0.127 -10.935 -1.342 563 HG3 GLU 655 2HG GLU 655 -0.141 -12.188 -2.552 564 H LYS 656 H LYS 656 0.802 -8.061 -1.948 565 HA LYS 656 HA LYS 656 -1.614 -8.560 -0.583 566 HB2 LYS 656 1HB LYS 656 0.098 -6.072 -0.491 567 HB3 LYS 656 2HB LYS 656 -1.144 -6.509 0.673 568 HG2 LYS 656 1HG LYS 656 1.485 -7.877 0.179 569 HG3 LYS 656 2HG LYS 656 0.942 -7.051 1.639 570 HD2 LYS 656 1HD LYS 656 -0.793 -8.771 1.941 571 HD3 LYS 656 2HD LYS 656 -0.193 -9.608 0.509 572 HE2 LYS 656 1HE LYS 656 1.396 -9.066 3.014 573 HE3 LYS 656 2HE LYS 656 0.647 -10.603 2.597 574 HZ1 LYS 656 3HZ LYS 656 3.049 -10.456 2.088 575 HZ2 LYS 656 1HZ LYS 656 2.707 -9.267 0.936 576 HZ3 LYS 656 2HZ LYS 656 2.098 -10.837 0.737 577 H ILE 657 H ILE 657 -0.719 -6.196 -3.055 578 HA ILE 657 HA ILE 657 -3.044 -4.634 -2.986 579 HB ILE 657 HB ILE 657 -1.158 -5.278 -5.272 580 HG12 ILE 657 1HG1 ILE 657 -1.496 -2.804 -3.554 581 HG13 ILE 657 2HG1 ILE 657 -0.225 -4.006 -3.366 582 HG21 ILE 657 1HG2 ILE 657 -2.158 -3.385 -6.470 583 HG22 ILE 657 2HG2 ILE 657 -3.376 -3.232 -5.206 584 HG23 ILE 657 3HG2 ILE 657 -3.325 -4.680 -6.208 585 HD11 ILE 657 3HD1 ILE 657 0.647 -3.443 -5.564 586 HD12 ILE 657 1HD1 ILE 657 0.569 -2.019 -4.526 587 HD13 ILE 657 2HD1 ILE 657 -0.646 -2.262 -5.783 588 H TYR 658 H TYR 658 -2.281 -7.575 -4.834 589 HA TYR 658 HA TYR 658 -4.741 -7.652 -6.246 590 HB2 TYR 658 1HB TYR 658 -2.497 -9.004 -6.657 591 HB3 TYR 658 2HB TYR 658 -3.278 -10.197 -5.625 592 HD1 TYR 658 HD1 TYR 658 -4.575 -7.962 -8.338 593 HD2 TYR 658 HD2 TYR 658 -4.034 -11.966 -6.974 594 HE1 TYR 658 HE1 TYR 658 -5.797 -8.796 -10.295 595 HE2 TYR 658 HE2 TYR 658 -5.260 -12.797 -8.927 596 HH TYR 658 HH TYR 658 -5.939 -10.904 -11.624 597 H LYS 659 H LYS 659 -3.667 -9.074 -3.182 598 HA LYS 659 HA LYS 659 -5.918 -10.536 -2.512 599 HB2 LYS 659 1HB LYS 659 -3.724 -10.502 -1.306 600 HB3 LYS 659 2HB LYS 659 -4.149 -8.922 -0.663 601 HG2 LYS 659 1HG LYS 659 -4.581 -10.593 0.995 602 HG3 LYS 659 2HG LYS 659 -6.119 -9.938 0.424 603 HD2 LYS 659 1HD LYS 659 -6.410 -12.263 0.510 604 HD3 LYS 659 2HD LYS 659 -6.191 -11.890 -1.186 605 HE2 LYS 659 1HE LYS 659 -4.888 -13.810 -0.758 606 HE3 LYS 659 2HE LYS 659 -3.763 -12.460 -0.877 607 HZ1 LYS 659 3HZ LYS 659 -4.752 -13.676 1.640 608 HZ2 LYS 659 1HZ LYS 659 -3.692 -12.365 1.538 609 HZ3 LYS 659 2HZ LYS 659 -3.214 -13.886 0.977 610 H ILE 660 H ILE 660 -5.129 -7.159 -1.886 611 HA ILE 660 HA ILE 660 -7.418 -6.520 -0.368 612 HB ILE 660 HB ILE 660 -5.590 -4.730 -1.977 613 HG12 ILE 660 1HG1 ILE 660 -5.702 -5.125 1.010 614 HG13 ILE 660 2HG1 ILE 660 -4.651 -6.075 -0.035 615 HG21 ILE 660 1HG2 ILE 660 -7.734 -3.647 -1.675 616 HG22 ILE 660 2HG2 ILE 660 -6.499 -2.876 -0.679 617 HG23 ILE 660 3HG2 ILE 660 -7.669 -3.972 0.058 618 HD11 ILE 660 3HD1 ILE 660 -4.578 -3.078 0.229 619 HD12 ILE 660 1HD1 ILE 660 -3.478 -4.070 -0.725 620 HD13 ILE 660 2HD1 ILE 660 -3.485 -4.202 1.034 621 H GLN 661 H GLN 661 -6.715 -6.283 -3.809 622 HA GLN 661 HA GLN 661 -9.081 -4.883 -4.521 623 HB2 GLN 661 1HB GLN 661 -7.224 -6.595 -6.201 624 HB3 GLN 661 2HB GLN 661 -8.599 -5.727 -6.856 625 HG2 GLN 661 1HG GLN 661 -7.630 -3.595 -6.239 626 HG3 GLN 661 2HG GLN 661 -6.321 -4.398 -5.380 627 HE21 GLN 661 1HE2 GLN 661 -6.280 -2.503 -7.616 628 HE22 GLN 661 2HE2 GLN 661 -5.382 -3.282 -8.872 629 H LYS 662 H LYS 662 -8.264 -8.288 -4.252 630 HA LYS 662 HA LYS 662 -10.635 -9.306 -5.417 631 HB2 LYS 662 1HB LYS 662 -8.648 -10.690 -5.203 632 HB3 LYS 662 2HB LYS 662 -8.705 -10.551 -3.454 633 HG2 LYS 662 1HG LYS 662 -10.761 -11.825 -3.383 634 HG3 LYS 662 2HG LYS 662 -10.808 -11.889 -5.147 635 HD2 LYS 662 1HD LYS 662 -8.713 -13.145 -5.163 636 HD3 LYS 662 2HD LYS 662 -8.641 -13.061 -3.405 637 HE2 LYS 662 1HE LYS 662 -10.881 -14.362 -4.943 638 HE3 LYS 662 2HE LYS 662 -9.481 -15.231 -4.326 639 HZ1 LYS 662 3HZ LYS 662 -11.214 -15.489 -2.766 640 HZ2 LYS 662 1HZ LYS 662 -11.577 -13.837 -2.755 641 HZ3 LYS 662 2HZ LYS 662 -10.130 -14.390 -2.078 642 H GLU 663 H GLU 663 -9.692 -8.458 -2.135 643 HA GLU 663 HA GLU 663 -11.841 -9.550 -0.730 644 HB2 GLU 663 1HB GLU 663 -10.161 -7.106 -0.161 645 HB3 GLU 663 2HB GLU 663 -11.345 -7.740 0.969 646 HG2 GLU 663 1HG GLU 663 -8.932 -9.218 -0.059 647 HG3 GLU 663 2HG GLU 663 -9.088 -8.460 1.523 648 H LEU 664 H LEU 664 -11.472 -6.309 -2.113 649 HA LEU 664 HA LEU 664 -13.906 -5.259 -1.225 650 HB2 LEU 664 1HB LEU 664 -12.403 -4.532 -3.740 651 HB3 LEU 664 2HB LEU 664 -13.628 -3.553 -2.955 652 HG LEU 664 HG LEU 664 -10.942 -4.276 -1.788 653 HD11 LEU 664 1HD1 LEU 664 -12.024 -1.694 -2.901 654 HD12 LEU 664 2HD1 LEU 664 -10.731 -2.681 -3.586 655 HD13 LEU 664 3HD1 LEU 664 -10.497 -1.868 -2.039 656 HD21 LEU 664 3HD2 LEU 664 -13.110 -2.477 -0.719 657 HD22 LEU 664 1HD2 LEU 664 -11.531 -2.761 0.009 658 HD23 LEU 664 2HD2 LEU 664 -12.701 -4.073 -0.091 659 H GLU 665 H GLU 665 -13.119 -6.819 -4.333 660 HA GLU 665 HA GLU 665 -15.706 -6.469 -5.417 661 HB2 GLU 665 1HB GLU 665 -13.608 -8.517 -6.142 662 HB3 GLU 665 2HB GLU 665 -15.010 -8.095 -7.116 663 HG2 GLU 665 1HG GLU 665 -12.619 -6.399 -6.478 664 HG3 GLU 665 2HG GLU 665 -13.160 -6.976 -8.054 665 H GLU 666 H GLU 666 -14.143 -9.124 -3.706 666 HA GLU 666 HA GLU 666 -16.150 -11.038 -4.040 667 HB2 GLU 666 1HB GLU 666 -13.894 -11.580 -3.288 668 HB3 GLU 666 2HB GLU 666 -14.170 -10.711 -1.786 669 HG2 GLU 666 1HG GLU 666 -15.885 -12.307 -1.154 670 HG3 GLU 666 2HG GLU 666 -15.660 -13.168 -2.677 671 H LYS 667 H LYS 667 -15.608 -8.803 -1.292 672 HA LYS 667 HA LYS 667 -17.861 -9.761 0.117 673 HB2 LYS 667 1HB LYS 667 -17.549 -8.038 1.683 674 HB3 LYS 667 2HB LYS 667 -15.947 -8.504 1.145 675 HG2 LYS 667 1HG LYS 667 -15.740 -6.531 -0.179 676 HG3 LYS 667 2HG LYS 667 -17.433 -6.101 0.110 677 HD2 LYS 667 1HD LYS 667 -16.908 -6.007 2.553 678 HD3 LYS 667 2HD LYS 667 -15.211 -6.230 2.142 679 HE2 LYS 667 1HE LYS 667 -15.280 -4.162 0.813 680 HE3 LYS 667 2HE LYS 667 -16.969 -3.941 1.275 681 HZ1 LYS 667 3HZ LYS 667 -15.446 -2.632 2.650 682 HZ2 LYS 667 1HZ LYS 667 -14.697 -4.053 3.181 683 HZ3 LYS 667 2HZ LYS 667 -16.315 -3.750 3.571 684 H ARG 668 H ARG 668 -17.488 -7.132 -2.218 685 HA ARG 668 HA ARG 668 -20.007 -6.007 -1.788 686 HB2 ARG 668 1HB ARG 668 -18.284 -4.717 -2.882 687 HB3 ARG 668 2HB ARG 668 -18.211 -5.878 -4.196 688 HG2 ARG 668 1HG ARG 668 -20.298 -5.205 -5.047 689 HG3 ARG 668 2HG ARG 668 -20.701 -4.322 -3.575 690 HD2 ARG 668 1HD ARG 668 -20.088 -2.817 -5.408 691 HD3 ARG 668 2HD ARG 668 -18.976 -2.688 -4.050 692 HE ARG 668 HE ARG 668 -17.994 -4.532 -5.966 693 HH11 ARG 668 1HH1 ARG 668 -18.429 -1.105 -5.401 694 HH12 ARG 668 2HH1 ARG 668 -17.097 -0.636 -6.411 695 HH21 ARG 668 1HH2 ARG 668 -16.226 -3.915 -7.314 696 HH22 ARG 668 2HH2 ARG 668 -15.864 -2.223 -7.503 697 H ARG 669 H ARG 669 -19.100 -8.816 -3.224 698 HA ARG 669 HA ARG 669 -21.143 -9.224 -5.132 699 HB2 ARG 669 1HB ARG 669 -19.144 -10.637 -5.002 700 HB3 ARG 669 2HB ARG 669 -19.650 -11.215 -3.421 701 HG2 ARG 669 1HG ARG 669 -21.586 -12.294 -4.414 702 HG3 ARG 669 2HG ARG 669 -21.126 -11.680 -6.004 703 HD2 ARG 669 1HD ARG 669 -19.428 -13.502 -4.304 704 HD3 ARG 669 2HD ARG 669 -20.460 -14.039 -5.627 705 HE ARG 669 HE ARG 669 -18.927 -12.226 -6.854 706 HH11 ARG 669 1HH1 ARG 669 -18.069 -14.828 -4.672 707 HH12 ARG 669 2HH1 ARG 669 -16.531 -15.117 -5.421 708 HH21 ARG 669 1HH2 ARG 669 -16.907 -12.621 -7.851 709 HH22 ARG 669 2HH2 ARG 669 -15.877 -13.874 -7.230 710 H SER 670 H SER 670 -21.004 -9.455 -1.671 711 HA SER 670 HA SER 670 -23.557 -10.836 -1.485 712 HB2 SER 670 1HB SER 670 -21.693 -11.496 -0.002 713 HB3 SER 670 2HB SER 670 -21.679 -9.877 0.690 714 HG SER 670 HG SER 670 -23.923 -10.305 1.286 715 H ARG 671 H ARG 671 -22.855 -7.793 -2.185 716 HA ARG 671 HA ARG 671 -24.138 -6.154 -0.368 717 HB2 ARG 671 1HB ARG 671 -24.403 -4.553 -2.124 718 HB3 ARG 671 2HB ARG 671 -22.887 -5.395 -2.399 719 HG2 ARG 671 1HG ARG 671 -24.136 -6.850 -4.039 720 HG3 ARG 671 2HG ARG 671 -25.479 -5.715 -3.882 721 HD2 ARG 671 1HD ARG 671 -22.683 -5.093 -4.826 722 HD3 ARG 671 2HD ARG 671 -24.140 -5.144 -5.814 723 HE ARG 671 HE ARG 671 -24.616 -3.272 -3.831 724 HH11 ARG 671 1HH1 ARG 671 -22.334 -3.723 -6.437 725 HH12 ARG 671 2HH1 ARG 671 -22.093 -2.026 -6.702 726 HH21 ARG 671 1HH2 ARG 671 -24.313 -1.029 -4.173 727 HH22 ARG 671 2HH2 ARG 671 -23.226 -0.489 -5.412 728 H LEU 672 H LEU 672 -26.263 -5.150 -0.486 729 HA LEU 672 HA LEU 672 -28.538 -5.285 -0.277 730 HB2 LEU 672 1HB LEU 672 -28.136 -7.249 -2.506 731 HB3 LEU 672 2HB LEU 672 -29.726 -6.969 -1.823 732 HG LEU 672 HG LEU 672 -27.996 -4.862 -3.133 733 HD11 LEU 672 1HD1 LEU 672 -29.618 -4.970 -4.958 734 HD12 LEU 672 2HD1 LEU 672 -30.435 -6.309 -4.154 735 HD13 LEU 672 3HD1 LEU 672 -28.786 -6.509 -4.742 736 HD21 LEU 672 3HD2 LEU 672 -29.439 -3.876 -1.478 737 HD22 LEU 672 1HD2 LEU 672 -30.823 -4.789 -2.084 738 HD23 LEU 672 2HD2 LEU 672 -30.088 -3.534 -3.080 739 H1 ASP 840 1H ASP 840 2.368 -7.923 13.754 740 HA ASP 840 HA ASP 840 0.848 -8.444 11.298 741 HB2 ASP 840 1HB ASP 840 -0.186 -8.328 14.138 742 HB3 ASP 840 2HB ASP 840 -1.242 -8.084 12.747 743 H ALA 841 H ALA 841 1.895 -6.524 10.523 744 HA ALA 841 HA ALA 841 1.117 -4.002 11.728 745 HB1 ALA 841 3HB ALA 841 3.328 -4.227 10.688 746 HB2 ALA 841 1HB ALA 841 2.366 -2.972 9.905 747 HB3 ALA 841 2HB ALA 841 2.558 -4.546 9.133 748 H GLY 842 H GLY 842 -0.207 -6.269 9.677 749 HA2 GLY 842 1HA GLY 842 -2.397 -6.213 8.900 750 HA3 GLY 842 2HA GLY 842 -2.373 -4.454 8.973 751 H ASN 843 H ASN 843 -0.873 -7.167 7.310 752 HA ASN 843 HA ASN 843 -0.121 -5.705 4.995 753 HB2 ASN 843 1HB ASN 843 -0.616 -8.672 5.331 754 HB3 ASN 843 2HB ASN 843 0.135 -7.929 3.926 755 HD21 ASN 843 1HD2 ASN 843 1.569 -5.971 5.642 756 HD22 ASN 843 2HD2 ASN 843 2.875 -6.859 6.348 757 H ILE 844 H ILE 844 -3.029 -7.316 5.994 758 HA ILE 844 HA ILE 844 -4.320 -6.566 3.456 759 HB ILE 844 HB ILE 844 -5.646 -8.322 5.519 760 HG12 ILE 844 1HG1 ILE 844 -3.734 -9.254 3.356 761 HG13 ILE 844 2HG1 ILE 844 -3.463 -9.371 5.090 762 HG21 ILE 844 1HG2 ILE 844 -5.849 -8.152 2.512 763 HG22 ILE 844 2HG2 ILE 844 -6.981 -7.443 3.664 764 HG23 ILE 844 3HG2 ILE 844 -6.813 -9.196 3.551 765 HD11 ILE 844 3HD1 ILE 844 -5.605 -10.801 3.528 766 HD12 ILE 844 1HD1 ILE 844 -5.360 -10.912 5.272 767 HD13 ILE 844 2HD1 ILE 844 -4.123 -11.512 4.167 768 H LEU 845 H LEU 845 -6.154 -5.203 3.554 769 HA LEU 845 HA LEU 845 -6.016 -3.375 5.757 770 HB2 LEU 845 1HB LEU 845 -7.627 -3.447 3.227 771 HB3 LEU 845 2HB LEU 845 -7.833 -2.190 4.432 772 HG LEU 845 HG LEU 845 -5.048 -2.572 3.631 773 HD11 LEU 845 1HD1 LEU 845 -7.055 -1.599 1.612 774 HD12 LEU 845 2HD1 LEU 845 -6.137 -3.103 1.504 775 HD13 LEU 845 3HD1 LEU 845 -5.302 -1.549 1.445 776 HD21 LEU 845 3HD2 LEU 845 -5.848 -0.708 4.998 777 HD22 LEU 845 1HD2 LEU 845 -6.898 -0.191 3.679 778 HD23 LEU 845 2HD2 LEU 845 -5.147 -0.139 3.484 779 HA PRO 846 HA PRO 846 -9.326 -5.050 8.205 780 HB2 PRO 846 1HB PRO 846 -9.515 -2.311 9.282 781 HB3 PRO 846 2HB PRO 846 -9.170 -3.826 10.120 782 HG2 PRO 846 1HG PRO 846 -7.270 -1.982 9.704 783 HG3 PRO 846 2HG PRO 846 -6.913 -3.718 9.664 784 HD2 PRO 846 1HD PRO 846 -7.274 -1.801 7.397 785 HD3 PRO 846 2HD PRO 846 -6.113 -3.132 7.580 786 H SER 847 H SER 847 -11.615 -4.542 8.697 787 HA SER 847 HA SER 847 -12.969 -4.257 6.300 788 HB2 SER 847 1HB SER 847 -14.093 -3.941 9.089 789 HB3 SER 847 2HB SER 847 -15.009 -4.338 7.635 790 HG SER 847 HG SER 847 -14.122 -6.314 7.583 791 H ASP 848 H ASP 848 -12.670 -1.887 8.931 792 HA ASP 848 HA ASP 848 -14.572 -0.067 8.010 793 HB2 ASP 848 1HB ASP 848 -13.572 -0.067 10.288 794 HB3 ASP 848 2HB ASP 848 -12.098 0.613 9.605 795 H ILE 849 H ILE 849 -11.069 -0.121 7.366 796 HA ILE 849 HA ILE 849 -11.017 2.291 5.880 797 HB ILE 849 HB ILE 849 -9.136 -0.048 5.476 798 HG12 ILE 849 1HG1 ILE 849 -9.310 0.528 7.888 799 HG13 ILE 849 2HG1 ILE 849 -7.723 0.895 7.224 800 HG21 ILE 849 1HG2 ILE 849 -8.946 1.727 3.809 801 HG22 ILE 849 2HG2 ILE 849 -7.528 1.725 4.862 802 HG23 ILE 849 3HG2 ILE 849 -8.791 2.936 5.086 803 HD11 ILE 849 3HD1 ILE 849 -8.303 3.255 7.109 804 HD12 ILE 849 1HD1 ILE 849 -8.502 2.631 8.745 805 HD13 ILE 849 2HD1 ILE 849 -9.916 2.898 7.727 806 H MET 850 H MET 850 -11.449 -1.084 4.997 807 HA MET 850 HA MET 850 -11.504 -0.731 2.202 808 HB2 MET 850 1HB MET 850 -12.760 -2.891 3.907 809 HB3 MET 850 2HB MET 850 -12.569 -2.983 2.163 810 HG2 MET 850 1HG MET 850 -10.183 -2.551 3.905 811 HG3 MET 850 2HG MET 850 -10.875 -4.160 3.743 812 HE1 MET 850 3HE MET 850 -8.749 -1.758 0.432 813 HE2 MET 850 1HE MET 850 -9.196 -1.159 2.027 814 HE3 MET 850 2HE MET 850 -10.421 -1.328 0.766 815 H ASP 851 H ASP 851 -14.019 -0.688 4.657 816 HA ASP 851 HA ASP 851 -16.263 -0.596 3.000 817 HB2 ASP 851 1HB ASP 851 -15.762 0.566 5.759 818 HB3 ASP 851 2HB ASP 851 -17.325 0.708 4.951 819 H PHE 852 H PHE 852 -14.038 1.971 3.929 820 HA PHE 852 HA PHE 852 -15.584 4.189 3.311 821 HB2 PHE 852 1HB PHE 852 -13.398 4.301 4.453 822 HB3 PHE 852 2HB PHE 852 -12.594 3.898 2.942 823 HD1 PHE 852 HD1 PHE 852 -15.445 6.232 3.435 824 HD2 PHE 852 HD2 PHE 852 -11.297 5.814 2.555 825 HE1 PHE 852 HE1 PHE 852 -15.325 8.620 2.864 826 HE2 PHE 852 HE2 PHE 852 -11.176 8.197 1.980 827 HZ PHE 852 HZ PHE 852 -13.189 9.605 2.135 828 H VAL 853 H VAL 853 -13.387 2.392 1.112 829 HA VAL 853 HA VAL 853 -13.973 4.019 -1.121 830 HB VAL 853 HB VAL 853 -11.965 2.694 -1.200 831 HG11 VAL 853 1HG1 VAL 853 -13.727 0.251 -1.225 832 HG12 VAL 853 2HG1 VAL 853 -12.686 0.759 0.102 833 HG13 VAL 853 3HG1 VAL 853 -11.978 0.268 -1.436 834 HG21 VAL 853 3HG2 VAL 853 -13.012 3.243 -3.334 835 HG22 VAL 853 1HG2 VAL 853 -13.937 1.743 -3.275 836 HG23 VAL 853 2HG2 VAL 853 -12.182 1.688 -3.422 837 H LEU 854 H LEU 854 -15.447 1.047 0.075 838 HA LEU 854 HA LEU 854 -17.172 0.605 -2.107 839 HB2 LEU 854 1HB LEU 854 -17.173 -0.260 0.755 840 HB3 LEU 854 2HB LEU 854 -18.606 -0.528 -0.210 841 HG LEU 854 HG LEU 854 -17.047 -2.489 -0.014 842 HD11 LEU 854 1HD1 LEU 854 -17.529 -1.515 -2.825 843 HD12 LEU 854 2HD1 LEU 854 -18.707 -2.346 -1.809 844 HD13 LEU 854 3HD1 LEU 854 -17.238 -3.174 -2.319 845 HD21 LEU 854 3HD2 LEU 854 -15.059 -2.538 -1.402 846 HD22 LEU 854 1HD2 LEU 854 -14.935 -1.286 -0.166 847 HD23 LEU 854 2HD2 LEU 854 -15.305 -0.847 -1.834 848 H LYS 855 H LYS 855 -17.486 2.557 0.811 849 HA LYS 855 HA LYS 855 -20.250 3.208 0.336 850 HB2 LYS 855 1HB LYS 855 -19.342 3.295 2.595 851 HB3 LYS 855 2HB LYS 855 -18.201 4.541 2.119 852 HG2 LYS 855 1HG LYS 855 -20.077 6.078 1.692 853 HG3 LYS 855 2HG LYS 855 -21.221 4.842 2.224 854 HD2 LYS 855 1HD LYS 855 -19.016 6.038 3.908 855 HD3 LYS 855 2HD LYS 855 -20.724 6.470 3.992 856 HE2 LYS 855 1HE LYS 855 -19.561 3.742 4.550 857 HE3 LYS 855 2HE LYS 855 -20.100 4.900 5.762 858 HZ1 LYS 855 3HZ LYS 855 -21.820 3.613 3.712 859 HZ2 LYS 855 1HZ LYS 855 -22.343 4.737 4.864 860 HZ3 LYS 855 2HZ LYS 855 -21.775 3.224 5.355 861 H ASN 856 H ASN 856 -17.236 4.473 -0.808 862 HA ASN 856 HA ASN 856 -18.463 6.994 -1.638 863 HB2 ASN 856 1HB ASN 856 -16.189 7.002 -0.624 864 HB3 ASN 856 2HB ASN 856 -15.607 6.047 -1.983 865 HD21 ASN 856 1HD2 ASN 856 -15.436 7.016 -4.020 866 HD22 ASN 856 2HD2 ASN 856 -15.436 8.735 -4.214 867 H THR 857 H THR 857 -19.191 7.340 -3.627 868 HA THR 857 HA THR 857 -18.063 5.875 -5.873 869 HB THR 857 HB THR 857 -21.049 5.985 -5.399 870 HG1 THR 857 HG1 THR 857 -19.145 4.220 -4.560 871 HG21 THR 857 1HG2 THR 857 -20.410 6.020 -7.769 872 HG22 THR 857 2HG2 THR 857 -21.177 4.493 -7.335 873 HG23 THR 857 3HG2 THR 857 -19.426 4.577 -7.525 874 HA PRO 858 HA PRO 858 -18.149 10.234 -7.023 875 HB2 PRO 858 1HB PRO 858 -17.057 9.095 -9.535 876 HB3 PRO 858 2HB PRO 858 -16.418 10.385 -8.511 877 HG2 PRO 858 1HG PRO 858 -15.292 7.969 -8.537 878 HG3 PRO 858 2HG PRO 858 -15.426 8.902 -7.035 879 HD2 PRO 858 1HD PRO 858 -17.060 6.585 -7.984 880 HD3 PRO 858 2HD PRO 858 -16.481 6.965 -6.348 Start of MODEL 2 1 H1 GLY 586 1H GLY 586 34.194 -2.888 -2.930 2 HA2 GLY 586 1HA GLY 586 31.909 -3.228 -2.466 3 HA3 GLY 586 2HA GLY 586 32.308 -4.785 -1.754 4 H VAL 587 H VAL 587 30.747 -2.417 -0.784 5 HA VAL 587 HA VAL 587 32.285 -1.770 1.636 6 HB VAL 587 HB VAL 587 30.626 -0.014 2.046 7 HG11 VAL 587 1HG1 VAL 587 31.753 0.057 -0.748 8 HG12 VAL 587 2HG1 VAL 587 32.590 0.537 0.728 9 HG13 VAL 587 3HG1 VAL 587 31.192 1.455 0.170 10 HG21 VAL 587 3HG2 VAL 587 28.678 -1.099 1.043 11 HG22 VAL 587 1HG2 VAL 587 29.382 -0.885 -0.559 12 HG23 VAL 587 2HG2 VAL 587 28.914 0.523 0.393 13 H ARG 588 H ARG 588 31.116 -1.833 3.713 14 HA ARG 588 HA ARG 588 29.444 -4.235 3.783 15 HB2 ARG 588 1HB ARG 588 29.999 -4.407 6.141 16 HB3 ARG 588 2HB ARG 588 31.472 -4.200 5.212 17 HG2 ARG 588 1HG ARG 588 31.840 -2.833 7.023 18 HG3 ARG 588 2HG ARG 588 31.219 -1.693 5.836 19 HD2 ARG 588 1HD ARG 588 28.983 -1.887 6.847 20 HD3 ARG 588 2HD ARG 588 29.640 -2.993 8.053 21 HE ARG 588 HE ARG 588 31.128 -0.616 8.088 22 HH11 ARG 588 1HH1 ARG 588 27.933 -1.780 8.911 23 HH12 ARG 588 2HH1 ARG 588 27.692 -0.606 10.164 24 HH21 ARG 588 1HH2 ARG 588 30.819 0.928 9.737 25 HH22 ARG 588 2HH2 ARG 588 29.333 0.937 10.632 26 H LYS 589 H LYS 589 29.029 -0.991 3.670 27 HA LYS 589 HA LYS 589 26.510 -1.155 5.169 28 HB2 LYS 589 1HB LYS 589 27.813 0.374 6.385 29 HB3 LYS 589 2HB LYS 589 28.484 1.096 4.924 30 HG2 LYS 589 1HG LYS 589 26.346 2.138 4.443 31 HG3 LYS 589 2HG LYS 589 25.624 1.341 5.843 32 HD2 LYS 589 1HD LYS 589 27.908 3.311 5.955 33 HD3 LYS 589 2HD LYS 589 26.218 3.699 6.281 34 HE2 LYS 589 1HE LYS 589 26.237 2.032 8.114 35 HE3 LYS 589 2HE LYS 589 27.955 1.774 7.821 36 HZ1 LYS 589 3HZ LYS 589 28.350 4.103 8.345 37 HZ2 LYS 589 1HZ LYS 589 27.601 3.308 9.637 38 HZ3 LYS 589 2HZ LYS 589 26.700 4.332 8.642 39 H GLY 590 H GLY 590 25.099 -1.575 3.618 40 HA2 GLY 590 1HA GLY 590 24.492 0.415 1.684 41 HA3 GLY 590 2HA GLY 590 25.137 -1.055 0.963 42 H TRP 591 H TRP 591 22.698 0.097 3.221 43 HA TRP 591 HA TRP 591 21.121 -2.318 2.946 44 HB2 TRP 591 1HB TRP 591 19.704 -0.075 4.129 45 HB3 TRP 591 2HB TRP 591 20.085 -1.638 4.831 46 HD1 TRP 591 HD1 TRP 591 21.956 -1.693 6.643 47 HE1 TRP 591 HE1 TRP 591 23.396 0.119 7.771 48 HE3 TRP 591 HE3 TRP 591 21.020 2.203 3.466 49 HZ2 TRP 591 HZ2 TRP 591 24.113 2.817 7.318 50 HZ3 TRP 591 HZ3 TRP 591 22.127 4.355 3.878 51 HH2 TRP 591 HH2 TRP 591 23.640 4.655 5.768 52 H HIS 592 H HIS 592 20.420 1.122 2.439 53 HA HIS 592 HA HIS 592 18.017 0.490 1.000 54 HB2 HIS 592 1HB HIS 592 19.296 2.987 1.996 55 HB3 HIS 592 2HB HIS 592 18.129 3.133 0.685 56 HD1 HIS 592 HD1 HIS 592 18.320 3.140 4.266 57 HD2 HIS 592 HD2 HIS 592 15.549 1.826 1.455 58 HE1 HIS 592 HE1 HIS 592 16.141 2.958 5.500 59 HE2 HIS 592 HE2 HIS 592 14.483 2.137 3.796 60 H GLU 593 H GLU 593 21.246 0.783 -0.040 61 HA GLU 593 HA GLU 593 21.045 2.577 -2.132 62 HB2 GLU 593 1HB GLU 593 23.121 1.365 -2.937 63 HB3 GLU 593 2HB GLU 593 23.153 2.028 -1.308 64 HG2 GLU 593 1HG GLU 593 23.905 0.045 -0.698 65 HG3 GLU 593 2HG GLU 593 22.239 -0.486 -0.857 66 H HIS 594 H HIS 594 20.767 -1.002 -2.301 67 HA HIS 594 HA HIS 594 20.296 -1.054 -5.062 68 HB2 HIS 594 1HB HIS 594 19.563 -3.350 -4.804 69 HB3 HIS 594 2HB HIS 594 20.980 -3.060 -3.797 70 HD1 HIS 594 HD1 HIS 594 18.853 -5.361 -3.383 71 HD2 HIS 594 HD2 HIS 594 19.020 -1.793 -1.261 72 HE1 HIS 594 HE1 HIS 594 17.647 -5.803 -1.221 73 HE2 HIS 594 HE2 HIS 594 17.962 -3.699 0.126 74 H VAL 595 H VAL 595 18.347 0.550 -3.079 75 HA VAL 595 HA VAL 595 16.092 0.169 -4.911 76 HB VAL 595 HB VAL 595 15.801 0.393 -1.900 77 HG11 VAL 595 1HG1 VAL 595 13.362 0.220 -2.354 78 HG12 VAL 595 2HG1 VAL 595 13.708 0.416 -4.073 79 HG13 VAL 595 3HG1 VAL 595 14.089 1.713 -2.944 80 HG21 VAL 595 3HG2 VAL 595 16.346 -1.870 -2.608 81 HG22 VAL 595 1HG2 VAL 595 15.033 -1.834 -3.785 82 HG23 VAL 595 2HG2 VAL 595 14.672 -1.780 -2.059 83 H THR 596 H THR 596 15.309 2.106 -5.639 84 HA THR 596 HA THR 596 16.530 4.504 -4.547 85 HB THR 596 HB THR 596 16.478 4.392 -6.956 86 HG1 THR 596 HG1 THR 596 16.089 6.464 -5.985 87 HG21 THR 596 1HG2 THR 596 14.444 4.290 -8.255 88 HG22 THR 596 2HG2 THR 596 13.474 4.243 -6.787 89 HG23 THR 596 3HG2 THR 596 14.527 2.892 -7.185 90 H GLN 597 H GLN 597 15.327 6.266 -3.715 91 HA GLN 597 HA GLN 597 13.295 5.523 -1.919 92 HB2 GLN 597 1HB GLN 597 14.838 7.454 -1.623 93 HB3 GLN 597 2HB GLN 597 13.978 8.300 -2.901 94 HG2 GLN 597 1HG GLN 597 11.964 8.337 -1.578 95 HG3 GLN 597 2HG GLN 597 12.737 7.369 -0.323 96 HE21 GLN 597 1HE2 GLN 597 12.545 10.497 -1.820 97 HE22 GLN 597 2HE2 GLN 597 13.393 11.357 -0.596 98 H ASP 598 H ASP 598 13.257 7.033 -5.054 99 HA ASP 598 HA ASP 598 10.551 7.685 -5.257 100 HB2 ASP 598 1HB ASP 598 12.176 8.443 -6.912 101 HB3 ASP 598 2HB ASP 598 12.415 6.787 -7.461 102 H LEU 599 H LEU 599 12.194 4.600 -5.878 103 HA LEU 599 HA LEU 599 10.080 3.199 -7.013 104 HB2 LEU 599 1HB LEU 599 12.526 2.477 -6.711 105 HB3 LEU 599 2HB LEU 599 12.066 1.978 -5.094 106 HG LEU 599 HG LEU 599 10.402 0.424 -6.075 107 HD11 LEU 599 1HD1 LEU 599 9.942 1.544 -8.139 108 HD12 LEU 599 2HD1 LEU 599 10.594 -0.056 -8.501 109 HD13 LEU 599 3HD1 LEU 599 11.617 1.374 -8.655 110 HD21 LEU 599 3HD2 LEU 599 12.604 -0.417 -5.480 111 HD22 LEU 599 1HD2 LEU 599 13.243 0.085 -7.044 112 HD23 LEU 599 2HD2 LEU 599 12.038 -1.200 -6.952 113 H ARG 600 H ARG 600 11.027 3.469 -3.610 114 HA ARG 600 HA ARG 600 8.987 1.817 -2.598 115 HB2 ARG 600 1HB ARG 600 10.503 4.033 -1.203 116 HB3 ARG 600 2HB ARG 600 9.538 2.800 -0.403 117 HG2 ARG 600 1HG ARG 600 11.061 1.096 -1.494 118 HG3 ARG 600 2HG ARG 600 12.105 2.454 -1.917 119 HD2 ARG 600 1HD ARG 600 11.236 1.715 0.873 120 HD3 ARG 600 2HD ARG 600 12.801 1.336 0.160 121 HE ARG 600 HE ARG 600 12.906 3.920 -0.078 122 HH11 ARG 600 1HH1 ARG 600 11.427 2.160 2.560 123 HH12 ARG 600 2HH1 ARG 600 11.835 3.366 3.753 124 HH21 ARG 600 1HH2 ARG 600 13.440 5.503 1.492 125 HH22 ARG 600 2HH2 ARG 600 12.973 5.258 3.145 126 H SER 601 H SER 601 9.202 5.355 -2.876 127 HA SER 601 HA SER 601 6.700 5.857 -1.670 128 HB2 SER 601 1HB SER 601 6.941 8.117 -2.823 129 HB3 SER 601 2HB SER 601 8.254 7.654 -1.743 130 HG SER 601 HG SER 601 9.577 7.414 -3.400 131 H HIS 602 H HIS 602 7.710 5.371 -5.018 132 HA HIS 602 HA HIS 602 5.324 6.005 -6.314 133 HB2 HIS 602 1HB HIS 602 7.574 5.445 -7.378 134 HB3 HIS 602 2HB HIS 602 7.138 3.748 -7.178 135 HD1 HIS 602 HD1 HIS 602 6.165 2.773 -9.202 136 HD2 HIS 602 HD2 HIS 602 5.338 6.834 -8.914 137 HE1 HIS 602 HE1 HIS 602 4.865 3.342 -11.273 138 HE2 HIS 602 HE2 HIS 602 4.522 5.833 -11.157 139 H LEU 603 H LEU 603 6.428 2.894 -5.030 140 HA LEU 603 HA LEU 603 4.158 1.413 -5.791 141 HB2 LEU 603 1HB LEU 603 6.144 0.889 -3.580 142 HB3 LEU 603 2HB LEU 603 4.964 -0.264 -4.169 143 HG LEU 603 HG LEU 603 6.992 0.955 -6.023 144 HD11 LEU 603 1HD1 LEU 603 7.322 -1.602 -4.467 145 HD12 LEU 603 2HD1 LEU 603 8.185 -0.100 -4.144 146 HD13 LEU 603 3HD1 LEU 603 8.429 -0.945 -5.672 147 HD21 LEU 603 3HD2 LEU 603 6.551 -1.088 -7.306 148 HD22 LEU 603 1HD2 LEU 603 5.082 -0.153 -7.040 149 HD23 LEU 603 2HD2 LEU 603 5.390 -1.600 -6.082 150 H VAL 604 H VAL 604 4.904 3.274 -2.896 151 HA VAL 604 HA VAL 604 2.786 2.398 -1.275 152 HB VAL 604 HB VAL 604 4.283 5.017 -1.384 153 HG11 VAL 604 1HG1 VAL 604 2.244 4.200 0.685 154 HG12 VAL 604 2HG1 VAL 604 2.001 5.438 -0.547 155 HG13 VAL 604 3HG1 VAL 604 3.228 5.665 0.699 156 HG21 VAL 604 3HG2 VAL 604 5.246 4.211 0.720 157 HG22 VAL 604 1HG2 VAL 604 5.538 3.081 -0.601 158 HG23 VAL 604 2HG2 VAL 604 4.285 2.738 0.592 159 H HIS 605 H HIS 605 2.985 5.088 -3.601 160 HA HIS 605 HA HIS 605 0.316 5.960 -3.208 161 HB2 HIS 605 1HB HIS 605 2.194 6.394 -5.524 162 HB3 HIS 605 2HB HIS 605 0.587 7.107 -5.444 163 HD1 HIS 605 HD1 HIS 605 0.191 8.947 -3.653 164 HD2 HIS 605 HD2 HIS 605 4.118 7.616 -3.918 165 HE1 HIS 605 HE1 HIS 605 1.557 10.616 -2.368 166 HE2 HIS 605 HE2 HIS 605 3.894 9.686 -2.384 167 H LYS 606 H LYS 606 1.771 3.662 -5.463 168 HA LYS 606 HA LYS 606 -0.507 3.115 -7.000 169 HB2 LYS 606 1HB LYS 606 1.754 1.276 -6.194 170 HB3 LYS 606 2HB LYS 606 0.557 0.902 -7.426 171 HG2 LYS 606 1HG LYS 606 1.313 2.817 -8.742 172 HG3 LYS 606 2HG LYS 606 2.512 3.192 -7.506 173 HD2 LYS 606 1HD LYS 606 3.519 1.982 -9.372 174 HD3 LYS 606 2HD LYS 606 3.590 1.034 -7.888 175 HE2 LYS 606 1HE LYS 606 2.958 -0.346 -9.806 176 HE3 LYS 606 2HE LYS 606 1.668 -0.273 -8.609 177 HZ1 LYS 606 3HZ LYS 606 0.581 1.423 -9.977 178 HZ2 LYS 606 1HZ LYS 606 0.777 -0.029 -10.818 179 HZ3 LYS 606 2HZ LYS 606 1.801 1.278 -11.138 180 H LEU 607 H LEU 607 0.598 1.782 -3.927 181 HA LEU 607 HA LEU 607 -1.451 -0.120 -3.584 182 HB2 LEU 607 1HB LEU 607 0.701 0.021 -2.313 183 HB3 LEU 607 2HB LEU 607 0.053 1.399 -1.450 184 HG LEU 607 HG LEU 607 -1.455 -1.181 -1.375 185 HD11 LEU 607 1HD1 LEU 607 0.866 -1.797 -0.903 186 HD12 LEU 607 2HD1 LEU 607 -0.137 -1.905 0.542 187 HD13 LEU 607 3HD1 LEU 607 0.951 -0.535 0.325 188 HD21 LEU 607 3HD2 LEU 607 -2.445 0.804 -0.383 189 HD22 LEU 607 1HD2 LEU 607 -1.000 1.061 0.592 190 HD23 LEU 607 2HD2 LEU 607 -2.010 -0.354 0.875 191 H VAL 608 H VAL 608 -1.147 3.238 -2.408 192 HA VAL 608 HA VAL 608 -3.680 3.567 -1.325 193 HB VAL 608 HB VAL 608 -2.037 5.583 -2.869 194 HG11 VAL 608 1HG1 VAL 608 -4.375 6.286 -2.674 195 HG12 VAL 608 2HG1 VAL 608 -3.308 7.298 -1.702 196 HG13 VAL 608 3HG1 VAL 608 -4.293 6.061 -0.928 197 HG21 VAL 608 3HG2 VAL 608 -1.295 6.325 -0.649 198 HG22 VAL 608 1HG2 VAL 608 -0.835 4.655 -0.978 199 HG23 VAL 608 2HG2 VAL 608 -2.199 5.000 0.085 200 H GLN 609 H GLN 609 -2.624 3.913 -4.683 201 HA GLN 609 HA GLN 609 -5.014 4.842 -5.795 202 HB2 GLN 609 1HB GLN 609 -2.811 4.854 -6.930 203 HB3 GLN 609 2HB GLN 609 -2.901 3.112 -7.096 204 HG2 GLN 609 1HG GLN 609 -5.173 4.613 -8.204 205 HG3 GLN 609 2HG GLN 609 -3.620 4.848 -9.003 206 HE21 GLN 609 1HE2 GLN 609 -6.152 2.579 -8.266 207 HE22 GLN 609 2HE2 GLN 609 -5.647 1.351 -9.372 208 H ALA 610 H ALA 610 -3.883 1.570 -5.152 209 HA ALA 610 HA ALA 610 -5.944 0.173 -6.452 210 HB1 ALA 610 3HB ALA 610 -5.310 -1.723 -5.062 211 HB2 ALA 610 1HB ALA 610 -4.377 -0.655 -4.014 212 HB3 ALA 610 2HB ALA 610 -3.882 -0.898 -5.689 213 H ILE 611 H ILE 611 -5.701 1.525 -3.202 214 HA ILE 611 HA ILE 611 -8.227 0.425 -2.377 215 HB ILE 611 HB ILE 611 -6.345 2.452 -1.082 216 HG12 ILE 611 1HG1 ILE 611 -7.070 -0.176 0.210 217 HG13 ILE 611 2HG1 ILE 611 -5.894 -0.147 -1.117 218 HG21 ILE 611 1HG2 ILE 611 -7.709 2.422 0.928 219 HG22 ILE 611 2HG2 ILE 611 -8.922 1.438 0.114 220 HG23 ILE 611 3HG2 ILE 611 -8.593 3.082 -0.449 221 HD11 ILE 611 3HD1 ILE 611 -5.730 1.374 1.475 222 HD12 ILE 611 1HD1 ILE 611 -4.551 1.462 0.167 223 HD13 ILE 611 2HD1 ILE 611 -4.798 -0.054 1.031 224 H PHE 612 H PHE 612 -7.091 3.422 -3.775 225 HA PHE 612 HA PHE 612 -9.826 4.401 -3.930 226 HB2 PHE 612 1HB PHE 612 -8.503 5.202 -1.784 227 HB3 PHE 612 2HB PHE 612 -7.746 6.299 -2.919 228 HD1 PHE 612 HD2 PHE 612 -10.948 5.298 -1.422 229 HD2 PHE 612 HD1 PHE 612 -8.893 8.210 -3.735 230 HE1 PHE 612 HE2 PHE 612 -12.865 6.818 -1.194 231 HE2 PHE 612 HE1 PHE 612 -10.810 9.738 -3.509 232 HZ PHE 612 HZ PHE 612 -12.795 9.044 -2.241 233 HA PRO 613 HA PRO 613 -7.269 5.011 -7.680 234 HB2 PRO 613 1HB PRO 613 -9.273 4.618 -9.498 235 HB3 PRO 613 2HB PRO 613 -8.371 3.300 -8.748 236 HG2 PRO 613 1HG PRO 613 -11.108 4.310 -8.158 237 HG3 PRO 613 2HG PRO 613 -10.474 2.659 -8.065 238 HD2 PRO 613 1HD PRO 613 -10.910 4.327 -5.884 239 HD3 PRO 613 2HD PRO 613 -9.812 2.922 -5.903 240 H THR 614 H THR 614 -10.442 6.460 -7.064 241 HA THR 614 HA THR 614 -10.336 8.444 -9.050 242 HB THR 614 HB THR 614 -12.077 9.604 -7.621 243 HG1 THR 614 HG1 THR 614 -11.197 8.608 -5.626 244 HG21 THR 614 1HG2 THR 614 -12.469 6.672 -8.264 245 HG22 THR 614 2HG2 THR 614 -12.712 8.028 -9.366 246 HG23 THR 614 3HG2 THR 614 -13.763 7.832 -7.964 247 HA PRO 615 HA PRO 615 -7.348 11.108 -6.925 248 HB2 PRO 615 1HB PRO 615 -7.129 12.553 -9.422 249 HB3 PRO 615 2HB PRO 615 -5.938 11.489 -8.657 250 HG2 PRO 615 1HG PRO 615 -7.205 10.858 -11.006 251 HG3 PRO 615 2HG PRO 615 -6.600 9.633 -9.862 252 HD2 PRO 615 1HD PRO 615 -9.394 10.718 -10.201 253 HD3 PRO 615 2HD PRO 615 -8.872 9.027 -9.994 254 H ASP 616 H ASP 616 -9.432 11.851 -5.859 255 HA ASP 616 HA ASP 616 -10.637 14.230 -7.049 256 HB2 ASP 616 1HB ASP 616 -12.160 12.582 -5.990 257 HB3 ASP 616 2HB ASP 616 -11.290 12.755 -4.469 258 HA PRO 617 HA PRO 617 -7.689 16.849 -5.090 259 HB2 PRO 617 1HB PRO 617 -9.257 19.160 -5.119 260 HB3 PRO 617 2HB PRO 617 -8.262 18.580 -6.462 261 HG2 PRO 617 1HG PRO 617 -11.192 18.241 -5.974 262 HG3 PRO 617 2HG PRO 617 -10.336 18.583 -7.493 263 HD2 PRO 617 1HD PRO 617 -11.237 16.129 -6.948 264 HD3 PRO 617 2HD PRO 617 -9.677 16.365 -7.779 265 H ALA 618 H ALA 618 -11.067 16.825 -3.882 266 HA ALA 618 HA ALA 618 -10.317 18.002 -1.381 267 HB1 ALA 618 3HB ALA 618 -12.833 16.546 -2.183 268 HB2 ALA 618 1HB ALA 618 -12.570 18.286 -2.259 269 HB3 ALA 618 2HB ALA 618 -12.609 17.469 -0.698 270 H ALA 619 H ALA 619 -11.227 14.746 -2.465 271 HA ALA 619 HA ALA 619 -10.808 13.358 -0.113 272 HB1 ALA 619 3HB ALA 619 -10.546 11.375 -1.457 273 HB2 ALA 619 1HB ALA 619 -10.148 12.345 -2.874 274 HB3 ALA 619 2HB ALA 619 -11.771 12.412 -2.190 275 H LEU 620 H LEU 620 -8.445 14.499 -2.443 276 HA LEU 620 HA LEU 620 -6.178 13.149 -1.501 277 HB2 LEU 620 1HB LEU 620 -6.771 15.197 -3.358 278 HB3 LEU 620 2HB LEU 620 -5.525 15.835 -2.303 279 HG LEU 620 HG LEU 620 -4.538 14.829 -4.279 280 HD11 LEU 620 1HD1 LEU 620 -2.980 13.284 -3.216 281 HD12 LEU 620 2HD1 LEU 620 -4.050 13.159 -1.821 282 HD13 LEU 620 3HD1 LEU 620 -3.277 14.698 -2.205 283 HD21 LEU 620 3HD2 LEU 620 -6.305 13.234 -4.806 284 HD22 LEU 620 1HD2 LEU 620 -5.864 12.272 -3.397 285 HD23 LEU 620 2HD2 LEU 620 -4.731 12.443 -4.735 286 H LYS 621 H LYS 621 -7.819 16.008 -0.338 287 HA LYS 621 HA LYS 621 -5.787 16.398 1.743 288 HB2 LYS 621 1HB LYS 621 -8.048 18.225 0.869 289 HB3 LYS 621 2HB LYS 621 -6.841 18.599 2.095 290 HG2 LYS 621 1HG LYS 621 -5.086 18.390 0.346 291 HG3 LYS 621 2HG LYS 621 -6.368 18.193 -0.850 292 HD2 LYS 621 1HD LYS 621 -6.025 20.582 0.962 293 HD3 LYS 621 2HD LYS 621 -5.525 20.510 -0.727 294 HE2 LYS 621 1HE LYS 621 -8.355 20.125 0.236 295 HE3 LYS 621 2HE LYS 621 -7.706 21.650 -0.361 296 HZ1 LYS 621 3HZ LYS 621 -8.916 20.455 -2.079 297 HZ2 LYS 621 1HZ LYS 621 -7.882 19.124 -1.921 298 HZ3 LYS 621 2HZ LYS 621 -7.280 20.598 -2.490 299 H ASP 622 H ASP 622 -7.994 14.334 1.619 300 HA ASP 622 HA ASP 622 -9.693 15.165 3.870 301 HB2 ASP 622 1HB ASP 622 -10.956 14.401 1.949 302 HB3 ASP 622 2HB ASP 622 -9.996 12.929 1.840 303 H ARG 623 H ARG 623 -9.596 14.184 5.792 304 HA ARG 623 HA ARG 623 -7.293 12.901 6.631 305 HB2 ARG 623 1HB ARG 623 -10.036 13.040 7.866 306 HB3 ARG 623 2HB ARG 623 -8.672 12.291 8.680 307 HG2 ARG 623 1HG ARG 623 -8.814 15.167 7.783 308 HG3 ARG 623 2HG ARG 623 -9.029 14.583 9.434 309 HD2 ARG 623 1HD ARG 623 -6.531 14.337 7.761 310 HD3 ARG 623 2HD ARG 623 -6.779 15.439 9.112 311 HE ARG 623 HE ARG 623 -7.171 13.184 10.369 312 HH11 ARG 623 1HH1 ARG 623 -4.795 13.813 7.863 313 HH12 ARG 623 2HH1 ARG 623 -3.646 12.680 8.512 314 HH21 ARG 623 1HH2 ARG 623 -5.665 11.708 11.208 315 HH22 ARG 623 2HH2 ARG 623 -4.138 11.484 10.408 316 H ARG 624 H ARG 624 -10.358 11.481 5.605 317 HA ARG 624 HA ARG 624 -9.982 8.846 6.330 318 HB2 ARG 624 1HB ARG 624 -12.068 9.310 5.438 319 HB3 ARG 624 2HB ARG 624 -11.404 10.217 4.088 320 HG2 ARG 624 1HG ARG 624 -10.622 8.089 3.100 321 HG3 ARG 624 2HG ARG 624 -11.417 7.223 4.415 322 HD2 ARG 624 1HD ARG 624 -12.801 7.291 2.395 323 HD3 ARG 624 2HD ARG 624 -13.567 8.135 3.741 324 HE ARG 624 HE ARG 624 -12.354 10.162 2.513 325 HH11 ARG 624 1HH1 ARG 624 -14.292 7.540 1.219 326 HH12 ARG 624 2HH1 ARG 624 -14.849 8.458 -0.148 327 HH21 ARG 624 1HH2 ARG 624 -13.101 11.375 0.721 328 HH22 ARG 624 2HH2 ARG 624 -14.165 10.634 -0.433 329 H MET 625 H MET 625 -8.908 10.456 3.321 330 HA MET 625 HA MET 625 -7.669 8.141 2.290 331 HB2 MET 625 1HB MET 625 -8.222 9.872 0.733 332 HB3 MET 625 2HB MET 625 -7.243 11.048 1.595 333 HG2 MET 625 1HG MET 625 -5.209 9.787 1.028 334 HG3 MET 625 2HG MET 625 -6.201 8.624 0.146 335 HE1 MET 625 3HE MET 625 -8.322 10.366 -1.379 336 HE2 MET 625 1HE MET 625 -7.374 9.082 -2.128 337 HE3 MET 625 2HE MET 625 -7.474 10.665 -2.895 338 H GLU 626 H GLU 626 -6.488 10.753 4.365 339 HA GLU 626 HA GLU 626 -3.751 10.140 4.054 340 HB2 GLU 626 1HB GLU 626 -5.149 11.527 6.347 341 HB3 GLU 626 2HB GLU 626 -3.417 11.538 6.043 342 HG2 GLU 626 1HG GLU 626 -3.917 12.605 3.826 343 HG3 GLU 626 2HG GLU 626 -5.583 12.782 4.373 344 H ASN 627 H ASN 627 -6.214 9.080 6.357 345 HA ASN 627 HA ASN 627 -4.541 7.622 8.082 346 HB2 ASN 627 1HB ASN 627 -7.440 7.311 7.332 347 HB3 ASN 627 2HB ASN 627 -6.655 6.181 8.430 348 HD21 ASN 627 1HD2 ASN 627 -5.776 9.557 8.368 349 HD22 ASN 627 2HD2 ASN 627 -6.499 9.970 9.881 350 H LEU 628 H LEU 628 -6.214 6.644 5.111 351 HA LEU 628 HA LEU 628 -5.293 3.930 5.289 352 HB2 LEU 628 1HB LEU 628 -6.439 3.494 3.314 353 HB3 LEU 628 2HB LEU 628 -7.395 4.777 4.023 354 HG LEU 628 HG LEU 628 -5.981 6.308 2.400 355 HD11 LEU 628 1HD1 LEU 628 -5.835 3.614 1.065 356 HD12 LEU 628 2HD1 LEU 628 -4.469 4.591 1.604 357 HD13 LEU 628 3HD1 LEU 628 -5.498 5.161 0.291 358 HD21 LEU 628 3HD2 LEU 628 -7.771 6.121 0.814 359 HD22 LEU 628 1HD2 LEU 628 -8.439 5.888 2.432 360 HD23 LEU 628 2HD2 LEU 628 -8.163 4.499 1.381 361 H VAL 629 H VAL 629 -4.095 6.857 3.715 362 HA VAL 629 HA VAL 629 -2.033 5.590 2.226 363 HB VAL 629 HB VAL 629 -2.132 8.423 3.294 364 HG11 VAL 629 1HG1 VAL 629 -0.454 8.901 1.558 365 HG12 VAL 629 2HG1 VAL 629 -0.362 7.180 1.190 366 HG13 VAL 629 3HG1 VAL 629 0.144 7.773 2.772 367 HG21 VAL 629 3HG2 VAL 629 -2.852 7.312 0.585 368 HG22 VAL 629 1HG2 VAL 629 -2.815 9.020 1.017 369 HG23 VAL 629 2HG2 VAL 629 -3.978 7.942 1.786 370 H ALA 630 H ALA 630 -2.200 6.970 5.482 371 HA ALA 630 HA ALA 630 0.422 6.579 6.291 372 HB1 ALA 630 3HB ALA 630 -2.122 6.364 7.898 373 HB2 ALA 630 1HB ALA 630 -1.115 7.792 7.676 374 HB3 ALA 630 2HB ALA 630 -0.503 6.417 8.595 375 H TYR 631 H TYR 631 -2.242 4.263 6.095 376 HA TYR 631 HA TYR 631 -0.854 2.094 7.292 377 HB2 TYR 631 1HB TYR 631 -3.332 2.057 6.966 378 HB3 TYR 631 2HB TYR 631 -3.067 1.903 5.230 379 HD1 TYR 631 HD1 TYR 631 -1.617 0.291 8.270 380 HD2 TYR 631 HD2 TYR 631 -3.490 -0.267 4.485 381 HE1 TYR 631 HE1 TYR 631 -1.427 -2.141 8.541 382 HE2 TYR 631 HE2 TYR 631 -3.304 -2.697 4.755 383 HH TYR 631 HH TYR 631 -1.987 -4.328 5.975 384 H ALA 632 H ALA 632 -1.009 3.376 4.025 385 HA ALA 632 HA ALA 632 0.252 1.220 2.696 386 HB1 ALA 632 3HB ALA 632 0.638 2.776 0.874 387 HB2 ALA 632 1HB ALA 632 0.295 4.143 1.935 388 HB3 ALA 632 2HB ALA 632 -0.988 3.007 1.517 389 H LYS 633 H LYS 633 1.509 4.139 4.297 390 HA LYS 633 HA LYS 633 4.235 3.664 3.761 391 HB2 LYS 633 1HB LYS 633 2.660 5.453 5.432 392 HB3 LYS 633 2HB LYS 633 4.120 4.922 6.251 393 HG2 LYS 633 1HG LYS 633 4.552 6.990 5.101 394 HG3 LYS 633 2HG LYS 633 5.448 5.686 4.314 395 HD2 LYS 633 1HD LYS 633 4.532 6.916 2.543 396 HD3 LYS 633 2HD LYS 633 3.458 5.525 2.719 397 HE2 LYS 633 1HE LYS 633 2.168 7.555 2.405 398 HE3 LYS 633 2HE LYS 633 1.901 6.897 4.018 399 HZ1 LYS 633 3HZ LYS 633 3.369 8.536 4.933 400 HZ2 LYS 633 1HZ LYS 633 2.206 9.323 3.994 401 HZ3 LYS 633 2HZ LYS 633 3.776 9.116 3.400 402 H LYS 634 H LYS 634 2.105 2.649 6.399 403 HA LYS 634 HA LYS 634 3.981 1.328 7.992 404 HB2 LYS 634 1HB LYS 634 1.534 1.778 8.519 405 HB3 LYS 634 2HB LYS 634 1.145 0.392 7.513 406 HG2 LYS 634 1HG LYS 634 2.999 0.165 9.862 407 HG3 LYS 634 2HG LYS 634 1.251 0.054 10.042 408 HD2 LYS 634 1HD LYS 634 1.229 -1.835 8.457 409 HD3 LYS 634 2HD LYS 634 2.987 -1.733 8.331 410 HE2 LYS 634 1HE LYS 634 3.197 -2.213 10.710 411 HE3 LYS 634 2HE LYS 634 1.444 -2.264 10.867 412 HZ1 LYS 634 3HZ LYS 634 2.171 -4.478 10.722 413 HZ2 LYS 634 1HZ LYS 634 3.190 -4.168 9.406 414 HZ3 LYS 634 2HZ LYS 634 1.509 -4.126 9.212 415 H VAL 635 H VAL 635 2.137 0.232 5.190 416 HA VAL 635 HA VAL 635 3.024 -2.383 5.001 417 HB VAL 635 HB VAL 635 2.274 -0.397 2.868 418 HG11 VAL 635 1HG1 VAL 635 3.025 -3.290 2.457 419 HG12 VAL 635 2HG1 VAL 635 3.900 -1.889 1.843 420 HG13 VAL 635 3HG1 VAL 635 2.278 -2.247 1.248 421 HG21 VAL 635 3HG2 VAL 635 0.961 -2.908 3.911 422 HG22 VAL 635 1HG2 VAL 635 0.325 -1.873 2.634 423 HG23 VAL 635 2HG2 VAL 635 0.472 -1.252 4.276 424 H GLU 636 H GLU 636 4.550 0.532 3.617 425 HA GLU 636 HA GLU 636 6.751 -0.734 2.464 426 HB2 GLU 636 1HB GLU 636 6.409 1.439 1.748 427 HB3 GLU 636 2HB GLU 636 6.106 2.038 3.371 428 HG2 GLU 636 1HG GLU 636 8.172 2.909 2.458 429 HG3 GLU 636 2HG GLU 636 8.453 1.921 3.885 430 H GLY 637 H GLY 637 6.422 0.777 5.682 431 HA2 GLY 637 1HA GLY 637 9.033 0.239 6.579 432 HA3 GLY 637 2HA GLY 637 7.641 0.467 7.624 433 H ASP 638 H ASP 638 6.073 -1.669 6.920 434 HA ASP 638 HA ASP 638 7.183 -3.756 8.440 435 HB2 ASP 638 1HB ASP 638 4.764 -3.244 8.161 436 HB3 ASP 638 2HB ASP 638 4.848 -3.890 6.524 437 H MET 639 H MET 639 6.630 -3.488 4.931 438 HA MET 639 HA MET 639 7.519 -6.068 4.239 439 HB2 MET 639 1HB MET 639 7.705 -3.569 2.522 440 HB3 MET 639 2HB MET 639 7.821 -5.226 1.945 441 HG2 MET 639 1HG MET 639 5.379 -4.021 3.234 442 HG3 MET 639 2HG MET 639 5.627 -4.155 1.490 443 HE1 MET 639 3HE MET 639 2.933 -6.848 1.888 444 HE2 MET 639 1HE MET 639 3.472 -5.387 1.062 445 HE3 MET 639 2HE MET 639 2.989 -5.316 2.759 446 H TYR 640 H TYR 640 9.251 -3.079 4.711 447 HA TYR 640 HA TYR 640 11.531 -3.500 3.311 448 HB2 TYR 640 1HB TYR 640 11.029 -1.422 4.618 449 HB3 TYR 640 2HB TYR 640 11.634 -2.247 6.054 450 HD1 TYR 640 HD2 TYR 640 12.809 -1.937 2.511 451 HD2 TYR 640 HD1 TYR 640 13.777 -1.488 6.641 452 HE1 TYR 640 HE2 TYR 640 15.104 -1.315 1.906 453 HE2 TYR 640 HE1 TYR 640 16.071 -0.876 6.034 454 HH TYR 640 HH TYR 640 17.630 -1.222 4.144 455 H GLU 641 H GLU 641 10.850 -5.079 6.418 456 HA GLU 641 HA GLU 641 13.567 -5.906 6.837 457 HB2 GLU 641 1HB GLU 641 10.946 -6.704 8.003 458 HB3 GLU 641 2HB GLU 641 12.298 -7.831 8.197 459 HG2 GLU 641 1HG GLU 641 12.290 -6.445 10.158 460 HG3 GLU 641 2HG GLU 641 13.606 -5.818 9.157 461 H SER 642 H SER 642 10.730 -7.637 5.558 462 HA SER 642 HA SER 642 12.180 -9.902 4.672 463 HB2 SER 642 1HB SER 642 9.715 -9.845 5.053 464 HB3 SER 642 2HB SER 642 9.549 -8.854 3.607 465 HG SER 642 HG SER 642 9.573 -11.454 3.729 466 H ALA 643 H ALA 643 11.174 -6.923 3.093 467 HA ALA 643 HA ALA 643 11.866 -7.346 0.473 468 HB1 ALA 643 3HB ALA 643 11.865 -4.978 0.216 469 HB2 ALA 643 1HB ALA 643 12.161 -4.748 1.935 470 HB3 ALA 643 2HB ALA 643 10.626 -5.421 1.392 471 H ASN 644 H ASN 644 14.124 -8.194 2.354 472 HA ASN 644 HA ASN 644 16.302 -6.406 1.859 473 HB2 ASN 644 1HB ASN 644 16.011 -8.270 3.733 474 HB3 ASN 644 2HB ASN 644 16.714 -9.321 2.500 475 HD21 ASN 644 1HD2 ASN 644 17.451 -5.909 3.114 476 HD22 ASN 644 2HD2 ASN 644 19.116 -6.153 3.545 477 H SER 645 H SER 645 14.622 -8.344 -0.216 478 HA SER 645 HA SER 645 16.865 -8.333 -2.086 479 HB2 SER 645 1HB SER 645 16.043 -10.513 -3.025 480 HB3 SER 645 2HB SER 645 16.716 -10.637 -1.399 481 HG SER 645 HG SER 645 14.730 -10.908 -0.569 482 H ARG 646 H ARG 646 16.271 -8.015 -4.284 483 HA ARG 646 HA ARG 646 14.263 -6.132 -4.652 484 HB2 ARG 646 1HB ARG 646 15.650 -7.883 -6.677 485 HB3 ARG 646 2HB ARG 646 14.577 -6.565 -7.119 486 HG2 ARG 646 1HG ARG 646 17.036 -6.200 -5.427 487 HG3 ARG 646 2HG ARG 646 17.026 -6.042 -7.184 488 HD2 ARG 646 1HD ARG 646 15.387 -4.408 -5.246 489 HD3 ARG 646 2HD ARG 646 16.830 -3.866 -6.095 490 HE ARG 646 HE ARG 646 14.647 -4.780 -7.774 491 HH11 ARG 646 1HH1 ARG 646 16.287 -2.066 -6.286 492 HH12 ARG 646 2HH1 ARG 646 15.563 -0.894 -7.339 493 HH21 ARG 646 1HH2 ARG 646 13.688 -3.228 -9.160 494 HH22 ARG 646 2HH2 ARG 646 14.087 -1.551 -8.974 495 H ASP 647 H ASP 647 14.179 -9.573 -5.569 496 HA ASP 647 HA ASP 647 11.651 -9.518 -6.796 497 HB2 ASP 647 1HB ASP 647 13.234 -11.379 -7.094 498 HB3 ASP 647 2HB ASP 647 13.008 -11.843 -5.410 499 H GLU 648 H GLU 648 12.612 -10.218 -3.479 500 HA GLU 648 HA GLU 648 10.137 -11.063 -2.488 501 HB2 GLU 648 1HB GLU 648 12.415 -11.136 -1.332 502 HB3 GLU 648 2HB GLU 648 12.125 -9.459 -0.894 503 HG2 GLU 648 1HG GLU 648 11.484 -10.772 0.957 504 HG3 GLU 648 2HG GLU 648 9.994 -10.210 0.199 505 H TYR 649 H TYR 649 11.610 -7.856 -2.582 506 HA TYR 649 HA TYR 649 9.636 -6.439 -1.236 507 HB2 TYR 649 1HB TYR 649 11.887 -5.542 -1.877 508 HB3 TYR 649 2HB TYR 649 11.315 -5.394 -3.535 509 HD1 TYR 649 HD2 TYR 649 9.219 -4.581 -0.585 510 HD2 TYR 649 HD1 TYR 649 11.651 -3.055 -3.728 511 HE1 TYR 649 HE2 TYR 649 8.383 -2.313 -0.131 512 HE2 TYR 649 HE1 TYR 649 10.828 -0.793 -3.276 513 HH TYR 649 HH TYR 649 8.990 -0.004 -0.483 514 H TYR 650 H TYR 650 9.893 -7.073 -4.755 515 HA TYR 650 HA TYR 650 7.550 -5.622 -5.402 516 HB2 TYR 650 1HB TYR 650 9.253 -6.065 -7.085 517 HB3 TYR 650 2HB TYR 650 9.005 -7.800 -6.913 518 HD1 TYR 650 HD1 TYR 650 7.053 -4.711 -7.680 519 HD2 TYR 650 HD2 TYR 650 7.636 -8.852 -8.446 520 HE1 TYR 650 HE1 TYR 650 5.309 -4.631 -9.408 521 HE2 TYR 650 HE2 TYR 650 5.895 -8.782 -10.180 522 HH TYR 650 HH TYR 650 3.978 -7.459 -10.803 523 H HIS 651 H HIS 651 8.212 -8.938 -4.514 524 HA HIS 651 HA HIS 651 5.783 -10.043 -5.527 525 HB2 HIS 651 1HB HIS 651 8.182 -11.033 -4.272 526 HB3 HIS 651 2HB HIS 651 6.782 -11.677 -3.428 527 HD1 HIS 651 HD1 HIS 651 8.966 -12.667 -5.951 528 HD2 HIS 651 HD2 HIS 651 4.811 -12.599 -5.653 529 HE1 HIS 651 HE1 HIS 651 8.129 -14.327 -7.648 530 HE2 HIS 651 HE2 HIS 651 5.635 -14.419 -7.294 531 H LEU 652 H LEU 652 6.893 -9.003 -2.339 532 HA LEU 652 HA LEU 652 4.666 -9.757 -0.834 533 HB2 LEU 652 1HB LEU 652 6.510 -7.395 -0.468 534 HB3 LEU 652 2HB LEU 652 5.391 -7.984 0.745 535 HG LEU 652 HG LEU 652 7.683 -9.597 -0.377 536 HD11 LEU 652 1HD1 LEU 652 7.460 -8.095 2.229 537 HD12 LEU 652 2HD1 LEU 652 8.501 -7.671 0.870 538 HD13 LEU 652 3HD1 LEU 652 8.781 -9.166 1.761 539 HD21 LEU 652 3HD2 LEU 652 5.857 -10.967 0.447 540 HD22 LEU 652 1HD2 LEU 652 5.833 -10.061 1.960 541 HD23 LEU 652 2HD2 LEU 652 7.231 -11.053 1.548 542 H LEU 653 H LEU 653 5.381 -6.661 -2.405 543 HA LEU 653 HA LEU 653 2.974 -5.392 -1.694 544 HB2 LEU 653 1HB LEU 653 4.983 -4.879 -3.867 545 HB3 LEU 653 2HB LEU 653 3.550 -3.883 -3.680 546 HG LEU 653 HG LEU 653 5.347 -4.292 -1.326 547 HD11 LEU 653 1HD1 LEU 653 6.595 -2.270 -2.035 548 HD12 LEU 653 2HD1 LEU 653 5.819 -2.395 -3.614 549 HD13 LEU 653 3HD1 LEU 653 6.894 -3.675 -3.055 550 HD21 LEU 653 3HD2 LEU 653 3.156 -3.137 -1.123 551 HD22 LEU 653 1HD2 LEU 653 3.729 -1.929 -2.274 552 HD23 LEU 653 2HD2 LEU 653 4.530 -2.109 -0.714 553 H ALA 654 H ALA 654 3.902 -7.126 -4.678 554 HA ALA 654 HA ALA 654 1.636 -6.551 -6.188 555 HB1 ALA 654 3HB ALA 654 3.257 -9.090 -6.252 556 HB2 ALA 654 1HB ALA 654 3.668 -7.592 -7.087 557 HB3 ALA 654 2HB ALA 654 2.212 -8.480 -7.534 558 H GLU 655 H GLU 655 2.233 -9.359 -4.096 559 HA GLU 655 HA GLU 655 -0.295 -10.574 -4.417 560 HB2 GLU 655 1HB GLU 655 1.260 -11.983 -3.364 561 HB3 GLU 655 2HB GLU 655 1.783 -10.721 -2.244 562 HG2 GLU 655 1HG GLU 655 -0.642 -10.919 -1.328 563 HG3 GLU 655 2HG GLU 655 -0.634 -12.474 -2.155 564 H LYS 656 H LYS 656 0.887 -8.184 -2.133 565 HA LYS 656 HA LYS 656 -1.339 -8.253 -0.403 566 HB2 LYS 656 1HB LYS 656 1.133 -7.259 -0.195 567 HB3 LYS 656 2HB LYS 656 0.301 -5.782 -0.641 568 HG2 LYS 656 1HG LYS 656 0.503 -5.982 1.763 569 HG3 LYS 656 2HG LYS 656 -1.182 -6.015 1.262 570 HD2 LYS 656 1HD LYS 656 -1.024 -7.686 2.897 571 HD3 LYS 656 2HD LYS 656 -0.986 -8.568 1.377 572 HE2 LYS 656 1HE LYS 656 1.513 -7.768 2.844 573 HE3 LYS 656 2HE LYS 656 0.666 -9.271 3.181 574 HZ1 LYS 656 3HZ LYS 656 1.029 -9.985 0.921 575 HZ2 LYS 656 1HZ LYS 656 2.507 -9.556 1.622 576 HZ3 LYS 656 2HZ LYS 656 1.765 -8.511 0.525 577 H ILE 657 H ILE 657 -0.447 -6.091 -3.063 578 HA ILE 657 HA ILE 657 -2.659 -4.355 -2.815 579 HB ILE 657 HB ILE 657 -0.989 -5.009 -5.264 580 HG12 ILE 657 1HG1 ILE 657 -0.823 -2.705 -3.303 581 HG13 ILE 657 2HG1 ILE 657 0.269 -4.086 -3.338 582 HG21 ILE 657 1HG2 ILE 657 -3.123 -4.022 -5.904 583 HG22 ILE 657 2HG2 ILE 657 -1.802 -2.887 -6.170 584 HG23 ILE 657 3HG2 ILE 657 -2.863 -2.694 -4.775 585 HD11 ILE 657 3HD1 ILE 657 1.037 -3.433 -5.553 586 HD12 ILE 657 1HD1 ILE 657 1.258 -2.128 -4.387 587 HD13 ILE 657 2HD1 ILE 657 -0.075 -2.063 -5.540 588 H TYR 658 H TYR 658 -2.179 -7.324 -4.690 589 HA TYR 658 HA TYR 658 -4.659 -7.203 -6.057 590 HB2 TYR 658 1HB TYR 658 -2.575 -8.725 -6.544 591 HB3 TYR 658 2HB TYR 658 -3.369 -9.841 -5.439 592 HD1 TYR 658 HD1 TYR 658 -4.535 -7.618 -8.225 593 HD2 TYR 658 HD2 TYR 658 -4.464 -11.557 -6.597 594 HE1 TYR 658 HE1 TYR 658 -5.935 -8.414 -10.078 595 HE2 TYR 658 HE2 TYR 658 -5.863 -12.348 -8.442 596 HH TYR 658 HH TYR 658 -7.511 -11.386 -10.042 597 H LYS 659 H LYS 659 -3.681 -8.602 -2.956 598 HA LYS 659 HA LYS 659 -6.029 -9.982 -2.331 599 HB2 LYS 659 1HB LYS 659 -3.993 -8.584 -0.611 600 HB3 LYS 659 2HB LYS 659 -5.367 -9.428 0.087 601 HG2 LYS 659 1HG LYS 659 -3.375 -10.726 -1.756 602 HG3 LYS 659 2HG LYS 659 -3.244 -10.738 0.004 603 HD2 LYS 659 1HD LYS 659 -5.511 -11.792 0.086 604 HD3 LYS 659 2HD LYS 659 -5.454 -11.919 -1.673 605 HE2 LYS 659 1HE LYS 659 -3.431 -13.131 0.203 606 HE3 LYS 659 2HE LYS 659 -4.789 -14.001 -0.503 607 HZ1 LYS 659 3HZ LYS 659 -2.731 -14.361 -1.730 608 HZ2 LYS 659 1HZ LYS 659 -2.609 -12.705 -2.042 609 HZ3 LYS 659 2HZ LYS 659 -3.890 -13.589 -2.692 610 H ILE 660 H ILE 660 -5.154 -6.604 -1.699 611 HA ILE 660 HA ILE 660 -7.562 -5.876 -0.462 612 HB ILE 660 HB ILE 660 -5.241 -4.452 -1.508 613 HG12 ILE 660 1HG1 ILE 660 -7.162 -3.803 0.723 614 HG13 ILE 660 2HG1 ILE 660 -5.828 -4.938 0.875 615 HG21 ILE 660 1HG2 ILE 660 -6.833 -3.294 -2.925 616 HG22 ILE 660 2HG2 ILE 660 -6.353 -2.235 -1.601 617 HG23 ILE 660 3HG2 ILE 660 -7.916 -3.048 -1.557 618 HD11 ILE 660 3HD1 ILE 660 -4.257 -3.131 0.391 619 HD12 ILE 660 1HD1 ILE 660 -5.251 -2.783 1.805 620 HD13 ILE 660 2HD1 ILE 660 -5.607 -2.004 0.264 621 H GLN 661 H GLN 661 -6.668 -6.063 -3.867 622 HA GLN 661 HA GLN 661 -8.970 -4.711 -4.854 623 HB2 GLN 661 1HB GLN 661 -7.178 -6.730 -6.238 624 HB3 GLN 661 2HB GLN 661 -8.478 -5.858 -7.028 625 HG2 GLN 661 1HG GLN 661 -7.317 -3.717 -6.411 626 HG3 GLN 661 2HG GLN 661 -5.964 -4.693 -5.844 627 HE21 GLN 661 1HE2 GLN 661 -4.713 -5.820 -7.335 628 HE22 GLN 661 2HE2 GLN 661 -4.742 -5.447 -9.022 629 H LYS 662 H LYS 662 -8.255 -8.042 -4.034 630 HA LYS 662 HA LYS 662 -10.625 -9.184 -5.066 631 HB2 LYS 662 1HB LYS 662 -8.631 -10.518 -4.515 632 HB3 LYS 662 2HB LYS 662 -8.847 -10.140 -2.814 633 HG2 LYS 662 1HG LYS 662 -9.626 -12.384 -3.349 634 HG3 LYS 662 2HG LYS 662 -10.939 -11.359 -2.777 635 HD2 LYS 662 1HD LYS 662 -11.801 -12.599 -4.600 636 HD3 LYS 662 2HD LYS 662 -11.537 -10.965 -5.196 637 HE2 LYS 662 1HE LYS 662 -9.499 -13.144 -5.565 638 HE3 LYS 662 2HE LYS 662 -10.829 -12.917 -6.694 639 HZ1 LYS 662 3HZ LYS 662 -8.618 -11.044 -6.094 640 HZ2 LYS 662 1HZ LYS 662 -10.021 -10.556 -6.918 641 HZ3 LYS 662 2HZ LYS 662 -9.015 -11.753 -7.574 642 H GLU 663 H GLU 663 -9.732 -7.840 -1.921 643 HA GLU 663 HA GLU 663 -12.119 -8.348 -0.546 644 HB2 GLU 663 1HB GLU 663 -10.019 -6.223 -0.305 645 HB3 GLU 663 2HB GLU 663 -11.464 -6.158 0.687 646 HG2 GLU 663 1HG GLU 663 -9.627 -8.535 0.593 647 HG3 GLU 663 2HG GLU 663 -9.475 -7.220 1.759 648 H LEU 664 H LEU 664 -11.199 -5.670 -2.676 649 HA LEU 664 HA LEU 664 -13.470 -4.076 -2.364 650 HB2 LEU 664 1HB LEU 664 -11.956 -4.508 -4.943 651 HB3 LEU 664 2HB LEU 664 -12.952 -3.127 -4.534 652 HG LEU 664 HG LEU 664 -10.334 -3.867 -3.221 653 HD11 LEU 664 1HD1 LEU 664 -11.039 -1.596 -5.073 654 HD12 LEU 664 2HD1 LEU 664 -10.098 -3.022 -5.507 655 HD13 LEU 664 3HD1 LEU 664 -9.471 -1.882 -4.319 656 HD21 LEU 664 3HD2 LEU 664 -10.531 -1.705 -2.091 657 HD22 LEU 664 1HD2 LEU 664 -11.838 -2.798 -1.639 658 HD23 LEU 664 2HD2 LEU 664 -12.138 -1.490 -2.784 659 H GLU 665 H GLU 665 -12.856 -6.791 -4.545 660 HA GLU 665 HA GLU 665 -15.325 -6.821 -5.878 661 HB2 GLU 665 1HB GLU 665 -13.541 -9.154 -5.153 662 HB3 GLU 665 2HB GLU 665 -14.808 -9.174 -6.368 663 HG2 GLU 665 1HG GLU 665 -13.595 -7.626 -7.740 664 HG3 GLU 665 2HG GLU 665 -12.378 -7.405 -6.482 665 H GLU 666 H GLU 666 -14.221 -8.460 -2.954 666 HA GLU 666 HA GLU 666 -16.504 -10.043 -2.540 667 HB2 GLU 666 1HB GLU 666 -14.251 -10.412 -1.538 668 HB3 GLU 666 2HB GLU 666 -14.541 -9.043 -0.473 669 HG2 GLU 666 1HG GLU 666 -14.974 -11.066 0.720 670 HG3 GLU 666 2HG GLU 666 -16.499 -10.227 0.449 671 H LYS 667 H LYS 667 -15.554 -6.939 -1.091 672 HA LYS 667 HA LYS 667 -17.812 -6.776 0.632 673 HB2 LYS 667 1HB LYS 667 -16.064 -4.537 -0.419 674 HB3 LYS 667 2HB LYS 667 -17.128 -4.439 0.974 675 HG2 LYS 667 1HG LYS 667 -14.554 -6.003 0.705 676 HG3 LYS 667 2HG LYS 667 -14.930 -4.671 1.800 677 HD2 LYS 667 1HD LYS 667 -16.390 -5.999 3.101 678 HD3 LYS 667 2HD LYS 667 -16.416 -7.285 1.894 679 HE2 LYS 667 1HE LYS 667 -15.021 -7.862 3.828 680 HE3 LYS 667 2HE LYS 667 -14.091 -7.789 2.334 681 HZ1 LYS 667 3HZ LYS 667 -12.860 -6.723 4.044 682 HZ2 LYS 667 1HZ LYS 667 -14.178 -5.742 4.487 683 HZ3 LYS 667 2HZ LYS 667 -13.411 -5.522 2.992 684 H ARG 668 H ARG 668 -17.178 -5.499 -2.617 685 HA ARG 668 HA ARG 668 -19.612 -4.073 -2.705 686 HB2 ARG 668 1HB ARG 668 -17.654 -3.341 -3.986 687 HB3 ARG 668 2HB ARG 668 -17.745 -4.812 -4.941 688 HG2 ARG 668 1HG ARG 668 -19.708 -4.118 -6.021 689 HG3 ARG 668 2HG ARG 668 -19.999 -2.838 -4.842 690 HD2 ARG 668 1HD ARG 668 -17.632 -2.918 -6.701 691 HD3 ARG 668 2HD ARG 668 -19.122 -2.042 -7.043 692 HE ARG 668 HE ARG 668 -18.602 -0.832 -4.863 693 HH11 ARG 668 1HH1 ARG 668 -16.115 -2.091 -6.992 694 HH12 ARG 668 2HH1 ARG 668 -14.937 -0.911 -6.509 695 HH21 ARG 668 1HH2 ARG 668 -17.041 0.715 -4.232 696 HH22 ARG 668 2HH2 ARG 668 -15.457 0.675 -4.945 697 H ARG 669 H ARG 669 -18.730 -7.212 -3.201 698 HA ARG 669 HA ARG 669 -20.749 -8.139 -4.938 699 HB2 ARG 669 1HB ARG 669 -18.756 -9.461 -4.306 700 HB3 ARG 669 2HB ARG 669 -19.392 -9.593 -2.671 701 HG2 ARG 669 1HG ARG 669 -19.783 -11.632 -3.938 702 HG3 ARG 669 2HG ARG 669 -21.306 -10.853 -3.507 703 HD2 ARG 669 1HD ARG 669 -21.459 -9.898 -5.748 704 HD3 ARG 669 2HD ARG 669 -19.924 -10.652 -6.180 705 HE ARG 669 HE ARG 669 -21.545 -12.702 -5.324 706 HH11 ARG 669 1HH1 ARG 669 -21.687 -10.265 -7.827 707 HH12 ARG 669 2HH1 ARG 669 -22.587 -11.261 -8.924 708 HH21 ARG 669 1HH2 ARG 669 -22.738 -14.017 -6.755 709 HH22 ARG 669 2HH2 ARG 669 -23.198 -13.395 -8.307 710 H SER 670 H SER 670 -20.724 -7.273 -1.589 711 HA SER 670 HA SER 670 -23.113 -8.633 -0.843 712 HB2 SER 670 1HB SER 670 -21.230 -7.860 0.691 713 HB3 SER 670 2HB SER 670 -21.897 -6.236 0.535 714 HG SER 670 HG SER 670 -23.359 -8.500 1.438 715 H ARG 671 H ARG 671 -22.939 -6.464 -3.132 716 HA ARG 671 HA ARG 671 -24.640 -4.353 -2.470 717 HB2 ARG 671 1HB ARG 671 -25.067 -4.235 -4.938 718 HB3 ARG 671 2HB ARG 671 -23.363 -4.244 -4.500 719 HG2 ARG 671 1HG ARG 671 -23.110 -6.506 -5.166 720 HG3 ARG 671 2HG ARG 671 -24.852 -6.723 -5.322 721 HD2 ARG 671 1HD ARG 671 -23.743 -6.497 -7.499 722 HD3 ARG 671 2HD ARG 671 -24.906 -5.209 -7.206 723 HE ARG 671 HE ARG 671 -22.581 -4.106 -6.390 724 HH11 ARG 671 1HH1 ARG 671 -23.513 -5.782 -9.310 725 HH12 ARG 671 2HH1 ARG 671 -22.441 -4.878 -10.330 726 HH21 ARG 671 1HH2 ARG 671 -21.187 -2.877 -7.747 727 HH22 ARG 671 2HH2 ARG 671 -21.134 -3.219 -9.449 728 H LEU 672 H LEU 672 -26.835 -4.123 -2.499 729 HA LEU 672 HA LEU 672 -28.380 -6.602 -2.811 730 HB2 LEU 672 1HB LEU 672 -28.996 -4.105 -1.216 731 HB3 LEU 672 2HB LEU 672 -30.083 -5.472 -1.363 732 HG LEU 672 HG LEU 672 -27.345 -5.539 -0.084 733 HD11 LEU 672 1HD1 LEU 672 -28.562 -5.791 2.012 734 HD12 LEU 672 2HD1 LEU 672 -30.093 -5.620 1.153 735 HD13 LEU 672 3HD1 LEU 672 -28.967 -4.265 1.224 736 HD21 LEU 672 3HD2 LEU 672 -29.490 -7.647 -0.299 737 HD22 LEU 672 1HD2 LEU 672 -28.024 -7.777 0.671 738 HD23 LEU 672 2HD2 LEU 672 -27.912 -7.672 -1.085 739 H1 ASP 840 1H ASP 840 4.658 -12.922 10.833 740 HA ASP 840 HA ASP 840 3.147 -13.411 8.366 741 HB2 ASP 840 1HB ASP 840 2.120 -13.440 11.228 742 HB3 ASP 840 2HB ASP 840 1.192 -13.847 9.782 743 H ALA 841 H ALA 841 3.270 -11.404 7.448 744 HA ALA 841 HA ALA 841 2.684 -9.029 8.998 745 HB1 ALA 841 3HB ALA 841 4.422 -8.992 7.268 746 HB2 ALA 841 1HB ALA 841 3.149 -7.814 6.947 747 HB3 ALA 841 2HB ALA 841 3.199 -9.327 6.043 748 H GLY 842 H GLY 842 0.892 -11.354 7.432 749 HA2 GLY 842 1HA GLY 842 -1.467 -11.347 7.473 750 HA3 GLY 842 2HA GLY 842 -1.443 -9.593 7.370 751 H ASN 843 H ASN 843 -1.695 -12.509 5.658 752 HA ASN 843 HA ASN 843 -0.855 -11.678 3.091 753 HB2 ASN 843 1HB ASN 843 -2.746 -13.832 4.032 754 HB3 ASN 843 2HB ASN 843 -2.516 -13.505 2.319 755 HD21 ASN 843 1HD2 ASN 843 0.109 -13.157 4.616 756 HD22 ASN 843 2HD2 ASN 843 1.001 -14.531 4.071 757 H ILE 844 H ILE 844 -3.915 -11.473 4.796 758 HA ILE 844 HA ILE 844 -4.923 -9.741 2.629 759 HB ILE 844 HB ILE 844 -6.663 -10.989 4.773 760 HG12 ILE 844 1HG1 ILE 844 -6.057 -12.026 1.989 761 HG13 ILE 844 2HG1 ILE 844 -5.592 -12.797 3.499 762 HG21 ILE 844 1HG2 ILE 844 -8.464 -10.480 3.200 763 HG22 ILE 844 2HG2 ILE 844 -7.291 -9.804 2.069 764 HG23 ILE 844 3HG2 ILE 844 -7.562 -9.024 3.627 765 HD11 ILE 844 3HD1 ILE 844 -7.508 -13.889 2.482 766 HD12 ILE 844 1HD1 ILE 844 -8.410 -12.374 2.532 767 HD13 ILE 844 2HD1 ILE 844 -7.938 -13.170 4.035 768 H LEU 845 H LEU 845 -5.667 -7.669 3.167 769 HA LEU 845 HA LEU 845 -4.418 -6.679 5.603 770 HB2 LEU 845 1HB LEU 845 -5.532 -5.127 3.262 771 HB3 LEU 845 2HB LEU 845 -4.562 -4.478 4.570 772 HG LEU 845 HG LEU 845 -2.897 -6.406 3.623 773 HD11 LEU 845 1HD1 LEU 845 -2.963 -6.612 1.320 774 HD12 LEU 845 2HD1 LEU 845 -3.999 -5.201 1.122 775 HD13 LEU 845 3HD1 LEU 845 -4.666 -6.705 1.759 776 HD21 LEU 845 3HD2 LEU 845 -3.146 -3.539 2.742 777 HD22 LEU 845 1HD2 LEU 845 -1.735 -4.553 2.451 778 HD23 LEU 845 2HD2 LEU 845 -2.211 -4.164 4.100 779 HA PRO 846 HA PRO 846 -7.698 -5.698 8.337 780 HB2 PRO 846 1HB PRO 846 -7.197 -2.883 7.424 781 HB3 PRO 846 2HB PRO 846 -7.501 -3.488 9.056 782 HG2 PRO 846 1HG PRO 846 -5.010 -2.987 8.153 783 HG3 PRO 846 2HG PRO 846 -5.362 -4.281 9.308 784 HD2 PRO 846 1HD PRO 846 -4.496 -4.486 6.535 785 HD3 PRO 846 2HD PRO 846 -4.591 -5.752 7.771 786 H SER 847 H SER 847 -9.666 -6.244 7.805 787 HA SER 847 HA SER 847 -11.025 -5.771 5.444 788 HB2 SER 847 1HB SER 847 -12.299 -6.155 8.156 789 HB3 SER 847 2HB SER 847 -12.980 -6.580 6.587 790 HG SER 847 HG SER 847 -10.916 -7.928 6.474 791 H ASP 848 H ASP 848 -10.918 -3.878 8.402 792 HA ASP 848 HA ASP 848 -13.214 -2.343 8.077 793 HB2 ASP 848 1HB ASP 848 -11.871 -2.452 10.163 794 HB3 ASP 848 2HB ASP 848 -10.654 -1.429 9.402 795 H ILE 849 H ILE 849 -9.916 -1.646 6.912 796 HA ILE 849 HA ILE 849 -10.507 0.971 6.008 797 HB ILE 849 HB ILE 849 -8.383 -0.835 4.822 798 HG12 ILE 849 1HG1 ILE 849 -8.174 -0.834 7.277 799 HG13 ILE 849 2HG1 ILE 849 -6.854 0.056 6.531 800 HG21 ILE 849 1HG2 ILE 849 -8.793 1.247 3.604 801 HG22 ILE 849 2HG2 ILE 849 -7.215 1.286 4.393 802 HG23 ILE 849 3HG2 ILE 849 -8.571 2.172 5.090 803 HD11 ILE 849 3HD1 ILE 849 -7.944 2.163 7.098 804 HD12 ILE 849 1HD1 ILE 849 -7.671 1.172 8.531 805 HD13 ILE 849 2HD1 ILE 849 -9.284 1.277 7.827 806 H MET 850 H MET 850 -10.540 -2.180 4.417 807 HA MET 850 HA MET 850 -11.269 -1.281 1.841 808 HB2 MET 850 1HB MET 850 -11.579 -3.927 3.247 809 HB3 MET 850 2HB MET 850 -12.204 -3.673 1.626 810 HG2 MET 850 1HG MET 850 -10.015 -4.776 1.686 811 HG3 MET 850 2HG MET 850 -10.021 -3.281 0.762 812 HE1 MET 850 3HE MET 850 -7.521 -1.055 2.412 813 HE2 MET 850 1HE MET 850 -9.255 -0.869 2.147 814 HE3 MET 850 2HE MET 850 -8.252 -1.632 0.914 815 H ASP 851 H ASP 851 -13.197 -2.418 4.583 816 HA ASP 851 HA ASP 851 -15.714 -2.124 3.337 817 HB2 ASP 851 1HB ASP 851 -14.821 -2.211 6.228 818 HB3 ASP 851 2HB ASP 851 -16.503 -1.874 5.814 819 H PHE 852 H PHE 852 -13.714 0.144 5.165 820 HA PHE 852 HA PHE 852 -15.594 2.195 5.449 821 HB2 PHE 852 1HB PHE 852 -13.429 2.045 6.666 822 HB3 PHE 852 2HB PHE 852 -12.592 2.465 5.178 823 HD1 PHE 852 HD1 PHE 852 -15.728 3.927 6.540 824 HD2 PHE 852 HD2 PHE 852 -11.595 4.506 5.695 825 HE1 PHE 852 HE1 PHE 852 -15.943 6.308 7.107 826 HE2 PHE 852 HE2 PHE 852 -11.804 6.880 6.258 827 HZ PHE 852 HZ PHE 852 -13.983 7.789 6.967 828 H VAL 853 H VAL 853 -13.133 1.710 2.887 829 HA VAL 853 HA VAL 853 -13.889 4.011 1.428 830 HB VAL 853 HB VAL 853 -11.719 3.058 0.998 831 HG11 VAL 853 1HG1 VAL 853 -12.222 0.695 1.390 832 HG12 VAL 853 2HG1 VAL 853 -11.403 0.930 -0.154 833 HG13 VAL 853 3HG1 VAL 853 -13.142 0.644 -0.112 834 HG21 VAL 853 3HG2 VAL 853 -13.544 2.846 -1.390 835 HG22 VAL 853 1HG2 VAL 853 -11.786 2.926 -1.473 836 HG23 VAL 853 2HG2 VAL 853 -12.703 4.287 -0.825 837 H LEU 854 H LEU 854 -14.929 0.650 1.245 838 HA LEU 854 HA LEU 854 -16.440 0.842 -1.111 839 HB2 LEU 854 1HB LEU 854 -16.319 -1.052 1.169 840 HB3 LEU 854 2HB LEU 854 -17.749 -1.112 0.163 841 HG LEU 854 HG LEU 854 -15.863 -2.728 -0.395 842 HD11 LEU 854 1HD1 LEU 854 -17.712 -2.291 -1.928 843 HD12 LEU 854 2HD1 LEU 854 -16.196 -2.541 -2.791 844 HD13 LEU 854 3HD1 LEU 854 -16.835 -0.912 -2.594 845 HD21 LEU 854 3HD2 LEU 854 -14.625 -0.222 -1.505 846 HD22 LEU 854 1HD2 LEU 854 -14.081 -1.868 -1.827 847 HD23 LEU 854 2HD2 LEU 854 -13.990 -1.215 -0.192 848 H LYS 855 H LYS 855 -17.268 1.574 2.234 849 HA LYS 855 HA LYS 855 -20.082 1.608 1.846 850 HB2 LYS 855 1HB LYS 855 -19.060 1.375 4.081 851 HB3 LYS 855 2HB LYS 855 -18.467 3.026 3.981 852 HG2 LYS 855 1HG LYS 855 -20.494 2.844 5.381 853 HG3 LYS 855 2HG LYS 855 -20.737 3.881 3.970 854 HD2 LYS 855 1HD LYS 855 -21.828 2.020 2.798 855 HD3 LYS 855 2HD LYS 855 -21.597 0.999 4.218 856 HE2 LYS 855 1HE LYS 855 -23.068 2.327 5.520 857 HE3 LYS 855 2HE LYS 855 -23.102 3.602 4.303 858 HZ1 LYS 855 3HZ LYS 855 -24.200 0.865 3.941 859 HZ2 LYS 855 1HZ LYS 855 -24.278 2.127 2.817 860 HZ3 LYS 855 2HZ LYS 855 -25.115 2.246 4.279 861 H ASN 856 H ASN 856 -17.647 3.861 0.980 862 HA ASN 856 HA ASN 856 -19.734 5.892 0.493 863 HB2 ASN 856 1HB ASN 856 -17.873 6.521 2.112 864 HB3 ASN 856 2HB ASN 856 -16.777 6.456 0.736 865 HD21 ASN 856 1HD2 ASN 856 -19.461 8.126 2.186 866 HD22 ASN 856 2HD2 ASN 856 -19.340 9.565 1.235 867 H THR 857 H THR 857 -19.533 7.106 -1.496 868 HA THR 857 HA THR 857 -17.847 5.867 -3.536 869 HB THR 857 HB THR 857 -20.778 6.497 -3.944 870 HG1 THR 857 HG1 THR 857 -19.413 4.185 -3.163 871 HG21 THR 857 1HG2 THR 857 -20.482 5.312 -6.076 872 HG22 THR 857 2HG2 THR 857 -18.763 5.126 -5.730 873 HG23 THR 857 3HG2 THR 857 -19.444 6.734 -5.978 874 HA PRO 858 HA PRO 858 -16.847 10.183 -4.211 875 HB2 PRO 858 1HB PRO 858 -15.903 9.119 -6.818 876 HB3 PRO 858 2HB PRO 858 -15.040 10.088 -5.619 877 HG2 PRO 858 1HG PRO 858 -14.516 7.490 -5.903 878 HG3 PRO 858 2HG PRO 858 -14.536 8.250 -4.300 879 HD2 PRO 858 1HD PRO 858 -16.594 6.516 -5.604 880 HD3 PRO 858 2HD PRO 858 -16.062 6.561 -3.910 Start of MODEL 3 1 H1 GLY 586 1H GLY 586 33.643 -2.180 -1.541 2 HA2 GLY 586 1HA GLY 586 33.950 -3.424 0.403 3 HA3 GLY 586 2HA GLY 586 35.452 -2.554 0.691 4 H VAL 587 H VAL 587 31.980 -2.516 1.108 5 HA VAL 587 HA VAL 587 32.260 -0.252 2.960 6 HB VAL 587 HB VAL 587 29.992 0.505 2.281 7 HG11 VAL 587 1HG1 VAL 587 32.006 0.402 0.039 8 HG12 VAL 587 2HG1 VAL 587 31.959 1.589 1.343 9 HG13 VAL 587 3HG1 VAL 587 30.656 1.530 0.157 10 HG21 VAL 587 3HG2 VAL 587 29.009 -0.319 0.200 11 HG22 VAL 587 1HG2 VAL 587 29.158 -1.611 1.389 12 HG23 VAL 587 2HG2 VAL 587 30.303 -1.505 0.054 13 H ARG 588 H ARG 588 30.650 -0.227 4.681 14 HA ARG 588 HA ARG 588 29.617 -2.922 5.226 15 HB2 ARG 588 1HB ARG 588 29.930 -2.472 7.607 16 HB3 ARG 588 2HB ARG 588 31.437 -2.260 6.737 17 HG2 ARG 588 1HG ARG 588 31.448 -0.493 8.213 18 HG3 ARG 588 2HG ARG 588 30.836 0.247 6.738 19 HD2 ARG 588 1HD ARG 588 28.549 0.031 7.582 20 HD3 ARG 588 2HD ARG 588 29.165 -0.713 9.057 21 HE ARG 588 HE ARG 588 30.477 1.681 8.884 22 HH11 ARG 588 1HH1 ARG 588 27.119 0.696 8.977 23 HH12 ARG 588 2HH1 ARG 588 26.588 2.152 9.755 24 HH21 ARG 588 1HH2 ARG 588 29.780 3.591 9.905 25 HH22 ARG 588 2HH2 ARG 588 28.095 3.802 10.276 26 H LYS 589 H LYS 589 28.664 0.158 4.436 27 HA LYS 589 HA LYS 589 26.027 -0.311 5.637 28 HB2 LYS 589 1HB LYS 589 26.950 1.506 6.836 29 HB3 LYS 589 2HB LYS 589 27.539 2.272 5.364 30 HG2 LYS 589 1HG LYS 589 25.216 2.713 4.696 31 HG3 LYS 589 2HG LYS 589 24.651 1.944 6.179 32 HD2 LYS 589 1HD LYS 589 24.620 4.323 6.491 33 HD3 LYS 589 2HD LYS 589 25.916 3.646 7.476 34 HE2 LYS 589 1HE LYS 589 26.654 5.680 6.369 35 HE3 LYS 589 2HE LYS 589 27.547 4.287 5.764 36 HZ1 LYS 589 3HZ LYS 589 26.138 4.262 3.811 37 HZ2 LYS 589 1HZ LYS 589 26.864 5.777 3.982 38 HZ3 LYS 589 2HZ LYS 589 25.239 5.568 4.397 39 H GLY 590 H GLY 590 25.671 -1.423 3.683 40 HA2 GLY 590 1HA GLY 590 24.321 0.291 1.820 41 HA3 GLY 590 2HA GLY 590 25.608 -0.682 1.123 42 H TRP 591 H TRP 591 22.845 -1.078 3.329 43 HA TRP 591 HA TRP 591 22.583 -3.877 2.578 44 HB2 TRP 591 1HB TRP 591 20.331 -2.787 4.066 45 HB3 TRP 591 2HB TRP 591 21.399 -4.111 4.498 46 HD1 TRP 591 HD1 TRP 591 23.206 -3.616 6.341 47 HE1 TRP 591 HE1 TRP 591 23.687 -1.570 7.843 48 HE3 TRP 591 HE3 TRP 591 20.365 -0.117 3.928 49 HZ2 TRP 591 HZ2 TRP 591 23.021 1.167 7.938 50 HZ3 TRP 591 HZ3 TRP 591 20.347 2.185 4.783 51 HH2 TRP 591 HH2 TRP 591 21.648 2.812 6.749 52 H HIS 592 H HIS 592 20.499 -1.007 2.529 53 HA HIS 592 HA HIS 592 18.690 -2.392 0.697 54 HB2 HIS 592 1HB HIS 592 18.308 -0.176 2.672 55 HB3 HIS 592 2HB HIS 592 17.187 -0.347 1.325 56 HD1 HIS 592 HD1 HIS 592 17.933 -1.681 4.666 57 HD2 HIS 592 HD2 HIS 592 15.765 -2.859 1.320 58 HE1 HIS 592 HE1 HIS 592 16.427 -3.521 5.452 59 HE2 HIS 592 HE2 HIS 592 14.924 -3.990 3.493 60 H GLU 593 H GLU 593 21.278 -0.498 0.341 61 HA GLU 593 HA GLU 593 20.388 1.762 -1.031 62 HB2 GLU 593 1HB GLU 593 22.638 2.019 -1.865 63 HB3 GLU 593 2HB GLU 593 22.683 1.507 -0.185 64 HG2 GLU 593 1HG GLU 593 23.388 -0.650 -0.742 65 HG3 GLU 593 2HG GLU 593 22.947 -0.446 -2.437 66 H HIS 594 H HIS 594 20.939 -1.527 -2.224 67 HA HIS 594 HA HIS 594 20.581 -0.868 -4.949 68 HB2 HIS 594 1HB HIS 594 20.234 -3.248 -5.359 69 HB3 HIS 594 2HB HIS 594 21.607 -2.995 -4.285 70 HD1 HIS 594 HD1 HIS 594 19.698 -5.590 -4.638 71 HD2 HIS 594 HD2 HIS 594 19.781 -2.917 -1.462 72 HE1 HIS 594 HE1 HIS 594 18.805 -6.859 -2.669 73 HE2 HIS 594 HE2 HIS 594 19.123 -5.304 -0.720 74 H VAL 595 H VAL 595 18.532 0.045 -2.893 75 HA VAL 595 HA VAL 595 16.304 -0.256 -4.780 76 HB VAL 595 HB VAL 595 15.829 0.099 -1.816 77 HG11 VAL 595 1HG1 VAL 595 13.977 -0.908 -3.963 78 HG12 VAL 595 2HG1 VAL 595 14.081 0.786 -3.483 79 HG13 VAL 595 3HG1 VAL 595 13.555 -0.435 -2.318 80 HG21 VAL 595 3HG2 VAL 595 15.215 -2.266 -1.656 81 HG22 VAL 595 1HG2 VAL 595 16.918 -2.067 -2.069 82 HG23 VAL 595 2HG2 VAL 595 15.755 -2.517 -3.315 83 H THR 596 H THR 596 15.598 1.763 -5.421 84 HA THR 596 HA THR 596 16.917 4.023 -4.177 85 HB THR 596 HB THR 596 16.973 3.992 -6.575 86 HG1 THR 596 HG1 THR 596 16.378 6.054 -6.877 87 HG21 THR 596 1HG2 THR 596 13.962 3.971 -6.521 88 HG22 THR 596 2HG2 THR 596 14.990 2.622 -6.989 89 HG23 THR 596 3HG2 THR 596 14.970 4.093 -7.960 90 H GLN 597 H GLN 597 15.715 5.958 -3.542 91 HA GLN 597 HA GLN 597 13.628 5.269 -1.755 92 HB2 GLN 597 1HB GLN 597 15.230 7.171 -1.440 93 HB3 GLN 597 2HB GLN 597 14.383 8.033 -2.714 94 HG2 GLN 597 1HG GLN 597 13.624 8.815 -0.579 95 HG3 GLN 597 2HG GLN 597 12.322 7.938 -1.379 96 HE21 GLN 597 1HE2 GLN 597 15.048 6.386 0.184 97 HE22 GLN 597 2HE2 GLN 597 14.150 5.700 1.481 98 H ASP 598 H ASP 598 13.733 6.807 -4.901 99 HA ASP 598 HA ASP 598 11.083 7.606 -5.176 100 HB2 ASP 598 1HB ASP 598 12.805 8.232 -6.794 101 HB3 ASP 598 2HB ASP 598 12.949 6.559 -7.317 102 H LEU 599 H LEU 599 12.562 4.458 -5.817 103 HA LEU 599 HA LEU 599 10.400 3.125 -6.919 104 HB2 LEU 599 1HB LEU 599 12.820 2.299 -6.560 105 HB3 LEU 599 2HB LEU 599 12.301 1.838 -4.948 106 HG LEU 599 HG LEU 599 10.569 0.377 -5.962 107 HD11 LEU 599 1HD1 LEU 599 10.247 1.501 -8.054 108 HD12 LEU 599 2HD1 LEU 599 10.790 -0.148 -8.369 109 HD13 LEU 599 3HD1 LEU 599 11.918 1.200 -8.518 110 HD21 LEU 599 3HD2 LEU 599 13.416 -0.127 -6.817 111 HD22 LEU 599 1HD2 LEU 599 12.137 -1.341 -6.785 112 HD23 LEU 599 2HD2 LEU 599 12.673 -0.588 -5.287 113 H ARG 600 H ARG 600 11.304 3.582 -3.561 114 HA ARG 600 HA ARG 600 9.346 1.894 -2.432 115 HB2 ARG 600 1HB ARG 600 10.747 4.246 -1.141 116 HB3 ARG 600 2HB ARG 600 9.973 2.905 -0.309 117 HG2 ARG 600 1HG ARG 600 11.629 1.370 -1.087 118 HG3 ARG 600 2HG ARG 600 12.334 2.583 -2.151 119 HD2 ARG 600 1HD ARG 600 12.670 3.937 0.033 120 HD3 ARG 600 2HD ARG 600 12.459 2.375 0.825 121 HE ARG 600 HE ARG 600 14.381 2.294 -1.296 122 HH11 ARG 600 1HH1 ARG 600 13.896 3.071 2.073 123 HH12 ARG 600 2HH1 ARG 600 15.565 2.854 2.503 124 HH21 ARG 600 1HH2 ARG 600 16.601 2.037 -0.753 125 HH22 ARG 600 2HH2 ARG 600 17.106 2.284 0.888 126 H SER 601 H SER 601 9.487 5.433 -2.830 127 HA SER 601 HA SER 601 6.958 5.903 -1.648 128 HB2 SER 601 1HB SER 601 7.200 8.168 -2.843 129 HB3 SER 601 2HB SER 601 8.424 7.741 -1.649 130 HG SER 601 HG SER 601 8.624 7.909 -4.433 131 H HIS 602 H HIS 602 8.021 5.388 -4.982 132 HA HIS 602 HA HIS 602 5.635 6.045 -6.291 133 HB2 HIS 602 1HB HIS 602 7.949 5.453 -7.295 134 HB3 HIS 602 2HB HIS 602 7.400 3.782 -7.209 135 HD1 HIS 602 HD1 HIS 602 7.721 6.257 -9.607 136 HD2 HIS 602 HD2 HIS 602 4.550 3.796 -8.533 137 HE1 HIS 602 HE1 HIS 602 6.216 6.180 -11.615 138 HE2 HIS 602 HE2 HIS 602 4.213 4.851 -10.871 139 H LEU 603 H LEU 603 6.767 2.971 -4.967 140 HA LEU 603 HA LEU 603 4.549 1.425 -5.726 141 HB2 LEU 603 1HB LEU 603 6.497 1.027 -3.461 142 HB3 LEU 603 2HB LEU 603 5.352 -0.175 -4.023 143 HG LEU 603 HG LEU 603 7.451 1.025 -5.821 144 HD11 LEU 603 1HD1 LEU 603 8.756 -0.996 -5.479 145 HD12 LEU 603 2HD1 LEU 603 7.598 -1.554 -4.273 146 HD13 LEU 603 3HD1 LEU 603 8.561 -0.109 -3.968 147 HD21 LEU 603 3HD2 LEU 603 5.553 0.036 -6.961 148 HD22 LEU 603 1HD2 LEU 603 5.743 -1.449 -6.030 149 HD23 LEU 603 2HD2 LEU 603 6.989 -0.962 -7.178 150 H VAL 604 H VAL 604 5.151 3.375 -2.849 151 HA VAL 604 HA VAL 604 3.018 2.448 -1.273 152 HB VAL 604 HB VAL 604 4.412 5.126 -1.373 153 HG11 VAL 604 1HG1 VAL 604 3.294 5.727 0.691 154 HG12 VAL 604 2HG1 VAL 604 2.376 4.221 0.663 155 HG13 VAL 604 3HG1 VAL 604 2.101 5.446 -0.577 156 HG21 VAL 604 3HG2 VAL 604 4.477 2.888 0.650 157 HG22 VAL 604 1HG2 VAL 604 5.402 4.387 0.726 158 HG23 VAL 604 2HG2 VAL 604 5.721 3.218 -0.557 159 H HIS 605 H HIS 605 3.194 4.970 -3.751 160 HA HIS 605 HA HIS 605 0.555 5.932 -3.418 161 HB2 HIS 605 1HB HIS 605 2.427 6.064 -5.778 162 HB3 HIS 605 2HB HIS 605 0.824 6.787 -5.803 163 HD1 HIS 605 HD1 HIS 605 4.207 7.181 -4.179 164 HD2 HIS 605 HD2 HIS 605 0.559 9.165 -4.434 165 HE1 HIS 605 HE1 HIS 605 4.603 9.458 -3.198 166 HE2 HIS 605 HE2 HIS 605 2.420 10.680 -3.469 167 H LYS 606 H LYS 606 1.922 3.350 -5.407 168 HA LYS 606 HA LYS 606 -0.371 2.770 -6.918 169 HB2 LYS 606 1HB LYS 606 1.902 1.010 -6.004 170 HB3 LYS 606 2HB LYS 606 0.621 0.438 -7.063 171 HG2 LYS 606 1HG LYS 606 1.233 2.227 -8.672 172 HG3 LYS 606 2HG LYS 606 2.602 2.630 -7.632 173 HD2 LYS 606 1HD LYS 606 3.545 0.437 -7.935 174 HD3 LYS 606 2HD LYS 606 2.120 -0.097 -8.829 175 HE2 LYS 606 1HE LYS 606 2.613 1.582 -10.561 176 HE3 LYS 606 2HE LYS 606 4.069 2.038 -9.679 177 HZ1 LYS 606 3HZ LYS 606 4.896 -0.222 -9.979 178 HZ2 LYS 606 1HZ LYS 606 4.585 0.518 -11.466 179 HZ3 LYS 606 2HZ LYS 606 3.509 -0.630 -10.853 180 H LEU 607 H LEU 607 0.676 1.637 -3.743 181 HA LEU 607 HA LEU 607 -1.412 -0.216 -3.345 182 HB2 LEU 607 1HB LEU 607 0.745 -0.040 -2.054 183 HB3 LEU 607 2HB LEU 607 0.056 1.337 -1.218 184 HG LEU 607 HG LEU 607 -1.439 -1.249 -1.171 185 HD11 LEU 607 1HD1 LEU 607 0.924 -0.607 0.590 186 HD12 LEU 607 2HD1 LEU 607 0.878 -1.857 -0.654 187 HD13 LEU 607 3HD1 LEU 607 -0.163 -1.986 0.763 188 HD21 LEU 607 3HD2 LEU 607 -2.048 -0.429 1.064 189 HD22 LEU 607 1HD2 LEU 607 -2.448 0.740 -0.195 190 HD23 LEU 607 2HD2 LEU 607 -1.025 0.983 0.815 191 H VAL 608 H VAL 608 -1.081 3.212 -2.443 192 HA VAL 608 HA VAL 608 -3.605 3.537 -1.256 193 HB VAL 608 HB VAL 608 -1.969 5.545 -2.823 194 HG11 VAL 608 1HG1 VAL 608 -4.166 6.031 -0.817 195 HG12 VAL 608 2HG1 VAL 608 -4.315 6.230 -2.561 196 HG13 VAL 608 3HG1 VAL 608 -3.214 7.260 -1.647 197 HG21 VAL 608 3HG2 VAL 608 -1.170 6.280 -0.625 198 HG22 VAL 608 1HG2 VAL 608 -0.731 4.604 -0.956 199 HG23 VAL 608 2HG2 VAL 608 -2.068 4.966 0.135 200 H GLN 609 H GLN 609 -2.527 3.891 -4.599 201 HA GLN 609 HA GLN 609 -4.931 4.748 -5.747 202 HB2 GLN 609 1HB GLN 609 -2.734 4.852 -6.847 203 HB3 GLN 609 2HB GLN 609 -2.717 3.102 -6.979 204 HG2 GLN 609 1HG GLN 609 -4.510 3.118 -8.532 205 HG3 GLN 609 2HG GLN 609 -4.822 4.831 -8.246 206 HE21 GLN 609 1HE2 GLN 609 -2.011 5.542 -8.199 207 HE22 GLN 609 2HE2 GLN 609 -1.472 5.493 -9.835 208 H ALA 610 H ALA 610 -3.682 1.510 -5.126 209 HA ALA 610 HA ALA 610 -5.692 0.013 -6.368 210 HB1 ALA 610 3HB ALA 610 -4.172 -0.672 -3.855 211 HB2 ALA 610 1HB ALA 610 -3.608 -0.951 -5.502 212 HB3 ALA 610 2HB ALA 610 -5.029 -1.805 -4.899 213 H ILE 611 H ILE 611 -5.545 1.504 -3.169 214 HA ILE 611 HA ILE 611 -8.053 0.391 -2.346 215 HB ILE 611 HB ILE 611 -6.234 2.506 -1.133 216 HG12 ILE 611 1HG1 ILE 611 -7.036 -0.013 0.326 217 HG13 ILE 611 2HG1 ILE 611 -5.830 -0.108 -0.970 218 HG21 ILE 611 1HG2 ILE 611 -8.869 1.599 0.029 219 HG22 ILE 611 2HG2 ILE 611 -8.489 3.202 -0.612 220 HG23 ILE 611 3HG2 ILE 611 -7.672 2.612 0.835 221 HD11 ILE 611 3HD1 ILE 611 -4.784 0.124 1.194 222 HD12 ILE 611 1HD1 ILE 611 -5.694 1.601 1.504 223 HD13 ILE 611 2HD1 ILE 611 -4.483 1.566 0.225 224 H PHE 612 H PHE 612 -7.014 3.310 -3.954 225 HA PHE 612 HA PHE 612 -9.779 4.138 -4.232 226 HB2 PHE 612 1HB PHE 612 -8.531 5.162 -2.100 227 HB3 PHE 612 2HB PHE 612 -7.919 6.268 -3.310 228 HD1 PHE 612 HD2 PHE 612 -11.247 4.684 -2.770 229 HD2 PHE 612 HD1 PHE 612 -9.022 8.274 -3.204 230 HE1 PHE 612 HE2 PHE 612 -13.331 5.981 -2.633 231 HE2 PHE 612 HE1 PHE 612 -11.101 9.583 -3.063 232 HZ PHE 612 HZ PHE 612 -13.260 8.436 -2.779 233 HA PRO 613 HA PRO 613 -7.329 4.884 -7.989 234 HB2 PRO 613 1HB PRO 613 -9.330 4.454 -9.778 235 HB3 PRO 613 2HB PRO 613 -8.460 3.136 -8.982 236 HG2 PRO 613 1HG PRO 613 -11.180 4.229 -8.430 237 HG3 PRO 613 2HG PRO 613 -10.589 2.566 -8.296 238 HD2 PRO 613 1HD PRO 613 -10.969 4.332 -6.160 239 HD3 PRO 613 2HD PRO 613 -9.962 2.861 -6.132 240 H THR 614 H THR 614 -10.533 6.339 -7.363 241 HA THR 614 HA THR 614 -10.096 8.444 -9.263 242 HB THR 614 HB THR 614 -12.214 9.404 -8.134 243 HG1 THR 614 HG1 THR 614 -12.560 8.348 -6.298 244 HG21 THR 614 1HG2 THR 614 -13.637 7.806 -9.337 245 HG22 THR 614 2HG2 THR 614 -12.281 6.686 -9.462 246 HG23 THR 614 3HG2 THR 614 -12.218 8.242 -10.289 247 HA PRO 615 HA PRO 615 -7.976 11.009 -6.191 248 HB2 PRO 615 1HB PRO 615 -7.072 12.636 -8.398 249 HB3 PRO 615 2HB PRO 615 -6.127 11.512 -7.406 250 HG2 PRO 615 1HG PRO 615 -6.652 11.082 -10.067 251 HG3 PRO 615 2HG PRO 615 -6.354 9.771 -8.899 252 HD2 PRO 615 1HD PRO 615 -8.977 10.852 -9.924 253 HD3 PRO 615 2HD PRO 615 -8.473 9.156 -9.723 254 H ASP 616 H ASP 616 -10.277 11.650 -5.719 255 HA ASP 616 HA ASP 616 -11.340 13.981 -7.020 256 HB2 ASP 616 1HB ASP 616 -12.867 12.421 -5.852 257 HB3 ASP 616 2HB ASP 616 -12.042 12.753 -4.329 258 HA PRO 617 HA PRO 617 -8.551 16.897 -5.266 259 HB2 PRO 617 1HB PRO 617 -10.227 19.121 -5.520 260 HB3 PRO 617 2HB PRO 617 -9.162 18.485 -6.781 261 HG2 PRO 617 1HG PRO 617 -12.085 18.047 -6.353 262 HG3 PRO 617 2HG PRO 617 -11.190 18.286 -7.871 263 HD2 PRO 617 1HD PRO 617 -12.007 15.855 -7.130 264 HD3 PRO 617 2HD PRO 617 -10.429 16.084 -7.926 265 H ALA 618 H ALA 618 -11.859 16.589 -4.027 266 HA ALA 618 HA ALA 618 -11.221 18.181 -1.686 267 HB1 ALA 618 3HB ALA 618 -13.527 17.720 -1.009 268 HB2 ALA 618 1HB ALA 618 -13.712 16.623 -2.376 269 HB3 ALA 618 2HB ALA 618 -13.457 18.346 -2.657 270 H ALA 619 H ALA 619 -12.222 14.833 -2.374 271 HA ALA 619 HA ALA 619 -11.731 13.700 0.102 272 HB1 ALA 619 3HB ALA 619 -11.574 11.575 -1.038 273 HB2 ALA 619 1HB ALA 619 -11.245 12.387 -2.567 274 HB3 ALA 619 2HB ALA 619 -12.823 12.560 -1.801 275 H LEU 620 H LEU 620 -9.475 14.704 -2.323 276 HA LEU 620 HA LEU 620 -7.191 13.258 -1.499 277 HB2 LEU 620 1HB LEU 620 -7.766 15.028 -3.510 278 HB3 LEU 620 2HB LEU 620 -6.740 16.000 -2.479 279 HG LEU 620 HG LEU 620 -5.432 14.975 -4.240 280 HD11 LEU 620 1HD1 LEU 620 -4.856 13.685 -1.580 281 HD12 LEU 620 2HD1 LEU 620 -4.321 15.282 -2.102 282 HD13 LEU 620 3HD1 LEU 620 -3.724 13.842 -2.922 283 HD21 LEU 620 3HD2 LEU 620 -5.191 12.575 -4.456 284 HD22 LEU 620 1HD2 LEU 620 -6.878 13.044 -4.659 285 HD23 LEU 620 2HD2 LEU 620 -6.340 12.320 -3.144 286 H LYS 621 H LYS 621 -8.774 16.111 -0.292 287 HA LYS 621 HA LYS 621 -6.568 16.645 1.577 288 HB2 LYS 621 1HB LYS 621 -9.021 18.337 1.002 289 HB3 LYS 621 2HB LYS 621 -7.613 18.808 1.946 290 HG2 LYS 621 1HG LYS 621 -6.227 18.622 -0.091 291 HG3 LYS 621 2HG LYS 621 -7.689 18.263 -1.013 292 HD2 LYS 621 1HD LYS 621 -8.629 20.436 -0.274 293 HD3 LYS 621 2HD LYS 621 -7.093 20.793 0.517 294 HE2 LYS 621 1HE LYS 621 -7.102 21.887 -1.608 295 HE3 LYS 621 2HE LYS 621 -5.975 20.535 -1.696 296 HZ1 LYS 621 3HZ LYS 621 -8.759 20.527 -2.725 297 HZ2 LYS 621 1HZ LYS 621 -7.673 19.235 -2.823 298 HZ3 LYS 621 2HZ LYS 621 -7.367 20.668 -3.668 299 H ASP 622 H ASP 622 -8.752 14.499 1.682 300 HA ASP 622 HA ASP 622 -10.124 15.284 4.154 301 HB2 ASP 622 1HB ASP 622 -11.633 14.499 2.440 302 HB3 ASP 622 2HB ASP 622 -10.667 13.051 2.173 303 H ARG 623 H ARG 623 -9.807 14.262 6.026 304 HA ARG 623 HA ARG 623 -7.391 13.051 6.601 305 HB2 ARG 623 1HB ARG 623 -9.996 13.028 8.115 306 HB3 ARG 623 2HB ARG 623 -8.502 12.369 8.767 307 HG2 ARG 623 1HG ARG 623 -7.447 14.560 8.579 308 HG3 ARG 623 2HG ARG 623 -8.938 15.228 7.918 309 HD2 ARG 623 1HD ARG 623 -10.105 14.668 9.993 310 HD3 ARG 623 2HD ARG 623 -8.613 13.996 10.650 311 HE ARG 623 HE ARG 623 -8.202 16.665 9.816 312 HH11 ARG 623 1HH1 ARG 623 -9.719 14.802 12.356 313 HH12 ARG 623 2HH1 ARG 623 -9.557 16.055 13.544 314 HH21 ARG 623 1HH2 ARG 623 -7.997 18.320 11.371 315 HH22 ARG 623 2HH2 ARG 623 -8.584 18.059 12.982 316 H ARG 624 H ARG 624 -10.485 11.530 5.806 317 HA ARG 624 HA ARG 624 -9.962 8.919 6.547 318 HB2 ARG 624 1HB ARG 624 -12.137 9.717 5.698 319 HB3 ARG 624 2HB ARG 624 -11.451 9.854 4.086 320 HG2 ARG 624 1HG ARG 624 -11.051 7.432 4.067 321 HG3 ARG 624 2HG ARG 624 -11.785 7.312 5.667 322 HD2 ARG 624 1HD ARG 624 -13.086 8.077 3.068 323 HD3 ARG 624 2HD ARG 624 -13.474 6.722 4.126 324 HE ARG 624 HE ARG 624 -14.039 9.555 4.709 325 HH11 ARG 624 1HH1 ARG 624 -14.705 6.145 5.203 326 HH12 ARG 624 2HH1 ARG 624 -16.110 6.440 6.179 327 HH21 ARG 624 1HH2 ARG 624 -15.886 9.938 5.968 328 HH22 ARG 624 2HH2 ARG 624 -16.790 8.601 6.606 329 H MET 625 H MET 625 -9.155 10.544 3.478 330 HA MET 625 HA MET 625 -7.976 8.252 2.328 331 HB2 MET 625 1HB MET 625 -8.673 10.059 0.873 332 HB3 MET 625 2HB MET 625 -7.532 11.162 1.631 333 HG2 MET 625 1HG MET 625 -5.666 9.708 0.854 334 HG3 MET 625 2HG MET 625 -6.855 8.724 -0.002 335 HE1 MET 625 3HE MET 625 -8.883 10.967 -1.215 336 HE2 MET 625 1HE MET 625 -8.267 9.508 -1.988 337 HE3 MET 625 2HE MET 625 -8.126 11.063 -2.804 338 H GLU 626 H GLU 626 -6.661 10.859 4.328 339 HA GLU 626 HA GLU 626 -3.946 10.225 3.864 340 HB2 GLU 626 1HB GLU 626 -5.219 11.650 6.203 341 HB3 GLU 626 2HB GLU 626 -3.498 11.632 5.831 342 HG2 GLU 626 1HG GLU 626 -4.028 12.703 3.649 343 HG3 GLU 626 2HG GLU 626 -5.701 12.847 4.182 344 H ASN 627 H ASN 627 -6.304 9.203 6.278 345 HA ASN 627 HA ASN 627 -4.575 7.761 7.958 346 HB2 ASN 627 1HB ASN 627 -7.511 7.510 7.344 347 HB3 ASN 627 2HB ASN 627 -6.710 6.380 8.429 348 HD21 ASN 627 1HD2 ASN 627 -5.672 9.690 8.290 349 HD22 ASN 627 2HD2 ASN 627 -6.323 10.169 9.818 350 H LEU 628 H LEU 628 -6.384 6.748 5.070 351 HA LEU 628 HA LEU 628 -5.462 4.040 5.200 352 HB2 LEU 628 1HB LEU 628 -6.627 3.637 3.234 353 HB3 LEU 628 2HB LEU 628 -7.541 4.964 3.916 354 HG LEU 628 HG LEU 628 -6.098 6.443 2.305 355 HD11 LEU 628 1HD1 LEU 628 -5.849 3.718 1.048 356 HD12 LEU 628 2HD1 LEU 628 -4.534 4.779 1.555 357 HD13 LEU 628 3HD1 LEU 628 -5.573 5.242 0.207 358 HD21 LEU 628 3HD2 LEU 628 -8.206 4.609 1.190 359 HD22 LEU 628 1HD2 LEU 628 -7.811 6.237 0.646 360 HD23 LEU 628 2HD2 LEU 628 -8.553 5.987 2.231 361 H VAL 629 H VAL 629 -4.231 6.968 3.652 362 HA VAL 629 HA VAL 629 -2.203 5.727 2.111 363 HB VAL 629 HB VAL 629 -2.304 8.512 3.295 364 HG11 VAL 629 1HG1 VAL 629 -0.437 7.365 1.222 365 HG12 VAL 629 2HG1 VAL 629 0.000 7.902 2.845 366 HG13 VAL 629 3HG1 VAL 629 -0.560 9.073 1.650 367 HG21 VAL 629 3HG2 VAL 629 -4.084 8.075 1.695 368 HG22 VAL 629 1HG2 VAL 629 -2.903 7.502 0.519 369 HG23 VAL 629 2HG2 VAL 629 -2.901 9.193 1.016 370 H ALA 630 H ALA 630 -2.308 6.979 5.415 371 HA ALA 630 HA ALA 630 0.328 6.575 6.157 372 HB1 ALA 630 3HB ALA 630 -0.552 6.373 8.475 373 HB2 ALA 630 1HB ALA 630 -2.185 6.334 7.809 374 HB3 ALA 630 2HB ALA 630 -1.178 7.764 7.591 375 H TYR 631 H TYR 631 -2.334 4.223 6.012 376 HA TYR 631 HA TYR 631 -0.903 2.105 7.218 377 HB2 TYR 631 1HB TYR 631 -3.392 2.025 6.873 378 HB3 TYR 631 2HB TYR 631 -3.093 1.760 5.154 379 HD1 TYR 631 HD1 TYR 631 -1.657 0.414 8.322 380 HD2 TYR 631 HD2 TYR 631 -3.418 -0.484 4.547 381 HE1 TYR 631 HE1 TYR 631 -1.360 -1.982 8.759 382 HE2 TYR 631 HE2 TYR 631 -3.132 -2.880 4.990 383 HH TYR 631 HH TYR 631 -2.380 -4.140 8.020 384 H ALA 632 H ALA 632 -1.065 3.290 3.906 385 HA ALA 632 HA ALA 632 0.213 1.140 2.630 386 HB1 ALA 632 3HB ALA 632 0.716 2.700 0.840 387 HB2 ALA 632 1HB ALA 632 0.380 4.066 1.904 388 HB3 ALA 632 2HB ALA 632 -0.921 2.976 1.428 389 H LYS 633 H LYS 633 1.516 4.018 4.274 390 HA LYS 633 HA LYS 633 4.237 3.473 3.783 391 HB2 LYS 633 1HB LYS 633 2.674 5.292 5.453 392 HB3 LYS 633 2HB LYS 633 4.151 4.760 6.238 393 HG2 LYS 633 1HG LYS 633 4.569 6.821 5.071 394 HG3 LYS 633 2HG LYS 633 5.430 5.509 4.261 395 HD2 LYS 633 1HD LYS 633 4.456 6.794 2.539 396 HD3 LYS 633 2HD LYS 633 3.446 5.356 2.696 397 HE2 LYS 633 1HE LYS 633 2.013 7.260 2.471 398 HE3 LYS 633 2HE LYS 633 1.897 6.675 4.128 399 HZ1 LYS 633 3HZ LYS 633 2.063 9.058 4.109 400 HZ2 LYS 633 1HZ LYS 633 3.484 9.001 3.192 401 HZ3 LYS 633 2HZ LYS 633 3.474 8.417 4.778 402 H LYS 634 H LYS 634 2.039 2.549 6.393 403 HA LYS 634 HA LYS 634 3.870 1.225 8.041 404 HB2 LYS 634 1HB LYS 634 0.972 0.510 7.543 405 HB3 LYS 634 2HB LYS 634 1.938 -0.016 8.914 406 HG2 LYS 634 1HG LYS 634 1.213 2.837 8.284 407 HG3 LYS 634 2HG LYS 634 0.429 1.818 9.491 408 HD2 LYS 634 1HD LYS 634 2.511 1.640 10.728 409 HD3 LYS 634 2HD LYS 634 3.345 2.582 9.493 410 HE2 LYS 634 1HE LYS 634 1.901 4.497 9.982 411 HE3 LYS 634 2HE LYS 634 1.076 3.553 11.222 412 HZ1 LYS 634 3HZ LYS 634 3.952 4.296 11.236 413 HZ2 LYS 634 1HZ LYS 634 3.171 3.376 12.418 414 HZ3 LYS 634 2HZ LYS 634 2.744 4.993 12.193 415 H VAL 635 H VAL 635 1.936 0.013 5.329 416 HA VAL 635 HA VAL 635 2.876 -2.577 5.181 417 HB VAL 635 HB VAL 635 2.042 -0.648 3.030 418 HG11 VAL 635 1HG1 VAL 635 2.130 -2.483 1.401 419 HG12 VAL 635 2HG1 VAL 635 2.928 -3.500 2.598 420 HG13 VAL 635 3HG1 VAL 635 3.736 -2.056 1.990 421 HG21 VAL 635 3HG2 VAL 635 0.865 -3.256 3.975 422 HG22 VAL 635 1HG2 VAL 635 0.139 -2.120 2.842 423 HG23 VAL 635 2HG2 VAL 635 0.356 -1.665 4.531 424 H GLU 636 H GLU 636 4.334 0.306 3.666 425 HA GLU 636 HA GLU 636 6.598 -0.909 2.609 426 HB2 GLU 636 1HB GLU 636 6.399 1.236 1.862 427 HB3 GLU 636 2HB GLU 636 5.787 1.828 3.395 428 HG2 GLU 636 1HG GLU 636 7.877 2.870 2.916 429 HG3 GLU 636 2HG GLU 636 8.066 1.793 4.293 430 H GLY 637 H GLY 637 6.079 0.493 5.835 431 HA2 GLY 637 1HA GLY 637 8.596 0.018 6.931 432 HA3 GLY 637 2HA GLY 637 7.102 0.022 7.856 433 H ASP 638 H ASP 638 5.781 -2.177 6.955 434 HA ASP 638 HA ASP 638 7.086 -4.308 8.251 435 HB2 ASP 638 1HB ASP 638 4.673 -4.257 8.107 436 HB3 ASP 638 2HB ASP 638 4.735 -4.332 6.349 437 H MET 639 H MET 639 6.636 -3.628 4.803 438 HA MET 639 HA MET 639 7.809 -6.027 3.850 439 HB2 MET 639 1HB MET 639 7.720 -3.366 2.399 440 HB3 MET 639 2HB MET 639 7.930 -4.951 1.667 441 HG2 MET 639 1HG MET 639 5.460 -3.967 3.088 442 HG3 MET 639 2HG MET 639 5.655 -4.077 1.336 443 HE1 MET 639 3HE MET 639 3.113 -6.925 2.013 444 HE2 MET 639 1HE MET 639 3.453 -5.414 1.169 445 HE3 MET 639 2HE MET 639 3.191 -5.412 2.916 446 H TYR 640 H TYR 640 9.099 -2.932 4.699 447 HA TYR 640 HA TYR 640 11.373 -2.775 3.226 448 HB2 TYR 640 1HB TYR 640 10.473 -1.021 4.814 449 HB3 TYR 640 2HB TYR 640 11.318 -1.868 6.104 450 HD1 TYR 640 HD1 TYR 640 12.430 -1.164 2.616 451 HD2 TYR 640 HD2 TYR 640 13.007 -0.365 6.764 452 HE1 TYR 640 HE1 TYR 640 14.450 0.120 2.088 453 HE2 TYR 640 HE2 TYR 640 15.033 0.914 6.237 454 HH TYR 640 HH TYR 640 16.661 1.168 4.514 455 H GLU 641 H GLU 641 11.078 -4.719 6.189 456 HA GLU 641 HA GLU 641 13.909 -5.159 6.418 457 HB2 GLU 641 1HB GLU 641 11.512 -6.492 7.612 458 HB3 GLU 641 2HB GLU 641 13.090 -7.285 7.741 459 HG2 GLU 641 1HG GLU 641 12.784 -5.994 9.758 460 HG3 GLU 641 2HG GLU 641 13.942 -5.087 8.776 461 H SER 642 H SER 642 11.270 -7.168 5.174 462 HA SER 642 HA SER 642 12.899 -9.202 4.091 463 HB2 SER 642 1HB SER 642 10.473 -9.442 4.605 464 HB3 SER 642 2HB SER 642 10.110 -8.401 3.231 465 HG SER 642 HG SER 642 10.052 -10.767 2.891 466 H ALA 643 H ALA 643 11.529 -6.266 2.736 467 HA ALA 643 HA ALA 643 12.053 -6.484 0.063 468 HB1 ALA 643 3HB ALA 643 10.741 -4.724 1.154 469 HB2 ALA 643 1HB ALA 643 11.880 -4.103 -0.040 470 HB3 ALA 643 2HB ALA 643 12.245 -3.965 1.679 471 H ASN 644 H ASN 644 14.510 -7.293 1.669 472 HA ASN 644 HA ASN 644 16.440 -5.303 0.719 473 HB2 ASN 644 1HB ASN 644 16.558 -6.429 3.052 474 HB3 ASN 644 2HB ASN 644 17.217 -7.827 2.211 475 HD21 ASN 644 1HD2 ASN 644 19.307 -7.345 0.857 476 HD22 ASN 644 2HD2 ASN 644 20.361 -6.102 1.460 477 H SER 645 H SER 645 14.760 -7.120 -0.946 478 HA SER 645 HA SER 645 16.864 -7.882 -2.774 479 HB2 SER 645 1HB SER 645 14.798 -9.898 -1.838 480 HB3 SER 645 2HB SER 645 15.951 -10.149 -3.147 481 HG SER 645 HG SER 645 16.297 -10.384 -0.458 482 H ARG 646 H ARG 646 16.192 -7.558 -4.891 483 HA ARG 646 HA ARG 646 14.118 -5.737 -5.238 484 HB2 ARG 646 1HB ARG 646 15.397 -7.503 -7.331 485 HB3 ARG 646 2HB ARG 646 14.425 -6.077 -7.666 486 HG2 ARG 646 1HG ARG 646 17.029 -6.093 -6.157 487 HG3 ARG 646 2HG ARG 646 16.823 -5.637 -7.846 488 HD2 ARG 646 1HD ARG 646 15.497 -4.281 -5.511 489 HD3 ARG 646 2HD ARG 646 16.944 -3.695 -6.326 490 HE ARG 646 HE ARG 646 14.441 -4.057 -7.831 491 HH11 ARG 646 1HH1 ARG 646 16.965 -1.961 -6.592 492 HH12 ARG 646 2HH1 ARG 646 16.485 -0.607 -7.567 493 HH21 ARG 646 1HH2 ARG 646 13.789 -2.264 -9.077 494 HH22 ARG 646 2HH2 ARG 646 14.686 -0.778 -8.980 495 H ASP 647 H ASP 647 14.170 -9.167 -6.148 496 HA ASP 647 HA ASP 647 11.575 -9.227 -7.243 497 HB2 ASP 647 1HB ASP 647 13.156 -10.961 -7.790 498 HB3 ASP 647 2HB ASP 647 13.304 -11.430 -6.099 499 H GLU 648 H GLU 648 12.797 -9.902 -4.019 500 HA GLU 648 HA GLU 648 10.451 -10.892 -2.853 501 HB2 GLU 648 1HB GLU 648 12.818 -10.798 -1.871 502 HB3 GLU 648 2HB GLU 648 12.447 -9.141 -1.411 503 HG2 GLU 648 1HG GLU 648 12.037 -10.454 0.488 504 HG3 GLU 648 2HG GLU 648 10.446 -10.066 -0.171 505 H TYR 649 H TYR 649 11.719 -7.599 -3.038 506 HA TYR 649 HA TYR 649 9.777 -6.278 -1.567 507 HB2 TYR 649 1HB TYR 649 11.990 -5.377 -2.470 508 HB3 TYR 649 2HB TYR 649 11.147 -5.096 -3.987 509 HD1 TYR 649 HD2 TYR 649 9.078 -4.561 -1.078 510 HD2 TYR 649 HD1 TYR 649 11.971 -2.734 -3.613 511 HE1 TYR 649 HE2 TYR 649 8.382 -2.345 -0.270 512 HE2 TYR 649 HE1 TYR 649 11.281 -0.518 -2.810 513 HH TYR 649 HH TYR 649 9.240 -0.070 -0.092 514 H TYR 650 H TYR 650 9.831 -6.868 -5.120 515 HA TYR 650 HA TYR 650 7.478 -5.497 -5.688 516 HB2 TYR 650 1HB TYR 650 8.751 -7.839 -7.104 517 HB3 TYR 650 2HB TYR 650 7.559 -6.759 -7.773 518 HD1 TYR 650 HD1 TYR 650 8.624 -4.119 -6.870 519 HD2 TYR 650 HD2 TYR 650 10.590 -7.533 -8.470 520 HE1 TYR 650 HE1 TYR 650 10.414 -2.674 -7.744 521 HE2 TYR 650 HE2 TYR 650 12.386 -6.102 -9.338 522 HH TYR 650 HH TYR 650 12.656 -3.715 -10.022 523 H HIS 651 H HIS 651 8.096 -8.839 -4.712 524 HA HIS 651 HA HIS 651 5.582 -9.859 -5.589 525 HB2 HIS 651 1HB HIS 651 7.654 -11.238 -5.236 526 HB3 HIS 651 2HB HIS 651 7.435 -11.032 -3.502 527 HD1 HIS 651 HD1 HIS 651 6.612 -13.264 -6.198 528 HD2 HIS 651 HD2 HIS 651 4.815 -12.154 -2.621 529 HE1 HIS 651 HE1 HIS 651 4.928 -15.064 -5.700 530 HE2 HIS 651 HE2 HIS 651 3.986 -14.460 -3.444 531 H LEU 652 H LEU 652 6.890 -8.807 -2.492 532 HA LEU 652 HA LEU 652 4.783 -9.546 -0.830 533 HB2 LEU 652 1HB LEU 652 6.619 -7.162 -0.595 534 HB3 LEU 652 2HB LEU 652 5.646 -7.822 0.704 535 HG LEU 652 HG LEU 652 7.857 -9.327 -0.694 536 HD11 LEU 652 1HD1 LEU 652 8.760 -7.428 0.519 537 HD12 LEU 652 2HD1 LEU 652 9.147 -8.935 1.349 538 HD13 LEU 652 3HD1 LEU 652 7.857 -7.898 1.958 539 HD21 LEU 652 3HD2 LEU 652 6.307 -9.923 1.823 540 HD22 LEU 652 1HD2 LEU 652 7.647 -10.873 1.184 541 HD23 LEU 652 2HD2 LEU 652 6.137 -10.760 0.281 542 H LEU 653 H LEU 653 5.389 -6.430 -2.409 543 HA LEU 653 HA LEU 653 3.013 -5.188 -1.562 544 HB2 LEU 653 1HB LEU 653 4.845 -4.638 -3.886 545 HB3 LEU 653 2HB LEU 653 3.467 -3.624 -3.498 546 HG LEU 653 HG LEU 653 5.414 -4.163 -1.320 547 HD11 LEU 653 1HD1 LEU 653 6.768 -2.221 -2.152 548 HD12 LEU 653 2HD1 LEU 653 5.948 -2.415 -3.702 549 HD13 LEU 653 3HD1 LEU 653 6.949 -3.715 -3.067 550 HD21 LEU 653 3HD2 LEU 653 4.860 -1.877 -0.722 551 HD22 LEU 653 1HD2 LEU 653 3.383 -2.811 -0.967 552 HD23 LEU 653 2HD2 LEU 653 3.936 -1.686 -2.212 553 H ALA 654 H ALA 654 3.787 -6.853 -4.627 554 HA ALA 654 HA ALA 654 1.412 -6.332 -5.977 555 HB1 ALA 654 3HB ALA 654 3.115 -8.814 -6.169 556 HB2 ALA 654 1HB ALA 654 3.400 -7.302 -7.030 557 HB3 ALA 654 2HB ALA 654 1.953 -8.252 -7.372 558 H GLU 655 H GLU 655 2.216 -9.046 -3.856 559 HA GLU 655 HA GLU 655 -0.182 -10.470 -4.055 560 HB2 GLU 655 1HB GLU 655 1.442 -11.668 -2.899 561 HB3 GLU 655 2HB GLU 655 1.921 -10.269 -1.933 562 HG2 GLU 655 1HG GLU 655 -0.157 -10.477 -0.647 563 HG3 GLU 655 2HG GLU 655 -0.601 -11.883 -1.610 564 H LYS 656 H LYS 656 0.701 -7.828 -1.881 565 HA LYS 656 HA LYS 656 -1.690 -7.886 -0.371 566 HB2 LYS 656 1HB LYS 656 0.266 -5.625 -0.785 567 HB3 LYS 656 2HB LYS 656 -0.987 -5.669 0.447 568 HG2 LYS 656 1HG LYS 656 1.392 -7.498 0.219 569 HG3 LYS 656 2HG LYS 656 1.124 -6.244 1.431 570 HD2 LYS 656 1HD LYS 656 -0.824 -7.482 2.267 571 HD3 LYS 656 2HD LYS 656 -0.534 -8.741 1.064 572 HE2 LYS 656 1HE LYS 656 1.360 -7.930 3.268 573 HE3 LYS 656 2HE LYS 656 0.344 -9.369 3.261 574 HZ1 LYS 656 3HZ LYS 656 2.433 -8.815 1.227 575 HZ2 LYS 656 1HZ LYS 656 1.560 -10.255 1.422 576 HZ3 LYS 656 2HZ LYS 656 2.679 -9.771 2.596 577 H ILE 657 H ILE 657 -0.713 -6.043 -3.234 578 HA ILE 657 HA ILE 657 -2.896 -4.267 -3.274 579 HB ILE 657 HB ILE 657 -1.230 -5.329 -5.580 580 HG12 ILE 657 1HG1 ILE 657 -1.063 -2.726 -4.036 581 HG13 ILE 657 2HG1 ILE 657 0.023 -4.095 -3.830 582 HG21 ILE 657 1HG2 ILE 657 -3.354 -4.472 -6.400 583 HG22 ILE 657 2HG2 ILE 657 -2.040 -3.375 -6.830 584 HG23 ILE 657 3HG2 ILE 657 -3.121 -2.977 -5.494 585 HD11 ILE 657 3HD1 ILE 657 -0.303 -2.465 -6.339 586 HD12 ILE 657 1HD1 ILE 657 0.791 -3.831 -6.130 587 HD13 ILE 657 2HD1 ILE 657 1.033 -2.358 -5.191 588 H TYR 658 H TYR 658 -2.403 -7.365 -4.962 589 HA TYR 658 HA TYR 658 -4.984 -7.421 -6.123 590 HB2 TYR 658 1HB TYR 658 -2.922 -8.851 -6.773 591 HB3 TYR 658 2HB TYR 658 -3.435 -9.931 -5.481 592 HD1 TYR 658 HD1 TYR 658 -5.517 -8.056 -7.961 593 HD2 TYR 658 HD2 TYR 658 -4.178 -11.866 -6.594 594 HE1 TYR 658 HE1 TYR 658 -7.069 -9.161 -9.507 595 HE2 TYR 658 HE2 TYR 658 -5.733 -12.965 -8.133 596 HH TYR 658 HH TYR 658 -7.808 -12.478 -9.316 597 H LYS 659 H LYS 659 -3.701 -8.599 -3.047 598 HA LYS 659 HA LYS 659 -5.869 -10.091 -2.174 599 HB2 LYS 659 1HB LYS 659 -3.522 -9.742 -1.146 600 HB3 LYS 659 2HB LYS 659 -4.232 -8.343 -0.357 601 HG2 LYS 659 1HG LYS 659 -4.299 -10.155 1.166 602 HG3 LYS 659 2HG LYS 659 -5.948 -9.846 0.621 603 HD2 LYS 659 1HD LYS 659 -5.673 -12.189 0.600 604 HD3 LYS 659 2HD LYS 659 -5.599 -11.684 -1.078 605 HE2 LYS 659 1HE LYS 659 -3.050 -11.898 0.444 606 HE3 LYS 659 2HE LYS 659 -3.853 -13.386 -0.046 607 HZ1 LYS 659 3HZ LYS 659 -2.243 -12.674 -1.684 608 HZ2 LYS 659 1HZ LYS 659 -3.034 -11.191 -1.871 609 HZ3 LYS 659 2HZ LYS 659 -3.803 -12.623 -2.330 610 H ILE 660 H ILE 660 -5.169 -6.634 -1.658 611 HA ILE 660 HA ILE 660 -7.562 -6.047 -0.303 612 HB ILE 660 HB ILE 660 -5.380 -4.483 -1.472 613 HG12 ILE 660 1HG1 ILE 660 -7.153 -3.990 0.917 614 HG13 ILE 660 2HG1 ILE 660 -5.742 -5.040 0.934 615 HG21 ILE 660 1HG2 ILE 660 -8.127 -3.239 -1.281 616 HG22 ILE 660 2HG2 ILE 660 -7.137 -3.386 -2.732 617 HG23 ILE 660 3HG2 ILE 660 -6.621 -2.335 -1.418 618 HD11 ILE 660 3HD1 ILE 660 -5.743 -2.089 0.354 619 HD12 ILE 660 1HD1 ILE 660 -4.325 -3.136 0.372 620 HD13 ILE 660 2HD1 ILE 660 -5.233 -2.858 1.858 621 H GLN 661 H GLN 661 -6.803 -6.099 -3.758 622 HA GLN 661 HA GLN 661 -9.240 -4.900 -4.594 623 HB2 GLN 661 1HB GLN 661 -7.370 -6.751 -6.103 624 HB3 GLN 661 2HB GLN 661 -8.778 -5.986 -6.816 625 HG2 GLN 661 1HG GLN 661 -7.792 -3.761 -6.232 626 HG3 GLN 661 2HG GLN 661 -6.338 -4.604 -5.710 627 HE21 GLN 661 1HE2 GLN 661 -6.745 -2.655 -7.838 628 HE22 GLN 661 2HE2 GLN 661 -6.195 -3.409 -9.292 629 H LYS 662 H LYS 662 -8.250 -8.168 -3.881 630 HA LYS 662 HA LYS 662 -10.564 -9.519 -4.773 631 HB2 LYS 662 1HB LYS 662 -8.469 -10.685 -4.327 632 HB3 LYS 662 2HB LYS 662 -8.537 -10.212 -2.638 633 HG2 LYS 662 1HG LYS 662 -10.581 -11.569 -2.375 634 HG3 LYS 662 2HG LYS 662 -10.411 -12.096 -4.052 635 HD2 LYS 662 1HD LYS 662 -8.228 -13.064 -3.533 636 HD3 LYS 662 2HD LYS 662 -8.372 -12.514 -1.864 637 HE2 LYS 662 1HE LYS 662 -8.927 -14.874 -2.041 638 HE3 LYS 662 2HE LYS 662 -10.342 -13.936 -1.570 639 HZ1 LYS 662 3HZ LYS 662 -9.758 -14.873 -4.325 640 HZ2 LYS 662 1HZ LYS 662 -11.139 -14.032 -3.833 641 HZ3 LYS 662 2HZ LYS 662 -10.855 -15.596 -3.263 642 H GLU 663 H GLU 663 -9.613 -8.052 -1.714 643 HA GLU 663 HA GLU 663 -11.841 -8.850 -0.182 644 HB2 GLU 663 1HB GLU 663 -10.037 -6.439 0.098 645 HB3 GLU 663 2HB GLU 663 -11.231 -6.920 1.292 646 HG2 GLU 663 1HG GLU 663 -8.821 -8.508 0.437 647 HG3 GLU 663 2HG GLU 663 -9.028 -7.641 1.957 648 H LEU 664 H LEU 664 -11.206 -5.941 -2.106 649 HA LEU 664 HA LEU 664 -13.471 -4.468 -1.463 650 HB2 LEU 664 1HB LEU 664 -12.140 -4.592 -4.172 651 HB3 LEU 664 2HB LEU 664 -13.190 -3.314 -3.596 652 HG LEU 664 HG LEU 664 -10.507 -3.991 -2.394 653 HD11 LEU 664 1HD1 LEU 664 -10.421 -3.115 -4.727 654 HD12 LEU 664 2HD1 LEU 664 -9.656 -2.076 -3.530 655 HD13 LEU 664 3HD1 LEU 664 -11.251 -1.667 -4.159 656 HD21 LEU 664 3HD2 LEU 664 -12.044 -2.971 -0.804 657 HD22 LEU 664 1HD2 LEU 664 -12.385 -1.671 -1.947 658 HD23 LEU 664 2HD2 LEU 664 -10.770 -1.838 -1.255 659 H GLU 665 H GLU 665 -13.063 -6.871 -4.056 660 HA GLU 665 HA GLU 665 -15.646 -6.545 -5.145 661 HB2 GLU 665 1HB GLU 665 -13.716 -8.865 -5.268 662 HB3 GLU 665 2HB GLU 665 -15.214 -8.795 -6.184 663 HG2 GLU 665 1HG GLU 665 -14.419 -6.770 -7.311 664 HG3 GLU 665 2HG GLU 665 -12.905 -6.877 -6.412 665 H GLU 666 H GLU 666 -14.346 -8.657 -2.648 666 HA GLU 666 HA GLU 666 -16.574 -10.371 -2.449 667 HB2 GLU 666 1HB GLU 666 -14.262 -10.812 -1.556 668 HB3 GLU 666 2HB GLU 666 -14.630 -9.705 -0.241 669 HG2 GLU 666 1HG GLU 666 -14.959 -11.977 0.481 670 HG3 GLU 666 2HG GLU 666 -16.511 -11.142 0.418 671 H LYS 667 H LYS 667 -15.647 -7.515 -0.513 672 HA LYS 667 HA LYS 667 -17.995 -7.628 1.079 673 HB2 LYS 667 1HB LYS 667 -17.399 -5.311 1.777 674 HB3 LYS 667 2HB LYS 667 -16.159 -6.521 2.045 675 HG2 LYS 667 1HG LYS 667 -15.025 -5.731 -0.012 676 HG3 LYS 667 2HG LYS 667 -16.224 -4.441 -0.120 677 HD2 LYS 667 1HD LYS 667 -14.094 -3.741 0.965 678 HD3 LYS 667 2HD LYS 667 -15.515 -3.524 1.986 679 HE2 LYS 667 1HE LYS 667 -13.920 -6.047 2.175 680 HE3 LYS 667 2HE LYS 667 -13.334 -4.589 2.966 681 HZ1 LYS 667 3HZ LYS 667 -15.076 -4.574 4.444 682 HZ2 LYS 667 1HZ LYS 667 -14.837 -6.239 4.248 683 HZ3 LYS 667 2HZ LYS 667 -16.104 -5.463 3.435 684 H ARG 668 H ARG 668 -17.222 -5.947 -1.929 685 HA ARG 668 HA ARG 668 -19.475 -4.304 -1.909 686 HB2 ARG 668 1HB ARG 668 -17.639 -5.184 -4.095 687 HB3 ARG 668 2HB ARG 668 -19.062 -4.218 -4.457 688 HG2 ARG 668 1HG ARG 668 -18.249 -2.441 -3.008 689 HG3 ARG 668 2HG ARG 668 -16.840 -3.418 -2.584 690 HD2 ARG 668 1HD ARG 668 -16.103 -3.394 -4.895 691 HD3 ARG 668 2HD ARG 668 -17.537 -2.488 -5.369 692 HE ARG 668 HE ARG 668 -16.388 -0.893 -3.509 693 HH11 ARG 668 1HH1 ARG 668 -15.194 -2.456 -6.403 694 HH12 ARG 668 2HH1 ARG 668 -14.030 -1.213 -6.752 695 HH21 ARG 668 1HH2 ARG 668 -14.842 0.747 -3.964 696 HH22 ARG 668 2HH2 ARG 668 -13.822 0.596 -5.360 697 H ARG 669 H ARG 669 -19.269 -7.520 -2.209 698 HA ARG 669 HA ARG 669 -21.308 -8.453 -3.721 699 HB2 ARG 669 1HB ARG 669 -19.920 -9.740 -2.072 700 HB3 ARG 669 2HB ARG 669 -20.975 -9.143 -0.803 701 HG2 ARG 669 1HG ARG 669 -22.859 -10.297 -1.781 702 HG3 ARG 669 2HG ARG 669 -21.853 -10.838 -3.127 703 HD2 ARG 669 1HD ARG 669 -22.066 -12.625 -1.522 704 HD3 ARG 669 2HD ARG 669 -20.407 -12.033 -1.523 705 HE ARG 669 HE ARG 669 -22.383 -11.241 0.521 706 HH11 ARG 669 1HH1 ARG 669 -19.131 -12.229 -0.378 707 HH12 ARG 669 2HH1 ARG 669 -18.565 -12.251 1.260 708 HH21 ARG 669 1HH2 ARG 669 -21.616 -11.262 2.666 709 HH22 ARG 669 2HH2 ARG 669 -19.967 -11.702 2.986 710 H SER 670 H SER 670 -21.614 -6.540 -0.787 711 HA SER 670 HA SER 670 -24.411 -6.092 -1.555 712 HB2 SER 670 1HB SER 670 -24.327 -7.336 0.569 713 HB3 SER 670 2HB SER 670 -23.357 -6.070 1.300 714 HG SER 670 HG SER 670 -25.563 -5.835 1.810 715 H ARG 671 H ARG 671 -21.432 -4.630 -0.252 716 HA ARG 671 HA ARG 671 -20.518 -2.598 -0.571 717 HB2 ARG 671 1HB ARG 671 -20.745 -1.539 -2.714 718 HB3 ARG 671 2HB ARG 671 -20.705 -3.274 -2.945 719 HG2 ARG 671 1HG ARG 671 -23.151 -3.271 -3.222 720 HG3 ARG 671 2HG ARG 671 -23.141 -1.514 -3.063 721 HD2 ARG 671 1HD ARG 671 -21.823 -3.162 -5.212 722 HD3 ARG 671 2HD ARG 671 -23.195 -2.071 -5.395 723 HE ARG 671 HE ARG 671 -21.208 -0.480 -4.425 724 HH11 ARG 671 1HH1 ARG 671 -21.566 -2.588 -7.189 725 HH12 ARG 671 2HH1 ARG 671 -20.417 -1.723 -8.162 726 HH21 ARG 671 1HH2 ARG 671 -19.695 0.671 -5.701 727 HH22 ARG 671 2HH2 ARG 671 -19.360 0.137 -7.318 728 H LEU 672 H LEU 672 -22.362 -2.515 1.300 729 HA LEU 672 HA LEU 672 -24.042 -0.176 0.801 730 HB2 LEU 672 1HB LEU 672 -23.926 -2.083 3.146 731 HB3 LEU 672 2HB LEU 672 -25.041 -0.735 3.023 732 HG LEU 672 HG LEU 672 -24.965 -3.135 1.188 733 HD11 LEU 672 1HD1 LEU 672 -27.094 -3.709 2.231 734 HD12 LEU 672 2HD1 LEU 672 -26.929 -2.337 3.324 735 HD13 LEU 672 3HD1 LEU 672 -25.785 -3.675 3.412 736 HD21 LEU 672 3HD2 LEU 672 -26.825 -0.765 1.275 737 HD22 LEU 672 1HD2 LEU 672 -27.077 -2.216 0.308 738 HD23 LEU 672 2HD2 LEU 672 -25.695 -1.174 -0.014 739 H1 ASP 840 1H ASP 840 2.046 -9.789 12.191 740 HA ASP 840 HA ASP 840 2.089 -12.697 11.821 741 HB2 ASP 840 1HB ASP 840 1.759 -11.274 14.490 742 HB3 ASP 840 2HB ASP 840 1.644 -13.012 14.230 743 H ALA 841 H ALA 841 0.441 -10.259 10.960 744 HA ALA 841 HA ALA 841 -2.158 -11.027 12.108 745 HB1 ALA 841 3HB ALA 841 -1.528 -8.676 12.380 746 HB2 ALA 841 1HB ALA 841 -2.959 -8.851 11.363 747 HB3 ALA 841 2HB ALA 841 -1.390 -8.512 10.630 748 H GLY 842 H GLY 842 -0.454 -12.116 9.739 749 HA2 GLY 842 1HA GLY 842 -1.323 -13.519 8.072 750 HA3 GLY 842 2HA GLY 842 -2.795 -12.558 8.056 751 H ASN 843 H ASN 843 -1.459 -13.357 5.768 752 HA ASN 843 HA ASN 843 0.021 -11.074 4.761 753 HB2 ASN 843 1HB ASN 843 -0.934 -13.594 3.379 754 HB3 ASN 843 2HB ASN 843 0.084 -12.366 2.636 755 HD21 ASN 843 1HD2 ASN 843 1.617 -11.909 5.088 756 HD22 ASN 843 2HD2 ASN 843 2.662 -13.272 5.247 757 H ILE 844 H ILE 844 -2.889 -11.097 5.607 758 HA ILE 844 HA ILE 844 -4.026 -9.933 3.147 759 HB ILE 844 HB ILE 844 -5.658 -10.975 5.482 760 HG12 ILE 844 1HG1 ILE 844 -5.053 -12.374 2.862 761 HG13 ILE 844 2HG1 ILE 844 -4.360 -12.816 4.419 762 HG21 ILE 844 1HG2 ILE 844 -7.493 -10.909 3.849 763 HG22 ILE 844 2HG2 ILE 844 -6.391 -10.241 2.649 764 HG23 ILE 844 3HG2 ILE 844 -6.774 -9.319 4.101 765 HD11 ILE 844 3HD1 ILE 844 -6.185 -14.294 3.808 766 HD12 ILE 844 1HD1 ILE 844 -7.279 -12.916 3.693 767 HD13 ILE 844 2HD1 ILE 844 -6.588 -13.364 5.251 768 H LEU 845 H LEU 845 -5.004 -7.888 3.333 769 HA LEU 845 HA LEU 845 -4.026 -6.377 5.610 770 HB2 LEU 845 1HB LEU 845 -5.378 -5.362 3.107 771 HB3 LEU 845 2HB LEU 845 -4.516 -4.401 4.294 772 HG LEU 845 HG LEU 845 -2.606 -6.223 3.527 773 HD11 LEU 845 1HD1 LEU 845 -4.257 -6.919 1.727 774 HD12 LEU 845 2HD1 LEU 845 -2.622 -6.514 1.216 775 HD13 LEU 845 3HD1 LEU 845 -3.928 -5.351 0.982 776 HD21 LEU 845 3HD2 LEU 845 -1.708 -4.324 2.149 777 HD22 LEU 845 1HD2 LEU 845 -2.101 -3.930 3.822 778 HD23 LEU 845 2HD2 LEU 845 -3.193 -3.451 2.525 779 HA PRO 846 HA PRO 846 -7.573 -6.274 8.094 780 HB2 PRO 846 1HB PRO 846 -7.160 -3.312 8.055 781 HB3 PRO 846 2HB PRO 846 -7.431 -4.391 9.429 782 HG2 PRO 846 1HG PRO 846 -4.989 -3.522 8.888 783 HG3 PRO 846 2HG PRO 846 -5.251 -5.204 9.386 784 HD2 PRO 846 1HD PRO 846 -4.643 -4.097 6.691 785 HD3 PRO 846 2HD PRO 846 -4.170 -5.646 7.411 786 H SER 847 H SER 847 -9.554 -6.518 7.536 787 HA SER 847 HA SER 847 -10.869 -5.587 5.293 788 HB2 SER 847 1HB SER 847 -12.957 -6.206 6.648 789 HB3 SER 847 2HB SER 847 -11.756 -7.473 6.397 790 HG SER 847 HG SER 847 -12.554 -7.249 8.600 791 H ASP 848 H ASP 848 -10.571 -4.194 8.472 792 HA ASP 848 HA ASP 848 -12.677 -2.415 8.554 793 HB2 ASP 848 1HB ASP 848 -11.253 -2.819 10.489 794 HB3 ASP 848 2HB ASP 848 -9.895 -2.028 9.691 795 H ILE 849 H ILE 849 -9.433 -1.809 7.143 796 HA ILE 849 HA ILE 849 -9.976 0.914 6.552 797 HB ILE 849 HB ILE 849 -7.994 -0.834 5.073 798 HG12 ILE 849 1HG1 ILE 849 -7.592 -0.933 7.503 799 HG13 ILE 849 2HG1 ILE 849 -6.327 -0.021 6.690 800 HG21 ILE 849 1HG2 ILE 849 -6.852 1.337 4.685 801 HG22 ILE 849 2HG2 ILE 849 -8.204 2.158 5.457 802 HG23 ILE 849 3HG2 ILE 849 -8.456 1.270 3.955 803 HD11 ILE 849 3HD1 ILE 849 -7.385 2.070 7.409 804 HD12 ILE 849 1HD1 ILE 849 -6.955 1.039 8.774 805 HD13 ILE 849 2HD1 ILE 849 -8.632 1.141 8.242 806 H MET 850 H MET 850 -10.333 -2.062 4.702 807 HA MET 850 HA MET 850 -11.177 -0.911 2.279 808 HB2 MET 850 1HB MET 850 -11.699 -3.590 3.547 809 HB3 MET 850 2HB MET 850 -12.394 -3.157 1.994 810 HG2 MET 850 1HG MET 850 -10.376 -4.508 1.793 811 HG3 MET 850 2HG MET 850 -10.214 -2.938 1.017 812 HE1 MET 850 3HE MET 850 -7.345 -1.257 2.722 813 HE2 MET 850 1HE MET 850 -9.037 -0.820 2.478 814 HE3 MET 850 2HE MET 850 -8.141 -1.627 1.191 815 H ASP 851 H ASP 851 -13.012 -2.004 5.113 816 HA ASP 851 HA ASP 851 -15.549 -1.151 4.200 817 HB2 ASP 851 1HB ASP 851 -14.376 -1.649 6.937 818 HB3 ASP 851 2HB ASP 851 -15.966 -0.898 6.784 819 H PHE 852 H PHE 852 -12.965 0.546 5.875 820 HA PHE 852 HA PHE 852 -14.292 2.908 6.517 821 HB2 PHE 852 1HB PHE 852 -12.005 2.138 7.280 822 HB3 PHE 852 2HB PHE 852 -11.383 2.675 5.727 823 HD1 PHE 852 HD1 PHE 852 -13.884 4.324 7.944 824 HD2 PHE 852 HD2 PHE 852 -9.975 4.426 6.259 825 HE1 PHE 852 HE1 PHE 852 -13.535 6.569 8.888 826 HE2 PHE 852 HE2 PHE 852 -9.625 6.670 7.191 827 HZ PHE 852 HZ PHE 852 -11.405 7.745 8.513 828 H VAL 853 H VAL 853 -12.425 2.109 3.556 829 HA VAL 853 HA VAL 853 -13.048 4.559 2.270 830 HB VAL 853 HB VAL 853 -11.172 3.378 1.394 831 HG11 VAL 853 1HG1 VAL 853 -13.032 1.115 0.688 832 HG12 VAL 853 2HG1 VAL 853 -11.810 1.091 1.957 833 HG13 VAL 853 3HG1 VAL 853 -11.322 1.223 0.267 834 HG21 VAL 853 3HG2 VAL 853 -13.466 3.331 -0.555 835 HG22 VAL 853 1HG2 VAL 853 -11.768 3.203 -1.005 836 HG23 VAL 853 2HG2 VAL 853 -12.370 4.675 -0.239 837 H LEU 854 H LEU 854 -14.639 1.393 2.234 838 HA LEU 854 HA LEU 854 -16.535 1.945 0.253 839 HB2 LEU 854 1HB LEU 854 -16.315 -0.006 2.467 840 HB3 LEU 854 2HB LEU 854 -17.928 0.276 1.852 841 HG LEU 854 HG LEU 854 -16.657 -1.691 0.867 842 HD11 LEU 854 1HD1 LEU 854 -17.666 0.392 -1.068 843 HD12 LEU 854 2HD1 LEU 854 -18.659 -0.773 -0.193 844 HD13 LEU 854 3HD1 LEU 854 -17.489 -1.331 -1.385 845 HD21 LEU 854 3HD2 LEU 854 -15.088 -1.205 -0.942 846 HD22 LEU 854 1HD2 LEU 854 -14.484 -0.633 0.614 847 HD23 LEU 854 2HD2 LEU 854 -15.162 0.513 -0.546 848 H LYS 855 H LYS 855 -16.529 2.721 3.697 849 HA LYS 855 HA LYS 855 -19.281 3.702 3.531 850 HB2 LYS 855 1HB LYS 855 -18.472 2.327 5.483 851 HB3 LYS 855 2HB LYS 855 -17.445 3.676 5.937 852 HG2 LYS 855 1HG LYS 855 -19.506 3.612 7.271 853 HG3 LYS 855 2HG LYS 855 -19.396 5.080 6.298 854 HD2 LYS 855 1HD LYS 855 -21.653 4.148 6.256 855 HD3 LYS 855 2HD LYS 855 -20.920 4.120 4.655 856 HE2 LYS 855 1HE LYS 855 -20.390 1.758 4.923 857 HE3 LYS 855 2HE LYS 855 -21.069 1.779 6.549 858 HZ1 LYS 855 3HZ LYS 855 -23.221 2.151 5.689 859 HZ2 LYS 855 1HZ LYS 855 -22.560 0.892 4.772 860 HZ3 LYS 855 2HZ LYS 855 -22.640 2.455 4.132 861 H ASN 856 H ASN 856 -17.233 5.093 2.019 862 HA ASN 856 HA ASN 856 -16.917 7.616 3.473 863 HB2 ASN 856 1HB ASN 856 -15.441 8.316 1.743 864 HB3 ASN 856 2HB ASN 856 -15.042 6.634 2.068 865 HD21 ASN 856 1HD2 ASN 856 -14.540 8.233 -0.302 866 HD22 ASN 856 2HD2 ASN 856 -15.302 7.401 -1.616 867 H THR 857 H THR 857 -17.521 9.642 2.392 868 HA THR 857 HA THR 857 -19.483 9.517 0.276 869 HB THR 857 HB THR 857 -20.305 10.767 2.908 870 HG1 THR 857 HG1 THR 857 -20.503 8.155 1.983 871 HG21 THR 857 1HG2 THR 857 -21.847 10.121 0.390 872 HG22 THR 857 2HG2 THR 857 -21.362 11.729 0.925 873 HG23 THR 857 3HG2 THR 857 -22.532 10.803 1.864 874 HA PRO 858 HA PRO 858 -16.640 13.199 0.384 875 HB2 PRO 858 1HB PRO 858 -16.408 12.696 -2.492 876 HB3 PRO 858 2HB PRO 858 -15.140 12.798 -1.269 877 HG2 PRO 858 1HG PRO 858 -15.819 10.468 -2.449 878 HG3 PRO 858 2HG PRO 858 -15.254 10.557 -0.770 879 HD2 PRO 858 1HD PRO 858 -18.050 10.289 -1.816 880 HD3 PRO 858 2HD PRO 858 -17.281 9.476 -0.436 Start of MODEL 4 1 H1 GLY 586 1H GLY 586 31.564 -7.917 4.574 2 HA2 GLY 586 1HA GLY 586 30.311 -9.575 2.650 3 HA3 GLY 586 2HA GLY 586 30.535 -9.918 4.354 4 H VAL 587 H VAL 587 29.171 -7.911 5.434 5 HA VAL 587 HA VAL 587 26.708 -8.720 5.979 6 HB VAL 587 HB VAL 587 25.933 -6.451 6.444 7 HG11 VAL 587 1HG1 VAL 587 27.722 -5.821 7.994 8 HG12 VAL 587 2HG1 VAL 587 28.818 -6.928 7.169 9 HG13 VAL 587 3HG1 VAL 587 27.408 -7.556 8.021 10 HG21 VAL 587 3HG2 VAL 587 27.379 -4.520 5.946 11 HG22 VAL 587 1HG2 VAL 587 26.768 -5.293 4.483 12 HG23 VAL 587 2HG2 VAL 587 28.432 -5.570 4.999 13 H ARG 588 H ARG 588 24.590 -8.640 5.209 14 HA ARG 588 HA ARG 588 24.489 -8.246 2.304 15 HB2 ARG 588 1HB ARG 588 22.820 -10.013 2.225 16 HB3 ARG 588 2HB ARG 588 24.258 -10.586 3.050 17 HG2 ARG 588 1HG ARG 588 22.583 -11.460 4.356 18 HG3 ARG 588 2HG ARG 588 22.949 -9.966 5.214 19 HD2 ARG 588 1HD ARG 588 21.060 -8.871 4.107 20 HD3 ARG 588 2HD ARG 588 20.697 -10.367 3.249 21 HE ARG 588 HE ARG 588 20.742 -10.561 6.141 22 HH11 ARG 588 1HH1 ARG 588 18.796 -10.045 3.273 23 HH12 ARG 588 2HH1 ARG 588 17.312 -10.523 4.041 24 HH21 ARG 588 1HH2 ARG 588 18.787 -11.153 7.158 25 HH22 ARG 588 2HH2 ARG 588 17.309 -11.162 6.249 26 H LYS 589 H LYS 589 23.353 -6.877 5.159 27 HA LYS 589 HA LYS 589 20.818 -6.099 3.923 28 HB2 LYS 589 1HB LYS 589 20.381 -6.811 6.120 29 HB3 LYS 589 2HB LYS 589 21.828 -6.037 6.765 30 HG2 LYS 589 1HG LYS 589 19.729 -4.285 5.620 31 HG3 LYS 589 2HG LYS 589 19.362 -5.109 7.135 32 HD2 LYS 589 1HD LYS 589 21.521 -4.193 8.039 33 HD3 LYS 589 2HD LYS 589 21.645 -3.222 6.571 34 HE2 LYS 589 1HE LYS 589 20.681 -1.881 8.320 35 HE3 LYS 589 2HE LYS 589 19.448 -2.213 7.105 36 HZ1 LYS 589 3HZ LYS 589 18.569 -2.471 9.333 37 HZ2 LYS 589 1HZ LYS 589 19.755 -3.620 9.707 38 HZ3 LYS 589 2HZ LYS 589 18.578 -3.967 8.543 39 H GLY 590 H GLY 590 20.705 -4.305 2.862 40 HA2 GLY 590 1HA GLY 590 21.807 -1.839 3.540 41 HA3 GLY 590 2HA GLY 590 22.892 -2.634 2.397 42 H TRP 591 H TRP 591 19.485 -1.872 2.896 43 HA TRP 591 HA TRP 591 18.572 -2.566 0.374 44 HB2 TRP 591 1HB TRP 591 17.408 -0.502 2.249 45 HB3 TRP 591 2HB TRP 591 16.544 -1.429 1.018 46 HD1 TRP 591 HD1 TRP 591 17.115 -4.254 1.422 47 HE1 TRP 591 HE1 TRP 591 16.759 -5.539 3.589 48 HE3 TRP 591 HE3 TRP 591 17.104 -0.327 4.665 49 HZ2 TRP 591 HZ2 TRP 591 16.468 -4.966 6.363 50 HZ3 TRP 591 HZ3 TRP 591 16.777 -0.775 7.059 51 HH2 TRP 591 HH2 TRP 591 16.466 -3.046 7.888 52 H HIS 592 H HIS 592 19.779 0.512 1.588 53 HA HIS 592 HA HIS 592 18.705 2.113 -0.454 54 HB2 HIS 592 1HB HIS 592 20.947 2.579 1.495 55 HB3 HIS 592 2HB HIS 592 20.543 3.767 0.263 56 HD1 HIS 592 HD1 HIS 592 20.231 4.201 3.369 57 HD2 HIS 592 HD2 HIS 592 17.180 3.184 0.739 58 HE1 HIS 592 HE1 HIS 592 18.107 4.969 4.468 59 HE2 HIS 592 HE2 HIS 592 16.273 4.148 2.961 60 H GLU 593 H GLU 593 21.419 -0.013 -0.614 61 HA GLU 593 HA GLU 593 22.635 1.497 -2.776 62 HB2 GLU 593 1HB GLU 593 24.457 -0.049 -2.633 63 HB3 GLU 593 2HB GLU 593 23.980 0.447 -1.017 64 HG2 GLU 593 1HG GLU 593 24.129 -1.719 -0.555 65 HG3 GLU 593 2HG GLU 593 22.522 -1.792 -1.272 66 H HIS 594 H HIS 594 20.339 -0.990 -2.547 67 HA HIS 594 HA HIS 594 20.503 -1.330 -5.458 68 HB2 HIS 594 1HB HIS 594 19.825 -3.715 -5.287 69 HB3 HIS 594 2HB HIS 594 21.436 -3.397 -4.648 70 HD1 HIS 594 HD1 HIS 594 21.826 -3.841 -2.186 71 HD2 HIS 594 HD2 HIS 594 17.901 -4.491 -3.384 72 HE1 HIS 594 HE1 HIS 594 20.728 -5.058 -0.278 73 HE2 HIS 594 HE2 HIS 594 18.476 -5.727 -1.188 74 H VAL 595 H VAL 595 18.857 0.026 -3.292 75 HA VAL 595 HA VAL 595 16.348 -0.269 -4.774 76 HB VAL 595 HB VAL 595 16.556 -0.107 -1.756 77 HG11 VAL 595 1HG1 VAL 595 14.836 1.429 -2.376 78 HG12 VAL 595 2HG1 VAL 595 14.044 -0.041 -1.811 79 HG13 VAL 595 3HG1 VAL 595 14.151 0.297 -3.541 80 HG21 VAL 595 3HG2 VAL 595 16.718 -2.367 -2.625 81 HG22 VAL 595 1HG2 VAL 595 15.248 -2.131 -3.570 82 HG23 VAL 595 2HG2 VAL 595 15.171 -2.140 -1.808 83 H THR 596 H THR 596 15.477 1.654 -5.321 84 HA THR 596 HA THR 596 17.057 4.003 -4.636 85 HB THR 596 HB THR 596 16.792 3.677 -6.991 86 HG1 THR 596 HG1 THR 596 15.853 5.636 -7.556 87 HG21 THR 596 1HG2 THR 596 14.594 3.603 -8.086 88 HG22 THR 596 2HG2 THR 596 13.822 3.588 -6.502 89 HG23 THR 596 3HG2 THR 596 14.840 2.240 -6.998 90 H GLN 597 H GLN 597 16.053 5.951 -3.951 91 HA GLN 597 HA GLN 597 14.147 5.688 -1.940 92 HB2 GLN 597 1HB GLN 597 15.725 7.573 -2.118 93 HB3 GLN 597 2HB GLN 597 14.869 8.158 -3.537 94 HG2 GLN 597 1HG GLN 597 14.217 9.470 -1.662 95 HG3 GLN 597 2HG GLN 597 12.853 8.462 -2.134 96 HE21 GLN 597 1HE2 GLN 597 13.442 9.751 0.405 97 HE22 GLN 597 2HE2 GLN 597 13.462 8.501 1.585 98 H ASP 598 H ASP 598 13.836 6.592 -5.298 99 HA ASP 598 HA ASP 598 11.165 7.390 -5.357 100 HB2 ASP 598 1HB ASP 598 12.626 7.827 -7.228 101 HB3 ASP 598 2HB ASP 598 12.854 6.108 -7.510 102 H LEU 599 H LEU 599 12.577 4.148 -5.592 103 HA LEU 599 HA LEU 599 10.397 2.747 -6.537 104 HB2 LEU 599 1HB LEU 599 12.779 1.934 -6.107 105 HB3 LEU 599 2HB LEU 599 12.297 1.684 -4.440 106 HG LEU 599 HG LEU 599 10.515 0.128 -5.267 107 HD11 LEU 599 1HD1 LEU 599 10.777 -0.724 -7.567 108 HD12 LEU 599 2HD1 LEU 599 11.957 0.554 -7.873 109 HD13 LEU 599 3HD1 LEU 599 10.284 0.968 -7.506 110 HD21 LEU 599 3HD2 LEU 599 12.618 -0.739 -4.402 111 HD22 LEU 599 1HD2 LEU 599 13.370 -0.546 -5.985 112 HD23 LEU 599 2HD2 LEU 599 12.070 -1.716 -5.763 113 H ARG 600 H ARG 600 11.315 3.280 -3.152 114 HA ARG 600 HA ARG 600 9.150 1.990 -1.988 115 HB2 ARG 600 1HB ARG 600 10.756 4.316 -0.928 116 HB3 ARG 600 2HB ARG 600 9.620 3.378 0.034 117 HG2 ARG 600 1HG ARG 600 10.979 1.342 -0.562 118 HG3 ARG 600 2HG ARG 600 12.187 2.449 -1.218 119 HD2 ARG 600 1HD ARG 600 11.150 2.507 1.610 120 HD3 ARG 600 2HD ARG 600 12.652 1.734 1.110 121 HE ARG 600 HE ARG 600 12.819 4.343 0.232 122 HH11 ARG 600 1HH1 ARG 600 12.350 2.758 3.309 123 HH12 ARG 600 2HH1 ARG 600 13.220 3.960 4.206 124 HH21 ARG 600 1HH2 ARG 600 13.954 5.943 1.412 125 HH22 ARG 600 2HH2 ARG 600 14.122 5.772 3.135 126 H SER 601 H SER 601 9.441 5.488 -2.708 127 HA SER 601 HA SER 601 6.870 6.129 -1.756 128 HB2 SER 601 1HB SER 601 7.211 8.210 -3.251 129 HB3 SER 601 2HB SER 601 8.356 7.937 -1.939 130 HG SER 601 HG SER 601 8.756 7.903 -4.654 131 H HIS 602 H HIS 602 8.062 5.180 -4.931 132 HA HIS 602 HA HIS 602 5.755 5.618 -6.444 133 HB2 HIS 602 1HB HIS 602 8.090 4.862 -7.226 134 HB3 HIS 602 2HB HIS 602 7.544 3.228 -6.860 135 HD1 HIS 602 HD1 HIS 602 7.567 5.703 -9.496 136 HD2 HIS 602 HD2 HIS 602 5.160 2.485 -8.441 137 HE1 HIS 602 HE1 HIS 602 6.272 5.125 -11.567 138 HE2 HIS 602 HE2 HIS 602 4.677 3.315 -10.845 139 H LEU 603 H LEU 603 6.788 2.718 -4.676 140 HA LEU 603 HA LEU 603 4.536 1.156 -5.271 141 HB2 LEU 603 1HB LEU 603 6.305 0.941 -2.839 142 HB3 LEU 603 2HB LEU 603 5.282 -0.312 -3.505 143 HG LEU 603 HG LEU 603 7.587 0.893 -5.027 144 HD11 LEU 603 1HD1 LEU 603 8.435 -0.178 -3.010 145 HD12 LEU 603 2HD1 LEU 603 8.854 -1.104 -4.452 146 HD13 LEU 603 3HD1 LEU 603 7.541 -1.645 -3.409 147 HD21 LEU 603 3HD2 LEU 603 7.358 -1.105 -6.413 148 HD22 LEU 603 1HD2 LEU 603 5.870 -0.159 -6.398 149 HD23 LEU 603 2HD2 LEU 603 5.989 -1.630 -5.434 150 H VAL 604 H VAL 604 5.200 3.323 -2.555 151 HA VAL 604 HA VAL 604 2.955 2.729 -1.004 152 HB VAL 604 HB VAL 604 4.415 5.361 -1.314 153 HG11 VAL 604 1HG1 VAL 604 2.430 4.554 0.812 154 HG12 VAL 604 2HG1 VAL 604 2.140 5.733 -0.467 155 HG13 VAL 604 3HG1 VAL 604 3.357 6.053 0.769 156 HG21 VAL 604 3HG2 VAL 604 4.559 3.226 0.814 157 HG22 VAL 604 1HG2 VAL 604 5.460 4.742 0.807 158 HG23 VAL 604 2HG2 VAL 604 5.772 3.526 -0.433 159 H HIS 605 H HIS 605 3.334 5.232 -3.528 160 HA HIS 605 HA HIS 605 0.672 6.113 -3.506 161 HB2 HIS 605 1HB HIS 605 2.607 6.070 -5.825 162 HB3 HIS 605 2HB HIS 605 1.077 6.932 -5.820 163 HD1 HIS 605 HD1 HIS 605 4.214 8.003 -5.888 164 HD2 HIS 605 HD2 HIS 605 1.361 8.380 -2.887 165 HE1 HIS 605 HE1 HIS 605 4.939 9.973 -4.505 166 HE2 HIS 605 HE2 HIS 605 3.296 10.071 -2.599 167 H LYS 606 H LYS 606 2.201 3.463 -5.265 168 HA LYS 606 HA LYS 606 0.018 2.796 -6.904 169 HB2 LYS 606 1HB LYS 606 2.256 1.929 -7.321 170 HB3 LYS 606 2HB LYS 606 2.219 1.036 -5.807 171 HG2 LYS 606 1HG LYS 606 0.472 -0.392 -6.630 172 HG3 LYS 606 2HG LYS 606 0.336 0.565 -8.105 173 HD2 LYS 606 1HD LYS 606 2.596 -0.071 -8.745 174 HD3 LYS 606 2HD LYS 606 2.778 -0.983 -7.246 175 HE2 LYS 606 1HE LYS 606 2.249 -2.427 -9.168 176 HE3 LYS 606 2HE LYS 606 1.016 -2.500 -7.911 177 HZ1 LYS 606 3HZ LYS 606 0.058 -2.361 -10.138 178 HZ2 LYS 606 1HZ LYS 606 0.830 -0.880 -10.393 179 HZ3 LYS 606 2HZ LYS 606 -0.364 -1.017 -9.205 180 H LEU 607 H LEU 607 0.912 1.728 -3.653 181 HA LEU 607 HA LEU 607 -1.193 -0.123 -3.305 182 HB2 LEU 607 1HB LEU 607 0.955 0.241 -1.926 183 HB3 LEU 607 2HB LEU 607 0.058 1.497 -1.100 184 HG LEU 607 HG LEU 607 -0.974 -1.326 -1.232 185 HD11 LEU 607 1HD1 LEU 607 1.271 -1.425 -0.302 186 HD12 LEU 607 2HD1 LEU 607 0.060 -1.705 0.949 187 HD13 LEU 607 3HD1 LEU 607 0.868 -0.141 0.838 188 HD21 LEU 607 3HD2 LEU 607 -1.412 0.932 0.719 189 HD22 LEU 607 1HD2 LEU 607 -2.158 -0.664 0.790 190 HD23 LEU 607 2HD2 LEU 607 -2.538 0.428 -0.542 191 H VAL 608 H VAL 608 -0.852 3.291 -2.439 192 HA VAL 608 HA VAL 608 -3.403 3.781 -1.422 193 HB VAL 608 HB VAL 608 -1.598 5.586 -3.038 194 HG11 VAL 608 1HG1 VAL 608 -3.825 6.451 -3.279 195 HG12 VAL 608 2HG1 VAL 608 -2.948 7.462 -2.131 196 HG13 VAL 608 3HG1 VAL 608 -4.124 6.284 -1.552 197 HG21 VAL 608 3HG2 VAL 608 -1.120 6.597 -0.840 198 HG22 VAL 608 1HG2 VAL 608 -0.653 4.898 -0.922 199 HG23 VAL 608 2HG2 VAL 608 -2.129 5.368 -0.078 200 H GLN 609 H GLN 609 -2.256 3.830 -4.765 201 HA GLN 609 HA GLN 609 -4.590 4.643 -6.049 202 HB2 GLN 609 1HB GLN 609 -2.397 4.508 -7.143 203 HB3 GLN 609 2HB GLN 609 -2.448 2.755 -7.044 204 HG2 GLN 609 1HG GLN 609 -4.402 2.732 -8.516 205 HG3 GLN 609 2HG GLN 609 -4.328 4.490 -8.626 206 HE21 GLN 609 1HE2 GLN 609 -2.644 5.455 -9.772 207 HE22 GLN 609 2HE2 GLN 609 -1.698 4.573 -10.917 208 H ALA 610 H ALA 610 -3.549 1.404 -5.073 209 HA ALA 610 HA ALA 610 -5.640 -0.033 -6.284 210 HB1 ALA 610 3HB ALA 610 -4.135 -0.720 -3.762 211 HB2 ALA 610 1HB ALA 610 -3.597 -1.078 -5.404 212 HB3 ALA 610 2HB ALA 610 -5.057 -1.836 -4.769 213 H ILE 611 H ILE 611 -5.336 1.377 -3.060 214 HA ILE 611 HA ILE 611 -7.931 0.570 -2.218 215 HB ILE 611 HB ILE 611 -6.174 2.824 -1.114 216 HG12 ILE 611 1HG1 ILE 611 -6.583 0.185 0.315 217 HG13 ILE 611 2HG1 ILE 611 -5.362 0.342 -0.961 218 HG21 ILE 611 1HG2 ILE 611 -7.509 2.862 0.871 219 HG22 ILE 611 2HG2 ILE 611 -8.532 1.557 0.284 220 HG23 ILE 611 3HG2 ILE 611 -8.555 3.129 -0.522 221 HD11 ILE 611 3HD1 ILE 611 -4.425 0.659 1.256 222 HD12 ILE 611 1HD1 ILE 611 -5.543 1.988 1.551 223 HD13 ILE 611 2HD1 ILE 611 -4.303 2.140 0.307 224 H PHE 612 H PHE 612 -6.781 3.355 -4.014 225 HA PHE 612 HA PHE 612 -9.472 4.294 -4.392 226 HB2 PHE 612 1HB PHE 612 -8.692 5.192 -2.130 227 HB3 PHE 612 2HB PHE 612 -7.539 6.169 -3.029 228 HD1 PHE 612 HD2 PHE 612 -11.164 5.356 -3.485 229 HD2 PHE 612 HD1 PHE 612 -8.173 8.359 -3.056 230 HE1 PHE 612 HE2 PHE 612 -12.871 7.103 -3.788 231 HE2 PHE 612 HE1 PHE 612 -9.881 10.101 -3.342 232 HZ PHE 612 HZ PHE 612 -12.232 9.477 -3.711 233 HA PRO 613 HA PRO 613 -6.590 4.942 -7.876 234 HB2 PRO 613 1HB PRO 613 -8.336 4.328 -9.862 235 HB3 PRO 613 2HB PRO 613 -7.528 3.092 -8.887 236 HG2 PRO 613 1HG PRO 613 -10.327 4.118 -8.742 237 HG3 PRO 613 2HG PRO 613 -9.715 2.484 -8.446 238 HD2 PRO 613 1HD PRO 613 -10.410 4.328 -6.471 239 HD3 PRO 613 2HD PRO 613 -9.357 2.908 -6.243 240 H THR 614 H THR 614 -9.384 6.673 -7.058 241 HA THR 614 HA THR 614 -9.194 8.460 -9.364 242 HB THR 614 HB THR 614 -11.305 9.472 -8.409 243 HG1 THR 614 HG1 THR 614 -10.891 8.533 -6.255 244 HG21 THR 614 1HG2 THR 614 -12.748 7.631 -9.155 245 HG22 THR 614 2HG2 THR 614 -11.374 6.526 -9.089 246 HG23 THR 614 3HG2 THR 614 -11.381 7.858 -10.246 247 HA PRO 615 HA PRO 615 -6.922 11.158 -6.481 248 HB2 PRO 615 1HB PRO 615 -6.285 12.702 -8.883 249 HB3 PRO 615 2HB PRO 615 -5.195 11.811 -7.806 250 HG2 PRO 615 1HG PRO 615 -5.679 10.977 -10.334 251 HG3 PRO 615 2HG PRO 615 -5.387 9.828 -9.004 252 HD2 PRO 615 1HD PRO 615 -8.010 10.744 -10.188 253 HD3 PRO 615 2HD PRO 615 -7.478 9.081 -9.829 254 H ASP 616 H ASP 616 -9.594 11.482 -6.456 255 HA ASP 616 HA ASP 616 -10.552 13.963 -7.428 256 HB2 ASP 616 1HB ASP 616 -12.009 12.100 -6.590 257 HB3 ASP 616 2HB ASP 616 -11.457 12.450 -4.953 258 HA PRO 617 HA PRO 617 -7.985 16.636 -5.045 259 HB2 PRO 617 1HB PRO 617 -9.574 18.921 -5.314 260 HB3 PRO 617 2HB PRO 617 -8.372 18.357 -6.484 261 HG2 PRO 617 1HG PRO 617 -11.331 17.985 -6.472 262 HG3 PRO 617 2HG PRO 617 -10.242 18.313 -7.833 263 HD2 PRO 617 1HD PRO 617 -11.216 15.858 -7.390 264 HD3 PRO 617 2HD PRO 617 -9.558 16.096 -7.999 265 H ALA 618 H ALA 618 -11.521 16.823 -4.385 266 HA ALA 618 HA ALA 618 -11.209 17.888 -1.795 267 HB1 ALA 618 3HB ALA 618 -13.498 16.253 -2.879 268 HB2 ALA 618 1HB ALA 618 -13.316 18.000 -3.039 269 HB3 ALA 618 2HB ALA 618 -13.534 17.278 -1.445 270 H ALA 619 H ALA 619 -11.491 14.559 -2.973 271 HA ALA 619 HA ALA 619 -11.554 13.358 -0.413 272 HB1 ALA 619 3HB ALA 619 -12.288 12.171 -2.409 273 HB2 ALA 619 1HB ALA 619 -11.023 11.272 -1.574 274 HB3 ALA 619 2HB ALA 619 -10.644 12.177 -3.038 275 H LEU 620 H LEU 620 -8.870 14.050 -2.656 276 HA LEU 620 HA LEU 620 -6.694 13.268 -1.275 277 HB2 LEU 620 1HB LEU 620 -7.226 15.098 -3.298 278 HB3 LEU 620 2HB LEU 620 -6.400 16.049 -2.081 279 HG LEU 620 HG LEU 620 -4.829 15.221 -3.734 280 HD11 LEU 620 1HD1 LEU 620 -3.221 14.124 -2.262 281 HD12 LEU 620 2HD1 LEU 620 -4.501 13.821 -1.088 282 HD13 LEU 620 3HD1 LEU 620 -4.017 15.475 -1.459 283 HD21 LEU 620 3HD2 LEU 620 -4.394 12.848 -4.026 284 HD22 LEU 620 1HD2 LEU 620 -6.064 13.235 -4.441 285 HD23 LEU 620 2HD2 LEU 620 -5.695 12.457 -2.902 286 H LYS 621 H LYS 621 -8.846 15.880 -0.345 287 HA LYS 621 HA LYS 621 -7.047 16.661 1.832 288 HB2 LYS 621 1HB LYS 621 -9.613 17.951 0.858 289 HB3 LYS 621 2HB LYS 621 -8.539 18.598 2.095 290 HG2 LYS 621 1HG LYS 621 -6.751 18.799 0.441 291 HG3 LYS 621 2HG LYS 621 -7.826 18.149 -0.797 292 HD2 LYS 621 1HD LYS 621 -9.344 20.049 -0.462 293 HD3 LYS 621 2HD LYS 621 -8.249 20.700 0.758 294 HE2 LYS 621 1HE LYS 621 -7.914 21.814 -1.376 295 HE3 LYS 621 2HE LYS 621 -6.485 20.888 -0.925 296 HZ1 LYS 621 3HZ LYS 621 -7.171 19.138 -2.431 297 HZ2 LYS 621 1HZ LYS 621 -7.046 20.606 -3.261 298 HZ3 LYS 621 2HZ LYS 621 -8.566 19.999 -2.844 299 H ASP 622 H ASP 622 -8.885 14.196 1.654 300 HA ASP 622 HA ASP 622 -10.646 14.700 3.944 301 HB2 ASP 622 1HB ASP 622 -11.357 13.388 1.828 302 HB3 ASP 622 2HB ASP 622 -10.405 12.070 2.503 303 H ARG 623 H ARG 623 -10.335 13.880 5.917 304 HA ARG 623 HA ARG 623 -7.821 13.017 6.758 305 HB2 ARG 623 1HB ARG 623 -10.484 12.768 8.150 306 HB3 ARG 623 2HB ARG 623 -8.932 12.458 8.913 307 HG2 ARG 623 1HG ARG 623 -10.023 15.074 7.915 308 HG3 ARG 623 2HG ARG 623 -9.545 14.631 9.552 309 HD2 ARG 623 1HD ARG 623 -7.714 14.980 7.183 310 HD3 ARG 623 2HD ARG 623 -7.893 16.088 8.539 311 HE ARG 623 HE ARG 623 -7.171 13.631 9.604 312 HH11 ARG 623 1HH1 ARG 623 -5.822 16.018 7.442 313 HH12 ARG 623 2HH1 ARG 623 -4.176 15.660 7.853 314 HH21 ARG 623 1HH2 ARG 623 -4.988 13.144 10.152 315 HH22 ARG 623 2HH2 ARG 623 -3.702 14.030 9.393 316 H ARG 624 H ARG 624 -10.631 11.137 5.759 317 HA ARG 624 HA ARG 624 -9.799 8.687 6.921 318 HB2 ARG 624 1HB ARG 624 -11.706 9.342 4.702 319 HB3 ARG 624 2HB ARG 624 -11.224 7.673 4.972 320 HG2 ARG 624 1HG ARG 624 -11.907 8.373 7.484 321 HG3 ARG 624 2HG ARG 624 -12.990 9.416 6.562 322 HD2 ARG 624 1HD ARG 624 -14.092 7.287 7.049 323 HD3 ARG 624 2HD ARG 624 -13.793 7.446 5.314 324 HE ARG 624 HE ARG 624 -11.613 6.109 6.189 325 HH11 ARG 624 1HH1 ARG 624 -15.056 5.550 6.474 326 HH12 ARG 624 2HH1 ARG 624 -14.885 3.839 6.691 327 HH21 ARG 624 1HH2 ARG 624 -11.385 3.874 6.446 328 HH22 ARG 624 2HH2 ARG 624 -12.787 2.880 6.707 329 H MET 625 H MET 625 -9.155 10.186 3.783 330 HA MET 625 HA MET 625 -7.676 8.101 2.659 331 HB2 MET 625 1HB MET 625 -8.278 9.896 1.222 332 HB3 MET 625 2HB MET 625 -7.483 11.083 2.246 333 HG2 MET 625 1HG MET 625 -5.295 10.082 1.700 334 HG3 MET 625 2HG MET 625 -6.114 8.936 0.636 335 HE1 MET 625 3HE MET 625 -8.287 10.556 -0.864 336 HE2 MET 625 1HE MET 625 -7.127 9.497 -1.664 337 HE3 MET 625 2HE MET 625 -7.389 11.132 -2.268 338 H GLU 626 H GLU 626 -6.768 10.531 5.003 339 HA GLU 626 HA GLU 626 -3.967 10.312 4.824 340 HB2 GLU 626 1HB GLU 626 -5.390 12.057 6.070 341 HB3 GLU 626 2HB GLU 626 -5.494 10.880 7.367 342 HG2 GLU 626 1HG GLU 626 -2.875 11.884 6.295 343 HG3 GLU 626 2HG GLU 626 -3.749 12.691 7.591 344 H ASN 627 H ASN 627 -6.385 8.545 6.663 345 HA ASN 627 HA ASN 627 -4.650 6.973 8.222 346 HB2 ASN 627 1HB ASN 627 -7.421 6.280 7.220 347 HB3 ASN 627 2HB ASN 627 -6.595 5.478 8.552 348 HD21 ASN 627 1HD2 ASN 627 -5.515 8.208 9.400 349 HD22 ASN 627 2HD2 ASN 627 -6.853 8.980 10.199 350 H LEU 628 H LEU 628 -6.075 6.442 5.022 351 HA LEU 628 HA LEU 628 -5.049 3.764 4.788 352 HB2 LEU 628 1HB LEU 628 -6.032 3.666 2.702 353 HB3 LEU 628 2HB LEU 628 -7.024 4.902 3.444 354 HG LEU 628 HG LEU 628 -5.435 6.577 2.242 355 HD11 LEU 628 1HD1 LEU 628 -3.786 4.842 1.566 356 HD12 LEU 628 2HD1 LEU 628 -4.421 5.785 0.223 357 HD13 LEU 628 3HD1 LEU 628 -5.014 4.151 0.505 358 HD21 LEU 628 3HD2 LEU 628 -6.907 6.648 0.406 359 HD22 LEU 628 1HD2 LEU 628 -7.856 6.001 1.743 360 HD23 LEU 628 2HD2 LEU 628 -7.235 4.919 0.500 361 H VAL 629 H VAL 629 -3.958 6.960 3.776 362 HA VAL 629 HA VAL 629 -1.624 6.203 2.422 363 HB VAL 629 HB VAL 629 -2.132 8.681 4.083 364 HG11 VAL 629 1HG1 VAL 629 0.250 8.361 3.803 365 HG12 VAL 629 2HG1 VAL 629 -0.299 9.691 2.784 366 HG13 VAL 629 3HG1 VAL 629 0.037 8.112 2.072 367 HG21 VAL 629 3HG2 VAL 629 -3.690 8.411 2.225 368 HG22 VAL 629 1HG2 VAL 629 -2.338 8.202 1.111 369 HG23 VAL 629 2HG2 VAL 629 -2.579 9.748 1.925 370 H ALA 630 H ALA 630 -2.191 6.838 5.854 371 HA ALA 630 HA ALA 630 0.415 6.375 6.767 372 HB1 ALA 630 3HB ALA 630 -0.635 6.008 8.969 373 HB2 ALA 630 1HB ALA 630 -2.216 6.002 8.189 374 HB3 ALA 630 2HB ALA 630 -1.226 7.458 8.159 375 H TYR 631 H TYR 631 -2.277 4.151 6.184 376 HA TYR 631 HA TYR 631 -1.009 1.840 7.218 377 HB2 TYR 631 1HB TYR 631 -3.414 1.806 6.808 378 HB3 TYR 631 2HB TYR 631 -3.151 2.059 5.083 379 HD1 TYR 631 HD1 TYR 631 -2.038 -0.300 7.765 380 HD2 TYR 631 HD2 TYR 631 -3.349 0.177 3.743 381 HE1 TYR 631 HE1 TYR 631 -1.914 -2.731 7.437 382 HE2 TYR 631 HE2 TYR 631 -3.222 -2.243 3.413 383 HH TYR 631 HH TYR 631 -2.909 -4.451 5.946 384 H ALA 632 H ALA 632 -1.053 3.279 3.975 385 HA ALA 632 HA ALA 632 0.424 1.282 2.663 386 HB1 ALA 632 3HB ALA 632 -0.783 3.047 1.459 387 HB2 ALA 632 1HB ALA 632 0.908 2.969 0.963 388 HB3 ALA 632 2HB ALA 632 0.368 4.242 2.060 389 H LYS 633 H LYS 633 1.505 4.245 4.302 390 HA LYS 633 HA LYS 633 4.260 3.876 3.974 391 HB2 LYS 633 1HB LYS 633 2.549 5.613 5.495 392 HB3 LYS 633 2HB LYS 633 3.858 5.051 6.525 393 HG2 LYS 633 1HG LYS 633 4.527 7.104 5.503 394 HG3 LYS 633 2HG LYS 633 5.466 5.791 4.779 395 HD2 LYS 633 1HD LYS 633 4.824 7.039 2.931 396 HD3 LYS 633 2HD LYS 633 3.602 5.764 2.990 397 HE2 LYS 633 1HE LYS 633 2.596 7.953 2.575 398 HE3 LYS 633 2HE LYS 633 2.057 7.265 4.106 399 HZ1 LYS 633 3HZ LYS 633 4.271 9.225 3.912 400 HZ2 LYS 633 1HZ LYS 633 3.456 8.721 5.305 401 HZ3 LYS 633 2HZ LYS 633 2.662 9.679 4.160 402 H LYS 634 H LYS 634 2.071 2.682 6.491 403 HA LYS 634 HA LYS 634 3.989 1.472 8.128 404 HB2 LYS 634 1HB LYS 634 1.674 1.732 8.838 405 HB3 LYS 634 2HB LYS 634 1.132 0.650 7.567 406 HG2 LYS 634 1HG LYS 634 1.159 -0.410 9.783 407 HG3 LYS 634 2HG LYS 634 2.215 -1.220 8.626 408 HD2 LYS 634 1HD LYS 634 3.292 -1.031 10.802 409 HD3 LYS 634 2HD LYS 634 4.151 -0.078 9.594 410 HE2 LYS 634 1HE LYS 634 3.025 1.946 10.410 411 HE3 LYS 634 2HE LYS 634 2.190 0.983 11.625 412 HZ1 LYS 634 3HZ LYS 634 4.295 0.444 12.633 413 HZ2 LYS 634 1HZ LYS 634 4.141 2.123 12.517 414 HZ3 LYS 634 2HZ LYS 634 5.136 1.290 11.435 415 H VAL 635 H VAL 635 2.284 0.272 5.285 416 HA VAL 635 HA VAL 635 3.319 -2.321 5.258 417 HB VAL 635 HB VAL 635 2.328 -0.544 3.037 418 HG11 VAL 635 1HG1 VAL 635 3.957 -2.037 2.035 419 HG12 VAL 635 2HG1 VAL 635 2.327 -2.541 1.589 420 HG13 VAL 635 3HG1 VAL 635 3.214 -3.421 2.833 421 HG21 VAL 635 3HG2 VAL 635 0.450 -2.127 3.051 422 HG22 VAL 635 1HG2 VAL 635 0.658 -1.343 4.615 423 HG23 VAL 635 2HG2 VAL 635 1.210 -3.001 4.380 424 H GLU 636 H GLU 636 4.518 0.581 3.543 425 HA GLU 636 HA GLU 636 6.747 -0.582 2.389 426 HB2 GLU 636 1HB GLU 636 7.557 1.524 1.912 427 HB3 GLU 636 2HB GLU 636 5.868 1.893 2.219 428 HG2 GLU 636 1HG GLU 636 6.330 2.850 4.294 429 HG3 GLU 636 2HG GLU 636 7.911 2.083 4.399 430 H GLY 637 H GLY 637 6.348 0.638 5.674 431 HA2 GLY 637 1HA GLY 637 9.039 0.351 6.487 432 HA3 GLY 637 2HA GLY 637 7.651 0.383 7.561 433 H ASP 638 H ASP 638 6.279 -1.884 6.903 434 HA ASP 638 HA ASP 638 7.785 -3.834 8.292 435 HB2 ASP 638 1HB ASP 638 5.268 -3.682 8.253 436 HB3 ASP 638 2HB ASP 638 5.316 -4.381 6.637 437 H MET 639 H MET 639 6.878 -3.555 4.888 438 HA MET 639 HA MET 639 8.091 -5.957 4.015 439 HB2 MET 639 1HB MET 639 7.750 -3.438 2.361 440 HB3 MET 639 2HB MET 639 7.924 -5.082 1.756 441 HG2 MET 639 1HG MET 639 5.578 -3.991 3.315 442 HG3 MET 639 2HG MET 639 5.604 -4.291 1.576 443 HE1 MET 639 3HE MET 639 3.573 -5.854 1.402 444 HE2 MET 639 1HE MET 639 3.217 -5.445 3.085 445 HE3 MET 639 2HE MET 639 3.206 -7.131 2.563 446 H TYR 640 H TYR 640 9.225 -2.762 4.473 447 HA TYR 640 HA TYR 640 11.529 -2.592 3.037 448 HB2 TYR 640 1HB TYR 640 10.570 -0.796 4.549 449 HB3 TYR 640 2HB TYR 640 11.431 -1.562 5.875 450 HD1 TYR 640 HD2 TYR 640 12.645 -1.037 2.385 451 HD2 TYR 640 HD1 TYR 640 12.974 0.118 6.476 452 HE1 TYR 640 HE2 TYR 640 14.626 0.308 1.851 453 HE2 TYR 640 HE1 TYR 640 14.952 1.459 5.939 454 HH TYR 640 HH TYR 640 16.679 1.602 4.256 455 H GLU 641 H GLU 641 11.287 -4.331 6.166 456 HA GLU 641 HA GLU 641 14.089 -4.884 6.309 457 HB2 GLU 641 1HB GLU 641 11.684 -6.108 7.607 458 HB3 GLU 641 2HB GLU 641 13.247 -6.925 7.737 459 HG2 GLU 641 1HG GLU 641 13.059 -5.580 9.708 460 HG3 GLU 641 2HG GLU 641 14.132 -4.657 8.646 461 H SER 642 H SER 642 11.348 -6.798 5.150 462 HA SER 642 HA SER 642 12.840 -9.032 4.273 463 HB2 SER 642 1HB SER 642 10.140 -8.097 3.280 464 HB3 SER 642 2HB SER 642 10.792 -9.733 3.180 465 HG SER 642 HG SER 642 9.336 -8.769 5.101 466 H ALA 643 H ALA 643 11.669 -6.169 2.666 467 HA ALA 643 HA ALA 643 12.177 -6.459 0.041 468 HB1 ALA 643 3HB ALA 643 12.356 -4.085 -0.108 469 HB2 ALA 643 1HB ALA 643 12.789 -3.973 1.598 470 HB3 ALA 643 2HB ALA 643 11.176 -4.511 1.131 471 H ASN 644 H ASN 644 14.580 -7.565 1.630 472 HA ASN 644 HA ASN 644 16.823 -5.966 0.873 473 HB2 ASN 644 1HB ASN 644 16.744 -7.718 2.769 474 HB3 ASN 644 2HB ASN 644 16.825 -8.943 1.508 475 HD21 ASN 644 1HD2 ASN 644 18.539 -5.837 1.536 476 HD22 ASN 644 2HD2 ASN 644 20.134 -6.520 1.610 477 H SER 645 H SER 645 14.683 -7.751 -0.939 478 HA SER 645 HA SER 645 16.568 -7.822 -3.170 479 HB2 SER 645 1HB SER 645 14.663 -10.097 -2.553 480 HB3 SER 645 2HB SER 645 15.802 -10.014 -3.897 481 HG SER 645 HG SER 645 16.411 -10.148 -1.126 482 H ARG 646 H ARG 646 15.638 -7.285 -5.132 483 HA ARG 646 HA ARG 646 13.377 -5.670 -5.152 484 HB2 ARG 646 1HB ARG 646 15.017 -6.972 -7.270 485 HB3 ARG 646 2HB ARG 646 13.448 -6.344 -7.745 486 HG2 ARG 646 1HG ARG 646 15.157 -4.710 -8.194 487 HG3 ARG 646 2HG ARG 646 14.102 -4.127 -6.905 488 HD2 ARG 646 1HD ARG 646 16.435 -3.649 -6.413 489 HD3 ARG 646 2HD ARG 646 15.761 -4.779 -5.242 490 HE ARG 646 HE ARG 646 16.968 -6.552 -6.396 491 HH11 ARG 646 1HH1 ARG 646 17.916 -3.275 -7.167 492 HH12 ARG 646 2HH1 ARG 646 19.514 -3.721 -7.670 493 HH21 ARG 646 1HH2 ARG 646 19.081 -7.145 -7.041 494 HH22 ARG 646 2HH2 ARG 646 20.179 -5.923 -7.605 495 H ASP 647 H ASP 647 13.664 -9.053 -6.195 496 HA ASP 647 HA ASP 647 11.030 -9.350 -7.107 497 HB2 ASP 647 1HB ASP 647 12.820 -10.947 -7.651 498 HB3 ASP 647 2HB ASP 647 12.869 -11.472 -5.971 499 H GLU 648 H GLU 648 12.461 -9.962 -3.941 500 HA GLU 648 HA GLU 648 10.209 -11.008 -2.651 501 HB2 GLU 648 1HB GLU 648 12.591 -10.909 -1.772 502 HB3 GLU 648 2HB GLU 648 12.278 -9.231 -1.352 503 HG2 GLU 648 1HG GLU 648 11.973 -10.520 0.610 504 HG3 GLU 648 2HG GLU 648 10.369 -10.029 0.063 505 H TYR 649 H TYR 649 11.357 -7.672 -2.932 506 HA TYR 649 HA TYR 649 9.480 -6.433 -1.292 507 HB2 TYR 649 1HB TYR 649 11.624 -5.494 -2.491 508 HB3 TYR 649 2HB TYR 649 10.492 -5.062 -3.766 509 HD1 TYR 649 HD2 TYR 649 8.537 -4.765 -0.975 510 HD2 TYR 649 HD1 TYR 649 11.906 -2.891 -2.777 511 HE1 TYR 649 HE2 TYR 649 8.035 -2.696 0.249 512 HE2 TYR 649 HE1 TYR 649 11.413 -0.817 -1.552 513 HH TYR 649 HH TYR 649 9.193 -0.687 1.025 514 H TYR 650 H TYR 650 9.357 -7.009 -4.823 515 HA TYR 650 HA TYR 650 6.873 -5.773 -5.220 516 HB2 TYR 650 1HB TYR 650 8.616 -7.624 -6.794 517 HB3 TYR 650 2HB TYR 650 7.005 -7.230 -7.349 518 HD1 TYR 650 HD2 TYR 650 6.407 -4.740 -7.580 519 HD2 TYR 650 HD1 TYR 650 10.397 -6.184 -7.289 520 HE1 TYR 650 HE2 TYR 650 7.229 -2.646 -8.565 521 HE2 TYR 650 HE1 TYR 650 11.232 -4.088 -8.271 522 HH TYR 650 HH TYR 650 9.285 -1.320 -8.623 523 H HIS 651 H HIS 651 7.820 -9.017 -4.308 524 HA HIS 651 HA HIS 651 5.399 -10.332 -5.065 525 HB2 HIS 651 1HB HIS 651 7.465 -11.606 -4.705 526 HB3 HIS 651 2HB HIS 651 7.483 -11.127 -3.011 527 HD1 HIS 651 HD1 HIS 651 6.425 -12.736 -1.440 528 HD2 HIS 651 HD2 HIS 651 5.057 -13.233 -5.335 529 HE1 HIS 651 HE1 HIS 651 4.906 -14.735 -1.376 530 HE2 HIS 651 HE2 HIS 651 4.052 -14.992 -3.729 531 H LEU 652 H LEU 652 6.653 -9.130 -1.995 532 HA LEU 652 HA LEU 652 4.501 -9.787 -0.356 533 HB2 LEU 652 1HB LEU 652 6.372 -7.428 -0.170 534 HB3 LEU 652 2HB LEU 652 5.350 -8.008 1.131 535 HG LEU 652 HG LEU 652 7.531 -9.653 -0.151 536 HD11 LEU 652 1HD1 LEU 652 8.828 -9.182 1.867 537 HD12 LEU 652 2HD1 LEU 652 7.570 -8.075 2.418 538 HD13 LEU 652 3HD1 LEU 652 8.489 -7.710 0.957 539 HD21 LEU 652 3HD2 LEU 652 5.774 -10.977 0.882 540 HD22 LEU 652 1HD2 LEU 652 5.914 -10.036 2.367 541 HD23 LEU 652 2HD2 LEU 652 7.251 -11.057 1.841 542 H LEU 653 H LEU 653 5.130 -6.738 -2.074 543 HA LEU 653 HA LEU 653 2.759 -5.454 -1.237 544 HB2 LEU 653 1HB LEU 653 4.652 -4.961 -3.519 545 HB3 LEU 653 2HB LEU 653 3.238 -3.957 -3.252 546 HG LEU 653 HG LEU 653 5.096 -4.345 -0.958 547 HD11 LEU 653 1HD1 LEU 653 6.425 -2.400 -1.804 548 HD12 LEU 653 2HD1 LEU 653 5.684 -2.668 -3.383 549 HD13 LEU 653 3HD1 LEU 653 6.693 -3.916 -2.657 550 HD21 LEU 653 3HD2 LEU 653 3.588 -1.958 -2.023 551 HD22 LEU 653 1HD2 LEU 653 4.455 -2.054 -0.491 552 HD23 LEU 653 2HD2 LEU 653 3.016 -3.042 -0.751 553 H ALA 654 H ALA 654 3.552 -7.209 -4.245 554 HA ALA 654 HA ALA 654 1.212 -6.631 -5.643 555 HB1 ALA 654 3HB ALA 654 1.753 -8.515 -7.062 556 HB2 ALA 654 1HB ALA 654 2.862 -9.143 -5.842 557 HB3 ALA 654 2HB ALA 654 3.217 -7.619 -6.654 558 H GLU 655 H GLU 655 1.918 -9.377 -3.511 559 HA GLU 655 HA GLU 655 -0.499 -10.748 -3.807 560 HB2 GLU 655 1HB GLU 655 1.061 -11.989 -2.614 561 HB3 GLU 655 2HB GLU 655 1.536 -10.616 -1.613 562 HG2 GLU 655 1HG GLU 655 -0.586 -10.812 -0.393 563 HG3 GLU 655 2HG GLU 655 -1.018 -12.199 -1.393 564 H LYS 656 H LYS 656 0.367 -8.217 -1.475 565 HA LYS 656 HA LYS 656 -2.085 -8.064 -0.145 566 HB2 LYS 656 1HB LYS 656 -0.034 -6.978 0.652 567 HB3 LYS 656 2HB LYS 656 -0.100 -5.851 -0.695 568 HG2 LYS 656 1HG LYS 656 -2.302 -5.055 0.181 569 HG3 LYS 656 2HG LYS 656 -2.029 -6.060 1.605 570 HD2 LYS 656 1HD LYS 656 -0.142 -3.908 0.658 571 HD3 LYS 656 2HD LYS 656 -1.376 -3.669 1.897 572 HE2 LYS 656 1HE LYS 656 0.734 -5.802 2.104 573 HE3 LYS 656 2HE LYS 656 0.990 -4.163 2.693 574 HZ1 LYS 656 3HZ LYS 656 -1.010 -4.462 4.103 575 HZ2 LYS 656 1HZ LYS 656 0.253 -5.528 4.490 576 HZ3 LYS 656 2HZ LYS 656 -1.081 -6.081 3.608 577 H ILE 657 H ILE 657 -0.986 -6.516 -3.131 578 HA ILE 657 HA ILE 657 -3.186 -4.742 -3.379 579 HB ILE 657 HB ILE 657 -1.377 -5.805 -5.572 580 HG12 ILE 657 1HG1 ILE 657 -1.221 -3.255 -3.939 581 HG13 ILE 657 2HG1 ILE 657 -0.156 -4.645 -3.759 582 HG21 ILE 657 1HG2 ILE 657 -3.114 -3.333 -5.528 583 HG22 ILE 657 2HG2 ILE 657 -3.522 -4.832 -6.360 584 HG23 ILE 657 3HG2 ILE 657 -2.113 -3.897 -6.866 585 HD11 ILE 657 3HD1 ILE 657 0.917 -2.874 -5.015 586 HD12 ILE 657 1HD1 ILE 657 -0.391 -2.903 -6.198 587 HD13 ILE 657 2HD1 ILE 657 0.674 -4.297 -6.027 588 H TYR 658 H TYR 658 -2.533 -7.994 -4.693 589 HA TYR 658 HA TYR 658 -4.934 -8.122 -6.192 590 HB2 TYR 658 1HB TYR 658 -2.861 -9.687 -6.368 591 HB3 TYR 658 2HB TYR 658 -3.646 -10.606 -5.085 592 HD1 TYR 658 HD1 TYR 658 -5.063 -8.857 -8.072 593 HD2 TYR 658 HD2 TYR 658 -4.484 -12.586 -6.079 594 HE1 TYR 658 HE1 TYR 658 -6.463 -9.972 -9.745 595 HE2 TYR 658 HE2 TYR 658 -5.889 -13.693 -7.753 596 HH TYR 658 HH TYR 658 -6.786 -12.229 -10.676 597 H LYS 659 H LYS 659 -4.127 -9.079 -2.871 598 HA LYS 659 HA LYS 659 -6.577 -10.184 -2.159 599 HB2 LYS 659 1HB LYS 659 -4.614 -8.590 -0.516 600 HB3 LYS 659 2HB LYS 659 -6.018 -9.395 0.175 601 HG2 LYS 659 1HG LYS 659 -3.781 -10.745 -1.325 602 HG3 LYS 659 2HG LYS 659 -3.999 -10.738 0.428 603 HD2 LYS 659 1HD LYS 659 -6.146 -11.886 0.156 604 HD3 LYS 659 2HD LYS 659 -5.916 -11.902 -1.593 605 HE2 LYS 659 1HE LYS 659 -3.854 -13.228 -1.266 606 HE3 LYS 659 2HE LYS 659 -4.197 -13.278 0.463 607 HZ1 LYS 659 3HZ LYS 659 -5.894 -14.402 -1.698 608 HZ2 LYS 659 1HZ LYS 659 -6.303 -14.391 -0.056 609 HZ3 LYS 659 2HZ LYS 659 -4.971 -15.283 -0.587 610 H ILE 660 H ILE 660 -5.586 -6.792 -2.211 611 HA ILE 660 HA ILE 660 -7.947 -5.635 -1.279 612 HB ILE 660 HB ILE 660 -5.582 -4.706 -2.573 613 HG12 ILE 660 1HG1 ILE 660 -7.797 -3.195 -1.195 614 HG13 ILE 660 2HG1 ILE 660 -6.448 -3.994 -0.397 615 HG21 ILE 660 1HG2 ILE 660 -8.122 -3.688 -3.829 616 HG22 ILE 660 2HG2 ILE 660 -6.637 -4.216 -4.624 617 HG23 ILE 660 3HG2 ILE 660 -6.670 -2.697 -3.741 618 HD11 ILE 660 3HD1 ILE 660 -4.896 -2.496 -1.571 619 HD12 ILE 660 1HD1 ILE 660 -6.038 -1.633 -0.542 620 HD13 ILE 660 2HD1 ILE 660 -6.277 -1.664 -2.288 621 H GLN 661 H GLN 661 -7.190 -7.004 -4.444 622 HA GLN 661 HA GLN 661 -9.460 -5.847 -5.772 623 HB2 GLN 661 1HB GLN 661 -7.791 -8.253 -6.569 624 HB3 GLN 661 2HB GLN 661 -9.033 -7.515 -7.563 625 HG2 GLN 661 1HG GLN 661 -7.683 -5.382 -7.501 626 HG3 GLN 661 2HG GLN 661 -6.398 -6.315 -6.733 627 HE21 GLN 661 1HE2 GLN 661 -4.983 -6.026 -8.440 628 HE22 GLN 661 2HE2 GLN 661 -5.183 -6.825 -9.956 629 H LYS 662 H LYS 662 -8.726 -8.826 -4.117 630 HA LYS 662 HA LYS 662 -11.132 -10.204 -4.681 631 HB2 LYS 662 1HB LYS 662 -9.075 -11.320 -3.889 632 HB3 LYS 662 2HB LYS 662 -9.227 -10.496 -2.346 633 HG2 LYS 662 1HG LYS 662 -9.972 -12.788 -2.165 634 HG3 LYS 662 2HG LYS 662 -11.326 -11.685 -1.922 635 HD2 LYS 662 1HD LYS 662 -12.203 -12.136 -4.070 636 HD3 LYS 662 2HD LYS 662 -10.721 -12.940 -4.589 637 HE2 LYS 662 1HE LYS 662 -12.493 -14.556 -4.120 638 HE3 LYS 662 2HE LYS 662 -11.136 -14.753 -3.016 639 HZ1 LYS 662 3HZ LYS 662 -13.298 -14.902 -1.906 640 HZ2 LYS 662 1HZ LYS 662 -13.657 -13.311 -2.367 641 HZ3 LYS 662 2HZ LYS 662 -12.370 -13.624 -1.307 642 H GLU 663 H GLU 663 -10.045 -8.142 -2.025 643 HA GLU 663 HA GLU 663 -12.378 -8.369 -0.463 644 HB2 GLU 663 1HB GLU 663 -10.325 -6.164 -0.570 645 HB3 GLU 663 2HB GLU 663 -11.592 -6.286 0.642 646 HG2 GLU 663 1HG GLU 663 -10.646 -8.596 1.146 647 HG3 GLU 663 2HG GLU 663 -9.242 -8.088 0.209 648 H LEU 664 H LEU 664 -11.412 -5.911 -2.867 649 HA LEU 664 HA LEU 664 -13.665 -4.283 -2.704 650 HB2 LEU 664 1HB LEU 664 -12.046 -5.021 -5.149 651 HB3 LEU 664 2HB LEU 664 -13.209 -3.712 -5.088 652 HG LEU 664 HG LEU 664 -10.701 -3.861 -3.412 653 HD11 LEU 664 1HD1 LEU 664 -10.187 -3.575 -5.779 654 HD12 LEU 664 2HD1 LEU 664 -9.862 -2.095 -4.875 655 HD13 LEU 664 3HD1 LEU 664 -11.314 -2.221 -5.868 656 HD21 LEU 664 3HD2 LEU 664 -11.205 -1.520 -2.901 657 HD22 LEU 664 1HD2 LEU 664 -12.479 -2.601 -2.337 658 HD23 LEU 664 2HD2 LEU 664 -12.714 -1.652 -3.805 659 H GLU 665 H GLU 665 -13.124 -7.265 -4.482 660 HA GLU 665 HA GLU 665 -15.575 -7.417 -5.836 661 HB2 GLU 665 1HB GLU 665 -13.494 -8.851 -6.155 662 HB3 GLU 665 2HB GLU 665 -14.006 -9.753 -4.737 663 HG2 GLU 665 1HG GLU 665 -14.692 -10.954 -6.666 664 HG3 GLU 665 2HG GLU 665 -16.133 -10.268 -5.914 665 H GLU 666 H GLU 666 -14.543 -8.708 -2.698 666 HA GLU 666 HA GLU 666 -16.908 -10.025 -2.010 667 HB2 GLU 666 1HB GLU 666 -14.809 -8.783 -0.231 668 HB3 GLU 666 2HB GLU 666 -16.069 -9.872 0.329 669 HG2 GLU 666 1HG GLU 666 -13.893 -10.533 -1.640 670 HG3 GLU 666 2HG GLU 666 -13.976 -11.046 0.044 671 H LYS 667 H LYS 667 -15.892 -6.686 -1.408 672 HA LYS 667 HA LYS 667 -17.928 -5.985 0.403 673 HB2 LYS 667 1HB LYS 667 -16.649 -4.144 -1.638 674 HB3 LYS 667 2HB LYS 667 -17.416 -3.675 -0.133 675 HG2 LYS 667 1HG LYS 667 -14.779 -5.095 -0.496 676 HG3 LYS 667 2HG LYS 667 -15.082 -3.490 0.171 677 HD2 LYS 667 1HD LYS 667 -16.081 -6.040 1.430 678 HD3 LYS 667 2HD LYS 667 -14.581 -5.232 1.886 679 HE2 LYS 667 1HE LYS 667 -15.824 -3.239 2.515 680 HE3 LYS 667 2HE LYS 667 -17.328 -4.000 2.002 681 HZ1 LYS 667 3HZ LYS 667 -17.270 -5.481 3.767 682 HZ2 LYS 667 1HZ LYS 667 -16.756 -4.026 4.467 683 HZ3 LYS 667 2HZ LYS 667 -15.628 -5.231 4.073 684 H ARG 668 H ARG 668 -17.837 -5.898 -3.126 685 HA ARG 668 HA ARG 668 -20.421 -4.739 -3.275 686 HB2 ARG 668 1HB ARG 668 -18.400 -4.504 -4.923 687 HB3 ARG 668 2HB ARG 668 -19.066 -5.971 -5.620 688 HG2 ARG 668 1HG ARG 668 -20.991 -3.782 -5.210 689 HG3 ARG 668 2HG ARG 668 -19.727 -3.473 -6.396 690 HD2 ARG 668 1HD ARG 668 -21.480 -4.397 -7.637 691 HD3 ARG 668 2HD ARG 668 -20.361 -5.735 -7.401 692 HE ARG 668 HE ARG 668 -22.055 -6.057 -5.344 693 HH11 ARG 668 1HH1 ARG 668 -22.622 -5.527 -8.753 694 HH12 ARG 668 2HH1 ARG 668 -24.109 -6.418 -8.770 695 HH21 ARG 668 1HH2 ARG 668 -24.014 -7.221 -5.358 696 HH22 ARG 668 2HH2 ARG 668 -24.908 -7.376 -6.840 697 H ARG 669 H ARG 669 -19.018 -7.801 -3.476 698 HA ARG 669 HA ARG 669 -21.182 -9.121 -4.782 699 HB2 ARG 669 1HB ARG 669 -18.722 -9.849 -4.722 700 HB3 ARG 669 2HB ARG 669 -19.066 -10.482 -3.121 701 HG2 ARG 669 1HG ARG 669 -20.655 -11.317 -5.524 702 HG3 ARG 669 2HG ARG 669 -19.143 -12.104 -5.083 703 HD2 ARG 669 1HD ARG 669 -20.048 -12.798 -2.979 704 HD3 ARG 669 2HD ARG 669 -21.501 -11.830 -3.228 705 HE ARG 669 HE ARG 669 -21.191 -13.704 -5.326 706 HH11 ARG 669 1HH1 ARG 669 -22.065 -13.520 -1.944 707 HH12 ARG 669 2HH1 ARG 669 -23.121 -14.895 -2.014 708 HH21 ARG 669 1HH2 ARG 669 -22.571 -15.512 -5.422 709 HH22 ARG 669 2HH2 ARG 669 -23.420 -16.025 -3.998 710 H SER 670 H SER 670 -20.165 -8.768 -1.421 711 HA SER 670 HA SER 670 -22.061 -10.510 -0.349 712 HB2 SER 670 1HB SER 670 -20.326 -9.919 1.111 713 HB3 SER 670 2HB SER 670 -20.563 -8.195 0.896 714 HG SER 670 HG SER 670 -22.266 -10.027 2.242 715 H ARG 671 H ARG 671 -22.424 -6.905 -0.814 716 HA ARG 671 HA ARG 671 -25.122 -6.867 -0.286 717 HB2 ARG 671 1HB ARG 671 -23.552 -4.928 -0.623 718 HB3 ARG 671 2HB ARG 671 -23.657 -5.226 -2.350 719 HG2 ARG 671 1HG ARG 671 -26.027 -4.743 -2.323 720 HG3 ARG 671 2HG ARG 671 -25.982 -4.528 -0.571 721 HD2 ARG 671 1HD ARG 671 -24.547 -2.865 -2.637 722 HD3 ARG 671 2HD ARG 671 -25.921 -2.366 -1.649 723 HE ARG 671 HE ARG 671 -24.289 -2.845 0.290 724 HH11 ARG 671 1HH1 ARG 671 -23.348 -1.572 -2.839 725 HH12 ARG 671 2HH1 ARG 671 -22.006 -0.674 -2.207 726 HH21 ARG 671 1HH2 ARG 671 -22.499 -1.683 1.116 727 HH22 ARG 671 2HH2 ARG 671 -21.513 -0.745 0.040 728 H LEU 672 H LEU 672 -26.386 -8.427 -1.151 729 HA LEU 672 HA LEU 672 -26.182 -9.120 -3.955 730 HB2 LEU 672 1HB LEU 672 -28.137 -10.086 -1.852 731 HB3 LEU 672 2HB LEU 672 -27.882 -10.819 -3.422 732 HG LEU 672 HG LEU 672 -25.807 -10.691 -1.227 733 HD11 LEU 672 1HD1 LEU 672 -27.693 -12.097 -0.593 734 HD12 LEU 672 2HD1 LEU 672 -26.258 -13.067 -0.925 735 HD13 LEU 672 3HD1 LEU 672 -27.556 -12.978 -2.115 736 HD21 LEU 672 3HD2 LEU 672 -24.819 -10.804 -3.438 737 HD22 LEU 672 1HD2 LEU 672 -25.863 -12.162 -3.858 738 HD23 LEU 672 2HD2 LEU 672 -24.633 -12.349 -2.610 739 H1 ASP 840 1H ASP 840 2.416 -11.631 10.692 740 HA ASP 840 HA ASP 840 0.679 -10.736 9.538 741 HB2 ASP 840 1HB ASP 840 -0.286 -10.480 11.995 742 HB3 ASP 840 2HB ASP 840 0.196 -8.793 11.821 743 H ALA 841 H ALA 841 1.979 -9.877 7.969 744 HA ALA 841 HA ALA 841 2.643 -7.038 8.119 745 HB1 ALA 841 3HB ALA 841 3.040 -9.017 5.869 746 HB2 ALA 841 1HB ALA 841 4.256 -8.553 7.059 747 HB3 ALA 841 2HB ALA 841 3.647 -7.362 5.908 748 H GLY 842 H GLY 842 -0.027 -8.719 7.744 749 HA2 GLY 842 1HA GLY 842 -2.125 -8.098 7.094 750 HA3 GLY 842 2HA GLY 842 -1.456 -6.608 6.429 751 H ASN 843 H ASN 843 -1.393 -10.084 5.867 752 HA ASN 843 HA ASN 843 -0.924 -9.928 3.087 753 HB2 ASN 843 1HB ASN 843 -2.221 -12.101 4.749 754 HB3 ASN 843 2HB ASN 843 -1.843 -12.277 3.038 755 HD21 ASN 843 1HD2 ASN 843 0.617 -10.773 3.165 756 HD22 ASN 843 2HD2 ASN 843 1.765 -11.771 3.983 757 H ILE 844 H ILE 844 -3.811 -9.922 5.038 758 HA ILE 844 HA ILE 844 -5.319 -9.007 2.675 759 HB ILE 844 HB ILE 844 -6.566 -10.246 5.155 760 HG12 ILE 844 1HG1 ILE 844 -5.972 -11.540 2.475 761 HG13 ILE 844 2HG1 ILE 844 -5.181 -11.926 3.999 762 HG21 ILE 844 1HG2 ILE 844 -8.558 -10.409 3.758 763 HG22 ILE 844 2HG2 ILE 844 -7.684 -9.679 2.411 764 HG23 ILE 844 3HG2 ILE 844 -8.001 -8.738 3.867 765 HD11 ILE 844 3HD1 ILE 844 -6.849 -13.586 3.401 766 HD12 ILE 844 1HD1 ILE 844 -8.095 -12.340 3.374 767 HD13 ILE 844 2HD1 ILE 844 -7.290 -12.749 4.889 768 H LEU 845 H LEU 845 -6.507 -7.071 2.947 769 HA LEU 845 HA LEU 845 -5.330 -5.359 4.962 770 HB2 LEU 845 1HB LEU 845 -7.249 -4.796 2.699 771 HB3 LEU 845 2HB LEU 845 -6.628 -3.568 3.779 772 HG LEU 845 HG LEU 845 -4.294 -4.465 2.950 773 HD11 LEU 845 1HD1 LEU 845 -4.565 -4.960 0.441 774 HD12 LEU 845 2HD1 LEU 845 -6.216 -5.420 0.860 775 HD13 LEU 845 3HD1 LEU 845 -4.855 -6.267 1.592 776 HD21 LEU 845 3HD2 LEU 845 -5.130 -2.194 2.690 777 HD22 LEU 845 1HD2 LEU 845 -6.082 -2.695 1.294 778 HD23 LEU 845 2HD2 LEU 845 -4.320 -2.742 1.222 779 HA PRO 846 HA PRO 846 -8.917 -5.049 7.641 780 HB2 PRO 846 1HB PRO 846 -8.845 -2.109 7.457 781 HB3 PRO 846 2HB PRO 846 -8.638 -3.148 8.868 782 HG2 PRO 846 1HG PRO 846 -6.573 -1.814 7.794 783 HG3 PRO 846 2HG PRO 846 -6.376 -3.432 8.494 784 HD2 PRO 846 1HD PRO 846 -6.591 -2.626 5.619 785 HD3 PRO 846 2HD PRO 846 -5.520 -3.824 6.375 786 H SER 847 H SER 847 -10.954 -5.303 7.151 787 HA SER 847 HA SER 847 -12.052 -4.913 4.641 788 HB2 SER 847 1HB SER 847 -13.482 -5.224 7.286 789 HB3 SER 847 2HB SER 847 -14.197 -5.484 5.694 790 HG SER 847 HG SER 847 -12.082 -6.943 5.638 791 H ASP 848 H ASP 848 -12.180 -2.865 7.489 792 HA ASP 848 HA ASP 848 -14.262 -1.159 6.785 793 HB2 ASP 848 1HB ASP 848 -13.153 -1.256 9.017 794 HB3 ASP 848 2HB ASP 848 -11.797 -0.361 8.335 795 H ILE 849 H ILE 849 -10.820 -0.944 5.879 796 HA ILE 849 HA ILE 849 -10.958 1.650 4.752 797 HB ILE 849 HB ILE 849 -9.111 -0.462 3.635 798 HG12 ILE 849 1HG1 ILE 849 -9.023 -0.616 6.119 799 HG13 ILE 849 2HG1 ILE 849 -7.519 -0.034 5.423 800 HG21 ILE 849 1HG2 ILE 849 -9.106 1.698 2.540 801 HG22 ILE 849 2HG2 ILE 849 -7.589 1.467 3.415 802 HG23 ILE 849 3HG2 ILE 849 -8.844 2.510 4.084 803 HD11 ILE 849 3HD1 ILE 849 -8.100 1.166 7.458 804 HD12 ILE 849 1HD1 ILE 849 -9.627 1.676 6.734 805 HD13 ILE 849 2HD1 ILE 849 -8.096 2.244 6.064 806 H MET 850 H MET 850 -11.473 -1.567 3.448 807 HA MET 850 HA MET 850 -11.986 -0.835 0.773 808 HB2 MET 850 1HB MET 850 -12.967 -3.215 2.363 809 HB3 MET 850 2HB MET 850 -13.096 -3.065 0.619 810 HG2 MET 850 1HG MET 850 -10.518 -3.123 2.175 811 HG3 MET 850 2HG MET 850 -11.228 -4.491 1.326 812 HE1 MET 850 3HE MET 850 -8.699 -1.724 1.157 813 HE2 MET 850 1HE MET 850 -10.083 -0.718 0.730 814 HE3 MET 850 2HE MET 850 -8.827 -1.040 -0.463 815 H ASP 851 H ASP 851 -14.066 -1.136 3.611 816 HA ASP 851 HA ASP 851 -16.563 -0.781 2.424 817 HB2 ASP 851 1HB ASP 851 -15.434 -0.167 5.143 818 HB3 ASP 851 2HB ASP 851 -16.989 0.541 4.710 819 H PHE 852 H PHE 852 -14.127 1.626 3.305 820 HA PHE 852 HA PHE 852 -15.729 3.906 3.009 821 HB2 PHE 852 1HB PHE 852 -13.573 4.014 4.132 822 HB3 PHE 852 2HB PHE 852 -12.742 3.623 2.630 823 HD1 PHE 852 HD1 PHE 852 -15.442 6.051 3.511 824 HD2 PHE 852 HD2 PHE 852 -11.560 5.449 1.871 825 HE1 PHE 852 HE1 PHE 852 -15.305 8.443 2.964 826 HE2 PHE 852 HE2 PHE 852 -11.422 7.844 1.321 827 HZ PHE 852 HZ PHE 852 -13.294 9.342 1.869 828 H VAL 853 H VAL 853 -13.646 2.260 0.617 829 HA VAL 853 HA VAL 853 -14.031 4.219 -1.374 830 HB VAL 853 HB VAL 853 -12.161 2.601 -1.450 831 HG11 VAL 853 1HG1 VAL 853 -14.246 0.622 -2.351 832 HG12 VAL 853 2HG1 VAL 853 -13.344 0.561 -0.838 833 HG13 VAL 853 3HG1 VAL 853 -12.502 0.370 -2.375 834 HG21 VAL 853 3HG2 VAL 853 -12.181 2.294 -3.875 835 HG22 VAL 853 1HG2 VAL 853 -12.777 3.891 -3.423 836 HG23 VAL 853 2HG2 VAL 853 -13.911 2.631 -3.905 837 H LEU 854 H LEU 854 -15.778 1.228 -0.661 838 HA LEU 854 HA LEU 854 -17.650 1.444 -2.767 839 HB2 LEU 854 1HB LEU 854 -17.603 0.037 -0.133 840 HB3 LEU 854 2HB LEU 854 -19.132 0.182 -0.968 841 HG LEU 854 HG LEU 854 -17.908 -1.990 -1.306 842 HD11 LEU 854 1HD1 LEU 854 -18.447 -0.431 -3.831 843 HD12 LEU 854 2HD1 LEU 854 -19.669 -1.232 -2.846 844 HD13 LEU 854 3HD1 LEU 854 -18.426 -2.184 -3.654 845 HD21 LEU 854 3HD2 LEU 854 -16.064 -2.056 -2.887 846 HD22 LEU 854 1HD2 LEU 854 -15.643 -1.100 -1.466 847 HD23 LEU 854 2HD2 LEU 854 -16.065 -0.295 -2.978 848 H LYS 855 H LYS 855 -17.466 2.849 0.444 849 HA LYS 855 HA LYS 855 -20.178 3.716 0.558 850 HB2 LYS 855 1HB LYS 855 -18.909 3.368 2.606 851 HB3 LYS 855 2HB LYS 855 -17.772 4.627 2.148 852 HG2 LYS 855 1HG LYS 855 -19.326 5.451 3.843 853 HG3 LYS 855 2HG LYS 855 -19.553 6.302 2.313 854 HD2 LYS 855 1HD LYS 855 -21.704 5.774 3.268 855 HD3 LYS 855 2HD LYS 855 -21.462 4.816 1.808 856 HE2 LYS 855 1HE LYS 855 -22.440 3.464 3.578 857 HE3 LYS 855 2HE LYS 855 -20.823 2.892 3.175 858 HZ1 LYS 855 3HZ LYS 855 -19.971 4.073 5.111 859 HZ2 LYS 855 1HZ LYS 855 -21.158 2.954 5.555 860 HZ3 LYS 855 2HZ LYS 855 -21.531 4.601 5.499 861 H ASN 856 H ASN 856 -17.185 5.299 -0.479 862 HA ASN 856 HA ASN 856 -18.627 7.836 -0.726 863 HB2 ASN 856 1HB ASN 856 -16.567 8.910 -0.800 864 HB3 ASN 856 2HB ASN 856 -16.217 7.529 0.231 865 HD21 ASN 856 1HD2 ASN 856 -15.535 9.133 -2.709 866 HD22 ASN 856 2HD2 ASN 856 -14.319 8.044 -3.279 867 H THR 857 H THR 857 -18.765 9.002 -2.665 868 HA THR 857 HA THR 857 -18.160 7.544 -5.126 869 HB THR 857 HB THR 857 -20.833 8.830 -4.521 870 HG1 THR 857 HG1 THR 857 -19.855 6.267 -4.226 871 HG21 THR 857 1HG2 THR 857 -19.895 7.312 -6.959 872 HG22 THR 857 2HG2 THR 857 -20.204 9.045 -6.880 873 HG23 THR 857 3HG2 THR 857 -21.532 7.903 -6.683 874 HA PRO 858 HA PRO 858 -16.753 11.856 -5.666 875 HB2 PRO 858 1HB PRO 858 -14.843 10.728 -7.540 876 HB3 PRO 858 2HB PRO 858 -14.532 11.548 -6.010 877 HG2 PRO 858 1HG PRO 858 -14.082 8.890 -6.406 878 HG3 PRO 858 2HG PRO 858 -14.479 9.589 -4.826 879 HD2 PRO 858 1HD PRO 858 -16.248 8.142 -6.759 880 HD3 PRO 858 2HD PRO 858 -16.190 8.036 -4.987 Start of MODEL 5 1 H1 GLY 586 1H GLY 586 24.120 -9.281 1.221 2 HA2 GLY 586 1HA GLY 586 21.717 -9.755 0.889 3 HA3 GLY 586 2HA GLY 586 22.201 -11.372 0.382 4 H VAL 587 H VAL 587 22.609 -9.139 3.065 5 HA VAL 587 HA VAL 587 22.167 -11.365 4.942 6 HB VAL 587 HB VAL 587 23.799 -10.318 6.496 7 HG11 VAL 587 1HG1 VAL 587 24.461 -12.190 5.049 8 HG12 VAL 587 2HG1 VAL 587 25.806 -11.096 5.363 9 HG13 VAL 587 3HG1 VAL 587 24.972 -11.043 3.811 10 HG21 VAL 587 3HG2 VAL 587 23.757 -8.042 5.658 11 HG22 VAL 587 1HG2 VAL 587 24.445 -8.569 4.123 12 HG23 VAL 587 2HG2 VAL 587 25.402 -8.672 5.598 13 H ARG 588 H ARG 588 21.766 -10.352 7.246 14 HA ARG 588 HA ARG 588 19.332 -8.944 6.976 15 HB2 ARG 588 1HB ARG 588 19.179 -9.069 9.385 16 HB3 ARG 588 2HB ARG 588 19.789 -10.595 8.772 17 HG2 ARG 588 1HG ARG 588 21.118 -10.259 10.621 18 HG3 ARG 588 2HG ARG 588 22.123 -9.590 9.335 19 HD2 ARG 588 1HD ARG 588 21.417 -7.345 9.906 20 HD3 ARG 588 2HD ARG 588 20.297 -7.973 11.112 21 HE ARG 588 HE ARG 588 22.921 -8.843 11.687 22 HH11 ARG 588 1HH1 ARG 588 20.945 -5.955 11.737 23 HH12 ARG 588 2HH1 ARG 588 21.794 -5.243 13.072 24 HH21 ARG 588 1HH2 ARG 588 24.059 -7.894 13.434 25 HH22 ARG 588 2HH2 ARG 588 23.559 -6.345 14.040 26 H LYS 589 H LYS 589 22.368 -7.739 6.765 27 HA LYS 589 HA LYS 589 21.544 -5.123 7.810 28 HB2 LYS 589 1HB LYS 589 23.339 -5.756 9.168 29 HB3 LYS 589 2HB LYS 589 24.237 -6.456 7.817 30 HG2 LYS 589 1HG LYS 589 24.445 -4.100 6.922 31 HG3 LYS 589 2HG LYS 589 23.805 -3.550 8.472 32 HD2 LYS 589 1HD LYS 589 25.657 -4.677 9.623 33 HD3 LYS 589 2HD LYS 589 26.300 -5.200 8.065 34 HE2 LYS 589 1HE LYS 589 26.517 -2.829 7.404 35 HE3 LYS 589 2HE LYS 589 25.969 -2.360 9.011 36 HZ1 LYS 589 3HZ LYS 589 28.427 -3.888 8.379 37 HZ2 LYS 589 1HZ LYS 589 27.890 -3.521 9.939 38 HZ3 LYS 589 2HZ LYS 589 28.351 -2.281 8.889 39 H GLY 590 H GLY 590 20.906 -4.021 6.181 40 HA2 GLY 590 1HA GLY 590 22.138 -2.874 4.138 41 HA3 GLY 590 2HA GLY 590 21.907 -4.496 3.494 42 H TRP 591 H TRP 591 20.067 -1.963 5.156 43 HA TRP 591 HA TRP 591 17.562 -2.921 4.036 44 HB2 TRP 591 1HB TRP 591 17.624 -0.331 5.469 45 HB3 TRP 591 2HB TRP 591 16.538 -1.704 5.701 46 HD1 TRP 591 HD1 TRP 591 17.473 -3.680 7.400 47 HE1 TRP 591 HE1 TRP 591 19.195 -3.542 9.340 48 HE3 TRP 591 HE3 TRP 591 19.714 0.760 6.201 49 HZ2 TRP 591 HZ2 TRP 591 21.234 -1.798 10.199 50 HZ3 TRP 591 HZ3 TRP 591 21.535 1.591 7.629 51 HH2 TRP 591 HH2 TRP 591 22.276 0.335 9.586 52 H HIS 592 H HIS 592 19.389 0.127 4.046 53 HA HIS 592 HA HIS 592 17.705 1.175 1.912 54 HB2 HIS 592 1HB HIS 592 19.794 2.468 3.663 55 HB3 HIS 592 2HB HIS 592 18.947 3.313 2.373 56 HD1 HIS 592 HD1 HIS 592 18.833 3.093 5.846 57 HD2 HIS 592 HD2 HIS 592 15.918 2.839 2.895 58 HE1 HIS 592 HE1 HIS 592 16.655 3.581 7.002 59 HE2 HIS 592 HE2 HIS 592 14.894 3.265 5.229 60 H GLU 593 H GLU 593 20.144 -0.829 1.711 61 HA GLU 593 HA GLU 593 22.095 0.822 0.343 62 HB2 GLU 593 1HB GLU 593 23.576 -1.057 0.527 63 HB3 GLU 593 2HB GLU 593 22.767 -0.790 2.063 64 HG2 GLU 593 1HG GLU 593 22.542 -3.012 2.002 65 HG3 GLU 593 2HG GLU 593 21.115 -2.609 1.052 66 H HIS 594 H HIS 594 19.452 -1.152 -0.581 67 HA HIS 594 HA HIS 594 20.441 -1.110 -3.342 68 HB2 HIS 594 1HB HIS 594 19.248 -3.276 -3.770 69 HB3 HIS 594 2HB HIS 594 20.665 -3.426 -2.737 70 HD1 HIS 594 HD1 HIS 594 20.296 -4.261 -0.362 71 HD2 HIS 594 HD2 HIS 594 16.757 -3.728 -2.483 72 HE1 HIS 594 HE1 HIS 594 18.491 -5.318 1.046 73 HE2 HIS 594 HE2 HIS 594 16.369 -5.062 -0.294 74 H VAL 595 H VAL 595 18.481 0.480 -1.631 75 HA VAL 595 HA VAL 595 16.345 0.557 -3.623 76 HB VAL 595 HB VAL 595 15.936 0.181 -0.661 77 HG11 VAL 595 1HG1 VAL 595 13.910 1.155 -2.675 78 HG12 VAL 595 2HG1 VAL 595 14.528 2.048 -1.286 79 HG13 VAL 595 3HG1 VAL 595 13.530 0.614 -1.039 80 HG21 VAL 595 3HG2 VAL 595 14.497 -1.638 -1.318 81 HG22 VAL 595 1HG2 VAL 595 16.071 -1.825 -2.087 82 HG23 VAL 595 2HG2 VAL 595 14.705 -1.225 -3.020 83 H THR 596 H THR 596 15.721 2.610 -4.098 84 HA THR 596 HA THR 596 17.011 4.773 -2.630 85 HB THR 596 HB THR 596 17.289 4.820 -5.041 86 HG1 THR 596 HG1 THR 596 16.883 6.931 -5.238 87 HG21 THR 596 1HG2 THR 596 15.403 5.126 -6.560 88 HG22 THR 596 2HG2 THR 596 14.283 4.986 -5.207 89 HG23 THR 596 3HG2 THR 596 15.267 3.605 -5.679 90 H GLN 597 H GLN 597 15.648 6.824 -2.337 91 HA GLN 597 HA GLN 597 13.504 6.187 -0.599 92 HB2 GLN 597 1HB GLN 597 14.825 8.156 -0.187 93 HB3 GLN 597 2HB GLN 597 14.438 8.810 -1.770 94 HG2 GLN 597 1HG GLN 597 13.203 9.963 -0.047 95 HG3 GLN 597 2HG GLN 597 12.107 9.070 -1.096 96 HE21 GLN 597 1HE2 GLN 597 10.500 9.057 0.461 97 HE22 GLN 597 2HE2 GLN 597 10.579 8.060 1.861 98 H ASP 598 H ASP 598 13.659 7.527 -3.844 99 HA ASP 598 HA ASP 598 10.957 8.147 -4.186 100 HB2 ASP 598 1HB ASP 598 12.627 8.946 -5.754 101 HB3 ASP 598 2HB ASP 598 12.967 7.299 -6.277 102 H LEU 599 H LEU 599 12.666 5.110 -4.772 103 HA LEU 599 HA LEU 599 10.662 3.667 -6.000 104 HB2 LEU 599 1HB LEU 599 13.081 2.988 -5.507 105 HB3 LEU 599 2HB LEU 599 12.509 2.514 -3.919 106 HG LEU 599 HG LEU 599 10.940 0.921 -4.978 107 HD11 LEU 599 1HD1 LEU 599 11.293 0.395 -7.373 108 HD12 LEU 599 2HD1 LEU 599 12.311 1.831 -7.493 109 HD13 LEU 599 3HD1 LEU 599 10.606 1.994 -7.089 110 HD21 LEU 599 3HD2 LEU 599 13.092 0.116 -4.219 111 HD22 LEU 599 1HD2 LEU 599 13.842 0.606 -5.738 112 HD23 LEU 599 2HD2 LEU 599 12.650 -0.691 -5.721 113 H ARG 600 H ARG 600 11.322 4.009 -2.526 114 HA ARG 600 HA ARG 600 9.287 2.290 -1.643 115 HB2 ARG 600 1HB ARG 600 10.459 4.656 -0.173 116 HB3 ARG 600 2HB ARG 600 9.576 3.320 0.552 117 HG2 ARG 600 1HG ARG 600 11.385 1.809 -0.360 118 HG3 ARG 600 2HG ARG 600 12.295 3.280 -0.713 119 HD2 ARG 600 1HD ARG 600 11.304 2.369 1.981 120 HD3 ARG 600 2HD ARG 600 12.975 2.384 1.424 121 HE ARG 600 HE ARG 600 12.687 4.878 1.305 122 HH11 ARG 600 1HH1 ARG 600 10.727 2.938 3.465 123 HH12 ARG 600 2HH1 ARG 600 10.577 4.198 4.651 124 HH21 ARG 600 1HH2 ARG 600 12.475 6.534 2.866 125 HH22 ARG 600 2HH2 ARG 600 11.568 6.230 4.316 126 H SER 601 H SER 601 9.315 5.833 -2.005 127 HA SER 601 HA SER 601 6.705 6.194 -0.990 128 HB2 SER 601 1HB SER 601 6.939 8.466 -2.172 129 HB3 SER 601 2HB SER 601 8.119 8.082 -0.920 130 HG SER 601 HG SER 601 8.443 8.064 -3.726 131 H HIS 602 H HIS 602 7.995 5.721 -4.240 132 HA HIS 602 HA HIS 602 5.674 6.360 -5.687 133 HB2 HIS 602 1HB HIS 602 8.060 5.938 -6.568 134 HB3 HIS 602 2HB HIS 602 7.619 4.233 -6.568 135 HD1 HIS 602 HD1 HIS 602 6.989 7.444 -8.365 136 HD2 HIS 602 HD2 HIS 602 5.802 3.465 -8.563 137 HE1 HIS 602 HE1 HIS 602 5.876 7.182 -10.601 138 HE2 HIS 602 HE2 HIS 602 5.339 4.729 -10.773 139 H LEU 603 H LEU 603 6.837 3.256 -4.438 140 HA LEU 603 HA LEU 603 4.734 1.669 -5.386 141 HB2 LEU 603 1HB LEU 603 6.357 1.233 -2.881 142 HB3 LEU 603 2HB LEU 603 5.420 0.025 -3.735 143 HG LEU 603 HG LEU 603 7.775 1.468 -4.950 144 HD11 LEU 603 1HD1 LEU 603 9.045 -0.553 -4.563 145 HD12 LEU 603 2HD1 LEU 603 7.664 -1.290 -3.752 146 HD13 LEU 603 3HD1 LEU 603 8.463 0.108 -3.035 147 HD21 LEU 603 3HD2 LEU 603 6.259 -0.991 -5.811 148 HD22 LEU 603 1HD2 LEU 603 7.669 -0.307 -6.617 149 HD23 LEU 603 2HD2 LEU 603 6.158 0.601 -6.563 150 H VAL 604 H VAL 604 5.016 3.610 -2.462 151 HA VAL 604 HA VAL 604 2.800 2.602 -1.070 152 HB VAL 604 HB VAL 604 4.041 5.360 -1.040 153 HG11 VAL 604 1HG1 VAL 604 2.063 4.186 0.911 154 HG12 VAL 604 2HG1 VAL 604 1.712 5.455 -0.263 155 HG13 VAL 604 3HG1 VAL 604 2.857 5.754 1.043 156 HG21 VAL 604 3HG2 VAL 604 5.040 4.590 1.065 157 HG22 VAL 604 1HG2 VAL 604 5.524 3.582 -0.298 158 HG23 VAL 604 2HG2 VAL 604 4.296 3.007 0.830 159 H HIS 605 H HIS 605 3.071 5.163 -3.516 160 HA HIS 605 HA HIS 605 0.367 6.001 -3.375 161 HB2 HIS 605 1HB HIS 605 2.382 6.228 -5.615 162 HB3 HIS 605 2HB HIS 605 0.763 6.913 -5.705 163 HD1 HIS 605 HD1 HIS 605 0.840 9.337 -5.272 164 HD2 HIS 605 HD2 HIS 605 3.611 7.279 -2.957 165 HE1 HIS 605 HE1 HIS 605 1.993 11.083 -3.880 166 HE2 HIS 605 HE2 HIS 605 3.557 9.794 -2.387 167 H LYS 606 H LYS 606 2.026 3.526 -5.259 168 HA LYS 606 HA LYS 606 -0.083 2.738 -6.918 169 HB2 LYS 606 1HB LYS 606 2.185 1.159 -5.703 170 HB3 LYS 606 2HB LYS 606 1.062 0.474 -6.871 171 HG2 LYS 606 1HG LYS 606 2.799 2.879 -7.385 172 HG3 LYS 606 2HG LYS 606 3.205 1.226 -7.853 173 HD2 LYS 606 1HD LYS 606 1.076 1.158 -9.160 174 HD3 LYS 606 2HD LYS 606 0.867 2.873 -8.807 175 HE2 LYS 606 1HE LYS 606 2.986 3.361 -9.922 176 HE3 LYS 606 2HE LYS 606 3.206 1.647 -10.264 177 HZ1 LYS 606 3HZ LYS 606 1.182 1.700 -11.596 178 HZ2 LYS 606 1HZ LYS 606 2.327 2.801 -12.180 179 HZ3 LYS 606 2HZ LYS 606 1.003 3.351 -11.286 180 H LEU 607 H LEU 607 0.756 1.756 -3.626 181 HA LEU 607 HA LEU 607 -1.290 -0.171 -3.328 182 HB2 LEU 607 1HB LEU 607 0.756 0.085 -1.890 183 HB3 LEU 607 2HB LEU 607 -0.001 1.482 -1.155 184 HG LEU 607 HG LEU 607 -1.409 -1.166 -1.098 185 HD11 LEU 607 1HD1 LEU 607 -0.307 -1.664 1.024 186 HD12 LEU 607 2HD1 LEU 607 0.741 -0.262 0.811 187 HD13 LEU 607 3HD1 LEU 607 0.849 -1.621 -0.307 188 HD21 LEU 607 3HD2 LEU 607 -2.619 0.826 -0.356 189 HD22 LEU 607 1HD2 LEU 607 -1.328 1.190 0.789 190 HD23 LEU 607 2HD2 LEU 607 -2.304 -0.264 0.994 191 H VAL 608 H VAL 608 -1.102 3.234 -2.247 192 HA VAL 608 HA VAL 608 -3.687 3.519 -1.305 193 HB VAL 608 HB VAL 608 -1.994 5.572 -2.746 194 HG11 VAL 608 1HG1 VAL 608 -4.341 6.253 -2.704 195 HG12 VAL 608 2HG1 VAL 608 -3.363 7.260 -1.637 196 HG13 VAL 608 3HG1 VAL 608 -4.387 5.997 -0.960 197 HG21 VAL 608 3HG2 VAL 608 -2.348 5.011 0.196 198 HG22 VAL 608 1HG2 VAL 608 -1.382 6.312 -0.500 199 HG23 VAL 608 2HG2 VAL 608 -0.922 4.631 -0.768 200 H GLN 609 H GLN 609 -2.473 3.829 -4.607 201 HA GLN 609 HA GLN 609 -4.744 4.750 -5.910 202 HB2 GLN 609 1HB GLN 609 -2.451 4.483 -6.887 203 HB3 GLN 609 2HB GLN 609 -2.734 2.754 -6.979 204 HG2 GLN 609 1HG GLN 609 -3.097 3.666 -9.135 205 HG3 GLN 609 2HG GLN 609 -4.669 3.214 -8.482 206 HE21 GLN 609 1HE2 GLN 609 -2.895 6.073 -7.502 207 HE22 GLN 609 2HE2 GLN 609 -3.976 7.216 -8.205 208 H ALA 610 H ALA 610 -3.818 1.461 -5.029 209 HA ALA 610 HA ALA 610 -5.865 0.083 -6.358 210 HB1 ALA 610 3HB ALA 610 -3.873 -1.010 -5.449 211 HB2 ALA 610 1HB ALA 610 -5.355 -1.772 -4.872 212 HB3 ALA 610 2HB ALA 610 -4.449 -0.693 -3.812 213 H ILE 611 H ILE 611 -5.783 1.586 -3.149 214 HA ILE 611 HA ILE 611 -8.378 0.506 -2.478 215 HB ILE 611 HB ILE 611 -6.601 2.514 -0.999 216 HG12 ILE 611 1HG1 ILE 611 -7.185 -0.252 0.066 217 HG13 ILE 611 2HG1 ILE 611 -5.949 -0.030 -1.184 218 HG21 ILE 611 1HG2 ILE 611 -8.988 2.858 -0.463 219 HG22 ILE 611 2HG2 ILE 611 -8.019 2.352 0.919 220 HG23 ILE 611 3HG2 ILE 611 -9.074 1.191 0.119 221 HD11 ILE 611 3HD1 ILE 611 -4.993 -0.036 1.040 222 HD12 ILE 611 1HD1 ILE 611 -6.035 1.305 1.511 223 HD13 ILE 611 2HD1 ILE 611 -4.790 1.544 0.287 224 H PHE 612 H PHE 612 -7.084 3.456 -3.815 225 HA PHE 612 HA PHE 612 -9.742 4.503 -4.187 226 HB2 PHE 612 1HB PHE 612 -9.049 5.178 -1.850 227 HB3 PHE 612 2HB PHE 612 -7.771 6.132 -2.586 228 HD1 PHE 612 HD2 PHE 612 -11.447 5.651 -3.022 229 HD2 PHE 612 HD1 PHE 612 -8.189 8.363 -2.777 230 HE1 PHE 612 HE2 PHE 612 -13.013 7.535 -3.245 231 HE2 PHE 612 HE1 PHE 612 -9.743 10.255 -2.991 232 HZ PHE 612 HZ PHE 612 -12.159 9.846 -3.229 233 HA PRO 613 HA PRO 613 -6.819 5.567 -7.522 234 HB2 PRO 613 1HB PRO 613 -8.507 5.075 -9.593 235 HB3 PRO 613 2HB PRO 613 -7.634 3.786 -8.755 236 HG2 PRO 613 1HG PRO 613 -10.493 4.603 -8.542 237 HG3 PRO 613 2HG PRO 613 -9.772 2.991 -8.412 238 HD2 PRO 613 1HD PRO 613 -10.606 4.581 -6.264 239 HD3 PRO 613 2HD PRO 613 -9.488 3.195 -6.167 240 H THR 614 H THR 614 -10.183 6.611 -7.187 241 HA THR 614 HA THR 614 -10.179 8.633 -9.113 242 HB THR 614 HB THR 614 -12.140 9.554 -7.793 243 HG1 THR 614 HG1 THR 614 -11.403 8.705 -5.744 244 HG21 THR 614 1HG2 THR 614 -12.144 6.610 -8.507 245 HG22 THR 614 2HG2 THR 614 -12.420 7.950 -9.619 246 HG23 THR 614 3HG2 THR 614 -13.574 7.627 -8.326 247 HA PRO 615 HA PRO 615 -7.749 11.675 -6.801 248 HB2 PRO 615 1HB PRO 615 -7.637 13.166 -9.288 249 HB3 PRO 615 2HB PRO 615 -6.327 12.314 -8.450 250 HG2 PRO 615 1HG PRO 615 -7.315 11.481 -10.857 251 HG3 PRO 615 2HG PRO 615 -6.617 10.367 -9.657 252 HD2 PRO 615 1HD PRO 615 -9.514 11.021 -10.190 253 HD3 PRO 615 2HD PRO 615 -8.759 9.424 -9.956 254 H ASP 616 H ASP 616 -9.983 12.027 -5.867 255 HA ASP 616 HA ASP 616 -11.489 14.243 -6.963 256 HB2 ASP 616 1HB ASP 616 -12.659 12.443 -5.712 257 HB3 ASP 616 2HB ASP 616 -11.730 12.848 -4.272 258 HA PRO 617 HA PRO 617 -8.673 17.247 -5.335 259 HB2 PRO 617 1HB PRO 617 -10.396 19.426 -5.559 260 HB3 PRO 617 2HB PRO 617 -9.400 18.776 -6.871 261 HG2 PRO 617 1HG PRO 617 -12.285 18.296 -6.254 262 HG3 PRO 617 2HG PRO 617 -11.496 18.539 -7.827 263 HD2 PRO 617 1HD PRO 617 -12.212 16.097 -6.998 264 HD3 PRO 617 2HD PRO 617 -10.711 16.349 -7.924 265 H ALA 618 H ALA 618 -11.903 16.778 -4.032 266 HA ALA 618 HA ALA 618 -11.365 18.410 -1.699 267 HB1 ALA 618 3HB ALA 618 -13.593 17.675 -0.960 268 HB2 ALA 618 1HB ALA 618 -13.694 16.614 -2.364 269 HB3 ALA 618 2HB ALA 618 -13.624 18.362 -2.583 270 H ALA 619 H ALA 619 -11.955 14.975 -2.399 271 HA ALA 619 HA ALA 619 -11.323 13.931 0.100 272 HB1 ALA 619 3HB ALA 619 -10.734 12.632 -2.554 273 HB2 ALA 619 1HB ALA 619 -12.318 12.661 -1.780 274 HB3 ALA 619 2HB ALA 619 -10.973 11.826 -1.005 275 H LEU 620 H LEU 620 -9.226 15.050 -2.452 276 HA LEU 620 HA LEU 620 -6.796 13.924 -1.607 277 HB2 LEU 620 1HB LEU 620 -7.643 15.738 -3.568 278 HB3 LEU 620 2HB LEU 620 -6.477 16.626 -2.607 279 HG LEU 620 HG LEU 620 -5.391 15.606 -4.519 280 HD11 LEU 620 1HD1 LEU 620 -4.090 15.796 -2.467 281 HD12 LEU 620 2HD1 LEU 620 -3.622 14.368 -3.388 282 HD13 LEU 620 3HD1 LEU 620 -4.642 14.199 -1.960 283 HD21 LEU 620 3HD2 LEU 620 -5.276 13.188 -4.794 284 HD22 LEU 620 1HD2 LEU 620 -6.941 13.757 -4.879 285 HD23 LEU 620 2HD2 LEU 620 -6.352 12.970 -3.415 286 H LYS 621 H LYS 621 -8.611 16.682 -0.501 287 HA LYS 621 HA LYS 621 -6.506 17.431 1.400 288 HB2 LYS 621 1HB LYS 621 -9.105 18.819 0.673 289 HB3 LYS 621 2HB LYS 621 -7.886 19.445 1.777 290 HG2 LYS 621 1HG LYS 621 -6.307 19.696 0.011 291 HG3 LYS 621 2HG LYS 621 -7.355 18.838 -1.121 292 HD2 LYS 621 1HD LYS 621 -7.455 21.248 -1.486 293 HD3 LYS 621 2HD LYS 621 -9.011 20.625 -0.943 294 HE2 LYS 621 1HE LYS 621 -8.481 21.367 1.344 295 HE3 LYS 621 2HE LYS 621 -6.961 22.040 0.756 296 HZ1 LYS 621 3HZ LYS 621 -9.676 22.875 -0.104 297 HZ2 LYS 621 1HZ LYS 621 -8.222 23.519 -0.682 298 HZ3 LYS 621 2HZ LYS 621 -8.660 23.735 0.938 299 H ASP 622 H ASP 622 -8.478 15.060 1.549 300 HA ASP 622 HA ASP 622 -9.986 15.803 3.939 301 HB2 ASP 622 1HB ASP 622 -11.210 14.627 2.162 302 HB3 ASP 622 2HB ASP 622 -10.097 13.266 2.280 303 H ARG 623 H ARG 623 -9.404 15.248 5.889 304 HA ARG 623 HA ARG 623 -6.890 14.309 6.526 305 HB2 ARG 623 1HB ARG 623 -9.412 14.466 8.159 306 HB3 ARG 623 2HB ARG 623 -7.863 14.004 8.845 307 HG2 ARG 623 1HG ARG 623 -6.918 16.137 8.289 308 HG3 ARG 623 2HG ARG 623 -8.380 16.605 7.423 309 HD2 ARG 623 1HD ARG 623 -8.219 15.990 10.371 310 HD3 ARG 623 2HD ARG 623 -8.248 17.607 9.670 311 HE ARG 623 HE ARG 623 -10.481 16.376 8.677 312 HH11 ARG 623 1HH1 ARG 623 -9.232 17.074 11.870 313 HH12 ARG 623 2HH1 ARG 623 -10.801 17.185 12.602 314 HH21 ARG 623 1HH2 ARG 623 -12.552 16.519 9.633 315 HH22 ARG 623 2HH2 ARG 623 -12.691 16.863 11.330 316 H ARG 624 H ARG 624 -9.890 12.451 6.207 317 HA ARG 624 HA ARG 624 -8.917 10.148 7.513 318 HB2 ARG 624 1HB ARG 624 -11.221 10.652 5.674 319 HB3 ARG 624 2HB ARG 624 -10.762 8.994 6.029 320 HG2 ARG 624 1HG ARG 624 -10.894 10.464 8.476 321 HG3 ARG 624 2HG ARG 624 -12.379 10.722 7.561 322 HD2 ARG 624 1HD ARG 624 -12.607 8.785 9.037 323 HD3 ARG 624 2HD ARG 624 -12.664 8.288 7.342 324 HE ARG 624 HE ARG 624 -10.025 8.141 8.465 325 HH11 ARG 624 1HH1 ARG 624 -13.092 6.473 8.206 326 HH12 ARG 624 2HH1 ARG 624 -12.400 4.896 8.433 327 HH21 ARG 624 1HH2 ARG 624 -9.115 6.057 8.797 328 HH22 ARG 624 2HH2 ARG 624 -10.145 4.662 8.774 329 H MET 625 H MET 625 -8.782 11.168 4.121 330 HA MET 625 HA MET 625 -7.776 8.809 3.027 331 HB2 MET 625 1HB MET 625 -8.345 10.520 1.489 332 HB3 MET 625 2HB MET 625 -7.281 11.689 2.258 333 HG2 MET 625 1HG MET 625 -5.324 10.328 1.545 334 HG3 MET 625 2HG MET 625 -6.435 9.258 0.689 335 HE1 MET 625 3HE MET 625 -8.552 11.223 -0.614 336 HE2 MET 625 1HE MET 625 -7.759 9.882 -1.439 337 HE3 MET 625 2HE MET 625 -7.783 11.480 -2.180 338 H GLU 626 H GLU 626 -6.132 11.323 4.862 339 HA GLU 626 HA GLU 626 -3.484 10.601 4.385 340 HB2 GLU 626 1HB GLU 626 -4.729 11.771 6.877 341 HB3 GLU 626 2HB GLU 626 -2.998 11.681 6.575 342 HG2 GLU 626 1HG GLU 626 -3.297 13.079 4.579 343 HG3 GLU 626 2HG GLU 626 -5.016 13.208 4.948 344 H ASN 627 H ASN 627 -5.839 9.290 6.654 345 HA ASN 627 HA ASN 627 -4.106 7.697 8.189 346 HB2 ASN 627 1HB ASN 627 -6.985 7.104 7.449 347 HB3 ASN 627 2HB ASN 627 -6.100 6.368 8.783 348 HD21 ASN 627 1HD2 ASN 627 -4.825 9.016 9.440 349 HD22 ASN 627 2HD2 ASN 627 -6.066 9.951 10.218 350 H LEU 628 H LEU 628 -5.854 7.074 5.190 351 HA LEU 628 HA LEU 628 -5.155 4.300 5.036 352 HB2 LEU 628 1HB LEU 628 -6.643 4.287 3.364 353 HB3 LEU 628 2HB LEU 628 -6.902 5.995 3.658 354 HG LEU 628 HG LEU 628 -4.896 6.288 1.985 355 HD11 LEU 628 1HD1 LEU 628 -4.327 3.935 1.812 356 HD12 LEU 628 2HD1 LEU 628 -4.882 4.552 0.256 357 HD13 LEU 628 3HD1 LEU 628 -5.956 3.566 1.244 358 HD21 LEU 628 3HD2 LEU 628 -7.163 7.092 1.610 359 HD22 LEU 628 1HD2 LEU 628 -7.666 5.480 1.107 360 HD23 LEU 628 2HD2 LEU 628 -6.500 6.382 0.139 361 H VAL 629 H VAL 629 -3.776 7.286 3.749 362 HA VAL 629 HA VAL 629 -1.760 6.054 2.172 363 HB VAL 629 HB VAL 629 -1.709 8.801 3.441 364 HG11 VAL 629 1HG1 VAL 629 -0.171 7.679 1.100 365 HG12 VAL 629 2HG1 VAL 629 0.488 8.065 2.688 366 HG13 VAL 629 3HG1 VAL 629 -0.127 9.353 1.652 367 HG21 VAL 629 3HG2 VAL 629 -2.545 9.607 1.278 368 HG22 VAL 629 1HG2 VAL 629 -3.692 8.519 2.060 369 HG23 VAL 629 2HG2 VAL 629 -2.699 7.940 0.724 370 H ALA 630 H ALA 630 -1.872 7.276 5.483 371 HA ALA 630 HA ALA 630 0.798 6.777 6.160 372 HB1 ALA 630 3HB ALA 630 -1.663 6.902 7.895 373 HB2 ALA 630 1HB ALA 630 -0.546 8.213 7.527 374 HB3 ALA 630 2HB ALA 630 -0.010 6.849 8.510 375 H TYR 631 H TYR 631 -2.080 4.697 6.312 376 HA TYR 631 HA TYR 631 -0.797 2.507 7.554 377 HB2 TYR 631 1HB TYR 631 -3.297 2.698 7.312 378 HB3 TYR 631 2HB TYR 631 -3.104 2.302 5.605 379 HD1 TYR 631 HD1 TYR 631 -2.149 1.014 8.971 380 HD2 TYR 631 HD2 TYR 631 -3.276 0.059 4.980 381 HE1 TYR 631 HE1 TYR 631 -2.153 -1.371 9.552 382 HE2 TYR 631 HE2 TYR 631 -3.282 -2.332 5.556 383 HH TYR 631 HH TYR 631 -3.159 -3.461 8.757 384 H ALA 632 H ALA 632 -1.095 3.493 4.179 385 HA ALA 632 HA ALA 632 0.011 1.230 2.959 386 HB1 ALA 632 3HB ALA 632 0.294 4.107 2.086 387 HB2 ALA 632 1HB ALA 632 -1.071 3.054 1.708 388 HB3 ALA 632 2HB ALA 632 0.533 2.682 1.075 389 H LYS 633 H LYS 633 1.566 4.074 4.414 390 HA LYS 633 HA LYS 633 4.228 3.392 3.863 391 HB2 LYS 633 1HB LYS 633 2.824 5.269 5.571 392 HB3 LYS 633 2HB LYS 633 4.228 4.606 6.391 393 HG2 LYS 633 1HG LYS 633 4.848 6.642 5.280 394 HG3 LYS 633 2HG LYS 633 5.625 5.280 4.464 395 HD2 LYS 633 1HD LYS 633 4.812 6.646 2.730 396 HD3 LYS 633 2HD LYS 633 3.648 5.324 2.862 397 HE2 LYS 633 1HE LYS 633 2.526 7.480 2.600 398 HE3 LYS 633 2HE LYS 633 2.152 6.740 4.156 399 HZ1 LYS 633 3HZ LYS 633 4.160 8.884 3.714 400 HZ2 LYS 633 1HZ LYS 633 3.754 8.195 5.203 401 HZ3 LYS 633 2HZ LYS 633 2.614 9.107 4.357 402 H LYS 634 H LYS 634 2.087 2.449 6.530 403 HA LYS 634 HA LYS 634 3.938 1.061 8.099 404 HB2 LYS 634 1HB LYS 634 0.989 0.908 7.731 405 HB3 LYS 634 2HB LYS 634 1.772 -0.452 8.521 406 HG2 LYS 634 1HG LYS 634 0.951 1.104 10.162 407 HG3 LYS 634 2HG LYS 634 2.711 1.076 10.194 408 HD2 LYS 634 1HD LYS 634 2.761 3.131 8.864 409 HD3 LYS 634 2HD LYS 634 0.995 3.155 8.845 410 HE2 LYS 634 1HE LYS 634 1.022 3.258 11.322 411 HE3 LYS 634 2HE LYS 634 2.781 3.374 11.263 412 HZ1 LYS 634 3HZ LYS 634 2.568 5.422 10.006 413 HZ2 LYS 634 1HZ LYS 634 1.754 5.542 11.485 414 HZ3 LYS 634 2HZ LYS 634 0.880 5.307 10.057 415 H VAL 635 H VAL 635 1.880 -0.123 5.457 416 HA VAL 635 HA VAL 635 2.796 -2.725 5.312 417 HB VAL 635 HB VAL 635 1.768 -0.845 3.208 418 HG11 VAL 635 1HG1 VAL 635 1.729 -2.708 1.607 419 HG12 VAL 635 2HG1 VAL 635 2.641 -3.695 2.746 420 HG13 VAL 635 3HG1 VAL 635 3.377 -2.257 2.043 421 HG21 VAL 635 3HG2 VAL 635 -0.121 -2.371 3.202 422 HG22 VAL 635 1HG2 VAL 635 0.211 -1.828 4.847 423 HG23 VAL 635 2HG2 VAL 635 0.713 -3.439 4.329 424 H GLU 636 H GLU 636 4.120 0.124 3.621 425 HA GLU 636 HA GLU 636 6.241 -1.121 2.358 426 HB2 GLU 636 1HB GLU 636 5.436 1.148 1.879 427 HB3 GLU 636 2HB GLU 636 6.028 1.694 3.444 428 HG2 GLU 636 1HG GLU 636 7.970 0.424 1.635 429 HG3 GLU 636 2HG GLU 636 7.364 2.013 1.184 430 H GLY 637 H GLY 637 6.036 0.255 5.631 431 HA2 GLY 637 1HA GLY 637 8.741 -0.147 6.339 432 HA3 GLY 637 2HA GLY 637 7.407 0.022 7.467 433 H ASP 638 H ASP 638 5.873 -2.175 6.912 434 HA ASP 638 HA ASP 638 7.165 -4.210 8.345 435 HB2 ASP 638 1HB ASP 638 4.746 -4.021 8.305 436 HB3 ASP 638 2HB ASP 638 4.715 -4.343 6.573 437 H MET 639 H MET 639 6.542 -3.889 4.882 438 HA MET 639 HA MET 639 7.574 -6.350 4.040 439 HB2 MET 639 1HB MET 639 7.759 -3.730 2.520 440 HB3 MET 639 2HB MET 639 7.886 -5.345 1.829 441 HG2 MET 639 1HG MET 639 5.438 -4.145 3.120 442 HG3 MET 639 2HG MET 639 5.691 -4.343 1.382 443 HE1 MET 639 3HE MET 639 3.416 -5.412 1.251 444 HE2 MET 639 1HE MET 639 3.045 -5.544 2.972 445 HE3 MET 639 2HE MET 639 2.954 -6.969 1.936 446 H TYR 640 H TYR 640 9.131 -3.392 4.861 447 HA TYR 640 HA TYR 640 11.525 -3.615 3.564 448 HB2 TYR 640 1HB TYR 640 10.595 -1.777 5.382 449 HB3 TYR 640 2HB TYR 640 11.956 -2.509 6.239 450 HD1 TYR 640 HD1 TYR 640 10.964 -0.912 3.064 451 HD2 TYR 640 HD2 TYR 640 14.168 -1.923 5.665 452 HE1 TYR 640 HE1 TYR 640 12.481 0.434 1.695 453 HE2 TYR 640 HE2 TYR 640 15.704 -0.572 4.302 454 HH TYR 640 HH TYR 640 15.815 0.213 1.903 455 H GLU 641 H GLU 641 10.732 -5.333 6.578 456 HA GLU 641 HA GLU 641 13.396 -6.225 7.086 457 HB2 GLU 641 1HB GLU 641 10.696 -7.289 7.853 458 HB3 GLU 641 2HB GLU 641 12.136 -8.270 8.155 459 HG2 GLU 641 1HG GLU 641 11.713 -7.083 10.192 460 HG3 GLU 641 2HG GLU 641 13.041 -6.198 9.428 461 H SER 642 H SER 642 10.681 -7.736 5.416 462 HA SER 642 HA SER 642 12.064 -9.974 4.421 463 HB2 SER 642 1HB SER 642 9.626 -8.640 3.235 464 HB3 SER 642 2HB SER 642 10.120 -10.322 3.026 465 HG SER 642 HG SER 642 8.495 -9.472 4.816 466 H ALA 643 H ALA 643 11.478 -6.780 3.096 467 HA ALA 643 HA ALA 643 12.309 -6.982 0.493 468 HB1 ALA 643 3HB ALA 643 12.778 -4.619 2.281 469 HB2 ALA 643 1HB ALA 643 11.234 -5.034 1.534 470 HB3 ALA 643 2HB ALA 643 12.619 -4.615 0.524 471 H ASN 644 H ASN 644 14.294 -8.293 2.437 472 HA ASN 644 HA ASN 644 16.774 -6.910 2.165 473 HB2 ASN 644 1HB ASN 644 16.210 -8.752 3.879 474 HB3 ASN 644 2HB ASN 644 16.361 -9.905 2.559 475 HD21 ASN 644 1HD2 ASN 644 18.385 -7.045 3.041 476 HD22 ASN 644 2HD2 ASN 644 19.853 -7.908 3.363 477 H SER 645 H SER 645 14.841 -8.296 -0.132 478 HA SER 645 HA SER 645 17.065 -8.341 -2.009 479 HB2 SER 645 1HB SER 645 16.115 -10.373 -3.115 480 HB3 SER 645 2HB SER 645 16.759 -10.687 -1.506 481 HG SER 645 HG SER 645 14.790 -11.029 -0.757 482 H ARG 646 H ARG 646 16.499 -7.656 -4.085 483 HA ARG 646 HA ARG 646 14.476 -5.765 -4.290 484 HB2 ARG 646 1HB ARG 646 15.894 -7.294 -6.474 485 HB3 ARG 646 2HB ARG 646 14.854 -5.910 -6.771 486 HG2 ARG 646 1HG ARG 646 17.282 -5.794 -5.003 487 HG3 ARG 646 2HG ARG 646 17.318 -5.441 -6.731 488 HD2 ARG 646 1HD ARG 646 15.588 -4.023 -4.709 489 HD3 ARG 646 2HD ARG 646 17.125 -3.417 -5.321 490 HE ARG 646 HE ARG 646 15.054 -4.023 -7.286 491 HH11 ARG 646 1HH1 ARG 646 16.784 -1.598 -5.440 492 HH12 ARG 646 2HH1 ARG 646 16.289 -0.289 -6.466 493 HH21 ARG 646 1HH2 ARG 646 14.408 -2.310 -8.635 494 HH22 ARG 646 2HH2 ARG 646 14.935 -0.694 -8.288 495 H ASP 647 H ASP 647 14.483 -9.090 -5.530 496 HA ASP 647 HA ASP 647 11.999 -8.953 -6.831 497 HB2 ASP 647 1HB ASP 647 13.576 -10.721 -7.345 498 HB3 ASP 647 2HB ASP 647 13.453 -11.356 -5.705 499 H GLU 648 H GLU 648 12.833 -9.933 -3.538 500 HA GLU 648 HA GLU 648 10.320 -10.928 -2.792 501 HB2 GLU 648 1HB GLU 648 12.476 -11.124 -1.482 502 HB3 GLU 648 2HB GLU 648 12.209 -9.472 -0.944 503 HG2 GLU 648 1HG GLU 648 11.439 -10.935 0.762 504 HG3 GLU 648 2HG GLU 648 10.024 -10.204 0.006 505 H TYR 649 H TYR 649 11.683 -7.684 -2.627 506 HA TYR 649 HA TYR 649 9.705 -6.418 -1.146 507 HB2 TYR 649 1HB TYR 649 11.980 -5.520 -1.880 508 HB3 TYR 649 2HB TYR 649 11.214 -5.105 -3.407 509 HD1 TYR 649 HD2 TYR 649 9.288 -4.756 -0.303 510 HD2 TYR 649 HD1 TYR 649 11.821 -2.779 -3.091 511 HE1 TYR 649 HE2 TYR 649 8.621 -2.585 0.635 512 HE2 TYR 649 HE1 TYR 649 11.173 -0.605 -2.148 513 HH TYR 649 HH TYR 649 9.510 -0.294 0.789 514 H TYR 650 H TYR 650 9.930 -6.705 -4.718 515 HA TYR 650 HA TYR 650 7.570 -5.319 -5.270 516 HB2 TYR 650 1HB TYR 650 9.323 -7.227 -6.772 517 HB3 TYR 650 2HB TYR 650 7.841 -6.618 -7.471 518 HD1 TYR 650 HD1 TYR 650 11.144 -5.617 -6.168 519 HD2 TYR 650 HD2 TYR 650 7.700 -4.421 -8.359 520 HE1 TYR 650 HE1 TYR 650 12.319 -3.582 -6.894 521 HE2 TYR 650 HE2 TYR 650 8.864 -2.384 -9.090 522 HH TYR 650 HH TYR 650 10.693 -0.984 -8.468 523 H HIS 651 H HIS 651 8.231 -8.710 -4.565 524 HA HIS 651 HA HIS 651 5.785 -9.741 -5.612 525 HB2 HIS 651 1HB HIS 651 7.543 -11.306 -5.417 526 HB3 HIS 651 2HB HIS 651 7.891 -10.833 -3.762 527 HD1 HIS 651 HD1 HIS 651 5.045 -12.515 -5.666 528 HD2 HIS 651 HD2 HIS 651 6.869 -12.525 -1.931 529 HE1 HIS 651 HE1 HIS 651 3.900 -14.330 -4.357 530 HE2 HIS 651 HE2 HIS 651 5.103 -14.402 -2.147 531 H LEU 652 H LEU 652 6.882 -8.731 -2.422 532 HA LEU 652 HA LEU 652 4.689 -9.639 -0.931 533 HB2 LEU 652 1HB LEU 652 6.439 -7.236 -0.425 534 HB3 LEU 652 2HB LEU 652 5.433 -8.043 0.763 535 HG LEU 652 HG LEU 652 7.749 -9.354 -0.652 536 HD11 LEU 652 1HD1 LEU 652 8.493 -7.487 0.747 537 HD12 LEU 652 2HD1 LEU 652 8.985 -9.045 1.406 538 HD13 LEU 652 3HD1 LEU 652 7.624 -8.178 2.116 539 HD21 LEU 652 3HD2 LEU 652 6.114 -10.178 1.742 540 HD22 LEU 652 1HD2 LEU 652 7.532 -11.025 1.127 541 HD23 LEU 652 2HD2 LEU 652 6.072 -10.922 0.144 542 H LEU 653 H LEU 653 5.351 -6.423 -2.279 543 HA LEU 653 HA LEU 653 2.939 -5.236 -1.482 544 HB2 LEU 653 1HB LEU 653 4.874 -4.601 -3.699 545 HB3 LEU 653 2HB LEU 653 3.456 -3.617 -3.385 546 HG LEU 653 HG LEU 653 5.293 -4.153 -1.103 547 HD11 LEU 653 1HD1 LEU 653 6.895 -3.595 -2.776 548 HD12 LEU 653 2HD1 LEU 653 6.632 -2.159 -1.787 549 HD13 LEU 653 3HD1 LEU 653 5.887 -2.283 -3.380 550 HD21 LEU 653 3HD2 LEU 653 4.622 -1.924 -0.460 551 HD22 LEU 653 1HD2 LEU 653 3.191 -2.878 -0.844 552 HD23 LEU 653 2HD2 LEU 653 3.799 -1.691 -2.001 553 H ALA 654 H ALA 654 3.841 -6.840 -4.524 554 HA ALA 654 HA ALA 654 1.514 -6.364 -5.970 555 HB1 ALA 654 3HB ALA 654 2.152 -8.280 -7.329 556 HB2 ALA 654 1HB ALA 654 3.281 -8.803 -6.081 557 HB3 ALA 654 2HB ALA 654 3.557 -7.289 -6.941 558 H GLU 655 H GLU 655 2.285 -9.107 -3.851 559 HA GLU 655 HA GLU 655 -0.100 -10.540 -4.254 560 HB2 GLU 655 1HB GLU 655 1.542 -11.808 -3.163 561 HB3 GLU 655 2HB GLU 655 1.884 -10.527 -1.996 562 HG2 GLU 655 1HG GLU 655 -0.280 -10.951 -0.928 563 HG3 GLU 655 2HG GLU 655 -0.602 -12.226 -2.100 564 H LYS 656 H LYS 656 0.711 -8.098 -1.824 565 HA LYS 656 HA LYS 656 -1.706 -8.337 -0.383 566 HB2 LYS 656 1HB LYS 656 0.150 -5.959 -0.507 567 HB3 LYS 656 2HB LYS 656 -1.069 -6.265 0.722 568 HG2 LYS 656 1HG LYS 656 1.445 -7.832 0.212 569 HG3 LYS 656 2HG LYS 656 1.044 -6.860 1.627 570 HD2 LYS 656 1HD LYS 656 -0.640 -8.404 2.308 571 HD3 LYS 656 2HD LYS 656 -0.526 -9.288 0.787 572 HE2 LYS 656 1HE LYS 656 0.609 -10.528 2.508 573 HE3 LYS 656 2HE LYS 656 1.793 -9.912 1.360 574 HZ1 LYS 656 3HZ LYS 656 2.535 -9.639 3.640 575 HZ2 LYS 656 1HZ LYS 656 1.166 -8.718 4.008 576 HZ3 LYS 656 2HZ LYS 656 2.311 -8.134 2.915 577 H ILE 657 H ILE 657 -0.731 -6.250 -3.066 578 HA ILE 657 HA ILE 657 -3.028 -4.631 -3.120 579 HB ILE 657 HB ILE 657 -1.269 -5.529 -5.428 580 HG12 ILE 657 1HG1 ILE 657 -1.297 -2.951 -3.831 581 HG13 ILE 657 2HG1 ILE 657 -0.120 -4.246 -3.639 582 HG21 ILE 657 1HG2 ILE 657 -2.201 -3.629 -6.658 583 HG22 ILE 657 2HG2 ILE 657 -3.299 -3.293 -5.319 584 HG23 ILE 657 3HG2 ILE 657 -3.455 -4.794 -6.232 585 HD11 ILE 657 3HD1 ILE 657 0.787 -2.429 -4.955 586 HD12 ILE 657 1HD1 ILE 657 -0.536 -2.585 -6.112 587 HD13 ILE 657 2HD1 ILE 657 0.638 -3.888 -5.932 588 H TYR 658 H TYR 658 -2.344 -7.781 -4.656 589 HA TYR 658 HA TYR 658 -4.864 -7.994 -5.926 590 HB2 TYR 658 1HB TYR 658 -2.792 -9.457 -6.384 591 HB3 TYR 658 2HB TYR 658 -3.310 -10.410 -4.992 592 HD1 TYR 658 HD2 TYR 658 -5.227 -8.832 -7.800 593 HD2 TYR 658 HD1 TYR 658 -4.194 -12.445 -5.777 594 HE1 TYR 658 HE2 TYR 658 -6.791 -10.080 -9.218 595 HE2 TYR 658 HE1 TYR 658 -5.764 -13.684 -7.194 596 HH TYR 658 HH TYR 658 -7.198 -12.323 -9.990 597 H LYS 659 H LYS 659 -3.735 -8.883 -2.689 598 HA LYS 659 HA LYS 659 -5.993 -10.301 -1.842 599 HB2 LYS 659 1HB LYS 659 -4.022 -8.564 -0.360 600 HB3 LYS 659 2HB LYS 659 -5.349 -9.362 0.471 601 HG2 LYS 659 1HG LYS 659 -3.272 -10.802 -1.160 602 HG3 LYS 659 2HG LYS 659 -3.185 -10.570 0.588 603 HD2 LYS 659 1HD LYS 659 -5.372 -11.734 0.793 604 HD3 LYS 659 2HD LYS 659 -5.319 -12.059 -0.938 605 HE2 LYS 659 1HE LYS 659 -4.555 -13.985 0.331 606 HE3 LYS 659 2HE LYS 659 -3.250 -13.315 -0.642 607 HZ1 LYS 659 3HZ LYS 659 -2.405 -13.837 1.509 608 HZ2 LYS 659 1HZ LYS 659 -3.647 -12.984 2.278 609 HZ3 LYS 659 2HZ LYS 659 -2.474 -12.153 1.389 610 H ILE 660 H ILE 660 -5.262 -6.844 -1.685 611 HA ILE 660 HA ILE 660 -7.706 -6.051 -0.533 612 HB ILE 660 HB ILE 660 -5.365 -4.727 -1.620 613 HG12 ILE 660 1HG1 ILE 660 -7.446 -3.913 0.404 614 HG13 ILE 660 2HG1 ILE 660 -5.993 -4.847 0.738 615 HG21 ILE 660 1HG2 ILE 660 -6.529 -2.525 -2.015 616 HG22 ILE 660 2HG2 ILE 660 -8.040 -3.426 -2.132 617 HG23 ILE 660 3HG2 ILE 660 -6.745 -3.719 -3.290 618 HD11 ILE 660 3HD1 ILE 660 -4.614 -2.964 0.091 619 HD12 ILE 660 1HD1 ILE 660 -5.746 -2.507 1.364 620 HD13 ILE 660 2HD1 ILE 660 -6.056 -2.032 -0.305 621 H GLN 661 H GLN 661 -6.750 -6.513 -3.908 622 HA GLN 661 HA GLN 661 -9.090 -5.307 -5.012 623 HB2 GLN 661 1HB GLN 661 -7.191 -7.346 -6.211 624 HB3 GLN 661 2HB GLN 661 -8.532 -6.628 -7.082 625 HG2 GLN 661 1HG GLN 661 -7.530 -4.394 -6.772 626 HG3 GLN 661 2HG GLN 661 -6.174 -5.138 -5.929 627 HE21 GLN 661 1HE2 GLN 661 -6.282 -3.580 -8.413 628 HE22 GLN 661 2HE2 GLN 661 -5.539 -4.580 -9.615 629 H LYS 662 H LYS 662 -8.212 -8.536 -3.996 630 HA LYS 662 HA LYS 662 -10.500 -9.857 -4.986 631 HB2 LYS 662 1HB LYS 662 -8.207 -10.789 -4.096 632 HB3 LYS 662 2HB LYS 662 -9.048 -10.814 -2.553 633 HG2 LYS 662 1HG LYS 662 -9.273 -12.970 -3.496 634 HG3 LYS 662 2HG LYS 662 -10.839 -12.173 -3.665 635 HD2 LYS 662 1HD LYS 662 -10.314 -11.626 -5.989 636 HD3 LYS 662 2HD LYS 662 -8.739 -12.402 -5.821 637 HE2 LYS 662 1HE LYS 662 -10.180 -13.949 -6.910 638 HE3 LYS 662 2HE LYS 662 -9.944 -14.521 -5.262 639 HZ1 LYS 662 3HZ LYS 662 -12.249 -14.698 -5.914 640 HZ2 LYS 662 1HZ LYS 662 -12.318 -13.042 -6.273 641 HZ3 LYS 662 2HZ LYS 662 -12.094 -13.562 -4.673 642 H GLU 663 H GLU 663 -9.701 -8.323 -1.908 643 HA GLU 663 HA GLU 663 -11.946 -9.019 -0.411 644 HB2 GLU 663 1HB GLU 663 -10.246 -6.529 -0.417 645 HB3 GLU 663 2HB GLU 663 -11.544 -6.778 0.740 646 HG2 GLU 663 1HG GLU 663 -9.181 -8.603 0.390 647 HG3 GLU 663 2HG GLU 663 -9.318 -7.349 1.620 648 H LEU 664 H LEU 664 -11.446 -6.205 -2.514 649 HA LEU 664 HA LEU 664 -13.982 -5.046 -2.194 650 HB2 LEU 664 1HB LEU 664 -12.190 -4.966 -4.626 651 HB3 LEU 664 2HB LEU 664 -13.494 -3.849 -4.275 652 HG LEU 664 HG LEU 664 -10.981 -4.155 -2.627 653 HD11 LEU 664 1HD1 LEU 664 -10.388 -1.957 -3.530 654 HD12 LEU 664 2HD1 LEU 664 -11.812 -2.004 -4.569 655 HD13 LEU 664 3HD1 LEU 664 -10.514 -3.174 -4.799 656 HD21 LEU 664 3HD2 LEU 664 -12.882 -3.458 -1.284 657 HD22 LEU 664 1HD2 LEU 664 -13.251 -2.182 -2.443 658 HD23 LEU 664 2HD2 LEU 664 -11.759 -2.117 -1.510 659 H GLU 665 H GLU 665 -12.752 -7.404 -4.480 660 HA GLU 665 HA GLU 665 -15.039 -7.632 -6.108 661 HB2 GLU 665 1HB GLU 665 -12.797 -8.405 -6.744 662 HB3 GLU 665 2HB GLU 665 -12.851 -9.624 -5.482 663 HG2 GLU 665 1HG GLU 665 -14.721 -10.711 -6.632 664 HG3 GLU 665 2HG GLU 665 -14.618 -9.501 -7.912 665 H GLU 666 H GLU 666 -13.890 -9.567 -3.373 666 HA GLU 666 HA GLU 666 -15.883 -11.508 -3.365 667 HB2 GLU 666 1HB GLU 666 -13.741 -11.636 -2.139 668 HB3 GLU 666 2HB GLU 666 -14.324 -10.417 -1.016 669 HG2 GLU 666 1HG GLU 666 -14.504 -12.601 -0.030 670 HG3 GLU 666 2HG GLU 666 -16.112 -11.939 -0.314 671 H LYS 667 H LYS 667 -15.720 -8.478 -1.477 672 HA LYS 667 HA LYS 667 -18.083 -9.022 -0.038 673 HB2 LYS 667 1HB LYS 667 -18.016 -6.684 0.687 674 HB3 LYS 667 2HB LYS 667 -16.462 -7.480 0.853 675 HG2 LYS 667 1HG LYS 667 -15.649 -6.354 -1.145 676 HG3 LYS 667 2HG LYS 667 -17.227 -5.594 -1.362 677 HD2 LYS 667 1HD LYS 667 -15.546 -4.107 -0.281 678 HD3 LYS 667 2HD LYS 667 -16.995 -4.365 0.690 679 HE2 LYS 667 1HE LYS 667 -15.814 -6.028 2.032 680 HE3 LYS 667 2HE LYS 667 -14.372 -5.819 1.038 681 HZ1 LYS 667 3HZ LYS 667 -15.628 -3.765 2.792 682 HZ2 LYS 667 1HZ LYS 667 -14.291 -3.498 1.784 683 HZ3 LYS 667 2HZ LYS 667 -14.170 -4.584 3.072 684 H ARG 668 H ARG 668 -17.567 -7.199 -3.052 685 HA ARG 668 HA ARG 668 -20.275 -6.350 -3.064 686 HB2 ARG 668 1HB ARG 668 -18.239 -6.133 -5.259 687 HB3 ARG 668 2HB ARG 668 -19.790 -5.307 -5.217 688 HG2 ARG 668 1HG ARG 668 -17.441 -4.864 -3.393 689 HG3 ARG 668 2HG ARG 668 -18.084 -3.757 -4.604 690 HD2 ARG 668 1HD ARG 668 -19.530 -4.681 -2.120 691 HD3 ARG 668 2HD ARG 668 -18.743 -3.119 -2.328 692 HE ARG 668 HE ARG 668 -20.827 -3.801 -4.251 693 HH11 ARG 668 1HH1 ARG 668 -19.986 -2.115 -1.292 694 HH12 ARG 668 2HH1 ARG 668 -21.327 -1.019 -1.395 695 HH21 ARG 668 1HH2 ARG 668 -22.575 -2.379 -4.382 696 HH22 ARG 668 2HH2 ARG 668 -22.798 -1.156 -3.165 697 H ARG 669 H ARG 669 -18.513 -8.927 -4.224 698 HA ARG 669 HA ARG 669 -20.273 -9.951 -6.179 699 HB2 ARG 669 1HB ARG 669 -17.970 -10.782 -5.868 700 HB3 ARG 669 2HB ARG 669 -18.428 -11.435 -4.301 701 HG2 ARG 669 1HG ARG 669 -18.352 -13.225 -5.871 702 HG3 ARG 669 2HG ARG 669 -20.040 -12.931 -5.457 703 HD2 ARG 669 1HD ARG 669 -18.713 -11.787 -7.906 704 HD3 ARG 669 2HD ARG 669 -19.551 -13.336 -7.899 705 HE ARG 669 HE ARG 669 -21.337 -11.491 -6.873 706 HH11 ARG 669 1HH1 ARG 669 -19.598 -11.985 -9.866 707 HH12 ARG 669 2HH1 ARG 669 -20.813 -11.234 -10.849 708 HH21 ARG 669 1HH2 ARG 669 -22.940 -10.489 -8.158 709 HH22 ARG 669 2HH2 ARG 669 -22.719 -10.379 -9.876 710 H SER 670 H SER 670 -20.253 -9.971 -2.724 711 HA SER 670 HA SER 670 -22.474 -11.838 -2.570 712 HB2 SER 670 1HB SER 670 -20.634 -11.947 -0.907 713 HB3 SER 670 2HB SER 670 -21.072 -10.334 -0.349 714 HG SER 670 HG SER 670 -23.300 -11.600 -0.238 715 H ARG 671 H ARG 671 -22.236 -8.598 -3.254 716 HA ARG 671 HA ARG 671 -24.913 -8.024 -2.771 717 HB2 ARG 671 1HB ARG 671 -24.076 -8.077 -0.382 718 HB3 ARG 671 2HB ARG 671 -23.137 -6.641 -0.766 719 HG2 ARG 671 1HG ARG 671 -25.199 -6.026 0.337 720 HG3 ARG 671 2HG ARG 671 -25.209 -5.451 -1.334 721 HD2 ARG 671 1HD ARG 671 -26.547 -7.396 -1.984 722 HD3 ARG 671 2HD ARG 671 -26.550 -7.951 -0.314 723 HE ARG 671 HE ARG 671 -27.599 -5.441 -0.184 724 HH11 ARG 671 1HH1 ARG 671 -28.336 -8.323 -2.020 725 HH12 ARG 671 2HH1 ARG 671 -30.038 -7.993 -2.102 726 HH21 ARG 671 1HH2 ARG 671 -29.840 -4.992 -0.299 727 HH22 ARG 671 2HH2 ARG 671 -30.892 -6.098 -1.124 728 H LEU 672 H LEU 672 -24.575 -7.234 -4.913 729 HA LEU 672 HA LEU 672 -24.828 -5.413 -6.268 730 HB2 LEU 672 1HB LEU 672 -24.195 -3.970 -3.713 731 HB3 LEU 672 2HB LEU 672 -24.566 -3.123 -5.204 732 HG LEU 672 HG LEU 672 -26.419 -5.003 -3.728 733 HD11 LEU 672 1HD1 LEU 672 -27.695 -2.989 -3.209 734 HD12 LEU 672 2HD1 LEU 672 -26.465 -2.001 -3.996 735 HD13 LEU 672 3HD1 LEU 672 -26.068 -2.904 -2.535 736 HD21 LEU 672 3HD2 LEU 672 -26.829 -3.326 -6.200 737 HD22 LEU 672 1HD2 LEU 672 -28.117 -4.134 -5.307 738 HD23 LEU 672 2HD2 LEU 672 -26.860 -5.085 -6.093 739 H1 ASP 840 1H ASP 840 -1.121 -11.637 13.500 740 HA ASP 840 HA ASP 840 -2.037 -10.033 11.256 741 HB2 ASP 840 1HB ASP 840 -1.064 -9.180 14.003 742 HB3 ASP 840 2HB ASP 840 -1.572 -8.057 12.736 743 H ALA 841 H ALA 841 -0.203 -11.117 10.060 744 HA ALA 841 HA ALA 841 2.296 -9.616 10.340 745 HB1 ALA 841 3HB ALA 841 3.152 -11.122 8.604 746 HB2 ALA 841 1HB ALA 841 1.560 -11.864 8.462 747 HB3 ALA 841 2HB ALA 841 2.477 -12.023 9.961 748 H GLY 842 H GLY 842 -0.647 -9.300 8.945 749 HA2 GLY 842 1HA GLY 842 -1.427 -7.681 7.524 750 HA3 GLY 842 2HA GLY 842 0.228 -7.256 7.088 751 H ASN 843 H ASN 843 -1.561 -10.222 7.044 752 HA ASN 843 HA ASN 843 -0.658 -10.950 4.415 753 HB2 ASN 843 1HB ASN 843 -2.785 -12.217 6.161 754 HB3 ASN 843 2HB ASN 843 -2.139 -12.918 4.683 755 HD21 ASN 843 1HD2 ASN 843 0.601 -11.979 5.312 756 HD22 ASN 843 2HD2 ASN 843 1.174 -13.050 6.539 757 H ILE 844 H ILE 844 -3.629 -9.737 5.829 758 HA ILE 844 HA ILE 844 -4.524 -8.914 3.165 759 HB ILE 844 HB ILE 844 -6.405 -10.041 5.268 760 HG12 ILE 844 1HG1 ILE 844 -5.417 -11.296 2.692 761 HG13 ILE 844 2HG1 ILE 844 -5.060 -11.851 4.323 762 HG21 ILE 844 1HG2 ILE 844 -7.417 -8.336 3.865 763 HG22 ILE 844 2HG2 ILE 844 -8.077 -9.926 3.472 764 HG23 ILE 844 3HG2 ILE 844 -6.875 -9.183 2.417 765 HD11 ILE 844 3HD1 ILE 844 -7.781 -11.813 3.044 766 HD12 ILE 844 1HD1 ILE 844 -7.396 -12.414 4.657 767 HD13 ILE 844 2HD1 ILE 844 -6.746 -13.227 3.233 768 H LEU 845 H LEU 845 -5.446 -6.842 3.162 769 HA LEU 845 HA LEU 845 -4.736 -5.299 5.489 770 HB2 LEU 845 1HB LEU 845 -5.786 -4.468 2.785 771 HB3 LEU 845 2HB LEU 845 -5.367 -3.341 4.059 772 HG LEU 845 HG LEU 845 -3.044 -4.640 3.938 773 HD11 LEU 845 1HD1 LEU 845 -4.105 -4.882 1.122 774 HD12 LEU 845 2HD1 LEU 845 -3.771 -6.220 2.225 775 HD13 LEU 845 3HD1 LEU 845 -2.454 -5.202 1.654 776 HD21 LEU 845 3HD2 LEU 845 -3.841 -2.505 1.968 777 HD22 LEU 845 1HD2 LEU 845 -2.208 -2.873 2.510 778 HD23 LEU 845 2HD2 LEU 845 -3.389 -2.227 3.646 779 HA PRO 846 HA PRO 846 -8.372 -4.823 7.815 780 HB2 PRO 846 1HB PRO 846 -8.062 -1.912 7.186 781 HB3 PRO 846 2HB PRO 846 -8.396 -2.696 8.735 782 HG2 PRO 846 1HG PRO 846 -5.942 -1.873 8.163 783 HG3 PRO 846 2HG PRO 846 -6.204 -3.420 8.991 784 HD2 PRO 846 1HD PRO 846 -5.396 -2.890 6.184 785 HD3 PRO 846 2HD PRO 846 -5.015 -4.270 7.231 786 H SER 847 H SER 847 -10.382 -5.144 7.371 787 HA SER 847 HA SER 847 -11.566 -4.823 4.865 788 HB2 SER 847 1HB SER 847 -12.903 -5.195 7.552 789 HB3 SER 847 2HB SER 847 -13.630 -5.522 5.979 790 HG SER 847 HG SER 847 -11.200 -6.767 6.460 791 H ASP 848 H ASP 848 -11.663 -2.817 7.757 792 HA ASP 848 HA ASP 848 -13.884 -1.254 7.088 793 HB2 ASP 848 1HB ASP 848 -13.089 0.250 8.854 794 HB3 ASP 848 2HB ASP 848 -13.067 -1.427 9.363 795 H ILE 849 H ILE 849 -10.411 -0.724 6.440 796 HA ILE 849 HA ILE 849 -10.712 1.889 5.403 797 HB ILE 849 HB ILE 849 -8.609 -0.122 4.536 798 HG12 ILE 849 1HG1 ILE 849 -8.680 0.141 7.007 799 HG13 ILE 849 2HG1 ILE 849 -7.195 0.775 6.308 800 HG21 ILE 849 1HG2 ILE 849 -8.648 2.900 4.489 801 HG22 ILE 849 2HG2 ILE 849 -8.739 1.830 3.090 802 HG23 ILE 849 3HG2 ILE 849 -7.265 1.893 4.060 803 HD11 ILE 849 3HD1 ILE 849 -9.568 2.417 7.184 804 HD12 ILE 849 1HD1 ILE 849 -8.061 3.045 6.518 805 HD13 ILE 849 2HD1 ILE 849 -8.058 2.216 8.073 806 H MET 850 H MET 850 -10.707 -1.292 3.854 807 HA MET 850 HA MET 850 -11.209 -0.524 1.246 808 HB2 MET 850 1HB MET 850 -12.395 -2.986 2.544 809 HB3 MET 850 2HB MET 850 -11.924 -2.798 0.863 810 HG2 MET 850 1HG MET 850 -10.210 -3.212 3.277 811 HG3 MET 850 2HG MET 850 -10.247 -4.115 1.765 812 HE1 MET 850 3HE MET 850 -10.361 -1.432 -0.168 813 HE2 MET 850 1HE MET 850 -9.508 -2.915 -0.587 814 HE3 MET 850 2HE MET 850 -8.667 -1.366 -0.647 815 H ASP 851 H ASP 851 -13.437 -1.017 3.928 816 HA ASP 851 HA ASP 851 -15.820 -0.729 2.448 817 HB2 ASP 851 1HB ASP 851 -15.187 -0.269 5.381 818 HB3 ASP 851 2HB ASP 851 -16.810 -0.049 4.719 819 H PHE 852 H PHE 852 -13.675 1.660 3.923 820 HA PHE 852 HA PHE 852 -15.367 3.860 3.928 821 HB2 PHE 852 1HB PHE 852 -13.057 3.703 4.949 822 HB3 PHE 852 2HB PHE 852 -12.406 4.000 3.342 823 HD1 PHE 852 HD1 PHE 852 -15.078 5.486 5.492 824 HD2 PHE 852 HD2 PHE 852 -11.679 6.174 3.020 825 HE1 PHE 852 HE1 PHE 852 -15.280 7.905 5.884 826 HE2 PHE 852 HE2 PHE 852 -11.882 8.587 3.404 827 HZ PHE 852 HZ PHE 852 -13.684 9.459 4.839 828 H VAL 853 H VAL 853 -13.268 2.706 1.267 829 HA VAL 853 HA VAL 853 -13.929 4.830 -0.478 830 HB VAL 853 HB VAL 853 -11.968 3.587 -1.028 831 HG11 VAL 853 1HG1 VAL 853 -13.734 1.165 -1.340 832 HG12 VAL 853 2HG1 VAL 853 -12.530 1.423 -0.080 833 HG13 VAL 853 3HG1 VAL 853 -12.025 1.241 -1.760 834 HG21 VAL 853 3HG2 VAL 853 -12.419 2.961 -3.385 835 HG22 VAL 853 1HG2 VAL 853 -13.122 4.515 -2.933 836 HG23 VAL 853 2HG2 VAL 853 -14.144 3.084 -3.054 837 H LEU 854 H LEU 854 -15.375 1.622 -0.034 838 HA LEU 854 HA LEU 854 -17.220 1.834 -2.157 839 HB2 LEU 854 1HB LEU 854 -17.047 0.111 0.274 840 HB3 LEU 854 2HB LEU 854 -18.552 0.152 -0.615 841 HG LEU 854 HG LEU 854 -17.121 -1.770 -1.213 842 HD11 LEU 854 1HD1 LEU 854 -18.731 -0.748 -2.849 843 HD12 LEU 854 2HD1 LEU 854 -17.411 -1.676 -3.555 844 HD13 LEU 854 3HD1 LEU 854 -17.353 0.082 -3.577 845 HD21 LEU 854 3HD2 LEU 854 -14.947 -0.727 -0.908 846 HD22 LEU 854 1HD2 LEU 854 -15.241 0.306 -2.309 847 HD23 LEU 854 2HD2 LEU 854 -15.099 -1.440 -2.515 848 H LYS 855 H LYS 855 -17.371 2.839 1.215 849 HA LYS 855 HA LYS 855 -20.138 3.506 1.203 850 HB2 LYS 855 1HB LYS 855 -18.847 3.188 3.290 851 HB3 LYS 855 2HB LYS 855 -17.939 4.651 2.939 852 HG2 LYS 855 1HG LYS 855 -19.695 5.052 4.614 853 HG3 LYS 855 2HG LYS 855 -19.966 5.984 3.138 854 HD2 LYS 855 1HD LYS 855 -21.679 4.494 2.417 855 HD3 LYS 855 2HD LYS 855 -21.282 3.331 3.682 856 HE2 LYS 855 1HE LYS 855 -22.391 6.104 4.101 857 HE3 LYS 855 2HE LYS 855 -23.295 4.596 4.242 858 HZ1 LYS 855 3HZ LYS 855 -21.743 3.950 6.038 859 HZ2 LYS 855 1HZ LYS 855 -22.655 5.324 6.409 860 HZ3 LYS 855 2HZ LYS 855 -21.039 5.485 5.954 861 H ASN 856 H ASN 856 -17.348 5.075 -0.064 862 HA ASN 856 HA ASN 856 -18.756 7.628 -0.343 863 HB2 ASN 856 1HB ASN 856 -16.396 7.728 0.313 864 HB3 ASN 856 2HB ASN 856 -15.940 6.827 -1.130 865 HD21 ASN 856 1HD2 ASN 856 -15.847 7.869 -3.091 866 HD22 ASN 856 2HD2 ASN 856 -15.986 9.584 -3.253 867 H THR 857 H THR 857 -19.629 8.317 -2.204 868 HA THR 857 HA THR 857 -19.830 6.445 -4.395 869 HB THR 857 HB THR 857 -21.010 9.219 -4.193 870 HG1 THR 857 HG1 THR 857 -21.595 6.920 -2.830 871 HG21 THR 857 1HG2 THR 857 -21.051 8.234 -6.438 872 HG22 THR 857 2HG2 THR 857 -22.675 8.338 -5.761 873 HG23 THR 857 3HG2 THR 857 -21.832 6.790 -5.794 874 HA PRO 858 HA PRO 858 -16.338 8.556 -6.384 875 HB2 PRO 858 1HB PRO 858 -16.633 6.455 -8.404 876 HB3 PRO 858 2HB PRO 858 -15.259 6.811 -7.357 877 HG2 PRO 858 1HG PRO 858 -16.783 4.611 -7.032 878 HG3 PRO 858 2HG PRO 858 -16.020 5.449 -5.667 879 HD2 PRO 858 1HD PRO 858 -18.857 5.572 -6.622 880 HD3 PRO 858 2HD PRO 858 -18.230 5.492 -4.964 Start of MODEL 6 1 H1 GLY 586 1H GLY 586 31.724 3.429 -0.774 2 HA2 GLY 586 1HA GLY 586 30.372 1.533 -0.207 3 HA3 GLY 586 2HA GLY 586 31.755 0.847 0.639 4 H VAL 587 H VAL 587 28.938 1.537 1.478 5 HA VAL 587 HA VAL 587 29.617 3.320 3.717 6 HB VAL 587 HB VAL 587 27.226 4.034 3.701 7 HG11 VAL 587 1HG1 VAL 587 28.921 5.441 2.686 8 HG12 VAL 587 2HG1 VAL 587 27.422 5.529 1.762 9 HG13 VAL 587 3HG1 VAL 587 28.770 4.559 1.167 10 HG21 VAL 587 3HG2 VAL 587 25.889 3.636 1.679 11 HG22 VAL 587 1HG2 VAL 587 26.254 2.139 2.536 12 HG23 VAL 587 2HG2 VAL 587 27.147 2.558 1.075 13 H ARG 588 H ARG 588 28.444 2.917 5.712 14 HA ARG 588 HA ARG 588 28.169 0.079 6.195 15 HB2 ARG 588 1HB ARG 588 28.057 0.653 8.542 16 HB3 ARG 588 2HB ARG 588 29.337 1.603 7.805 17 HG2 ARG 588 1HG ARG 588 28.330 3.180 9.125 18 HG3 ARG 588 2HG ARG 588 27.463 3.425 7.608 19 HD2 ARG 588 1HD ARG 588 25.664 1.935 8.464 20 HD3 ARG 588 2HD ARG 588 26.520 1.846 10.002 21 HE ARG 588 HE ARG 588 25.923 4.527 9.116 22 HH11 ARG 588 1HH1 ARG 588 24.774 1.759 10.918 23 HH12 ARG 588 2HH1 ARG 588 23.691 2.683 11.905 24 HH21 ARG 588 1HH2 ARG 588 24.481 5.758 10.409 25 HH22 ARG 588 2HH2 ARG 588 23.534 4.959 11.623 26 H LYS 589 H LYS 589 26.158 2.641 5.369 27 HA LYS 589 HA LYS 589 23.777 1.063 6.087 28 HB2 LYS 589 1HB LYS 589 23.720 3.030 7.397 29 HB3 LYS 589 2HB LYS 589 24.217 4.049 6.053 30 HG2 LYS 589 1HG LYS 589 21.976 3.488 5.001 31 HG3 LYS 589 2HG LYS 589 21.536 2.776 6.557 32 HD2 LYS 589 1HD LYS 589 22.019 4.927 7.655 33 HD3 LYS 589 2HD LYS 589 22.405 5.629 6.085 34 HE2 LYS 589 1HE LYS 589 20.195 6.292 6.562 35 HE3 LYS 589 2HE LYS 589 20.065 4.999 5.373 36 HZ1 LYS 589 3HZ LYS 589 18.450 4.734 7.140 37 HZ2 LYS 589 1HZ LYS 589 19.677 4.704 8.300 38 HZ3 LYS 589 2HZ LYS 589 19.557 3.459 7.170 39 H GLY 590 H GLY 590 24.587 0.089 4.085 40 HA2 GLY 590 1HA GLY 590 23.202 1.254 1.814 41 HA3 GLY 590 2HA GLY 590 24.880 0.793 1.609 42 H TRP 591 H TRP 591 22.137 -0.759 3.247 43 HA TRP 591 HA TRP 591 22.804 -3.297 1.968 44 HB2 TRP 591 1HB TRP 591 20.336 -3.399 3.433 45 HB3 TRP 591 2HB TRP 591 21.847 -4.220 3.797 46 HD1 TRP 591 HD1 TRP 591 23.152 -3.365 5.903 47 HE1 TRP 591 HE1 TRP 591 22.733 -1.491 7.637 48 HE3 TRP 591 HE3 TRP 591 19.351 -0.901 3.548 49 HZ2 TRP 591 HZ2 TRP 591 21.036 0.745 7.933 50 HZ3 TRP 591 HZ3 TRP 591 18.389 1.089 4.614 51 HH2 TRP 591 HH2 TRP 591 19.213 1.892 6.761 52 H HIS 592 H HIS 592 20.291 -0.843 2.066 53 HA HIS 592 HA HIS 592 18.699 -2.273 0.076 54 HB2 HIS 592 1HB HIS 592 18.093 -0.037 1.985 55 HB3 HIS 592 2HB HIS 592 17.062 -0.324 0.587 56 HD1 HIS 592 HD1 HIS 592 17.535 -1.346 4.037 57 HD2 HIS 592 HD2 HIS 592 15.923 -3.036 0.595 58 HE1 HIS 592 HE1 HIS 592 16.122 -3.256 4.825 59 HE2 HIS 592 HE2 HIS 592 15.018 -4.146 2.754 60 H GLU 593 H GLU 593 21.253 -0.389 -0.123 61 HA GLU 593 HA GLU 593 20.531 1.971 -1.346 62 HB2 GLU 593 1HB GLU 593 22.853 2.017 -2.232 63 HB3 GLU 593 2HB GLU 593 22.727 1.693 -0.515 64 HG2 GLU 593 1HG GLU 593 24.453 0.331 -1.393 65 HG3 GLU 593 2HG GLU 593 23.103 -0.714 -0.991 66 H HIS 594 H HIS 594 20.834 -1.218 -2.833 67 HA HIS 594 HA HIS 594 20.525 -0.203 -5.481 68 HB2 HIS 594 1HB HIS 594 20.238 -2.553 -6.160 69 HB3 HIS 594 2HB HIS 594 21.654 -2.324 -5.133 70 HD1 HIS 594 HD1 HIS 594 18.923 -4.534 -5.599 71 HD2 HIS 594 HD2 HIS 594 20.944 -3.068 -2.281 72 HE1 HIS 594 HE1 HIS 594 18.434 -6.156 -3.740 73 HE2 HIS 594 HE2 HIS 594 19.830 -5.350 -1.804 74 H VAL 595 H VAL 595 18.478 0.434 -3.369 75 HA VAL 595 HA VAL 595 16.240 0.178 -5.258 76 HB VAL 595 HB VAL 595 15.835 0.311 -2.271 77 HG11 VAL 595 1HG1 VAL 595 13.568 -0.206 -2.704 78 HG12 VAL 595 2HG1 VAL 595 13.913 -0.628 -4.376 79 HG13 VAL 595 3HG1 VAL 595 14.012 1.056 -3.860 80 HG21 VAL 595 3HG2 VAL 595 16.975 -1.793 -2.740 81 HG22 VAL 595 1HG2 VAL 595 15.760 -2.186 -3.956 82 HG23 VAL 595 2HG2 VAL 595 15.301 -2.067 -2.256 83 H THR 596 H THR 596 15.458 2.198 -5.783 84 HA THR 596 HA THR 596 16.570 4.459 -4.348 85 HB THR 596 HB THR 596 16.611 4.692 -6.724 86 HG1 THR 596 HG1 THR 596 16.171 6.670 -5.914 87 HG21 THR 596 1HG2 THR 596 13.630 4.260 -6.727 88 HG22 THR 596 2HG2 THR 596 14.835 3.107 -7.290 89 HG23 THR 596 3HG2 THR 596 14.624 4.642 -8.129 90 H GLN 597 H GLN 597 15.248 6.193 -3.510 91 HA GLN 597 HA GLN 597 13.173 5.260 -1.834 92 HB2 GLN 597 1HB GLN 597 14.636 7.214 -1.335 93 HB3 GLN 597 2HB GLN 597 13.818 8.115 -2.603 94 HG2 GLN 597 1HG GLN 597 12.959 8.739 -0.437 95 HG3 GLN 597 2HG GLN 597 11.711 7.926 -1.378 96 HE21 GLN 597 1HE2 GLN 597 10.958 5.928 -0.709 97 HE22 GLN 597 2HE2 GLN 597 11.328 5.263 0.838 98 H ASP 598 H ASP 598 13.250 6.968 -4.875 99 HA ASP 598 HA ASP 598 10.547 7.622 -5.154 100 HB2 ASP 598 1HB ASP 598 12.282 8.491 -6.658 101 HB3 ASP 598 2HB ASP 598 12.507 6.882 -7.336 102 H LEU 599 H LEU 599 12.265 4.635 -5.981 103 HA LEU 599 HA LEU 599 10.218 3.246 -7.228 104 HB2 LEU 599 1HB LEU 599 12.673 2.558 -6.871 105 HB3 LEU 599 2HB LEU 599 12.166 1.965 -5.298 106 HG LEU 599 HG LEU 599 10.597 0.417 -6.397 107 HD11 LEU 599 1HD1 LEU 599 11.762 1.595 -8.904 108 HD12 LEU 599 2HD1 LEU 599 10.078 1.627 -8.386 109 HD13 LEU 599 3HD1 LEU 599 10.826 0.102 -8.857 110 HD21 LEU 599 3HD2 LEU 599 12.295 -1.081 -7.380 111 HD22 LEU 599 1HD2 LEU 599 12.821 -0.376 -5.854 112 HD23 LEU 599 2HD2 LEU 599 13.447 0.255 -7.374 113 H ARG 600 H ARG 600 11.029 3.517 -3.825 114 HA ARG 600 HA ARG 600 9.062 1.750 -2.841 115 HB2 ARG 600 1HB ARG 600 10.396 4.052 -1.404 116 HB3 ARG 600 2HB ARG 600 9.600 2.672 -0.654 117 HG2 ARG 600 1HG ARG 600 11.281 1.176 -1.465 118 HG3 ARG 600 2HG ARG 600 12.023 2.449 -2.430 119 HD2 ARG 600 1HD ARG 600 12.286 3.677 -0.175 120 HD3 ARG 600 2HD ARG 600 12.023 2.085 0.536 121 HE ARG 600 HE ARG 600 13.979 1.776 -1.398 122 HH11 ARG 600 1HH1 ARG 600 13.557 3.530 1.587 123 HH12 ARG 600 2HH1 ARG 600 15.246 3.538 1.980 124 HH21 ARG 600 1HH2 ARG 600 16.227 1.805 -0.911 125 HH22 ARG 600 2HH2 ARG 600 16.766 2.553 0.556 126 H SER 601 H SER 601 9.144 5.306 -3.116 127 HA SER 601 HA SER 601 6.587 5.717 -1.986 128 HB2 SER 601 1HB SER 601 6.759 7.975 -3.159 129 HB3 SER 601 2HB SER 601 8.053 7.582 -2.027 130 HG SER 601 HG SER 601 8.110 7.764 -4.820 131 H HIS 602 H HIS 602 7.715 5.230 -5.295 132 HA HIS 602 HA HIS 602 5.356 5.669 -6.698 133 HB2 HIS 602 1HB HIS 602 7.739 5.047 -7.543 134 HB3 HIS 602 2HB HIS 602 7.193 3.383 -7.378 135 HD1 HIS 602 HD1 HIS 602 7.817 5.348 -10.006 136 HD2 HIS 602 HD2 HIS 602 4.235 3.653 -8.749 137 HE1 HIS 602 HE1 HIS 602 6.373 5.220 -12.058 138 HE2 HIS 602 HE2 HIS 602 4.279 4.049 -11.303 139 H LEU 603 H LEU 603 6.538 2.747 -5.109 140 HA LEU 603 HA LEU 603 4.340 1.086 -5.707 141 HB2 LEU 603 1HB LEU 603 6.280 0.944 -3.399 142 HB3 LEU 603 2HB LEU 603 5.202 -0.341 -3.906 143 HG LEU 603 HG LEU 603 7.251 0.803 -5.785 144 HD11 LEU 603 1HD1 LEU 603 8.452 0.052 -3.806 145 HD12 LEU 603 2HD1 LEU 603 8.739 -1.026 -5.172 146 HD13 LEU 603 3HD1 LEU 603 7.630 -1.506 -3.887 147 HD21 LEU 603 3HD2 LEU 603 5.478 -0.522 -6.780 148 HD22 LEU 603 1HD2 LEU 603 5.806 -1.839 -5.654 149 HD23 LEU 603 2HD2 LEU 603 7.012 -1.388 -6.859 150 H VAL 604 H VAL 604 4.973 3.336 -3.092 151 HA VAL 604 HA VAL 604 2.872 2.501 -1.372 152 HB VAL 604 HB VAL 604 4.361 5.124 -1.587 153 HG11 VAL 604 1HG1 VAL 604 2.096 5.496 -0.674 154 HG12 VAL 604 2HG1 VAL 604 3.366 5.787 0.514 155 HG13 VAL 604 3HG1 VAL 604 2.428 4.295 0.576 156 HG21 VAL 604 3HG2 VAL 604 5.680 3.217 -0.815 157 HG22 VAL 604 1HG2 VAL 604 4.483 2.893 0.440 158 HG23 VAL 604 2HG2 VAL 604 5.426 4.382 0.485 159 H HIS 605 H HIS 605 3.125 4.965 -3.905 160 HA HIS 605 HA HIS 605 0.553 6.076 -3.587 161 HB2 HIS 605 1HB HIS 605 2.148 5.855 -6.148 162 HB3 HIS 605 2HB HIS 605 0.782 6.930 -5.879 163 HD1 HIS 605 HD1 HIS 605 4.005 7.520 -6.434 164 HD2 HIS 605 HD2 HIS 605 1.744 8.211 -3.018 165 HE1 HIS 605 HE1 HIS 605 5.227 9.312 -5.168 166 HE2 HIS 605 HE2 HIS 605 3.930 9.585 -3.026 167 H LYS 606 H LYS 606 1.714 3.347 -5.497 168 HA LYS 606 HA LYS 606 -0.716 2.813 -6.818 169 HB2 LYS 606 1HB LYS 606 1.551 0.945 -6.121 170 HB3 LYS 606 2HB LYS 606 0.225 0.545 -7.205 171 HG2 LYS 606 1HG LYS 606 0.931 2.561 -8.576 172 HG3 LYS 606 2HG LYS 606 2.398 2.579 -7.597 173 HD2 LYS 606 1HD LYS 606 1.422 0.285 -9.298 174 HD3 LYS 606 2HD LYS 606 2.754 1.374 -9.686 175 HE2 LYS 606 1HE LYS 606 3.982 0.587 -7.739 176 HE3 LYS 606 2HE LYS 606 2.641 -0.471 -7.303 177 HZ1 LYS 606 3HZ LYS 606 2.959 -1.607 -9.449 178 HZ2 LYS 606 1HZ LYS 606 4.302 -1.738 -8.431 179 HZ3 LYS 606 2HZ LYS 606 4.332 -0.662 -9.734 180 H LEU 607 H LEU 607 0.588 1.703 -3.721 181 HA LEU 607 HA LEU 607 -1.498 -0.100 -3.113 182 HB2 LEU 607 1HB LEU 607 0.780 0.151 -1.979 183 HB3 LEU 607 2HB LEU 607 0.076 1.486 -1.090 184 HG LEU 607 HG LEU 607 -1.181 -1.245 -1.011 185 HD11 LEU 607 1HD1 LEU 607 1.018 -0.211 0.772 186 HD12 LEU 607 2HD1 LEU 607 1.162 -1.526 -0.396 187 HD13 LEU 607 3HD1 LEU 607 0.108 -1.703 1.006 188 HD21 LEU 607 3HD2 LEU 607 -2.484 0.634 -0.142 189 HD22 LEU 607 1HD2 LEU 607 -1.148 1.069 0.925 190 HD23 LEU 607 2HD2 LEU 607 -1.996 -0.459 1.154 191 H VAL 608 H VAL 608 -1.035 3.349 -2.369 192 HA VAL 608 HA VAL 608 -3.449 3.819 -1.013 193 HB VAL 608 HB VAL 608 -1.842 5.637 -2.827 194 HG11 VAL 608 1HG1 VAL 608 -4.203 6.385 -2.581 195 HG12 VAL 608 2HG1 VAL 608 -3.022 7.509 -1.906 196 HG13 VAL 608 3HG1 VAL 608 -3.948 6.459 -0.838 197 HG21 VAL 608 3HG2 VAL 608 -0.625 4.856 -0.874 198 HG22 VAL 608 1HG2 VAL 608 -1.937 5.390 0.175 199 HG23 VAL 608 2HG2 VAL 608 -0.994 6.574 -0.730 200 H GLN 609 H GLN 609 -2.623 3.996 -4.427 201 HA GLN 609 HA GLN 609 -5.095 4.705 -5.497 202 HB2 GLN 609 1HB GLN 609 -2.959 4.725 -6.719 203 HB3 GLN 609 2HB GLN 609 -2.925 2.971 -6.688 204 HG2 GLN 609 1HG GLN 609 -4.870 2.862 -8.101 205 HG3 GLN 609 2HG GLN 609 -5.035 4.620 -8.056 206 HE21 GLN 609 1HE2 GLN 609 -3.588 5.896 -9.206 207 HE22 GLN 609 2HE2 GLN 609 -2.567 5.250 -10.438 208 H ALA 610 H ALA 610 -3.800 1.553 -4.597 209 HA ALA 610 HA ALA 610 -5.800 -0.060 -5.720 210 HB1 ALA 610 3HB ALA 610 -4.143 -0.580 -3.254 211 HB2 ALA 610 1HB ALA 610 -3.659 -0.934 -4.912 212 HB3 ALA 610 2HB ALA 610 -5.024 -1.787 -4.192 213 H ILE 611 H ILE 611 -5.608 1.638 -2.609 214 HA ILE 611 HA ILE 611 -8.050 0.432 -1.672 215 HB ILE 611 HB ILE 611 -6.456 2.793 -0.530 216 HG12 ILE 611 1HG1 ILE 611 -6.659 0.140 0.890 217 HG13 ILE 611 2HG1 ILE 611 -5.520 0.322 -0.454 218 HG21 ILE 611 1HG2 ILE 611 -8.855 2.899 0.073 219 HG22 ILE 611 2HG2 ILE 611 -7.779 2.705 1.452 220 HG23 ILE 611 3HG2 ILE 611 -8.697 1.326 0.861 221 HD11 ILE 611 3HD1 ILE 611 -5.617 2.023 2.025 222 HD12 ILE 611 1HD1 ILE 611 -4.440 2.159 0.721 223 HD13 ILE 611 2HD1 ILE 611 -4.486 0.706 1.718 224 H PHE 612 H PHE 612 -7.113 3.386 -3.320 225 HA PHE 612 HA PHE 612 -9.863 4.040 -3.826 226 HB2 PHE 612 1HB PHE 612 -9.267 4.978 -1.498 227 HB3 PHE 612 2HB PHE 612 -8.239 6.114 -2.359 228 HD1 PHE 612 HD2 PHE 612 -11.619 4.834 -3.255 229 HD2 PHE 612 HD1 PHE 612 -9.256 8.172 -2.079 230 HE1 PHE 612 HE2 PHE 612 -13.553 6.316 -3.593 231 HE2 PHE 612 HE1 PHE 612 -11.189 9.657 -2.406 232 HZ PHE 612 HZ PHE 612 -13.339 8.731 -3.168 233 HA PRO 613 HA PRO 613 -7.040 5.018 -7.188 234 HB2 PRO 613 1HB PRO 613 -8.833 4.778 -9.218 235 HB3 PRO 613 2HB PRO 613 -8.109 3.380 -8.411 236 HG2 PRO 613 1HG PRO 613 -10.829 4.573 -8.095 237 HG3 PRO 613 2HG PRO 613 -10.330 2.877 -8.018 238 HD2 PRO 613 1HD PRO 613 -10.883 4.489 -5.813 239 HD3 PRO 613 2HD PRO 613 -9.905 2.998 -5.783 240 H THR 614 H THR 614 -10.195 6.585 -6.783 241 HA THR 614 HA THR 614 -9.593 8.736 -8.575 242 HB THR 614 HB THR 614 -11.672 9.773 -7.553 243 HG1 THR 614 HG1 THR 614 -11.491 8.606 -5.536 244 HG21 THR 614 1HG2 THR 614 -11.905 6.958 -8.635 245 HG22 THR 614 2HG2 THR 614 -11.759 8.426 -9.600 246 HG23 THR 614 3HG2 THR 614 -13.192 8.162 -8.607 247 HA PRO 615 HA PRO 615 -7.349 11.030 -5.361 248 HB2 PRO 615 1HB PRO 615 -6.531 12.785 -7.537 249 HB3 PRO 615 2HB PRO 615 -5.536 11.692 -6.559 250 HG2 PRO 615 1HG PRO 615 -6.009 11.243 -9.199 251 HG3 PRO 615 2HG PRO 615 -5.764 9.920 -8.031 252 HD2 PRO 615 1HD PRO 615 -8.343 11.052 -9.116 253 HD3 PRO 615 2HD PRO 615 -7.865 9.344 -8.940 254 H ASP 616 H ASP 616 -9.640 11.603 -4.816 255 HA ASP 616 HA ASP 616 -10.859 13.914 -5.963 256 HB2 ASP 616 1HB ASP 616 -12.137 12.148 -4.738 257 HB3 ASP 616 2HB ASP 616 -11.350 12.647 -3.245 258 HA PRO 617 HA PRO 617 -8.124 16.924 -4.242 259 HB2 PRO 617 1HB PRO 617 -9.890 19.082 -4.465 260 HB3 PRO 617 2HB PRO 617 -8.813 18.496 -5.740 261 HG2 PRO 617 1HG PRO 617 -11.712 17.964 -5.298 262 HG3 PRO 617 2HG PRO 617 -10.832 18.215 -6.820 263 HD2 PRO 617 1HD PRO 617 -11.587 15.768 -6.032 264 HD3 PRO 617 2HD PRO 617 -10.043 16.026 -6.883 265 H ALA 618 H ALA 618 -11.441 16.594 -3.049 266 HA ALA 618 HA ALA 618 -10.884 18.120 -0.657 267 HB1 ALA 618 3HB ALA 618 -13.269 16.398 -1.325 268 HB2 ALA 618 1HB ALA 618 -13.135 18.129 -1.628 269 HB3 ALA 618 2HB ALA 618 -13.141 17.522 0.027 270 H ALA 619 H ALA 619 -11.582 14.714 -1.425 271 HA ALA 619 HA ALA 619 -11.057 13.607 1.062 272 HB1 ALA 619 3HB ALA 619 -10.730 11.513 -0.060 273 HB2 ALA 619 1HB ALA 619 -10.377 12.334 -1.580 274 HB3 ALA 619 2HB ALA 619 -12.001 12.405 -0.897 275 H LEU 620 H LEU 620 -8.860 14.802 -1.330 276 HA LEU 620 HA LEU 620 -6.462 13.581 -0.481 277 HB2 LEU 620 1HB LEU 620 -7.208 15.436 -2.417 278 HB3 LEU 620 2HB LEU 620 -6.149 16.346 -1.362 279 HG LEU 620 HG LEU 620 -4.853 15.472 -3.177 280 HD11 LEU 620 1HD1 LEU 620 -3.751 15.488 -1.007 281 HD12 LEU 620 2HD1 LEU 620 -3.176 14.154 -2.006 282 HD13 LEU 620 3HD1 LEU 620 -4.317 13.847 -0.697 283 HD21 LEU 620 3HD2 LEU 620 -6.323 13.661 -3.858 284 HD22 LEU 620 1HD2 LEU 620 -5.897 12.750 -2.409 285 HD23 LEU 620 2HD2 LEU 620 -4.674 13.079 -3.635 286 H LYS 621 H LYS 621 -8.311 16.280 0.706 287 HA LYS 621 HA LYS 621 -6.266 16.901 2.724 288 HB2 LYS 621 1HB LYS 621 -8.748 18.446 1.909 289 HB3 LYS 621 2HB LYS 621 -7.542 18.978 3.075 290 HG2 LYS 621 1HG LYS 621 -5.876 19.168 1.379 291 HG3 LYS 621 2HG LYS 621 -6.927 18.404 0.188 292 HD2 LYS 621 1HD LYS 621 -7.501 21.032 1.556 293 HD3 LYS 621 2HD LYS 621 -6.794 20.871 -0.051 294 HE2 LYS 621 1HE LYS 621 -8.818 19.591 -0.740 295 HE3 LYS 621 2HE LYS 621 -9.523 19.948 0.834 296 HZ1 LYS 621 3HZ LYS 621 -8.710 21.953 -1.195 297 HZ2 LYS 621 1HZ LYS 621 -9.372 22.308 0.319 298 HZ3 LYS 621 2HZ LYS 621 -10.296 21.494 -0.838 299 H ASP 622 H ASP 622 -8.428 14.664 2.613 300 HA ASP 622 HA ASP 622 -9.880 15.333 5.081 301 HB2 ASP 622 1HB ASP 622 -11.095 14.407 2.992 302 HB3 ASP 622 2HB ASP 622 -10.339 12.872 3.394 303 H ARG 623 H ARG 623 -9.634 14.156 6.920 304 HA ARG 623 HA ARG 623 -7.237 12.871 7.482 305 HB2 ARG 623 1HB ARG 623 -9.906 12.688 8.872 306 HB3 ARG 623 2HB ARG 623 -8.431 11.993 9.517 307 HG2 ARG 623 1HG ARG 623 -8.915 14.925 8.985 308 HG3 ARG 623 2HG ARG 623 -8.929 14.128 10.559 309 HD2 ARG 623 1HD ARG 623 -6.563 13.457 10.161 310 HD3 ARG 623 2HD ARG 623 -6.585 14.431 8.692 311 HE ARG 623 HE ARG 623 -7.266 15.732 11.217 312 HH11 ARG 623 1HH1 ARG 623 -5.003 15.287 8.573 313 HH12 ARG 623 2HH1 ARG 623 -4.008 16.632 9.048 314 HH21 ARG 623 1HH2 ARG 623 -5.979 17.515 11.802 315 HH22 ARG 623 2HH2 ARG 623 -4.572 17.910 10.868 316 H ARG 624 H ARG 624 -10.317 11.551 6.374 317 HA ARG 624 HA ARG 624 -9.934 8.856 6.832 318 HB2 ARG 624 1HB ARG 624 -12.045 9.691 6.059 319 HB3 ARG 624 2HB ARG 624 -11.327 10.308 4.580 320 HG2 ARG 624 1HG ARG 624 -10.864 7.987 3.878 321 HG3 ARG 624 2HG ARG 624 -11.692 7.415 5.328 322 HD2 ARG 624 1HD ARG 624 -12.951 9.163 3.217 323 HD3 ARG 624 2HD ARG 624 -13.110 7.409 3.281 324 HE ARG 624 HE ARG 624 -14.081 7.883 5.606 325 HH11 ARG 624 1HH1 ARG 624 -14.453 10.028 2.860 326 HH12 ARG 624 2HH1 ARG 624 -16.000 10.621 3.378 327 HH21 ARG 624 1HH2 ARG 624 -16.116 8.663 6.278 328 HH22 ARG 624 2HH2 ARG 624 -16.941 9.852 5.315 329 H MET 625 H MET 625 -8.966 10.711 3.912 330 HA MET 625 HA MET 625 -7.750 8.463 2.699 331 HB2 MET 625 1HB MET 625 -8.376 10.284 1.274 332 HB3 MET 625 2HB MET 625 -7.341 11.402 2.150 333 HG2 MET 625 1HG MET 625 -5.351 10.188 1.412 334 HG3 MET 625 2HG MET 625 -6.379 9.034 0.559 335 HE1 MET 625 3HE MET 625 -7.829 11.113 -2.369 336 HE2 MET 625 1HE MET 625 -8.590 10.734 -0.824 337 HE3 MET 625 2HE MET 625 -7.639 9.509 -1.661 338 H GLU 626 H GLU 626 -6.536 10.928 4.908 339 HA GLU 626 HA GLU 626 -3.797 10.503 4.465 340 HB2 GLU 626 1HB GLU 626 -5.206 11.444 6.966 341 HB3 GLU 626 2HB GLU 626 -3.481 11.582 6.661 342 HG2 GLU 626 1HG GLU 626 -4.004 12.991 4.686 343 HG3 GLU 626 2HG GLU 626 -5.701 12.943 5.161 344 H ASN 627 H ASN 627 -6.092 8.976 6.686 345 HA ASN 627 HA ASN 627 -4.193 7.511 8.168 346 HB2 ASN 627 1HB ASN 627 -7.126 7.145 7.669 347 HB3 ASN 627 2HB ASN 627 -6.209 5.916 8.531 348 HD21 ASN 627 1HD2 ASN 627 -5.523 9.351 8.748 349 HD22 ASN 627 2HD2 ASN 627 -6.007 9.528 10.398 350 H LEU 628 H LEU 628 -5.963 6.722 5.206 351 HA LEU 628 HA LEU 628 -4.951 4.042 5.091 352 HB2 LEU 628 1HB LEU 628 -6.094 3.782 3.091 353 HB3 LEU 628 2HB LEU 628 -7.077 4.975 3.909 354 HG LEU 628 HG LEU 628 -5.696 6.677 2.442 355 HD11 LEU 628 1HD1 LEU 628 -4.114 5.178 1.474 356 HD12 LEU 628 2HD1 LEU 628 -5.241 5.671 0.210 357 HD13 LEU 628 3HD1 LEU 628 -5.393 4.083 0.953 358 HD21 LEU 628 3HD2 LEU 628 -8.144 6.158 2.383 359 HD22 LEU 628 1HD2 LEU 628 -7.790 4.912 1.190 360 HD23 LEU 628 2HD2 LEU 628 -7.452 6.604 0.822 361 H VAL 629 H VAL 629 -3.857 7.150 3.824 362 HA VAL 629 HA VAL 629 -1.778 6.115 2.184 363 HB VAL 629 HB VAL 629 -1.947 8.809 3.556 364 HG11 VAL 629 1HG1 VAL 629 -0.347 9.551 1.852 365 HG12 VAL 629 2HG1 VAL 629 -0.225 7.897 1.254 366 HG13 VAL 629 3HG1 VAL 629 0.333 8.290 2.880 367 HG21 VAL 629 3HG2 VAL 629 -3.837 8.435 2.079 368 HG22 VAL 629 1HG2 VAL 629 -2.747 7.967 0.774 369 HG23 VAL 629 2HG2 VAL 629 -2.739 9.624 1.378 370 H ALA 630 H ALA 630 -1.936 7.195 5.549 371 HA ALA 630 HA ALA 630 0.750 6.775 6.224 372 HB1 ALA 630 3HB ALA 630 -0.639 8.045 7.683 373 HB2 ALA 630 1HB ALA 630 -0.106 6.619 8.570 374 HB3 ALA 630 2HB ALA 630 -1.745 6.696 7.918 375 H TYR 631 H TYR 631 -2.013 4.565 6.178 376 HA TYR 631 HA TYR 631 -0.697 2.351 7.333 377 HB2 TYR 631 1HB TYR 631 -3.188 2.490 6.994 378 HB3 TYR 631 2HB TYR 631 -2.915 2.215 5.276 379 HD1 TYR 631 HD1 TYR 631 -2.125 0.705 8.600 380 HD2 TYR 631 HD2 TYR 631 -2.985 0.030 4.486 381 HE1 TYR 631 HE1 TYR 631 -2.172 -1.717 9.014 382 HE2 TYR 631 HE2 TYR 631 -3.031 -2.396 4.892 383 HH TYR 631 HH TYR 631 -2.126 -4.015 6.526 384 H ALA 632 H ALA 632 -0.890 3.544 4.008 385 HA ALA 632 HA ALA 632 0.360 1.373 2.730 386 HB1 ALA 632 3HB ALA 632 0.805 2.906 0.899 387 HB2 ALA 632 1HB ALA 632 0.479 4.288 1.948 388 HB3 ALA 632 2HB ALA 632 -0.821 3.173 1.525 389 H LYS 633 H LYS 633 1.738 4.356 4.146 390 HA LYS 633 HA LYS 633 4.431 3.712 3.681 391 HB2 LYS 633 1HB LYS 633 2.943 5.695 5.198 392 HB3 LYS 633 2HB LYS 633 4.361 5.153 6.082 393 HG2 LYS 633 1HG LYS 633 4.967 7.080 4.810 394 HG3 LYS 633 2HG LYS 633 5.734 5.672 4.067 395 HD2 LYS 633 1HD LYS 633 4.883 6.906 2.265 396 HD3 LYS 633 2HD LYS 633 3.712 5.607 2.512 397 HE2 LYS 633 1HE LYS 633 2.560 7.707 2.147 398 HE3 LYS 633 2HE LYS 633 2.297 7.151 3.798 399 HZ1 LYS 633 3HZ LYS 633 4.249 9.223 2.964 400 HZ2 LYS 633 1HZ LYS 633 3.999 8.694 4.548 401 HZ3 LYS 633 2HZ LYS 633 2.770 9.515 3.727 402 H LYS 634 H LYS 634 2.257 2.972 6.359 403 HA LYS 634 HA LYS 634 4.057 1.752 8.098 404 HB2 LYS 634 1HB LYS 634 1.697 2.290 8.634 405 HB3 LYS 634 2HB LYS 634 1.170 0.999 7.570 406 HG2 LYS 634 1HG LYS 634 3.029 0.303 9.775 407 HG3 LYS 634 2HG LYS 634 1.357 0.688 10.186 408 HD2 LYS 634 1HD LYS 634 0.599 -1.019 8.571 409 HD3 LYS 634 2HD LYS 634 2.285 -1.427 8.242 410 HE2 LYS 634 1HE LYS 634 0.941 -1.618 10.935 411 HE3 LYS 634 2HE LYS 634 1.216 -2.972 9.842 412 HZ1 LYS 634 3HZ LYS 634 3.610 -2.531 10.001 413 HZ2 LYS 634 1HZ LYS 634 2.927 -2.899 11.508 414 HZ3 LYS 634 2HZ LYS 634 3.307 -1.298 11.123 415 H VAL 635 H VAL 635 2.108 0.302 5.496 416 HA VAL 635 HA VAL 635 3.161 -2.247 5.498 417 HB VAL 635 HB VAL 635 2.059 -0.524 3.307 418 HG11 VAL 635 1HG1 VAL 635 3.178 -3.299 2.927 419 HG12 VAL 635 2HG1 VAL 635 3.790 -1.820 2.189 420 HG13 VAL 635 3HG1 VAL 635 2.193 -2.428 1.754 421 HG21 VAL 635 3HG2 VAL 635 0.575 -1.599 4.952 422 HG22 VAL 635 1HG2 VAL 635 1.204 -3.172 4.465 423 HG23 VAL 635 2HG2 VAL 635 0.301 -2.190 3.312 424 H GLU 636 H GLU 636 4.452 0.608 3.785 425 HA GLU 636 HA GLU 636 6.661 -0.609 2.613 426 HB2 GLU 636 1HB GLU 636 6.423 1.510 1.814 427 HB3 GLU 636 2HB GLU 636 5.870 2.142 3.354 428 HG2 GLU 636 1HG GLU 636 7.928 3.191 2.759 429 HG3 GLU 636 2HG GLU 636 8.185 2.156 4.156 430 H GLY 637 H GLY 637 6.279 0.776 5.858 431 HA2 GLY 637 1HA GLY 637 8.867 0.384 6.812 432 HA3 GLY 637 2HA GLY 637 7.425 0.317 7.812 433 H ASP 638 H ASP 638 6.133 -1.901 6.972 434 HA ASP 638 HA ASP 638 7.612 -4.010 8.130 435 HB2 ASP 638 1HB ASP 638 5.073 -4.041 6.492 436 HB3 ASP 638 2HB ASP 638 5.777 -5.492 7.192 437 H MET 639 H MET 639 6.889 -3.230 4.762 438 HA MET 639 HA MET 639 8.037 -5.581 3.656 439 HB2 MET 639 1HB MET 639 7.736 -2.881 2.296 440 HB3 MET 639 2HB MET 639 7.997 -4.427 1.496 441 HG2 MET 639 1HG MET 639 5.558 -3.676 3.105 442 HG3 MET 639 2HG MET 639 5.652 -3.672 1.339 443 HE1 MET 639 3HE MET 639 3.376 -5.257 2.922 444 HE2 MET 639 1HE MET 639 3.360 -6.735 1.960 445 HE3 MET 639 2HE MET 639 3.559 -5.170 1.169 446 H TYR 640 H TYR 640 9.318 -2.415 4.406 447 HA TYR 640 HA TYR 640 11.702 -2.486 3.034 448 HB2 TYR 640 1HB TYR 640 10.734 -0.572 4.470 449 HB3 TYR 640 2HB TYR 640 11.581 -1.332 5.813 450 HD1 TYR 640 HD2 TYR 640 12.703 -0.960 2.284 451 HD2 TYR 640 HD1 TYR 640 13.257 0.248 6.333 452 HE1 TYR 640 HE2 TYR 640 14.726 0.262 1.644 453 HE2 TYR 640 HE1 TYR 640 15.282 1.473 5.688 454 HH TYR 640 HH TYR 640 16.873 1.650 4.005 455 H GLU 641 H GLU 641 11.022 -4.010 6.172 456 HA GLU 641 HA GLU 641 13.727 -4.870 6.599 457 HB2 GLU 641 1HB GLU 641 11.095 -5.590 7.814 458 HB3 GLU 641 2HB GLU 641 12.459 -6.687 8.075 459 HG2 GLU 641 1HG GLU 641 12.419 -5.184 9.955 460 HG3 GLU 641 2HG GLU 641 13.746 -4.621 8.930 461 H SER 642 H SER 642 10.854 -6.400 5.292 462 HA SER 642 HA SER 642 11.954 -8.920 4.708 463 HB2 SER 642 1HB SER 642 9.670 -7.574 3.263 464 HB3 SER 642 2HB SER 642 9.950 -9.307 3.452 465 HG SER 642 HG SER 642 8.459 -7.925 4.973 466 H ALA 643 H ALA 643 11.784 -5.963 2.877 467 HA ALA 643 HA ALA 643 12.340 -6.691 0.298 468 HB1 ALA 643 3HB ALA 643 11.664 -4.465 1.054 469 HB2 ALA 643 1HB ALA 643 13.038 -4.420 -0.054 470 HB3 ALA 643 2HB ALA 643 13.293 -4.201 1.678 471 H ASN 644 H ASN 644 14.246 -8.106 2.166 472 HA ASN 644 HA ASN 644 16.873 -7.017 1.728 473 HB2 ASN 644 1HB ASN 644 16.167 -8.550 3.687 474 HB3 ASN 644 2HB ASN 644 16.192 -9.876 2.529 475 HD21 ASN 644 1HD2 ASN 644 18.486 -7.197 2.487 476 HD22 ASN 644 2HD2 ASN 644 19.873 -8.129 2.943 477 H SER 645 H SER 645 14.724 -8.476 -0.311 478 HA SER 645 HA SER 645 16.840 -8.883 -2.244 479 HB2 SER 645 1HB SER 645 15.774 -11.012 -3.056 480 HB3 SER 645 2HB SER 645 16.545 -11.146 -1.478 481 HG SER 645 HG SER 645 14.466 -10.924 -0.530 482 H ARG 646 H ARG 646 16.220 -8.357 -4.329 483 HA ARG 646 HA ARG 646 14.259 -6.415 -4.601 484 HB2 ARG 646 1HB ARG 646 15.616 -8.128 -6.678 485 HB3 ARG 646 2HB ARG 646 14.539 -6.803 -7.094 486 HG2 ARG 646 1HG ARG 646 16.889 -6.350 -5.301 487 HG3 ARG 646 2HG ARG 646 17.082 -6.393 -7.052 488 HD2 ARG 646 1HD ARG 646 15.212 -4.565 -5.544 489 HD3 ARG 646 2HD ARG 646 16.779 -4.101 -6.200 490 HE ARG 646 HE ARG 646 14.837 -5.195 -8.071 491 HH11 ARG 646 1HH1 ARG 646 16.414 -2.339 -6.769 492 HH12 ARG 646 2HH1 ARG 646 15.919 -1.324 -8.083 493 HH21 ARG 646 1HH2 ARG 646 14.204 -3.869 -9.788 494 HH22 ARG 646 2HH2 ARG 646 14.672 -2.196 -9.811 495 H ASP 647 H ASP 647 14.105 -9.796 -5.661 496 HA ASP 647 HA ASP 647 11.583 -9.682 -6.863 497 HB2 ASP 647 1HB ASP 647 13.170 -11.545 -7.186 498 HB3 ASP 647 2HB ASP 647 12.886 -12.064 -5.527 499 H GLU 648 H GLU 648 12.513 -10.360 -3.539 500 HA GLU 648 HA GLU 648 9.987 -11.216 -2.618 501 HB2 GLU 648 1HB GLU 648 12.184 -11.556 -1.456 502 HB3 GLU 648 2HB GLU 648 12.152 -9.863 -1.001 503 HG2 GLU 648 1HG GLU 648 10.220 -10.189 0.366 504 HG3 GLU 648 2HG GLU 648 10.022 -11.827 -0.248 505 H TYR 649 H TYR 649 11.571 -8.049 -2.566 506 HA TYR 649 HA TYR 649 9.652 -6.622 -1.147 507 HB2 TYR 649 1HB TYR 649 11.926 -5.786 -1.829 508 HB3 TYR 649 2HB TYR 649 11.294 -5.531 -3.450 509 HD1 TYR 649 HD2 TYR 649 9.241 -4.790 -0.466 510 HD2 TYR 649 HD1 TYR 649 11.827 -3.195 -3.445 511 HE1 TYR 649 HE2 TYR 649 8.541 -2.510 0.141 512 HE2 TYR 649 HE1 TYR 649 11.139 -0.923 -2.843 513 HH TYR 649 HH TYR 649 9.285 -0.214 -0.029 514 H TYR 650 H TYR 650 9.852 -7.111 -4.709 515 HA TYR 650 HA TYR 650 7.554 -5.637 -5.301 516 HB2 TYR 650 1HB TYR 650 9.186 -7.698 -6.740 517 HB3 TYR 650 2HB TYR 650 7.719 -7.055 -7.438 518 HD1 TYR 650 HD1 TYR 650 7.567 -4.731 -8.146 519 HD2 TYR 650 HD2 TYR 650 11.177 -6.327 -6.563 520 HE1 TYR 650 HE1 TYR 650 8.803 -2.807 -9.043 521 HE2 TYR 650 HE2 TYR 650 12.424 -4.403 -7.454 522 HH TYR 650 HH TYR 650 12.160 -2.733 -9.284 523 H HIS 651 H HIS 651 8.042 -9.046 -4.471 524 HA HIS 651 HA HIS 651 5.526 -9.943 -5.489 525 HB2 HIS 651 1HB HIS 651 7.466 -11.450 -5.181 526 HB3 HIS 651 2HB HIS 651 7.326 -11.250 -3.439 527 HD1 HIS 651 HD1 HIS 651 4.778 -12.171 -6.141 528 HD2 HIS 651 HD2 HIS 651 6.181 -13.481 -2.454 529 HE1 HIS 651 HE1 HIS 651 3.421 -14.211 -5.583 530 HE2 HIS 651 HE2 HIS 651 4.406 -15.079 -3.437 531 H LEU 652 H LEU 652 6.712 -8.948 -2.332 532 HA LEU 652 HA LEU 652 4.480 -9.675 -0.802 533 HB2 LEU 652 1HB LEU 652 6.462 -7.432 -0.429 534 HB3 LEU 652 2HB LEU 652 5.314 -7.947 0.791 535 HG LEU 652 HG LEU 652 7.419 -9.763 -0.370 536 HD11 LEU 652 1HD1 LEU 652 8.518 -7.916 0.744 537 HD12 LEU 652 2HD1 LEU 652 8.643 -9.376 1.726 538 HD13 LEU 652 3HD1 LEU 652 7.480 -8.120 2.155 539 HD21 LEU 652 3HD2 LEU 652 6.926 -11.103 1.625 540 HD22 LEU 652 1HD2 LEU 652 5.508 -10.907 0.596 541 HD23 LEU 652 2HD2 LEU 652 5.664 -9.956 2.072 542 H LEU 653 H LEU 653 5.307 -6.561 -2.283 543 HA LEU 653 HA LEU 653 2.936 -5.234 -1.557 544 HB2 LEU 653 1HB LEU 653 4.956 -4.751 -3.731 545 HB3 LEU 653 2HB LEU 653 3.584 -3.688 -3.473 546 HG LEU 653 HG LEU 653 5.356 -4.292 -1.153 547 HD11 LEU 653 1HD1 LEU 653 6.739 -2.309 -1.843 548 HD12 LEU 653 2HD1 LEU 653 6.029 -2.479 -3.449 549 HD13 LEU 653 3HD1 LEU 653 7.003 -3.783 -2.773 550 HD21 LEU 653 3HD2 LEU 653 4.748 -2.026 -0.528 551 HD22 LEU 653 1HD2 LEU 653 3.300 -2.968 -0.884 552 HD23 LEU 653 2HD2 LEU 653 3.911 -1.804 -2.063 553 H ALA 654 H ALA 654 3.845 -6.956 -4.539 554 HA ALA 654 HA ALA 654 1.535 -6.516 -6.021 555 HB1 ALA 654 3HB ALA 654 2.105 -8.552 -7.238 556 HB2 ALA 654 1HB ALA 654 3.216 -9.021 -5.953 557 HB3 ALA 654 2HB ALA 654 3.544 -7.585 -6.921 558 H GLU 655 H GLU 655 2.223 -9.036 -3.650 559 HA GLU 655 HA GLU 655 -0.218 -10.433 -3.839 560 HB2 GLU 655 1HB GLU 655 1.494 -11.567 -2.650 561 HB3 GLU 655 2HB GLU 655 1.781 -10.174 -1.599 562 HG2 GLU 655 1HG GLU 655 -0.431 -10.570 -0.570 563 HG3 GLU 655 2HG GLU 655 -0.611 -12.003 -1.580 564 H LYS 656 H LYS 656 0.731 -7.642 -1.905 565 HA LYS 656 HA LYS 656 -1.596 -7.505 -0.308 566 HB2 LYS 656 1HB LYS 656 0.279 -5.294 -1.158 567 HB3 LYS 656 2HB LYS 656 -0.959 -5.135 0.076 568 HG2 LYS 656 1HG LYS 656 1.443 -6.946 0.176 569 HG3 LYS 656 2HG LYS 656 1.215 -5.449 1.079 570 HD2 LYS 656 1HD LYS 656 0.518 -6.848 2.706 571 HD3 LYS 656 2HD LYS 656 -1.004 -6.802 1.815 572 HE2 LYS 656 1HE LYS 656 -0.458 -9.092 2.302 573 HE3 LYS 656 2HE LYS 656 -0.280 -8.818 0.569 574 HZ1 LYS 656 3HZ LYS 656 1.924 -8.917 2.561 575 HZ2 LYS 656 1HZ LYS 656 2.119 -8.594 0.909 576 HZ3 LYS 656 2HZ LYS 656 1.557 -10.110 1.412 577 H ILE 657 H ILE 657 -0.755 -5.954 -3.389 578 HA ILE 657 HA ILE 657 -3.103 -4.399 -3.574 579 HB ILE 657 HB ILE 657 -1.331 -5.396 -5.828 580 HG12 ILE 657 1HG1 ILE 657 -1.283 -2.793 -4.273 581 HG13 ILE 657 2HG1 ILE 657 -0.127 -4.106 -4.089 582 HG21 ILE 657 1HG2 ILE 657 -3.534 -4.616 -6.596 583 HG22 ILE 657 2HG2 ILE 657 -2.244 -3.525 -7.102 584 HG23 ILE 657 3HG2 ILE 657 -3.284 -3.087 -5.747 585 HD11 ILE 657 3HD1 ILE 657 0.772 -2.297 -5.439 586 HD12 ILE 657 1HD1 ILE 657 -0.555 -2.482 -6.585 587 HD13 ILE 657 2HD1 ILE 657 0.620 -3.780 -6.379 588 H TYR 658 H TYR 658 -2.279 -7.630 -4.847 589 HA TYR 658 HA TYR 658 -4.741 -7.995 -6.203 590 HB2 TYR 658 1HB TYR 658 -2.544 -9.418 -6.393 591 HB3 TYR 658 2HB TYR 658 -3.247 -10.344 -5.069 592 HD1 TYR 658 HD2 TYR 658 -4.495 -8.864 -8.278 593 HD2 TYR 658 HD1 TYR 658 -4.293 -12.326 -5.792 594 HE1 TYR 658 HE2 TYR 658 -5.837 -10.114 -9.905 595 HE2 TYR 658 HE1 TYR 658 -5.638 -13.571 -7.419 596 HH TYR 658 HH TYR 658 -7.316 -13.034 -9.239 597 H LYS 659 H LYS 659 -3.682 -8.679 -2.897 598 HA LYS 659 HA LYS 659 -5.916 -10.063 -1.991 599 HB2 LYS 659 1HB LYS 659 -3.646 -9.514 -0.838 600 HB3 LYS 659 2HB LYS 659 -4.457 -8.052 -0.298 601 HG2 LYS 659 1HG LYS 659 -4.604 -9.691 1.431 602 HG3 LYS 659 2HG LYS 659 -6.210 -9.465 0.734 603 HD2 LYS 659 1HD LYS 659 -5.878 -11.801 1.020 604 HD3 LYS 659 2HD LYS 659 -5.772 -11.473 -0.700 605 HE2 LYS 659 1HE LYS 659 -4.024 -12.999 -0.119 606 HE3 LYS 659 2HE LYS 659 -3.292 -11.437 -0.474 607 HZ1 LYS 659 3HZ LYS 659 -3.112 -11.005 1.886 608 HZ2 LYS 659 1HZ LYS 659 -2.345 -12.465 1.507 609 HZ3 LYS 659 2HZ LYS 659 -3.862 -12.477 2.247 610 H ILE 660 H ILE 660 -5.254 -6.579 -2.068 611 HA ILE 660 HA ILE 660 -7.763 -5.820 -1.043 612 HB ILE 660 HB ILE 660 -5.454 -4.440 -2.003 613 HG12 ILE 660 1HG1 ILE 660 -7.875 -3.560 -0.428 614 HG13 ILE 660 2HG1 ILE 660 -6.430 -4.313 0.235 615 HG21 ILE 660 1HG2 ILE 660 -6.593 -3.715 -3.967 616 HG22 ILE 660 2HG2 ILE 660 -6.673 -2.379 -2.824 617 HG23 ILE 660 3HG2 ILE 660 -8.079 -3.411 -3.072 618 HD11 ILE 660 3HD1 ILE 660 -6.418 -1.924 0.596 619 HD12 ILE 660 1HD1 ILE 660 -6.563 -1.646 -1.139 620 HD13 ILE 660 2HD1 ILE 660 -5.107 -2.397 -0.486 621 H GLN 661 H GLN 661 -6.716 -6.585 -4.313 622 HA GLN 661 HA GLN 661 -8.911 -5.295 -5.603 623 HB2 GLN 661 1HB GLN 661 -7.028 -7.436 -6.627 624 HB3 GLN 661 2HB GLN 661 -8.298 -6.715 -7.599 625 HG2 GLN 661 1HG GLN 661 -7.264 -4.482 -7.235 626 HG3 GLN 661 2HG GLN 661 -5.952 -5.274 -6.368 627 HE21 GLN 661 1HE2 GLN 661 -5.915 -7.575 -8.123 628 HE22 GLN 661 2HE2 GLN 661 -5.197 -7.057 -9.605 629 H LYS 662 H LYS 662 -8.328 -8.611 -4.518 630 HA LYS 662 HA LYS 662 -10.776 -9.626 -5.500 631 HB2 LYS 662 1HB LYS 662 -10.390 -11.552 -4.007 632 HB3 LYS 662 2HB LYS 662 -9.007 -11.177 -5.014 633 HG2 LYS 662 1HG LYS 662 -7.957 -11.580 -3.045 634 HG3 LYS 662 2HG LYS 662 -8.237 -9.848 -2.873 635 HD2 LYS 662 1HD LYS 662 -8.844 -10.903 -0.815 636 HD3 LYS 662 2HD LYS 662 -10.326 -10.387 -1.615 637 HE2 LYS 662 1HE LYS 662 -10.627 -12.599 -0.691 638 HE3 LYS 662 2HE LYS 662 -10.641 -12.689 -2.450 639 HZ1 LYS 662 3HZ LYS 662 -8.300 -13.313 -0.732 640 HZ2 LYS 662 1HZ LYS 662 -8.379 -13.485 -2.415 641 HZ3 LYS 662 2HZ LYS 662 -9.333 -14.462 -1.416 642 H GLU 663 H GLU 663 -9.840 -8.089 -2.473 643 HA GLU 663 HA GLU 663 -12.258 -8.460 -1.088 644 HB2 GLU 663 1HB GLU 663 -10.160 -6.313 -0.954 645 HB3 GLU 663 2HB GLU 663 -11.583 -6.279 0.072 646 HG2 GLU 663 1HG GLU 663 -9.655 -8.582 -0.023 647 HG3 GLU 663 2HG GLU 663 -9.538 -7.245 1.122 648 H LEU 664 H LEU 664 -11.204 -5.873 -3.292 649 HA LEU 664 HA LEU 664 -13.341 -4.136 -2.919 650 HB2 LEU 664 1HB LEU 664 -11.786 -4.605 -5.464 651 HB3 LEU 664 2HB LEU 664 -12.797 -3.210 -5.138 652 HG LEU 664 HG LEU 664 -10.300 -3.933 -3.603 653 HD11 LEU 664 1HD1 LEU 664 -10.782 -1.795 -5.673 654 HD12 LEU 664 2HD1 LEU 664 -9.802 -3.246 -5.887 655 HD13 LEU 664 3HD1 LEU 664 -9.307 -2.009 -4.731 656 HD21 LEU 664 3HD2 LEU 664 -10.547 -1.686 -2.645 657 HD22 LEU 664 1HD2 LEU 664 -11.903 -2.734 -2.230 658 HD23 LEU 664 2HD2 LEU 664 -12.088 -1.507 -3.483 659 H GLU 665 H GLU 665 -13.032 -6.754 -5.326 660 HA GLU 665 HA GLU 665 -15.571 -6.288 -6.487 661 HB2 GLU 665 1HB GLU 665 -15.296 -8.593 -7.444 662 HB3 GLU 665 2HB GLU 665 -13.988 -7.474 -7.796 663 HG2 GLU 665 1HG GLU 665 -12.663 -8.503 -5.997 664 HG3 GLU 665 2HG GLU 665 -13.966 -9.661 -5.733 665 H GLU 666 H GLU 666 -14.481 -8.345 -3.845 666 HA GLU 666 HA GLU 666 -16.886 -9.769 -3.461 667 HB2 GLU 666 1HB GLU 666 -14.662 -10.366 -2.481 668 HB3 GLU 666 2HB GLU 666 -14.838 -9.016 -1.369 669 HG2 GLU 666 1HG GLU 666 -15.433 -11.069 -0.267 670 HG3 GLU 666 2HG GLU 666 -16.866 -10.059 -0.454 671 H LYS 667 H LYS 667 -15.652 -6.759 -2.052 672 HA LYS 667 HA LYS 667 -17.914 -6.264 -0.384 673 HB2 LYS 667 1HB LYS 667 -16.025 -4.188 -1.528 674 HB3 LYS 667 2HB LYS 667 -17.019 -4.036 -0.089 675 HG2 LYS 667 1HG LYS 667 -14.537 -5.710 -0.465 676 HG3 LYS 667 2HG LYS 667 -14.811 -4.375 0.656 677 HD2 LYS 667 1HD LYS 667 -16.195 -5.654 2.044 678 HD3 LYS 667 2HD LYS 667 -16.451 -6.883 0.806 679 HE2 LYS 667 1HE LYS 667 -14.966 -7.741 2.502 680 HE3 LYS 667 2HE LYS 667 -14.084 -7.535 0.993 681 HZ1 LYS 667 3HZ LYS 667 -13.984 -5.765 3.374 682 HZ2 LYS 667 1HZ LYS 667 -13.239 -5.408 1.894 683 HZ3 LYS 667 2HZ LYS 667 -12.744 -6.761 2.787 684 H ARG 668 H ARG 668 -17.067 -5.453 -3.685 685 HA ARG 668 HA ARG 668 -19.039 -3.613 -4.264 686 HB2 ARG 668 1HB ARG 668 -17.061 -4.110 -5.672 687 HB3 ARG 668 2HB ARG 668 -17.807 -5.637 -6.115 688 HG2 ARG 668 1HG ARG 668 -19.709 -4.311 -7.073 689 HG3 ARG 668 2HG ARG 668 -18.727 -2.867 -6.817 690 HD2 ARG 668 1HD ARG 668 -18.420 -3.587 -9.079 691 HD3 ARG 668 2HD ARG 668 -16.938 -3.922 -8.187 692 HE ARG 668 HE ARG 668 -18.882 -6.085 -8.467 693 HH11 ARG 668 1HH1 ARG 668 -15.792 -4.702 -9.367 694 HH12 ARG 668 2HH1 ARG 668 -15.256 -6.134 -10.187 695 HH21 ARG 668 1HH2 ARG 668 -18.163 -7.972 -9.510 696 HH22 ARG 668 2HH2 ARG 668 -16.597 -7.996 -10.262 697 H ARG 669 H ARG 669 -19.224 -6.888 -3.787 698 HA ARG 669 HA ARG 669 -21.391 -7.846 -5.108 699 HB2 ARG 669 1HB ARG 669 -20.198 -9.233 -3.555 700 HB3 ARG 669 2HB ARG 669 -20.698 -8.232 -2.203 701 HG2 ARG 669 1HG ARG 669 -23.045 -8.918 -2.642 702 HG3 ARG 669 2HG ARG 669 -22.434 -10.032 -3.869 703 HD2 ARG 669 1HD ARG 669 -21.202 -11.262 -2.243 704 HD3 ARG 669 2HD ARG 669 -21.519 -10.051 -1.004 705 HE ARG 669 HE ARG 669 -23.793 -11.477 -2.174 706 HH11 ARG 669 1HH1 ARG 669 -21.622 -10.994 0.528 707 HH12 ARG 669 2HH1 ARG 669 -22.695 -11.718 1.683 708 HH21 ARG 669 1HH2 ARG 669 -25.195 -12.458 -0.668 709 HH22 ARG 669 2HH2 ARG 669 -24.724 -12.561 0.999 710 H SER 670 H SER 670 -21.513 -5.680 -2.296 711 HA SER 670 HA SER 670 -24.402 -5.385 -2.756 712 HB2 SER 670 1HB SER 670 -24.382 -4.214 -0.566 713 HB3 SER 670 2HB SER 670 -23.546 -5.766 -0.384 714 HG SER 670 HG SER 670 -21.760 -4.757 0.027 715 H ARG 671 H ARG 671 -21.471 -3.399 -2.376 716 HA ARG 671 HA ARG 671 -20.853 -1.388 -3.239 717 HB2 ARG 671 1HB ARG 671 -20.925 -2.478 -5.380 718 HB3 ARG 671 2HB ARG 671 -22.671 -2.317 -5.466 719 HG2 ARG 671 1HG ARG 671 -21.562 -0.733 -6.940 720 HG3 ARG 671 2HG ARG 671 -22.455 0.100 -5.670 721 HD2 ARG 671 1HD ARG 671 -20.372 1.208 -5.897 722 HD3 ARG 671 2HD ARG 671 -20.304 0.277 -4.404 723 HE ARG 671 HE ARG 671 -19.157 -0.851 -6.856 724 HH11 ARG 671 1HH1 ARG 671 -18.749 0.396 -3.606 725 HH12 ARG 671 2HH1 ARG 671 -17.078 -0.066 -3.505 726 HH21 ARG 671 1HH2 ARG 671 -16.937 -1.431 -6.728 727 HH22 ARG 671 2HH2 ARG 671 -16.047 -1.093 -5.278 728 H LEU 672 H LEU 672 -22.089 -0.573 -1.344 729 HA LEU 672 HA LEU 672 -24.624 0.604 -1.643 730 HB2 LEU 672 1HB LEU 672 -22.347 1.323 0.217 731 HB3 LEU 672 2HB LEU 672 -23.994 1.889 0.400 732 HG LEU 672 HG LEU 672 -23.089 -0.989 0.594 733 HD11 LEU 672 1HD1 LEU 672 -22.345 0.340 2.484 734 HD12 LEU 672 2HD1 LEU 672 -23.643 -0.752 2.967 735 HD13 LEU 672 3HD1 LEU 672 -23.979 0.960 2.713 736 HD21 LEU 672 3HD2 LEU 672 -25.370 -1.430 1.364 737 HD22 LEU 672 1HD2 LEU 672 -25.355 -0.811 -0.287 738 HD23 LEU 672 2HD2 LEU 672 -25.802 0.251 1.048 739 H1 ASP 840 1H ASP 840 4.151 -11.206 11.036 740 HA ASP 840 HA ASP 840 1.353 -10.315 10.964 741 HB2 ASP 840 1HB ASP 840 3.457 -9.459 12.988 742 HB3 ASP 840 2HB ASP 840 1.832 -8.794 12.863 743 H ALA 841 H ALA 841 3.202 -10.174 8.850 744 HA ALA 841 HA ALA 841 4.132 -7.388 8.880 745 HB1 ALA 841 3HB ALA 841 5.681 -8.001 7.145 746 HB2 ALA 841 1HB ALA 841 4.955 -9.603 7.011 747 HB3 ALA 841 2HB ALA 841 5.821 -9.147 8.477 748 H GLY 842 H GLY 842 1.371 -7.983 8.438 749 HA2 GLY 842 1HA GLY 842 -0.215 -6.940 7.123 750 HA3 GLY 842 2HA GLY 842 1.054 -6.482 5.996 751 H ASN 843 H ASN 843 -1.153 -9.003 6.963 752 HA ASN 843 HA ASN 843 -0.554 -10.576 4.583 753 HB2 ASN 843 1HB ASN 843 -2.542 -11.077 6.810 754 HB3 ASN 843 2HB ASN 843 -2.184 -12.193 5.497 755 HD21 ASN 843 1HD2 ASN 843 0.680 -11.558 5.532 756 HD22 ASN 843 2HD2 ASN 843 1.315 -12.340 6.932 757 H ILE 844 H ILE 844 -3.482 -9.234 6.077 758 HA ILE 844 HA ILE 844 -4.493 -8.626 3.376 759 HB ILE 844 HB ILE 844 -6.262 -9.502 5.684 760 HG12 ILE 844 1HG1 ILE 844 -5.385 -11.091 3.254 761 HG13 ILE 844 2HG1 ILE 844 -4.862 -11.384 4.909 762 HG21 ILE 844 1HG2 ILE 844 -6.848 -9.070 2.753 763 HG22 ILE 844 2HG2 ILE 844 -7.351 -8.025 4.079 764 HG23 ILE 844 3HG2 ILE 844 -7.997 -9.662 3.953 765 HD11 ILE 844 3HD1 ILE 844 -7.677 -11.631 3.877 766 HD12 ILE 844 1HD1 ILE 844 -7.157 -11.928 5.535 767 HD13 ILE 844 2HD1 ILE 844 -6.575 -12.962 4.230 768 H LEU 845 H LEU 845 -5.602 -6.639 3.196 769 HA LEU 845 HA LEU 845 -4.918 -4.756 5.264 770 HB2 LEU 845 1HB LEU 845 -6.277 -4.390 2.594 771 HB3 LEU 845 2HB LEU 845 -5.913 -3.074 3.695 772 HG LEU 845 HG LEU 845 -3.461 -4.133 3.508 773 HD11 LEU 845 1HD1 LEU 845 -4.661 -4.700 0.803 774 HD12 LEU 845 2HD1 LEU 845 -4.175 -5.920 1.979 775 HD13 LEU 845 3HD1 LEU 845 -2.966 -4.857 1.262 776 HD21 LEU 845 3HD2 LEU 845 -2.961 -2.430 1.831 777 HD22 LEU 845 1HD2 LEU 845 -4.034 -1.814 3.088 778 HD23 LEU 845 2HD2 LEU 845 -4.684 -2.246 1.508 779 HA PRO 846 HA PRO 846 -8.376 -5.479 7.668 780 HB2 PRO 846 1HB PRO 846 -8.473 -3.125 9.061 781 HB3 PRO 846 2HB PRO 846 -7.312 -4.421 9.366 782 HG2 PRO 846 1HG PRO 846 -6.970 -1.903 7.795 783 HG3 PRO 846 2HG PRO 846 -5.852 -2.671 8.937 784 HD2 PRO 846 1HD PRO 846 -5.535 -2.904 6.285 785 HD3 PRO 846 2HD PRO 846 -5.152 -4.239 7.391 786 H SER 847 H SER 847 -10.457 -5.069 8.098 787 HA SER 847 HA SER 847 -12.147 -4.094 6.146 788 HB2 SER 847 1HB SER 847 -12.736 -4.402 9.096 789 HB3 SER 847 2HB SER 847 -13.917 -4.404 7.785 790 HG SER 847 HG SER 847 -13.324 -6.528 8.475 791 H ASP 848 H ASP 848 -10.870 -2.489 9.009 792 HA ASP 848 HA ASP 848 -12.471 -0.228 9.081 793 HB2 ASP 848 1HB ASP 848 -10.798 -0.760 10.811 794 HB3 ASP 848 2HB ASP 848 -9.505 -0.357 9.682 795 H ILE 849 H ILE 849 -9.418 -0.650 7.265 796 HA ILE 849 HA ILE 849 -9.544 1.886 6.017 797 HB ILE 849 HB ILE 849 -8.132 -0.549 4.897 798 HG12 ILE 849 1HG1 ILE 849 -7.471 -0.133 7.243 799 HG13 ILE 849 2HG1 ILE 849 -6.160 0.227 6.131 800 HG21 ILE 849 1HG2 ILE 849 -8.358 1.313 3.335 801 HG22 ILE 849 2HG2 ILE 849 -6.681 1.142 3.852 802 HG23 ILE 849 3HG2 ILE 849 -7.686 2.419 4.536 803 HD11 ILE 849 3HD1 ILE 849 -6.642 2.614 6.339 804 HD12 ILE 849 1HD1 ILE 849 -6.306 1.881 7.906 805 HD13 ILE 849 2HD1 ILE 849 -7.966 2.248 7.444 806 H MET 850 H MET 850 -10.716 -1.308 5.101 807 HA MET 850 HA MET 850 -11.700 -0.776 2.561 808 HB2 MET 850 1HB MET 850 -12.879 -2.528 4.730 809 HB3 MET 850 2HB MET 850 -13.413 -2.550 3.057 810 HG2 MET 850 1HG MET 850 -10.538 -3.026 3.661 811 HG3 MET 850 2HG MET 850 -11.703 -4.307 3.973 812 HE1 MET 850 3HE MET 850 -11.459 -1.643 0.853 813 HE2 MET 850 1HE MET 850 -10.401 -2.667 -0.111 814 HE3 MET 850 2HE MET 850 -9.879 -2.109 1.480 815 H ASP 851 H ASP 851 -13.149 -0.157 5.723 816 HA ASP 851 HA ASP 851 -15.635 0.832 4.888 817 HB2 ASP 851 1HB ASP 851 -14.454 0.679 7.420 818 HB3 ASP 851 2HB ASP 851 -14.447 2.427 7.123 819 H PHE 852 H PHE 852 -12.476 2.436 4.808 820 HA PHE 852 HA PHE 852 -13.477 5.068 4.551 821 HB2 PHE 852 1HB PHE 852 -10.854 3.870 3.651 822 HB3 PHE 852 2HB PHE 852 -11.219 5.588 3.588 823 HD1 PHE 852 HD1 PHE 852 -12.806 5.480 6.305 824 HD2 PHE 852 HD2 PHE 852 -8.946 4.191 5.063 825 HE1 PHE 852 HE1 PHE 852 -11.980 5.754 8.603 826 HE2 PHE 852 HE2 PHE 852 -8.115 4.457 7.359 827 HZ PHE 852 HZ PHE 852 -9.632 5.238 9.134 828 H VAL 853 H VAL 853 -12.385 2.738 2.076 829 HA VAL 853 HA VAL 853 -13.052 4.431 -0.096 830 HB VAL 853 HB VAL 853 -11.440 2.734 -0.513 831 HG11 VAL 853 1HG1 VAL 853 -11.941 0.341 -0.455 832 HG12 VAL 853 2HG1 VAL 853 -13.548 0.698 0.179 833 HG13 VAL 853 3HG1 VAL 853 -12.116 1.088 1.134 834 HG21 VAL 853 3HG2 VAL 853 -12.885 3.318 -2.402 835 HG22 VAL 853 1HG2 VAL 853 -13.973 2.001 -1.973 836 HG23 VAL 853 2HG2 VAL 853 -12.330 1.648 -2.504 837 H LEU 854 H LEU 854 -14.818 1.831 1.534 838 HA LEU 854 HA LEU 854 -17.050 1.826 -0.196 839 HB2 LEU 854 1HB LEU 854 -16.535 0.833 2.567 840 HB3 LEU 854 2HB LEU 854 -18.195 0.948 2.028 841 HG LEU 854 HG LEU 854 -17.153 -1.322 1.802 842 HD11 LEU 854 1HD1 LEU 854 -18.121 -1.825 -0.332 843 HD12 LEU 854 2HD1 LEU 854 -18.042 -0.138 -0.824 844 HD13 LEU 854 3HD1 LEU 854 -19.127 -0.627 0.478 845 HD21 LEU 854 3HD2 LEU 854 -15.650 -1.732 -0.077 846 HD22 LEU 854 1HD2 LEU 854 -14.921 -0.661 1.119 847 HD23 LEU 854 2HD2 LEU 854 -15.562 0.003 -0.385 848 H LYS 855 H LYS 855 -16.263 3.762 2.643 849 HA LYS 855 HA LYS 855 -18.948 4.820 2.854 850 HB2 LYS 855 1HB LYS 855 -17.445 4.437 4.839 851 HB3 LYS 855 2HB LYS 855 -16.459 5.779 4.288 852 HG2 LYS 855 1HG LYS 855 -17.923 6.531 6.060 853 HG3 LYS 855 2HG LYS 855 -18.405 7.283 4.539 854 HD2 LYS 855 1HD LYS 855 -20.426 6.638 5.499 855 HD3 LYS 855 2HD LYS 855 -20.090 5.345 4.351 856 HE2 LYS 855 1HE LYS 855 -19.452 5.229 7.296 857 HE3 LYS 855 2HE LYS 855 -20.906 4.559 6.569 858 HZ1 LYS 855 3HZ LYS 855 -19.472 2.766 6.737 859 HZ2 LYS 855 1HZ LYS 855 -18.111 3.653 6.264 860 HZ3 LYS 855 2HZ LYS 855 -19.291 3.239 5.126 861 H ASN 856 H ASN 856 -16.541 5.442 0.715 862 HA ASN 856 HA ASN 856 -17.363 8.267 0.448 863 HB2 ASN 856 1HB ASN 856 -14.900 7.849 0.859 864 HB3 ASN 856 2HB ASN 856 -14.849 7.012 -0.687 865 HD21 ASN 856 1HD2 ASN 856 -13.483 9.444 0.256 866 HD22 ASN 856 2HD2 ASN 856 -13.883 10.678 -0.884 867 H THR 857 H THR 857 -18.470 8.799 -1.345 868 HA THR 857 HA THR 857 -18.965 6.683 -3.294 869 HB THR 857 HB THR 857 -20.458 9.285 -2.929 870 HG1 THR 857 HG1 THR 857 -20.688 7.981 -1.079 871 HG21 THR 857 1HG2 THR 857 -22.213 8.182 -4.224 872 HG22 THR 857 2HG2 THR 857 -21.204 6.746 -4.388 873 HG23 THR 857 3HG2 THR 857 -20.713 8.260 -5.147 874 HA PRO 858 HA PRO 858 -16.378 9.225 -6.014 875 HB2 PRO 858 1HB PRO 858 -16.052 6.896 -7.662 876 HB3 PRO 858 2HB PRO 858 -14.858 7.664 -6.617 877 HG2 PRO 858 1HG PRO 858 -15.943 5.170 -6.181 878 HG3 PRO 858 2HG PRO 858 -15.222 6.188 -4.922 879 HD2 PRO 858 1HD PRO 858 -18.102 5.754 -5.595 880 HD3 PRO 858 2HD PRO 858 -17.325 5.948 -4.008 Start of MODEL 7 1 H1 GLY 586 1H GLY 586 35.197 -7.078 2.111 2 HA2 GLY 586 1HA GLY 586 35.386 -6.435 -0.375 3 HA3 GLY 586 2HA GLY 586 36.338 -7.909 -0.469 4 H VAL 587 H VAL 587 33.172 -6.651 0.421 5 HA VAL 587 HA VAL 587 32.009 -9.205 -0.468 6 HB VAL 587 HB VAL 587 30.015 -8.628 0.924 7 HG11 VAL 587 1HG1 VAL 587 31.653 -10.215 1.741 8 HG12 VAL 587 2HG1 VAL 587 31.036 -9.241 3.074 9 HG13 VAL 587 3HG1 VAL 587 32.628 -8.903 2.398 10 HG21 VAL 587 3HG2 VAL 587 31.817 -6.481 2.036 11 HG22 VAL 587 1HG2 VAL 587 30.251 -6.953 2.696 12 HG23 VAL 587 2HG2 VAL 587 30.349 -6.223 1.094 13 H ARG 588 H ARG 588 29.978 -9.055 -1.629 14 HA ARG 588 HA ARG 588 29.833 -6.558 -3.167 15 HB2 ARG 588 1HB ARG 588 28.886 -7.855 -4.989 16 HB3 ARG 588 2HB ARG 588 30.379 -8.611 -4.463 17 HG2 ARG 588 1HG ARG 588 29.037 -10.443 -4.735 18 HG3 ARG 588 2HG ARG 588 28.770 -10.103 -3.029 19 HD2 ARG 588 1HD ARG 588 26.729 -8.820 -3.676 20 HD3 ARG 588 2HD ARG 588 26.977 -9.362 -5.336 21 HE ARG 588 HE ARG 588 26.930 -11.566 -3.553 22 HH11 ARG 588 1HH1 ARG 588 24.831 -9.258 -5.139 23 HH12 ARG 588 2HH1 ARG 588 23.446 -10.302 -5.104 24 HH21 ARG 588 1HH2 ARG 588 25.102 -12.931 -3.470 25 HH22 ARG 588 2HH2 ARG 588 23.596 -12.390 -4.139 26 H LYS 589 H LYS 589 28.229 -8.294 -0.783 27 HA LYS 589 HA LYS 589 25.535 -7.911 -1.583 28 HB2 LYS 589 1HB LYS 589 24.976 -8.681 0.641 29 HB3 LYS 589 2HB LYS 589 26.401 -9.601 0.151 30 HG2 LYS 589 1HG LYS 589 27.817 -8.161 1.486 31 HG3 LYS 589 2HG LYS 589 26.422 -7.187 1.954 32 HD2 LYS 589 1HD LYS 589 25.420 -9.126 3.043 33 HD3 LYS 589 2HD LYS 589 26.787 -10.124 2.546 34 HE2 LYS 589 1HE LYS 589 27.001 -9.427 4.874 35 HE3 LYS 589 2HE LYS 589 28.290 -8.746 3.884 36 HZ1 LYS 589 3HZ LYS 589 25.847 -7.319 4.786 37 HZ2 LYS 589 1HZ LYS 589 27.050 -6.661 3.799 38 HZ3 LYS 589 2HZ LYS 589 27.408 -7.097 5.389 39 H GLY 590 H GLY 590 24.300 -6.155 -1.502 40 HA2 GLY 590 1HA GLY 590 24.552 -4.203 0.552 41 HA3 GLY 590 2HA GLY 590 25.089 -3.607 -1.012 42 H TRP 591 H TRP 591 22.441 -5.618 0.180 43 HA TRP 591 HA TRP 591 20.643 -5.071 -1.833 44 HB2 TRP 591 1HB TRP 591 20.047 -5.754 1.058 45 HB3 TRP 591 2HB TRP 591 18.956 -5.987 -0.316 46 HD1 TRP 591 HD1 TRP 591 20.500 -7.328 -2.428 47 HE1 TRP 591 HE1 TRP 591 21.675 -9.558 -2.174 48 HE3 TRP 591 HE3 TRP 591 20.887 -7.445 2.663 49 HZ2 TRP 591 HZ2 TRP 591 22.648 -11.227 -0.071 50 HZ3 TRP 591 HZ3 TRP 591 21.951 -9.396 3.718 51 HH2 TRP 591 HH2 TRP 591 22.812 -11.245 2.379 52 H HIS 592 H HIS 592 20.992 -3.466 1.305 53 HA HIS 592 HA HIS 592 18.949 -1.576 0.734 54 HB2 HIS 592 1HB HIS 592 21.036 -1.726 2.893 55 HB3 HIS 592 2HB HIS 592 20.036 -0.292 2.704 56 HD1 HIS 592 HD1 HIS 592 19.998 -2.369 5.139 57 HD2 HIS 592 HD2 HIS 592 17.259 -2.114 2.024 58 HE1 HIS 592 HE1 HIS 592 17.883 -3.399 6.014 59 HE2 HIS 592 HE2 HIS 592 16.328 -3.442 4.034 60 H GLU 593 H GLU 593 22.310 -1.634 -0.159 61 HA GLU 593 HA GLU 593 22.397 1.230 -0.488 62 HB2 GLU 593 1HB GLU 593 24.696 0.969 -1.125 63 HB3 GLU 593 2HB GLU 593 24.353 -0.014 0.288 64 HG2 GLU 593 1HG GLU 593 25.687 -1.399 -0.936 65 HG3 GLU 593 2HG GLU 593 24.077 -1.938 -1.399 66 H HIS 594 H HIS 594 21.491 -1.425 -2.496 67 HA HIS 594 HA HIS 594 21.543 0.411 -4.787 68 HB2 HIS 594 1HB HIS 594 21.099 -1.536 -6.252 69 HB3 HIS 594 2HB HIS 594 22.617 -1.653 -5.374 70 HD1 HIS 594 HD1 HIS 594 19.110 -3.073 -5.315 71 HD2 HIS 594 HD2 HIS 594 22.942 -3.982 -4.022 72 HE1 HIS 594 HE1 HIS 594 18.985 -5.430 -4.447 73 HE2 HIS 594 HE2 HIS 594 21.377 -6.038 -3.948 74 H VAL 595 H VAL 595 19.647 0.754 -2.712 75 HA VAL 595 HA VAL 595 17.282 0.684 -4.456 76 HB VAL 595 HB VAL 595 17.326 0.171 -1.483 77 HG11 VAL 595 1HG1 VAL 595 14.959 0.768 -3.272 78 HG12 VAL 595 2HG1 VAL 595 15.518 1.704 -1.886 79 HG13 VAL 595 3HG1 VAL 595 14.838 0.098 -1.642 80 HG21 VAL 595 3HG2 VAL 595 17.717 -1.789 -2.900 81 HG22 VAL 595 1HG2 VAL 595 16.211 -1.462 -3.757 82 HG23 VAL 595 2HG2 VAL 595 16.176 -1.899 -2.049 83 H THR 596 H THR 596 16.383 2.644 -4.741 84 HA THR 596 HA THR 596 17.500 4.876 -3.256 85 HB THR 596 HB THR 596 17.558 5.239 -5.579 86 HG1 THR 596 HG1 THR 596 16.778 7.186 -5.427 87 HG21 THR 596 1HG2 THR 596 15.997 3.531 -6.299 88 HG22 THR 596 2HG2 THR 596 15.587 5.075 -7.044 89 HG23 THR 596 3HG2 THR 596 14.645 4.474 -5.679 90 H GLN 597 H GLN 597 16.053 6.663 -2.597 91 HA GLN 597 HA GLN 597 13.999 5.810 -0.854 92 HB2 GLN 597 1HB GLN 597 15.344 7.899 -0.596 93 HB3 GLN 597 2HB GLN 597 14.503 8.576 -1.978 94 HG2 GLN 597 1HG GLN 597 13.516 9.470 -0.017 95 HG3 GLN 597 2HG GLN 597 12.372 8.331 -0.723 96 HE21 GLN 597 1HE2 GLN 597 15.206 7.328 1.054 97 HE22 GLN 597 2HE2 GLN 597 14.368 6.718 2.426 98 H ASP 598 H ASP 598 14.063 7.167 -4.064 99 HA ASP 598 HA ASP 598 11.347 7.754 -4.393 100 HB2 ASP 598 1HB ASP 598 13.082 8.580 -5.929 101 HB3 ASP 598 2HB ASP 598 13.329 6.945 -6.528 102 H LEU 599 H LEU 599 13.132 4.769 -4.961 103 HA LEU 599 HA LEU 599 11.223 3.280 -6.256 104 HB2 LEU 599 1HB LEU 599 13.611 2.644 -5.707 105 HB3 LEU 599 2HB LEU 599 13.063 2.192 -4.105 106 HG LEU 599 HG LEU 599 11.456 0.597 -5.243 107 HD11 LEU 599 1HD1 LEU 599 13.169 1.326 -7.606 108 HD12 LEU 599 2HD1 LEU 599 11.438 1.604 -7.427 109 HD13 LEU 599 3HD1 LEU 599 12.060 -0.042 -7.545 110 HD21 LEU 599 3HD2 LEU 599 13.240 -1.066 -5.722 111 HD22 LEU 599 1HD2 LEU 599 13.444 -0.233 -4.180 112 HD23 LEU 599 2HD2 LEU 599 14.429 0.228 -5.568 113 H ARG 600 H ARG 600 11.683 3.612 -2.744 114 HA ARG 600 HA ARG 600 9.505 1.965 -2.042 115 HB2 ARG 600 1HB ARG 600 11.044 4.040 -0.520 116 HB3 ARG 600 2HB ARG 600 9.664 3.212 0.192 117 HG2 ARG 600 1HG ARG 600 10.849 1.050 -0.442 118 HG3 ARG 600 2HG ARG 600 12.271 2.059 -0.715 119 HD2 ARG 600 1HD ARG 600 10.725 2.147 1.852 120 HD3 ARG 600 2HD ARG 600 12.005 0.971 1.581 121 HE ARG 600 HE ARG 600 13.508 2.901 1.250 122 HH11 ARG 600 1HH1 ARG 600 10.477 3.454 2.925 123 HH12 ARG 600 2HH1 ARG 600 11.140 4.702 3.940 124 HH21 ARG 600 1HH2 ARG 600 14.361 4.525 2.592 125 HH22 ARG 600 2HH2 ARG 600 13.337 5.305 3.757 126 H SER 601 H SER 601 9.712 5.488 -2.477 127 HA SER 601 HA SER 601 7.116 6.014 -1.468 128 HB2 SER 601 1HB SER 601 7.369 8.212 -2.647 129 HB3 SER 601 2HB SER 601 8.723 7.816 -1.591 130 HG SER 601 HG SER 601 9.582 8.509 -3.506 131 H HIS 602 H HIS 602 8.401 5.374 -4.671 132 HA HIS 602 HA HIS 602 6.122 5.721 -6.224 133 HB2 HIS 602 1HB HIS 602 8.532 5.120 -6.938 134 HB3 HIS 602 2HB HIS 602 8.059 3.447 -6.662 135 HD1 HIS 602 HD1 HIS 602 8.123 5.987 -9.216 136 HD2 HIS 602 HD2 HIS 602 5.755 2.687 -8.357 137 HE1 HIS 602 HE1 HIS 602 6.938 5.434 -11.358 138 HE2 HIS 602 HE2 HIS 602 5.677 3.312 -10.862 139 H LEU 603 H LEU 603 7.243 2.818 -4.528 140 HA LEU 603 HA LEU 603 5.129 1.141 -5.281 141 HB2 LEU 603 1HB LEU 603 6.817 0.976 -2.790 142 HB3 LEU 603 2HB LEU 603 5.847 -0.312 -3.466 143 HG LEU 603 HG LEU 603 8.208 0.952 -4.861 144 HD11 LEU 603 1HD1 LEU 603 9.367 -1.141 -4.377 145 HD12 LEU 603 2HD1 LEU 603 7.982 -1.691 -3.433 146 HD13 LEU 603 3HD1 LEU 603 8.916 -0.293 -2.897 147 HD21 LEU 603 3HD2 LEU 603 6.540 -1.466 -5.546 148 HD22 LEU 603 1HD2 LEU 603 7.998 -0.950 -6.395 149 HD23 LEU 603 2HD2 LEU 603 6.559 0.070 -6.412 150 H VAL 604 H VAL 604 5.438 3.361 -2.561 151 HA VAL 604 HA VAL 604 3.280 2.404 -1.020 152 HB VAL 604 HB VAL 604 4.528 5.153 -1.205 153 HG11 VAL 604 1HG1 VAL 604 2.510 4.171 0.814 154 HG12 VAL 604 2HG1 VAL 604 2.206 5.367 -0.447 155 HG13 VAL 604 3HG1 VAL 604 3.347 5.723 0.849 156 HG21 VAL 604 3HG2 VAL 604 5.522 4.552 0.942 157 HG22 VAL 604 1HG2 VAL 604 5.965 3.395 -0.313 158 HG23 VAL 604 2HG2 VAL 604 4.726 2.981 0.874 159 H HIS 605 H HIS 605 3.481 4.747 -3.645 160 HA HIS 605 HA HIS 605 0.846 5.718 -3.443 161 HB2 HIS 605 1HB HIS 605 2.834 5.733 -5.699 162 HB3 HIS 605 2HB HIS 605 1.199 6.368 -5.913 163 HD1 HIS 605 HD1 HIS 605 4.413 7.056 -4.080 164 HD2 HIS 605 HD2 HIS 605 0.681 8.789 -4.664 165 HE1 HIS 605 HE1 HIS 605 4.597 9.388 -3.164 166 HE2 HIS 605 HE2 HIS 605 2.257 10.307 -3.292 167 H LYS 606 H LYS 606 2.194 2.954 -5.193 168 HA LYS 606 HA LYS 606 -0.030 2.280 -6.735 169 HB2 LYS 606 1HB LYS 606 2.016 0.502 -5.402 170 HB3 LYS 606 2HB LYS 606 0.805 -0.093 -6.527 171 HG2 LYS 606 1HG LYS 606 1.732 1.356 -8.274 172 HG3 LYS 606 2HG LYS 606 2.966 1.911 -7.140 173 HD2 LYS 606 1HD LYS 606 3.818 -0.355 -6.926 174 HD3 LYS 606 2HD LYS 606 2.548 -0.954 -7.991 175 HE2 LYS 606 1HE LYS 606 4.686 1.023 -8.769 176 HE3 LYS 606 2HE LYS 606 4.715 -0.699 -9.137 177 HZ1 LYS 606 3HZ LYS 606 2.655 -0.394 -10.402 178 HZ2 LYS 606 1HZ LYS 606 3.923 0.538 -11.023 179 HZ3 LYS 606 2HZ LYS 606 2.711 1.269 -10.099 180 H LEU 607 H LEU 607 0.742 1.436 -3.386 181 HA LEU 607 HA LEU 607 -1.497 -0.222 -2.937 182 HB2 LEU 607 1HB LEU 607 0.688 0.047 -1.581 183 HB3 LEU 607 2HB LEU 607 -0.125 1.390 -0.804 184 HG LEU 607 HG LEU 607 -1.361 -1.352 -0.834 185 HD11 LEU 607 1HD1 LEU 607 0.605 -0.260 1.174 186 HD12 LEU 607 2HD1 LEU 607 0.875 -1.617 0.081 187 HD13 LEU 607 3HD1 LEU 607 -0.335 -1.740 1.357 188 HD21 LEU 607 3HD2 LEU 607 -2.760 0.561 -0.184 189 HD22 LEU 607 1HD2 LEU 607 -1.593 0.977 1.069 190 HD23 LEU 607 2HD2 LEU 607 -2.482 -0.543 1.164 191 H VAL 608 H VAL 608 -0.919 3.230 -2.366 192 HA VAL 608 HA VAL 608 -3.412 3.839 -1.186 193 HB VAL 608 HB VAL 608 -1.542 5.601 -2.788 194 HG11 VAL 608 1HG1 VAL 608 -3.722 6.423 -0.876 195 HG12 VAL 608 2HG1 VAL 608 -3.825 6.527 -2.632 196 HG13 VAL 608 3HG1 VAL 608 -2.635 7.494 -1.759 197 HG21 VAL 608 3HG2 VAL 608 -0.494 4.608 -0.826 198 HG22 VAL 608 1HG2 VAL 608 -1.810 5.200 0.186 199 HG23 VAL 608 2HG2 VAL 608 -0.727 6.344 -0.608 200 H GLN 609 H GLN 609 -2.265 3.894 -4.524 201 HA GLN 609 HA GLN 609 -4.512 5.033 -5.750 202 HB2 GLN 609 1HB GLN 609 -2.210 4.645 -6.743 203 HB3 GLN 609 2HB GLN 609 -2.656 2.959 -6.942 204 HG2 GLN 609 1HG GLN 609 -2.931 4.055 -9.030 205 HG3 GLN 609 2HG GLN 609 -4.537 3.691 -8.400 206 HE21 GLN 609 1HE2 GLN 609 -2.205 6.186 -9.053 207 HE22 GLN 609 2HE2 GLN 609 -3.289 7.522 -8.918 208 H ALA 610 H ALA 610 -3.673 1.708 -4.978 209 HA ALA 610 HA ALA 610 -5.703 0.372 -6.337 210 HB1 ALA 610 3HB ALA 610 -3.742 -0.731 -5.365 211 HB2 ALA 610 1HB ALA 610 -5.248 -1.500 -4.865 212 HB3 ALA 610 2HB ALA 610 -4.386 -0.439 -3.750 213 H ILE 611 H ILE 611 -5.730 1.875 -3.128 214 HA ILE 611 HA ILE 611 -8.224 0.643 -2.433 215 HB ILE 611 HB ILE 611 -6.669 2.890 -1.056 216 HG12 ILE 611 1HG1 ILE 611 -7.031 0.149 0.163 217 HG13 ILE 611 2HG1 ILE 611 -5.804 0.398 -1.092 218 HG21 ILE 611 1HG2 ILE 611 -9.093 3.040 -0.569 219 HG22 ILE 611 2HG2 ILE 611 -8.099 2.714 0.849 220 HG23 ILE 611 3HG2 ILE 611 -9.028 1.411 0.115 221 HD11 ILE 611 3HD1 ILE 611 -4.770 2.125 0.286 222 HD12 ILE 611 1HD1 ILE 611 -4.892 0.594 1.153 223 HD13 ILE 611 2HD1 ILE 611 -6.022 1.900 1.507 224 H PHE 612 H PHE 612 -7.273 3.717 -3.871 225 HA PHE 612 HA PHE 612 -10.027 4.322 -4.409 226 HB2 PHE 612 1HB PHE 612 -9.525 5.144 -2.014 227 HB3 PHE 612 2HB PHE 612 -8.543 6.381 -2.788 228 HD1 PHE 612 HD2 PHE 612 -11.857 4.943 -3.713 229 HD2 PHE 612 HD1 PHE 612 -9.647 8.385 -2.548 230 HE1 PHE 612 HE2 PHE 612 -13.865 6.328 -4.017 231 HE2 PHE 612 HE1 PHE 612 -11.654 9.776 -2.842 232 HZ PHE 612 HZ PHE 612 -13.765 8.750 -3.580 233 HA PRO 613 HA PRO 613 -7.074 5.699 -7.572 234 HB2 PRO 613 1HB PRO 613 -8.671 5.206 -9.723 235 HB3 PRO 613 2HB PRO 613 -7.751 3.940 -8.898 236 HG2 PRO 613 1HG PRO 613 -10.656 4.587 -8.759 237 HG3 PRO 613 2HG PRO 613 -9.847 3.017 -8.637 238 HD2 PRO 613 1HD PRO 613 -10.853 4.492 -6.490 239 HD3 PRO 613 2HD PRO 613 -9.642 3.187 -6.382 240 H THR 614 H THR 614 -10.451 6.718 -7.294 241 HA THR 614 HA THR 614 -10.182 8.929 -9.080 242 HB THR 614 HB THR 614 -12.380 9.663 -8.061 243 HG1 THR 614 HG1 THR 614 -11.920 8.498 -6.029 244 HG21 THR 614 1HG2 THR 614 -13.644 7.806 -9.068 245 HG22 THR 614 2HG2 THR 614 -12.174 6.829 -9.101 246 HG23 THR 614 3HG2 THR 614 -12.285 8.291 -10.082 247 HA PRO 615 HA PRO 615 -8.259 11.549 -5.915 248 HB2 PRO 615 1HB PRO 615 -7.636 13.359 -8.102 249 HB3 PRO 615 2HB PRO 615 -6.527 12.374 -7.132 250 HG2 PRO 615 1HG PRO 615 -6.982 11.882 -9.772 251 HG3 PRO 615 2HG PRO 615 -6.573 10.594 -8.611 252 HD2 PRO 615 1HD PRO 615 -9.282 11.435 -9.649 253 HD3 PRO 615 2HD PRO 615 -8.612 9.792 -9.495 254 H ASP 616 H ASP 616 -10.627 11.847 -5.406 255 HA ASP 616 HA ASP 616 -12.071 14.020 -6.568 256 HB2 ASP 616 1HB ASP 616 -13.207 12.157 -5.367 257 HB3 ASP 616 2HB ASP 616 -12.442 12.673 -3.867 258 HA PRO 617 HA PRO 617 -9.750 17.342 -4.834 259 HB2 PRO 617 1HB PRO 617 -11.826 19.227 -4.895 260 HB3 PRO 617 2HB PRO 617 -10.713 18.864 -6.223 261 HG2 PRO 617 1HG PRO 617 -13.487 17.882 -5.740 262 HG3 PRO 617 2HG PRO 617 -12.696 18.320 -7.268 263 HD2 PRO 617 1HD PRO 617 -13.056 15.762 -6.578 264 HD3 PRO 617 2HD PRO 617 -11.581 16.282 -7.431 265 H ALA 618 H ALA 618 -12.852 16.376 -3.465 266 HA ALA 618 HA ALA 618 -12.384 17.924 -1.054 267 HB1 ALA 618 3HB ALA 618 -14.568 15.946 -1.702 268 HB2 ALA 618 1HB ALA 618 -14.673 17.698 -1.872 269 HB3 ALA 618 2HB ALA 618 -14.502 16.976 -0.272 270 H ALA 619 H ALA 619 -12.633 14.509 -1.978 271 HA ALA 619 HA ALA 619 -11.854 13.370 0.435 272 HB1 ALA 619 3HB ALA 619 -12.776 12.131 -1.495 273 HB2 ALA 619 1HB ALA 619 -11.328 11.381 -0.823 274 HB3 ALA 619 2HB ALA 619 -11.226 12.311 -2.316 275 H LEU 620 H LEU 620 -9.899 14.824 -2.079 276 HA LEU 620 HA LEU 620 -7.380 13.846 -1.219 277 HB2 LEU 620 1HB LEU 620 -8.320 15.369 -3.324 278 HB3 LEU 620 2HB LEU 620 -7.365 16.516 -2.411 279 HG LEU 620 HG LEU 620 -6.050 15.507 -4.197 280 HD11 LEU 620 1HD1 LEU 620 -4.136 14.741 -2.900 281 HD12 LEU 620 2HD1 LEU 620 -5.164 14.553 -1.481 282 HD13 LEU 620 3HD1 LEU 620 -4.885 16.157 -2.161 283 HD21 LEU 620 3HD2 LEU 620 -6.571 12.879 -2.812 284 HD22 LEU 620 1HD2 LEU 620 -5.503 13.133 -4.193 285 HD23 LEU 620 2HD2 LEU 620 -7.241 13.383 -4.363 286 H LYS 621 H LYS 621 -9.424 16.448 -0.186 287 HA LYS 621 HA LYS 621 -7.359 17.475 1.631 288 HB2 LYS 621 1HB LYS 621 -10.142 18.562 1.083 289 HB3 LYS 621 2HB LYS 621 -8.872 19.358 2.004 290 HG2 LYS 621 1HG LYS 621 -8.702 18.695 -0.931 291 HG3 LYS 621 2HG LYS 621 -9.155 20.266 -0.273 292 HD2 LYS 621 1HD LYS 621 -6.995 20.560 0.703 293 HD3 LYS 621 2HD LYS 621 -6.538 18.898 0.332 294 HE2 LYS 621 1HE LYS 621 -5.528 20.515 -1.224 295 HE3 LYS 621 2HE LYS 621 -6.592 19.374 -2.038 296 HZ1 LYS 621 3HZ LYS 621 -7.267 22.171 -1.305 297 HZ2 LYS 621 1HZ LYS 621 -8.324 21.076 -2.039 298 HZ3 LYS 621 2HZ LYS 621 -6.947 21.596 -2.861 299 H ASP 622 H ASP 622 -9.017 14.908 1.822 300 HA ASP 622 HA ASP 622 -10.500 15.400 4.300 301 HB2 ASP 622 1HB ASP 622 -11.797 14.287 2.637 302 HB3 ASP 622 2HB ASP 622 -10.506 13.138 2.303 303 H ARG 623 H ARG 623 -9.889 14.611 6.211 304 HA ARG 623 HA ARG 623 -7.289 13.679 6.660 305 HB2 ARG 623 1HB ARG 623 -9.737 13.696 8.415 306 HB3 ARG 623 2HB ARG 623 -8.156 13.193 8.987 307 HG2 ARG 623 1HG ARG 623 -8.812 15.916 7.873 308 HG3 ARG 623 2HG ARG 623 -8.678 15.509 9.584 309 HD2 ARG 623 1HD ARG 623 -6.343 14.811 9.196 310 HD3 ARG 623 2HD ARG 623 -6.494 15.328 7.518 311 HE ARG 623 HE ARG 623 -7.177 17.439 9.278 312 HH11 ARG 623 1HH1 ARG 623 -4.453 15.676 7.958 313 HH12 ARG 623 2HH1 ARG 623 -3.328 16.977 8.229 314 HH21 ARG 623 1HH2 ARG 623 -5.700 19.153 9.621 315 HH22 ARG 623 2HH2 ARG 623 -4.037 18.951 9.171 316 H ARG 624 H ARG 624 -10.344 11.917 6.377 317 HA ARG 624 HA ARG 624 -9.501 9.462 7.385 318 HB2 ARG 624 1HB ARG 624 -11.825 9.844 7.059 319 HB3 ARG 624 2HB ARG 624 -11.603 10.194 5.353 320 HG2 ARG 624 1HG ARG 624 -11.032 7.866 4.937 321 HG3 ARG 624 2HG ARG 624 -11.213 7.508 6.657 322 HD2 ARG 624 1HD ARG 624 -13.435 8.688 5.011 323 HD3 ARG 624 2HD ARG 624 -13.183 6.948 5.144 324 HE ARG 624 HE ARG 624 -13.323 7.526 7.691 325 HH11 ARG 624 1HH1 ARG 624 -15.242 8.948 5.119 326 HH12 ARG 624 2HH1 ARG 624 -16.646 9.156 6.115 327 HH21 ARG 624 1HH2 ARG 624 -15.171 7.804 8.991 328 HH22 ARG 624 2HH2 ARG 624 -16.603 8.514 8.312 329 H MET 625 H MET 625 -9.257 10.795 4.091 330 HA MET 625 HA MET 625 -8.216 8.510 2.865 331 HB2 MET 625 1HB MET 625 -8.862 10.258 1.414 332 HB3 MET 625 2HB MET 625 -7.837 11.432 2.228 333 HG2 MET 625 1HG MET 625 -5.832 10.272 1.410 334 HG3 MET 625 2HG MET 625 -6.860 9.087 0.603 335 HE1 MET 625 3HE MET 625 -8.481 11.089 -2.274 336 HE2 MET 625 1HE MET 625 -9.173 10.696 -0.701 337 HE3 MET 625 2HE MET 625 -8.202 9.501 -1.560 338 H GLU 626 H GLU 626 -6.600 10.975 4.791 339 HA GLU 626 HA GLU 626 -3.954 10.297 4.166 340 HB2 GLU 626 1HB GLU 626 -5.024 11.417 6.758 341 HB3 GLU 626 2HB GLU 626 -3.337 11.415 6.263 342 HG2 GLU 626 1HG GLU 626 -4.040 12.769 4.265 343 HG3 GLU 626 2HG GLU 626 -5.615 12.937 5.038 344 H ASN 627 H ASN 627 -6.200 8.964 6.522 345 HA ASN 627 HA ASN 627 -4.392 7.416 8.006 346 HB2 ASN 627 1HB ASN 627 -7.333 7.178 7.459 347 HB3 ASN 627 2HB ASN 627 -6.489 5.920 8.355 348 HD21 ASN 627 1HD2 ASN 627 -5.584 9.287 8.558 349 HD22 ASN 627 2HD2 ASN 627 -6.131 9.533 10.178 350 H LEU 628 H LEU 628 -6.173 6.670 5.029 351 HA LEU 628 HA LEU 628 -5.271 3.955 4.907 352 HB2 LEU 628 1HB LEU 628 -6.379 3.783 2.878 353 HB3 LEU 628 2HB LEU 628 -7.285 5.073 3.640 354 HG LEU 628 HG LEU 628 -5.685 6.625 2.243 355 HD11 LEU 628 1HD1 LEU 628 -5.560 4.024 0.733 356 HD12 LEU 628 2HD1 LEU 628 -4.202 4.945 1.380 357 HD13 LEU 628 3HD1 LEU 628 -5.163 5.598 0.052 358 HD21 LEU 628 3HD2 LEU 628 -8.156 6.353 2.040 359 HD22 LEU 628 1HD2 LEU 628 -7.867 5.054 0.888 360 HD23 LEU 628 2HD2 LEU 628 -7.340 6.696 0.514 361 H VAL 629 H VAL 629 -4.025 7.018 3.704 362 HA VAL 629 HA VAL 629 -1.942 5.944 2.102 363 HB VAL 629 HB VAL 629 -2.048 8.621 3.511 364 HG11 VAL 629 1HG1 VAL 629 -0.444 9.348 1.806 365 HG12 VAL 629 2HG1 VAL 629 -0.380 7.704 1.173 366 HG13 VAL 629 3HG1 VAL 629 0.206 8.045 2.799 367 HG21 VAL 629 3HG2 VAL 629 -2.899 7.863 0.718 368 HG22 VAL 629 1HG2 VAL 629 -2.856 9.502 1.369 369 HG23 VAL 629 2HG2 VAL 629 -3.968 8.312 2.046 370 H ALA 630 H ALA 630 -2.133 7.041 5.451 371 HA ALA 630 HA ALA 630 0.514 6.619 6.205 372 HB1 ALA 630 3HB ALA 630 -1.992 6.410 7.868 373 HB2 ALA 630 1HB ALA 630 -1.028 7.856 7.588 374 HB3 ALA 630 2HB ALA 630 -0.352 6.511 8.508 375 H TYR 631 H TYR 631 -2.214 4.348 6.111 376 HA TYR 631 HA TYR 631 -0.890 2.194 7.342 377 HB2 TYR 631 1HB TYR 631 -3.348 2.197 6.920 378 HB3 TYR 631 2HB TYR 631 -3.023 1.989 5.200 379 HD1 TYR 631 HD1 TYR 631 -2.041 0.415 8.447 380 HD2 TYR 631 HD2 TYR 631 -3.170 -0.174 4.388 381 HE1 TYR 631 HE1 TYR 631 -1.943 -2.018 8.781 382 HE2 TYR 631 HE2 TYR 631 -3.080 -2.609 4.717 383 HH TYR 631 HH TYR 631 -2.758 -4.043 7.831 384 H ALA 632 H ALA 632 -0.953 3.295 3.982 385 HA ALA 632 HA ALA 632 0.404 1.135 2.824 386 HB1 ALA 632 3HB ALA 632 -0.727 2.884 1.513 387 HB2 ALA 632 1HB ALA 632 0.941 2.646 0.994 388 HB3 ALA 632 2HB ALA 632 0.519 4.036 1.995 389 H LYS 633 H LYS 633 1.643 4.087 4.402 390 HA LYS 633 HA LYS 633 4.373 3.589 3.974 391 HB2 LYS 633 1HB LYS 633 2.749 5.390 5.587 392 HB3 LYS 633 2HB LYS 633 4.199 4.882 6.436 393 HG2 LYS 633 1HG LYS 633 4.664 6.925 5.289 394 HG3 LYS 633 2HG LYS 633 5.539 5.622 4.479 395 HD2 LYS 633 1HD LYS 633 4.599 6.949 2.761 396 HD3 LYS 633 2HD LYS 633 3.601 5.496 2.865 397 HE2 LYS 633 1HE LYS 633 2.239 7.517 2.626 398 HE3 LYS 633 2HE LYS 633 1.936 6.701 4.158 399 HZ1 LYS 633 3HZ LYS 633 3.687 9.072 3.799 400 HZ2 LYS 633 1HZ LYS 633 3.338 8.308 5.266 401 HZ3 LYS 633 2HZ LYS 633 2.114 9.106 4.416 402 H LYS 634 H LYS 634 2.185 2.603 6.577 403 HA LYS 634 HA LYS 634 4.088 1.401 8.243 404 HB2 LYS 634 1HB LYS 634 1.227 0.521 7.781 405 HB3 LYS 634 2HB LYS 634 2.220 0.124 9.178 406 HG2 LYS 634 1HG LYS 634 2.287 2.449 9.834 407 HG3 LYS 634 2HG LYS 634 1.383 2.908 8.392 408 HD2 LYS 634 1HD LYS 634 -0.480 1.445 9.209 409 HD3 LYS 634 2HD LYS 634 0.418 1.247 10.714 410 HE2 LYS 634 1HE LYS 634 -0.509 3.874 9.558 411 HE3 LYS 634 2HE LYS 634 -1.293 3.006 10.875 412 HZ1 LYS 634 3HZ LYS 634 0.704 3.265 12.196 413 HZ2 LYS 634 1HZ LYS 634 0.134 4.774 11.692 414 HZ3 LYS 634 2HZ LYS 634 1.475 4.079 10.932 415 H VAL 635 H VAL 635 2.133 0.019 5.624 416 HA VAL 635 HA VAL 635 3.233 -2.523 5.558 417 HB VAL 635 HB VAL 635 2.027 -0.798 3.417 418 HG11 VAL 635 1HG1 VAL 635 3.699 -2.124 2.254 419 HG12 VAL 635 2HG1 VAL 635 2.081 -2.724 1.888 420 HG13 VAL 635 3HG1 VAL 635 3.105 -3.588 3.035 421 HG21 VAL 635 3HG2 VAL 635 0.270 -2.486 3.495 422 HG22 VAL 635 1HG2 VAL 635 0.564 -1.809 5.097 423 HG23 VAL 635 2HG2 VAL 635 1.194 -3.404 4.684 424 H GLU 636 H GLU 636 4.329 0.336 3.696 425 HA GLU 636 HA GLU 636 6.441 -0.937 2.407 426 HB2 GLU 636 1HB GLU 636 7.245 1.150 1.735 427 HB3 GLU 636 2HB GLU 636 5.525 1.399 1.946 428 HG2 GLU 636 1HG GLU 636 6.292 3.290 2.922 429 HG3 GLU 636 2HG GLU 636 6.307 2.245 4.338 430 H GLY 637 H GLY 637 6.395 0.578 5.598 431 HA2 GLY 637 1HA GLY 637 9.152 0.264 6.150 432 HA3 GLY 637 2HA GLY 637 7.885 0.424 7.357 433 H ASP 638 H ASP 638 6.378 -1.804 6.978 434 HA ASP 638 HA ASP 638 7.870 -3.785 8.318 435 HB2 ASP 638 1HB ASP 638 5.437 -3.532 8.561 436 HB3 ASP 638 2HB ASP 638 5.213 -4.032 6.889 437 H MET 639 H MET 639 6.834 -3.479 4.957 438 HA MET 639 HA MET 639 7.813 -5.956 4.029 439 HB2 MET 639 1HB MET 639 7.640 -3.353 2.467 440 HB3 MET 639 2HB MET 639 7.848 -4.955 1.768 441 HG2 MET 639 1HG MET 639 5.443 -4.098 3.364 442 HG3 MET 639 2HG MET 639 5.531 -4.045 1.599 443 HE1 MET 639 3HE MET 639 3.183 -5.555 3.000 444 HE2 MET 639 1HE MET 639 3.157 -7.044 2.059 445 HE3 MET 639 2HE MET 639 3.455 -5.503 1.256 446 H TYR 640 H TYR 640 9.353 -2.853 4.487 447 HA TYR 640 HA TYR 640 11.628 -3.135 2.984 448 HB2 TYR 640 1HB TYR 640 10.891 -1.120 4.469 449 HB3 TYR 640 2HB TYR 640 11.894 -1.881 5.700 450 HD1 TYR 640 HD2 TYR 640 12.199 -1.203 2.042 451 HD2 TYR 640 HD1 TYR 640 13.996 -0.874 5.890 452 HE1 TYR 640 HE2 TYR 640 14.149 -0.125 1.035 453 HE2 TYR 640 HE1 TYR 640 15.959 0.203 4.880 454 HH TYR 640 HH TYR 640 15.973 1.361 1.669 455 H GLU 641 H GLU 641 11.055 -4.575 6.157 456 HA GLU 641 HA GLU 641 13.758 -5.468 6.526 457 HB2 GLU 641 1HB GLU 641 11.147 -6.097 7.825 458 HB3 GLU 641 2HB GLU 641 12.483 -7.235 8.071 459 HG2 GLU 641 1HG GLU 641 12.460 -5.629 9.918 460 HG3 GLU 641 2HG GLU 641 13.874 -5.281 8.913 461 H SER 642 H SER 642 10.813 -7.095 5.418 462 HA SER 642 HA SER 642 12.018 -9.551 4.724 463 HB2 SER 642 1HB SER 642 9.573 -9.212 5.086 464 HB3 SER 642 2HB SER 642 9.501 -8.329 3.564 465 HG SER 642 HG SER 642 10.061 -11.066 3.999 466 H ALA 643 H ALA 643 11.418 -6.606 2.969 467 HA ALA 643 HA ALA 643 12.025 -7.217 0.358 468 HB1 ALA 643 3HB ALA 643 12.441 -4.853 0.064 469 HB2 ALA 643 1HB ALA 643 12.607 -4.651 1.807 470 HB3 ALA 643 2HB ALA 643 11.053 -5.118 1.119 471 H ASN 644 H ASN 644 14.061 -8.380 2.232 472 HA ASN 644 HA ASN 644 16.537 -6.992 1.803 473 HB2 ASN 644 1HB ASN 644 15.838 -8.776 3.669 474 HB3 ASN 644 2HB ASN 644 16.430 -9.925 2.464 475 HD21 ASN 644 1HD2 ASN 644 17.695 -6.678 3.050 476 HD22 ASN 644 2HD2 ASN 644 19.254 -7.183 3.618 477 H SER 645 H SER 645 14.570 -8.572 -0.279 478 HA SER 645 HA SER 645 16.751 -8.901 -2.185 479 HB2 SER 645 1HB SER 645 14.487 -10.896 -1.906 480 HB3 SER 645 2HB SER 645 15.810 -10.966 -3.071 481 HG SER 645 HG SER 645 15.940 -11.251 -0.253 482 H ARG 646 H ARG 646 16.216 -8.162 -4.248 483 HA ARG 646 HA ARG 646 14.274 -6.186 -4.424 484 HB2 ARG 646 1HB ARG 646 15.601 -7.740 -6.645 485 HB3 ARG 646 2HB ARG 646 14.631 -6.302 -6.900 486 HG2 ARG 646 1HG ARG 646 17.088 -6.356 -5.174 487 HG3 ARG 646 2HG ARG 646 17.105 -5.945 -6.888 488 HD2 ARG 646 1HD ARG 646 15.564 -4.507 -4.727 489 HD3 ARG 646 2HD ARG 646 17.047 -3.945 -5.497 490 HE ARG 646 HE ARG 646 14.732 -4.452 -7.209 491 HH11 ARG 646 1HH1 ARG 646 16.852 -2.127 -5.663 492 HH12 ARG 646 2HH1 ARG 646 16.295 -0.794 -6.615 493 HH21 ARG 646 1HH2 ARG 646 13.995 -2.696 -8.463 494 HH22 ARG 646 2HH2 ARG 646 14.675 -1.122 -8.215 495 H ASP 647 H ASP 647 14.125 -9.462 -5.803 496 HA ASP 647 HA ASP 647 11.610 -9.213 -7.017 497 HB2 ASP 647 1HB ASP 647 13.182 -11.067 -7.493 498 HB3 ASP 647 2HB ASP 647 12.860 -11.734 -5.895 499 H GLU 648 H GLU 648 12.533 -10.237 -3.799 500 HA GLU 648 HA GLU 648 10.092 -11.183 -2.843 501 HB2 GLU 648 1HB GLU 648 12.424 -11.208 -1.742 502 HB3 GLU 648 2HB GLU 648 12.031 -9.597 -1.161 503 HG2 GLU 648 1HG GLU 648 11.542 -11.104 0.587 504 HG3 GLU 648 2HG GLU 648 9.992 -10.591 -0.081 505 H TYR 649 H TYR 649 11.456 -7.925 -2.790 506 HA TYR 649 HA TYR 649 9.499 -6.676 -1.258 507 HB2 TYR 649 1HB TYR 649 11.799 -5.800 -2.027 508 HB3 TYR 649 2HB TYR 649 10.969 -5.275 -3.485 509 HD1 TYR 649 HD2 TYR 649 8.671 -4.995 -0.852 510 HD2 TYR 649 HD1 TYR 649 12.136 -3.110 -2.449 511 HE1 TYR 649 HE2 TYR 649 8.061 -2.912 0.297 512 HE2 TYR 649 HE1 TYR 649 11.536 -1.023 -1.296 513 HH TYR 649 HH TYR 649 9.157 -0.875 1.123 514 H TYR 650 H TYR 650 9.687 -6.979 -4.830 515 HA TYR 650 HA TYR 650 7.441 -5.362 -5.335 516 HB2 TYR 650 1HB TYR 650 9.024 -7.351 -6.936 517 HB3 TYR 650 2HB TYR 650 7.621 -6.541 -7.591 518 HD1 TYR 650 HD1 TYR 650 11.055 -6.061 -6.393 519 HD2 TYR 650 HD2 TYR 650 7.689 -4.234 -8.242 520 HE1 TYR 650 HE1 TYR 650 12.457 -4.150 -7.045 521 HE2 TYR 650 HE2 TYR 650 9.081 -2.318 -8.899 522 HH TYR 650 HH TYR 650 11.108 -1.246 -8.366 523 H HIS 651 H HIS 651 7.961 -8.781 -4.819 524 HA HIS 651 HA HIS 651 5.455 -9.638 -5.869 525 HB2 HIS 651 1HB HIS 651 7.795 -10.874 -4.594 526 HB3 HIS 651 2HB HIS 651 6.270 -11.647 -4.200 527 HD1 HIS 651 HD1 HIS 651 8.872 -12.016 -6.512 528 HD2 HIS 651 HD2 HIS 651 4.725 -11.948 -6.860 529 HE1 HIS 651 HE1 HIS 651 8.353 -13.144 -8.696 530 HE2 HIS 651 HE2 HIS 651 5.857 -12.956 -8.956 531 H LEU 652 H LEU 652 6.682 -8.897 -2.641 532 HA LEU 652 HA LEU 652 4.472 -9.820 -1.181 533 HB2 LEU 652 1HB LEU 652 6.371 -7.558 -0.564 534 HB3 LEU 652 2HB LEU 652 5.244 -8.251 0.585 535 HG LEU 652 HG LEU 652 7.522 -9.740 -0.723 536 HD11 LEU 652 1HD1 LEU 652 8.325 -8.055 0.833 537 HD12 LEU 652 2HD1 LEU 652 8.544 -9.673 1.501 538 HD13 LEU 652 3HD1 LEU 652 7.224 -8.654 2.074 539 HD21 LEU 652 3HD2 LEU 652 5.654 -11.202 -0.177 540 HD22 LEU 652 1HD2 LEU 652 5.608 -10.556 1.463 541 HD23 LEU 652 2HD2 LEU 652 7.005 -11.485 0.919 542 H LEU 653 H LEU 653 5.211 -6.543 -2.357 543 HA LEU 653 HA LEU 653 2.843 -5.344 -1.452 544 HB2 LEU 653 1HB LEU 653 4.736 -4.643 -3.684 545 HB3 LEU 653 2HB LEU 653 3.336 -3.654 -3.309 546 HG LEU 653 HG LEU 653 5.073 -4.258 -1.005 547 HD11 LEU 653 1HD1 LEU 653 6.033 -2.668 -3.362 548 HD12 LEU 653 2HD1 LEU 653 6.852 -3.979 -2.516 549 HD13 LEU 653 3HD1 LEU 653 6.646 -2.417 -1.730 550 HD21 LEU 653 3HD2 LEU 653 4.653 -1.922 -0.514 551 HD22 LEU 653 1HD2 LEU 653 3.137 -2.730 -0.918 552 HD23 LEU 653 2HD2 LEU 653 3.930 -1.689 -2.106 553 H ALA 654 H ALA 654 3.630 -6.817 -4.596 554 HA ALA 654 HA ALA 654 1.232 -6.275 -5.913 555 HB1 ALA 654 3HB ALA 654 1.801 -8.119 -7.390 556 HB2 ALA 654 1HB ALA 654 2.983 -8.709 -6.222 557 HB3 ALA 654 2HB ALA 654 3.232 -7.157 -7.020 558 H GLU 655 H GLU 655 2.084 -8.998 -3.810 559 HA GLU 655 HA GLU 655 -0.313 -10.440 -4.164 560 HB2 GLU 655 1HB GLU 655 1.398 -11.692 -3.135 561 HB3 GLU 655 2HB GLU 655 1.696 -10.442 -1.922 562 HG2 GLU 655 1HG GLU 655 -0.379 -10.971 -0.822 563 HG3 GLU 655 2HG GLU 655 -0.809 -12.104 -2.099 564 H LYS 656 H LYS 656 0.575 -7.965 -1.799 565 HA LYS 656 HA LYS 656 -1.768 -8.219 -0.230 566 HB2 LYS 656 1HB LYS 656 -0.111 -5.712 -0.478 567 HB3 LYS 656 2HB LYS 656 -1.090 -6.226 0.888 568 HG2 LYS 656 1HG LYS 656 1.523 -7.357 -0.053 569 HG3 LYS 656 2HG LYS 656 1.150 -6.600 1.494 570 HD2 LYS 656 1HD LYS 656 -0.174 -8.471 2.171 571 HD3 LYS 656 2HD LYS 656 -0.094 -9.181 0.557 572 HE2 LYS 656 1HE LYS 656 2.340 -9.441 0.814 573 HE3 LYS 656 2HE LYS 656 2.226 -8.778 2.443 574 HZ1 LYS 656 3HZ LYS 656 0.680 -10.644 2.954 575 HZ2 LYS 656 1HZ LYS 656 2.274 -11.117 2.633 576 HZ3 LYS 656 2HZ LYS 656 1.080 -11.329 1.450 577 H ILE 657 H ILE 657 -0.924 -6.125 -2.950 578 HA ILE 657 HA ILE 657 -3.236 -4.524 -2.900 579 HB ILE 657 HB ILE 657 -1.488 -5.328 -5.249 580 HG12 ILE 657 1HG1 ILE 657 -1.553 -2.811 -3.562 581 HG13 ILE 657 2HG1 ILE 657 -0.352 -4.091 -3.428 582 HG21 ILE 657 1HG2 ILE 657 -2.451 -3.412 -6.424 583 HG22 ILE 657 2HG2 ILE 657 -3.547 -3.124 -5.073 584 HG23 ILE 657 3HG2 ILE 657 -3.691 -4.601 -6.024 585 HD11 ILE 657 3HD1 ILE 657 0.397 -3.623 -5.700 586 HD12 ILE 657 1HD1 ILE 657 0.504 -2.194 -4.673 587 HD13 ILE 657 2HD1 ILE 657 -0.812 -2.346 -5.836 588 H TYR 658 H TYR 658 -2.547 -7.631 -4.461 589 HA TYR 658 HA TYR 658 -5.026 -7.866 -5.800 590 HB2 TYR 658 1HB TYR 658 -2.857 -9.312 -6.085 591 HB3 TYR 658 2HB TYR 658 -3.568 -10.303 -4.813 592 HD1 TYR 658 HD1 TYR 658 -4.783 -8.632 -7.938 593 HD2 TYR 658 HD2 TYR 658 -4.652 -12.214 -5.627 594 HE1 TYR 658 HE1 TYR 658 -6.118 -9.783 -9.642 595 HE2 TYR 658 HE2 TYR 658 -5.996 -13.359 -7.326 596 HH TYR 658 HH TYR 658 -7.587 -12.794 -9.114 597 H LYS 659 H LYS 659 -3.979 -8.712 -2.528 598 HA LYS 659 HA LYS 659 -6.228 -10.168 -1.715 599 HB2 LYS 659 1HB LYS 659 -4.426 -8.320 -0.142 600 HB3 LYS 659 2HB LYS 659 -5.670 -9.314 0.598 601 HG2 LYS 659 1HG LYS 659 -3.364 -10.379 -1.015 602 HG3 LYS 659 2HG LYS 659 -3.405 -10.283 0.746 603 HD2 LYS 659 1HD LYS 659 -5.414 -11.735 0.736 604 HD3 LYS 659 2HD LYS 659 -5.256 -11.889 -1.016 605 HE2 LYS 659 1HE LYS 659 -3.020 -12.861 -0.711 606 HE3 LYS 659 2HE LYS 659 -3.216 -12.735 1.036 607 HZ1 LYS 659 3HZ LYS 659 -4.903 -14.368 -0.784 608 HZ2 LYS 659 1HZ LYS 659 -5.101 -14.245 0.892 609 HZ3 LYS 659 2HZ LYS 659 -3.710 -14.960 0.255 610 H ILE 660 H ILE 660 -5.592 -6.680 -1.550 611 HA ILE 660 HA ILE 660 -8.106 -5.956 -0.517 612 HB ILE 660 HB ILE 660 -5.795 -4.538 -1.547 613 HG12 ILE 660 1HG1 ILE 660 -7.989 -3.925 0.427 614 HG13 ILE 660 2HG1 ILE 660 -6.380 -4.543 0.774 615 HG21 ILE 660 1HG2 ILE 660 -7.016 -2.420 -2.077 616 HG22 ILE 660 2HG2 ILE 660 -8.508 -3.357 -2.156 617 HG23 ILE 660 3HG2 ILE 660 -7.203 -3.677 -3.297 618 HD11 ILE 660 3HD1 ILE 660 -6.451 -2.231 1.347 619 HD12 ILE 660 1HD1 ILE 660 -7.100 -1.813 -0.241 620 HD13 ILE 660 2HD1 ILE 660 -5.450 -2.413 -0.097 621 H GLN 661 H GLN 661 -6.997 -6.529 -3.789 622 HA GLN 661 HA GLN 661 -9.242 -5.325 -5.091 623 HB2 GLN 661 1HB GLN 661 -7.279 -7.395 -6.122 624 HB3 GLN 661 2HB GLN 661 -8.534 -6.654 -7.098 625 HG2 GLN 661 1HG GLN 661 -7.520 -4.432 -6.674 626 HG3 GLN 661 2HG GLN 661 -6.231 -5.222 -5.772 627 HE21 GLN 661 1HE2 GLN 661 -6.093 -3.594 -8.159 628 HE22 GLN 661 2HE2 GLN 661 -5.321 -4.569 -9.363 629 H LYS 662 H LYS 662 -8.439 -8.556 -3.999 630 HA LYS 662 HA LYS 662 -10.759 -9.858 -4.931 631 HB2 LYS 662 1HB LYS 662 -8.862 -11.167 -4.292 632 HB3 LYS 662 2HB LYS 662 -8.829 -10.453 -2.688 633 HG2 LYS 662 1HG LYS 662 -10.886 -11.589 -2.106 634 HG3 LYS 662 2HG LYS 662 -11.009 -12.246 -3.741 635 HD2 LYS 662 1HD LYS 662 -9.114 -13.618 -3.441 636 HD3 LYS 662 2HD LYS 662 -8.622 -12.753 -1.985 637 HE2 LYS 662 1HE LYS 662 -11.124 -14.416 -2.247 638 HE3 LYS 662 2HE LYS 662 -9.619 -14.968 -1.512 639 HZ1 LYS 662 3HZ LYS 662 -11.390 -12.778 -0.556 640 HZ2 LYS 662 1HZ LYS 662 -9.844 -13.079 0.071 641 HZ3 LYS 662 2HZ LYS 662 -11.054 -14.246 0.216 642 H GLU 663 H GLU 663 -9.959 -8.184 -1.916 643 HA GLU 663 HA GLU 663 -12.275 -8.748 -0.463 644 HB2 GLU 663 1HB GLU 663 -10.528 -6.289 -0.458 645 HB3 GLU 663 2HB GLU 663 -11.831 -6.545 0.684 646 HG2 GLU 663 1HG GLU 663 -9.435 -8.339 0.374 647 HG3 GLU 663 2HG GLU 663 -9.635 -7.102 1.613 648 H LEU 664 H LEU 664 -11.582 -6.105 -2.717 649 HA LEU 664 HA LEU 664 -13.964 -4.680 -2.421 650 HB2 LEU 664 1HB LEU 664 -12.242 -4.973 -4.883 651 HB3 LEU 664 2HB LEU 664 -13.469 -3.744 -4.654 652 HG LEU 664 HG LEU 664 -10.977 -4.033 -2.974 653 HD11 LEU 664 1HD1 LEU 664 -10.461 -3.332 -5.252 654 HD12 LEU 664 2HD1 LEU 664 -10.225 -2.007 -4.113 655 HD13 LEU 664 3HD1 LEU 664 -11.661 -2.045 -5.136 656 HD21 LEU 664 3HD2 LEU 664 -11.611 -1.827 -2.104 657 HD22 LEU 664 1HD2 LEU 664 -12.810 -3.062 -1.721 658 HD23 LEU 664 2HD2 LEU 664 -13.115 -1.910 -3.020 659 H GLU 665 H GLU 665 -13.163 -7.355 -4.595 660 HA GLU 665 HA GLU 665 -15.584 -7.356 -6.044 661 HB2 GLU 665 1HB GLU 665 -13.526 -8.559 -6.750 662 HB3 GLU 665 2HB GLU 665 -13.764 -9.696 -5.431 663 HG2 GLU 665 1HG GLU 665 -15.932 -10.338 -6.431 664 HG3 GLU 665 2HG GLU 665 -15.579 -9.275 -7.792 665 H GLU 666 H GLU 666 -14.524 -9.093 -3.157 666 HA GLU 666 HA GLU 666 -16.877 -10.596 -2.801 667 HB2 GLU 666 1HB GLU 666 -14.758 -9.783 -0.816 668 HB3 GLU 666 2HB GLU 666 -16.032 -10.953 -0.491 669 HG2 GLU 666 1HG GLU 666 -15.196 -12.305 -2.398 670 HG3 GLU 666 2HG GLU 666 -13.851 -11.177 -2.548 671 H LYS 667 H LYS 667 -15.920 -7.406 -1.603 672 HA LYS 667 HA LYS 667 -18.145 -6.994 0.104 673 HB2 LYS 667 1HB LYS 667 -16.644 -4.897 -1.510 674 HB3 LYS 667 2HB LYS 667 -17.664 -4.592 -0.114 675 HG2 LYS 667 1HG LYS 667 -14.973 -5.980 -0.150 676 HG3 LYS 667 2HG LYS 667 -15.389 -4.420 0.560 677 HD2 LYS 667 1HD LYS 667 -16.658 -5.401 2.284 678 HD3 LYS 667 2HD LYS 667 -16.699 -6.966 1.471 679 HE2 LYS 667 1HE LYS 667 -14.176 -5.672 2.491 680 HE3 LYS 667 2HE LYS 667 -15.130 -6.827 3.423 681 HZ1 LYS 667 3HZ LYS 667 -14.742 -8.495 1.767 682 HZ2 LYS 667 1HZ LYS 667 -13.242 -7.850 2.228 683 HZ3 LYS 667 2HZ LYS 667 -13.954 -7.394 0.757 684 H ARG 668 H ARG 668 -17.673 -6.394 -3.368 685 HA ARG 668 HA ARG 668 -20.224 -5.315 -3.786 686 HB2 ARG 668 1HB ARG 668 -18.272 -5.018 -5.316 687 HB3 ARG 668 2HB ARG 668 -18.457 -6.700 -5.784 688 HG2 ARG 668 1HG ARG 668 -19.440 -5.329 -7.470 689 HG3 ARG 668 2HG ARG 668 -20.735 -6.163 -6.610 690 HD2 ARG 668 1HD ARG 668 -21.252 -4.193 -5.351 691 HD3 ARG 668 2HD ARG 668 -19.839 -3.359 -5.992 692 HE ARG 668 HE ARG 668 -21.685 -4.226 -8.016 693 HH11 ARG 668 1HH1 ARG 668 -20.887 -1.685 -5.756 694 HH12 ARG 668 2HH1 ARG 668 -21.711 -0.449 -6.649 695 HH21 ARG 668 1HH2 ARG 668 -22.775 -2.601 -9.206 696 HH22 ARG 668 2HH2 ARG 668 -22.786 -0.972 -8.613 697 H ARG 669 H ARG 669 -18.971 -8.388 -3.558 698 HA ARG 669 HA ARG 669 -21.072 -9.892 -4.801 699 HB2 ARG 669 1HB ARG 669 -18.715 -10.680 -4.536 700 HB3 ARG 669 2HB ARG 669 -18.985 -10.760 -2.801 701 HG2 ARG 669 1HG ARG 669 -20.773 -12.432 -3.217 702 HG3 ARG 669 2HG ARG 669 -20.324 -12.419 -4.924 703 HD2 ARG 669 1HD ARG 669 -18.516 -13.144 -2.622 704 HD3 ARG 669 2HD ARG 669 -19.276 -14.281 -3.730 705 HE ARG 669 HE ARG 669 -17.818 -12.503 -5.285 706 HH11 ARG 669 1HH1 ARG 669 -17.207 -14.890 -2.803 707 HH12 ARG 669 2HH1 ARG 669 -15.615 -15.273 -3.376 708 HH21 ARG 669 1HH2 ARG 669 -15.703 -13.003 -6.056 709 HH22 ARG 669 2HH2 ARG 669 -14.768 -14.209 -5.226 710 H SER 670 H SER 670 -20.454 -8.527 -1.731 711 HA SER 670 HA SER 670 -22.571 -10.079 -0.429 712 HB2 SER 670 1HB SER 670 -20.295 -9.804 0.667 713 HB3 SER 670 2HB SER 670 -20.672 -8.094 0.844 714 HG SER 670 HG SER 670 -21.163 -9.615 2.663 715 H ARG 671 H ARG 671 -22.147 -7.349 -2.183 716 HA ARG 671 HA ARG 671 -23.130 -5.310 -2.379 717 HB2 ARG 671 1HB ARG 671 -25.623 -5.474 -2.574 718 HB3 ARG 671 2HB ARG 671 -24.708 -6.603 -3.554 719 HG2 ARG 671 1HG ARG 671 -25.184 -8.375 -1.915 720 HG3 ARG 671 2HG ARG 671 -26.150 -7.225 -0.985 721 HD2 ARG 671 1HD ARG 671 -27.644 -6.916 -2.863 722 HD3 ARG 671 2HD ARG 671 -26.651 -7.978 -3.858 723 HE ARG 671 HE ARG 671 -27.516 -9.340 -1.536 724 HH11 ARG 671 1HH1 ARG 671 -28.664 -8.147 -4.616 725 HH12 ARG 671 2HH1 ARG 671 -29.927 -9.327 -4.750 726 HH21 ARG 671 1HH2 ARG 671 -29.171 -10.906 -1.707 727 HH22 ARG 671 2HH2 ARG 671 -30.213 -10.906 -3.098 728 H LEU 672 H LEU 672 -22.395 -4.139 -0.728 729 HA LEU 672 HA LEU 672 -23.570 -4.326 1.906 730 HB2 LEU 672 1HB LEU 672 -21.500 -2.390 0.835 731 HB3 LEU 672 2HB LEU 672 -21.897 -2.617 2.527 732 HG LEU 672 HG LEU 672 -20.555 -4.615 0.701 733 HD11 LEU 672 1HD1 LEU 672 -18.658 -4.334 2.199 734 HD12 LEU 672 2HD1 LEU 672 -19.560 -3.136 3.128 735 HD13 LEU 672 3HD1 LEU 672 -19.113 -2.801 1.455 736 HD21 LEU 672 3HD2 LEU 672 -20.365 -6.035 2.685 737 HD22 LEU 672 1HD2 LEU 672 -22.047 -5.771 2.228 738 HD23 LEU 672 2HD2 LEU 672 -21.355 -4.893 3.593 739 H1 ASP 840 1H ASP 840 5.321 -13.796 6.766 740 HA ASP 840 HA ASP 840 3.224 -12.984 6.494 741 HB2 ASP 840 1HB ASP 840 3.582 -13.013 9.483 742 HB3 ASP 840 2HB ASP 840 2.047 -12.536 8.750 743 H ALA 841 H ALA 841 4.416 -11.145 5.482 744 HA ALA 841 HA ALA 841 4.352 -8.631 6.897 745 HB1 ALA 841 3HB ALA 841 6.114 -9.099 5.256 746 HB2 ALA 841 1HB ALA 841 5.172 -7.678 4.806 747 HB3 ALA 841 2HB ALA 841 4.897 -9.214 3.986 748 H GLY 842 H GLY 842 1.978 -9.116 7.327 749 HA2 GLY 842 1HA GLY 842 -0.127 -8.196 7.049 750 HA3 GLY 842 2HA GLY 842 0.387 -7.538 5.502 751 H ASN 843 H ASN 843 -1.380 -9.980 7.056 752 HA ASN 843 HA ASN 843 -1.380 -11.874 4.908 753 HB2 ASN 843 1HB ASN 843 -3.279 -11.498 7.236 754 HB3 ASN 843 2HB ASN 843 -3.355 -12.845 6.105 755 HD21 ASN 843 1HD2 ASN 843 -0.512 -13.175 5.851 756 HD22 ASN 843 2HD2 ASN 843 0.060 -13.836 7.343 757 H ILE 844 H ILE 844 -3.973 -9.834 6.180 758 HA ILE 844 HA ILE 844 -4.738 -9.103 3.451 759 HB ILE 844 HB ILE 844 -6.767 -10.013 5.522 760 HG12 ILE 844 1HG1 ILE 844 -5.830 -11.399 2.992 761 HG13 ILE 844 2HG1 ILE 844 -5.510 -11.930 4.639 762 HG21 ILE 844 1HG2 ILE 844 -7.103 -9.215 2.630 763 HG22 ILE 844 2HG2 ILE 844 -7.601 -8.268 4.031 764 HG23 ILE 844 3HG2 ILE 844 -8.383 -9.811 3.685 765 HD11 ILE 844 3HD1 ILE 844 -8.213 -11.759 3.336 766 HD12 ILE 844 1HD1 ILE 844 -7.888 -12.316 4.976 767 HD13 ILE 844 2HD1 ILE 844 -7.275 -13.228 3.597 768 H LEU 845 H LEU 845 -5.804 -7.055 3.352 769 HA LEU 845 HA LEU 845 -4.836 -5.327 5.437 770 HB2 LEU 845 1HB LEU 845 -6.229 -4.741 2.826 771 HB3 LEU 845 2HB LEU 845 -5.691 -3.499 3.939 772 HG LEU 845 HG LEU 845 -3.358 -4.698 3.667 773 HD11 LEU 845 1HD1 LEU 845 -2.996 -5.588 1.440 774 HD12 LEU 845 2HD1 LEU 845 -4.710 -5.408 1.065 775 HD13 LEU 845 3HD1 LEU 845 -4.190 -6.552 2.308 776 HD21 LEU 845 3HD2 LEU 845 -3.964 -2.366 3.034 777 HD22 LEU 845 1HD2 LEU 845 -4.430 -2.974 1.449 778 HD23 LEU 845 2HD2 LEU 845 -2.759 -3.113 1.988 779 HA PRO 846 HA PRO 846 -8.186 -5.184 8.192 780 HB2 PRO 846 1HB PRO 846 -7.714 -2.234 8.005 781 HB3 PRO 846 2HB PRO 846 -7.930 -3.249 9.436 782 HG2 PRO 846 1HG PRO 846 -5.504 -2.475 8.699 783 HG3 PRO 846 2HG PRO 846 -5.784 -4.118 9.307 784 HD2 PRO 846 1HD PRO 846 -5.261 -3.189 6.536 785 HD3 PRO 846 2HD PRO 846 -4.865 -4.736 7.307 786 H SER 847 H SER 847 -10.270 -5.156 8.101 787 HA SER 847 HA SER 847 -11.812 -4.488 5.902 788 HB2 SER 847 1HB SER 847 -13.725 -4.612 7.623 789 HB3 SER 847 2HB SER 847 -12.714 -6.041 7.412 790 HG SER 847 HG SER 847 -12.635 -4.126 9.506 791 H ASP 848 H ASP 848 -10.990 -2.615 8.748 792 HA ASP 848 HA ASP 848 -12.841 -0.554 8.627 793 HB2 ASP 848 1HB ASP 848 -11.200 -0.944 10.471 794 HB3 ASP 848 2HB ASP 848 -9.937 -0.278 9.441 795 H ILE 849 H ILE 849 -9.628 -0.694 7.055 796 HA ILE 849 HA ILE 849 -9.839 1.838 5.805 797 HB ILE 849 HB ILE 849 -8.183 -0.505 4.820 798 HG12 ILE 849 1HG1 ILE 849 -7.697 0.034 7.189 799 HG13 ILE 849 2HG1 ILE 849 -6.347 0.430 6.133 800 HG21 ILE 849 1HG2 ILE 849 -7.934 2.469 4.370 801 HG22 ILE 849 2HG2 ILE 849 -8.437 1.271 3.177 802 HG23 ILE 849 3HG2 ILE 849 -6.790 1.251 3.808 803 HD11 ILE 849 3HD1 ILE 849 -6.978 2.792 6.215 804 HD12 ILE 849 1HD1 ILE 849 -6.679 2.137 7.824 805 HD13 ILE 849 2HD1 ILE 849 -8.334 2.389 7.271 806 H MET 850 H MET 850 -10.674 -1.424 4.781 807 HA MET 850 HA MET 850 -11.407 -0.924 2.147 808 HB2 MET 850 1HB MET 850 -12.538 -2.909 4.124 809 HB3 MET 850 2HB MET 850 -12.940 -2.912 2.413 810 HG2 MET 850 1HG MET 850 -10.086 -3.052 3.274 811 HG3 MET 850 2HG MET 850 -11.097 -4.491 3.342 812 HE1 MET 850 3HE MET 850 -11.036 -1.587 0.382 813 HE2 MET 850 1HE MET 850 -9.646 -2.300 -0.430 814 HE3 MET 850 2HE MET 850 -9.501 -1.745 1.240 815 H ASP 851 H ASP 851 -13.243 -0.511 5.124 816 HA ASP 851 HA ASP 851 -15.740 0.086 4.054 817 HB2 ASP 851 1HB ASP 851 -14.343 1.028 6.569 818 HB3 ASP 851 2HB ASP 851 -15.953 1.612 6.148 819 H PHE 852 H PHE 852 -12.883 2.144 4.348 820 HA PHE 852 HA PHE 852 -14.085 4.635 4.020 821 HB2 PHE 852 1HB PHE 852 -11.356 3.724 3.083 822 HB3 PHE 852 2HB PHE 852 -11.883 5.399 3.128 823 HD1 PHE 852 HD1 PHE 852 -13.421 4.227 5.904 824 HD2 PHE 852 HD2 PHE 852 -9.478 4.883 4.441 825 HE1 PHE 852 HE1 PHE 852 -12.597 4.422 8.211 826 HE2 PHE 852 HE2 PHE 852 -8.649 5.070 6.747 827 HZ PHE 852 HZ PHE 852 -10.210 4.840 8.637 828 H VAL 853 H VAL 853 -12.760 2.490 1.480 829 HA VAL 853 HA VAL 853 -13.498 4.224 -0.633 830 HB VAL 853 HB VAL 853 -11.739 2.645 -1.032 831 HG11 VAL 853 1HG1 VAL 853 -12.115 0.239 -1.190 832 HG12 VAL 853 2HG1 VAL 853 -13.781 0.463 -0.660 833 HG13 VAL 853 3HG1 VAL 853 -12.450 0.841 0.434 834 HG21 VAL 853 3HG2 VAL 853 -12.477 1.651 -3.151 835 HG22 VAL 853 1HG2 VAL 853 -13.044 3.311 -2.973 836 HG23 VAL 853 2HG2 VAL 853 -14.154 1.967 -2.709 837 H LEU 854 H LEU 854 -15.121 1.461 0.859 838 HA LEU 854 HA LEU 854 -17.301 1.349 -0.933 839 HB2 LEU 854 1HB LEU 854 -16.832 0.371 1.849 840 HB3 LEU 854 2HB LEU 854 -18.466 0.369 1.226 841 HG LEU 854 HG LEU 854 -17.240 -1.818 1.055 842 HD11 LEU 854 1HD1 LEU 854 -18.062 -2.380 -1.137 843 HD12 LEU 854 2HD1 LEU 854 -18.123 -0.684 -1.598 844 HD13 LEU 854 3HD1 LEU 854 -19.205 -1.295 -0.346 845 HD21 LEU 854 3HD2 LEU 854 -15.668 -0.378 -1.071 846 HD22 LEU 854 1HD2 LEU 854 -15.624 -2.111 -0.747 847 HD23 LEU 854 2HD2 LEU 854 -15.039 -0.971 0.465 848 H LYS 855 H LYS 855 -16.718 3.227 1.991 849 HA LYS 855 HA LYS 855 -19.423 4.180 2.204 850 HB2 LYS 855 1HB LYS 855 -18.040 4.056 4.186 851 HB3 LYS 855 2HB LYS 855 -16.870 5.163 3.489 852 HG2 LYS 855 1HG LYS 855 -18.487 6.977 3.588 853 HG3 LYS 855 2HG LYS 855 -19.722 5.889 4.233 854 HD2 LYS 855 1HD LYS 855 -17.075 6.473 5.566 855 HD3 LYS 855 2HD LYS 855 -18.597 7.269 5.963 856 HE2 LYS 855 1HE LYS 855 -18.081 4.301 6.158 857 HE3 LYS 855 2HE LYS 855 -18.056 5.429 7.512 858 HZ1 LYS 855 3HZ LYS 855 -20.407 4.827 5.800 859 HZ2 LYS 855 1HZ LYS 855 -20.383 5.939 7.075 860 HZ3 LYS 855 2HZ LYS 855 -20.168 4.295 7.385 861 H ASN 856 H ASN 856 -16.669 5.193 0.381 862 HA ASN 856 HA ASN 856 -17.869 7.802 -0.186 863 HB2 ASN 856 1HB ASN 856 -15.230 6.532 -0.898 864 HB3 ASN 856 2HB ASN 856 -15.805 7.956 -1.758 865 HD21 ASN 856 1HD2 ASN 856 -14.577 6.713 1.236 866 HD22 ASN 856 2HD2 ASN 856 -14.289 8.252 1.984 867 H THR 857 H THR 857 -18.491 8.412 -2.305 868 HA THR 857 HA THR 857 -19.101 6.122 -4.035 869 HB THR 857 HB THR 857 -20.937 8.491 -3.756 870 HG1 THR 857 HG1 THR 857 -21.226 6.021 -2.366 871 HG21 THR 857 1HG2 THR 857 -22.603 6.918 -4.617 872 HG22 THR 857 2HG2 THR 857 -21.388 5.641 -4.651 873 HG23 THR 857 3HG2 THR 857 -21.229 7.036 -5.715 874 HA PRO 858 HA PRO 858 -16.922 9.228 -6.644 875 HB2 PRO 858 1HB PRO 858 -15.486 7.429 -8.067 876 HB3 PRO 858 2HB PRO 858 -14.959 8.033 -6.492 877 HG2 PRO 858 1HG PRO 858 -16.282 5.446 -7.188 878 HG3 PRO 858 2HG PRO 858 -14.970 5.762 -6.039 879 HD2 PRO 858 1HD PRO 858 -17.584 5.418 -5.310 880 HD3 PRO 858 2HD PRO 858 -16.417 6.367 -4.371 Start of MODEL 8 1 H1 GLY 586 1H GLY 586 35.954 3.479 5.295 2 HA2 GLY 586 1HA GLY 586 34.394 2.582 3.859 3 HA3 GLY 586 2HA GLY 586 35.651 1.545 3.207 4 H VAL 587 H VAL 587 32.788 1.181 4.170 5 HA VAL 587 HA VAL 587 33.315 -1.390 5.404 6 HB VAL 587 HB VAL 587 31.417 -1.108 7.019 7 HG11 VAL 587 1HG1 VAL 587 33.721 -1.026 7.783 8 HG12 VAL 587 2HG1 VAL 587 32.719 0.094 8.705 9 HG13 VAL 587 3HG1 VAL 587 33.788 0.703 7.442 10 HG21 VAL 587 3HG2 VAL 587 30.730 1.132 7.658 11 HG22 VAL 587 1HG2 VAL 587 30.367 0.823 5.963 12 HG23 VAL 587 2HG2 VAL 587 31.754 1.821 6.398 13 H ARG 588 H ARG 588 31.711 -2.933 4.916 14 HA ARG 588 HA ARG 588 30.520 -2.520 2.410 15 HB2 ARG 588 1HB ARG 588 29.854 -4.816 2.513 16 HB3 ARG 588 2HB ARG 588 31.431 -4.687 3.275 17 HG2 ARG 588 1HG ARG 588 30.398 -6.060 4.776 18 HG3 ARG 588 2HG ARG 588 29.956 -4.494 5.471 19 HD2 ARG 588 1HD ARG 588 27.807 -4.589 4.300 20 HD3 ARG 588 2HD ARG 588 28.251 -6.144 3.604 21 HE ARG 588 HE ARG 588 28.437 -6.377 6.377 22 HH11 ARG 588 1HH1 ARG 588 25.990 -5.821 3.936 23 HH12 ARG 588 2HH1 ARG 588 24.715 -6.549 4.864 24 HH21 ARG 588 1HH2 ARG 588 26.755 -7.360 7.597 25 HH22 ARG 588 2HH2 ARG 588 25.150 -7.422 6.941 26 H LYS 589 H LYS 589 29.285 -1.256 5.153 27 HA LYS 589 HA LYS 589 26.728 -2.116 5.511 28 HB2 LYS 589 1HB LYS 589 26.299 -0.170 6.662 29 HB3 LYS 589 2HB LYS 589 28.053 -0.070 6.595 30 HG2 LYS 589 1HG LYS 589 26.334 1.279 4.538 31 HG3 LYS 589 2HG LYS 589 26.690 2.034 6.091 32 HD2 LYS 589 1HD LYS 589 29.033 2.022 5.636 33 HD3 LYS 589 2HD LYS 589 28.806 1.038 4.188 34 HE2 LYS 589 1HE LYS 589 27.713 3.822 4.577 35 HE3 LYS 589 2HE LYS 589 29.204 3.444 3.717 36 HZ1 LYS 589 3HZ LYS 589 27.338 3.735 2.205 37 HZ2 LYS 589 1HZ LYS 589 26.498 2.480 2.964 38 HZ3 LYS 589 2HZ LYS 589 27.930 2.155 2.133 39 H GLY 590 H GLY 590 25.088 -2.456 4.258 40 HA2 GLY 590 1HA GLY 590 23.714 -0.719 2.698 41 HA3 GLY 590 2HA GLY 590 24.938 -1.382 1.620 42 H TRP 591 H TRP 591 22.219 -2.168 3.677 43 HA TRP 591 HA TRP 591 22.113 -4.928 2.696 44 HB2 TRP 591 1HB TRP 591 19.765 -4.080 4.180 45 HB3 TRP 591 2HB TRP 591 20.903 -5.364 4.569 46 HD1 TRP 591 HD1 TRP 591 22.608 -4.880 6.524 47 HE1 TRP 591 HE1 TRP 591 22.937 -2.894 8.146 48 HE3 TRP 591 HE3 TRP 591 19.641 -1.421 4.210 49 HZ2 TRP 591 HZ2 TRP 591 22.089 -0.210 8.378 50 HZ3 TRP 591 HZ3 TRP 591 19.458 0.827 5.188 51 HH2 TRP 591 HH2 TRP 591 20.658 1.418 7.230 52 H HIS 592 H HIS 592 20.362 -1.881 2.599 53 HA HIS 592 HA HIS 592 18.419 -2.999 0.718 54 HB2 HIS 592 1HB HIS 592 18.295 -0.652 2.594 55 HB3 HIS 592 2HB HIS 592 17.163 -0.819 1.255 56 HD1 HIS 592 HD1 HIS 592 17.639 -1.803 4.721 57 HD2 HIS 592 HD2 HIS 592 15.652 -3.351 1.410 58 HE1 HIS 592 HE1 HIS 592 16.025 -3.495 5.629 59 HE2 HIS 592 HE2 HIS 592 14.665 -4.223 3.640 60 H GLU 593 H GLU 593 21.288 -1.718 0.437 61 HA GLU 593 HA GLU 593 21.142 0.766 -0.758 62 HB2 GLU 593 1HB GLU 593 23.343 0.262 -1.718 63 HB3 GLU 593 2HB GLU 593 23.230 -0.221 -0.031 64 HG2 GLU 593 1HG GLU 593 23.006 -2.522 -0.636 65 HG3 GLU 593 2HG GLU 593 22.888 -2.111 -2.345 66 H HIS 594 H HIS 594 20.538 -2.367 -2.207 67 HA HIS 594 HA HIS 594 20.461 -1.323 -4.882 68 HB2 HIS 594 1HB HIS 594 19.561 -3.564 -5.513 69 HB3 HIS 594 2HB HIS 594 21.102 -3.620 -4.662 70 HD1 HIS 594 HD1 HIS 594 19.136 -6.035 -4.874 71 HD2 HIS 594 HD2 HIS 594 19.438 -3.481 -1.613 72 HE1 HIS 594 HE1 HIS 594 18.350 -7.364 -2.898 73 HE2 HIS 594 HE2 HIS 594 18.845 -5.895 -0.921 74 H VAL 595 H VAL 595 18.689 -0.219 -2.743 75 HA VAL 595 HA VAL 595 16.301 -0.088 -4.435 76 HB VAL 595 HB VAL 595 16.299 -0.303 -1.418 77 HG11 VAL 595 1HG1 VAL 595 13.791 -0.221 -1.688 78 HG12 VAL 595 2HG1 VAL 595 14.062 0.339 -3.341 79 HG13 VAL 595 3HG1 VAL 595 14.637 1.298 -1.979 80 HG21 VAL 595 3HG2 VAL 595 16.537 -2.456 -2.509 81 HG22 VAL 595 1HG2 VAL 595 15.130 -2.121 -3.517 82 HG23 VAL 595 2HG2 VAL 595 14.942 -2.311 -1.773 83 H THR 596 H THR 596 15.687 1.983 -4.815 84 HA THR 596 HA THR 596 17.221 4.094 -3.541 85 HB THR 596 HB THR 596 17.100 4.270 -5.918 86 HG1 THR 596 HG1 THR 596 16.885 6.341 -5.631 87 HG21 THR 596 1HG2 THR 596 15.113 2.924 -6.324 88 HG22 THR 596 2HG2 THR 596 14.985 4.480 -7.142 89 HG23 THR 596 3HG2 THR 596 14.100 4.193 -5.647 90 H GLN 597 H GLN 597 16.078 6.125 -2.935 91 HA GLN 597 HA GLN 597 14.140 5.646 -0.927 92 HB2 GLN 597 1HB GLN 597 15.781 7.509 -0.894 93 HB3 GLN 597 2HB GLN 597 14.948 8.247 -2.250 94 HG2 GLN 597 1HG GLN 597 14.276 9.381 -0.282 95 HG3 GLN 597 2HG GLN 597 12.915 8.405 -0.825 96 HE21 GLN 597 1HE2 GLN 597 15.713 7.083 0.791 97 HE22 GLN 597 2HE2 GLN 597 14.909 6.661 2.252 98 H ASP 598 H ASP 598 14.037 6.935 -4.168 99 HA ASP 598 HA ASP 598 11.387 7.825 -4.239 100 HB2 ASP 598 1HB ASP 598 13.079 8.390 -5.956 101 HB3 ASP 598 2HB ASP 598 12.990 6.741 -6.562 102 H LEU 599 H LEU 599 12.739 4.636 -4.916 103 HA LEU 599 HA LEU 599 10.580 3.422 -6.098 104 HB2 LEU 599 1HB LEU 599 12.901 2.469 -5.761 105 HB3 LEU 599 2HB LEU 599 12.418 2.053 -4.124 106 HG LEU 599 HG LEU 599 10.659 0.594 -5.000 107 HD11 LEU 599 1HD1 LEU 599 10.665 0.113 -7.453 108 HD12 LEU 599 2HD1 LEU 599 11.698 1.531 -7.658 109 HD13 LEU 599 3HD1 LEU 599 10.070 1.712 -7.008 110 HD21 LEU 599 3HD2 LEU 599 12.800 -0.423 -4.584 111 HD22 LEU 599 1HD2 LEU 599 13.400 0.105 -6.156 112 HD23 LEU 599 2HD2 LEU 599 12.122 -1.107 -6.061 113 H ARG 600 H ARG 600 11.321 3.656 -2.637 114 HA ARG 600 HA ARG 600 9.168 2.164 -1.694 115 HB2 ARG 600 1HB ARG 600 10.745 4.405 -0.466 116 HB3 ARG 600 2HB ARG 600 9.401 3.663 0.391 117 HG2 ARG 600 1HG ARG 600 10.644 1.441 -0.140 118 HG3 ARG 600 2HG ARG 600 12.039 2.501 -0.364 119 HD2 ARG 600 1HD ARG 600 10.307 2.553 2.094 120 HD3 ARG 600 2HD ARG 600 11.734 1.532 1.949 121 HE ARG 600 HE ARG 600 13.071 3.528 1.811 122 HH11 ARG 600 1HH1 ARG 600 9.712 4.146 2.614 123 HH12 ARG 600 2HH1 ARG 600 10.083 5.535 3.592 124 HH21 ARG 600 1HH2 ARG 600 13.538 5.354 3.104 125 HH22 ARG 600 2HH2 ARG 600 12.240 6.229 3.850 126 H SER 601 H SER 601 9.346 5.708 -2.193 127 HA SER 601 HA SER 601 6.713 6.185 -1.329 128 HB2 SER 601 1HB SER 601 7.000 8.382 -2.565 129 HB3 SER 601 2HB SER 601 8.227 8.025 -1.354 130 HG SER 601 HG SER 601 9.022 7.010 -3.696 131 H HIS 602 H HIS 602 8.084 5.521 -4.506 132 HA HIS 602 HA HIS 602 5.811 6.014 -6.069 133 HB2 HIS 602 1HB HIS 602 8.192 5.511 -6.870 134 HB3 HIS 602 2HB HIS 602 7.800 3.809 -6.644 135 HD1 HIS 602 HD1 HIS 602 6.843 6.780 -8.757 136 HD2 HIS 602 HD2 HIS 602 6.311 2.662 -8.643 137 HE1 HIS 602 HE1 HIS 602 5.800 6.174 -10.964 138 HE2 HIS 602 HE2 HIS 602 5.632 3.658 -10.929 139 H LEU 603 H LEU 603 6.955 3.003 -4.593 140 HA LEU 603 HA LEU 603 4.797 1.405 -5.383 141 HB2 LEU 603 1HB LEU 603 6.584 1.057 -2.980 142 HB3 LEU 603 2HB LEU 603 5.570 -0.175 -3.700 143 HG LEU 603 HG LEU 603 7.797 1.190 -5.201 144 HD11 LEU 603 1HD1 LEU 603 7.851 -1.442 -3.742 145 HD12 LEU 603 2HD1 LEU 603 8.755 0.010 -3.316 146 HD13 LEU 603 3HD1 LEU 603 9.107 -0.839 -4.821 147 HD21 LEU 603 3HD2 LEU 603 6.099 0.212 -6.621 148 HD22 LEU 603 1HD2 LEU 603 6.201 -1.311 -5.737 149 HD23 LEU 603 2HD2 LEU 603 7.573 -0.753 -6.694 150 H VAL 604 H VAL 604 5.222 3.391 -2.469 151 HA VAL 604 HA VAL 604 2.992 2.492 -1.047 152 HB VAL 604 HB VAL 604 4.300 5.215 -1.109 153 HG11 VAL 604 1HG1 VAL 604 2.206 4.224 0.828 154 HG12 VAL 604 2HG1 VAL 604 1.945 5.443 -0.420 155 HG13 VAL 604 3HG1 VAL 604 3.059 5.764 0.910 156 HG21 VAL 604 3HG2 VAL 604 5.660 3.386 -0.218 157 HG22 VAL 604 1HG2 VAL 604 4.371 2.980 0.918 158 HG23 VAL 604 2HG2 VAL 604 5.209 4.525 1.051 159 H HIS 605 H HIS 605 3.239 4.937 -3.618 160 HA HIS 605 HA HIS 605 0.560 5.815 -3.465 161 HB2 HIS 605 1HB HIS 605 2.531 5.868 -5.743 162 HB3 HIS 605 2HB HIS 605 0.896 6.507 -5.899 163 HD1 HIS 605 HD1 HIS 605 0.302 8.592 -4.392 164 HD2 HIS 605 HD2 HIS 605 4.320 7.533 -4.468 165 HE1 HIS 605 HE1 HIS 605 1.544 10.583 -3.490 166 HE2 HIS 605 HE2 HIS 605 3.955 9.861 -3.408 167 H LYS 606 H LYS 606 2.072 3.153 -5.228 168 HA LYS 606 HA LYS 606 -0.140 2.349 -6.747 169 HB2 LYS 606 1HB LYS 606 2.073 0.693 -5.526 170 HB3 LYS 606 2HB LYS 606 0.901 0.070 -6.678 171 HG2 LYS 606 1HG LYS 606 1.688 1.728 -8.324 172 HG3 LYS 606 2HG LYS 606 2.921 2.245 -7.171 173 HD2 LYS 606 1HD LYS 606 3.904 0.033 -7.179 174 HD3 LYS 606 2HD LYS 606 2.625 -0.560 -8.238 175 HE2 LYS 606 1HE LYS 606 4.631 1.579 -8.932 176 HE3 LYS 606 2HE LYS 606 4.697 -0.099 -9.467 177 HZ1 LYS 606 3HZ LYS 606 2.576 0.240 -10.601 178 HZ2 LYS 606 1HZ LYS 606 3.761 1.302 -11.174 179 HZ3 LYS 606 2HZ LYS 606 2.562 1.861 -10.122 180 H LEU 607 H LEU 607 0.780 1.644 -3.426 181 HA LEU 607 HA LEU 607 -1.259 -0.224 -2.862 182 HB2 LEU 607 1HB LEU 607 0.873 0.365 -1.536 183 HB3 LEU 607 2HB LEU 607 -0.063 1.682 -0.861 184 HG LEU 607 HG LEU 607 -0.973 -1.180 -0.654 185 HD11 LEU 607 1HD1 LEU 607 1.254 -1.028 0.315 186 HD12 LEU 607 2HD1 LEU 607 0.028 -1.223 1.568 187 HD13 LEU 607 3HD1 LEU 607 0.750 0.356 1.278 188 HD21 LEU 607 3HD2 LEU 607 -2.651 0.536 -0.222 189 HD22 LEU 607 1HD2 LEU 607 -1.583 1.287 0.962 190 HD23 LEU 607 2HD2 LEU 607 -2.226 -0.327 1.258 191 H VAL 608 H VAL 608 -1.033 3.282 -2.230 192 HA VAL 608 HA VAL 608 -3.624 3.744 -1.358 193 HB VAL 608 HB VAL 608 -1.910 5.545 -3.082 194 HG11 VAL 608 1HG1 VAL 608 -4.251 6.260 -3.056 195 HG12 VAL 608 2HG1 VAL 608 -3.221 7.390 -2.177 196 HG13 VAL 608 3HG1 VAL 608 -4.234 6.249 -1.294 197 HG21 VAL 608 3HG2 VAL 608 -2.163 5.329 -0.086 198 HG22 VAL 608 1HG2 VAL 608 -1.256 6.575 -0.942 199 HG23 VAL 608 2HG2 VAL 608 -0.760 4.888 -1.058 200 H GLN 609 H GLN 609 -2.368 3.619 -4.659 201 HA GLN 609 HA GLN 609 -4.638 4.322 -6.097 202 HB2 GLN 609 1HB GLN 609 -2.345 3.979 -7.022 203 HB3 GLN 609 2HB GLN 609 -2.564 2.247 -6.850 204 HG2 GLN 609 1HG GLN 609 -2.928 2.817 -9.125 205 HG3 GLN 609 2HG GLN 609 -4.485 2.391 -8.419 206 HE21 GLN 609 1HE2 GLN 609 -2.900 5.441 -7.820 207 HE22 GLN 609 2HE2 GLN 609 -4.015 6.419 -8.697 208 H ALA 610 H ALA 610 -3.639 1.165 -4.856 209 HA ALA 610 HA ALA 610 -5.709 -0.372 -5.929 210 HB1 ALA 610 3HB ALA 610 -4.256 -0.831 -3.328 211 HB2 ALA 610 1HB ALA 610 -3.664 -1.298 -4.922 212 HB3 ALA 610 2HB ALA 610 -5.128 -2.038 -4.276 213 H ILE 611 H ILE 611 -5.564 1.494 -2.916 214 HA ILE 611 HA ILE 611 -8.138 0.509 -2.064 215 HB ILE 611 HB ILE 611 -6.358 2.720 -0.921 216 HG12 ILE 611 1HG1 ILE 611 -6.985 0.173 0.575 217 HG13 ILE 611 2HG1 ILE 611 -5.744 0.172 -0.689 218 HG21 ILE 611 1HG2 ILE 611 -7.779 2.839 1.022 219 HG22 ILE 611 2HG2 ILE 611 -8.881 1.644 0.342 220 HG23 ILE 611 3HG2 ILE 611 -8.699 3.223 -0.434 221 HD11 ILE 611 3HD1 ILE 611 -5.813 1.929 1.753 222 HD12 ILE 611 1HD1 ILE 611 -4.560 1.945 0.511 223 HD13 ILE 611 2HD1 ILE 611 -4.793 0.511 1.510 224 H PHE 612 H PHE 612 -6.920 3.303 -3.793 225 HA PHE 612 HA PHE 612 -9.607 4.268 -4.219 226 HB2 PHE 612 1HB PHE 612 -8.619 5.179 -1.950 227 HB3 PHE 612 2HB PHE 612 -7.714 6.250 -3.006 228 HD1 PHE 612 HD2 PHE 612 -11.115 5.210 -2.032 229 HD2 PHE 612 HD1 PHE 612 -8.728 8.148 -3.966 230 HE1 PHE 612 HE2 PHE 612 -13.061 6.712 -2.138 231 HE2 PHE 612 HE1 PHE 612 -10.669 9.657 -4.071 232 HZ PHE 612 HZ PHE 612 -12.838 8.940 -3.158 233 HA PRO 613 HA PRO 613 -6.648 4.980 -7.654 234 HB2 PRO 613 1HB PRO 613 -8.359 4.348 -9.680 235 HB3 PRO 613 2HB PRO 613 -7.477 3.126 -8.753 236 HG2 PRO 613 1HG PRO 613 -10.334 3.949 -8.586 237 HG3 PRO 613 2HG PRO 613 -9.605 2.359 -8.319 238 HD2 PRO 613 1HD PRO 613 -10.444 4.119 -6.319 239 HD3 PRO 613 2HD PRO 613 -9.309 2.760 -6.104 240 H THR 614 H THR 614 -9.958 6.141 -7.362 241 HA THR 614 HA THR 614 -9.938 7.974 -9.480 242 HB THR 614 HB THR 614 -11.875 9.038 -8.241 243 HG1 THR 614 HG1 THR 614 -11.015 8.291 -6.134 244 HG21 THR 614 1HG2 THR 614 -12.213 7.268 -9.894 245 HG22 THR 614 2HG2 THR 614 -13.341 7.080 -8.551 246 HG23 THR 614 3HG2 THR 614 -11.922 6.039 -8.663 247 HA PRO 615 HA PRO 615 -7.501 11.256 -7.515 248 HB2 PRO 615 1HB PRO 615 -7.737 12.598 -10.097 249 HB3 PRO 615 2HB PRO 615 -6.284 11.942 -9.322 250 HG2 PRO 615 1HG PRO 615 -7.341 10.834 -11.563 251 HG3 PRO 615 2HG PRO 615 -6.504 9.865 -10.326 252 HD2 PRO 615 1HD PRO 615 -9.463 10.295 -10.732 253 HD3 PRO 615 2HD PRO 615 -8.591 8.769 -10.439 254 H ASP 616 H ASP 616 -9.215 11.947 -6.184 255 HA ASP 616 HA ASP 616 -11.200 13.746 -7.396 256 HB2 ASP 616 1HB ASP 616 -12.054 11.845 -6.012 257 HB3 ASP 616 2HB ASP 616 -11.190 12.505 -4.628 258 HA PRO 617 HA PRO 617 -8.755 17.154 -6.049 259 HB2 PRO 617 1HB PRO 617 -10.801 19.050 -6.120 260 HB3 PRO 617 2HB PRO 617 -9.836 18.535 -7.511 261 HG2 PRO 617 1HG PRO 617 -12.553 17.640 -6.641 262 HG3 PRO 617 2HG PRO 617 -11.945 17.969 -8.279 263 HD2 PRO 617 1HD PRO 617 -12.211 15.464 -7.387 264 HD3 PRO 617 2HD PRO 617 -10.838 15.925 -8.427 265 H ALA 618 H ALA 618 -11.847 16.424 -4.448 266 HA ALA 618 HA ALA 618 -11.170 18.179 -2.229 267 HB1 ALA 618 3HB ALA 618 -13.586 16.422 -2.654 268 HB2 ALA 618 1HB ALA 618 -13.476 18.136 -3.053 269 HB3 ALA 618 2HB ALA 618 -13.379 17.614 -1.372 270 H ALA 619 H ALA 619 -11.888 14.742 -2.769 271 HA ALA 619 HA ALA 619 -11.272 13.746 -0.271 272 HB1 ALA 619 3HB ALA 619 -12.243 12.482 -2.209 273 HB2 ALA 619 1HB ALA 619 -11.004 11.609 -1.306 274 HB3 ALA 619 2HB ALA 619 -10.607 12.349 -2.851 275 H LEU 620 H LEU 620 -9.114 14.832 -2.769 276 HA LEU 620 HA LEU 620 -6.727 13.624 -1.861 277 HB2 LEU 620 1HB LEU 620 -7.446 15.215 -3.981 278 HB3 LEU 620 2HB LEU 620 -6.458 16.306 -3.032 279 HG LEU 620 HG LEU 620 -5.149 15.197 -4.772 280 HD11 LEU 620 1HD1 LEU 620 -4.001 15.816 -2.724 281 HD12 LEU 620 2HD1 LEU 620 -3.324 14.337 -3.402 282 HD13 LEU 620 3HD1 LEU 620 -4.404 14.254 -2.010 283 HD21 LEU 620 3HD2 LEU 620 -4.739 12.807 -4.731 284 HD22 LEU 620 1HD2 LEU 620 -6.460 13.134 -4.925 285 HD23 LEU 620 2HD2 LEU 620 -5.831 12.622 -3.360 286 H LYS 621 H LYS 621 -8.497 16.449 -0.827 287 HA LYS 621 HA LYS 621 -6.335 17.190 1.028 288 HB2 LYS 621 1HB LYS 621 -8.851 18.718 0.291 289 HB3 LYS 621 2HB LYS 621 -7.557 19.299 1.332 290 HG2 LYS 621 1HG LYS 621 -6.000 19.147 -0.590 291 HG3 LYS 621 2HG LYS 621 -7.366 18.695 -1.612 292 HD2 LYS 621 1HD LYS 621 -7.089 21.272 -0.067 293 HD3 LYS 621 2HD LYS 621 -6.852 21.081 -1.804 294 HE2 LYS 621 1HE LYS 621 -9.191 20.384 -2.036 295 HE3 LYS 621 2HE LYS 621 -9.423 20.590 -0.301 296 HZ1 LYS 621 3HZ LYS 621 -8.871 22.941 -0.568 297 HZ2 LYS 621 1HZ LYS 621 -10.222 22.512 -1.484 298 HZ3 LYS 621 2HZ LYS 621 -8.726 22.730 -2.237 299 H ASP 622 H ASP 622 -8.388 14.946 1.221 300 HA ASP 622 HA ASP 622 -9.900 15.771 3.596 301 HB2 ASP 622 1HB ASP 622 -11.291 14.827 1.895 302 HB3 ASP 622 2HB ASP 622 -10.188 13.479 1.653 303 H ARG 623 H ARG 623 -9.522 14.930 5.557 304 HA ARG 623 HA ARG 623 -7.037 13.810 6.156 305 HB2 ARG 623 1HB ARG 623 -9.544 13.973 7.828 306 HB3 ARG 623 2HB ARG 623 -7.976 13.493 8.450 307 HG2 ARG 623 1HG ARG 623 -8.654 16.184 7.260 308 HG3 ARG 623 2HG ARG 623 -8.464 15.813 8.971 309 HD2 ARG 623 1HD ARG 623 -6.120 15.138 8.504 310 HD3 ARG 623 2HD ARG 623 -6.341 15.680 6.840 311 HE ARG 623 HE ARG 623 -6.961 17.648 8.865 312 HH11 ARG 623 1HH1 ARG 623 -4.528 16.354 6.693 313 HH12 ARG 623 2HH1 ARG 623 -3.526 17.774 6.788 314 HH21 ARG 623 1HH2 ARG 623 -5.654 19.517 8.959 315 HH22 ARG 623 2HH2 ARG 623 -4.163 19.567 8.074 316 H ARG 624 H ARG 624 -10.192 12.239 5.802 317 HA ARG 624 HA ARG 624 -9.556 9.749 6.861 318 HB2 ARG 624 1HB ARG 624 -11.715 9.460 6.411 319 HB3 ARG 624 2HB ARG 624 -11.719 10.934 5.464 320 HG2 ARG 624 1HG ARG 624 -10.942 9.508 3.507 321 HG3 ARG 624 2HG ARG 624 -11.351 8.111 4.506 322 HD2 ARG 624 1HD ARG 624 -13.210 8.754 3.008 323 HD3 ARG 624 2HD ARG 624 -13.640 8.902 4.718 324 HE ARG 624 HE ARG 624 -12.593 11.346 3.672 325 HH11 ARG 624 1HH1 ARG 624 -15.519 9.397 3.721 326 HH12 ARG 624 2HH1 ARG 624 -16.577 10.769 3.651 327 HH21 ARG 624 1HH2 ARG 624 -13.970 13.135 3.578 328 HH22 ARG 624 2HH2 ARG 624 -15.698 12.905 3.551 329 H MET 625 H MET 625 -9.053 11.015 3.573 330 HA MET 625 HA MET 625 -8.038 8.627 2.493 331 HB2 MET 625 1HB MET 625 -8.598 10.336 0.934 332 HB3 MET 625 2HB MET 625 -7.524 11.497 1.703 333 HG2 MET 625 1HG MET 625 -5.574 10.151 1.025 334 HG3 MET 625 2HG MET 625 -6.662 9.009 0.235 335 HE1 MET 625 3HE MET 625 -7.936 9.446 -1.979 336 HE2 MET 625 1HE MET 625 -8.045 11.018 -2.771 337 HE3 MET 625 2HE MET 625 -8.806 10.766 -1.201 338 H GLU 626 H GLU 626 -6.490 11.176 4.370 339 HA GLU 626 HA GLU 626 -3.826 10.387 3.942 340 HB2 GLU 626 1HB GLU 626 -5.128 11.851 6.231 341 HB3 GLU 626 2HB GLU 626 -3.393 11.579 6.128 342 HG2 GLU 626 1HG GLU 626 -3.370 12.781 3.974 343 HG3 GLU 626 2HG GLU 626 -5.088 13.122 4.182 344 H ASN 627 H ASN 627 -6.256 9.350 6.273 345 HA ASN 627 HA ASN 627 -4.618 7.849 7.978 346 HB2 ASN 627 1HB ASN 627 -7.508 7.509 7.181 347 HB3 ASN 627 2HB ASN 627 -6.721 6.443 8.338 348 HD21 ASN 627 1HD2 ASN 627 -5.962 9.853 8.139 349 HD22 ASN 627 2HD2 ASN 627 -6.710 10.299 9.632 350 H LEU 628 H LEU 628 -6.301 6.910 4.997 351 HA LEU 628 HA LEU 628 -5.416 4.189 5.110 352 HB2 LEU 628 1HB LEU 628 -6.508 3.849 3.082 353 HB3 LEU 628 2HB LEU 628 -7.436 5.167 3.770 354 HG LEU 628 HG LEU 628 -5.864 6.660 2.266 355 HD11 LEU 628 1HD1 LEU 628 -5.766 4.005 0.850 356 HD12 LEU 628 2HD1 LEU 628 -4.390 4.886 1.515 357 HD13 LEU 628 3HD1 LEU 628 -5.297 5.557 0.162 358 HD21 LEU 628 3HD2 LEU 628 -8.335 6.346 2.126 359 HD22 LEU 628 1HD2 LEU 628 -8.047 4.992 1.039 360 HD23 LEU 628 2HD2 LEU 628 -7.549 6.616 0.571 361 H VAL 629 H VAL 629 -4.128 7.131 3.642 362 HA VAL 629 HA VAL 629 -2.060 5.861 2.161 363 HB VAL 629 HB VAL 629 -2.174 8.682 3.253 364 HG11 VAL 629 1HG1 VAL 629 -0.393 7.480 1.136 365 HG12 VAL 629 2HG1 VAL 629 0.112 8.016 2.739 366 HG13 VAL 629 3HG1 VAL 629 -0.472 9.190 1.558 367 HG21 VAL 629 3HG2 VAL 629 -4.013 8.200 1.732 368 HG22 VAL 629 1HG2 VAL 629 -2.876 7.593 0.528 369 HG23 VAL 629 2HG2 VAL 629 -2.856 9.298 0.978 370 H ALA 630 H ALA 630 -2.266 7.256 5.408 371 HA ALA 630 HA ALA 630 0.369 6.838 6.201 372 HB1 ALA 630 3HB ALA 630 -1.076 8.200 7.526 373 HB2 ALA 630 1HB ALA 630 -0.555 6.843 8.521 374 HB3 ALA 630 2HB ALA 630 -2.177 6.858 7.821 375 H TYR 631 H TYR 631 -2.419 4.631 6.265 376 HA TYR 631 HA TYR 631 -1.055 2.503 7.535 377 HB2 TYR 631 1HB TYR 631 -3.551 2.541 7.285 378 HB3 TYR 631 2HB TYR 631 -3.337 2.196 5.567 379 HD1 TYR 631 HD1 TYR 631 -2.119 0.899 8.847 380 HD2 TYR 631 HD2 TYR 631 -3.532 -0.033 4.946 381 HE1 TYR 631 HE1 TYR 631 -1.955 -1.492 9.370 382 HE2 TYR 631 HE2 TYR 631 -3.377 -2.433 5.463 383 HH TYR 631 HH TYR 631 -2.130 -3.908 7.000 384 H ALA 632 H ALA 632 -1.305 3.530 4.187 385 HA ALA 632 HA ALA 632 -0.195 1.318 2.905 386 HB1 ALA 632 3HB ALA 632 0.435 2.888 1.118 387 HB2 ALA 632 1HB ALA 632 0.125 4.240 2.205 388 HB3 ALA 632 2HB ALA 632 -1.201 3.198 1.696 389 H LYS 633 H LYS 633 1.333 4.069 4.517 390 HA LYS 633 HA LYS 633 4.006 3.412 3.982 391 HB2 LYS 633 1HB LYS 633 2.546 5.258 5.685 392 HB3 LYS 633 2HB LYS 633 3.963 4.620 6.503 393 HG2 LYS 633 1HG LYS 633 4.584 6.652 5.424 394 HG3 LYS 633 2HG LYS 633 5.326 5.315 4.539 395 HD2 LYS 633 1HD LYS 633 4.481 6.750 2.882 396 HD3 LYS 633 2HD LYS 633 3.309 5.433 2.990 397 HE2 LYS 633 1HE LYS 633 2.269 7.681 2.842 398 HE3 LYS 633 2HE LYS 633 1.816 6.789 4.292 399 HZ1 LYS 633 3HZ LYS 633 2.347 9.130 4.728 400 HZ2 LYS 633 1HZ LYS 633 3.926 8.876 4.187 401 HZ3 LYS 633 2HZ LYS 633 3.366 8.083 5.569 402 H LYS 634 H LYS 634 1.830 2.442 6.614 403 HA LYS 634 HA LYS 634 3.665 1.099 8.229 404 HB2 LYS 634 1HB LYS 634 0.734 0.829 7.767 405 HB3 LYS 634 2HB LYS 634 1.547 -0.466 8.628 406 HG2 LYS 634 1HG LYS 634 0.648 1.040 10.230 407 HG3 LYS 634 2HG LYS 634 2.402 1.232 10.237 408 HD2 LYS 634 1HD LYS 634 2.200 3.231 8.866 409 HD3 LYS 634 2HD LYS 634 0.449 3.024 8.799 410 HE2 LYS 634 1HE LYS 634 0.391 3.221 11.273 411 HE3 LYS 634 2HE LYS 634 2.117 3.576 11.246 412 HZ1 LYS 634 3HZ LYS 634 1.668 5.529 9.917 413 HZ2 LYS 634 1HZ LYS 634 0.776 5.584 11.352 414 HZ3 LYS 634 2HZ LYS 634 0.016 5.176 9.899 415 H VAL 635 H VAL 635 1.720 -0.162 5.544 416 HA VAL 635 HA VAL 635 2.735 -2.737 5.438 417 HB VAL 635 HB VAL 635 1.665 -0.927 3.292 418 HG11 VAL 635 1HG1 VAL 635 1.721 -2.821 1.730 419 HG12 VAL 635 2HG1 VAL 635 2.638 -3.758 2.909 420 HG13 VAL 635 3HG1 VAL 635 3.344 -2.308 2.195 421 HG21 VAL 635 3HG2 VAL 635 0.667 -3.554 4.384 422 HG22 VAL 635 1HG2 VAL 635 -0.194 -2.457 3.306 423 HG23 VAL 635 2HG2 VAL 635 0.144 -1.972 4.969 424 H GLU 636 H GLU 636 4.029 0.209 3.924 425 HA GLU 636 HA GLU 636 6.147 -0.892 2.526 426 HB2 GLU 636 1HB GLU 636 5.885 1.361 2.081 427 HB3 GLU 636 2HB GLU 636 5.565 1.765 3.762 428 HG2 GLU 636 1HG GLU 636 7.978 1.388 4.239 429 HG3 GLU 636 2HG GLU 636 8.234 1.196 2.505 430 H GLY 637 H GLY 637 5.970 0.189 5.900 431 HA2 GLY 637 1HA GLY 637 8.670 -0.287 6.559 432 HA3 GLY 637 2HA GLY 637 7.348 -0.190 7.711 433 H ASP 638 H ASP 638 5.800 -2.351 7.023 434 HA ASP 638 HA ASP 638 7.202 -4.413 8.341 435 HB2 ASP 638 1HB ASP 638 4.723 -4.100 8.391 436 HB3 ASP 638 2HB ASP 638 4.657 -4.709 6.738 437 H MET 639 H MET 639 6.382 -3.934 4.938 438 HA MET 639 HA MET 639 7.450 -6.386 3.978 439 HB2 MET 639 1HB MET 639 7.291 -3.756 2.465 440 HB3 MET 639 2HB MET 639 7.473 -5.355 1.758 441 HG2 MET 639 1HG MET 639 5.061 -4.457 3.324 442 HG3 MET 639 2HG MET 639 5.180 -4.380 1.565 443 HE1 MET 639 3HE MET 639 3.076 -5.815 1.089 444 HE2 MET 639 1HE MET 639 2.753 -5.776 2.826 445 HE3 MET 639 2HE MET 639 2.688 -7.306 1.950 446 H TYR 640 H TYR 640 8.804 -3.272 4.643 447 HA TYR 640 HA TYR 640 11.081 -3.225 3.154 448 HB2 TYR 640 1HB TYR 640 10.169 -1.427 4.802 449 HB3 TYR 640 2HB TYR 640 11.254 -2.183 5.965 450 HD1 TYR 640 HD2 TYR 640 11.545 -1.323 2.342 451 HD2 TYR 640 HD1 TYR 640 13.153 -0.852 6.257 452 HE1 TYR 640 HE2 TYR 640 13.384 0.008 1.425 453 HE2 TYR 640 HE1 TYR 640 15.003 0.479 5.339 454 HH TYR 640 HH TYR 640 14.993 1.686 2.149 455 H GLU 641 H GLU 641 10.742 -5.019 6.203 456 HA GLU 641 HA GLU 641 13.546 -5.579 6.450 457 HB2 GLU 641 1HB GLU 641 11.091 -6.780 7.657 458 HB3 GLU 641 2HB GLU 641 12.602 -7.697 7.747 459 HG2 GLU 641 1HG GLU 641 12.531 -6.459 9.774 460 HG3 GLU 641 2HG GLU 641 13.605 -5.502 8.743 461 H SER 642 H SER 642 10.838 -7.479 5.186 462 HA SER 642 HA SER 642 12.364 -9.616 4.171 463 HB2 SER 642 1HB SER 642 9.693 -8.606 3.173 464 HB3 SER 642 2HB SER 642 10.362 -10.220 2.933 465 HG SER 642 HG SER 642 10.420 -9.765 5.525 466 H ALA 643 H ALA 643 11.298 -6.592 2.775 467 HA ALA 643 HA ALA 643 11.961 -6.791 0.130 468 HB1 ALA 643 3HB ALA 643 12.056 -4.402 0.100 469 HB2 ALA 643 1HB ALA 643 12.346 -4.352 1.839 470 HB3 ALA 643 2HB ALA 643 10.795 -4.920 1.220 471 H ASN 644 H ASN 644 14.209 -7.849 1.963 472 HA ASN 644 HA ASN 644 16.445 -6.153 1.212 473 HB2 ASN 644 1HB ASN 644 16.133 -7.509 3.442 474 HB3 ASN 644 2HB ASN 644 16.746 -8.872 2.512 475 HD21 ASN 644 1HD2 ASN 644 18.686 -7.561 0.936 476 HD22 ASN 644 2HD2 ASN 644 19.947 -6.980 1.979 477 H SER 645 H SER 645 14.640 -7.731 -0.701 478 HA SER 645 HA SER 645 16.804 -8.504 -2.455 479 HB2 SER 645 1HB SER 645 14.556 -10.433 -1.810 480 HB3 SER 645 2HB SER 645 15.828 -10.684 -3.005 481 HG SER 645 HG SER 645 17.091 -10.125 -0.803 482 H ARG 646 H ARG 646 16.281 -8.056 -4.599 483 HA ARG 646 HA ARG 646 14.390 -6.048 -4.954 484 HB2 ARG 646 1HB ARG 646 15.779 -7.801 -6.974 485 HB3 ARG 646 2HB ARG 646 14.767 -6.440 -7.429 486 HG2 ARG 646 1HG ARG 646 17.174 -6.201 -5.642 487 HG3 ARG 646 2HG ARG 646 17.222 -5.980 -7.392 488 HD2 ARG 646 1HD ARG 646 15.540 -4.386 -5.457 489 HD3 ARG 646 2HD ARG 646 17.043 -3.841 -6.203 490 HE ARG 646 HE ARG 646 15.064 -4.647 -8.116 491 HH11 ARG 646 1HH1 ARG 646 16.224 -1.986 -6.156 492 HH12 ARG 646 2HH1 ARG 646 15.476 -0.772 -7.149 493 HH21 ARG 646 1HH2 ARG 646 14.103 -3.057 -9.424 494 HH22 ARG 646 2HH2 ARG 646 14.274 -1.378 -9.007 495 H ASP 647 H ASP 647 14.197 -9.419 -6.035 496 HA ASP 647 HA ASP 647 11.663 -9.187 -7.245 497 HB2 ASP 647 1HB ASP 647 13.193 -11.041 -7.745 498 HB3 ASP 647 2HB ASP 647 13.011 -11.647 -6.102 499 H GLU 648 H GLU 648 12.667 -10.101 -4.002 500 HA GLU 648 HA GLU 648 10.194 -11.019 -3.069 501 HB2 GLU 648 1HB GLU 648 12.495 -11.274 -1.988 502 HB3 GLU 648 2HB GLU 648 12.256 -9.658 -1.331 503 HG2 GLU 648 1HG GLU 648 10.458 -10.348 0.006 504 HG3 GLU 648 2HG GLU 648 10.241 -11.827 -0.921 505 H TYR 649 H TYR 649 11.648 -7.792 -3.009 506 HA TYR 649 HA TYR 649 9.744 -6.523 -1.424 507 HB2 TYR 649 1HB TYR 649 11.980 -5.614 -2.289 508 HB3 TYR 649 2HB TYR 649 11.116 -5.194 -3.762 509 HD1 TYR 649 HD2 TYR 649 9.047 -4.868 -0.853 510 HD2 TYR 649 HD1 TYR 649 12.037 -2.888 -3.141 511 HE1 TYR 649 HE2 TYR 649 8.408 -2.729 0.171 512 HE2 TYR 649 HE1 TYR 649 11.408 -0.744 -2.117 513 HH TYR 649 HH TYR 649 9.282 -0.549 0.583 514 H TYR 650 H TYR 650 9.825 -6.823 -5.002 515 HA TYR 650 HA TYR 650 7.427 -5.458 -5.437 516 HB2 TYR 650 1HB TYR 650 9.118 -7.336 -7.051 517 HB3 TYR 650 2HB TYR 650 7.623 -6.674 -7.667 518 HD1 TYR 650 HD2 TYR 650 7.386 -4.237 -8.029 519 HD2 TYR 650 HD1 TYR 650 11.093 -5.997 -6.912 520 HE1 TYR 650 HE2 TYR 650 8.560 -2.198 -8.734 521 HE2 TYR 650 HE1 TYR 650 12.278 -3.962 -7.616 522 HH TYR 650 HH TYR 650 11.900 -2.067 -9.168 523 H HIS 651 H HIS 651 8.169 -8.855 -4.824 524 HA HIS 651 HA HIS 651 5.706 -9.872 -5.840 525 HB2 HIS 651 1HB HIS 651 7.726 -11.283 -5.581 526 HB3 HIS 651 2HB HIS 651 7.591 -11.133 -3.832 527 HD1 HIS 651 HD1 HIS 651 6.705 -13.254 -2.910 528 HD2 HIS 651 HD2 HIS 651 4.913 -12.278 -6.533 529 HE1 HIS 651 HE1 HIS 651 4.987 -15.041 -3.318 530 HE2 HIS 651 HE2 HIS 651 3.803 -14.334 -5.425 531 H LEU 652 H LEU 652 6.860 -8.956 -2.634 532 HA LEU 652 HA LEU 652 4.586 -9.787 -1.191 533 HB2 LEU 652 1HB LEU 652 6.549 -7.579 -0.579 534 HB3 LEU 652 2HB LEU 652 5.401 -8.250 0.562 535 HG LEU 652 HG LEU 652 7.658 -9.780 -0.729 536 HD11 LEU 652 1HD1 LEU 652 8.672 -9.721 1.489 537 HD12 LEU 652 2HD1 LEU 652 7.360 -8.692 2.063 538 HD13 LEU 652 3HD1 LEU 652 8.469 -8.100 0.827 539 HD21 LEU 652 3HD2 LEU 652 7.098 -11.516 0.907 540 HD22 LEU 652 1HD2 LEU 652 5.757 -11.207 -0.194 541 HD23 LEU 652 2HD2 LEU 652 5.719 -10.559 1.446 542 H LEU 653 H LEU 653 5.480 -6.614 -2.521 543 HA LEU 653 HA LEU 653 3.156 -5.285 -1.642 544 HB2 LEU 653 1HB LEU 653 5.136 -4.693 -3.825 545 HB3 LEU 653 2HB LEU 653 3.767 -3.643 -3.501 546 HG LEU 653 HG LEU 653 5.592 -4.352 -1.247 547 HD11 LEU 653 1HD1 LEU 653 6.882 -2.264 -1.875 548 HD12 LEU 653 2HD1 LEU 653 6.170 -2.436 -3.481 549 HD13 LEU 653 3HD1 LEU 653 7.202 -3.707 -2.832 550 HD21 LEU 653 3HD2 LEU 653 4.101 -1.831 -1.973 551 HD22 LEU 653 1HD2 LEU 653 4.958 -2.152 -0.466 552 HD23 LEU 653 2HD2 LEU 653 3.510 -3.076 -0.869 553 H ALA 654 H ALA 654 3.943 -6.805 -4.775 554 HA ALA 654 HA ALA 654 1.524 -6.220 -6.070 555 HB1 ALA 654 3HB ALA 654 2.105 -8.028 -7.600 556 HB2 ALA 654 1HB ALA 654 3.325 -8.608 -6.466 557 HB3 ALA 654 2HB ALA 654 3.514 -7.031 -7.236 558 H GLU 655 H GLU 655 2.469 -9.066 -4.176 559 HA GLU 655 HA GLU 655 0.091 -10.544 -4.425 560 HB2 GLU 655 1HB GLU 655 1.956 -11.684 -3.434 561 HB3 GLU 655 2HB GLU 655 2.136 -10.445 -2.188 562 HG2 GLU 655 1HG GLU 655 1.204 -12.271 -1.095 563 HG3 GLU 655 2HG GLU 655 -0.173 -11.210 -1.394 564 H LYS 656 H LYS 656 1.045 -8.084 -2.109 565 HA LYS 656 HA LYS 656 -1.209 -8.065 -0.467 566 HB2 LYS 656 1HB LYS 656 0.884 -6.964 0.095 567 HB3 LYS 656 2HB LYS 656 0.711 -5.864 -1.254 568 HG2 LYS 656 1HG LYS 656 -1.288 -5.918 0.978 569 HG3 LYS 656 2HG LYS 656 0.219 -5.013 1.109 570 HD2 LYS 656 1HD LYS 656 -2.058 -4.590 -0.816 571 HD3 LYS 656 2HD LYS 656 -1.403 -3.464 0.371 572 HE2 LYS 656 1HE LYS 656 -0.107 -4.392 -2.187 573 HE3 LYS 656 2HE LYS 656 -0.689 -2.775 -1.809 574 HZ1 LYS 656 3HZ LYS 656 1.007 -2.658 -0.055 575 HZ2 LYS 656 1HZ LYS 656 1.681 -2.851 -1.596 576 HZ3 LYS 656 2HZ LYS 656 1.600 -4.166 -0.537 577 H ILE 657 H ILE 657 -0.560 -6.382 -3.516 578 HA ILE 657 HA ILE 657 -2.859 -4.738 -3.471 579 HB ILE 657 HB ILE 657 -1.221 -5.699 -5.838 580 HG12 ILE 657 1HG1 ILE 657 -1.225 -3.098 -4.285 581 HG13 ILE 657 2HG1 ILE 657 0.023 -4.337 -4.220 582 HG21 ILE 657 1HG2 ILE 657 -2.265 -3.884 -7.099 583 HG22 ILE 657 2HG2 ILE 657 -3.288 -3.500 -5.715 584 HG23 ILE 657 3HG2 ILE 657 -3.471 -5.046 -6.544 585 HD11 ILE 657 3HD1 ILE 657 0.698 -2.451 -5.593 586 HD12 ILE 657 1HD1 ILE 657 -0.704 -2.699 -6.636 587 HD13 ILE 657 2HD1 ILE 657 0.563 -3.923 -6.556 588 H TYR 658 H TYR 658 -2.250 -7.927 -4.918 589 HA TYR 658 HA TYR 658 -4.801 -8.198 -6.100 590 HB2 TYR 658 1HB TYR 658 -2.740 -9.652 -6.559 591 HB3 TYR 658 2HB TYR 658 -3.167 -10.539 -5.097 592 HD1 TYR 658 HD1 TYR 658 -5.799 -9.221 -7.327 593 HD2 TYR 658 HD2 TYR 658 -3.439 -12.632 -6.317 594 HE1 TYR 658 HE1 TYR 658 -7.316 -10.652 -8.611 595 HE2 TYR 658 HE2 TYR 658 -4.960 -14.058 -7.603 596 HH TYR 658 HH TYR 658 -7.134 -14.109 -8.482 597 H LYS 659 H LYS 659 -3.574 -9.011 -2.880 598 HA LYS 659 HA LYS 659 -5.804 -10.362 -1.892 599 HB2 LYS 659 1HB LYS 659 -3.786 -8.582 -0.525 600 HB3 LYS 659 2HB LYS 659 -5.023 -9.468 0.358 601 HG2 LYS 659 1HG LYS 659 -3.058 -10.806 -1.481 602 HG3 LYS 659 2HG LYS 659 -2.756 -10.554 0.240 603 HD2 LYS 659 1HD LYS 659 -4.610 -11.912 0.851 604 HD3 LYS 659 2HD LYS 659 -5.198 -11.969 -0.809 605 HE2 LYS 659 1HE LYS 659 -2.542 -13.097 0.044 606 HE3 LYS 659 2HE LYS 659 -4.030 -14.042 0.016 607 HZ1 LYS 659 3HZ LYS 659 -2.925 -14.429 -2.011 608 HZ2 LYS 659 1HZ LYS 659 -2.643 -12.783 -2.287 609 HZ3 LYS 659 2HZ LYS 659 -4.215 -13.405 -2.379 610 H ILE 660 H ILE 660 -5.093 -6.888 -1.915 611 HA ILE 660 HA ILE 660 -7.476 -6.080 -0.659 612 HB ILE 660 HB ILE 660 -5.229 -4.741 -1.715 613 HG12 ILE 660 1HG1 ILE 660 -7.661 -3.693 -0.265 614 HG13 ILE 660 2HG1 ILE 660 -6.271 -4.462 0.491 615 HG21 ILE 660 1HG2 ILE 660 -7.815 -3.743 -2.905 616 HG22 ILE 660 2HG2 ILE 660 -6.303 -4.099 -3.741 617 HG23 ILE 660 3HG2 ILE 660 -6.411 -2.708 -2.672 618 HD11 ILE 660 3HD1 ILE 660 -6.212 -2.033 0.683 619 HD12 ILE 660 1HD1 ILE 660 -6.207 -1.896 -1.072 620 HD13 ILE 660 2HD1 ILE 660 -4.846 -2.650 -0.245 621 H GLN 661 H GLN 661 -6.790 -6.888 -4.007 622 HA GLN 661 HA GLN 661 -9.073 -5.557 -5.091 623 HB2 GLN 661 1HB GLN 661 -7.427 -7.832 -6.246 624 HB3 GLN 661 2HB GLN 661 -8.712 -7.003 -7.105 625 HG2 GLN 661 1HG GLN 661 -7.433 -4.876 -6.873 626 HG3 GLN 661 2HG GLN 661 -6.122 -5.791 -6.138 627 HE21 GLN 661 1HE2 GLN 661 -6.167 -4.218 -8.584 628 HE22 GLN 661 2HE2 GLN 661 -5.684 -5.292 -9.852 629 H LYS 662 H LYS 662 -8.379 -8.794 -3.939 630 HA LYS 662 HA LYS 662 -10.875 -9.922 -4.645 631 HB2 LYS 662 1HB LYS 662 -8.692 -10.736 -2.752 632 HB3 LYS 662 2HB LYS 662 -10.191 -11.647 -2.866 633 HG2 LYS 662 1HG LYS 662 -8.342 -11.091 -5.177 634 HG3 LYS 662 2HG LYS 662 -8.382 -12.591 -4.246 635 HD2 LYS 662 1HD LYS 662 -10.702 -12.950 -4.904 636 HD3 LYS 662 2HD LYS 662 -10.695 -11.435 -5.805 637 HE2 LYS 662 1HE LYS 662 -8.983 -12.315 -7.295 638 HE3 LYS 662 2HE LYS 662 -8.944 -13.820 -6.379 639 HZ1 LYS 662 3HZ LYS 662 -11.322 -12.770 -7.809 640 HZ2 LYS 662 1HZ LYS 662 -11.212 -14.253 -7.004 641 HZ3 LYS 662 2HZ LYS 662 -10.298 -13.976 -8.399 642 H GLU 663 H GLU 663 -9.642 -8.349 -1.734 643 HA GLU 663 HA GLU 663 -11.792 -8.903 -0.024 644 HB2 GLU 663 1HB GLU 663 -9.910 -6.544 -0.129 645 HB3 GLU 663 2HB GLU 663 -11.093 -6.771 1.149 646 HG2 GLU 663 1HG GLU 663 -8.830 -8.637 0.481 647 HG3 GLU 663 2HG GLU 663 -8.894 -7.518 1.842 648 H LEU 664 H LEU 664 -11.218 -6.125 -2.156 649 HA LEU 664 HA LEU 664 -13.566 -4.730 -1.582 650 HB2 LEU 664 1HB LEU 664 -12.038 -4.801 -4.187 651 HB3 LEU 664 2HB LEU 664 -13.232 -3.594 -3.742 652 HG LEU 664 HG LEU 664 -10.605 -4.039 -2.317 653 HD11 LEU 664 1HD1 LEU 664 -11.473 -1.873 -4.224 654 HD12 LEU 664 2HD1 LEU 664 -10.269 -3.123 -4.540 655 HD13 LEU 664 3HD1 LEU 664 -9.964 -1.896 -3.313 656 HD21 LEU 664 3HD2 LEU 664 -12.732 -1.930 -1.973 657 HD22 LEU 664 1HD2 LEU 664 -11.152 -1.926 -1.190 658 HD23 LEU 664 2HD2 LEU 664 -12.316 -3.197 -0.820 659 H GLU 665 H GLU 665 -12.923 -7.133 -4.139 660 HA GLU 665 HA GLU 665 -15.489 -6.962 -5.313 661 HB2 GLU 665 1HB GLU 665 -13.530 -9.266 -5.350 662 HB3 GLU 665 2HB GLU 665 -14.902 -9.068 -6.433 663 HG2 GLU 665 1HG GLU 665 -13.904 -7.016 -7.313 664 HG3 GLU 665 2HG GLU 665 -12.524 -7.234 -6.238 665 H GLU 666 H GLU 666 -14.122 -9.081 -2.843 666 HA GLU 666 HA GLU 666 -16.249 -10.874 -2.578 667 HB2 GLU 666 1HB GLU 666 -14.015 -11.202 -1.593 668 HB3 GLU 666 2HB GLU 666 -14.312 -9.884 -0.473 669 HG2 GLU 666 1HG GLU 666 -14.602 -11.953 0.676 670 HG3 GLU 666 2HG GLU 666 -16.178 -11.186 0.497 671 H LYS 667 H LYS 667 -15.572 -7.876 -0.775 672 HA LYS 667 HA LYS 667 -17.840 -8.165 0.898 673 HB2 LYS 667 1HB LYS 667 -17.329 -5.980 1.753 674 HB3 LYS 667 2HB LYS 667 -15.850 -6.905 1.575 675 HG2 LYS 667 1HG LYS 667 -15.489 -5.689 -0.598 676 HG3 LYS 667 2HG LYS 667 -16.829 -4.640 -0.133 677 HD2 LYS 667 1HD LYS 667 -14.235 -5.038 1.356 678 HD3 LYS 667 2HD LYS 667 -14.735 -3.599 0.473 679 HE2 LYS 667 1HE LYS 667 -15.194 -2.991 2.646 680 HE3 LYS 667 2HE LYS 667 -16.754 -3.620 2.123 681 HZ1 LYS 667 3HZ LYS 667 -16.378 -5.632 3.286 682 HZ2 LYS 667 1HZ LYS 667 -15.978 -4.387 4.360 683 HZ3 LYS 667 2HZ LYS 667 -14.754 -5.260 3.578 684 H ARG 668 H ARG 668 -17.309 -6.254 -2.069 685 HA ARG 668 HA ARG 668 -19.781 -4.926 -1.745 686 HB2 ARG 668 1HB ARG 668 -19.337 -3.797 -3.820 687 HB3 ARG 668 2HB ARG 668 -17.872 -3.832 -2.853 688 HG2 ARG 668 1HG ARG 668 -17.101 -5.777 -4.199 689 HG3 ARG 668 2HG ARG 668 -18.520 -5.561 -5.230 690 HD2 ARG 668 1HD ARG 668 -17.792 -3.311 -5.789 691 HD3 ARG 668 2HD ARG 668 -16.406 -3.476 -4.715 692 HE ARG 668 HE ARG 668 -16.584 -5.442 -6.840 693 HH11 ARG 668 1HH1 ARG 668 -15.289 -2.365 -5.786 694 HH12 ARG 668 2HH1 ARG 668 -14.003 -2.364 -6.952 695 HH21 ARG 668 1HH2 ARG 668 -14.892 -5.440 -8.379 696 HH22 ARG 668 2HH2 ARG 668 -13.775 -4.111 -8.422 697 H ARG 669 H ARG 669 -18.847 -7.798 -3.076 698 HA ARG 669 HA ARG 669 -20.848 -8.197 -5.021 699 HB2 ARG 669 1HB ARG 669 -18.750 -9.572 -4.676 700 HB3 ARG 669 2HB ARG 669 -19.574 -10.336 -3.323 701 HG2 ARG 669 1HG ARG 669 -21.379 -11.006 -4.942 702 HG3 ARG 669 2HG ARG 669 -20.310 -10.455 -6.233 703 HD2 ARG 669 1HD ARG 669 -20.063 -12.841 -5.917 704 HD3 ARG 669 2HD ARG 669 -18.583 -12.013 -5.437 705 HE ARG 669 HE ARG 669 -20.604 -13.014 -3.534 706 HH11 ARG 669 1HH1 ARG 669 -17.272 -12.395 -4.426 707 HH12 ARG 669 2HH1 ARG 669 -16.628 -12.999 -2.927 708 HH21 ARG 669 1HH2 ARG 669 -19.759 -13.798 -1.561 709 HH22 ARG 669 2HH2 ARG 669 -18.039 -13.777 -1.296 710 H SER 670 H SER 670 -20.778 -8.553 -1.554 711 HA SER 670 HA SER 670 -23.487 -9.664 -1.538 712 HB2 SER 670 1HB SER 670 -21.762 -10.732 -0.106 713 HB3 SER 670 2HB SER 670 -21.554 -9.209 0.753 714 HG SER 670 HG SER 670 -24.157 -10.125 0.607 715 H ARG 671 H ARG 671 -22.125 -6.714 -1.734 716 HA ARG 671 HA ARG 671 -23.811 -5.435 0.248 717 HB2 ARG 671 1HB ARG 671 -21.432 -4.796 0.198 718 HB3 ARG 671 2HB ARG 671 -21.619 -4.263 -1.463 719 HG2 ARG 671 1HG ARG 671 -21.581 -2.413 0.170 720 HG3 ARG 671 2HG ARG 671 -23.055 -2.463 -0.794 721 HD2 ARG 671 1HD ARG 671 -22.936 -3.766 1.903 722 HD3 ARG 671 2HD ARG 671 -23.225 -2.036 1.752 723 HE ARG 671 HE ARG 671 -25.039 -3.181 0.059 724 HH11 ARG 671 1HH1 ARG 671 -24.302 -3.467 3.461 725 HH12 ARG 671 2HH1 ARG 671 -25.923 -3.881 3.913 726 HH21 ARG 671 1HH2 ARG 671 -27.184 -3.736 0.630 727 HH22 ARG 671 2HH2 ARG 671 -27.566 -4.033 2.303 728 H LEU 672 H LEU 672 -25.533 -6.309 -1.336 729 HA LEU 672 HA LEU 672 -26.038 -4.674 -3.641 730 HB2 LEU 672 1HB LEU 672 -27.829 -6.575 -2.101 731 HB3 LEU 672 2HB LEU 672 -28.315 -5.762 -3.573 732 HG LEU 672 HG LEU 672 -27.748 -7.913 -4.261 733 HD11 LEU 672 1HD1 LEU 672 -25.799 -7.687 -5.656 734 HD12 LEU 672 2HD1 LEU 672 -25.228 -6.329 -4.693 735 HD13 LEU 672 3HD1 LEU 672 -26.708 -6.177 -5.641 736 HD21 LEU 672 3HD2 LEU 672 -25.751 -9.130 -3.609 737 HD22 LEU 672 1HD2 LEU 672 -26.695 -8.671 -2.194 738 HD23 LEU 672 2HD2 LEU 672 -25.232 -7.778 -2.605 739 H1 ASP 840 1H ASP 840 2.677 -12.115 10.123 740 HA ASP 840 HA ASP 840 0.898 -11.072 9.185 741 HB2 ASP 840 1HB ASP 840 -0.259 -12.560 11.500 742 HB3 ASP 840 2HB ASP 840 -1.297 -11.405 10.663 743 H ALA 841 H ALA 841 2.204 -9.108 9.859 744 HA ALA 841 HA ALA 841 0.926 -7.433 11.857 745 HB1 ALA 841 3HB ALA 841 3.136 -6.800 9.901 746 HB2 ALA 841 1HB ALA 841 3.350 -7.324 11.571 747 HB3 ALA 841 2HB ALA 841 2.600 -5.767 11.226 748 H GLY 842 H GLY 842 -0.667 -8.356 9.665 749 HA2 GLY 842 1HA GLY 842 -2.425 -7.400 8.524 750 HA3 GLY 842 2HA GLY 842 -1.662 -5.819 8.673 751 H ASN 843 H ASN 843 -0.977 -8.959 7.257 752 HA ASN 843 HA ASN 843 0.273 -7.837 4.921 753 HB2 ASN 843 1HB ASN 843 -0.770 -10.652 5.333 754 HB3 ASN 843 2HB ASN 843 0.370 -10.139 4.092 755 HD21 ASN 843 1HD2 ASN 843 2.497 -9.338 4.897 756 HD22 ASN 843 2HD2 ASN 843 3.139 -10.004 6.363 757 H ILE 844 H ILE 844 -2.747 -9.522 5.614 758 HA ILE 844 HA ILE 844 -4.017 -8.434 3.236 759 HB ILE 844 HB ILE 844 -5.491 -9.754 5.537 760 HG12 ILE 844 1HG1 ILE 844 -4.197 -11.104 3.142 761 HG13 ILE 844 2HG1 ILE 844 -3.717 -11.305 4.824 762 HG21 ILE 844 1HG2 ILE 844 -7.110 -10.306 3.770 763 HG22 ILE 844 2HG2 ILE 844 -6.102 -9.463 2.595 764 HG23 ILE 844 3HG2 ILE 844 -6.855 -8.566 3.914 765 HD11 ILE 844 3HD1 ILE 844 -5.859 -12.365 5.318 766 HD12 ILE 844 1HD1 ILE 844 -5.019 -13.204 4.013 767 HD13 ILE 844 2HD1 ILE 844 -6.366 -12.126 3.646 768 H LEU 845 H LEU 845 -5.287 -6.580 3.246 769 HA LEU 845 HA LEU 845 -4.796 -4.861 5.494 770 HB2 LEU 845 1HB LEU 845 -6.150 -4.354 2.848 771 HB3 LEU 845 2HB LEU 845 -5.911 -3.124 4.076 772 HG LEU 845 HG LEU 845 -3.382 -3.899 3.859 773 HD11 LEU 845 1HD1 LEU 845 -3.808 -5.683 2.262 774 HD12 LEU 845 2HD1 LEU 845 -2.793 -4.429 1.557 775 HD13 LEU 845 3HD1 LEU 845 -4.498 -4.521 1.128 776 HD21 LEU 845 3HD2 LEU 845 -4.193 -1.636 3.515 777 HD22 LEU 845 1HD2 LEU 845 -4.750 -2.068 1.900 778 HD23 LEU 845 2HD2 LEU 845 -3.027 -2.082 2.268 779 HA PRO 846 HA PRO 846 -8.267 -5.610 7.976 780 HB2 PRO 846 1HB PRO 846 -8.361 -2.629 8.147 781 HB3 PRO 846 2HB PRO 846 -8.409 -3.832 9.440 782 HG2 PRO 846 1HG PRO 846 -6.172 -2.493 8.921 783 HG3 PRO 846 2HG PRO 846 -6.126 -4.213 9.354 784 HD2 PRO 846 1HD PRO 846 -5.719 -2.913 6.714 785 HD3 PRO 846 2HD PRO 846 -5.020 -4.410 7.362 786 H SER 847 H SER 847 -10.318 -5.929 7.689 787 HA SER 847 HA SER 847 -11.768 -5.279 5.423 788 HB2 SER 847 1HB SER 847 -12.860 -5.947 8.163 789 HB3 SER 847 2HB SER 847 -13.704 -6.133 6.625 790 HG SER 847 HG SER 847 -11.391 -7.393 6.403 791 H ASP 848 H ASP 848 -11.582 -3.652 8.546 792 HA ASP 848 HA ASP 848 -13.664 -1.834 8.303 793 HB2 ASP 848 1HB ASP 848 -12.362 -2.096 10.371 794 HB3 ASP 848 2HB ASP 848 -10.972 -1.332 9.599 795 H ILE 849 H ILE 849 -10.281 -1.407 7.213 796 HA ILE 849 HA ILE 849 -10.676 1.198 6.180 797 HB ILE 849 HB ILE 849 -8.600 -0.779 5.188 798 HG12 ILE 849 1HG1 ILE 849 -8.494 -0.602 7.644 799 HG13 ILE 849 2HG1 ILE 849 -7.100 0.164 6.894 800 HG21 ILE 849 1HG2 ILE 849 -8.861 1.221 3.805 801 HG22 ILE 849 2HG2 ILE 849 -7.316 1.247 4.657 802 HG23 ILE 849 3HG2 ILE 849 -8.655 2.244 5.226 803 HD11 ILE 849 3HD1 ILE 849 -8.115 2.359 7.251 804 HD12 ILE 849 1HD1 ILE 849 -7.934 1.470 8.762 805 HD13 ILE 849 2HD1 ILE 849 -9.516 1.588 7.996 806 H MET 850 H MET 850 -10.937 -2.014 4.770 807 HA MET 850 HA MET 850 -11.471 -1.252 2.114 808 HB2 MET 850 1HB MET 850 -12.457 -3.669 3.649 809 HB3 MET 850 2HB MET 850 -12.532 -3.496 1.903 810 HG2 MET 850 1HG MET 850 -10.016 -3.596 3.557 811 HG3 MET 850 2HG MET 850 -10.684 -4.923 2.612 812 HE1 MET 850 3HE MET 850 -8.163 -2.102 2.659 813 HE2 MET 850 1HE MET 850 -9.579 -1.131 2.259 814 HE3 MET 850 2HE MET 850 -8.292 -1.336 1.076 815 H ASP 851 H ASP 851 -13.639 -1.828 4.865 816 HA ASP 851 HA ASP 851 -16.040 -1.143 3.551 817 HB2 ASP 851 1HB ASP 851 -15.183 -1.219 6.441 818 HB3 ASP 851 2HB ASP 851 -16.714 -0.454 6.011 819 H PHE 852 H PHE 852 -13.589 0.820 5.133 820 HA PHE 852 HA PHE 852 -14.983 3.211 5.383 821 HB2 PHE 852 1HB PHE 852 -12.618 2.466 6.219 822 HB3 PHE 852 2HB PHE 852 -12.061 3.185 4.714 823 HD1 PHE 852 HD1 PHE 852 -14.705 4.252 7.114 824 HD2 PHE 852 HD2 PHE 852 -10.982 5.161 5.256 825 HE1 PHE 852 HE1 PHE 852 -14.694 6.451 8.213 826 HE2 PHE 852 HE2 PHE 852 -10.970 7.355 6.351 827 HZ PHE 852 HZ PHE 852 -12.826 8.005 7.829 828 H VAL 853 H VAL 853 -12.930 2.119 2.645 829 HA VAL 853 HA VAL 853 -13.453 4.416 1.071 830 HB VAL 853 HB VAL 853 -11.555 3.150 0.423 831 HG11 VAL 853 1HG1 VAL 853 -12.165 0.972 1.273 832 HG12 VAL 853 2HG1 VAL 853 -11.682 0.848 -0.419 833 HG13 VAL 853 3HG1 VAL 853 -13.390 0.797 0.017 834 HG21 VAL 853 3HG2 VAL 853 -13.696 2.709 -1.656 835 HG22 VAL 853 1HG2 VAL 853 -11.957 2.723 -1.946 836 HG23 VAL 853 2HG2 VAL 853 -12.779 4.196 -1.422 837 H LEU 854 H LEU 854 -15.042 1.264 1.249 838 HA LEU 854 HA LEU 854 -16.958 1.618 -0.744 839 HB2 LEU 854 1HB LEU 854 -16.793 -0.029 1.725 840 HB3 LEU 854 2HB LEU 854 -18.375 0.166 1.004 841 HG LEU 854 HG LEU 854 -17.094 -1.923 0.362 842 HD11 LEU 854 1HD1 LEU 854 -19.015 -1.125 -0.930 843 HD12 LEU 854 2HD1 LEU 854 -17.797 -1.876 -1.959 844 HD13 LEU 854 3HD1 LEU 854 -17.942 -0.122 -1.908 845 HD21 LEU 854 3HD2 LEU 854 -14.888 -0.930 0.097 846 HD22 LEU 854 1HD2 LEU 854 -15.475 0.042 -1.253 847 HD23 LEU 854 2HD2 LEU 854 -15.409 -1.715 -1.394 848 H LYS 855 H LYS 855 -16.830 2.807 2.551 849 HA LYS 855 HA LYS 855 -19.514 3.673 2.783 850 HB2 LYS 855 1HB LYS 855 -17.829 3.460 4.672 851 HB3 LYS 855 2HB LYS 855 -17.110 4.959 4.111 852 HG2 LYS 855 1HG LYS 855 -18.554 5.439 5.987 853 HG3 LYS 855 2HG LYS 855 -19.289 6.101 4.521 854 HD2 LYS 855 1HD LYS 855 -20.803 4.231 4.379 855 HD3 LYS 855 2HD LYS 855 -19.992 3.424 5.722 856 HE2 LYS 855 1HE LYS 855 -20.635 5.330 7.178 857 HE3 LYS 855 2HE LYS 855 -21.551 5.999 5.829 858 HZ1 LYS 855 3HZ LYS 855 -22.929 4.028 5.816 859 HZ2 LYS 855 1HZ LYS 855 -22.957 4.745 7.347 860 HZ3 LYS 855 2HZ LYS 855 -22.035 3.353 7.084 861 H ASN 856 H ASN 856 -16.840 4.924 1.036 862 HA ASN 856 HA ASN 856 -17.977 7.613 0.802 863 HB2 ASN 856 1HB ASN 856 -15.361 6.357 0.050 864 HB3 ASN 856 2HB ASN 856 -15.878 7.818 -0.779 865 HD21 ASN 856 1HD2 ASN 856 -14.271 9.075 0.020 866 HD22 ASN 856 2HD2 ASN 856 -14.181 9.560 1.675 867 H THR 857 H THR 857 -18.088 8.578 -1.371 868 HA THR 857 HA THR 857 -18.544 6.649 -3.525 869 HB THR 857 HB THR 857 -20.293 9.071 -3.048 870 HG1 THR 857 HG1 THR 857 -20.381 6.573 -1.981 871 HG21 THR 857 1HG2 THR 857 -20.096 8.428 -5.400 872 HG22 THR 857 2HG2 THR 857 -21.708 8.060 -4.789 873 HG23 THR 857 3HG2 THR 857 -20.527 6.767 -4.994 874 HA PRO 858 HA PRO 858 -15.375 9.633 -4.917 875 HB2 PRO 858 1HB PRO 858 -15.056 7.550 -6.990 876 HB3 PRO 858 2HB PRO 858 -13.846 8.273 -5.926 877 HG2 PRO 858 1HG PRO 858 -14.703 5.767 -5.551 878 HG3 PRO 858 2HG PRO 858 -14.322 6.829 -4.182 879 HD2 PRO 858 1HD PRO 858 -16.988 6.079 -5.315 880 HD3 PRO 858 2HD PRO 858 -16.494 6.256 -3.620 Start of MODEL 9 1 H1 GLY 586 1H GLY 586 30.339 6.317 -0.835 2 HA2 GLY 586 1HA GLY 586 28.897 4.457 -0.733 3 HA3 GLY 586 2HA GLY 586 30.269 3.450 -0.299 4 H VAL 587 H VAL 587 27.936 3.174 1.028 5 HA VAL 587 HA VAL 587 28.447 4.465 3.621 6 HB VAL 587 HB VAL 587 26.020 4.089 4.090 7 HG11 VAL 587 1HG1 VAL 587 26.641 5.813 1.695 8 HG12 VAL 587 2HG1 VAL 587 26.826 6.277 3.386 9 HG13 VAL 587 3HG1 VAL 587 25.219 5.963 2.728 10 HG21 VAL 587 3HG2 VAL 587 24.509 3.656 2.213 11 HG22 VAL 587 1HG2 VAL 587 25.612 2.304 2.474 12 HG23 VAL 587 2HG2 VAL 587 25.896 3.432 1.148 13 H ARG 588 H ARG 588 27.797 3.145 5.500 14 HA ARG 588 HA ARG 588 28.741 0.448 5.205 15 HB2 ARG 588 1HB ARG 588 28.411 0.244 7.640 16 HB3 ARG 588 2HB ARG 588 29.337 1.674 7.230 17 HG2 ARG 588 1HG ARG 588 27.919 2.388 8.919 18 HG3 ARG 588 2HG ARG 588 27.117 2.943 7.459 19 HD2 ARG 588 1HD ARG 588 25.620 1.009 7.545 20 HD3 ARG 588 2HD ARG 588 26.432 0.450 9.007 21 HE ARG 588 HE ARG 588 25.507 3.096 9.361 22 HH11 ARG 588 1HH1 ARG 588 24.315 -0.190 9.126 23 HH12 ARG 588 2HH1 ARG 588 22.936 0.108 10.135 24 HH21 ARG 588 1HH2 ARG 588 23.697 3.487 10.686 25 HH22 ARG 588 2HH2 ARG 588 22.586 2.202 11.028 26 H LYS 589 H LYS 589 25.667 1.998 5.246 27 HA LYS 589 HA LYS 589 24.228 -0.494 5.610 28 HB2 LYS 589 1HB LYS 589 22.252 0.914 5.528 29 HB3 LYS 589 2HB LYS 589 23.452 1.741 6.520 30 HG2 LYS 589 1HG LYS 589 24.030 3.139 4.552 31 HG3 LYS 589 2HG LYS 589 22.675 2.407 3.692 32 HD2 LYS 589 1HD LYS 589 21.137 3.219 5.409 33 HD3 LYS 589 2HD LYS 589 22.489 3.934 6.291 34 HE2 LYS 589 1HE LYS 589 21.449 5.684 5.065 35 HE3 LYS 589 2HE LYS 589 22.966 5.311 4.252 36 HZ1 LYS 589 3HZ LYS 589 21.661 3.920 2.690 37 HZ2 LYS 589 1HZ LYS 589 21.273 5.564 2.620 38 HZ3 LYS 589 2HZ LYS 589 20.245 4.486 3.415 39 H GLY 590 H GLY 590 25.555 -1.338 3.742 40 HA2 GLY 590 1HA GLY 590 24.826 -0.352 1.115 41 HA3 GLY 590 2HA GLY 590 26.021 -1.580 1.494 42 H TRP 591 H TRP 591 22.836 -1.917 2.874 43 HA TRP 591 HA TRP 591 22.541 -4.352 1.319 44 HB2 TRP 591 1HB TRP 591 20.215 -3.916 2.857 45 HB3 TRP 591 2HB TRP 591 21.459 -5.123 3.100 46 HD1 TRP 591 HD1 TRP 591 22.999 -4.843 5.197 47 HE1 TRP 591 HE1 TRP 591 22.939 -3.251 7.224 48 HE3 TRP 591 HE3 TRP 591 19.730 -1.347 3.398 49 HZ2 TRP 591 HZ2 TRP 591 21.709 -0.808 7.939 50 HZ3 TRP 591 HZ3 TRP 591 19.169 0.582 4.809 51 HH2 TRP 591 HH2 TRP 591 20.139 0.844 7.034 52 H HIS 592 H HIS 592 20.585 -1.443 1.969 53 HA HIS 592 HA HIS 592 18.824 -2.207 -0.229 54 HB2 HIS 592 1HB HIS 592 18.509 -0.252 2.040 55 HB3 HIS 592 2HB HIS 592 17.399 -0.295 0.676 56 HD1 HIS 592 HD1 HIS 592 17.548 -1.438 3.978 57 HD2 HIS 592 HD2 HIS 592 16.480 -3.233 0.384 58 HE1 HIS 592 HE1 HIS 592 16.115 -3.401 4.604 59 HE2 HIS 592 HE2 HIS 592 15.333 -4.352 2.413 60 H GLU 593 H GLU 593 21.609 -0.619 -0.154 61 HA GLU 593 HA GLU 593 21.081 2.002 -0.923 62 HB2 GLU 593 1HB GLU 593 23.367 2.096 -1.731 63 HB3 GLU 593 2HB GLU 593 23.290 1.232 -0.203 64 HG2 GLU 593 1HG GLU 593 23.596 -0.859 -1.267 65 HG3 GLU 593 2HG GLU 593 23.373 -0.150 -2.866 66 H HIS 594 H HIS 594 21.290 -0.919 -2.928 67 HA HIS 594 HA HIS 594 20.983 0.484 -5.376 68 HB2 HIS 594 1HB HIS 594 20.428 -1.765 -6.341 69 HB3 HIS 594 2HB HIS 594 21.960 -1.692 -5.471 70 HD1 HIS 594 HD1 HIS 594 22.340 -3.576 -3.934 71 HD2 HIS 594 HD2 HIS 594 18.284 -2.912 -4.556 72 HE1 HIS 594 HE1 HIS 594 21.157 -5.408 -2.687 73 HE2 HIS 594 HE2 HIS 594 18.706 -5.010 -3.102 74 H VAL 595 H VAL 595 18.917 0.735 -3.072 75 HA VAL 595 HA VAL 595 16.618 0.798 -4.916 76 HB VAL 595 HB VAL 595 16.563 0.341 -1.929 77 HG11 VAL 595 1HG1 VAL 595 14.703 1.719 -2.434 78 HG12 VAL 595 2HG1 VAL 595 14.079 0.075 -2.297 79 HG13 VAL 595 3HG1 VAL 595 14.322 0.799 -3.889 80 HG21 VAL 595 3HG2 VAL 595 15.550 -1.809 -2.440 81 HG22 VAL 595 1HG2 VAL 595 17.142 -1.668 -3.186 82 HG23 VAL 595 2HG2 VAL 595 15.689 -1.474 -4.166 83 H THR 596 H THR 596 15.842 2.824 -5.222 84 HA THR 596 HA THR 596 16.798 4.946 -3.492 85 HB THR 596 HB THR 596 16.970 5.457 -5.793 86 HG1 THR 596 HG1 THR 596 16.180 7.227 -4.629 87 HG21 THR 596 1HG2 THR 596 15.476 3.798 -6.708 88 HG22 THR 596 2HG2 THR 596 15.049 5.383 -7.346 89 HG23 THR 596 3HG2 THR 596 14.077 4.655 -6.067 90 H GLN 597 H GLN 597 15.356 6.509 -2.541 91 HA GLN 597 HA GLN 597 13.204 5.382 -1.123 92 HB2 GLN 597 1HB GLN 597 14.495 7.348 -0.345 93 HB3 GLN 597 2HB GLN 597 13.788 8.306 -1.637 94 HG2 GLN 597 1HG GLN 597 12.650 8.777 0.421 95 HG3 GLN 597 2HG GLN 597 11.557 7.925 -0.668 96 HE21 GLN 597 1HE2 GLN 597 14.130 6.389 1.156 97 HE22 GLN 597 2HE2 GLN 597 13.104 5.491 2.204 98 H ASP 598 H ASP 598 13.419 7.267 -4.047 99 HA ASP 598 HA ASP 598 10.731 7.874 -4.471 100 HB2 ASP 598 1HB ASP 598 12.595 8.793 -5.831 101 HB3 ASP 598 2HB ASP 598 12.784 7.221 -6.595 102 H LEU 599 H LEU 599 12.558 4.946 -5.307 103 HA LEU 599 HA LEU 599 10.597 3.536 -6.644 104 HB2 LEU 599 1HB LEU 599 13.020 2.871 -6.251 105 HB3 LEU 599 2HB LEU 599 12.527 2.300 -4.668 106 HG LEU 599 HG LEU 599 10.893 0.776 -5.823 107 HD11 LEU 599 1HD1 LEU 599 11.297 0.346 -8.211 108 HD12 LEU 599 2HD1 LEU 599 12.406 1.717 -8.245 109 HD13 LEU 599 3HD1 LEU 599 10.699 1.975 -7.901 110 HD21 LEU 599 3HD2 LEU 599 13.833 0.470 -6.411 111 HD22 LEU 599 1HD2 LEU 599 12.643 -0.817 -6.589 112 HD23 LEU 599 2HD2 LEU 599 12.960 -0.124 -5.000 113 H ARG 600 H ARG 600 11.233 3.685 -3.156 114 HA ARG 600 HA ARG 600 9.187 1.947 -2.335 115 HB2 ARG 600 1HB ARG 600 10.514 4.257 -0.910 116 HB3 ARG 600 2HB ARG 600 9.380 3.161 -0.132 117 HG2 ARG 600 1HG ARG 600 10.846 1.305 -0.451 118 HG3 ARG 600 2HG ARG 600 11.927 2.269 -1.458 119 HD2 ARG 600 1HD ARG 600 12.821 2.001 0.795 120 HD3 ARG 600 2HD ARG 600 12.458 3.688 0.447 121 HE ARG 600 HE ARG 600 10.215 2.643 1.714 122 HH11 ARG 600 1HH1 ARG 600 13.596 3.202 2.437 123 HH12 ARG 600 2HH1 ARG 600 13.340 3.377 4.146 124 HH21 ARG 600 1HH2 ARG 600 9.864 2.867 3.971 125 HH22 ARG 600 2HH2 ARG 600 11.221 3.192 5.014 126 H SER 601 H SER 601 9.213 5.497 -2.631 127 HA SER 601 HA SER 601 6.585 5.872 -1.704 128 HB2 SER 601 1HB SER 601 6.790 8.112 -2.876 129 HB3 SER 601 2HB SER 601 8.043 7.748 -1.690 130 HG SER 601 HG SER 601 8.692 6.876 -4.194 131 H HIS 602 H HIS 602 7.894 5.332 -4.936 132 HA HIS 602 HA HIS 602 5.624 5.806 -6.470 133 HB2 HIS 602 1HB HIS 602 8.006 5.202 -7.240 134 HB3 HIS 602 2HB HIS 602 7.511 3.523 -7.034 135 HD1 HIS 602 HD1 HIS 602 7.021 2.583 -9.255 136 HD2 HIS 602 HD2 HIS 602 5.689 6.504 -8.913 137 HE1 HIS 602 HE1 HIS 602 5.900 3.108 -11.444 138 HE2 HIS 602 HE2 HIS 602 4.992 5.446 -11.165 139 H LEU 603 H LEU 603 6.692 2.821 -4.907 140 HA LEU 603 HA LEU 603 4.470 1.243 -5.632 141 HB2 LEU 603 1HB LEU 603 6.250 0.887 -3.222 142 HB3 LEU 603 2HB LEU 603 5.255 -0.333 -3.988 143 HG LEU 603 HG LEU 603 7.562 1.029 -5.375 144 HD11 LEU 603 1HD1 LEU 603 8.344 -0.266 -3.445 145 HD12 LEU 603 2HD1 LEU 603 8.833 -0.990 -4.977 146 HD13 LEU 603 3HD1 LEU 603 7.493 -1.681 -4.063 147 HD21 LEU 603 3HD2 LEU 603 5.917 -1.403 -6.054 148 HD22 LEU 603 1HD2 LEU 603 7.349 -0.868 -6.931 149 HD23 LEU 603 2HD2 LEU 603 5.906 0.145 -6.896 150 H VAL 604 H VAL 604 5.074 3.381 -2.917 151 HA VAL 604 HA VAL 604 2.963 2.515 -1.238 152 HB VAL 604 HB VAL 604 4.344 5.197 -1.446 153 HG11 VAL 604 1HG1 VAL 604 2.084 5.473 -0.525 154 HG12 VAL 604 2HG1 VAL 604 3.330 5.770 0.685 155 HG13 VAL 604 3HG1 VAL 604 2.440 4.248 0.693 156 HG21 VAL 604 3HG2 VAL 604 4.598 2.958 0.556 157 HG22 VAL 604 1HG2 VAL 604 5.456 4.496 0.614 158 HG23 VAL 604 2HG2 VAL 604 5.767 3.362 -0.701 159 H HIS 605 H HIS 605 3.205 5.075 -3.670 160 HA HIS 605 HA HIS 605 0.549 5.991 -3.421 161 HB2 HIS 605 1HB HIS 605 2.481 6.197 -5.726 162 HB3 HIS 605 2HB HIS 605 0.892 6.952 -5.733 163 HD1 HIS 605 HD1 HIS 605 4.269 7.777 -5.044 164 HD2 HIS 605 HD2 HIS 605 0.638 8.660 -3.221 165 HE1 HIS 605 HE1 HIS 605 4.699 9.804 -3.621 166 HE2 HIS 605 HE2 HIS 605 2.535 10.217 -2.406 167 H LYS 606 H LYS 606 1.991 3.457 -5.409 168 HA LYS 606 HA LYS 606 -0.307 2.797 -6.889 169 HB2 LYS 606 1HB LYS 606 1.867 1.895 -7.498 170 HB3 LYS 606 2HB LYS 606 1.972 1.031 -5.971 171 HG2 LYS 606 1HG LYS 606 0.235 -0.461 -6.593 172 HG3 LYS 606 2HG LYS 606 -0.189 0.518 -7.997 173 HD2 LYS 606 1HD LYS 606 1.046 -1.461 -8.677 174 HD3 LYS 606 2HD LYS 606 1.981 -0.007 -9.008 175 HE2 LYS 606 1HE LYS 606 3.299 -0.389 -6.985 176 HE3 LYS 606 2HE LYS 606 2.352 -1.836 -6.639 177 HZ1 LYS 606 3HZ LYS 606 3.153 -2.806 -8.704 178 HZ2 LYS 606 1HZ LYS 606 4.449 -2.386 -7.703 179 HZ3 LYS 606 2HZ LYS 606 4.062 -1.419 -9.035 180 H LEU 607 H LEU 607 0.806 1.753 -3.693 181 HA LEU 607 HA LEU 607 -1.254 -0.111 -3.196 182 HB2 LEU 607 1HB LEU 607 0.945 0.261 -1.931 183 HB3 LEU 607 2HB LEU 607 0.122 1.563 -1.100 184 HG LEU 607 HG LEU 607 -0.959 -1.247 -1.064 185 HD11 LEU 607 1HD1 LEU 607 1.028 -0.005 0.833 186 HD12 LEU 607 2HD1 LEU 607 1.329 -1.358 -0.258 187 HD13 LEU 607 3HD1 LEU 607 0.194 -1.541 1.080 188 HD21 LEU 607 3HD2 LEU 607 -2.002 -0.487 1.013 189 HD22 LEU 607 1HD2 LEU 607 -2.469 0.537 -0.346 190 HD23 LEU 607 2HD2 LEU 607 -1.259 1.100 0.808 191 H VAL 608 H VAL 608 -0.952 3.356 -2.463 192 HA VAL 608 HA VAL 608 -3.471 3.789 -1.324 193 HB VAL 608 HB VAL 608 -1.790 5.599 -3.073 194 HG11 VAL 608 1HG1 VAL 608 -3.101 7.467 -2.205 195 HG12 VAL 608 2HG1 VAL 608 -4.154 6.340 -1.356 196 HG13 VAL 608 3HG1 VAL 608 -4.113 6.347 -3.117 197 HG21 VAL 608 3HG2 VAL 608 -0.696 4.947 -1.009 198 HG22 VAL 608 1HG2 VAL 608 -2.113 5.439 -0.080 199 HG23 VAL 608 2HG2 VAL 608 -1.161 6.647 -0.941 200 H GLN 609 H GLN 609 -2.428 3.885 -4.698 201 HA GLN 609 HA GLN 609 -4.829 4.527 -5.931 202 HB2 GLN 609 1HB GLN 609 -2.742 4.545 -7.141 203 HB3 GLN 609 2HB GLN 609 -2.531 2.824 -6.901 204 HG2 GLN 609 1HG GLN 609 -5.021 3.425 -8.234 205 HG3 GLN 609 2HG GLN 609 -3.624 4.066 -9.091 206 HE21 GLN 609 1HE2 GLN 609 -3.391 1.214 -7.109 207 HE22 GLN 609 2HE2 GLN 609 -3.204 0.090 -8.401 208 H ALA 610 H ALA 610 -3.614 1.397 -4.844 209 HA ALA 610 HA ALA 610 -5.547 -0.253 -6.007 210 HB1 ALA 610 3HB ALA 610 -4.133 -0.643 -3.370 211 HB2 ALA 610 1HB ALA 610 -3.496 -1.094 -4.953 212 HB3 ALA 610 2HB ALA 610 -4.936 -1.893 -4.321 213 H ILE 611 H ILE 611 -5.615 1.629 -3.006 214 HA ILE 611 HA ILE 611 -8.168 0.499 -2.251 215 HB ILE 611 HB ILE 611 -6.569 2.797 -0.994 216 HG12 ILE 611 1HG1 ILE 611 -6.989 0.165 0.417 217 HG13 ILE 611 2HG1 ILE 611 -5.746 0.291 -0.837 218 HG21 ILE 611 1HG2 ILE 611 -8.998 3.013 -0.577 219 HG22 ILE 611 2HG2 ILE 611 -8.039 2.778 0.882 220 HG23 ILE 611 3HG2 ILE 611 -8.973 1.438 0.226 221 HD11 ILE 611 3HD1 ILE 611 -5.962 1.996 1.633 222 HD12 ILE 611 1HD1 ILE 611 -4.694 2.104 0.413 223 HD13 ILE 611 2HD1 ILE 611 -4.851 0.648 1.395 224 H PHE 612 H PHE 612 -6.949 3.383 -3.848 225 HA PHE 612 HA PHE 612 -9.589 4.208 -4.563 226 HB2 PHE 612 1HB PHE 612 -9.129 5.068 -2.156 227 HB3 PHE 612 2HB PHE 612 -8.016 6.190 -2.925 228 HD1 PHE 612 HD2 PHE 612 -11.279 5.089 -4.301 229 HD2 PHE 612 HD1 PHE 612 -9.086 8.211 -2.415 230 HE1 PHE 612 HE2 PHE 612 -13.136 6.642 -4.720 231 HE2 PHE 612 HE1 PHE 612 -10.950 9.763 -2.818 232 HZ PHE 612 HZ PHE 612 -12.974 8.983 -3.977 233 HA PRO 613 HA PRO 613 -6.366 5.004 -7.618 234 HB2 PRO 613 1HB PRO 613 -7.985 5.006 -9.819 235 HB3 PRO 613 2HB PRO 613 -7.416 3.526 -9.036 236 HG2 PRO 613 1HG PRO 613 -10.077 4.861 -8.897 237 HG3 PRO 613 2HG PRO 613 -9.680 3.137 -8.841 238 HD2 PRO 613 1HD PRO 613 -10.353 4.690 -6.636 239 HD3 PRO 613 2HD PRO 613 -9.444 3.158 -6.576 240 H THR 614 H THR 614 -9.359 6.862 -7.401 241 HA THR 614 HA THR 614 -8.307 9.004 -9.027 242 HB THR 614 HB THR 614 -10.490 10.152 -8.289 243 HG1 THR 614 HG1 THR 614 -11.928 8.079 -7.735 244 HG21 THR 614 1HG2 THR 614 -10.610 7.539 -9.810 245 HG22 THR 614 2HG2 THR 614 -10.198 9.114 -10.486 246 HG23 THR 614 3HG2 THR 614 -11.824 8.818 -9.867 247 HA PRO 615 HA PRO 615 -6.659 11.175 -5.407 248 HB2 PRO 615 1HB PRO 615 -5.829 13.203 -7.343 249 HB3 PRO 615 2HB PRO 615 -4.823 12.148 -6.336 250 HG2 PRO 615 1HG PRO 615 -4.945 11.855 -9.029 251 HG3 PRO 615 2HG PRO 615 -4.721 10.467 -7.934 252 HD2 PRO 615 1HD PRO 615 -7.247 11.472 -9.242 253 HD3 PRO 615 2HD PRO 615 -6.641 9.799 -9.140 254 H ASP 616 H ASP 616 -9.159 11.398 -5.286 255 HA ASP 616 HA ASP 616 -10.492 13.656 -6.304 256 HB2 ASP 616 1HB ASP 616 -11.686 11.690 -5.367 257 HB3 ASP 616 2HB ASP 616 -11.075 12.098 -3.763 258 HA PRO 617 HA PRO 617 -8.452 16.865 -4.062 259 HB2 PRO 617 1HB PRO 617 -10.403 18.814 -4.447 260 HB3 PRO 617 2HB PRO 617 -9.141 18.392 -5.617 261 HG2 PRO 617 1HG PRO 617 -11.992 17.496 -5.486 262 HG3 PRO 617 2HG PRO 617 -11.025 17.970 -6.899 263 HD2 PRO 617 1HD PRO 617 -11.492 15.398 -6.350 264 HD3 PRO 617 2HD PRO 617 -9.917 15.925 -6.998 265 H ALA 618 H ALA 618 -11.793 15.950 -3.329 266 HA ALA 618 HA ALA 618 -11.872 17.548 -0.928 267 HB1 ALA 618 3HB ALA 618 -14.052 16.517 -0.555 268 HB2 ALA 618 1HB ALA 618 -13.761 15.397 -1.886 269 HB3 ALA 618 2HB ALA 618 -13.922 17.125 -2.205 270 H ALA 619 H ALA 619 -11.953 14.066 -1.642 271 HA ALA 619 HA ALA 619 -11.460 13.113 0.923 272 HB1 ALA 619 3HB ALA 619 -10.767 11.048 -0.137 273 HB2 ALA 619 1HB ALA 619 -10.535 11.884 -1.673 274 HB3 ALA 619 2HB ALA 619 -12.154 11.723 -0.993 275 H LEU 620 H LEU 620 -9.352 14.585 -1.349 276 HA LEU 620 HA LEU 620 -6.845 13.612 -0.441 277 HB2 LEU 620 1HB LEU 620 -7.711 15.287 -2.467 278 HB3 LEU 620 2HB LEU 620 -6.834 16.376 -1.412 279 HG LEU 620 HG LEU 620 -5.357 15.604 -3.139 280 HD11 LEU 620 1HD1 LEU 620 -4.698 14.200 -0.558 281 HD12 LEU 620 2HD1 LEU 620 -4.361 15.890 -0.935 282 HD13 LEU 620 3HD1 LEU 620 -3.560 14.607 -1.842 283 HD21 LEU 620 3HD2 LEU 620 -6.542 13.564 -3.748 284 HD22 LEU 620 1HD2 LEU 620 -6.014 12.803 -2.246 285 HD23 LEU 620 2HD2 LEU 620 -4.827 13.252 -3.472 286 H LYS 621 H LYS 621 -8.989 16.142 0.644 287 HA LYS 621 HA LYS 621 -7.014 17.127 2.568 288 HB2 LYS 621 1HB LYS 621 -9.824 18.097 1.970 289 HB3 LYS 621 2HB LYS 621 -8.680 18.877 3.052 290 HG2 LYS 621 1HG LYS 621 -8.216 18.494 0.102 291 HG3 LYS 621 2HG LYS 621 -8.900 19.950 0.821 292 HD2 LYS 621 1HD LYS 621 -6.730 20.604 0.766 293 HD3 LYS 621 2HD LYS 621 -6.690 19.751 2.308 294 HE2 LYS 621 1HE LYS 621 -5.862 17.744 1.162 295 HE3 LYS 621 2HE LYS 621 -5.896 18.612 -0.371 296 HZ1 LYS 621 3HZ LYS 621 -3.680 18.580 0.578 297 HZ2 LYS 621 1HZ LYS 621 -4.241 19.334 1.985 298 HZ3 LYS 621 2HZ LYS 621 -4.270 20.163 0.509 299 H ASP 622 H ASP 622 -9.143 14.645 2.482 300 HA ASP 622 HA ASP 622 -10.374 15.070 5.095 301 HB2 ASP 622 1HB ASP 622 -11.717 14.188 3.181 302 HB3 ASP 622 2HB ASP 622 -10.708 12.744 3.154 303 H ARG 623 H ARG 623 -9.833 14.009 6.930 304 HA ARG 623 HA ARG 623 -7.318 12.979 7.357 305 HB2 ARG 623 1HB ARG 623 -9.885 12.562 8.880 306 HB3 ARG 623 2HB ARG 623 -8.341 11.960 9.453 307 HG2 ARG 623 1HG ARG 623 -8.735 14.860 8.813 308 HG3 ARG 623 2HG ARG 623 -9.210 14.191 10.374 309 HD2 ARG 623 1HD ARG 623 -7.055 14.990 10.737 310 HD3 ARG 623 2HD ARG 623 -6.829 13.262 10.486 311 HE ARG 623 HE ARG 623 -6.510 14.986 8.162 312 HH11 ARG 623 1HH1 ARG 623 -5.003 13.101 10.703 313 HH12 ARG 623 2HH1 ARG 623 -3.433 13.135 9.967 314 HH21 ARG 623 1HH2 ARG 623 -4.435 15.048 7.210 315 HH22 ARG 623 2HH2 ARG 623 -3.111 14.241 7.985 316 H ARG 624 H ARG 624 -10.257 11.217 6.439 317 HA ARG 624 HA ARG 624 -9.401 8.661 7.179 318 HB2 ARG 624 1HB ARG 624 -11.741 9.351 6.568 319 HB3 ARG 624 2HB ARG 624 -11.245 9.306 4.882 320 HG2 ARG 624 1HG ARG 624 -10.770 6.947 5.038 321 HG3 ARG 624 2HG ARG 624 -11.122 6.961 6.767 322 HD2 ARG 624 1HD ARG 624 -13.057 7.490 4.515 323 HD3 ARG 624 2HD ARG 624 -13.017 6.079 5.568 324 HE ARG 624 HE ARG 624 -13.644 8.804 6.513 325 HH11 ARG 624 1HH1 ARG 624 -14.172 5.335 6.589 326 HH12 ARG 624 2HH1 ARG 624 -15.443 5.436 7.764 327 HH21 ARG 624 1HH2 ARG 624 -15.307 8.925 8.058 328 HH22 ARG 624 2HH2 ARG 624 -16.085 7.471 8.604 329 H MET 625 H MET 625 -8.960 10.441 4.128 330 HA MET 625 HA MET 625 -7.753 8.284 2.764 331 HB2 MET 625 1HB MET 625 -8.501 10.043 1.376 332 HB3 MET 625 2HB MET 625 -7.606 11.256 2.284 333 HG2 MET 625 1HG MET 625 -5.486 10.305 1.500 334 HG3 MET 625 2HG MET 625 -6.378 9.074 0.606 335 HE1 MET 625 3HE MET 625 -7.585 9.449 -1.648 336 HE2 MET 625 1HE MET 625 -8.030 11.037 -2.273 337 HE3 MET 625 2HE MET 625 -8.734 10.452 -0.765 338 H GLU 626 H GLU 626 -6.454 10.793 4.881 339 HA GLU 626 HA GLU 626 -3.735 10.320 4.371 340 HB2 GLU 626 1HB GLU 626 -5.142 11.356 6.837 341 HB3 GLU 626 2HB GLU 626 -3.396 11.375 6.617 342 HG2 GLU 626 1HG GLU 626 -5.364 12.765 4.814 343 HG3 GLU 626 2HG GLU 626 -4.474 13.536 6.126 344 H ASN 627 H ASN 627 -6.032 8.877 6.615 345 HA ASN 627 HA ASN 627 -4.229 7.295 8.071 346 HB2 ASN 627 1HB ASN 627 -7.139 6.772 7.421 347 HB3 ASN 627 2HB ASN 627 -6.215 5.894 8.640 348 HD21 ASN 627 1HD2 ASN 627 -4.793 8.511 9.305 349 HD22 ASN 627 2HD2 ASN 627 -5.929 9.397 10.276 350 H LEU 628 H LEU 628 -6.069 6.604 5.105 351 HA LEU 628 HA LEU 628 -5.105 3.921 4.903 352 HB2 LEU 628 1HB LEU 628 -6.266 3.744 2.908 353 HB3 LEU 628 2HB LEU 628 -7.179 5.001 3.713 354 HG LEU 628 HG LEU 628 -5.745 6.638 2.289 355 HD11 LEU 628 1HD1 LEU 628 -4.128 5.019 1.455 356 HD12 LEU 628 2HD1 LEU 628 -5.062 5.716 0.133 357 HD13 LEU 628 3HD1 LEU 628 -5.428 4.092 0.705 358 HD21 LEU 628 3HD2 LEU 628 -7.391 6.578 0.563 359 HD22 LEU 628 1HD2 LEU 628 -8.186 6.119 2.069 360 HD23 LEU 628 2HD2 LEU 628 -7.752 4.883 0.891 361 H VAL 629 H VAL 629 -3.910 7.031 3.691 362 HA VAL 629 HA VAL 629 -1.815 5.955 2.111 363 HB VAL 629 HB VAL 629 -1.974 8.643 3.497 364 HG11 VAL 629 1HG1 VAL 629 -0.289 9.352 1.846 365 HG12 VAL 629 2HG1 VAL 629 -0.159 7.685 1.287 366 HG13 VAL 629 3HG1 VAL 629 0.322 8.102 2.931 367 HG21 VAL 629 3HG2 VAL 629 -2.645 9.478 1.286 368 HG22 VAL 629 1HG2 VAL 629 -3.799 8.312 1.932 369 HG23 VAL 629 2HG2 VAL 629 -2.660 7.825 0.677 370 H ALA 630 H ALA 630 -2.012 7.013 5.492 371 HA ALA 630 HA ALA 630 0.637 6.447 6.199 372 HB1 ALA 630 3HB ALA 630 -1.860 6.480 7.880 373 HB2 ALA 630 1HB ALA 630 -0.696 7.779 7.655 374 HB3 ALA 630 2HB ALA 630 -0.231 6.324 8.533 375 H TYR 631 H TYR 631 -2.265 4.406 6.169 376 HA TYR 631 HA TYR 631 -1.139 2.077 7.246 377 HB2 TYR 631 1HB TYR 631 -3.627 2.520 6.642 378 HB3 TYR 631 2HB TYR 631 -3.182 1.989 5.024 379 HD1 TYR 631 HD1 TYR 631 -3.156 0.953 8.578 380 HD2 TYR 631 HD2 TYR 631 -3.179 -0.319 4.521 381 HE1 TYR 631 HE1 TYR 631 -3.497 -1.361 9.317 382 HE2 TYR 631 HE2 TYR 631 -3.515 -2.645 5.250 383 HH TYR 631 HH TYR 631 -4.331 -3.452 8.492 384 H ALA 632 H ALA 632 -1.200 3.291 3.921 385 HA ALA 632 HA ALA 632 0.069 1.149 2.650 386 HB1 ALA 632 3HB ALA 632 0.676 2.724 0.899 387 HB2 ALA 632 1HB ALA 632 0.352 4.081 1.977 388 HB3 ALA 632 2HB ALA 632 -0.969 3.041 1.447 389 H LYS 633 H LYS 633 1.521 4.109 4.023 390 HA LYS 633 HA LYS 633 4.178 3.406 3.769 391 HB2 LYS 633 1HB LYS 633 2.675 5.380 5.201 392 HB3 LYS 633 2HB LYS 633 3.944 4.760 6.239 393 HG2 LYS 633 1HG LYS 633 4.744 6.701 5.062 394 HG3 LYS 633 2HG LYS 633 5.588 5.266 4.465 395 HD2 LYS 633 1HD LYS 633 5.048 6.412 2.516 396 HD3 LYS 633 2HD LYS 633 3.762 5.214 2.650 397 HE2 LYS 633 1HE LYS 633 2.775 7.314 2.057 398 HE3 LYS 633 2HE LYS 633 2.340 6.947 3.724 399 HZ1 LYS 633 3HZ LYS 633 3.980 8.481 4.502 400 HZ2 LYS 633 1HZ LYS 633 3.018 9.278 3.364 401 HZ3 LYS 633 2HZ LYS 633 4.567 8.746 2.940 402 H LYS 634 H LYS 634 1.917 2.505 6.356 403 HA LYS 634 HA LYS 634 3.751 1.274 8.062 404 HB2 LYS 634 1HB LYS 634 0.886 0.516 7.477 405 HB3 LYS 634 2HB LYS 634 1.831 -0.140 8.804 406 HG2 LYS 634 1HG LYS 634 2.098 2.157 9.689 407 HG3 LYS 634 2HG LYS 634 1.029 2.731 8.410 408 HD2 LYS 634 1HD LYS 634 -0.413 2.488 10.209 409 HD3 LYS 634 2HD LYS 634 -0.631 0.975 9.333 410 HE2 LYS 634 1HE LYS 634 1.237 1.314 11.675 411 HE3 LYS 634 2HE LYS 634 -0.420 0.740 11.821 412 HZ1 LYS 634 3HZ LYS 634 0.997 -1.134 11.764 413 HZ2 LYS 634 1HZ LYS 634 1.818 -0.584 10.393 414 HZ3 LYS 634 2HZ LYS 634 0.208 -1.083 10.273 415 H VAL 635 H VAL 635 1.841 -0.187 5.439 416 HA VAL 635 HA VAL 635 3.025 -2.686 5.410 417 HB VAL 635 HB VAL 635 1.775 -1.041 3.228 418 HG11 VAL 635 1HG1 VAL 635 1.903 -2.989 1.735 419 HG12 VAL 635 2HG1 VAL 635 2.927 -3.811 2.908 420 HG13 VAL 635 3HG1 VAL 635 3.503 -2.349 2.110 421 HG21 VAL 635 3HG2 VAL 635 1.008 -3.666 4.498 422 HG22 VAL 635 1HG2 VAL 635 0.048 -2.737 3.348 423 HG23 VAL 635 2HG2 VAL 635 0.360 -2.091 4.960 424 H GLU 636 H GLU 636 4.032 0.166 3.494 425 HA GLU 636 HA GLU 636 6.212 -1.079 2.267 426 HB2 GLU 636 1HB GLU 636 6.951 1.010 1.508 427 HB3 GLU 636 2HB GLU 636 5.214 1.167 1.637 428 HG2 GLU 636 1HG GLU 636 5.776 3.143 2.554 429 HG3 GLU 636 2HG GLU 636 5.906 2.181 4.022 430 H GLY 637 H GLY 637 6.080 0.607 5.376 431 HA2 GLY 637 1HA GLY 637 8.825 0.437 5.982 432 HA3 GLY 637 2HA GLY 637 7.533 0.538 7.169 433 H ASP 638 H ASP 638 6.177 -1.811 6.766 434 HA ASP 638 HA ASP 638 7.792 -3.671 8.140 435 HB2 ASP 638 1HB ASP 638 5.330 -3.609 8.310 436 HB3 ASP 638 2HB ASP 638 5.210 -4.171 6.647 437 H MET 639 H MET 639 6.807 -3.414 4.772 438 HA MET 639 HA MET 639 8.005 -5.785 3.824 439 HB2 MET 639 1HB MET 639 7.637 -3.181 2.301 440 HB3 MET 639 2HB MET 639 7.966 -4.755 1.586 441 HG2 MET 639 1HG MET 639 5.493 -4.036 3.152 442 HG3 MET 639 2HG MET 639 5.591 -4.087 1.388 443 HE1 MET 639 3HE MET 639 3.378 -5.684 3.037 444 HE2 MET 639 1HE MET 639 3.404 -7.199 2.134 445 HE3 MET 639 2HE MET 639 3.548 -5.663 1.280 446 H TYR 640 H TYR 640 9.295 -2.609 4.453 447 HA TYR 640 HA TYR 640 11.579 -2.610 2.931 448 HB2 TYR 640 1HB TYR 640 10.703 -0.704 4.348 449 HB3 TYR 640 2HB TYR 640 11.485 -1.465 5.728 450 HD1 TYR 640 HD1 TYR 640 12.835 -1.240 2.272 451 HD2 TYR 640 HD2 TYR 640 13.082 0.212 6.273 452 HE1 TYR 640 HE1 TYR 640 14.896 -0.048 1.713 453 HE2 TYR 640 HE2 TYR 640 15.151 1.403 5.714 454 HH TYR 640 HH TYR 640 16.898 1.423 4.125 455 H GLU 641 H GLU 641 11.151 -4.220 6.061 456 HA GLU 641 HA GLU 641 13.919 -4.952 6.329 457 HB2 GLU 641 1HB GLU 641 11.401 -5.900 7.639 458 HB3 GLU 641 2HB GLU 641 12.874 -6.865 7.815 459 HG2 GLU 641 1HG GLU 641 12.842 -5.438 9.724 460 HG3 GLU 641 2HG GLU 641 13.972 -4.645 8.618 461 H SER 642 H SER 642 11.062 -6.660 5.206 462 HA SER 642 HA SER 642 12.289 -9.052 4.407 463 HB2 SER 642 1HB SER 642 9.808 -8.581 4.758 464 HB3 SER 642 2HB SER 642 9.815 -7.874 3.145 465 HG SER 642 HG SER 642 11.012 -10.221 2.966 466 H ALA 643 H ALA 643 11.817 -6.015 2.802 467 HA ALA 643 HA ALA 643 12.304 -6.578 0.140 468 HB1 ALA 643 3HB ALA 643 13.095 -4.067 1.581 469 HB2 ALA 643 1HB ALA 643 11.460 -4.453 1.044 470 HB3 ALA 643 2HB ALA 643 12.752 -4.252 -0.140 471 H ASN 644 H ASN 644 14.303 -7.939 1.841 472 HA ASN 644 HA ASN 644 16.861 -6.627 1.338 473 HB2 ASN 644 1HB ASN 644 16.376 -8.162 3.383 474 HB3 ASN 644 2HB ASN 644 16.461 -9.509 2.246 475 HD21 ASN 644 1HD2 ASN 644 18.465 -6.596 2.131 476 HD22 ASN 644 2HD2 ASN 644 19.968 -7.388 2.472 477 H SER 645 H SER 645 14.658 -8.221 -0.473 478 HA SER 645 HA SER 645 16.629 -8.906 -2.517 479 HB2 SER 645 1HB SER 645 14.217 -10.625 -1.876 480 HB3 SER 645 2HB SER 645 15.496 -10.978 -3.035 481 HG SER 645 HG SER 645 16.933 -11.244 -1.342 482 H ARG 646 H ARG 646 16.048 -8.074 -4.475 483 HA ARG 646 HA ARG 646 14.036 -6.168 -4.730 484 HB2 ARG 646 1HB ARG 646 15.466 -7.756 -6.862 485 HB3 ARG 646 2HB ARG 646 14.429 -6.381 -7.202 486 HG2 ARG 646 1HG ARG 646 16.869 -6.232 -5.453 487 HG3 ARG 646 2HG ARG 646 16.879 -5.899 -7.184 488 HD2 ARG 646 1HD ARG 646 15.286 -4.432 -5.085 489 HD3 ARG 646 2HD ARG 646 16.720 -3.837 -5.913 490 HE ARG 646 HE ARG 646 14.399 -4.539 -7.544 491 HH11 ARG 646 1HH1 ARG 646 16.458 -2.041 -6.190 492 HH12 ARG 646 2HH1 ARG 646 15.779 -0.780 -7.163 493 HH21 ARG 646 1HH2 ARG 646 13.513 -2.881 -8.818 494 HH22 ARG 646 2HH2 ARG 646 14.102 -1.257 -8.658 495 H ASP 647 H ASP 647 14.072 -9.520 -5.869 496 HA ASP 647 HA ASP 647 11.553 -9.502 -7.109 497 HB2 ASP 647 1HB ASP 647 13.197 -11.261 -7.527 498 HB3 ASP 647 2HB ASP 647 13.060 -11.812 -5.859 499 H GLU 648 H GLU 648 12.531 -10.235 -3.813 500 HA GLU 648 HA GLU 648 10.054 -11.222 -2.900 501 HB2 GLU 648 1HB GLU 648 12.328 -11.406 -1.755 502 HB3 GLU 648 2HB GLU 648 12.065 -9.762 -1.180 503 HG2 GLU 648 1HG GLU 648 11.428 -11.262 0.551 504 HG3 GLU 648 2HG GLU 648 9.953 -10.554 -0.111 505 H TYR 649 H TYR 649 11.500 -7.988 -2.743 506 HA TYR 649 HA TYR 649 9.567 -6.705 -1.235 507 HB2 TYR 649 1HB TYR 649 11.804 -5.783 -1.965 508 HB3 TYR 649 2HB TYR 649 11.079 -5.433 -3.529 509 HD1 TYR 649 HD2 TYR 649 8.985 -4.979 -0.572 510 HD2 TYR 649 HD1 TYR 649 11.737 -3.080 -3.204 511 HE1 TYR 649 HE2 TYR 649 8.257 -2.782 0.251 512 HE2 TYR 649 HE1 TYR 649 11.023 -0.884 -2.378 513 HH TYR 649 HH TYR 649 8.963 0.091 -1.293 514 H TYR 650 H TYR 650 9.690 -6.948 -4.824 515 HA TYR 650 HA TYR 650 7.309 -5.558 -5.251 516 HB2 TYR 650 1HB TYR 650 9.027 -7.394 -6.869 517 HB3 TYR 650 2HB TYR 650 7.496 -6.825 -7.490 518 HD1 TYR 650 HD2 TYR 650 10.848 -5.774 -6.400 519 HD2 TYR 650 HD1 TYR 650 7.204 -4.575 -8.241 520 HE1 TYR 650 HE2 TYR 650 11.911 -3.681 -7.129 521 HE2 TYR 650 HE1 TYR 650 8.259 -2.480 -8.976 522 HH TYR 650 HH TYR 650 10.137 -1.046 -8.342 523 H HIS 651 H HIS 651 7.998 -8.961 -4.641 524 HA HIS 651 HA HIS 651 5.520 -9.963 -5.636 525 HB2 HIS 651 1HB HIS 651 7.618 -11.309 -5.373 526 HB3 HIS 651 2HB HIS 651 7.385 -11.245 -3.630 527 HD1 HIS 651 HD1 HIS 651 6.236 -13.225 -2.711 528 HD2 HIS 651 HD2 HIS 651 5.188 -12.536 -6.673 529 HE1 HIS 651 HE1 HIS 651 4.699 -15.109 -3.338 530 HE2 HIS 651 HE2 HIS 651 4.150 -14.726 -5.768 531 H LEU 652 H LEU 652 6.734 -9.024 -2.465 532 HA LEU 652 HA LEU 652 4.562 -9.909 -0.915 533 HB2 LEU 652 1HB LEU 652 6.413 -7.575 -0.443 534 HB3 LEU 652 2HB LEU 652 5.380 -8.313 0.765 535 HG LEU 652 HG LEU 652 7.602 -9.779 -0.651 536 HD11 LEU 652 1HD1 LEU 652 8.547 -7.954 0.618 537 HD12 LEU 652 2HD1 LEU 652 8.858 -9.481 1.445 538 HD13 LEU 652 3HD1 LEU 652 7.589 -8.404 2.029 539 HD21 LEU 652 3HD2 LEU 652 5.856 -11.220 0.246 540 HD22 LEU 652 1HD2 LEU 652 5.989 -10.425 1.814 541 HD23 LEU 652 2HD2 LEU 652 7.337 -11.375 1.190 542 H LEU 653 H LEU 653 5.277 -6.686 -2.225 543 HA LEU 653 HA LEU 653 2.898 -5.450 -1.421 544 HB2 LEU 653 1HB LEU 653 4.822 -4.895 -3.661 545 HB3 LEU 653 2HB LEU 653 3.396 -3.903 -3.416 546 HG LEU 653 HG LEU 653 5.226 -4.325 -1.097 547 HD11 LEU 653 1HD1 LEU 653 6.837 -3.781 -2.737 548 HD12 LEU 653 2HD1 LEU 653 6.482 -2.282 -1.880 549 HD13 LEU 653 3HD1 LEU 653 5.784 -2.578 -3.472 550 HD21 LEU 653 3HD2 LEU 653 3.696 -1.918 -2.077 551 HD22 LEU 653 1HD2 LEU 653 4.496 -2.105 -0.517 552 HD23 LEU 653 2HD2 LEU 653 3.082 -3.087 -0.905 553 H ALA 654 H ALA 654 3.698 -7.170 -4.427 554 HA ALA 654 HA ALA 654 1.332 -6.794 -5.827 555 HB1 ALA 654 3HB ALA 654 3.340 -7.874 -6.751 556 HB2 ALA 654 1HB ALA 654 1.885 -8.826 -7.035 557 HB3 ALA 654 2HB ALA 654 3.013 -9.299 -5.766 558 H GLU 655 H GLU 655 2.124 -9.260 -3.417 559 HA GLU 655 HA GLU 655 -0.264 -10.725 -3.535 560 HB2 GLU 655 1HB GLU 655 1.409 -11.772 -2.255 561 HB3 GLU 655 2HB GLU 655 1.703 -10.318 -1.294 562 HG2 GLU 655 1HG GLU 655 -0.547 -10.635 -0.266 563 HG3 GLU 655 2HG GLU 655 -0.688 -12.144 -1.165 564 H LYS 656 H LYS 656 0.569 -7.894 -1.601 565 HA LYS 656 HA LYS 656 -1.806 -7.857 -0.073 566 HB2 LYS 656 1HB LYS 656 0.094 -5.599 -0.718 567 HB3 LYS 656 2HB LYS 656 -1.146 -5.558 0.527 568 HG2 LYS 656 1HG LYS 656 1.239 -7.397 0.449 569 HG3 LYS 656 2HG LYS 656 1.023 -6.000 1.505 570 HD2 LYS 656 1HD LYS 656 -0.929 -7.094 2.528 571 HD3 LYS 656 2HD LYS 656 -0.676 -8.497 1.488 572 HE2 LYS 656 1HE LYS 656 1.302 -7.444 3.507 573 HE3 LYS 656 2HE LYS 656 0.230 -8.819 3.758 574 HZ1 LYS 656 3HZ LYS 656 2.491 -9.462 3.100 575 HZ2 LYS 656 1HZ LYS 656 2.291 -8.662 1.626 576 HZ3 LYS 656 2HZ LYS 656 1.331 -10.006 1.994 577 H ILE 657 H ILE 657 -0.897 -6.280 -3.113 578 HA ILE 657 HA ILE 657 -3.222 -4.693 -3.342 579 HB ILE 657 HB ILE 657 -1.557 -5.814 -5.622 580 HG12 ILE 657 1HG1 ILE 657 -1.252 -3.203 -4.115 581 HG13 ILE 657 2HG1 ILE 657 -0.197 -4.598 -3.927 582 HG21 ILE 657 1HG2 ILE 657 -2.383 -3.881 -6.861 583 HG22 ILE 657 2HG2 ILE 657 -3.320 -3.363 -5.459 584 HG23 ILE 657 3HG2 ILE 657 -3.728 -4.867 -6.288 585 HD11 ILE 657 3HD1 ILE 657 -0.575 -2.997 -6.446 586 HD12 ILE 657 1HD1 ILE 657 0.488 -4.392 -6.259 587 HD13 ILE 657 2HD1 ILE 657 0.807 -2.913 -5.353 588 H TYR 658 H TYR 658 -2.456 -7.993 -4.438 589 HA TYR 658 HA TYR 658 -4.925 -8.474 -5.730 590 HB2 TYR 658 1HB TYR 658 -2.853 -9.955 -5.890 591 HB3 TYR 658 2HB TYR 658 -3.325 -10.623 -4.329 592 HD1 TYR 658 HD2 TYR 658 -5.496 -9.726 -7.247 593 HD2 TYR 658 HD1 TYR 658 -3.919 -12.845 -4.794 594 HE1 TYR 658 HE2 TYR 658 -6.970 -11.351 -8.349 595 HE2 TYR 658 HE1 TYR 658 -5.394 -14.455 -5.893 596 HH TYR 658 HH TYR 658 -7.526 -14.456 -7.138 597 H LYS 659 H LYS 659 -3.924 -8.808 -2.342 598 HA LYS 659 HA LYS 659 -6.186 -10.083 -1.348 599 HB2 LYS 659 1HB LYS 659 -3.961 -9.479 -0.207 600 HB3 LYS 659 2HB LYS 659 -4.688 -7.909 0.097 601 HG2 LYS 659 1HG LYS 659 -4.903 -9.338 2.020 602 HG3 LYS 659 2HG LYS 659 -6.491 -8.985 1.338 603 HD2 LYS 659 1HD LYS 659 -6.339 -11.320 1.941 604 HD3 LYS 659 2HD LYS 659 -6.461 -11.168 0.199 605 HE2 LYS 659 1HE LYS 659 -4.076 -11.522 -0.025 606 HE3 LYS 659 2HE LYS 659 -3.891 -11.570 1.727 607 HZ1 LYS 659 3HZ LYS 659 -5.463 -13.501 0.109 608 HZ2 LYS 659 1HZ LYS 659 -5.250 -13.557 1.786 609 HZ3 LYS 659 2HZ LYS 659 -3.930 -13.787 0.756 610 H ILE 660 H ILE 660 -5.465 -6.632 -1.686 611 HA ILE 660 HA ILE 660 -7.948 -5.619 -0.880 612 HB ILE 660 HB ILE 660 -5.570 -4.599 -2.209 613 HG12 ILE 660 1HG1 ILE 660 -7.628 -3.214 -0.500 614 HG13 ILE 660 2HG1 ILE 660 -6.296 -4.175 0.130 615 HG21 ILE 660 1HG2 ILE 660 -6.696 -2.542 -3.115 616 HG22 ILE 660 2HG2 ILE 660 -8.229 -3.404 -2.997 617 HG23 ILE 660 3HG2 ILE 660 -6.963 -4.000 -4.066 618 HD11 ILE 660 3HD1 ILE 660 -4.698 -2.654 -0.835 619 HD12 ILE 660 1HD1 ILE 660 -5.844 -1.766 0.167 620 HD13 ILE 660 2HD1 ILE 660 -5.997 -1.731 -1.590 621 H GLN 661 H GLN 661 -6.879 -6.884 -3.979 622 HA GLN 661 HA GLN 661 -9.094 -5.881 -5.492 623 HB2 GLN 661 1HB GLN 661 -7.198 -8.169 -6.109 624 HB3 GLN 661 2HB GLN 661 -8.445 -7.600 -7.206 625 HG2 GLN 661 1HG GLN 661 -7.359 -5.361 -7.217 626 HG3 GLN 661 2HG GLN 661 -6.074 -6.019 -6.211 627 HE21 GLN 661 1HE2 GLN 661 -4.595 -7.437 -7.090 628 HE22 GLN 661 2HE2 GLN 661 -4.419 -7.658 -8.794 629 H LYS 662 H LYS 662 -8.373 -8.855 -3.784 630 HA LYS 662 HA LYS 662 -10.714 -10.262 -4.471 631 HB2 LYS 662 1HB LYS 662 -8.832 -11.445 -3.540 632 HB3 LYS 662 2HB LYS 662 -8.877 -10.462 -2.083 633 HG2 LYS 662 1HG LYS 662 -11.111 -11.413 -1.573 634 HG3 LYS 662 2HG LYS 662 -10.925 -12.479 -2.966 635 HD2 LYS 662 1HD LYS 662 -8.976 -13.503 -1.967 636 HD3 LYS 662 2HD LYS 662 -9.043 -12.374 -0.612 637 HE2 LYS 662 1HE LYS 662 -9.983 -14.570 -0.038 638 HE3 LYS 662 2HE LYS 662 -11.177 -13.280 0.080 639 HZ1 LYS 662 3HZ LYS 662 -12.046 -15.275 -1.005 640 HZ2 LYS 662 1HZ LYS 662 -10.897 -15.119 -2.235 641 HZ3 LYS 662 2HZ LYS 662 -12.089 -13.934 -2.030 642 H GLU 663 H GLU 663 -9.880 -8.166 -1.741 643 HA GLU 663 HA GLU 663 -12.192 -8.644 -0.221 644 HB2 GLU 663 1HB GLU 663 -10.327 -6.268 -0.256 645 HB3 GLU 663 2HB GLU 663 -11.600 -6.495 0.934 646 HG2 GLU 663 1HG GLU 663 -9.236 -8.311 0.496 647 HG3 GLU 663 2HG GLU 663 -9.446 -7.168 1.819 648 H LEU 664 H LEU 664 -11.412 -5.981 -2.449 649 HA LEU 664 HA LEU 664 -13.818 -4.574 -2.185 650 HB2 LEU 664 1HB LEU 664 -12.069 -4.796 -4.639 651 HB3 LEU 664 2HB LEU 664 -13.272 -3.555 -4.349 652 HG LEU 664 HG LEU 664 -10.782 -3.957 -2.690 653 HD11 LEU 664 1HD1 LEU 664 -9.992 -1.909 -3.771 654 HD12 LEU 664 2HD1 LEU 664 -11.420 -1.909 -4.805 655 HD13 LEU 664 3HD1 LEU 664 -10.235 -3.210 -4.936 656 HD21 LEU 664 3HD2 LEU 664 -12.827 -1.743 -2.694 657 HD22 LEU 664 1HD2 LEU 664 -11.352 -1.794 -1.727 658 HD23 LEU 664 2HD2 LEU 664 -12.635 -2.971 -1.443 659 H GLU 665 H GLU 665 -12.894 -7.144 -4.423 660 HA GLU 665 HA GLU 665 -15.283 -7.140 -5.934 661 HB2 GLU 665 1HB GLU 665 -13.023 -8.146 -6.534 662 HB3 GLU 665 2HB GLU 665 -13.453 -9.495 -5.495 663 HG2 GLU 665 1HG GLU 665 -13.907 -10.040 -7.793 664 HG3 GLU 665 2HG GLU 665 -15.420 -9.924 -6.894 665 H GLU 666 H GLU 666 -14.160 -9.148 -3.237 666 HA GLU 666 HA GLU 666 -16.388 -10.878 -3.195 667 HB2 GLU 666 1HB GLU 666 -14.142 -11.380 -2.233 668 HB3 GLU 666 2HB GLU 666 -14.498 -10.257 -0.927 669 HG2 GLU 666 1HG GLU 666 -16.351 -11.626 -0.206 670 HG3 GLU 666 2HG GLU 666 -16.102 -12.722 -1.564 671 H LYS 667 H LYS 667 -15.650 -7.927 -1.351 672 HA LYS 667 HA LYS 667 -17.910 -8.121 0.323 673 HB2 LYS 667 1HB LYS 667 -17.501 -5.873 0.982 674 HB3 LYS 667 2HB LYS 667 -15.941 -6.645 0.756 675 HG2 LYS 667 1HG LYS 667 -15.797 -5.567 -1.476 676 HG3 LYS 667 2HG LYS 667 -17.291 -4.705 -1.105 677 HD2 LYS 667 1HD LYS 667 -14.678 -4.525 0.392 678 HD3 LYS 667 2HD LYS 667 -15.396 -3.280 -0.632 679 HE2 LYS 667 1HE LYS 667 -16.606 -4.362 1.910 680 HE3 LYS 667 2HE LYS 667 -15.721 -2.846 1.772 681 HZ1 LYS 667 3HZ LYS 667 -18.126 -2.526 1.721 682 HZ2 LYS 667 1HZ LYS 667 -18.244 -3.489 0.327 683 HZ3 LYS 667 2HZ LYS 667 -17.408 -2.021 0.275 684 H ARG 668 H ARG 668 -17.448 -6.650 -2.847 685 HA ARG 668 HA ARG 668 -19.895 -5.305 -2.934 686 HB2 ARG 668 1HB ARG 668 -17.803 -4.990 -4.405 687 HB3 ARG 668 2HB ARG 668 -18.468 -6.301 -5.367 688 HG2 ARG 668 1HG ARG 668 -20.601 -4.838 -5.448 689 HG3 ARG 668 2HG ARG 668 -19.514 -3.535 -4.968 690 HD2 ARG 668 1HD ARG 668 -19.507 -5.169 -7.472 691 HD3 ARG 668 2HD ARG 668 -19.513 -3.419 -7.293 692 HE ARG 668 HE ARG 668 -17.177 -3.609 -6.547 693 HH11 ARG 668 1HH1 ARG 668 -18.598 -6.223 -8.394 694 HH12 ARG 668 2HH1 ARG 668 -17.065 -6.878 -8.888 695 HH21 ARG 668 1HH2 ARG 668 -15.157 -4.456 -7.218 696 HH22 ARG 668 2HH2 ARG 668 -15.113 -5.878 -8.224 697 H ARG 669 H ARG 669 -19.061 -8.465 -3.260 698 HA ARG 669 HA ARG 669 -20.744 -9.642 -5.044 699 HB2 ARG 669 1HB ARG 669 -19.033 -10.840 -3.794 700 HB3 ARG 669 2HB ARG 669 -19.975 -10.678 -2.322 701 HG2 ARG 669 1HG ARG 669 -21.730 -12.081 -3.301 702 HG3 ARG 669 2HG ARG 669 -20.753 -12.260 -4.762 703 HD2 ARG 669 1HD ARG 669 -20.505 -14.187 -3.262 704 HD3 ARG 669 2HD ARG 669 -18.985 -13.320 -3.474 705 HE ARG 669 HE ARG 669 -20.483 -12.469 -1.175 706 HH11 ARG 669 1HH1 ARG 669 -18.127 -14.771 -2.361 707 HH12 ARG 669 2HH1 ARG 669 -17.477 -15.109 -0.791 708 HH21 ARG 669 1HH2 ARG 669 -19.613 -12.889 0.895 709 HH22 ARG 669 2HH2 ARG 669 -18.319 -14.033 1.068 710 H SER 670 H SER 670 -21.625 -8.524 -1.805 711 HA SER 670 HA SER 670 -24.329 -9.497 -2.318 712 HB2 SER 670 1HB SER 670 -24.004 -10.101 -0.160 713 HB3 SER 670 2HB SER 670 -22.853 -8.818 0.173 714 HG SER 670 HG SER 670 -24.479 -7.464 0.646 715 H ARG 671 H ARG 671 -22.866 -6.330 -1.274 716 HA ARG 671 HA ARG 671 -23.992 -5.018 -3.487 717 HB2 ARG 671 1HB ARG 671 -25.817 -5.408 -1.382 718 HB3 ARG 671 2HB ARG 671 -25.325 -3.723 -1.283 719 HG2 ARG 671 1HG ARG 671 -26.470 -5.102 -3.702 720 HG3 ARG 671 2HG ARG 671 -27.310 -3.964 -2.649 721 HD2 ARG 671 1HD ARG 671 -25.774 -2.201 -3.287 722 HD3 ARG 671 2HD ARG 671 -24.854 -3.330 -4.277 723 HE ARG 671 HE ARG 671 -27.504 -3.375 -5.154 724 HH11 ARG 671 1HH1 ARG 671 -24.818 -1.149 -5.016 725 HH12 ARG 671 2HH1 ARG 671 -25.277 -0.287 -6.445 726 HH21 ARG 671 1HH2 ARG 671 -28.115 -2.263 -7.057 727 HH22 ARG 671 2HH2 ARG 671 -27.164 -0.925 -7.616 728 H LEU 672 H LEU 672 -21.700 -4.487 -3.338 729 HA LEU 672 HA LEU 672 -20.159 -2.787 -3.256 730 HB2 LEU 672 1HB LEU 672 -22.458 -1.373 -1.943 731 HB3 LEU 672 2HB LEU 672 -20.919 -0.584 -2.234 732 HG LEU 672 HG LEU 672 -22.753 -1.707 -4.362 733 HD11 LEU 672 1HD1 LEU 672 -23.196 0.624 -4.909 734 HD12 LEU 672 2HD1 LEU 672 -22.190 1.143 -3.558 735 HD13 LEU 672 3HD1 LEU 672 -23.685 0.258 -3.254 736 HD21 LEU 672 3HD2 LEU 672 -21.275 -0.494 -5.916 737 HD22 LEU 672 1HD2 LEU 672 -20.438 -1.791 -5.066 738 HD23 LEU 672 2HD2 LEU 672 -20.199 -0.116 -4.571 739 H1 ASP 840 1H ASP 840 3.690 -6.704 11.338 740 HA ASP 840 HA ASP 840 0.883 -7.537 11.438 741 HB2 ASP 840 1HB ASP 840 2.225 -5.487 13.228 742 HB3 ASP 840 2HB ASP 840 0.479 -5.610 13.037 743 H ALA 841 H ALA 841 1.997 -6.868 9.108 744 HA ALA 841 HA ALA 841 1.591 -4.026 8.618 745 HB1 ALA 841 3HB ALA 841 2.421 -4.476 6.381 746 HB2 ALA 841 1HB ALA 841 2.410 -6.209 6.707 747 HB3 ALA 841 2HB ALA 841 3.511 -5.153 7.592 748 H GLY 842 H GLY 842 -0.147 -6.931 8.456 749 HA2 GLY 842 1HA GLY 842 -2.506 -6.858 8.126 750 HA3 GLY 842 2HA GLY 842 -2.265 -5.607 6.915 751 H ASN 843 H ASN 843 -2.021 -9.026 7.619 752 HA ASN 843 HA ASN 843 -1.197 -9.874 5.043 753 HB2 ASN 843 1HB ASN 843 -2.623 -11.250 7.312 754 HB3 ASN 843 2HB ASN 843 -2.439 -12.054 5.757 755 HD21 ASN 843 1HD2 ASN 843 0.013 -9.859 6.902 756 HD22 ASN 843 2HD2 ASN 843 1.195 -11.064 7.258 757 H ILE 844 H ILE 844 -4.328 -9.273 6.501 758 HA ILE 844 HA ILE 844 -5.423 -9.050 3.782 759 HB ILE 844 HB ILE 844 -7.100 -9.696 6.221 760 HG12 ILE 844 1HG1 ILE 844 -6.078 -11.560 4.057 761 HG13 ILE 844 2HG1 ILE 844 -5.614 -11.593 5.755 762 HG21 ILE 844 1HG2 ILE 844 -8.268 -8.543 4.418 763 HG22 ILE 844 2HG2 ILE 844 -8.824 -10.212 4.558 764 HG23 ILE 844 3HG2 ILE 844 -7.713 -9.758 3.267 765 HD11 ILE 844 3HD1 ILE 844 -7.198 -13.350 5.249 766 HD12 ILE 844 1HD1 ILE 844 -8.354 -12.161 4.650 767 HD13 ILE 844 2HD1 ILE 844 -7.912 -12.178 6.358 768 H LEU 845 H LEU 845 -6.250 -7.043 3.290 769 HA LEU 845 HA LEU 845 -5.686 -4.990 5.215 770 HB2 LEU 845 1HB LEU 845 -6.707 -4.852 2.379 771 HB3 LEU 845 2HB LEU 845 -6.360 -3.442 3.364 772 HG LEU 845 HG LEU 845 -4.011 -4.819 3.562 773 HD11 LEU 845 1HD1 LEU 845 -3.361 -5.668 1.447 774 HD12 LEU 845 2HD1 LEU 845 -4.871 -5.159 0.694 775 HD13 LEU 845 3HD1 LEU 845 -4.873 -6.463 1.885 776 HD21 LEU 845 3HD2 LEU 845 -4.252 -2.442 3.122 777 HD22 LEU 845 1HD2 LEU 845 -4.764 -2.787 1.471 778 HD23 LEU 845 2HD2 LEU 845 -3.123 -3.180 1.984 779 HA PRO 846 HA PRO 846 -9.376 -4.641 7.442 780 HB2 PRO 846 1HB PRO 846 -9.023 -1.729 6.862 781 HB3 PRO 846 2HB PRO 846 -9.365 -2.534 8.397 782 HG2 PRO 846 1HG PRO 846 -6.912 -1.706 7.841 783 HG3 PRO 846 2HG PRO 846 -7.181 -3.259 8.656 784 HD2 PRO 846 1HD PRO 846 -6.364 -2.707 5.855 785 HD3 PRO 846 2HD PRO 846 -5.977 -4.088 6.900 786 H SER 847 H SER 847 -11.364 -4.981 6.891 787 HA SER 847 HA SER 847 -12.540 -4.500 4.422 788 HB2 SER 847 1HB SER 847 -14.698 -4.946 5.711 789 HB3 SER 847 2HB SER 847 -13.457 -6.198 5.790 790 HG SER 847 HG SER 847 -14.606 -4.980 7.801 791 H ASP 848 H ASP 848 -12.583 -2.596 7.389 792 HA ASP 848 HA ASP 848 -14.642 -0.816 6.808 793 HB2 ASP 848 1HB ASP 848 -13.443 -1.022 9.002 794 HB3 ASP 848 2HB ASP 848 -12.106 -0.116 8.299 795 H ILE 849 H ILE 849 -11.169 -0.493 6.056 796 HA ILE 849 HA ILE 849 -11.385 2.033 4.802 797 HB ILE 849 HB ILE 849 -9.296 -0.046 4.100 798 HG12 ILE 849 1HG1 ILE 849 -9.470 0.172 6.567 799 HG13 ILE 849 2HG1 ILE 849 -7.941 0.781 5.949 800 HG21 ILE 849 1HG2 ILE 849 -9.239 2.975 4.123 801 HG22 ILE 849 2HG2 ILE 849 -9.322 1.944 2.694 802 HG23 ILE 849 3HG2 ILE 849 -7.880 1.926 3.713 803 HD11 ILE 849 3HD1 ILE 849 -10.307 2.455 6.778 804 HD12 ILE 849 1HD1 ILE 849 -8.768 3.070 6.169 805 HD13 ILE 849 2HD1 ILE 849 -8.826 2.205 7.704 806 H MET 850 H MET 850 -11.580 -1.274 3.621 807 HA MET 850 HA MET 850 -11.783 -0.741 0.863 808 HB2 MET 850 1HB MET 850 -12.967 -3.022 2.465 809 HB3 MET 850 2HB MET 850 -12.810 -3.003 0.718 810 HG2 MET 850 1HG MET 850 -10.508 -2.900 2.658 811 HG3 MET 850 2HG MET 850 -11.098 -4.359 1.867 812 HE1 MET 850 3HE MET 850 -8.535 -1.560 1.718 813 HE2 MET 850 1HE MET 850 -9.904 -0.672 1.050 814 HE3 MET 850 2HE MET 850 -8.520 -1.048 0.031 815 H ASP 851 H ASP 851 -14.204 -0.941 3.416 816 HA ASP 851 HA ASP 851 -16.501 -0.846 1.821 817 HB2 ASP 851 1HB ASP 851 -15.918 -0.223 4.694 818 HB3 ASP 851 2HB ASP 851 -17.430 0.379 4.009 819 H PHE 852 H PHE 852 -14.458 1.771 3.014 820 HA PHE 852 HA PHE 852 -16.220 3.885 2.655 821 HB2 PHE 852 1HB PHE 852 -14.064 4.109 3.821 822 HB3 PHE 852 2HB PHE 852 -13.216 3.927 2.290 823 HD1 PHE 852 HD1 PHE 852 -16.224 5.946 3.171 824 HD2 PHE 852 HD2 PHE 852 -12.164 5.963 1.880 825 HE1 PHE 852 HE1 PHE 852 -16.343 8.375 2.825 826 HE2 PHE 852 HE2 PHE 852 -12.285 8.390 1.527 827 HZ PHE 852 HZ PHE 852 -14.375 9.601 2.002 828 H VAL 853 H VAL 853 -13.872 2.579 0.293 829 HA VAL 853 HA VAL 853 -14.574 4.441 -1.714 830 HB VAL 853 HB VAL 853 -12.428 3.288 -1.787 831 HG11 VAL 853 1HG1 VAL 853 -12.244 0.966 -2.539 832 HG12 VAL 853 2HG1 VAL 853 -13.997 0.812 -2.481 833 HG13 VAL 853 3HG1 VAL 853 -13.090 1.077 -0.996 834 HG21 VAL 853 3HG2 VAL 853 -13.312 4.240 -3.835 835 HG22 VAL 853 1HG2 VAL 853 -14.167 2.739 -4.188 836 HG23 VAL 853 2HG2 VAL 853 -12.406 2.770 -4.188 837 H LEU 854 H LEU 854 -15.721 1.141 -1.067 838 HA LEU 854 HA LEU 854 -17.374 0.979 -3.362 839 HB2 LEU 854 1HB LEU 854 -17.203 -0.540 -0.803 840 HB3 LEU 854 2HB LEU 854 -18.633 -0.735 -1.789 841 HG LEU 854 HG LEU 854 -16.949 -2.518 -2.130 842 HD11 LEU 854 1HD1 LEU 854 -18.555 -1.804 -3.937 843 HD12 LEU 854 2HD1 LEU 854 -17.109 -2.651 -4.476 844 HD13 LEU 854 3HD1 LEU 854 -17.217 -0.903 -4.655 845 HD21 LEU 854 3HD2 LEU 854 -14.950 -1.123 -1.798 846 HD22 LEU 854 1HD2 LEU 854 -15.256 -0.359 -3.357 847 HD23 LEU 854 2HD2 LEU 854 -14.886 -2.081 -3.279 848 H LYS 855 H LYS 855 -17.970 2.130 -0.063 849 HA LYS 855 HA LYS 855 -20.819 2.285 -0.559 850 HB2 LYS 855 1HB LYS 855 -19.916 1.626 1.660 851 HB3 LYS 855 2HB LYS 855 -19.282 3.253 1.858 852 HG2 LYS 855 1HG LYS 855 -21.421 2.868 3.070 853 HG3 LYS 855 2HG LYS 855 -21.498 4.181 1.892 854 HD2 LYS 855 1HD LYS 855 -23.499 2.768 1.819 855 HD3 LYS 855 2HD LYS 855 -22.613 2.722 0.298 856 HE2 LYS 855 1HE LYS 855 -23.347 0.496 0.864 857 HE3 LYS 855 2HE LYS 855 -21.592 0.582 0.994 858 HZ1 LYS 855 3HZ LYS 855 -23.490 0.745 3.272 859 HZ2 LYS 855 1HZ LYS 855 -21.803 0.778 3.384 860 HZ3 LYS 855 2HZ LYS 855 -22.585 -0.617 2.845 861 H ASN 856 H ASN 856 -18.139 4.588 -0.432 862 HA ASN 856 HA ASN 856 -20.023 6.805 -0.748 863 HB2 ASN 856 1HB ASN 856 -18.077 7.064 0.775 864 HB3 ASN 856 2HB ASN 856 -16.995 6.835 -0.592 865 HD21 ASN 856 1HD2 ASN 856 -20.005 8.664 -0.683 866 HD22 ASN 856 2HD2 ASN 856 -19.261 10.205 -0.936 867 H THR 857 H THR 857 -20.494 7.675 -2.658 868 HA THR 857 HA THR 857 -19.039 6.704 -5.008 869 HB THR 857 HB THR 857 -21.774 7.981 -4.959 870 HG1 THR 857 HG1 THR 857 -20.986 5.253 -4.714 871 HG21 THR 857 1HG2 THR 857 -20.399 6.226 -7.000 872 HG22 THR 857 2HG2 THR 857 -20.642 7.967 -7.136 873 HG23 THR 857 3HG2 THR 857 -22.031 6.882 -7.132 874 HA PRO 858 HA PRO 858 -17.660 11.056 -4.917 875 HB2 PRO 858 1HB PRO 858 -15.481 10.100 -6.604 876 HB3 PRO 858 2HB PRO 858 -15.406 10.814 -4.993 877 HG2 PRO 858 1HG PRO 858 -14.846 8.205 -5.465 878 HG3 PRO 858 2HG PRO 858 -15.541 8.779 -3.938 879 HD2 PRO 858 1HD PRO 858 -16.901 7.472 -6.268 880 HD3 PRO 858 2HD PRO 858 -17.140 7.205 -4.528 Start of MODEL 10 1 H1 GLY 586 1H GLY 586 27.095 -5.761 -0.328 2 HA2 GLY 586 1HA GLY 586 27.483 -7.104 -2.727 3 HA3 GLY 586 2HA GLY 586 28.587 -7.780 -1.538 4 H VAL 587 H VAL 587 27.143 -9.650 -2.146 5 HA VAL 587 HA VAL 587 25.475 -11.123 -1.758 6 HB VAL 587 HB VAL 587 24.968 -11.603 0.614 7 HG11 VAL 587 1HG1 VAL 587 26.933 -12.552 -0.430 8 HG12 VAL 587 2HG1 VAL 587 27.263 -12.168 1.259 9 HG13 VAL 587 3HG1 VAL 587 27.870 -11.116 -0.018 10 HG21 VAL 587 3HG2 VAL 587 24.943 -9.363 1.538 11 HG22 VAL 587 1HG2 VAL 587 26.664 -9.185 1.198 12 HG23 VAL 587 2HG2 VAL 587 26.117 -10.370 2.384 13 H ARG 588 H ARG 588 23.274 -11.388 -0.233 14 HA ARG 588 HA ARG 588 21.438 -9.751 -1.544 15 HB2 ARG 588 1HB ARG 588 19.701 -10.737 -0.085 16 HB3 ARG 588 2HB ARG 588 20.754 -11.945 -0.794 17 HG2 ARG 588 1HG ARG 588 20.527 -12.736 1.338 18 HG3 ARG 588 2HG ARG 588 22.008 -11.784 1.490 19 HD2 ARG 588 1HD ARG 588 20.844 -9.988 2.527 20 HD3 ARG 588 2HD ARG 588 19.277 -10.695 2.136 21 HE ARG 588 HE ARG 588 20.779 -12.485 3.727 22 HH11 ARG 588 1HH1 ARG 588 19.072 -9.433 3.987 23 HH12 ARG 588 2HH1 ARG 588 18.585 -9.712 5.631 24 HH21 ARG 588 1HH2 ARG 588 20.158 -12.830 5.887 25 HH22 ARG 588 2HH2 ARG 588 19.218 -11.630 6.717 26 H LYS 589 H LYS 589 22.829 -9.357 1.718 27 HA LYS 589 HA LYS 589 21.293 -7.323 2.682 28 HB2 LYS 589 1HB LYS 589 23.051 -6.807 4.133 29 HB3 LYS 589 2HB LYS 589 23.537 -8.414 3.605 30 HG2 LYS 589 1HG LYS 589 25.032 -7.371 1.935 31 HG3 LYS 589 2HG LYS 589 24.604 -5.791 2.590 32 HD2 LYS 589 1HD LYS 589 25.502 -6.421 4.758 33 HD3 LYS 589 2HD LYS 589 25.867 -8.039 4.158 34 HE2 LYS 589 1HE LYS 589 27.887 -6.736 4.156 35 HE3 LYS 589 2HE LYS 589 27.395 -7.026 2.490 36 HZ1 LYS 589 3HZ LYS 589 28.099 -4.747 2.796 37 HZ2 LYS 589 1HZ LYS 589 26.955 -4.521 4.023 38 HZ3 LYS 589 2HZ LYS 589 26.446 -4.793 2.436 39 H GLY 590 H GLY 590 20.814 -5.283 2.174 40 HA2 GLY 590 1HA GLY 590 22.223 -3.282 1.085 41 HA3 GLY 590 2HA GLY 590 21.797 -4.231 -0.333 42 H TRP 591 H TRP 591 20.489 -2.459 2.403 43 HA TRP 591 HA TRP 591 17.772 -2.606 1.449 44 HB2 TRP 591 1HB TRP 591 18.377 -0.542 3.455 45 HB3 TRP 591 2HB TRP 591 17.212 -1.855 3.525 46 HD1 TRP 591 HD1 TRP 591 17.807 -3.825 5.109 47 HE1 TRP 591 HE1 TRP 591 19.879 -4.472 6.500 48 HE3 TRP 591 HE3 TRP 591 21.143 -0.394 3.294 49 HZ2 TRP 591 HZ2 TRP 591 22.571 -3.665 6.771 50 HZ3 TRP 591 HZ3 TRP 591 23.440 -0.401 4.169 51 HH2 TRP 591 HH2 TRP 591 24.136 -2.005 5.871 52 H HIS 592 H HIS 592 19.887 0.163 2.190 53 HA HIS 592 HA HIS 592 18.262 1.803 0.395 54 HB2 HIS 592 1HB HIS 592 20.240 2.527 2.556 55 HB3 HIS 592 2HB HIS 592 19.530 3.716 1.474 56 HD1 HIS 592 HD1 HIS 592 19.023 2.240 4.704 57 HD2 HIS 592 HD2 HIS 592 16.543 3.641 1.677 58 HE1 HIS 592 HE1 HIS 592 16.778 2.583 5.773 59 HE2 HIS 592 HE2 HIS 592 15.257 3.246 3.883 60 H GLU 593 H GLU 593 20.797 -0.089 -0.088 61 HA GLU 593 HA GLU 593 22.652 1.882 -1.103 62 HB2 GLU 593 1HB GLU 593 24.248 0.140 -1.255 63 HB3 GLU 593 2HB GLU 593 23.364 -0.101 0.247 64 HG2 GLU 593 1HG GLU 593 22.078 -1.871 -0.722 65 HG3 GLU 593 2HG GLU 593 22.792 -1.574 -2.304 66 H HIS 594 H HIS 594 20.522 -0.636 -2.417 67 HA HIS 594 HA HIS 594 21.147 0.419 -5.067 68 HB2 HIS 594 1HB HIS 594 20.827 -1.907 -5.989 69 HB3 HIS 594 2HB HIS 594 22.298 -1.662 -5.054 70 HD1 HIS 594 HD1 HIS 594 22.785 -3.445 -3.418 71 HD2 HIS 594 HD2 HIS 594 18.728 -3.251 -4.316 72 HE1 HIS 594 HE1 HIS 594 21.732 -5.378 -2.212 73 HE2 HIS 594 HE2 HIS 594 19.329 -5.361 -2.942 74 H VAL 595 H VAL 595 19.073 1.020 -3.184 75 HA VAL 595 HA VAL 595 16.855 0.702 -5.072 76 HB VAL 595 HB VAL 595 16.700 0.241 -2.091 77 HG11 VAL 595 1HG1 VAL 595 14.430 0.910 -3.970 78 HG12 VAL 595 2HG1 VAL 595 14.948 1.826 -2.554 79 HG13 VAL 595 3HG1 VAL 595 14.221 0.232 -2.355 80 HG21 VAL 595 3HG2 VAL 595 15.548 -1.796 -2.714 81 HG22 VAL 595 1HG2 VAL 595 17.097 -1.701 -3.551 82 HG23 VAL 595 2HG2 VAL 595 15.605 -1.336 -4.415 83 H THR 596 H THR 596 15.908 2.626 -5.519 84 HA THR 596 HA THR 596 16.971 4.959 -4.158 85 HB THR 596 HB THR 596 17.025 5.145 -6.519 86 HG1 THR 596 HG1 THR 596 16.278 7.116 -6.469 87 HG21 THR 596 1HG2 THR 596 15.413 3.417 -7.089 88 HG22 THR 596 2HG2 THR 596 15.038 4.910 -7.945 89 HG23 THR 596 3HG2 THR 596 14.093 4.440 -6.534 90 H GLN 597 H GLN 597 15.574 6.718 -3.486 91 HA GLN 597 HA GLN 597 13.529 5.877 -1.738 92 HB2 GLN 597 1HB GLN 597 14.899 7.929 -1.424 93 HB3 GLN 597 2HB GLN 597 14.069 8.665 -2.787 94 HG2 GLN 597 1HG GLN 597 13.176 9.444 -0.660 95 HG3 GLN 597 2HG GLN 597 11.962 8.566 -1.589 96 HE21 GLN 597 1HE2 GLN 597 11.244 6.583 -0.858 97 HE22 GLN 597 2HE2 GLN 597 11.548 6.015 0.738 98 H ASP 598 H ASP 598 13.549 7.238 -4.951 99 HA ASP 598 HA ASP 598 10.823 7.791 -5.262 100 HB2 ASP 598 1HB ASP 598 12.503 8.571 -6.858 101 HB3 ASP 598 2HB ASP 598 12.813 6.917 -7.365 102 H LEU 599 H LEU 599 12.623 4.783 -5.815 103 HA LEU 599 HA LEU 599 10.572 3.218 -6.832 104 HB2 LEU 599 1HB LEU 599 13.057 2.638 -6.531 105 HB3 LEU 599 2HB LEU 599 12.644 2.210 -4.882 106 HG LEU 599 HG LEU 599 11.047 0.525 -5.735 107 HD11 LEU 599 1HD1 LEU 599 11.220 -0.079 -8.142 108 HD12 LEU 599 2HD1 LEU 599 12.135 1.410 -8.393 109 HD13 LEU 599 3HD1 LEU 599 10.466 1.484 -7.836 110 HD21 LEU 599 3HD2 LEU 599 12.749 -1.050 -6.602 111 HD22 LEU 599 1HD2 LEU 599 13.274 -0.196 -5.151 112 HD23 LEU 599 2HD2 LEU 599 13.884 0.294 -6.732 113 H ARG 600 H ARG 600 11.474 3.893 -3.489 114 HA ARG 600 HA ARG 600 9.584 2.212 -2.247 115 HB2 ARG 600 1HB ARG 600 10.934 4.736 -1.260 116 HB3 ARG 600 2HB ARG 600 10.004 3.643 -0.242 117 HG2 ARG 600 1HG ARG 600 12.306 2.600 -1.830 118 HG3 ARG 600 2HG ARG 600 12.586 3.459 -0.314 119 HD2 ARG 600 1HD ARG 600 10.701 1.127 -0.560 120 HD3 ARG 600 2HD ARG 600 12.405 0.946 -0.147 121 HE ARG 600 HE ARG 600 11.682 2.675 1.706 122 HH11 ARG 600 1HH1 ARG 600 9.861 -0.095 0.556 123 HH12 ARG 600 2HH1 ARG 600 9.182 -0.445 2.120 124 HH21 ARG 600 1HH2 ARG 600 10.777 2.217 3.749 125 HH22 ARG 600 2HH2 ARG 600 9.688 0.877 3.925 126 H SER 601 H SER 601 9.496 5.705 -2.973 127 HA SER 601 HA SER 601 6.936 6.122 -1.844 128 HB2 SER 601 1HB SER 601 7.060 8.292 -3.204 129 HB3 SER 601 2HB SER 601 8.320 8.020 -2.001 130 HG SER 601 HG SER 601 8.482 8.072 -4.771 131 H HIS 602 H HIS 602 8.024 5.413 -5.127 132 HA HIS 602 HA HIS 602 5.666 5.871 -6.532 133 HB2 HIS 602 1HB HIS 602 7.968 5.217 -7.451 134 HB3 HIS 602 2HB HIS 602 7.511 3.549 -7.117 135 HD1 HIS 602 HD1 HIS 602 6.816 6.387 -9.435 136 HD2 HIS 602 HD2 HIS 602 5.605 2.455 -8.852 137 HE1 HIS 602 HE1 HIS 602 5.557 5.755 -11.516 138 HE2 HIS 602 HE2 HIS 602 4.983 3.320 -11.209 139 H LEU 603 H LEU 603 6.778 2.896 -4.972 140 HA LEU 603 HA LEU 603 4.526 1.342 -5.620 141 HB2 LEU 603 1HB LEU 603 6.459 0.976 -3.335 142 HB3 LEU 603 2HB LEU 603 5.354 -0.233 -3.955 143 HG LEU 603 HG LEU 603 7.561 1.010 -5.597 144 HD11 LEU 603 1HD1 LEU 603 8.773 -1.063 -5.301 145 HD12 LEU 603 2HD1 LEU 603 7.505 -1.679 -4.244 146 HD13 LEU 603 3HD1 LEU 603 8.477 -0.297 -3.741 147 HD21 LEU 603 3HD2 LEU 603 7.116 -0.889 -7.101 148 HD22 LEU 603 1HD2 LEU 603 5.727 0.185 -6.939 149 HD23 LEU 603 2HD2 LEU 603 5.756 -1.354 -6.080 150 H VAL 604 H VAL 604 5.178 3.490 -2.919 151 HA VAL 604 HA VAL 604 3.090 2.593 -1.223 152 HB VAL 604 HB VAL 604 4.497 5.264 -1.409 153 HG11 VAL 604 1HG1 VAL 604 3.452 5.855 0.718 154 HG12 VAL 604 2HG1 VAL 604 2.507 4.368 0.676 155 HG13 VAL 604 3HG1 VAL 604 2.233 5.619 -0.537 156 HG21 VAL 604 3HG2 VAL 604 5.833 3.364 -0.616 157 HG22 VAL 604 1HG2 VAL 604 4.632 3.060 0.640 158 HG23 VAL 604 2HG2 VAL 604 5.565 4.556 0.657 159 H HIS 605 H HIS 605 3.283 5.037 -3.776 160 HA HIS 605 HA HIS 605 0.656 6.042 -3.480 161 HB2 HIS 605 1HB HIS 605 2.444 5.978 -5.916 162 HB3 HIS 605 2HB HIS 605 0.911 6.838 -5.845 163 HD1 HIS 605 HD1 HIS 605 3.932 8.014 -6.173 164 HD2 HIS 605 HD2 HIS 605 1.450 8.214 -2.842 165 HE1 HIS 605 HE1 HIS 605 4.736 9.990 -4.845 166 HE2 HIS 605 HE2 HIS 605 3.283 10.039 -2.790 167 H LYS 606 H LYS 606 2.010 3.381 -5.351 168 HA LYS 606 HA LYS 606 -0.290 2.748 -6.833 169 HB2 LYS 606 1HB LYS 606 1.910 0.901 -5.886 170 HB3 LYS 606 2HB LYS 606 0.739 0.532 -7.145 171 HG2 LYS 606 1HG LYS 606 1.620 2.519 -8.400 172 HG3 LYS 606 2HG LYS 606 2.910 2.608 -7.202 173 HD2 LYS 606 1HD LYS 606 3.678 1.405 -9.155 174 HD3 LYS 606 2HD LYS 606 3.568 0.303 -7.781 175 HE2 LYS 606 1HE LYS 606 1.564 -0.661 -8.603 176 HE3 LYS 606 2HE LYS 606 1.366 0.611 -9.808 177 HZ1 LYS 606 3HZ LYS 606 3.269 -0.206 -10.982 178 HZ2 LYS 606 1HZ LYS 606 2.189 -1.485 -10.746 179 HZ3 LYS 606 2HZ LYS 606 3.580 -1.364 -9.792 180 H LEU 607 H LEU 607 0.801 1.695 -3.640 181 HA LEU 607 HA LEU 607 -1.283 -0.156 -3.188 182 HB2 LEU 607 1HB LEU 607 0.939 0.184 -1.919 183 HB3 LEU 607 2HB LEU 607 0.077 1.416 -1.019 184 HG LEU 607 HG LEU 607 -0.969 -1.399 -1.187 185 HD11 LEU 607 1HD1 LEU 607 1.318 -1.545 -0.367 186 HD12 LEU 607 2HD1 LEU 607 0.163 -1.856 0.929 187 HD13 LEU 607 3HD1 LEU 607 0.979 -0.297 0.831 188 HD21 LEU 607 3HD2 LEU 607 -2.455 0.392 -0.369 189 HD22 LEU 607 1HD2 LEU 607 -1.279 0.759 0.891 190 HD23 LEU 607 2HD2 LEU 607 -2.085 -0.809 0.867 191 H VAL 608 H VAL 608 -0.937 3.302 -2.441 192 HA VAL 608 HA VAL 608 -3.428 3.689 -1.193 193 HB VAL 608 HB VAL 608 -1.799 5.600 -2.888 194 HG11 VAL 608 1HG1 VAL 608 -3.045 7.400 -1.859 195 HG12 VAL 608 2HG1 VAL 608 -4.004 6.244 -0.937 196 HG13 VAL 608 3HG1 VAL 608 -4.154 6.309 -2.692 197 HG21 VAL 608 3HG2 VAL 608 -1.033 6.480 -0.726 198 HG22 VAL 608 1HG2 VAL 608 -0.585 4.789 -0.953 199 HG23 VAL 608 2HG2 VAL 608 -1.937 5.209 0.097 200 H GLN 609 H GLN 609 -2.421 3.965 -4.563 201 HA GLN 609 HA GLN 609 -4.811 4.674 -5.771 202 HB2 GLN 609 1HB GLN 609 -2.636 4.648 -6.902 203 HB3 GLN 609 2HB GLN 609 -2.593 2.896 -6.809 204 HG2 GLN 609 1HG GLN 609 -3.182 3.620 -9.032 205 HG3 GLN 609 2HG GLN 609 -4.530 2.767 -8.283 206 HE21 GLN 609 1HE2 GLN 609 -3.695 6.065 -7.463 207 HE22 GLN 609 2HE2 GLN 609 -5.082 6.789 -8.188 208 H ALA 610 H ALA 610 -3.600 1.484 -4.858 209 HA ALA 610 HA ALA 610 -5.601 -0.082 -6.009 210 HB1 ALA 610 3HB ALA 610 -4.909 -1.825 -4.486 211 HB2 ALA 610 1HB ALA 610 -4.092 -0.645 -3.462 212 HB3 ALA 610 2HB ALA 610 -3.492 -0.965 -5.089 213 H ILE 611 H ILE 611 -5.508 1.598 -2.882 214 HA ILE 611 HA ILE 611 -7.957 0.393 -1.988 215 HB ILE 611 HB ILE 611 -6.475 2.842 -0.884 216 HG12 ILE 611 1HG1 ILE 611 -6.531 0.197 0.574 217 HG13 ILE 611 2HG1 ILE 611 -5.373 0.458 -0.741 218 HG21 ILE 611 1HG2 ILE 611 -8.640 1.281 0.524 219 HG22 ILE 611 2HG2 ILE 611 -8.874 2.829 -0.291 220 HG23 ILE 611 3HG2 ILE 611 -7.797 2.716 1.096 221 HD11 ILE 611 3HD1 ILE 611 -4.399 0.935 1.423 222 HD12 ILE 611 1HD1 ILE 611 -5.662 2.121 1.750 223 HD13 ILE 611 2HD1 ILE 611 -4.497 2.406 0.457 224 H PHE 612 H PHE 612 -7.072 3.290 -3.748 225 HA PHE 612 HA PHE 612 -9.839 3.999 -4.095 226 HB2 PHE 612 1HB PHE 612 -9.078 4.909 -1.821 227 HB3 PHE 612 2HB PHE 612 -8.060 6.014 -2.731 228 HD1 PHE 612 HD2 PHE 612 -11.538 4.850 -3.366 229 HD2 PHE 612 HD1 PHE 612 -8.967 8.110 -2.445 230 HE1 PHE 612 HE2 PHE 612 -13.434 6.398 -3.571 231 HE2 PHE 612 HE1 PHE 612 -10.862 9.664 -2.636 232 HZ PHE 612 HZ PHE 612 -13.100 8.810 -3.204 233 HA PRO 613 HA PRO 613 -7.218 5.019 -7.642 234 HB2 PRO 613 1HB PRO 613 -9.138 4.741 -9.557 235 HB3 PRO 613 2HB PRO 613 -8.291 3.367 -8.833 236 HG2 PRO 613 1HG PRO 613 -11.039 4.399 -8.319 237 HG3 PRO 613 2HG PRO 613 -10.439 2.733 -8.285 238 HD2 PRO 613 1HD PRO 613 -10.939 4.310 -6.040 239 HD3 PRO 613 2HD PRO 613 -9.893 2.867 -6.083 240 H THR 614 H THR 614 -10.412 6.466 -7.052 241 HA THR 614 HA THR 614 -9.985 8.636 -8.870 242 HB THR 614 HB THR 614 -12.067 9.579 -7.832 243 HG1 THR 614 HG1 THR 614 -11.540 8.331 -5.774 244 HG21 THR 614 1HG2 THR 614 -12.193 8.101 -9.778 245 HG22 THR 614 2HG2 THR 614 -13.555 7.818 -8.692 246 HG23 THR 614 3HG2 THR 614 -12.200 6.690 -8.721 247 HA PRO 615 HA PRO 615 -7.774 11.039 -5.713 248 HB2 PRO 615 1HB PRO 615 -6.851 12.724 -7.872 249 HB3 PRO 615 2HB PRO 615 -5.921 11.559 -6.912 250 HG2 PRO 615 1HG PRO 615 -6.445 11.207 -9.579 251 HG3 PRO 615 2HG PRO 615 -6.180 9.858 -8.448 252 HD2 PRO 615 1HD PRO 615 -8.775 11.027 -9.451 253 HD3 PRO 615 2HD PRO 615 -8.308 9.313 -9.303 254 H ASP 616 H ASP 616 -10.170 11.619 -5.368 255 HA ASP 616 HA ASP 616 -11.310 13.897 -6.619 256 HB2 ASP 616 1HB ASP 616 -12.703 12.280 -5.371 257 HB3 ASP 616 2HB ASP 616 -11.858 12.690 -3.882 258 HA PRO 617 HA PRO 617 -8.697 17.067 -5.003 259 HB2 PRO 617 1HB PRO 617 -10.544 19.159 -5.230 260 HB3 PRO 617 2HB PRO 617 -9.469 18.586 -6.515 261 HG2 PRO 617 1HG PRO 617 -12.340 17.950 -6.004 262 HG3 PRO 617 2HG PRO 617 -11.499 18.210 -7.546 263 HD2 PRO 617 1HD PRO 617 -12.135 15.747 -6.717 264 HD3 PRO 617 2HD PRO 617 -10.608 16.061 -7.582 265 H ALA 618 H ALA 618 -11.940 16.595 -3.679 266 HA ALA 618 HA ALA 618 -11.334 18.186 -1.332 267 HB1 ALA 618 3HB ALA 618 -13.709 16.426 -1.928 268 HB2 ALA 618 1HB ALA 618 -13.617 18.166 -2.191 269 HB3 ALA 618 2HB ALA 618 -13.556 17.517 -0.553 270 H ALA 619 H ALA 619 -12.029 14.774 -2.034 271 HA ALA 619 HA ALA 619 -11.416 13.678 0.437 272 HB1 ALA 619 3HB ALA 619 -12.445 12.466 -1.466 273 HB2 ALA 619 1HB ALA 619 -11.125 11.575 -0.707 274 HB3 ALA 619 2HB ALA 619 -10.860 12.404 -2.237 275 H LEU 620 H LEU 620 -9.296 14.878 -2.011 276 HA LEU 620 HA LEU 620 -6.910 13.545 -1.266 277 HB2 LEU 620 1HB LEU 620 -7.668 15.288 -3.264 278 HB3 LEU 620 2HB LEU 620 -6.582 16.267 -2.300 279 HG LEU 620 HG LEU 620 -5.398 15.218 -4.148 280 HD11 LEU 620 1HD1 LEU 620 -4.170 15.603 -2.073 281 HD12 LEU 620 2HD1 LEU 620 -3.576 14.180 -2.926 282 HD13 LEU 620 3HD1 LEU 620 -4.611 13.990 -1.512 283 HD21 LEU 620 3HD2 LEU 620 -5.123 12.802 -4.285 284 HD22 LEU 620 1HD2 LEU 620 -6.820 13.255 -4.430 285 HD23 LEU 620 2HD2 LEU 620 -6.210 12.589 -2.914 286 H LYS 621 H LYS 621 -8.573 16.362 -0.059 287 HA LYS 621 HA LYS 621 -6.372 16.863 1.832 288 HB2 LYS 621 1HB LYS 621 -8.697 18.638 1.031 289 HB3 LYS 621 2HB LYS 621 -7.493 19.045 2.249 290 HG2 LYS 621 1HG LYS 621 -5.741 18.871 0.505 291 HG3 LYS 621 2HG LYS 621 -7.012 18.613 -0.690 292 HD2 LYS 621 1HD LYS 621 -6.390 20.930 -0.736 293 HD3 LYS 621 2HD LYS 621 -7.997 20.801 -0.024 294 HE2 LYS 621 1HE LYS 621 -6.615 22.388 1.207 295 HE3 LYS 621 2HE LYS 621 -7.030 20.998 2.209 296 HZ1 LYS 621 3HZ LYS 621 -4.448 21.361 0.784 297 HZ2 LYS 621 1HZ LYS 621 -4.847 20.081 1.813 298 HZ3 LYS 621 2HZ LYS 621 -4.696 21.645 2.433 299 H ASP 622 H ASP 622 -8.664 14.828 1.844 300 HA ASP 622 HA ASP 622 -10.028 15.577 4.318 301 HB2 ASP 622 1HB ASP 622 -11.435 14.626 2.580 302 HB3 ASP 622 2HB ASP 622 -10.386 13.219 2.449 303 H ARG 623 H ARG 623 -9.499 14.806 6.229 304 HA ARG 623 HA ARG 623 -7.030 13.652 6.726 305 HB2 ARG 623 1HB ARG 623 -9.469 13.769 8.502 306 HB3 ARG 623 2HB ARG 623 -7.865 13.313 9.054 307 HG2 ARG 623 1HG ARG 623 -8.713 16.007 7.978 308 HG3 ARG 623 2HG ARG 623 -8.259 15.602 9.631 309 HD2 ARG 623 1HD ARG 623 -5.989 15.152 8.942 310 HD3 ARG 623 2HD ARG 623 -6.419 15.405 7.251 311 HE ARG 623 HE ARG 623 -7.007 17.677 8.889 312 HH11 ARG 623 1HH1 ARG 623 -4.455 16.046 7.136 313 HH12 ARG 623 2HH1 ARG 623 -3.533 17.490 6.879 314 HH21 ARG 623 1HH2 ARG 623 -5.796 19.574 8.561 315 HH22 ARG 623 2HH2 ARG 623 -4.288 19.498 7.709 316 H ARG 624 H ARG 624 -10.187 12.084 6.416 317 HA ARG 624 HA ARG 624 -9.577 9.531 7.250 318 HB2 ARG 624 1HB ARG 624 -11.816 10.048 6.700 319 HB3 ARG 624 2HB ARG 624 -11.383 10.575 5.083 320 HG2 ARG 624 1HG ARG 624 -10.777 8.210 4.561 321 HG3 ARG 624 2HG ARG 624 -11.445 7.758 6.133 322 HD2 ARG 624 1HD ARG 624 -13.042 7.474 4.248 323 HD3 ARG 624 2HD ARG 624 -13.616 8.567 5.507 324 HE ARG 624 HE ARG 624 -12.510 10.298 3.807 325 HH11 ARG 624 1HH1 ARG 624 -14.655 7.585 3.178 326 HH12 ARG 624 2HH1 ARG 624 -15.410 8.350 1.817 327 HH21 ARG 624 1HH2 ARG 624 -13.503 11.279 2.022 328 HH22 ARG 624 2HH2 ARG 624 -14.755 10.444 1.160 329 H MET 625 H MET 625 -8.911 11.026 4.081 330 HA MET 625 HA MET 625 -7.921 8.672 2.884 331 HB2 MET 625 1HB MET 625 -8.500 10.450 1.406 332 HB3 MET 625 2HB MET 625 -7.405 11.570 2.203 333 HG2 MET 625 1HG MET 625 -5.476 10.273 1.429 334 HG3 MET 625 2HG MET 625 -6.568 9.126 0.652 335 HE1 MET 625 3HE MET 625 -7.884 9.555 -1.524 336 HE2 MET 625 1HE MET 625 -8.051 11.130 -2.299 337 HE3 MET 625 2HE MET 625 -8.775 10.846 -0.717 338 H GLU 626 H GLU 626 -6.396 11.148 4.859 339 HA GLU 626 HA GLU 626 -3.723 10.468 4.463 340 HB2 GLU 626 1HB GLU 626 -5.131 11.557 6.906 341 HB3 GLU 626 2HB GLU 626 -3.383 11.429 6.764 342 HG2 GLU 626 1HG GLU 626 -5.172 13.047 4.964 343 HG3 GLU 626 2HG GLU 626 -4.182 13.683 6.280 344 H ASN 627 H ASN 627 -6.172 9.091 6.589 345 HA ASN 627 HA ASN 627 -4.477 7.418 8.095 346 HB2 ASN 627 1HB ASN 627 -7.417 7.267 7.445 347 HB3 ASN 627 2HB ASN 627 -6.622 6.060 8.444 348 HD21 ASN 627 1HD2 ASN 627 -5.860 9.497 8.449 349 HD22 ASN 627 2HD2 ASN 627 -6.422 9.800 10.053 350 H LEU 628 H LEU 628 -6.339 6.809 5.123 351 HA LEU 628 HA LEU 628 -5.520 4.080 4.933 352 HB2 LEU 628 1HB LEU 628 -6.622 3.968 2.884 353 HB3 LEU 628 2HB LEU 628 -7.545 5.181 3.741 354 HG LEU 628 HG LEU 628 -6.037 6.855 2.366 355 HD11 LEU 628 1HD1 LEU 628 -4.556 5.221 1.375 356 HD12 LEU 628 2HD1 LEU 628 -5.551 5.969 0.125 357 HD13 LEU 628 3HD1 LEU 628 -5.932 4.348 0.700 358 HD21 LEU 628 3HD2 LEU 628 -8.222 5.280 1.022 359 HD22 LEU 628 1HD2 LEU 628 -7.770 6.957 0.722 360 HD23 LEU 628 2HD2 LEU 628 -8.512 6.501 2.258 361 H VAL 629 H VAL 629 -4.159 7.094 3.689 362 HA VAL 629 HA VAL 629 -2.144 5.902 2.094 363 HB VAL 629 HB VAL 629 -2.073 8.570 3.524 364 HG11 VAL 629 1HG1 VAL 629 0.152 7.834 2.856 365 HG12 VAL 629 2HG1 VAL 629 -0.380 9.182 1.853 366 HG13 VAL 629 3HG1 VAL 629 -0.422 7.540 1.216 367 HG21 VAL 629 3HG2 VAL 629 -3.975 8.428 2.028 368 HG22 VAL 629 1HG2 VAL 629 -2.934 7.866 0.719 369 HG23 VAL 629 2HG2 VAL 629 -2.752 9.503 1.349 370 H ALA 630 H ALA 630 -2.299 6.865 5.482 371 HA ALA 630 HA ALA 630 0.340 6.361 6.197 372 HB1 ALA 630 3HB ALA 630 -0.473 6.206 8.495 373 HB2 ALA 630 1HB ALA 630 -2.130 6.092 7.901 374 HB3 ALA 630 2HB ALA 630 -1.200 7.563 7.637 375 H TYR 631 H TYR 631 -2.426 4.134 6.012 376 HA TYR 631 HA TYR 631 -1.183 1.891 7.127 377 HB2 TYR 631 1HB TYR 631 -3.593 1.927 6.633 378 HB3 TYR 631 2HB TYR 631 -3.245 1.945 4.907 379 HD1 TYR 631 HD1 TYR 631 -2.492 -0.097 7.951 380 HD2 TYR 631 HD2 TYR 631 -3.307 -0.075 3.778 381 HE1 TYR 631 HE1 TYR 631 -2.491 -2.557 7.940 382 HE2 TYR 631 HE2 TYR 631 -3.308 -2.526 3.756 383 HH TYR 631 HH TYR 631 -3.248 -4.395 6.673 384 H ALA 632 H ALA 632 -1.101 3.133 3.804 385 HA ALA 632 HA ALA 632 0.383 1.031 2.650 386 HB1 ALA 632 3HB ALA 632 -0.769 2.749 1.317 387 HB2 ALA 632 1HB ALA 632 0.933 2.614 0.878 388 HB3 ALA 632 2HB ALA 632 0.387 3.954 1.885 389 H LYS 633 H LYS 633 1.440 4.114 4.083 390 HA LYS 633 HA LYS 633 4.147 3.880 4.016 391 HB2 LYS 633 1HB LYS 633 2.395 4.808 6.275 392 HB3 LYS 633 2HB LYS 633 4.092 5.186 6.123 393 HG2 LYS 633 1HG LYS 633 1.803 6.115 4.412 394 HG3 LYS 633 2HG LYS 633 2.880 7.093 5.408 395 HD2 LYS 633 1HD LYS 633 4.749 6.497 3.917 396 HD3 LYS 633 2HD LYS 633 3.622 5.586 2.909 397 HE2 LYS 633 1HE LYS 633 4.026 7.781 1.953 398 HE3 LYS 633 2HE LYS 633 2.352 7.634 2.482 399 HZ1 LYS 633 3HZ LYS 633 4.508 8.980 4.018 400 HZ2 LYS 633 1HZ LYS 633 2.874 8.898 4.450 401 HZ3 LYS 633 2HZ LYS 633 3.345 9.772 3.082 402 H LYS 634 H LYS 634 2.026 2.678 6.592 403 HA LYS 634 HA LYS 634 3.945 1.408 8.149 404 HB2 LYS 634 1HB LYS 634 1.021 1.053 7.778 405 HB3 LYS 634 2HB LYS 634 1.883 -0.261 8.557 406 HG2 LYS 634 1HG LYS 634 1.109 1.046 10.317 407 HG3 LYS 634 2HG LYS 634 2.799 1.509 10.152 408 HD2 LYS 634 1HD LYS 634 0.674 3.073 8.745 409 HD3 LYS 634 2HD LYS 634 0.966 3.335 10.463 410 HE2 LYS 634 1HE LYS 634 3.062 3.542 8.302 411 HE3 LYS 634 2HE LYS 634 2.195 4.910 8.997 412 HZ1 LYS 634 3HZ LYS 634 3.114 4.270 11.177 413 HZ2 LYS 634 1HZ LYS 634 4.310 4.692 10.058 414 HZ3 LYS 634 2HZ LYS 634 4.031 3.066 10.423 415 H VAL 635 H VAL 635 2.001 0.020 5.515 416 HA VAL 635 HA VAL 635 3.142 -2.494 5.406 417 HB VAL 635 HB VAL 635 1.972 -0.777 3.233 418 HG11 VAL 635 1HG1 VAL 635 2.051 -2.719 1.733 419 HG12 VAL 635 2HG1 VAL 635 3.001 -3.601 2.928 420 HG13 VAL 635 3HG1 VAL 635 3.672 -2.164 2.155 421 HG21 VAL 635 3HG2 VAL 635 1.085 -3.328 4.579 422 HG22 VAL 635 1HG2 VAL 635 0.211 -2.491 3.297 423 HG23 VAL 635 2HG2 VAL 635 0.431 -1.716 4.865 424 H GLU 636 H GLU 636 4.265 0.438 3.681 425 HA GLU 636 HA GLU 636 6.379 -0.768 2.320 426 HB2 GLU 636 1HB GLU 636 7.062 1.336 1.702 427 HB3 GLU 636 2HB GLU 636 5.436 1.716 2.246 428 HG2 GLU 636 1HG GLU 636 6.296 2.492 4.375 429 HG3 GLU 636 2HG GLU 636 7.926 2.016 3.914 430 H GLY 637 H GLY 637 6.284 0.595 5.581 431 HA2 GLY 637 1HA GLY 637 9.021 0.196 6.179 432 HA3 GLY 637 2HA GLY 637 7.733 0.381 7.359 433 H ASP 638 H ASP 638 6.172 -1.813 6.945 434 HA ASP 638 HA ASP 638 7.583 -3.773 8.377 435 HB2 ASP 638 1HB ASP 638 5.133 -3.467 8.483 436 HB3 ASP 638 2HB ASP 638 4.994 -4.072 6.834 437 H MET 639 H MET 639 6.531 -3.709 4.993 438 HA MET 639 HA MET 639 7.573 -6.197 4.215 439 HB2 MET 639 1HB MET 639 7.359 -3.705 2.490 440 HB3 MET 639 2HB MET 639 7.547 -5.354 1.902 441 HG2 MET 639 1HG MET 639 5.174 -4.301 3.438 442 HG3 MET 639 2HG MET 639 5.231 -4.522 1.684 443 HE1 MET 639 3HE MET 639 2.857 -7.411 2.529 444 HE2 MET 639 1HE MET 639 3.233 -6.087 1.420 445 HE3 MET 639 2HE MET 639 2.861 -5.746 3.114 446 H TYR 640 H TYR 640 9.061 -3.082 4.541 447 HA TYR 640 HA TYR 640 11.240 -3.298 2.903 448 HB2 TYR 640 1HB TYR 640 10.528 -1.267 4.301 449 HB3 TYR 640 2HB TYR 640 11.533 -1.951 5.576 450 HD1 TYR 640 HD2 TYR 640 12.126 -1.899 1.906 451 HD2 TYR 640 HD1 TYR 640 13.348 -0.445 5.719 452 HE1 TYR 640 HE2 TYR 640 14.085 -0.860 0.876 453 HE2 TYR 640 HE1 TYR 640 15.318 0.601 4.685 454 HH TYR 640 HH TYR 640 15.686 0.814 1.247 455 H GLU 641 H GLU 641 10.943 -4.753 6.095 456 HA GLU 641 HA GLU 641 13.718 -5.418 6.351 457 HB2 GLU 641 1HB GLU 641 11.225 -6.375 7.687 458 HB3 GLU 641 2HB GLU 641 12.701 -7.335 7.882 459 HG2 GLU 641 1HG GLU 641 12.516 -5.780 9.762 460 HG3 GLU 641 2HG GLU 641 13.846 -5.226 8.732 461 H SER 642 H SER 642 10.918 -7.340 5.309 462 HA SER 642 HA SER 642 12.381 -9.556 4.368 463 HB2 SER 642 1HB SER 642 9.689 -8.573 3.401 464 HB3 SER 642 2HB SER 642 10.324 -10.213 3.259 465 HG SER 642 HG SER 642 10.383 -10.237 5.597 466 H ALA 643 H ALA 643 11.318 -6.597 2.852 467 HA ALA 643 HA ALA 643 11.876 -7.052 0.176 468 HB1 ALA 643 3HB ALA 643 11.793 -4.681 -0.088 469 HB2 ALA 643 1HB ALA 643 12.123 -4.438 1.625 470 HB3 ALA 643 2HB ALA 643 10.598 -5.163 1.116 471 H ASN 644 H ASN 644 14.178 -7.871 1.937 472 HA ASN 644 HA ASN 644 16.278 -5.933 1.431 473 HB2 ASN 644 1HB ASN 644 16.082 -7.658 3.443 474 HB3 ASN 644 2HB ASN 644 16.842 -8.761 2.293 475 HD21 ASN 644 1HD2 ASN 644 17.390 -5.278 2.596 476 HD22 ASN 644 2HD2 ASN 644 19.053 -5.389 3.062 477 H SER 645 H SER 645 14.680 -7.945 -0.512 478 HA SER 645 HA SER 645 16.921 -8.120 -2.358 479 HB2 SER 645 1HB SER 645 15.072 -10.443 -1.768 480 HB3 SER 645 2HB SER 645 16.344 -10.420 -2.990 481 HG SER 645 HG SER 645 17.399 -9.673 -0.662 482 H ARG 646 H ARG 646 16.324 -7.896 -4.529 483 HA ARG 646 HA ARG 646 14.281 -6.052 -4.895 484 HB2 ARG 646 1HB ARG 646 15.662 -7.771 -6.959 485 HB3 ARG 646 2HB ARG 646 14.691 -6.355 -7.326 486 HG2 ARG 646 1HG ARG 646 17.169 -6.294 -5.617 487 HG3 ARG 646 2HG ARG 646 17.152 -5.974 -7.352 488 HD2 ARG 646 1HD ARG 646 15.665 -4.426 -5.235 489 HD3 ARG 646 2HD ARG 646 17.110 -3.895 -6.088 490 HE ARG 646 HE ARG 646 14.755 -4.532 -7.691 491 HH11 ARG 646 1HH1 ARG 646 16.856 -2.077 -6.322 492 HH12 ARG 646 2HH1 ARG 646 16.244 -0.815 -7.339 493 HH21 ARG 646 1HH2 ARG 646 13.950 -2.876 -9.016 494 HH22 ARG 646 2HH2 ARG 646 14.587 -1.269 -8.875 495 H ASP 647 H ASP 647 14.330 -9.466 -5.883 496 HA ASP 647 HA ASP 647 11.820 -9.461 -7.140 497 HB2 ASP 647 1HB ASP 647 13.505 -11.232 -7.480 498 HB3 ASP 647 2HB ASP 647 13.238 -11.796 -5.834 499 H GLU 648 H GLU 648 12.747 -10.217 -3.824 500 HA GLU 648 HA GLU 648 10.247 -11.172 -2.971 501 HB2 GLU 648 1HB GLU 648 12.418 -11.427 -1.734 502 HB3 GLU 648 2HB GLU 648 12.264 -9.744 -1.236 503 HG2 GLU 648 1HG GLU 648 11.500 -11.257 0.507 504 HG3 GLU 648 2HG GLU 648 10.173 -10.261 -0.091 505 H TYR 649 H TYR 649 11.654 -7.952 -3.012 506 HA TYR 649 HA TYR 649 9.808 -6.580 -1.467 507 HB2 TYR 649 1HB TYR 649 11.998 -5.700 -2.362 508 HB3 TYR 649 2HB TYR 649 11.194 -5.445 -3.907 509 HD1 TYR 649 HD2 TYR 649 9.164 -4.827 -0.965 510 HD2 TYR 649 HD1 TYR 649 11.939 -3.077 -3.676 511 HE1 TYR 649 HE2 TYR 649 8.462 -2.593 -0.234 512 HE2 TYR 649 HE1 TYR 649 11.247 -0.838 -2.945 513 HH TYR 649 HH TYR 649 9.151 0.187 -1.912 514 H TYR 650 H TYR 650 9.730 -7.062 -5.019 515 HA TYR 650 HA TYR 650 7.369 -5.639 -5.457 516 HB2 TYR 650 1HB TYR 650 8.920 -7.711 -6.968 517 HB3 TYR 650 2HB TYR 650 7.403 -7.093 -7.577 518 HD1 TYR 650 HD2 TYR 650 10.848 -6.156 -6.659 519 HD2 TYR 650 HD1 TYR 650 7.254 -4.935 -8.582 520 HE1 TYR 650 HE2 TYR 650 12.024 -4.223 -7.619 521 HE2 TYR 650 HE1 TYR 650 8.423 -3.001 -9.548 522 HH TYR 650 HH TYR 650 10.375 -1.642 -9.161 523 H HIS 651 H HIS 651 8.017 -8.951 -4.544 524 HA HIS 651 HA HIS 651 5.523 -10.071 -5.317 525 HB2 HIS 651 1HB HIS 651 7.338 -11.563 -5.095 526 HB3 HIS 651 2HB HIS 651 7.780 -10.913 -3.529 527 HD1 HIS 651 HD1 HIS 651 7.368 -12.503 -1.739 528 HD2 HIS 651 HD2 HIS 651 4.546 -12.853 -4.782 529 HE1 HIS 651 HE1 HIS 651 5.812 -14.349 -1.020 530 HE2 HIS 651 HE2 HIS 651 4.255 -14.681 -2.971 531 H LEU 652 H LEU 652 6.825 -8.824 -2.274 532 HA LEU 652 HA LEU 652 4.734 -9.611 -0.585 533 HB2 LEU 652 1HB LEU 652 6.504 -7.178 -0.359 534 HB3 LEU 652 2HB LEU 652 5.588 -7.904 0.946 535 HG LEU 652 HG LEU 652 7.812 -9.307 -0.532 536 HD11 LEU 652 1HD1 LEU 652 8.661 -7.360 0.674 537 HD12 LEU 652 2HD1 LEU 652 9.174 -8.866 1.436 538 HD13 LEU 652 3HD1 LEU 652 7.864 -7.922 2.145 539 HD21 LEU 652 3HD2 LEU 652 7.722 -10.852 1.370 540 HD22 LEU 652 1HD2 LEU 652 6.199 -10.817 0.483 541 HD23 LEU 652 2HD2 LEU 652 6.344 -9.964 2.019 542 H LEU 653 H LEU 653 5.302 -6.493 -2.171 543 HA LEU 653 HA LEU 653 2.937 -5.266 -1.287 544 HB2 LEU 653 1HB LEU 653 4.714 -4.721 -3.660 545 HB3 LEU 653 2HB LEU 653 3.350 -3.704 -3.239 546 HG LEU 653 HG LEU 653 5.340 -4.226 -1.098 547 HD11 LEU 653 1HD1 LEU 653 5.860 -2.488 -3.497 548 HD12 LEU 653 2HD1 LEU 653 6.836 -3.835 -2.916 549 HD13 LEU 653 3HD1 LEU 653 6.733 -2.350 -1.972 550 HD21 LEU 653 3HD2 LEU 653 3.329 -2.831 -0.755 551 HD22 LEU 653 1HD2 LEU 653 3.905 -1.732 -2.011 552 HD23 LEU 653 2HD2 LEU 653 4.829 -1.932 -0.522 553 H ALA 654 H ALA 654 3.679 -7.001 -4.307 554 HA ALA 654 HA ALA 654 1.290 -6.545 -5.661 555 HB1 ALA 654 3HB ALA 654 1.828 -8.545 -6.963 556 HB2 ALA 654 1HB ALA 654 3.048 -8.991 -5.770 557 HB3 ALA 654 2HB ALA 654 3.244 -7.521 -6.725 558 H GLU 655 H GLU 655 2.111 -9.107 -3.375 559 HA GLU 655 HA GLU 655 -0.277 -10.578 -3.590 560 HB2 GLU 655 1HB GLU 655 1.501 -11.666 -2.430 561 HB3 GLU 655 2HB GLU 655 1.670 -10.321 -1.295 562 HG2 GLU 655 1HG GLU 655 -0.397 -10.916 -0.231 563 HG3 GLU 655 2HG GLU 655 -0.731 -12.131 -1.465 564 H LYS 656 H LYS 656 0.558 -7.831 -1.534 565 HA LYS 656 HA LYS 656 -1.845 -7.749 -0.058 566 HB2 LYS 656 1HB LYS 656 0.192 -5.638 -0.733 567 HB3 LYS 656 2HB LYS 656 -1.211 -5.300 0.269 568 HG2 LYS 656 1HG LYS 656 0.797 -7.447 0.893 569 HG3 LYS 656 2HG LYS 656 0.902 -5.797 1.508 570 HD2 LYS 656 1HD LYS 656 -1.437 -7.654 1.952 571 HD3 LYS 656 2HD LYS 656 -0.134 -7.384 3.109 572 HE2 LYS 656 1HE LYS 656 -0.722 -4.978 3.147 573 HE3 LYS 656 2HE LYS 656 -2.078 -5.319 2.072 574 HZ1 LYS 656 3HZ LYS 656 -3.056 -6.711 3.747 575 HZ2 LYS 656 1HZ LYS 656 -2.717 -5.198 4.431 576 HZ3 LYS 656 2HZ LYS 656 -1.716 -6.523 4.764 577 H ILE 657 H ILE 657 -0.903 -6.268 -3.134 578 HA ILE 657 HA ILE 657 -3.191 -4.624 -3.393 579 HB ILE 657 HB ILE 657 -1.486 -5.754 -5.639 580 HG12 ILE 657 1HG1 ILE 657 -1.183 -3.161 -4.096 581 HG13 ILE 657 2HG1 ILE 657 -0.140 -4.568 -3.924 582 HG21 ILE 657 1HG2 ILE 657 -3.236 -3.290 -5.509 583 HG22 ILE 657 2HG2 ILE 657 -3.617 -4.783 -6.369 584 HG23 ILE 657 3HG2 ILE 657 -2.252 -3.794 -6.885 585 HD11 ILE 657 3HD1 ILE 657 0.894 -2.862 -5.306 586 HD12 ILE 657 1HD1 ILE 657 -0.477 -2.911 -6.414 587 HD13 ILE 657 2HD1 ILE 657 0.572 -4.318 -6.247 588 H TYR 658 H TYR 658 -2.459 -7.934 -4.446 589 HA TYR 658 HA TYR 658 -4.861 -8.310 -5.899 590 HB2 TYR 658 1HB TYR 658 -2.717 -9.809 -5.882 591 HB3 TYR 658 2HB TYR 658 -3.510 -10.618 -4.534 592 HD1 TYR 658 HD1 TYR 658 -4.710 -9.274 -7.820 593 HD2 TYR 658 HD2 TYR 658 -4.437 -12.654 -5.236 594 HE1 TYR 658 HE1 TYR 658 -6.013 -10.603 -9.418 595 HE2 TYR 658 HE2 TYR 658 -5.743 -13.976 -6.829 596 HH TYR 658 HH TYR 658 -6.407 -12.899 -10.012 597 H LYS 659 H LYS 659 -4.016 -8.778 -2.499 598 HA LYS 659 HA LYS 659 -6.382 -10.001 -1.633 599 HB2 LYS 659 1HB LYS 659 -4.634 -7.996 -0.187 600 HB3 LYS 659 2HB LYS 659 -5.917 -8.919 0.580 601 HG2 LYS 659 1HG LYS 659 -3.488 -10.102 -0.746 602 HG3 LYS 659 2HG LYS 659 -3.689 -9.859 0.990 603 HD2 LYS 659 1HD LYS 659 -5.601 -11.374 0.996 604 HD3 LYS 659 2HD LYS 659 -5.448 -11.585 -0.752 605 HE2 LYS 659 1HE LYS 659 -3.198 -12.521 -0.422 606 HE3 LYS 659 2HE LYS 659 -3.398 -12.350 1.322 607 HZ1 LYS 659 3HZ LYS 659 -3.865 -14.600 0.588 608 HZ2 LYS 659 1HZ LYS 659 -5.076 -14.042 -0.448 609 HZ3 LYS 659 2HZ LYS 659 -5.257 -13.885 1.224 610 H ILE 660 H ILE 660 -5.559 -6.582 -1.967 611 HA ILE 660 HA ILE 660 -8.029 -5.502 -1.212 612 HB ILE 660 HB ILE 660 -5.583 -4.521 -2.343 613 HG12 ILE 660 1HG1 ILE 660 -7.869 -3.084 -1.006 614 HG13 ILE 660 2HG1 ILE 660 -6.550 -3.909 -0.180 615 HG21 ILE 660 1HG2 ILE 660 -8.093 -3.510 -3.658 616 HG22 ILE 660 2HG2 ILE 660 -6.562 -3.961 -4.408 617 HG23 ILE 660 3HG2 ILE 660 -6.677 -2.483 -3.466 618 HD11 ILE 660 3HD1 ILE 660 -4.961 -2.369 -1.261 619 HD12 ILE 660 1HD1 ILE 660 -6.124 -1.556 -0.217 620 HD13 ILE 660 2HD1 ILE 660 -6.328 -1.505 -1.966 621 H GLN 661 H GLN 661 -6.925 -6.822 -4.274 622 HA GLN 661 HA GLN 661 -9.027 -5.670 -5.838 623 HB2 GLN 661 1HB GLN 661 -7.210 -8.019 -6.454 624 HB3 GLN 661 2HB GLN 661 -8.404 -7.383 -7.575 625 HG2 GLN 661 1HG GLN 661 -7.256 -5.173 -7.475 626 HG3 GLN 661 2HG GLN 661 -6.015 -5.913 -6.466 627 HE21 GLN 661 1HE2 GLN 661 -4.520 -7.273 -7.371 628 HE22 GLN 661 2HE2 GLN 661 -4.324 -7.445 -9.079 629 H LYS 662 H LYS 662 -8.542 -8.771 -4.245 630 HA LYS 662 HA LYS 662 -11.000 -9.914 -5.002 631 HB2 LYS 662 1HB LYS 662 -9.027 -11.123 -3.983 632 HB3 LYS 662 2HB LYS 662 -9.525 -10.464 -2.430 633 HG2 LYS 662 1HG LYS 662 -11.686 -11.588 -2.648 634 HG3 LYS 662 2HG LYS 662 -11.175 -12.257 -4.198 635 HD2 LYS 662 1HD LYS 662 -9.264 -13.341 -2.995 636 HD3 LYS 662 2HD LYS 662 -9.999 -12.816 -1.481 637 HE2 LYS 662 1HE LYS 662 -11.241 -14.636 -3.539 638 HE3 LYS 662 2HE LYS 662 -10.605 -15.117 -1.968 639 HZ1 LYS 662 3HZ LYS 662 -12.996 -14.920 -1.895 640 HZ2 LYS 662 1HZ LYS 662 -12.921 -13.321 -2.438 641 HZ3 LYS 662 2HZ LYS 662 -12.298 -13.728 -0.920 642 H GLU 663 H GLU 663 -10.055 -7.998 -2.146 643 HA GLU 663 HA GLU 663 -12.543 -8.150 -0.852 644 HB2 GLU 663 1HB GLU 663 -10.408 -6.030 -0.670 645 HB3 GLU 663 2HB GLU 663 -11.797 -6.131 0.399 646 HG2 GLU 663 1HG GLU 663 -10.964 -8.531 0.867 647 HG3 GLU 663 2HG GLU 663 -9.441 -7.950 0.194 648 H LEU 664 H LEU 664 -11.292 -5.840 -3.228 649 HA LEU 664 HA LEU 664 -13.438 -4.041 -3.163 650 HB2 LEU 664 1HB LEU 664 -11.700 -4.846 -5.495 651 HB3 LEU 664 2HB LEU 664 -12.788 -3.475 -5.493 652 HG LEU 664 HG LEU 664 -10.348 -3.809 -3.752 653 HD11 LEU 664 1HD1 LEU 664 -10.943 -1.940 -6.039 654 HD12 LEU 664 2HD1 LEU 664 -9.816 -3.296 -6.063 655 HD13 LEU 664 3HD1 LEU 664 -9.497 -1.902 -5.031 656 HD21 LEU 664 3HD2 LEU 664 -12.330 -1.541 -3.902 657 HD22 LEU 664 1HD2 LEU 664 -10.809 -1.519 -3.008 658 HD23 LEU 664 2HD2 LEU 664 -12.091 -2.633 -2.538 659 H GLU 665 H GLU 665 -12.978 -7.046 -4.946 660 HA GLU 665 HA GLU 665 -15.452 -7.027 -6.307 661 HB2 GLU 665 1HB GLU 665 -13.531 -8.502 -6.866 662 HB3 GLU 665 2HB GLU 665 -13.824 -9.405 -5.388 663 HG2 GLU 665 1HG GLU 665 -16.032 -10.045 -6.224 664 HG3 GLU 665 2HG GLU 665 -15.720 -9.152 -7.713 665 H GLU 666 H GLU 666 -14.444 -8.365 -3.187 666 HA GLU 666 HA GLU 666 -16.853 -9.671 -2.554 667 HB2 GLU 666 1HB GLU 666 -14.616 -8.646 -0.817 668 HB3 GLU 666 2HB GLU 666 -15.971 -9.573 -0.190 669 HG2 GLU 666 1HG GLU 666 -14.027 -10.517 -2.284 670 HG3 GLU 666 2HG GLU 666 -14.001 -10.962 -0.577 671 H LYS 667 H LYS 667 -15.720 -6.399 -1.854 672 HA LYS 667 HA LYS 667 -17.641 -5.656 0.008 673 HB2 LYS 667 1HB LYS 667 -16.967 -3.451 -0.290 674 HB3 LYS 667 2HB LYS 667 -15.552 -4.368 -0.779 675 HG2 LYS 667 1HG LYS 667 -16.318 -4.089 -3.152 676 HG3 LYS 667 2HG LYS 667 -17.543 -2.973 -2.547 677 HD2 LYS 667 1HD LYS 667 -15.683 -1.651 -1.502 678 HD3 LYS 667 2HD LYS 667 -14.548 -2.686 -2.365 679 HE2 LYS 667 1HE LYS 667 -16.487 -0.683 -3.455 680 HE3 LYS 667 2HE LYS 667 -14.759 -0.836 -3.762 681 HZ1 LYS 667 3HZ LYS 667 -15.347 -3.004 -4.900 682 HZ2 LYS 667 1HZ LYS 667 -15.835 -1.587 -5.691 683 HZ3 LYS 667 2HZ LYS 667 -16.965 -2.501 -4.824 684 H ARG 668 H ARG 668 -17.845 -5.750 -3.473 685 HA ARG 668 HA ARG 668 -20.280 -4.370 -3.733 686 HB2 ARG 668 1HB ARG 668 -18.573 -4.733 -5.541 687 HB3 ARG 668 2HB ARG 668 -19.150 -6.390 -5.654 688 HG2 ARG 668 1HG ARG 668 -21.344 -5.607 -6.330 689 HG3 ARG 668 2HG ARG 668 -20.821 -3.930 -6.143 690 HD2 ARG 668 1HD ARG 668 -19.664 -5.945 -8.062 691 HD3 ARG 668 2HD ARG 668 -20.760 -4.630 -8.485 692 HE ARG 668 HE ARG 668 -18.860 -3.191 -7.460 693 HH11 ARG 668 1HH1 ARG 668 -18.457 -6.115 -9.356 694 HH12 ARG 668 2HH1 ARG 668 -16.925 -5.635 -10.011 695 HH21 ARG 668 1HH2 ARG 668 -16.839 -2.551 -8.332 696 HH22 ARG 668 2HH2 ARG 668 -16.009 -3.599 -9.438 697 H ARG 669 H ARG 669 -19.804 -7.047 -2.191 698 HA ARG 669 HA ARG 669 -21.598 -8.978 -2.724 699 HB2 ARG 669 1HB ARG 669 -20.139 -8.531 -0.592 700 HB3 ARG 669 2HB ARG 669 -21.629 -7.868 0.057 701 HG2 ARG 669 1HG ARG 669 -21.478 -10.637 -1.090 702 HG3 ARG 669 2HG ARG 669 -21.100 -10.289 0.595 703 HD2 ARG 669 1HD ARG 669 -23.322 -9.431 0.961 704 HD3 ARG 669 2HD ARG 669 -23.711 -9.614 -0.749 705 HE ARG 669 HE ARG 669 -23.010 -12.120 0.026 706 HH11 ARG 669 1HH1 ARG 669 -25.321 -9.773 1.211 707 HH12 ARG 669 2HH1 ARG 669 -26.430 -10.972 1.796 708 HH21 ARG 669 1HH2 ARG 669 -24.471 -13.701 0.786 709 HH22 ARG 669 2HH2 ARG 669 -25.944 -13.208 1.560 710 H SER 670 H SER 670 -22.464 -5.790 -1.433 711 HA SER 670 HA SER 670 -25.177 -6.370 -2.373 712 HB2 SER 670 1HB SER 670 -25.255 -6.427 0.048 713 HB3 SER 670 2HB SER 670 -24.471 -4.860 0.165 714 HG SER 670 HG SER 670 -26.753 -4.906 -1.387 715 H ARG 671 H ARG 671 -22.659 -3.907 -1.931 716 HA ARG 671 HA ARG 671 -23.747 -2.433 -4.157 717 HB2 ARG 671 1HB ARG 671 -23.539 -1.272 -1.387 718 HB3 ARG 671 2HB ARG 671 -23.479 -0.254 -2.815 719 HG2 ARG 671 1HG ARG 671 -25.773 -2.090 -2.165 720 HG3 ARG 671 2HG ARG 671 -25.705 -0.390 -1.700 721 HD2 ARG 671 1HD ARG 671 -26.955 -0.412 -3.683 722 HD3 ARG 671 2HD ARG 671 -25.343 0.097 -4.180 723 HE ARG 671 HE ARG 671 -25.680 -2.729 -4.394 724 HH11 ARG 671 1HH1 ARG 671 -26.387 0.305 -5.993 725 HH12 ARG 671 2HH1 ARG 671 -26.524 -0.410 -7.567 726 HH21 ARG 671 1HH2 ARG 671 -25.861 -3.671 -6.461 727 HH22 ARG 671 2HH2 ARG 671 -26.208 -2.674 -7.837 728 H LEU 672 H LEU 672 -22.252 -0.966 -5.090 729 HA LEU 672 HA LEU 672 -20.299 0.120 -5.525 730 HB2 LEU 672 1HB LEU 672 -19.746 -0.685 -2.694 731 HB3 LEU 672 2HB LEU 672 -18.561 0.186 -3.651 732 HG LEU 672 HG LEU 672 -21.336 1.175 -2.957 733 HD11 LEU 672 1HD1 LEU 672 -19.900 1.111 -1.012 734 HD12 LEU 672 2HD1 LEU 672 -20.146 2.777 -1.532 735 HD13 LEU 672 3HD1 LEU 672 -18.629 1.956 -1.895 736 HD21 LEU 672 3HD2 LEU 672 -20.629 2.087 -5.077 737 HD22 LEU 672 1HD2 LEU 672 -19.049 2.500 -4.414 738 HD23 LEU 672 2HD2 LEU 672 -20.492 3.332 -3.840 739 H1 ASP 840 1H ASP 840 4.650 -11.136 10.334 740 HA ASP 840 HA ASP 840 2.119 -11.171 8.895 741 HB2 ASP 840 1HB ASP 840 2.701 -11.715 11.825 742 HB3 ASP 840 2HB ASP 840 1.098 -11.809 11.088 743 H ALA 841 H ALA 841 1.915 -9.007 8.309 744 HA ALA 841 HA ALA 841 1.094 -7.275 10.551 745 HB1 ALA 841 3HB ALA 841 1.657 -5.342 9.196 746 HB2 ALA 841 1HB ALA 841 2.129 -6.389 7.858 747 HB3 ALA 841 2HB ALA 841 3.062 -6.396 9.354 748 H GLY 842 H GLY 842 -0.513 -9.258 9.348 749 HA2 GLY 842 1HA GLY 842 -2.703 -9.441 8.677 750 HA3 GLY 842 2HA GLY 842 -2.768 -7.693 8.525 751 H ASN 843 H ASN 843 -2.197 -10.689 6.923 752 HA ASN 843 HA ASN 843 -1.217 -9.790 4.441 753 HB2 ASN 843 1HB ASN 843 -1.875 -12.293 5.408 754 HB3 ASN 843 2HB ASN 843 -3.259 -11.970 4.357 755 HD21 ASN 843 1HD2 ASN 843 -0.053 -10.702 3.672 756 HD22 ASN 843 2HD2 ASN 843 0.221 -11.685 2.273 757 H ILE 844 H ILE 844 -4.502 -10.145 5.636 758 HA ILE 844 HA ILE 844 -5.552 -8.839 3.228 759 HB ILE 844 HB ILE 844 -7.239 -9.899 5.513 760 HG12 ILE 844 1HG1 ILE 844 -6.159 -11.378 3.094 761 HG13 ILE 844 2HG1 ILE 844 -5.877 -11.771 4.786 762 HG21 ILE 844 1HG2 ILE 844 -7.817 -9.447 2.588 763 HG22 ILE 844 2HG2 ILE 844 -8.323 -8.402 3.913 764 HG23 ILE 844 3HG2 ILE 844 -8.959 -10.043 3.791 765 HD11 ILE 844 3HD1 ILE 844 -8.252 -12.326 5.036 766 HD12 ILE 844 1HD1 ILE 844 -7.465 -13.300 3.793 767 HD13 ILE 844 2HD1 ILE 844 -8.504 -11.953 3.331 768 H LEU 845 H LEU 845 -6.901 -6.947 3.411 769 HA LEU 845 HA LEU 845 -5.684 -5.146 5.314 770 HB2 LEU 845 1HB LEU 845 -7.634 -4.651 3.067 771 HB3 LEU 845 2HB LEU 845 -6.922 -3.393 4.057 772 HG LEU 845 HG LEU 845 -4.663 -4.512 3.212 773 HD11 LEU 845 1HD1 LEU 845 -5.443 -6.282 1.904 774 HD12 LEU 845 2HD1 LEU 845 -5.037 -5.028 0.722 775 HD13 LEU 845 3HD1 LEU 845 -6.717 -5.308 1.180 776 HD21 LEU 845 3HD2 LEU 845 -4.613 -2.826 1.435 777 HD22 LEU 845 1HD2 LEU 845 -5.271 -2.186 2.942 778 HD23 LEU 845 2HD2 LEU 845 -6.353 -2.603 1.614 779 HA PRO 846 HA PRO 846 -8.837 -5.124 8.394 780 HB2 PRO 846 1HB PRO 846 -8.606 -2.450 9.093 781 HB3 PRO 846 2HB PRO 846 -7.600 -3.755 9.724 782 HG2 PRO 846 1HG PRO 846 -7.029 -1.813 7.529 783 HG3 PRO 846 2HG PRO 846 -5.945 -2.443 8.783 784 HD2 PRO 846 1HD PRO 846 -5.845 -3.362 6.276 785 HD3 PRO 846 2HD PRO 846 -5.612 -4.448 7.662 786 H SER 847 H SER 847 -10.927 -4.641 8.602 787 HA SER 847 HA SER 847 -12.469 -3.824 6.445 788 HB2 SER 847 1HB SER 847 -13.296 -5.174 8.379 789 HB3 SER 847 2HB SER 847 -13.291 -3.704 9.353 790 HG SER 847 HG SER 847 -14.740 -2.816 7.699 791 H ASP 848 H ASP 848 -11.193 -1.991 9.153 792 HA ASP 848 HA ASP 848 -12.754 0.291 9.032 793 HB2 ASP 848 1HB ASP 848 -11.083 -0.169 10.801 794 HB3 ASP 848 2HB ASP 848 -9.790 0.182 9.657 795 H ILE 849 H ILE 849 -9.729 -0.343 7.228 796 HA ILE 849 HA ILE 849 -9.732 2.160 5.900 797 HB ILE 849 HB ILE 849 -8.431 -0.368 4.862 798 HG12 ILE 849 1HG1 ILE 849 -7.730 0.067 7.190 799 HG13 ILE 849 2HG1 ILE 849 -6.412 0.359 6.061 800 HG21 ILE 849 1HG2 ILE 849 -6.921 1.218 3.752 801 HG22 ILE 849 2HG2 ILE 849 -7.846 2.560 4.420 802 HG23 ILE 849 3HG2 ILE 849 -8.594 1.467 3.257 803 HD11 ILE 849 3HD1 ILE 849 -6.808 2.765 6.231 804 HD12 ILE 849 1HD1 ILE 849 -6.478 2.044 7.805 805 HD13 ILE 849 2HD1 ILE 849 -8.130 2.467 7.359 806 H MET 850 H MET 850 -10.910 -1.048 4.939 807 HA MET 850 HA MET 850 -11.786 -0.326 2.361 808 HB2 MET 850 1HB MET 850 -12.649 -2.509 4.246 809 HB3 MET 850 2HB MET 850 -13.371 -2.314 2.656 810 HG2 MET 850 1HG MET 850 -10.447 -2.793 3.200 811 HG3 MET 850 2HG MET 850 -11.609 -4.013 2.689 812 HE1 MET 850 3HE MET 850 -10.013 -0.531 1.662 813 HE2 MET 850 1HE MET 850 -9.391 -1.017 0.087 814 HE3 MET 850 2HE MET 850 -8.841 -1.842 1.544 815 H ASP 851 H ASP 851 -13.357 -0.225 5.495 816 HA ASP 851 HA ASP 851 -15.917 0.533 4.752 817 HB2 ASP 851 1HB ASP 851 -14.227 0.883 7.190 818 HB3 ASP 851 2HB ASP 851 -15.605 1.971 7.027 819 H PHE 852 H PHE 852 -12.982 2.504 4.978 820 HA PHE 852 HA PHE 852 -14.140 5.033 4.722 821 HB2 PHE 852 1HB PHE 852 -11.494 4.045 3.637 822 HB3 PHE 852 2HB PHE 852 -11.972 5.733 3.702 823 HD1 PHE 852 HD1 PHE 852 -13.380 5.253 6.521 824 HD2 PHE 852 HD2 PHE 852 -9.509 4.519 4.914 825 HE1 PHE 852 HE1 PHE 852 -12.410 5.446 8.771 826 HE2 PHE 852 HE2 PHE 852 -8.535 4.709 7.160 827 HZ PHE 852 HZ PHE 852 -9.986 5.173 9.094 828 H VAL 853 H VAL 853 -13.001 2.844 2.118 829 HA VAL 853 HA VAL 853 -13.838 4.591 0.047 830 HB VAL 853 HB VAL 853 -12.098 2.881 -0.325 831 HG11 VAL 853 1HG1 VAL 853 -12.710 0.570 -0.806 832 HG12 VAL 853 2HG1 VAL 853 -14.367 0.906 -0.308 833 HG13 VAL 853 3HG1 VAL 853 -13.057 1.002 0.868 834 HG21 VAL 853 3HG2 VAL 853 -14.471 2.693 -2.174 835 HG22 VAL 853 1HG2 VAL 853 -12.817 2.232 -2.579 836 HG23 VAL 853 2HG2 VAL 853 -13.201 3.916 -2.220 837 H LEU 854 H LEU 854 -15.377 1.840 1.640 838 HA LEU 854 HA LEU 854 -17.715 1.669 0.134 839 HB2 LEU 854 1HB LEU 854 -17.046 1.072 2.980 840 HB3 LEU 854 2HB LEU 854 -18.733 1.099 2.518 841 HG LEU 854 HG LEU 854 -17.659 -1.172 2.560 842 HD11 LEU 854 1HD1 LEU 854 -18.730 -0.382 -0.147 843 HD12 LEU 854 2HD1 LEU 854 -19.724 -0.691 1.275 844 HD13 LEU 854 3HD1 LEU 854 -18.748 -1.984 0.586 845 HD21 LEU 854 3HD2 LEU 854 -16.245 -1.833 0.703 846 HD22 LEU 854 1HD2 LEU 854 -15.487 -0.548 1.642 847 HD23 LEU 854 2HD2 LEU 854 -16.247 -0.180 0.093 848 H LYS 855 H LYS 855 -16.811 3.947 2.661 849 HA LYS 855 HA LYS 855 -19.389 5.096 3.004 850 HB2 LYS 855 1HB LYS 855 -17.496 5.336 4.632 851 HB3 LYS 855 2HB LYS 855 -16.710 6.424 3.500 852 HG2 LYS 855 1HG LYS 855 -17.802 7.735 5.211 853 HG3 LYS 855 2HG LYS 855 -18.666 7.953 3.685 854 HD2 LYS 855 1HD LYS 855 -20.332 6.302 4.403 855 HD3 LYS 855 2HD LYS 855 -19.470 6.102 5.928 856 HE2 LYS 855 1HE LYS 855 -21.345 7.585 6.251 857 HE3 LYS 855 2HE LYS 855 -19.844 8.492 6.413 858 HZ1 LYS 855 3HZ LYS 855 -21.521 9.666 5.096 859 HZ2 LYS 855 1HZ LYS 855 -21.519 8.411 3.964 860 HZ3 LYS 855 2HZ LYS 855 -20.128 9.346 4.195 861 H ASN 856 H ASN 856 -17.192 5.261 0.446 862 HA ASN 856 HA ASN 856 -18.260 7.845 -0.478 863 HB2 ASN 856 1HB ASN 856 -15.771 7.579 -0.415 864 HB3 ASN 856 2HB ASN 856 -15.923 6.291 -1.607 865 HD21 ASN 856 1HD2 ASN 856 -14.830 7.311 -3.224 866 HD22 ASN 856 2HD2 ASN 856 -15.407 8.727 -4.029 867 H THR 857 H THR 857 -19.377 7.997 -2.375 868 HA THR 857 HA THR 857 -19.805 5.510 -3.872 869 HB THR 857 HB THR 857 -21.845 7.714 -3.545 870 HG1 THR 857 HG1 THR 857 -21.110 5.768 -1.822 871 HG21 THR 857 1HG2 THR 857 -22.098 6.348 -5.565 872 HG22 THR 857 2HG2 THR 857 -23.403 6.034 -4.421 873 HG23 THR 857 3HG2 THR 857 -22.076 4.884 -4.583 874 HA PRO 858 HA PRO 858 -17.889 8.414 -6.834 875 HB2 PRO 858 1HB PRO 858 -17.329 5.940 -8.313 876 HB3 PRO 858 2HB PRO 858 -16.205 7.159 -7.708 877 HG2 PRO 858 1HG PRO 858 -16.370 4.705 -6.616 878 HG3 PRO 858 2HG PRO 858 -16.007 6.144 -5.647 879 HD2 PRO 858 1HD PRO 858 -18.599 4.669 -5.951 880 HD3 PRO 858 2HD PRO 858 -17.854 5.347 -4.487 Start of MODEL 11 1 H1 GLY 586 1H GLY 586 24.032 14.582 -2.818 2 HA2 GLY 586 1HA GLY 586 24.258 13.992 -0.188 3 HA3 GLY 586 2HA GLY 586 24.147 12.736 -1.409 4 H VAL 587 H VAL 587 25.573 12.744 1.146 5 HA VAL 587 HA VAL 587 28.376 12.948 0.423 6 HB VAL 587 HB VAL 587 28.820 12.350 2.795 7 HG11 VAL 587 1HG1 VAL 587 26.908 14.640 2.352 8 HG12 VAL 587 2HG1 VAL 587 28.657 14.679 2.126 9 HG13 VAL 587 3HG1 VAL 587 27.981 14.456 3.739 10 HG21 VAL 587 3HG2 VAL 587 26.835 11.000 3.220 11 HG22 VAL 587 1HG2 VAL 587 25.815 12.428 3.041 12 HG23 VAL 587 2HG2 VAL 587 26.955 12.323 4.381 13 H ARG 588 H ARG 588 29.708 11.034 1.624 14 HA ARG 588 HA ARG 588 29.301 8.816 -0.083 15 HB2 ARG 588 1HB ARG 588 31.204 7.783 1.075 16 HB3 ARG 588 2HB ARG 588 31.549 9.453 0.665 17 HG2 ARG 588 1HG ARG 588 32.408 9.299 2.789 18 HG3 ARG 588 2HG ARG 588 30.791 9.928 3.110 19 HD2 ARG 588 1HD ARG 588 30.043 7.583 3.514 20 HD3 ARG 588 2HD ARG 588 31.726 7.078 3.367 21 HE ARG 588 HE ARG 588 31.580 9.123 5.272 22 HH11 ARG 588 1HH1 ARG 588 30.590 5.793 4.838 23 HH12 ARG 588 2HH1 ARG 588 30.590 5.436 6.536 24 HH21 ARG 588 1HH2 ARG 588 31.574 8.653 7.518 25 HH22 ARG 588 2HH2 ARG 588 31.151 7.060 8.057 26 H LYS 589 H LYS 589 28.087 9.533 3.069 27 HA LYS 589 HA LYS 589 27.544 6.874 3.877 28 HB2 LYS 589 1HB LYS 589 27.044 7.982 5.768 29 HB3 LYS 589 2HB LYS 589 26.984 9.514 4.905 30 HG2 LYS 589 1HG LYS 589 24.620 7.696 4.813 31 HG3 LYS 589 2HG LYS 589 24.940 8.622 6.278 32 HD2 LYS 589 1HD LYS 589 25.028 10.679 4.842 33 HD3 LYS 589 2HD LYS 589 24.467 9.686 3.498 34 HE2 LYS 589 1HE LYS 589 22.565 10.783 4.438 35 HE3 LYS 589 2HE LYS 589 22.476 9.078 4.875 36 HZ1 LYS 589 3HZ LYS 589 23.341 9.627 7.062 37 HZ2 LYS 589 1HZ LYS 589 21.933 10.508 6.744 38 HZ3 LYS 589 2HZ LYS 589 23.440 11.261 6.641 39 H GLY 590 H GLY 590 25.896 5.510 3.421 40 HA2 GLY 590 1HA GLY 590 23.560 6.127 2.043 41 HA3 GLY 590 2HA GLY 590 24.802 5.750 0.856 42 H TRP 591 H TRP 591 23.143 4.536 3.692 43 HA TRP 591 HA TRP 591 23.983 1.804 3.256 44 HB2 TRP 591 1HB TRP 591 21.615 2.014 4.894 45 HB3 TRP 591 2HB TRP 591 23.227 1.492 5.356 46 HD1 TRP 591 HD1 TRP 591 24.447 3.005 7.056 47 HE1 TRP 591 HE1 TRP 591 24.001 5.339 8.076 48 HE3 TRP 591 HE3 TRP 591 20.560 4.491 4.081 49 HZ2 TRP 591 HZ2 TRP 591 22.293 7.535 7.614 50 HZ3 TRP 591 HZ3 TRP 591 19.588 6.715 4.428 51 HH2 TRP 591 HH2 TRP 591 20.436 8.207 6.163 52 H HIS 592 H HIS 592 21.094 3.751 2.810 53 HA HIS 592 HA HIS 592 19.514 1.584 1.802 54 HB2 HIS 592 1HB HIS 592 19.026 4.518 2.191 55 HB3 HIS 592 2HB HIS 592 17.906 3.555 1.236 56 HD1 HIS 592 HD1 HIS 592 18.332 4.737 4.549 57 HD2 HIS 592 HD2 HIS 592 17.004 1.180 2.857 58 HE1 HIS 592 HE1 HIS 592 17.043 3.572 6.360 59 HE2 HIS 592 HE2 HIS 592 16.133 1.494 5.277 60 H GLU 593 H GLU 593 21.974 3.067 0.334 61 HA GLU 593 HA GLU 593 21.025 4.283 -1.940 62 HB2 GLU 593 1HB GLU 593 23.214 3.814 -2.947 63 HB3 GLU 593 2HB GLU 593 23.344 4.389 -1.294 64 HG2 GLU 593 1HG GLU 593 24.886 2.722 -1.266 65 HG3 GLU 593 2HG GLU 593 23.459 1.830 -0.742 66 H HIS 594 H HIS 594 21.532 0.784 -1.478 67 HA HIS 594 HA HIS 594 20.924 -0.093 -4.002 68 HB2 HIS 594 1HB HIS 594 20.157 -2.209 -3.056 69 HB3 HIS 594 2HB HIS 594 21.613 -1.657 -2.227 70 HD1 HIS 594 HD1 HIS 594 18.410 -3.071 -1.566 71 HD2 HIS 594 HD2 HIS 594 20.782 -0.232 0.337 72 HE1 HIS 594 HE1 HIS 594 17.560 -2.951 0.798 73 HE2 HIS 594 HE2 HIS 594 19.127 -1.367 1.973 74 H VAL 595 H VAL 595 18.758 1.680 -2.069 75 HA VAL 595 HA VAL 595 16.621 1.084 -3.977 76 HB VAL 595 HB VAL 595 16.331 1.123 -0.971 77 HG11 VAL 595 1HG1 VAL 595 14.154 1.367 -3.050 78 HG12 VAL 595 2HG1 VAL 595 14.573 2.530 -1.789 79 HG13 VAL 595 3HG1 VAL 595 13.880 0.970 -1.351 80 HG21 VAL 595 3HG2 VAL 595 15.531 -0.890 -3.067 81 HG22 VAL 595 1HG2 VAL 595 15.198 -1.028 -1.341 82 HG23 VAL 595 2HG2 VAL 595 16.863 -1.039 -1.922 83 H THR 596 H THR 596 15.707 2.922 -4.756 84 HA THR 596 HA THR 596 16.602 5.438 -3.599 85 HB THR 596 HB THR 596 16.829 5.407 -5.959 86 HG1 THR 596 HG1 THR 596 15.912 7.300 -6.269 87 HG21 THR 596 1HG2 THR 596 15.322 3.562 -6.477 88 HG22 THR 596 2HG2 THR 596 14.976 4.955 -7.500 89 HG23 THR 596 3HG2 THR 596 13.932 4.584 -6.131 90 H GLN 597 H GLN 597 15.156 7.110 -2.990 91 HA GLN 597 HA GLN 597 12.977 6.283 -1.437 92 HB2 GLN 597 1HB GLN 597 14.243 8.380 -1.059 93 HB3 GLN 597 2HB GLN 597 13.563 9.043 -2.537 94 HG2 GLN 597 1HG GLN 597 12.238 9.985 -0.914 95 HG3 GLN 597 2HG GLN 597 11.282 8.597 -1.423 96 HE21 GLN 597 1HE2 GLN 597 13.117 6.757 0.073 97 HE22 GLN 597 2HE2 GLN 597 12.658 6.927 1.717 98 H ASP 598 H ASP 598 13.222 7.532 -4.688 99 HA ASP 598 HA ASP 598 10.512 7.933 -5.244 100 HB2 ASP 598 1HB ASP 598 12.266 8.723 -6.747 101 HB3 ASP 598 2HB ASP 598 12.706 7.063 -7.136 102 H LEU 599 H LEU 599 12.473 4.972 -5.492 103 HA LEU 599 HA LEU 599 10.592 3.296 -6.635 104 HB2 LEU 599 1HB LEU 599 13.030 2.804 -6.093 105 HB3 LEU 599 2HB LEU 599 12.512 2.479 -4.448 106 HG LEU 599 HG LEU 599 11.005 0.699 -5.339 107 HD11 LEU 599 1HD1 LEU 599 10.743 1.533 -7.585 108 HD12 LEU 599 2HD1 LEU 599 11.431 -0.092 -7.627 109 HD13 LEU 599 3HD1 LEU 599 12.463 1.315 -7.895 110 HD21 LEU 599 3HD2 LEU 599 13.945 0.437 -5.957 111 HD22 LEU 599 1HD2 LEU 599 12.813 -0.906 -5.791 112 HD23 LEU 599 2HD2 LEU 599 13.168 0.124 -4.404 113 H ARG 600 H ARG 600 11.212 3.884 -3.192 114 HA ARG 600 HA ARG 600 9.179 2.183 -2.246 115 HB2 ARG 600 1HB ARG 600 10.577 4.509 -0.924 116 HB3 ARG 600 2HB ARG 600 9.467 3.431 -0.087 117 HG2 ARG 600 1HG ARG 600 10.919 1.535 -0.589 118 HG3 ARG 600 2HG ARG 600 12.033 2.613 -1.433 119 HD2 ARG 600 1HD ARG 600 12.811 2.129 0.825 120 HD3 ARG 600 2HD ARG 600 12.427 3.839 0.637 121 HE ARG 600 HE ARG 600 10.161 3.039 1.679 122 HH11 ARG 600 1HH1 ARG 600 13.399 2.000 2.559 123 HH12 ARG 600 2HH1 ARG 600 12.979 1.678 4.213 124 HH21 ARG 600 1HH2 ARG 600 9.619 2.635 3.833 125 HH22 ARG 600 2HH2 ARG 600 10.819 2.043 4.942 126 H SER 601 H SER 601 9.212 5.695 -2.780 127 HA SER 601 HA SER 601 6.648 6.154 -1.700 128 HB2 SER 601 1HB SER 601 6.792 8.321 -2.980 129 HB3 SER 601 2HB SER 601 8.162 7.999 -1.917 130 HG SER 601 HG SER 601 9.440 7.782 -3.596 131 H HIS 602 H HIS 602 7.773 5.463 -4.980 132 HA HIS 602 HA HIS 602 5.393 5.879 -6.368 133 HB2 HIS 602 1HB HIS 602 7.742 5.311 -7.277 134 HB3 HIS 602 2HB HIS 602 7.269 3.628 -7.055 135 HD1 HIS 602 HD1 HIS 602 6.827 6.531 -9.294 136 HD2 HIS 602 HD2 HIS 602 5.130 2.772 -8.755 137 HE1 HIS 602 HE1 HIS 602 5.512 6.075 -11.386 138 HE2 HIS 602 HE2 HIS 602 4.449 3.822 -11.018 139 H LEU 603 H LEU 603 6.593 3.010 -4.715 140 HA LEU 603 HA LEU 603 4.463 1.288 -5.355 141 HB2 LEU 603 1HB LEU 603 6.218 1.203 -2.901 142 HB3 LEU 603 2HB LEU 603 5.297 -0.125 -3.577 143 HG LEU 603 HG LEU 603 7.532 1.249 -5.064 144 HD11 LEU 603 1HD1 LEU 603 8.940 -0.629 -4.471 145 HD12 LEU 603 2HD1 LEU 603 7.646 -1.318 -3.495 146 HD13 LEU 603 3HD1 LEU 603 8.392 0.206 -3.018 147 HD21 LEU 603 3HD2 LEU 603 7.463 -0.763 -6.457 148 HD22 LEU 603 1HD2 LEU 603 5.924 0.098 -6.479 149 HD23 LEU 603 2HD2 LEU 603 6.101 -1.368 -5.514 150 H VAL 604 H VAL 604 4.928 3.613 -2.763 151 HA VAL 604 HA VAL 604 2.772 2.767 -1.127 152 HB VAL 604 HB VAL 604 4.155 5.451 -1.325 153 HG11 VAL 604 1HG1 VAL 604 3.095 6.026 0.783 154 HG12 VAL 604 2HG1 VAL 604 2.232 4.489 0.794 155 HG13 VAL 604 3HG1 VAL 604 1.867 5.696 -0.440 156 HG21 VAL 604 3HG2 VAL 604 4.386 3.217 0.691 157 HG22 VAL 604 1HG2 VAL 604 5.244 4.756 0.752 158 HG23 VAL 604 2HG2 VAL 604 5.573 3.615 -0.552 159 H HIS 605 H HIS 605 3.049 5.260 -3.662 160 HA HIS 605 HA HIS 605 0.390 6.200 -3.430 161 HB2 HIS 605 1HB HIS 605 2.216 6.248 -5.837 162 HB3 HIS 605 2HB HIS 605 0.671 7.075 -5.755 163 HD1 HIS 605 HD1 HIS 605 0.522 9.046 -3.926 164 HD2 HIS 605 HD2 HIS 605 4.335 7.656 -4.833 165 HE1 HIS 605 HE1 HIS 605 2.101 10.821 -3.113 166 HE2 HIS 605 HE2 HIS 605 4.384 10.039 -3.833 167 H LYS 606 H LYS 606 1.856 3.626 -5.328 168 HA LYS 606 HA LYS 606 -0.392 2.937 -6.866 169 HB2 LYS 606 1HB LYS 606 1.977 2.147 -7.216 170 HB3 LYS 606 2HB LYS 606 1.738 1.039 -5.871 171 HG2 LYS 606 1HG LYS 606 -0.063 -0.065 -7.084 172 HG3 LYS 606 2HG LYS 606 0.144 1.061 -8.427 173 HD2 LYS 606 1HD LYS 606 2.493 0.249 -8.650 174 HD3 LYS 606 2HD LYS 606 2.135 -0.971 -7.426 175 HE2 LYS 606 1HE LYS 606 0.722 -0.664 -10.074 176 HE3 LYS 606 2HE LYS 606 1.954 -1.868 -9.707 177 HZ1 LYS 606 3HZ LYS 606 -0.315 -2.743 -9.546 178 HZ2 LYS 606 1HZ LYS 606 -0.659 -1.641 -8.311 179 HZ3 LYS 606 2HZ LYS 606 0.507 -2.845 -8.074 180 H LEU 607 H LEU 607 0.676 1.878 -3.660 181 HA LEU 607 HA LEU 607 -1.392 0.011 -3.208 182 HB2 LEU 607 1HB LEU 607 0.803 0.394 -1.912 183 HB3 LEU 607 2HB LEU 607 -0.070 1.647 -1.057 184 HG LEU 607 HG LEU 607 -1.082 -1.187 -1.140 185 HD11 LEU 607 1HD1 LEU 607 0.022 -1.523 1.023 186 HD12 LEU 607 2HD1 LEU 607 0.825 0.038 0.847 187 HD13 LEU 607 3HD1 LEU 607 1.184 -1.272 -0.278 188 HD21 LEU 607 3HD2 LEU 607 -2.219 -0.527 0.907 189 HD22 LEU 607 1HD2 LEU 607 -2.638 0.566 -0.413 190 HD23 LEU 607 2HD2 LEU 607 -1.482 1.073 0.818 191 H VAL 608 H VAL 608 -1.086 3.469 -2.381 192 HA VAL 608 HA VAL 608 -3.595 3.921 -1.285 193 HB VAL 608 HB VAL 608 -1.922 5.693 -3.078 194 HG11 VAL 608 1HG1 VAL 608 -4.252 6.442 -3.137 195 HG12 VAL 608 2HG1 VAL 608 -3.223 7.585 -2.275 196 HG13 VAL 608 3HG1 VAL 608 -4.276 6.499 -1.376 197 HG21 VAL 608 3HG2 VAL 608 -1.277 6.779 -0.981 198 HG22 VAL 608 1HG2 VAL 608 -0.846 5.069 -0.990 199 HG23 VAL 608 2HG2 VAL 608 -2.255 5.619 -0.084 200 H GLN 609 H GLN 609 -2.603 3.908 -4.679 201 HA GLN 609 HA GLN 609 -5.043 4.555 -5.864 202 HB2 GLN 609 1HB GLN 609 -2.860 4.507 -7.036 203 HB3 GLN 609 2HB GLN 609 -2.865 2.756 -6.949 204 HG2 GLN 609 1HG GLN 609 -5.218 3.981 -8.221 205 HG3 GLN 609 2HG GLN 609 -3.690 4.166 -9.071 206 HE21 GLN 609 1HE2 GLN 609 -6.086 1.900 -7.943 207 HE22 GLN 609 2HE2 GLN 609 -5.545 0.559 -8.888 208 H ALA 610 H ALA 610 -3.770 1.470 -4.755 209 HA ALA 610 HA ALA 610 -5.697 -0.208 -5.898 210 HB1 ALA 610 3HB ALA 610 -5.008 -1.862 -4.261 211 HB2 ALA 610 1HB ALA 610 -4.202 -0.611 -3.312 212 HB3 ALA 610 2HB ALA 610 -3.604 -1.022 -4.919 213 H ILE 611 H ILE 611 -5.695 1.573 -2.832 214 HA ILE 611 HA ILE 611 -8.203 0.386 -2.031 215 HB ILE 611 HB ILE 611 -6.638 2.718 -0.792 216 HG12 ILE 611 1HG1 ILE 611 -6.918 0.032 0.563 217 HG13 ILE 611 2HG1 ILE 611 -5.700 0.265 -0.702 218 HG21 ILE 611 1HG2 ILE 611 -8.952 1.259 0.485 219 HG22 ILE 611 2HG2 ILE 611 -9.057 2.845 -0.284 220 HG23 ILE 611 3HG2 ILE 611 -8.041 2.618 1.137 221 HD11 ILE 611 3HD1 ILE 611 -4.812 0.590 1.544 222 HD12 ILE 611 1HD1 ILE 611 -5.966 1.895 1.814 223 HD13 ILE 611 2HD1 ILE 611 -4.709 2.067 0.587 224 H PHE 612 H PHE 612 -7.141 3.292 -3.661 225 HA PHE 612 HA PHE 612 -9.862 4.024 -4.231 226 HB2 PHE 612 1HB PHE 612 -9.364 4.989 -1.939 227 HB3 PHE 612 2HB PHE 612 -8.152 6.001 -2.710 228 HD1 PHE 612 HD2 PHE 612 -11.646 5.069 -3.633 229 HD2 PHE 612 HD1 PHE 612 -8.873 8.168 -2.751 230 HE1 PHE 612 HE2 PHE 612 -13.380 6.749 -4.104 231 HE2 PHE 612 HE1 PHE 612 -10.601 9.854 -3.211 232 HZ PHE 612 HZ PHE 612 -12.858 9.146 -3.891 233 HA PRO 613 HA PRO 613 -6.775 4.749 -7.476 234 HB2 PRO 613 1HB PRO 613 -8.428 4.298 -9.603 235 HB3 PRO 613 2HB PRO 613 -7.659 3.003 -8.680 236 HG2 PRO 613 1HG PRO 613 -10.464 3.996 -8.600 237 HG3 PRO 613 2HG PRO 613 -9.843 2.357 -8.357 238 HD2 PRO 613 1HD PRO 613 -10.667 4.074 -6.331 239 HD3 PRO 613 2HD PRO 613 -9.579 2.678 -6.122 240 H THR 614 H THR 614 -9.980 6.215 -7.373 241 HA THR 614 HA THR 614 -9.425 8.172 -9.379 242 HB THR 614 HB THR 614 -11.543 9.261 -8.421 243 HG1 THR 614 HG1 THR 614 -11.398 8.246 -6.347 244 HG21 THR 614 1HG2 THR 614 -11.583 7.837 -10.402 245 HG22 THR 614 2HG2 THR 614 -12.991 7.512 -9.392 246 HG23 THR 614 3HG2 THR 614 -11.626 6.394 -9.389 247 HA PRO 615 HA PRO 615 -7.175 10.722 -6.386 248 HB2 PRO 615 1HB PRO 615 -6.137 12.193 -8.654 249 HB3 PRO 615 2HB PRO 615 -5.282 11.069 -7.585 250 HG2 PRO 615 1HG PRO 615 -5.771 10.516 -10.219 251 HG3 PRO 615 2HG PRO 615 -5.623 9.253 -8.971 252 HD2 PRO 615 1HD PRO 615 -8.112 10.502 -10.135 253 HD3 PRO 615 2HD PRO 615 -7.761 8.779 -9.849 254 H ASP 616 H ASP 616 -9.426 11.552 -5.959 255 HA ASP 616 HA ASP 616 -10.358 13.846 -7.412 256 HB2 ASP 616 1HB ASP 616 -11.931 12.380 -6.159 257 HB3 ASP 616 2HB ASP 616 -11.148 12.848 -4.652 258 HA PRO 617 HA PRO 617 -7.407 16.695 -5.804 259 HB2 PRO 617 1HB PRO 617 -8.924 19.001 -6.257 260 HB3 PRO 617 2HB PRO 617 -7.889 18.197 -7.447 261 HG2 PRO 617 1HG PRO 617 -10.842 17.990 -7.040 262 HG3 PRO 617 2HG PRO 617 -9.914 18.059 -8.554 263 HD2 PRO 617 1HD PRO 617 -10.902 15.750 -7.652 264 HD3 PRO 617 2HD PRO 617 -9.303 15.811 -8.436 265 H ALA 618 H ALA 618 -10.723 16.664 -4.621 266 HA ALA 618 HA ALA 618 -10.041 18.383 -2.376 267 HB1 ALA 618 3HB ALA 618 -12.237 18.628 -3.432 268 HB2 ALA 618 1HB ALA 618 -12.379 18.169 -1.735 269 HB3 ALA 618 2HB ALA 618 -12.627 16.964 -2.998 270 H ALA 619 H ALA 619 -11.218 15.070 -2.880 271 HA ALA 619 HA ALA 619 -10.915 14.096 -0.302 272 HB1 ALA 619 3HB ALA 619 -10.849 11.884 -1.283 273 HB2 ALA 619 1HB ALA 619 -10.427 12.566 -2.853 274 HB3 ALA 619 2HB ALA 619 -12.012 12.885 -2.152 275 H LEU 620 H LEU 620 -8.518 14.768 -2.703 276 HA LEU 620 HA LEU 620 -6.362 13.245 -1.727 277 HB2 LEU 620 1HB LEU 620 -6.807 15.153 -3.751 278 HB3 LEU 620 2HB LEU 620 -5.507 15.799 -2.769 279 HG LEU 620 HG LEU 620 -4.604 14.548 -4.639 280 HD11 LEU 620 1HD1 LEU 620 -3.158 12.996 -3.447 281 HD12 LEU 620 2HD1 LEU 620 -4.237 13.045 -2.054 282 HD13 LEU 620 3HD1 LEU 620 -3.361 14.496 -2.542 283 HD21 LEU 620 3HD2 LEU 620 -4.989 12.155 -4.894 284 HD22 LEU 620 1HD2 LEU 620 -6.497 13.059 -5.030 285 HD23 LEU 620 2HD2 LEU 620 -6.123 12.186 -3.544 286 H LYS 621 H LYS 621 -7.708 16.320 -0.759 287 HA LYS 621 HA LYS 621 -5.496 16.814 1.098 288 HB2 LYS 621 1HB LYS 621 -7.908 18.556 0.502 289 HB3 LYS 621 2HB LYS 621 -6.479 19.019 1.417 290 HG2 LYS 621 1HG LYS 621 -5.129 18.711 -0.649 291 HG3 LYS 621 2HG LYS 621 -6.629 18.419 -1.532 292 HD2 LYS 621 1HD LYS 621 -7.430 20.653 -0.717 293 HD3 LYS 621 2HD LYS 621 -5.811 20.932 -0.082 294 HE2 LYS 621 1HE LYS 621 -5.959 21.995 -2.214 295 HE3 LYS 621 2HE LYS 621 -4.923 20.582 -2.383 296 HZ1 LYS 621 3HZ LYS 621 -6.750 19.371 -3.361 297 HZ2 LYS 621 1HZ LYS 621 -6.497 20.809 -4.218 298 HZ3 LYS 621 2HZ LYS 621 -7.794 20.685 -3.140 299 H ASP 622 H ASP 622 -7.738 14.738 1.392 300 HA ASP 622 HA ASP 622 -9.155 15.767 3.745 301 HB2 ASP 622 1HB ASP 622 -10.775 14.888 2.367 302 HB3 ASP 622 2HB ASP 622 -9.705 13.652 1.716 303 H ARG 623 H ARG 623 -9.055 14.828 5.718 304 HA ARG 623 HA ARG 623 -6.658 13.568 6.452 305 HB2 ARG 623 1HB ARG 623 -9.223 13.895 8.003 306 HB3 ARG 623 2HB ARG 623 -7.720 13.315 8.692 307 HG2 ARG 623 1HG ARG 623 -8.323 16.069 7.632 308 HG3 ARG 623 2HG ARG 623 -7.917 15.595 9.280 309 HD2 ARG 623 1HD ARG 623 -5.922 16.481 8.542 310 HD3 ARG 623 2HD ARG 623 -5.694 14.767 8.203 311 HE ARG 623 HE ARG 623 -6.737 16.458 6.061 312 HH11 ARG 623 1HH1 ARG 623 -4.008 14.765 7.442 313 HH12 ARG 623 2HH1 ARG 623 -3.123 14.698 5.945 314 HH21 ARG 623 1HH2 ARG 623 -5.569 16.412 4.101 315 HH22 ARG 623 2HH2 ARG 623 -4.011 15.646 4.047 316 H ARG 624 H ARG 624 -9.906 12.228 5.905 317 HA ARG 624 HA ARG 624 -9.504 9.683 6.951 318 HB2 ARG 624 1HB ARG 624 -11.694 10.486 6.276 319 HB3 ARG 624 2HB ARG 624 -11.181 10.581 4.601 320 HG2 ARG 624 1HG ARG 624 -10.891 8.124 4.603 321 HG3 ARG 624 2HG ARG 624 -11.549 8.087 6.240 322 HD2 ARG 624 1HD ARG 624 -13.252 7.586 4.533 323 HD3 ARG 624 2HD ARG 624 -13.636 9.038 5.458 324 HE ARG 624 HE ARG 624 -12.210 9.529 2.996 325 HH11 ARG 624 1HH1 ARG 624 -15.364 9.164 4.476 326 HH12 ARG 624 2HH1 ARG 624 -16.184 10.080 3.253 327 HH21 ARG 624 1HH2 ARG 624 -13.281 10.738 1.391 328 HH22 ARG 624 2HH2 ARG 624 -14.996 10.988 1.505 329 H MET 625 H MET 625 -8.868 10.919 3.670 330 HA MET 625 HA MET 625 -7.788 8.532 2.656 331 HB2 MET 625 1HB MET 625 -8.344 10.157 1.043 332 HB3 MET 625 2HB MET 625 -7.400 11.405 1.841 333 HG2 MET 625 1HG MET 625 -5.323 10.223 1.246 334 HG3 MET 625 2HG MET 625 -6.284 8.983 0.437 335 HE1 MET 625 3HE MET 625 -7.520 9.295 -1.830 336 HE2 MET 625 1HE MET 625 -7.759 10.853 -2.619 337 HE3 MET 625 2HE MET 625 -8.526 10.526 -1.067 338 H GLU 626 H GLU 626 -6.328 11.143 4.514 339 HA GLU 626 HA GLU 626 -3.632 10.514 4.174 340 HB2 GLU 626 1HB GLU 626 -4.608 12.546 5.323 341 HB3 GLU 626 2HB GLU 626 -4.887 11.529 6.728 342 HG2 GLU 626 1HG GLU 626 -2.887 12.658 7.162 343 HG3 GLU 626 2HG GLU 626 -2.404 11.031 6.685 344 H ASN 627 H ASN 627 -6.062 9.210 6.370 345 HA ASN 627 HA ASN 627 -4.358 7.634 7.964 346 HB2 ASN 627 1HB ASN 627 -7.286 7.520 7.331 347 HB3 ASN 627 2HB ASN 627 -6.533 6.208 8.229 348 HD21 ASN 627 1HD2 ASN 627 -5.550 9.569 8.493 349 HD22 ASN 627 2HD2 ASN 627 -6.097 9.787 10.117 350 H LEU 628 H LEU 628 -6.051 6.901 4.925 351 HA LEU 628 HA LEU 628 -5.261 4.144 4.930 352 HB2 LEU 628 1HB LEU 628 -6.369 3.933 2.920 353 HB3 LEU 628 2HB LEU 628 -7.194 5.333 3.568 354 HG LEU 628 HG LEU 628 -5.512 6.693 2.116 355 HD11 LEU 628 1HD1 LEU 628 -4.054 4.843 1.501 356 HD12 LEU 628 2HD1 LEU 628 -4.838 5.516 0.074 357 HD13 LEU 628 3HD1 LEU 628 -5.414 4.001 0.760 358 HD21 LEU 628 3HD2 LEU 628 -7.633 5.065 0.734 359 HD22 LEU 628 1HD2 LEU 628 -7.075 6.683 0.317 360 HD23 LEU 628 2HD2 LEU 628 -7.988 6.417 1.803 361 H VAL 629 H VAL 629 -3.894 7.126 3.645 362 HA VAL 629 HA VAL 629 -1.778 5.932 2.181 363 HB VAL 629 HB VAL 629 -1.874 8.673 3.464 364 HG11 VAL 629 1HG1 VAL 629 0.403 7.980 2.909 365 HG12 VAL 629 2HG1 VAL 629 -0.145 9.279 1.849 366 HG13 VAL 629 3HG1 VAL 629 -0.107 7.618 1.259 367 HG21 VAL 629 3HG2 VAL 629 -2.528 9.467 1.236 368 HG22 VAL 629 1HG2 VAL 629 -3.711 8.340 1.902 369 HG23 VAL 629 2HG2 VAL 629 -2.578 7.800 0.663 370 H ALA 630 H ALA 630 -2.100 7.070 5.512 371 HA ALA 630 HA ALA 630 0.529 6.626 6.350 372 HB1 ALA 630 3HB ALA 630 -0.414 6.530 8.637 373 HB2 ALA 630 1HB ALA 630 -2.033 6.502 7.941 374 HB3 ALA 630 2HB ALA 630 -0.998 7.906 7.704 375 H TYR 631 H TYR 631 -2.238 4.424 6.137 376 HA TYR 631 HA TYR 631 -0.945 2.207 7.337 377 HB2 TYR 631 1HB TYR 631 -3.420 2.286 6.964 378 HB3 TYR 631 2HB TYR 631 -3.126 2.086 5.237 379 HD1 TYR 631 HD1 TYR 631 -2.145 0.481 8.460 380 HD2 TYR 631 HD2 TYR 631 -3.292 -0.072 4.401 381 HE1 TYR 631 HE1 TYR 631 -2.063 -1.952 8.779 382 HE2 TYR 631 HE2 TYR 631 -3.210 -2.513 4.712 383 HH TYR 631 HH TYR 631 -2.967 -3.971 7.794 384 H ALA 632 H ALA 632 -1.051 3.441 4.032 385 HA ALA 632 HA ALA 632 0.250 1.266 2.778 386 HB1 ALA 632 3HB ALA 632 -0.953 3.005 1.514 387 HB2 ALA 632 1HB ALA 632 0.704 2.814 0.944 388 HB3 ALA 632 2HB ALA 632 0.278 4.181 1.973 389 H LYS 633 H LYS 633 1.446 4.230 4.323 390 HA LYS 633 HA LYS 633 4.184 3.912 3.932 391 HB2 LYS 633 1HB LYS 633 2.612 5.045 6.243 392 HB3 LYS 633 2HB LYS 633 4.339 5.222 6.064 393 HG2 LYS 633 1HG LYS 633 2.128 6.456 4.482 394 HG3 LYS 633 2HG LYS 633 3.498 7.239 5.274 395 HD2 LYS 633 1HD LYS 633 4.991 6.136 3.604 396 HD3 LYS 633 2HD LYS 633 3.541 5.554 2.778 397 HE2 LYS 633 1HE LYS 633 4.338 7.556 1.691 398 HE3 LYS 633 2HE LYS 633 2.804 7.891 2.494 399 HZ1 LYS 633 3HZ LYS 633 5.489 8.567 3.567 400 HZ2 LYS 633 1HZ LYS 633 4.010 8.918 4.308 401 HZ3 LYS 633 2HZ LYS 633 4.420 9.659 2.847 402 H LYS 634 H LYS 634 2.111 2.839 6.559 403 HA LYS 634 HA LYS 634 3.933 1.484 8.144 404 HB2 LYS 634 1HB LYS 634 1.683 1.826 8.901 405 HB3 LYS 634 2HB LYS 634 1.025 0.924 7.547 406 HG2 LYS 634 1HG LYS 634 0.857 -0.389 9.543 407 HG3 LYS 634 2HG LYS 634 2.037 -1.127 8.461 408 HD2 LYS 634 1HD LYS 634 3.858 -0.208 9.762 409 HD3 LYS 634 2HD LYS 634 2.717 0.659 10.794 410 HE2 LYS 634 1HE LYS 634 3.534 -1.381 11.873 411 HE3 LYS 634 2HE LYS 634 1.797 -1.455 11.580 412 HZ1 LYS 634 3HZ LYS 634 3.887 -2.739 9.905 413 HZ2 LYS 634 1HZ LYS 634 2.222 -2.817 9.628 414 HZ3 LYS 634 2HZ LYS 634 2.883 -3.535 11.007 415 H VAL 635 H VAL 635 2.093 0.288 5.360 416 HA VAL 635 HA VAL 635 3.107 -2.305 5.289 417 HB VAL 635 HB VAL 635 2.013 -0.518 3.135 418 HG11 VAL 635 1HG1 VAL 635 3.649 -1.929 2.020 419 HG12 VAL 635 2HG1 VAL 635 2.015 -2.459 1.619 420 HG13 VAL 635 3HG1 VAL 635 2.969 -3.358 2.796 421 HG21 VAL 635 3HG2 VAL 635 0.445 -1.429 4.764 422 HG22 VAL 635 1HG2 VAL 635 1.025 -3.058 4.426 423 HG23 VAL 635 2HG2 VAL 635 0.180 -2.147 3.175 424 H GLU 636 H GLU 636 4.342 0.600 3.587 425 HA GLU 636 HA GLU 636 6.423 -0.677 2.238 426 HB2 GLU 636 1HB GLU 636 7.246 1.406 1.667 427 HB3 GLU 636 2HB GLU 636 5.588 1.807 2.077 428 HG2 GLU 636 1HG GLU 636 6.232 2.751 4.154 429 HG3 GLU 636 2HG GLU 636 7.849 2.066 4.040 430 H GLY 637 H GLY 637 6.325 0.652 5.498 431 HA2 GLY 637 1HA GLY 637 9.052 0.244 6.135 432 HA3 GLY 637 2HA GLY 637 7.747 0.400 7.300 433 H ASP 638 H ASP 638 6.196 -1.791 6.718 434 HA ASP 638 HA ASP 638 7.570 -3.779 8.167 435 HB2 ASP 638 1HB ASP 638 5.143 -3.521 8.287 436 HB3 ASP 638 2HB ASP 638 4.998 -4.004 6.599 437 H MET 639 H MET 639 6.737 -3.536 4.748 438 HA MET 639 HA MET 639 7.539 -6.093 3.937 439 HB2 MET 639 1HB MET 639 7.751 -3.523 2.327 440 HB3 MET 639 2HB MET 639 7.811 -5.155 1.665 441 HG2 MET 639 1HG MET 639 5.445 -3.962 3.106 442 HG3 MET 639 2HG MET 639 5.612 -4.046 1.347 443 HE1 MET 639 3HE MET 639 3.067 -5.283 2.944 444 HE2 MET 639 1HE MET 639 2.890 -6.733 1.958 445 HE3 MET 639 2HE MET 639 3.319 -5.199 1.199 446 H TYR 640 H TYR 640 9.378 -3.196 4.466 447 HA TYR 640 HA TYR 640 11.701 -3.704 3.158 448 HB2 TYR 640 1HB TYR 640 11.215 -1.617 4.461 449 HB3 TYR 640 2HB TYR 640 11.726 -2.477 5.911 450 HD1 TYR 640 HD2 TYR 640 13.070 -2.217 2.431 451 HD2 TYR 640 HD1 TYR 640 13.851 -1.764 6.595 452 HE1 TYR 640 HE2 TYR 640 15.404 -1.659 1.933 453 HE2 TYR 640 HE1 TYR 640 16.188 -1.210 6.096 454 HH TYR 640 HH TYR 640 17.833 -1.587 4.276 455 H GLU 641 H GLU 641 10.782 -5.299 6.199 456 HA GLU 641 HA GLU 641 13.419 -6.238 6.785 457 HB2 GLU 641 1HB GLU 641 10.695 -7.190 7.628 458 HB3 GLU 641 2HB GLU 641 12.140 -8.120 8.045 459 HG2 GLU 641 1HG GLU 641 11.791 -6.766 9.946 460 HG3 GLU 641 2HG GLU 641 12.987 -5.833 9.035 461 H SER 642 H SER 642 10.642 -7.860 5.255 462 HA SER 642 HA SER 642 12.115 -10.121 4.398 463 HB2 SER 642 1HB SER 642 9.647 -10.091 4.637 464 HB3 SER 642 2HB SER 642 9.545 -9.021 3.241 465 HG SER 642 HG SER 642 10.990 -11.023 2.432 466 H ALA 643 H ALA 643 11.271 -7.077 2.864 467 HA ALA 643 HA ALA 643 12.062 -7.484 0.263 468 HB1 ALA 643 3HB ALA 643 12.317 -4.902 1.758 469 HB2 ALA 643 1HB ALA 643 10.800 -5.556 1.143 470 HB3 ALA 643 2HB ALA 643 12.093 -5.121 0.026 471 H ASN 644 H ASN 644 14.220 -8.388 2.235 472 HA ASN 644 HA ASN 644 16.455 -6.638 1.741 473 HB2 ASN 644 1HB ASN 644 16.198 -8.318 3.726 474 HB3 ASN 644 2HB ASN 644 16.695 -9.550 2.564 475 HD21 ASN 644 1HD2 ASN 644 17.873 -6.229 2.600 476 HD22 ASN 644 2HD2 ASN 644 19.509 -6.612 3.019 477 H SER 645 H SER 645 14.724 -8.620 -0.211 478 HA SER 645 HA SER 645 16.957 -8.819 -2.108 479 HB2 SER 645 1HB SER 645 14.685 -10.803 -1.795 480 HB3 SER 645 2HB SER 645 15.969 -10.887 -2.998 481 HG SER 645 HG SER 645 17.035 -11.950 -1.547 482 H ARG 646 H ARG 646 16.494 -8.078 -4.168 483 HA ARG 646 HA ARG 646 14.491 -6.173 -4.477 484 HB2 ARG 646 1HB ARG 646 16.096 -7.681 -6.534 485 HB3 ARG 646 2HB ARG 646 14.996 -6.380 -6.960 486 HG2 ARG 646 1HG ARG 646 17.309 -6.080 -5.058 487 HG3 ARG 646 2HG ARG 646 17.379 -5.700 -6.780 488 HD2 ARG 646 1HD ARG 646 15.504 -4.440 -4.780 489 HD3 ARG 646 2HD ARG 646 16.977 -3.705 -5.401 490 HE ARG 646 HE ARG 646 14.963 -4.493 -7.357 491 HH11 ARG 646 1HH1 ARG 646 16.453 -1.925 -5.500 492 HH12 ARG 646 2HH1 ARG 646 15.829 -0.659 -6.507 493 HH21 ARG 646 1HH2 ARG 646 14.126 -2.838 -8.675 494 HH22 ARG 646 2HH2 ARG 646 14.505 -1.181 -8.321 495 H ASP 647 H ASP 647 14.578 -9.479 -5.761 496 HA ASP 647 HA ASP 647 12.128 -9.426 -7.109 497 HB2 ASP 647 1HB ASP 647 13.764 -11.199 -7.459 498 HB3 ASP 647 2HB ASP 647 13.559 -11.754 -5.800 499 H GLU 648 H GLU 648 12.904 -10.193 -3.774 500 HA GLU 648 HA GLU 648 10.410 -11.215 -2.984 501 HB2 GLU 648 1HB GLU 648 12.563 -11.382 -1.697 502 HB3 GLU 648 2HB GLU 648 12.351 -9.700 -1.230 503 HG2 GLU 648 1HG GLU 648 11.600 -11.081 0.560 504 HG3 GLU 648 2HG GLU 648 10.185 -10.327 -0.176 505 H TYR 649 H TYR 649 11.703 -7.912 -2.860 506 HA TYR 649 HA TYR 649 9.693 -6.725 -1.366 507 HB2 TYR 649 1HB TYR 649 11.923 -5.729 -2.148 508 HB3 TYR 649 2HB TYR 649 11.086 -5.312 -3.637 509 HD1 TYR 649 HD2 TYR 649 8.868 -5.104 -0.853 510 HD2 TYR 649 HD1 TYR 649 11.965 -2.993 -2.870 511 HE1 TYR 649 HE2 TYR 649 8.117 -3.012 0.192 512 HE2 TYR 649 HE1 TYR 649 11.222 -0.898 -1.825 513 HH TYR 649 HH TYR 649 9.005 -0.817 0.763 514 H TYR 650 H TYR 650 9.872 -7.094 -4.907 515 HA TYR 650 HA TYR 650 7.516 -5.756 -5.531 516 HB2 TYR 650 1HB TYR 650 9.173 -7.860 -6.890 517 HB3 TYR 650 2HB TYR 650 7.723 -7.218 -7.618 518 HD1 TYR 650 HD1 TYR 650 10.980 -6.134 -6.195 519 HD2 TYR 650 HD2 TYR 650 7.832 -5.282 -8.926 520 HE1 TYR 650 HE1 TYR 650 12.282 -4.256 -7.097 521 HE2 TYR 650 HE2 TYR 650 9.126 -3.397 -9.835 522 HH TYR 650 HH TYR 650 10.925 -1.921 -9.219 523 H HIS 651 H HIS 651 8.161 -9.045 -4.514 524 HA HIS 651 HA HIS 651 5.738 -10.212 -5.456 525 HB2 HIS 651 1HB HIS 651 7.877 -11.440 -4.924 526 HB3 HIS 651 2HB HIS 651 7.530 -11.181 -3.221 527 HD1 HIS 651 HD1 HIS 651 6.100 -12.903 -2.104 528 HD2 HIS 651 HD2 HIS 651 5.864 -13.083 -6.248 529 HE1 HIS 651 HE1 HIS 651 4.793 -14.988 -2.618 530 HE2 HIS 651 HE2 HIS 651 4.548 -15.001 -5.123 531 H LEU 652 H LEU 652 6.852 -8.878 -2.407 532 HA LEU 652 HA LEU 652 4.731 -9.714 -0.770 533 HB2 LEU 652 1HB LEU 652 6.438 -7.244 -0.488 534 HB3 LEU 652 2HB LEU 652 5.536 -8.034 0.790 535 HG LEU 652 HG LEU 652 7.817 -9.331 -0.696 536 HD11 LEU 652 1HD1 LEU 652 8.575 -7.357 0.538 537 HD12 LEU 652 2HD1 LEU 652 9.168 -8.852 1.259 538 HD13 LEU 652 3HD1 LEU 652 7.821 -7.989 2.003 539 HD21 LEU 652 3HD2 LEU 652 7.776 -10.925 1.141 540 HD22 LEU 652 1HD2 LEU 652 6.216 -10.884 0.323 541 HD23 LEU 652 2HD2 LEU 652 6.420 -10.069 1.874 542 H LEU 653 H LEU 653 5.311 -6.591 -2.332 543 HA LEU 653 HA LEU 653 2.923 -5.362 -1.555 544 HB2 LEU 653 1HB LEU 653 4.749 -4.884 -3.899 545 HB3 LEU 653 2HB LEU 653 3.368 -3.860 -3.546 546 HG LEU 653 HG LEU 653 5.348 -4.341 -1.373 547 HD11 LEU 653 1HD1 LEU 653 6.789 -3.838 -3.230 548 HD12 LEU 653 2HD1 LEU 653 6.675 -2.424 -2.186 549 HD13 LEU 653 3HD1 LEU 653 5.771 -2.479 -3.700 550 HD21 LEU 653 3HD2 LEU 653 3.738 -1.937 -2.227 551 HD22 LEU 653 1HD2 LEU 653 4.740 -2.055 -0.782 552 HD23 LEU 653 2HD2 LEU 653 3.302 -3.065 -0.942 553 H ALA 654 H ALA 654 3.701 -7.235 -4.462 554 HA ALA 654 HA ALA 654 1.364 -6.833 -5.904 555 HB1 ALA 654 3HB ALA 654 3.037 -9.338 -5.787 556 HB2 ALA 654 1HB ALA 654 3.342 -7.939 -6.815 557 HB3 ALA 654 2HB ALA 654 1.893 -8.914 -7.061 558 H GLU 655 H GLU 655 2.064 -9.303 -3.450 559 HA GLU 655 HA GLU 655 -0.354 -10.704 -3.625 560 HB2 GLU 655 1HB GLU 655 1.184 -11.829 -2.291 561 HB3 GLU 655 2HB GLU 655 1.636 -10.368 -1.409 562 HG2 GLU 655 1HG GLU 655 -0.495 -10.418 -0.228 563 HG3 GLU 655 2HG GLU 655 -0.975 -11.847 -1.139 564 H LYS 656 H LYS 656 0.501 -7.933 -1.591 565 HA LYS 656 HA LYS 656 -1.929 -7.904 -0.153 566 HB2 LYS 656 1HB LYS 656 0.115 -5.728 -0.594 567 HB3 LYS 656 2HB LYS 656 -1.212 -5.626 0.553 568 HG2 LYS 656 1HG LYS 656 1.048 -7.617 0.607 569 HG3 LYS 656 2HG LYS 656 0.836 -6.236 1.683 570 HD2 LYS 656 1HD LYS 656 -1.272 -7.233 2.499 571 HD3 LYS 656 2HD LYS 656 -0.987 -8.632 1.464 572 HE2 LYS 656 1HE LYS 656 0.818 -7.702 3.694 573 HE3 LYS 656 2HE LYS 656 -0.318 -9.047 3.789 574 HZ1 LYS 656 3HZ LYS 656 0.926 -10.181 2.051 575 HZ2 LYS 656 1HZ LYS 656 1.932 -9.806 3.359 576 HZ3 LYS 656 2HZ LYS 656 2.007 -8.882 1.949 577 H ILE 657 H ILE 657 -0.838 -6.168 -3.037 578 HA ILE 657 HA ILE 657 -3.102 -4.488 -3.248 579 HB ILE 657 HB ILE 657 -1.222 -5.469 -5.422 580 HG12 ILE 657 1HG1 ILE 657 -1.272 -2.887 -3.832 581 HG13 ILE 657 2HG1 ILE 657 -0.137 -4.210 -3.589 582 HG21 ILE 657 1HG2 ILE 657 -3.341 -4.666 -6.351 583 HG22 ILE 657 2HG2 ILE 657 -2.018 -3.564 -6.726 584 HG23 ILE 657 3HG2 ILE 657 -3.169 -3.160 -5.452 585 HD11 ILE 657 3HD1 ILE 657 0.864 -2.388 -4.844 586 HD12 ILE 657 1HD1 ILE 657 -0.384 -2.542 -6.081 587 HD13 ILE 657 2HD1 ILE 657 0.765 -3.853 -5.820 588 H TYR 658 H TYR 658 -2.371 -7.712 -4.555 589 HA TYR 658 HA TYR 658 -4.782 -7.968 -6.007 590 HB2 TYR 658 1HB TYR 658 -2.681 -9.487 -6.154 591 HB3 TYR 658 2HB TYR 658 -3.411 -10.366 -4.811 592 HD1 TYR 658 HD2 TYR 658 -4.606 -8.899 -8.046 593 HD2 TYR 658 HD1 TYR 658 -4.567 -12.306 -5.479 594 HE1 TYR 658 HE2 TYR 658 -6.037 -10.111 -9.626 595 HE2 TYR 658 HE1 TYR 658 -6.005 -13.507 -7.057 596 HH TYR 658 HH TYR 658 -7.644 -12.966 -8.837 597 H LYS 659 H LYS 659 -3.958 -8.629 -2.628 598 HA LYS 659 HA LYS 659 -6.280 -10.016 -1.906 599 HB2 LYS 659 1HB LYS 659 -4.548 -8.129 -0.307 600 HB3 LYS 659 2HB LYS 659 -5.883 -9.022 0.400 601 HG2 LYS 659 1HG LYS 659 -3.496 -10.260 -0.946 602 HG3 LYS 659 2HG LYS 659 -3.703 -10.076 0.796 603 HD2 LYS 659 1HD LYS 659 -5.847 -11.412 0.540 604 HD3 LYS 659 2HD LYS 659 -5.302 -11.783 -1.100 605 HE2 LYS 659 1HE LYS 659 -3.211 -12.702 -0.151 606 HE3 LYS 659 2HE LYS 659 -3.854 -12.412 1.465 607 HZ1 LYS 659 3HZ LYS 659 -4.187 -14.695 0.838 608 HZ2 LYS 659 1HZ LYS 659 -5.003 -14.231 -0.576 609 HZ3 LYS 659 2HZ LYS 659 -5.689 -13.916 0.936 610 H ILE 660 H ILE 660 -5.617 -6.547 -1.975 611 HA ILE 660 HA ILE 660 -8.172 -5.694 -1.152 612 HB ILE 660 HB ILE 660 -5.780 -4.437 -2.271 613 HG12 ILE 660 1HG1 ILE 660 -7.896 -3.450 -0.365 614 HG13 ILE 660 2HG1 ILE 660 -6.504 -4.424 0.098 615 HG21 ILE 660 1HG2 ILE 660 -7.267 -3.658 -4.015 616 HG22 ILE 660 2HG2 ILE 660 -6.944 -2.332 -2.901 617 HG23 ILE 660 3HG2 ILE 660 -8.479 -3.196 -2.823 618 HD11 ILE 660 3HD1 ILE 660 -6.167 -2.056 0.550 619 HD12 ILE 660 1HD1 ILE 660 -6.392 -1.700 -1.161 620 HD13 ILE 660 2HD1 ILE 660 -5.012 -2.664 -0.637 621 H GLN 661 H GLN 661 -6.868 -6.554 -4.297 622 HA GLN 661 HA GLN 661 -9.077 -5.603 -5.826 623 HB2 GLN 661 1HB GLN 661 -7.048 -7.751 -6.497 624 HB3 GLN 661 2HB GLN 661 -8.285 -7.185 -7.606 625 HG2 GLN 661 1HG GLN 661 -7.330 -4.876 -7.373 626 HG3 GLN 661 2HG GLN 661 -6.005 -5.590 -6.456 627 HE21 GLN 661 1HE2 GLN 661 -4.521 -6.905 -7.501 628 HE22 GLN 661 2HE2 GLN 661 -4.361 -6.917 -9.220 629 H LYS 662 H LYS 662 -8.305 -8.647 -4.259 630 HA LYS 662 HA LYS 662 -10.499 -10.195 -5.011 631 HB2 LYS 662 1HB LYS 662 -8.779 -11.260 -3.786 632 HB3 LYS 662 2HB LYS 662 -8.826 -10.051 -2.511 633 HG2 LYS 662 1HG LYS 662 -11.234 -10.943 -2.116 634 HG3 LYS 662 2HG LYS 662 -10.652 -12.357 -3.000 635 HD2 LYS 662 1HD LYS 662 -8.894 -12.706 -1.411 636 HD3 LYS 662 2HD LYS 662 -9.258 -11.181 -0.601 637 HE2 LYS 662 1HE LYS 662 -11.004 -13.633 -0.724 638 HE3 LYS 662 2HE LYS 662 -10.155 -13.010 0.689 639 HZ1 LYS 662 3HZ LYS 662 -12.423 -12.354 0.829 640 HZ2 LYS 662 1HZ LYS 662 -12.419 -11.737 -0.743 641 HZ3 LYS 662 2HZ LYS 662 -11.528 -10.961 0.471 642 H GLU 663 H GLU 663 -10.102 -7.922 -2.335 643 HA GLU 663 HA GLU 663 -12.670 -8.165 -1.231 644 HB2 GLU 663 1HB GLU 663 -10.725 -5.853 -1.204 645 HB3 GLU 663 2HB GLU 663 -12.199 -5.897 -0.251 646 HG2 GLU 663 1HG GLU 663 -9.897 -7.827 -0.027 647 HG3 GLU 663 2HG GLU 663 -10.258 -6.505 1.079 648 H LEU 664 H LEU 664 -11.375 -6.079 -3.751 649 HA LEU 664 HA LEU 664 -13.676 -4.509 -4.145 650 HB2 LEU 664 1HB LEU 664 -11.447 -5.198 -6.055 651 HB3 LEU 664 2HB LEU 664 -12.657 -3.959 -6.338 652 HG LEU 664 HG LEU 664 -10.618 -3.959 -4.107 653 HD11 LEU 664 1HD1 LEU 664 -9.664 -2.039 -5.276 654 HD12 LEU 664 2HD1 LEU 664 -10.837 -2.250 -6.579 655 HD13 LEU 664 3HD1 LEU 664 -9.623 -3.493 -6.276 656 HD21 LEU 664 3HD2 LEU 664 -12.734 -1.941 -4.834 657 HD22 LEU 664 1HD2 LEU 664 -11.440 -1.680 -3.665 658 HD23 LEU 664 2HD2 LEU 664 -12.662 -2.914 -3.365 659 H GLU 665 H GLU 665 -12.613 -7.549 -5.642 660 HA GLU 665 HA GLU 665 -14.850 -7.853 -7.345 661 HB2 GLU 665 1HB GLU 665 -13.159 -9.978 -6.008 662 HB3 GLU 665 2HB GLU 665 -14.287 -10.264 -7.325 663 HG2 GLU 665 1HG GLU 665 -12.945 -8.754 -8.746 664 HG3 GLU 665 2HG GLU 665 -11.784 -8.599 -7.429 665 H GLU 666 H GLU 666 -14.219 -8.885 -4.037 666 HA GLU 666 HA GLU 666 -16.550 -10.390 -3.639 667 HB2 GLU 666 1HB GLU 666 -14.529 -10.524 -2.233 668 HB3 GLU 666 2HB GLU 666 -14.892 -8.932 -1.581 669 HG2 GLU 666 1HG GLU 666 -16.987 -9.801 -0.655 670 HG3 GLU 666 2HG GLU 666 -16.590 -11.399 -1.285 671 H LYS 667 H LYS 667 -15.902 -6.961 -2.984 672 HA LYS 667 HA LYS 667 -18.146 -6.441 -1.421 673 HB2 LYS 667 1HB LYS 667 -17.849 -4.062 -2.077 674 HB3 LYS 667 2HB LYS 667 -16.394 -4.837 -1.469 675 HG2 LYS 667 1HG LYS 667 -15.315 -4.247 -3.284 676 HG3 LYS 667 2HG LYS 667 -16.454 -5.150 -4.286 677 HD2 LYS 667 1HD LYS 667 -17.967 -3.185 -4.250 678 HD3 LYS 667 2HD LYS 667 -16.732 -2.287 -3.369 679 HE2 LYS 667 1HE LYS 667 -15.189 -2.594 -5.258 680 HE3 LYS 667 2HE LYS 667 -16.451 -3.461 -6.138 681 HZ1 LYS 667 3HZ LYS 667 -17.819 -1.477 -6.074 682 HZ2 LYS 667 1HZ LYS 667 -16.332 -1.159 -6.824 683 HZ3 LYS 667 2HZ LYS 667 -16.606 -0.637 -5.240 684 H ARG 668 H ARG 668 -17.861 -6.527 -4.922 685 HA ARG 668 HA ARG 668 -20.289 -5.286 -5.521 686 HB2 ARG 668 1HB ARG 668 -18.362 -5.759 -7.107 687 HB3 ARG 668 2HB ARG 668 -18.994 -7.394 -7.226 688 HG2 ARG 668 1HG ARG 668 -21.055 -6.586 -8.164 689 HG3 ARG 668 2HG ARG 668 -20.555 -4.913 -7.913 690 HD2 ARG 668 1HD ARG 668 -20.187 -5.394 -10.202 691 HD3 ARG 668 2HD ARG 668 -18.603 -5.386 -9.428 692 HE ARG 668 HE ARG 668 -19.787 -7.996 -9.569 693 HH11 ARG 668 1HH1 ARG 668 -17.827 -5.639 -11.250 694 HH12 ARG 668 2HH1 ARG 668 -17.170 -6.791 -12.366 695 HH21 ARG 668 1HH2 ARG 668 -18.914 -9.526 -11.032 696 HH22 ARG 668 2HH2 ARG 668 -17.800 -9.001 -12.255 697 H ARG 669 H ARG 669 -19.890 -7.951 -3.861 698 HA ARG 669 HA ARG 669 -21.670 -9.862 -4.431 699 HB2 ARG 669 1HB ARG 669 -20.460 -9.795 -2.316 700 HB3 ARG 669 2HB ARG 669 -21.469 -8.469 -1.762 701 HG2 ARG 669 1HG ARG 669 -23.429 -9.946 -1.833 702 HG3 ARG 669 2HG ARG 669 -22.390 -11.277 -2.344 703 HD2 ARG 669 1HD ARG 669 -22.064 -9.737 0.224 704 HD3 ARG 669 2HD ARG 669 -22.909 -11.278 0.087 705 HE ARG 669 HE ARG 669 -20.663 -12.109 -0.803 706 HH11 ARG 669 1HH1 ARG 669 -20.975 -9.541 1.569 707 HH12 ARG 669 2HH1 ARG 669 -19.468 -9.908 2.347 708 HH21 ARG 669 1HH2 ARG 669 -18.683 -12.594 0.236 709 HH22 ARG 669 2HH2 ARG 669 -18.177 -11.647 1.599 710 H SER 670 H SER 670 -22.622 -6.592 -3.412 711 HA SER 670 HA SER 670 -25.335 -7.389 -4.187 712 HB2 SER 670 1HB SER 670 -25.305 -7.020 -1.796 713 HB3 SER 670 2HB SER 670 -24.636 -5.410 -1.995 714 HG SER 670 HG SER 670 -26.593 -4.723 -2.245 715 H ARG 671 H ARG 671 -23.057 -4.589 -4.234 716 HA ARG 671 HA ARG 671 -24.222 -3.834 -6.756 717 HB2 ARG 671 1HB ARG 671 -25.702 -2.738 -5.122 718 HB3 ARG 671 2HB ARG 671 -24.310 -1.940 -4.408 719 HG2 ARG 671 1HG ARG 671 -23.910 -0.802 -6.574 720 HG3 ARG 671 2HG ARG 671 -25.400 -1.523 -7.182 721 HD2 ARG 671 1HD ARG 671 -25.845 0.727 -6.437 722 HD3 ARG 671 2HD ARG 671 -26.642 -0.414 -5.355 723 HE ARG 671 HE ARG 671 -24.105 0.213 -4.324 724 HH11 ARG 671 1HH1 ARG 671 -27.223 1.719 -4.837 725 HH12 ARG 671 2HH1 ARG 671 -27.060 2.806 -3.493 726 HH21 ARG 671 1HH2 ARG 671 -23.877 1.655 -2.569 727 HH22 ARG 671 2HH2 ARG 671 -25.149 2.783 -2.215 728 H LEU 672 H LEU 672 -22.764 -3.147 -8.060 729 HA LEU 672 HA LEU 672 -20.653 -2.606 -8.888 730 HB2 LEU 672 1HB LEU 672 -21.460 -0.225 -7.222 731 HB3 LEU 672 2HB LEU 672 -20.187 -0.183 -8.426 732 HG LEU 672 HG LEU 672 -23.107 -0.755 -8.963 733 HD11 LEU 672 1HD1 LEU 672 -22.755 1.559 -8.391 734 HD12 LEU 672 2HD1 LEU 672 -23.040 1.418 -10.125 735 HD13 LEU 672 3HD1 LEU 672 -21.405 1.668 -9.517 736 HD21 LEU 672 3HD2 LEU 672 -21.712 -1.952 -10.533 737 HD22 LEU 672 1HD2 LEU 672 -20.760 -0.501 -10.841 738 HD23 LEU 672 2HD2 LEU 672 -22.452 -0.568 -11.335 739 H1 ASP 840 1H ASP 840 0.371 -16.139 4.560 740 HA ASP 840 HA ASP 840 -1.619 -15.145 4.053 741 HB2 ASP 840 1HB ASP 840 -1.829 -17.524 2.759 742 HB3 ASP 840 2HB ASP 840 -3.043 -17.804 4.009 743 H ALA 841 H ALA 841 -0.853 -15.610 6.749 744 HA ALA 841 HA ALA 841 -3.259 -16.257 8.224 745 HB1 ALA 841 3HB ALA 841 -0.608 -15.184 9.185 746 HB2 ALA 841 1HB ALA 841 -1.078 -16.882 9.134 747 HB3 ALA 841 2HB ALA 841 -1.919 -15.767 10.210 748 H GLY 842 H GLY 842 -4.459 -14.572 7.029 749 HA2 GLY 842 1HA GLY 842 -5.550 -12.564 7.028 750 HA3 GLY 842 2HA GLY 842 -4.739 -12.173 8.544 751 H ASN 843 H ASN 843 -3.997 -12.639 5.149 752 HA ASN 843 HA ASN 843 -2.024 -10.471 5.257 753 HB2 ASN 843 1HB ASN 843 -2.568 -12.626 3.204 754 HB3 ASN 843 2HB ASN 843 -1.455 -11.287 2.913 755 HD21 ASN 843 1HD2 ASN 843 0.386 -12.660 2.747 756 HD22 ASN 843 2HD2 ASN 843 1.038 -13.497 4.126 757 H ILE 844 H ILE 844 -4.978 -10.241 5.254 758 HA ILE 844 HA ILE 844 -5.426 -8.792 2.733 759 HB ILE 844 HB ILE 844 -7.526 -9.486 4.824 760 HG12 ILE 844 1HG1 ILE 844 -6.809 -10.928 2.251 761 HG13 ILE 844 2HG1 ILE 844 -6.584 -11.548 3.882 762 HG21 ILE 844 1HG2 ILE 844 -9.102 -9.027 2.980 763 HG22 ILE 844 2HG2 ILE 844 -7.744 -8.500 1.989 764 HG23 ILE 844 3HG2 ILE 844 -8.158 -7.614 3.452 765 HD11 ILE 844 3HD1 ILE 844 -9.218 -10.940 2.566 766 HD12 ILE 844 1HD1 ILE 844 -9.002 -11.562 4.202 767 HD13 ILE 844 2HD1 ILE 844 -8.518 -12.539 2.817 768 H LEU 845 H LEU 845 -6.130 -6.622 2.769 769 HA LEU 845 HA LEU 845 -5.047 -5.143 4.983 770 HB2 LEU 845 1HB LEU 845 -6.318 -4.256 2.392 771 HB3 LEU 845 2HB LEU 845 -5.718 -3.142 3.605 772 HG LEU 845 HG LEU 845 -3.487 -4.535 3.292 773 HD11 LEU 845 1HD1 LEU 845 -4.524 -6.127 1.705 774 HD12 LEU 845 2HD1 LEU 845 -3.124 -5.286 1.051 775 HD13 LEU 845 3HD1 LEU 845 -4.746 -4.796 0.564 776 HD21 LEU 845 3HD2 LEU 845 -2.716 -2.864 1.733 777 HD22 LEU 845 1HD2 LEU 845 -3.782 -2.120 2.923 778 HD23 LEU 845 2HD2 LEU 845 -4.376 -2.461 1.301 779 HA PRO 846 HA PRO 846 -8.303 -4.867 7.808 780 HB2 PRO 846 1HB PRO 846 -7.774 -1.935 7.468 781 HB3 PRO 846 2HB PRO 846 -8.039 -2.857 8.952 782 HG2 PRO 846 1HG PRO 846 -5.576 -2.211 8.143 783 HG3 PRO 846 2HG PRO 846 -5.919 -3.762 8.932 784 HD2 PRO 846 1HD PRO 846 -5.219 -3.203 6.132 785 HD3 PRO 846 2HD PRO 846 -5.118 -4.724 7.038 786 H SER 847 H SER 847 -10.345 -5.038 7.562 787 HA SER 847 HA SER 847 -11.908 -4.263 5.419 788 HB2 SER 847 1HB SER 847 -12.786 -4.740 8.277 789 HB3 SER 847 2HB SER 847 -13.804 -4.854 6.841 790 HG SER 847 HG SER 847 -12.232 -6.501 6.123 791 H ASP 848 H ASP 848 -11.210 -2.603 8.441 792 HA ASP 848 HA ASP 848 -13.184 -0.628 8.368 793 HB2 ASP 848 1HB ASP 848 -11.647 -1.190 10.293 794 HB3 ASP 848 2HB ASP 848 -10.399 -0.251 9.477 795 H ILE 849 H ILE 849 -9.853 -0.517 7.098 796 HA ILE 849 HA ILE 849 -10.040 2.106 6.051 797 HB ILE 849 HB ILE 849 -8.227 -0.107 5.046 798 HG12 ILE 849 1HG1 ILE 849 -7.967 0.215 7.472 799 HG13 ILE 849 2HG1 ILE 849 -6.551 0.790 6.603 800 HG21 ILE 849 1HG2 ILE 849 -8.032 2.900 4.860 801 HG22 ILE 849 2HG2 ILE 849 -8.355 1.785 3.531 802 HG23 ILE 849 3HG2 ILE 849 -6.786 1.766 4.340 803 HD11 ILE 849 3HD1 ILE 849 -7.349 3.095 6.854 804 HD12 ILE 849 1HD1 ILE 849 -7.132 2.292 8.409 805 HD13 ILE 849 2HD1 ILE 849 -8.752 2.503 7.745 806 H MET 850 H MET 850 -10.636 -1.083 4.675 807 HA MET 850 HA MET 850 -11.197 -0.399 2.047 808 HB2 MET 850 1HB MET 850 -12.430 -2.545 3.781 809 HB3 MET 850 2HB MET 850 -12.693 -2.433 2.049 810 HG2 MET 850 1HG MET 850 -9.909 -2.580 3.110 811 HG3 MET 850 2HG MET 850 -10.891 -4.038 3.030 812 HE1 MET 850 3HE MET 850 -10.720 -0.980 0.260 813 HE2 MET 850 1HE MET 850 -9.276 -1.609 -0.526 814 HE3 MET 850 2HE MET 850 -9.222 -1.151 1.178 815 H ASP 851 H ASP 851 -13.217 -0.189 4.904 816 HA ASP 851 HA ASP 851 -15.703 0.229 3.751 817 HB2 ASP 851 1HB ASP 851 -14.512 1.317 6.321 818 HB3 ASP 851 2HB ASP 851 -16.186 1.625 5.854 819 H PHE 852 H PHE 852 -13.040 2.521 4.162 820 HA PHE 852 HA PHE 852 -14.439 4.902 3.825 821 HB2 PHE 852 1HB PHE 852 -11.633 4.233 2.909 822 HB3 PHE 852 2HB PHE 852 -12.300 5.855 2.970 823 HD1 PHE 852 HD1 PHE 852 -13.829 5.044 5.685 824 HD2 PHE 852 HD2 PHE 852 -9.798 5.001 4.324 825 HE1 PHE 852 HE1 PHE 852 -13.048 5.287 8.001 826 HE2 PHE 852 HE2 PHE 852 -9.010 5.234 6.641 827 HZ PHE 852 HZ PHE 852 -10.637 5.381 8.482 828 H VAL 853 H VAL 853 -12.862 2.936 1.268 829 HA VAL 853 HA VAL 853 -13.911 4.538 -0.833 830 HB VAL 853 HB VAL 853 -11.911 3.254 -1.252 831 HG11 VAL 853 1HG1 VAL 853 -12.318 1.333 0.174 832 HG12 VAL 853 2HG1 VAL 853 -11.929 0.820 -1.469 833 HG13 VAL 853 3HG1 VAL 853 -13.600 0.785 -0.905 834 HG21 VAL 853 3HG2 VAL 853 -13.331 3.766 -3.163 835 HG22 VAL 853 1HG2 VAL 853 -14.217 2.259 -2.927 836 HG23 VAL 853 2HG2 VAL 853 -12.516 2.217 -3.392 837 H LEU 854 H LEU 854 -14.980 1.573 0.730 838 HA LEU 854 HA LEU 854 -17.040 0.848 -1.006 839 HB2 LEU 854 1HB LEU 854 -16.434 0.350 1.860 840 HB3 LEU 854 2HB LEU 854 -18.060 0.003 1.317 841 HG LEU 854 HG LEU 854 -16.441 -1.945 1.366 842 HD11 LEU 854 1HD1 LEU 854 -17.301 -2.942 -0.643 843 HD12 LEU 854 2HD1 LEU 854 -17.717 -1.364 -1.304 844 HD13 LEU 854 3HD1 LEU 854 -18.565 -1.979 0.116 845 HD21 LEU 854 3HD2 LEU 854 -14.938 -2.204 -0.535 846 HD22 LEU 854 1HD2 LEU 854 -14.490 -0.813 0.450 847 HD23 LEU 854 2HD2 LEU 854 -15.334 -0.574 -1.079 848 H LYS 855 H LYS 855 -16.995 3.211 1.612 849 HA LYS 855 HA LYS 855 -19.871 3.720 1.148 850 HB2 LYS 855 1HB LYS 855 -19.171 3.042 3.454 851 HB3 LYS 855 2HB LYS 855 -18.189 4.493 3.543 852 HG2 LYS 855 1HG LYS 855 -20.222 5.866 3.327 853 HG3 LYS 855 2HG LYS 855 -21.206 4.398 3.296 854 HD2 LYS 855 1HD LYS 855 -21.179 5.377 5.526 855 HD3 LYS 855 2HD LYS 855 -20.376 3.807 5.525 856 HE2 LYS 855 1HE LYS 855 -18.202 4.898 5.468 857 HE3 LYS 855 2HE LYS 855 -18.980 6.479 5.399 858 HZ1 LYS 855 3HZ LYS 855 -18.222 5.903 7.633 859 HZ2 LYS 855 1HZ LYS 855 -19.233 4.550 7.640 860 HZ3 LYS 855 2HZ LYS 855 -19.898 6.102 7.582 861 H ASN 856 H ASN 856 -17.767 4.713 -0.571 862 HA ASN 856 HA ASN 856 -18.367 7.574 -0.287 863 HB2 ASN 856 1HB ASN 856 -16.100 7.375 0.527 864 HB3 ASN 856 2HB ASN 856 -15.638 6.404 -0.866 865 HD21 ASN 856 1HD2 ASN 856 -16.570 9.604 0.208 866 HD22 ASN 856 2HD2 ASN 856 -15.899 10.455 -1.141 867 H THR 857 H THR 857 -18.908 8.572 -2.151 868 HA THR 857 HA THR 857 -18.752 6.972 -4.603 869 HB THR 857 HB THR 857 -20.598 9.314 -4.121 870 HG1 THR 857 HG1 THR 857 -20.846 7.376 -2.667 871 HG21 THR 857 1HG2 THR 857 -20.198 8.661 -6.468 872 HG22 THR 857 2HG2 THR 857 -21.863 8.357 -5.971 873 HG23 THR 857 3HG2 THR 857 -20.717 7.020 -6.086 874 HA PRO 858 HA PRO 858 -15.595 10.197 -5.227 875 HB2 PRO 858 1HB PRO 858 -14.285 8.861 -7.215 876 HB3 PRO 858 2HB PRO 858 -14.014 8.577 -5.494 877 HG2 PRO 858 1HG PRO 858 -15.644 7.010 -7.439 878 HG3 PRO 858 2HG PRO 858 -14.610 6.435 -6.120 879 HD2 PRO 858 1HD PRO 858 -17.318 6.560 -5.946 880 HD3 PRO 858 2HD PRO 858 -16.247 6.735 -4.542 Start of MODEL 12 1 H1 GLY 586 1H GLY 586 25.087 -8.613 1.643 2 HA2 GLY 586 1HA GLY 586 23.098 -7.954 2.667 3 HA3 GLY 586 2HA GLY 586 22.781 -9.636 3.074 4 H VAL 587 H VAL 587 23.861 -6.635 4.225 5 HA VAL 587 HA VAL 587 24.523 -7.766 6.816 6 HB VAL 587 HB VAL 587 26.555 -6.270 6.993 7 HG11 VAL 587 1HG1 VAL 587 26.689 -8.528 4.998 8 HG12 VAL 587 2HG1 VAL 587 26.798 -8.674 6.752 9 HG13 VAL 587 3HG1 VAL 587 28.066 -7.836 5.856 10 HG21 VAL 587 3HG2 VAL 587 26.105 -4.828 5.082 11 HG22 VAL 587 1HG2 VAL 587 26.299 -6.198 3.990 12 HG23 VAL 587 2HG2 VAL 587 27.677 -5.611 4.920 13 H ARG 588 H ARG 588 24.745 -5.959 8.450 14 HA ARG 588 HA ARG 588 22.471 -4.255 8.124 15 HB2 ARG 588 1HB ARG 588 22.802 -3.650 10.447 16 HB3 ARG 588 2HB ARG 588 22.997 -5.383 10.267 17 HG2 ARG 588 1HG ARG 588 24.764 -4.964 11.636 18 HG3 ARG 588 2HG ARG 588 25.555 -4.695 10.070 19 HD2 ARG 588 1HD ARG 588 26.069 -2.920 11.689 20 HD3 ARG 588 2HD ARG 588 25.201 -2.303 10.284 21 HE ARG 588 HE ARG 588 23.669 -2.964 12.689 22 HH11 ARG 588 1HH1 ARG 588 24.948 -0.536 10.518 23 HH12 ARG 588 2HH1 ARG 588 23.976 0.742 11.168 24 HH21 ARG 588 1HH2 ARG 588 22.368 -1.287 13.537 25 HH22 ARG 588 2HH2 ARG 588 22.497 0.314 12.878 26 H LYS 589 H LYS 589 25.318 -3.826 6.811 27 HA LYS 589 HA LYS 589 24.988 -0.905 6.902 28 HB2 LYS 589 1HB LYS 589 27.043 -1.304 7.996 29 HB3 LYS 589 2HB LYS 589 27.507 -2.557 6.846 30 HG2 LYS 589 1HG LYS 589 27.661 -0.769 5.099 31 HG3 LYS 589 2HG LYS 589 27.385 0.418 6.374 32 HD2 LYS 589 1HD LYS 589 29.674 -1.544 6.242 33 HD3 LYS 589 2HD LYS 589 29.766 0.182 5.888 34 HE2 LYS 589 1HE LYS 589 29.115 0.686 8.191 35 HE3 LYS 589 2HE LYS 589 29.016 -1.039 8.542 36 HZ1 LYS 589 3HZ LYS 589 31.103 -0.148 9.304 37 HZ2 LYS 589 1HZ LYS 589 31.461 0.450 7.763 38 HZ3 LYS 589 2HZ LYS 589 31.382 -1.217 8.027 39 H GLY 590 H GLY 590 24.420 -0.088 4.925 40 HA2 GLY 590 1HA GLY 590 24.547 0.056 2.565 41 HA3 GLY 590 2HA GLY 590 25.212 -1.577 2.523 42 H TRP 591 H TRP 591 22.315 -0.093 3.912 43 HA TRP 591 HA TRP 591 20.801 -2.492 3.292 44 HB2 TRP 591 1HB TRP 591 19.247 -0.310 4.405 45 HB3 TRP 591 2HB TRP 591 19.508 -1.931 5.033 46 HD1 TRP 591 HD1 TRP 591 21.173 -2.196 7.013 47 HE1 TRP 591 HE1 TRP 591 22.494 -0.536 8.466 48 HE3 TRP 591 HE3 TRP 591 20.562 2.014 4.187 49 HZ2 TRP 591 HZ2 TRP 591 23.215 2.197 8.402 50 HZ3 TRP 591 HZ3 TRP 591 21.602 4.108 4.950 51 HH2 TRP 591 HH2 TRP 591 22.898 4.195 7.015 52 H HIS 592 H HIS 592 20.296 0.997 2.814 53 HA HIS 592 HA HIS 592 17.987 0.455 1.174 54 HB2 HIS 592 1HB HIS 592 19.145 2.846 2.466 55 HB3 HIS 592 2HB HIS 592 18.241 3.136 0.983 56 HD1 HIS 592 HD1 HIS 592 17.660 3.451 4.339 57 HD2 HIS 592 HD2 HIS 592 15.633 1.371 1.361 58 HE1 HIS 592 HE1 HIS 592 15.303 3.200 5.171 59 HE2 HIS 592 HE2 HIS 592 14.095 1.920 3.369 60 H GLU 593 H GLU 593 21.154 0.352 0.284 61 HA GLU 593 HA GLU 593 21.248 2.320 -1.715 62 HB2 GLU 593 1HB GLU 593 23.272 1.180 -2.463 63 HB3 GLU 593 2HB GLU 593 23.244 1.384 -0.722 64 HG2 GLU 593 1HG GLU 593 23.954 -0.740 -0.743 65 HG3 GLU 593 2HG GLU 593 22.232 -1.088 -0.889 66 H HIS 594 H HIS 594 20.615 -1.200 -1.980 67 HA HIS 594 HA HIS 594 20.046 -1.110 -4.723 68 HB2 HIS 594 1HB HIS 594 18.955 -3.353 -4.370 69 HB3 HIS 594 2HB HIS 594 20.622 -3.216 -3.811 70 HD1 HIS 594 HD1 HIS 594 17.145 -3.830 -2.607 71 HD2 HIS 594 HD2 HIS 594 20.956 -3.342 -1.018 72 HE1 HIS 594 HE1 HIS 594 16.993 -4.623 -0.229 73 HE2 HIS 594 HE2 HIS 594 19.270 -4.175 0.753 74 H VAL 595 H VAL 595 18.229 0.494 -2.539 75 HA VAL 595 HA VAL 595 15.941 0.294 -4.377 76 HB VAL 595 HB VAL 595 15.724 0.547 -1.367 77 HG11 VAL 595 1HG1 VAL 595 13.596 0.639 -3.505 78 HG12 VAL 595 2HG1 VAL 595 14.043 1.924 -2.384 79 HG13 VAL 595 3HG1 VAL 595 13.270 0.458 -1.782 80 HG21 VAL 595 3HG2 VAL 595 14.818 -1.659 -3.215 81 HG22 VAL 595 1HG2 VAL 595 14.530 -1.584 -1.476 82 HG23 VAL 595 2HG2 VAL 595 16.176 -1.740 -2.092 83 H THR 596 H THR 596 15.310 2.230 -5.158 84 HA THR 596 HA THR 596 16.498 4.623 -4.015 85 HB THR 596 HB THR 596 16.657 4.578 -6.381 86 HG1 THR 596 HG1 THR 596 15.454 6.430 -6.962 87 HG21 THR 596 1HG2 THR 596 14.925 2.888 -6.813 88 HG22 THR 596 2HG2 THR 596 14.774 4.276 -7.886 89 HG23 THR 596 3HG2 THR 596 13.684 4.099 -6.514 90 H GLN 597 H GLN 597 15.227 6.468 -3.418 91 HA GLN 597 HA GLN 597 13.029 5.852 -1.772 92 HB2 GLN 597 1HB GLN 597 14.513 7.813 -1.446 93 HB3 GLN 597 2HB GLN 597 13.839 8.543 -2.896 94 HG2 GLN 597 1HG GLN 597 12.852 9.503 -0.908 95 HG3 GLN 597 2HG GLN 597 11.642 8.623 -1.841 96 HE21 GLN 597 1HE2 GLN 597 13.529 8.684 1.068 97 HE22 GLN 597 2HE2 GLN 597 12.651 7.467 1.909 98 H ASP 598 H ASP 598 13.319 7.098 -5.020 99 HA ASP 598 HA ASP 598 10.674 7.784 -5.562 100 HB2 ASP 598 1HB ASP 598 12.559 8.297 -7.064 101 HB3 ASP 598 2HB ASP 598 12.711 6.591 -7.454 102 H LEU 599 H LEU 599 12.305 4.642 -5.809 103 HA LEU 599 HA LEU 599 10.203 3.158 -6.865 104 HB2 LEU 599 1HB LEU 599 12.638 2.457 -6.487 105 HB3 LEU 599 2HB LEU 599 12.169 2.103 -4.834 106 HG LEU 599 HG LEU 599 10.520 0.467 -5.667 107 HD11 LEU 599 1HD1 LEU 599 10.624 -0.192 -8.038 108 HD12 LEU 599 2HD1 LEU 599 11.701 1.172 -8.344 109 HD13 LEU 599 3HD1 LEU 599 10.047 1.457 -7.811 110 HD21 LEU 599 3HD2 LEU 599 12.736 -0.308 -5.046 111 HD22 LEU 599 1HD2 LEU 599 13.343 0.066 -6.658 112 HD23 LEU 599 2HD2 LEU 599 12.148 -1.212 -6.440 113 H ARG 600 H ARG 600 11.097 3.781 -3.503 114 HA ARG 600 HA ARG 600 9.123 2.232 -2.274 115 HB2 ARG 600 1HB ARG 600 10.517 4.743 -1.335 116 HB3 ARG 600 2HB ARG 600 9.495 3.748 -0.307 117 HG2 ARG 600 1HG ARG 600 10.986 1.911 -0.449 118 HG3 ARG 600 2HG ARG 600 11.915 2.682 -1.735 119 HD2 ARG 600 1HD ARG 600 13.023 2.787 0.477 120 HD3 ARG 600 2HD ARG 600 12.706 4.374 -0.221 121 HE ARG 600 HE ARG 600 10.570 3.601 1.479 122 HH11 ARG 600 1HH1 ARG 600 13.887 4.732 1.571 123 HH12 ARG 600 2HH1 ARG 600 13.713 5.493 3.122 124 HH21 ARG 600 1HH2 ARG 600 10.324 4.598 3.477 125 HH22 ARG 600 2HH2 ARG 600 11.670 5.418 4.222 126 H SER 601 H SER 601 9.096 5.709 -3.079 127 HA SER 601 HA SER 601 6.493 6.165 -2.077 128 HB2 SER 601 1HB SER 601 6.619 8.274 -3.435 129 HB3 SER 601 2HB SER 601 7.990 8.025 -2.355 130 HG SER 601 HG SER 601 9.172 8.219 -4.067 131 H HIS 602 H HIS 602 7.726 5.336 -5.276 132 HA HIS 602 HA HIS 602 5.414 5.671 -6.786 133 HB2 HIS 602 1HB HIS 602 7.817 5.042 -7.528 134 HB3 HIS 602 2HB HIS 602 7.307 3.380 -7.262 135 HD1 HIS 602 HD1 HIS 602 7.806 5.455 -9.956 136 HD2 HIS 602 HD2 HIS 602 4.534 3.179 -8.767 137 HE1 HIS 602 HE1 HIS 602 6.440 5.097 -12.032 138 HE2 HIS 602 HE2 HIS 602 4.424 3.793 -11.278 139 H LEU 603 H LEU 603 6.592 2.772 -5.134 140 HA LEU 603 HA LEU 603 4.375 1.151 -5.774 141 HB2 LEU 603 1HB LEU 603 6.283 0.846 -3.456 142 HB3 LEU 603 2HB LEU 603 5.253 -0.399 -4.135 143 HG LEU 603 HG LEU 603 7.441 0.968 -5.702 144 HD11 LEU 603 1HD1 LEU 603 8.798 -0.985 -5.343 145 HD12 LEU 603 2HD1 LEU 603 7.537 -1.722 -4.357 146 HD13 LEU 603 3HD1 LEU 603 8.366 -0.274 -3.789 147 HD21 LEU 603 3HD2 LEU 603 5.666 -0.006 -7.056 148 HD22 LEU 603 1HD2 LEU 603 5.854 -1.545 -6.212 149 HD23 LEU 603 2HD2 LEU 603 7.162 -0.925 -7.220 150 H VAL 604 H VAL 604 5.060 3.278 -3.060 151 HA VAL 604 HA VAL 604 2.952 2.385 -1.385 152 HB VAL 604 HB VAL 604 4.597 4.905 -1.446 153 HG11 VAL 604 1HG1 VAL 604 3.513 5.658 0.589 154 HG12 VAL 604 2HG1 VAL 604 2.415 4.281 0.543 155 HG13 VAL 604 3HG1 VAL 604 2.325 5.522 -0.706 156 HG21 VAL 604 3HG2 VAL 604 5.406 4.047 0.703 157 HG22 VAL 604 1HG2 VAL 604 5.653 2.879 -0.594 158 HG23 VAL 604 2HG2 VAL 604 4.330 2.660 0.552 159 H HIS 605 H HIS 605 3.211 5.051 -3.728 160 HA HIS 605 HA HIS 605 0.597 6.050 -3.292 161 HB2 HIS 605 1HB HIS 605 2.422 6.288 -5.680 162 HB3 HIS 605 2HB HIS 605 0.838 7.049 -5.619 163 HD1 HIS 605 HD1 HIS 605 1.729 9.427 -5.676 164 HD2 HIS 605 HD2 HIS 605 3.232 7.182 -2.514 165 HE1 HIS 605 HE1 HIS 605 2.896 11.068 -4.173 166 HE2 HIS 605 HE2 HIS 605 3.926 9.666 -2.357 167 H LYS 606 H LYS 606 1.892 3.602 -5.483 168 HA LYS 606 HA LYS 606 -0.474 3.123 -6.924 169 HB2 LYS 606 1HB LYS 606 1.721 2.273 -7.639 170 HB3 LYS 606 2HB LYS 606 1.758 1.195 -6.250 171 HG2 LYS 606 1HG LYS 606 -0.204 0.022 -7.102 172 HG3 LYS 606 2HG LYS 606 -0.251 1.107 -8.492 173 HD2 LYS 606 1HD LYS 606 1.952 0.313 -9.189 174 HD3 LYS 606 2HD LYS 606 2.014 -0.760 -7.788 175 HE2 LYS 606 1HE LYS 606 0.049 -1.953 -8.608 176 HE3 LYS 606 2HE LYS 606 -0.039 -0.870 -9.995 177 HZ1 LYS 606 3HZ LYS 606 2.135 -1.673 -10.698 178 HZ2 LYS 606 1HZ LYS 606 1.022 -2.941 -10.585 179 HZ3 LYS 606 2HZ LYS 606 2.188 -2.733 -9.381 180 H LEU 607 H LEU 607 0.766 1.793 -3.896 181 HA LEU 607 HA LEU 607 -1.240 -0.123 -3.467 182 HB2 LEU 607 1HB LEU 607 1.013 0.305 -2.241 183 HB3 LEU 607 2HB LEU 607 0.088 1.414 -1.250 184 HG LEU 607 HG LEU 607 -0.696 -1.479 -1.549 185 HD11 LEU 607 1HD1 LEU 607 0.475 -1.899 0.552 186 HD12 LEU 607 2HD1 LEU 607 1.105 -0.252 0.535 187 HD13 LEU 607 3HD1 LEU 607 1.596 -1.397 -0.714 188 HD21 LEU 607 3HD2 LEU 607 -1.268 0.588 0.570 189 HD22 LEU 607 1HD2 LEU 607 -1.844 -1.079 0.563 190 HD23 LEU 607 2HD2 LEU 607 -2.394 0.051 -0.676 191 H VAL 608 H VAL 608 -0.995 3.287 -2.483 192 HA VAL 608 HA VAL 608 -3.486 3.517 -1.211 193 HB VAL 608 HB VAL 608 -1.986 5.613 -2.799 194 HG11 VAL 608 1HG1 VAL 608 -3.240 7.254 -1.517 195 HG12 VAL 608 2HG1 VAL 608 -4.118 5.966 -0.695 196 HG13 VAL 608 3HG1 VAL 608 -4.337 6.215 -2.427 197 HG21 VAL 608 3HG2 VAL 608 -1.119 6.330 -0.620 198 HG22 VAL 608 1HG2 VAL 608 -0.634 4.681 -1.010 199 HG23 VAL 608 2HG2 VAL 608 -1.934 4.967 0.146 200 H GLN 609 H GLN 609 -2.544 4.005 -4.588 201 HA GLN 609 HA GLN 609 -5.019 4.753 -5.642 202 HB2 GLN 609 1HB GLN 609 -2.910 4.917 -6.887 203 HB3 GLN 609 2HB GLN 609 -2.807 3.164 -6.959 204 HG2 GLN 609 1HG GLN 609 -4.889 3.122 -8.271 205 HG3 GLN 609 2HG GLN 609 -4.910 4.885 -8.251 206 HE21 GLN 609 1HE2 GLN 609 -3.422 6.019 -9.483 207 HE22 GLN 609 2HE2 GLN 609 -2.485 5.272 -10.724 208 H ALA 610 H ALA 610 -3.664 1.569 -4.998 209 HA ALA 610 HA ALA 610 -5.647 0.023 -6.248 210 HB1 ALA 610 3HB ALA 610 -3.985 -0.670 -3.829 211 HB2 ALA 610 1HB ALA 610 -3.499 -0.893 -5.509 212 HB3 ALA 610 2HB ALA 610 -4.857 -1.810 -4.854 213 H ILE 611 H ILE 611 -5.433 1.426 -3.011 214 HA ILE 611 HA ILE 611 -7.867 0.160 -2.145 215 HB ILE 611 HB ILE 611 -6.385 2.487 -0.806 216 HG12 ILE 611 1HG1 ILE 611 -6.046 -0.388 0.082 217 HG13 ILE 611 2HG1 ILE 611 -5.015 0.316 -1.171 218 HG21 ILE 611 1HG2 ILE 611 -8.204 0.496 0.543 219 HG22 ILE 611 2HG2 ILE 611 -8.706 2.098 -0.003 220 HG23 ILE 611 3HG2 ILE 611 -7.463 1.937 1.232 221 HD11 ILE 611 3HD1 ILE 611 -4.297 2.029 0.400 222 HD12 ILE 611 1HD1 ILE 611 -3.997 0.413 1.039 223 HD13 ILE 611 2HD1 ILE 611 -5.364 1.357 1.631 224 H PHE 612 H PHE 612 -6.970 3.195 -3.624 225 HA PHE 612 HA PHE 612 -9.754 3.886 -3.985 226 HB2 PHE 612 1HB PHE 612 -8.927 4.796 -1.698 227 HB3 PHE 612 2HB PHE 612 -8.006 5.945 -2.659 228 HD1 PHE 612 HD2 PHE 612 -11.460 4.671 -2.169 229 HD2 PHE 612 HD1 PHE 612 -8.994 7.930 -3.314 230 HE1 PHE 612 HE2 PHE 612 -13.441 6.116 -2.270 231 HE2 PHE 612 HE1 PHE 612 -10.973 9.389 -3.420 232 HZ PHE 612 HZ PHE 612 -13.198 8.482 -2.897 233 HA PRO 613 HA PRO 613 -7.113 4.956 -7.511 234 HB2 PRO 613 1HB PRO 613 -8.995 4.644 -9.447 235 HB3 PRO 613 2HB PRO 613 -8.176 3.275 -8.684 236 HG2 PRO 613 1HG PRO 613 -10.921 4.351 -8.227 237 HG3 PRO 613 2HG PRO 613 -10.350 2.676 -8.181 238 HD2 PRO 613 1HD PRO 613 -10.853 4.263 -5.943 239 HD3 PRO 613 2HD PRO 613 -9.826 2.807 -5.973 240 H THR 614 H THR 614 -10.322 6.374 -6.940 241 HA THR 614 HA THR 614 -10.066 8.459 -8.841 242 HB THR 614 HB THR 614 -11.973 9.511 -7.539 243 HG1 THR 614 HG1 THR 614 -11.368 8.448 -5.520 244 HG21 THR 614 1HG2 THR 614 -13.582 7.769 -8.211 245 HG22 THR 614 2HG2 THR 614 -12.252 6.627 -8.415 246 HG23 THR 614 3HG2 THR 614 -12.364 8.046 -9.456 247 HA PRO 615 HA PRO 615 -7.409 11.020 -6.196 248 HB2 PRO 615 1HB PRO 615 -6.682 12.500 -8.552 249 HB3 PRO 615 2HB PRO 615 -5.707 11.317 -7.664 250 HG2 PRO 615 1HG PRO 615 -6.636 10.897 -10.224 251 HG3 PRO 615 2HG PRO 615 -6.249 9.586 -9.082 252 HD2 PRO 615 1HD PRO 615 -8.924 10.814 -9.744 253 HD3 PRO 615 2HD PRO 615 -8.501 9.093 -9.564 254 H ASP 616 H ASP 616 -9.640 11.795 -5.518 255 HA ASP 616 HA ASP 616 -10.732 14.090 -6.885 256 HB2 ASP 616 1HB ASP 616 -12.217 12.515 -5.656 257 HB3 ASP 616 2HB ASP 616 -11.407 12.940 -4.150 258 HA PRO 617 HA PRO 617 -7.926 17.066 -5.283 259 HB2 PRO 617 1HB PRO 617 -9.663 19.260 -5.388 260 HB3 PRO 617 2HB PRO 617 -8.689 18.652 -6.736 261 HG2 PRO 617 1HG PRO 617 -11.559 18.132 -6.071 262 HG3 PRO 617 2HG PRO 617 -10.804 18.426 -7.653 263 HD2 PRO 617 1HD PRO 617 -11.475 15.961 -6.919 264 HD3 PRO 617 2HD PRO 617 -9.956 16.254 -7.801 265 H ALA 618 H ALA 618 -11.130 16.727 -3.841 266 HA ALA 618 HA ALA 618 -10.291 18.245 -1.493 267 HB1 ALA 618 3HB ALA 618 -12.605 17.992 -0.748 268 HB2 ALA 618 1HB ALA 618 -12.945 16.973 -2.145 269 HB3 ALA 618 2HB ALA 618 -12.522 18.669 -2.373 270 H ALA 619 H ALA 619 -11.553 15.023 -2.294 271 HA ALA 619 HA ALA 619 -11.259 13.816 0.182 272 HB1 ALA 619 3HB ALA 619 -10.794 12.412 -2.438 273 HB2 ALA 619 1HB ALA 619 -12.392 12.861 -1.843 274 HB3 ALA 619 2HB ALA 619 -11.400 11.724 -0.934 275 H LEU 620 H LEU 620 -8.824 14.553 -2.199 276 HA LEU 620 HA LEU 620 -6.755 12.881 -1.279 277 HB2 LEU 620 1HB LEU 620 -7.060 14.837 -3.238 278 HB3 LEU 620 2HB LEU 620 -5.833 15.491 -2.174 279 HG LEU 620 HG LEU 620 -4.756 14.322 -3.974 280 HD11 LEU 620 1HD1 LEU 620 -3.427 12.679 -2.762 281 HD12 LEU 620 2HD1 LEU 620 -4.618 12.663 -1.461 282 HD13 LEU 620 3HD1 LEU 620 -3.693 14.128 -1.792 283 HD21 LEU 620 3HD2 LEU 620 -6.600 12.875 -4.628 284 HD22 LEU 620 1HD2 LEU 620 -6.378 11.914 -3.166 285 HD23 LEU 620 2HD2 LEU 620 -5.117 11.947 -4.398 286 H LYS 621 H LYS 621 -8.006 15.918 -0.134 287 HA LYS 621 HA LYS 621 -5.829 16.213 1.805 288 HB2 LYS 621 1HB LYS 621 -8.115 18.082 1.102 289 HB3 LYS 621 2HB LYS 621 -6.824 18.435 2.243 290 HG2 LYS 621 1HG LYS 621 -6.424 17.894 -0.690 291 HG3 LYS 621 2HG LYS 621 -6.498 19.493 0.047 292 HD2 LYS 621 1HD LYS 621 -4.474 17.363 0.738 293 HD3 LYS 621 2HD LYS 621 -4.184 18.712 -0.359 294 HE2 LYS 621 1HE LYS 621 -4.886 18.925 2.569 295 HE3 LYS 621 2HE LYS 621 -3.287 19.164 1.869 296 HZ1 LYS 621 3HZ LYS 621 -5.695 20.830 1.374 297 HZ2 LYS 621 1HZ LYS 621 -4.215 21.027 0.580 298 HZ3 LYS 621 2HZ LYS 621 -4.324 21.276 2.249 299 H ASP 622 H ASP 622 -8.067 14.202 1.879 300 HA ASP 622 HA ASP 622 -9.640 15.079 4.187 301 HB2 ASP 622 1HB ASP 622 -11.041 14.149 2.532 302 HB3 ASP 622 2HB ASP 622 -9.917 12.839 2.196 303 H ARG 623 H ARG 623 -9.303 14.333 6.146 304 HA ARG 623 HA ARG 623 -6.911 13.090 6.866 305 HB2 ARG 623 1HB ARG 623 -9.483 13.518 8.368 306 HB3 ARG 623 2HB ARG 623 -8.071 12.790 9.116 307 HG2 ARG 623 1HG ARG 623 -6.784 14.807 8.725 308 HG3 ARG 623 2HG ARG 623 -8.151 15.543 7.883 309 HD2 ARG 623 1HD ARG 623 -7.967 16.321 10.202 310 HD3 ARG 623 2HD ARG 623 -9.477 15.459 9.909 311 HE ARG 623 HE ARG 623 -7.373 13.788 10.934 312 HH11 ARG 623 1HH1 ARG 623 -9.952 15.991 11.798 313 HH12 ARG 623 2HH1 ARG 623 -10.174 15.314 13.377 314 HH21 ARG 623 1HH2 ARG 623 -7.658 12.892 13.008 315 HH22 ARG 623 2HH2 ARG 623 -8.863 13.543 14.070 316 H ARG 624 H ARG 624 -10.155 11.748 6.466 317 HA ARG 624 HA ARG 624 -9.692 9.173 7.389 318 HB2 ARG 624 1HB ARG 624 -11.914 9.788 6.997 319 HB3 ARG 624 2HB ARG 624 -11.564 10.390 5.387 320 HG2 ARG 624 1HG ARG 624 -11.276 8.096 4.597 321 HG3 ARG 624 2HG ARG 624 -11.639 7.498 6.220 322 HD2 ARG 624 1HD ARG 624 -13.575 7.492 4.607 323 HD3 ARG 624 2HD ARG 624 -13.857 8.340 6.128 324 HE ARG 624 HE ARG 624 -12.946 9.971 3.891 325 HH11 ARG 624 1HH1 ARG 624 -15.620 8.862 5.859 326 HH12 ARG 624 2HH1 ARG 624 -16.697 10.108 5.318 327 HH21 ARG 624 1HH2 ARG 624 -14.367 11.610 3.170 328 HH22 ARG 624 2HH2 ARG 624 -15.986 11.673 3.800 329 H MET 625 H MET 625 -9.304 10.491 4.081 330 HA MET 625 HA MET 625 -8.254 8.098 3.020 331 HB2 MET 625 1HB MET 625 -9.022 9.699 1.434 332 HB3 MET 625 2HB MET 625 -7.953 10.944 2.063 333 HG2 MET 625 1HG MET 625 -5.999 9.578 1.333 334 HG3 MET 625 2HG MET 625 -7.132 8.444 0.600 335 HE1 MET 625 3HE MET 625 -8.667 8.985 -1.426 336 HE2 MET 625 1HE MET 625 -8.705 10.529 -2.280 337 HE3 MET 625 2HE MET 625 -9.356 10.408 -0.646 338 H GLU 626 H GLU 626 -6.699 10.831 4.641 339 HA GLU 626 HA GLU 626 -4.048 10.178 4.038 340 HB2 GLU 626 1HB GLU 626 -5.150 11.524 6.508 341 HB3 GLU 626 2HB GLU 626 -3.448 11.468 6.072 342 HG2 GLU 626 1HG GLU 626 -4.093 12.613 3.917 343 HG3 GLU 626 2HG GLU 626 -5.679 12.874 4.639 344 H ASN 627 H ASN 627 -6.187 9.016 6.583 345 HA ASN 627 HA ASN 627 -4.273 7.542 8.038 346 HB2 ASN 627 1HB ASN 627 -7.257 7.328 7.774 347 HB3 ASN 627 2HB ASN 627 -6.352 6.140 8.707 348 HD21 ASN 627 1HD2 ASN 627 -5.348 9.473 8.521 349 HD22 ASN 627 2HD2 ASN 627 -5.746 9.893 10.149 350 H LEU 628 H LEU 628 -6.257 6.678 5.230 351 HA LEU 628 HA LEU 628 -5.406 3.929 5.251 352 HB2 LEU 628 1HB LEU 628 -6.710 3.595 3.372 353 HB3 LEU 628 2HB LEU 628 -7.538 4.956 4.095 354 HG LEU 628 HG LEU 628 -6.158 6.393 2.423 355 HD11 LEU 628 1HD1 LEU 628 -5.662 5.213 0.321 356 HD12 LEU 628 2HD1 LEU 628 -5.978 3.676 1.127 357 HD13 LEU 628 3HD1 LEU 628 -4.628 4.684 1.648 358 HD21 LEU 628 3HD2 LEU 628 -8.282 4.568 1.326 359 HD22 LEU 628 1HD2 LEU 628 -7.918 6.219 0.832 360 HD23 LEU 628 2HD2 LEU 628 -8.625 5.905 2.419 361 H VAL 629 H VAL 629 -4.288 6.902 3.753 362 HA VAL 629 HA VAL 629 -2.317 5.754 2.068 363 HB VAL 629 HB VAL 629 -2.352 8.500 3.348 364 HG11 VAL 629 1HG1 VAL 629 -0.122 7.906 2.578 365 HG12 VAL 629 2HG1 VAL 629 -0.825 9.140 1.532 366 HG13 VAL 629 3HG1 VAL 629 -0.768 7.461 1.001 367 HG21 VAL 629 3HG2 VAL 629 -3.251 9.262 1.199 368 HG22 VAL 629 1HG2 VAL 629 -4.324 8.099 1.976 369 HG23 VAL 629 2HG2 VAL 629 -3.302 7.593 0.631 370 H ALA 630 H ALA 630 -2.296 6.899 5.400 371 HA ALA 630 HA ALA 630 0.422 6.597 5.957 372 HB1 ALA 630 3HB ALA 630 -1.033 7.779 7.472 373 HB2 ALA 630 1HB ALA 630 -0.257 6.449 8.327 374 HB3 ALA 630 2HB ALA 630 -1.938 6.308 7.813 375 H TYR 631 H TYR 631 -2.207 4.263 5.950 376 HA TYR 631 HA TYR 631 -0.849 2.106 7.141 377 HB2 TYR 631 1HB TYR 631 -3.311 2.097 6.723 378 HB3 TYR 631 2HB TYR 631 -2.984 1.909 5.000 379 HD1 TYR 631 HD1 TYR 631 -2.046 0.328 8.248 380 HD2 TYR 631 HD2 TYR 631 -3.036 -0.252 4.147 381 HE1 TYR 631 HE1 TYR 631 -1.907 -2.104 8.565 382 HE2 TYR 631 HE2 TYR 631 -2.899 -2.686 4.458 383 HH TYR 631 HH TYR 631 -2.816 -4.151 7.501 384 H ALA 632 H ALA 632 -0.882 3.331 3.843 385 HA ALA 632 HA ALA 632 0.440 1.148 2.619 386 HB1 ALA 632 3HB ALA 632 -0.761 2.831 1.312 387 HB2 ALA 632 1HB ALA 632 0.917 2.700 0.788 388 HB3 ALA 632 2HB ALA 632 0.413 4.054 1.800 389 H LYS 633 H LYS 633 1.597 4.101 4.225 390 HA LYS 633 HA LYS 633 4.350 3.703 3.716 391 HB2 LYS 633 1HB LYS 633 2.690 5.446 5.389 392 HB3 LYS 633 2HB LYS 633 4.216 5.022 6.144 393 HG2 LYS 633 1HG LYS 633 4.443 7.103 4.948 394 HG3 LYS 633 2HG LYS 633 5.406 5.853 4.154 395 HD2 LYS 633 1HD LYS 633 4.322 7.038 2.423 396 HD3 LYS 633 2HD LYS 633 3.446 5.515 2.596 397 HE2 LYS 633 1HE LYS 633 1.912 7.388 2.324 398 HE3 LYS 633 2HE LYS 633 1.726 6.641 3.908 399 HZ1 LYS 633 3HZ LYS 633 3.061 8.418 4.857 400 HZ2 LYS 633 1HZ LYS 633 1.709 9.045 4.059 401 HZ3 LYS 633 2HZ LYS 633 3.235 9.135 3.337 402 H LYS 634 H LYS 634 2.195 2.743 6.346 403 HA LYS 634 HA LYS 634 4.030 1.512 8.031 404 HB2 LYS 634 1HB LYS 634 1.207 0.604 7.421 405 HB3 LYS 634 2HB LYS 634 2.150 0.129 8.824 406 HG2 LYS 634 1HG LYS 634 1.220 2.920 8.187 407 HG3 LYS 634 2HG LYS 634 0.510 1.835 9.381 408 HD2 LYS 634 1HD LYS 634 3.329 2.908 9.431 409 HD3 LYS 634 2HD LYS 634 1.990 3.491 10.418 410 HE2 LYS 634 1HE LYS 634 1.808 1.295 11.475 411 HE3 LYS 634 2HE LYS 634 3.133 0.700 10.477 412 HZ1 LYS 634 3HZ LYS 634 4.579 2.351 11.507 413 HZ2 LYS 634 1HZ LYS 634 3.924 1.296 12.653 414 HZ3 LYS 634 2HZ LYS 634 3.308 2.863 12.499 415 H VAL 635 H VAL 635 2.295 0.216 5.249 416 HA VAL 635 HA VAL 635 3.273 -2.368 5.230 417 HB VAL 635 HB VAL 635 2.421 -0.564 2.981 418 HG11 VAL 635 1HG1 VAL 635 2.523 -2.488 1.462 419 HG12 VAL 635 2HG1 VAL 635 3.310 -3.438 2.721 420 HG13 VAL 635 3HG1 VAL 635 4.127 -2.034 2.036 421 HG21 VAL 635 3HG2 VAL 635 0.540 -2.102 2.862 422 HG22 VAL 635 1HG2 VAL 635 0.711 -1.471 4.499 423 HG23 VAL 635 2HG2 VAL 635 1.258 -3.104 4.123 424 H GLU 636 H GLU 636 4.753 0.492 3.661 425 HA GLU 636 HA GLU 636 6.898 -0.867 2.503 426 HB2 GLU 636 1HB GLU 636 7.753 1.173 1.925 427 HB3 GLU 636 2HB GLU 636 6.125 1.676 2.343 428 HG2 GLU 636 1HG GLU 636 6.887 2.392 4.535 429 HG3 GLU 636 2HG GLU 636 8.515 1.831 4.167 430 H GLY 637 H GLY 637 6.557 0.497 5.748 431 HA2 GLY 637 1HA GLY 637 9.195 0.001 6.625 432 HA3 GLY 637 2HA GLY 637 7.796 0.185 7.669 433 H ASP 638 H ASP 638 6.245 -1.957 7.005 434 HA ASP 638 HA ASP 638 7.467 -4.057 8.432 435 HB2 ASP 638 1HB ASP 638 5.029 -3.707 8.348 436 HB3 ASP 638 2HB ASP 638 5.024 -4.154 6.646 437 H MET 639 H MET 639 6.857 -3.605 4.983 438 HA MET 639 HA MET 639 7.843 -6.126 4.142 439 HB2 MET 639 1HB MET 639 7.796 -3.549 2.534 440 HB3 MET 639 2HB MET 639 7.986 -5.174 1.883 441 HG2 MET 639 1HG MET 639 5.540 -4.120 3.301 442 HG3 MET 639 2HG MET 639 5.704 -4.301 1.549 443 HE1 MET 639 3HE MET 639 3.242 -5.501 2.950 444 HE2 MET 639 1HE MET 639 3.193 -7.139 2.297 445 HE3 MET 639 2HE MET 639 3.607 -5.782 1.247 446 H TYR 640 H TYR 640 9.361 -3.054 4.723 447 HA TYR 640 HA TYR 640 11.715 -3.236 3.395 448 HB2 TYR 640 1HB TYR 640 11.058 -1.269 4.710 449 HB3 TYR 640 2HB TYR 640 11.412 -2.138 6.198 450 HD1 TYR 640 HD2 TYR 640 13.387 -1.962 3.025 451 HD2 TYR 640 HD1 TYR 640 13.199 -0.953 7.167 452 HE1 TYR 640 HE2 TYR 640 15.710 -1.182 2.946 453 HE2 TYR 640 HE1 TYR 640 15.521 -0.178 7.083 454 HH TYR 640 HH TYR 640 17.551 -0.583 5.690 455 H GLU 641 H GLU 641 10.994 -5.006 6.397 456 HA GLU 641 HA GLU 641 13.722 -5.733 6.888 457 HB2 GLU 641 1HB GLU 641 11.155 -7.063 7.775 458 HB3 GLU 641 2HB GLU 641 12.763 -7.535 8.334 459 HG2 GLU 641 1HG GLU 641 11.434 -4.851 8.763 460 HG3 GLU 641 2HG GLU 641 11.684 -6.092 9.996 461 H SER 642 H SER 642 11.002 -7.455 5.429 462 HA SER 642 HA SER 642 12.473 -9.672 4.489 463 HB2 SER 642 1HB SER 642 9.901 -8.544 3.368 464 HB3 SER 642 2HB SER 642 10.493 -10.198 3.201 465 HG SER 642 HG SER 642 8.876 -9.481 4.991 466 H ALA 643 H ALA 643 11.585 -6.604 3.018 467 HA ALA 643 HA ALA 643 12.349 -6.949 0.403 468 HB1 ALA 643 3HB ALA 643 12.595 -4.405 1.971 469 HB2 ALA 643 1HB ALA 643 11.088 -5.051 1.322 470 HB3 ALA 643 2HB ALA 643 12.385 -4.571 0.228 471 H ASN 644 H ASN 644 14.526 -7.868 2.360 472 HA ASN 644 HA ASN 644 16.778 -6.146 1.833 473 HB2 ASN 644 1HB ASN 644 16.578 -7.797 3.826 474 HB3 ASN 644 2HB ASN 644 16.923 -9.075 2.662 475 HD21 ASN 644 1HD2 ASN 644 18.335 -5.835 2.629 476 HD22 ASN 644 2HD2 ASN 644 19.962 -6.334 2.952 477 H SER 645 H SER 645 14.971 -8.165 -0.058 478 HA SER 645 HA SER 645 17.151 -8.446 -1.999 479 HB2 SER 645 1HB SER 645 14.969 -10.498 -1.535 480 HB3 SER 645 2HB SER 645 16.314 -10.626 -2.668 481 HG SER 645 HG SER 645 16.232 -11.224 -0.036 482 H ARG 646 H ARG 646 16.571 -7.997 -4.121 483 HA ARG 646 HA ARG 646 14.520 -6.150 -4.531 484 HB2 ARG 646 1HB ARG 646 16.051 -7.838 -6.507 485 HB3 ARG 646 2HB ARG 646 14.936 -6.570 -6.991 486 HG2 ARG 646 1HG ARG 646 17.280 -6.064 -5.182 487 HG3 ARG 646 2HG ARG 646 17.385 -5.964 -6.939 488 HD2 ARG 646 1HD ARG 646 15.467 -4.377 -5.237 489 HD3 ARG 646 2HD ARG 646 17.005 -3.771 -5.842 490 HE ARG 646 HE ARG 646 15.226 -4.787 -7.879 491 HH11 ARG 646 1HH1 ARG 646 16.230 -1.969 -6.049 492 HH12 ARG 646 2HH1 ARG 646 15.633 -0.843 -7.226 493 HH21 ARG 646 1HH2 ARG 646 14.450 -3.305 -9.424 494 HH22 ARG 646 2HH2 ARG 646 14.614 -1.602 -9.139 495 H ASP 647 H ASP 647 14.622 -9.582 -5.444 496 HA ASP 647 HA ASP 647 12.151 -9.682 -6.761 497 HB2 ASP 647 1HB ASP 647 13.807 -11.469 -6.962 498 HB3 ASP 647 2HB ASP 647 13.609 -11.874 -5.259 499 H GLU 648 H GLU 648 12.980 -10.199 -3.381 500 HA GLU 648 HA GLU 648 10.485 -11.159 -2.515 501 HB2 GLU 648 1HB GLU 648 12.730 -11.169 -1.271 502 HB3 GLU 648 2HB GLU 648 12.337 -9.523 -0.787 503 HG2 GLU 648 1HG GLU 648 11.695 -10.985 0.975 504 HG3 GLU 648 2HG GLU 648 10.222 -10.394 0.207 505 H TYR 649 H TYR 649 11.826 -7.897 -2.620 506 HA TYR 649 HA TYR 649 9.855 -6.549 -1.209 507 HB2 TYR 649 1HB TYR 649 12.096 -5.654 -1.980 508 HB3 TYR 649 2HB TYR 649 11.363 -5.388 -3.557 509 HD1 TYR 649 HD2 TYR 649 9.445 -4.833 -0.463 510 HD2 TYR 649 HD1 TYR 649 11.805 -3.018 -3.504 511 HE1 TYR 649 HE2 TYR 649 8.680 -2.618 0.271 512 HE2 TYR 649 HE1 TYR 649 11.050 -0.799 -2.771 513 HH TYR 649 HH TYR 649 9.082 0.169 -1.555 514 H TYR 650 H TYR 650 10.013 -7.116 -4.743 515 HA TYR 650 HA TYR 650 7.693 -5.657 -5.356 516 HB2 TYR 650 1HB TYR 650 9.327 -7.736 -6.784 517 HB3 TYR 650 2HB TYR 650 7.895 -7.030 -7.491 518 HD1 TYR 650 HD1 TYR 650 7.825 -4.501 -7.794 519 HD2 TYR 650 HD2 TYR 650 11.392 -6.645 -6.923 520 HE1 TYR 650 HE1 TYR 650 9.157 -2.607 -8.619 521 HE2 TYR 650 HE2 TYR 650 12.735 -4.758 -7.741 522 HH TYR 650 HH TYR 650 11.453 -1.697 -8.307 523 H HIS 651 H HIS 651 8.347 -8.957 -4.470 524 HA HIS 651 HA HIS 651 5.951 -10.105 -5.487 525 HB2 HIS 651 1HB HIS 651 8.298 -10.991 -3.971 526 HB3 HIS 651 2HB HIS 651 6.819 -11.777 -3.467 527 HD1 HIS 651 HD1 HIS 651 9.497 -12.424 -5.588 528 HD2 HIS 651 HD2 HIS 651 5.370 -12.602 -6.096 529 HE1 HIS 651 HE1 HIS 651 9.114 -13.972 -7.529 530 HE2 HIS 651 HE2 HIS 651 6.616 -14.214 -7.686 531 H LEU 652 H LEU 652 6.993 -8.961 -2.320 532 HA LEU 652 HA LEU 652 4.755 -9.826 -0.857 533 HB2 LEU 652 1HB LEU 652 6.532 -7.449 -0.320 534 HB3 LEU 652 2HB LEU 652 5.484 -8.234 0.845 535 HG LEU 652 HG LEU 652 7.850 -9.554 -0.486 536 HD11 LEU 652 1HD1 LEU 652 8.950 -9.306 1.680 537 HD12 LEU 652 2HD1 LEU 652 7.570 -8.382 2.276 538 HD13 LEU 652 3HD1 LEU 652 8.563 -7.742 0.966 539 HD21 LEU 652 3HD2 LEU 652 7.545 -11.253 1.263 540 HD22 LEU 652 1HD2 LEU 652 6.148 -11.147 0.192 541 HD23 LEU 652 2HD2 LEU 652 6.084 -10.425 1.799 542 H LEU 653 H LEU 653 5.498 -6.660 -2.268 543 HA LEU 653 HA LEU 653 3.145 -5.376 -1.456 544 HB2 LEU 653 1HB LEU 653 5.083 -4.851 -3.689 545 HB3 LEU 653 2HB LEU 653 3.702 -3.808 -3.396 546 HG LEU 653 HG LEU 653 5.568 -4.392 -1.138 547 HD11 LEU 653 1HD1 LEU 653 7.088 -3.795 -2.896 548 HD12 LEU 653 2HD1 LEU 653 6.902 -2.412 -1.818 549 HD13 LEU 653 3HD1 LEU 653 6.068 -2.441 -3.371 550 HD21 LEU 653 3HD2 LEU 653 4.038 -1.920 -1.941 551 HD22 LEU 653 1HD2 LEU 653 4.895 -2.188 -0.424 552 HD23 LEU 653 2HD2 LEU 653 3.458 -3.140 -0.802 553 H ALA 654 H ALA 654 3.905 -7.151 -4.426 554 HA ALA 654 HA ALA 654 1.644 -6.554 -5.919 555 HB1 ALA 654 3HB ALA 654 3.160 -9.158 -5.848 556 HB2 ALA 654 1HB ALA 654 3.576 -7.743 -6.815 557 HB3 ALA 654 2HB ALA 654 2.081 -8.622 -7.136 558 H GLU 655 H GLU 655 2.118 -9.144 -3.562 559 HA GLU 655 HA GLU 655 -0.337 -10.452 -3.816 560 HB2 GLU 655 1HB GLU 655 1.162 -11.601 -2.430 561 HB3 GLU 655 2HB GLU 655 1.548 -10.152 -1.495 562 HG2 GLU 655 1HG GLU 655 -0.805 -10.261 -0.596 563 HG3 GLU 655 2HG GLU 655 -0.940 -11.837 -1.370 564 H LYS 656 H LYS 656 0.508 -7.658 -1.822 565 HA LYS 656 HA LYS 656 -1.877 -7.671 -0.312 566 HB2 LYS 656 1HB LYS 656 -0.301 -5.166 -0.825 567 HB3 LYS 656 2HB LYS 656 -1.190 -5.626 0.615 568 HG2 LYS 656 1HG LYS 656 1.491 -6.573 -0.320 569 HG3 LYS 656 2HG LYS 656 1.062 -5.799 1.201 570 HD2 LYS 656 1HD LYS 656 0.336 -8.597 0.337 571 HD3 LYS 656 2HD LYS 656 1.532 -8.152 1.551 572 HE2 LYS 656 1HE LYS 656 -0.309 -7.117 2.874 573 HE3 LYS 656 2HE LYS 656 -1.452 -7.763 1.697 574 HZ1 LYS 656 3HZ LYS 656 0.117 -9.159 3.725 575 HZ2 LYS 656 1HZ LYS 656 -0.161 -9.978 2.260 576 HZ3 LYS 656 2HZ LYS 656 -1.467 -9.440 3.202 577 H ILE 657 H ILE 657 -0.930 -6.028 -3.273 578 HA ILE 657 HA ILE 657 -3.123 -4.285 -3.463 579 HB ILE 657 HB ILE 657 -1.477 -5.525 -5.692 580 HG12 ILE 657 1HG1 ILE 657 -1.217 -2.851 -4.288 581 HG13 ILE 657 2HG1 ILE 657 -0.178 -4.243 -4.012 582 HG21 ILE 657 1HG2 ILE 657 -3.585 -4.638 -6.536 583 HG22 ILE 657 2HG2 ILE 657 -2.234 -3.626 -7.046 584 HG23 ILE 657 3HG2 ILE 657 -3.279 -3.102 -5.727 585 HD11 ILE 657 3HD1 ILE 657 0.589 -4.128 -6.322 586 HD12 ILE 657 1HD1 ILE 657 0.887 -2.618 -5.463 587 HD13 ILE 657 2HD1 ILE 657 -0.456 -2.736 -6.601 588 H TYR 658 H TYR 658 -2.626 -7.549 -4.832 589 HA TYR 658 HA TYR 658 -5.162 -7.609 -6.089 590 HB2 TYR 658 1HB TYR 658 -3.098 -9.134 -6.562 591 HB3 TYR 658 2HB TYR 658 -3.782 -10.153 -5.294 592 HD1 TYR 658 HD1 TYR 658 -5.121 -8.234 -8.218 593 HD2 TYR 658 HD2 TYR 658 -5.036 -11.959 -6.143 594 HE1 TYR 658 HE1 TYR 658 -6.681 -9.182 -9.852 595 HE2 TYR 658 HE2 TYR 658 -6.601 -12.904 -7.776 596 HH TYR 658 HH TYR 658 -8.286 -12.153 -9.370 597 H LYS 659 H LYS 659 -4.065 -8.662 -2.880 598 HA LYS 659 HA LYS 659 -6.375 -10.112 -2.206 599 HB2 LYS 659 1HB LYS 659 -4.372 -8.654 -0.490 600 HB3 LYS 659 2HB LYS 659 -5.721 -9.545 0.199 601 HG2 LYS 659 1HG LYS 659 -3.580 -10.713 -1.573 602 HG3 LYS 659 2HG LYS 659 -3.654 -10.855 0.185 603 HD2 LYS 659 1HD LYS 659 -5.747 -12.082 0.033 604 HD3 LYS 659 2HD LYS 659 -5.769 -11.865 -1.721 605 HE2 LYS 659 1HE LYS 659 -3.624 -13.120 -1.843 606 HE3 LYS 659 2HE LYS 659 -3.760 -13.435 -0.115 607 HZ1 LYS 659 3HZ LYS 659 -5.713 -14.286 -2.183 608 HZ2 LYS 659 1HZ LYS 659 -5.836 -14.597 -0.524 609 HZ3 LYS 659 2HZ LYS 659 -4.583 -15.286 -1.425 610 H ILE 660 H ILE 660 -5.588 -6.698 -1.627 611 HA ILE 660 HA ILE 660 -8.050 -6.060 -0.411 612 HB ILE 660 HB ILE 660 -5.745 -4.548 -1.418 613 HG12 ILE 660 1HG1 ILE 660 -7.633 -4.120 0.899 614 HG13 ILE 660 2HG1 ILE 660 -6.199 -5.137 0.944 615 HG21 ILE 660 1HG2 ILE 660 -8.470 -3.251 -1.385 616 HG22 ILE 660 2HG2 ILE 660 -7.357 -3.357 -2.749 617 HG23 ILE 660 3HG2 ILE 660 -6.948 -2.362 -1.354 618 HD11 ILE 660 3HD1 ILE 660 -6.279 -2.166 0.525 619 HD12 ILE 660 1HD1 ILE 660 -4.820 -3.151 0.470 620 HD13 ILE 660 2HD1 ILE 660 -5.737 -3.014 1.971 621 H GLN 661 H GLN 661 -7.036 -6.072 -3.809 622 HA GLN 661 HA GLN 661 -9.413 -4.888 -4.831 623 HB2 GLN 661 1HB GLN 661 -7.439 -6.761 -6.169 624 HB3 GLN 661 2HB GLN 661 -8.803 -6.032 -6.994 625 HG2 GLN 661 1HG GLN 661 -7.880 -3.790 -6.502 626 HG3 GLN 661 2HG GLN 661 -6.492 -4.556 -5.735 627 HE21 GLN 661 1HE2 GLN 661 -6.659 -2.806 -8.072 628 HE22 GLN 661 2HE2 GLN 661 -5.907 -3.677 -9.362 629 H LYS 662 H LYS 662 -8.462 -8.167 -4.062 630 HA LYS 662 HA LYS 662 -10.673 -9.484 -5.207 631 HB2 LYS 662 1HB LYS 662 -8.587 -10.634 -4.583 632 HB3 LYS 662 2HB LYS 662 -8.920 -10.319 -2.887 633 HG2 LYS 662 1HG LYS 662 -9.473 -12.599 -3.433 634 HG3 LYS 662 2HG LYS 662 -10.943 -11.704 -3.045 635 HD2 LYS 662 1HD LYS 662 -11.459 -11.469 -5.402 636 HD3 LYS 662 2HD LYS 662 -9.944 -12.261 -5.837 637 HE2 LYS 662 1HE LYS 662 -11.787 -13.823 -6.019 638 HE3 LYS 662 2HE LYS 662 -10.707 -14.306 -4.714 639 HZ1 LYS 662 3HZ LYS 662 -12.973 -14.524 -4.004 640 HZ2 LYS 662 1HZ LYS 662 -13.316 -12.921 -4.421 641 HZ3 LYS 662 2HZ LYS 662 -12.260 -13.256 -3.145 642 H GLU 663 H GLU 663 -10.032 -8.217 -1.960 643 HA GLU 663 HA GLU 663 -12.436 -9.112 -0.798 644 HB2 GLU 663 1HB GLU 663 -10.634 -6.817 -0.044 645 HB3 GLU 663 2HB GLU 663 -12.004 -7.346 0.925 646 HG2 GLU 663 1HG GLU 663 -10.881 -9.654 0.867 647 HG3 GLU 663 2HG GLU 663 -9.443 -8.773 0.350 648 H LEU 664 H LEU 664 -11.615 -6.030 -2.382 649 HA LEU 664 HA LEU 664 -14.049 -4.726 -1.931 650 HB2 LEU 664 1HB LEU 664 -12.258 -4.534 -4.358 651 HB3 LEU 664 2HB LEU 664 -13.527 -3.396 -3.946 652 HG LEU 664 HG LEU 664 -11.097 -3.915 -2.235 653 HD11 LEU 664 1HD1 LEU 664 -10.452 -2.908 -4.348 654 HD12 LEU 664 2HD1 LEU 664 -10.324 -1.736 -3.039 655 HD13 LEU 664 3HD1 LEU 664 -11.688 -1.668 -4.152 656 HD21 LEU 664 3HD2 LEU 664 -13.019 -3.127 -0.972 657 HD22 LEU 664 1HD2 LEU 664 -13.243 -1.799 -2.111 658 HD23 LEU 664 2HD2 LEU 664 -11.801 -1.859 -1.098 659 H GLU 665 H GLU 665 -13.051 -6.887 -4.549 660 HA GLU 665 HA GLU 665 -15.469 -6.827 -6.004 661 HB2 GLU 665 1HB GLU 665 -12.978 -7.848 -6.400 662 HB3 GLU 665 2HB GLU 665 -13.869 -9.315 -6.030 663 HG2 GLU 665 1HG GLU 665 -14.679 -7.359 -8.163 664 HG3 GLU 665 2HG GLU 665 -13.668 -8.771 -8.453 665 H GLU 666 H GLU 666 -14.217 -8.938 -3.473 666 HA GLU 666 HA GLU 666 -16.260 -10.823 -3.343 667 HB2 GLU 666 1HB GLU 666 -14.051 -10.931 -2.172 668 HB3 GLU 666 2HB GLU 666 -14.648 -9.741 -1.026 669 HG2 GLU 666 1HG GLU 666 -14.837 -11.891 -0.031 670 HG3 GLU 666 2HG GLU 666 -16.463 -11.326 -0.420 671 H LYS 667 H LYS 667 -15.932 -7.719 -1.666 672 HA LYS 667 HA LYS 667 -18.274 -7.954 -0.120 673 HB2 LYS 667 1HB LYS 667 -16.832 -5.466 -1.049 674 HB3 LYS 667 2HB LYS 667 -18.093 -5.498 0.177 675 HG2 LYS 667 1HG LYS 667 -16.334 -7.380 1.097 676 HG3 LYS 667 2HG LYS 667 -15.255 -6.181 0.380 677 HD2 LYS 667 1HD LYS 667 -17.397 -5.658 2.446 678 HD3 LYS 667 2HD LYS 667 -15.665 -5.719 2.744 679 HE2 LYS 667 1HE LYS 667 -15.358 -3.779 1.260 680 HE3 LYS 667 2HE LYS 667 -17.105 -3.708 1.008 681 HZ1 LYS 667 3HZ LYS 667 -15.732 -3.394 3.623 682 HZ2 LYS 667 1HZ LYS 667 -17.402 -3.322 3.368 683 HZ3 LYS 667 2HZ LYS 667 -16.397 -2.141 2.701 684 H ARG 668 H ARG 668 -17.739 -6.715 -3.382 685 HA ARG 668 HA ARG 668 -20.206 -5.465 -3.688 686 HB2 ARG 668 1HB ARG 668 -18.365 -6.619 -5.761 687 HB3 ARG 668 2HB ARG 668 -19.757 -5.614 -6.134 688 HG2 ARG 668 1HG ARG 668 -18.778 -3.740 -5.001 689 HG3 ARG 668 2HG ARG 668 -17.435 -4.738 -4.435 690 HD2 ARG 668 1HD ARG 668 -16.779 -5.135 -6.770 691 HD3 ARG 668 2HD ARG 668 -18.085 -4.080 -7.303 692 HE ARG 668 HE ARG 668 -16.731 -2.454 -5.677 693 HH11 ARG 668 1HH1 ARG 668 -15.638 -4.608 -8.209 694 HH12 ARG 668 2HH1 ARG 668 -14.251 -3.644 -8.605 695 HH21 ARG 668 1HH2 ARG 668 -14.910 -1.170 -6.204 696 HH22 ARG 668 2HH2 ARG 668 -13.836 -1.689 -7.463 697 H ARG 669 H ARG 669 -19.496 -8.657 -3.464 698 HA ARG 669 HA ARG 669 -21.356 -10.032 -4.905 699 HB2 ARG 669 1HB ARG 669 -19.869 -11.205 -3.431 700 HB3 ARG 669 2HB ARG 669 -20.551 -10.410 -2.023 701 HG2 ARG 669 1HG ARG 669 -22.377 -12.052 -3.680 702 HG3 ARG 669 2HG ARG 669 -21.177 -12.893 -2.697 703 HD2 ARG 669 1HD ARG 669 -21.998 -11.876 -0.698 704 HD3 ARG 669 2HD ARG 669 -23.043 -10.791 -1.614 705 HE ARG 669 HE ARG 669 -23.815 -13.356 -2.281 706 HH11 ARG 669 1HH1 ARG 669 -23.632 -11.425 0.633 707 HH12 ARG 669 2HH1 ARG 669 -24.992 -12.198 1.384 708 HH21 ARG 669 1HH2 ARG 669 -25.619 -14.359 -1.312 709 HH22 ARG 669 2HH2 ARG 669 -26.121 -13.867 0.276 710 H SER 670 H SER 670 -21.938 -8.010 -2.087 711 HA SER 670 HA SER 670 -24.798 -8.406 -2.559 712 HB2 SER 670 1HB SER 670 -23.432 -7.259 -0.100 713 HB3 SER 670 2HB SER 670 -25.175 -7.294 -0.346 714 HG SER 670 HG SER 670 -25.056 -9.551 -0.461 715 H ARG 671 H ARG 671 -22.420 -5.719 -2.185 716 HA ARG 671 HA ARG 671 -22.098 -4.030 -3.725 717 HB2 ARG 671 1HB ARG 671 -23.245 -5.421 -5.448 718 HB3 ARG 671 2HB ARG 671 -24.790 -4.819 -4.873 719 HG2 ARG 671 1HG ARG 671 -23.555 -2.487 -5.391 720 HG3 ARG 671 2HG ARG 671 -22.765 -3.528 -6.578 721 HD2 ARG 671 1HD ARG 671 -24.690 -2.572 -7.619 722 HD3 ARG 671 2HD ARG 671 -25.035 -4.274 -7.311 723 HE ARG 671 HE ARG 671 -25.999 -2.116 -5.530 724 HH11 ARG 671 1HH1 ARG 671 -26.590 -5.016 -7.426 725 HH12 ARG 671 2HH1 ARG 671 -28.226 -5.188 -6.874 726 HH21 ARG 671 1HH2 ARG 671 -28.156 -2.360 -4.814 727 HH22 ARG 671 2HH2 ARG 671 -29.115 -3.684 -5.400 728 H LEU 672 H LEU 672 -22.938 -1.808 -3.934 729 HA LEU 672 HA LEU 672 -24.533 -0.999 -1.704 730 HB2 LEU 672 1HB LEU 672 -23.559 0.547 -4.118 731 HB3 LEU 672 2HB LEU 672 -24.347 1.279 -2.732 732 HG LEU 672 HG LEU 672 -21.710 -0.201 -2.656 733 HD11 LEU 672 1HD1 LEU 672 -20.723 2.000 -2.303 734 HD12 LEU 672 2HD1 LEU 672 -22.306 2.748 -2.512 735 HD13 LEU 672 3HD1 LEU 672 -21.541 1.908 -3.862 736 HD21 LEU 672 3HD2 LEU 672 -22.917 -0.376 -0.554 737 HD22 LEU 672 1HD2 LEU 672 -23.169 1.369 -0.534 738 HD23 LEU 672 2HD2 LEU 672 -21.540 0.711 -0.385 739 H1 ASP 840 1H ASP 840 0.078 -9.170 8.671 740 HA ASP 840 HA ASP 840 1.794 -10.343 10.754 741 HB2 ASP 840 1HB ASP 840 -0.457 -8.337 11.013 742 HB3 ASP 840 2HB ASP 840 0.030 -9.346 12.378 743 H ALA 841 H ALA 841 1.384 -12.458 10.538 744 HA ALA 841 HA ALA 841 0.312 -14.440 10.400 745 HB1 ALA 841 3HB ALA 841 -0.022 -13.700 12.735 746 HB2 ALA 841 1HB ALA 841 -1.247 -14.832 12.159 747 HB3 ALA 841 2HB ALA 841 -1.620 -13.112 12.277 748 H GLY 842 H GLY 842 -0.262 -14.090 8.152 749 HA2 GLY 842 1HA GLY 842 -2.273 -14.960 7.007 750 HA3 GLY 842 2HA GLY 842 -3.144 -13.639 7.772 751 H ASN 843 H ASN 843 -2.555 -14.414 4.906 752 HA ASN 843 HA ASN 843 -0.850 -12.281 3.953 753 HB2 ASN 843 1HB ASN 843 -2.499 -14.328 2.456 754 HB3 ASN 843 2HB ASN 843 -1.380 -13.196 1.704 755 HD21 ASN 843 1HD2 ASN 843 0.543 -13.432 3.923 756 HD22 ASN 843 2HD2 ASN 843 1.315 -14.959 3.709 757 H ILE 844 H ILE 844 -4.062 -12.415 4.854 758 HA ILE 844 HA ILE 844 -4.943 -10.536 2.782 759 HB ILE 844 HB ILE 844 -6.718 -11.661 4.962 760 HG12 ILE 844 1HG1 ILE 844 -5.980 -12.855 2.273 761 HG13 ILE 844 2HG1 ILE 844 -5.787 -13.595 3.857 762 HG21 ILE 844 1HG2 ILE 844 -7.573 -9.735 3.740 763 HG22 ILE 844 2HG2 ILE 844 -8.490 -11.189 3.340 764 HG23 ILE 844 3HG2 ILE 844 -7.288 -10.565 2.211 765 HD11 ILE 844 3HD1 ILE 844 -8.240 -13.683 4.073 766 HD12 ILE 844 1HD1 ILE 844 -7.630 -14.597 2.692 767 HD13 ILE 844 2HD1 ILE 844 -8.374 -13.019 2.442 768 H LEU 845 H LEU 845 -5.944 -8.535 3.335 769 HA LEU 845 HA LEU 845 -4.476 -7.273 5.515 770 HB2 LEU 845 1HB LEU 845 -5.934 -6.174 3.111 771 HB3 LEU 845 2HB LEU 845 -5.104 -5.180 4.293 772 HG LEU 845 HG LEU 845 -3.405 -7.293 3.211 773 HD11 LEU 845 1HD1 LEU 845 -3.133 -6.393 1.007 774 HD12 LEU 845 2HD1 LEU 845 -4.331 -5.140 1.319 775 HD13 LEU 845 3HD1 LEU 845 -4.826 -6.832 1.233 776 HD21 LEU 845 3HD2 LEU 845 -2.612 -5.409 4.567 777 HD22 LEU 845 1HD2 LEU 845 -3.133 -4.295 3.303 778 HD23 LEU 845 2HD2 LEU 845 -1.842 -5.452 2.981 779 HA PRO 846 HA PRO 846 -7.728 -6.501 8.317 780 HB2 PRO 846 1HB PRO 846 -7.637 -3.730 8.584 781 HB3 PRO 846 2HB PRO 846 -6.651 -4.888 9.480 782 HG2 PRO 846 1HG PRO 846 -5.973 -3.309 7.037 783 HG3 PRO 846 2HG PRO 846 -4.959 -3.702 8.439 784 HD2 PRO 846 1HD PRO 846 -4.661 -5.013 6.145 785 HD3 PRO 846 2HD PRO 846 -4.556 -5.871 7.693 786 H SER 847 H SER 847 -9.764 -6.689 7.898 787 HA SER 847 HA SER 847 -11.202 -5.710 5.741 788 HB2 SER 847 1HB SER 847 -13.222 -6.222 7.226 789 HB3 SER 847 2HB SER 847 -12.105 -7.550 6.914 790 HG SER 847 HG SER 847 -11.415 -7.486 8.947 791 H ASP 848 H ASP 848 -10.615 -4.307 8.893 792 HA ASP 848 HA ASP 848 -12.618 -2.409 9.055 793 HB2 ASP 848 1HB ASP 848 -11.086 -2.836 10.912 794 HB3 ASP 848 2HB ASP 848 -9.754 -2.123 10.004 795 H ILE 849 H ILE 849 -9.405 -1.978 7.544 796 HA ILE 849 HA ILE 849 -9.845 0.724 6.841 797 HB ILE 849 HB ILE 849 -7.967 -1.158 5.393 798 HG12 ILE 849 1HG1 ILE 849 -7.544 -1.244 7.818 799 HG13 ILE 849 2HG1 ILE 849 -6.244 -0.401 6.985 800 HG21 ILE 849 1HG2 ILE 849 -6.719 0.926 4.939 801 HG22 ILE 849 2HG2 ILE 849 -7.981 1.849 5.752 802 HG23 ILE 849 3HG2 ILE 849 -8.348 0.975 4.265 803 HD11 ILE 849 3HD1 ILE 849 -6.830 0.696 9.075 804 HD12 ILE 849 1HD1 ILE 849 -8.488 0.905 8.516 805 HD13 ILE 849 2HD1 ILE 849 -7.169 1.743 7.698 806 H MET 850 H MET 850 -10.431 -2.309 5.144 807 HA MET 850 HA MET 850 -11.144 -1.289 2.653 808 HB2 MET 850 1HB MET 850 -12.134 -3.716 4.139 809 HB3 MET 850 2HB MET 850 -12.608 -3.361 2.486 810 HG2 MET 850 1HG MET 850 -9.725 -3.597 3.272 811 HG3 MET 850 2HG MET 850 -10.696 -5.013 2.888 812 HE1 MET 850 3HE MET 850 -10.446 -1.321 0.895 813 HE2 MET 850 1HE MET 850 -9.023 -1.880 0.028 814 HE3 MET 850 2HE MET 850 -9.018 -1.839 1.791 815 H ASP 851 H ASP 851 -13.194 -1.875 5.499 816 HA ASP 851 HA ASP 851 -15.533 -0.753 4.375 817 HB2 ASP 851 1HB ASP 851 -14.638 -1.153 7.245 818 HB3 ASP 851 2HB ASP 851 -16.184 -0.400 6.845 819 H PHE 852 H PHE 852 -12.842 0.684 6.137 820 HA PHE 852 HA PHE 852 -13.938 3.219 6.590 821 HB2 PHE 852 1HB PHE 852 -11.827 2.169 7.575 822 HB3 PHE 852 2HB PHE 852 -11.014 2.652 6.093 823 HD1 PHE 852 HD1 PHE 852 -13.395 4.307 8.446 824 HD2 PHE 852 HD2 PHE 852 -9.666 4.471 6.408 825 HE1 PHE 852 HE1 PHE 852 -12.952 6.506 9.448 826 HE2 PHE 852 HE2 PHE 852 -9.218 6.674 7.402 827 HZ PHE 852 HZ PHE 852 -10.860 7.693 8.926 828 H VAL 853 H VAL 853 -11.917 2.044 3.885 829 HA VAL 853 HA VAL 853 -11.950 4.496 2.467 830 HB VAL 853 HB VAL 853 -10.253 2.829 1.980 831 HG11 VAL 853 1HG1 VAL 853 -10.763 0.821 0.668 832 HG12 VAL 853 2HG1 VAL 853 -12.485 1.163 0.834 833 HG13 VAL 853 3HG1 VAL 853 -11.520 0.789 2.259 834 HG21 VAL 853 3HG2 VAL 853 -10.392 2.888 -0.500 835 HG22 VAL 853 1HG2 VAL 853 -10.705 4.446 0.268 836 HG23 VAL 853 2HG2 VAL 853 -12.044 3.480 -0.349 837 H LEU 854 H LEU 854 -14.061 1.660 2.335 838 HA LEU 854 HA LEU 854 -15.686 2.419 0.207 839 HB2 LEU 854 1HB LEU 854 -16.012 0.675 2.564 840 HB3 LEU 854 2HB LEU 854 -17.502 1.272 1.867 841 HG LEU 854 HG LEU 854 -16.714 -1.004 1.073 842 HD11 LEU 854 1HD1 LEU 854 -18.402 0.288 -0.144 843 HD12 LEU 854 2HD1 LEU 854 -17.372 -0.636 -1.234 844 HD13 LEU 854 3HD1 LEU 854 -17.126 1.098 -1.055 845 HD21 LEU 854 3HD2 LEU 854 -14.342 -0.502 0.859 846 HD22 LEU 854 1HD2 LEU 854 -14.692 0.664 -0.417 847 HD23 LEU 854 2HD2 LEU 854 -15.012 -1.050 -0.677 848 H LYS 855 H LYS 855 -15.619 3.580 3.523 849 HA LYS 855 HA LYS 855 -18.114 5.033 3.184 850 HB2 LYS 855 1HB LYS 855 -17.412 3.935 5.359 851 HB3 LYS 855 2HB LYS 855 -16.204 5.199 5.520 852 HG2 LYS 855 1HG LYS 855 -18.218 5.673 6.854 853 HG3 LYS 855 2HG LYS 855 -17.939 6.895 5.610 854 HD2 LYS 855 1HD LYS 855 -20.300 6.283 5.753 855 HD3 LYS 855 2HD LYS 855 -19.623 5.844 4.186 856 HE2 LYS 855 1HE LYS 855 -19.370 3.529 4.958 857 HE3 LYS 855 2HE LYS 855 -20.061 3.979 6.515 858 HZ1 LYS 855 3HZ LYS 855 -22.113 4.561 5.405 859 HZ2 LYS 855 1HZ LYS 855 -21.700 2.958 5.060 860 HZ3 LYS 855 2HZ LYS 855 -21.453 4.164 3.902 861 H ASN 856 H ASN 856 -15.351 5.589 1.798 862 HA ASN 856 HA ASN 856 -15.094 8.435 2.461 863 HB2 ASN 856 1HB ASN 856 -13.064 6.963 2.027 864 HB3 ASN 856 2HB ASN 856 -13.580 6.881 0.346 865 HD21 ASN 856 1HD2 ASN 856 -12.034 8.745 2.755 866 HD22 ASN 856 2HD2 ASN 856 -11.631 10.111 1.777 867 H THR 857 H THR 857 -15.981 10.018 1.224 868 HA THR 857 HA THR 857 -17.431 9.153 -1.175 869 HB THR 857 HB THR 857 -18.029 11.620 0.454 870 HG1 THR 857 HG1 THR 857 -19.671 9.365 0.646 871 HG21 THR 857 1HG2 THR 857 -19.661 10.037 -1.536 872 HG22 THR 857 2HG2 THR 857 -18.914 11.609 -1.822 873 HG23 THR 857 3HG2 THR 857 -20.219 11.454 -0.646 874 HA PRO 858 HA PRO 858 -14.446 12.020 -3.053 875 HB2 PRO 858 1HB PRO 858 -14.385 10.811 -5.469 876 HB3 PRO 858 2HB PRO 858 -13.438 10.235 -4.095 877 HG2 PRO 858 1HG PRO 858 -15.963 9.157 -5.241 878 HG3 PRO 858 2HG PRO 858 -14.602 8.293 -4.509 879 HD2 PRO 858 1HD PRO 858 -17.012 8.868 -3.252 880 HD3 PRO 858 2HD PRO 858 -15.500 8.446 -2.429 Start of MODEL 13 1 H1 GLY 586 1H GLY 586 32.130 0.653 0.518 2 HA2 GLY 586 1HA GLY 586 31.867 3.575 0.678 3 HA3 GLY 586 2HA GLY 586 30.453 2.600 0.310 4 H VAL 587 H VAL 587 29.210 2.755 2.077 5 HA VAL 587 HA VAL 587 30.480 2.644 4.698 6 HB VAL 587 HB VAL 587 28.256 3.304 5.579 7 HG11 VAL 587 1HG1 VAL 587 29.331 5.072 3.386 8 HG12 VAL 587 2HG1 VAL 587 29.929 4.992 5.043 9 HG13 VAL 587 3HG1 VAL 587 28.303 5.593 4.721 10 HG21 VAL 587 3HG2 VAL 587 26.507 4.013 4.043 11 HG22 VAL 587 1HG2 VAL 587 26.878 2.305 3.815 12 HG23 VAL 587 2HG2 VAL 587 27.486 3.500 2.669 13 H ARG 588 H ARG 588 29.857 1.183 6.297 14 HA ARG 588 HA ARG 588 29.355 -1.438 5.482 15 HB2 ARG 588 1HB ARG 588 29.181 -1.980 7.908 16 HB3 ARG 588 2HB ARG 588 30.611 -1.048 7.502 17 HG2 ARG 588 1HG ARG 588 29.816 -0.184 9.539 18 HG3 ARG 588 2HG ARG 588 29.365 0.997 8.316 19 HD2 ARG 588 1HD ARG 588 27.569 0.619 9.934 20 HD3 ARG 588 2HD ARG 588 27.090 0.156 8.302 21 HE ARG 588 HE ARG 588 28.106 -2.086 9.700 22 HH11 ARG 588 1HH1 ARG 588 25.299 0.012 9.566 23 HH12 ARG 588 2HH1 ARG 588 24.199 -1.217 10.104 24 HH21 ARG 588 1HH2 ARG 588 26.656 -3.699 10.404 25 HH22 ARG 588 2HH2 ARG 588 24.971 -3.325 10.583 26 H LYS 589 H LYS 589 27.054 1.033 5.954 27 HA LYS 589 HA LYS 589 24.923 -0.896 6.437 28 HB2 LYS 589 1HB LYS 589 23.532 1.027 6.866 29 HB3 LYS 589 2HB LYS 589 25.080 1.343 7.647 30 HG2 LYS 589 1HG LYS 589 25.732 2.820 5.862 31 HG3 LYS 589 2HG LYS 589 24.229 2.486 5.000 32 HD2 LYS 589 1HD LYS 589 22.971 3.390 6.930 33 HD3 LYS 589 2HD LYS 589 24.504 3.808 7.696 34 HE2 LYS 589 1HE LYS 589 23.577 5.755 6.612 35 HE3 LYS 589 2HE LYS 589 25.044 5.249 5.775 36 HZ1 LYS 589 3HZ LYS 589 22.294 4.567 4.892 37 HZ2 LYS 589 1HZ LYS 589 23.729 4.253 4.056 38 HZ3 LYS 589 2HZ LYS 589 23.207 5.846 4.271 39 H GLY 590 H GLY 590 25.550 -1.879 4.334 40 HA2 GLY 590 1HA GLY 590 24.391 -0.421 2.085 41 HA3 GLY 590 2HA GLY 590 25.854 -1.375 1.919 42 H TRP 591 H TRP 591 22.788 -2.046 3.553 43 HA TRP 591 HA TRP 591 22.649 -4.622 2.209 44 HB2 TRP 591 1HB TRP 591 20.267 -4.026 3.699 45 HB3 TRP 591 2HB TRP 591 21.462 -5.277 3.993 46 HD1 TRP 591 HD1 TRP 591 22.995 -4.985 6.075 47 HE1 TRP 591 HE1 TRP 591 23.145 -3.225 7.952 48 HE3 TRP 591 HE3 TRP 591 20.036 -1.350 4.033 49 HZ2 TRP 591 HZ2 TRP 591 22.185 -0.617 8.468 50 HZ3 TRP 591 HZ3 TRP 591 19.707 0.743 5.278 51 HH2 TRP 591 HH2 TRP 591 20.758 1.100 7.448 52 H HIS 592 H HIS 592 20.702 -1.684 2.525 53 HA HIS 592 HA HIS 592 18.902 -2.639 0.429 54 HB2 HIS 592 1HB HIS 592 18.624 -0.555 2.578 55 HB3 HIS 592 2HB HIS 592 17.528 -0.597 1.202 56 HD1 HIS 592 HD1 HIS 592 17.960 -1.970 4.528 57 HD2 HIS 592 HD2 HIS 592 16.112 -3.177 1.003 58 HE1 HIS 592 HE1 HIS 592 16.372 -3.790 5.189 59 HE2 HIS 592 HE2 HIS 592 15.085 -4.306 3.095 60 H GLU 593 H GLU 593 21.683 -1.118 0.354 61 HA GLU 593 HA GLU 593 21.398 1.468 -0.519 62 HB2 GLU 593 1HB GLU 593 23.609 1.151 -1.601 63 HB3 GLU 593 2HB GLU 593 23.540 0.542 0.049 64 HG2 GLU 593 1HG GLU 593 23.452 -1.704 -0.679 65 HG3 GLU 593 2HG GLU 593 23.161 -1.223 -2.349 66 H HIS 594 H HIS 594 21.220 -1.491 -2.470 67 HA HIS 594 HA HIS 594 21.082 -0.067 -4.941 68 HB2 HIS 594 1HB HIS 594 20.514 -2.334 -5.908 69 HB3 HIS 594 2HB HIS 594 22.045 -2.237 -5.034 70 HD1 HIS 594 HD1 HIS 594 22.430 -4.033 -3.374 71 HD2 HIS 594 HD2 HIS 594 18.381 -3.517 -4.191 72 HE1 HIS 594 HE1 HIS 594 21.241 -5.846 -2.097 73 HE2 HIS 594 HE2 HIS 594 18.809 -5.587 -2.699 74 H VAL 595 H VAL 595 18.999 0.471 -2.854 75 HA VAL 595 HA VAL 595 16.757 0.371 -4.754 76 HB VAL 595 HB VAL 595 16.587 0.196 -1.746 77 HG11 VAL 595 1HG1 VAL 595 14.114 -0.022 -2.148 78 HG12 VAL 595 2HG1 VAL 595 14.407 0.521 -3.804 79 HG13 VAL 595 3HG1 VAL 595 14.787 1.579 -2.446 80 HG21 VAL 595 3HG2 VAL 595 15.514 -1.962 -2.107 81 HG22 VAL 595 1HG2 VAL 595 17.144 -1.934 -2.784 82 HG23 VAL 595 2HG2 VAL 595 15.745 -1.788 -3.849 83 H THR 596 H THR 596 16.000 2.389 -5.267 84 HA THR 596 HA THR 596 17.025 4.637 -3.746 85 HB THR 596 HB THR 596 17.232 4.910 -6.093 86 HG1 THR 596 HG1 THR 596 16.636 6.901 -5.794 87 HG21 THR 596 1HG2 THR 596 15.632 3.270 -6.855 88 HG22 THR 596 2HG2 THR 596 15.306 4.816 -7.631 89 HG23 THR 596 3HG2 THR 596 14.294 4.268 -6.296 90 H GLN 597 H GLN 597 15.621 6.395 -3.088 91 HA GLN 597 HA GLN 597 13.467 5.539 -1.488 92 HB2 GLN 597 1HB GLN 597 14.842 7.578 -1.072 93 HB3 GLN 597 2HB GLN 597 14.076 8.342 -2.455 94 HG2 GLN 597 1HG GLN 597 12.939 9.190 -0.613 95 HG3 GLN 597 2HG GLN 597 11.873 7.939 -1.246 96 HE21 GLN 597 1HE2 GLN 597 12.026 9.088 1.419 97 HE22 GLN 597 2HE2 GLN 597 12.302 7.777 2.499 98 H ASP 598 H ASP 598 13.697 7.014 -4.639 99 HA ASP 598 HA ASP 598 11.020 7.639 -5.116 100 HB2 ASP 598 1HB ASP 598 12.871 8.384 -6.564 101 HB3 ASP 598 2HB ASP 598 13.083 6.737 -7.134 102 H LEU 599 H LEU 599 12.772 4.604 -5.629 103 HA LEU 599 HA LEU 599 10.795 3.146 -6.897 104 HB2 LEU 599 1HB LEU 599 13.216 2.480 -6.428 105 HB3 LEU 599 2HB LEU 599 12.678 1.995 -4.829 106 HG LEU 599 HG LEU 599 11.064 0.425 -5.916 107 HD11 LEU 599 1HD1 LEU 599 11.467 -0.125 -8.284 108 HD12 LEU 599 2HD1 LEU 599 12.555 1.259 -8.389 109 HD13 LEU 599 3HD1 LEU 599 10.845 1.508 -8.048 110 HD21 LEU 599 3HD2 LEU 599 13.164 -0.412 -5.069 111 HD22 LEU 599 1HD2 LEU 599 13.987 0.066 -6.553 112 HD23 LEU 599 2HD2 LEU 599 12.779 -1.216 -6.590 113 H ARG 600 H ARG 600 11.442 3.444 -3.416 114 HA ARG 600 HA ARG 600 9.313 1.759 -2.631 115 HB2 ARG 600 1HB ARG 600 10.778 3.884 -1.061 116 HB3 ARG 600 2HB ARG 600 9.656 2.720 -0.367 117 HG2 ARG 600 1HG ARG 600 11.186 0.930 -1.377 118 HG3 ARG 600 2HG ARG 600 12.360 2.235 -1.557 119 HD2 ARG 600 1HD ARG 600 11.053 1.349 1.012 120 HD3 ARG 600 2HD ARG 600 12.716 1.024 0.526 121 HE ARG 600 HE ARG 600 12.847 3.610 0.491 122 HH11 ARG 600 1HH1 ARG 600 11.017 1.679 2.775 123 HH12 ARG 600 2HH1 ARG 600 11.147 2.843 4.052 124 HH21 ARG 600 1HH2 ARG 600 12.985 5.150 2.163 125 HH22 ARG 600 2HH2 ARG 600 12.251 4.816 3.704 126 H SER 601 H SER 601 9.570 5.288 -2.920 127 HA SER 601 HA SER 601 7.075 5.830 -1.727 128 HB2 SER 601 1HB SER 601 7.323 8.081 -2.824 129 HB3 SER 601 2HB SER 601 8.695 7.589 -1.836 130 HG SER 601 HG SER 601 8.555 8.096 -4.517 131 H HIS 602 H HIS 602 8.047 5.320 -5.085 132 HA HIS 602 HA HIS 602 5.616 5.895 -6.345 133 HB2 HIS 602 1HB HIS 602 7.852 5.323 -7.454 134 HB3 HIS 602 2HB HIS 602 7.433 3.631 -7.196 135 HD1 HIS 602 HD1 HIS 602 7.104 6.281 -9.611 136 HD2 HIS 602 HD2 HIS 602 4.870 2.942 -8.542 137 HE1 HIS 602 HE1 HIS 602 5.574 5.842 -11.554 138 HE2 HIS 602 HE2 HIS 602 4.142 3.900 -10.832 139 H LEU 603 H LEU 603 6.782 2.931 -4.848 140 HA LEU 603 HA LEU 603 4.619 1.275 -5.558 141 HB2 LEU 603 1HB LEU 603 6.504 1.031 -3.216 142 HB3 LEU 603 2HB LEU 603 5.453 -0.233 -3.820 143 HG LEU 603 HG LEU 603 7.638 1.040 -5.466 144 HD11 LEU 603 1HD1 LEU 603 7.687 -1.580 -3.982 145 HD12 LEU 603 2HD1 LEU 603 8.588 -0.129 -3.541 146 HD13 LEU 603 3HD1 LEU 603 8.941 -0.961 -5.056 147 HD21 LEU 603 3HD2 LEU 603 5.856 0.060 -6.787 148 HD22 LEU 603 1HD2 LEU 603 5.974 -1.443 -5.871 149 HD23 LEU 603 2HD2 LEU 603 7.312 -0.929 -6.898 150 H VAL 604 H VAL 604 5.122 3.450 -2.861 151 HA VAL 604 HA VAL 604 3.035 2.533 -1.192 152 HB VAL 604 HB VAL 604 4.238 5.295 -1.463 153 HG11 VAL 604 1HG1 VAL 604 2.006 5.413 -0.463 154 HG12 VAL 604 2HG1 VAL 604 3.264 5.788 0.712 155 HG13 VAL 604 3HG1 VAL 604 2.480 4.209 0.735 156 HG21 VAL 604 3HG2 VAL 604 5.841 3.619 -0.766 157 HG22 VAL 604 1HG2 VAL 604 4.741 3.062 0.494 158 HG23 VAL 604 2HG2 VAL 604 5.443 4.675 0.590 159 H HIS 605 H HIS 605 3.154 4.979 -3.749 160 HA HIS 605 HA HIS 605 0.480 5.831 -3.579 161 HB2 HIS 605 1HB HIS 605 2.367 5.803 -5.931 162 HB3 HIS 605 2HB HIS 605 0.746 6.484 -6.020 163 HD1 HIS 605 HD1 HIS 605 0.448 8.831 -5.201 164 HD2 HIS 605 HD2 HIS 605 4.112 7.222 -4.096 165 HE1 HIS 605 HE1 HIS 605 1.744 10.733 -4.200 166 HE2 HIS 605 HE2 HIS 605 4.023 9.776 -3.729 167 H LYS 606 H LYS 606 1.957 3.128 -5.284 168 HA LYS 606 HA LYS 606 -0.210 2.255 -6.794 169 HB2 LYS 606 1HB LYS 606 1.851 0.569 -5.354 170 HB3 LYS 606 2HB LYS 606 0.815 0.013 -6.659 171 HG2 LYS 606 1HG LYS 606 2.806 2.250 -6.943 172 HG3 LYS 606 2HG LYS 606 3.155 0.563 -7.324 173 HD2 LYS 606 1HD LYS 606 0.924 2.157 -8.575 174 HD3 LYS 606 2HD LYS 606 2.521 1.955 -9.295 175 HE2 LYS 606 1HE LYS 606 2.186 -0.484 -9.303 176 HE3 LYS 606 2HE LYS 606 0.575 -0.252 -8.628 177 HZ1 LYS 606 3HZ LYS 606 0.470 -0.559 -11.004 178 HZ2 LYS 606 1HZ LYS 606 1.519 0.742 -11.258 179 HZ3 LYS 606 2HZ LYS 606 -0.021 1.010 -10.610 180 H LEU 607 H LEU 607 0.666 1.446 -3.446 181 HA LEU 607 HA LEU 607 -1.526 -0.268 -2.978 182 HB2 LEU 607 1HB LEU 607 0.667 -0.046 -1.667 183 HB3 LEU 607 2HB LEU 607 -0.086 1.314 -0.858 184 HG LEU 607 HG LEU 607 -1.439 -1.366 -0.867 185 HD11 LEU 607 1HD1 LEU 607 -0.312 -1.895 1.231 186 HD12 LEU 607 2HD1 LEU 607 0.691 -0.455 1.061 187 HD13 LEU 607 3HD1 LEU 607 0.839 -1.774 -0.101 188 HD21 LEU 607 3HD2 LEU 607 -1.412 0.922 1.098 189 HD22 LEU 607 1HD2 LEU 607 -2.372 -0.552 1.229 190 HD23 LEU 607 2HD2 LEU 607 -2.684 0.592 -0.078 191 H VAL 608 H VAL 608 -1.026 3.198 -2.377 192 HA VAL 608 HA VAL 608 -3.491 3.736 -1.138 193 HB VAL 608 HB VAL 608 -1.813 5.524 -2.912 194 HG11 VAL 608 1HG1 VAL 608 -2.988 7.399 -1.896 195 HG12 VAL 608 2HG1 VAL 608 -3.998 6.288 -0.979 196 HG13 VAL 608 3HG1 VAL 608 -4.123 6.341 -2.735 197 HG21 VAL 608 3HG2 VAL 608 -0.616 4.728 -0.956 198 HG22 VAL 608 1HG2 VAL 608 -1.938 5.247 0.087 199 HG23 VAL 608 2HG2 VAL 608 -0.988 6.444 -0.791 200 H GLN 609 H GLN 609 -2.529 3.863 -4.551 201 HA GLN 609 HA GLN 609 -4.980 4.611 -5.659 202 HB2 GLN 609 1HB GLN 609 -2.856 4.559 -6.917 203 HB3 GLN 609 2HB GLN 609 -2.870 2.803 -6.861 204 HG2 GLN 609 1HG GLN 609 -5.031 2.860 -8.115 205 HG3 GLN 609 2HG GLN 609 -4.808 4.600 -8.298 206 HE21 GLN 609 1HE2 GLN 609 -1.896 4.315 -8.558 207 HE22 GLN 609 2HE2 GLN 609 -1.622 3.708 -10.149 208 H ALA 610 H ALA 610 -3.739 1.465 -4.716 209 HA ALA 610 HA ALA 610 -5.695 -0.164 -5.883 210 HB1 ALA 610 3HB ALA 610 -5.003 -1.859 -4.276 211 HB2 ALA 610 1HB ALA 610 -4.152 -0.634 -3.335 212 HB3 ALA 610 2HB ALA 610 -3.604 -1.034 -4.963 213 H ILE 611 H ILE 611 -5.638 1.554 -2.780 214 HA ILE 611 HA ILE 611 -8.186 0.409 -2.021 215 HB ILE 611 HB ILE 611 -6.516 2.589 -0.660 216 HG12 ILE 611 1HG1 ILE 611 -6.905 -0.156 0.539 217 HG13 ILE 611 2HG1 ILE 611 -5.677 0.102 -0.713 218 HG21 ILE 611 1HG2 ILE 611 -8.879 1.156 0.552 219 HG22 ILE 611 2HG2 ILE 611 -8.931 2.780 -0.138 220 HG23 ILE 611 3HG2 ILE 611 -7.914 2.450 1.262 221 HD11 ILE 611 3HD1 ILE 611 -4.638 1.810 0.683 222 HD12 ILE 611 1HD1 ILE 611 -4.761 0.271 1.531 223 HD13 ILE 611 2HD1 ILE 611 -5.889 1.574 1.903 224 H PHE 612 H PHE 612 -6.973 3.365 -3.480 225 HA PHE 612 HA PHE 612 -9.653 4.284 -3.971 226 HB2 PHE 612 1HB PHE 612 -9.095 5.009 -1.603 227 HB3 PHE 612 2HB PHE 612 -7.850 6.035 -2.300 228 HD1 PHE 612 HD2 PHE 612 -11.397 5.336 -3.230 229 HD2 PHE 612 HD1 PHE 612 -8.467 8.222 -2.157 230 HE1 PHE 612 HE2 PHE 612 -13.057 7.127 -3.523 231 HE2 PHE 612 HE1 PHE 612 -10.120 10.016 -2.440 232 HZ PHE 612 HZ PHE 612 -12.420 9.472 -3.130 233 HA PRO 613 HA PRO 613 -6.602 5.468 -7.149 234 HB2 PRO 613 1HB PRO 613 -8.191 5.019 -9.312 235 HB3 PRO 613 2HB PRO 613 -7.336 3.722 -8.469 236 HG2 PRO 613 1HG PRO 613 -10.214 4.487 -8.362 237 HG3 PRO 613 2HG PRO 613 -9.471 2.884 -8.234 238 HD2 PRO 613 1HD PRO 613 -10.430 4.410 -6.092 239 HD3 PRO 613 2HD PRO 613 -9.288 3.045 -5.975 240 H THR 614 H THR 614 -10.008 6.501 -7.034 241 HA THR 614 HA THR 614 -9.744 8.683 -8.792 242 HB THR 614 HB THR 614 -11.895 9.470 -7.678 243 HG1 THR 614 HG1 THR 614 -11.345 8.308 -5.662 244 HG21 THR 614 1HG2 THR 614 -11.728 6.636 -8.725 245 HG22 THR 614 2HG2 THR 614 -11.911 8.100 -9.692 246 HG23 THR 614 3HG2 THR 614 -13.204 7.594 -8.604 247 HA PRO 615 HA PRO 615 -7.761 11.486 -5.837 248 HB2 PRO 615 1HB PRO 615 -7.347 13.285 -8.060 249 HB3 PRO 615 2HB PRO 615 -6.147 12.307 -7.200 250 HG2 PRO 615 1HG PRO 615 -6.851 11.845 -9.809 251 HG3 PRO 615 2HG PRO 615 -6.253 10.573 -8.717 252 HD2 PRO 615 1HD PRO 615 -9.090 11.263 -9.473 253 HD3 PRO 615 2HD PRO 615 -8.323 9.659 -9.366 254 H ASP 616 H ASP 616 -10.329 11.571 -5.475 255 HA ASP 616 HA ASP 616 -11.777 13.780 -6.496 256 HB2 ASP 616 1HB ASP 616 -12.893 11.862 -5.384 257 HB3 ASP 616 2HB ASP 616 -12.127 12.306 -3.861 258 HA PRO 617 HA PRO 617 -9.557 17.094 -4.605 259 HB2 PRO 617 1HB PRO 617 -11.616 18.976 -4.689 260 HB3 PRO 617 2HB PRO 617 -10.530 18.593 -6.034 261 HG2 PRO 617 1HG PRO 617 -13.292 17.589 -5.473 262 HG3 PRO 617 2HG PRO 617 -12.569 18.090 -7.018 263 HD2 PRO 617 1HD PRO 617 -12.843 15.506 -6.418 264 HD3 PRO 617 2HD PRO 617 -11.388 16.092 -7.266 265 H ALA 618 H ALA 618 -12.704 16.103 -3.374 266 HA ALA 618 HA ALA 618 -12.339 17.632 -0.926 267 HB1 ALA 618 3HB ALA 618 -14.575 17.480 -1.921 268 HB2 ALA 618 1HB ALA 618 -14.536 16.805 -0.293 269 HB3 ALA 618 2HB ALA 618 -14.550 15.733 -1.692 270 H ALA 619 H ALA 619 -12.737 14.215 -1.842 271 HA ALA 619 HA ALA 619 -12.142 13.089 0.637 272 HB1 ALA 619 3HB ALA 619 -13.088 11.878 -1.308 273 HB2 ALA 619 1HB ALA 619 -11.749 11.032 -0.533 274 HB3 ALA 619 2HB ALA 619 -11.486 11.895 -2.046 275 H LEU 620 H LEU 620 -10.030 14.432 -1.763 276 HA LEU 620 HA LEU 620 -7.601 13.227 -0.922 277 HB2 LEU 620 1HB LEU 620 -8.341 14.897 -2.964 278 HB3 LEU 620 2HB LEU 620 -7.431 15.986 -1.939 279 HG LEU 620 HG LEU 620 -6.013 15.061 -3.680 280 HD11 LEU 620 1HD1 LEU 620 -5.337 13.946 -0.964 281 HD12 LEU 620 2HD1 LEU 620 -4.941 15.555 -1.569 282 HD13 LEU 620 3HD1 LEU 620 -4.210 14.131 -2.306 283 HD21 LEU 620 3HD2 LEU 620 -7.224 12.976 -4.063 284 HD22 LEU 620 1HD2 LEU 620 -6.657 12.357 -2.513 285 HD23 LEU 620 2HD2 LEU 620 -5.505 12.688 -3.805 286 H LYS 621 H LYS 621 -9.467 15.955 0.193 287 HA LYS 621 HA LYS 621 -7.344 16.817 2.009 288 HB2 LYS 621 1HB LYS 621 -10.094 18.000 1.504 289 HB3 LYS 621 2HB LYS 621 -8.833 18.716 2.499 290 HG2 LYS 621 1HG LYS 621 -8.640 18.214 -0.465 291 HG3 LYS 621 2HG LYS 621 -8.986 19.765 0.297 292 HD2 LYS 621 1HD LYS 621 -6.459 18.161 0.683 293 HD3 LYS 621 2HD LYS 621 -6.629 19.552 -0.389 294 HE2 LYS 621 1HE LYS 621 -7.251 20.926 1.585 295 HE3 LYS 621 2HE LYS 621 -6.928 19.532 2.613 296 HZ1 LYS 621 3HZ LYS 621 -4.640 19.540 1.820 297 HZ2 LYS 621 1HZ LYS 621 -5.039 21.010 2.552 298 HZ3 LYS 621 2HZ LYS 621 -4.955 20.897 0.867 299 H ASP 622 H ASP 622 -9.256 14.350 2.164 300 HA ASP 622 HA ASP 622 -10.537 14.845 4.738 301 HB2 ASP 622 1HB ASP 622 -11.690 13.532 2.906 302 HB3 ASP 622 2HB ASP 622 -10.503 12.256 3.168 303 H ARG 623 H ARG 623 -9.779 14.182 6.633 304 HA ARG 623 HA ARG 623 -7.116 13.427 6.952 305 HB2 ARG 623 1HB ARG 623 -9.429 13.335 8.884 306 HB3 ARG 623 2HB ARG 623 -7.756 13.060 9.345 307 HG2 ARG 623 1HG ARG 623 -8.900 15.606 8.194 308 HG3 ARG 623 2HG ARG 623 -8.400 15.327 9.863 309 HD2 ARG 623 1HD ARG 623 -6.104 14.997 9.141 310 HD3 ARG 623 2HD ARG 623 -6.586 15.204 7.458 311 HE ARG 623 HE ARG 623 -7.320 17.453 9.037 312 HH11 ARG 623 1HH1 ARG 623 -4.613 15.925 7.422 313 HH12 ARG 623 2HH1 ARG 623 -3.735 17.414 7.223 314 HH21 ARG 623 1HH2 ARG 623 -6.181 19.403 8.773 315 HH22 ARG 623 2HH2 ARG 623 -4.620 19.394 8.014 316 H ARG 624 H ARG 624 -10.047 11.447 6.868 317 HA ARG 624 HA ARG 624 -8.842 9.093 7.891 318 HB2 ARG 624 1HB ARG 624 -11.312 9.469 7.778 319 HB3 ARG 624 2HB ARG 624 -11.224 9.282 6.033 320 HG2 ARG 624 1HG ARG 624 -10.521 7.000 6.251 321 HG3 ARG 624 2HG ARG 624 -10.380 7.167 8.000 322 HD2 ARG 624 1HD ARG 624 -12.928 7.357 6.389 323 HD3 ARG 624 2HD ARG 624 -12.430 5.996 7.393 324 HE ARG 624 HE ARG 624 -12.728 8.607 8.670 325 HH11 ARG 624 1HH1 ARG 624 -13.986 5.382 8.141 326 HH12 ARG 624 2HH1 ARG 624 -15.061 5.448 9.500 327 HH21 ARG 624 1HH2 ARG 624 -14.136 8.696 10.446 328 HH22 ARG 624 2HH2 ARG 624 -15.150 7.334 10.815 329 H MET 625 H MET 625 -9.256 10.433 4.658 330 HA MET 625 HA MET 625 -8.211 8.341 3.140 331 HB2 MET 625 1HB MET 625 -8.678 9.807 1.518 332 HB3 MET 625 2HB MET 625 -8.847 11.090 2.699 333 HG2 MET 625 1HG MET 625 -7.282 11.876 1.148 334 HG3 MET 625 2HG MET 625 -6.334 11.408 2.559 335 HE1 MET 625 3HE MET 625 -6.546 9.032 -1.398 336 HE2 MET 625 1HE MET 625 -7.339 10.583 -1.121 337 HE3 MET 625 2HE MET 625 -7.917 9.137 -0.293 338 H GLU 626 H GLU 626 -6.550 10.946 4.844 339 HA GLU 626 HA GLU 626 -3.939 10.359 4.049 340 HB2 GLU 626 1HB GLU 626 -4.824 11.472 6.712 341 HB3 GLU 626 2HB GLU 626 -3.211 11.590 6.025 342 HG2 GLU 626 1HG GLU 626 -4.246 12.848 4.107 343 HG3 GLU 626 2HG GLU 626 -5.729 12.909 5.059 344 H ASN 627 H ASN 627 -5.920 9.004 6.617 345 HA ASN 627 HA ASN 627 -3.927 7.574 7.984 346 HB2 ASN 627 1HB ASN 627 -6.862 6.906 7.655 347 HB3 ASN 627 2HB ASN 627 -5.788 6.127 8.818 348 HD21 ASN 627 1HD2 ASN 627 -4.397 8.767 9.301 349 HD22 ASN 627 2HD2 ASN 627 -5.485 9.687 10.291 350 H LEU 628 H LEU 628 -5.907 6.704 5.175 351 HA LEU 628 HA LEU 628 -4.976 3.996 5.093 352 HB2 LEU 628 1HB LEU 628 -6.246 3.722 3.184 353 HB3 LEU 628 2HB LEU 628 -7.090 5.062 3.929 354 HG LEU 628 HG LEU 628 -5.595 6.523 2.342 355 HD11 LEU 628 1HD1 LEU 628 -4.166 4.784 1.483 356 HD12 LEU 628 2HD1 LEU 628 -5.203 5.373 0.185 357 HD13 LEU 628 3HD1 LEU 628 -5.564 3.839 0.971 358 HD21 LEU 628 3HD2 LEU 628 -7.357 6.515 0.743 359 HD22 LEU 628 1HD2 LEU 628 -8.078 6.211 2.323 360 HD23 LEU 628 2HD2 LEU 628 -7.837 4.878 1.194 361 H VAL 629 H VAL 629 -3.873 7.037 3.690 362 HA VAL 629 HA VAL 629 -1.830 5.927 2.057 363 HB VAL 629 HB VAL 629 -1.945 8.663 3.353 364 HG11 VAL 629 1HG1 VAL 629 -0.382 9.332 1.576 365 HG12 VAL 629 2HG1 VAL 629 -0.287 7.654 1.042 366 HG13 VAL 629 3HG1 VAL 629 0.309 8.107 2.639 367 HG21 VAL 629 3HG2 VAL 629 -2.807 9.430 1.191 368 HG22 VAL 629 1HG2 VAL 629 -3.881 8.247 1.937 369 HG23 VAL 629 2HG2 VAL 629 -2.824 7.764 0.610 370 H ALA 630 H ALA 630 -1.929 7.176 5.361 371 HA ALA 630 HA ALA 630 0.734 6.739 6.052 372 HB1 ALA 630 3HB ALA 630 -1.733 6.712 7.781 373 HB2 ALA 630 1HB ALA 630 -0.665 8.072 7.463 374 HB3 ALA 630 2HB ALA 630 -0.084 6.698 8.400 375 H TYR 631 H TYR 631 -2.047 4.551 6.095 376 HA TYR 631 HA TYR 631 -0.800 2.360 7.328 377 HB2 TYR 631 1HB TYR 631 -3.264 2.519 6.857 378 HB3 TYR 631 2HB TYR 631 -2.910 2.210 5.160 379 HD1 TYR 631 HD1 TYR 631 -2.077 0.735 8.488 380 HD2 TYR 631 HD2 TYR 631 -3.222 0.029 4.453 381 HE1 TYR 631 HE1 TYR 631 -2.186 -1.674 8.947 382 HE2 TYR 631 HE2 TYR 631 -3.329 -2.388 4.905 383 HH TYR 631 HH TYR 631 -3.262 -3.656 8.071 384 H ALA 632 H ALA 632 -0.885 3.389 3.934 385 HA ALA 632 HA ALA 632 0.503 1.192 2.851 386 HB1 ALA 632 3HB ALA 632 0.516 4.049 1.874 387 HB2 ALA 632 1HB ALA 632 -0.706 2.844 1.474 388 HB3 ALA 632 2HB ALA 632 0.957 2.623 0.938 389 H LYS 633 H LYS 633 1.686 4.354 4.031 390 HA LYS 633 HA LYS 633 4.388 4.026 3.881 391 HB2 LYS 633 1HB LYS 633 2.747 5.158 6.128 392 HB3 LYS 633 2HB LYS 633 4.454 5.455 5.908 393 HG2 LYS 633 1HG LYS 633 2.159 6.374 4.202 394 HG3 LYS 633 2HG LYS 633 3.296 7.362 5.115 395 HD2 LYS 633 1HD LYS 633 5.105 6.616 3.617 396 HD3 LYS 633 2HD LYS 633 3.918 5.690 2.692 397 HE2 LYS 633 1HE LYS 633 4.405 7.843 1.629 398 HE3 LYS 633 2HE LYS 633 2.722 7.732 2.137 399 HZ1 LYS 633 3HZ LYS 633 3.304 9.032 4.117 400 HZ2 LYS 633 1HZ LYS 633 3.615 9.885 2.691 401 HZ3 LYS 633 2HZ LYS 633 4.890 9.187 3.555 402 H LYS 634 H LYS 634 2.319 3.060 6.585 403 HA LYS 634 HA LYS 634 4.223 1.814 8.174 404 HB2 LYS 634 1HB LYS 634 1.319 1.046 7.825 405 HB3 LYS 634 2HB LYS 634 2.352 0.528 9.152 406 HG2 LYS 634 1HG LYS 634 2.599 2.826 9.889 407 HG3 LYS 634 2HG LYS 634 1.616 3.380 8.532 408 HD2 LYS 634 1HD LYS 634 -0.263 2.009 9.413 409 HD3 LYS 634 2HD LYS 634 0.729 1.626 10.821 410 HE2 LYS 634 1HE LYS 634 -0.086 4.399 9.957 411 HE3 LYS 634 2HE LYS 634 -0.842 3.472 11.250 412 HZ1 LYS 634 3HZ LYS 634 0.783 5.091 12.063 413 HZ2 LYS 634 1HZ LYS 634 2.009 4.302 11.205 414 HZ3 LYS 634 2HZ LYS 634 1.213 3.506 12.468 415 H VAL 635 H VAL 635 2.185 0.375 5.646 416 HA VAL 635 HA VAL 635 3.256 -2.166 5.558 417 HB VAL 635 HB VAL 635 2.129 -0.389 3.417 418 HG11 VAL 635 1HG1 VAL 635 3.814 -1.689 2.257 419 HG12 VAL 635 2HG1 VAL 635 2.206 -2.289 1.848 420 HG13 VAL 635 3HG1 VAL 635 3.211 -3.170 2.997 421 HG21 VAL 635 3HG2 VAL 635 0.352 -2.058 3.408 422 HG22 VAL 635 1HG2 VAL 635 0.612 -1.430 5.034 423 HG23 VAL 635 2HG2 VAL 635 1.238 -3.019 4.592 424 H GLU 636 H GLU 636 4.467 0.755 3.923 425 HA GLU 636 HA GLU 636 6.606 -0.352 2.557 426 HB2 GLU 636 1HB GLU 636 6.149 1.843 1.975 427 HB3 GLU 636 2HB GLU 636 5.914 2.351 3.637 428 HG2 GLU 636 1HG GLU 636 8.365 2.194 3.970 429 HG3 GLU 636 2HG GLU 636 8.528 1.857 2.245 430 H GLY 637 H GLY 637 6.422 0.853 5.889 431 HA2 GLY 637 1HA GLY 637 9.134 0.453 6.559 432 HA3 GLY 637 2HA GLY 637 7.804 0.515 7.705 433 H ASP 638 H ASP 638 6.315 -1.687 7.027 434 HA ASP 638 HA ASP 638 7.755 -3.788 8.243 435 HB2 ASP 638 1HB ASP 638 5.326 -3.662 8.404 436 HB3 ASP 638 2HB ASP 638 5.175 -3.873 6.664 437 H MET 639 H MET 639 6.895 -3.155 4.878 438 HA MET 639 HA MET 639 7.952 -5.528 3.780 439 HB2 MET 639 1HB MET 639 7.804 -2.807 2.439 440 HB3 MET 639 2HB MET 639 8.032 -4.351 1.624 441 HG2 MET 639 1HG MET 639 5.583 -3.568 3.194 442 HG3 MET 639 2HG MET 639 5.719 -3.481 1.433 443 HE1 MET 639 3HE MET 639 3.616 -4.872 1.099 444 HE2 MET 639 1HE MET 639 3.328 -5.085 2.827 445 HE3 MET 639 2HE MET 639 3.331 -6.485 1.753 446 H TYR 640 H TYR 640 9.413 -2.469 4.599 447 HA TYR 640 HA TYR 640 11.767 -2.591 3.196 448 HB2 TYR 640 1HB TYR 640 10.931 -0.710 4.762 449 HB3 TYR 640 2HB TYR 640 11.776 -1.583 6.036 450 HD1 TYR 640 HD2 TYR 640 12.698 -0.911 2.484 451 HD2 TYR 640 HD1 TYR 640 13.665 -0.308 6.590 452 HE1 TYR 640 HE2 TYR 640 14.769 0.215 1.830 453 HE2 TYR 640 HE1 TYR 640 15.743 0.819 5.934 454 HH TYR 640 HH TYR 640 16.379 1.775 2.693 455 H GLU 641 H GLU 641 11.058 -4.286 6.238 456 HA GLU 641 HA GLU 641 13.740 -5.264 6.592 457 HB2 GLU 641 1HB GLU 641 11.090 -5.961 7.776 458 HB3 GLU 641 2HB GLU 641 12.401 -7.140 7.941 459 HG2 GLU 641 1HG GLU 641 12.418 -5.766 9.931 460 HG3 GLU 641 2HG GLU 641 13.792 -5.229 8.955 461 H SER 642 H SER 642 10.794 -6.681 5.286 462 HA SER 642 HA SER 642 11.872 -9.178 4.555 463 HB2 SER 642 1HB SER 642 9.412 -8.453 4.844 464 HB3 SER 642 2HB SER 642 9.526 -7.888 3.179 465 HG SER 642 HG SER 642 10.423 -10.204 2.879 466 H ALA 643 H ALA 643 11.581 -6.141 2.877 467 HA ALA 643 HA ALA 643 12.142 -6.787 0.248 468 HB1 ALA 643 3HB ALA 643 12.952 -4.275 1.683 469 HB2 ALA 643 1HB ALA 643 11.339 -4.615 1.054 470 HB3 ALA 643 2HB ALA 643 12.706 -4.476 -0.053 471 H ASN 644 H ASN 644 14.049 -8.147 2.105 472 HA ASN 644 HA ASN 644 16.640 -6.921 1.658 473 HB2 ASN 644 1HB ASN 644 16.008 -8.418 3.697 474 HB3 ASN 644 2HB ASN 644 16.158 -9.780 2.587 475 HD21 ASN 644 1HD2 ASN 644 18.181 -6.886 2.512 476 HD22 ASN 644 2HD2 ASN 644 19.656 -7.677 2.970 477 H SER 645 H SER 645 14.495 -8.549 -0.223 478 HA SER 645 HA SER 645 16.581 -9.189 -2.169 479 HB2 SER 645 1HB SER 645 14.133 -10.893 -1.633 480 HB3 SER 645 2HB SER 645 15.337 -11.177 -2.886 481 HG SER 645 HG SER 645 15.543 -11.495 -0.104 482 H ARG 646 H ARG 646 16.129 -8.367 -4.180 483 HA ARG 646 HA ARG 646 14.240 -6.349 -4.474 484 HB2 ARG 646 1HB ARG 646 15.687 -7.984 -6.551 485 HB3 ARG 646 2HB ARG 646 14.681 -6.604 -6.956 486 HG2 ARG 646 1HG ARG 646 16.997 -6.406 -5.058 487 HG3 ARG 646 2HG ARG 646 17.171 -6.203 -6.801 488 HD2 ARG 646 1HD ARG 646 15.385 -4.571 -5.000 489 HD3 ARG 646 2HD ARG 646 16.932 -4.051 -5.662 490 HE ARG 646 HE ARG 646 14.835 -4.830 -7.546 491 HH11 ARG 646 1HH1 ARG 646 16.717 -2.271 -6.060 492 HH12 ARG 646 2HH1 ARG 646 16.237 -1.076 -7.217 493 HH21 ARG 646 1HH2 ARG 646 14.209 -3.254 -9.071 494 HH22 ARG 646 2HH2 ARG 646 14.817 -1.634 -8.935 495 H ASP 647 H ASP 647 14.099 -9.668 -5.741 496 HA ASP 647 HA ASP 647 11.600 -9.417 -6.997 497 HB2 ASP 647 1HB ASP 647 13.145 -11.264 -7.483 498 HB3 ASP 647 2HB ASP 647 12.883 -11.916 -5.867 499 H GLU 648 H GLU 648 12.463 -10.395 -3.726 500 HA GLU 648 HA GLU 648 9.932 -11.284 -2.901 501 HB2 GLU 648 1HB GLU 648 12.120 -11.628 -1.693 502 HB3 GLU 648 2HB GLU 648 11.995 -9.969 -1.124 503 HG2 GLU 648 1HG GLU 648 10.000 -10.464 0.096 504 HG3 GLU 648 2HG GLU 648 9.918 -12.067 -0.625 505 H TYR 649 H TYR 649 11.437 -8.093 -2.744 506 HA TYR 649 HA TYR 649 9.520 -6.753 -1.267 507 HB2 TYR 649 1HB TYR 649 11.788 -5.902 -2.058 508 HB3 TYR 649 2HB TYR 649 11.012 -5.526 -3.590 509 HD1 TYR 649 HD2 TYR 649 9.004 -5.062 -0.589 510 HD2 TYR 649 HD1 TYR 649 11.759 -3.190 -3.235 511 HE1 TYR 649 HE2 TYR 649 8.358 -2.864 0.296 512 HE2 TYR 649 HE1 TYR 649 11.126 -0.990 -2.348 513 HH TYR 649 HH TYR 649 9.059 0.004 -1.188 514 H TYR 650 H TYR 650 9.665 -7.128 -4.837 515 HA TYR 650 HA TYR 650 7.320 -5.724 -5.376 516 HB2 TYR 650 1HB TYR 650 8.987 -7.728 -6.851 517 HB3 TYR 650 2HB TYR 650 7.487 -7.134 -7.523 518 HD1 TYR 650 HD2 TYR 650 10.906 -6.227 -6.576 519 HD2 TYR 650 HD1 TYR 650 7.273 -4.868 -8.325 520 HE1 TYR 650 HE2 TYR 650 12.071 -4.243 -7.443 521 HE2 TYR 650 HE1 TYR 650 8.429 -2.883 -9.198 522 HH TYR 650 HH TYR 650 10.419 -1.552 -8.730 523 H HIS 651 H HIS 651 7.913 -9.099 -4.532 524 HA HIS 651 HA HIS 651 5.423 -10.105 -5.485 525 HB2 HIS 651 1HB HIS 651 7.388 -11.557 -5.101 526 HB3 HIS 651 2HB HIS 651 7.268 -11.246 -3.373 527 HD1 HIS 651 HD1 HIS 651 6.037 -12.991 -2.116 528 HD2 HIS 651 HD2 HIS 651 4.834 -12.797 -6.093 529 HE1 HIS 651 HE1 HIS 651 4.369 -14.845 -2.412 530 HE2 HIS 651 HE2 HIS 651 3.762 -14.795 -4.854 531 H LEU 652 H LEU 652 6.590 -8.922 -2.381 532 HA LEU 652 HA LEU 652 4.375 -9.644 -0.816 533 HB2 LEU 652 1HB LEU 652 6.301 -7.340 -0.528 534 HB3 LEU 652 2HB LEU 652 5.179 -7.857 0.715 535 HG LEU 652 HG LEU 652 7.265 -9.713 -0.402 536 HD11 LEU 652 1HD1 LEU 652 7.505 -7.832 1.942 537 HD12 LEU 652 2HD1 LEU 652 8.426 -7.754 0.439 538 HD13 LEU 652 3HD1 LEU 652 8.645 -9.115 1.539 539 HD21 LEU 652 3HD2 LEU 652 5.404 -10.711 0.838 540 HD22 LEU 652 1HD2 LEU 652 5.743 -9.647 2.202 541 HD23 LEU 652 2HD2 LEU 652 6.924 -10.865 1.721 542 H LEU 653 H LEU 653 5.166 -6.543 -2.359 543 HA LEU 653 HA LEU 653 2.842 -5.198 -1.576 544 HB2 LEU 653 1HB LEU 653 4.734 -4.777 -3.875 545 HB3 LEU 653 2HB LEU 653 3.380 -3.703 -3.571 546 HG LEU 653 HG LEU 653 5.251 -4.240 -1.316 547 HD11 LEU 653 1HD1 LEU 653 5.887 -2.584 -3.734 548 HD12 LEU 653 2HD1 LEU 653 6.872 -3.825 -2.963 549 HD13 LEU 653 3HD1 LEU 653 6.617 -2.281 -2.159 550 HD21 LEU 653 3HD2 LEU 653 3.239 -2.856 -1.025 551 HD22 LEU 653 1HD2 LEU 653 3.825 -1.762 -2.279 552 HD23 LEU 653 2HD2 LEU 653 4.721 -1.934 -0.770 553 H ALA 654 H ALA 654 3.543 -6.991 -4.561 554 HA ALA 654 HA ALA 654 1.148 -6.536 -5.903 555 HB1 ALA 654 3HB ALA 654 3.126 -7.616 -6.891 556 HB2 ALA 654 1HB ALA 654 1.644 -8.529 -7.178 557 HB3 ALA 654 2HB ALA 654 2.787 -9.066 -5.946 558 H GLU 655 H GLU 655 1.933 -9.008 -3.493 559 HA GLU 655 HA GLU 655 -0.436 -10.500 -3.676 560 HB2 GLU 655 1HB GLU 655 1.165 -11.608 -2.412 561 HB3 GLU 655 2HB GLU 655 1.596 -10.156 -1.503 562 HG2 GLU 655 1HG GLU 655 -0.550 -10.305 -0.312 563 HG3 GLU 655 2HG GLU 655 -0.925 -11.777 -1.202 564 H LYS 656 H LYS 656 0.356 -7.766 -1.541 565 HA LYS 656 HA LYS 656 -2.095 -7.863 -0.129 566 HB2 LYS 656 1HB LYS 656 0.030 -5.758 -0.392 567 HB3 LYS 656 2HB LYS 656 -1.461 -5.428 0.473 568 HG2 LYS 656 1HG LYS 656 0.129 -6.062 2.099 569 HG3 LYS 656 2HG LYS 656 -0.948 -7.445 1.902 570 HD2 LYS 656 1HD LYS 656 0.669 -8.565 0.515 571 HD3 LYS 656 2HD LYS 656 1.716 -7.148 0.524 572 HE2 LYS 656 1HE LYS 656 2.694 -8.574 2.083 573 HE3 LYS 656 2HE LYS 656 1.768 -7.448 3.071 574 HZ1 LYS 656 3HZ LYS 656 0.006 -9.108 3.208 575 HZ2 LYS 656 1HZ LYS 656 1.467 -9.700 3.824 576 HZ3 LYS 656 2HZ LYS 656 0.939 -10.191 2.291 577 H ILE 657 H ILE 657 -1.036 -6.049 -2.975 578 HA ILE 657 HA ILE 657 -3.333 -4.418 -3.199 579 HB ILE 657 HB ILE 657 -1.416 -5.393 -5.343 580 HG12 ILE 657 1HG1 ILE 657 -1.584 -2.751 -3.866 581 HG13 ILE 657 2HG1 ILE 657 -0.405 -4.018 -3.550 582 HG21 ILE 657 1HG2 ILE 657 -2.279 -3.536 -6.708 583 HG22 ILE 657 2HG2 ILE 657 -3.502 -3.216 -5.479 584 HG23 ILE 657 3HG2 ILE 657 -3.519 -4.743 -6.362 585 HD11 ILE 657 3HD1 ILE 657 0.492 -3.737 -5.807 586 HD12 ILE 657 1HD1 ILE 657 0.566 -2.241 -4.875 587 HD13 ILE 657 2HD1 ILE 657 -0.681 -2.454 -6.105 588 H TYR 658 H TYR 658 -2.502 -7.589 -4.576 589 HA TYR 658 HA TYR 658 -4.891 -7.868 -6.069 590 HB2 TYR 658 1HB TYR 658 -2.722 -9.263 -6.296 591 HB3 TYR 658 2HB TYR 658 -3.380 -10.242 -4.989 592 HD1 TYR 658 HD2 TYR 658 -4.972 -8.683 -7.996 593 HD2 TYR 658 HD1 TYR 658 -4.109 -12.285 -5.882 594 HE1 TYR 658 HE2 TYR 658 -6.301 -9.956 -9.615 595 HE2 TYR 658 HE1 TYR 658 -5.440 -13.553 -7.500 596 HH TYR 658 HH TYR 658 -7.274 -13.160 -9.096 597 H LYS 659 H LYS 659 -4.043 -8.735 -2.736 598 HA LYS 659 HA LYS 659 -6.314 -10.246 -2.116 599 HB2 LYS 659 1HB LYS 659 -4.507 -8.516 -0.456 600 HB3 LYS 659 2HB LYS 659 -5.925 -9.266 0.262 601 HG2 LYS 659 1HG LYS 659 -3.720 -10.762 -1.139 602 HG3 LYS 659 2HG LYS 659 -3.849 -10.553 0.607 603 HD2 LYS 659 1HD LYS 659 -6.052 -11.684 0.542 604 HD3 LYS 659 2HD LYS 659 -5.829 -11.962 -1.184 605 HE2 LYS 659 1HE LYS 659 -3.943 -12.961 0.945 606 HE3 LYS 659 2HE LYS 659 -5.262 -13.914 0.268 607 HZ1 LYS 659 3HZ LYS 659 -4.247 -13.775 -1.889 608 HZ2 LYS 659 1HZ LYS 659 -3.118 -14.375 -0.786 609 HZ3 LYS 659 2HZ LYS 659 -3.021 -12.772 -1.307 610 H ILE 660 H ILE 660 -5.791 -6.750 -1.864 611 HA ILE 660 HA ILE 660 -8.365 -6.098 -0.957 612 HB ILE 660 HB ILE 660 -6.069 -4.625 -1.989 613 HG12 ILE 660 1HG1 ILE 660 -8.245 -3.964 -0.007 614 HG13 ILE 660 2HG1 ILE 660 -6.729 -4.778 0.364 615 HG21 ILE 660 1HG2 ILE 660 -7.596 -3.813 -3.689 616 HG22 ILE 660 2HG2 ILE 660 -7.334 -2.548 -2.491 617 HG23 ILE 660 3HG2 ILE 660 -8.828 -3.484 -2.472 618 HD11 ILE 660 3HD1 ILE 660 -7.016 -1.980 -0.693 619 HD12 ILE 660 1HD1 ILE 660 -5.497 -2.789 -0.311 620 HD13 ILE 660 2HD1 ILE 660 -6.656 -2.432 0.972 621 H GLN 661 H GLN 661 -7.123 -6.660 -4.185 622 HA GLN 661 HA GLN 661 -9.373 -5.572 -5.576 623 HB2 GLN 661 1HB GLN 661 -7.306 -7.585 -6.516 624 HB3 GLN 661 2HB GLN 661 -8.550 -6.892 -7.542 625 HG2 GLN 661 1HG GLN 661 -7.610 -4.638 -7.128 626 HG3 GLN 661 2HG GLN 661 -6.336 -5.372 -6.161 627 HE21 GLN 661 1HE2 GLN 661 -6.146 -3.796 -8.593 628 HE22 GLN 661 2HE2 GLN 661 -5.300 -4.783 -9.732 629 H LYS 662 H LYS 662 -8.482 -8.762 -4.419 630 HA LYS 662 HA LYS 662 -10.698 -10.165 -5.457 631 HB2 LYS 662 1HB LYS 662 -9.032 -10.772 -3.008 632 HB3 LYS 662 2HB LYS 662 -10.099 -11.902 -3.826 633 HG2 LYS 662 1HG LYS 662 -8.708 -11.773 -5.831 634 HG3 LYS 662 2HG LYS 662 -7.640 -10.632 -5.015 635 HD2 LYS 662 1HD LYS 662 -6.499 -12.598 -4.692 636 HD3 LYS 662 2HD LYS 662 -7.472 -12.539 -3.224 637 HE2 LYS 662 1HE LYS 662 -8.116 -14.101 -5.726 638 HE3 LYS 662 2HE LYS 662 -7.490 -14.770 -4.223 639 HZ1 LYS 662 3HZ LYS 662 -10.149 -13.533 -4.670 640 HZ2 LYS 662 1HZ LYS 662 -9.545 -13.919 -3.138 641 HZ3 LYS 662 2HZ LYS 662 -9.812 -15.139 -4.271 642 H GLU 663 H GLU 663 -10.126 -8.474 -2.406 643 HA GLU 663 HA GLU 663 -12.516 -9.171 -1.101 644 HB2 GLU 663 1HB GLU 663 -10.763 -6.728 -0.869 645 HB3 GLU 663 2HB GLU 663 -12.137 -7.023 0.182 646 HG2 GLU 663 1HG GLU 663 -9.855 -8.956 -0.104 647 HG3 GLU 663 2HG GLU 663 -9.886 -7.665 1.096 648 H LEU 664 H LEU 664 -11.722 -6.352 -3.125 649 HA LEU 664 HA LEU 664 -14.219 -5.088 -3.000 650 HB2 LEU 664 1HB LEU 664 -12.241 -5.120 -5.286 651 HB3 LEU 664 2HB LEU 664 -13.560 -3.981 -5.104 652 HG LEU 664 HG LEU 664 -11.196 -4.228 -3.241 653 HD11 LEU 664 1HD1 LEU 664 -10.515 -2.077 -4.163 654 HD12 LEU 664 2HD1 LEU 664 -11.879 -2.115 -5.281 655 HD13 LEU 664 3HD1 LEU 664 -10.590 -3.310 -5.421 656 HD21 LEU 664 3HD2 LEU 664 -13.181 -3.495 -2.059 657 HD22 LEU 664 1HD2 LEU 664 -13.486 -2.267 -3.287 658 HD23 LEU 664 2HD2 LEU 664 -12.060 -2.150 -2.257 659 H GLU 665 H GLU 665 -12.958 -7.570 -5.136 660 HA GLU 665 HA GLU 665 -15.111 -7.768 -6.915 661 HB2 GLU 665 1HB GLU 665 -12.951 -8.813 -7.324 662 HB3 GLU 665 2HB GLU 665 -13.166 -9.863 -5.932 663 HG2 GLU 665 1HG GLU 665 -15.131 -10.867 -7.085 664 HG3 GLU 665 2HG GLU 665 -14.713 -9.909 -8.508 665 H GLU 666 H GLU 666 -14.395 -9.588 -3.953 666 HA GLU 666 HA GLU 666 -16.662 -11.209 -3.965 667 HB2 GLU 666 1HB GLU 666 -14.657 -10.417 -1.945 668 HB3 GLU 666 2HB GLU 666 -16.168 -11.083 -1.336 669 HG2 GLU 666 1HG GLU 666 -14.353 -12.402 -3.336 670 HG3 GLU 666 2HG GLU 666 -14.465 -12.803 -1.622 671 H LYS 667 H LYS 667 -16.227 -7.981 -2.572 672 HA LYS 667 HA LYS 667 -18.618 -7.974 -1.088 673 HB2 LYS 667 1HB LYS 667 -17.142 -5.636 -2.319 674 HB3 LYS 667 2HB LYS 667 -18.431 -5.498 -1.135 675 HG2 LYS 667 1HG LYS 667 -16.846 -7.071 0.274 676 HG3 LYS 667 2HG LYS 667 -15.606 -6.378 -0.783 677 HD2 LYS 667 1HD LYS 667 -15.757 -5.057 1.219 678 HD3 LYS 667 2HD LYS 667 -16.380 -4.121 -0.138 679 HE2 LYS 667 1HE LYS 667 -17.786 -3.851 1.836 680 HE3 LYS 667 2HE LYS 667 -18.670 -4.649 0.541 681 HZ1 LYS 667 3HZ LYS 667 -17.402 -6.036 2.838 682 HZ2 LYS 667 1HZ LYS 667 -18.337 -6.759 1.629 683 HZ3 LYS 667 2HZ LYS 667 -19.048 -5.674 2.713 684 H ARG 668 H ARG 668 -17.992 -6.975 -4.457 685 HA ARG 668 HA ARG 668 -20.723 -6.302 -4.807 686 HB2 ARG 668 1HB ARG 668 -18.414 -6.422 -6.700 687 HB3 ARG 668 2HB ARG 668 -20.051 -6.145 -7.274 688 HG2 ARG 668 1HG ARG 668 -19.159 -4.012 -7.096 689 HG3 ARG 668 2HG ARG 668 -20.094 -4.192 -5.616 690 HD2 ARG 668 1HD ARG 668 -18.039 -4.767 -4.404 691 HD3 ARG 668 2HD ARG 668 -17.115 -4.545 -5.888 692 HE ARG 668 HE ARG 668 -18.667 -2.346 -4.685 693 HH11 ARG 668 1HH1 ARG 668 -15.659 -3.607 -5.987 694 HH12 ARG 668 2HH1 ARG 668 -14.837 -2.082 -5.878 695 HH21 ARG 668 1HH2 ARG 668 -17.576 -0.349 -4.553 696 HH22 ARG 668 2HH2 ARG 668 -15.923 -0.235 -5.068 697 H ARG 669 H ARG 669 -18.796 -8.996 -5.182 698 HA ARG 669 HA ARG 669 -20.431 -10.516 -6.932 699 HB2 ARG 669 1HB ARG 669 -17.947 -10.839 -6.314 700 HB3 ARG 669 2HB ARG 669 -18.546 -11.672 -4.889 701 HG2 ARG 669 1HG ARG 669 -19.348 -12.511 -7.654 702 HG3 ARG 669 2HG ARG 669 -17.856 -13.072 -6.904 703 HD2 ARG 669 1HD ARG 669 -20.662 -13.472 -5.881 704 HD3 ARG 669 2HD ARG 669 -19.596 -14.702 -6.559 705 HE ARG 669 HE ARG 669 -18.149 -13.771 -4.481 706 HH11 ARG 669 1HH1 ARG 669 -21.449 -14.921 -4.775 707 HH12 ARG 669 2HH1 ARG 669 -21.543 -15.461 -3.130 708 HH21 ARG 669 1HH2 ARG 669 -18.266 -14.476 -2.307 709 HH22 ARG 669 2HH2 ARG 669 -19.733 -15.218 -1.725 710 H SER 670 H SER 670 -20.300 -10.107 -3.449 711 HA SER 670 HA SER 670 -22.453 -12.072 -3.122 712 HB2 SER 670 1HB SER 670 -20.415 -12.298 -1.696 713 HB3 SER 670 2HB SER 670 -20.772 -10.720 -0.995 714 HG SER 670 HG SER 670 -22.964 -11.889 -0.625 715 H ARG 671 H ARG 671 -22.244 -8.987 -3.860 716 HA ARG 671 HA ARG 671 -23.697 -7.357 -2.304 717 HB2 ARG 671 1HB ARG 671 -22.925 -6.842 -4.616 718 HB3 ARG 671 2HB ARG 671 -24.284 -7.763 -5.241 719 HG2 ARG 671 1HG ARG 671 -24.794 -5.419 -5.336 720 HG3 ARG 671 2HG ARG 671 -25.823 -6.187 -4.127 721 HD2 ARG 671 1HD ARG 671 -24.401 -5.373 -2.351 722 HD3 ARG 671 2HD ARG 671 -23.274 -4.696 -3.520 723 HE ARG 671 HE ARG 671 -25.718 -3.535 -4.059 724 HH11 ARG 671 1HH1 ARG 671 -23.529 -3.700 -1.333 725 HH12 ARG 671 2HH1 ARG 671 -23.971 -2.141 -0.718 726 HH21 ARG 671 1HH2 ARG 671 -26.302 -1.469 -3.260 727 HH22 ARG 671 2HH2 ARG 671 -25.540 -0.862 -1.825 728 H LEU 672 H LEU 672 -25.482 -7.589 -1.155 729 HA LEU 672 HA LEU 672 -27.270 -9.773 -1.584 730 HB2 LEU 672 1HB LEU 672 -27.420 -7.431 0.327 731 HB3 LEU 672 2HB LEU 672 -28.491 -8.818 0.379 732 HG LEU 672 HG LEU 672 -25.502 -8.889 0.826 733 HD11 LEU 672 1HD1 LEU 672 -27.798 -9.182 2.756 734 HD12 LEU 672 2HD1 LEU 672 -26.698 -7.808 2.652 735 HD13 LEU 672 3HD1 LEU 672 -26.090 -9.389 3.144 736 HD21 LEU 672 3HD2 LEU 672 -27.585 -11.063 1.004 737 HD22 LEU 672 1HD2 LEU 672 -25.908 -11.216 1.527 738 HD23 LEU 672 2HD2 LEU 672 -26.280 -10.954 -0.176 739 H1 ASP 840 1H ASP 840 -2.379 -5.825 10.671 740 HA ASP 840 HA ASP 840 -2.808 -6.417 13.518 741 HB2 ASP 840 1HB ASP 840 -4.916 -5.832 11.415 742 HB3 ASP 840 2HB ASP 840 -5.234 -6.247 13.098 743 H ALA 841 H ALA 841 -1.421 -8.266 12.227 744 HA ALA 841 HA ALA 841 -1.279 -10.440 11.636 745 HB1 ALA 841 3HB ALA 841 -2.164 -10.491 13.932 746 HB2 ALA 841 1HB ALA 841 -2.578 -11.921 12.984 747 HB3 ALA 841 2HB ALA 841 -3.787 -10.668 13.268 748 H GLY 842 H GLY 842 -1.591 -10.466 9.419 749 HA2 GLY 842 1HA GLY 842 -3.101 -12.050 8.127 750 HA3 GLY 842 2HA GLY 842 -4.321 -10.829 8.439 751 H ASN 843 H ASN 843 -2.716 -11.945 6.022 752 HA ASN 843 HA ASN 843 -1.263 -9.690 5.027 753 HB2 ASN 843 1HB ASN 843 -2.190 -12.236 3.681 754 HB3 ASN 843 2HB ASN 843 -1.171 -11.024 2.902 755 HD21 ASN 843 1HD2 ASN 843 0.633 -12.421 2.672 756 HD22 ASN 843 2HD2 ASN 843 1.544 -12.999 4.035 757 H ILE 844 H ILE 844 -4.493 -10.233 5.329 758 HA ILE 844 HA ILE 844 -5.279 -8.818 2.887 759 HB ILE 844 HB ILE 844 -7.185 -9.637 5.095 760 HG12 ILE 844 1HG1 ILE 844 -6.274 -11.297 2.722 761 HG13 ILE 844 2HG1 ILE 844 -5.959 -11.657 4.415 762 HG21 ILE 844 1HG2 ILE 844 -8.818 -9.626 3.266 763 HG22 ILE 844 2HG2 ILE 844 -7.547 -9.154 2.139 764 HG23 ILE 844 3HG2 ILE 844 -8.021 -8.061 3.439 765 HD11 ILE 844 3HD1 ILE 844 -7.749 -13.043 3.537 766 HD12 ILE 844 1HD1 ILE 844 -8.665 -11.602 3.093 767 HD13 ILE 844 2HD1 ILE 844 -8.358 -11.964 4.792 768 H LEU 845 H LEU 845 -6.147 -6.715 2.911 769 HA LEU 845 HA LEU 845 -5.291 -5.127 5.161 770 HB2 LEU 845 1HB LEU 845 -6.523 -4.370 2.512 771 HB3 LEU 845 2HB LEU 845 -6.078 -3.201 3.741 772 HG LEU 845 HG LEU 845 -3.720 -4.397 3.535 773 HD11 LEU 845 1HD1 LEU 845 -3.205 -5.094 1.293 774 HD12 LEU 845 2HD1 LEU 845 -4.859 -4.780 0.767 775 HD13 LEU 845 3HD1 LEU 845 -4.526 -6.078 1.918 776 HD21 LEU 845 3HD2 LEU 845 -3.038 -2.669 1.982 777 HD22 LEU 845 1HD2 LEU 845 -4.182 -2.020 3.155 778 HD23 LEU 845 2HD2 LEU 845 -4.715 -2.394 1.518 779 HA PRO 846 HA PRO 846 -8.809 -4.898 7.629 780 HB2 PRO 846 1HB PRO 846 -8.682 -1.931 7.437 781 HB3 PRO 846 2HB PRO 846 -8.714 -2.968 8.867 782 HG2 PRO 846 1HG PRO 846 -6.451 -1.821 8.084 783 HG3 PRO 846 2HG PRO 846 -6.459 -3.481 8.705 784 HD2 PRO 846 1HD PRO 846 -6.223 -2.507 5.895 785 HD3 PRO 846 2HD PRO 846 -5.443 -3.893 6.680 786 H SER 847 H SER 847 -10.874 -5.091 7.364 787 HA SER 847 HA SER 847 -12.287 -4.495 5.038 788 HB2 SER 847 1HB SER 847 -13.403 -4.990 7.804 789 HB3 SER 847 2HB SER 847 -14.250 -5.212 6.271 790 HG SER 847 HG SER 847 -12.121 -6.625 5.980 791 H ASP 848 H ASP 848 -11.936 -2.740 8.069 792 HA ASP 848 HA ASP 848 -14.055 -0.940 7.818 793 HB2 ASP 848 1HB ASP 848 -12.655 -1.288 9.867 794 HB3 ASP 848 2HB ASP 848 -11.390 -0.331 9.103 795 H ILE 849 H ILE 849 -10.692 -0.612 6.643 796 HA ILE 849 HA ILE 849 -11.027 1.994 5.588 797 HB ILE 849 HB ILE 849 -9.116 -0.060 4.443 798 HG12 ILE 849 1HG1 ILE 849 -8.893 0.034 6.921 799 HG13 ILE 849 2HG1 ILE 849 -7.472 0.655 6.091 800 HG21 ILE 849 1HG2 ILE 849 -7.756 1.930 3.943 801 HG22 ILE 849 2HG2 ILE 849 -9.021 2.956 4.620 802 HG23 ILE 849 3HG2 ILE 849 -9.341 2.006 3.168 803 HD11 ILE 849 3HD1 ILE 849 -9.646 2.333 7.336 804 HD12 ILE 849 1HD1 ILE 849 -8.184 2.936 6.553 805 HD13 ILE 849 2HD1 ILE 849 -8.065 1.998 8.041 806 H MET 850 H MET 850 -11.495 -1.227 4.252 807 HA MET 850 HA MET 850 -12.183 -0.569 1.630 808 HB2 MET 850 1HB MET 850 -13.215 -2.805 3.384 809 HB3 MET 850 2HB MET 850 -13.516 -2.699 1.656 810 HG2 MET 850 1HG MET 850 -10.798 -2.921 2.938 811 HG3 MET 850 2HG MET 850 -11.706 -4.258 2.241 812 HE1 MET 850 3HE MET 850 -8.996 -1.730 1.658 813 HE2 MET 850 1HE MET 850 -10.329 -0.627 1.327 814 HE3 MET 850 2HE MET 850 -9.245 -1.111 0.027 815 H ASP 851 H ASP 851 -14.152 -0.585 4.569 816 HA ASP 851 HA ASP 851 -16.658 -0.148 3.434 817 HB2 ASP 851 1HB ASP 851 -15.479 0.770 6.076 818 HB3 ASP 851 2HB ASP 851 -17.130 1.176 5.613 819 H PHE 852 H PHE 852 -14.059 2.144 4.105 820 HA PHE 852 HA PHE 852 -15.570 4.482 3.650 821 HB2 PHE 852 1HB PHE 852 -13.312 4.315 4.807 822 HB3 PHE 852 2HB PHE 852 -12.594 4.211 3.205 823 HD1 PHE 852 HD1 PHE 852 -15.195 6.344 4.833 824 HD2 PHE 852 HD2 PHE 852 -11.617 6.183 2.532 825 HE1 PHE 852 HE1 PHE 852 -15.157 8.801 4.723 826 HE2 PHE 852 HE2 PHE 852 -11.575 8.637 2.415 827 HZ PHE 852 HZ PHE 852 -13.345 9.951 3.513 828 H VAL 853 H VAL 853 -13.398 2.631 1.482 829 HA VAL 853 HA VAL 853 -13.871 4.304 -0.756 830 HB VAL 853 HB VAL 853 -11.888 2.919 -0.743 831 HG11 VAL 853 1HG1 VAL 853 -13.721 0.539 -0.969 832 HG12 VAL 853 2HG1 VAL 853 -12.753 0.962 0.440 833 HG13 VAL 853 3HG1 VAL 853 -11.961 0.506 -1.067 834 HG21 VAL 853 3HG2 VAL 853 -12.810 3.588 -2.901 835 HG22 VAL 853 1HG2 VAL 853 -13.772 2.113 -2.952 836 HG23 VAL 853 2HG2 VAL 853 -12.015 2.017 -3.011 837 H LEU 854 H LEU 854 -15.416 1.325 0.353 838 HA LEU 854 HA LEU 854 -17.075 0.894 -1.863 839 HB2 LEU 854 1HB LEU 854 -17.133 0.088 0.995 840 HB3 LEU 854 2HB LEU 854 -18.624 -0.071 0.093 841 HG LEU 854 HG LEU 854 -17.171 -2.141 0.267 842 HD11 LEU 854 1HD1 LEU 854 -17.849 -1.202 -2.517 843 HD12 LEU 854 2HD1 LEU 854 -18.979 -1.928 -1.374 844 HD13 LEU 854 3HD1 LEU 854 -17.626 -2.871 -1.994 845 HD21 LEU 854 3HD2 LEU 854 -15.498 -0.649 -1.745 846 HD22 LEU 854 1HD2 LEU 854 -15.320 -2.347 -1.304 847 HD23 LEU 854 2HD2 LEU 854 -15.007 -1.088 -0.109 848 H LYS 855 H LYS 855 -17.433 3.043 0.907 849 HA LYS 855 HA LYS 855 -20.252 3.472 0.415 850 HB2 LYS 855 1HB LYS 855 -19.349 3.568 2.691 851 HB3 LYS 855 2HB LYS 855 -18.364 4.952 2.253 852 HG2 LYS 855 1HG LYS 855 -20.321 6.323 1.955 853 HG3 LYS 855 2HG LYS 855 -21.400 4.948 2.213 854 HD2 LYS 855 1HD LYS 855 -21.415 6.014 4.268 855 HD3 LYS 855 2HD LYS 855 -20.210 4.751 4.501 856 HE2 LYS 855 1HE LYS 855 -19.562 7.602 3.766 857 HE3 LYS 855 2HE LYS 855 -19.577 6.988 5.414 858 HZ1 LYS 855 3HZ LYS 855 -17.363 6.910 4.733 859 HZ2 LYS 855 1HZ LYS 855 -17.740 6.265 3.215 860 HZ3 LYS 855 2HZ LYS 855 -17.894 5.314 4.605 861 H ASN 856 H ASN 856 -17.421 4.817 -0.942 862 HA ASN 856 HA ASN 856 -18.983 7.156 -1.838 863 HB2 ASN 856 1HB ASN 856 -17.190 8.601 -1.585 864 HB3 ASN 856 2HB ASN 856 -16.972 7.536 -0.205 865 HD21 ASN 856 1HD2 ASN 856 -15.255 6.092 -0.184 866 HD22 ASN 856 2HD2 ASN 856 -13.937 6.217 -1.299 867 H THR 857 H THR 857 -18.663 7.878 -3.956 868 HA THR 857 HA THR 857 -16.806 6.491 -5.689 869 HB THR 857 HB THR 857 -19.764 6.451 -6.338 870 HG1 THR 857 HG1 THR 857 -18.220 4.743 -4.902 871 HG21 THR 857 1HG2 THR 857 -18.310 6.652 -8.307 872 HG22 THR 857 2HG2 THR 857 -19.087 5.070 -8.244 873 HG23 THR 857 3HG2 THR 857 -17.395 5.241 -7.775 874 HA PRO 858 HA PRO 858 -17.046 10.963 -6.595 875 HB2 PRO 858 1HB PRO 858 -14.404 10.415 -7.783 876 HB3 PRO 858 2HB PRO 858 -14.855 11.586 -6.542 877 HG2 PRO 858 1HG PRO 858 -13.437 9.402 -5.933 878 HG3 PRO 858 2HG PRO 858 -14.670 10.040 -4.828 879 HD2 PRO 858 1HD PRO 858 -14.852 7.732 -6.737 880 HD3 PRO 858 2HD PRO 858 -15.416 7.848 -5.055 Start of MODEL 14 1 H1 GLY 586 1H GLY 586 31.476 -0.049 -3.696 2 HA2 GLY 586 1HA GLY 586 32.512 -1.478 -2.250 3 HA3 GLY 586 2HA GLY 586 33.888 -0.384 -2.319 4 H VAL 587 H VAL 587 30.658 -0.598 -0.893 5 HA VAL 587 HA VAL 587 31.692 0.779 1.490 6 HB VAL 587 HB VAL 587 29.318 1.253 2.046 7 HG11 VAL 587 1HG1 VAL 587 28.956 2.958 0.328 8 HG12 VAL 587 2HG1 VAL 587 30.175 2.190 -0.688 9 HG13 VAL 587 3HG1 VAL 587 30.639 2.912 0.852 10 HG21 VAL 587 3HG2 VAL 587 27.577 0.909 0.367 11 HG22 VAL 587 1HG2 VAL 587 28.281 -0.627 0.875 12 HG23 VAL 587 2HG2 VAL 587 28.736 0.084 -0.673 13 H ARG 588 H ARG 588 31.247 -0.087 3.569 14 HA ARG 588 HA ARG 588 31.006 -2.974 3.539 15 HB2 ARG 588 1HB ARG 588 31.671 -2.898 5.885 16 HB3 ARG 588 2HB ARG 588 32.770 -1.935 4.915 17 HG2 ARG 588 1HG ARG 588 32.473 -0.639 6.798 18 HG3 ARG 588 2HG ARG 588 31.319 0.066 5.675 19 HD2 ARG 588 1HD ARG 588 29.529 -1.274 6.713 20 HD3 ARG 588 2HD ARG 588 30.703 -1.903 7.869 21 HE ARG 588 HE ARG 588 30.876 0.830 8.074 22 HH11 ARG 588 1HH1 ARG 588 28.356 -1.568 8.470 23 HH12 ARG 588 2HH1 ARG 588 27.499 -0.653 9.670 24 HH21 ARG 588 1HH2 ARG 588 29.747 2.045 9.637 25 HH22 ARG 588 2HH2 ARG 588 28.280 1.417 10.318 26 H LYS 589 H LYS 589 29.017 -0.260 4.152 27 HA LYS 589 HA LYS 589 26.928 -2.070 5.171 28 HB2 LYS 589 1HB LYS 589 27.276 -0.427 6.852 29 HB3 LYS 589 2HB LYS 589 27.378 0.870 5.661 30 HG2 LYS 589 1HG LYS 589 24.987 0.581 5.183 31 HG3 LYS 589 2HG LYS 589 24.909 -0.706 6.384 32 HD2 LYS 589 1HD LYS 589 24.092 1.284 7.412 33 HD3 LYS 589 2HD LYS 589 25.687 0.957 8.089 34 HE2 LYS 589 1HE LYS 589 25.448 3.321 7.610 35 HE3 LYS 589 2HE LYS 589 26.661 2.606 6.550 36 HZ1 LYS 589 3HZ LYS 589 25.008 2.518 4.785 37 HZ2 LYS 589 1HZ LYS 589 25.196 4.101 5.344 38 HZ3 LYS 589 2HZ LYS 589 23.847 3.198 5.804 39 H GLY 590 H GLY 590 25.911 -2.719 3.398 40 HA2 GLY 590 1HA GLY 590 24.477 -0.819 1.827 41 HA3 GLY 590 2HA GLY 590 25.739 -1.660 0.940 42 H TRP 591 H TRP 591 22.997 -2.283 3.084 43 HA TRP 591 HA TRP 591 22.629 -4.948 1.969 44 HB2 TRP 591 1HB TRP 591 20.387 -4.113 3.552 45 HB3 TRP 591 2HB TRP 591 21.539 -5.391 3.892 46 HD1 TRP 591 HD1 TRP 591 23.276 -4.941 5.815 47 HE1 TRP 591 HE1 TRP 591 23.554 -3.032 7.535 48 HE3 TRP 591 HE3 TRP 591 20.188 -1.455 3.697 49 HZ2 TRP 591 HZ2 TRP 591 22.643 -0.388 7.896 50 HZ3 TRP 591 HZ3 TRP 591 19.953 0.733 4.788 51 HH2 TRP 591 HH2 TRP 591 21.154 1.254 6.846 52 H HIS 592 H HIS 592 20.786 -1.928 2.247 53 HA HIS 592 HA HIS 592 18.872 -2.923 0.272 54 HB2 HIS 592 1HB HIS 592 18.734 -0.756 2.351 55 HB3 HIS 592 2HB HIS 592 17.587 -0.807 1.017 56 HD1 HIS 592 HD1 HIS 592 18.096 -2.075 4.369 57 HD2 HIS 592 HD2 HIS 592 16.084 -3.345 0.960 58 HE1 HIS 592 HE1 HIS 592 16.476 -3.820 5.153 59 HE2 HIS 592 HE2 HIS 592 15.085 -4.348 3.128 60 H GLU 593 H GLU 593 21.689 -1.447 0.055 61 HA GLU 593 HA GLU 593 21.297 1.070 -0.997 62 HB2 GLU 593 1HB GLU 593 23.563 0.802 -1.979 63 HB3 GLU 593 2HB GLU 593 23.452 0.385 -0.281 64 HG2 GLU 593 1HG GLU 593 24.845 -1.239 -1.171 65 HG3 GLU 593 2HG GLU 593 23.290 -2.043 -1.064 66 H HIS 594 H HIS 594 21.120 -2.035 -2.678 67 HA HIS 594 HA HIS 594 20.907 -0.836 -5.250 68 HB2 HIS 594 1HB HIS 594 20.268 -3.092 -6.036 69 HB3 HIS 594 2HB HIS 594 21.738 -3.095 -5.065 70 HD1 HIS 594 HD1 HIS 594 18.557 -4.758 -5.405 71 HD2 HIS 594 HD2 HIS 594 21.234 -4.034 -2.314 72 HE1 HIS 594 HE1 HIS 594 17.956 -6.393 -3.589 73 HE2 HIS 594 HE2 HIS 594 19.765 -6.106 -1.858 74 H VAL 595 H VAL 595 18.945 -0.102 -3.037 75 HA VAL 595 HA VAL 595 16.643 -0.099 -4.872 76 HB VAL 595 HB VAL 595 16.494 -0.167 -1.853 77 HG11 VAL 595 1HG1 VAL 595 14.741 1.232 -2.599 78 HG12 VAL 595 2HG1 VAL 595 14.008 -0.343 -2.289 79 HG13 VAL 595 3HG1 VAL 595 14.353 0.162 -3.945 80 HG21 VAL 595 3HG2 VAL 595 15.596 -2.223 -3.868 81 HG22 VAL 595 1HG2 VAL 595 15.354 -2.307 -2.121 82 HG23 VAL 595 2HG2 VAL 595 16.985 -2.364 -2.791 83 H THR 596 H THR 596 16.041 1.921 -5.437 84 HA THR 596 HA THR 596 17.365 4.134 -4.122 85 HB THR 596 HB THR 596 17.437 4.177 -6.506 86 HG1 THR 596 HG1 THR 596 16.972 6.241 -6.639 87 HG21 THR 596 1HG2 THR 596 14.428 4.009 -6.465 88 HG22 THR 596 2HG2 THR 596 15.538 2.757 -7.011 89 HG23 THR 596 3HG2 THR 596 15.414 4.272 -7.902 90 H GLN 597 H GLN 597 16.148 6.127 -3.592 91 HA GLN 597 HA GLN 597 14.057 5.555 -1.776 92 HB2 GLN 597 1HB GLN 597 15.651 7.462 -1.565 93 HB3 GLN 597 2HB GLN 597 14.848 8.238 -2.923 94 HG2 GLN 597 1HG GLN 597 14.113 9.145 -0.782 95 HG3 GLN 597 2HG GLN 597 12.789 8.388 -1.666 96 HE21 GLN 597 1HE2 GLN 597 14.913 8.144 1.071 97 HE22 GLN 597 2HE2 GLN 597 14.028 6.925 1.902 98 H ASP 598 H ASP 598 14.154 6.856 -5.029 99 HA ASP 598 HA ASP 598 11.484 7.636 -5.314 100 HB2 ASP 598 1HB ASP 598 13.129 8.215 -7.004 101 HB3 ASP 598 2HB ASP 598 13.351 6.519 -7.416 102 H LEU 599 H LEU 599 12.983 4.465 -5.788 103 HA LEU 599 HA LEU 599 10.757 3.097 -6.765 104 HB2 LEU 599 1HB LEU 599 13.223 2.312 -6.516 105 HB3 LEU 599 2HB LEU 599 12.759 1.840 -4.891 106 HG LEU 599 HG LEU 599 11.009 0.369 -5.842 107 HD11 LEU 599 1HD1 LEU 599 10.582 1.504 -7.909 108 HD12 LEU 599 2HD1 LEU 599 11.124 -0.138 -8.259 109 HD13 LEU 599 3HD1 LEU 599 12.234 1.220 -8.452 110 HD21 LEU 599 3HD2 LEU 599 13.833 -0.092 -6.791 111 HD22 LEU 599 1HD2 LEU 599 12.569 -1.322 -6.775 112 HD23 LEU 599 2HD2 LEU 599 13.124 -0.610 -5.262 113 H ARG 600 H ARG 600 11.837 3.743 -3.490 114 HA ARG 600 HA ARG 600 9.985 2.075 -2.164 115 HB2 ARG 600 1HB ARG 600 11.387 4.539 -1.098 116 HB3 ARG 600 2HB ARG 600 10.669 3.251 -0.138 117 HG2 ARG 600 1HG ARG 600 12.313 1.685 -0.875 118 HG3 ARG 600 2HG ARG 600 12.947 2.821 -2.061 119 HD2 ARG 600 1HD ARG 600 13.393 4.335 -0.006 120 HD3 ARG 600 2HD ARG 600 13.231 2.838 0.916 121 HE ARG 600 HE ARG 600 15.073 2.815 -1.338 122 HH11 ARG 600 1HH1 ARG 600 14.647 3.042 2.122 123 HH12 ARG 600 2HH1 ARG 600 16.291 2.616 2.483 124 HH21 ARG 600 1HH2 ARG 600 17.256 2.301 -0.876 125 HH22 ARG 600 2HH2 ARG 600 17.779 2.230 0.780 126 H SER 601 H SER 601 9.998 5.585 -2.763 127 HA SER 601 HA SER 601 7.505 6.066 -1.526 128 HB2 SER 601 1HB SER 601 7.607 8.245 -2.808 129 HB3 SER 601 2HB SER 601 9.005 7.900 -1.789 130 HG SER 601 HG SER 601 9.949 8.426 -3.640 131 H HIS 602 H HIS 602 8.406 5.375 -4.869 132 HA HIS 602 HA HIS 602 5.963 6.042 -6.077 133 HB2 HIS 602 1HB HIS 602 8.302 5.457 -7.106 134 HB3 HIS 602 2HB HIS 602 7.671 3.814 -7.135 135 HD1 HIS 602 HD1 HIS 602 8.072 6.487 -9.326 136 HD2 HIS 602 HD2 HIS 602 4.850 4.015 -8.444 137 HE1 HIS 602 HE1 HIS 602 6.551 6.626 -11.315 138 HE2 HIS 602 HE2 HIS 602 4.524 5.279 -10.676 139 H LEU 603 H LEU 603 7.151 2.967 -4.794 140 HA LEU 603 HA LEU 603 4.996 1.380 -5.604 141 HB2 LEU 603 1HB LEU 603 6.803 1.001 -3.224 142 HB3 LEU 603 2HB LEU 603 5.735 -0.212 -3.893 143 HG LEU 603 HG LEU 603 8.060 1.035 -5.360 144 HD11 LEU 603 1HD1 LEU 603 8.805 -0.407 -3.549 145 HD12 LEU 603 2HD1 LEU 603 9.127 -1.143 -5.119 146 HD13 LEU 603 3HD1 LEU 603 7.770 -1.704 -4.143 147 HD21 LEU 603 3HD2 LEU 603 6.199 -1.212 -6.126 148 HD22 LEU 603 1HD2 LEU 603 7.645 -0.734 -7.016 149 HD23 LEU 603 2HD2 LEU 603 6.288 0.381 -6.877 150 H VAL 604 H VAL 604 5.395 3.402 -2.752 151 HA VAL 604 HA VAL 604 3.259 2.385 -1.225 152 HB VAL 604 HB VAL 604 4.434 5.172 -1.318 153 HG11 VAL 604 1HG1 VAL 604 3.337 5.542 0.842 154 HG12 VAL 604 2HG1 VAL 604 2.535 3.980 0.701 155 HG13 VAL 604 3HG1 VAL 604 2.160 5.269 -0.442 156 HG21 VAL 604 3HG2 VAL 604 4.820 2.905 0.628 157 HG22 VAL 604 1HG2 VAL 604 5.557 4.500 0.741 158 HG23 VAL 604 2HG2 VAL 604 5.983 3.427 -0.592 159 H HIS 605 H HIS 605 3.421 4.821 -3.768 160 HA HIS 605 HA HIS 605 0.760 5.746 -3.556 161 HB2 HIS 605 1HB HIS 605 2.666 5.741 -5.899 162 HB3 HIS 605 2HB HIS 605 1.072 6.489 -5.957 163 HD1 HIS 605 HD1 HIS 605 1.540 8.919 -5.964 164 HD2 HIS 605 HD2 HIS 605 3.804 6.910 -3.115 165 HE1 HIS 605 HE1 HIS 605 2.764 10.705 -4.688 166 HE2 HIS 605 HE2 HIS 605 3.977 9.476 -2.857 167 H LYS 606 H LYS 606 2.234 3.100 -5.357 168 HA LYS 606 HA LYS 606 0.067 2.364 -6.954 169 HB2 LYS 606 1HB LYS 606 2.181 0.621 -5.670 170 HB3 LYS 606 2HB LYS 606 1.091 0.091 -6.941 171 HG2 LYS 606 1HG LYS 606 3.078 2.335 -7.214 172 HG3 LYS 606 2HG LYS 606 3.340 0.678 -7.760 173 HD2 LYS 606 1HD LYS 606 1.364 0.889 -9.228 174 HD3 LYS 606 2HD LYS 606 1.201 2.573 -8.727 175 HE2 LYS 606 1HE LYS 606 3.408 3.067 -9.641 176 HE3 LYS 606 2HE LYS 606 3.601 1.380 -10.110 177 HZ1 LYS 606 3HZ LYS 606 2.920 2.742 -11.977 178 HZ2 LYS 606 1HZ LYS 606 1.531 3.236 -11.147 179 HZ3 LYS 606 2HZ LYS 606 1.714 1.617 -11.600 180 H LEU 607 H LEU 607 0.913 1.417 -3.655 181 HA LEU 607 HA LEU 607 -1.216 -0.393 -3.275 182 HB2 LEU 607 1HB LEU 607 0.941 -0.096 -1.916 183 HB3 LEU 607 2HB LEU 607 0.107 1.206 -1.094 184 HG LEU 607 HG LEU 607 -1.065 -1.564 -1.189 185 HD11 LEU 607 1HD1 LEU 607 0.883 -0.480 0.844 186 HD12 LEU 607 2HD1 LEU 607 1.201 -1.778 -0.309 187 HD13 LEU 607 3HD1 LEU 607 0.000 -2.003 0.964 188 HD21 LEU 607 3HD2 LEU 607 -2.504 0.283 -0.461 189 HD22 LEU 607 1HD2 LEU 607 -1.323 0.710 0.776 190 HD23 LEU 607 2HD2 LEU 607 -2.163 -0.839 0.857 191 H VAL 608 H VAL 608 -0.851 3.063 -2.484 192 HA VAL 608 HA VAL 608 -3.374 3.461 -1.337 193 HB VAL 608 HB VAL 608 -1.693 5.405 -2.935 194 HG11 VAL 608 1HG1 VAL 608 -4.012 6.156 -2.792 195 HG12 VAL 608 2HG1 VAL 608 -2.962 7.164 -1.799 196 HG13 VAL 608 3HG1 VAL 608 -3.980 5.943 -1.044 197 HG21 VAL 608 3HG2 VAL 608 -1.896 4.926 0.037 198 HG22 VAL 608 1HG2 VAL 608 -0.965 6.211 -0.731 199 HG23 VAL 608 2HG2 VAL 608 -0.523 4.524 -0.994 200 H GLN 609 H GLN 609 -2.320 3.824 -4.724 201 HA GLN 609 HA GLN 609 -4.764 4.648 -5.795 202 HB2 GLN 609 1HB GLN 609 -2.534 3.066 -7.076 203 HB3 GLN 609 2HB GLN 609 -3.895 3.735 -7.963 204 HG2 GLN 609 1HG GLN 609 -1.823 5.284 -6.423 205 HG3 GLN 609 2HG GLN 609 -1.967 5.167 -8.177 206 HE21 GLN 609 1HE2 GLN 609 -3.625 6.282 -9.226 207 HE22 GLN 609 2HE2 GLN 609 -4.502 7.554 -8.459 208 H ALA 610 H ALA 610 -3.513 1.406 -5.178 209 HA ALA 610 HA ALA 610 -5.505 -0.101 -6.396 210 HB1 ALA 610 3HB ALA 610 -4.033 -0.733 -3.842 211 HB2 ALA 610 1HB ALA 610 -3.438 -1.044 -5.473 212 HB3 ALA 610 2HB ALA 610 -4.870 -1.889 -4.880 213 H ILE 611 H ILE 611 -5.470 1.487 -3.219 214 HA ILE 611 HA ILE 611 -8.018 0.364 -2.489 215 HB ILE 611 HB ILE 611 -6.484 2.676 -1.175 216 HG12 ILE 611 1HG1 ILE 611 -6.660 -0.080 0.056 217 HG13 ILE 611 2HG1 ILE 611 -5.430 0.285 -1.164 218 HG21 ILE 611 1HG2 ILE 611 -7.879 2.490 0.734 219 HG22 ILE 611 2HG2 ILE 611 -8.715 1.086 0.082 220 HG23 ILE 611 3HG2 ILE 611 -8.922 2.669 -0.676 221 HD11 ILE 611 3HD1 ILE 611 -5.838 1.746 1.434 222 HD12 ILE 611 1HD1 ILE 611 -4.582 2.083 0.244 223 HD13 ILE 611 2HD1 ILE 611 -4.592 0.544 1.104 224 H PHE 612 H PHE 612 -6.893 3.385 -3.964 225 HA PHE 612 HA PHE 612 -9.581 4.180 -4.543 226 HB2 PHE 612 1HB PHE 612 -9.148 4.855 -2.099 227 HB3 PHE 612 2HB PHE 612 -8.020 6.035 -2.750 228 HD1 PHE 612 HD2 PHE 612 -11.372 4.981 -3.990 229 HD2 PHE 612 HD1 PHE 612 -8.974 8.093 -2.365 230 HE1 PHE 612 HE2 PHE 612 -13.223 6.572 -4.311 231 HE2 PHE 612 HE1 PHE 612 -10.821 9.683 -2.670 232 HZ PHE 612 HZ PHE 612 -12.946 8.926 -3.648 233 HA PRO 613 HA PRO 613 -6.496 5.521 -7.564 234 HB2 PRO 613 1HB PRO 613 -8.084 5.343 -9.755 235 HB3 PRO 613 2HB PRO 613 -7.374 3.920 -8.979 236 HG2 PRO 613 1HG PRO 613 -10.162 4.977 -8.854 237 HG3 PRO 613 2HG PRO 613 -9.595 3.301 -8.828 238 HD2 PRO 613 1HD PRO 613 -10.420 4.766 -6.596 239 HD3 PRO 613 2HD PRO 613 -9.420 3.291 -6.566 240 H THR 614 H THR 614 -9.724 6.928 -7.240 241 HA THR 614 HA THR 614 -9.079 9.181 -8.926 242 HB THR 614 HB THR 614 -11.388 9.983 -8.148 243 HG1 THR 614 HG1 THR 614 -12.349 8.800 -6.683 244 HG21 THR 614 1HG2 THR 614 -11.002 8.930 -10.317 245 HG22 THR 614 2HG2 THR 614 -12.534 8.392 -9.632 246 HG23 THR 614 3HG2 THR 614 -11.125 7.332 -9.580 247 HA PRO 615 HA PRO 615 -7.541 11.425 -5.309 248 HB2 PRO 615 1HB PRO 615 -6.408 13.326 -7.172 249 HB3 PRO 615 2HB PRO 615 -5.569 12.134 -6.165 250 HG2 PRO 615 1HG PRO 615 -5.661 11.963 -8.896 251 HG3 PRO 615 2HG PRO 615 -5.512 10.541 -7.835 252 HD2 PRO 615 1HD PRO 615 -7.975 11.690 -9.148 253 HD3 PRO 615 2HD PRO 615 -7.455 9.989 -9.053 254 H ASP 616 H ASP 616 -9.805 12.024 -4.937 255 HA ASP 616 HA ASP 616 -10.936 14.366 -6.121 256 HB2 ASP 616 1HB ASP 616 -12.386 12.704 -5.011 257 HB3 ASP 616 2HB ASP 616 -11.565 12.997 -3.480 258 HA PRO 617 HA PRO 617 -8.361 17.404 -4.205 259 HB2 PRO 617 1HB PRO 617 -10.172 19.525 -4.416 260 HB3 PRO 617 2HB PRO 617 -9.047 19.001 -5.678 261 HG2 PRO 617 1HG PRO 617 -11.945 18.374 -5.326 262 HG3 PRO 617 2HG PRO 617 -11.036 18.715 -6.814 263 HD2 PRO 617 1HD PRO 617 -11.724 16.213 -6.158 264 HD3 PRO 617 2HD PRO 617 -10.157 16.562 -6.934 265 H ALA 618 H ALA 618 -11.640 16.792 -3.026 266 HA ALA 618 HA ALA 618 -11.147 18.367 -0.625 267 HB1 ALA 618 3HB ALA 618 -13.448 17.797 -0.024 268 HB2 ALA 618 1HB ALA 618 -13.554 16.728 -1.423 269 HB3 ALA 618 2HB ALA 618 -13.365 18.467 -1.653 270 H ALA 619 H ALA 619 -12.009 15.008 -1.431 271 HA ALA 619 HA ALA 619 -11.576 13.815 1.016 272 HB1 ALA 619 3HB ALA 619 -10.929 12.600 -1.665 273 HB2 ALA 619 1HB ALA 619 -12.546 12.704 -0.969 274 HB3 ALA 619 2HB ALA 619 -11.304 11.733 -0.179 275 H LEU 620 H LEU 620 -9.259 15.030 -1.218 276 HA LEU 620 HA LEU 620 -6.986 13.532 -0.427 277 HB2 LEU 620 1HB LEU 620 -7.529 15.461 -2.322 278 HB3 LEU 620 2HB LEU 620 -6.472 16.304 -1.208 279 HG LEU 620 HG LEU 620 -5.191 15.356 -3.044 280 HD11 LEU 620 1HD1 LEU 620 -3.538 14.079 -1.801 281 HD12 LEU 620 2HD1 LEU 620 -4.693 13.838 -0.490 282 HD13 LEU 620 3HD1 LEU 620 -4.107 15.459 -0.862 283 HD21 LEU 620 3HD2 LEU 620 -6.706 13.529 -3.619 284 HD22 LEU 620 1HD2 LEU 620 -6.243 12.678 -2.145 285 HD23 LEU 620 2HD2 LEU 620 -5.050 12.957 -3.413 286 H LYS 621 H LYS 621 -8.665 16.243 0.939 287 HA LYS 621 HA LYS 621 -6.547 16.631 2.948 288 HB2 LYS 621 1HB LYS 621 -8.940 18.354 2.230 289 HB3 LYS 621 2HB LYS 621 -7.804 18.709 3.525 290 HG2 LYS 621 1HG LYS 621 -6.008 18.961 1.944 291 HG3 LYS 621 2HG LYS 621 -7.062 18.471 0.620 292 HD2 LYS 621 1HD LYS 621 -6.810 20.880 0.631 293 HD3 LYS 621 2HD LYS 621 -8.469 20.447 1.030 294 HE2 LYS 621 1HE LYS 621 -6.498 20.907 3.226 295 HE3 LYS 621 2HE LYS 621 -7.198 22.290 2.391 296 HZ1 LYS 621 3HZ LYS 621 -8.742 20.154 3.763 297 HZ2 LYS 621 1HZ LYS 621 -9.398 21.505 2.990 298 HZ3 LYS 621 2HZ LYS 621 -8.450 21.698 4.375 299 H ASP 622 H ASP 622 -8.774 14.489 2.756 300 HA ASP 622 HA ASP 622 -10.167 15.071 5.275 301 HB2 ASP 622 1HB ASP 622 -11.601 14.436 3.373 302 HB3 ASP 622 2HB ASP 622 -10.738 12.906 3.215 303 H ARG 623 H ARG 623 -9.890 13.882 7.072 304 HA ARG 623 HA ARG 623 -7.430 12.696 7.525 305 HB2 ARG 623 1HB ARG 623 -9.966 12.415 9.140 306 HB3 ARG 623 2HB ARG 623 -8.360 11.989 9.706 307 HG2 ARG 623 1HG ARG 623 -9.425 14.746 9.093 308 HG3 ARG 623 2HG ARG 623 -8.892 14.094 10.636 309 HD2 ARG 623 1HD ARG 623 -6.612 13.997 9.856 310 HD3 ARG 623 2HD ARG 623 -7.108 14.522 8.248 311 HE ARG 623 HE ARG 623 -7.829 16.358 10.341 312 HH11 ARG 623 1HH1 ARG 623 -5.307 15.403 8.096 313 HH12 ARG 623 2HH1 ARG 623 -4.534 16.963 8.121 314 HH21 ARG 623 1HH2 ARG 623 -6.811 18.399 10.362 315 HH22 ARG 623 2HH2 ARG 623 -5.399 18.665 9.390 316 H ARG 624 H ARG 624 -10.515 11.115 6.752 317 HA ARG 624 HA ARG 624 -9.801 8.488 7.370 318 HB2 ARG 624 1HB ARG 624 -12.090 9.165 6.971 319 HB3 ARG 624 2HB ARG 624 -11.713 9.609 5.318 320 HG2 ARG 624 1HG ARG 624 -11.460 7.344 4.675 321 HG3 ARG 624 2HG ARG 624 -11.488 6.800 6.356 322 HD2 ARG 624 1HD ARG 624 -13.781 8.130 4.906 323 HD3 ARG 624 2HD ARG 624 -13.636 6.399 5.226 324 HE ARG 624 HE ARG 624 -13.419 7.434 7.688 325 HH11 ARG 624 1HH1 ARG 624 -15.765 8.026 5.139 326 HH12 ARG 624 2HH1 ARG 624 -17.045 8.403 6.252 327 HH21 ARG 624 1HH2 ARG 624 -15.096 7.935 9.131 328 HH22 ARG 624 2HH2 ARG 624 -16.663 8.352 8.518 329 H MET 625 H MET 625 -9.447 10.348 4.379 330 HA MET 625 HA MET 625 -8.261 8.325 2.833 331 HB2 MET 625 1HB MET 625 -8.838 10.022 1.441 332 HB3 MET 625 2HB MET 625 -8.526 11.262 2.639 333 HG2 MET 625 1HG MET 625 -6.979 11.647 0.925 334 HG3 MET 625 2HG MET 625 -6.049 10.886 2.217 335 HE1 MET 625 3HE MET 625 -7.614 10.572 -1.303 336 HE2 MET 625 1HE MET 625 -8.484 9.259 -0.509 337 HE3 MET 625 2HE MET 625 -7.287 8.899 -1.754 338 H GLU 626 H GLU 626 -6.867 10.671 5.083 339 HA GLU 626 HA GLU 626 -4.172 10.169 4.423 340 HB2 GLU 626 1HB GLU 626 -5.365 11.176 7.005 341 HB3 GLU 626 2HB GLU 626 -3.653 11.207 6.606 342 HG2 GLU 626 1HG GLU 626 -4.237 12.616 4.622 343 HG3 GLU 626 2HG GLU 626 -5.875 12.720 5.267 344 H ASN 627 H ASN 627 -6.378 8.697 6.741 345 HA ASN 627 HA ASN 627 -4.523 7.127 8.136 346 HB2 ASN 627 1HB ASN 627 -7.459 6.806 7.588 347 HB3 ASN 627 2HB ASN 627 -6.560 5.547 8.427 348 HD21 ASN 627 1HD2 ASN 627 -5.743 8.914 8.814 349 HD22 ASN 627 2HD2 ASN 627 -6.324 9.070 10.434 350 H LEU 628 H LEU 628 -6.311 6.474 5.143 351 HA LEU 628 HA LEU 628 -5.301 3.802 4.889 352 HB2 LEU 628 1HB LEU 628 -6.476 3.641 2.897 353 HB3 LEU 628 2HB LEU 628 -7.428 4.827 3.763 354 HG LEU 628 HG LEU 628 -6.036 6.559 2.365 355 HD11 LEU 628 1HD1 LEU 628 -5.794 4.070 0.683 356 HD12 LEU 628 2HD1 LEU 628 -4.465 4.997 1.381 357 HD13 LEU 628 3HD1 LEU 628 -5.484 5.716 0.134 358 HD21 LEU 628 3HD2 LEU 628 -8.483 6.056 2.266 359 HD22 LEU 628 1HD2 LEU 628 -8.126 4.859 1.022 360 HD23 LEU 628 2HD2 LEU 628 -7.775 6.564 0.731 361 H VAL 629 H VAL 629 -4.216 6.970 3.760 362 HA VAL 629 HA VAL 629 -2.136 6.016 2.068 363 HB VAL 629 HB VAL 629 -2.371 8.642 3.555 364 HG11 VAL 629 1HG1 VAL 629 -0.488 7.814 1.350 365 HG12 VAL 629 2HG1 VAL 629 -0.046 8.242 3.005 366 HG13 VAL 629 3HG1 VAL 629 -0.705 9.469 1.921 367 HG21 VAL 629 3HG2 VAL 629 -2.997 7.910 0.697 368 HG22 VAL 629 1HG2 VAL 629 -3.061 9.537 1.375 369 HG23 VAL 629 2HG2 VAL 629 -4.168 8.294 1.959 370 H ALA 630 H ALA 630 -2.281 7.024 5.449 371 HA ALA 630 HA ALA 630 0.371 6.601 6.151 372 HB1 ALA 630 3HB ALA 630 -0.444 6.446 8.456 373 HB2 ALA 630 1HB ALA 630 -2.096 6.294 7.855 374 HB3 ALA 630 2HB ALA 630 -1.190 7.780 7.579 375 H TYR 631 H TYR 631 -2.338 4.321 6.002 376 HA TYR 631 HA TYR 631 -1.089 2.119 7.183 377 HB2 TYR 631 1HB TYR 631 -3.455 2.019 6.722 378 HB3 TYR 631 2HB TYR 631 -3.177 2.221 4.996 379 HD1 TYR 631 HD1 TYR 631 -2.128 -0.090 7.754 380 HD2 TYR 631 HD2 TYR 631 -3.354 0.329 3.702 381 HE1 TYR 631 HE1 TYR 631 -2.041 -2.533 7.477 382 HE2 TYR 631 HE2 TYR 631 -3.267 -2.094 3.421 383 HH TYR 631 HH TYR 631 -2.867 -4.265 6.077 384 H ALA 632 H ALA 632 -0.980 3.273 3.824 385 HA ALA 632 HA ALA 632 0.543 1.129 2.788 386 HB1 ALA 632 3HB ALA 632 -0.696 2.728 1.374 387 HB2 ALA 632 1HB ALA 632 0.993 2.578 0.892 388 HB3 ALA 632 2HB ALA 632 0.459 3.986 1.810 389 H LYS 633 H LYS 633 1.534 4.341 4.007 390 HA LYS 633 HA LYS 633 4.226 4.204 4.000 391 HB2 LYS 633 1HB LYS 633 2.437 5.066 6.252 392 HB3 LYS 633 2HB LYS 633 4.095 5.570 6.048 393 HG2 LYS 633 1HG LYS 633 1.756 6.219 4.264 394 HG3 LYS 633 2HG LYS 633 2.586 7.324 5.361 395 HD2 LYS 633 1HD LYS 633 4.638 7.065 4.022 396 HD3 LYS 633 2HD LYS 633 3.757 5.995 2.926 397 HE2 LYS 633 1HE LYS 633 2.650 8.708 3.467 398 HE3 LYS 633 2HE LYS 633 4.045 8.563 2.390 399 HZ1 LYS 633 3HZ LYS 633 1.835 8.517 1.288 400 HZ2 LYS 633 1HZ LYS 633 1.531 7.033 2.038 401 HZ3 LYS 633 2HZ LYS 633 2.810 7.186 0.939 402 H LYS 634 H LYS 634 2.158 3.003 6.628 403 HA LYS 634 HA LYS 634 4.102 1.778 8.179 404 HB2 LYS 634 1HB LYS 634 1.182 1.356 7.828 405 HB3 LYS 634 2HB LYS 634 2.081 0.079 8.632 406 HG2 LYS 634 1HG LYS 634 1.197 1.516 10.304 407 HG3 LYS 634 2HG LYS 634 2.938 1.784 10.234 408 HD2 LYS 634 1HD LYS 634 2.571 3.795 8.891 409 HD3 LYS 634 2HD LYS 634 0.829 3.520 8.954 410 HE2 LYS 634 1HE LYS 634 0.933 3.695 11.419 411 HE3 LYS 634 2HE LYS 634 2.649 4.078 11.295 412 HZ1 LYS 634 3HZ LYS 634 2.079 6.042 10.005 413 HZ2 LYS 634 1HZ LYS 634 1.314 6.073 11.515 414 HZ3 LYS 634 2HZ LYS 634 0.431 5.673 10.132 415 H VAL 635 H VAL 635 2.211 0.381 5.538 416 HA VAL 635 HA VAL 635 3.255 -2.162 5.471 417 HB VAL 635 HB VAL 635 2.264 -0.386 3.258 418 HG11 VAL 635 1HG1 VAL 635 3.934 -1.809 2.212 419 HG12 VAL 635 2HG1 VAL 635 2.315 -2.331 1.749 420 HG13 VAL 635 3HG1 VAL 635 3.218 -3.234 2.964 421 HG21 VAL 635 3HG2 VAL 635 0.454 -2.080 3.216 422 HG22 VAL 635 1HG2 VAL 635 0.591 -1.248 4.764 423 HG23 VAL 635 2HG2 VAL 635 1.224 -2.882 4.583 424 H GLU 636 H GLU 636 4.586 0.704 3.794 425 HA GLU 636 HA GLU 636 6.692 -0.610 2.518 426 HB2 GLU 636 1HB GLU 636 7.529 1.460 1.951 427 HB3 GLU 636 2HB GLU 636 5.884 1.905 2.378 428 HG2 GLU 636 1HG GLU 636 6.635 2.636 4.577 429 HG3 GLU 636 2HG GLU 636 8.277 2.134 4.192 430 H GLY 637 H GLY 637 6.537 0.747 5.778 431 HA2 GLY 637 1HA GLY 637 9.237 0.308 6.470 432 HA3 GLY 637 2HA GLY 637 7.911 0.465 7.612 433 H ASP 638 H ASP 638 6.359 -1.708 7.051 434 HA ASP 638 HA ASP 638 7.720 -3.787 8.368 435 HB2 ASP 638 1HB ASP 638 5.268 -3.460 8.430 436 HB3 ASP 638 2HB ASP 638 5.174 -3.945 6.740 437 H MET 639 H MET 639 6.803 -3.373 4.980 438 HA MET 639 HA MET 639 7.831 -5.819 4.017 439 HB2 MET 639 1HB MET 639 7.649 -3.197 2.491 440 HB3 MET 639 2HB MET 639 7.824 -4.797 1.781 441 HG2 MET 639 1HG MET 639 5.444 -3.801 3.344 442 HG3 MET 639 2HG MET 639 5.523 -3.954 1.584 443 HE1 MET 639 3HE MET 639 3.098 -6.855 2.272 444 HE2 MET 639 1HE MET 639 3.501 -5.494 1.224 445 HE3 MET 639 2HE MET 639 3.101 -5.216 2.922 446 H TYR 640 H TYR 640 9.293 -2.734 4.623 447 HA TYR 640 HA TYR 640 11.537 -2.780 3.083 448 HB2 TYR 640 1HB TYR 640 10.807 -0.894 4.569 449 HB3 TYR 640 2HB TYR 640 11.537 -1.749 5.923 450 HD1 TYR 640 HD2 TYR 640 12.818 -1.318 2.442 451 HD2 TYR 640 HD1 TYR 640 13.323 -0.372 6.567 452 HE1 TYR 640 HE2 TYR 640 14.969 -0.259 1.936 453 HE2 TYR 640 HE1 TYR 640 15.471 0.688 6.059 454 HH TYR 640 HH TYR 640 17.186 0.664 4.392 455 H GLU 641 H GLU 641 11.135 -4.583 6.112 456 HA GLU 641 HA GLU 641 13.919 -5.276 6.330 457 HB2 GLU 641 1HB GLU 641 11.415 -6.348 7.563 458 HB3 GLU 641 2HB GLU 641 12.897 -7.306 7.682 459 HG2 GLU 641 1HG GLU 641 12.743 -5.972 9.693 460 HG3 GLU 641 2HG GLU 641 13.997 -5.219 8.696 461 H SER 642 H SER 642 11.083 -7.026 5.136 462 HA SER 642 HA SER 642 12.454 -9.260 4.108 463 HB2 SER 642 1HB SER 642 9.827 -8.108 3.154 464 HB3 SER 642 2HB SER 642 10.375 -9.776 2.987 465 HG SER 642 HG SER 642 8.900 -9.390 4.766 466 H ALA 643 H ALA 643 11.515 -6.198 2.718 467 HA ALA 643 HA ALA 643 12.072 -6.472 0.045 468 HB1 ALA 643 3HB ALA 643 12.535 -4.018 1.711 469 HB2 ALA 643 1HB ALA 643 10.971 -4.554 1.097 470 HB3 ALA 643 2HB ALA 643 12.245 -4.078 -0.026 471 H ASN 644 H ASN 644 14.308 -7.624 1.728 472 HA ASN 644 HA ASN 644 16.570 -5.941 0.992 473 HB2 ASN 644 1HB ASN 644 16.340 -7.332 3.192 474 HB3 ASN 644 2HB ASN 644 16.882 -8.696 2.221 475 HD21 ASN 644 1HD2 ASN 644 19.078 -8.260 0.992 476 HD22 ASN 644 2HD2 ASN 644 20.248 -7.295 1.835 477 H SER 645 H SER 645 14.643 -7.454 -0.866 478 HA SER 645 HA SER 645 16.706 -8.001 -2.790 479 HB2 SER 645 1HB SER 645 15.764 -10.211 -3.439 480 HB3 SER 645 2HB SER 645 16.464 -10.228 -1.821 481 HG SER 645 HG SER 645 14.586 -11.037 -1.313 482 H ARG 646 H ARG 646 15.939 -7.752 -4.908 483 HA ARG 646 HA ARG 646 13.807 -5.989 -5.281 484 HB2 ARG 646 1HB ARG 646 15.190 -7.822 -7.243 485 HB3 ARG 646 2HB ARG 646 14.000 -6.622 -7.723 486 HG2 ARG 646 1HG ARG 646 16.529 -5.950 -6.240 487 HG3 ARG 646 2HG ARG 646 16.392 -5.940 -7.999 488 HD2 ARG 646 1HD ARG 646 14.744 -4.280 -6.092 489 HD3 ARG 646 2HD ARG 646 16.106 -3.694 -7.043 490 HE ARG 646 HE ARG 646 13.728 -4.824 -8.365 491 HH11 ARG 646 1HH1 ARG 646 15.953 -2.157 -7.882 492 HH12 ARG 646 2HH1 ARG 646 15.266 -1.196 -9.148 493 HH21 ARG 646 1HH2 ARG 646 12.824 -3.559 -10.020 494 HH22 ARG 646 2HH2 ARG 646 13.474 -1.986 -10.359 495 H ASP 647 H ASP 647 13.941 -9.483 -5.809 496 HA ASP 647 HA ASP 647 11.389 -9.781 -6.911 497 HB2 ASP 647 1HB ASP 647 13.100 -11.530 -7.046 498 HB3 ASP 647 2HB ASP 647 12.985 -11.791 -5.307 499 H GLU 648 H GLU 648 12.462 -10.064 -3.540 500 HA GLU 648 HA GLU 648 9.967 -10.895 -2.518 501 HB2 GLU 648 1HB GLU 648 12.170 -11.090 -1.327 502 HB3 GLU 648 2HB GLU 648 12.095 -9.359 -1.010 503 HG2 GLU 648 1HG GLU 648 11.347 -10.537 0.933 504 HG3 GLU 648 2HG GLU 648 9.961 -9.725 0.208 505 H TYR 649 H TYR 649 11.450 -7.687 -2.818 506 HA TYR 649 HA TYR 649 9.569 -6.265 -1.343 507 HB2 TYR 649 1HB TYR 649 11.827 -5.477 -2.314 508 HB3 TYR 649 2HB TYR 649 10.920 -5.108 -3.775 509 HD1 TYR 649 HD2 TYR 649 8.819 -4.587 -0.982 510 HD2 TYR 649 HD1 TYR 649 12.047 -2.816 -3.118 511 HE1 TYR 649 HE2 TYR 649 8.238 -2.398 -0.036 512 HE2 TYR 649 HE1 TYR 649 11.475 -0.622 -2.170 513 HH TYR 649 HH TYR 649 9.411 0.493 -1.220 514 H TYR 650 H TYR 650 9.623 -6.848 -4.891 515 HA TYR 650 HA TYR 650 7.227 -5.528 -5.423 516 HB2 TYR 650 1HB TYR 650 8.953 -7.503 -6.847 517 HB3 TYR 650 2HB TYR 650 7.381 -7.093 -7.493 518 HD1 TYR 650 HD2 TYR 650 10.720 -5.784 -6.711 519 HD2 TYR 650 HD1 TYR 650 6.941 -4.955 -8.474 520 HE1 TYR 650 HE2 TYR 650 11.659 -3.771 -7.771 521 HE2 TYR 650 HE1 TYR 650 7.866 -2.947 -9.538 522 HH TYR 650 HH TYR 650 9.715 -1.383 -9.234 523 H HIS 651 H HIS 651 7.925 -8.838 -4.417 524 HA HIS 651 HA HIS 651 5.474 -9.986 -5.307 525 HB2 HIS 651 1HB HIS 651 7.592 -11.246 -4.790 526 HB3 HIS 651 2HB HIS 651 7.277 -10.963 -3.083 527 HD1 HIS 651 HD1 HIS 651 6.940 -13.521 -5.457 528 HD2 HIS 651 HD2 HIS 651 4.426 -12.018 -2.508 529 HE1 HIS 651 HE1 HIS 651 5.270 -15.343 -4.996 530 HE2 HIS 651 HE2 HIS 651 3.693 -14.370 -3.288 531 H LEU 652 H LEU 652 6.618 -8.765 -2.193 532 HA LEU 652 HA LEU 652 4.402 -9.480 -0.643 533 HB2 LEU 652 1HB LEU 652 6.318 -7.175 -0.336 534 HB3 LEU 652 2HB LEU 652 5.201 -7.709 0.904 535 HG LEU 652 HG LEU 652 7.373 -9.461 -0.244 536 HD11 LEU 652 1HD1 LEU 652 7.366 -7.822 2.286 537 HD12 LEU 652 2HD1 LEU 652 8.367 -7.534 0.862 538 HD13 LEU 652 3HD1 LEU 652 8.596 -8.997 1.820 539 HD21 LEU 652 3HD2 LEU 652 5.490 -10.654 0.753 540 HD22 LEU 652 1HD2 LEU 652 5.662 -9.705 2.227 541 HD23 LEU 652 2HD2 LEU 652 6.940 -10.817 1.740 542 H LEU 653 H LEU 653 5.141 -6.396 -2.237 543 HA LEU 653 HA LEU 653 2.775 -5.086 -1.473 544 HB2 LEU 653 1HB LEU 653 4.686 -4.647 -3.760 545 HB3 LEU 653 2HB LEU 653 3.303 -3.605 -3.483 546 HG LEU 653 HG LEU 653 5.102 -4.022 -1.165 547 HD11 LEU 653 1HD1 LEU 653 5.910 -2.563 -3.659 548 HD12 LEU 653 2HD1 LEU 653 6.811 -3.783 -2.760 549 HD13 LEU 653 3HD1 LEU 653 6.577 -2.178 -2.075 550 HD21 LEU 653 3HD2 LEU 653 4.632 -1.659 -0.826 551 HD22 LEU 653 1HD2 LEU 653 3.133 -2.557 -1.069 552 HD23 LEU 653 2HD2 LEU 653 3.803 -1.583 -2.380 553 H ALA 654 H ALA 654 3.601 -6.917 -4.408 554 HA ALA 654 HA ALA 654 1.244 -6.500 -5.841 555 HB1 ALA 654 3HB ALA 654 1.829 -8.527 -7.078 556 HB2 ALA 654 1HB ALA 654 3.013 -8.942 -5.840 557 HB3 ALA 654 2HB ALA 654 3.238 -7.496 -6.825 558 H GLU 655 H GLU 655 2.050 -9.064 -3.537 559 HA GLU 655 HA GLU 655 -0.297 -10.561 -3.757 560 HB2 GLU 655 1HB GLU 655 1.376 -11.631 -2.509 561 HB3 GLU 655 2HB GLU 655 1.650 -10.210 -1.496 562 HG2 GLU 655 1HG GLU 655 -0.334 -10.627 -0.261 563 HG3 GLU 655 2HG GLU 655 -0.868 -11.851 -1.412 564 H LYS 656 H LYS 656 0.393 -7.791 -1.650 565 HA LYS 656 HA LYS 656 -2.082 -7.742 -0.336 566 HB2 LYS 656 1HB LYS 656 0.072 -5.750 -0.798 567 HB3 LYS 656 2HB LYS 656 -1.495 -5.146 -0.279 568 HG2 LYS 656 1HG LYS 656 -1.382 -6.734 1.645 569 HG3 LYS 656 2HG LYS 656 0.272 -7.111 1.157 570 HD2 LYS 656 1HD LYS 656 0.907 -4.779 1.438 571 HD3 LYS 656 2HD LYS 656 -0.753 -4.362 1.864 572 HE2 LYS 656 1HE LYS 656 0.933 -6.323 3.405 573 HE3 LYS 656 2HE LYS 656 0.819 -4.613 3.801 574 HZ1 LYS 656 3HZ LYS 656 -1.483 -4.841 4.282 575 HZ2 LYS 656 1HZ LYS 656 -0.676 -6.088 5.097 576 HZ3 LYS 656 2HZ LYS 656 -1.526 -6.421 3.674 577 H ILE 657 H ILE 657 -1.092 -6.320 -3.438 578 HA ILE 657 HA ILE 657 -3.397 -4.729 -3.775 579 HB ILE 657 HB ILE 657 -1.739 -5.937 -6.013 580 HG12 ILE 657 1HG1 ILE 657 -1.324 -3.360 -4.465 581 HG13 ILE 657 2HG1 ILE 657 -0.287 -4.780 -4.393 582 HG21 ILE 657 1HG2 ILE 657 -3.895 -4.886 -6.648 583 HG22 ILE 657 2HG2 ILE 657 -2.497 -4.028 -7.293 584 HG23 ILE 657 3HG2 ILE 657 -3.356 -3.383 -5.894 585 HD11 ILE 657 3HD1 ILE 657 0.266 -4.469 -6.765 586 HD12 ILE 657 1HD1 ILE 657 0.704 -3.073 -5.782 587 HD13 ILE 657 2HD1 ILE 657 -0.739 -3.021 -6.792 588 H TYR 658 H TYR 658 -2.626 -8.065 -4.715 589 HA TYR 658 HA TYR 658 -5.059 -8.619 -6.000 590 HB2 TYR 658 1HB TYR 658 -3.306 -10.620 -4.535 591 HB3 TYR 658 2HB TYR 658 -4.505 -10.946 -5.755 592 HD1 TYR 658 HD1 TYR 658 -3.843 -8.733 -7.713 593 HD2 TYR 658 HD2 TYR 658 -1.361 -11.501 -5.615 594 HE1 TYR 658 HE1 TYR 658 -2.151 -8.561 -9.480 595 HE2 TYR 658 HE2 TYR 658 0.329 -11.318 -7.379 596 HH TYR 658 HH TYR 658 0.430 -10.724 -9.773 597 H LYS 659 H LYS 659 -4.110 -8.867 -2.580 598 HA LYS 659 HA LYS 659 -6.420 -10.114 -1.603 599 HB2 LYS 659 1HB LYS 659 -4.674 -8.034 -0.263 600 HB3 LYS 659 2HB LYS 659 -5.860 -9.032 0.565 601 HG2 LYS 659 1HG LYS 659 -3.487 -10.125 -0.926 602 HG3 LYS 659 2HG LYS 659 -3.508 -9.798 0.808 603 HD2 LYS 659 1HD LYS 659 -5.381 -11.371 1.062 604 HD3 LYS 659 2HD LYS 659 -5.314 -11.711 -0.669 605 HE2 LYS 659 1HE LYS 659 -3.061 -12.583 -0.434 606 HE3 LYS 659 2HE LYS 659 -3.064 -12.181 1.282 607 HZ1 LYS 659 3HZ LYS 659 -3.542 -14.548 0.778 608 HZ2 LYS 659 1HZ LYS 659 -4.979 -14.070 0.029 609 HZ3 LYS 659 2HZ LYS 659 -4.754 -13.791 1.682 610 H ILE 660 H ILE 660 -5.661 -6.741 -2.182 611 HA ILE 660 HA ILE 660 -7.987 -5.515 -1.259 612 HB ILE 660 HB ILE 660 -5.733 -4.810 -2.907 613 HG12 ILE 660 1HG1 ILE 660 -7.618 -3.089 -1.323 614 HG13 ILE 660 2HG1 ILE 660 -6.243 -3.956 -0.659 615 HG21 ILE 660 1HG2 ILE 660 -7.171 -4.439 -4.771 616 HG22 ILE 660 2HG2 ILE 660 -6.843 -2.860 -4.064 617 HG23 ILE 660 3HG2 ILE 660 -8.384 -3.659 -3.759 618 HD11 ILE 660 3HD1 ILE 660 -4.749 -2.665 -2.105 619 HD12 ILE 660 1HD1 ILE 660 -5.686 -1.643 -1.018 620 HD13 ILE 660 2HD1 ILE 660 -6.142 -1.771 -2.715 621 H GLN 661 H GLN 661 -7.401 -7.273 -4.238 622 HA GLN 661 HA GLN 661 -9.583 -6.131 -5.692 623 HB2 GLN 661 1HB GLN 661 -8.082 -8.723 -6.180 624 HB3 GLN 661 2HB GLN 661 -9.299 -8.062 -7.256 625 HG2 GLN 661 1HG GLN 661 -7.876 -6.019 -7.513 626 HG3 GLN 661 2HG GLN 661 -6.629 -6.836 -6.574 627 HE21 GLN 661 1HE2 GLN 661 -5.183 -6.799 -8.280 628 HE22 GLN 661 2HE2 GLN 661 -5.352 -7.832 -9.656 629 H LYS 662 H LYS 662 -9.141 -9.015 -3.734 630 HA LYS 662 HA LYS 662 -11.672 -10.155 -4.226 631 HB2 LYS 662 1HB LYS 662 -9.815 -10.478 -1.866 632 HB3 LYS 662 2HB LYS 662 -11.207 -11.501 -2.202 633 HG2 LYS 662 1HG LYS 662 -10.183 -12.237 -4.284 634 HG3 LYS 662 2HG LYS 662 -8.800 -11.182 -3.987 635 HD2 LYS 662 1HD LYS 662 -8.273 -12.433 -1.963 636 HD3 LYS 662 2HD LYS 662 -9.669 -13.477 -2.231 637 HE2 LYS 662 1HE LYS 662 -8.685 -14.227 -4.349 638 HE3 LYS 662 2HE LYS 662 -7.284 -13.197 -4.057 639 HZ1 LYS 662 3HZ LYS 662 -8.143 -15.454 -2.333 640 HZ2 LYS 662 1HZ LYS 662 -6.778 -14.487 -2.087 641 HZ3 LYS 662 2HZ LYS 662 -6.869 -15.501 -3.438 642 H GLU 663 H GLU 663 -10.438 -8.056 -1.648 643 HA GLU 663 HA GLU 663 -12.734 -7.921 -0.071 644 HB2 GLU 663 1HB GLU 663 -10.441 -6.047 -0.545 645 HB3 GLU 663 2HB GLU 663 -11.792 -5.543 0.456 646 HG2 GLU 663 1HG GLU 663 -10.211 -8.049 0.971 647 HG3 GLU 663 2HG GLU 663 -9.804 -6.483 1.669 648 H LEU 664 H LEU 664 -11.722 -5.827 -2.768 649 HA LEU 664 HA LEU 664 -13.864 -4.032 -2.638 650 HB2 LEU 664 1HB LEU 664 -12.280 -4.902 -5.057 651 HB3 LEU 664 2HB LEU 664 -13.323 -3.493 -4.989 652 HG LEU 664 HG LEU 664 -10.831 -3.892 -3.330 653 HD11 LEU 664 1HD1 LEU 664 -11.348 -2.140 -5.728 654 HD12 LEU 664 2HD1 LEU 664 -10.309 -3.564 -5.682 655 HD13 LEU 664 3HD1 LEU 664 -9.884 -2.131 -4.745 656 HD21 LEU 664 3HD2 LEU 664 -11.143 -1.531 -2.738 657 HD22 LEU 664 1HD2 LEU 664 -12.481 -2.533 -2.178 658 HD23 LEU 664 2HD2 LEU 664 -12.675 -1.522 -3.610 659 H GLU 665 H GLU 665 -13.520 -7.053 -4.466 660 HA GLU 665 HA GLU 665 -15.978 -6.851 -5.831 661 HB2 GLU 665 1HB GLU 665 -14.324 -9.277 -5.134 662 HB3 GLU 665 2HB GLU 665 -15.719 -9.303 -6.208 663 HG2 GLU 665 1HG GLU 665 -13.105 -7.880 -6.616 664 HG3 GLU 665 2HG GLU 665 -13.785 -9.200 -7.569 665 H GLU 666 H GLU 666 -15.095 -8.523 -2.820 666 HA GLU 666 HA GLU 666 -17.599 -9.685 -2.342 667 HB2 GLU 666 1HB GLU 666 -15.500 -8.806 -0.358 668 HB3 GLU 666 2HB GLU 666 -16.876 -9.831 0.024 669 HG2 GLU 666 1HG GLU 666 -16.023 -11.463 -1.662 670 HG3 GLU 666 2HG GLU 666 -14.571 -10.470 -1.794 671 H LYS 667 H LYS 667 -16.313 -6.512 -1.482 672 HA LYS 667 HA LYS 667 -18.500 -5.754 0.174 673 HB2 LYS 667 1HB LYS 667 -16.607 -3.957 -1.369 674 HB3 LYS 667 2HB LYS 667 -17.653 -3.461 -0.050 675 HG2 LYS 667 1HG LYS 667 -15.186 -5.189 0.079 676 HG3 LYS 667 2HG LYS 667 -15.491 -3.630 0.846 677 HD2 LYS 667 1HD LYS 667 -17.051 -4.572 2.372 678 HD3 LYS 667 2HD LYS 667 -17.073 -6.106 1.500 679 HE2 LYS 667 1HE LYS 667 -15.735 -6.272 3.527 680 HE3 LYS 667 2HE LYS 667 -14.742 -6.487 2.089 681 HZ1 LYS 667 3HZ LYS 667 -14.121 -4.110 2.313 682 HZ2 LYS 667 1HZ LYS 667 -13.582 -5.089 3.581 683 HZ3 LYS 667 2HZ LYS 667 -14.922 -4.068 3.806 684 H ARG 668 H ARG 668 -17.884 -5.383 -3.314 685 HA ARG 668 HA ARG 668 -20.130 -3.685 -3.610 686 HB2 ARG 668 1HB ARG 668 -19.600 -3.482 -5.898 687 HB3 ARG 668 2HB ARG 668 -18.060 -3.579 -5.061 688 HG2 ARG 668 1HG ARG 668 -17.829 -5.905 -5.688 689 HG3 ARG 668 2HG ARG 668 -19.419 -5.876 -6.453 690 HD2 ARG 668 1HD ARG 668 -17.955 -5.605 -8.242 691 HD3 ARG 668 2HD ARG 668 -18.472 -3.962 -7.881 692 HE ARG 668 HE ARG 668 -15.866 -5.119 -7.109 693 HH11 ARG 668 1HH1 ARG 668 -17.853 -2.352 -7.974 694 HH12 ARG 668 2HH1 ARG 668 -16.509 -1.256 -8.017 695 HH21 ARG 668 1HH2 ARG 668 -14.115 -3.676 -7.190 696 HH22 ARG 668 2HH2 ARG 668 -14.385 -2.005 -7.578 697 H ARG 669 H ARG 669 -19.713 -6.938 -3.454 698 HA ARG 669 HA ARG 669 -21.807 -7.977 -4.920 699 HB2 ARG 669 1HB ARG 669 -20.852 -8.826 -2.193 700 HB3 ARG 669 2HB ARG 669 -22.018 -9.737 -3.139 701 HG2 ARG 669 1HG ARG 669 -20.316 -9.945 -4.930 702 HG3 ARG 669 2HG ARG 669 -19.156 -9.162 -3.856 703 HD2 ARG 669 1HD ARG 669 -20.589 -11.775 -3.398 704 HD3 ARG 669 2HD ARG 669 -18.868 -11.546 -3.710 705 HE ARG 669 HE ARG 669 -19.715 -10.111 -1.396 706 HH11 ARG 669 1HH1 ARG 669 -18.855 -13.306 -2.534 707 HH12 ARG 669 2HH1 ARG 669 -18.376 -13.877 -0.969 708 HH21 ARG 669 1HH2 ARG 669 -19.074 -10.848 0.661 709 HH22 ARG 669 2HH2 ARG 669 -18.496 -12.474 0.851 710 H SER 670 H SER 670 -21.958 -6.394 -1.750 711 HA SER 670 HA SER 670 -24.889 -6.469 -1.951 712 HB2 SER 670 1HB SER 670 -24.815 -5.849 0.457 713 HB3 SER 670 2HB SER 670 -23.786 -7.266 0.199 714 HG SER 670 HG SER 670 -23.091 -4.981 1.276 715 H ARG 671 H ARG 671 -22.274 -4.166 -1.146 716 HA ARG 671 HA ARG 671 -23.675 -1.837 -1.635 717 HB2 ARG 671 1HB ARG 671 -21.315 -2.134 -0.690 718 HB3 ARG 671 2HB ARG 671 -20.770 -2.178 -2.357 719 HG2 ARG 671 1HG ARG 671 -22.337 0.118 -1.215 720 HG3 ARG 671 2HG ARG 671 -20.579 0.040 -1.174 721 HD2 ARG 671 1HD ARG 671 -20.628 -0.210 -3.669 722 HD3 ARG 671 2HD ARG 671 -22.359 0.110 -3.603 723 HE ARG 671 HE ARG 671 -21.229 2.205 -2.268 724 HH11 ARG 671 1HH1 ARG 671 -20.848 0.834 -5.468 725 HH12 ARG 671 2HH1 ARG 671 -20.383 2.338 -6.191 726 HH21 ARG 671 1HH2 ARG 671 -20.615 4.175 -3.212 727 HH22 ARG 671 2HH2 ARG 671 -20.249 4.240 -4.909 728 H LEU 672 H LEU 672 -24.999 -1.887 -3.361 729 HA LEU 672 HA LEU 672 -23.912 -2.394 -6.014 730 HB2 LEU 672 1HB LEU 672 -26.734 -1.731 -5.139 731 HB3 LEU 672 2HB LEU 672 -26.267 -2.171 -6.769 732 HG LEU 672 HG LEU 672 -26.181 -3.947 -4.327 733 HD11 LEU 672 1HD1 LEU 672 -28.415 -3.566 -5.216 734 HD12 LEU 672 2HD1 LEU 672 -27.886 -5.222 -5.518 735 HD13 LEU 672 3HD1 LEU 672 -27.866 -4.038 -6.825 736 HD21 LEU 672 3HD2 LEU 672 -24.297 -4.433 -5.800 737 HD22 LEU 672 1HD2 LEU 672 -25.396 -4.565 -7.174 738 HD23 LEU 672 2HD2 LEU 672 -25.494 -5.726 -5.851 739 H1 ASP 840 1H ASP 840 2.393 -15.181 9.536 740 HA ASP 840 HA ASP 840 1.603 -13.521 7.272 741 HB2 ASP 840 1HB ASP 840 0.069 -14.152 9.819 742 HB3 ASP 840 2HB ASP 840 -0.567 -13.288 8.413 743 H ALA 841 H ALA 841 3.062 -11.830 7.458 744 HA ALA 841 HA ALA 841 3.021 -10.230 9.901 745 HB1 ALA 841 3HB ALA 841 4.785 -8.916 8.832 746 HB2 ALA 841 1HB ALA 841 4.594 -9.852 7.350 747 HB3 ALA 841 2HB ALA 841 5.182 -10.634 8.817 748 H GLY 842 H GLY 842 0.576 -10.344 8.753 749 HA2 GLY 842 1HA GLY 842 -1.146 -9.004 8.059 750 HA3 GLY 842 2HA GLY 842 -0.033 -7.639 8.096 751 H ASN 843 H ASN 843 -0.777 -10.540 6.262 752 HA ASN 843 HA ASN 843 0.302 -9.339 3.826 753 HB2 ASN 843 1HB ASN 843 -0.690 -12.118 4.478 754 HB3 ASN 843 2HB ASN 843 -0.197 -11.631 2.857 755 HD21 ASN 843 1HD2 ASN 843 2.011 -11.395 2.419 756 HD22 ASN 843 2HD2 ASN 843 3.257 -11.826 3.553 757 H ILE 844 H ILE 844 -2.425 -8.883 5.322 758 HA ILE 844 HA ILE 844 -4.052 -8.831 2.873 759 HB ILE 844 HB ILE 844 -5.134 -9.643 5.595 760 HG12 ILE 844 1HG1 ILE 844 -4.646 -11.358 3.143 761 HG13 ILE 844 2HG1 ILE 844 -3.706 -11.416 4.630 762 HG21 ILE 844 1HG2 ILE 844 -7.185 -10.176 4.366 763 HG22 ILE 844 2HG2 ILE 844 -6.446 -9.583 2.881 764 HG23 ILE 844 3HG2 ILE 844 -6.759 -8.470 4.212 765 HD11 ILE 844 3HD1 ILE 844 -6.625 -12.091 4.369 766 HD12 ILE 844 1HD1 ILE 844 -5.671 -12.167 5.849 767 HD13 ILE 844 2HD1 ILE 844 -5.297 -13.242 4.503 768 H LEU 845 H LEU 845 -5.572 -7.093 2.816 769 HA LEU 845 HA LEU 845 -4.853 -4.899 4.583 770 HB2 LEU 845 1HB LEU 845 -6.559 -5.001 2.099 771 HB3 LEU 845 2HB LEU 845 -6.332 -3.553 3.061 772 HG LEU 845 HG LEU 845 -3.762 -4.167 2.617 773 HD11 LEU 845 1HD1 LEU 845 -4.278 -6.153 1.298 774 HD12 LEU 845 2HD1 LEU 845 -3.457 -4.929 0.331 775 HD13 LEU 845 3HD1 LEU 845 -5.194 -5.168 0.155 776 HD21 LEU 845 3HD2 LEU 845 -3.817 -2.523 0.807 777 HD22 LEU 845 1HD2 LEU 845 -4.810 -2.027 2.176 778 HD23 LEU 845 2HD2 LEU 845 -5.571 -2.678 0.727 779 HA PRO 846 HA PRO 846 -8.222 -5.487 7.377 780 HB2 PRO 846 1HB PRO 846 -8.168 -2.509 7.441 781 HB3 PRO 846 2HB PRO 846 -8.120 -3.665 8.776 782 HG2 PRO 846 1HG PRO 846 -5.918 -2.383 8.014 783 HG3 PRO 846 2HG PRO 846 -5.857 -4.085 8.506 784 HD2 PRO 846 1HD PRO 846 -5.740 -2.896 5.774 785 HD3 PRO 846 2HD PRO 846 -4.905 -4.320 6.426 786 H SER 847 H SER 847 -10.263 -5.753 7.023 787 HA SER 847 HA SER 847 -11.627 -5.080 4.706 788 HB2 SER 847 1HB SER 847 -12.230 -6.897 6.354 789 HB3 SER 847 2HB SER 847 -12.912 -5.643 7.389 790 HG SER 847 HG SER 847 -13.890 -6.771 5.084 791 H ASP 848 H ASP 848 -11.461 -3.462 7.806 792 HA ASP 848 HA ASP 848 -13.551 -1.648 7.603 793 HB2 ASP 848 1HB ASP 848 -12.170 -2.076 9.640 794 HB3 ASP 848 2HB ASP 848 -10.869 -1.136 8.914 795 H ILE 849 H ILE 849 -10.157 -1.204 6.574 796 HA ILE 849 HA ILE 849 -10.494 1.437 5.618 797 HB ILE 849 HB ILE 849 -8.447 -0.557 4.606 798 HG12 ILE 849 1HG1 ILE 849 -8.408 -0.400 7.085 799 HG13 ILE 849 2HG1 ILE 849 -6.951 0.255 6.348 800 HG21 ILE 849 1HG2 ILE 849 -8.485 2.462 4.672 801 HG22 ILE 849 2HG2 ILE 849 -8.611 1.438 3.242 802 HG23 ILE 849 3HG2 ILE 849 -7.112 1.478 4.171 803 HD11 ILE 849 3HD1 ILE 849 -9.265 1.859 7.423 804 HD12 ILE 849 1HD1 ILE 849 -7.806 2.521 6.686 805 HD13 ILE 849 2HD1 ILE 849 -7.699 1.627 8.201 806 H MET 850 H MET 850 -10.758 -1.718 4.097 807 HA MET 850 HA MET 850 -11.038 -0.888 1.439 808 HB2 MET 850 1HB MET 850 -12.101 -3.341 2.842 809 HB3 MET 850 2HB MET 850 -12.127 -3.127 1.098 810 HG2 MET 850 1HG MET 850 -9.554 -2.913 2.600 811 HG3 MET 850 2HG MET 850 -10.231 -4.492 2.221 812 HE1 MET 850 3HE MET 850 -10.188 -1.157 -0.252 813 HE2 MET 850 1HE MET 850 -8.529 -1.435 -0.766 814 HE3 MET 850 2HE MET 850 -8.885 -1.156 0.938 815 H ASP 851 H ASP 851 -13.403 -1.299 3.993 816 HA ASP 851 HA ASP 851 -15.758 -0.992 2.552 817 HB2 ASP 851 1HB ASP 851 -14.959 -0.375 5.387 818 HB3 ASP 851 2HB ASP 851 -16.517 0.202 4.792 819 H PHE 852 H PHE 852 -13.443 1.466 3.567 820 HA PHE 852 HA PHE 852 -15.049 3.728 3.505 821 HB2 PHE 852 1HB PHE 852 -12.131 3.474 2.772 822 HB3 PHE 852 2HB PHE 852 -12.957 5.004 3.021 823 HD1 PHE 852 HD1 PHE 852 -14.614 3.529 5.405 824 HD2 PHE 852 HD2 PHE 852 -10.524 4.253 4.469 825 HE1 PHE 852 HE1 PHE 852 -14.050 3.442 7.796 826 HE2 PHE 852 HE2 PHE 852 -9.956 4.156 6.854 827 HZ PHE 852 HZ PHE 852 -11.722 3.753 8.522 828 H VAL 853 H VAL 853 -13.169 2.345 0.794 829 HA VAL 853 HA VAL 853 -13.825 4.422 -1.001 830 HB VAL 853 HB VAL 853 -11.895 3.132 -1.509 831 HG11 VAL 853 1HG1 VAL 853 -13.693 0.721 -1.668 832 HG12 VAL 853 2HG1 VAL 853 -12.472 1.045 -0.437 833 HG13 VAL 853 3HG1 VAL 853 -11.985 0.750 -2.107 834 HG21 VAL 853 3HG2 VAL 853 -12.294 2.458 -3.826 835 HG22 VAL 853 1HG2 VAL 853 -13.113 3.975 -3.450 836 HG23 VAL 853 2HG2 VAL 853 -14.033 2.473 -3.535 837 H LEU 854 H LEU 854 -15.330 1.271 -0.416 838 HA LEU 854 HA LEU 854 -17.309 1.535 -2.418 839 HB2 LEU 854 1HB LEU 854 -17.080 -0.131 0.059 840 HB3 LEU 854 2HB LEU 854 -18.598 -0.073 -0.805 841 HG LEU 854 HG LEU 854 -17.238 -2.054 -1.363 842 HD11 LEU 854 1HD1 LEU 854 -18.848 -1.062 -2.998 843 HD12 LEU 854 2HD1 LEU 854 -17.558 -2.028 -3.705 844 HD13 LEU 854 3HD1 LEU 854 -17.475 -0.272 -3.778 845 HD21 LEU 854 3HD2 LEU 854 -15.021 -1.070 -1.134 846 HD22 LEU 854 1HD2 LEU 854 -15.306 -0.093 -2.574 847 HD23 LEU 854 2HD2 LEU 854 -15.226 -1.850 -2.703 848 H LYS 855 H LYS 855 -17.113 2.604 0.930 849 HA LYS 855 HA LYS 855 -19.892 3.330 1.114 850 HB2 LYS 855 1HB LYS 855 -18.620 2.821 3.134 851 HB3 LYS 855 2HB LYS 855 -17.526 4.157 2.813 852 HG2 LYS 855 1HG LYS 855 -19.475 5.710 3.056 853 HG3 LYS 855 2HG LYS 855 -20.451 4.337 3.593 854 HD2 LYS 855 1HD LYS 855 -17.949 5.404 4.905 855 HD3 LYS 855 2HD LYS 855 -19.599 5.543 5.508 856 HE2 LYS 855 1HE LYS 855 -18.021 2.995 5.160 857 HE3 LYS 855 2HE LYS 855 -18.416 3.787 6.683 858 HZ1 LYS 855 3HZ LYS 855 -20.360 2.597 4.787 859 HZ2 LYS 855 1HZ LYS 855 -20.763 3.403 6.218 860 HZ3 LYS 855 2HZ LYS 855 -19.898 1.951 6.278 861 H ASN 856 H ASN 856 -16.900 5.246 0.859 862 HA ASN 856 HA ASN 856 -18.520 7.591 0.122 863 HB2 ASN 856 1HB ASN 856 -15.621 7.405 0.984 864 HB3 ASN 856 2HB ASN 856 -16.484 8.896 0.631 865 HD21 ASN 856 1HD2 ASN 856 -18.951 8.093 1.895 866 HD22 ASN 856 2HD2 ASN 856 -18.661 8.114 3.599 867 H THR 857 H THR 857 -18.494 8.339 -1.908 868 HA THR 857 HA THR 857 -16.226 7.770 -3.632 869 HB THR 857 HB THR 857 -19.016 7.110 -4.578 870 HG1 THR 857 HG1 THR 857 -17.130 5.566 -3.187 871 HG21 THR 857 1HG2 THR 857 -17.822 5.962 -6.389 872 HG22 THR 857 2HG2 THR 857 -16.282 6.468 -5.695 873 HG23 THR 857 3HG2 THR 857 -17.402 7.674 -6.329 874 HA PRO 858 HA PRO 858 -17.411 12.144 -4.152 875 HB2 PRO 858 1HB PRO 858 -14.891 11.977 -5.718 876 HB3 PRO 858 2HB PRO 858 -15.375 13.146 -4.485 877 HG2 PRO 858 1HG PRO 858 -13.583 11.255 -3.932 878 HG3 PRO 858 2HG PRO 858 -14.798 11.741 -2.735 879 HD2 PRO 858 1HD PRO 858 -14.709 9.308 -4.468 880 HD3 PRO 858 2HD PRO 858 -15.243 9.477 -2.783 Start of MODEL 15 1 H1 GLY 586 1H GLY 586 32.223 9.690 -2.573 2 HA2 GLY 586 1HA GLY 586 34.161 10.824 -0.769 3 HA3 GLY 586 2HA GLY 586 32.514 10.828 -0.149 4 H VAL 587 H VAL 587 32.026 9.114 1.071 5 HA VAL 587 HA VAL 587 33.543 6.676 0.842 6 HB VAL 587 HB VAL 587 32.066 5.782 2.587 7 HG11 VAL 587 1HG1 VAL 587 33.070 8.562 3.162 8 HG12 VAL 587 2HG1 VAL 587 34.004 7.070 3.259 9 HG13 VAL 587 3HG1 VAL 587 32.668 7.348 4.376 10 HG21 VAL 587 3HG2 VAL 587 29.977 6.817 1.955 11 HG22 VAL 587 1HG2 VAL 587 30.614 8.411 2.351 12 HG23 VAL 587 2HG2 VAL 587 30.363 7.220 3.627 13 H ARG 588 H ARG 588 32.501 4.584 0.430 14 HA ARG 588 HA ARG 588 30.900 4.869 -1.994 15 HB2 ARG 588 1HB ARG 588 31.637 2.637 -2.558 16 HB3 ARG 588 2HB ARG 588 33.032 3.553 -2.006 17 HG2 ARG 588 1HG ARG 588 33.430 1.662 -0.825 18 HG3 ARG 588 2HG ARG 588 32.303 2.424 0.314 19 HD2 ARG 588 1HD ARG 588 30.469 1.191 -0.959 20 HD3 ARG 588 2HD ARG 588 31.769 0.252 -1.690 21 HE ARG 588 HE ARG 588 32.320 -0.044 0.896 22 HH11 ARG 588 1HH1 ARG 588 29.308 -0.308 -0.858 23 HH12 ARG 588 2HH1 ARG 588 28.604 -1.428 0.263 24 HH21 ARG 588 1HH2 ARG 588 31.397 -1.517 2.382 25 HH22 ARG 588 2HH2 ARG 588 29.801 -2.130 2.098 26 H LYS 589 H LYS 589 29.980 4.845 0.940 27 HA LYS 589 HA LYS 589 28.503 2.769 1.782 28 HB2 LYS 589 1HB LYS 589 27.181 4.254 3.026 29 HB3 LYS 589 2HB LYS 589 28.611 5.229 2.705 30 HG2 LYS 589 1HG LYS 589 26.057 5.386 1.110 31 HG3 LYS 589 2HG LYS 589 26.459 6.441 2.463 32 HD2 LYS 589 1HD LYS 589 28.322 7.359 1.281 33 HD3 LYS 589 2HD LYS 589 28.176 6.156 -0.001 34 HE2 LYS 589 1HE LYS 589 27.284 8.298 -0.726 35 HE3 LYS 589 2HE LYS 589 26.000 7.096 -0.619 36 HZ1 LYS 589 3HZ LYS 589 25.358 9.256 0.306 37 HZ2 LYS 589 1HZ LYS 589 26.589 9.134 1.458 38 HZ3 LYS 589 2HZ LYS 589 25.308 8.031 1.468 39 H GLY 590 H GLY 590 27.003 1.459 0.995 40 HA2 GLY 590 1HA GLY 590 24.795 2.380 -0.511 41 HA3 GLY 590 2HA GLY 590 25.977 1.586 -1.539 42 H TRP 591 H TRP 591 24.144 1.139 1.442 43 HA TRP 591 HA TRP 591 24.192 -1.725 1.283 44 HB2 TRP 591 1HB TRP 591 21.929 -0.516 2.720 45 HB3 TRP 591 2HB TRP 591 23.124 -1.671 3.285 46 HD1 TRP 591 HD1 TRP 591 24.732 -0.796 5.054 47 HE1 TRP 591 HE1 TRP 591 25.372 1.514 5.967 48 HE3 TRP 591 HE3 TRP 591 22.247 2.143 1.694 49 HZ2 TRP 591 HZ2 TRP 591 24.959 4.237 5.311 50 HZ3 TRP 591 HZ3 TRP 591 22.427 4.586 1.901 51 HH2 TRP 591 HH2 TRP 591 23.754 5.609 3.673 52 H HIS 592 H HIS 592 21.573 0.653 0.965 53 HA HIS 592 HA HIS 592 19.984 -1.330 -0.464 54 HB2 HIS 592 1HB HIS 592 19.332 1.153 1.045 55 HB3 HIS 592 2HB HIS 592 18.218 0.616 -0.210 56 HD1 HIS 592 HD1 HIS 592 19.061 0.086 3.281 57 HD2 HIS 592 HD2 HIS 592 17.266 -2.116 0.247 58 HE1 HIS 592 HE1 HIS 592 17.827 -1.776 4.433 59 HE2 HIS 592 HE2 HIS 592 16.912 -3.195 2.569 60 H GLU 593 H GLU 593 22.182 0.783 -1.479 61 HA GLU 593 HA GLU 593 21.128 2.560 -3.218 62 HB2 GLU 593 1HB GLU 593 23.223 2.210 -4.607 63 HB3 GLU 593 2HB GLU 593 23.428 2.607 -2.911 64 HG2 GLU 593 1HG GLU 593 25.034 0.946 -3.670 65 HG3 GLU 593 2HG GLU 593 24.008 0.331 -2.390 66 H HIS 594 H HIS 594 21.257 -0.906 -3.825 67 HA HIS 594 HA HIS 594 20.497 -0.731 -6.543 68 HB2 HIS 594 1HB HIS 594 19.923 -3.135 -6.368 69 HB3 HIS 594 2HB HIS 594 21.527 -2.764 -5.737 70 HD1 HIS 594 HD1 HIS 594 19.075 -5.019 -5.030 71 HD2 HIS 594 HD2 HIS 594 20.954 -2.180 -2.648 72 HE1 HIS 594 HE1 HIS 594 18.773 -5.815 -2.662 73 HE2 HIS 594 HE2 HIS 594 20.055 -4.161 -1.255 74 H VAL 595 H VAL 595 18.776 0.345 -4.018 75 HA VAL 595 HA VAL 595 16.352 0.227 -5.658 76 HB VAL 595 HB VAL 595 16.466 0.108 -2.635 77 HG11 VAL 595 1HG1 VAL 595 14.673 1.575 -3.208 78 HG12 VAL 595 2HG1 VAL 595 13.964 0.017 -2.779 79 HG13 VAL 595 3HG1 VAL 595 14.103 0.490 -4.474 80 HG21 VAL 595 3HG2 VAL 595 15.311 -1.848 -4.611 81 HG22 VAL 595 1HG2 VAL 595 15.280 -2.005 -2.856 82 HG23 VAL 595 2HG2 VAL 595 16.819 -2.055 -3.719 83 H THR 596 H THR 596 15.582 2.248 -6.103 84 HA THR 596 HA THR 596 16.875 4.502 -4.813 85 HB THR 596 HB THR 596 16.703 4.719 -7.184 86 HG1 THR 596 HG1 THR 596 16.330 6.729 -6.628 87 HG21 THR 596 1HG2 THR 596 13.732 4.310 -6.909 88 HG22 THR 596 2HG2 THR 596 14.871 3.145 -7.574 89 HG23 THR 596 3HG2 THR 596 14.592 4.674 -8.402 90 H GLN 597 H GLN 597 15.662 6.252 -3.876 91 HA GLN 597 HA GLN 597 13.691 5.377 -2.045 92 HB2 GLN 597 1HB GLN 597 15.239 7.285 -1.649 93 HB3 GLN 597 2HB GLN 597 14.367 8.208 -2.863 94 HG2 GLN 597 1HG GLN 597 13.682 8.843 -0.631 95 HG3 GLN 597 2HG GLN 597 12.345 8.099 -1.509 96 HE21 GLN 597 1HE2 GLN 597 11.284 7.564 0.400 97 HE22 GLN 597 2HE2 GLN 597 11.818 6.283 1.418 98 H ASP 598 H ASP 598 13.608 7.104 -5.078 99 HA ASP 598 HA ASP 598 10.918 7.811 -5.208 100 HB2 ASP 598 1HB ASP 598 12.555 8.597 -6.856 101 HB3 ASP 598 2HB ASP 598 12.704 6.966 -7.501 102 H LEU 599 H LEU 599 12.482 4.741 -5.985 103 HA LEU 599 HA LEU 599 10.332 3.396 -7.093 104 HB2 LEU 599 1HB LEU 599 12.752 2.614 -6.838 105 HB3 LEU 599 2HB LEU 599 12.320 2.103 -5.217 106 HG LEU 599 HG LEU 599 10.558 0.641 -6.225 107 HD11 LEU 599 1HD1 LEU 599 11.876 1.560 -8.766 108 HD12 LEU 599 2HD1 LEU 599 10.192 1.773 -8.292 109 HD13 LEU 599 3HD1 LEU 599 10.809 0.160 -8.653 110 HD21 LEU 599 3HD2 LEU 599 12.675 -0.320 -5.573 111 HD22 LEU 599 1HD2 LEU 599 13.410 0.185 -7.094 112 HD23 LEU 599 2HD2 LEU 599 12.148 -1.045 -7.090 113 H ARG 600 H ARG 600 11.282 3.684 -3.681 114 HA ARG 600 HA ARG 600 9.177 2.089 -2.684 115 HB2 ARG 600 1HB ARG 600 10.841 4.204 -1.316 116 HB3 ARG 600 2HB ARG 600 9.717 3.136 -0.483 117 HG2 ARG 600 1HG ARG 600 11.087 1.240 -1.590 118 HG3 ARG 600 2HG ARG 600 12.317 2.488 -1.800 119 HD2 ARG 600 1HD ARG 600 11.024 1.816 0.834 120 HD3 ARG 600 2HD ARG 600 12.545 1.124 0.284 121 HE ARG 600 HE ARG 600 13.208 3.638 0.148 122 HH11 ARG 600 1HH1 ARG 600 11.092 2.228 2.557 123 HH12 ARG 600 2HH1 ARG 600 11.673 3.238 3.843 124 HH21 ARG 600 1HH2 ARG 600 13.939 5.003 1.835 125 HH22 ARG 600 2HH2 ARG 600 13.277 4.821 3.433 126 H SER 601 H SER 601 9.478 5.604 -3.120 127 HA SER 601 HA SER 601 7.039 6.234 -1.834 128 HB2 SER 601 1HB SER 601 7.265 8.414 -3.155 129 HB3 SER 601 2HB SER 601 8.589 8.007 -2.065 130 HG SER 601 HG SER 601 8.504 7.945 -4.874 131 H HIS 602 H HIS 602 7.889 5.504 -5.178 132 HA HIS 602 HA HIS 602 5.393 6.022 -6.357 133 HB2 HIS 602 1HB HIS 602 7.612 5.477 -7.530 134 HB3 HIS 602 2HB HIS 602 7.220 3.785 -7.240 135 HD1 HIS 602 HD1 HIS 602 6.798 6.390 -9.680 136 HD2 HIS 602 HD2 HIS 602 4.608 3.069 -8.480 137 HE1 HIS 602 HE1 HIS 602 5.231 5.895 -11.577 138 HE2 HIS 602 HE2 HIS 602 3.822 3.967 -10.774 139 H LEU 603 H LEU 603 6.700 3.108 -4.847 140 HA LEU 603 HA LEU 603 4.547 1.397 -5.421 141 HB2 LEU 603 1HB LEU 603 6.482 1.251 -3.111 142 HB3 LEU 603 2HB LEU 603 5.446 -0.046 -3.661 143 HG LEU 603 HG LEU 603 7.559 1.215 -5.401 144 HD11 LEU 603 1HD1 LEU 603 7.735 -1.314 -3.776 145 HD12 LEU 603 2HD1 LEU 603 8.613 0.181 -3.462 146 HD13 LEU 603 3HD1 LEU 603 8.933 -0.737 -4.934 147 HD21 LEU 603 3HD2 LEU 603 7.265 -0.821 -6.734 148 HD22 LEU 603 1HD2 LEU 603 5.772 0.110 -6.617 149 HD23 LEU 603 2HD2 LEU 603 5.983 -1.344 -5.643 150 H VAL 604 H VAL 604 5.096 3.642 -2.770 151 HA VAL 604 HA VAL 604 2.993 2.781 -1.091 152 HB VAL 604 HB VAL 604 4.302 5.490 -1.399 153 HG11 VAL 604 1HG1 VAL 604 2.020 5.766 -0.539 154 HG12 VAL 604 2HG1 VAL 604 3.229 6.134 0.691 155 HG13 VAL 604 3HG1 VAL 604 2.365 4.597 0.736 156 HG21 VAL 604 3HG2 VAL 604 5.396 4.914 0.705 157 HG22 VAL 604 1HG2 VAL 604 5.739 3.706 -0.535 158 HG23 VAL 604 2HG2 VAL 604 4.553 3.366 0.727 159 H HIS 605 H HIS 605 3.150 5.178 -3.709 160 HA HIS 605 HA HIS 605 0.462 6.057 -3.471 161 HB2 HIS 605 1HB HIS 605 2.160 6.045 -5.973 162 HB3 HIS 605 2HB HIS 605 0.722 7.015 -5.696 163 HD1 HIS 605 HD1 HIS 605 3.740 8.005 -6.312 164 HD2 HIS 605 HD2 HIS 605 1.724 8.124 -2.676 165 HE1 HIS 605 HE1 HIS 605 4.854 9.822 -4.979 166 HE2 HIS 605 HE2 HIS 605 3.733 9.755 -2.726 167 H LYS 606 H LYS 606 2.048 3.547 -5.355 168 HA LYS 606 HA LYS 606 -0.080 2.660 -6.905 169 HB2 LYS 606 1HB LYS 606 2.263 1.906 -7.143 170 HB3 LYS 606 2HB LYS 606 2.115 1.008 -5.642 171 HG2 LYS 606 1HG LYS 606 0.427 -0.428 -6.645 172 HG3 LYS 606 2HG LYS 606 0.528 0.493 -8.148 173 HD2 LYS 606 1HD LYS 606 2.908 -0.129 -8.337 174 HD3 LYS 606 2HD LYS 606 2.752 -1.100 -6.873 175 HE2 LYS 606 1HE LYS 606 1.130 -2.531 -7.954 176 HE3 LYS 606 2HE LYS 606 1.157 -1.519 -9.397 177 HZ1 LYS 606 3HZ LYS 606 3.457 -2.119 -9.752 178 HZ2 LYS 606 1HZ LYS 606 2.508 -3.516 -9.649 179 HZ3 LYS 606 2HZ LYS 606 3.469 -3.052 -8.341 180 H LEU 607 H LEU 607 0.823 1.852 -3.591 181 HA LEU 607 HA LEU 607 -1.186 -0.071 -3.113 182 HB2 LEU 607 1HB LEU 607 0.892 0.437 -1.731 183 HB3 LEU 607 2HB LEU 607 0.016 1.804 -1.077 184 HG LEU 607 HG LEU 607 -1.022 -1.015 -0.835 185 HD11 LEU 607 1HD1 LEU 607 -0.040 -1.057 1.397 186 HD12 LEU 607 2HD1 LEU 607 0.744 0.490 1.084 187 HD13 LEU 607 3HD1 LEU 607 1.203 -0.931 0.151 188 HD21 LEU 607 3HD2 LEU 607 -2.251 -0.083 1.063 189 HD22 LEU 607 1HD2 LEU 607 -2.637 0.776 -0.427 190 HD23 LEU 607 2HD2 LEU 607 -1.541 1.500 0.748 191 H VAL 608 H VAL 608 -1.045 3.419 -2.361 192 HA VAL 608 HA VAL 608 -3.597 3.733 -1.346 193 HB VAL 608 HB VAL 608 -2.022 5.708 -3.007 194 HG11 VAL 608 1HG1 VAL 608 -4.362 6.361 -2.877 195 HG12 VAL 608 2HG1 VAL 608 -3.365 7.437 -1.898 196 HG13 VAL 608 3HG1 VAL 608 -4.330 6.182 -1.123 197 HG21 VAL 608 3HG2 VAL 608 -2.172 5.322 -0.019 198 HG22 VAL 608 1HG2 VAL 608 -1.304 6.616 -0.844 199 HG23 VAL 608 2HG2 VAL 608 -0.793 4.941 -1.051 200 H GLN 609 H GLN 609 -2.543 4.045 -4.725 201 HA GLN 609 HA GLN 609 -5.028 4.733 -5.801 202 HB2 GLN 609 1HB GLN 609 -2.464 3.759 -6.876 203 HB3 GLN 609 2HB GLN 609 -3.870 3.458 -7.888 204 HG2 GLN 609 1HG GLN 609 -2.755 5.558 -8.457 205 HG3 GLN 609 2HG GLN 609 -4.410 5.813 -7.908 206 HE21 GLN 609 1HE2 GLN 609 -4.769 6.785 -5.886 207 HE22 GLN 609 2HE2 GLN 609 -3.536 7.684 -5.082 208 H ALA 610 H ALA 610 -3.630 1.551 -5.180 209 HA ALA 610 HA ALA 610 -5.530 -0.043 -6.435 210 HB1 ALA 610 3HB ALA 610 -4.113 -0.580 -3.827 211 HB2 ALA 610 1HB ALA 610 -3.479 -0.922 -5.438 212 HB3 ALA 610 2HB ALA 610 -4.901 -1.784 -4.848 213 H ILE 611 H ILE 611 -5.635 1.554 -3.292 214 HA ILE 611 HA ILE 611 -8.220 0.414 -2.654 215 HB ILE 611 HB ILE 611 -6.534 2.526 -1.219 216 HG12 ILE 611 1HG1 ILE 611 -7.194 -0.146 0.010 217 HG13 ILE 611 2HG1 ILE 611 -5.916 -0.041 -1.214 218 HG21 ILE 611 1HG2 ILE 611 -9.066 1.290 -0.138 219 HG22 ILE 611 2HG2 ILE 611 -8.943 2.911 -0.824 220 HG23 ILE 611 3HG2 ILE 611 -8.043 2.500 0.634 221 HD11 ILE 611 3HD1 ILE 611 -5.020 0.106 1.027 222 HD12 ILE 611 1HD1 ILE 611 -6.060 1.487 1.374 223 HD13 ILE 611 2HD1 ILE 611 -4.776 1.630 0.174 224 H PHE 612 H PHE 612 -6.970 3.351 -4.077 225 HA PHE 612 HA PHE 612 -9.626 4.330 -4.574 226 HB2 PHE 612 1HB PHE 612 -8.908 5.040 -2.176 227 HB3 PHE 612 2HB PHE 612 -7.836 6.161 -3.001 228 HD1 PHE 612 HD2 PHE 612 -11.316 5.128 -3.823 229 HD2 PHE 612 HD1 PHE 612 -8.702 8.255 -2.623 230 HE1 PHE 612 HE2 PHE 612 -13.167 6.738 -4.009 231 HE2 PHE 612 HE1 PHE 612 -10.547 9.871 -2.795 232 HZ PHE 612 HZ PHE 612 -12.782 9.115 -3.493 233 HA PRO 613 HA PRO 613 -6.507 5.382 -7.735 234 HB2 PRO 613 1HB PRO 613 -8.058 4.825 -9.894 235 HB3 PRO 613 2HB PRO 613 -7.214 3.569 -8.976 236 HG2 PRO 613 1HG PRO 613 -10.094 4.325 -8.980 237 HG3 PRO 613 2HG PRO 613 -9.348 2.741 -8.727 238 HD2 PRO 613 1HD PRO 613 -10.367 4.416 -6.720 239 HD3 PRO 613 2HD PRO 613 -9.259 3.039 -6.483 240 H THR 614 H THR 614 -9.799 6.541 -7.428 241 HA THR 614 HA THR 614 -9.410 8.708 -9.306 242 HB THR 614 HB THR 614 -11.728 9.385 -8.520 243 HG1 THR 614 HG1 THR 614 -11.518 8.226 -6.470 244 HG21 THR 614 1HG2 THR 614 -11.373 6.572 -9.575 245 HG22 THR 614 2HG2 THR 614 -11.358 8.045 -10.544 246 HG23 THR 614 3HG2 THR 614 -12.833 7.552 -9.714 247 HA PRO 615 HA PRO 615 -7.888 11.230 -5.839 248 HB2 PRO 615 1HB PRO 615 -6.723 12.974 -7.827 249 HB3 PRO 615 2HB PRO 615 -5.899 11.867 -6.718 250 HG2 PRO 615 1HG PRO 615 -5.951 11.488 -9.434 251 HG3 PRO 615 2HG PRO 615 -5.801 10.154 -8.263 252 HD2 PRO 615 1HD PRO 615 -8.256 11.171 -9.692 253 HD3 PRO 615 2HD PRO 615 -7.723 9.487 -9.454 254 H ASP 616 H ASP 616 -10.139 11.865 -5.531 255 HA ASP 616 HA ASP 616 -11.328 13.984 -7.040 256 HB2 ASP 616 1HB ASP 616 -12.737 12.432 -5.727 257 HB3 ASP 616 2HB ASP 616 -11.957 12.970 -4.244 258 HA PRO 617 HA PRO 617 -8.903 17.364 -5.598 259 HB2 PRO 617 1HB PRO 617 -10.898 19.324 -5.853 260 HB3 PRO 617 2HB PRO 617 -9.799 18.786 -7.131 261 HG2 PRO 617 1HG PRO 617 -12.610 17.955 -6.562 262 HG3 PRO 617 2HG PRO 617 -11.811 18.241 -8.123 263 HD2 PRO 617 1HD PRO 617 -12.242 15.761 -7.250 264 HD3 PRO 617 2HD PRO 617 -10.729 16.172 -8.099 265 H ALA 618 H ALA 618 -12.058 16.693 -4.149 266 HA ALA 618 HA ALA 618 -11.411 18.378 -1.860 267 HB1 ALA 618 3HB ALA 618 -13.890 16.762 -2.440 268 HB2 ALA 618 1HB ALA 618 -13.679 18.479 -2.777 269 HB3 ALA 618 2HB ALA 618 -13.677 17.901 -1.112 270 H ALA 619 H ALA 619 -12.370 15.005 -2.492 271 HA ALA 619 HA ALA 619 -11.933 13.964 0.032 272 HB1 ALA 619 3HB ALA 619 -11.403 12.442 -2.502 273 HB2 ALA 619 1HB ALA 619 -13.023 12.817 -1.913 274 HB3 ALA 619 2HB ALA 619 -11.943 11.811 -0.948 275 H LEU 620 H LEU 620 -9.586 14.789 -2.386 276 HA LEU 620 HA LEU 620 -7.393 13.263 -1.473 277 HB2 LEU 620 1HB LEU 620 -7.807 15.037 -3.504 278 HB3 LEU 620 2HB LEU 620 -6.816 15.995 -2.424 279 HG LEU 620 HG LEU 620 -5.461 14.902 -4.138 280 HD11 LEU 620 1HD1 LEU 620 -4.422 15.293 -1.978 281 HD12 LEU 620 2HD1 LEU 620 -3.807 13.814 -2.714 282 HD13 LEU 620 3HD1 LEU 620 -4.987 13.724 -1.408 283 HD21 LEU 620 3HD2 LEU 620 -6.897 12.967 -4.536 284 HD22 LEU 620 1HD2 LEU 620 -6.436 12.304 -2.968 285 HD23 LEU 620 2HD2 LEU 620 -5.225 12.492 -4.236 286 H LYS 621 H LYS 621 -8.957 16.084 -0.259 287 HA LYS 621 HA LYS 621 -6.799 16.598 1.663 288 HB2 LYS 621 1HB LYS 621 -9.264 18.260 1.046 289 HB3 LYS 621 2HB LYS 621 -7.912 18.734 2.071 290 HG2 LYS 621 1HG LYS 621 -6.417 18.655 0.133 291 HG3 LYS 621 2HG LYS 621 -7.778 18.198 -0.891 292 HD2 LYS 621 1HD LYS 621 -8.893 20.321 -0.284 293 HD3 LYS 621 2HD LYS 621 -7.459 20.780 0.637 294 HE2 LYS 621 1HE LYS 621 -6.115 20.614 -1.421 295 HE3 LYS 621 2HE LYS 621 -7.576 20.219 -2.327 296 HZ1 LYS 621 3HZ LYS 621 -7.037 22.758 -0.885 297 HZ2 LYS 621 1HZ LYS 621 -8.484 22.384 -1.677 298 HZ3 LYS 621 2HZ LYS 621 -7.052 22.543 -2.561 299 H ASP 622 H ASP 622 -8.880 14.370 1.728 300 HA ASP 622 HA ASP 622 -10.490 15.099 4.057 301 HB2 ASP 622 1HB ASP 622 -11.677 13.923 2.291 302 HB3 ASP 622 2HB ASP 622 -10.503 12.606 2.323 303 H ARG 623 H ARG 623 -10.119 14.403 6.048 304 HA ARG 623 HA ARG 623 -7.641 13.567 6.874 305 HB2 ARG 623 1HB ARG 623 -10.303 13.421 8.270 306 HB3 ARG 623 2HB ARG 623 -8.775 13.096 9.069 307 HG2 ARG 623 1HG ARG 623 -9.616 15.698 7.805 308 HG3 ARG 623 2HG ARG 623 -9.475 15.352 9.527 309 HD2 ARG 623 1HD ARG 623 -7.078 14.997 9.273 310 HD3 ARG 623 2HD ARG 623 -7.207 15.297 7.541 311 HE ARG 623 HE ARG 623 -8.215 17.474 9.081 312 HH11 ARG 623 1HH1 ARG 623 -5.275 15.998 7.857 313 HH12 ARG 623 2HH1 ARG 623 -4.372 17.485 7.916 314 HH21 ARG 623 1HH2 ARG 623 -7.026 19.414 9.146 315 HH22 ARG 623 2HH2 ARG 623 -5.364 19.420 8.652 316 H ARG 624 H ARG 624 -10.464 11.478 6.234 317 HA ARG 624 HA ARG 624 -9.329 9.193 7.475 318 HB2 ARG 624 1HB ARG 624 -11.567 9.560 5.532 319 HB3 ARG 624 2HB ARG 624 -10.895 7.949 5.732 320 HG2 ARG 624 1HG ARG 624 -11.258 8.606 8.311 321 HG3 ARG 624 2HG ARG 624 -12.544 9.560 7.573 322 HD2 ARG 624 1HD ARG 624 -13.477 7.425 8.150 323 HD3 ARG 624 2HD ARG 624 -13.299 7.472 6.394 324 HE ARG 624 HE ARG 624 -10.982 6.324 7.354 325 HH11 ARG 624 1HH1 ARG 624 -14.402 5.574 7.436 326 HH12 ARG 624 2HH1 ARG 624 -14.153 3.870 7.632 327 HH21 ARG 624 1HH2 ARG 624 -10.659 4.082 7.613 328 HH22 ARG 624 2HH2 ARG 624 -12.029 3.018 7.756 329 H MET 625 H MET 625 -9.152 10.465 4.188 330 HA MET 625 HA MET 625 -7.838 8.307 3.014 331 HB2 MET 625 1HB MET 625 -8.649 9.992 1.553 332 HB3 MET 625 2HB MET 625 -7.717 11.247 2.356 333 HG2 MET 625 1HG MET 625 -5.625 10.134 1.584 334 HG3 MET 625 2HG MET 625 -6.625 8.995 0.682 335 HE1 MET 625 3HE MET 625 -8.949 10.757 -0.529 336 HE2 MET 625 1HE MET 625 -8.004 9.555 -1.405 337 HE3 MET 625 2HE MET 625 -8.220 11.168 -2.081 338 H GLU 626 H GLU 626 -6.544 10.948 4.973 339 HA GLU 626 HA GLU 626 -3.818 10.511 4.460 340 HB2 GLU 626 1HB GLU 626 -5.111 11.539 6.994 341 HB3 GLU 626 2HB GLU 626 -3.413 11.701 6.572 342 HG2 GLU 626 1HG GLU 626 -4.141 12.987 4.547 343 HG3 GLU 626 2HG GLU 626 -5.771 12.976 5.220 344 H ASN 627 H ASN 627 -6.062 9.075 6.747 345 HA ASN 627 HA ASN 627 -4.214 7.551 8.229 346 HB2 ASN 627 1HB ASN 627 -7.148 7.156 7.658 347 HB3 ASN 627 2HB ASN 627 -6.227 6.035 8.654 348 HD21 ASN 627 1HD2 ASN 627 -5.619 9.482 8.653 349 HD22 ASN 627 2HD2 ASN 627 -6.222 9.775 10.245 350 H LEU 628 H LEU 628 -5.935 6.923 5.216 351 HA LEU 628 HA LEU 628 -5.108 4.186 5.016 352 HB2 LEU 628 1HB LEU 628 -6.510 4.140 3.271 353 HB3 LEU 628 2HB LEU 628 -6.902 5.807 3.628 354 HG LEU 628 HG LEU 628 -4.982 6.407 2.015 355 HD11 LEU 628 1HD1 LEU 628 -4.002 4.150 1.907 356 HD12 LEU 628 2HD1 LEU 628 -4.467 4.765 0.325 357 HD13 LEU 628 3HD1 LEU 628 -5.475 3.567 1.130 358 HD21 LEU 628 3HD2 LEU 628 -7.346 6.736 1.503 359 HD22 LEU 628 1HD2 LEU 628 -7.471 5.065 0.968 360 HD23 LEU 628 2HD2 LEU 628 -6.458 6.203 0.081 361 H VAL 629 H VAL 629 -3.826 7.272 3.864 362 HA VAL 629 HA VAL 629 -1.718 6.170 2.313 363 HB VAL 629 HB VAL 629 -1.905 8.900 3.604 364 HG11 VAL 629 1HG1 VAL 629 -0.245 9.574 1.918 365 HG12 VAL 629 2HG1 VAL 629 -0.110 7.894 1.397 366 HG13 VAL 629 3HG1 VAL 629 0.391 8.356 3.024 367 HG21 VAL 629 3HG2 VAL 629 -3.751 8.497 2.085 368 HG22 VAL 629 1HG2 VAL 629 -2.633 7.964 0.829 369 HG23 VAL 629 2HG2 VAL 629 -2.620 9.644 1.367 370 H ALA 630 H ALA 630 -1.946 7.330 5.651 371 HA ALA 630 HA ALA 630 0.712 6.891 6.398 372 HB1 ALA 630 3HB ALA 630 -0.747 8.177 7.801 373 HB2 ALA 630 1HB ALA 630 -0.168 6.791 8.721 374 HB3 ALA 630 2HB ALA 630 -1.805 6.795 8.061 375 H TYR 631 H TYR 631 -2.069 4.686 6.342 376 HA TYR 631 HA TYR 631 -0.700 2.474 7.458 377 HB2 TYR 631 1HB TYR 631 -3.206 2.585 7.200 378 HB3 TYR 631 2HB TYR 631 -2.979 2.301 5.475 379 HD1 TYR 631 HD1 TYR 631 -1.697 0.841 8.666 380 HD2 TYR 631 HD2 TYR 631 -3.374 0.119 4.826 381 HE1 TYR 631 HE1 TYR 631 -1.631 -1.575 9.101 382 HE2 TYR 631 HE2 TYR 631 -3.314 -2.301 5.254 383 HH TYR 631 HH TYR 631 -2.110 -3.898 6.654 384 H ALA 632 H ALA 632 -1.001 3.707 4.168 385 HA ALA 632 HA ALA 632 0.215 1.545 2.827 386 HB1 ALA 632 3HB ALA 632 0.612 3.128 0.998 387 HB2 ALA 632 1HB ALA 632 0.240 4.474 2.075 388 HB3 ALA 632 2HB ALA 632 -1.018 3.316 1.644 389 H LYS 633 H LYS 633 1.538 4.506 4.277 390 HA LYS 633 HA LYS 633 4.245 4.149 3.817 391 HB2 LYS 633 1HB LYS 633 2.793 5.234 6.224 392 HB3 LYS 633 2HB LYS 633 4.496 5.458 5.917 393 HG2 LYS 633 1HG LYS 633 2.148 6.610 4.455 394 HG3 LYS 633 2HG LYS 633 3.462 7.461 5.266 395 HD2 LYS 633 1HD LYS 633 5.025 6.619 3.552 396 HD3 LYS 633 2HD LYS 633 3.663 5.838 2.738 397 HE2 LYS 633 1HE LYS 633 4.229 7.976 1.687 398 HE3 LYS 633 2HE LYS 633 2.609 8.000 2.382 399 HZ1 LYS 633 3HZ LYS 633 3.506 9.180 4.304 400 HZ2 LYS 633 1HZ LYS 633 3.789 10.035 2.873 401 HZ3 LYS 633 2HZ LYS 633 5.046 9.178 3.606 402 H LYS 634 H LYS 634 2.278 3.102 6.535 403 HA LYS 634 HA LYS 634 4.202 1.790 8.036 404 HB2 LYS 634 1HB LYS 634 1.970 2.225 8.893 405 HB3 LYS 634 2HB LYS 634 1.269 1.133 7.708 406 HG2 LYS 634 1HG LYS 634 1.358 0.108 9.908 407 HG3 LYS 634 2HG LYS 634 2.391 -0.755 8.765 408 HD2 LYS 634 1HD LYS 634 4.353 0.383 9.664 409 HD3 LYS 634 2HD LYS 634 3.328 1.284 10.782 410 HE2 LYS 634 1HE LYS 634 3.650 -1.715 10.719 411 HE3 LYS 634 2HE LYS 634 4.428 -0.627 11.867 412 HZ1 LYS 634 3HZ LYS 634 2.275 0.005 12.710 413 HZ2 LYS 634 1HZ LYS 634 2.433 -1.675 12.776 414 HZ3 LYS 634 2HZ LYS 634 1.493 -0.965 11.567 415 H VAL 635 H VAL 635 2.095 0.433 5.498 416 HA VAL 635 HA VAL 635 3.099 -2.152 5.483 417 HB VAL 635 HB VAL 635 1.879 -0.465 3.321 418 HG11 VAL 635 1HG1 VAL 635 3.497 -1.846 2.144 419 HG12 VAL 635 2HG1 VAL 635 1.866 -2.452 1.852 420 HG13 VAL 635 3HG1 VAL 635 2.923 -3.279 2.994 421 HG21 VAL 635 3HG2 VAL 635 1.024 -3.066 4.580 422 HG22 VAL 635 1HG2 VAL 635 0.066 -2.032 3.522 423 HG23 VAL 635 2HG2 VAL 635 0.506 -1.471 5.136 424 H GLU 636 H GLU 636 4.263 0.633 3.554 425 HA GLU 636 HA GLU 636 6.284 -0.785 2.238 426 HB2 GLU 636 1HB GLU 636 7.030 1.208 1.368 427 HB3 GLU 636 2HB GLU 636 5.384 1.619 1.792 428 HG2 GLU 636 1HG GLU 636 6.570 3.468 2.480 429 HG3 GLU 636 2HG GLU 636 6.422 2.549 3.974 430 H GLY 637 H GLY 637 6.310 0.846 5.358 431 HA2 GLY 637 1HA GLY 637 9.061 0.571 5.904 432 HA3 GLY 637 2HA GLY 637 7.799 0.716 7.119 433 H ASP 638 H ASP 638 6.340 -1.575 6.705 434 HA ASP 638 HA ASP 638 7.890 -3.540 8.019 435 HB2 ASP 638 1HB ASP 638 5.431 -3.393 8.221 436 HB3 ASP 638 2HB ASP 638 5.270 -3.880 6.536 437 H MET 639 H MET 639 6.840 -3.166 4.673 438 HA MET 639 HA MET 639 7.920 -5.609 3.716 439 HB2 MET 639 1HB MET 639 7.509 -3.054 2.124 440 HB3 MET 639 2HB MET 639 7.711 -4.671 1.463 441 HG2 MET 639 1HG MET 639 5.392 -3.779 3.172 442 HG3 MET 639 2HG MET 639 5.364 -3.864 1.409 443 HE1 MET 639 3HE MET 639 3.353 -5.466 1.159 444 HE2 MET 639 1HE MET 639 3.090 -5.268 2.895 445 HE3 MET 639 2HE MET 639 3.088 -6.881 2.178 446 H TYR 640 H TYR 640 9.196 -2.373 4.062 447 HA TYR 640 HA TYR 640 11.510 -2.518 2.599 448 HB2 TYR 640 1HB TYR 640 10.631 -0.493 3.863 449 HB3 TYR 640 2HB TYR 640 11.434 -1.143 5.287 450 HD1 TYR 640 HD2 TYR 640 12.584 -1.014 1.735 451 HD2 TYR 640 HD1 TYR 640 13.200 0.348 5.727 452 HE1 TYR 640 HE2 TYR 640 14.654 0.099 1.039 453 HE2 TYR 640 HE1 TYR 640 15.269 1.461 5.026 454 HH TYR 640 HH TYR 640 16.076 1.979 1.789 455 H GLU 641 H GLU 641 10.993 -3.887 5.822 456 HA GLU 641 HA GLU 641 13.742 -4.597 6.222 457 HB2 GLU 641 1HB GLU 641 11.177 -5.370 7.521 458 HB3 GLU 641 2HB GLU 641 12.566 -6.444 7.765 459 HG2 GLU 641 1HG GLU 641 12.532 -4.877 9.610 460 HG3 GLU 641 2HG GLU 641 13.856 -4.370 8.552 461 H SER 642 H SER 642 10.935 -6.415 5.088 462 HA SER 642 HA SER 642 12.284 -8.796 4.435 463 HB2 SER 642 1HB SER 642 9.756 -7.699 3.192 464 HB3 SER 642 2HB SER 642 10.275 -9.385 3.204 465 HG SER 642 HG SER 642 8.770 -8.242 4.970 466 H ALA 643 H ALA 643 11.622 -5.906 2.590 467 HA ALA 643 HA ALA 643 12.162 -6.529 0.005 468 HB1 ALA 643 3HB ALA 643 12.595 -4.203 -0.349 469 HB2 ALA 643 1HB ALA 643 12.945 -3.974 1.364 470 HB3 ALA 643 2HB ALA 643 11.313 -4.395 0.847 471 H ASN 644 H ASN 644 14.332 -7.720 1.780 472 HA ASN 644 HA ASN 644 16.754 -6.361 0.962 473 HB2 ASN 644 1HB ASN 644 16.292 -7.754 3.163 474 HB3 ASN 644 2HB ASN 644 16.760 -9.131 2.171 475 HD21 ASN 644 1HD2 ASN 644 18.760 -7.733 0.611 476 HD22 ASN 644 2HD2 ASN 644 20.106 -7.437 1.668 477 H SER 645 H SER 645 14.700 -7.715 -0.931 478 HA SER 645 HA SER 645 16.707 -8.582 -2.800 479 HB2 SER 645 1HB SER 645 14.491 -10.469 -1.948 480 HB3 SER 645 2HB SER 645 15.549 -10.719 -3.335 481 HG SER 645 HG SER 645 16.884 -10.201 -0.988 482 H ARG 646 H ARG 646 16.087 -8.024 -4.866 483 HA ARG 646 HA ARG 646 14.075 -6.155 -5.229 484 HB2 ARG 646 1HB ARG 646 15.430 -7.946 -7.243 485 HB3 ARG 646 2HB ARG 646 14.343 -6.646 -7.696 486 HG2 ARG 646 1HG ARG 646 16.837 -6.234 -6.074 487 HG3 ARG 646 2HG ARG 646 16.773 -6.099 -7.830 488 HD2 ARG 646 1HD ARG 646 15.127 -4.485 -5.896 489 HD3 ARG 646 2HD ARG 646 16.592 -3.918 -6.694 490 HE ARG 646 HE ARG 646 14.424 -4.825 -8.419 491 HH11 ARG 646 1HH1 ARG 646 16.168 -2.131 -7.001 492 HH12 ARG 646 2HH1 ARG 646 15.461 -0.952 -8.059 493 HH21 ARG 646 1HH2 ARG 646 13.493 -3.266 -9.817 494 HH22 ARG 646 2HH2 ARG 646 13.940 -1.601 -9.659 495 H ASP 647 H ASP 647 14.012 -9.593 -6.100 496 HA ASP 647 HA ASP 647 11.451 -9.564 -7.259 497 HB2 ASP 647 1HB ASP 647 13.144 -11.378 -7.568 498 HB3 ASP 647 2HB ASP 647 12.797 -11.926 -5.929 499 H GLU 648 H GLU 648 12.529 -10.162 -3.963 500 HA GLU 648 HA GLU 648 10.059 -11.067 -2.948 501 HB2 GLU 648 1HB GLU 648 12.330 -11.320 -1.846 502 HB3 GLU 648 2HB GLU 648 12.191 -9.638 -1.335 503 HG2 GLU 648 1HG GLU 648 10.278 -10.126 0.003 504 HG3 GLU 648 2HG GLU 648 10.149 -11.738 -0.684 505 H TYR 649 H TYR 649 11.555 -7.852 -3.003 506 HA TYR 649 HA TYR 649 9.666 -6.483 -1.500 507 HB2 TYR 649 1HB TYR 649 11.914 -5.647 -2.391 508 HB3 TYR 649 2HB TYR 649 11.069 -5.286 -3.891 509 HD1 TYR 649 HD2 TYR 649 8.928 -4.782 -1.085 510 HD2 TYR 649 HD1 TYR 649 12.076 -2.974 -3.305 511 HE1 TYR 649 HE2 TYR 649 8.301 -2.589 -0.180 512 HE2 TYR 649 HE1 TYR 649 11.459 -0.776 -2.397 513 HH TYR 649 HH TYR 649 9.257 -0.407 0.205 514 H TYR 650 H TYR 650 9.733 -6.958 -5.057 515 HA TYR 650 HA TYR 650 7.365 -5.572 -5.573 516 HB2 TYR 650 1HB TYR 650 9.027 -7.575 -7.050 517 HB3 TYR 650 2HB TYR 650 7.493 -7.044 -7.695 518 HD1 TYR 650 HD1 TYR 650 7.134 -4.636 -8.223 519 HD2 TYR 650 HD2 TYR 650 10.959 -6.193 -7.208 520 HE1 TYR 650 HE1 TYR 650 8.193 -2.651 -9.204 521 HE2 TYR 650 HE2 TYR 650 12.032 -4.206 -8.184 522 HH TYR 650 HH TYR 650 10.237 -1.417 -9.107 523 H HIS 651 H HIS 651 8.004 -8.922 -4.671 524 HA HIS 651 HA HIS 651 5.518 -9.974 -5.602 525 HB2 HIS 651 1HB HIS 651 7.547 -11.365 -5.237 526 HB3 HIS 651 2HB HIS 651 7.382 -11.103 -3.505 527 HD1 HIS 651 HD1 HIS 651 6.204 -12.935 -2.333 528 HD2 HIS 651 HD2 HIS 651 5.034 -12.635 -6.309 529 HE1 HIS 651 HE1 HIS 651 4.585 -14.818 -2.705 530 HE2 HIS 651 HE2 HIS 651 4.061 -14.736 -5.166 531 H LEU 652 H LEU 652 6.732 -8.913 -2.457 532 HA LEU 652 HA LEU 652 4.509 -9.638 -0.918 533 HB2 LEU 652 1HB LEU 652 6.478 -7.385 -0.536 534 HB3 LEU 652 2HB LEU 652 5.342 -7.926 0.684 535 HG LEU 652 HG LEU 652 7.499 -9.668 -0.508 536 HD11 LEU 652 1HD1 LEU 652 7.438 -8.175 2.110 537 HD12 LEU 652 2HD1 LEU 652 8.487 -7.827 0.734 538 HD13 LEU 652 3HD1 LEU 652 8.665 -9.343 1.619 539 HD21 LEU 652 3HD2 LEU 652 6.992 -11.126 1.392 540 HD22 LEU 652 1HD2 LEU 652 5.584 -10.905 0.354 541 HD23 LEU 652 2HD2 LEU 652 5.696 -10.035 1.884 542 H LEU 653 H LEU 653 5.315 -6.518 -2.415 543 HA LEU 653 HA LEU 653 2.986 -5.186 -1.594 544 HB2 LEU 653 1HB LEU 653 4.885 -4.713 -3.878 545 HB3 LEU 653 2HB LEU 653 3.513 -3.662 -3.575 546 HG LEU 653 HG LEU 653 5.405 -4.182 -1.332 547 HD11 LEU 653 1HD1 LEU 653 6.947 -3.707 -3.084 548 HD12 LEU 653 2HD1 LEU 653 6.751 -2.235 -2.134 549 HD13 LEU 653 3HD1 LEU 653 5.938 -2.397 -3.692 550 HD21 LEU 653 3HD2 LEU 653 4.813 -1.903 -0.745 551 HD22 LEU 653 1HD2 LEU 653 3.351 -2.856 -1.007 552 HD23 LEU 653 2HD2 LEU 653 3.907 -1.726 -2.246 553 H ALA 654 H ALA 654 3.734 -6.918 -4.616 554 HA ALA 654 HA ALA 654 1.347 -6.316 -5.969 555 HB1 ALA 654 3HB ALA 654 1.925 -8.154 -7.449 556 HB2 ALA 654 1HB ALA 654 3.094 -8.754 -6.274 557 HB3 ALA 654 2HB ALA 654 3.356 -7.198 -7.062 558 H GLU 655 H GLU 655 2.213 -9.186 -4.054 559 HA GLU 655 HA GLU 655 -0.233 -10.549 -4.441 560 HB2 GLU 655 1HB GLU 655 1.552 -11.896 -3.636 561 HB3 GLU 655 2HB GLU 655 1.869 -10.794 -2.290 562 HG2 GLU 655 1HG GLU 655 -0.324 -11.447 -1.341 563 HG3 GLU 655 2HG GLU 655 -0.495 -12.618 -2.645 564 H LYS 656 H LYS 656 0.865 -8.297 -1.997 565 HA LYS 656 HA LYS 656 -1.339 -8.377 -0.271 566 HB2 LYS 656 1HB LYS 656 0.715 -7.336 0.395 567 HB3 LYS 656 2HB LYS 656 0.632 -6.199 -0.940 568 HG2 LYS 656 1HG LYS 656 -1.571 -5.437 0.165 569 HG3 LYS 656 2HG LYS 656 -0.936 -6.253 1.596 570 HD2 LYS 656 1HD LYS 656 -0.353 -3.896 1.643 571 HD3 LYS 656 2HD LYS 656 1.100 -4.880 1.448 572 HE2 LYS 656 1HE LYS 656 1.073 -2.891 -0.021 573 HE3 LYS 656 2HE LYS 656 1.161 -4.402 -0.918 574 HZ1 LYS 656 3HZ LYS 656 -1.200 -4.245 -1.363 575 HZ2 LYS 656 1HZ LYS 656 -0.412 -2.850 -1.905 576 HZ3 LYS 656 2HZ LYS 656 -1.307 -2.813 -0.472 577 H ILE 657 H ILE 657 -0.699 -6.363 -3.136 578 HA ILE 657 HA ILE 657 -2.976 -4.719 -2.948 579 HB ILE 657 HB ILE 657 -1.462 -5.592 -5.432 580 HG12 ILE 657 1HG1 ILE 657 -1.324 -3.029 -3.821 581 HG13 ILE 657 2HG1 ILE 657 -0.150 -4.338 -3.735 582 HG21 ILE 657 1HG2 ILE 657 -2.496 -3.677 -6.544 583 HG22 ILE 657 2HG2 ILE 657 -3.443 -3.337 -5.097 584 HG23 ILE 657 3HG2 ILE 657 -3.718 -4.828 -5.999 585 HD11 ILE 657 3HD1 ILE 657 0.651 -2.513 -5.122 586 HD12 ILE 657 1HD1 ILE 657 -0.760 -2.674 -6.167 587 HD13 ILE 657 2HD1 ILE 657 0.424 -3.978 -6.076 588 H TYR 658 H TYR 658 -2.474 -7.798 -4.632 589 HA TYR 658 HA TYR 658 -5.034 -7.975 -5.765 590 HB2 TYR 658 1HB TYR 658 -3.003 -9.431 -6.317 591 HB3 TYR 658 2HB TYR 658 -3.447 -10.396 -4.912 592 HD1 TYR 658 HD1 TYR 658 -5.888 -8.843 -7.246 593 HD2 TYR 658 HD2 TYR 658 -3.920 -12.434 -6.051 594 HE1 TYR 658 HE1 TYR 658 -7.440 -10.153 -8.617 595 HE2 TYR 658 HE2 TYR 658 -5.474 -13.738 -7.424 596 HH TYR 658 HH TYR 658 -7.436 -12.403 -9.766 597 H LYS 659 H LYS 659 -3.851 -8.921 -2.557 598 HA LYS 659 HA LYS 659 -6.067 -10.345 -1.653 599 HB2 LYS 659 1HB LYS 659 -4.107 -8.559 -0.226 600 HB3 LYS 659 2HB LYS 659 -5.414 -9.350 0.641 601 HG2 LYS 659 1HG LYS 659 -3.357 -10.810 -1.000 602 HG3 LYS 659 2HG LYS 659 -3.235 -10.540 0.740 603 HD2 LYS 659 1HD LYS 659 -5.327 -11.758 1.080 604 HD3 LYS 659 2HD LYS 659 -5.469 -12.012 -0.659 605 HE2 LYS 659 1HE LYS 659 -4.599 -14.005 0.377 606 HE3 LYS 659 2HE LYS 659 -3.351 -13.269 -0.619 607 HZ1 LYS 659 3HZ LYS 659 -2.406 -12.296 1.410 608 HZ2 LYS 659 1HZ LYS 659 -2.427 -13.986 1.462 609 HZ3 LYS 659 2HZ LYS 659 -3.570 -13.102 2.336 610 H ILE 660 H ILE 660 -5.480 -6.851 -1.576 611 HA ILE 660 HA ILE 660 -7.948 -6.153 -0.402 612 HB ILE 660 HB ILE 660 -5.706 -4.721 -1.566 613 HG12 ILE 660 1HG1 ILE 660 -7.806 -4.026 0.485 614 HG13 ILE 660 2HG1 ILE 660 -6.245 -4.775 0.802 615 HG21 ILE 660 1HG2 ILE 660 -7.210 -3.883 -3.243 616 HG22 ILE 660 2HG2 ILE 660 -6.980 -2.618 -2.042 617 HG23 ILE 660 3HG2 ILE 660 -8.460 -3.575 -2.039 618 HD11 ILE 660 3HD1 ILE 660 -6.675 -2.019 -0.315 619 HD12 ILE 660 1HD1 ILE 660 -5.117 -2.763 0.037 620 HD13 ILE 660 2HD1 ILE 660 -6.242 -2.406 1.348 621 H GLN 661 H GLN 661 -7.005 -6.724 -3.742 622 HA GLN 661 HA GLN 661 -9.363 -5.592 -4.886 623 HB2 GLN 661 1HB GLN 661 -7.419 -7.600 -6.062 624 HB3 GLN 661 2HB GLN 661 -8.752 -6.875 -6.944 625 HG2 GLN 661 1HG GLN 661 -7.744 -4.624 -6.460 626 HG3 GLN 661 2HG GLN 661 -6.342 -5.467 -5.805 627 HE21 GLN 661 1HE2 GLN 661 -6.487 -3.665 -8.046 628 HE22 GLN 661 2HE2 GLN 661 -5.916 -4.546 -9.420 629 H LYS 662 H LYS 662 -8.425 -8.776 -3.768 630 HA LYS 662 HA LYS 662 -10.669 -10.221 -4.638 631 HB2 LYS 662 1HB LYS 662 -8.867 -10.610 -2.245 632 HB3 LYS 662 2HB LYS 662 -10.102 -11.762 -2.728 633 HG2 LYS 662 1HG LYS 662 -8.971 -12.062 -4.879 634 HG3 LYS 662 2HG LYS 662 -7.722 -10.924 -4.370 635 HD2 LYS 662 1HD LYS 662 -7.098 -12.391 -2.538 636 HD3 LYS 662 2HD LYS 662 -8.398 -13.507 -2.961 637 HE2 LYS 662 1HE LYS 662 -7.336 -13.883 -5.146 638 HE3 LYS 662 2HE LYS 662 -6.025 -12.802 -4.683 639 HZ1 LYS 662 3HZ LYS 662 -5.492 -15.171 -4.386 640 HZ2 LYS 662 1HZ LYS 662 -6.730 -15.300 -3.245 641 HZ3 LYS 662 2HZ LYS 662 -5.399 -14.304 -2.937 642 H GLU 663 H GLU 663 -10.029 -8.425 -1.642 643 HA GLU 663 HA GLU 663 -12.450 -8.916 -0.355 644 HB2 GLU 663 1HB GLU 663 -10.425 -6.737 -0.224 645 HB3 GLU 663 2HB GLU 663 -11.957 -6.532 0.618 646 HG2 GLU 663 1HG GLU 663 -10.781 -9.132 1.088 647 HG3 GLU 663 2HG GLU 663 -9.722 -7.815 1.564 648 H LEU 664 H LEU 664 -11.574 -6.326 -2.636 649 HA LEU 664 HA LEU 664 -13.982 -4.897 -2.450 650 HB2 LEU 664 1HB LEU 664 -12.028 -5.109 -4.741 651 HB3 LEU 664 2HB LEU 664 -13.354 -3.960 -4.683 652 HG LEU 664 HG LEU 664 -11.076 -4.055 -2.702 653 HD11 LEU 664 1HD1 LEU 664 -10.321 -1.999 -3.796 654 HD12 LEU 664 2HD1 LEU 664 -11.598 -2.173 -5.001 655 HD13 LEU 664 3HD1 LEU 664 -10.304 -3.368 -4.907 656 HD21 LEU 664 3HD2 LEU 664 -11.965 -1.873 -1.994 657 HD22 LEU 664 1HD2 LEU 664 -13.115 -3.182 -1.726 658 HD23 LEU 664 2HD2 LEU 664 -13.328 -2.087 -3.091 659 H GLU 665 H GLU 665 -13.002 -7.497 -4.681 660 HA GLU 665 HA GLU 665 -15.394 -7.458 -6.182 661 HB2 GLU 665 1HB GLU 665 -13.290 -9.561 -5.743 662 HB3 GLU 665 2HB GLU 665 -14.708 -9.865 -6.739 663 HG2 GLU 665 1HG GLU 665 -12.673 -7.694 -7.186 664 HG3 GLU 665 2HG GLU 665 -12.791 -9.207 -8.084 665 H GLU 666 H GLU 666 -14.362 -9.436 -3.430 666 HA GLU 666 HA GLU 666 -16.590 -11.115 -3.344 667 HB2 GLU 666 1HB GLU 666 -14.419 -11.430 -2.127 668 HB3 GLU 666 2HB GLU 666 -14.957 -10.224 -0.969 669 HG2 GLU 666 1HG GLU 666 -15.392 -12.345 -0.027 670 HG3 GLU 666 2HG GLU 666 -16.943 -11.669 -0.515 671 H LYS 667 H LYS 667 -16.009 -8.069 -1.542 672 HA LYS 667 HA LYS 667 -18.465 -8.246 -0.144 673 HB2 LYS 667 1HB LYS 667 -18.106 -5.887 0.485 674 HB3 LYS 667 2HB LYS 667 -16.728 -6.916 0.813 675 HG2 LYS 667 1HG LYS 667 -15.687 -6.062 -1.284 676 HG3 LYS 667 2HG LYS 667 -17.028 -4.922 -1.412 677 HD2 LYS 667 1HD LYS 667 -15.368 -3.679 -0.347 678 HD3 LYS 667 2HD LYS 667 -16.386 -4.223 0.984 679 HE2 LYS 667 1HE LYS 667 -13.811 -5.540 0.113 680 HE3 LYS 667 2HE LYS 667 -13.965 -4.425 1.463 681 HZ1 LYS 667 3HZ LYS 667 -15.505 -6.018 2.504 682 HZ2 LYS 667 1HZ LYS 667 -13.960 -6.675 2.263 683 HZ3 LYS 667 2HZ LYS 667 -15.229 -7.101 1.235 684 H ARG 668 H ARG 668 -17.594 -6.687 -3.213 685 HA ARG 668 HA ARG 668 -20.091 -5.367 -3.388 686 HB2 ARG 668 1HB ARG 668 -17.976 -5.803 -5.479 687 HB3 ARG 668 2HB ARG 668 -19.394 -4.785 -5.701 688 HG2 ARG 668 1HG ARG 668 -18.634 -3.387 -3.821 689 HG3 ARG 668 2HG ARG 668 -17.178 -4.370 -3.707 690 HD2 ARG 668 1HD ARG 668 -18.036 -2.740 -6.095 691 HD3 ARG 668 2HD ARG 668 -16.770 -2.308 -4.949 692 HE ARG 668 HE ARG 668 -16.397 -4.849 -6.275 693 HH11 ARG 668 1HH1 ARG 668 -15.752 -1.409 -6.329 694 HH12 ARG 668 2HH1 ARG 668 -14.402 -1.548 -7.407 695 HH21 ARG 668 1HH2 ARG 668 -14.602 -5.041 -7.709 696 HH22 ARG 668 2HH2 ARG 668 -13.749 -3.601 -8.183 697 H ARG 669 H ARG 669 -18.855 -8.338 -4.189 698 HA ARG 669 HA ARG 669 -20.766 -9.302 -6.019 699 HB2 ARG 669 1HB ARG 669 -18.636 -10.412 -5.581 700 HB3 ARG 669 2HB ARG 669 -19.124 -10.722 -3.923 701 HG2 ARG 669 1HG ARG 669 -20.935 -12.179 -4.785 702 HG3 ARG 669 2HG ARG 669 -20.293 -11.941 -6.415 703 HD2 ARG 669 1HD ARG 669 -18.145 -12.861 -5.707 704 HD3 ARG 669 2HD ARG 669 -18.770 -13.082 -4.075 705 HE ARG 669 HE ARG 669 -20.198 -14.439 -6.215 706 HH11 ARG 669 1HH1 ARG 669 -17.871 -14.614 -3.595 707 HH12 ARG 669 2HH1 ARG 669 -17.897 -16.351 -3.527 708 HH21 ARG 669 1HH2 ARG 669 -20.239 -16.725 -6.113 709 HH22 ARG 669 2HH2 ARG 669 -19.252 -17.549 -4.948 710 H SER 670 H SER 670 -20.772 -8.893 -2.569 711 HA SER 670 HA SER 670 -23.068 -10.592 -2.134 712 HB2 SER 670 1HB SER 670 -21.143 -10.348 -0.510 713 HB3 SER 670 2HB SER 670 -21.724 -8.719 -0.173 714 HG SER 670 HG SER 670 -23.597 -9.565 0.660 715 H ARG 671 H ARG 671 -22.925 -7.795 -3.616 716 HA ARG 671 HA ARG 671 -24.625 -6.034 -2.253 717 HB2 ARG 671 1HB ARG 671 -24.887 -4.892 -4.372 718 HB3 ARG 671 2HB ARG 671 -23.212 -5.397 -4.189 719 HG2 ARG 671 1HG ARG 671 -23.678 -7.350 -5.629 720 HG3 ARG 671 2HG ARG 671 -25.317 -6.742 -5.869 721 HD2 ARG 671 1HD ARG 671 -24.478 -4.753 -6.930 722 HD3 ARG 671 2HD ARG 671 -22.816 -5.210 -6.557 723 HE ARG 671 HE ARG 671 -24.565 -6.526 -8.523 724 HH11 ARG 671 1HH1 ARG 671 -21.397 -5.990 -7.152 725 HH12 ARG 671 2HH1 ARG 671 -20.554 -6.741 -8.468 726 HH21 ARG 671 1HH2 ARG 671 -23.455 -7.543 -10.256 727 HH22 ARG 671 2HH2 ARG 671 -21.721 -7.619 -10.233 728 H LEU 672 H LEU 672 -26.821 -5.432 -2.882 729 HA LEU 672 HA LEU 672 -28.493 -7.774 -3.226 730 HB2 LEU 672 1HB LEU 672 -29.188 -4.861 -2.774 731 HB3 LEU 672 2HB LEU 672 -30.366 -6.157 -2.838 732 HG LEU 672 HG LEU 672 -28.172 -5.883 -0.778 733 HD11 LEU 672 1HD1 LEU 672 -31.147 -5.444 -0.559 734 HD12 LEU 672 2HD1 LEU 672 -29.908 -4.189 -0.532 735 HD13 LEU 672 3HD1 LEU 672 -29.989 -5.377 0.768 736 HD21 LEU 672 3HD2 LEU 672 -29.366 -7.712 0.364 737 HD22 LEU 672 1HD2 LEU 672 -28.699 -8.209 -1.191 738 HD23 LEU 672 2HD2 LEU 672 -30.423 -7.874 -1.038 739 H1 ASP 840 1H ASP 840 2.900 -14.101 10.007 740 HA ASP 840 HA ASP 840 2.469 -13.766 7.123 741 HB2 ASP 840 1HB ASP 840 0.433 -13.970 9.370 742 HB3 ASP 840 2HB ASP 840 0.040 -13.782 7.660 743 H ALA 841 H ALA 841 3.976 -11.821 8.055 744 HA ALA 841 HA ALA 841 2.350 -9.635 9.071 745 HB1 ALA 841 3HB ALA 841 5.313 -9.752 8.524 746 HB2 ALA 841 1HB ALA 841 4.541 -10.054 10.081 747 HB3 ALA 841 2HB ALA 841 4.459 -8.451 9.352 748 H GLY 842 H GLY 842 1.423 -8.218 7.790 749 HA2 GLY 842 1HA GLY 842 1.158 -6.668 6.127 750 HA3 GLY 842 2HA GLY 842 2.809 -6.988 5.607 751 H ASN 843 H ASN 843 -0.354 -8.510 5.688 752 HA ASN 843 HA ASN 843 0.114 -9.465 2.947 753 HB2 ASN 843 1HB ASN 843 -1.168 -10.914 5.255 754 HB3 ASN 843 2HB ASN 843 -1.398 -11.418 3.585 755 HD21 ASN 843 1HD2 ASN 843 1.380 -10.594 2.899 756 HD22 ASN 843 2HD2 ASN 843 2.385 -11.840 3.534 757 H ILE 844 H ILE 844 -2.652 -9.308 5.182 758 HA ILE 844 HA ILE 844 -4.235 -8.230 2.948 759 HB ILE 844 HB ILE 844 -5.445 -9.322 5.492 760 HG12 ILE 844 1HG1 ILE 844 -4.708 -10.865 2.986 761 HG13 ILE 844 2HG1 ILE 844 -4.008 -11.093 4.584 762 HG21 ILE 844 1HG2 ILE 844 -6.476 -9.068 2.665 763 HG22 ILE 844 2HG2 ILE 844 -6.876 -7.998 4.008 764 HG23 ILE 844 3HG2 ILE 844 -7.384 -9.688 4.044 765 HD11 ILE 844 3HD1 ILE 844 -5.610 -12.832 4.094 766 HD12 ILE 844 1HD1 ILE 844 -6.863 -11.629 3.798 767 HD13 ILE 844 2HD1 ILE 844 -6.196 -11.826 5.418 768 H LEU 845 H LEU 845 -5.514 -6.379 3.245 769 HA LEU 845 HA LEU 845 -4.647 -4.702 5.485 770 HB2 LEU 845 1HB LEU 845 -5.914 -3.917 2.854 771 HB3 LEU 845 2HB LEU 845 -5.403 -2.801 4.104 772 HG LEU 845 HG LEU 845 -3.056 -3.924 3.743 773 HD11 LEU 845 1HD1 LEU 845 -4.350 -4.412 1.060 774 HD12 LEU 845 2HD1 LEU 845 -3.879 -5.663 2.214 775 HD13 LEU 845 3HD1 LEU 845 -2.651 -4.639 1.475 776 HD21 LEU 845 3HD2 LEU 845 -4.232 -1.975 1.767 777 HD22 LEU 845 1HD2 LEU 845 -2.516 -2.221 2.083 778 HD23 LEU 845 2HD2 LEU 845 -3.560 -1.572 3.345 779 HA PRO 846 HA PRO 846 -8.433 -4.782 7.643 780 HB2 PRO 846 1HB PRO 846 -8.473 -1.809 7.469 781 HB3 PRO 846 2HB PRO 846 -8.600 -2.855 8.885 782 HG2 PRO 846 1HG PRO 846 -6.340 -1.558 8.354 783 HG3 PRO 846 2HG PRO 846 -6.315 -3.211 8.992 784 HD2 PRO 846 1HD PRO 846 -5.796 -2.239 6.225 785 HD3 PRO 846 2HD PRO 846 -5.054 -3.588 7.107 786 H SER 847 H SER 847 -10.387 -5.207 7.012 787 HA SER 847 HA SER 847 -11.530 -4.641 4.554 788 HB2 SER 847 1HB SER 847 -12.918 -5.304 7.156 789 HB3 SER 847 2HB SER 847 -13.618 -5.461 5.545 790 HG SER 847 HG SER 847 -11.789 -6.917 5.096 791 H ASP 848 H ASP 848 -11.697 -2.897 7.600 792 HA ASP 848 HA ASP 848 -13.869 -1.231 7.142 793 HB2 ASP 848 1HB ASP 848 -12.685 -1.411 9.308 794 HB3 ASP 848 2HB ASP 848 -11.345 -0.484 8.635 795 H ILE 849 H ILE 849 -10.477 -0.721 6.147 796 HA ILE 849 HA ILE 849 -10.886 1.894 5.133 797 HB ILE 849 HB ILE 849 -8.822 -0.011 4.002 798 HG12 ILE 849 1HG1 ILE 849 -8.703 -0.091 6.476 799 HG13 ILE 849 2HG1 ILE 849 -7.294 0.695 5.778 800 HG21 ILE 849 1HG2 ILE 849 -7.537 2.046 3.678 801 HG22 ILE 849 2HG2 ILE 849 -8.851 2.984 4.387 802 HG23 ILE 849 3HG2 ILE 849 -9.098 2.133 2.860 803 HD11 ILE 849 3HD1 ILE 849 -8.080 1.825 7.792 804 HD12 ILE 849 1HD1 ILE 849 -9.643 2.109 7.028 805 HD13 ILE 849 2HD1 ILE 849 -8.191 2.873 6.379 806 H MET 850 H MET 850 -11.157 -1.312 3.748 807 HA MET 850 HA MET 850 -11.761 -0.593 1.100 808 HB2 MET 850 1HB MET 850 -12.704 -2.996 2.681 809 HB3 MET 850 2HB MET 850 -12.785 -2.847 0.934 810 HG2 MET 850 1HG MET 850 -10.158 -2.609 2.329 811 HG3 MET 850 2HG MET 850 -10.874 -4.195 2.065 812 HE1 MET 850 3HE MET 850 -9.312 -1.048 0.609 813 HE2 MET 850 1HE MET 850 -10.712 -0.919 -0.453 814 HE3 MET 850 2HE MET 850 -9.143 -1.368 -1.116 815 H ASP 851 H ASP 851 -13.794 -0.990 3.965 816 HA ASP 851 HA ASP 851 -16.301 -0.656 2.768 817 HB2 ASP 851 1HB ASP 851 -15.312 0.146 5.534 818 HB3 ASP 851 2HB ASP 851 -16.993 0.324 5.032 819 H PHE 852 H PHE 852 -13.890 1.715 3.739 820 HA PHE 852 HA PHE 852 -15.492 4.006 3.589 821 HB2 PHE 852 1HB PHE 852 -13.309 3.989 4.699 822 HB3 PHE 852 2HB PHE 852 -12.511 3.749 3.149 823 HD1 PHE 852 HD1 PHE 852 -15.037 6.095 4.597 824 HD2 PHE 852 HD2 PHE 852 -11.499 5.612 2.278 825 HE1 PHE 852 HE1 PHE 852 -14.902 8.533 4.295 826 HE2 PHE 852 HE2 PHE 852 -11.360 8.048 1.975 827 HZ PHE 852 HZ PHE 852 -13.064 9.513 2.984 828 H VAL 853 H VAL 853 -13.518 2.413 1.077 829 HA VAL 853 HA VAL 853 -13.958 4.431 -0.856 830 HB VAL 853 HB VAL 853 -12.124 2.783 -1.073 831 HG11 VAL 853 1HG1 VAL 853 -12.551 0.578 -2.017 832 HG12 VAL 853 2HG1 VAL 853 -14.287 0.856 -1.894 833 HG13 VAL 853 3HG1 VAL 853 -13.306 0.752 -0.433 834 HG21 VAL 853 3HG2 VAL 853 -12.250 2.563 -3.483 835 HG22 VAL 853 1HG2 VAL 853 -12.887 4.128 -2.982 836 HG23 VAL 853 2HG2 VAL 853 -13.990 2.832 -3.438 837 H LEU 854 H LEU 854 -15.735 1.472 -0.084 838 HA LEU 854 HA LEU 854 -17.683 1.757 -2.111 839 HB2 LEU 854 1HB LEU 854 -17.495 0.239 0.435 840 HB3 LEU 854 2HB LEU 854 -19.098 0.493 -0.221 841 HG LEU 854 HG LEU 854 -18.062 -1.699 -0.827 842 HD11 LEU 854 1HD1 LEU 854 -19.857 -0.634 -2.191 843 HD12 LEU 854 2HD1 LEU 854 -18.800 -1.709 -3.095 844 HD13 LEU 854 3HD1 LEU 854 -18.604 0.030 -3.242 845 HD21 LEU 854 3HD2 LEU 854 -15.754 -0.963 -1.084 846 HD22 LEU 854 1HD2 LEU 854 -16.210 0.001 -2.489 847 HD23 LEU 854 2HD2 LEU 854 -16.336 -1.756 -2.548 848 H LYS 855 H LYS 855 -17.385 3.109 1.130 849 HA LYS 855 HA LYS 855 -20.087 4.114 1.199 850 HB2 LYS 855 1HB LYS 855 -18.947 3.608 3.284 851 HB3 LYS 855 2HB LYS 855 -17.688 4.775 2.918 852 HG2 LYS 855 1HG LYS 855 -19.414 6.576 3.020 853 HG3 LYS 855 2HG LYS 855 -20.589 5.372 3.570 854 HD2 LYS 855 1HD LYS 855 -19.092 4.854 5.471 855 HD3 LYS 855 2HD LYS 855 -18.009 6.141 4.942 856 HE2 LYS 855 1HE LYS 855 -19.824 7.767 5.226 857 HE3 LYS 855 2HE LYS 855 -20.887 6.473 5.776 858 HZ1 LYS 855 3HZ LYS 855 -19.975 7.670 7.641 859 HZ2 LYS 855 1HZ LYS 855 -18.398 7.368 7.115 860 HZ3 LYS 855 2HZ LYS 855 -19.373 6.089 7.634 861 H ASN 856 H ASN 856 -16.901 5.622 0.720 862 HA ASN 856 HA ASN 856 -18.268 8.062 -0.213 863 HB2 ASN 856 1HB ASN 856 -16.555 8.208 1.654 864 HB3 ASN 856 2HB ASN 856 -15.340 7.724 0.480 865 HD21 ASN 856 1HD2 ASN 856 -15.535 10.165 2.026 866 HD22 ASN 856 2HD2 ASN 856 -15.588 11.461 0.885 867 H THR 857 H THR 857 -18.247 8.513 -2.329 868 HA THR 857 HA THR 857 -16.107 7.532 -4.021 869 HB THR 857 HB THR 857 -18.994 6.850 -4.618 870 HG1 THR 857 HG1 THR 857 -17.091 5.551 -3.184 871 HG21 THR 857 1HG2 THR 857 -17.655 7.311 -6.627 872 HG22 THR 857 2HG2 THR 857 -18.088 5.605 -6.514 873 HG23 THR 857 3HG2 THR 857 -16.457 6.131 -6.094 874 HA PRO 858 HA PRO 858 -16.881 11.696 -5.508 875 HB2 PRO 858 1HB PRO 858 -14.947 10.909 -7.593 876 HB3 PRO 858 2HB PRO 858 -14.875 12.245 -6.440 877 HG2 PRO 858 1HG PRO 858 -13.300 10.093 -6.188 878 HG3 PRO 858 2HG PRO 858 -13.962 10.935 -4.775 879 HD2 PRO 858 1HD PRO 858 -14.851 8.378 -6.048 880 HD3 PRO 858 2HD PRO 858 -14.733 8.803 -4.328 Start of MODEL 16 1 H1 GLY 586 1H GLY 586 27.644 -7.457 0.654 2 HA2 GLY 586 1HA GLY 586 25.884 -8.513 1.717 3 HA3 GLY 586 2HA GLY 586 26.841 -9.991 1.726 4 H VAL 587 H VAL 587 26.305 -6.929 3.376 5 HA VAL 587 HA VAL 587 27.274 -8.072 5.872 6 HB VAL 587 HB VAL 587 28.621 -5.998 6.349 7 HG11 VAL 587 1HG1 VAL 587 29.579 -7.730 4.073 8 HG12 VAL 587 2HG1 VAL 587 29.733 -8.083 5.794 9 HG13 VAL 587 3HG1 VAL 587 30.605 -6.720 5.091 10 HG21 VAL 587 3HG2 VAL 587 29.423 -4.670 4.456 11 HG22 VAL 587 1HG2 VAL 587 27.673 -4.551 4.630 12 HG23 VAL 587 2HG2 VAL 587 28.367 -5.574 3.373 13 H ARG 588 H ARG 588 26.760 -6.619 7.717 14 HA ARG 588 HA ARG 588 24.060 -5.751 7.506 15 HB2 ARG 588 1HB ARG 588 24.197 -5.351 9.903 16 HB3 ARG 588 2HB ARG 588 24.974 -6.879 9.518 17 HG2 ARG 588 1HG ARG 588 26.540 -6.057 10.946 18 HG3 ARG 588 2HG ARG 588 27.124 -5.308 9.445 19 HD2 ARG 588 1HD ARG 588 25.969 -3.252 9.997 20 HD3 ARG 588 2HD ARG 588 25.273 -3.997 11.436 21 HE ARG 588 HE ARG 588 28.103 -4.138 11.511 22 HH11 ARG 588 1HH1 ARG 588 25.453 -1.892 11.874 23 HH12 ARG 588 2HH1 ARG 588 26.308 -0.863 12.978 24 HH21 ARG 588 1HH2 ARG 588 29.245 -2.770 12.960 25 HH22 ARG 588 2HH2 ARG 588 28.457 -1.359 13.597 26 H LYS 589 H LYS 589 26.460 -4.177 6.258 27 HA LYS 589 HA LYS 589 25.265 -1.572 6.885 28 HB2 LYS 589 1HB LYS 589 27.354 -1.494 7.967 29 HB3 LYS 589 2HB LYS 589 28.164 -2.317 6.635 30 HG2 LYS 589 1HG LYS 589 27.905 -0.343 5.241 31 HG3 LYS 589 2HG LYS 589 27.018 0.472 6.527 32 HD2 LYS 589 1HD LYS 589 29.297 1.270 6.489 33 HD3 LYS 589 2HD LYS 589 29.030 0.334 7.958 34 HE2 LYS 589 1HE LYS 589 30.172 -0.980 5.522 35 HE3 LYS 589 2HE LYS 589 31.207 -0.012 6.567 36 HZ1 LYS 589 3HZ LYS 589 30.590 -1.430 8.424 37 HZ2 LYS 589 1HZ LYS 589 31.277 -2.340 7.179 38 HZ3 LYS 589 2HZ LYS 589 29.608 -2.366 7.420 39 H GLY 590 H GLY 590 24.373 -0.680 5.114 40 HA2 GLY 590 1HA GLY 590 24.191 -0.013 2.887 41 HA3 GLY 590 2HA GLY 590 25.635 -0.946 2.514 42 H TRP 591 H TRP 591 22.379 -1.607 3.749 43 HA TRP 591 HA TRP 591 22.438 -4.226 2.476 44 HB2 TRP 591 1HB TRP 591 19.970 -3.685 3.833 45 HB3 TRP 591 2HB TRP 591 21.222 -4.848 4.251 46 HD1 TRP 591 HD1 TRP 591 22.758 -4.291 6.284 47 HE1 TRP 591 HE1 TRP 591 22.807 -2.391 8.026 48 HE3 TRP 591 HE3 TRP 591 19.487 -1.066 4.049 49 HZ2 TRP 591 HZ2 TRP 591 21.622 0.154 8.379 50 HZ3 TRP 591 HZ3 TRP 591 19.000 1.078 5.149 51 HH2 TRP 591 HH2 TRP 591 20.047 1.673 7.272 52 H HIS 592 H HIS 592 20.468 -1.276 2.498 53 HA HIS 592 HA HIS 592 18.694 -2.478 0.505 54 HB2 HIS 592 1HB HIS 592 18.309 -0.228 2.462 55 HB3 HIS 592 2HB HIS 592 17.211 -0.475 1.108 56 HD1 HIS 592 HD1 HIS 592 17.685 -1.425 4.550 57 HD2 HIS 592 HD2 HIS 592 16.050 -3.198 1.164 58 HE1 HIS 592 HE1 HIS 592 16.262 -3.308 5.398 59 HE2 HIS 592 HE2 HIS 592 15.085 -4.183 3.356 60 H GLU 593 H GLU 593 21.419 -0.825 0.335 61 HA GLU 593 HA GLU 593 20.790 1.619 -0.866 62 HB2 GLU 593 1HB GLU 593 23.130 1.680 -1.563 63 HB3 GLU 593 2HB GLU 593 22.961 1.163 0.107 64 HG2 GLU 593 1HG GLU 593 23.285 -1.165 -0.593 65 HG3 GLU 593 2HG GLU 593 23.497 -0.621 -2.254 66 H HIS 594 H HIS 594 21.030 -1.610 -2.288 67 HA HIS 594 HA HIS 594 20.894 -0.668 -4.971 68 HB2 HIS 594 1HB HIS 594 20.349 -3.004 -5.565 69 HB3 HIS 594 2HB HIS 594 21.764 -2.891 -4.518 70 HD1 HIS 594 HD1 HIS 594 21.674 -4.123 -2.310 71 HD2 HIS 594 HD2 HIS 594 18.032 -4.119 -4.310 72 HE1 HIS 594 HE1 HIS 594 20.226 -5.758 -1.076 73 HE2 HIS 594 HE2 HIS 594 18.143 -5.938 -2.470 74 H VAL 595 H VAL 595 18.881 0.296 -2.986 75 HA VAL 595 HA VAL 595 16.594 0.113 -4.809 76 HB VAL 595 HB VAL 595 16.474 -0.075 -1.793 77 HG11 VAL 595 1HG1 VAL 595 14.738 1.433 -2.424 78 HG12 VAL 595 2HG1 VAL 595 13.988 -0.129 -2.097 79 HG13 VAL 595 3HG1 VAL 595 14.239 0.400 -3.762 80 HG21 VAL 595 3HG2 VAL 595 16.865 -2.210 -2.909 81 HG22 VAL 595 1HG2 VAL 595 15.428 -1.955 -3.900 82 HG23 VAL 595 2HG2 VAL 595 15.271 -2.157 -2.154 83 H THR 596 H THR 596 15.816 2.141 -5.279 84 HA THR 596 HA THR 596 17.038 4.380 -3.879 85 HB THR 596 HB THR 596 17.096 4.572 -6.265 86 HG1 THR 596 HG1 THR 596 16.444 6.600 -6.313 87 HG21 THR 596 1HG2 THR 596 14.103 4.231 -6.241 88 HG22 THR 596 2HG2 THR 596 15.271 3.049 -6.811 89 HG23 THR 596 3HG2 THR 596 15.089 4.582 -7.658 90 H GLN 597 H GLN 597 15.710 6.192 -3.127 91 HA GLN 597 HA GLN 597 13.611 5.318 -1.440 92 HB2 GLN 597 1HB GLN 597 15.047 7.239 -0.888 93 HB3 GLN 597 2HB GLN 597 14.391 8.125 -2.255 94 HG2 GLN 597 1HG GLN 597 13.403 8.857 -0.160 95 HG3 GLN 597 2HG GLN 597 12.196 8.142 -1.226 96 HE21 GLN 597 1HE2 GLN 597 11.238 6.206 -0.660 97 HE22 GLN 597 2HE2 GLN 597 11.350 5.547 0.927 98 H ASP 598 H ASP 598 13.743 6.959 -4.529 99 HA ASP 598 HA ASP 598 11.070 7.656 -4.853 100 HB2 ASP 598 1HB ASP 598 12.860 8.378 -6.384 101 HB3 ASP 598 2HB ASP 598 12.992 6.737 -6.999 102 H LEU 599 H LEU 599 12.691 4.577 -5.505 103 HA LEU 599 HA LEU 599 10.613 3.196 -6.689 104 HB2 LEU 599 1HB LEU 599 13.018 2.428 -6.306 105 HB3 LEU 599 2HB LEU 599 12.520 1.970 -4.686 106 HG LEU 599 HG LEU 599 10.833 0.441 -5.677 107 HD11 LEU 599 1HD1 LEU 599 11.053 -0.099 -8.076 108 HD12 LEU 599 2HD1 LEU 599 12.151 1.274 -8.247 109 HD13 LEU 599 3HD1 LEU 599 10.475 1.539 -7.777 110 HD21 LEU 599 3HD2 LEU 599 12.458 -1.233 -6.500 111 HD22 LEU 599 1HD2 LEU 599 12.961 -0.464 -4.996 112 HD23 LEU 599 2HD2 LEU 599 13.698 0.022 -6.522 113 H ARG 600 H ARG 600 11.388 3.504 -3.237 114 HA ARG 600 HA ARG 600 9.259 1.890 -2.338 115 HB2 ARG 600 1HB ARG 600 10.854 4.012 -0.901 116 HB3 ARG 600 2HB ARG 600 9.685 2.959 -0.113 117 HG2 ARG 600 1HG ARG 600 11.084 1.042 -1.143 118 HG3 ARG 600 2HG ARG 600 12.332 2.277 -1.315 119 HD2 ARG 600 1HD ARG 600 10.927 1.720 1.284 120 HD3 ARG 600 2HD ARG 600 12.397 0.881 0.799 121 HE ARG 600 HE ARG 600 13.327 3.274 0.638 122 HH11 ARG 600 1HH1 ARG 600 10.856 2.301 2.920 123 HH12 ARG 600 2HH1 ARG 600 11.454 3.323 4.189 124 HH21 ARG 600 1HH2 ARG 600 14.105 4.628 2.306 125 HH22 ARG 600 2HH2 ARG 600 13.281 4.668 3.831 126 H SER 601 H SER 601 9.531 5.405 -2.764 127 HA SER 601 HA SER 601 7.029 5.999 -1.578 128 HB2 SER 601 1HB SER 601 7.297 8.195 -2.834 129 HB3 SER 601 2HB SER 601 8.611 7.771 -1.738 130 HG SER 601 HG SER 601 9.668 8.294 -3.540 131 H HIS 602 H HIS 602 8.073 5.340 -4.884 132 HA HIS 602 HA HIS 602 5.675 5.763 -6.245 133 HB2 HIS 602 1HB HIS 602 7.913 5.166 -7.282 134 HB3 HIS 602 2HB HIS 602 7.586 3.490 -6.843 135 HD1 HIS 602 HD1 HIS 602 6.557 2.164 -8.651 136 HD2 HIS 602 HD2 HIS 602 5.655 6.210 -8.992 137 HE1 HIS 602 HE1 HIS 602 5.209 2.380 -10.757 138 HE2 HIS 602 HE2 HIS 602 4.561 4.810 -10.873 139 H LEU 603 H LEU 603 6.853 2.851 -4.620 140 HA LEU 603 HA LEU 603 4.663 1.203 -5.212 141 HB2 LEU 603 1HB LEU 603 6.468 1.045 -2.799 142 HB3 LEU 603 2HB LEU 603 5.477 -0.243 -3.449 143 HG LEU 603 HG LEU 603 7.717 1.035 -5.011 144 HD11 LEU 603 1HD1 LEU 603 7.797 -1.525 -3.431 145 HD12 LEU 603 2HD1 LEU 603 8.594 -0.022 -2.974 146 HD13 LEU 603 3HD1 LEU 603 9.085 -0.870 -4.440 147 HD21 LEU 603 3HD2 LEU 603 6.185 -1.535 -5.377 148 HD22 LEU 603 1HD2 LEU 603 7.531 -0.987 -6.376 149 HD23 LEU 603 2HD2 LEU 603 6.020 -0.076 -6.354 150 H VAL 604 H VAL 604 5.220 3.486 -2.597 151 HA VAL 604 HA VAL 604 3.085 2.633 -0.934 152 HB VAL 604 HB VAL 604 4.528 5.284 -1.111 153 HG11 VAL 604 1HG1 VAL 604 2.262 5.640 -0.249 154 HG12 VAL 604 2HG1 VAL 604 3.472 5.872 1.012 155 HG13 VAL 604 3HG1 VAL 604 2.525 4.384 0.961 156 HG21 VAL 604 3HG2 VAL 604 4.660 3.058 0.919 157 HG22 VAL 604 1HG2 VAL 604 5.580 4.560 0.966 158 HG23 VAL 604 2HG2 VAL 604 5.867 3.391 -0.324 159 H HIS 605 H HIS 605 3.372 5.242 -3.350 160 HA HIS 605 HA HIS 605 0.706 6.167 -3.027 161 HB2 HIS 605 1HB HIS 605 2.560 6.468 -5.399 162 HB3 HIS 605 2HB HIS 605 1.055 7.354 -5.170 163 HD1 HIS 605 HD1 HIS 605 4.271 8.269 -5.192 164 HD2 HIS 605 HD2 HIS 605 1.488 8.361 -2.102 165 HE1 HIS 605 HE1 HIS 605 5.115 9.997 -3.570 166 HE2 HIS 605 HE2 HIS 605 3.456 9.985 -1.673 167 H LYS 606 H LYS 606 2.238 3.858 -5.184 168 HA LYS 606 HA LYS 606 0.045 3.343 -6.857 169 HB2 LYS 606 1HB LYS 606 2.433 2.659 -7.242 170 HB3 LYS 606 2HB LYS 606 2.204 1.392 -6.046 171 HG2 LYS 606 1HG LYS 606 0.548 0.323 -7.412 172 HG3 LYS 606 2HG LYS 606 0.592 1.654 -8.573 173 HD2 LYS 606 1HD LYS 606 2.931 1.136 -9.073 174 HD3 LYS 606 2HD LYS 606 2.887 -0.190 -7.912 175 HE2 LYS 606 1HE LYS 606 1.234 0.045 -10.422 176 HE3 LYS 606 2HE LYS 606 2.617 -1.021 -10.184 177 HZ1 LYS 606 3HZ LYS 606 0.605 -2.258 -9.895 178 HZ2 LYS 606 1HZ LYS 606 0.013 -1.150 -8.764 179 HZ3 LYS 606 2HZ LYS 606 1.352 -2.110 -8.386 180 H LEU 607 H LEU 607 1.040 1.917 -3.780 181 HA LEU 607 HA LEU 607 -0.977 -0.045 -3.620 182 HB2 LEU 607 1HB LEU 607 1.132 0.190 -2.213 183 HB3 LEU 607 2HB LEU 607 0.278 1.409 -1.292 184 HG LEU 607 HG LEU 607 -0.855 -1.361 -1.577 185 HD11 LEU 607 1HD1 LEU 607 1.432 -1.625 -0.775 186 HD12 LEU 607 2HD1 LEU 607 0.268 -1.961 0.507 187 HD13 LEU 607 3HD1 LEU 607 1.137 -0.427 0.485 188 HD21 LEU 607 3HD2 LEU 607 -1.879 -0.807 0.576 189 HD22 LEU 607 1HD2 LEU 607 -2.310 0.371 -0.663 190 HD23 LEU 607 2HD2 LEU 607 -1.091 0.768 0.547 191 H VAL 608 H VAL 608 -0.830 3.296 -2.370 192 HA VAL 608 HA VAL 608 -3.399 3.530 -1.351 193 HB VAL 608 HB VAL 608 -1.767 5.602 -2.835 194 HG11 VAL 608 1HG1 VAL 608 -3.129 7.289 -1.775 195 HG12 VAL 608 2HG1 VAL 608 -4.074 6.054 -0.950 196 HG13 VAL 608 3HG1 VAL 608 -4.163 6.203 -2.705 197 HG21 VAL 608 3HG2 VAL 608 -1.142 6.364 -0.583 198 HG22 VAL 608 1HG2 VAL 608 -0.615 4.710 -0.897 199 HG23 VAL 608 2HG2 VAL 608 -2.033 5.008 0.109 200 H GLN 609 H GLN 609 -2.265 4.045 -4.661 201 HA GLN 609 HA GLN 609 -4.637 4.781 -5.897 202 HB2 GLN 609 1HB GLN 609 -2.484 4.897 -7.012 203 HB3 GLN 609 2HB GLN 609 -2.327 3.149 -6.965 204 HG2 GLN 609 1HG GLN 609 -4.288 2.963 -8.445 205 HG3 GLN 609 2HG GLN 609 -4.350 4.723 -8.540 206 HE21 GLN 609 1HE2 GLN 609 -2.757 5.824 -9.672 207 HE22 GLN 609 2HE2 GLN 609 -1.692 5.032 -10.774 208 H ALA 610 H ALA 610 -3.383 1.553 -5.196 209 HA ALA 610 HA ALA 610 -5.338 0.052 -6.516 210 HB1 ALA 610 3HB ALA 610 -3.262 -0.899 -5.644 211 HB2 ALA 610 1HB ALA 610 -4.675 -1.785 -5.070 212 HB3 ALA 610 2HB ALA 610 -3.845 -0.657 -3.997 213 H ILE 611 H ILE 611 -5.316 1.459 -3.269 214 HA ILE 611 HA ILE 611 -7.773 0.156 -2.532 215 HB ILE 611 HB ILE 611 -6.293 2.441 -1.133 216 HG12 ILE 611 1HG1 ILE 611 -6.281 -0.407 -0.104 217 HG13 ILE 611 2HG1 ILE 611 -5.124 0.116 -1.339 218 HG21 ILE 611 1HG2 ILE 611 -7.570 2.032 0.839 219 HG22 ILE 611 2HG2 ILE 611 -8.394 0.661 0.107 220 HG23 ILE 611 3HG2 ILE 611 -8.688 2.295 -0.497 221 HD11 ILE 611 3HD1 ILE 611 -5.494 1.319 1.395 222 HD12 ILE 611 1HD1 ILE 611 -4.332 1.861 0.185 223 HD13 ILE 611 2HD1 ILE 611 -4.185 0.251 0.889 224 H PHE 612 H PHE 612 -6.883 3.153 -4.032 225 HA PHE 612 HA PHE 612 -9.692 3.887 -4.229 226 HB2 PHE 612 1HB PHE 612 -8.547 4.950 -2.140 227 HB3 PHE 612 2HB PHE 612 -7.747 5.983 -3.314 228 HD1 PHE 612 HD2 PHE 612 -11.240 4.708 -3.249 229 HD2 PHE 612 HD1 PHE 612 -8.658 8.072 -3.030 230 HE1 PHE 612 HE2 PHE 612 -13.191 6.194 -3.232 231 HE2 PHE 612 HE1 PHE 612 -10.606 9.568 -3.009 232 HZ PHE 612 HZ PHE 612 -12.879 8.633 -3.118 233 HA PRO 613 HA PRO 613 -7.292 4.672 -8.057 234 HB2 PRO 613 1HB PRO 613 -9.216 3.862 -9.815 235 HB3 PRO 613 2HB PRO 613 -8.120 2.740 -9.006 236 HG2 PRO 613 1HG PRO 613 -10.977 3.345 -8.434 237 HG3 PRO 613 2HG PRO 613 -10.094 1.819 -8.262 238 HD2 PRO 613 1HD PRO 613 -10.770 3.543 -6.172 239 HD3 PRO 613 2HD PRO 613 -9.500 2.294 -6.119 240 H THR 614 H THR 614 -10.713 5.547 -7.508 241 HA THR 614 HA THR 614 -10.876 7.499 -9.490 242 HB THR 614 HB THR 614 -12.831 8.377 -8.166 243 HG1 THR 614 HG1 THR 614 -12.732 7.896 -6.106 244 HG21 THR 614 1HG2 THR 614 -12.729 5.391 -8.651 245 HG22 THR 614 2HG2 THR 614 -13.114 6.625 -9.849 246 HG23 THR 614 3HG2 THR 614 -14.194 6.358 -8.482 247 HA PRO 615 HA PRO 615 -8.662 10.865 -7.450 248 HB2 PRO 615 1HB PRO 615 -9.136 12.428 -9.838 249 HB3 PRO 615 2HB PRO 615 -7.614 11.713 -9.279 250 HG2 PRO 615 1HG PRO 615 -8.917 10.863 -11.538 251 HG3 PRO 615 2HG PRO 615 -7.863 9.812 -10.561 252 HD2 PRO 615 1HD PRO 615 -10.869 10.055 -10.534 253 HD3 PRO 615 2HD PRO 615 -9.870 8.580 -10.521 254 H ASP 616 H ASP 616 -10.702 10.941 -6.120 255 HA ASP 616 HA ASP 616 -12.724 12.842 -6.989 256 HB2 ASP 616 1HB ASP 616 -12.416 11.227 -4.433 257 HB3 ASP 616 2HB ASP 616 -13.723 12.369 -4.684 258 HA PRO 617 HA PRO 617 -10.168 16.240 -5.567 259 HB2 PRO 617 1HB PRO 617 -12.275 18.099 -5.623 260 HB3 PRO 617 2HB PRO 617 -11.185 17.722 -6.965 261 HG2 PRO 617 1HG PRO 617 -13.928 16.689 -6.390 262 HG3 PRO 617 2HG PRO 617 -13.191 17.128 -7.946 263 HD2 PRO 617 1HD PRO 617 -13.459 14.579 -7.252 264 HD3 PRO 617 2HD PRO 617 -11.984 15.135 -8.094 265 H ALA 618 H ALA 618 -13.347 15.503 -4.149 266 HA ALA 618 HA ALA 618 -12.930 17.074 -1.811 267 HB1 ALA 618 3HB ALA 618 -14.867 15.903 -0.909 268 HB2 ALA 618 1HB ALA 618 -14.797 14.740 -2.235 269 HB3 ALA 618 2HB ALA 618 -15.171 16.433 -2.564 270 H ALA 619 H ALA 619 -12.766 13.586 -2.437 271 HA ALA 619 HA ALA 619 -11.837 12.759 0.043 272 HB1 ALA 619 3HB ALA 619 -12.682 11.241 -1.680 273 HB2 ALA 619 1HB ALA 619 -11.109 10.727 -1.075 274 HB3 ALA 619 2HB ALA 619 -11.234 11.529 -2.640 275 H LEU 620 H LEU 620 -10.084 14.100 -2.677 276 HA LEU 620 HA LEU 620 -7.472 13.412 -1.949 277 HB2 LEU 620 1HB LEU 620 -8.689 14.974 -3.917 278 HB3 LEU 620 2HB LEU 620 -7.661 16.095 -3.050 279 HG LEU 620 HG LEU 620 -6.495 15.197 -4.977 280 HD11 LEU 620 1HD1 LEU 620 -5.162 15.713 -3.003 281 HD12 LEU 620 2HD1 LEU 620 -4.483 14.353 -3.896 282 HD13 LEU 620 3HD1 LEU 620 -5.389 14.068 -2.411 283 HD21 LEU 620 3HD2 LEU 620 -5.956 12.827 -5.158 284 HD22 LEU 620 1HD2 LEU 620 -7.701 13.088 -5.183 285 HD23 LEU 620 2HD2 LEU 620 -6.918 12.491 -3.720 286 H LYS 621 H LYS 621 -9.572 16.013 -0.871 287 HA LYS 621 HA LYS 621 -7.471 16.974 0.948 288 HB2 LYS 621 1HB LYS 621 -10.131 18.252 0.244 289 HB3 LYS 621 2HB LYS 621 -8.840 18.982 1.195 290 HG2 LYS 621 1HG LYS 621 -8.604 18.185 -1.700 291 HG3 LYS 621 2HG LYS 621 -8.941 19.816 -1.121 292 HD2 LYS 621 1HD LYS 621 -6.803 19.856 0.046 293 HD3 LYS 621 2HD LYS 621 -6.471 18.206 -0.483 294 HE2 LYS 621 1HE LYS 621 -5.292 19.822 -1.875 295 HE3 LYS 621 2HE LYS 621 -6.497 18.940 -2.811 296 HZ1 LYS 621 3HZ LYS 621 -6.874 21.666 -1.695 297 HZ2 LYS 621 1HZ LYS 621 -7.971 20.825 -2.667 298 HZ3 LYS 621 2HZ LYS 621 -6.486 21.319 -3.303 299 H ASP 622 H ASP 622 -9.383 14.558 1.190 300 HA ASP 622 HA ASP 622 -10.747 15.281 3.686 301 HB2 ASP 622 1HB ASP 622 -12.047 14.110 1.891 302 HB3 ASP 622 2HB ASP 622 -10.987 12.717 2.065 303 H ARG 623 H ARG 623 -10.065 14.603 5.598 304 HA ARG 623 HA ARG 623 -7.562 13.524 6.070 305 HB2 ARG 623 1HB ARG 623 -10.014 13.595 7.820 306 HB3 ARG 623 2HB ARG 623 -8.439 13.065 8.390 307 HG2 ARG 623 1HG ARG 623 -9.078 15.798 7.289 308 HG3 ARG 623 2HG ARG 623 -8.885 15.384 8.991 309 HD2 ARG 623 1HD ARG 623 -6.567 14.741 8.580 310 HD3 ARG 623 2HD ARG 623 -6.755 15.124 6.870 311 HE ARG 623 HE ARG 623 -7.436 17.366 8.447 312 HH11 ARG 623 1HH1 ARG 623 -4.649 15.530 7.390 313 HH12 ARG 623 2HH1 ARG 623 -3.565 16.878 7.488 314 HH21 ARG 623 1HH2 ARG 623 -6.006 19.142 8.571 315 HH22 ARG 623 2HH2 ARG 623 -4.336 18.929 8.154 316 H ARG 624 H ARG 624 -10.648 11.862 5.649 317 HA ARG 624 HA ARG 624 -9.970 9.355 6.642 318 HB2 ARG 624 1HB ARG 624 -11.754 8.414 5.468 319 HB3 ARG 624 2HB ARG 624 -12.238 10.089 5.648 320 HG2 ARG 624 1HG ARG 624 -11.880 10.559 3.388 321 HG3 ARG 624 2HG ARG 624 -10.879 9.125 3.155 322 HD2 ARG 624 1HD ARG 624 -12.790 7.669 3.284 323 HD3 ARG 624 2HD ARG 624 -13.820 8.997 3.838 324 HE ARG 624 HE ARG 624 -13.181 9.956 1.500 325 HH11 ARG 624 1HH1 ARG 624 -13.894 6.619 2.287 326 HH12 ARG 624 2HH1 ARG 624 -14.511 6.240 0.709 327 HH21 ARG 624 1HH2 ARG 624 -13.988 9.459 -0.574 328 HH22 ARG 624 2HH2 ARG 624 -14.553 7.854 -0.920 329 H MET 625 H MET 625 -9.134 10.752 3.496 330 HA MET 625 HA MET 625 -8.036 8.415 2.382 331 HB2 MET 625 1HB MET 625 -8.478 10.164 0.863 332 HB3 MET 625 2HB MET 625 -7.556 11.333 1.801 333 HG2 MET 625 1HG MET 625 -5.473 10.263 1.198 334 HG3 MET 625 2HG MET 625 -6.349 8.966 0.380 335 HE1 MET 625 3HE MET 625 -7.498 9.126 -1.867 336 HE2 MET 625 1HE MET 625 -7.736 10.607 -2.797 337 HE3 MET 625 2HE MET 625 -8.606 10.369 -1.283 338 H GLU 626 H GLU 626 -6.701 10.849 4.524 339 HA GLU 626 HA GLU 626 -3.980 10.272 4.272 340 HB2 GLU 626 1HB GLU 626 -5.126 12.223 5.463 341 HB3 GLU 626 2HB GLU 626 -5.364 11.130 6.816 342 HG2 GLU 626 1HG GLU 626 -3.447 12.437 7.274 343 HG3 GLU 626 2HG GLU 626 -2.894 10.808 6.889 344 H ASN 627 H ASN 627 -6.509 8.846 6.275 345 HA ASN 627 HA ASN 627 -4.889 7.247 7.924 346 HB2 ASN 627 1HB ASN 627 -7.761 6.973 7.036 347 HB3 ASN 627 2HB ASN 627 -7.009 5.826 8.138 348 HD21 ASN 627 1HD2 ASN 627 -6.146 9.193 8.230 349 HD22 ASN 627 2HD2 ASN 627 -6.940 9.560 9.718 350 H LEU 628 H LEU 628 -6.535 6.500 4.862 351 HA LEU 628 HA LEU 628 -5.619 3.795 4.811 352 HB2 LEU 628 1HB LEU 628 -6.703 3.565 2.770 353 HB3 LEU 628 2HB LEU 628 -7.639 4.835 3.528 354 HG LEU 628 HG LEU 628 -6.048 6.406 2.108 355 HD11 LEU 628 1HD1 LEU 628 -4.602 4.725 1.199 356 HD12 LEU 628 2HD1 LEU 628 -5.611 5.362 -0.099 357 HD13 LEU 628 3HD1 LEU 628 -5.981 3.794 0.614 358 HD21 LEU 628 3HD2 LEU 628 -8.283 4.847 0.828 359 HD22 LEU 628 1HD2 LEU 628 -7.761 6.484 0.436 360 HD23 LEU 628 2HD2 LEU 628 -8.528 6.148 1.991 361 H VAL 629 H VAL 629 -4.304 6.827 3.551 362 HA VAL 629 HA VAL 629 -2.193 5.681 2.048 363 HB VAL 629 HB VAL 629 -2.258 8.355 3.468 364 HG11 VAL 629 1HG1 VAL 629 -0.465 7.360 1.254 365 HG12 VAL 629 2HG1 VAL 629 0.018 7.694 2.917 366 HG13 VAL 629 3HG1 VAL 629 -0.510 9.012 1.870 367 HG21 VAL 629 3HG2 VAL 629 -4.077 8.155 1.876 368 HG22 VAL 629 1HG2 VAL 629 -2.950 7.630 0.623 369 HG23 VAL 629 2HG2 VAL 629 -2.853 9.269 1.267 370 H ALA 630 H ALA 630 -2.500 6.683 5.422 371 HA ALA 630 HA ALA 630 0.108 6.225 6.268 372 HB1 ALA 630 3HB ALA 630 -1.443 7.394 7.673 373 HB2 ALA 630 1HB ALA 630 -0.866 5.971 8.535 374 HB3 ALA 630 2HB ALA 630 -2.473 5.972 7.806 375 H TYR 631 H TYR 631 -2.595 3.943 5.936 376 HA TYR 631 HA TYR 631 -1.330 1.734 7.112 377 HB2 TYR 631 1HB TYR 631 -3.768 1.799 6.463 378 HB3 TYR 631 2HB TYR 631 -3.263 1.574 4.789 379 HD1 TYR 631 HD1 TYR 631 -2.252 0.028 8.035 380 HD2 TYR 631 HD2 TYR 631 -3.708 -0.605 4.082 381 HE1 TYR 631 HE1 TYR 631 -2.201 -2.398 8.408 382 HE2 TYR 631 HE2 TYR 631 -3.664 -3.025 4.455 383 HH TYR 631 HH TYR 631 -3.180 -4.408 7.565 384 H ALA 632 H ALA 632 -1.165 3.006 3.808 385 HA ALA 632 HA ALA 632 0.308 0.899 2.661 386 HB1 ALA 632 3HB ALA 632 -0.778 2.683 1.347 387 HB2 ALA 632 1HB ALA 632 0.923 2.485 0.926 388 HB3 ALA 632 2HB ALA 632 0.418 3.831 1.946 389 H LYS 633 H LYS 633 1.375 3.915 4.235 390 HA LYS 633 HA LYS 633 4.090 3.628 4.200 391 HB2 LYS 633 1HB LYS 633 2.279 4.571 6.411 392 HB3 LYS 633 2HB LYS 633 4.006 4.842 6.383 393 HG2 LYS 633 1HG LYS 633 1.886 5.993 4.604 394 HG3 LYS 633 2HG LYS 633 3.031 6.846 5.639 395 HD2 LYS 633 1HD LYS 633 4.864 6.023 4.165 396 HD3 LYS 633 2HD LYS 633 3.628 5.353 3.094 397 HE2 LYS 633 1HE LYS 633 4.374 7.515 2.278 398 HE3 LYS 633 2HE LYS 633 2.687 7.594 2.787 399 HZ1 LYS 633 3HZ LYS 633 5.022 8.531 4.366 400 HZ2 LYS 633 1HZ LYS 633 3.409 8.590 4.871 401 HZ3 LYS 633 2HZ LYS 633 3.917 9.515 3.554 402 H LYS 634 H LYS 634 1.878 2.382 6.663 403 HA LYS 634 HA LYS 634 3.685 1.009 8.260 404 HB2 LYS 634 1HB LYS 634 0.872 0.131 7.568 405 HB3 LYS 634 2HB LYS 634 1.800 -0.387 8.967 406 HG2 LYS 634 1HG LYS 634 0.916 2.440 8.433 407 HG3 LYS 634 2HG LYS 634 0.102 1.303 9.508 408 HD2 LYS 634 1HD LYS 634 2.136 1.157 10.872 409 HD3 LYS 634 2HD LYS 634 2.928 2.318 9.804 410 HE2 LYS 634 1HE LYS 634 1.271 4.001 10.376 411 HE3 LYS 634 2HE LYS 634 0.425 2.843 11.400 412 HZ1 LYS 634 3HZ LYS 634 2.405 2.714 12.798 413 HZ2 LYS 634 1HZ LYS 634 1.805 4.293 12.720 414 HZ3 LYS 634 2HZ LYS 634 3.176 3.865 11.832 415 H VAL 635 H VAL 635 1.847 -0.217 5.478 416 HA VAL 635 HA VAL 635 2.923 -2.759 5.322 417 HB VAL 635 HB VAL 635 1.858 -0.928 3.190 418 HG11 VAL 635 1HG1 VAL 635 1.944 -2.809 1.608 419 HG12 VAL 635 2HG1 VAL 635 2.873 -3.741 2.780 420 HG13 VAL 635 3HG1 VAL 635 3.558 -2.276 2.079 421 HG21 VAL 635 3HG2 VAL 635 0.042 -2.545 3.139 422 HG22 VAL 635 1HG2 VAL 635 0.293 -1.962 4.785 423 HG23 VAL 635 2HG2 VAL 635 0.887 -3.555 4.311 424 H GLU 636 H GLU 636 4.164 0.181 3.688 425 HA GLU 636 HA GLU 636 6.315 -1.126 2.446 426 HB2 GLU 636 1HB GLU 636 7.067 0.929 1.726 427 HB3 GLU 636 2HB GLU 636 5.378 1.267 2.036 428 HG2 GLU 636 1HG GLU 636 6.359 3.112 2.943 429 HG3 GLU 636 2HG GLU 636 6.280 2.076 4.364 430 H GLY 637 H GLY 637 6.101 0.409 5.621 431 HA2 GLY 637 1HA GLY 637 8.793 0.114 6.370 432 HA3 GLY 637 2HA GLY 637 7.437 0.179 7.487 433 H ASP 638 H ASP 638 6.055 -2.120 6.835 434 HA ASP 638 HA ASP 638 7.529 -4.136 8.149 435 HB2 ASP 638 1HB ASP 638 5.074 -4.055 8.161 436 HB3 ASP 638 2HB ASP 638 5.046 -4.402 6.434 437 H MET 639 H MET 639 6.749 -3.632 4.742 438 HA MET 639 HA MET 639 7.935 -6.016 3.773 439 HB2 MET 639 1HB MET 639 7.600 -3.406 2.259 440 HB3 MET 639 2HB MET 639 7.860 -4.997 1.551 441 HG2 MET 639 1HG MET 639 5.433 -4.105 3.106 442 HG3 MET 639 2HG MET 639 5.513 -4.315 1.352 443 HE1 MET 639 3HE MET 639 3.236 -5.664 3.055 444 HE2 MET 639 1HE MET 639 3.227 -7.279 2.346 445 HE3 MET 639 2HE MET 639 3.446 -5.863 1.312 446 H TYR 640 H TYR 640 9.161 -2.847 4.425 447 HA TYR 640 HA TYR 640 11.454 -2.745 2.960 448 HB2 TYR 640 1HB TYR 640 10.513 -0.946 4.506 449 HB3 TYR 640 2HB TYR 640 11.386 -1.742 5.808 450 HD1 TYR 640 HD2 TYR 640 12.564 -1.260 2.314 451 HD2 TYR 640 HD1 TYR 640 12.939 -0.050 6.382 452 HE1 TYR 640 HE2 TYR 640 14.556 0.044 1.744 453 HE2 TYR 640 HE1 TYR 640 14.933 1.258 5.810 454 HH TYR 640 HH TYR 640 15.812 1.984 2.623 455 H GLU 641 H GLU 641 11.079 -4.539 6.010 456 HA GLU 641 HA GLU 641 13.879 -5.147 6.253 457 HB2 GLU 641 1HB GLU 641 11.407 -6.162 7.549 458 HB3 GLU 641 2HB GLU 641 12.818 -7.233 7.586 459 HG2 GLU 641 1HG GLU 641 12.867 -5.929 9.618 460 HG3 GLU 641 2HG GLU 641 14.116 -5.241 8.568 461 H SER 642 H SER 642 11.123 -7.000 5.043 462 HA SER 642 HA SER 642 12.559 -9.240 4.131 463 HB2 SER 642 1HB SER 642 9.950 -8.198 3.014 464 HB3 SER 642 2HB SER 642 10.524 -9.865 3.016 465 HG SER 642 HG SER 642 8.969 -8.885 4.768 466 H ALA 643 H ALA 643 11.632 -6.244 2.605 467 HA ALA 643 HA ALA 643 12.231 -6.585 -0.041 468 HB1 ALA 643 3HB ALA 643 12.696 -4.093 1.567 469 HB2 ALA 643 1HB ALA 643 11.135 -4.636 0.950 470 HB3 ALA 643 2HB ALA 643 12.423 -4.196 -0.173 471 H ASN 644 H ASN 644 14.464 -7.693 1.711 472 HA ASN 644 HA ASN 644 16.779 -6.079 1.146 473 HB2 ASN 644 1HB ASN 644 16.662 -7.756 3.078 474 HB3 ASN 644 2HB ASN 644 16.710 -9.048 1.880 475 HD21 ASN 644 1HD2 ASN 644 18.509 -6.009 1.733 476 HD22 ASN 644 2HD2 ASN 644 20.084 -6.716 1.859 477 H SER 645 H SER 645 14.794 -8.001 -0.763 478 HA SER 645 HA SER 645 16.893 -8.197 -2.794 479 HB2 SER 645 1HB SER 645 14.832 -10.345 -2.256 480 HB3 SER 645 2HB SER 645 16.060 -10.375 -3.522 481 HG SER 645 HG SER 645 16.421 -10.504 -0.718 482 H ARG 646 H ARG 646 16.221 -7.784 -4.896 483 HA ARG 646 HA ARG 646 14.172 -5.932 -5.213 484 HB2 ARG 646 1HB ARG 646 15.416 -7.708 -7.319 485 HB3 ARG 646 2HB ARG 646 14.454 -6.276 -7.651 486 HG2 ARG 646 1HG ARG 646 17.038 -6.272 -6.115 487 HG3 ARG 646 2HG ARG 646 16.888 -5.907 -7.832 488 HD2 ARG 646 1HD ARG 646 15.517 -4.406 -5.607 489 HD3 ARG 646 2HD ARG 646 16.986 -3.883 -6.429 490 HE ARG 646 HE ARG 646 14.652 -4.375 -8.100 491 HH11 ARG 646 1HH1 ARG 646 16.702 -2.052 -6.465 492 HH12 ARG 646 2HH1 ARG 646 16.130 -0.710 -7.396 493 HH21 ARG 646 1HH2 ARG 646 13.899 -2.615 -9.325 494 HH22 ARG 646 2HH2 ARG 646 14.526 -1.025 -9.025 495 H ASP 647 H ASP 647 14.170 -9.363 -6.116 496 HA ASP 647 HA ASP 647 11.599 -9.381 -7.250 497 HB2 ASP 647 1HB ASP 647 13.275 -11.167 -7.620 498 HB3 ASP 647 2HB ASP 647 13.052 -11.698 -5.953 499 H GLU 648 H GLU 648 12.719 -10.021 -3.978 500 HA GLU 648 HA GLU 648 10.342 -11.000 -2.900 501 HB2 GLU 648 1HB GLU 648 12.573 -11.028 -1.774 502 HB3 GLU 648 2HB GLU 648 12.361 -9.315 -1.429 503 HG2 GLU 648 1HG GLU 648 11.766 -10.671 0.496 504 HG3 GLU 648 2HG GLU 648 10.355 -9.814 -0.126 505 H TYR 649 H TYR 649 11.575 -7.694 -3.110 506 HA TYR 649 HA TYR 649 9.645 -6.421 -1.571 507 HB2 TYR 649 1HB TYR 649 11.860 -5.523 -2.663 508 HB3 TYR 649 2HB TYR 649 10.794 -5.047 -3.979 509 HD1 TYR 649 HD2 TYR 649 8.719 -4.768 -1.278 510 HD2 TYR 649 HD1 TYR 649 12.196 -2.918 -2.889 511 HE1 TYR 649 HE2 TYR 649 8.190 -2.713 -0.042 512 HE2 TYR 649 HE1 TYR 649 11.676 -0.859 -1.657 513 HH TYR 649 HH TYR 649 9.268 -0.729 0.787 514 H TYR 650 H TYR 650 9.661 -6.885 -5.134 515 HA TYR 650 HA TYR 650 7.213 -5.639 -5.608 516 HB2 TYR 650 1HB TYR 650 8.906 -7.612 -7.105 517 HB3 TYR 650 2HB TYR 650 7.374 -7.053 -7.732 518 HD1 TYR 650 HD1 TYR 650 7.047 -4.585 -8.145 519 HD2 TYR 650 HD2 TYR 650 10.851 -6.298 -7.317 520 HE1 TYR 650 HE1 TYR 650 8.140 -2.593 -9.081 521 HE2 TYR 650 HE2 TYR 650 11.955 -4.308 -8.246 522 HH TYR 650 HH TYR 650 11.346 -2.495 -9.937 523 H HIS 651 H HIS 651 8.070 -8.905 -4.700 524 HA HIS 651 HA HIS 651 5.682 -10.193 -5.548 525 HB2 HIS 651 1HB HIS 651 7.475 -11.647 -5.287 526 HB3 HIS 651 2HB HIS 651 8.005 -10.879 -3.807 527 HD1 HIS 651 HD1 HIS 651 7.653 -12.231 -1.783 528 HD2 HIS 651 HD2 HIS 651 4.899 -13.140 -4.777 529 HE1 HIS 651 HE1 HIS 651 6.228 -14.095 -0.865 530 HE2 HIS 651 HE2 HIS 651 4.545 -14.595 -2.671 531 H LEU 652 H LEU 652 6.826 -9.007 -2.408 532 HA LEU 652 HA LEU 652 4.635 -9.887 -0.890 533 HB2 LEU 652 1HB LEU 652 6.469 -7.536 -0.431 534 HB3 LEU 652 2HB LEU 652 5.399 -8.228 0.773 535 HG LEU 652 HG LEU 652 7.645 -9.752 -0.543 536 HD11 LEU 652 1HD1 LEU 652 7.566 -8.364 2.132 537 HD12 LEU 652 2HD1 LEU 652 8.535 -7.885 0.739 538 HD13 LEU 652 3HD1 LEU 652 8.857 -9.416 1.551 539 HD21 LEU 652 3HD2 LEU 652 5.870 -11.164 0.323 540 HD22 LEU 652 1HD2 LEU 652 5.933 -10.326 1.874 541 HD23 LEU 652 2HD2 LEU 652 7.304 -11.296 1.339 542 H LEU 653 H LEU 653 5.309 -6.694 -2.298 543 HA LEU 653 HA LEU 653 2.953 -5.457 -1.425 544 HB2 LEU 653 1HB LEU 653 4.786 -4.893 -3.745 545 HB3 LEU 653 2HB LEU 653 3.403 -3.880 -3.377 546 HG LEU 653 HG LEU 653 5.350 -4.410 -1.187 547 HD11 LEU 653 1HD1 LEU 653 6.682 -2.457 -1.987 548 HD12 LEU 653 2HD1 LEU 653 5.848 -2.601 -3.535 549 HD13 LEU 653 3HD1 LEU 653 6.863 -3.919 -2.953 550 HD21 LEU 653 3HD2 LEU 653 3.832 -1.950 -2.052 551 HD22 LEU 653 1HD2 LEU 653 4.765 -2.137 -0.569 552 HD23 LEU 653 2HD2 LEU 653 3.302 -3.091 -0.815 553 H ALA 654 H ALA 654 3.693 -7.156 -4.459 554 HA ALA 654 HA ALA 654 1.352 -6.598 -5.849 555 HB1 ALA 654 3HB ALA 654 3.332 -7.644 -6.852 556 HB2 ALA 654 1HB ALA 654 1.857 -8.544 -7.206 557 HB3 ALA 654 2HB ALA 654 2.976 -9.134 -5.978 558 H GLU 655 H GLU 655 2.054 -9.328 -3.691 559 HA GLU 655 HA GLU 655 -0.422 -10.635 -3.968 560 HB2 GLU 655 1HB GLU 655 1.185 -11.960 -2.890 561 HB3 GLU 655 2HB GLU 655 1.639 -10.663 -1.779 562 HG2 GLU 655 1HG GLU 655 -0.524 -10.923 -0.644 563 HG3 GLU 655 2HG GLU 655 -0.928 -12.238 -1.745 564 H LYS 656 H LYS 656 0.617 -8.173 -1.637 565 HA LYS 656 HA LYS 656 -1.739 -8.224 -0.081 566 HB2 LYS 656 1HB LYS 656 0.143 -5.889 -0.458 567 HB3 LYS 656 2HB LYS 656 -0.947 -6.156 0.894 568 HG2 LYS 656 1HG LYS 656 1.368 -7.943 0.188 569 HG3 LYS 656 2HG LYS 656 1.419 -6.661 1.395 570 HD2 LYS 656 1HD LYS 656 -0.581 -8.902 1.521 571 HD3 LYS 656 2HD LYS 656 1.028 -9.033 2.230 572 HE2 LYS 656 1HE LYS 656 0.546 -6.980 3.549 573 HE3 LYS 656 2HE LYS 656 -1.102 -7.016 2.922 574 HZ1 LYS 656 3HZ LYS 656 -1.394 -9.193 3.939 575 HZ2 LYS 656 1HZ LYS 656 -0.974 -8.034 5.099 576 HZ3 LYS 656 2HZ LYS 656 0.185 -9.136 4.553 577 H ILE 657 H ILE 657 -0.750 -6.291 -2.868 578 HA ILE 657 HA ILE 657 -2.936 -4.515 -2.843 579 HB ILE 657 HB ILE 657 -1.183 -5.446 -5.137 580 HG12 ILE 657 1HG1 ILE 657 -1.176 -2.903 -3.489 581 HG13 ILE 657 2HG1 ILE 657 -0.036 -4.234 -3.314 582 HG21 ILE 657 1HG2 ILE 657 -3.288 -4.625 -6.027 583 HG22 ILE 657 2HG2 ILE 657 -1.999 -3.471 -6.353 584 HG23 ILE 657 3HG2 ILE 657 -3.154 -3.162 -5.057 585 HD11 ILE 657 3HD1 ILE 657 0.930 -2.388 -4.559 586 HD12 ILE 657 1HD1 ILE 657 -0.362 -2.502 -5.755 587 HD13 ILE 657 2HD1 ILE 657 0.789 -3.826 -5.571 588 H TYR 658 H TYR 658 -2.445 -7.642 -4.490 589 HA TYR 658 HA TYR 658 -4.979 -7.660 -5.750 590 HB2 TYR 658 1HB TYR 658 -3.082 -9.214 -6.369 591 HB3 TYR 658 2HB TYR 658 -3.470 -10.156 -4.929 592 HD1 TYR 658 HD2 TYR 658 -5.885 -8.550 -7.284 593 HD2 TYR 658 HD1 TYR 658 -4.204 -12.210 -5.866 594 HE1 TYR 658 HE2 TYR 658 -7.583 -9.816 -8.517 595 HE2 TYR 658 HE1 TYR 658 -5.911 -13.466 -7.097 596 HH TYR 658 HH TYR 658 -7.996 -11.973 -9.405 597 H LYS 659 H LYS 659 -3.933 -8.746 -2.539 598 HA LYS 659 HA LYS 659 -6.266 -10.177 -1.903 599 HB2 LYS 659 1HB LYS 659 -4.337 -8.712 -0.096 600 HB3 LYS 659 2HB LYS 659 -5.635 -9.736 0.496 601 HG2 LYS 659 1HG LYS 659 -3.343 -10.626 -1.240 602 HG3 LYS 659 2HG LYS 659 -3.500 -10.899 0.496 603 HD2 LYS 659 1HD LYS 659 -5.585 -12.182 0.052 604 HD3 LYS 659 2HD LYS 659 -5.289 -11.986 -1.679 605 HE2 LYS 659 1HE LYS 659 -3.122 -13.125 -1.411 606 HE3 LYS 659 2HE LYS 659 -3.483 -13.368 0.297 607 HZ1 LYS 659 3HZ LYS 659 -5.354 -14.731 -0.300 608 HZ2 LYS 659 1HZ LYS 659 -3.970 -15.327 -1.066 609 HZ3 LYS 659 2HZ LYS 659 -5.105 -14.436 -1.946 610 H ILE 660 H ILE 660 -5.406 -6.787 -1.367 611 HA ILE 660 HA ILE 660 -7.820 -6.043 -0.112 612 HB ILE 660 HB ILE 660 -5.490 -4.639 -1.221 613 HG12 ILE 660 1HG1 ILE 660 -7.276 -4.029 1.134 614 HG13 ILE 660 2HG1 ILE 660 -5.942 -5.174 1.179 615 HG21 ILE 660 1HG2 ILE 660 -8.140 -3.197 -1.059 616 HG22 ILE 660 2HG2 ILE 660 -7.189 -3.468 -2.519 617 HG23 ILE 660 3HG2 ILE 660 -6.566 -2.425 -1.242 618 HD11 ILE 660 3HD1 ILE 660 -5.717 -2.231 0.601 619 HD12 ILE 660 1HD1 ILE 660 -4.379 -3.376 0.671 620 HD13 ILE 660 2HD1 ILE 660 -5.315 -3.023 2.123 621 H GLN 661 H GLN 661 -6.887 -6.267 -3.503 622 HA GLN 661 HA GLN 661 -9.170 -4.874 -4.520 623 HB2 GLN 661 1HB GLN 661 -7.432 -6.934 -5.908 624 HB3 GLN 661 2HB GLN 661 -8.671 -5.969 -6.690 625 HG2 GLN 661 1HG GLN 661 -7.374 -3.921 -6.006 626 HG3 GLN 661 2HG GLN 661 -6.079 -5.008 -5.498 627 HE21 GLN 661 1HE2 GLN 661 -5.095 -6.350 -7.095 628 HE22 GLN 661 2HE2 GLN 661 -5.076 -5.856 -8.748 629 H LYS 662 H LYS 662 -8.410 -8.203 -3.770 630 HA LYS 662 HA LYS 662 -10.763 -9.403 -4.749 631 HB2 LYS 662 1HB LYS 662 -8.945 -10.840 -4.293 632 HB3 LYS 662 2HB LYS 662 -8.719 -10.180 -2.681 633 HG2 LYS 662 1HG LYS 662 -10.729 -11.261 -1.908 634 HG3 LYS 662 2HG LYS 662 -11.086 -11.829 -3.538 635 HD2 LYS 662 1HD LYS 662 -9.244 -13.305 -3.537 636 HD3 LYS 662 2HD LYS 662 -8.543 -12.548 -2.106 637 HE2 LYS 662 1HE LYS 662 -11.198 -13.963 -2.093 638 HE3 LYS 662 2HE LYS 662 -9.674 -14.768 -1.727 639 HZ1 LYS 662 3HZ LYS 662 -10.740 -14.078 0.298 640 HZ2 LYS 662 1HZ LYS 662 -10.853 -12.482 -0.247 641 HZ3 LYS 662 2HZ LYS 662 -9.341 -13.158 0.074 642 H GLU 663 H GLU 663 -9.885 -7.988 -1.635 643 HA GLU 663 HA GLU 663 -12.230 -8.624 -0.231 644 HB2 GLU 663 1HB GLU 663 -10.350 -6.275 0.067 645 HB3 GLU 663 2HB GLU 663 -11.654 -6.631 1.190 646 HG2 GLU 663 1HG GLU 663 -9.306 -8.420 0.597 647 HG3 GLU 663 2HG GLU 663 -9.501 -7.405 2.021 648 H LEU 664 H LEU 664 -11.399 -5.856 -2.294 649 HA LEU 664 HA LEU 664 -13.681 -4.305 -1.886 650 HB2 LEU 664 1HB LEU 664 -12.148 -4.632 -4.467 651 HB3 LEU 664 2HB LEU 664 -13.237 -3.315 -4.082 652 HG LEU 664 HG LEU 664 -10.643 -3.889 -2.651 653 HD11 LEU 664 1HD1 LEU 664 -11.338 -1.713 -4.618 654 HD12 LEU 664 2HD1 LEU 664 -10.355 -3.131 -4.979 655 HD13 LEU 664 3HD1 LEU 664 -9.792 -1.946 -3.805 656 HD21 LEU 664 3HD2 LEU 664 -12.278 -2.821 -1.203 657 HD22 LEU 664 1HD2 LEU 664 -12.579 -1.588 -2.428 658 HD23 LEU 664 2HD2 LEU 664 -11.005 -1.684 -1.641 659 H GLU 665 H GLU 665 -13.106 -6.906 -4.231 660 HA GLU 665 HA GLU 665 -15.638 -6.779 -5.468 661 HB2 GLU 665 1HB GLU 665 -13.776 -9.142 -5.177 662 HB3 GLU 665 2HB GLU 665 -15.122 -9.035 -6.301 663 HG2 GLU 665 1HG GLU 665 -14.007 -7.099 -7.371 664 HG3 GLU 665 2HG GLU 665 -12.622 -7.363 -6.311 665 H GLU 666 H GLU 666 -14.395 -8.544 -2.699 666 HA GLU 666 HA GLU 666 -16.644 -10.143 -2.193 667 HB2 GLU 666 1HB GLU 666 -14.427 -10.516 -1.179 668 HB3 GLU 666 2HB GLU 666 -14.633 -9.058 -0.218 669 HG2 GLU 666 1HG GLU 666 -16.466 -10.024 0.972 670 HG3 GLU 666 2HG GLU 666 -16.467 -11.435 -0.087 671 H LYS 667 H LYS 667 -15.820 -6.855 -1.167 672 HA LYS 667 HA LYS 667 -18.015 -6.437 0.557 673 HB2 LYS 667 1HB LYS 667 -16.876 -4.297 -1.253 674 HB3 LYS 667 2HB LYS 667 -17.597 -4.097 0.334 675 HG2 LYS 667 1HG LYS 667 -14.888 -5.261 -0.313 676 HG3 LYS 667 2HG LYS 667 -15.250 -3.751 0.519 677 HD2 LYS 667 1HD LYS 667 -16.067 -6.443 1.589 678 HD3 LYS 667 2HD LYS 667 -14.539 -5.662 1.996 679 HE2 LYS 667 1HE LYS 667 -15.761 -3.742 2.888 680 HE3 LYS 667 2HE LYS 667 -17.287 -4.526 2.483 681 HZ1 LYS 667 3HZ LYS 667 -15.275 -5.667 4.348 682 HZ2 LYS 667 1HZ LYS 667 -16.838 -6.249 4.049 683 HZ3 LYS 667 2HZ LYS 667 -16.625 -4.764 4.835 684 H ARG 668 H ARG 668 -17.655 -6.102 -2.943 685 HA ARG 668 HA ARG 668 -20.162 -4.978 -3.430 686 HB2 ARG 668 1HB ARG 668 -18.239 -4.815 -4.970 687 HB3 ARG 668 2HB ARG 668 -18.376 -6.537 -5.283 688 HG2 ARG 668 1HG ARG 668 -19.340 -5.384 -7.117 689 HG3 ARG 668 2HG ARG 668 -20.659 -6.109 -6.197 690 HD2 ARG 668 1HD ARG 668 -21.147 -3.983 -5.156 691 HD3 ARG 668 2HD ARG 668 -19.760 -3.242 -5.952 692 HE ARG 668 HE ARG 668 -21.474 -4.352 -7.889 693 HH11 ARG 668 1HH1 ARG 668 -21.322 -1.683 -5.619 694 HH12 ARG 668 2HH1 ARG 668 -22.371 -0.670 -6.567 695 HH21 ARG 668 1HH2 ARG 668 -22.834 -3.016 -9.130 696 HH22 ARG 668 2HH2 ARG 668 -23.221 -1.418 -8.562 697 H ARG 669 H ARG 669 -19.087 -8.074 -2.908 698 HA ARG 669 HA ARG 669 -20.776 -9.741 -4.271 699 HB2 ARG 669 1HB ARG 669 -18.836 -10.479 -2.948 700 HB3 ARG 669 2HB ARG 669 -19.744 -10.176 -1.474 701 HG2 ARG 669 1HG ARG 669 -21.347 -11.903 -2.095 702 HG3 ARG 669 2HG ARG 669 -20.456 -12.199 -3.589 703 HD2 ARG 669 1HD ARG 669 -19.876 -13.854 -1.899 704 HD3 ARG 669 2HD ARG 669 -18.487 -12.843 -2.289 705 HE ARG 669 HE ARG 669 -19.931 -11.838 -0.046 706 HH11 ARG 669 1HH1 ARG 669 -17.577 -14.239 -1.013 707 HH12 ARG 669 2HH1 ARG 669 -16.873 -14.369 0.565 708 HH21 ARG 669 1HH2 ARG 669 -18.994 -11.999 2.041 709 HH22 ARG 669 2HH2 ARG 669 -17.671 -13.088 2.306 710 H SER 670 H SER 670 -21.501 -8.047 -1.248 711 HA SER 670 HA SER 670 -24.158 -9.278 -1.368 712 HB2 SER 670 1HB SER 670 -23.652 -9.564 0.818 713 HB3 SER 670 2HB SER 670 -22.551 -8.202 0.888 714 HG SER 670 HG SER 670 -25.349 -8.277 1.182 715 H ARG 671 H ARG 671 -22.844 -5.924 -0.848 716 HA ARG 671 HA ARG 671 -23.990 -4.921 -3.160 717 HB2 ARG 671 1HB ARG 671 -26.151 -5.382 -1.972 718 HB3 ARG 671 2HB ARG 671 -25.651 -4.260 -0.715 719 HG2 ARG 671 1HG ARG 671 -27.198 -3.198 -2.243 720 HG3 ARG 671 2HG ARG 671 -25.607 -2.444 -2.353 721 HD2 ARG 671 1HD ARG 671 -25.138 -3.827 -4.352 722 HD3 ARG 671 2HD ARG 671 -26.779 -4.464 -4.261 723 HE ARG 671 HE ARG 671 -27.324 -1.899 -4.406 724 HH11 ARG 671 1HH1 ARG 671 -24.907 -3.714 -6.164 725 HH12 ARG 671 2HH1 ARG 671 -24.953 -2.675 -7.551 726 HH21 ARG 671 1HH2 ARG 671 -27.377 -0.517 -6.225 727 HH22 ARG 671 2HH2 ARG 671 -26.354 -0.851 -7.586 728 H LEU 672 H LEU 672 -21.645 -4.325 -2.602 729 HA LEU 672 HA LEU 672 -21.751 -1.573 -1.596 730 HB2 LEU 672 1HB LEU 672 -19.638 -3.632 -0.927 731 HB3 LEU 672 2HB LEU 672 -19.435 -1.916 -0.639 732 HG LEU 672 HG LEU 672 -21.609 -3.599 0.616 733 HD11 LEU 672 1HD1 LEU 672 -20.268 -3.417 2.671 734 HD12 LEU 672 2HD1 LEU 672 -18.965 -2.683 1.736 735 HD13 LEU 672 3HD1 LEU 672 -19.454 -4.346 1.413 736 HD21 LEU 672 3HD2 LEU 672 -20.647 -0.798 1.187 737 HD22 LEU 672 1HD2 LEU 672 -21.862 -1.678 2.114 738 HD23 LEU 672 2HD2 LEU 672 -22.179 -1.241 0.435 739 H1 ASP 840 1H ASP 840 3.587 -12.120 11.227 740 HA ASP 840 HA ASP 840 2.156 -13.157 9.798 741 HB2 ASP 840 1HB ASP 840 1.950 -14.763 12.327 742 HB3 ASP 840 2HB ASP 840 0.915 -15.169 10.959 743 H ALA 841 H ALA 841 1.044 -10.959 10.098 744 HA ALA 841 HA ALA 841 -1.443 -10.968 11.553 745 HB1 ALA 841 3HB ALA 841 -0.092 -8.933 11.352 746 HB2 ALA 841 1HB ALA 841 -1.720 -8.706 10.711 747 HB3 ALA 841 2HB ALA 841 -0.362 -8.933 9.609 748 H GLY 842 H GLY 842 -0.579 -12.363 8.719 749 HA2 GLY 842 1HA GLY 842 -2.143 -13.586 7.444 750 HA3 GLY 842 2HA GLY 842 -3.361 -12.373 7.812 751 H ASN 843 H ASN 843 -2.073 -13.589 5.285 752 HA ASN 843 HA ASN 843 -0.771 -11.538 3.872 753 HB2 ASN 843 1HB ASN 843 -2.551 -13.728 2.773 754 HB3 ASN 843 2HB ASN 843 -1.373 -12.801 1.849 755 HD21 ASN 843 1HD2 ASN 843 0.843 -13.309 2.087 756 HD22 ASN 843 2HD2 ASN 843 1.383 -14.736 2.924 757 H ILE 844 H ILE 844 -4.141 -12.374 4.290 758 HA ILE 844 HA ILE 844 -5.143 -10.309 2.566 759 HB ILE 844 HB ILE 844 -6.705 -11.709 4.769 760 HG12 ILE 844 1HG1 ILE 844 -6.272 -12.484 1.866 761 HG13 ILE 844 2HG1 ILE 844 -5.834 -13.419 3.287 762 HG21 ILE 844 1HG2 ILE 844 -7.771 -9.700 3.986 763 HG22 ILE 844 2HG2 ILE 844 -8.651 -11.107 3.387 764 HG23 ILE 844 3HG2 ILE 844 -7.582 -10.210 2.313 765 HD11 ILE 844 3HD1 ILE 844 -8.199 -13.728 3.810 766 HD12 ILE 844 1HD1 ILE 844 -7.806 -14.317 2.195 767 HD13 ILE 844 2HD1 ILE 844 -8.633 -12.773 2.391 768 H LEU 845 H LEU 845 -5.843 -8.256 3.081 769 HA LEU 845 HA LEU 845 -4.812 -7.229 5.612 770 HB2 LEU 845 1HB LEU 845 -5.739 -5.709 3.169 771 HB3 LEU 845 2HB LEU 845 -4.895 -5.037 4.550 772 HG LEU 845 HG LEU 845 -3.114 -6.926 3.764 773 HD11 LEU 845 1HD1 LEU 845 -4.584 -7.444 1.800 774 HD12 LEU 845 2HD1 LEU 845 -2.923 -7.004 1.412 775 HD13 LEU 845 3HD1 LEU 845 -4.216 -5.826 1.194 776 HD21 LEU 845 3HD2 LEU 845 -2.556 -4.631 4.246 777 HD22 LEU 845 1HD2 LEU 845 -3.340 -4.096 2.758 778 HD23 LEU 845 2HD2 LEU 845 -1.885 -5.089 2.680 779 HA PRO 846 HA PRO 846 -8.553 -6.574 7.750 780 HB2 PRO 846 1HB PRO 846 -8.466 -3.773 8.084 781 HB3 PRO 846 2HB PRO 846 -7.849 -4.995 9.196 782 HG2 PRO 846 1HG PRO 846 -6.404 -3.404 7.137 783 HG3 PRO 846 2HG PRO 846 -5.845 -3.972 8.722 784 HD2 PRO 846 1HD PRO 846 -5.023 -5.158 6.486 785 HD3 PRO 846 2HD PRO 846 -5.404 -6.120 7.928 786 H SER 847 H SER 847 -10.408 -6.805 6.800 787 HA SER 847 HA SER 847 -11.349 -5.654 4.459 788 HB2 SER 847 1HB SER 847 -12.312 -7.679 5.561 789 HB3 SER 847 2HB SER 847 -13.057 -6.623 6.762 790 HG SER 847 HG SER 847 -13.820 -7.179 4.200 791 H ASP 848 H ASP 848 -11.494 -4.545 7.762 792 HA ASP 848 HA ASP 848 -13.573 -2.732 7.677 793 HB2 ASP 848 1HB ASP 848 -12.404 -3.404 9.742 794 HB3 ASP 848 2HB ASP 848 -11.017 -2.424 9.265 795 H ILE 849 H ILE 849 -10.176 -2.137 6.698 796 HA ILE 849 HA ILE 849 -10.531 0.650 6.306 797 HB ILE 849 HB ILE 849 -8.560 -1.040 4.738 798 HG12 ILE 849 1HG1 ILE 849 -8.322 -1.513 7.153 799 HG13 ILE 849 2HG1 ILE 849 -6.947 -0.605 6.538 800 HG21 ILE 849 1HG2 ILE 849 -8.841 1.241 3.938 801 HG22 ILE 849 2HG2 ILE 849 -7.261 1.053 4.701 802 HG23 ILE 849 3HG2 ILE 849 -8.567 1.866 5.564 803 HD11 ILE 849 3HD1 ILE 849 -7.868 1.444 7.507 804 HD12 ILE 849 1HD1 ILE 849 -7.627 0.193 8.727 805 HD13 ILE 849 2HD1 ILE 849 -9.247 0.530 8.121 806 H MET 850 H MET 850 -10.937 -2.148 4.202 807 HA MET 850 HA MET 850 -11.675 -0.814 1.844 808 HB2 MET 850 1HB MET 850 -12.420 -3.513 2.960 809 HB3 MET 850 2HB MET 850 -13.034 -2.953 1.416 810 HG2 MET 850 1HG MET 850 -11.132 -4.436 1.171 811 HG3 MET 850 2HG MET 850 -10.798 -2.836 0.523 812 HE1 MET 850 3HE MET 850 -7.855 -1.560 2.441 813 HE2 MET 850 1HE MET 850 -9.483 -0.953 2.141 814 HE3 MET 850 2HE MET 850 -8.596 -1.767 0.853 815 H ASP 851 H ASP 851 -13.584 -1.908 4.618 816 HA ASP 851 HA ASP 851 -16.106 -1.038 3.744 817 HB2 ASP 851 1HB ASP 851 -14.928 -1.270 6.540 818 HB3 ASP 851 2HB ASP 851 -16.582 -0.725 6.267 819 H PHE 852 H PHE 852 -13.474 0.716 5.303 820 HA PHE 852 HA PHE 852 -14.924 3.056 5.907 821 HB2 PHE 852 1HB PHE 852 -12.738 2.373 6.924 822 HB3 PHE 852 2HB PHE 852 -11.948 2.814 5.417 823 HD1 PHE 852 HD1 PHE 852 -14.621 4.520 7.378 824 HD2 PHE 852 HD2 PHE 852 -10.651 4.672 5.849 825 HE1 PHE 852 HE1 PHE 852 -14.395 6.827 8.199 826 HE2 PHE 852 HE2 PHE 852 -10.422 6.977 6.660 827 HZ PHE 852 HZ PHE 852 -12.295 8.059 7.841 828 H VAL 853 H VAL 853 -12.786 2.255 3.166 829 HA VAL 853 HA VAL 853 -13.152 4.736 1.856 830 HB VAL 853 HB VAL 853 -11.237 3.365 1.315 831 HG11 VAL 853 1HG1 VAL 853 -13.152 1.404 0.064 832 HG12 VAL 853 2HG1 VAL 853 -12.248 1.148 1.554 833 HG13 VAL 853 3HG1 VAL 853 -11.391 1.317 0.023 834 HG21 VAL 853 3HG2 VAL 853 -12.000 4.932 -0.370 835 HG22 VAL 853 1HG2 VAL 853 -13.075 3.709 -1.048 836 HG23 VAL 853 2HG2 VAL 853 -11.327 3.490 -1.134 837 H LEU 854 H LEU 854 -14.790 1.599 1.451 838 HA LEU 854 HA LEU 854 -16.406 2.408 -0.714 839 HB2 LEU 854 1HB LEU 854 -16.402 0.122 1.174 840 HB3 LEU 854 2HB LEU 854 -17.905 0.449 0.343 841 HG LEU 854 HG LEU 854 -16.454 -1.298 -0.720 842 HD11 LEU 854 1HD1 LEU 854 -18.198 -0.126 -1.993 843 HD12 LEU 854 2HD1 LEU 854 -16.819 -0.571 -2.993 844 HD13 LEU 854 3HD1 LEU 854 -17.016 1.096 -2.469 845 HD21 LEU 854 3HD2 LEU 854 -14.281 -0.306 -0.337 846 HD22 LEU 854 1HD2 LEU 854 -14.699 1.063 -1.369 847 HD23 LEU 854 2HD2 LEU 854 -14.545 -0.551 -2.064 848 H LYS 855 H LYS 855 -16.930 2.615 2.788 849 HA LYS 855 HA LYS 855 -19.764 2.996 2.472 850 HB2 LYS 855 1HB LYS 855 -18.759 1.926 4.490 851 HB3 LYS 855 2HB LYS 855 -18.105 3.490 4.953 852 HG2 LYS 855 1HG LYS 855 -20.135 3.016 6.212 853 HG3 LYS 855 2HG LYS 855 -20.388 4.387 5.127 854 HD2 LYS 855 1HD LYS 855 -21.512 2.930 3.525 855 HD3 LYS 855 2HD LYS 855 -21.226 1.539 4.573 856 HE2 LYS 855 1HE LYS 855 -22.596 2.573 6.315 857 HE3 LYS 855 2HE LYS 855 -22.869 3.970 5.274 858 HZ1 LYS 855 3HZ LYS 855 -23.993 2.531 3.692 859 HZ2 LYS 855 1HZ LYS 855 -24.731 2.433 5.211 860 HZ3 LYS 855 2HZ LYS 855 -23.721 1.187 4.683 861 H ASN 856 H ASN 856 -17.032 5.177 2.639 862 HA ASN 856 HA ASN 856 -18.828 7.427 3.194 863 HB2 ASN 856 1HB ASN 856 -16.615 7.259 4.362 864 HB3 ASN 856 2HB ASN 856 -15.830 7.496 2.805 865 HD21 ASN 856 1HD2 ASN 856 -15.886 9.530 1.841 866 HD22 ASN 856 2HD2 ASN 856 -16.374 10.946 2.702 867 H THR 857 H THR 857 -19.603 8.702 1.660 868 HA THR 857 HA THR 857 -18.747 8.320 -1.087 869 HB THR 857 HB THR 857 -20.930 10.139 -0.057 870 HG1 THR 857 HG1 THR 857 -21.196 7.465 -1.021 871 HG21 THR 857 1HG2 THR 857 -20.199 10.583 -2.354 872 HG22 THR 857 2HG2 THR 857 -21.830 9.913 -2.322 873 HG23 THR 857 3HG2 THR 857 -20.466 8.889 -2.768 874 HA PRO 858 HA PRO 858 -16.300 12.069 -0.737 875 HB2 PRO 858 1HB PRO 858 -14.909 11.757 -3.007 876 HB3 PRO 858 2HB PRO 858 -14.591 10.774 -1.576 877 HG2 PRO 858 1HG PRO 858 -16.024 10.060 -4.081 878 HG3 PRO 858 2HG PRO 858 -15.008 9.053 -3.038 879 HD2 PRO 858 1HD PRO 858 -17.809 9.113 -3.052 880 HD3 PRO 858 2HD PRO 858 -16.785 8.402 -1.794 Start of MODEL 17 1 H1 GLY 586 1H GLY 586 35.553 -4.787 -3.275 2 HA2 GLY 586 1HA GLY 586 35.525 -6.738 -1.131 3 HA3 GLY 586 2HA GLY 586 34.438 -5.369 -1.316 4 H VAL 587 H VAL 587 32.416 -5.854 -1.771 5 HA VAL 587 HA VAL 587 31.869 -8.539 -2.828 6 HB VAL 587 HB VAL 587 29.691 -8.410 -1.701 7 HG11 VAL 587 1HG1 VAL 587 32.043 -7.863 0.098 8 HG12 VAL 587 2HG1 VAL 587 31.538 -9.434 -0.523 9 HG13 VAL 587 3HG1 VAL 587 30.508 -8.563 0.613 10 HG21 VAL 587 3HG2 VAL 587 29.335 -6.011 -1.747 11 HG22 VAL 587 1HG2 VAL 587 30.695 -5.768 -0.651 12 HG23 VAL 587 2HG2 VAL 587 29.248 -6.602 -0.087 13 H ARG 588 H ARG 588 30.067 -8.799 -4.267 14 HA ARG 588 HA ARG 588 29.466 -6.384 -5.831 15 HB2 ARG 588 1HB ARG 588 29.101 -7.884 -7.746 16 HB3 ARG 588 2HB ARG 588 30.712 -8.091 -7.081 17 HG2 ARG 588 1HG ARG 588 30.059 -10.260 -7.521 18 HG3 ARG 588 2HG ARG 588 29.687 -10.095 -5.810 19 HD2 ARG 588 1HD ARG 588 27.338 -9.599 -6.411 20 HD3 ARG 588 2HD ARG 588 27.745 -9.888 -8.101 21 HE ARG 588 HE ARG 588 28.441 -12.083 -6.401 22 HH11 ARG 588 1HH1 ARG 588 25.837 -10.590 -8.191 23 HH12 ARG 588 2HH1 ARG 588 24.926 -12.059 -8.350 24 HH21 ARG 588 1HH2 ARG 588 27.248 -14.022 -6.599 25 HH22 ARG 588 2HH2 ARG 588 25.738 -14.016 -7.449 26 H LYS 589 H LYS 589 28.217 -8.174 -3.514 27 HA LYS 589 HA LYS 589 25.454 -7.974 -4.489 28 HB2 LYS 589 1HB LYS 589 25.690 -10.184 -3.805 29 HB3 LYS 589 2HB LYS 589 26.784 -9.776 -2.482 30 HG2 LYS 589 1HG LYS 589 24.900 -8.887 -1.212 31 HG3 LYS 589 2HG LYS 589 23.815 -9.240 -2.559 32 HD2 LYS 589 1HD LYS 589 23.596 -11.004 -0.959 33 HD3 LYS 589 2HD LYS 589 24.461 -11.642 -2.357 34 HE2 LYS 589 1HE LYS 589 25.546 -12.452 -0.390 35 HE3 LYS 589 2HE LYS 589 26.594 -11.240 -1.123 36 HZ1 LYS 589 3HZ LYS 589 24.791 -10.807 1.193 37 HZ2 LYS 589 1HZ LYS 589 25.769 -9.623 0.484 38 HZ3 LYS 589 2HZ LYS 589 26.472 -10.949 1.257 39 H GLY 590 H GLY 590 24.058 -6.579 -3.538 40 HA2 GLY 590 1HA GLY 590 24.311 -5.405 -1.030 41 HA3 GLY 590 2HA GLY 590 25.138 -4.371 -2.193 42 H TRP 591 H TRP 591 22.088 -6.066 -1.664 43 HA TRP 591 HA TRP 591 20.676 -4.971 -3.776 44 HB2 TRP 591 1HB TRP 591 19.598 -5.939 -1.122 45 HB3 TRP 591 2HB TRP 591 18.699 -5.824 -2.640 46 HD1 TRP 591 HD1 TRP 591 20.408 -7.094 -4.711 47 HE1 TRP 591 HE1 TRP 591 21.202 -9.503 -4.626 48 HE3 TRP 591 HE3 TRP 591 19.880 -7.932 0.298 49 HZ2 TRP 591 HZ2 TRP 591 21.550 -11.555 -2.688 50 HZ3 TRP 591 HZ3 TRP 591 20.465 -10.151 1.184 51 HH2 TRP 591 HH2 TRP 591 21.282 -11.923 -0.280 52 H HIS 592 H HIS 592 21.007 -3.808 -0.456 53 HA HIS 592 HA HIS 592 19.100 -1.762 -0.677 54 HB2 HIS 592 1HB HIS 592 21.425 -2.105 1.214 55 HB3 HIS 592 2HB HIS 592 20.329 -0.734 1.302 56 HD1 HIS 592 HD1 HIS 592 20.839 -3.722 2.969 57 HD2 HIS 592 HD2 HIS 592 17.463 -1.989 1.262 58 HE1 HIS 592 HE1 HIS 592 18.877 -4.804 4.105 59 HE2 HIS 592 HE2 HIS 592 16.857 -3.627 3.173 60 H GLU 593 H GLU 593 22.285 -1.891 -2.001 61 HA GLU 593 HA GLU 593 22.674 0.974 -1.922 62 HB2 GLU 593 1HB GLU 593 24.734 0.649 -2.987 63 HB3 GLU 593 2HB GLU 593 24.535 -0.769 -1.968 64 HG2 GLU 593 1HG GLU 593 23.949 -2.122 -3.837 65 HG3 GLU 593 2HG GLU 593 23.876 -0.717 -4.899 66 H HIS 594 H HIS 594 21.080 -1.214 -4.024 67 HA HIS 594 HA HIS 594 20.923 0.901 -6.057 68 HB2 HIS 594 1HB HIS 594 20.420 -0.864 -7.747 69 HB3 HIS 594 2HB HIS 594 22.049 -0.911 -7.096 70 HD1 HIS 594 HD1 HIS 594 18.972 -2.898 -7.474 71 HD2 HIS 594 HD2 HIS 594 22.580 -3.166 -5.430 72 HE1 HIS 594 HE1 HIS 594 19.156 -5.296 -6.738 73 HE2 HIS 594 HE2 HIS 594 21.454 -5.475 -5.722 74 H VAL 595 H VAL 595 19.211 0.787 -3.813 75 HA VAL 595 HA VAL 595 16.738 0.792 -5.406 76 HB VAL 595 HB VAL 595 17.056 -0.001 -2.513 77 HG11 VAL 595 1HG1 VAL 595 15.192 1.494 -2.533 78 HG12 VAL 595 2HG1 VAL 595 14.558 -0.149 -2.459 79 HG13 VAL 595 3HG1 VAL 595 14.524 0.744 -3.986 80 HG21 VAL 595 3HG2 VAL 595 17.343 -1.759 -4.223 81 HG22 VAL 595 1HG2 VAL 595 15.714 -1.421 -4.804 82 HG23 VAL 595 2HG2 VAL 595 15.955 -2.043 -3.170 83 H THR 596 H THR 596 15.829 2.716 -5.521 84 HA THR 596 HA THR 596 16.923 4.874 -3.906 85 HB THR 596 HB THR 596 16.994 5.332 -6.227 86 HG1 THR 596 HG1 THR 596 16.240 7.282 -5.979 87 HG21 THR 596 1HG2 THR 596 14.067 4.625 -6.331 88 HG22 THR 596 2HG2 THR 596 15.396 3.693 -7.012 89 HG23 THR 596 3HG2 THR 596 15.006 5.278 -7.672 90 H GLN 597 H GLN 597 15.430 6.588 -3.158 91 HA GLN 597 HA GLN 597 13.405 5.577 -1.479 92 HB2 GLN 597 1HB GLN 597 14.685 7.667 -1.058 93 HB3 GLN 597 2HB GLN 597 13.852 8.423 -2.407 94 HG2 GLN 597 1HG GLN 597 12.843 9.136 -0.364 95 HG3 GLN 597 2HG GLN 597 11.713 8.092 -1.227 96 HE21 GLN 597 1HE2 GLN 597 10.581 7.564 0.624 97 HE22 GLN 597 2HE2 GLN 597 11.222 6.529 1.840 98 H ASP 598 H ASP 598 13.394 7.134 -4.608 99 HA ASP 598 HA ASP 598 10.650 7.603 -4.893 100 HB2 ASP 598 1HB ASP 598 12.281 8.585 -6.424 101 HB3 ASP 598 2HB ASP 598 12.666 6.993 -7.060 102 H LEU 599 H LEU 599 12.564 4.713 -5.619 103 HA LEU 599 HA LEU 599 10.643 3.174 -6.863 104 HB2 LEU 599 1HB LEU 599 13.107 2.641 -6.430 105 HB3 LEU 599 2HB LEU 599 12.611 2.071 -4.845 106 HG LEU 599 HG LEU 599 11.092 0.442 -5.981 107 HD11 LEU 599 1HD1 LEU 599 11.497 0.003 -8.366 108 HD12 LEU 599 2HD1 LEU 599 12.520 1.440 -8.433 109 HD13 LEU 599 3HD1 LEU 599 10.803 1.597 -8.075 110 HD21 LEU 599 3HD2 LEU 599 14.031 0.291 -6.638 111 HD22 LEU 599 1HD2 LEU 599 12.908 -1.065 -6.717 112 HD23 LEU 599 2HD2 LEU 599 13.246 -0.291 -5.171 113 H ARG 600 H ARG 600 11.329 3.447 -3.391 114 HA ARG 600 HA ARG 600 9.247 1.735 -2.573 115 HB2 ARG 600 1HB ARG 600 10.824 3.844 -1.119 116 HB3 ARG 600 2HB ARG 600 9.542 2.931 -0.329 117 HG2 ARG 600 1HG ARG 600 10.774 0.843 -1.099 118 HG3 ARG 600 2HG ARG 600 12.125 1.917 -1.462 119 HD2 ARG 600 1HD ARG 600 10.816 1.994 1.222 120 HD3 ARG 600 2HD ARG 600 11.989 0.735 0.849 121 HE ARG 600 HE ARG 600 13.466 2.762 0.236 122 HH11 ARG 600 1HH1 ARG 600 11.014 2.841 2.737 123 HH12 ARG 600 2HH1 ARG 600 11.984 3.797 3.821 124 HH21 ARG 600 1HH2 ARG 600 14.726 4.038 1.650 125 HH22 ARG 600 2HH2 ARG 600 14.083 4.491 3.197 126 H SER 601 H SER 601 9.361 5.283 -2.885 127 HA SER 601 HA SER 601 6.816 5.695 -1.714 128 HB2 SER 601 1HB SER 601 6.991 7.971 -2.819 129 HB3 SER 601 2HB SER 601 8.317 7.538 -1.739 130 HG SER 601 HG SER 601 9.561 7.908 -3.371 131 H HIS 602 H HIS 602 7.885 5.293 -5.070 132 HA HIS 602 HA HIS 602 5.485 5.817 -6.381 133 HB2 HIS 602 1HB HIS 602 7.689 5.316 -7.501 134 HB3 HIS 602 2HB HIS 602 7.405 3.608 -7.169 135 HD1 HIS 602 HD1 HIS 602 6.653 2.479 -9.207 136 HD2 HIS 602 HD2 HIS 602 5.106 6.326 -8.932 137 HE1 HIS 602 HE1 HIS 602 5.198 2.769 -11.235 138 HE2 HIS 602 HE2 HIS 602 4.459 5.175 -11.153 139 H LEU 603 H LEU 603 6.638 2.831 -4.926 140 HA LEU 603 HA LEU 603 4.427 1.219 -5.576 141 HB2 LEU 603 1HB LEU 603 6.371 0.972 -3.281 142 HB3 LEU 603 2HB LEU 603 5.274 -0.282 -3.825 143 HG LEU 603 HG LEU 603 7.371 0.916 -5.627 144 HD11 LEU 603 1HD1 LEU 603 8.481 -0.082 -3.702 145 HD12 LEU 603 2HD1 LEU 603 8.750 -1.028 -5.164 146 HD13 LEU 603 3HD1 LEU 603 7.590 -1.580 -3.958 147 HD21 LEU 603 3HD2 LEU 603 5.538 -0.200 -6.758 148 HD22 LEU 603 1HD2 LEU 603 5.767 -1.633 -5.757 149 HD23 LEU 603 2HD2 LEU 603 7.018 -1.148 -6.901 150 H VAL 604 H VAL 604 5.031 3.428 -2.923 151 HA VAL 604 HA VAL 604 2.968 2.582 -1.184 152 HB VAL 604 HB VAL 604 4.250 5.300 -1.535 153 HG11 VAL 604 1HG1 VAL 604 1.995 5.508 -0.565 154 HG12 VAL 604 2HG1 VAL 604 3.261 5.933 0.585 155 HG13 VAL 604 3HG1 VAL 604 2.452 4.370 0.703 156 HG21 VAL 604 3HG2 VAL 604 5.455 4.729 0.505 157 HG22 VAL 604 1HG2 VAL 604 5.752 3.532 -0.757 158 HG23 VAL 604 2HG2 VAL 604 4.636 3.168 0.561 159 H HIS 605 H HIS 605 3.082 4.967 -3.799 160 HA HIS 605 HA HIS 605 0.435 5.899 -3.527 161 HB2 HIS 605 1HB HIS 605 2.259 5.858 -5.928 162 HB3 HIS 605 2HB HIS 605 0.658 6.585 -5.960 163 HD1 HIS 605 HD1 HIS 605 0.397 8.887 -4.983 164 HD2 HIS 605 HD2 HIS 605 4.137 7.236 -4.235 165 HE1 HIS 605 HE1 HIS 605 1.780 10.751 -4.019 166 HE2 HIS 605 HE2 HIS 605 3.965 9.676 -3.394 167 H LYS 606 H LYS 606 1.810 3.197 -5.330 168 HA LYS 606 HA LYS 606 -0.489 2.471 -6.763 169 HB2 LYS 606 1HB LYS 606 1.766 0.754 -5.716 170 HB3 LYS 606 2HB LYS 606 0.538 0.191 -6.841 171 HG2 LYS 606 1HG LYS 606 2.526 2.400 -7.335 172 HG3 LYS 606 2HG LYS 606 2.576 0.770 -8.012 173 HD2 LYS 606 1HD LYS 606 0.420 1.197 -9.129 174 HD3 LYS 606 2HD LYS 606 0.436 2.843 -8.494 175 HE2 LYS 606 1HE LYS 606 2.550 3.251 -9.695 176 HE3 LYS 606 2HE LYS 606 2.450 1.628 -10.378 177 HZ1 LYS 606 3HZ LYS 606 0.362 2.245 -11.431 178 HZ2 LYS 606 1HZ LYS 606 1.613 3.272 -11.921 179 HZ3 LYS 606 2HZ LYS 606 0.475 3.806 -10.791 180 H LEU 607 H LEU 607 0.593 1.612 -3.514 181 HA LEU 607 HA LEU 607 -1.478 -0.216 -2.932 182 HB2 LEU 607 1HB LEU 607 0.746 0.239 -1.701 183 HB3 LEU 607 2HB LEU 607 -0.121 1.527 -0.892 184 HG LEU 607 HG LEU 607 -1.105 -1.318 -0.826 185 HD11 LEU 607 1HD1 LEU 607 0.028 -1.550 1.327 186 HD12 LEU 607 2HD1 LEU 607 0.789 0.022 1.096 187 HD13 LEU 607 3HD1 LEU 607 1.179 -1.313 0.013 188 HD21 LEU 607 3HD2 LEU 607 -1.522 1.042 1.005 189 HD22 LEU 607 1HD2 LEU 607 -2.213 -0.567 1.215 190 HD23 LEU 607 2HD2 LEU 607 -2.687 0.423 -0.165 191 H VAL 608 H VAL 608 -1.130 3.274 -2.310 192 HA VAL 608 HA VAL 608 -3.621 3.753 -1.131 193 HB VAL 608 HB VAL 608 -1.994 5.550 -2.947 194 HG11 VAL 608 1HG1 VAL 608 -4.342 6.285 -2.745 195 HG12 VAL 608 2HG1 VAL 608 -3.205 7.413 -2.007 196 HG13 VAL 608 3HG1 VAL 608 -4.153 6.329 -0.992 197 HG21 VAL 608 3HG2 VAL 608 -0.753 4.827 -0.993 198 HG22 VAL 608 1HG2 VAL 608 -2.079 5.321 0.058 199 HG23 VAL 608 2HG2 VAL 608 -1.176 6.534 -0.850 200 H GLN 609 H GLN 609 -2.633 3.822 -4.521 201 HA GLN 609 HA GLN 609 -4.992 4.589 -5.757 202 HB2 GLN 609 1HB GLN 609 -2.812 4.395 -6.883 203 HB3 GLN 609 2HB GLN 609 -2.873 2.648 -6.720 204 HG2 GLN 609 1HG GLN 609 -3.454 3.097 -8.937 205 HG3 GLN 609 2HG GLN 609 -4.974 2.726 -8.125 206 HE21 GLN 609 1HE2 GLN 609 -3.044 5.178 -9.621 207 HE22 GLN 609 2HE2 GLN 609 -4.278 6.379 -9.736 208 H ALA 610 H ALA 610 -3.911 1.391 -4.736 209 HA ALA 610 HA ALA 610 -5.944 -0.124 -5.933 210 HB1 ALA 610 3HB ALA 610 -3.864 -1.090 -5.077 211 HB2 ALA 610 1HB ALA 610 -5.282 -1.903 -4.416 212 HB3 ALA 610 2HB ALA 610 -4.387 -0.749 -3.428 213 H ILE 611 H ILE 611 -5.799 1.513 -2.791 214 HA ILE 611 HA ILE 611 -8.217 0.239 -1.888 215 HB ILE 611 HB ILE 611 -6.592 2.527 -0.666 216 HG12 ILE 611 1HG1 ILE 611 -6.837 -0.198 0.618 217 HG13 ILE 611 2HG1 ILE 611 -5.684 0.062 -0.702 218 HG21 ILE 611 1HG2 ILE 611 -7.879 2.368 1.344 219 HG22 ILE 611 2HG2 ILE 611 -8.857 1.062 0.686 220 HG23 ILE 611 3HG2 ILE 611 -8.967 2.682 -0.009 221 HD11 ILE 611 3HD1 ILE 611 -5.802 1.603 1.881 222 HD12 ILE 611 1HD1 ILE 611 -4.616 1.823 0.594 223 HD13 ILE 611 2HD1 ILE 611 -4.667 0.309 1.497 224 H PHE 612 H PHE 612 -7.373 3.270 -3.449 225 HA PHE 612 HA PHE 612 -10.180 3.937 -3.678 226 HB2 PHE 612 1HB PHE 612 -9.297 4.778 -1.416 227 HB3 PHE 612 2HB PHE 612 -8.366 5.940 -2.350 228 HD1 PHE 612 HD2 PHE 612 -11.869 4.690 -2.651 229 HD2 PHE 612 HD1 PHE 612 -9.278 8.012 -2.090 230 HE1 PHE 612 HE2 PHE 612 -13.812 6.199 -2.663 231 HE2 PHE 612 HE1 PHE 612 -11.213 9.528 -2.091 232 HZ PHE 612 HZ PHE 612 -13.482 8.625 -2.381 233 HA PRO 613 HA PRO 613 -7.847 5.255 -7.317 234 HB2 PRO 613 1HB PRO 613 -9.815 4.831 -9.135 235 HB3 PRO 613 2HB PRO 613 -8.864 3.510 -8.442 236 HG2 PRO 613 1HG PRO 613 -11.646 4.382 -7.816 237 HG3 PRO 613 2HG PRO 613 -10.953 2.753 -7.819 238 HD2 PRO 613 1HD PRO 613 -11.428 4.325 -5.543 239 HD3 PRO 613 2HD PRO 613 -10.356 2.905 -5.634 240 H THR 614 H THR 614 -11.176 6.362 -6.599 241 HA THR 614 HA THR 614 -11.050 8.593 -8.353 242 HB THR 614 HB THR 614 -13.111 9.350 -7.075 243 HG1 THR 614 HG1 THR 614 -12.450 8.140 -5.129 244 HG21 THR 614 1HG2 THR 614 -13.091 6.533 -8.179 245 HG22 THR 614 2HG2 THR 614 -13.255 8.012 -9.126 246 HG23 THR 614 3HG2 THR 614 -14.516 7.552 -7.981 247 HA PRO 615 HA PRO 615 -8.833 11.226 -5.384 248 HB2 PRO 615 1HB PRO 615 -8.306 12.983 -7.625 249 HB3 PRO 615 2HB PRO 615 -7.162 11.960 -6.738 250 HG2 PRO 615 1HG PRO 615 -7.848 11.493 -9.346 251 HG3 PRO 615 2HG PRO 615 -7.349 10.202 -8.227 252 HD2 PRO 615 1HD PRO 615 -10.127 11.060 -9.032 253 HD3 PRO 615 2HD PRO 615 -9.463 9.411 -8.911 254 H ASP 616 H ASP 616 -11.261 11.531 -4.850 255 HA ASP 616 HA ASP 616 -12.674 13.718 -6.015 256 HB2 ASP 616 1HB ASP 616 -13.777 11.823 -4.793 257 HB3 ASP 616 2HB ASP 616 -13.081 12.429 -3.292 258 HA PRO 617 HA PRO 617 -10.363 17.042 -4.256 259 HB2 PRO 617 1HB PRO 617 -12.445 18.921 -4.296 260 HB3 PRO 617 2HB PRO 617 -11.336 18.571 -5.628 261 HG2 PRO 617 1HG PRO 617 -14.107 17.577 -5.146 262 HG3 PRO 617 2HG PRO 617 -13.320 18.030 -6.672 263 HD2 PRO 617 1HD PRO 617 -13.671 15.466 -6.002 264 HD3 PRO 617 2HD PRO 617 -12.202 15.999 -6.857 265 H ALA 618 H ALA 618 -13.459 16.055 -2.863 266 HA ALA 618 HA ALA 618 -12.976 17.611 -0.456 267 HB1 ALA 618 3HB ALA 618 -15.075 16.627 0.352 268 HB2 ALA 618 1HB ALA 618 -15.152 15.618 -1.093 269 HB3 ALA 618 2HB ALA 618 -15.271 17.372 -1.234 270 H ALA 619 H ALA 619 -13.227 14.192 -1.368 271 HA ALA 619 HA ALA 619 -12.397 13.063 1.032 272 HB1 ALA 619 3HB ALA 619 -11.824 12.003 -1.731 273 HB2 ALA 619 1HB ALA 619 -13.350 11.805 -0.868 274 HB3 ALA 619 2HB ALA 619 -11.876 11.075 -0.233 275 H LEU 620 H LEU 620 -10.511 14.531 -1.526 276 HA LEU 620 HA LEU 620 -7.956 13.618 -0.741 277 HB2 LEU 620 1HB LEU 620 -8.969 15.216 -2.752 278 HB3 LEU 620 2HB LEU 620 -8.048 16.353 -1.791 279 HG LEU 620 HG LEU 620 -6.686 15.520 -3.602 280 HD11 LEU 620 1HD1 LEU 620 -5.803 14.326 -0.980 281 HD12 LEU 620 2HD1 LEU 620 -5.544 15.989 -1.503 282 HD13 LEU 620 3HD1 LEU 620 -4.769 14.664 -2.367 283 HD21 LEU 620 3HD2 LEU 620 -6.098 13.163 -3.807 284 HD22 LEU 620 1HD2 LEU 620 -7.836 13.406 -3.989 285 HD23 LEU 620 2HD2 LEU 620 -7.187 12.767 -2.478 286 H LYS 621 H LYS 621 -10.046 16.150 0.406 287 HA LYS 621 HA LYS 621 -7.986 17.182 2.214 288 HB2 LYS 621 1HB LYS 621 -10.803 18.166 1.646 289 HB3 LYS 621 2HB LYS 621 -9.626 18.969 2.680 290 HG2 LYS 621 1HG LYS 621 -8.197 19.426 0.819 291 HG3 LYS 621 2HG LYS 621 -9.195 18.440 -0.251 292 HD2 LYS 621 1HD LYS 621 -9.614 20.833 -0.571 293 HD3 LYS 621 2HD LYS 621 -11.048 19.995 0.019 294 HE2 LYS 621 1HE LYS 621 -10.646 20.801 2.259 295 HE3 LYS 621 2HE LYS 621 -9.132 21.545 1.752 296 HZ1 LYS 621 3HZ LYS 621 -11.833 22.304 0.785 297 HZ2 LYS 621 1HZ LYS 621 -10.380 23.026 0.315 298 HZ3 LYS 621 2HZ LYS 621 -10.915 23.164 1.911 299 H ASP 622 H ASP 622 -9.608 14.560 2.383 300 HA ASP 622 HA ASP 622 -10.984 14.983 4.937 301 HB2 ASP 622 1HB ASP 622 -12.306 13.870 3.223 302 HB3 ASP 622 2HB ASP 622 -11.054 12.651 2.996 303 H ARG 623 H ARG 623 -10.267 14.165 6.786 304 HA ARG 623 HA ARG 623 -7.633 13.415 7.160 305 HB2 ARG 623 1HB ARG 623 -10.066 13.095 8.898 306 HB3 ARG 623 2HB ARG 623 -8.461 12.631 9.443 307 HG2 ARG 623 1HG ARG 623 -9.298 15.392 8.576 308 HG3 ARG 623 2HG ARG 623 -9.053 14.849 10.238 309 HD2 ARG 623 1HD ARG 623 -6.700 14.307 9.643 310 HD3 ARG 623 2HD ARG 623 -6.978 15.024 8.060 311 HE ARG 623 HE ARG 623 -7.571 16.771 10.272 312 HH11 ARG 623 1HH1 ARG 623 -5.147 15.653 8.006 313 HH12 ARG 623 2HH1 ARG 623 -4.092 17.007 8.279 314 HH21 ARG 623 1HH2 ARG 623 -6.192 18.562 10.610 315 HH22 ARG 623 2HH2 ARG 623 -4.693 18.665 9.746 316 H ARG 624 H ARG 624 -10.434 11.339 6.617 317 HA ARG 624 HA ARG 624 -9.222 8.998 7.685 318 HB2 ARG 624 1HB ARG 624 -11.592 9.349 5.858 319 HB3 ARG 624 2HB ARG 624 -10.977 7.755 6.261 320 HG2 ARG 624 1HG ARG 624 -11.233 8.812 8.735 321 HG3 ARG 624 2HG ARG 624 -12.529 9.655 7.887 322 HD2 ARG 624 1HD ARG 624 -13.484 7.650 8.818 323 HD3 ARG 624 2HD ARG 624 -13.333 7.410 7.072 324 HE ARG 624 HE ARG 624 -11.020 6.429 8.319 325 HH11 ARG 624 1HH1 ARG 624 -14.432 5.704 8.064 326 HH12 ARG 624 2HH1 ARG 624 -14.231 4.004 8.358 327 HH21 ARG 624 1HH2 ARG 624 -10.742 4.188 8.734 328 HH22 ARG 624 2HH2 ARG 624 -12.126 3.139 8.764 329 H MET 625 H MET 625 -9.360 10.366 4.418 330 HA MET 625 HA MET 625 -8.170 8.240 3.062 331 HB2 MET 625 1HB MET 625 -9.058 9.970 1.715 332 HB3 MET 625 2HB MET 625 -8.091 11.204 2.509 333 HG2 MET 625 1HG MET 625 -6.040 10.158 1.561 334 HG3 MET 625 2HG MET 625 -7.077 9.028 0.688 335 HE1 MET 625 3HE MET 625 -8.888 11.279 -1.887 336 HE2 MET 625 1HE MET 625 -9.481 10.698 -0.332 337 HE3 MET 625 2HE MET 625 -8.537 9.631 -1.369 338 H GLU 626 H GLU 626 -6.688 10.809 4.972 339 HA GLU 626 HA GLU 626 -4.024 10.341 4.218 340 HB2 GLU 626 1HB GLU 626 -5.144 11.449 6.793 341 HB3 GLU 626 2HB GLU 626 -3.441 11.477 6.357 342 HG2 GLU 626 1HG GLU 626 -3.990 12.832 4.383 343 HG3 GLU 626 2HG GLU 626 -5.679 12.838 4.881 344 H ASN 627 H ASN 627 -6.078 8.884 6.668 345 HA ASN 627 HA ASN 627 -4.098 7.488 8.092 346 HB2 ASN 627 1HB ASN 627 -7.028 6.903 7.666 347 HB3 ASN 627 2HB ASN 627 -5.997 5.898 8.679 348 HD21 ASN 627 1HD2 ASN 627 -5.542 9.352 8.488 349 HD22 ASN 627 2HD2 ASN 627 -6.121 9.713 10.076 350 H LEU 628 H LEU 628 -5.964 6.594 5.207 351 HA LEU 628 HA LEU 628 -4.929 3.921 5.118 352 HB2 LEU 628 1HB LEU 628 -6.189 3.612 3.210 353 HB3 LEU 628 2HB LEU 628 -7.079 4.924 3.953 354 HG LEU 628 HG LEU 628 -5.627 6.435 2.374 355 HD11 LEU 628 1HD1 LEU 628 -5.182 5.300 0.220 356 HD12 LEU 628 2HD1 LEU 628 -5.498 3.755 1.003 357 HD13 LEU 628 3HD1 LEU 628 -4.136 4.746 1.525 358 HD21 LEU 628 3HD2 LEU 628 -8.092 6.059 2.335 359 HD22 LEU 628 1HD2 LEU 628 -7.817 4.712 1.235 360 HD23 LEU 628 2HD2 LEU 628 -7.379 6.351 0.749 361 H VAL 629 H VAL 629 -3.944 7.017 3.751 362 HA VAL 629 HA VAL 629 -1.893 5.992 2.064 363 HB VAL 629 HB VAL 629 -2.120 8.726 3.347 364 HG11 VAL 629 1HG1 VAL 629 -0.607 9.458 1.557 365 HG12 VAL 629 2HG1 VAL 629 -0.442 7.786 1.024 366 HG13 VAL 629 3HG1 VAL 629 0.152 8.267 2.612 367 HG21 VAL 629 3HG2 VAL 629 -3.027 9.434 1.180 368 HG22 VAL 629 1HG2 VAL 629 -4.047 8.221 1.951 369 HG23 VAL 629 2HG2 VAL 629 -2.983 7.764 0.622 370 H ALA 630 H ALA 630 -1.943 7.327 5.336 371 HA ALA 630 HA ALA 630 0.749 6.975 5.965 372 HB1 ALA 630 3HB ALA 630 -0.005 7.061 8.322 373 HB2 ALA 630 1HB ALA 630 -1.674 6.966 7.763 374 HB3 ALA 630 2HB ALA 630 -0.675 8.350 7.327 375 H TYR 631 H TYR 631 -1.983 4.736 6.175 376 HA TYR 631 HA TYR 631 -0.622 2.621 7.439 377 HB2 TYR 631 1HB TYR 631 -3.124 2.732 7.075 378 HB3 TYR 631 2HB TYR 631 -2.831 2.305 5.392 379 HD1 TYR 631 HD1 TYR 631 -1.925 1.109 8.810 380 HD2 TYR 631 HD2 TYR 631 -3.024 0.069 4.835 381 HE1 TYR 631 HE1 TYR 631 -1.948 -1.263 9.446 382 HE2 TYR 631 HE2 TYR 631 -3.045 -2.311 5.463 383 HH TYR 631 HH TYR 631 -2.060 -3.771 7.170 384 H ALA 632 H ALA 632 -0.880 3.566 4.034 385 HA ALA 632 HA ALA 632 0.483 1.352 2.940 386 HB1 ALA 632 3HB ALA 632 0.823 2.746 0.968 387 HB2 ALA 632 1HB ALA 632 0.383 4.184 1.888 388 HB3 ALA 632 2HB ALA 632 -0.822 2.936 1.572 389 H LYS 633 H LYS 633 1.651 4.541 4.064 390 HA LYS 633 HA LYS 633 4.360 4.270 3.737 391 HB2 LYS 633 1HB LYS 633 2.812 5.409 6.050 392 HB3 LYS 633 2HB LYS 633 4.506 5.713 5.757 393 HG2 LYS 633 1HG LYS 633 2.128 6.624 4.173 394 HG3 LYS 633 2HG LYS 633 3.350 7.608 4.976 395 HD2 LYS 633 1HD LYS 633 5.027 6.775 3.364 396 HD3 LYS 633 2HD LYS 633 3.746 5.876 2.546 397 HE2 LYS 633 1HE LYS 633 4.230 8.003 1.422 398 HE3 LYS 633 2HE LYS 633 2.580 7.940 2.038 399 HZ1 LYS 633 3HZ LYS 633 3.335 9.226 3.972 400 HZ2 LYS 633 1HZ LYS 633 3.542 10.067 2.519 401 HZ3 LYS 633 2HZ LYS 633 4.873 9.355 3.280 402 H LYS 634 H LYS 634 2.433 3.293 6.520 403 HA LYS 634 HA LYS 634 4.398 2.092 8.054 404 HB2 LYS 634 1HB LYS 634 2.148 2.453 8.897 405 HB3 LYS 634 2HB LYS 634 1.492 1.319 7.727 406 HG2 LYS 634 1HG LYS 634 1.584 0.275 9.887 407 HG3 LYS 634 2HG LYS 634 2.760 -0.494 8.819 408 HD2 LYS 634 1HD LYS 634 4.513 0.984 9.821 409 HD3 LYS 634 2HD LYS 634 3.306 1.527 10.988 410 HE2 LYS 634 1HE LYS 634 4.678 -0.235 11.942 411 HE3 LYS 634 2HE LYS 634 3.014 -0.787 11.746 412 HZ1 LYS 634 3HZ LYS 634 3.647 -1.976 9.770 413 HZ2 LYS 634 1HZ LYS 634 4.661 -2.441 11.040 414 HZ3 LYS 634 2HZ LYS 634 5.224 -1.375 9.856 415 H VAL 635 H VAL 635 2.360 0.621 5.543 416 HA VAL 635 HA VAL 635 3.443 -1.921 5.534 417 HB VAL 635 HB VAL 635 2.192 -0.271 3.365 418 HG11 VAL 635 1HG1 VAL 635 2.222 -2.253 1.899 419 HG12 VAL 635 2HG1 VAL 635 3.289 -3.063 3.043 420 HG13 VAL 635 3HG1 VAL 635 3.842 -1.621 2.197 421 HG21 VAL 635 3HG2 VAL 635 0.419 -1.890 3.565 422 HG22 VAL 635 1HG2 VAL 635 0.826 -1.287 5.170 423 HG23 VAL 635 2HG2 VAL 635 1.394 -2.878 4.652 424 H GLU 636 H GLU 636 4.549 0.852 3.547 425 HA GLU 636 HA GLU 636 6.622 -0.510 2.276 426 HB2 GLU 636 1HB GLU 636 7.479 1.531 1.517 427 HB3 GLU 636 2HB GLU 636 5.764 1.819 1.708 428 HG2 GLU 636 1HG GLU 636 6.672 3.758 2.529 429 HG3 GLU 636 2HG GLU 636 6.456 2.837 4.009 430 H GLY 637 H GLY 637 6.645 1.124 5.396 431 HA2 GLY 637 1HA GLY 637 9.399 0.793 5.934 432 HA3 GLY 637 2HA GLY 637 8.144 0.993 7.146 433 H ASP 638 H ASP 638 6.613 -1.234 6.834 434 HA ASP 638 HA ASP 638 8.119 -3.206 8.174 435 HB2 ASP 638 1HB ASP 638 5.678 -2.924 8.447 436 HB3 ASP 638 2HB ASP 638 5.438 -3.508 6.799 437 H MET 639 H MET 639 6.980 -2.965 4.836 438 HA MET 639 HA MET 639 7.869 -5.458 3.911 439 HB2 MET 639 1HB MET 639 7.787 -2.841 2.360 440 HB3 MET 639 2HB MET 639 7.986 -4.438 1.641 441 HG2 MET 639 1HG MET 639 5.579 -3.631 3.249 442 HG3 MET 639 2HG MET 639 5.679 -3.465 1.491 443 HE1 MET 639 3HE MET 639 3.302 -6.490 1.786 444 HE2 MET 639 1HE MET 639 3.566 -4.863 1.161 445 HE3 MET 639 2HE MET 639 3.353 -5.117 2.895 446 H TYR 640 H TYR 640 9.565 -2.425 4.318 447 HA TYR 640 HA TYR 640 11.810 -2.893 2.814 448 HB2 TYR 640 1HB TYR 640 11.218 -0.767 4.146 449 HB3 TYR 640 2HB TYR 640 12.089 -1.521 5.478 450 HD1 TYR 640 HD2 TYR 640 12.695 -1.215 1.800 451 HD2 TYR 640 HD1 TYR 640 14.206 -0.575 5.728 452 HE1 TYR 640 HE2 TYR 640 14.801 -0.393 0.852 453 HE2 TYR 640 HE1 TYR 640 16.316 0.245 4.786 454 HH TYR 640 HH TYR 640 16.690 0.977 1.451 455 H GLU 641 H GLU 641 11.169 -4.197 6.041 456 HA GLU 641 HA GLU 641 13.826 -5.217 6.414 457 HB2 GLU 641 1HB GLU 641 11.194 -5.806 7.715 458 HB3 GLU 641 2HB GLU 641 12.572 -6.871 8.024 459 HG2 GLU 641 1HG GLU 641 12.572 -5.269 9.807 460 HG3 GLU 641 2HG GLU 641 13.840 -4.712 8.704 461 H SER 642 H SER 642 10.797 -6.724 5.352 462 HA SER 642 HA SER 642 11.898 -9.250 4.718 463 HB2 SER 642 1HB SER 642 9.414 -8.527 5.046 464 HB3 SER 642 2HB SER 642 9.476 -8.138 3.329 465 HG SER 642 HG SER 642 10.296 -10.385 3.079 466 H ALA 643 H ALA 643 11.390 -6.331 2.889 467 HA ALA 643 HA ALA 643 11.861 -7.070 0.281 468 HB1 ALA 643 3HB ALA 643 12.339 -4.746 -0.132 469 HB2 ALA 643 1HB ALA 643 12.626 -4.476 1.587 470 HB3 ALA 643 2HB ALA 643 11.012 -4.902 1.019 471 H ASN 644 H ASN 644 13.936 -8.244 2.099 472 HA ASN 644 HA ASN 644 16.399 -6.887 1.400 473 HB2 ASN 644 1HB ASN 644 15.963 -7.941 3.642 474 HB3 ASN 644 2HB ASN 644 16.062 -9.526 2.893 475 HD21 ASN 644 1HD2 ASN 644 18.293 -10.128 1.962 476 HD22 ASN 644 2HD2 ASN 644 19.698 -9.348 2.616 477 H SER 645 H SER 645 14.541 -8.188 -0.600 478 HA SER 645 HA SER 645 16.641 -9.101 -2.317 479 HB2 SER 645 1HB SER 645 14.378 -10.997 -1.617 480 HB3 SER 645 2HB SER 645 15.518 -11.231 -2.939 481 HG SER 645 HG SER 645 16.690 -10.761 -0.488 482 H ARG 646 H ARG 646 16.114 -8.597 -4.452 483 HA ARG 646 HA ARG 646 14.233 -6.583 -4.791 484 HB2 ARG 646 1HB ARG 646 15.622 -8.337 -6.804 485 HB3 ARG 646 2HB ARG 646 14.557 -7.028 -7.286 486 HG2 ARG 646 1HG ARG 646 16.944 -6.620 -5.507 487 HG3 ARG 646 2HG ARG 646 17.017 -6.507 -7.265 488 HD2 ARG 646 1HD ARG 646 15.274 -4.837 -5.450 489 HD3 ARG 646 2HD ARG 646 16.756 -4.303 -6.242 490 HE ARG 646 HE ARG 646 14.655 -5.288 -7.990 491 HH11 ARG 646 1HH1 ARG 646 16.203 -2.494 -6.548 492 HH12 ARG 646 2HH1 ARG 646 15.561 -1.384 -7.713 493 HH21 ARG 646 1HH2 ARG 646 13.796 -3.829 -9.509 494 HH22 ARG 646 2HH2 ARG 646 14.175 -2.137 -9.390 495 H ASP 647 H ASP 647 13.979 -9.950 -5.896 496 HA ASP 647 HA ASP 647 11.429 -9.678 -7.055 497 HB2 ASP 647 1HB ASP 647 12.773 -11.556 -7.677 498 HB3 ASP 647 2HB ASP 647 12.882 -12.110 -6.009 499 H GLU 648 H GLU 648 12.426 -10.638 -3.809 500 HA GLU 648 HA GLU 648 9.928 -11.442 -2.844 501 HB2 GLU 648 1HB GLU 648 12.162 -11.756 -1.697 502 HB3 GLU 648 2HB GLU 648 12.062 -10.075 -1.185 503 HG2 GLU 648 1HG GLU 648 10.095 -10.520 0.105 504 HG3 GLU 648 2HG GLU 648 9.988 -12.146 -0.552 505 H TYR 649 H TYR 649 11.493 -8.271 -2.821 506 HA TYR 649 HA TYR 649 9.612 -6.879 -1.322 507 HB2 TYR 649 1HB TYR 649 11.865 -6.023 -2.078 508 HB3 TYR 649 2HB TYR 649 11.150 -5.718 -3.658 509 HD1 TYR 649 HD2 TYR 649 9.112 -5.156 -0.676 510 HD2 TYR 649 HD1 TYR 649 11.771 -3.355 -3.468 511 HE1 TYR 649 HE2 TYR 649 8.394 -2.936 0.081 512 HE2 TYR 649 HE1 TYR 649 11.062 -1.128 -2.711 513 HH TYR 649 HH TYR 649 9.003 -0.132 -1.602 514 H TYR 650 H TYR 650 9.708 -7.309 -4.885 515 HA TYR 650 HA TYR 650 7.434 -5.761 -5.368 516 HB2 TYR 650 1HB TYR 650 9.062 -7.725 -6.920 517 HB3 TYR 650 2HB TYR 650 7.538 -7.156 -7.564 518 HD1 TYR 650 HD1 TYR 650 7.184 -4.684 -7.861 519 HD2 TYR 650 HD2 TYR 650 11.004 -6.381 -7.079 520 HE1 TYR 650 HE1 TYR 650 8.253 -2.641 -8.696 521 HE2 TYR 650 HE2 TYR 650 12.087 -4.337 -7.915 522 HH TYR 650 HH TYR 650 11.554 -2.457 -9.424 523 H HIS 651 H HIS 651 7.866 -9.204 -4.656 524 HA HIS 651 HA HIS 651 5.278 -9.992 -5.553 525 HB2 HIS 651 1HB HIS 651 6.948 -11.703 -5.341 526 HB3 HIS 651 2HB HIS 651 7.222 -11.304 -3.647 527 HD1 HIS 651 HD1 HIS 651 6.198 -12.960 -2.137 528 HD2 HIS 651 HD2 HIS 651 3.980 -12.506 -5.625 529 HE1 HIS 651 HE1 HIS 651 4.227 -14.501 -1.895 530 HE2 HIS 651 HE2 HIS 651 2.839 -14.127 -3.961 531 H LEU 652 H LEU 652 6.608 -8.977 -2.446 532 HA LEU 652 HA LEU 652 4.418 -9.716 -0.856 533 HB2 LEU 652 1HB LEU 652 6.369 -7.454 -0.439 534 HB3 LEU 652 2HB LEU 652 5.330 -8.143 0.792 535 HG LEU 652 HG LEU 652 7.538 -9.625 -0.638 536 HD11 LEU 652 1HD1 LEU 652 8.708 -9.495 1.512 537 HD12 LEU 652 2HD1 LEU 652 7.421 -8.464 2.137 538 HD13 LEU 652 3HD1 LEU 652 8.433 -7.902 0.805 539 HD21 LEU 652 3HD2 LEU 652 7.175 -11.334 1.097 540 HD22 LEU 652 1HD2 LEU 652 5.760 -11.123 0.066 541 HD23 LEU 652 2HD2 LEU 652 5.784 -10.424 1.684 542 H LEU 653 H LEU 653 5.229 -6.577 -2.307 543 HA LEU 653 HA LEU 653 2.887 -5.255 -1.484 544 HB2 LEU 653 1HB LEU 653 4.804 -4.720 -3.742 545 HB3 LEU 653 2HB LEU 653 3.452 -3.664 -3.374 546 HG LEU 653 HG LEU 653 5.320 -4.319 -1.156 547 HD11 LEU 653 1HD1 LEU 653 6.765 -2.420 -1.897 548 HD12 LEU 653 2HD1 LEU 653 5.959 -2.503 -3.464 549 HD13 LEU 653 3HD1 LEU 653 6.899 -3.875 -2.882 550 HD21 LEU 653 3HD2 LEU 653 3.915 -1.794 -2.028 551 HD22 LEU 653 1HD2 LEU 653 4.824 -2.016 -0.535 552 HD23 LEU 653 2HD2 LEU 653 3.333 -2.920 -0.801 553 H ALA 654 H ALA 654 3.685 -6.842 -4.592 554 HA ALA 654 HA ALA 654 1.267 -6.281 -5.882 555 HB1 ALA 654 3HB ALA 654 3.254 -7.081 -7.050 556 HB2 ALA 654 1HB ALA 654 1.852 -8.091 -7.407 557 HB3 ALA 654 2HB ALA 654 3.080 -8.656 -6.275 558 H GLU 655 H GLU 655 2.204 -9.047 -3.889 559 HA GLU 655 HA GLU 655 -0.176 -10.523 -4.232 560 HB2 GLU 655 1HB GLU 655 1.618 -11.775 -3.361 561 HB3 GLU 655 2HB GLU 655 1.950 -10.574 -2.110 562 HG2 GLU 655 1HG GLU 655 0.010 -11.251 -0.885 563 HG3 GLU 655 2HG GLU 655 -0.513 -12.301 -2.201 564 H LYS 656 H LYS 656 0.790 -8.114 -1.837 565 HA LYS 656 HA LYS 656 -1.499 -8.239 -0.217 566 HB2 LYS 656 1HB LYS 656 0.468 -7.050 0.534 567 HB3 LYS 656 2HB LYS 656 0.355 -5.925 -0.815 568 HG2 LYS 656 1HG LYS 656 -1.835 -5.170 0.088 569 HG3 LYS 656 2HG LYS 656 -1.546 -6.185 1.499 570 HD2 LYS 656 1HD LYS 656 0.342 -4.019 0.604 571 HD3 LYS 656 2HD LYS 656 -0.964 -3.747 1.756 572 HE2 LYS 656 1HE LYS 656 1.265 -5.745 2.095 573 HE3 LYS 656 2HE LYS 656 1.213 -4.149 2.839 574 HZ1 LYS 656 3HZ LYS 656 -0.904 -4.875 3.915 575 HZ2 LYS 656 1HZ LYS 656 0.475 -5.711 4.430 576 HZ3 LYS 656 2HZ LYS 656 -0.596 -6.441 3.346 577 H ILE 657 H ILE 657 -0.792 -6.301 -3.103 578 HA ILE 657 HA ILE 657 -3.157 -4.759 -3.043 579 HB ILE 657 HB ILE 657 -1.364 -5.484 -5.380 580 HG12 ILE 657 1HG1 ILE 657 -1.545 -2.978 -3.687 581 HG13 ILE 657 2HG1 ILE 657 -0.290 -4.205 -3.554 582 HG21 ILE 657 1HG2 ILE 657 -2.396 -3.574 -6.538 583 HG22 ILE 657 2HG2 ILE 657 -3.539 -3.396 -5.208 584 HG23 ILE 657 3HG2 ILE 657 -3.564 -4.853 -6.202 585 HD11 ILE 657 3HD1 ILE 657 0.484 -2.261 -4.788 586 HD12 ILE 657 1HD1 ILE 657 -0.815 -2.476 -5.960 587 HD13 ILE 657 2HD1 ILE 657 0.453 -3.694 -5.817 588 H TYR 658 H TYR 658 -2.371 -7.822 -4.664 589 HA TYR 658 HA TYR 658 -4.804 -8.079 -6.062 590 HB2 TYR 658 1HB TYR 658 -2.664 -9.493 -6.355 591 HB3 TYR 658 2HB TYR 658 -3.283 -10.467 -5.025 592 HD1 TYR 658 HD2 TYR 658 -5.177 -8.919 -7.852 593 HD2 TYR 658 HD1 TYR 658 -3.799 -12.526 -6.039 594 HE1 TYR 658 HE2 TYR 658 -6.521 -10.229 -9.429 595 HE2 TYR 658 HE1 TYR 658 -5.140 -13.830 -7.619 596 HH TYR 658 HH TYR 658 -6.458 -12.560 -10.409 597 H LYS 659 H LYS 659 -3.874 -8.993 -2.773 598 HA LYS 659 HA LYS 659 -6.192 -10.419 -2.091 599 HB2 LYS 659 1HB LYS 659 -4.428 -8.680 -0.356 600 HB3 LYS 659 2HB LYS 659 -5.676 -9.750 0.263 601 HG2 LYS 659 1HG LYS 659 -3.243 -10.596 -1.290 602 HG3 LYS 659 2HG LYS 659 -3.472 -10.747 0.452 603 HD2 LYS 659 1HD LYS 659 -5.451 -12.187 0.001 604 HD3 LYS 659 2HD LYS 659 -5.051 -12.125 -1.718 605 HE2 LYS 659 1HE LYS 659 -2.827 -13.066 -1.182 606 HE3 LYS 659 2HE LYS 659 -3.335 -13.217 0.499 607 HZ1 LYS 659 3HZ LYS 659 -3.565 -15.293 -0.753 608 HZ2 LYS 659 1HZ LYS 659 -4.667 -14.547 -1.796 609 HZ3 LYS 659 2HZ LYS 659 -5.052 -14.746 -0.159 610 H ILE 660 H ILE 660 -5.443 -6.964 -1.787 611 HA ILE 660 HA ILE 660 -7.937 -6.196 -0.753 612 HB ILE 660 HB ILE 660 -5.564 -4.830 -1.617 613 HG12 ILE 660 1HG1 ILE 660 -7.924 -3.992 0.063 614 HG13 ILE 660 2HG1 ILE 660 -6.504 -4.854 0.637 615 HG21 ILE 660 1HG2 ILE 660 -6.752 -3.932 -3.504 616 HG22 ILE 660 2HG2 ILE 660 -6.663 -2.675 -2.277 617 HG23 ILE 660 3HG2 ILE 660 -8.163 -3.572 -2.509 618 HD11 ILE 660 3HD1 ILE 660 -5.110 -2.944 0.121 619 HD12 ILE 660 1HD1 ILE 660 -6.440 -2.473 1.178 620 HD13 ILE 660 2HD1 ILE 660 -6.501 -2.087 -0.542 621 H GLN 661 H GLN 661 -6.846 -6.754 -4.027 622 HA GLN 661 HA GLN 661 -9.016 -5.408 -5.312 623 HB2 GLN 661 1HB GLN 661 -7.144 -7.554 -6.365 624 HB3 GLN 661 2HB GLN 661 -8.372 -6.767 -7.340 625 HG2 GLN 661 1HG GLN 661 -7.284 -4.600 -7.012 626 HG3 GLN 661 2HG GLN 661 -6.092 -5.345 -5.957 627 HE21 GLN 661 1HE2 GLN 661 -5.759 -3.872 -8.460 628 HE22 GLN 661 2HE2 GLN 661 -4.875 -4.932 -9.502 629 H LYS 662 H LYS 662 -8.396 -8.736 -4.339 630 HA LYS 662 HA LYS 662 -10.809 -9.825 -5.319 631 HB2 LYS 662 1HB LYS 662 -8.903 -11.240 -4.774 632 HB3 LYS 662 2HB LYS 662 -9.002 -10.764 -3.086 633 HG2 LYS 662 1HG LYS 662 -9.923 -13.000 -3.481 634 HG3 LYS 662 2HG LYS 662 -11.130 -11.882 -2.847 635 HD2 LYS 662 1HD LYS 662 -12.078 -13.251 -4.621 636 HD3 LYS 662 2HD LYS 662 -12.011 -11.561 -5.118 637 HE2 LYS 662 1HE LYS 662 -9.968 -12.026 -6.386 638 HE3 LYS 662 2HE LYS 662 -10.046 -13.716 -5.890 639 HZ1 LYS 662 3HZ LYS 662 -10.942 -13.360 -8.118 640 HZ2 LYS 662 1HZ LYS 662 -12.117 -12.307 -7.498 641 HZ3 LYS 662 2HZ LYS 662 -12.125 -13.946 -7.067 642 H GLU 663 H GLU 663 -9.897 -8.387 -2.213 643 HA GLU 663 HA GLU 663 -12.249 -9.053 -0.822 644 HB2 GLU 663 1HB GLU 663 -10.299 -6.788 -0.454 645 HB3 GLU 663 2HB GLU 663 -11.642 -7.077 0.635 646 HG2 GLU 663 1HG GLU 663 -9.449 -9.053 0.051 647 HG3 GLU 663 2HG GLU 663 -9.511 -7.993 1.460 648 H LEU 664 H LEU 664 -11.400 -6.212 -2.767 649 HA LEU 664 HA LEU 664 -13.694 -4.700 -2.200 650 HB2 LEU 664 1HB LEU 664 -12.010 -4.701 -4.703 651 HB3 LEU 664 2HB LEU 664 -13.179 -3.463 -4.275 652 HG LEU 664 HG LEU 664 -10.721 -4.114 -2.648 653 HD11 LEU 664 1HD1 LEU 664 -11.223 -1.872 -4.602 654 HD12 LEU 664 2HD1 LEU 664 -10.108 -3.219 -4.829 655 HD13 LEU 664 3HD1 LEU 664 -9.812 -2.035 -3.558 656 HD21 LEU 664 3HD2 LEU 664 -11.228 -1.978 -1.552 657 HD22 LEU 664 1HD2 LEU 664 -12.524 -3.153 -1.335 658 HD23 LEU 664 2HD2 LEU 664 -12.705 -1.847 -2.506 659 H GLU 665 H GLU 665 -13.056 -6.953 -4.907 660 HA GLU 665 HA GLU 665 -15.589 -6.554 -6.100 661 HB2 GLU 665 1HB GLU 665 -15.106 -8.650 -7.356 662 HB3 GLU 665 2HB GLU 665 -13.834 -7.443 -7.462 663 HG2 GLU 665 1HG GLU 665 -12.523 -8.657 -5.824 664 HG3 GLU 665 2HG GLU 665 -13.809 -9.850 -5.661 665 H GLU 666 H GLU 666 -14.375 -8.861 -3.728 666 HA GLU 666 HA GLU 666 -16.571 -10.562 -3.545 667 HB2 GLU 666 1HB GLU 666 -14.484 -11.028 -2.390 668 HB3 GLU 666 2HB GLU 666 -14.700 -9.614 -1.368 669 HG2 GLU 666 1HG GLU 666 -16.857 -10.720 -0.586 670 HG3 GLU 666 2HG GLU 666 -16.237 -12.185 -1.345 671 H LYS 667 H LYS 667 -15.991 -7.426 -2.010 672 HA LYS 667 HA LYS 667 -18.263 -7.484 -0.308 673 HB2 LYS 667 1HB LYS 667 -16.859 -5.047 -1.452 674 HB3 LYS 667 2HB LYS 667 -17.913 -5.075 -0.048 675 HG2 LYS 667 1HG LYS 667 -15.143 -6.261 -0.297 676 HG3 LYS 667 2HG LYS 667 -15.680 -4.927 0.725 677 HD2 LYS 667 1HD LYS 667 -16.985 -6.384 2.097 678 HD3 LYS 667 2HD LYS 667 -16.721 -7.740 1.002 679 HE2 LYS 667 1HE LYS 667 -14.480 -6.329 2.427 680 HE3 LYS 667 2HE LYS 667 -15.329 -7.711 3.116 681 HZ1 LYS 667 3HZ LYS 667 -13.258 -8.309 1.937 682 HZ2 LYS 667 1HZ LYS 667 -13.945 -7.745 0.491 683 HZ3 LYS 667 2HZ LYS 667 -14.630 -9.073 1.295 684 H ARG 668 H ARG 668 -17.782 -6.229 -3.609 685 HA ARG 668 HA ARG 668 -20.424 -5.239 -3.750 686 HB2 ARG 668 1HB ARG 668 -18.415 -5.705 -5.937 687 HB3 ARG 668 2HB ARG 668 -19.941 -4.857 -6.150 688 HG2 ARG 668 1HG ARG 668 -19.205 -3.159 -4.534 689 HG3 ARG 668 2HG ARG 668 -17.659 -3.997 -4.380 690 HD2 ARG 668 1HD ARG 668 -17.237 -3.644 -6.766 691 HD3 ARG 668 2HD ARG 668 -18.779 -2.803 -6.914 692 HE ARG 668 HE ARG 668 -17.122 -1.627 -4.915 693 HH11 ARG 668 1HH1 ARG 668 -17.625 -1.808 -8.371 694 HH12 ARG 668 2HH1 ARG 668 -16.922 -0.256 -8.685 695 HH21 ARG 668 1HH2 ARG 668 -16.193 0.425 -5.325 696 HH22 ARG 668 2HH2 ARG 668 -16.110 1.019 -6.952 697 H ARG 669 H ARG 669 -18.923 -8.145 -4.274 698 HA ARG 669 HA ARG 669 -20.914 -9.440 -5.862 699 HB2 ARG 669 1HB ARG 669 -18.587 -10.233 -5.751 700 HB3 ARG 669 2HB ARG 669 -18.790 -10.584 -4.042 701 HG2 ARG 669 1HG ARG 669 -18.895 -12.626 -5.304 702 HG3 ARG 669 2HG ARG 669 -20.483 -12.282 -4.619 703 HD2 ARG 669 1HD ARG 669 -19.786 -11.437 -7.409 704 HD3 ARG 669 2HD ARG 669 -20.326 -13.079 -7.068 705 HE ARG 669 HE ARG 669 -22.193 -11.447 -5.887 706 HH11 ARG 669 1HH1 ARG 669 -20.944 -11.875 -9.138 707 HH12 ARG 669 2HH1 ARG 669 -22.437 -11.423 -9.898 708 HH21 ARG 669 1HH2 ARG 669 -24.150 -10.876 -6.888 709 HH22 ARG 669 2HH2 ARG 669 -24.264 -10.865 -8.619 710 H SER 670 H SER 670 -20.392 -8.896 -2.463 711 HA SER 670 HA SER 670 -22.521 -10.759 -1.724 712 HB2 SER 670 1HB SER 670 -20.725 -9.135 0.091 713 HB3 SER 670 2HB SER 670 -21.725 -10.517 0.536 714 HG SER 670 HG SER 670 -19.454 -10.526 -1.177 715 H ARG 671 H ARG 671 -22.193 -7.650 -2.670 716 HA ARG 671 HA ARG 671 -23.738 -6.114 -0.957 717 HB2 ARG 671 1HB ARG 671 -22.413 -5.280 -2.900 718 HB3 ARG 671 2HB ARG 671 -23.639 -5.935 -3.973 719 HG2 ARG 671 1HG ARG 671 -25.085 -4.357 -2.232 720 HG3 ARG 671 2HG ARG 671 -23.598 -3.443 -2.493 721 HD2 ARG 671 1HD ARG 671 -25.161 -2.772 -4.165 722 HD3 ARG 671 2HD ARG 671 -23.934 -3.764 -4.950 723 HE ARG 671 HE ARG 671 -26.604 -4.774 -4.186 724 HH11 ARG 671 1HH1 ARG 671 -23.920 -4.609 -6.440 725 HH12 ARG 671 2HH1 ARG 671 -24.635 -5.723 -7.561 726 HH21 ARG 671 1HH2 ARG 671 -27.542 -6.231 -5.653 727 HH22 ARG 671 2HH2 ARG 671 -26.699 -6.645 -7.117 728 H LEU 672 H LEU 672 -25.960 -5.467 -1.102 729 HA LEU 672 HA LEU 672 -27.699 -7.687 -1.816 730 HB2 LEU 672 1HB LEU 672 -28.292 -5.054 -0.439 731 HB3 LEU 672 2HB LEU 672 -29.456 -6.347 -0.656 732 HG LEU 672 HG LEU 672 -26.940 -6.485 1.012 733 HD11 LEU 672 1HD1 LEU 672 -28.653 -5.104 2.027 734 HD12 LEU 672 2HD1 LEU 672 -28.499 -6.629 2.897 735 HD13 LEU 672 3HD1 LEU 672 -29.848 -6.377 1.791 736 HD21 LEU 672 3HD2 LEU 672 -27.419 -8.645 0.036 737 HD22 LEU 672 1HD2 LEU 672 -29.105 -8.531 0.545 738 HD23 LEU 672 2HD2 LEU 672 -27.826 -8.660 1.751 739 H1 ASP 840 1H ASP 840 5.526 -10.590 8.745 740 HA ASP 840 HA ASP 840 6.412 -11.008 6.709 741 HB2 ASP 840 1HB ASP 840 4.493 -13.256 7.089 742 HB3 ASP 840 2HB ASP 840 5.107 -12.998 5.456 743 H ALA 841 H ALA 841 5.517 -8.895 6.263 744 HA ALA 841 HA ALA 841 4.744 -7.397 4.808 745 HB1 ALA 841 3HB ALA 841 4.276 -8.067 2.587 746 HB2 ALA 841 1HB ALA 841 3.945 -9.723 3.098 747 HB3 ALA 841 2HB ALA 841 5.575 -9.073 3.227 748 H GLY 842 H GLY 842 2.506 -9.899 5.800 749 HA2 GLY 842 1HA GLY 842 0.292 -9.713 6.391 750 HA3 GLY 842 2HA GLY 842 0.415 -7.979 6.131 751 H ASN 843 H ASN 843 -0.453 -11.022 4.764 752 HA ASN 843 HA ASN 843 -0.620 -10.375 2.061 753 HB2 ASN 843 1HB ASN 843 -2.029 -12.375 3.795 754 HB3 ASN 843 2HB ASN 843 -2.547 -12.153 2.129 755 HD21 ASN 843 1HD2 ASN 843 0.798 -11.692 2.954 756 HD22 ASN 843 2HD2 ASN 843 1.376 -13.137 2.210 757 H ILE 844 H ILE 844 -3.264 -10.323 4.441 758 HA ILE 844 HA ILE 844 -4.815 -8.739 2.500 759 HB ILE 844 HB ILE 844 -6.042 -10.150 4.869 760 HG12 ILE 844 1HG1 ILE 844 -5.524 -11.295 2.106 761 HG13 ILE 844 2HG1 ILE 844 -4.805 -11.860 3.610 762 HG21 ILE 844 1HG2 ILE 844 -7.388 -8.475 3.704 763 HG22 ILE 844 2HG2 ILE 844 -8.040 -10.096 3.450 764 HG23 ILE 844 3HG2 ILE 844 -7.110 -9.309 2.175 765 HD11 ILE 844 3HD1 ILE 844 -7.733 -11.961 2.926 766 HD12 ILE 844 1HD1 ILE 844 -6.988 -12.575 4.400 767 HD13 ILE 844 2HD1 ILE 844 -6.607 -13.315 2.844 768 H LEU 845 H LEU 845 -5.907 -6.864 3.179 769 HA LEU 845 HA LEU 845 -4.680 -5.598 5.500 770 HB2 LEU 845 1HB LEU 845 -6.255 -4.478 3.184 771 HB3 LEU 845 2HB LEU 845 -5.726 -3.508 4.543 772 HG LEU 845 HG LEU 845 -3.353 -4.388 3.912 773 HD11 LEU 845 1HD1 LEU 845 -3.038 -4.853 1.578 774 HD12 LEU 845 2HD1 LEU 845 -4.761 -4.686 1.268 775 HD13 LEU 845 3HD1 LEU 845 -4.169 -6.020 2.259 776 HD21 LEU 845 3HD2 LEU 845 -3.020 -2.480 2.467 777 HD22 LEU 845 1HD2 LEU 845 -4.106 -2.051 3.787 778 HD23 LEU 845 2HD2 LEU 845 -4.754 -2.363 2.179 779 HA PRO 846 HA PRO 846 -8.087 -5.645 8.258 780 HB2 PRO 846 1HB PRO 846 -8.376 -2.905 8.757 781 HB3 PRO 846 2HB PRO 846 -7.316 -4.013 9.629 782 HG2 PRO 846 1HG PRO 846 -6.681 -2.139 7.398 783 HG3 PRO 846 2HG PRO 846 -5.707 -2.572 8.817 784 HD2 PRO 846 1HD PRO 846 -5.144 -3.583 6.417 785 HD3 PRO 846 2HD PRO 846 -5.013 -4.585 7.876 786 H SER 847 H SER 847 -10.170 -5.770 8.068 787 HA SER 847 HA SER 847 -11.593 -5.185 5.764 788 HB2 SER 847 1HB SER 847 -12.292 -6.869 7.437 789 HB3 SER 847 2HB SER 847 -12.717 -5.569 8.551 790 HG SER 847 HG SER 847 -14.282 -4.863 7.034 791 H ASP 848 H ASP 848 -11.145 -3.287 8.678 792 HA ASP 848 HA ASP 848 -13.311 -1.575 8.551 793 HB2 ASP 848 1HB ASP 848 -11.669 -1.729 10.427 794 HB3 ASP 848 2HB ASP 848 -10.527 -0.807 9.453 795 H ILE 849 H ILE 849 -10.100 -1.087 7.052 796 HA ILE 849 HA ILE 849 -10.738 1.421 5.900 797 HB ILE 849 HB ILE 849 -8.699 -0.516 4.775 798 HG12 ILE 849 1HG1 ILE 849 -8.358 -0.250 7.217 799 HG13 ILE 849 2HG1 ILE 849 -7.056 0.481 6.286 800 HG21 ILE 849 1HG2 ILE 849 -7.555 1.551 4.075 801 HG22 ILE 849 2HG2 ILE 849 -8.873 2.505 4.755 802 HG23 ILE 849 3HG2 ILE 849 -9.176 1.436 3.384 803 HD11 ILE 849 3HD1 ILE 849 -9.347 1.965 7.564 804 HD12 ILE 849 1HD1 ILE 849 -8.017 2.690 6.660 805 HD13 ILE 849 2HD1 ILE 849 -7.699 1.863 8.184 806 H MET 850 H MET 850 -10.979 -1.898 4.741 807 HA MET 850 HA MET 850 -11.799 -1.329 2.102 808 HB2 MET 850 1HB MET 850 -12.401 -3.725 3.850 809 HB3 MET 850 2HB MET 850 -12.697 -3.664 2.121 810 HG2 MET 850 1HG MET 850 -9.959 -3.237 3.261 811 HG3 MET 850 2HG MET 850 -10.597 -4.850 2.968 812 HE1 MET 850 3HE MET 850 -9.086 -1.824 -0.093 813 HE2 MET 850 1HE MET 850 -9.212 -1.622 1.652 814 HE3 MET 850 2HE MET 850 -10.631 -1.388 0.627 815 H ASP 851 H ASP 851 -13.593 -1.849 5.095 816 HA ASP 851 HA ASP 851 -16.179 -1.697 4.018 817 HB2 ASP 851 1HB ASP 851 -15.101 -1.061 6.787 818 HB3 ASP 851 2HB ASP 851 -16.814 -0.907 6.390 819 H PHE 852 H PHE 852 -13.945 0.824 5.076 820 HA PHE 852 HA PHE 852 -15.692 2.988 5.066 821 HB2 PHE 852 1HB PHE 852 -13.449 3.180 5.978 822 HB3 PHE 852 2HB PHE 852 -12.746 2.928 4.384 823 HD1 PHE 852 HD1 PHE 852 -15.542 5.115 5.537 824 HD2 PHE 852 HD2 PHE 852 -11.677 4.881 3.766 825 HE1 PHE 852 HE1 PHE 852 -15.581 7.538 5.131 826 HE2 PHE 852 HE2 PHE 852 -11.716 7.305 3.357 827 HZ PHE 852 HZ PHE 852 -13.669 8.638 4.040 828 H VAL 853 H VAL 853 -13.729 1.710 2.357 829 HA VAL 853 HA VAL 853 -14.565 3.725 0.562 830 HB VAL 853 HB VAL 853 -12.538 2.369 0.164 831 HG11 VAL 853 1HG1 VAL 853 -12.692 0.169 -0.865 832 HG12 VAL 853 2HG1 VAL 853 -14.442 0.185 -0.651 833 HG13 VAL 853 3HG1 VAL 853 -13.383 0.160 0.758 834 HG21 VAL 853 3HG2 VAL 853 -12.806 2.186 -2.263 835 HG22 VAL 853 1HG2 VAL 853 -13.518 3.674 -1.637 836 HG23 VAL 853 2HG2 VAL 853 -14.555 2.317 -2.076 837 H LEU 854 H LEU 854 -15.872 0.500 1.254 838 HA LEU 854 HA LEU 854 -17.902 0.553 -0.711 839 HB2 LEU 854 1HB LEU 854 -17.533 -0.944 1.857 840 HB3 LEU 854 2HB LEU 854 -19.087 -0.999 1.058 841 HG LEU 854 HG LEU 854 -17.599 -2.955 0.605 842 HD11 LEU 854 1HD1 LEU 854 -19.433 -2.314 -0.928 843 HD12 LEU 854 2HD1 LEU 854 -18.097 -3.135 -1.729 844 HD13 LEU 854 3HD1 LEU 854 -18.273 -1.391 -1.883 845 HD21 LEU 854 3HD2 LEU 854 -15.747 -2.727 -0.934 846 HD22 LEU 854 1HD2 LEU 854 -15.471 -1.756 0.512 847 HD23 LEU 854 2HD2 LEU 854 -15.981 -0.981 -0.988 848 H LYS 855 H LYS 855 -17.779 1.738 2.616 849 HA LYS 855 HA LYS 855 -20.571 2.411 2.725 850 HB2 LYS 855 1HB LYS 855 -19.319 1.891 4.773 851 HB3 LYS 855 2HB LYS 855 -18.289 3.288 4.515 852 HG2 LYS 855 1HG LYS 855 -19.915 3.827 6.214 853 HG3 LYS 855 2HG LYS 855 -20.274 4.751 4.752 854 HD2 LYS 855 1HD LYS 855 -22.360 4.001 5.447 855 HD3 LYS 855 2HD LYS 855 -21.911 2.844 4.198 856 HE2 LYS 855 1HE LYS 855 -21.469 2.375 7.141 857 HE3 LYS 855 2HE LYS 855 -22.921 1.865 6.288 858 HZ1 LYS 855 3HZ LYS 855 -20.145 0.917 5.849 859 HZ2 LYS 855 1HZ LYS 855 -21.416 0.575 4.786 860 HZ3 LYS 855 2HZ LYS 855 -21.474 0.023 6.379 861 H ASN 856 H ASN 856 -17.704 4.070 1.674 862 HA ASN 856 HA ASN 856 -18.990 6.688 1.865 863 HB2 ASN 856 1HB ASN 856 -16.623 6.374 2.575 864 HB3 ASN 856 2HB ASN 856 -16.208 5.951 0.919 865 HD21 ASN 856 1HD2 ASN 856 -14.773 7.648 0.728 866 HD22 ASN 856 2HD2 ASN 856 -15.287 9.292 0.599 867 H THR 857 H THR 857 -19.808 7.764 0.183 868 HA THR 857 HA THR 857 -19.338 6.712 -2.516 869 HB THR 857 HB THR 857 -21.912 8.015 -1.621 870 HG1 THR 857 HG1 THR 857 -21.033 5.347 -1.443 871 HG21 THR 857 1HG2 THR 857 -22.811 6.957 -3.648 872 HG22 THR 857 2HG2 THR 857 -21.214 6.305 -4.013 873 HG23 THR 857 3HG2 THR 857 -21.479 8.048 -4.030 874 HA PRO 858 HA PRO 858 -17.875 11.081 -2.364 875 HB2 PRO 858 1HB PRO 858 -16.065 10.159 -4.478 876 HB3 PRO 858 2HB PRO 858 -15.682 10.895 -2.922 877 HG2 PRO 858 1HG PRO 858 -15.190 8.296 -3.443 878 HG3 PRO 858 2HG PRO 858 -15.633 8.872 -1.826 879 HD2 PRO 858 1HD PRO 858 -17.328 7.514 -3.887 880 HD3 PRO 858 2HD PRO 858 -17.284 7.275 -2.128 Start of MODEL 18 1 H1 GLY 586 1H GLY 586 32.188 1.082 -4.587 2 HA2 GLY 586 1HA GLY 586 34.270 2.883 -4.112 3 HA3 GLY 586 2HA GLY 586 32.594 3.321 -4.395 4 H VAL 587 H VAL 587 31.148 3.077 -2.486 5 HA VAL 587 HA VAL 587 32.318 4.698 -0.409 6 HB VAL 587 HB VAL 587 30.022 4.910 0.448 7 HG11 VAL 587 1HG1 VAL 587 30.234 5.286 -2.535 8 HG12 VAL 587 2HG1 VAL 587 30.772 6.424 -1.302 9 HG13 VAL 587 3HG1 VAL 587 29.054 6.068 -1.480 10 HG21 VAL 587 3HG2 VAL 587 29.266 3.043 -1.796 11 HG22 VAL 587 1HG2 VAL 587 28.146 3.893 -0.736 12 HG23 VAL 587 2HG2 VAL 587 29.221 2.660 -0.075 13 H ARG 588 H ARG 588 32.202 4.241 1.859 14 HA ARG 588 HA ARG 588 32.153 1.381 2.469 15 HB2 ARG 588 1HB ARG 588 33.223 1.994 4.624 16 HB3 ARG 588 2HB ARG 588 34.162 2.491 3.232 17 HG2 ARG 588 1HG ARG 588 34.328 4.211 4.837 18 HG3 ARG 588 2HG ARG 588 33.276 4.810 3.564 19 HD2 ARG 588 1HD ARG 588 31.363 4.617 4.899 20 HD3 ARG 588 2HD ARG 588 32.164 3.540 6.039 21 HE ARG 588 HE ARG 588 33.321 5.403 6.945 22 HH11 ARG 588 1HH1 ARG 588 30.997 6.339 4.493 23 HH12 ARG 588 2HH1 ARG 588 30.821 7.955 5.099 24 HH21 ARG 588 1HH2 ARG 588 33.091 7.525 7.733 25 HH22 ARG 588 2HH2 ARG 588 32.008 8.626 6.943 26 H LYS 589 H LYS 589 30.373 4.244 2.841 27 HA LYS 589 HA LYS 589 28.460 2.834 4.579 28 HB2 LYS 589 1HB LYS 589 28.962 4.827 5.691 29 HB3 LYS 589 2HB LYS 589 29.077 5.750 4.194 30 HG2 LYS 589 1HG LYS 589 26.580 5.446 3.975 31 HG3 LYS 589 2HG LYS 589 26.608 4.803 5.619 32 HD2 LYS 589 1HD LYS 589 27.563 7.540 4.775 33 HD3 LYS 589 2HD LYS 589 26.044 7.187 5.597 34 HE2 LYS 589 1HE LYS 589 27.274 6.336 7.523 35 HE3 LYS 589 2HE LYS 589 28.801 6.651 6.699 36 HZ1 LYS 589 3HZ LYS 589 26.801 8.697 7.491 37 HZ2 LYS 589 1HZ LYS 589 28.249 9.011 6.680 38 HZ3 LYS 589 2HZ LYS 589 28.276 8.408 8.260 39 H GLY 590 H GLY 590 27.179 1.737 3.243 40 HA2 GLY 590 1HA GLY 590 25.537 3.179 1.398 41 HA3 GLY 590 2HA GLY 590 26.615 2.014 0.648 42 H TRP 591 H TRP 591 24.301 2.285 3.302 43 HA TRP 591 HA TRP 591 23.708 -0.535 3.237 44 HB2 TRP 591 1HB TRP 591 21.669 1.012 4.560 45 HB3 TRP 591 2HB TRP 591 22.767 -0.171 5.245 46 HD1 TRP 591 HD1 TRP 591 24.560 0.728 6.870 47 HE1 TRP 591 HE1 TRP 591 25.190 3.069 7.745 48 HE3 TRP 591 HE3 TRP 591 21.893 3.608 3.578 49 HZ2 TRP 591 HZ2 TRP 591 24.697 5.763 7.076 50 HZ3 TRP 591 HZ3 TRP 591 22.036 6.047 3.764 51 HH2 TRP 591 HH2 TRP 591 23.408 7.104 5.481 52 H HIS 592 H HIS 592 21.775 2.379 2.692 53 HA HIS 592 HA HIS 592 19.603 0.831 1.626 54 HB2 HIS 592 1HB HIS 592 19.980 3.743 2.260 55 HB3 HIS 592 2HB HIS 592 18.561 3.180 1.386 56 HD1 HIS 592 HD1 HIS 592 19.528 3.998 4.680 57 HD2 HIS 592 HD2 HIS 592 17.302 0.924 2.990 58 HE1 HIS 592 HE1 HIS 592 18.187 3.026 6.564 59 HE2 HIS 592 HE2 HIS 592 17.086 0.993 5.566 60 H GLU 593 H GLU 593 22.335 1.906 0.189 61 HA GLU 593 HA GLU 593 21.605 3.437 -1.965 62 HB2 GLU 593 1HB GLU 593 23.607 2.520 -3.098 63 HB3 GLU 593 2HB GLU 593 23.899 3.041 -1.444 64 HG2 GLU 593 1HG GLU 593 23.895 0.776 -0.666 65 HG3 GLU 593 2HG GLU 593 23.427 0.193 -2.262 66 H HIS 594 H HIS 594 21.453 -0.123 -1.770 67 HA HIS 594 HA HIS 594 20.643 -0.533 -4.408 68 HB2 HIS 594 1HB HIS 594 19.848 -2.739 -3.741 69 HB3 HIS 594 2HB HIS 594 21.412 -2.396 -3.005 70 HD1 HIS 594 HD1 HIS 594 18.408 -3.979 -2.189 71 HD2 HIS 594 HD2 HIS 594 20.783 -1.209 -0.196 72 HE1 HIS 594 HE1 HIS 594 17.806 -4.195 0.243 73 HE2 HIS 594 HE2 HIS 594 19.382 -2.635 1.440 74 H VAL 595 H VAL 595 18.851 1.148 -2.113 75 HA VAL 595 HA VAL 595 16.505 0.888 -3.854 76 HB VAL 595 HB VAL 595 16.435 0.755 -0.834 77 HG11 VAL 595 1HG1 VAL 595 13.941 0.746 -1.102 78 HG12 VAL 595 2HG1 VAL 595 14.178 1.295 -2.766 79 HG13 VAL 595 3HG1 VAL 595 14.720 2.294 -1.416 80 HG21 VAL 595 3HG2 VAL 595 16.759 -1.385 -1.951 81 HG22 VAL 595 1HG2 VAL 595 15.329 -1.097 -2.941 82 HG23 VAL 595 2HG2 VAL 595 15.167 -1.303 -1.196 83 H THR 596 H THR 596 15.687 2.839 -4.417 84 HA THR 596 HA THR 596 16.878 5.188 -3.149 85 HB THR 596 HB THR 596 17.094 5.204 -5.537 86 HG1 THR 596 HG1 THR 596 16.354 7.224 -5.853 87 HG21 THR 596 1HG2 THR 596 15.121 5.218 -7.029 88 HG22 THR 596 2HG2 THR 596 14.103 4.851 -5.637 89 HG23 THR 596 3HG2 THR 596 15.318 3.697 -6.166 90 H GLN 597 H GLN 597 15.479 7.076 -2.696 91 HA GLN 597 HA GLN 597 13.336 6.366 -1.012 92 HB2 GLN 597 1HB GLN 597 14.688 8.403 -0.706 93 HB3 GLN 597 2HB GLN 597 14.022 9.068 -2.189 94 HG2 GLN 597 1HG GLN 597 12.955 10.027 -0.236 95 HG3 GLN 597 2HG GLN 597 11.805 9.102 -1.197 96 HE21 GLN 597 1HE2 GLN 597 14.177 7.646 0.929 97 HE22 GLN 597 2HE2 GLN 597 13.051 7.050 2.087 98 H ASP 598 H ASP 598 13.495 7.584 -4.293 99 HA ASP 598 HA ASP 598 10.791 8.138 -4.723 100 HB2 ASP 598 1HB ASP 598 12.523 8.817 -6.313 101 HB3 ASP 598 2HB ASP 598 12.830 7.138 -6.723 102 H LEU 599 H LEU 599 12.570 5.084 -5.076 103 HA LEU 599 HA LEU 599 10.584 3.501 -6.149 104 HB2 LEU 599 1HB LEU 599 13.009 2.900 -5.683 105 HB3 LEU 599 2HB LEU 599 12.530 2.582 -4.024 106 HG LEU 599 HG LEU 599 10.933 0.867 -4.863 107 HD11 LEU 599 1HD1 LEU 599 10.563 1.726 -7.074 108 HD12 LEU 599 2HD1 LEU 599 11.225 0.094 -7.189 109 HD13 LEU 599 3HD1 LEU 599 12.258 1.494 -7.489 110 HD21 LEU 599 3HD2 LEU 599 12.646 -0.801 -5.431 111 HD22 LEU 599 1HD2 LEU 599 13.133 0.203 -4.066 112 HD23 LEU 599 2HD2 LEU 599 13.820 0.495 -5.662 113 H ARG 600 H ARG 600 11.303 4.091 -2.728 114 HA ARG 600 HA ARG 600 9.270 2.511 -1.651 115 HB2 ARG 600 1HB ARG 600 10.498 5.031 -0.518 116 HB3 ARG 600 2HB ARG 600 9.511 3.894 0.391 117 HG2 ARG 600 1HG ARG 600 11.181 2.131 -0.090 118 HG3 ARG 600 2HG ARG 600 12.194 3.356 -0.859 119 HD2 ARG 600 1HD ARG 600 12.276 4.605 1.240 120 HD3 ARG 600 2HD ARG 600 11.256 3.388 2.006 121 HE ARG 600 HE ARG 600 14.007 2.935 1.050 122 HH11 ARG 600 1HH1 ARG 600 11.296 2.086 3.109 123 HH12 ARG 600 2HH1 ARG 600 12.214 0.944 4.045 124 HH21 ARG 600 1HH2 ARG 600 15.197 1.418 2.248 125 HH22 ARG 600 2HH2 ARG 600 14.436 0.559 3.549 126 H SER 601 H SER 601 9.238 6.017 -2.354 127 HA SER 601 HA SER 601 6.564 6.321 -1.548 128 HB2 SER 601 1HB SER 601 8.374 8.155 -3.146 129 HB3 SER 601 2HB SER 601 6.680 8.537 -2.832 130 HG SER 601 HG SER 601 8.197 7.693 -0.665 131 H HIS 602 H HIS 602 7.914 5.235 -4.625 132 HA HIS 602 HA HIS 602 5.666 5.965 -6.213 133 HB2 HIS 602 1HB HIS 602 8.098 5.258 -6.923 134 HB3 HIS 602 2HB HIS 602 7.418 3.633 -6.897 135 HD1 HIS 602 HD1 HIS 602 7.257 6.872 -8.756 136 HD2 HIS 602 HD2 HIS 602 5.626 3.053 -8.965 137 HE1 HIS 602 HE1 HIS 602 6.137 6.737 -11.001 138 HE2 HIS 602 HE2 HIS 602 5.319 4.363 -11.176 139 H LEU 603 H LEU 603 6.750 2.968 -4.707 140 HA LEU 603 HA LEU 603 4.615 1.346 -5.487 141 HB2 LEU 603 1HB LEU 603 6.274 1.072 -2.983 142 HB3 LEU 603 2HB LEU 603 5.378 -0.195 -3.796 143 HG LEU 603 HG LEU 603 7.684 1.277 -5.066 144 HD11 LEU 603 1HD1 LEU 603 8.456 0.047 -3.105 145 HD12 LEU 603 2HD1 LEU 603 9.032 -0.687 -4.603 146 HD13 LEU 603 3HD1 LEU 603 7.689 -1.417 -3.722 147 HD21 LEU 603 3HD2 LEU 603 6.226 -1.253 -5.818 148 HD22 LEU 603 1HD2 LEU 603 7.653 -0.612 -6.634 149 HD23 LEU 603 2HD2 LEU 603 6.141 0.296 -6.658 150 H VAL 604 H VAL 604 5.003 3.428 -2.656 151 HA VAL 604 HA VAL 604 2.775 2.564 -1.197 152 HB VAL 604 HB VAL 604 4.123 5.266 -1.320 153 HG11 VAL 604 1HG1 VAL 604 1.812 5.559 -0.579 154 HG12 VAL 604 2HG1 VAL 604 2.946 5.828 0.742 155 HG13 VAL 604 3HG1 VAL 604 2.044 4.315 0.648 156 HG21 VAL 604 3HG2 VAL 604 5.502 3.458 -0.450 157 HG22 VAL 604 1HG2 VAL 604 4.239 3.035 0.707 158 HG23 VAL 604 2HG2 VAL 604 5.069 4.586 0.835 159 H HIS 605 H HIS 605 3.073 4.987 -3.773 160 HA HIS 605 HA HIS 605 0.417 5.947 -3.602 161 HB2 HIS 605 1HB HIS 605 2.426 6.010 -5.842 162 HB3 HIS 605 2HB HIS 605 0.797 6.644 -6.049 163 HD1 HIS 605 HD1 HIS 605 4.007 7.314 -4.195 164 HD2 HIS 605 HD2 HIS 605 0.309 9.091 -4.868 165 HE1 HIS 605 HE1 HIS 605 4.211 9.661 -3.319 166 HE2 HIS 605 HE2 HIS 605 1.939 10.688 -3.654 167 H LYS 606 H LYS 606 1.879 3.267 -5.366 168 HA LYS 606 HA LYS 606 -0.340 2.651 -6.988 169 HB2 LYS 606 1HB LYS 606 1.819 0.832 -5.907 170 HB3 LYS 606 2HB LYS 606 0.689 0.404 -7.183 171 HG2 LYS 606 1HG LYS 606 2.749 2.598 -7.296 172 HG3 LYS 606 2HG LYS 606 2.833 1.035 -8.111 173 HD2 LYS 606 1HD LYS 606 0.830 1.601 -9.400 174 HD3 LYS 606 2HD LYS 606 0.744 3.161 -8.583 175 HE2 LYS 606 1HE LYS 606 2.926 3.763 -9.511 176 HE3 LYS 606 2HE LYS 606 3.005 2.205 -10.331 177 HZ1 LYS 606 3HZ LYS 606 1.068 2.801 -11.616 178 HZ2 LYS 606 1HZ LYS 606 2.262 3.988 -11.801 179 HZ3 LYS 606 2HZ LYS 606 0.931 4.276 -10.800 180 H LEU 607 H LEU 607 0.575 1.591 -3.742 181 HA LEU 607 HA LEU 607 -1.577 -0.198 -3.367 182 HB2 LEU 607 1HB LEU 607 0.526 -0.042 -1.986 183 HB3 LEU 607 2HB LEU 607 -0.151 1.386 -1.230 184 HG LEU 607 HG LEU 607 -1.725 -1.156 -1.161 185 HD11 LEU 607 1HD1 LEU 607 0.541 -1.802 -0.497 186 HD12 LEU 607 2HD1 LEU 607 -0.575 -1.840 0.868 187 HD13 LEU 607 3HD1 LEU 607 0.560 -0.500 0.692 188 HD21 LEU 607 3HD2 LEU 607 -2.717 0.914 -0.322 189 HD22 LEU 607 1HD2 LEU 607 -1.355 1.127 0.777 190 HD23 LEU 607 2HD2 LEU 607 -2.450 -0.239 0.987 191 H VAL 608 H VAL 608 -1.160 3.205 -2.343 192 HA VAL 608 HA VAL 608 -3.711 3.688 -1.387 193 HB VAL 608 HB VAL 608 -1.890 5.556 -2.918 194 HG11 VAL 608 1HG1 VAL 608 -3.162 7.388 -1.906 195 HG12 VAL 608 2HG1 VAL 608 -4.285 6.222 -1.207 196 HG13 VAL 608 3HG1 VAL 608 -4.178 6.402 -2.958 197 HG21 VAL 608 3HG2 VAL 608 -1.290 6.382 -0.680 198 HG22 VAL 608 1HG2 VAL 608 -0.889 4.677 -0.891 199 HG23 VAL 608 2HG2 VAL 608 -2.314 5.140 0.039 200 H GLN 609 H GLN 609 -2.526 3.853 -4.715 201 HA GLN 609 HA GLN 609 -4.791 4.833 -5.994 202 HB2 GLN 609 1HB GLN 609 -2.598 4.598 -7.067 203 HB3 GLN 609 2HB GLN 609 -2.748 2.850 -7.012 204 HG2 GLN 609 1HG GLN 609 -3.222 3.601 -9.227 205 HG3 GLN 609 2HG GLN 609 -4.711 3.006 -8.496 206 HE21 GLN 609 1HE2 GLN 609 -3.276 6.117 -7.770 207 HE22 GLN 609 2HE2 GLN 609 -4.519 7.068 -8.494 208 H ALA 610 H ALA 610 -3.950 1.512 -5.121 209 HA ALA 610 HA ALA 610 -6.081 0.201 -6.376 210 HB1 ALA 610 3HB ALA 610 -5.651 -1.630 -4.822 211 HB2 ALA 610 1HB ALA 610 -4.665 -0.561 -3.824 212 HB3 ALA 610 2HB ALA 610 -4.142 -0.973 -5.458 213 H ILE 611 H ILE 611 -5.846 1.788 -3.230 214 HA ILE 611 HA ILE 611 -8.476 0.929 -2.450 215 HB ILE 611 HB ILE 611 -6.485 2.852 -1.170 216 HG12 ILE 611 1HG1 ILE 611 -7.511 0.388 0.227 217 HG13 ILE 611 2HG1 ILE 611 -6.300 0.213 -1.056 218 HG21 ILE 611 1HG2 ILE 611 -7.937 3.056 0.763 219 HG22 ILE 611 2HG2 ILE 611 -9.192 2.126 -0.050 220 HG23 ILE 611 3HG2 ILE 611 -8.705 3.703 -0.687 221 HD11 ILE 611 3HD1 ILE 611 -5.253 0.324 1.112 222 HD12 ILE 611 1HD1 ILE 611 -6.059 1.854 1.454 223 HD13 ILE 611 2HD1 ILE 611 -4.840 1.766 0.183 224 H PHE 612 H PHE 612 -7.062 3.805 -3.915 225 HA PHE 612 HA PHE 612 -9.726 4.976 -4.105 226 HB2 PHE 612 1HB PHE 612 -8.312 5.731 -1.999 227 HB3 PHE 612 2HB PHE 612 -7.508 6.750 -3.177 228 HD1 PHE 612 HD2 PHE 612 -10.762 5.974 -1.638 229 HD2 PHE 612 HD1 PHE 612 -8.522 8.731 -3.976 230 HE1 PHE 612 HE2 PHE 612 -12.571 7.624 -1.412 231 HE2 PHE 612 HE1 PHE 612 -10.328 10.387 -3.756 232 HZ PHE 612 HZ PHE 612 -12.353 9.835 -2.473 233 HA PRO 613 HA PRO 613 -7.258 5.391 -7.929 234 HB2 PRO 613 1HB PRO 613 -9.336 5.119 -9.676 235 HB3 PRO 613 2HB PRO 613 -8.524 3.743 -8.924 236 HG2 PRO 613 1HG PRO 613 -11.155 4.977 -8.287 237 HG3 PRO 613 2HG PRO 613 -10.648 3.285 -8.168 238 HD2 PRO 613 1HD PRO 613 -10.888 5.053 -6.025 239 HD3 PRO 613 2HD PRO 613 -9.940 3.543 -6.026 240 H THR 614 H THR 614 -10.313 7.053 -7.224 241 HA THR 614 HA THR 614 -10.153 9.008 -9.229 242 HB THR 614 HB THR 614 -11.732 10.306 -7.722 243 HG1 THR 614 HG1 THR 614 -10.896 9.330 -5.754 244 HG21 THR 614 1HG2 THR 614 -13.550 8.618 -7.960 245 HG22 THR 614 2HG2 THR 614 -12.332 7.416 -8.394 246 HG23 THR 614 3HG2 THR 614 -12.591 8.823 -9.425 247 HA PRO 615 HA PRO 615 -6.917 11.500 -7.248 248 HB2 PRO 615 1HB PRO 615 -6.561 12.776 -9.817 249 HB3 PRO 615 2HB PRO 615 -5.481 11.636 -8.997 250 HG2 PRO 615 1HG PRO 615 -6.812 11.019 -11.311 251 HG3 PRO 615 2HG PRO 615 -6.328 9.802 -10.107 252 HD2 PRO 615 1HD PRO 615 -9.002 11.150 -10.487 253 HD3 PRO 615 2HD PRO 615 -8.654 9.423 -10.222 254 H ASP 616 H ASP 616 -8.954 12.449 -6.259 255 HA ASP 616 HA ASP 616 -9.945 14.865 -7.561 256 HB2 ASP 616 1HB ASP 616 -11.568 13.404 -6.383 257 HB3 ASP 616 2HB ASP 616 -10.674 13.623 -4.883 258 HA PRO 617 HA PRO 617 -6.774 17.402 -5.857 259 HB2 PRO 617 1HB PRO 617 -8.206 19.803 -5.937 260 HB3 PRO 617 2HB PRO 617 -7.302 19.100 -7.287 261 HG2 PRO 617 1HG PRO 617 -10.225 18.955 -6.672 262 HG3 PRO 617 2HG PRO 617 -9.411 19.173 -8.238 263 HD2 PRO 617 1HD PRO 617 -10.423 16.804 -7.548 264 HD3 PRO 617 2HD PRO 617 -8.876 16.909 -8.427 265 H ALA 618 H ALA 618 -10.056 17.557 -4.502 266 HA ALA 618 HA ALA 618 -9.110 18.888 -2.108 267 HB1 ALA 618 3HB ALA 618 -11.325 19.432 -2.980 268 HB2 ALA 618 1HB ALA 618 -11.436 18.740 -1.362 269 HB3 ALA 618 2HB ALA 618 -11.828 17.755 -2.772 270 H ALA 619 H ALA 619 -10.456 15.737 -3.007 271 HA ALA 619 HA ALA 619 -10.207 14.404 -0.601 272 HB1 ALA 619 3HB ALA 619 -11.273 13.509 -2.663 273 HB2 ALA 619 1HB ALA 619 -10.206 12.354 -1.865 274 HB3 ALA 619 2HB ALA 619 -9.662 13.200 -3.310 275 H LEU 620 H LEU 620 -7.718 15.251 -2.898 276 HA LEU 620 HA LEU 620 -5.645 13.606 -1.939 277 HB2 LEU 620 1HB LEU 620 -5.932 15.487 -3.928 278 HB3 LEU 620 2HB LEU 620 -4.830 16.281 -2.821 279 HG LEU 620 HG LEU 620 -3.603 15.124 -4.570 280 HD11 LEU 620 1HD1 LEU 620 -3.317 13.724 -1.919 281 HD12 LEU 620 2HD1 LEU 620 -2.554 15.245 -2.380 282 HD13 LEU 620 3HD1 LEU 620 -2.116 13.752 -3.209 283 HD21 LEU 620 3HD2 LEU 620 -4.927 12.607 -3.570 284 HD22 LEU 620 1HD2 LEU 620 -3.673 12.702 -4.804 285 HD23 LEU 620 2HD2 LEU 620 -5.259 13.411 -5.105 286 H LYS 621 H LYS 621 -7.012 16.578 -0.754 287 HA LYS 621 HA LYS 621 -4.906 16.843 1.283 288 HB2 LYS 621 1HB LYS 621 -7.103 18.796 0.525 289 HB3 LYS 621 2HB LYS 621 -5.762 19.103 1.622 290 HG2 LYS 621 1HG LYS 621 -4.180 18.937 -0.193 291 HG3 LYS 621 2HG LYS 621 -5.470 18.491 -1.312 292 HD2 LYS 621 1HD LYS 621 -6.541 20.682 -0.876 293 HD3 LYS 621 2HD LYS 621 -5.167 21.117 0.140 294 HE2 LYS 621 1HE LYS 621 -4.943 22.054 -2.103 295 HE3 LYS 621 2HE LYS 621 -3.667 20.888 -1.763 296 HZ1 LYS 621 3HZ LYS 621 -4.811 19.252 -3.066 297 HZ2 LYS 621 1HZ LYS 621 -4.641 20.649 -3.997 298 HZ3 LYS 621 2HZ LYS 621 -6.134 20.278 -3.301 299 H ASP 622 H ASP 622 -7.209 14.908 1.204 300 HA ASP 622 HA ASP 622 -8.943 15.857 3.362 301 HB2 ASP 622 1HB ASP 622 -10.233 15.051 1.580 302 HB3 ASP 622 2HB ASP 622 -9.149 13.696 1.296 303 H ARG 623 H ARG 623 -8.947 15.031 5.339 304 HA ARG 623 HA ARG 623 -6.785 13.564 6.327 305 HB2 ARG 623 1HB ARG 623 -9.479 14.158 7.545 306 HB3 ARG 623 2HB ARG 623 -8.178 13.374 8.424 307 HG2 ARG 623 1HG ARG 623 -8.173 16.169 7.289 308 HG3 ARG 623 2HG ARG 623 -8.210 15.701 8.989 309 HD2 ARG 623 1HD ARG 623 -5.958 15.264 7.035 310 HD3 ARG 623 2HD ARG 623 -5.981 16.389 8.391 311 HE ARG 623 HE ARG 623 -6.419 13.936 9.523 312 HH11 ARG 623 1HH1 ARG 623 -3.942 15.332 7.498 313 HH12 ARG 623 2HH1 ARG 623 -2.677 14.320 8.117 314 HH21 ARG 623 1HH2 ARG 623 -4.760 12.582 10.344 315 HH22 ARG 623 2HH2 ARG 623 -3.144 12.752 9.738 316 H ARG 624 H ARG 624 -10.078 12.490 5.510 317 HA ARG 624 HA ARG 624 -9.964 9.876 6.384 318 HB2 ARG 624 1HB ARG 624 -12.034 10.545 5.631 319 HB3 ARG 624 2HB ARG 624 -11.380 11.327 4.204 320 HG2 ARG 624 1HG ARG 624 -10.913 9.022 3.299 321 HG3 ARG 624 2HG ARG 624 -11.878 8.401 4.642 322 HD2 ARG 624 1HD ARG 624 -13.149 8.744 2.507 323 HD3 ARG 624 2HD ARG 624 -13.810 9.592 3.908 324 HE ARG 624 HE ARG 624 -11.961 11.190 2.389 325 HH11 ARG 624 1HH1 ARG 624 -15.314 10.156 2.615 326 HH12 ARG 624 2HH1 ARG 624 -15.925 11.548 1.783 327 HH21 ARG 624 1HH2 ARG 624 -12.766 13.008 1.308 328 HH22 ARG 624 2HH2 ARG 624 -14.470 13.174 1.032 329 H MET 625 H MET 625 -8.953 11.166 3.200 330 HA MET 625 HA MET 625 -7.884 8.726 2.293 331 HB2 MET 625 1HB MET 625 -8.281 10.360 0.626 332 HB3 MET 625 2HB MET 625 -7.310 11.565 1.457 333 HG2 MET 625 1HG MET 625 -5.293 10.128 1.059 334 HG3 MET 625 2HG MET 625 -6.316 9.083 0.073 335 HE1 MET 625 3HE MET 625 -7.211 11.335 -2.957 336 HE2 MET 625 1HE MET 625 -8.175 11.050 -1.508 337 HE3 MET 625 2HE MET 625 -7.291 9.718 -2.254 338 H GLU 626 H GLU 626 -6.461 11.324 4.225 339 HA GLU 626 HA GLU 626 -3.768 10.609 3.860 340 HB2 GLU 626 1HB GLU 626 -4.611 12.774 4.813 341 HB3 GLU 626 2HB GLU 626 -4.976 11.917 6.304 342 HG2 GLU 626 1HG GLU 626 -2.894 13.031 6.581 343 HG3 GLU 626 2HG GLU 626 -2.573 11.301 6.467 344 H ASN 627 H ASN 627 -6.177 9.595 6.232 345 HA ASN 627 HA ASN 627 -4.429 8.117 7.877 346 HB2 ASN 627 1HB ASN 627 -7.380 8.243 7.508 347 HB3 ASN 627 2HB ASN 627 -6.719 6.845 8.354 348 HD21 ASN 627 1HD2 ASN 627 -6.955 10.352 8.387 349 HD22 ASN 627 2HD2 ASN 627 -6.636 10.536 10.075 350 H LEU 628 H LEU 628 -6.334 7.166 5.028 351 HA LEU 628 HA LEU 628 -5.609 4.398 5.241 352 HB2 LEU 628 1HB LEU 628 -6.765 4.036 3.262 353 HB3 LEU 628 2HB LEU 628 -7.594 5.447 3.882 354 HG LEU 628 HG LEU 628 -5.985 6.764 2.282 355 HD11 LEU 628 1HD1 LEU 628 -4.577 4.876 1.651 356 HD12 LEU 628 2HD1 LEU 628 -5.435 5.523 0.254 357 HD13 LEU 628 3HD1 LEU 628 -5.986 4.030 1.011 358 HD21 LEU 628 3HD2 LEU 628 -8.480 6.472 2.163 359 HD22 LEU 628 1HD2 LEU 628 -8.193 5.098 1.104 360 HD23 LEU 628 2HD2 LEU 628 -7.672 6.710 0.614 361 H VAL 629 H VAL 629 -4.231 7.213 3.646 362 HA VAL 629 HA VAL 629 -2.242 5.847 2.159 363 HB VAL 629 HB VAL 629 -2.256 8.687 3.210 364 HG11 VAL 629 1HG1 VAL 629 -0.590 9.107 1.418 365 HG12 VAL 629 2HG1 VAL 629 -0.487 7.364 1.160 366 HG13 VAL 629 3HG1 VAL 629 0.003 8.059 2.706 367 HG21 VAL 629 3HG2 VAL 629 -2.991 7.581 0.505 368 HG22 VAL 629 1HG2 VAL 629 -2.939 9.288 0.942 369 HG23 VAL 629 2HG2 VAL 629 -4.113 8.218 1.707 370 H ALA 630 H ALA 630 -2.339 7.236 5.403 371 HA ALA 630 HA ALA 630 0.305 6.910 6.152 372 HB1 ALA 630 3HB ALA 630 -1.189 8.154 7.531 373 HB2 ALA 630 1HB ALA 630 -0.573 6.808 8.484 374 HB3 ALA 630 2HB ALA 630 -2.203 6.744 7.814 375 H TYR 631 H TYR 631 -2.315 4.523 6.139 376 HA TYR 631 HA TYR 631 -0.833 2.491 7.460 377 HB2 TYR 631 1HB TYR 631 -3.313 2.356 7.231 378 HB3 TYR 631 2HB TYR 631 -3.105 2.073 5.501 379 HD1 TYR 631 HD1 TYR 631 -1.792 0.747 8.739 380 HD2 TYR 631 HD2 TYR 631 -3.159 -0.136 4.808 381 HE1 TYR 631 HE1 TYR 631 -1.482 -1.649 9.181 382 HE2 TYR 631 HE2 TYR 631 -2.851 -2.538 5.243 383 HH TYR 631 HH TYR 631 -2.354 -3.809 8.332 384 H ALA 632 H ALA 632 -1.101 3.530 4.125 385 HA ALA 632 HA ALA 632 0.103 1.314 2.870 386 HB1 ALA 632 3HB ALA 632 -1.122 3.068 1.633 387 HB2 ALA 632 1HB ALA 632 0.495 2.793 0.980 388 HB3 ALA 632 2HB ALA 632 0.181 4.204 1.990 389 H LYS 633 H LYS 633 1.439 4.205 4.412 390 HA LYS 633 HA LYS 633 4.142 3.785 3.725 391 HB2 LYS 633 1HB LYS 633 2.628 5.488 5.556 392 HB3 LYS 633 2HB LYS 633 4.171 4.992 6.229 393 HG2 LYS 633 1HG LYS 633 4.343 7.131 5.071 394 HG3 LYS 633 2HG LYS 633 5.328 5.893 4.283 395 HD2 LYS 633 1HD LYS 633 4.253 7.026 2.528 396 HD3 LYS 633 2HD LYS 633 3.347 5.526 2.735 397 HE2 LYS 633 1HE LYS 633 1.756 7.259 2.468 398 HE3 LYS 633 2HE LYS 633 1.738 6.806 4.170 399 HZ1 LYS 633 3HZ LYS 633 3.182 8.728 4.617 400 HZ2 LYS 633 1HZ LYS 633 1.693 9.185 3.954 401 HZ3 LYS 633 2HZ LYS 633 3.082 9.173 2.990 402 H LYS 634 H LYS 634 2.188 2.695 6.472 403 HA LYS 634 HA LYS 634 4.203 1.401 7.908 404 HB2 LYS 634 1HB LYS 634 1.305 0.584 7.639 405 HB3 LYS 634 2HB LYS 634 2.416 -0.006 8.865 406 HG2 LYS 634 1HG LYS 634 2.692 2.403 9.583 407 HG3 LYS 634 2HG LYS 634 1.320 2.769 8.537 408 HD2 LYS 634 1HD LYS 634 0.249 2.441 10.537 409 HD3 LYS 634 2HD LYS 634 0.184 0.813 9.869 410 HE2 LYS 634 1HE LYS 634 2.236 1.825 11.834 411 HE3 LYS 634 2HE LYS 634 0.838 0.838 12.242 412 HZ1 LYS 634 3HZ LYS 634 3.123 0.032 10.528 413 HZ2 LYS 634 1HZ LYS 634 1.750 -0.915 10.806 414 HZ3 LYS 634 2HZ LYS 634 2.782 -0.527 12.084 415 H VAL 635 H VAL 635 2.253 0.320 5.189 416 HA VAL 635 HA VAL 635 3.038 -2.309 4.993 417 HB VAL 635 HB VAL 635 2.230 -0.299 2.930 418 HG11 VAL 635 1HG1 VAL 635 2.223 -2.113 1.238 419 HG12 VAL 635 2HG1 VAL 635 3.118 -3.125 2.369 420 HG13 VAL 635 3HG1 VAL 635 3.847 -1.649 1.744 421 HG21 VAL 635 3HG2 VAL 635 0.297 -1.727 2.737 422 HG22 VAL 635 1HG2 VAL 635 0.578 -1.361 4.439 423 HG23 VAL 635 2HG2 VAL 635 1.042 -2.935 3.785 424 H GLU 636 H GLU 636 4.699 0.499 3.504 425 HA GLU 636 HA GLU 636 6.794 -0.941 2.359 426 HB2 GLU 636 1HB GLU 636 7.926 1.061 1.998 427 HB3 GLU 636 2HB GLU 636 6.251 1.566 2.083 428 HG2 GLU 636 1HG GLU 636 7.184 3.192 3.348 429 HG3 GLU 636 2HG GLU 636 6.901 2.012 4.622 430 H GLY 637 H GLY 637 6.431 0.265 5.643 431 HA2 GLY 637 1HA GLY 637 8.981 -0.458 6.601 432 HA3 GLY 637 2HA GLY 637 7.540 -0.286 7.591 433 H ASP 638 H ASP 638 5.919 -2.284 6.675 434 HA ASP 638 HA ASP 638 6.972 -4.548 7.976 435 HB2 ASP 638 1HB ASP 638 4.585 -4.183 7.906 436 HB3 ASP 638 2HB ASP 638 4.578 -4.283 6.148 437 H MET 639 H MET 639 6.574 -3.823 4.536 438 HA MET 639 HA MET 639 7.417 -6.306 3.521 439 HB2 MET 639 1HB MET 639 7.895 -3.593 2.243 440 HB3 MET 639 2HB MET 639 7.918 -5.149 1.418 441 HG2 MET 639 1HG MET 639 5.503 -3.903 2.727 442 HG3 MET 639 2HG MET 639 5.852 -3.854 0.996 443 HE1 MET 639 3HE MET 639 2.972 -6.341 0.787 444 HE2 MET 639 1HE MET 639 3.713 -4.852 0.205 445 HE3 MET 639 2HE MET 639 3.031 -4.921 1.831 446 H TYR 640 H TYR 640 9.138 -3.535 4.614 447 HA TYR 640 HA TYR 640 11.570 -3.733 3.438 448 HB2 TYR 640 1HB TYR 640 10.881 -1.891 4.945 449 HB3 TYR 640 2HB TYR 640 11.187 -2.934 6.327 450 HD1 TYR 640 HD1 TYR 640 13.213 -2.446 3.225 451 HD2 TYR 640 HD2 TYR 640 12.986 -1.913 7.453 452 HE1 TYR 640 HE1 TYR 640 15.544 -1.685 3.257 453 HE2 TYR 640 HE2 TYR 640 15.318 -1.162 7.482 454 HH TYR 640 HH TYR 640 17.350 -1.398 6.099 455 H GLU 641 H GLU 641 10.578 -5.752 6.233 456 HA GLU 641 HA GLU 641 13.225 -6.693 6.755 457 HB2 GLU 641 1HB GLU 641 10.502 -7.781 7.422 458 HB3 GLU 641 2HB GLU 641 11.961 -8.702 7.810 459 HG2 GLU 641 1HG GLU 641 11.379 -7.489 9.800 460 HG3 GLU 641 2HG GLU 641 12.734 -6.597 9.097 461 H SER 642 H SER 642 10.509 -8.207 5.046 462 HA SER 642 HA SER 642 12.012 -10.354 3.989 463 HB2 SER 642 1HB SER 642 9.400 -9.158 3.057 464 HB3 SER 642 2HB SER 642 10.072 -10.676 2.462 465 HG SER 642 HG SER 642 9.335 -10.078 5.143 466 H ALA 643 H ALA 643 11.175 -7.192 2.705 467 HA ALA 643 HA ALA 643 12.057 -7.396 0.095 468 HB1 ALA 643 3HB ALA 643 10.721 -5.556 1.023 469 HB2 ALA 643 1HB ALA 643 12.088 -5.002 0.056 470 HB3 ALA 643 2HB ALA 643 12.172 -4.938 1.816 471 H ASN 644 H ASN 644 14.113 -8.375 2.180 472 HA ASN 644 HA ASN 644 16.404 -6.706 1.896 473 HB2 ASN 644 1HB ASN 644 16.001 -8.524 3.691 474 HB3 ASN 644 2HB ASN 644 16.399 -9.701 2.440 475 HD21 ASN 644 1HD2 ASN 644 17.943 -6.542 2.844 476 HD22 ASN 644 2HD2 ASN 644 19.506 -7.155 3.274 477 H SER 645 H SER 645 14.770 -8.410 -0.406 478 HA SER 645 HA SER 645 17.100 -8.258 -2.164 479 HB2 SER 645 1HB SER 645 16.283 -10.308 -3.365 480 HB3 SER 645 2HB SER 645 16.878 -10.627 -1.735 481 HG SER 645 HG SER 645 15.000 -11.441 -1.331 482 H ARG 646 H ARG 646 16.559 -7.731 -4.363 483 HA ARG 646 HA ARG 646 14.524 -5.837 -4.598 484 HB2 ARG 646 1HB ARG 646 15.990 -7.350 -6.760 485 HB3 ARG 646 2HB ARG 646 14.925 -5.989 -7.072 486 HG2 ARG 646 1HG ARG 646 17.407 -5.885 -5.376 487 HG3 ARG 646 2HG ARG 646 17.298 -5.366 -7.057 488 HD2 ARG 646 1HD ARG 646 15.748 -4.207 -4.738 489 HD3 ARG 646 2HD ARG 646 17.140 -3.469 -5.522 490 HE ARG 646 HE ARG 646 14.844 -4.052 -7.213 491 HH11 ARG 646 1HH1 ARG 646 16.674 -1.681 -5.405 492 HH12 ARG 646 2HH1 ARG 646 15.911 -0.329 -6.173 493 HH21 ARG 646 1HH2 ARG 646 13.829 -2.265 -8.220 494 HH22 ARG 646 2HH2 ARG 646 14.312 -0.655 -7.778 495 H ASP 647 H ASP 647 14.583 -9.178 -5.808 496 HA ASP 647 HA ASP 647 12.144 -9.078 -7.187 497 HB2 ASP 647 1HB ASP 647 13.770 -10.861 -7.567 498 HB3 ASP 647 2HB ASP 647 13.517 -11.466 -5.931 499 H GLU 648 H GLU 648 12.884 -10.031 -3.878 500 HA GLU 648 HA GLU 648 10.369 -11.025 -3.168 501 HB2 GLU 648 1HB GLU 648 12.599 -11.089 -1.861 502 HB3 GLU 648 2HB GLU 648 12.108 -9.522 -1.230 503 HG2 GLU 648 1HG GLU 648 11.469 -11.187 0.343 504 HG3 GLU 648 2HG GLU 648 10.000 -10.582 -0.426 505 H TYR 649 H TYR 649 11.669 -7.753 -3.087 506 HA TYR 649 HA TYR 649 9.677 -6.529 -1.588 507 HB2 TYR 649 1HB TYR 649 11.939 -5.587 -2.384 508 HB3 TYR 649 2HB TYR 649 11.090 -5.140 -3.857 509 HD1 TYR 649 HD2 TYR 649 8.933 -4.930 -1.022 510 HD2 TYR 649 HD1 TYR 649 12.006 -2.841 -3.101 511 HE1 TYR 649 HE2 TYR 649 8.226 -2.838 0.048 512 HE2 TYR 649 HE1 TYR 649 11.304 -0.742 -2.029 513 HH TYR 649 HH TYR 649 9.208 0.186 -0.992 514 H TYR 650 H TYR 650 9.866 -6.897 -5.162 515 HA TYR 650 HA TYR 650 7.484 -5.571 -5.742 516 HB2 TYR 650 1HB TYR 650 8.839 -7.812 -7.238 517 HB3 TYR 650 2HB TYR 650 7.678 -6.681 -7.882 518 HD1 TYR 650 HD1 TYR 650 8.439 -4.087 -7.445 519 HD2 TYR 650 HD2 TYR 650 11.005 -7.456 -7.824 520 HE1 TYR 650 HE1 TYR 650 10.276 -2.604 -8.142 521 HE2 TYR 650 HE2 TYR 650 12.846 -5.987 -8.509 522 HH TYR 650 HH TYR 650 13.119 -3.758 -9.558 523 H HIS 651 H HIS 651 8.239 -8.857 -4.833 524 HA HIS 651 HA HIS 651 5.878 -10.082 -5.844 525 HB2 HIS 651 1HB HIS 651 8.047 -11.253 -5.395 526 HB3 HIS 651 2HB HIS 651 7.750 -11.058 -3.674 527 HD1 HIS 651 HD1 HIS 651 7.170 -13.322 -6.445 528 HD2 HIS 651 HD2 HIS 651 5.366 -12.525 -2.785 529 HE1 HIS 651 HE1 HIS 651 5.744 -15.328 -5.939 530 HE2 HIS 651 HE2 HIS 651 4.543 -14.752 -3.804 531 H LEU 652 H LEU 652 6.937 -9.026 -2.650 532 HA LEU 652 HA LEU 652 4.751 -9.898 -1.150 533 HB2 LEU 652 1HB LEU 652 6.467 -7.461 -0.695 534 HB3 LEU 652 2HB LEU 652 5.478 -8.261 0.511 535 HG LEU 652 HG LEU 652 7.771 -9.623 -0.888 536 HD11 LEU 652 1HD1 LEU 652 9.112 -9.140 1.058 537 HD12 LEU 652 2HD1 LEU 652 7.775 -8.265 1.798 538 HD13 LEU 652 3HD1 LEU 652 8.544 -7.632 0.343 539 HD21 LEU 652 3HD2 LEU 652 6.095 -11.095 0.117 540 HD22 LEU 652 1HD2 LEU 652 6.268 -10.249 1.653 541 HD23 LEU 652 2HD2 LEU 652 7.621 -11.169 0.996 542 H LEU 653 H LEU 653 5.365 -6.702 -2.576 543 HA LEU 653 HA LEU 653 2.970 -5.507 -1.764 544 HB2 LEU 653 1HB LEU 653 4.831 -4.928 -4.056 545 HB3 LEU 653 2HB LEU 653 3.411 -3.948 -3.737 546 HG LEU 653 HG LEU 653 5.329 -4.393 -1.500 547 HD11 LEU 653 1HD1 LEU 653 5.791 -2.568 -3.847 548 HD12 LEU 653 2HD1 LEU 653 6.858 -3.830 -3.232 549 HD13 LEU 653 3HD1 LEU 653 6.581 -2.374 -2.282 550 HD21 LEU 653 3HD2 LEU 653 3.714 -2.007 -2.397 551 HD22 LEU 653 1HD2 LEU 653 4.628 -2.149 -0.897 552 HD23 LEU 653 2HD2 LEU 653 3.215 -3.171 -1.169 553 H ALA 654 H ALA 654 3.778 -7.172 -4.806 554 HA ALA 654 HA ALA 654 1.361 -6.786 -6.132 555 HB1 ALA 654 3HB ALA 654 3.141 -9.209 -6.290 556 HB2 ALA 654 1HB ALA 654 3.408 -7.695 -7.153 557 HB3 ALA 654 2HB ALA 654 1.983 -8.669 -7.503 558 H GLU 655 H GLU 655 2.324 -9.403 -3.946 559 HA GLU 655 HA GLU 655 -0.078 -10.872 -4.125 560 HB2 GLU 655 1HB GLU 655 1.665 -12.107 -3.184 561 HB3 GLU 655 2HB GLU 655 2.148 -10.790 -2.115 562 HG2 GLU 655 1HG GLU 655 0.171 -11.189 -0.743 563 HG3 GLU 655 2HG GLU 655 -0.326 -12.482 -1.834 564 H LYS 656 H LYS 656 0.975 -8.394 -1.818 565 HA LYS 656 HA LYS 656 -1.318 -8.574 -0.175 566 HB2 LYS 656 1HB LYS 656 0.933 -7.627 0.463 567 HB3 LYS 656 2HB LYS 656 0.502 -6.182 -0.440 568 HG2 LYS 656 1HG LYS 656 -1.189 -5.606 1.056 569 HG3 LYS 656 2HG LYS 656 -1.253 -7.223 1.755 570 HD2 LYS 656 1HD LYS 656 1.082 -5.326 2.019 571 HD3 LYS 656 2HD LYS 656 -0.176 -5.542 3.236 572 HE2 LYS 656 1HE LYS 656 0.427 -7.926 3.400 573 HE3 LYS 656 2HE LYS 656 1.716 -7.668 2.229 574 HZ1 LYS 656 3HZ LYS 656 2.754 -6.123 3.787 575 HZ2 LYS 656 1HZ LYS 656 2.569 -7.652 4.481 576 HZ3 LYS 656 2HZ LYS 656 1.519 -6.400 4.908 577 H ILE 657 H ILE 657 -0.504 -6.444 -2.902 578 HA ILE 657 HA ILE 657 -2.809 -4.815 -2.727 579 HB ILE 657 HB ILE 657 -1.128 -5.500 -5.159 580 HG12 ILE 657 1HG1 ILE 657 -1.133 -3.069 -3.344 581 HG13 ILE 657 2HG1 ILE 657 0.077 -4.347 -3.328 582 HG21 ILE 657 1HG2 ILE 657 -2.126 -3.525 -6.203 583 HG22 ILE 657 2HG2 ILE 657 -3.172 -3.301 -4.801 584 HG23 ILE 657 3HG2 ILE 657 -3.357 -4.730 -5.820 585 HD11 ILE 657 3HD1 ILE 657 -0.489 -2.488 -5.626 586 HD12 ILE 657 1HD1 ILE 657 0.732 -3.759 -5.599 587 HD13 ILE 657 2HD1 ILE 657 0.872 -2.380 -4.509 588 H TYR 658 H TYR 658 -2.190 -7.865 -4.448 589 HA TYR 658 HA TYR 658 -4.683 -7.990 -5.761 590 HB2 TYR 658 1HB TYR 658 -2.616 -9.516 -6.139 591 HB3 TYR 658 2HB TYR 658 -3.283 -10.489 -4.828 592 HD1 TYR 658 HD2 TYR 658 -4.692 -8.757 -7.834 593 HD2 TYR 658 HD1 TYR 658 -4.417 -12.392 -5.619 594 HE1 TYR 658 HE2 TYR 658 -6.201 -9.847 -9.431 595 HE2 TYR 658 HE1 TYR 658 -5.934 -13.473 -7.209 596 HH TYR 658 HH TYR 658 -7.740 -12.736 -8.831 597 H LYS 659 H LYS 659 -3.664 -8.953 -2.520 598 HA LYS 659 HA LYS 659 -5.945 -10.326 -1.706 599 HB2 LYS 659 1HB LYS 659 -4.083 -8.520 -0.158 600 HB3 LYS 659 2HB LYS 659 -5.368 -9.443 0.606 601 HG2 LYS 659 1HG LYS 659 -3.143 -10.661 -1.011 602 HG3 LYS 659 2HG LYS 659 -3.134 -10.502 0.747 603 HD2 LYS 659 1HD LYS 659 -5.229 -11.828 0.826 604 HD3 LYS 659 2HD LYS 659 -5.102 -12.067 -0.918 605 HE2 LYS 659 1HE LYS 659 -3.001 -13.223 -0.645 606 HE3 LYS 659 2HE LYS 659 -3.011 -12.892 1.088 607 HZ1 LYS 659 3HZ LYS 659 -3.745 -15.138 0.618 608 HZ2 LYS 659 1HZ LYS 659 -4.993 -14.559 -0.365 609 HZ3 LYS 659 2HZ LYS 659 -5.004 -14.238 1.295 610 H ILE 660 H ILE 660 -5.255 -6.855 -1.636 611 HA ILE 660 HA ILE 660 -7.673 -6.021 -0.503 612 HB ILE 660 HB ILE 660 -5.402 -4.731 -1.633 613 HG12 ILE 660 1HG1 ILE 660 -7.741 -3.614 -0.089 614 HG13 ILE 660 2HG1 ILE 660 -6.365 -4.447 0.621 615 HG21 ILE 660 1HG2 ILE 660 -6.499 -4.048 -3.602 616 HG22 ILE 660 2HG2 ILE 660 -6.639 -2.671 -2.514 617 HG23 ILE 660 3HG2 ILE 660 -8.015 -3.747 -2.751 618 HD11 ILE 660 3HD1 ILE 660 -4.884 -2.695 -0.219 619 HD12 ILE 660 1HD1 ILE 660 -6.139 -2.052 0.841 620 HD13 ILE 660 2HD1 ILE 660 -6.278 -1.861 -0.905 621 H GLN 661 H GLN 661 -6.892 -6.872 -3.836 622 HA GLN 661 HA GLN 661 -9.226 -5.673 -4.961 623 HB2 GLN 661 1HB GLN 661 -7.417 -7.833 -6.086 624 HB3 GLN 661 2HB GLN 661 -8.756 -7.113 -6.961 625 HG2 GLN 661 1HG GLN 661 -7.649 -4.874 -6.647 626 HG3 GLN 661 2HG GLN 661 -6.254 -5.737 -6.005 627 HE21 GLN 661 1HE2 GLN 661 -6.554 -4.060 -8.388 628 HE22 GLN 661 2HE2 GLN 661 -6.034 -5.041 -9.716 629 H LYS 662 H LYS 662 -8.435 -8.836 -3.695 630 HA LYS 662 HA LYS 662 -10.839 -10.141 -4.413 631 HB2 LYS 662 1HB LYS 662 -8.972 -11.492 -3.808 632 HB3 LYS 662 2HB LYS 662 -8.772 -10.652 -2.279 633 HG2 LYS 662 1HG LYS 662 -9.704 -12.829 -1.884 634 HG3 LYS 662 2HG LYS 662 -10.913 -11.601 -1.509 635 HD2 LYS 662 1HD LYS 662 -11.863 -11.975 -3.802 636 HD3 LYS 662 2HD LYS 662 -10.764 -13.347 -3.962 637 HE2 LYS 662 1HE LYS 662 -12.931 -14.133 -3.250 638 HE3 LYS 662 2HE LYS 662 -11.771 -14.347 -1.941 639 HZ1 LYS 662 3HZ LYS 662 -13.927 -13.443 -1.203 640 HZ2 LYS 662 1HZ LYS 662 -13.660 -12.069 -2.152 641 HZ3 LYS 662 2HZ LYS 662 -12.634 -12.413 -0.849 642 H GLU 663 H GLU 663 -9.776 -8.429 -1.509 643 HA GLU 663 HA GLU 663 -12.087 -8.959 0.021 644 HB2 GLU 663 1HB GLU 663 -10.012 -6.784 0.278 645 HB3 GLU 663 2HB GLU 663 -11.267 -7.095 1.470 646 HG2 GLU 663 1HG GLU 663 -9.053 -8.966 0.648 647 HG3 GLU 663 2HG GLU 663 -9.217 -8.118 2.183 648 H LEU 664 H LEU 664 -11.151 -6.141 -1.942 649 HA LEU 664 HA LEU 664 -13.392 -4.550 -1.406 650 HB2 LEU 664 1HB LEU 664 -11.845 -4.729 -3.996 651 HB3 LEU 664 2HB LEU 664 -12.931 -3.429 -3.545 652 HG LEU 664 HG LEU 664 -10.350 -4.113 -2.138 653 HD11 LEU 664 1HD1 LEU 664 -10.038 -3.191 -4.394 654 HD12 LEU 664 2HD1 LEU 664 -9.493 -2.085 -3.136 655 HD13 LEU 664 3HD1 LEU 664 -11.031 -1.803 -3.951 656 HD21 LEU 664 3HD2 LEU 664 -10.709 -1.980 -0.969 657 HD22 LEU 664 1HD2 LEU 664 -11.973 -3.158 -0.610 658 HD23 LEU 664 2HD2 LEU 664 -12.290 -1.840 -1.737 659 H GLU 665 H GLU 665 -12.864 -7.010 -3.896 660 HA GLU 665 HA GLU 665 -15.308 -6.750 -5.242 661 HB2 GLU 665 1HB GLU 665 -13.383 -8.021 -6.110 662 HB3 GLU 665 2HB GLU 665 -13.603 -9.219 -4.845 663 HG2 GLU 665 1HG GLU 665 -14.505 -10.070 -6.887 664 HG3 GLU 665 2HG GLU 665 -15.832 -9.737 -5.775 665 H GLU 666 H GLU 666 -14.350 -8.677 -2.461 666 HA GLU 666 HA GLU 666 -16.683 -10.217 -2.235 667 HB2 GLU 666 1HB GLU 666 -14.482 -10.663 -1.120 668 HB3 GLU 666 2HB GLU 666 -14.844 -9.362 0.005 669 HG2 GLU 666 1HG GLU 666 -15.342 -11.502 0.999 670 HG3 GLU 666 2HG GLU 666 -16.826 -10.576 0.765 671 H LYS 667 H LYS 667 -15.749 -7.206 -0.541 672 HA LYS 667 HA LYS 667 -18.191 -7.083 0.901 673 HB2 LYS 667 1HB LYS 667 -17.492 -4.707 1.398 674 HB3 LYS 667 2HB LYS 667 -16.418 -5.984 1.934 675 HG2 LYS 667 1HG LYS 667 -14.911 -5.548 0.114 676 HG3 LYS 667 2HG LYS 667 -16.023 -4.356 -0.560 677 HD2 LYS 667 1HD LYS 667 -14.208 -3.263 0.643 678 HD3 LYS 667 2HD LYS 667 -15.751 -2.967 1.436 679 HE2 LYS 667 1HE LYS 667 -13.848 -5.135 2.308 680 HE3 LYS 667 2HE LYS 667 -13.785 -3.495 2.944 681 HZ1 LYS 667 3HZ LYS 667 -15.729 -5.606 3.446 682 HZ2 LYS 667 1HZ LYS 667 -16.331 -4.024 3.363 683 HZ3 LYS 667 2HZ LYS 667 -15.131 -4.411 4.486 684 H ARG 668 H ARG 668 -17.175 -5.633 -2.178 685 HA ARG 668 HA ARG 668 -19.299 -3.793 -2.203 686 HB2 ARG 668 1HB ARG 668 -18.650 -3.199 -4.437 687 HB3 ARG 668 2HB ARG 668 -17.205 -3.417 -3.464 688 HG2 ARG 668 1HG ARG 668 -16.876 -5.628 -4.432 689 HG3 ARG 668 2HG ARG 668 -18.336 -5.422 -5.403 690 HD2 ARG 668 1HD ARG 668 -17.315 -3.450 -6.471 691 HD3 ARG 668 2HD ARG 668 -15.847 -3.724 -5.536 692 HE ARG 668 HE ARG 668 -16.468 -6.072 -6.954 693 HH11 ARG 668 1HH1 ARG 668 -15.365 -2.790 -7.527 694 HH12 ARG 668 2HH1 ARG 668 -14.518 -3.196 -8.985 695 HH21 ARG 668 1HH2 ARG 668 -15.345 -6.605 -8.872 696 HH22 ARG 668 2HH2 ARG 668 -14.524 -5.355 -9.763 697 H ARG 669 H ARG 669 -19.203 -6.997 -2.729 698 HA ARG 669 HA ARG 669 -21.198 -7.654 -4.463 699 HB2 ARG 669 1HB ARG 669 -20.060 -9.360 -3.225 700 HB3 ARG 669 2HB ARG 669 -20.651 -8.725 -1.698 701 HG2 ARG 669 1HG ARG 669 -22.943 -9.353 -2.362 702 HG3 ARG 669 2HG ARG 669 -22.287 -10.074 -3.834 703 HD2 ARG 669 1HD ARG 669 -21.044 -11.677 -2.579 704 HD3 ARG 669 2HD ARG 669 -21.419 -10.865 -1.062 705 HE ARG 669 HE ARG 669 -23.735 -11.778 -2.507 706 HH11 ARG 669 1HH1 ARG 669 -21.255 -12.651 -0.193 707 HH12 ARG 669 2HH1 ARG 669 -22.215 -13.881 0.566 708 HH21 ARG 669 1HH2 ARG 669 -24.992 -13.423 -1.519 709 HH22 ARG 669 2HH2 ARG 669 -24.332 -14.325 -0.194 710 H SER 670 H SER 670 -21.559 -6.176 -1.293 711 HA SER 670 HA SER 670 -24.431 -5.821 -1.889 712 HB2 SER 670 1HB SER 670 -24.758 -5.636 0.547 713 HB3 SER 670 2HB SER 670 -23.822 -7.109 0.234 714 HG SER 670 HG SER 670 -23.148 -4.994 1.726 715 H ARG 671 H ARG 671 -21.732 -4.154 -0.212 716 HA ARG 671 HA ARG 671 -21.031 -1.996 -0.233 717 HB2 ARG 671 1HB ARG 671 -20.710 -2.503 -2.653 718 HB3 ARG 671 2HB ARG 671 -22.322 -1.877 -2.963 719 HG2 ARG 671 1HG ARG 671 -21.582 0.309 -2.024 720 HG3 ARG 671 2HG ARG 671 -19.946 -0.347 -1.932 721 HD2 ARG 671 1HD ARG 671 -19.938 -0.701 -4.338 722 HD3 ARG 671 2HD ARG 671 -21.597 -0.111 -4.441 723 HE ARG 671 HE ARG 671 -19.651 1.715 -3.293 724 HH11 ARG 671 1HH1 ARG 671 -21.459 0.727 -6.122 725 HH12 ARG 671 2HH1 ARG 671 -21.221 2.233 -6.949 726 HH21 ARG 671 1HH2 ARG 671 -19.339 3.686 -4.379 727 HH22 ARG 671 2HH2 ARG 671 -20.002 3.910 -5.966 728 H LEU 672 H LEU 672 -22.888 -1.915 1.446 729 HA LEU 672 HA LEU 672 -24.986 -0.083 0.514 730 HB2 LEU 672 1HB LEU 672 -24.926 -1.923 2.918 731 HB3 LEU 672 2HB LEU 672 -26.253 -0.846 2.527 732 HG LEU 672 HG LEU 672 -25.322 -3.133 0.784 733 HD11 LEU 672 1HD1 LEU 672 -27.349 -4.273 1.517 734 HD12 LEU 672 2HD1 LEU 672 -27.703 -2.944 2.621 735 HD13 LEU 672 3HD1 LEU 672 -26.273 -3.943 2.875 736 HD21 LEU 672 3HD2 LEU 672 -26.362 -1.354 -0.495 737 HD22 LEU 672 1HD2 LEU 672 -27.736 -1.334 0.611 738 HD23 LEU 672 2HD2 LEU 672 -27.440 -2.747 -0.401 739 H1 ASP 840 1H ASP 840 3.318 -11.920 11.302 740 HA ASP 840 HA ASP 840 1.527 -11.091 9.194 741 HB2 ASP 840 1HB ASP 840 3.762 -13.151 9.186 742 HB3 ASP 840 2HB ASP 840 2.773 -12.772 7.774 743 H ALA 841 H ALA 841 -0.207 -11.968 10.820 744 HA ALA 841 HA ALA 841 -0.805 -14.780 10.329 745 HB1 ALA 841 3HB ALA 841 -2.334 -12.706 11.901 746 HB2 ALA 841 1HB ALA 841 -1.183 -13.860 12.572 747 HB3 ALA 841 2HB ALA 841 -2.684 -14.433 11.847 748 H GLY 842 H GLY 842 -0.753 -13.822 7.963 749 HA2 GLY 842 1HA GLY 842 -2.274 -13.895 6.145 750 HA3 GLY 842 2HA GLY 842 -3.525 -13.237 7.195 751 H ASN 843 H ASN 843 -1.221 -12.522 4.853 752 HA ASN 843 HA ASN 843 -0.701 -9.803 5.661 753 HB2 ASN 843 1HB ASN 843 0.180 -11.569 3.432 754 HB3 ASN 843 2HB ASN 843 0.178 -9.835 3.124 755 HD21 ASN 843 1HD2 ASN 843 0.743 -11.188 6.313 756 HD22 ASN 843 2HD2 ASN 843 2.410 -10.730 6.410 757 H ILE 844 H ILE 844 -3.305 -9.921 5.667 758 HA ILE 844 HA ILE 844 -4.198 -8.621 3.174 759 HB ILE 844 HB ILE 844 -6.026 -9.571 5.400 760 HG12 ILE 844 1HG1 ILE 844 -5.206 -11.054 2.884 761 HG13 ILE 844 2HG1 ILE 844 -4.768 -11.505 4.527 762 HG21 ILE 844 1HG2 ILE 844 -7.714 -9.505 3.597 763 HG22 ILE 844 2HG2 ILE 844 -6.489 -8.852 2.511 764 HG23 ILE 844 3HG2 ILE 844 -6.993 -7.927 3.924 765 HD11 ILE 844 3HD1 ILE 844 -6.563 -12.895 3.725 766 HD12 ILE 844 1HD1 ILE 844 -7.543 -11.474 3.366 767 HD13 ILE 844 2HD1 ILE 844 -7.141 -11.870 5.036 768 H LEU 845 H LEU 845 -5.204 -6.577 3.305 769 HA LEU 845 HA LEU 845 -4.298 -4.974 5.516 770 HB2 LEU 845 1HB LEU 845 -5.892 -4.253 3.051 771 HB3 LEU 845 2HB LEU 845 -5.344 -3.094 4.245 772 HG LEU 845 HG LEU 845 -2.974 -4.104 3.671 773 HD11 LEU 845 1HD1 LEU 845 -4.573 -4.691 1.186 774 HD12 LEU 845 2HD1 LEU 845 -3.692 -5.848 2.185 775 HD13 LEU 845 3HD1 LEU 845 -2.816 -4.630 1.260 776 HD21 LEU 845 3HD2 LEU 845 -3.621 -1.776 3.393 777 HD22 LEU 845 1HD2 LEU 845 -4.429 -2.171 1.878 778 HD23 LEU 845 2HD2 LEU 845 -2.680 -2.338 2.012 779 HA PRO 846 HA PRO 846 -7.654 -5.254 8.301 780 HB2 PRO 846 1HB PRO 846 -7.493 -2.267 8.264 781 HB3 PRO 846 2HB PRO 846 -7.566 -3.371 9.642 782 HG2 PRO 846 1HG PRO 846 -5.260 -2.270 8.907 783 HG3 PRO 846 2HG PRO 846 -5.331 -3.950 9.464 784 HD2 PRO 846 1HD PRO 846 -4.959 -2.883 6.721 785 HD3 PRO 846 2HD PRO 846 -4.371 -4.395 7.437 786 H SER 847 H SER 847 -9.706 -5.529 8.001 787 HA SER 847 HA SER 847 -11.108 -4.910 5.702 788 HB2 SER 847 1HB SER 847 -13.136 -5.547 7.042 789 HB3 SER 847 2HB SER 847 -11.817 -6.715 7.119 790 HG SER 847 HG SER 847 -11.710 -6.404 9.185 791 H ASP 848 H ASP 848 -10.876 -3.175 8.737 792 HA ASP 848 HA ASP 848 -12.997 -1.407 8.516 793 HB2 ASP 848 1HB ASP 848 -11.549 -1.655 10.523 794 HB3 ASP 848 2HB ASP 848 -10.279 -0.768 9.684 795 H ILE 849 H ILE 849 -9.673 -0.977 7.285 796 HA ILE 849 HA ILE 849 -10.145 1.621 6.250 797 HB ILE 849 HB ILE 849 -8.050 -0.310 5.221 798 HG12 ILE 849 1HG1 ILE 849 -7.902 -0.164 7.673 799 HG13 ILE 849 2HG1 ILE 849 -6.542 0.650 6.913 800 HG21 ILE 849 1HG2 ILE 849 -8.168 2.711 5.293 801 HG22 ILE 849 2HG2 ILE 849 -8.365 1.696 3.863 802 HG23 ILE 849 3HG2 ILE 849 -6.811 1.750 4.701 803 HD11 ILE 849 3HD1 ILE 849 -8.975 1.991 8.082 804 HD12 ILE 849 1HD1 ILE 849 -7.612 2.815 7.318 805 HD13 ILE 849 2HD1 ILE 849 -7.373 1.911 8.813 806 H MET 850 H MET 850 -10.316 -1.607 4.826 807 HA MET 850 HA MET 850 -10.939 -0.807 2.191 808 HB2 MET 850 1HB MET 850 -11.450 -3.340 3.731 809 HB3 MET 850 2HB MET 850 -12.050 -3.135 2.096 810 HG2 MET 850 1HG MET 850 -9.964 -4.387 2.202 811 HG3 MET 850 2HG MET 850 -9.830 -2.926 1.235 812 HE1 MET 850 3HE MET 850 -7.191 -0.849 2.909 813 HE2 MET 850 1HE MET 850 -8.906 -0.536 2.648 814 HE3 MET 850 2HE MET 850 -7.963 -1.359 1.407 815 H ASP 851 H ASP 851 -13.001 -1.628 4.956 816 HA ASP 851 HA ASP 851 -15.481 -1.124 3.706 817 HB2 ASP 851 1HB ASP 851 -14.530 -1.212 6.554 818 HB3 ASP 851 2HB ASP 851 -16.070 -0.418 6.227 819 H PHE 852 H PHE 852 -13.192 1.015 5.314 820 HA PHE 852 HA PHE 852 -14.770 3.282 5.561 821 HB2 PHE 852 1HB PHE 852 -12.397 2.770 6.455 822 HB3 PHE 852 2HB PHE 852 -11.833 3.427 4.926 823 HD1 PHE 852 HD1 PHE 852 -14.578 4.506 7.205 824 HD2 PHE 852 HD2 PHE 852 -10.861 5.473 5.371 825 HE1 PHE 852 HE1 PHE 852 -14.690 6.761 8.175 826 HE2 PHE 852 HE2 PHE 852 -10.970 7.730 6.337 827 HZ PHE 852 HZ PHE 852 -12.884 8.377 7.740 828 H VAL 853 H VAL 853 -12.620 2.384 2.833 829 HA VAL 853 HA VAL 853 -13.265 4.682 1.311 830 HB VAL 853 HB VAL 853 -11.256 3.555 0.719 831 HG11 VAL 853 1HG1 VAL 853 -11.772 1.300 1.408 832 HG12 VAL 853 2HG1 VAL 853 -11.227 1.301 -0.270 833 HG13 VAL 853 3HG1 VAL 853 -12.944 1.139 0.100 834 HG21 VAL 853 3HG2 VAL 853 -12.402 4.655 -1.117 835 HG22 VAL 853 1HG2 VAL 853 -13.308 3.183 -1.461 836 HG23 VAL 853 2HG2 VAL 853 -11.562 3.217 -1.701 837 H LEU 854 H LEU 854 -14.642 1.407 1.321 838 HA LEU 854 HA LEU 854 -16.425 1.829 -0.828 839 HB2 LEU 854 1HB LEU 854 -16.234 -0.165 1.378 840 HB3 LEU 854 2HB LEU 854 -17.747 -0.053 0.505 841 HG LEU 854 HG LEU 854 -16.147 -1.841 -0.278 842 HD11 LEU 854 1HD1 LEU 854 -17.990 -1.054 -1.686 843 HD12 LEU 854 2HD1 LEU 854 -16.577 -1.504 -2.634 844 HD13 LEU 854 3HD1 LEU 854 -16.942 0.195 -2.357 845 HD21 LEU 854 3HD2 LEU 854 -14.325 -1.151 -1.762 846 HD22 LEU 854 1HD2 LEU 854 -14.069 -0.620 -0.101 847 HD23 LEU 854 2HD2 LEU 854 -14.614 0.531 -1.321 848 H LYS 855 H LYS 855 -16.712 2.371 2.645 849 HA LYS 855 HA LYS 855 -19.477 2.966 2.683 850 HB2 LYS 855 1HB LYS 855 -18.176 2.497 4.740 851 HB3 LYS 855 2HB LYS 855 -17.281 3.989 4.521 852 HG2 LYS 855 1HG LYS 855 -18.786 4.670 6.112 853 HG3 LYS 855 2HG LYS 855 -19.704 5.072 4.662 854 HD2 LYS 855 1HD LYS 855 -19.979 2.546 6.295 855 HD3 LYS 855 2HD LYS 855 -21.068 3.928 6.346 856 HE2 LYS 855 1HE LYS 855 -21.599 3.544 3.960 857 HE3 LYS 855 2HE LYS 855 -20.570 2.112 3.991 858 HZ1 LYS 855 3HZ LYS 855 -22.998 2.537 5.643 859 HZ2 LYS 855 1HZ LYS 855 -22.003 1.172 5.697 860 HZ3 LYS 855 2HZ LYS 855 -22.886 1.518 4.294 861 H ASN 856 H ASN 856 -16.767 4.741 1.567 862 HA ASN 856 HA ASN 856 -18.286 7.262 1.599 863 HB2 ASN 856 1HB ASN 856 -15.332 6.686 1.523 864 HB3 ASN 856 2HB ASN 856 -15.972 8.257 1.051 865 HD21 ASN 856 1HD2 ASN 856 -15.536 6.007 3.678 866 HD22 ASN 856 2HD2 ASN 856 -15.859 7.135 4.957 867 H THR 857 H THR 857 -18.071 8.658 -0.280 868 HA THR 857 HA THR 857 -17.192 7.410 -2.749 869 HB THR 857 HB THR 857 -20.003 8.484 -2.409 870 HG1 THR 857 HG1 THR 857 -18.959 6.024 -2.080 871 HG21 THR 857 1HG2 THR 857 -19.091 9.038 -4.605 872 HG22 THR 857 2HG2 THR 857 -20.327 7.788 -4.744 873 HG23 THR 857 3HG2 THR 857 -18.621 7.356 -4.846 874 HA PRO 858 HA PRO 858 -15.672 11.620 -2.899 875 HB2 PRO 858 1HB PRO 858 -14.392 11.367 -5.303 876 HB3 PRO 858 2HB PRO 858 -13.716 10.822 -3.765 877 HG2 PRO 858 1HG PRO 858 -15.080 9.245 -5.901 878 HG3 PRO 858 2HG PRO 858 -13.669 8.817 -4.920 879 HD2 PRO 858 1HD PRO 858 -16.151 7.855 -4.422 880 HD3 PRO 858 2HD PRO 858 -14.958 8.138 -3.139 Start of MODEL 19 1 H1 GLY 586 1H GLY 586 37.781 -0.785 2.608 2 HA2 GLY 586 1HA GLY 586 35.586 -0.481 3.338 3 HA3 GLY 586 2HA GLY 586 35.088 -0.245 1.666 4 H VAL 587 H VAL 587 33.732 -1.892 3.554 5 HA VAL 587 HA VAL 587 34.396 -4.593 2.647 6 HB VAL 587 HB VAL 587 32.888 -5.402 4.398 7 HG11 VAL 587 1HG1 VAL 587 34.234 -4.739 6.322 8 HG12 VAL 587 2HG1 VAL 587 34.891 -3.387 5.402 9 HG13 VAL 587 3HG1 VAL 587 35.246 -5.043 4.911 10 HG21 VAL 587 3HG2 VAL 587 31.283 -3.599 4.446 11 HG22 VAL 587 1HG2 VAL 587 32.508 -2.486 5.052 12 HG23 VAL 587 2HG2 VAL 587 31.966 -3.832 6.053 13 H ARG 588 H ARG 588 32.575 -6.025 2.075 14 HA ARG 588 HA ARG 588 31.289 -4.746 -0.133 15 HB2 ARG 588 1HB ARG 588 30.719 -6.978 -0.881 16 HB3 ARG 588 2HB ARG 588 32.386 -6.957 -0.330 17 HG2 ARG 588 1HG ARG 588 31.690 -8.919 0.604 18 HG3 ARG 588 2HG ARG 588 31.295 -7.806 1.921 19 HD2 ARG 588 1HD ARG 588 29.453 -9.330 1.529 20 HD3 ARG 588 2HD ARG 588 28.981 -7.688 1.096 21 HE ARG 588 HE ARG 588 29.915 -9.513 -1.004 22 HH11 ARG 588 1HH1 ARG 588 27.319 -7.670 0.453 23 HH12 ARG 588 2HH1 ARG 588 26.271 -7.826 -0.916 24 HH21 ARG 588 1HH2 ARG 588 28.543 -9.731 -2.802 25 HH22 ARG 588 2HH2 ARG 588 26.972 -8.992 -2.787 26 H LYS 589 H LYS 589 30.212 -4.854 2.972 27 HA LYS 589 HA LYS 589 27.612 -5.709 2.898 28 HB2 LYS 589 1HB LYS 589 27.356 -4.591 4.886 29 HB3 LYS 589 2HB LYS 589 29.099 -4.410 4.755 30 HG2 LYS 589 1HG LYS 589 27.195 -2.322 3.734 31 HG3 LYS 589 2HG LYS 589 27.761 -2.361 5.403 32 HD2 LYS 589 1HD LYS 589 30.066 -2.179 4.637 33 HD3 LYS 589 2HD LYS 589 29.523 -2.191 2.959 34 HE2 LYS 589 1HE LYS 589 28.299 -0.115 3.339 35 HE3 LYS 589 2HE LYS 589 28.811 -0.112 5.026 36 HZ1 LYS 589 3HZ LYS 589 30.190 1.352 3.731 37 HZ2 LYS 589 1HZ LYS 589 30.586 0.112 2.654 38 HZ3 LYS 589 2HZ LYS 589 31.117 0.044 4.261 39 H GLY 590 H GLY 590 25.730 -5.069 1.980 40 HA2 GLY 590 1HA GLY 590 25.225 -2.504 0.950 41 HA3 GLY 590 2HA GLY 590 25.758 -3.570 -0.343 42 H TRP 591 H TRP 591 23.446 -3.261 2.266 43 HA TRP 591 HA TRP 591 21.732 -5.347 1.253 44 HB2 TRP 591 1HB TRP 591 20.531 -3.433 3.129 45 HB3 TRP 591 2HB TRP 591 20.643 -5.182 3.230 46 HD1 TRP 591 HD1 TRP 591 22.227 -6.100 5.002 47 HE1 TRP 591 HE1 TRP 591 24.001 -5.102 6.556 48 HE3 TRP 591 HE3 TRP 591 22.482 -1.396 3.036 49 HZ2 TRP 591 HZ2 TRP 591 25.391 -2.659 6.876 50 HZ3 TRP 591 HZ3 TRP 591 24.061 0.210 4.019 51 HH2 TRP 591 HH2 TRP 591 25.485 -0.412 5.901 52 H HIS 592 H HIS 592 21.195 -1.874 1.845 53 HA HIS 592 HA HIS 592 18.850 -2.009 0.137 54 HB2 HIS 592 1HB HIS 592 19.864 0.157 1.977 55 HB3 HIS 592 2HB HIS 592 18.362 0.249 1.066 56 HD1 HIS 592 HD1 HIS 592 19.365 -0.340 4.341 57 HD2 HIS 592 HD2 HIS 592 16.809 -2.359 1.758 58 HE1 HIS 592 HE1 HIS 592 17.872 -1.728 5.814 59 HE2 HIS 592 HE2 HIS 592 16.244 -2.828 4.242 60 H GLU 593 H GLU 593 21.994 -1.408 -0.571 61 HA GLU 593 HA GLU 593 21.958 1.098 -1.792 62 HB2 GLU 593 1HB GLU 593 23.979 0.344 -2.982 63 HB3 GLU 593 2HB GLU 593 24.025 -0.021 -1.263 64 HG2 GLU 593 1HG GLU 593 23.608 -2.317 -1.645 65 HG3 GLU 593 2HG GLU 593 23.230 -2.032 -3.344 66 H HIS 594 H HIS 594 21.238 -2.114 -3.169 67 HA HIS 594 HA HIS 594 20.767 -1.105 -5.772 68 HB2 HIS 594 1HB HIS 594 19.836 -3.295 -6.305 69 HB3 HIS 594 2HB HIS 594 21.334 -3.461 -5.394 70 HD1 HIS 594 HD1 HIS 594 19.627 -5.880 -5.422 71 HD2 HIS 594 HD2 HIS 594 19.081 -2.866 -2.609 72 HE1 HIS 594 HE1 HIS 594 18.445 -6.962 -3.486 73 HE2 HIS 594 HE2 HIS 594 18.358 -5.178 -1.714 74 H VAL 595 H VAL 595 18.983 -0.224 -3.214 75 HA VAL 595 HA VAL 595 16.591 -0.011 -4.923 76 HB VAL 595 HB VAL 595 16.730 -0.536 -1.961 77 HG11 VAL 595 1HG1 VAL 595 14.232 -0.306 -1.978 78 HG12 VAL 595 2HG1 VAL 595 14.366 0.432 -3.581 79 HG13 VAL 595 3HG1 VAL 595 15.108 1.211 -2.182 80 HG21 VAL 595 3HG2 VAL 595 16.774 -2.504 -3.379 81 HG22 VAL 595 1HG2 VAL 595 15.320 -1.957 -4.214 82 HG23 VAL 595 2HG2 VAL 595 15.241 -2.409 -2.511 83 H THR 596 H THR 596 15.952 2.019 -5.309 84 HA THR 596 HA THR 596 17.104 4.186 -3.753 85 HB THR 596 HB THR 596 17.285 4.466 -6.110 86 HG1 THR 596 HG1 THR 596 16.784 6.499 -5.928 87 HG21 THR 596 1HG2 THR 596 14.297 4.091 -6.247 88 HG22 THR 596 2HG2 THR 596 15.520 2.978 -6.848 89 HG23 THR 596 3HG2 THR 596 15.327 4.560 -7.598 90 H GLN 597 H GLN 597 15.732 6.040 -3.145 91 HA GLN 597 HA GLN 597 13.592 5.244 -1.480 92 HB2 GLN 597 1HB GLN 597 15.016 7.162 -0.966 93 HB3 GLN 597 2HB GLN 597 14.451 7.994 -2.403 94 HG2 GLN 597 1HG GLN 597 13.393 8.886 -0.424 95 HG3 GLN 597 2HG GLN 597 12.204 8.106 -1.462 96 HE21 GLN 597 1HE2 GLN 597 10.787 7.896 0.267 97 HE22 GLN 597 2HE2 GLN 597 11.009 6.709 1.495 98 H ASP 598 H ASP 598 13.746 6.806 -4.627 99 HA ASP 598 HA ASP 598 11.042 7.397 -5.015 100 HB2 ASP 598 1HB ASP 598 12.691 8.211 -6.586 101 HB3 ASP 598 2HB ASP 598 13.107 6.573 -7.065 102 H LEU 599 H LEU 599 12.796 4.380 -5.532 103 HA LEU 599 HA LEU 599 10.846 2.865 -6.760 104 HB2 LEU 599 1HB LEU 599 13.277 2.265 -6.152 105 HB3 LEU 599 2HB LEU 599 12.646 1.770 -4.593 106 HG LEU 599 HG LEU 599 11.101 0.206 -5.861 107 HD11 LEU 599 1HD1 LEU 599 12.963 0.959 -8.099 108 HD12 LEU 599 2HD1 LEU 599 11.233 1.277 -8.019 109 HD13 LEU 599 3HD1 LEU 599 11.818 -0.381 -8.133 110 HD21 LEU 599 3HD2 LEU 599 12.899 -1.452 -6.261 111 HD22 LEU 599 1HD2 LEU 599 13.034 -0.642 -4.702 112 HD23 LEU 599 2HD2 LEU 599 14.085 -0.167 -6.034 113 H ARG 600 H ARG 600 11.389 3.458 -3.324 114 HA ARG 600 HA ARG 600 9.303 1.853 -2.322 115 HB2 ARG 600 1HB ARG 600 10.542 4.336 -1.113 116 HB3 ARG 600 2HB ARG 600 9.574 3.150 -0.248 117 HG2 ARG 600 1HG ARG 600 11.245 1.472 -0.534 118 HG3 ARG 600 2HG ARG 600 12.173 2.510 -1.618 119 HD2 ARG 600 1HD ARG 600 13.187 2.508 0.576 120 HD3 ARG 600 2HD ARG 600 12.513 4.099 0.231 121 HE ARG 600 HE ARG 600 10.517 2.825 1.593 122 HH11 ARG 600 1HH1 ARG 600 13.896 3.538 2.233 123 HH12 ARG 600 2HH1 ARG 600 13.697 3.550 3.956 124 HH21 ARG 600 1HH2 ARG 600 10.257 2.843 3.866 125 HH22 ARG 600 2HH2 ARG 600 11.641 3.144 4.883 126 H SER 601 H SER 601 9.427 5.331 -3.082 127 HA SER 601 HA SER 601 6.888 5.912 -1.989 128 HB2 SER 601 1HB SER 601 7.117 8.068 -3.246 129 HB3 SER 601 2HB SER 601 8.499 7.678 -2.224 130 HG SER 601 HG SER 601 9.409 8.231 -4.113 131 H HIS 602 H HIS 602 7.954 5.170 -5.277 132 HA HIS 602 HA HIS 602 5.556 5.670 -6.621 133 HB2 HIS 602 1HB HIS 602 7.789 5.088 -7.680 134 HB3 HIS 602 2HB HIS 602 7.429 3.402 -7.317 135 HD1 HIS 602 HD1 HIS 602 6.271 2.170 -9.116 136 HD2 HIS 602 HD2 HIS 602 5.641 6.268 -9.391 137 HE1 HIS 602 HE1 HIS 602 4.930 2.507 -11.212 138 HE2 HIS 602 HE2 HIS 602 4.398 4.966 -11.246 139 H LEU 603 H LEU 603 6.675 2.773 -4.961 140 HA LEU 603 HA LEU 603 4.477 1.120 -5.570 141 HB2 LEU 603 1HB LEU 603 6.296 1.003 -3.160 142 HB3 LEU 603 2HB LEU 603 5.252 -0.283 -3.728 143 HG LEU 603 HG LEU 603 7.469 0.848 -5.424 144 HD11 LEU 603 1HD1 LEU 603 8.808 -1.082 -4.758 145 HD12 LEU 603 2HD1 LEU 603 7.570 -1.540 -3.590 146 HD13 LEU 603 3HD1 LEU 603 8.459 -0.033 -3.385 147 HD21 LEU 603 3HD2 LEU 603 5.912 -1.732 -5.534 148 HD22 LEU 603 1HD2 LEU 603 7.225 -1.273 -6.620 149 HD23 LEU 603 2HD2 LEU 603 5.722 -0.353 -6.617 150 H VAL 604 H VAL 604 5.031 3.490 -3.057 151 HA VAL 604 HA VAL 604 2.920 2.706 -1.330 152 HB VAL 604 HB VAL 604 4.335 5.363 -1.629 153 HG11 VAL 604 1HG1 VAL 604 2.383 4.455 0.482 154 HG12 VAL 604 2HG1 VAL 604 2.144 5.759 -0.682 155 HG13 VAL 604 3HG1 VAL 604 3.372 5.910 0.575 156 HG21 VAL 604 3HG2 VAL 604 5.725 3.487 -0.850 157 HG22 VAL 604 1HG2 VAL 604 4.581 3.207 0.464 158 HG23 VAL 604 2HG2 VAL 604 5.498 4.711 0.400 159 H HIS 605 H HIS 605 3.157 5.081 -3.958 160 HA HIS 605 HA HIS 605 0.524 6.093 -3.685 161 HB2 HIS 605 1HB HIS 605 2.359 6.043 -6.082 162 HB3 HIS 605 2HB HIS 605 0.781 6.822 -6.097 163 HD1 HIS 605 HD1 HIS 605 1.238 9.236 -6.089 164 HD2 HIS 605 HD2 HIS 605 3.647 7.211 -3.381 165 HE1 HIS 605 HE1 HIS 605 2.545 11.013 -4.889 166 HE2 HIS 605 HE2 HIS 605 3.839 9.776 -3.125 167 H LYS 606 H LYS 606 1.888 3.428 -5.551 168 HA LYS 606 HA LYS 606 -0.449 2.722 -6.947 169 HB2 LYS 606 1HB LYS 606 1.679 1.849 -7.644 170 HB3 LYS 606 2HB LYS 606 1.939 1.087 -6.081 171 HG2 LYS 606 1HG LYS 606 0.194 -0.500 -6.496 172 HG3 LYS 606 2HG LYS 606 -0.271 0.335 -7.978 173 HD2 LYS 606 1HD LYS 606 2.477 -0.820 -7.576 174 HD3 LYS 606 2HD LYS 606 1.141 -1.770 -8.229 175 HE2 LYS 606 1HE LYS 606 2.168 0.817 -9.390 176 HE3 LYS 606 2HE LYS 606 2.563 -0.791 -9.990 177 HZ1 LYS 606 3HZ LYS 606 0.794 0.190 -11.284 178 HZ2 LYS 606 1HZ LYS 606 -0.151 0.415 -9.902 179 HZ3 LYS 606 2HZ LYS 606 0.205 -1.147 -10.438 180 H LEU 607 H LEU 607 0.802 1.795 -3.787 181 HA LEU 607 HA LEU 607 -1.099 -0.151 -3.120 182 HB2 LEU 607 1HB LEU 607 1.081 0.482 -1.938 183 HB3 LEU 607 2HB LEU 607 0.173 1.771 -1.179 184 HG LEU 607 HG LEU 607 -0.675 -1.104 -0.913 185 HD11 LEU 607 1HD1 LEU 607 1.628 -0.982 -0.166 186 HD12 LEU 607 2HD1 LEU 607 0.547 -1.134 1.218 187 HD13 LEU 607 3HD1 LEU 607 1.255 0.430 0.821 188 HD21 LEU 607 3HD2 LEU 607 -1.108 1.327 0.819 189 HD22 LEU 607 1HD2 LEU 607 -1.743 -0.290 1.119 190 HD23 LEU 607 2HD2 LEU 607 -2.295 0.631 -0.282 191 H VAL 608 H VAL 608 -1.059 3.354 -2.455 192 HA VAL 608 HA VAL 608 -3.596 3.525 -1.268 193 HB VAL 608 HB VAL 608 -2.119 5.604 -2.898 194 HG11 VAL 608 1HG1 VAL 608 -3.510 7.257 -1.759 195 HG12 VAL 608 2HG1 VAL 608 -4.408 5.964 -0.967 196 HG13 VAL 608 3HG1 VAL 608 -4.493 6.150 -2.719 197 HG21 VAL 608 3HG2 VAL 608 -1.438 6.489 -0.703 198 HG22 VAL 608 1HG2 VAL 608 -0.831 4.857 -0.987 199 HG23 VAL 608 2HG2 VAL 608 -2.216 5.111 0.075 200 H GLN 609 H GLN 609 -2.588 3.840 -4.644 201 HA GLN 609 HA GLN 609 -5.023 4.528 -5.797 202 HB2 GLN 609 1HB GLN 609 -2.845 4.584 -6.958 203 HB3 GLN 609 2HB GLN 609 -2.815 2.832 -6.980 204 HG2 GLN 609 1HG GLN 609 -5.180 4.092 -8.199 205 HG3 GLN 609 2HG GLN 609 -3.644 4.343 -9.024 206 HE21 GLN 609 1HE2 GLN 609 -6.048 2.011 -8.078 207 HE22 GLN 609 2HE2 GLN 609 -5.476 0.723 -9.078 208 H ALA 610 H ALA 610 -3.734 1.364 -4.951 209 HA ALA 610 HA ALA 610 -5.661 -0.238 -6.197 210 HB1 ALA 610 3HB ALA 610 -4.954 -1.992 -4.662 211 HB2 ALA 610 1HB ALA 610 -4.136 -0.796 -3.657 212 HB3 ALA 610 2HB ALA 610 -3.564 -1.110 -5.294 213 H ILE 611 H ILE 611 -5.694 1.399 -3.074 214 HA ILE 611 HA ILE 611 -8.111 0.022 -2.256 215 HB ILE 611 HB ILE 611 -6.538 2.259 -0.875 216 HG12 ILE 611 1HG1 ILE 611 -6.637 -0.560 0.198 217 HG13 ILE 611 2HG1 ILE 611 -5.540 -0.169 -1.137 218 HG21 ILE 611 1HG2 ILE 611 -7.805 1.892 1.117 219 HG22 ILE 611 2HG2 ILE 611 -8.717 0.584 0.372 220 HG23 ILE 611 3HG2 ILE 611 -8.917 2.244 -0.206 221 HD11 ILE 611 3HD1 ILE 611 -4.424 -0.024 1.004 222 HD12 ILE 611 1HD1 ILE 611 -5.615 1.146 1.568 223 HD13 ILE 611 2HD1 ILE 611 -4.514 1.570 0.257 224 H PHE 612 H PHE 612 -7.205 3.113 -3.626 225 HA PHE 612 HA PHE 612 -9.968 3.784 -4.052 226 HB2 PHE 612 1HB PHE 612 -9.461 4.555 -1.695 227 HB3 PHE 612 2HB PHE 612 -8.286 5.664 -2.382 228 HD1 PHE 612 HD2 PHE 612 -11.721 4.767 -3.526 229 HD2 PHE 612 HD1 PHE 612 -9.114 7.783 -2.033 230 HE1 PHE 612 HE2 PHE 612 -13.492 6.448 -3.841 231 HE2 PHE 612 HE1 PHE 612 -10.886 9.463 -2.329 232 HZ PHE 612 HZ PHE 612 -13.075 8.798 -3.235 233 HA PRO 613 HA PRO 613 -6.990 4.915 -7.287 234 HB2 PRO 613 1HB PRO 613 -8.678 4.624 -9.416 235 HB3 PRO 613 2HB PRO 613 -7.857 3.266 -8.633 236 HG2 PRO 613 1HG PRO 613 -10.685 4.181 -8.399 237 HG3 PRO 613 2HG PRO 613 -10.026 2.540 -8.333 238 HD2 PRO 613 1HD PRO 613 -10.837 4.020 -6.125 239 HD3 PRO 613 2HD PRO 613 -9.701 2.645 -6.083 240 H THR 614 H THR 614 -10.240 6.312 -7.023 241 HA THR 614 HA THR 614 -9.600 8.526 -8.747 242 HB THR 614 HB THR 614 -11.847 9.400 -7.956 243 HG1 THR 614 HG1 THR 614 -11.784 8.158 -5.951 244 HG21 THR 614 1HG2 THR 614 -13.123 7.701 -9.198 245 HG22 THR 614 2HG2 THR 614 -11.735 6.614 -9.124 246 HG23 THR 614 3HG2 THR 614 -11.624 8.126 -10.025 247 HA PRO 615 HA PRO 615 -7.895 10.823 -5.210 248 HB2 PRO 615 1HB PRO 615 -6.707 12.585 -7.186 249 HB3 PRO 615 2HB PRO 615 -5.901 11.444 -6.095 250 HG2 PRO 615 1HG PRO 615 -5.970 11.082 -8.799 251 HG3 PRO 615 2HG PRO 615 -5.901 9.728 -7.644 252 HD2 PRO 615 1HD PRO 615 -8.293 10.902 -9.061 253 HD3 PRO 615 2HD PRO 615 -7.847 9.189 -8.867 254 H ASP 616 H ASP 616 -10.271 11.388 -5.103 255 HA ASP 616 HA ASP 616 -11.285 13.690 -6.423 256 HB2 ASP 616 1HB ASP 616 -12.736 11.953 -5.371 257 HB3 ASP 616 2HB ASP 616 -12.164 12.465 -3.785 258 HA PRO 617 HA PRO 617 -8.908 16.812 -4.418 259 HB2 PRO 617 1HB PRO 617 -10.776 18.881 -4.762 260 HB3 PRO 617 2HB PRO 617 -9.525 18.401 -5.918 261 HG2 PRO 617 1HG PRO 617 -12.418 17.692 -5.837 262 HG3 PRO 617 2HG PRO 617 -11.374 18.016 -7.236 263 HD2 PRO 617 1HD PRO 617 -12.088 15.521 -6.578 264 HD3 PRO 617 2HD PRO 617 -10.465 15.874 -7.225 265 H ALA 618 H ALA 618 -12.243 16.181 -3.422 266 HA ALA 618 HA ALA 618 -11.991 17.775 -1.029 267 HB1 ALA 618 3HB ALA 618 -14.170 17.506 -2.116 268 HB2 ALA 618 1HB ALA 618 -14.196 16.899 -0.461 269 HB3 ALA 618 2HB ALA 618 -14.106 15.769 -1.813 270 H ALA 619 H ALA 619 -12.335 14.300 -1.728 271 HA ALA 619 HA ALA 619 -11.740 13.300 0.789 272 HB1 ALA 619 3HB ALA 619 -11.075 12.076 -1.884 273 HB2 ALA 619 1HB ALA 619 -12.603 11.918 -1.021 274 HB3 ALA 619 2HB ALA 619 -11.133 11.219 -0.345 275 H LEU 620 H LEU 620 -9.651 14.630 -1.617 276 HA LEU 620 HA LEU 620 -7.175 13.543 -0.813 277 HB2 LEU 620 1HB LEU 620 -8.059 15.316 -2.753 278 HB3 LEU 620 2HB LEU 620 -7.047 16.313 -1.729 279 HG LEU 620 HG LEU 620 -5.771 15.444 -3.604 280 HD11 LEU 620 1HD1 LEU 620 -4.968 14.124 -1.020 281 HD12 LEU 620 2HD1 LEU 620 -4.581 15.772 -1.510 282 HD13 LEU 620 3HD1 LEU 620 -3.917 14.406 -2.406 283 HD21 LEU 620 3HD2 LEU 620 -5.362 13.061 -3.885 284 HD22 LEU 620 1HD2 LEU 620 -7.080 13.431 -4.031 285 HD23 LEU 620 2HD2 LEU 620 -6.457 12.705 -2.550 286 H LYS 621 H LYS 621 -9.146 16.119 0.439 287 HA LYS 621 HA LYS 621 -7.066 16.822 2.397 288 HB2 LYS 621 1HB LYS 621 -9.621 18.263 1.624 289 HB3 LYS 621 2HB LYS 621 -8.518 18.795 2.890 290 HG2 LYS 621 1HG LYS 621 -6.724 18.978 1.194 291 HG3 LYS 621 2HG LYS 621 -7.906 18.566 -0.049 292 HD2 LYS 621 1HD LYS 621 -8.168 20.916 1.821 293 HD3 LYS 621 2HD LYS 621 -7.472 21.014 0.205 294 HE2 LYS 621 1HE LYS 621 -10.264 20.046 0.805 295 HE3 LYS 621 2HE LYS 621 -9.863 21.694 0.330 296 HZ1 LYS 621 3HZ LYS 621 -9.453 19.240 -1.291 297 HZ2 LYS 621 1HZ LYS 621 -8.917 20.783 -1.733 298 HZ3 LYS 621 2HZ LYS 621 -10.570 20.474 -1.579 299 H ASP 622 H ASP 622 -9.075 14.469 2.332 300 HA ASP 622 HA ASP 622 -10.560 14.972 4.800 301 HB2 ASP 622 1HB ASP 622 -11.526 13.681 2.803 302 HB3 ASP 622 2HB ASP 622 -10.465 12.362 3.280 303 H ARG 623 H ARG 623 -9.857 14.399 6.727 304 HA ARG 623 HA ARG 623 -7.290 13.506 7.223 305 HB2 ARG 623 1HB ARG 623 -9.728 13.514 8.987 306 HB3 ARG 623 2HB ARG 623 -8.125 13.090 9.568 307 HG2 ARG 623 1HG ARG 623 -9.008 15.739 8.440 308 HG3 ARG 623 2HG ARG 623 -8.564 15.378 10.109 309 HD2 ARG 623 1HD ARG 623 -6.764 15.398 7.690 310 HD3 ARG 623 2HD ARG 623 -6.717 16.492 9.072 311 HE ARG 623 HE ARG 623 -6.342 14.032 10.171 312 HH11 ARG 623 1HH1 ARG 623 -4.737 15.864 7.658 313 HH12 ARG 623 2HH1 ARG 623 -3.202 15.093 7.900 314 HH21 ARG 623 1HH2 ARG 623 -4.319 13.015 10.488 315 HH22 ARG 623 2HH2 ARG 623 -2.965 13.476 9.508 316 H ARG 624 H ARG 624 -10.266 11.603 6.939 317 HA ARG 624 HA ARG 624 -9.213 9.225 8.020 318 HB2 ARG 624 1HB ARG 624 -11.655 9.697 7.525 319 HB3 ARG 624 2HB ARG 624 -11.297 9.335 5.840 320 HG2 ARG 624 1HG ARG 624 -10.544 7.095 6.488 321 HG3 ARG 624 2HG ARG 624 -10.934 7.459 8.168 322 HD2 ARG 624 1HD ARG 624 -12.870 7.357 5.859 323 HD3 ARG 624 2HD ARG 624 -12.704 6.154 7.135 324 HE ARG 624 HE ARG 624 -13.610 8.927 7.616 325 HH11 ARG 624 1HH1 ARG 624 -13.738 5.492 8.306 326 HH12 ARG 624 2HH1 ARG 624 -15.079 5.631 9.393 327 HH21 ARG 624 1HH2 ARG 624 -15.362 9.114 9.059 328 HH22 ARG 624 2HH2 ARG 624 -16.004 7.697 9.826 329 H MET 625 H MET 625 -9.177 10.545 4.720 330 HA MET 625 HA MET 625 -7.972 8.369 3.455 331 HB2 MET 625 1HB MET 625 -8.760 10.075 2.023 332 HB3 MET 625 2HB MET 625 -7.816 11.316 2.838 333 HG2 MET 625 1HG MET 625 -5.741 10.339 1.999 334 HG3 MET 625 2HG MET 625 -6.661 9.046 1.227 335 HE1 MET 625 3HE MET 625 -7.971 9.250 -0.964 336 HE2 MET 625 1HE MET 625 -8.433 10.780 -1.711 337 HE3 MET 625 2HE MET 625 -9.090 10.332 -0.137 338 H GLU 626 H GLU 626 -6.549 10.917 5.441 339 HA GLU 626 HA GLU 626 -3.851 10.494 4.819 340 HB2 GLU 626 1HB GLU 626 -4.997 12.354 6.231 341 HB3 GLU 626 2HB GLU 626 -4.797 11.242 7.576 342 HG2 GLU 626 1HG GLU 626 -2.504 12.142 5.859 343 HG3 GLU 626 2HG GLU 626 -3.030 13.026 7.287 344 H ASN 627 H ASN 627 -6.020 8.919 7.117 345 HA ASN 627 HA ASN 627 -4.125 7.314 8.440 346 HB2 ASN 627 1HB ASN 627 -7.061 6.875 7.886 347 HB3 ASN 627 2HB ASN 627 -6.095 5.749 8.829 348 HD21 ASN 627 1HD2 ASN 627 -5.604 9.210 8.938 349 HD22 ASN 627 2HD2 ASN 627 -6.206 9.437 10.542 350 H LEU 628 H LEU 628 -5.900 6.874 5.439 351 HA LEU 628 HA LEU 628 -4.981 4.189 4.970 352 HB2 LEU 628 1HB LEU 628 -6.569 4.256 3.412 353 HB3 LEU 628 2HB LEU 628 -6.806 5.967 3.713 354 HG LEU 628 HG LEU 628 -4.824 6.264 2.033 355 HD11 LEU 628 1HD1 LEU 628 -5.818 3.508 1.328 356 HD12 LEU 628 2HD1 LEU 628 -4.198 3.928 1.884 357 HD13 LEU 628 3HD1 LEU 628 -4.773 4.507 0.322 358 HD21 LEU 628 3HD2 LEU 628 -7.562 5.382 1.131 359 HD22 LEU 628 1HD2 LEU 628 -6.412 6.326 0.186 360 HD23 LEU 628 2HD2 LEU 628 -7.116 7.006 1.651 361 H VAL 629 H VAL 629 -3.846 7.413 4.134 362 HA VAL 629 HA VAL 629 -1.759 6.646 2.376 363 HB VAL 629 HB VAL 629 -1.976 9.082 4.165 364 HG11 VAL 629 1HG1 VAL 629 0.339 8.703 3.487 365 HG12 VAL 629 2HG1 VAL 629 -0.335 10.104 2.653 366 HG13 VAL 629 3HG1 VAL 629 -0.171 8.569 1.804 367 HG21 VAL 629 3HG2 VAL 629 -2.732 10.234 2.144 368 HG22 VAL 629 1HG2 VAL 629 -3.813 8.908 2.570 369 HG23 VAL 629 2HG2 VAL 629 -2.661 8.717 1.250 370 H ALA 630 H ALA 630 -1.898 7.308 5.847 371 HA ALA 630 HA ALA 630 0.771 6.724 6.458 372 HB1 ALA 630 3HB ALA 630 -1.676 6.479 8.206 373 HB2 ALA 630 1HB ALA 630 -0.674 7.913 8.000 374 HB3 ALA 630 2HB ALA 630 -0.006 6.475 8.773 375 H TYR 631 H TYR 631 -2.100 4.671 6.273 376 HA TYR 631 HA TYR 631 -1.015 2.271 7.201 377 HB2 TYR 631 1HB TYR 631 -3.408 2.513 6.812 378 HB3 TYR 631 2HB TYR 631 -3.136 2.747 5.090 379 HD1 TYR 631 HD1 TYR 631 -2.401 0.223 7.753 380 HD2 TYR 631 HD2 TYR 631 -3.532 0.945 3.714 381 HE1 TYR 631 HE1 TYR 631 -2.690 -2.193 7.405 382 HE2 TYR 631 HE2 TYR 631 -3.817 -1.467 3.357 383 HH TYR 631 HH TYR 631 -3.861 -3.713 5.938 384 H ALA 632 H ALA 632 -0.955 3.706 3.956 385 HA ALA 632 HA ALA 632 0.338 1.549 2.663 386 HB1 ALA 632 3HB ALA 632 -0.838 3.367 1.462 387 HB2 ALA 632 1HB ALA 632 0.801 3.105 0.867 388 HB3 ALA 632 2HB ALA 632 0.455 4.474 1.926 389 H LYS 633 H LYS 633 1.616 4.579 4.044 390 HA LYS 633 HA LYS 633 4.307 4.238 3.750 391 HB2 LYS 633 1HB LYS 633 2.798 5.252 6.138 392 HB3 LYS 633 2HB LYS 633 4.465 5.609 5.780 393 HG2 LYS 633 1HG LYS 633 2.026 6.486 4.257 394 HG3 LYS 633 2HG LYS 633 3.115 7.499 5.202 395 HD2 LYS 633 1HD LYS 633 4.927 6.974 3.611 396 HD3 LYS 633 2HD LYS 633 3.779 6.023 2.665 397 HE2 LYS 633 1HE LYS 633 3.166 8.878 3.312 398 HE3 LYS 633 2HE LYS 633 4.283 8.500 1.997 399 HZ1 LYS 633 3HZ LYS 633 2.595 7.340 0.856 400 HZ2 LYS 633 1HZ LYS 633 1.909 8.798 1.355 401 HZ3 LYS 633 2HZ LYS 633 1.551 7.370 2.186 402 H LYS 634 H LYS 634 2.338 3.228 6.510 403 HA LYS 634 HA LYS 634 4.325 1.996 8.008 404 HB2 LYS 634 1HB LYS 634 2.066 2.485 8.857 405 HB3 LYS 634 2HB LYS 634 1.408 1.221 7.830 406 HG2 LYS 634 1HG LYS 634 1.602 0.443 10.112 407 HG3 LYS 634 2HG LYS 634 2.698 -0.455 9.064 408 HD2 LYS 634 1HD LYS 634 3.786 0.119 11.171 409 HD3 LYS 634 2HD LYS 634 4.565 0.945 9.822 410 HE2 LYS 634 1HE LYS 634 3.416 2.999 10.364 411 HE3 LYS 634 2HE LYS 634 2.496 2.189 11.631 412 HZ1 LYS 634 3HZ LYS 634 4.361 3.467 12.514 413 HZ2 LYS 634 1HZ LYS 634 5.447 2.534 11.616 414 HZ3 LYS 634 2HZ LYS 634 4.534 1.820 12.848 415 H VAL 635 H VAL 635 2.112 0.507 5.641 416 HA VAL 635 HA VAL 635 3.159 -2.055 5.682 417 HB VAL 635 HB VAL 635 1.796 -0.494 3.511 418 HG11 VAL 635 1HG1 VAL 635 3.342 -1.937 2.319 419 HG12 VAL 635 2HG1 VAL 635 1.705 -2.579 2.176 420 HG13 VAL 635 3HG1 VAL 635 2.847 -3.315 3.297 421 HG21 VAL 635 3HG2 VAL 635 1.021 -3.035 4.928 422 HG22 VAL 635 1HG2 VAL 635 -0.003 -2.007 3.929 423 HG23 VAL 635 2HG2 VAL 635 0.568 -1.425 5.493 424 H GLU 636 H GLU 636 4.160 0.639 3.539 425 HA GLU 636 HA GLU 636 6.179 -0.801 2.240 426 HB2 GLU 636 1HB GLU 636 6.924 1.182 1.284 427 HB3 GLU 636 2HB GLU 636 5.235 1.502 1.608 428 HG2 GLU 636 1HG GLU 636 6.164 3.468 2.279 429 HG3 GLU 636 2HG GLU 636 6.203 2.597 3.805 430 H GLY 637 H GLY 637 6.290 1.035 5.243 431 HA2 GLY 637 1HA GLY 637 9.062 0.781 5.715 432 HA3 GLY 637 2HA GLY 637 7.841 1.041 6.951 433 H ASP 638 H ASP 638 6.345 -1.253 6.813 434 HA ASP 638 HA ASP 638 7.974 -3.101 8.200 435 HB2 ASP 638 1HB ASP 638 5.499 -2.860 8.505 436 HB3 ASP 638 2HB ASP 638 5.278 -3.677 6.952 437 H MET 639 H MET 639 6.615 -3.124 4.928 438 HA MET 639 HA MET 639 7.607 -5.606 4.080 439 HB2 MET 639 1HB MET 639 7.266 -3.100 2.391 440 HB3 MET 639 2HB MET 639 7.490 -4.726 1.761 441 HG2 MET 639 1HG MET 639 5.150 -3.894 3.463 442 HG3 MET 639 2HG MET 639 5.133 -3.872 1.697 443 HE1 MET 639 3HE MET 639 2.920 -5.313 3.194 444 HE2 MET 639 1HE MET 639 2.852 -6.915 2.450 445 HE3 MET 639 2HE MET 639 3.075 -5.486 1.437 446 H TYR 640 H TYR 640 9.129 -2.476 4.306 447 HA TYR 640 HA TYR 640 11.365 -2.844 2.743 448 HB2 TYR 640 1HB TYR 640 10.631 -0.742 4.152 449 HB3 TYR 640 2HB TYR 640 11.734 -1.415 5.351 450 HD1 TYR 640 HD2 TYR 640 11.689 -0.803 1.671 451 HD2 TYR 640 HD1 TYR 640 13.889 -0.523 5.306 452 HE1 TYR 640 HE2 TYR 640 13.553 0.222 0.461 453 HE2 TYR 640 HE1 TYR 640 15.763 0.495 4.097 454 HH TYR 640 HH TYR 640 15.498 1.653 0.912 455 H GLU 641 H GLU 641 10.868 -4.082 6.027 456 HA GLU 641 HA GLU 641 13.576 -5.023 6.324 457 HB2 GLU 641 1HB GLU 641 11.050 -5.428 7.819 458 HB3 GLU 641 2HB GLU 641 12.249 -6.727 7.965 459 HG2 GLU 641 1HG GLU 641 12.644 -5.192 9.787 460 HG3 GLU 641 2HG GLU 641 13.934 -4.893 8.610 461 H SER 642 H SER 642 10.560 -6.486 5.311 462 HA SER 642 HA SER 642 11.499 -9.077 4.764 463 HB2 SER 642 1HB SER 642 9.076 -7.976 4.899 464 HB3 SER 642 2HB SER 642 9.285 -7.897 3.152 465 HG SER 642 HG SER 642 8.298 -9.866 4.185 466 H ALA 643 H ALA 643 11.366 -6.149 2.906 467 HA ALA 643 HA ALA 643 11.896 -6.930 0.316 468 HB1 ALA 643 3HB ALA 643 12.632 -4.656 -0.049 469 HB2 ALA 643 1HB ALA 643 12.803 -4.418 1.690 470 HB3 ALA 643 2HB ALA 643 11.208 -4.698 0.992 471 H ASN 644 H ASN 644 13.755 -8.333 2.205 472 HA ASN 644 HA ASN 644 16.389 -7.236 1.889 473 HB2 ASN 644 1HB ASN 644 15.532 -8.859 3.744 474 HB3 ASN 644 2HB ASN 644 15.753 -10.131 2.543 475 HD21 ASN 644 1HD2 ASN 644 17.842 -7.299 2.930 476 HD22 ASN 644 2HD2 ASN 644 19.244 -8.178 3.447 477 H SER 645 H SER 645 14.372 -8.619 -0.329 478 HA SER 645 HA SER 645 16.596 -8.964 -2.149 479 HB2 SER 645 1HB SER 645 15.609 -11.111 -3.053 480 HB3 SER 645 2HB SER 645 16.350 -11.245 -1.459 481 HG SER 645 HG SER 645 14.269 -11.152 -0.544 482 H ARG 646 H ARG 646 16.016 -8.590 -4.341 483 HA ARG 646 HA ARG 646 14.118 -6.583 -4.684 484 HB2 ARG 646 1HB ARG 646 15.400 -8.400 -6.725 485 HB3 ARG 646 2HB ARG 646 14.392 -7.031 -7.159 486 HG2 ARG 646 1HG ARG 646 16.880 -6.780 -5.493 487 HG3 ARG 646 2HG ARG 646 16.865 -6.646 -7.251 488 HD2 ARG 646 1HD ARG 646 15.343 -4.907 -5.318 489 HD3 ARG 646 2HD ARG 646 16.794 -4.447 -6.204 490 HE ARG 646 HE ARG 646 14.501 -5.279 -7.797 491 HH11 ARG 646 1HH1 ARG 646 16.413 -2.617 -6.531 492 HH12 ARG 646 2HH1 ARG 646 15.731 -1.456 -7.619 493 HH21 ARG 646 1HH2 ARG 646 13.623 -3.742 -9.227 494 HH22 ARG 646 2HH2 ARG 646 14.155 -2.093 -9.154 495 H ASP 647 H ASP 647 13.890 -9.976 -5.671 496 HA ASP 647 HA ASP 647 11.378 -9.791 -6.902 497 HB2 ASP 647 1HB ASP 647 12.921 -11.672 -7.260 498 HB3 ASP 647 2HB ASP 647 12.657 -12.210 -5.604 499 H GLU 648 H GLU 648 12.284 -10.624 -3.605 500 HA GLU 648 HA GLU 648 9.753 -11.391 -2.674 501 HB2 GLU 648 1HB GLU 648 11.936 -11.790 -1.526 502 HB3 GLU 648 2HB GLU 648 11.962 -10.096 -1.077 503 HG2 GLU 648 1HG GLU 648 10.113 -10.345 0.374 504 HG3 GLU 648 2HG GLU 648 9.721 -11.920 -0.307 505 H TYR 649 H TYR 649 11.389 -8.257 -2.674 506 HA TYR 649 HA TYR 649 9.538 -6.794 -1.199 507 HB2 TYR 649 1HB TYR 649 11.831 -6.036 -1.968 508 HB3 TYR 649 2HB TYR 649 11.116 -5.698 -3.539 509 HD1 TYR 649 HD2 TYR 649 8.976 -5.028 -0.691 510 HD2 TYR 649 HD1 TYR 649 11.992 -3.378 -3.194 511 HE1 TYR 649 HE2 TYR 649 8.373 -2.774 0.073 512 HE2 TYR 649 HE1 TYR 649 11.403 -1.120 -2.428 513 HH TYR 649 HH TYR 649 9.353 -0.560 0.248 514 H TYR 650 H TYR 650 9.623 -7.320 -4.746 515 HA TYR 650 HA TYR 650 7.442 -5.617 -5.277 516 HB2 TYR 650 1HB TYR 650 8.993 -7.667 -6.814 517 HB3 TYR 650 2HB TYR 650 7.527 -6.987 -7.478 518 HD1 TYR 650 HD2 TYR 650 10.888 -6.081 -6.221 519 HD2 TYR 650 HD1 TYR 650 7.511 -4.891 -8.517 520 HE1 TYR 650 HE2 TYR 650 12.150 -4.147 -7.067 521 HE2 TYR 650 HE1 TYR 650 8.764 -2.958 -9.371 522 HH TYR 650 HH TYR 650 10.663 -1.583 -8.764 523 H HIS 651 H HIS 651 7.824 -9.026 -4.584 524 HA HIS 651 HA HIS 651 5.311 -9.870 -5.607 525 HB2 HIS 651 1HB HIS 651 7.527 -11.070 -4.062 526 HB3 HIS 651 2HB HIS 651 5.954 -11.803 -3.851 527 HD1 HIS 651 HD1 HIS 651 5.146 -13.331 -5.682 528 HD2 HIS 651 HD2 HIS 651 8.479 -11.120 -6.785 529 HE1 HIS 651 HE1 HIS 651 5.874 -14.274 -7.891 530 HE2 HIS 651 HE2 HIS 651 8.000 -13.043 -8.444 531 H LEU 652 H LEU 652 6.472 -9.002 -2.380 532 HA LEU 652 HA LEU 652 4.181 -9.796 -0.960 533 HB2 LEU 652 1HB LEU 652 6.158 -7.611 -0.320 534 HB3 LEU 652 2HB LEU 652 5.013 -8.305 0.813 535 HG LEU 652 HG LEU 652 7.208 -9.865 -0.548 536 HD11 LEU 652 1HD1 LEU 652 8.176 -8.206 0.909 537 HD12 LEU 652 2HD1 LEU 652 8.310 -9.802 1.650 538 HD13 LEU 652 3HD1 LEU 652 7.081 -8.669 2.212 539 HD21 LEU 652 3HD2 LEU 652 5.374 -10.557 1.747 540 HD22 LEU 652 1HD2 LEU 652 6.699 -11.556 1.149 541 HD23 LEU 652 2HD2 LEU 652 5.305 -11.232 0.119 542 H LEU 653 H LEU 653 5.113 -6.600 -2.208 543 HA LEU 653 HA LEU 653 2.773 -5.271 -1.390 544 HB2 LEU 653 1HB LEU 653 4.761 -4.690 -3.580 545 HB3 LEU 653 2HB LEU 653 3.412 -3.628 -3.226 546 HG LEU 653 HG LEU 653 5.201 -4.359 -0.966 547 HD11 LEU 653 1HD1 LEU 653 6.823 -3.898 -2.673 548 HD12 LEU 653 2HD1 LEU 653 6.718 -2.495 -1.607 549 HD13 LEU 653 3HD1 LEU 653 5.935 -2.467 -3.187 550 HD21 LEU 653 3HD2 LEU 653 3.193 -2.921 -0.706 551 HD22 LEU 653 1HD2 LEU 653 3.926 -1.757 -1.812 552 HD23 LEU 653 2HD2 LEU 653 4.695 -2.109 -0.264 553 H ALA 654 H ALA 654 3.647 -6.811 -4.488 554 HA ALA 654 HA ALA 654 1.280 -6.208 -5.866 555 HB1 ALA 654 3HB ALA 654 1.913 -7.981 -7.401 556 HB2 ALA 654 1HB ALA 654 3.077 -8.600 -6.231 557 HB3 ALA 654 2HB ALA 654 3.317 -7.012 -6.958 558 H GLU 655 H GLU 655 2.130 -9.020 -3.880 559 HA GLU 655 HA GLU 655 -0.258 -10.455 -4.277 560 HB2 GLU 655 1HB GLU 655 1.508 -11.682 -3.251 561 HB3 GLU 655 2HB GLU 655 1.676 -10.483 -1.960 562 HG2 GLU 655 1HG GLU 655 -0.394 -11.176 -0.987 563 HG3 GLU 655 2HG GLU 655 -0.758 -12.200 -2.375 564 H LYS 656 H LYS 656 0.618 -7.972 -1.933 565 HA LYS 656 HA LYS 656 -1.764 -7.978 -0.453 566 HB2 LYS 656 1HB LYS 656 0.199 -6.775 0.322 567 HB3 LYS 656 2HB LYS 656 0.117 -5.694 -1.066 568 HG2 LYS 656 1HG LYS 656 -2.115 -4.943 -0.262 569 HG3 LYS 656 2HG LYS 656 -1.859 -5.907 1.192 570 HD2 LYS 656 1HD LYS 656 0.147 -4.592 1.698 571 HD3 LYS 656 2HD LYS 656 -0.129 -3.623 0.248 572 HE2 LYS 656 1HE LYS 656 -0.955 -2.514 2.285 573 HE3 LYS 656 2HE LYS 656 -2.244 -2.847 1.129 574 HZ1 LYS 656 3HZ LYS 656 -2.895 -4.757 2.413 575 HZ2 LYS 656 1HZ LYS 656 -2.857 -3.403 3.431 576 HZ3 LYS 656 2HZ LYS 656 -1.601 -4.538 3.481 577 H ILE 657 H ILE 657 -0.866 -6.219 -3.408 578 HA ILE 657 HA ILE 657 -3.177 -4.609 -3.552 579 HB ILE 657 HB ILE 657 -1.382 -5.584 -5.798 580 HG12 ILE 657 1HG1 ILE 657 -1.392 -2.981 -4.243 581 HG13 ILE 657 2HG1 ILE 657 -0.228 -4.285 -4.033 582 HG21 ILE 657 1HG2 ILE 657 -3.377 -3.314 -5.762 583 HG22 ILE 657 2HG2 ILE 657 -3.552 -4.833 -6.641 584 HG23 ILE 657 3HG2 ILE 657 -2.274 -3.701 -7.083 585 HD11 ILE 657 3HD1 ILE 657 -0.620 -2.631 -6.514 586 HD12 ILE 657 1HD1 ILE 657 0.524 -3.961 -6.343 587 HD13 ILE 657 2HD1 ILE 657 0.712 -2.506 -5.364 588 H TYR 658 H TYR 658 -2.397 -7.773 -4.951 589 HA TYR 658 HA TYR 658 -4.861 -8.097 -6.322 590 HB2 TYR 658 1HB TYR 658 -2.578 -9.500 -6.438 591 HB3 TYR 658 2HB TYR 658 -3.459 -10.530 -5.315 592 HD1 TYR 658 HD2 TYR 658 -4.524 -8.622 -8.353 593 HD2 TYR 658 HD1 TYR 658 -4.166 -12.430 -6.475 594 HE1 TYR 658 HE2 TYR 658 -5.645 -9.671 -10.263 595 HE2 TYR 658 HE1 TYR 658 -5.284 -13.480 -8.388 596 HH TYR 658 HH TYR 658 -6.796 -12.868 -10.216 597 H LYS 659 H LYS 659 -3.769 -8.975 -3.064 598 HA LYS 659 HA LYS 659 -5.995 -10.318 -2.124 599 HB2 LYS 659 1HB LYS 659 -3.801 -9.938 -0.941 600 HB3 LYS 659 2HB LYS 659 -4.333 -8.298 -0.601 601 HG2 LYS 659 1HG LYS 659 -4.767 -9.531 1.340 602 HG3 LYS 659 2HG LYS 659 -6.332 -9.326 0.544 603 HD2 LYS 659 1HD LYS 659 -6.320 -11.565 1.131 604 HD3 LYS 659 2HD LYS 659 -5.823 -11.598 -0.551 605 HE2 LYS 659 1HE LYS 659 -3.511 -11.826 0.093 606 HE3 LYS 659 2HE LYS 659 -3.935 -11.653 1.794 607 HZ1 LYS 659 3HZ LYS 659 -3.613 -13.952 1.320 608 HZ2 LYS 659 1HZ LYS 659 -4.666 -13.895 -0.005 609 HZ3 LYS 659 2HZ LYS 659 -5.268 -13.708 1.563 610 H ILE 660 H ILE 660 -5.284 -6.856 -2.120 611 HA ILE 660 HA ILE 660 -7.669 -5.921 -0.988 612 HB ILE 660 HB ILE 660 -5.812 -4.594 -2.963 613 HG12 ILE 660 1HG1 ILE 660 -6.048 -4.306 0.033 614 HG13 ILE 660 2HG1 ILE 660 -4.812 -5.242 -0.798 615 HG21 ILE 660 1HG2 ILE 660 -8.041 -3.388 -1.347 616 HG22 ILE 660 2HG2 ILE 660 -7.936 -3.493 -3.105 617 HG23 ILE 660 3HG2 ILE 660 -6.812 -2.466 -2.213 618 HD11 ILE 660 3HD1 ILE 660 -5.214 -2.270 -1.026 619 HD12 ILE 660 1HD1 ILE 660 -3.965 -3.211 -1.837 620 HD13 ILE 660 2HD1 ILE 660 -3.969 -3.081 -0.078 621 H GLN 661 H GLN 661 -6.759 -6.314 -4.407 622 HA GLN 661 HA GLN 661 -9.173 -5.409 -5.506 623 HB2 GLN 661 1HB GLN 661 -7.127 -7.329 -6.643 624 HB3 GLN 661 2HB GLN 661 -8.541 -6.803 -7.533 625 HG2 GLN 661 1HG GLN 661 -7.784 -4.454 -7.318 626 HG3 GLN 661 2HG GLN 661 -6.335 -5.023 -6.493 627 HE21 GLN 661 1HE2 GLN 661 -6.641 -3.557 -9.002 628 HE22 GLN 661 2HE2 GLN 661 -5.839 -4.507 -10.202 629 H LYS 662 H LYS 662 -8.219 -8.611 -4.392 630 HA LYS 662 HA LYS 662 -10.484 -10.003 -5.313 631 HB2 LYS 662 1HB LYS 662 -8.566 -11.245 -4.557 632 HB3 LYS 662 2HB LYS 662 -8.652 -10.507 -2.966 633 HG2 LYS 662 1HG LYS 662 -9.471 -12.784 -2.899 634 HG3 LYS 662 2HG LYS 662 -10.772 -11.648 -2.548 635 HD2 LYS 662 1HD LYS 662 -11.453 -11.825 -4.955 636 HD3 LYS 662 2HD LYS 662 -10.274 -13.127 -5.126 637 HE2 LYS 662 1HE LYS 662 -12.632 -13.094 -3.244 638 HE3 LYS 662 2HE LYS 662 -12.515 -14.013 -4.744 639 HZ1 LYS 662 3HZ LYS 662 -10.792 -14.370 -2.352 640 HZ2 LYS 662 1HZ LYS 662 -10.659 -15.240 -3.796 641 HZ3 LYS 662 2HZ LYS 662 -12.040 -15.398 -2.838 642 H GLU 663 H GLU 663 -9.798 -8.346 -2.251 643 HA GLU 663 HA GLU 663 -12.273 -8.943 -1.035 644 HB2 GLU 663 1HB GLU 663 -10.316 -6.703 -0.525 645 HB3 GLU 663 2HB GLU 663 -11.728 -7.017 0.476 646 HG2 GLU 663 1HG GLU 663 -9.387 -8.854 0.028 647 HG3 GLU 663 2HG GLU 663 -9.783 -7.977 1.504 648 H LEU 664 H LEU 664 -11.195 -6.247 -3.056 649 HA LEU 664 HA LEU 664 -13.525 -4.686 -2.874 650 HB2 LEU 664 1HB LEU 664 -11.621 -4.994 -5.200 651 HB3 LEU 664 2HB LEU 664 -12.813 -3.722 -5.038 652 HG LEU 664 HG LEU 664 -10.427 -4.143 -3.237 653 HD11 LEU 664 1HD1 LEU 664 -9.621 -2.058 -4.223 654 HD12 LEU 664 2HD1 LEU 664 -11.017 -2.027 -5.299 655 HD13 LEU 664 3HD1 LEU 664 -9.822 -3.317 -5.443 656 HD21 LEU 664 3HD2 LEU 664 -11.070 -1.988 -2.251 657 HD22 LEU 664 1HD2 LEU 664 -12.296 -3.228 -1.990 658 HD23 LEU 664 2HD2 LEU 664 -12.540 -1.992 -3.225 659 H GLU 665 H GLU 665 -12.636 -7.338 -5.042 660 HA GLU 665 HA GLU 665 -15.049 -7.342 -6.527 661 HB2 GLU 665 1HB GLU 665 -12.767 -8.531 -6.980 662 HB3 GLU 665 2HB GLU 665 -13.446 -9.825 -6.003 663 HG2 GLU 665 1HG GLU 665 -13.796 -10.254 -8.355 664 HG3 GLU 665 2HG GLU 665 -15.335 -9.995 -7.536 665 H GLU 666 H GLU 666 -13.977 -8.965 -3.606 666 HA GLU 666 HA GLU 666 -16.093 -10.754 -3.249 667 HB2 GLU 666 1HB GLU 666 -13.874 -10.752 -2.063 668 HB3 GLU 666 2HB GLU 666 -14.474 -9.433 -1.070 669 HG2 GLU 666 1HG GLU 666 -14.732 -11.410 0.184 670 HG3 GLU 666 2HG GLU 666 -16.343 -10.945 -0.362 671 H LYS 667 H LYS 667 -15.685 -7.417 -2.083 672 HA LYS 667 HA LYS 667 -17.977 -7.361 -0.478 673 HB2 LYS 667 1HB LYS 667 -17.856 -4.942 -0.558 674 HB3 LYS 667 2HB LYS 667 -16.252 -5.622 -0.361 675 HG2 LYS 667 1HG LYS 667 -15.806 -5.245 -2.731 676 HG3 LYS 667 2HG LYS 667 -17.419 -4.554 -2.919 677 HD2 LYS 667 1HD LYS 667 -16.866 -2.784 -1.350 678 HD3 LYS 667 2HD LYS 667 -15.272 -3.490 -1.087 679 HE2 LYS 667 1HE LYS 667 -15.127 -1.612 -2.617 680 HE3 LYS 667 2HE LYS 667 -14.727 -3.113 -3.448 681 HZ1 LYS 667 3HZ LYS 667 -16.154 -1.756 -4.808 682 HZ2 LYS 667 1HZ LYS 667 -17.320 -1.676 -3.584 683 HZ3 LYS 667 2HZ LYS 667 -16.987 -3.148 -4.339 684 H ARG 668 H ARG 668 -17.603 -6.750 -3.945 685 HA ARG 668 HA ARG 668 -20.199 -5.917 -4.462 686 HB2 ARG 668 1HB ARG 668 -18.333 -7.458 -6.238 687 HB3 ARG 668 2HB ARG 668 -19.796 -6.661 -6.788 688 HG2 ARG 668 1HG ARG 668 -18.867 -4.502 -6.224 689 HG3 ARG 668 2HG ARG 668 -17.421 -5.274 -5.566 690 HD2 ARG 668 1HD ARG 668 -16.884 -6.180 -7.753 691 HD3 ARG 668 2HD ARG 668 -18.360 -5.491 -8.424 692 HE ARG 668 HE ARG 668 -17.239 -3.283 -7.611 693 HH11 ARG 668 1HH1 ARG 668 -15.610 -6.059 -9.009 694 HH12 ARG 668 2HH1 ARG 668 -14.382 -5.100 -9.775 695 HH21 ARG 668 1HH2 ARG 668 -15.617 -2.029 -8.617 696 HH22 ARG 668 2HH2 ARG 668 -14.377 -2.815 -9.543 697 H ARG 669 H ARG 669 -18.870 -8.933 -3.879 698 HA ARG 669 HA ARG 669 -20.988 -10.540 -4.979 699 HB2 ARG 669 1HB ARG 669 -18.652 -11.346 -4.817 700 HB3 ARG 669 2HB ARG 669 -18.773 -11.277 -3.065 701 HG2 ARG 669 1HG ARG 669 -19.005 -13.554 -3.857 702 HG3 ARG 669 2HG ARG 669 -20.505 -13.002 -3.114 703 HD2 ARG 669 1HD ARG 669 -20.057 -12.846 -6.078 704 HD3 ARG 669 2HD ARG 669 -20.663 -14.311 -5.312 705 HE ARG 669 HE ARG 669 -22.302 -12.310 -4.400 706 HH11 ARG 669 1HH1 ARG 669 -21.387 -13.535 -7.554 707 HH12 ARG 669 2HH1 ARG 669 -22.907 -13.139 -8.289 708 HH21 ARG 669 1HH2 ARG 669 -24.306 -11.784 -5.363 709 HH22 ARG 669 2HH2 ARG 669 -24.576 -12.151 -7.038 710 H SER 670 H SER 670 -20.211 -9.082 -1.962 711 HA SER 670 HA SER 670 -22.287 -10.580 -0.538 712 HB2 SER 670 1HB SER 670 -20.030 -10.295 0.511 713 HB3 SER 670 2HB SER 670 -20.306 -8.556 0.545 714 HG SER 670 HG SER 670 -22.375 -9.337 1.718 715 H ARG 671 H ARG 671 -21.926 -7.843 -2.344 716 HA ARG 671 HA ARG 671 -23.428 -5.908 -0.998 717 HB2 ARG 671 1HB ARG 671 -21.982 -5.854 -3.221 718 HB3 ARG 671 2HB ARG 671 -23.544 -6.124 -3.976 719 HG2 ARG 671 1HG ARG 671 -23.053 -3.870 -2.055 720 HG3 ARG 671 2HG ARG 671 -22.744 -3.728 -3.783 721 HD2 ARG 671 1HD ARG 671 -25.117 -4.328 -4.202 722 HD3 ARG 671 2HD ARG 671 -25.390 -4.320 -2.458 723 HE ARG 671 HE ARG 671 -24.225 -1.891 -3.464 724 HH11 ARG 671 1HH1 ARG 671 -27.253 -3.577 -2.901 725 HH12 ARG 671 2HH1 ARG 671 -28.177 -2.108 -2.792 726 HH21 ARG 671 1HH2 ARG 671 -25.442 0.018 -3.340 727 HH22 ARG 671 2HH2 ARG 671 -27.149 -0.068 -3.033 728 H LEU 672 H LEU 672 -25.548 -5.628 -0.724 729 HA LEU 672 HA LEU 672 -27.355 -7.571 -2.003 730 HB2 LEU 672 1HB LEU 672 -27.519 -6.419 0.795 731 HB3 LEU 672 2HB LEU 672 -28.716 -7.483 0.084 732 HG LEU 672 HG LEU 672 -25.845 -8.225 0.674 733 HD11 LEU 672 1HD1 LEU 672 -26.805 -9.623 2.437 734 HD12 LEU 672 2HD1 LEU 672 -28.405 -8.974 2.077 735 HD13 LEU 672 3HD1 LEU 672 -27.145 -7.913 2.704 736 HD21 LEU 672 3HD2 LEU 672 -26.694 -9.458 -1.226 737 HD22 LEU 672 1HD2 LEU 672 -28.159 -9.873 -0.337 738 HD23 LEU 672 2HD2 LEU 672 -26.601 -10.516 0.180 739 H1 ASP 840 1H ASP 840 4.564 -10.850 7.355 740 HA ASP 840 HA ASP 840 5.389 -8.137 6.707 741 HB2 ASP 840 1HB ASP 840 3.465 -9.872 5.117 742 HB3 ASP 840 2HB ASP 840 4.414 -8.500 4.531 743 H ALA 841 H ALA 841 4.356 -6.670 7.954 744 HA ALA 841 HA ALA 841 1.690 -7.142 8.918 745 HB1 ALA 841 3HB ALA 841 3.341 -6.043 10.321 746 HB2 ALA 841 1HB ALA 841 1.951 -4.993 10.059 747 HB3 ALA 841 2HB ALA 841 3.449 -4.711 9.173 748 H GLY 842 H GLY 842 -0.195 -6.309 8.245 749 HA2 GLY 842 1HA GLY 842 -1.631 -4.806 7.219 750 HA3 GLY 842 2HA GLY 842 -0.251 -4.018 6.461 751 H ASN 843 H ASN 843 -2.206 -6.937 6.415 752 HA ASN 843 HA ASN 843 -1.431 -7.368 3.615 753 HB2 ASN 843 1HB ASN 843 -2.795 -9.256 5.547 754 HB3 ASN 843 2HB ASN 843 -2.319 -9.651 3.898 755 HD21 ASN 843 1HD2 ASN 843 0.190 -8.143 4.091 756 HD22 ASN 843 2HD2 ASN 843 1.239 -9.086 5.085 757 H ILE 844 H ILE 844 -4.355 -8.045 5.497 758 HA ILE 844 HA ILE 844 -5.963 -7.213 3.186 759 HB ILE 844 HB ILE 844 -7.080 -8.484 5.698 760 HG12 ILE 844 1HG1 ILE 844 -6.003 -9.861 3.217 761 HG13 ILE 844 2HG1 ILE 844 -5.340 -9.989 4.842 762 HG21 ILE 844 1HG2 ILE 844 -8.053 -8.371 2.842 763 HG22 ILE 844 2HG2 ILE 844 -8.674 -7.417 4.190 764 HG23 ILE 844 3HG2 ILE 844 -8.879 -9.170 4.181 765 HD11 ILE 844 3HD1 ILE 844 -8.044 -10.970 3.955 766 HD12 ILE 844 1HD1 ILE 844 -7.383 -11.109 5.584 767 HD13 ILE 844 2HD1 ILE 844 -6.617 -11.966 4.244 768 H LEU 845 H LEU 845 -7.645 -5.664 3.391 769 HA LEU 845 HA LEU 845 -6.889 -3.517 5.141 770 HB2 LEU 845 1HB LEU 845 -9.046 -3.817 3.066 771 HB3 LEU 845 2HB LEU 845 -8.766 -2.337 3.967 772 HG LEU 845 HG LEU 845 -6.402 -3.460 2.605 773 HD11 LEU 845 1HD1 LEU 845 -8.663 -2.202 1.065 774 HD12 LEU 845 2HD1 LEU 845 -8.159 -3.891 0.970 775 HD13 LEU 845 3HD1 LEU 845 -7.067 -2.614 0.431 776 HD21 LEU 845 3HD2 LEU 845 -6.015 -1.103 2.142 777 HD22 LEU 845 1HD2 LEU 845 -6.358 -1.358 3.853 778 HD23 LEU 845 2HD2 LEU 845 -7.605 -0.702 2.791 779 HA PRO 846 HA PRO 846 -9.775 -4.535 8.335 780 HB2 PRO 846 1HB PRO 846 -9.420 -2.319 9.841 781 HB3 PRO 846 2HB PRO 846 -8.230 -3.623 9.769 782 HG2 PRO 846 1HG PRO 846 -8.250 -0.993 8.351 783 HG3 PRO 846 2HG PRO 846 -6.897 -1.843 9.117 784 HD2 PRO 846 1HD PRO 846 -7.351 -1.857 6.429 785 HD3 PRO 846 2HD PRO 846 -6.542 -3.180 7.289 786 H SER 847 H SER 847 -11.567 -3.331 9.548 787 HA SER 847 HA SER 847 -13.559 -3.010 7.659 788 HB2 SER 847 1HB SER 847 -13.622 -2.085 10.533 789 HB3 SER 847 2HB SER 847 -15.012 -2.494 9.528 790 HG SER 847 HG SER 847 -14.174 -4.630 9.399 791 H ASP 848 H ASP 848 -11.985 -0.433 9.587 792 HA ASP 848 HA ASP 848 -13.828 1.557 8.802 793 HB2 ASP 848 1HB ASP 848 -12.268 1.615 10.815 794 HB3 ASP 848 2HB ASP 848 -11.013 2.141 9.697 795 H ILE 849 H ILE 849 -10.654 0.675 7.510 796 HA ILE 849 HA ILE 849 -10.426 2.832 5.703 797 HB ILE 849 HB ILE 849 -9.287 0.066 5.237 798 HG12 ILE 849 1HG1 ILE 849 -8.734 0.771 7.522 799 HG13 ILE 849 2HG1 ILE 849 -7.304 0.811 6.500 800 HG21 ILE 849 1HG2 ILE 849 -7.504 1.315 4.083 801 HG22 ILE 849 2HG2 ILE 849 -8.349 2.826 4.425 802 HG23 ILE 849 3HG2 ILE 849 -9.087 1.625 3.364 803 HD11 ILE 849 3HD1 ILE 849 -7.512 3.236 6.310 804 HD12 ILE 849 1HD1 ILE 849 -7.383 2.723 7.991 805 HD13 ILE 849 2HD1 ILE 849 -8.950 3.194 7.333 806 H MET 850 H MET 850 -11.781 -0.411 5.401 807 HA MET 850 HA MET 850 -12.571 -0.224 2.707 808 HB2 MET 850 1HB MET 850 -13.734 -1.853 4.975 809 HB3 MET 850 2HB MET 850 -14.171 -2.070 3.288 810 HG2 MET 850 1HG MET 850 -11.314 -2.272 4.137 811 HG3 MET 850 2HG MET 850 -12.413 -3.620 4.406 812 HE1 MET 850 3HE MET 850 -10.669 -1.305 1.940 813 HE2 MET 850 1HE MET 850 -12.196 -1.163 1.069 814 HE3 MET 850 2HE MET 850 -10.862 -2.075 0.363 815 H ASP 851 H ASP 851 -14.141 0.678 5.723 816 HA ASP 851 HA ASP 851 -16.707 1.205 4.787 817 HB2 ASP 851 1HB ASP 851 -15.087 2.331 7.071 818 HB3 ASP 851 2HB ASP 851 -16.660 3.027 6.678 819 H PHE 852 H PHE 852 -13.827 3.261 4.706 820 HA PHE 852 HA PHE 852 -15.159 5.622 3.948 821 HB2 PHE 852 1HB PHE 852 -12.816 5.519 4.820 822 HB3 PHE 852 2HB PHE 852 -12.310 4.865 3.267 823 HD1 PHE 852 HD1 PHE 852 -14.606 7.656 4.195 824 HD2 PHE 852 HD2 PHE 852 -11.069 6.465 2.148 825 HE1 PHE 852 HE1 PHE 852 -14.332 9.945 3.344 826 HE2 PHE 852 HE2 PHE 852 -10.792 8.756 1.292 827 HZ PHE 852 HZ PHE 852 -12.422 10.498 1.892 828 H VAL 853 H VAL 853 -13.508 3.154 1.944 829 HA VAL 853 HA VAL 853 -14.169 4.442 -0.487 830 HB VAL 853 HB VAL 853 -12.300 2.880 -0.403 831 HG11 VAL 853 1HG1 VAL 853 -14.356 0.697 -0.133 832 HG12 VAL 853 2HG1 VAL 853 -13.209 1.196 1.108 833 HG13 VAL 853 3HG1 VAL 853 -12.625 0.473 -0.391 834 HG21 VAL 853 3HG2 VAL 853 -12.743 1.695 -2.498 835 HG22 VAL 853 1HG2 VAL 853 -13.334 3.356 -2.547 836 HG23 VAL 853 2HG2 VAL 853 -14.466 2.024 -2.315 837 H LEU 854 H LEU 854 -15.795 1.911 1.374 838 HA LEU 854 HA LEU 854 -17.812 1.348 -0.516 839 HB2 LEU 854 1HB LEU 854 -17.532 0.962 2.426 840 HB3 LEU 854 2HB LEU 854 -19.128 0.806 1.730 841 HG LEU 854 HG LEU 854 -17.890 -1.349 2.060 842 HD11 LEU 854 1HD1 LEU 854 -19.763 -1.161 0.474 843 HD12 LEU 854 2HD1 LEU 854 -18.557 -2.339 -0.033 844 HD13 LEU 854 3HD1 LEU 854 -18.620 -0.761 -0.809 845 HD21 LEU 854 3HD2 LEU 854 -15.663 -0.551 1.439 846 HD22 LEU 854 1HD2 LEU 854 -16.204 -0.355 -0.227 847 HD23 LEU 854 2HD2 LEU 854 -16.145 -1.962 0.498 848 H LYS 855 H LYS 855 -17.577 3.803 2.016 849 HA LYS 855 HA LYS 855 -20.327 4.627 1.593 850 HB2 LYS 855 1HB LYS 855 -19.405 4.692 3.858 851 HB3 LYS 855 2HB LYS 855 -18.181 5.844 3.342 852 HG2 LYS 855 1HG LYS 855 -20.053 6.909 4.564 853 HG3 LYS 855 2HG LYS 855 -19.866 7.517 2.915 854 HD2 LYS 855 1HD LYS 855 -21.688 6.097 2.161 855 HD3 LYS 855 2HD LYS 855 -21.848 5.413 3.779 856 HE2 LYS 855 1HE LYS 855 -23.542 7.120 3.357 857 HE3 LYS 855 2HE LYS 855 -22.454 7.601 4.657 858 HZ1 LYS 855 3HZ LYS 855 -22.927 9.412 3.109 859 HZ2 LYS 855 1HZ LYS 855 -22.248 8.524 1.841 860 HZ3 LYS 855 2HZ LYS 855 -21.282 9.029 3.133 861 H ASN 856 H ASN 856 -17.107 6.053 1.014 862 HA ASN 856 HA ASN 856 -18.382 8.347 -0.278 863 HB2 ASN 856 1HB ASN 856 -16.546 8.761 1.312 864 HB3 ASN 856 2HB ASN 856 -15.466 7.786 0.320 865 HD21 ASN 856 1HD2 ASN 856 -14.043 9.418 -0.113 866 HD22 ASN 856 2HD2 ASN 856 -14.431 10.775 -1.111 867 H THR 857 H THR 857 -18.525 8.559 -2.407 868 HA THR 857 HA THR 857 -16.672 7.170 -4.157 869 HB THR 857 HB THR 857 -19.662 6.795 -4.433 870 HG1 THR 857 HG1 THR 857 -17.840 5.491 -2.947 871 HG21 THR 857 1HG2 THR 857 -17.351 5.631 -6.002 872 HG22 THR 857 2HG2 THR 857 -18.494 6.840 -6.585 873 HG23 THR 857 3HG2 THR 857 -19.051 5.209 -6.211 874 HA PRO 858 HA PRO 858 -17.332 11.324 -5.810 875 HB2 PRO 858 1HB PRO 858 -14.955 10.731 -7.393 876 HB3 PRO 858 2HB PRO 858 -15.192 11.972 -6.163 877 HG2 PRO 858 1HG PRO 858 -13.592 9.827 -5.778 878 HG3 PRO 858 2HG PRO 858 -14.488 10.602 -4.460 879 HD2 PRO 858 1HD PRO 858 -15.130 8.101 -5.974 880 HD3 PRO 858 2HD PRO 858 -15.267 8.436 -4.235 Start of MODEL 20 1 H1 GLY 586 1H GLY 586 29.782 -0.335 -2.316 2 HA2 GLY 586 1HA GLY 586 32.140 0.308 -0.785 3 HA3 GLY 586 2HA GLY 586 31.030 1.453 -1.515 4 H VAL 587 H VAL 587 31.698 2.377 0.623 5 HA VAL 587 HA VAL 587 31.534 2.776 2.876 6 HB VAL 587 HB VAL 587 29.297 3.426 3.576 7 HG11 VAL 587 1HG1 VAL 587 30.539 4.912 2.118 8 HG12 VAL 587 2HG1 VAL 587 28.811 5.018 1.783 9 HG13 VAL 587 3HG1 VAL 587 29.867 4.110 0.700 10 HG21 VAL 587 3HG2 VAL 587 28.293 2.160 1.032 11 HG22 VAL 587 1HG2 VAL 587 27.336 3.087 2.185 12 HG23 VAL 587 2HG2 VAL 587 28.015 1.528 2.652 13 H ARG 588 H ARG 588 29.852 2.120 4.935 14 HA ARG 588 HA ARG 588 30.106 -0.812 5.057 15 HB2 ARG 588 1HB ARG 588 30.268 -0.634 7.471 16 HB3 ARG 588 2HB ARG 588 31.456 0.420 6.728 17 HG2 ARG 588 1HG ARG 588 30.656 1.715 8.452 18 HG3 ARG 588 2HG ARG 588 29.690 2.273 7.091 19 HD2 ARG 588 1HD ARG 588 28.299 1.963 9.063 20 HD3 ARG 588 2HD ARG 588 27.851 0.813 7.802 21 HE ARG 588 HE ARG 588 29.764 -0.240 9.663 22 HH11 ARG 588 1HH1 ARG 588 26.342 0.307 9.123 23 HH12 ARG 588 2HH1 ARG 588 25.846 -0.973 10.180 24 HH21 ARG 588 1HH2 ARG 588 29.109 -1.923 11.043 25 HH22 ARG 588 2HH2 ARG 588 27.420 -2.250 11.265 26 H LYS 589 H LYS 589 27.893 1.663 4.774 27 HA LYS 589 HA LYS 589 25.726 -0.044 5.803 28 HB2 LYS 589 1HB LYS 589 25.635 1.974 7.011 29 HB3 LYS 589 2HB LYS 589 25.971 2.948 5.585 30 HG2 LYS 589 1HG LYS 589 23.473 1.405 5.475 31 HG3 LYS 589 2HG LYS 589 23.536 2.633 6.740 32 HD2 LYS 589 1HD LYS 589 24.208 4.294 5.015 33 HD3 LYS 589 2HD LYS 589 23.985 3.053 3.784 34 HE2 LYS 589 1HE LYS 589 22.015 4.413 3.846 35 HE3 LYS 589 2HE LYS 589 21.619 2.834 4.523 36 HZ1 LYS 589 3HZ LYS 589 20.677 4.596 5.856 37 HZ2 LYS 589 1HZ LYS 589 22.197 5.302 6.072 38 HZ3 LYS 589 2HZ LYS 589 21.866 3.790 6.744 39 H GLY 590 H GLY 590 25.441 -1.292 4.024 40 HA2 GLY 590 1HA GLY 590 23.949 -0.052 1.909 41 HA3 GLY 590 2HA GLY 590 25.439 -0.834 1.416 42 H TRP 591 H TRP 591 22.630 -1.547 3.486 43 HA TRP 591 HA TRP 591 22.731 -4.342 2.714 44 HB2 TRP 591 1HB TRP 591 20.263 -3.659 4.011 45 HB3 TRP 591 2HB TRP 591 21.557 -4.686 4.605 46 HD1 TRP 591 HD1 TRP 591 23.051 -3.727 6.539 47 HE1 TRP 591 HE1 TRP 591 22.930 -1.583 7.973 48 HE3 TRP 591 HE3 TRP 591 19.673 -1.077 3.768 49 HZ2 TRP 591 HZ2 TRP 591 21.616 0.918 7.896 50 HZ3 TRP 591 HZ3 TRP 591 19.045 1.179 4.508 51 HH2 TRP 591 HH2 TRP 591 19.997 2.155 6.532 52 H HIS 592 H HIS 592 20.479 -1.623 2.416 53 HA HIS 592 HA HIS 592 18.933 -3.107 0.424 54 HB2 HIS 592 1HB HIS 592 18.274 -0.808 2.233 55 HB3 HIS 592 2HB HIS 592 17.329 -1.085 0.774 56 HD1 HIS 592 HD1 HIS 592 17.632 -2.152 4.255 57 HD2 HIS 592 HD2 HIS 592 16.036 -3.691 0.737 58 HE1 HIS 592 HE1 HIS 592 16.092 -3.996 4.961 59 HE2 HIS 592 HE2 HIS 592 14.965 -4.739 2.845 60 H GLU 593 H GLU 593 21.547 -1.353 0.267 61 HA GLU 593 HA GLU 593 21.048 1.046 -0.959 62 HB2 GLU 593 1HB GLU 593 23.370 0.889 -1.817 63 HB3 GLU 593 2HB GLU 593 23.199 0.547 -0.107 64 HG2 GLU 593 1HG GLU 593 24.762 -0.994 -0.906 65 HG3 GLU 593 2HG GLU 593 23.273 -1.904 -0.708 66 H HIS 594 H HIS 594 20.952 -2.119 -2.466 67 HA HIS 594 HA HIS 594 20.855 -0.996 -5.117 68 HB2 HIS 594 1HB HIS 594 20.213 -3.409 -5.751 69 HB3 HIS 594 2HB HIS 594 21.829 -3.123 -5.105 70 HD1 HIS 594 HD1 HIS 594 22.376 -4.081 -2.784 71 HD2 HIS 594 HD2 HIS 594 18.539 -4.974 -4.126 72 HE1 HIS 594 HE1 HIS 594 21.523 -5.892 -1.255 73 HE2 HIS 594 HE2 HIS 594 19.298 -6.559 -2.224 74 H VAL 595 H VAL 595 18.863 -0.187 -3.104 75 HA VAL 595 HA VAL 595 16.603 -0.399 -4.963 76 HB VAL 595 HB VAL 595 16.440 -0.382 -1.947 77 HG11 VAL 595 1HG1 VAL 595 13.955 -0.498 -2.318 78 HG12 VAL 595 2HG1 VAL 595 14.256 -0.060 -4.003 79 HG13 VAL 595 3HG1 VAL 595 14.703 1.049 -2.709 80 HG21 VAL 595 3HG2 VAL 595 16.887 -2.586 -2.903 81 HG22 VAL 595 1HG2 VAL 595 15.460 -2.426 -3.929 82 HG23 VAL 595 2HG2 VAL 595 15.281 -2.506 -2.174 83 H THR 596 H THR 596 15.877 1.591 -5.588 84 HA THR 596 HA THR 596 17.080 3.915 -4.336 85 HB THR 596 HB THR 596 17.183 3.936 -6.714 86 HG1 THR 596 HG1 THR 596 16.542 5.954 -6.900 87 HG21 THR 596 1HG2 THR 596 14.192 3.552 -6.737 88 HG22 THR 596 2HG2 THR 596 15.395 2.351 -7.200 89 HG23 THR 596 3HG2 THR 596 15.204 3.821 -8.154 90 H GLN 597 H GLN 597 15.801 5.793 -3.764 91 HA GLN 597 HA GLN 597 13.658 5.130 -2.039 92 HB2 GLN 597 1HB GLN 597 15.122 7.029 -1.582 93 HB3 GLN 597 2HB GLN 597 14.589 7.824 -3.057 94 HG2 GLN 597 1HG GLN 597 13.550 8.744 -1.026 95 HG3 GLN 597 2HG GLN 597 12.378 8.105 -2.174 96 HE21 GLN 597 1HE2 GLN 597 10.820 7.839 -0.616 97 HE22 GLN 597 2HE2 GLN 597 10.891 6.606 0.582 98 H ASP 598 H ASP 598 13.860 6.494 -5.250 99 HA ASP 598 HA ASP 598 11.199 7.231 -5.656 100 HB2 ASP 598 1HB ASP 598 12.960 7.774 -7.275 101 HB3 ASP 598 2HB ASP 598 13.111 6.071 -7.695 102 H LEU 599 H LEU 599 12.764 4.082 -5.959 103 HA LEU 599 HA LEU 599 10.647 2.637 -7.018 104 HB2 LEU 599 1HB LEU 599 13.069 1.897 -6.588 105 HB3 LEU 599 2HB LEU 599 12.551 1.520 -4.954 106 HG LEU 599 HG LEU 599 10.863 -0.041 -5.887 107 HD11 LEU 599 1HD1 LEU 599 10.501 0.960 -8.029 108 HD12 LEU 599 2HD1 LEU 599 11.108 -0.675 -8.272 109 HD13 LEU 599 3HD1 LEU 599 12.183 0.707 -8.484 110 HD21 LEU 599 3HD2 LEU 599 12.497 -1.749 -6.671 111 HD22 LEU 599 1HD2 LEU 599 12.965 -0.956 -5.168 112 HD23 LEU 599 2HD2 LEU 599 13.736 -0.495 -6.684 113 H ARG 600 H ARG 600 11.477 3.245 -3.613 114 HA ARG 600 HA ARG 600 9.326 1.758 -2.544 115 HB2 ARG 600 1HB ARG 600 10.886 4.026 -1.295 116 HB3 ARG 600 2HB ARG 600 9.785 2.963 -0.431 117 HG2 ARG 600 1HG ARG 600 11.291 1.062 -1.326 118 HG3 ARG 600 2HG ARG 600 12.465 2.352 -1.602 119 HD2 ARG 600 1HD ARG 600 11.152 1.659 1.024 120 HD3 ARG 600 2HD ARG 600 12.818 1.311 0.569 121 HE ARG 600 HE ARG 600 12.719 3.980 0.306 122 HH11 ARG 600 1HH1 ARG 600 11.640 1.878 2.890 123 HH12 ARG 600 2HH1 ARG 600 11.946 3.040 4.138 124 HH21 ARG 600 1HH2 ARG 600 13.118 5.513 1.937 125 HH22 ARG 600 2HH2 ARG 600 12.777 5.120 3.594 126 H SER 601 H SER 601 9.694 5.219 -3.238 127 HA SER 601 HA SER 601 7.274 6.004 -2.032 128 HB2 SER 601 1HB SER 601 7.570 8.092 -3.435 129 HB3 SER 601 2HB SER 601 8.935 7.672 -2.402 130 HG SER 601 HG SER 601 10.101 7.619 -4.131 131 H HIS 602 H HIS 602 8.064 5.060 -5.345 132 HA HIS 602 HA HIS 602 5.568 5.707 -6.461 133 HB2 HIS 602 1HB HIS 602 7.937 4.215 -7.336 134 HB3 HIS 602 2HB HIS 602 6.426 3.608 -8.015 135 HD1 HIS 602 HD1 HIS 602 8.972 6.096 -8.553 136 HD2 HIS 602 HD2 HIS 602 4.886 5.816 -9.281 137 HE1 HIS 602 HE1 HIS 602 8.460 7.871 -10.256 138 HE2 HIS 602 HE2 HIS 602 5.968 7.774 -10.576 139 H LEU 603 H LEU 603 6.725 2.796 -4.846 140 HA LEU 603 HA LEU 603 4.537 1.148 -5.489 141 HB2 LEU 603 1HB LEU 603 6.461 1.004 -3.171 142 HB3 LEU 603 2HB LEU 603 5.354 -0.271 -3.645 143 HG LEU 603 HG LEU 603 7.432 0.810 -5.536 144 HD11 LEU 603 1HD1 LEU 603 8.605 -0.006 -3.576 145 HD12 LEU 603 2HD1 LEU 603 8.834 -1.096 -4.944 146 HD13 LEU 603 3HD1 LEU 603 7.713 -1.524 -3.655 147 HD21 LEU 603 3HD2 LEU 603 5.871 -1.769 -5.446 148 HD22 LEU 603 1HD2 LEU 603 7.100 -1.355 -6.641 149 HD23 LEU 603 2HD2 LEU 603 5.606 -0.424 -6.554 150 H VAL 604 H VAL 604 5.088 3.428 -2.863 151 HA VAL 604 HA VAL 604 2.976 2.541 -1.188 152 HB VAL 604 HB VAL 604 4.289 5.260 -1.377 153 HG11 VAL 604 1HG1 VAL 604 2.068 5.496 -0.426 154 HG12 VAL 604 2HG1 VAL 604 3.287 5.688 0.831 155 HG13 VAL 604 3HG1 VAL 604 2.388 4.180 0.700 156 HG21 VAL 604 3HG2 VAL 604 4.612 3.078 0.668 157 HG22 VAL 604 1HG2 VAL 604 5.502 4.596 0.592 158 HG23 VAL 604 2HG2 VAL 604 5.736 3.376 -0.663 159 H HIS 605 H HIS 605 3.186 5.063 -3.667 160 HA HIS 605 HA HIS 605 0.549 6.021 -3.364 161 HB2 HIS 605 1HB HIS 605 2.418 6.141 -5.729 162 HB3 HIS 605 2HB HIS 605 0.834 6.907 -5.724 163 HD1 HIS 605 HD1 HIS 605 0.626 9.143 -4.577 164 HD2 HIS 605 HD2 HIS 605 4.283 7.301 -3.860 165 HE1 HIS 605 HE1 HIS 605 2.046 10.876 -3.441 166 HE2 HIS 605 HE2 HIS 605 4.199 9.696 -2.886 167 H LYS 606 H LYS 606 1.910 3.441 -5.353 168 HA LYS 606 HA LYS 606 -0.399 2.824 -6.821 169 HB2 LYS 606 1HB LYS 606 1.870 1.062 -5.898 170 HB3 LYS 606 2HB LYS 606 0.607 0.523 -6.997 171 HG2 LYS 606 1HG LYS 606 1.256 2.327 -8.557 172 HG3 LYS 606 2HG LYS 606 2.585 2.738 -7.473 173 HD2 LYS 606 1HD LYS 606 3.593 0.586 -7.794 174 HD3 LYS 606 2HD LYS 606 2.195 0.018 -8.711 175 HE2 LYS 606 1HE LYS 606 4.099 2.213 -9.518 176 HE3 LYS 606 2HE LYS 606 4.014 0.594 -10.211 177 HZ1 LYS 606 3HZ LYS 606 2.864 2.114 -11.633 178 HZ2 LYS 606 1HZ LYS 606 1.925 2.697 -10.354 179 HZ3 LYS 606 2HZ LYS 606 1.714 1.113 -10.905 180 H LEU 607 H LEU 607 0.684 1.746 -3.630 181 HA LEU 607 HA LEU 607 -1.438 -0.064 -3.173 182 HB2 LEU 607 1HB LEU 607 0.765 0.152 -1.908 183 HB3 LEU 607 2HB LEU 607 0.026 1.487 -1.046 184 HG LEU 607 HG LEU 607 -1.326 -1.190 -1.079 185 HD11 LEU 607 1HD1 LEU 607 0.877 -0.357 0.800 186 HD12 LEU 607 2HD1 LEU 607 0.994 -1.613 -0.432 187 HD13 LEU 607 3HD1 LEU 607 -0.109 -1.814 0.928 188 HD21 LEU 607 3HD2 LEU 607 -1.200 1.039 0.949 189 HD22 LEU 607 1HD2 LEU 607 -2.149 -0.440 1.090 190 HD23 LEU 607 2HD2 LEU 607 -2.530 0.738 -0.168 191 H VAL 608 H VAL 608 -1.022 3.385 -2.459 192 HA VAL 608 HA VAL 608 -3.499 3.814 -1.193 193 HB VAL 608 HB VAL 608 -1.821 5.688 -2.874 194 HG11 VAL 608 1HG1 VAL 608 -4.140 6.469 -2.800 195 HG12 VAL 608 2HG1 VAL 608 -3.076 7.520 -1.866 196 HG13 VAL 608 3HG1 VAL 608 -4.117 6.365 -1.042 197 HG21 VAL 608 3HG2 VAL 608 -2.060 5.306 0.105 198 HG22 VAL 608 1HG2 VAL 608 -1.154 6.600 -0.677 199 HG23 VAL 608 2HG2 VAL 608 -0.666 4.921 -0.904 200 H GLN 609 H GLN 609 -2.526 3.977 -4.588 201 HA GLN 609 HA GLN 609 -4.946 4.734 -5.737 202 HB2 GLN 609 1HB GLN 609 -2.800 4.614 -6.952 203 HB3 GLN 609 2HB GLN 609 -2.864 2.859 -6.874 204 HG2 GLN 609 1HG GLN 609 -4.946 2.906 -8.191 205 HG3 GLN 609 2HG GLN 609 -4.794 4.656 -8.321 206 HE21 GLN 609 1HE2 GLN 609 -1.875 4.533 -8.569 207 HE22 GLN 609 2HE2 GLN 609 -1.559 3.970 -10.170 208 H ALA 610 H ALA 610 -3.780 1.566 -4.742 209 HA ALA 610 HA ALA 610 -5.792 -0.025 -5.861 210 HB1 ALA 610 3HB ALA 610 -4.276 -0.485 -3.295 211 HB2 ALA 610 1HB ALA 610 -3.723 -0.930 -4.909 212 HB3 ALA 610 2HB ALA 610 -5.150 -1.704 -4.223 213 H ILE 611 H ILE 611 -5.673 1.782 -2.814 214 HA ILE 611 HA ILE 611 -8.267 0.786 -2.024 215 HB ILE 611 HB ILE 611 -6.447 2.899 -0.766 216 HG12 ILE 611 1HG1 ILE 611 -7.232 0.376 0.678 217 HG13 ILE 611 2HG1 ILE 611 -6.007 0.290 -0.600 218 HG21 ILE 611 1HG2 ILE 611 -9.059 1.907 0.379 219 HG22 ILE 611 2HG2 ILE 611 -8.780 3.496 -0.341 220 HG23 ILE 611 3HG2 ILE 611 -7.929 3.031 1.131 221 HD11 ILE 611 3HD1 ILE 611 -4.991 0.541 1.574 222 HD12 ILE 611 1HD1 ILE 611 -5.920 2.011 1.865 223 HD13 ILE 611 2HD1 ILE 611 -4.692 1.982 0.601 224 H PHE 612 H PHE 612 -6.942 3.634 -3.603 225 HA PHE 612 HA PHE 612 -9.593 4.629 -4.141 226 HB2 PHE 612 1HB PHE 612 -8.650 5.455 -1.778 227 HB3 PHE 612 2HB PHE 612 -7.826 6.619 -2.801 228 HD1 PHE 612 HD2 PHE 612 -11.243 5.132 -2.789 229 HD2 PHE 612 HD1 PHE 612 -8.871 8.660 -2.775 230 HE1 PHE 612 HE2 PHE 612 -13.286 6.499 -2.842 231 HE2 PHE 612 HE1 PHE 612 -10.913 10.033 -2.824 232 HZ PHE 612 HZ PHE 612 -13.123 8.955 -2.861 233 HA PRO 613 HA PRO 613 -6.640 5.505 -7.459 234 HB2 PRO 613 1HB PRO 613 -8.400 5.311 -9.513 235 HB3 PRO 613 2HB PRO 613 -7.731 3.887 -8.703 236 HG2 PRO 613 1HG PRO 613 -10.426 5.141 -8.444 237 HG3 PRO 613 2HG PRO 613 -9.967 3.433 -8.351 238 HD2 PRO 613 1HD PRO 613 -10.519 5.094 -6.166 239 HD3 PRO 613 2HD PRO 613 -9.630 3.550 -6.106 240 H THR 614 H THR 614 -9.765 7.093 -7.001 241 HA THR 614 HA THR 614 -9.154 9.256 -8.797 242 HB THR 614 HB THR 614 -11.299 10.234 -7.846 243 HG1 THR 614 HG1 THR 614 -11.178 9.042 -5.842 244 HG21 THR 614 1HG2 THR 614 -11.262 8.923 -9.919 245 HG22 THR 614 2HG2 THR 614 -12.729 8.604 -8.996 246 HG23 THR 614 3HG2 THR 614 -11.410 7.433 -8.988 247 HA PRO 615 HA PRO 615 -7.117 11.574 -5.455 248 HB2 PRO 615 1HB PRO 615 -6.115 13.294 -7.572 249 HB3 PRO 615 2HB PRO 615 -5.212 12.187 -6.526 250 HG2 PRO 615 1HG PRO 615 -5.511 11.747 -9.199 251 HG3 PRO 615 2HG PRO 615 -5.351 10.422 -8.019 252 HD2 PRO 615 1HD PRO 615 -7.846 11.570 -9.269 253 HD3 PRO 615 2HD PRO 615 -7.395 9.859 -9.058 254 H ASP 616 H ASP 616 -9.383 12.237 -5.000 255 HA ASP 616 HA ASP 616 -10.540 14.492 -6.328 256 HB2 ASP 616 1HB ASP 616 -11.902 12.804 -5.088 257 HB3 ASP 616 2HB ASP 616 -11.167 13.346 -3.583 258 HA PRO 617 HA PRO 617 -7.949 17.652 -4.687 259 HB2 PRO 617 1HB PRO 617 -9.850 19.715 -4.813 260 HB3 PRO 617 2HB PRO 617 -8.771 19.212 -6.122 261 HG2 PRO 617 1HG PRO 617 -11.621 18.490 -5.620 262 HG3 PRO 617 2HG PRO 617 -10.794 18.812 -7.157 263 HD2 PRO 617 1HD PRO 617 -11.370 16.320 -6.406 264 HD3 PRO 617 2HD PRO 617 -9.842 16.686 -7.248 265 H ALA 618 H ALA 618 -11.108 17.032 -3.272 266 HA ALA 618 HA ALA 618 -10.423 18.593 -0.899 267 HB1 ALA 618 3HB ALA 618 -12.693 18.795 -1.765 268 HB2 ALA 618 1HB ALA 618 -12.699 18.082 -0.153 269 HB3 ALA 618 2HB ALA 618 -12.932 17.061 -1.570 270 H ALA 619 H ALA 619 -11.319 15.280 -1.771 271 HA ALA 619 HA ALA 619 -10.928 14.034 0.663 272 HB1 ALA 619 3HB ALA 619 -10.812 11.977 -0.539 273 HB2 ALA 619 1HB ALA 619 -10.281 12.802 -2.004 274 HB3 ALA 619 2HB ALA 619 -11.922 13.037 -1.407 275 H LEU 620 H LEU 620 -8.563 15.121 -1.647 276 HA LEU 620 HA LEU 620 -6.338 13.625 -0.831 277 HB2 LEU 620 1HB LEU 620 -6.871 15.763 -2.585 278 HB3 LEU 620 2HB LEU 620 -5.606 16.331 -1.513 279 HG LEU 620 HG LEU 620 -4.647 15.381 -3.530 280 HD11 LEU 620 1HD1 LEU 620 -3.126 13.756 -2.540 281 HD12 LEU 620 2HD1 LEU 620 -4.201 13.584 -1.153 282 HD13 LEU 620 3HD1 LEU 620 -3.392 15.122 -1.458 283 HD21 LEU 620 3HD2 LEU 620 -4.908 13.020 -4.081 284 HD22 LEU 620 1HD2 LEU 620 -6.458 13.861 -4.121 285 HD23 LEU 620 2HD2 LEU 620 -6.049 12.830 -2.751 286 H LYS 621 H LYS 621 -7.842 16.472 0.519 287 HA LYS 621 HA LYS 621 -5.719 16.720 2.539 288 HB2 LYS 621 1HB LYS 621 -8.003 18.579 1.810 289 HB3 LYS 621 2HB LYS 621 -6.842 18.877 3.101 290 HG2 LYS 621 1HG LYS 621 -5.029 18.945 1.491 291 HG3 LYS 621 2HG LYS 621 -6.151 18.567 0.186 292 HD2 LYS 621 1HD LYS 621 -5.658 20.950 0.237 293 HD3 LYS 621 2HD LYS 621 -7.354 20.655 0.620 294 HE2 LYS 621 1HE LYS 621 -6.867 20.910 2.998 295 HE3 LYS 621 2HE LYS 621 -5.164 21.172 2.630 296 HZ1 LYS 621 3HZ LYS 621 -7.400 22.906 1.733 297 HZ2 LYS 621 1HZ LYS 621 -5.757 23.171 1.431 298 HZ3 LYS 621 2HZ LYS 621 -6.349 23.250 3.011 299 H ASP 622 H ASP 622 -7.908 14.653 2.433 300 HA ASP 622 HA ASP 622 -9.592 15.375 4.716 301 HB2 ASP 622 1HB ASP 622 -10.821 14.537 2.854 302 HB3 ASP 622 2HB ASP 622 -9.715 13.188 2.651 303 H ARG 623 H ARG 623 -9.331 14.542 6.665 304 HA ARG 623 HA ARG 623 -7.021 13.173 7.425 305 HB2 ARG 623 1HB ARG 623 -9.623 13.660 8.858 306 HB3 ARG 623 2HB ARG 623 -8.271 12.839 9.620 307 HG2 ARG 623 1HG ARG 623 -8.132 15.617 8.459 308 HG3 ARG 623 2HG ARG 623 -8.421 15.255 10.163 309 HD2 ARG 623 1HD ARG 623 -6.273 14.106 10.289 310 HD3 ARG 623 2HD ARG 623 -5.985 14.438 8.583 311 HE ARG 623 HE ARG 623 -6.349 16.905 9.584 312 HH11 ARG 623 1HH1 ARG 623 -4.372 14.233 10.680 313 HH12 ARG 623 2HH1 ARG 623 -3.120 15.256 11.311 314 HH21 ARG 623 1HH2 ARG 623 -4.717 18.248 10.423 315 HH22 ARG 623 2HH2 ARG 623 -3.323 17.541 11.182 316 H ARG 624 H ARG 624 -10.288 11.935 6.826 317 HA ARG 624 HA ARG 624 -9.928 9.315 7.664 318 HB2 ARG 624 1HB ARG 624 -12.108 9.706 7.178 319 HB3 ARG 624 2HB ARG 624 -11.732 10.778 5.841 320 HG2 ARG 624 1HG ARG 624 -11.144 8.698 4.520 321 HG3 ARG 624 2HG ARG 624 -11.888 7.782 5.835 322 HD2 ARG 624 1HD ARG 624 -13.428 8.295 3.932 323 HD3 ARG 624 2HD ARG 624 -13.985 8.874 5.504 324 HE ARG 624 HE ARG 624 -12.466 10.840 4.062 325 HH11 ARG 624 1HH1 ARG 624 -15.670 9.447 4.447 326 HH12 ARG 624 2HH1 ARG 624 -16.489 10.872 3.887 327 HH21 ARG 624 1HH2 ARG 624 -13.546 12.704 3.356 328 HH22 ARG 624 2HH2 ARG 624 -15.280 12.726 3.268 329 H MET 625 H MET 625 -9.316 10.727 4.425 330 HA MET 625 HA MET 625 -8.270 8.396 3.279 331 HB2 MET 625 1HB MET 625 -8.766 10.154 1.774 332 HB3 MET 625 2HB MET 625 -7.749 11.297 2.639 333 HG2 MET 625 1HG MET 625 -5.750 9.985 1.991 334 HG3 MET 625 2HG MET 625 -6.799 8.911 1.066 335 HE1 MET 625 3HE MET 625 -8.869 10.801 -0.323 336 HE2 MET 625 1HE MET 625 -7.979 9.521 -1.146 337 HE3 MET 625 2HE MET 625 -8.036 11.141 -1.839 338 H GLU 626 H GLU 626 -6.763 10.815 5.326 339 HA GLU 626 HA GLU 626 -4.080 10.243 4.898 340 HB2 GLU 626 1HB GLU 626 -4.879 12.168 6.185 341 HB3 GLU 626 2HB GLU 626 -5.450 11.098 7.455 342 HG2 GLU 626 1HG GLU 626 -3.363 12.152 8.070 343 HG3 GLU 626 2HG GLU 626 -3.167 10.409 7.920 344 H ASN 627 H ASN 627 -6.429 8.655 7.008 345 HA ASN 627 HA ASN 627 -4.659 7.008 8.430 346 HB2 ASN 627 1HB ASN 627 -7.562 6.721 7.710 347 HB3 ASN 627 2HB ASN 627 -6.713 5.436 8.558 348 HD21 ASN 627 1HD2 ASN 627 -6.006 8.830 9.039 349 HD22 ASN 627 2HD2 ASN 627 -6.640 8.927 10.642 350 H LEU 628 H LEU 628 -6.275 6.508 5.321 351 HA LEU 628 HA LEU 628 -5.344 3.802 5.047 352 HB2 LEU 628 1HB LEU 628 -6.448 3.737 3.013 353 HB3 LEU 628 2HB LEU 628 -7.384 4.954 3.853 354 HG LEU 628 HG LEU 628 -5.803 6.625 2.564 355 HD11 LEU 628 1HD1 LEU 628 -5.249 5.774 0.327 356 HD12 LEU 628 2HD1 LEU 628 -5.682 4.148 0.854 357 HD13 LEU 628 3HD1 LEU 628 -4.317 4.983 1.598 358 HD21 LEU 628 3HD2 LEU 628 -7.948 5.139 1.072 359 HD22 LEU 628 1HD2 LEU 628 -7.482 6.830 0.898 360 HD23 LEU 628 2HD2 LEU 628 -8.290 6.280 2.369 361 H VAL 629 H VAL 629 -4.180 6.975 4.071 362 HA VAL 629 HA VAL 629 -2.062 6.083 2.403 363 HB VAL 629 HB VAL 629 -2.250 8.642 4.016 364 HG11 VAL 629 1HG1 VAL 629 -0.518 7.942 1.646 365 HG12 VAL 629 2HG1 VAL 629 0.037 8.197 3.303 366 HG13 VAL 629 3HG1 VAL 629 -0.647 9.538 2.383 367 HG21 VAL 629 3HG2 VAL 629 -3.037 8.071 1.160 368 HG22 VAL 629 1HG2 VAL 629 -3.048 9.657 1.931 369 HG23 VAL 629 2HG2 VAL 629 -4.137 8.393 2.500 370 H ALA 630 H ALA 630 -2.315 6.854 5.839 371 HA ALA 630 HA ALA 630 0.331 6.445 6.595 372 HB1 ALA 630 3HB ALA 630 -2.196 5.966 8.173 373 HB2 ALA 630 1HB ALA 630 -1.277 7.464 8.078 374 HB3 ALA 630 2HB ALA 630 -0.572 6.048 8.857 375 H TYR 631 H TYR 631 -2.291 4.100 6.137 376 HA TYR 631 HA TYR 631 -0.868 1.875 7.179 377 HB2 TYR 631 1HB TYR 631 -3.315 1.759 6.857 378 HB3 TYR 631 2HB TYR 631 -3.088 1.854 5.112 379 HD1 TYR 631 HD1 TYR 631 -1.635 -0.159 7.914 380 HD2 TYR 631 HD2 TYR 631 -3.393 -0.174 4.038 381 HE1 TYR 631 HE1 TYR 631 -1.405 -2.605 7.825 382 HE2 TYR 631 HE2 TYR 631 -3.158 -2.613 3.948 383 HH TYR 631 HH TYR 631 -2.419 -4.514 6.656 384 H ALA 632 H ALA 632 -1.019 3.382 4.002 385 HA ALA 632 HA ALA 632 0.341 1.338 2.575 386 HB1 ALA 632 3HB ALA 632 0.638 2.991 0.827 387 HB2 ALA 632 1HB ALA 632 0.236 4.291 1.948 388 HB3 ALA 632 2HB ALA 632 -0.993 3.116 1.482 389 H LYS 633 H LYS 633 1.448 4.352 4.140 390 HA LYS 633 HA LYS 633 4.164 4.187 3.803 391 HB2 LYS 633 1HB LYS 633 2.558 4.980 6.228 392 HB3 LYS 633 2HB LYS 633 4.223 5.423 5.944 393 HG2 LYS 633 1HG LYS 633 1.797 6.298 4.392 394 HG3 LYS 633 2HG LYS 633 2.807 7.292 5.444 395 HD2 LYS 633 1HD LYS 633 4.699 6.954 3.903 396 HD3 LYS 633 2HD LYS 633 3.647 5.987 2.866 397 HE2 LYS 633 1HE LYS 633 2.725 8.716 3.561 398 HE3 LYS 633 2HE LYS 633 4.082 8.580 2.437 399 HZ1 LYS 633 3HZ LYS 633 2.768 7.313 0.957 400 HZ2 LYS 633 1HZ LYS 633 1.846 8.660 1.391 401 HZ3 LYS 633 2HZ LYS 633 1.511 7.151 2.077 402 H LYS 634 H LYS 634 2.195 2.891 6.413 403 HA LYS 634 HA LYS 634 4.145 1.612 7.904 404 HB2 LYS 634 1HB LYS 634 1.845 1.910 8.684 405 HB3 LYS 634 2HB LYS 634 1.271 0.773 7.475 406 HG2 LYS 634 1HG LYS 634 1.387 -0.221 9.708 407 HG3 LYS 634 2HG LYS 634 2.449 -1.036 8.563 408 HD2 LYS 634 1HD LYS 634 3.512 -0.699 10.760 409 HD3 LYS 634 2HD LYS 634 4.372 0.130 9.465 410 HE2 LYS 634 1HE LYS 634 3.361 2.236 10.100 411 HE3 LYS 634 2HE LYS 634 2.394 1.430 11.334 412 HZ1 LYS 634 3HZ LYS 634 4.399 2.562 12.197 413 HZ2 LYS 634 1HZ LYS 634 5.361 1.481 11.322 414 HZ3 LYS 634 2HZ LYS 634 4.356 0.911 12.559 415 H VAL 635 H VAL 635 2.248 0.342 5.192 416 HA VAL 635 HA VAL 635 3.286 -2.225 5.092 417 HB VAL 635 HB VAL 635 2.284 -0.412 2.912 418 HG11 VAL 635 1HG1 VAL 635 3.992 -1.835 1.891 419 HG12 VAL 635 2HG1 VAL 635 2.374 -2.304 1.363 420 HG13 VAL 635 3HG1 VAL 635 3.217 -3.263 2.578 421 HG21 VAL 635 3HG2 VAL 635 0.644 -1.342 4.457 422 HG22 VAL 635 1HG2 VAL 635 1.251 -2.965 4.139 423 HG23 VAL 635 2HG2 VAL 635 0.458 -2.054 2.857 424 H GLU 636 H GLU 636 4.581 0.715 3.537 425 HA GLU 636 HA GLU 636 6.786 -0.435 2.298 426 HB2 GLU 636 1HB GLU 636 6.492 1.748 1.635 427 HB3 GLU 636 2HB GLU 636 6.024 2.285 3.240 428 HG2 GLU 636 1HG GLU 636 8.389 2.149 3.933 429 HG3 GLU 636 2HG GLU 636 8.818 1.732 2.274 430 H GLY 637 H GLY 637 6.468 0.901 5.576 431 HA2 GLY 637 1HA GLY 637 9.134 0.468 6.371 432 HA3 GLY 637 2HA GLY 637 7.764 0.610 7.462 433 H ASP 638 H ASP 638 6.256 -1.574 6.850 434 HA ASP 638 HA ASP 638 7.600 -3.623 8.245 435 HB2 ASP 638 1HB ASP 638 5.134 -3.319 8.234 436 HB3 ASP 638 2HB ASP 638 5.098 -3.872 6.560 437 H MET 639 H MET 639 6.775 -3.264 4.820 438 HA MET 639 HA MET 639 7.825 -5.756 3.983 439 HB2 MET 639 1HB MET 639 7.594 -3.211 2.335 440 HB3 MET 639 2HB MET 639 7.868 -4.828 1.698 441 HG2 MET 639 1HG MET 639 5.395 -3.892 3.150 442 HG3 MET 639 2HG MET 639 5.535 -4.116 1.401 443 HE1 MET 639 3HE MET 639 3.556 -5.752 1.132 444 HE2 MET 639 1HE MET 639 3.167 -5.409 2.820 445 HE3 MET 639 2HE MET 639 3.217 -7.078 2.247 446 H TYR 640 H TYR 640 9.234 -2.609 4.456 447 HA TYR 640 HA TYR 640 11.583 -2.796 3.070 448 HB2 TYR 640 1HB TYR 640 10.749 -0.815 4.453 449 HB3 TYR 640 2HB TYR 640 11.504 -1.590 5.839 450 HD1 TYR 640 HD2 TYR 640 12.793 -1.402 2.352 451 HD2 TYR 640 HD1 TYR 640 13.228 -0.065 6.374 452 HE1 TYR 640 HE2 TYR 640 14.912 -0.327 1.769 453 HE2 TYR 640 HE1 TYR 640 15.348 1.016 5.784 454 HH TYR 640 HH TYR 640 17.052 0.963 4.160 455 H GLU 641 H GLU 641 10.909 -4.301 6.211 456 HA GLU 641 HA GLU 641 13.607 -5.197 6.629 457 HB2 GLU 641 1HB GLU 641 10.978 -5.847 7.860 458 HB3 GLU 641 2HB GLU 641 12.282 -7.029 8.068 459 HG2 GLU 641 1HG GLU 641 12.306 -5.532 9.986 460 HG3 GLU 641 2HG GLU 641 13.709 -5.119 8.988 461 H SER 642 H SER 642 10.706 -6.761 5.388 462 HA SER 642 HA SER 642 11.866 -9.241 4.727 463 HB2 SER 642 1HB SER 642 9.383 -8.565 4.972 464 HB3 SER 642 2HB SER 642 9.503 -8.053 3.292 465 HG SER 642 HG SER 642 10.445 -10.349 3.064 466 H ALA 643 H ALA 643 11.421 -6.277 2.930 467 HA ALA 643 HA ALA 643 12.033 -6.924 0.347 468 HB1 ALA 643 3HB ALA 643 12.816 -4.402 1.770 469 HB2 ALA 643 1HB ALA 643 11.210 -4.763 1.140 470 HB3 ALA 643 2HB ALA 643 12.577 -4.607 0.035 471 H ASN 644 H ASN 644 14.040 -8.214 2.225 472 HA ASN 644 HA ASN 644 16.529 -6.880 1.562 473 HB2 ASN 644 1HB ASN 644 16.047 -8.002 3.794 474 HB3 ASN 644 2HB ASN 644 16.253 -9.554 3.000 475 HD21 ASN 644 1HD2 ASN 644 18.533 -9.951 2.019 476 HD22 ASN 644 2HD2 ASN 644 19.878 -9.137 2.753 477 H SER 645 H SER 645 14.588 -8.317 -0.403 478 HA SER 645 HA SER 645 16.738 -9.035 -2.142 479 HB2 SER 645 1HB SER 645 15.754 -11.270 -2.746 480 HB3 SER 645 2HB SER 645 16.478 -11.209 -1.141 481 HG SER 645 HG SER 645 14.553 -11.394 -0.236 482 H ARG 646 H ARG 646 16.158 -8.737 -4.295 483 HA ARG 646 HA ARG 646 14.271 -6.744 -4.667 484 HB2 ARG 646 1HB ARG 646 15.572 -8.565 -6.683 485 HB3 ARG 646 2HB ARG 646 14.573 -7.194 -7.136 486 HG2 ARG 646 1HG ARG 646 17.051 -6.991 -5.441 487 HG3 ARG 646 2HG ARG 646 17.016 -6.751 -7.188 488 HD2 ARG 646 1HD ARG 646 15.472 -5.151 -5.151 489 HD3 ARG 646 2HD ARG 646 16.935 -4.624 -5.981 490 HE ARG 646 HE ARG 646 14.625 -5.356 -7.615 491 HH11 ARG 646 1HH1 ARG 646 16.671 -2.829 -6.291 492 HH12 ARG 646 2HH1 ARG 646 16.081 -1.620 -7.383 493 HH21 ARG 646 1HH2 ARG 646 13.857 -3.767 -9.038 494 HH22 ARG 646 2HH2 ARG 646 14.486 -2.151 -8.948 495 H ASP 647 H ASP 647 13.962 -10.159 -5.619 496 HA ASP 647 HA ASP 647 11.440 -9.882 -6.832 497 HB2 ASP 647 1HB ASP 647 12.847 -11.835 -7.252 498 HB3 ASP 647 2HB ASP 647 12.663 -12.348 -5.576 499 H GLU 648 H GLU 648 12.367 -10.645 -3.518 500 HA GLU 648 HA GLU 648 9.820 -11.384 -2.587 501 HB2 GLU 648 1HB GLU 648 12.044 -11.739 -1.421 502 HB3 GLU 648 2HB GLU 648 11.971 -10.054 -0.923 503 HG2 GLU 648 1HG GLU 648 10.071 -10.438 0.429 504 HG3 GLU 648 2HG GLU 648 9.783 -12.007 -0.313 505 H TYR 649 H TYR 649 11.500 -8.273 -2.617 506 HA TYR 649 HA TYR 649 9.634 -6.754 -1.232 507 HB2 TYR 649 1HB TYR 649 11.948 -6.044 -1.990 508 HB3 TYR 649 2HB TYR 649 11.251 -5.736 -3.576 509 HD1 TYR 649 HD2 TYR 649 9.296 -5.013 -0.555 510 HD2 TYR 649 HD1 TYR 649 11.931 -3.401 -3.485 511 HE1 TYR 649 HE2 TYR 649 8.691 -2.742 0.156 512 HE2 TYR 649 HE1 TYR 649 11.337 -1.126 -2.773 513 HH TYR 649 HH TYR 649 9.343 -0.016 -1.624 514 H TYR 650 H TYR 650 9.811 -7.306 -4.779 515 HA TYR 650 HA TYR 650 7.549 -5.782 -5.397 516 HB2 TYR 650 1HB TYR 650 9.146 -7.899 -6.795 517 HB3 TYR 650 2HB TYR 650 7.674 -7.277 -7.503 518 HD1 TYR 650 HD1 TYR 650 11.017 -6.235 -6.281 519 HD2 TYR 650 HD2 TYR 650 7.650 -5.274 -8.694 520 HE1 TYR 650 HE1 TYR 650 12.261 -4.350 -7.260 521 HE2 TYR 650 HE2 TYR 650 8.882 -3.391 -9.677 522 HH TYR 650 HH TYR 650 10.727 -1.969 -9.227 523 H HIS 651 H HIS 651 7.976 -9.159 -4.462 524 HA HIS 651 HA HIS 651 5.482 -10.090 -5.486 525 HB2 HIS 651 1HB HIS 651 7.422 -11.576 -5.030 526 HB3 HIS 651 2HB HIS 651 7.202 -11.292 -3.307 527 HD1 HIS 651 HD1 HIS 651 5.729 -12.922 -2.130 528 HD2 HIS 651 HD2 HIS 651 5.055 -12.872 -6.233 529 HE1 HIS 651 HE1 HIS 651 4.052 -14.739 -2.563 530 HE2 HIS 651 HE2 HIS 651 3.827 -14.827 -5.068 531 H LEU 652 H LEU 652 6.596 -8.971 -2.333 532 HA LEU 652 HA LEU 652 4.313 -9.683 -0.852 533 HB2 LEU 652 1HB LEU 652 6.238 -7.407 -0.379 534 HB3 LEU 652 2HB LEU 652 5.141 -8.084 0.809 535 HG LEU 652 HG LEU 652 7.389 -9.618 -0.491 536 HD11 LEU 652 1HD1 LEU 652 7.248 -8.273 2.201 537 HD12 LEU 652 2HD1 LEU 652 8.287 -7.819 0.850 538 HD13 LEU 652 3HD1 LEU 652 8.529 -9.361 1.669 539 HD21 LEU 652 3HD2 LEU 652 5.628 -10.247 1.875 540 HD22 LEU 652 1HD2 LEU 652 6.985 -11.222 1.309 541 HD23 LEU 652 2HD2 LEU 652 5.559 -11.020 0.292 542 H LEU 653 H LEU 653 5.241 -6.580 -2.296 543 HA LEU 653 HA LEU 653 2.925 -5.190 -1.516 544 HB2 LEU 653 1HB LEU 653 4.925 -4.690 -3.712 545 HB3 LEU 653 2HB LEU 653 3.612 -3.584 -3.348 546 HG LEU 653 HG LEU 653 5.410 -4.388 -1.116 547 HD11 LEU 653 1HD1 LEU 653 6.942 -2.536 -1.746 548 HD12 LEU 653 2HD1 LEU 653 6.132 -2.465 -3.312 549 HD13 LEU 653 3HD1 LEU 653 7.008 -3.919 -2.839 550 HD21 LEU 653 3HD2 LEU 653 4.134 -1.768 -1.892 551 HD22 LEU 653 1HD2 LEU 653 4.955 -2.133 -0.376 552 HD23 LEU 653 2HD2 LEU 653 3.437 -2.942 -0.772 553 H ALA 654 H ALA 654 3.767 -6.772 -4.603 554 HA ALA 654 HA ALA 654 1.426 -6.136 -5.986 555 HB1 ALA 654 3HB ALA 654 3.160 -8.583 -6.270 556 HB2 ALA 654 1HB ALA 654 3.413 -7.032 -7.069 557 HB3 ALA 654 2HB ALA 654 1.993 -8.002 -7.457 558 H GLU 655 H GLU 655 2.152 -8.873 -3.871 559 HA GLU 655 HA GLU 655 -0.253 -10.280 -4.288 560 HB2 GLU 655 1HB GLU 655 1.462 -11.507 -3.185 561 HB3 GLU 655 2HB GLU 655 1.641 -10.268 -1.939 562 HG2 GLU 655 1HG GLU 655 -0.532 -10.866 -1.035 563 HG3 GLU 655 2HG GLU 655 -0.754 -12.049 -2.323 564 H LYS 656 H LYS 656 0.582 -7.755 -1.939 565 HA LYS 656 HA LYS 656 -1.831 -7.788 -0.511 566 HB2 LYS 656 1HB LYS 656 0.403 -5.891 -0.819 567 HB3 LYS 656 2HB LYS 656 -1.130 -5.167 -0.356 568 HG2 LYS 656 1HG LYS 656 -1.241 -6.853 1.509 569 HG3 LYS 656 2HG LYS 656 0.422 -7.283 1.107 570 HD2 LYS 656 1HD LYS 656 1.141 -5.004 1.528 571 HD3 LYS 656 2HD LYS 656 -0.523 -4.516 1.849 572 HE2 LYS 656 1HE LYS 656 0.998 -6.575 3.444 573 HE3 LYS 656 2HE LYS 656 0.833 -4.883 3.901 574 HZ1 LYS 656 3HZ LYS 656 -1.371 -6.853 3.611 575 HZ2 LYS 656 1HZ LYS 656 -1.585 -5.209 3.967 576 HZ3 LYS 656 2HZ LYS 656 -0.777 -6.211 5.059 577 H ILE 657 H ILE 657 -0.928 -6.059 -3.470 578 HA ILE 657 HA ILE 657 -3.239 -4.456 -3.614 579 HB ILE 657 HB ILE 657 -1.575 -5.492 -5.934 580 HG12 ILE 657 1HG1 ILE 657 -1.313 -2.939 -4.321 581 HG13 ILE 657 2HG1 ILE 657 -0.229 -4.321 -4.218 582 HG21 ILE 657 1HG2 ILE 657 -3.750 -4.563 -6.600 583 HG22 ILE 657 2HG2 ILE 657 -2.417 -3.538 -7.129 584 HG23 ILE 657 3HG2 ILE 657 -3.379 -3.076 -5.725 585 HD11 ILE 657 3HD1 ILE 657 -0.662 -2.605 -6.650 586 HD12 ILE 657 1HD1 ILE 657 0.440 -3.976 -6.532 587 HD13 ILE 657 2HD1 ILE 657 0.721 -2.532 -5.559 588 H TYR 658 H TYR 658 -2.525 -7.680 -4.963 589 HA TYR 658 HA TYR 658 -5.081 -8.039 -6.117 590 HB2 TYR 658 1HB TYR 658 -3.038 -9.481 -6.605 591 HB3 TYR 658 2HB TYR 658 -3.385 -10.325 -5.097 592 HD1 TYR 658 HD1 TYR 658 -5.924 -9.070 -7.521 593 HD2 TYR 658 HD2 TYR 658 -3.909 -12.489 -5.953 594 HE1 TYR 658 HE1 TYR 658 -7.514 -10.539 -8.671 595 HE2 TYR 658 HE2 TYR 658 -5.502 -13.953 -7.103 596 HH TYR 658 HH TYR 658 -7.731 -13.890 -8.008 597 H LYS 659 H LYS 659 -3.834 -8.719 -2.856 598 HA LYS 659 HA LYS 659 -6.086 -10.049 -1.862 599 HB2 LYS 659 1HB LYS 659 -4.089 -8.231 -0.510 600 HB3 LYS 659 2HB LYS 659 -5.383 -9.019 0.376 601 HG2 LYS 659 1HG LYS 659 -3.270 -10.460 -1.215 602 HG3 LYS 659 2HG LYS 659 -3.226 -10.203 0.531 603 HD2 LYS 659 1HD LYS 659 -5.363 -11.439 0.724 604 HD3 LYS 659 2HD LYS 659 -5.306 -11.756 -1.010 605 HE2 LYS 659 1HE LYS 659 -4.482 -13.693 0.123 606 HE3 LYS 659 2HE LYS 659 -3.122 -12.900 -0.658 607 HZ1 LYS 659 3HZ LYS 659 -2.487 -13.563 1.530 608 HZ2 LYS 659 1HZ LYS 659 -3.820 -12.791 2.219 609 HZ3 LYS 659 2HZ LYS 659 -2.590 -11.878 1.509 610 H ILE 660 H ILE 660 -5.347 -6.576 -1.969 611 HA ILE 660 HA ILE 660 -7.762 -5.632 -0.908 612 HB ILE 660 HB ILE 660 -5.521 -4.482 -2.346 613 HG12 ILE 660 1HG1 ILE 660 -7.538 -3.353 -0.411 614 HG13 ILE 660 2HG1 ILE 660 -6.001 -4.101 0.003 615 HG21 ILE 660 1HG2 ILE 660 -8.257 -3.371 -2.974 616 HG22 ILE 660 2HG2 ILE 660 -6.996 -3.843 -4.114 617 HG23 ILE 660 3HG2 ILE 660 -6.779 -2.423 -3.100 618 HD11 ILE 660 3HD1 ILE 660 -4.826 -2.309 -1.179 619 HD12 ILE 660 1HD1 ILE 660 -5.841 -1.697 0.127 620 HD13 ILE 660 2HD1 ILE 660 -6.376 -1.554 -1.547 621 H GLN 661 H GLN 661 -6.941 -6.653 -4.191 622 HA GLN 661 HA GLN 661 -9.303 -5.618 -5.393 623 HB2 GLN 661 1HB GLN 661 -7.444 -7.824 -6.334 624 HB3 GLN 661 2HB GLN 661 -8.804 -7.227 -7.265 625 HG2 GLN 661 1HG GLN 661 -7.774 -4.966 -7.265 626 HG3 GLN 661 2HG GLN 661 -6.384 -5.636 -6.418 627 HE21 GLN 661 1HE2 GLN 661 -4.946 -6.947 -7.506 628 HE22 GLN 661 2HE2 GLN 661 -4.942 -7.094 -9.227 629 H LYS 662 H LYS 662 -8.433 -8.668 -3.899 630 HA LYS 662 HA LYS 662 -10.777 -10.069 -4.625 631 HB2 LYS 662 1HB LYS 662 -8.733 -11.219 -3.887 632 HB3 LYS 662 2HB LYS 662 -8.920 -10.521 -2.284 633 HG2 LYS 662 1HG LYS 662 -10.938 -11.754 -1.913 634 HG3 LYS 662 2HG LYS 662 -10.937 -12.340 -3.576 635 HD2 LYS 662 1HD LYS 662 -10.142 -14.094 -2.148 636 HD3 LYS 662 2HD LYS 662 -8.790 -13.496 -3.106 637 HE2 LYS 662 1HE LYS 662 -8.084 -13.853 -0.825 638 HE3 LYS 662 2HE LYS 662 -8.061 -12.132 -1.197 639 HZ1 LYS 662 3HZ LYS 662 -10.288 -13.488 0.224 640 HZ2 LYS 662 1HZ LYS 662 -10.080 -11.821 0.015 641 HZ3 LYS 662 2HZ LYS 662 -9.018 -12.689 1.003 642 H GLU 663 H GLU 663 -9.878 -8.091 -1.835 643 HA GLU 663 HA GLU 663 -12.185 -8.638 -0.292 644 HB2 GLU 663 1HB GLU 663 -10.372 -6.220 -0.256 645 HB3 GLU 663 2HB GLU 663 -11.595 -6.572 0.955 646 HG2 GLU 663 1HG GLU 663 -9.097 -8.139 0.365 647 HG3 GLU 663 2HG GLU 663 -9.478 -7.222 1.819 648 H LEU 664 H LEU 664 -11.381 -5.928 -2.450 649 HA LEU 664 HA LEU 664 -13.786 -4.518 -2.185 650 HB2 LEU 664 1HB LEU 664 -11.945 -4.696 -4.573 651 HB3 LEU 664 2HB LEU 664 -13.210 -3.498 -4.368 652 HG LEU 664 HG LEU 664 -10.777 -3.793 -2.600 653 HD11 LEU 664 1HD1 LEU 664 -10.075 -1.676 -3.603 654 HD12 LEU 664 2HD1 LEU 664 -11.471 -1.725 -4.681 655 HD13 LEU 664 3HD1 LEU 664 -10.212 -2.954 -4.811 656 HD21 LEU 664 3HD2 LEU 664 -12.983 -1.734 -2.600 657 HD22 LEU 664 1HD2 LEU 664 -11.515 -1.665 -1.627 658 HD23 LEU 664 2HD2 LEU 664 -12.689 -2.951 -1.359 659 H GLU 665 H GLU 665 -12.854 -7.097 -4.421 660 HA GLU 665 HA GLU 665 -15.298 -7.212 -5.825 661 HB2 GLU 665 1HB GLU 665 -13.090 -9.188 -5.335 662 HB3 GLU 665 2HB GLU 665 -14.546 -9.656 -6.205 663 HG2 GLU 665 1HG GLU 665 -12.814 -7.333 -6.998 664 HG3 GLU 665 2HG GLU 665 -12.614 -8.968 -7.630 665 H GLU 666 H GLU 666 -14.116 -8.953 -2.983 666 HA GLU 666 HA GLU 666 -16.152 -10.829 -2.764 667 HB2 GLU 666 1HB GLU 666 -13.928 -10.719 -1.517 668 HB3 GLU 666 2HB GLU 666 -14.732 -9.629 -0.396 669 HG2 GLU 666 1HG GLU 666 -14.715 -11.905 0.447 670 HG3 GLU 666 2HG GLU 666 -16.362 -11.355 0.134 671 H LYS 667 H LYS 667 -15.900 -7.632 -1.227 672 HA LYS 667 HA LYS 667 -18.278 -7.861 0.240 673 HB2 LYS 667 1HB LYS 667 -18.143 -5.492 0.617 674 HB3 LYS 667 2HB LYS 667 -16.532 -6.172 0.704 675 HG2 LYS 667 1HG LYS 667 -16.066 -4.330 -0.518 676 HG3 LYS 667 2HG LYS 667 -16.487 -5.418 -1.840 677 HD2 LYS 667 1HD LYS 667 -17.597 -3.305 -2.173 678 HD3 LYS 667 2HD LYS 667 -18.801 -4.532 -1.776 679 HE2 LYS 667 1HE LYS 667 -18.860 -3.735 0.533 680 HE3 LYS 667 2HE LYS 667 -17.628 -2.533 0.157 681 HZ1 LYS 667 3HZ LYS 667 -19.726 -1.459 0.105 682 HZ2 LYS 667 1HZ LYS 667 -20.407 -2.658 -0.884 683 HZ3 LYS 667 2HZ LYS 667 -19.227 -1.615 -1.504 684 H ARG 668 H ARG 668 -17.680 -6.730 -3.061 685 HA ARG 668 HA ARG 668 -20.313 -5.867 -3.490 686 HB2 ARG 668 1HB ARG 668 -18.424 -4.996 -4.795 687 HB3 ARG 668 2HB ARG 668 -18.201 -6.591 -5.499 688 HG2 ARG 668 1HG ARG 668 -20.444 -6.432 -6.503 689 HG3 ARG 668 2HG ARG 668 -20.593 -4.798 -5.854 690 HD2 ARG 668 1HD ARG 668 -18.589 -4.146 -7.138 691 HD3 ARG 668 2HD ARG 668 -18.535 -5.765 -7.832 692 HE ARG 668 HE ARG 668 -21.003 -4.265 -8.182 693 HH11 ARG 668 1HH1 ARG 668 -17.987 -5.377 -9.562 694 HH12 ARG 668 2HH1 ARG 668 -18.455 -5.036 -11.195 695 HH21 ARG 668 1HH2 ARG 668 -21.636 -3.818 -10.320 696 HH22 ARG 668 2HH2 ARG 668 -20.540 -4.136 -11.627 697 H ARG 669 H ARG 669 -18.685 -8.795 -3.783 698 HA ARG 669 HA ARG 669 -20.536 -10.221 -5.394 699 HB2 ARG 669 1HB ARG 669 -18.598 -11.273 -3.324 700 HB3 ARG 669 2HB ARG 669 -19.455 -12.262 -4.497 701 HG2 ARG 669 1HG ARG 669 -17.442 -10.119 -5.146 702 HG3 ARG 669 2HG ARG 669 -17.144 -11.857 -5.164 703 HD2 ARG 669 1HD ARG 669 -18.719 -12.154 -6.957 704 HD3 ARG 669 2HD ARG 669 -19.196 -10.461 -6.874 705 HE ARG 669 HE ARG 669 -16.740 -10.049 -7.479 706 HH11 ARG 669 1HH1 ARG 669 -18.611 -12.789 -8.584 707 HH12 ARG 669 2HH1 ARG 669 -17.729 -12.958 -10.066 708 HH21 ARG 669 1HH2 ARG 669 -15.572 -10.254 -9.427 709 HH22 ARG 669 2HH2 ARG 669 -16.003 -11.517 -10.548 710 H SER 670 H SER 670 -20.310 -9.497 -2.000 711 HA SER 670 HA SER 670 -22.565 -11.210 -1.344 712 HB2 SER 670 1HB SER 670 -20.578 -11.001 0.178 713 HB3 SER 670 2HB SER 670 -21.002 -9.311 0.429 714 HG SER 670 HG SER 670 -22.868 -11.370 0.911 715 H ARG 671 H ARG 671 -22.246 -8.420 -2.857 716 HA ARG 671 HA ARG 671 -23.593 -6.689 -3.388 717 HB2 ARG 671 1HB ARG 671 -25.543 -8.225 -1.694 718 HB3 ARG 671 2HB ARG 671 -25.949 -6.642 -2.336 719 HG2 ARG 671 1HG ARG 671 -26.854 -8.238 -3.822 720 HG3 ARG 671 2HG ARG 671 -25.442 -7.548 -4.623 721 HD2 ARG 671 1HD ARG 671 -25.524 -9.966 -4.923 722 HD3 ARG 671 2HD ARG 671 -24.117 -9.497 -3.969 723 HE ARG 671 HE ARG 671 -25.886 -10.053 -2.049 724 HH11 ARG 671 1HH1 ARG 671 -25.014 -11.836 -4.933 725 HH12 ARG 671 2HH1 ARG 671 -25.359 -13.383 -4.235 726 HH21 ARG 671 1HH2 ARG 671 -26.344 -12.086 -1.128 727 HH22 ARG 671 2HH2 ARG 671 -26.117 -13.526 -2.069 728 H LEU 672 H LEU 672 -25.007 -4.880 -2.204 729 HA LEU 672 HA LEU 672 -24.561 -2.907 -1.101 730 HB2 LEU 672 1HB LEU 672 -24.540 -4.951 1.119 731 HB3 LEU 672 2HB LEU 672 -24.671 -3.223 1.390 732 HG LEU 672 HG LEU 672 -26.659 -4.900 -0.153 733 HD11 LEU 672 1HD1 LEU 672 -26.805 -3.729 2.618 734 HD12 LEU 672 2HD1 LEU 672 -26.681 -5.439 2.211 735 HD13 LEU 672 3HD1 LEU 672 -28.126 -4.531 1.769 736 HD21 LEU 672 3HD2 LEU 672 -26.715 -2.004 0.690 737 HD22 LEU 672 1HD2 LEU 672 -28.068 -2.884 -0.017 738 HD23 LEU 672 2HD2 LEU 672 -26.604 -2.617 -0.959 739 H1 ASP 840 1H ASP 840 1.344 -8.085 12.702 740 HA ASP 840 HA ASP 840 0.711 -9.903 10.497 741 HB2 ASP 840 1HB ASP 840 0.179 -6.917 10.670 742 HB3 ASP 840 2HB ASP 840 -0.444 -8.032 9.448 743 H ALA 841 H ALA 841 2.823 -10.405 9.873 744 HA ALA 841 HA ALA 841 4.648 -8.293 9.130 745 HB1 ALA 841 3HB ALA 841 4.888 -11.277 8.758 746 HB2 ALA 841 1HB ALA 841 5.488 -10.361 10.139 747 HB3 ALA 841 2HB ALA 841 6.177 -10.095 8.538 748 H GLY 842 H GLY 842 2.892 -7.471 7.632 749 HA2 GLY 842 1HA GLY 842 2.255 -6.985 5.493 750 HA3 GLY 842 2HA GLY 842 3.675 -7.874 4.959 751 H ASN 843 H ASN 843 0.351 -8.259 6.067 752 HA ASN 843 HA ASN 843 0.160 -10.642 4.351 753 HB2 ASN 843 1HB ASN 843 -1.134 -10.119 7.032 754 HB3 ASN 843 2HB ASN 843 -1.621 -11.432 5.964 755 HD21 ASN 843 1HD2 ASN 843 1.096 -11.975 5.056 756 HD22 ASN 843 2HD2 ASN 843 1.893 -12.756 6.373 757 H ILE 844 H ILE 844 -2.713 -9.820 5.876 758 HA ILE 844 HA ILE 844 -3.767 -8.969 3.270 759 HB ILE 844 HB ILE 844 -5.444 -9.860 5.635 760 HG12 ILE 844 1HG1 ILE 844 -4.242 -11.525 3.402 761 HG13 ILE 844 2HG1 ILE 844 -3.886 -11.669 5.118 762 HG21 ILE 844 1HG2 ILE 844 -6.628 -8.654 3.881 763 HG22 ILE 844 2HG2 ILE 844 -7.103 -10.355 3.903 764 HG23 ILE 844 3HG2 ILE 844 -5.988 -9.766 2.671 765 HD11 ILE 844 3HD1 ILE 844 -6.540 -12.242 3.825 766 HD12 ILE 844 1HD1 ILE 844 -6.155 -12.435 5.535 767 HD13 ILE 844 2HD1 ILE 844 -5.354 -13.444 4.328 768 H LEU 845 H LEU 845 -5.293 -7.238 3.129 769 HA LEU 845 HA LEU 845 -4.556 -5.093 4.941 770 HB2 LEU 845 1HB LEU 845 -6.119 -5.034 2.356 771 HB3 LEU 845 2HB LEU 845 -5.670 -3.620 3.293 772 HG LEU 845 HG LEU 845 -3.232 -4.710 2.952 773 HD11 LEU 845 1HD1 LEU 845 -4.687 -5.387 0.401 774 HD12 LEU 845 2HD1 LEU 845 -4.183 -6.568 1.611 775 HD13 LEU 845 3HD1 LEU 845 -2.974 -5.614 0.755 776 HD21 LEU 845 3HD2 LEU 845 -4.110 -2.401 2.382 777 HD22 LEU 845 1HD2 LEU 845 -4.485 -3.051 0.791 778 HD23 LEU 845 2HD2 LEU 845 -2.817 -3.030 1.360 779 HA PRO 846 HA PRO 846 -7.922 -5.405 7.691 780 HB2 PRO 846 1HB PRO 846 -7.891 -2.431 7.394 781 HB3 PRO 846 2HB PRO 846 -7.934 -3.410 8.862 782 HG2 PRO 846 1HG PRO 846 -5.670 -2.283 8.073 783 HG3 PRO 846 2HG PRO 846 -5.677 -3.924 8.746 784 HD2 PRO 846 1HD PRO 846 -5.343 -3.032 5.932 785 HD3 PRO 846 2HD PRO 846 -4.668 -4.449 6.761 786 H SER 847 H SER 847 -9.945 -5.831 7.382 787 HA SER 847 HA SER 847 -11.478 -5.297 5.131 788 HB2 SER 847 1HB SER 847 -11.937 -7.079 6.824 789 HB3 SER 847 2HB SER 847 -12.525 -5.833 7.922 790 HG SER 847 HG SER 847 -13.694 -6.913 5.647 791 H ASP 848 H ASP 848 -11.186 -3.518 8.168 792 HA ASP 848 HA ASP 848 -13.366 -1.813 7.848 793 HB2 ASP 848 1HB ASP 848 -12.550 -0.619 9.667 794 HB3 ASP 848 2HB ASP 848 -11.936 -2.237 9.929 795 H ILE 849 H ILE 849 -9.995 -1.439 6.702 796 HA ILE 849 HA ILE 849 -10.343 1.196 5.721 797 HB ILE 849 HB ILE 849 -8.413 -0.876 4.625 798 HG12 ILE 849 1HG1 ILE 849 -8.149 -0.457 7.072 799 HG13 ILE 849 2HG1 ILE 849 -6.763 0.071 6.126 800 HG21 ILE 849 1HG2 ILE 849 -8.456 2.135 4.412 801 HG22 ILE 849 2HG2 ILE 849 -8.725 0.986 3.102 802 HG23 ILE 849 3HG2 ILE 849 -7.139 1.096 3.868 803 HD11 ILE 849 3HD1 ILE 849 -7.308 1.663 7.877 804 HD12 ILE 849 1HD1 ILE 849 -8.935 1.850 7.222 805 HD13 ILE 849 2HD1 ILE 849 -7.538 2.383 6.285 806 H MET 850 H MET 850 -10.907 -1.977 4.299 807 HA MET 850 HA MET 850 -11.557 -1.130 1.688 808 HB2 MET 850 1HB MET 850 -12.578 -3.527 3.236 809 HB3 MET 850 2HB MET 850 -12.744 -3.311 1.501 810 HG2 MET 850 1HG MET 850 -10.144 -3.571 3.002 811 HG3 MET 850 2HG MET 850 -10.934 -4.847 2.083 812 HE1 MET 850 3HE MET 850 -9.657 -1.094 1.673 813 HE2 MET 850 1HE MET 850 -8.428 -1.383 0.444 814 HE3 MET 850 2HE MET 850 -8.289 -2.147 2.027 815 H ASP 851 H ASP 851 -13.592 -1.679 4.554 816 HA ASP 851 HA ASP 851 -16.009 -0.736 3.452 817 HB2 ASP 851 1HB ASP 851 -14.920 -0.922 6.264 818 HB3 ASP 851 2HB ASP 851 -16.418 -0.041 5.964 819 H PHE 852 H PHE 852 -13.286 0.936 4.897 820 HA PHE 852 HA PHE 852 -14.430 3.426 5.380 821 HB2 PHE 852 1HB PHE 852 -12.066 2.295 5.921 822 HB3 PHE 852 2HB PHE 852 -11.577 3.290 4.560 823 HD1 PHE 852 HD1 PHE 852 -14.108 4.140 7.138 824 HD2 PHE 852 HD2 PHE 852 -10.194 4.841 5.623 825 HE1 PHE 852 HE1 PHE 852 -13.855 6.039 8.676 826 HE2 PHE 852 HE2 PHE 852 -9.937 6.740 7.157 827 HZ PHE 852 HZ PHE 852 -11.767 7.342 8.690 828 H VAL 853 H VAL 853 -12.693 2.268 2.479 829 HA VAL 853 HA VAL 853 -12.823 4.732 1.103 830 HB VAL 853 HB VAL 853 -11.247 3.340 0.142 831 HG11 VAL 853 1HG1 VAL 853 -11.636 1.004 -0.517 832 HG12 VAL 853 2HG1 VAL 853 -13.273 1.109 0.131 833 HG13 VAL 853 3HG1 VAL 853 -11.886 1.264 1.209 834 HG21 VAL 853 3HG2 VAL 853 -13.650 2.891 -1.625 835 HG22 VAL 853 1HG2 VAL 853 -11.960 2.833 -2.122 836 HG23 VAL 853 2HG2 VAL 853 -12.676 4.358 -1.595 837 H LEU 854 H LEU 854 -14.978 1.913 1.041 838 HA LEU 854 HA LEU 854 -16.787 2.986 -0.837 839 HB2 LEU 854 1HB LEU 854 -17.003 0.824 1.223 840 HB3 LEU 854 2HB LEU 854 -18.438 1.369 0.384 841 HG LEU 854 HG LEU 854 -17.487 -0.679 -0.596 842 HD11 LEU 854 1HD1 LEU 854 -18.728 0.999 -1.998 843 HD12 LEU 854 2HD1 LEU 854 -17.654 -0.086 -2.872 844 HD13 LEU 854 3HD1 LEU 854 -17.159 1.573 -2.566 845 HD21 LEU 854 3HD2 LEU 854 -15.103 1.033 -1.261 846 HD22 LEU 854 1HD2 LEU 854 -15.386 -0.609 -1.834 847 HD23 LEU 854 2HD2 LEU 854 -15.140 -0.306 -0.115 848 H LYS 855 H LYS 855 -16.517 3.294 2.653 849 HA LYS 855 HA LYS 855 -18.990 4.492 3.198 850 HB2 LYS 855 1HB LYS 855 -17.418 3.743 4.959 851 HB3 LYS 855 2HB LYS 855 -16.334 5.061 4.543 852 HG2 LYS 855 1HG LYS 855 -17.588 5.653 6.534 853 HG3 LYS 855 2HG LYS 855 -18.089 6.677 5.184 854 HD2 LYS 855 1HD LYS 855 -20.031 5.954 6.425 855 HD3 LYS 855 2HD LYS 855 -20.039 5.212 4.826 856 HE2 LYS 855 1HE LYS 855 -19.147 3.148 5.774 857 HE3 LYS 855 2HE LYS 855 -19.111 3.890 7.371 858 HZ1 LYS 855 3HZ LYS 855 -21.501 4.093 7.308 859 HZ2 LYS 855 1HZ LYS 855 -21.056 2.483 7.047 860 HZ3 LYS 855 2HZ LYS 855 -21.553 3.444 5.748 861 H ASN 856 H ASN 856 -16.138 5.781 1.680 862 HA ASN 856 HA ASN 856 -17.157 8.521 1.844 863 HB2 ASN 856 1HB ASN 856 -14.745 8.148 2.188 864 HB3 ASN 856 2HB ASN 856 -14.623 7.429 0.587 865 HD21 ASN 856 1HD2 ASN 856 -16.548 10.266 1.414 866 HD22 ASN 856 2HD2 ASN 856 -15.619 11.382 0.478 867 H THR 857 H THR 857 -18.297 9.422 0.261 868 HA THR 857 HA THR 857 -18.156 8.290 -2.435 869 HB THR 857 HB THR 857 -20.777 9.205 -1.262 870 HG1 THR 857 HG1 THR 857 -20.469 7.498 0.027 871 HG21 THR 857 1HG2 THR 857 -21.713 7.806 -3.038 872 HG22 THR 857 2HG2 THR 857 -20.088 7.331 -3.531 873 HG23 THR 857 3HG2 THR 857 -20.607 9.006 -3.704 874 HA PRO 858 HA PRO 858 -17.853 12.865 -2.554 875 HB2 PRO 858 1HB PRO 858 -15.421 13.024 -3.747 876 HB3 PRO 858 2HB PRO 858 -15.628 12.827 -2.006 877 HG2 PRO 858 1HG PRO 858 -14.656 10.905 -3.988 878 HG3 PRO 858 2HG PRO 858 -14.499 10.874 -2.226 879 HD2 PRO 858 1HD PRO 858 -16.377 9.447 -3.903 880 HD3 PRO 858 2HD PRO 858 -16.128 9.310 -2.153
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