NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1216 | 1acz | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 509 1H CYS 509 1.255 -27.870 -8.737 2 2H CYS 509 3H CYS 509 1.835 -28.272 -7.195 3 3H CYS 509 2H CYS 509 0.384 -28.953 -7.759 4 HA CYS 509 HA CYS 509 -0.732 -26.867 -7.683 5 1HB CYS 509 2HB CYS 509 -0.546 -28.153 -5.563 6 2HB CYS 509 1HB CYS 509 0.928 -27.267 -5.174 7 H THR 510 H THR 510 0.044 -25.198 -9.015 8 HA THR 510 HA THR 510 1.888 -23.301 -7.667 9 HB THR 510 HB THR 510 3.200 -22.989 -9.720 10 HG1 THR 510 HG1 THR 510 2.713 -24.033 -11.529 11 1HG2 THR 510 1HG2 THR 510 3.826 -24.754 -8.024 12 2HG2 THR 510 3HG2 THR 510 3.039 -25.940 -9.065 13 3HG2 THR 510 2HG2 THR 510 4.445 -25.049 -9.648 14 H THR 511 H THR 511 -1.065 -23.603 -8.583 15 HA THR 511 HA THR 511 -1.412 -21.514 -10.576 16 HB THR 511 HB THR 511 -3.747 -21.976 -8.907 17 HG1 THR 511 HG1 THR 511 -3.895 -24.168 -9.225 18 1HG2 THR 511 3HG2 THR 511 -3.627 -21.182 -11.304 19 2HG2 THR 511 2HG2 THR 511 -3.170 -22.825 -11.754 20 3HG2 THR 511 1HG2 THR 511 -4.747 -22.516 -11.028 21 HA PRO 512 HA PRO 512 -2.619 -18.898 -6.768 22 1HB PRO 512 2HB PRO 512 -2.263 -20.022 -4.285 23 2HB PRO 512 1HB PRO 512 -3.765 -20.159 -5.215 24 1HG PRO 512 2HG PRO 512 -1.664 -22.217 -4.732 25 2HG PRO 512 1HG PRO 512 -3.386 -22.434 -5.085 26 1HD PRO 512 2HD PRO 512 -1.259 -22.743 -6.928 27 2HD PRO 512 1HD PRO 512 -2.987 -22.645 -7.330 28 H THR 513 H THR 513 -0.474 -18.136 -7.677 29 HA THR 513 HA THR 513 1.756 -18.484 -5.717 30 HB THR 513 HB THR 513 3.225 -17.719 -7.593 31 HG1 THR 513 HG1 THR 513 2.369 -17.131 -9.429 32 1HG2 THR 513 2HG2 THR 513 1.571 -20.182 -7.620 33 2HG2 THR 513 1HG2 THR 513 2.460 -19.830 -9.103 34 3HG2 THR 513 3HG2 THR 513 3.325 -20.003 -7.575 35 H ALA 514 H ALA 514 -0.653 -16.357 -6.540 36 HA ALA 514 HA ALA 514 0.972 -13.911 -6.180 37 1HB ALA 514 2HB ALA 514 -1.363 -14.463 -7.593 38 2HB ALA 514 1HB ALA 514 -1.926 -13.555 -6.190 39 3HB ALA 514 3HB ALA 514 -0.711 -12.859 -7.262 40 H VAL 515 H VAL 515 -0.231 -12.247 -4.618 41 HA VAL 515 HA VAL 515 -1.065 -13.697 -2.159 42 HB VAL 515 HB VAL 515 0.883 -11.415 -2.221 43 1HG1 VAL 515 2HG1 VAL 515 -0.796 -11.516 -0.315 44 2HG1 VAL 515 1HG1 VAL 515 -0.079 -13.056 0.128 45 3HG1 VAL 515 3HG1 VAL 515 0.903 -11.588 0.159 46 1HG2 VAL 515 2HG2 VAL 515 1.180 -14.364 -1.652 47 2HG2 VAL 515 1HG2 VAL 515 1.932 -13.462 -2.965 48 3HG2 VAL 515 3HG2 VAL 515 2.424 -13.162 -1.299 49 H ALA 516 H ALA 516 -3.240 -13.037 -2.310 50 HA ALA 516 HA ALA 516 -3.859 -10.231 -2.852 51 1HB ALA 516 2HB ALA 516 -5.395 -12.164 -3.440 52 2HB ALA 516 1HB ALA 516 -5.718 -12.335 -1.714 53 3HB ALA 516 3HB ALA 516 -6.168 -10.848 -2.552 54 H VAL 517 H VAL 517 -3.425 -8.725 -1.274 55 HA VAL 517 HA VAL 517 -4.045 -9.568 1.528 56 HB VAL 517 HB VAL 517 -2.227 -7.299 1.318 57 1HG1 VAL 517 3HG1 VAL 517 -2.838 -8.623 3.335 58 2HG1 VAL 517 2HG1 VAL 517 -1.931 -9.978 2.665 59 3HG1 VAL 517 1HG1 VAL 517 -1.093 -8.472 3.079 60 1HG2 VAL 517 2HG2 VAL 517 -1.436 -8.713 -0.648 61 2HG2 VAL 517 1HG2 VAL 517 -0.249 -8.354 0.618 62 3HG2 VAL 517 3HG2 VAL 517 -1.017 -9.942 0.547 63 H THR 518 H THR 518 -5.496 -8.186 2.529 64 HA THR 518 HA THR 518 -6.371 -5.824 0.960 65 HB THR 518 HB THR 518 -8.076 -5.968 3.105 66 HG1 THR 518 HG1 THR 518 -7.120 -7.861 3.860 67 1HG2 THR 518 2HG2 THR 518 -8.227 -7.457 0.470 68 2HG2 THR 518 1HG2 THR 518 -9.604 -7.169 1.534 69 3HG2 THR 518 3HG2 THR 518 -8.773 -5.809 0.779 70 H PHE 519 H PHE 519 -5.627 -3.872 1.574 71 HA PHE 519 HA PHE 519 -4.627 -3.602 4.371 72 1HB PHE 519 2HB PHE 519 -3.749 -1.634 2.301 73 2HB PHE 519 1HB PHE 519 -2.907 -2.210 3.718 74 HD1 PHE 519 HD1 PHE 519 -4.231 -3.651 0.476 75 HD2 PHE 519 HD2 PHE 519 -1.088 -3.513 3.391 76 HE1 PHE 519 HE1 PHE 519 -2.921 -5.273 -0.862 77 HE2 PHE 519 HE2 PHE 519 0.224 -5.140 2.052 78 HZ PHE 519 HZ PHE 519 -0.701 -6.015 -0.062 79 H ASP 520 H ASP 520 -5.018 -1.598 5.404 80 HA ASP 520 HA ASP 520 -6.971 0.221 4.156 81 1HB ASP 520 2HB ASP 520 -7.451 -1.577 6.498 82 2HB ASP 520 1HB ASP 520 -8.087 0.059 6.584 83 H LEU 521 H LEU 521 -6.946 2.317 5.314 84 HA LEU 521 HA LEU 521 -5.122 2.654 7.550 85 1HB LEU 521 2HB LEU 521 -3.658 2.455 5.447 86 2HB LEU 521 1HB LEU 521 -4.313 4.034 5.004 87 HG LEU 521 HG LEU 521 -3.107 3.531 7.723 88 1HD1 LEU 521 2HD1 LEU 521 -1.741 3.435 5.242 89 2HD1 LEU 521 1HD1 LEU 521 -1.343 4.992 5.961 90 3HD1 LEU 521 3HD1 LEU 521 -1.023 3.500 6.845 91 1HD2 LEU 521 2HD2 LEU 521 -3.756 5.945 6.018 92 2HD2 LEU 521 1HD2 LEU 521 -4.446 5.532 7.590 93 3HD2 LEU 521 3HD2 LEU 521 -2.757 6.049 7.469 94 H THR 522 H THR 522 -6.106 4.151 8.762 95 HA THR 522 HA THR 522 -7.984 5.983 7.444 96 HB THR 522 HB THR 522 -7.182 6.081 10.351 97 HG1 THR 522 HG1 THR 522 -9.140 4.446 9.111 98 1HG2 THR 522 3HG2 THR 522 -8.637 7.876 9.262 99 2HG2 THR 522 2HG2 THR 522 -9.858 6.621 9.055 100 3HG2 THR 522 1HG2 THR 522 -9.326 7.075 10.674 101 H ALA 523 H ALA 523 -7.084 7.699 6.329 102 HA ALA 523 HA ALA 523 -5.324 9.455 7.916 103 1HB ALA 523 3HB ALA 523 -4.512 8.289 5.253 104 2HB ALA 523 2HB ALA 523 -3.620 9.558 6.109 105 3HB ALA 523 1HB ALA 523 -3.754 7.946 6.805 106 H THR 524 H THR 524 -7.931 9.353 6.254 107 HA THR 524 HA THR 524 -9.228 10.804 4.924 108 HB THR 524 HB THR 524 -8.565 12.130 7.052 109 HG1 THR 524 HG1 THR 524 -9.282 14.133 5.712 110 1HG2 THR 524 3HG2 THR 524 -6.468 12.837 5.199 111 2HG2 THR 524 2HG2 THR 524 -7.360 14.277 5.694 112 3HG2 THR 524 1HG2 THR 524 -6.617 13.236 6.909 113 H THR 525 H THR 525 -9.220 12.372 3.052 114 HA THR 525 HA THR 525 -6.553 12.707 1.777 115 HB THR 525 HB THR 525 -7.847 10.558 1.081 116 HG1 THR 525 HG1 THR 525 -6.509 10.630 -0.510 117 1HG2 THR 525 2HG2 THR 525 -9.812 12.356 0.494 118 2HG2 THR 525 1HG2 THR 525 -9.039 12.160 -1.078 119 3HG2 THR 525 3HG2 THR 525 -9.679 10.763 -0.230 120 H THR 526 H THR 526 -7.647 13.445 -0.779 121 HA THR 526 HA THR 526 -9.493 15.668 -0.316 122 HB THR 526 HB THR 526 -7.515 16.814 0.306 123 HG1 THR 526 HG1 THR 526 -7.420 18.338 -1.273 124 1HG2 THR 526 2HG2 THR 526 -6.289 15.029 -1.681 125 2HG2 THR 526 1HG2 THR 526 -5.663 16.676 -1.735 126 3HG2 THR 526 3HG2 THR 526 -5.582 15.750 -0.236 127 H TYR 527 H TYR 527 -10.224 13.753 -1.788 128 HA TYR 527 HA TYR 527 -10.681 12.901 -3.943 129 1HB TYR 527 2HB TYR 527 -11.915 15.195 -3.429 130 2HB TYR 527 1HB TYR 527 -10.927 15.763 -4.765 131 HD1 TYR 527 HD2 TYR 527 -13.384 13.044 -3.838 132 HD2 TYR 527 HD1 TYR 527 -11.576 15.327 -7.003 133 HE1 TYR 527 HE2 TYR 527 -14.877 12.009 -5.378 134 HE2 TYR 527 HE1 TYR 527 -13.163 14.286 -8.603 135 HH TYR 527 HH TYR 527 -15.350 13.188 -8.577 136 H GLY 528 H GLY 528 -7.754 13.454 -3.535 137 1HA GLY 528 2HA GLY 528 -6.896 13.047 -6.226 138 2HA GLY 528 1HA GLY 528 -6.631 14.739 -5.819 139 H GLU 529 H GLU 529 -5.646 11.422 -5.063 140 HA GLU 529 HA GLU 529 -2.953 11.931 -4.636 141 1HB GLU 529 2HB GLU 529 -2.855 11.833 -2.067 142 2HB GLU 529 1HB GLU 529 -3.299 13.375 -2.790 143 1HG GLU 529 2HG GLU 529 -5.685 12.848 -2.444 144 2HG GLU 529 1HG GLU 529 -5.228 11.311 -1.709 145 H ASN 530 H ASN 530 -1.990 10.130 -2.909 146 HA ASN 530 HA ASN 530 -3.748 7.737 -2.861 147 1HB ASN 530 2HB ASN 530 -2.699 7.875 -5.165 148 2HB ASN 530 1HB ASN 530 -1.144 7.616 -4.381 149 1HD2 ASN 530 2HD2 ASN 530 -2.051 4.257 -3.337 150 2HD2 ASN 530 1HD2 ASN 530 -1.354 5.631 -2.666 151 H ILE 531 H ILE 531 -3.313 6.430 -1.148 152 HA ILE 531 HA ILE 531 -0.687 6.911 0.269 153 HB ILE 531 HB ILE 531 -3.133 7.124 1.377 154 1HG1 ILE 531 2HG1 ILE 531 -1.017 5.831 2.999 155 2HG1 ILE 531 1HG1 ILE 531 -0.872 7.478 2.429 156 1HG2 ILE 531 1HG2 ILE 531 -2.420 4.222 1.587 157 2HG2 ILE 531 3HG2 ILE 531 -3.469 5.022 2.750 158 3HG2 ILE 531 2HG2 ILE 531 -3.926 4.944 1.051 159 1HD1 ILE 531 1HD1 ILE 531 -3.486 6.798 3.685 160 2HD1 ILE 531 3HD1 ILE 531 -2.080 6.824 4.781 161 3HD1 ILE 531 2HD1 ILE 531 -2.494 8.253 3.824 162 H TYR 532 H TYR 532 0.719 5.282 -0.126 163 HA TYR 532 HA TYR 532 -0.302 2.795 -1.336 164 1HB TYR 532 2HB TYR 532 2.086 4.443 -1.435 165 2HB TYR 532 1HB TYR 532 2.375 2.708 -1.547 166 HD1 TYR 532 HD1 TYR 532 0.424 5.535 -2.927 167 HD2 TYR 532 HD2 TYR 532 1.792 1.465 -3.384 168 HE1 TYR 532 HE1 TYR 532 -0.112 5.629 -5.376 169 HE2 TYR 532 HE2 TYR 532 1.231 1.556 -5.835 170 HH TYR 532 HH TYR 532 -0.023 2.764 -7.389 171 H LEU 533 H LEU 533 1.504 1.058 -1.219 172 HA LEU 533 HA LEU 533 2.293 0.510 1.555 173 1HB LEU 533 2HB LEU 533 0.095 -0.709 0.549 174 2HB LEU 533 1HB LEU 533 1.349 -1.813 -0.013 175 HG LEU 533 HG LEU 533 0.702 -2.649 2.104 176 1HD1 LEU 533 1HD1 LEU 533 3.152 -2.487 1.777 177 2HD1 LEU 533 3HD1 LEU 533 3.137 -0.890 2.530 178 3HD1 LEU 533 2HD1 LEU 533 2.716 -2.316 3.480 179 1HD2 LEU 533 3HD2 LEU 533 0.539 0.252 2.753 180 2HD2 LEU 533 2HD2 LEU 533 -0.548 -1.063 3.200 181 3HD2 LEU 533 1HD2 LEU 533 0.972 -0.845 4.067 182 H VAL 534 H VAL 534 4.447 1.093 0.660 183 HA VAL 534 HA VAL 534 5.489 -0.688 -1.429 184 HB VAL 534 HB VAL 534 5.993 1.870 -0.929 185 1HG1 VAL 534 1HG1 VAL 534 7.120 1.543 1.198 186 2HG1 VAL 534 3HG1 VAL 534 8.279 0.503 0.356 187 3HG1 VAL 534 2HG1 VAL 534 8.169 2.196 -0.075 188 1HG2 VAL 534 3HG2 VAL 534 7.482 -0.165 -2.285 189 2HG2 VAL 534 2HG2 VAL 534 7.062 1.450 -2.797 190 3HG2 VAL 534 1HG2 VAL 534 8.483 1.214 -1.784 191 H GLY 535 H GLY 535 5.715 -2.710 -0.690 192 1HA GLY 535 2HA GLY 535 7.245 -3.230 1.840 193 2HA GLY 535 1HA GLY 535 6.105 -4.382 1.129 194 H SER 536 H SER 536 9.082 -4.793 1.623 195 HA SER 536 HA SER 536 10.516 -4.446 -0.889 196 1HB SER 536 2HB SER 536 11.206 -6.435 1.262 197 2HB SER 536 1HB SER 536 12.260 -5.714 0.059 198 HG SER 536 HG SER 536 10.781 -4.079 1.769 199 H ILE 537 H ILE 537 8.947 -5.465 -2.445 200 HA ILE 537 HA ILE 537 9.892 -8.172 -2.642 201 HB ILE 537 HB ILE 537 7.083 -7.888 -3.428 202 1HG1 ILE 537 2HG1 ILE 537 8.020 -8.182 -0.569 203 2HG1 ILE 537 1HG1 ILE 537 7.130 -6.812 -1.202 204 1HG2 ILE 537 1HG2 ILE 537 8.982 -9.991 -2.552 205 2HG2 ILE 537 3HG2 ILE 537 7.286 -10.234 -2.130 206 3HG2 ILE 537 2HG2 ILE 537 7.756 -10.042 -3.820 207 1HD1 ILE 537 1HD1 ILE 537 6.044 -9.630 -1.277 208 2HD1 ILE 537 3HD1 ILE 537 5.730 -8.530 0.060 209 3HD1 ILE 537 2HD1 ILE 537 5.160 -8.131 -1.550 210 H SER 538 H SER 538 9.987 -8.987 -4.704 211 HA SER 538 HA SER 538 10.902 -7.219 -6.653 212 1HB SER 538 2HB SER 538 10.014 -10.000 -6.637 213 2HB SER 538 1HB SER 538 9.676 -9.216 -8.178 214 HG SER 538 HG SER 538 11.777 -10.067 -8.154 215 H GLN 539 H GLN 539 7.564 -8.406 -6.301 216 HA GLN 539 HA GLN 539 6.655 -6.498 -8.370 217 1HB GLN 539 2HB GLN 539 5.800 -8.985 -7.875 218 2HB GLN 539 1HB GLN 539 4.744 -8.126 -6.753 219 1HG GLN 539 2HG GLN 539 4.749 -6.641 -9.171 220 2HG GLN 539 1HG GLN 539 4.519 -8.334 -9.611 221 1HE2 GLN 539 2HE2 GLN 539 1.799 -7.026 -6.831 222 2HE2 GLN 539 1HE2 GLN 539 3.457 -6.775 -6.565 223 H LEU 540 H LEU 540 7.038 -6.710 -4.981 224 HA LEU 540 HA LEU 540 5.015 -4.657 -4.436 225 1HB LEU 540 2HB LEU 540 6.014 -6.824 -3.001 226 2HB LEU 540 1HB LEU 540 6.588 -5.415 -2.162 227 HG LEU 540 HG LEU 540 4.100 -6.674 -1.923 228 1HD1 LEU 540 2HD1 LEU 540 5.708 -4.909 -0.568 229 2HD1 LEU 540 1HD1 LEU 540 4.253 -3.949 -0.873 230 3HD1 LEU 540 3HD1 LEU 540 4.135 -5.488 -0.019 231 1HD2 LEU 540 2HD2 LEU 540 3.429 -5.328 -3.983 232 2HD2 LEU 540 1HD2 LEU 540 2.445 -5.098 -2.545 233 3HD2 LEU 540 3HD2 LEU 540 3.643 -3.883 -2.991 234 H GLY 541 H GLY 541 7.441 -3.952 -5.871 235 1HA GLY 541 2HA GLY 541 9.645 -2.875 -5.259 236 2HA GLY 541 1HA GLY 541 8.471 -1.781 -5.962 237 H ASP 542 H ASP 542 9.129 -3.142 -2.781 238 HA ASP 542 HA ASP 542 8.125 -1.164 -1.031 239 1HB ASP 542 2HB ASP 542 9.550 -3.259 -0.608 240 2HB ASP 542 1HB ASP 542 10.839 -2.176 -0.596 241 H TRP 543 H TRP 543 10.816 -0.994 -3.012 242 HA TRP 543 HA TRP 543 11.647 1.523 -1.728 243 1HB TRP 543 2HB TRP 543 13.441 -0.430 -3.118 244 2HB TRP 543 1HB TRP 543 13.841 0.774 -1.892 245 HD1 TRP 543 HD1 TRP 543 13.260 -2.919 -2.081 246 HE1 TRP 543 HE1 TRP 543 12.804 -3.872 0.199 247 HE3 TRP 543 HE3 TRP 543 11.968 1.350 0.469 248 HZ2 TRP 543 HZ2 TRP 543 11.850 -3.025 2.805 249 HZ3 TRP 543 HZ3 TRP 543 11.270 1.210 2.845 250 HH2 TRP 543 HH2 TRP 543 11.196 -0.989 4.002 251 H GLU 544 H GLU 544 9.774 1.421 -3.556 252 HA GLU 544 HA GLU 544 10.257 3.355 -5.457 253 1HB GLU 544 2HB GLU 544 11.714 1.566 -6.548 254 2HB GLU 544 1HB GLU 544 10.253 0.601 -6.723 255 1HG GLU 544 2HG GLU 544 9.262 2.131 -8.210 256 2HG GLU 544 1HG GLU 544 10.370 3.427 -7.753 257 H THR 545 H THR 545 8.184 3.823 -4.572 258 HA THR 545 HA THR 545 6.146 1.988 -4.138 259 HB THR 545 HB THR 545 4.577 3.821 -4.143 260 HG1 THR 545 HG1 THR 545 6.401 5.413 -5.583 261 1HG2 THR 545 2HG2 THR 545 6.678 3.964 -2.607 262 2HG2 THR 545 1HG2 THR 545 7.111 5.339 -3.620 263 3HG2 THR 545 3HG2 THR 545 5.600 5.351 -2.709 264 H SER 546 H SER 546 7.479 2.837 -7.203 265 HA SER 546 HA SER 546 5.290 2.830 -8.947 266 1HB SER 546 2HB SER 546 7.780 3.040 -9.522 267 2HB SER 546 1HB SER 546 7.831 1.280 -9.489 268 HG SER 546 HG SER 546 6.875 1.262 -11.356 269 H ASP 547 H ASP 547 6.427 0.284 -6.912 270 HA ASP 547 HA ASP 547 4.347 -1.488 -8.050 271 1HB ASP 547 2HB ASP 547 7.206 -2.313 -7.479 272 2HB ASP 547 1HB ASP 547 5.901 -3.417 -7.914 273 H GLY 548 H GLY 548 4.376 0.072 -5.523 274 1HA GLY 548 2HA GLY 548 4.767 -2.002 -3.458 275 2HA GLY 548 1HA GLY 548 4.328 -0.311 -3.164 276 H ILE 549 H ILE 549 2.249 -0.071 -2.526 277 HA ILE 549 HA ILE 549 0.165 -1.444 -4.016 278 HB ILE 549 HB ILE 549 -0.127 -1.815 -1.067 279 1HG1 ILE 549 2HG1 ILE 549 1.262 -3.847 -2.794 280 2HG1 ILE 549 1HG1 ILE 549 2.173 -2.682 -1.849 281 1HG2 ILE 549 2HG2 ILE 549 -1.064 -3.160 -3.586 282 2HG2 ILE 549 1HG2 ILE 549 -1.152 -3.991 -2.029 283 3HG2 ILE 549 3HG2 ILE 549 -2.030 -2.476 -2.277 284 1HD1 ILE 549 1HD1 ILE 549 0.299 -3.659 -0.043 285 2HD1 ILE 549 3HD1 ILE 549 0.783 -5.085 -0.961 286 3HD1 ILE 549 2HD1 ILE 549 1.998 -4.123 -0.119 287 H ALA 550 H ALA 550 -0.621 0.444 -4.634 288 HA ALA 550 HA ALA 550 -1.085 2.730 -2.999 289 1HB ALA 550 1HB ALA 550 -1.229 2.103 -5.683 290 2HB ALA 550 3HB ALA 550 -2.907 2.438 -5.255 291 3HB ALA 550 2HB ALA 550 -1.664 3.652 -4.963 292 H LEU 551 H LEU 551 -3.112 3.641 -2.381 293 HA LEU 551 HA LEU 551 -5.432 1.747 -2.028 294 1HB LEU 551 2HB LEU 551 -4.195 3.622 0.013 295 2HB LEU 551 1HB LEU 551 -5.760 2.849 0.226 296 HG LEU 551 HG LEU 551 -4.360 0.673 -0.296 297 1HD1 LEU 551 2HD1 LEU 551 -2.260 1.909 -0.734 298 2HD1 LEU 551 1HD1 LEU 551 -2.281 2.475 0.936 299 3HD1 LEU 551 3HD1 LEU 551 -2.103 0.756 0.590 300 1HD2 LEU 551 1HD2 LEU 551 -5.609 1.205 1.796 301 2HD2 LEU 551 3HD2 LEU 551 -4.101 0.349 2.115 302 3HD2 LEU 551 2HD2 LEU 551 -4.197 2.091 2.373 303 H SER 552 H SER 552 -7.475 2.776 -2.277 304 HA SER 552 HA SER 552 -7.389 5.726 -2.878 305 1HB SER 552 2HB SER 552 -7.368 3.992 -4.910 306 2HB SER 552 1HB SER 552 -9.101 4.074 -4.597 307 HG SER 552 HG SER 552 -8.641 5.703 -6.006 308 H ALA 553 H ALA 553 -9.929 6.189 -3.775 309 HA ALA 553 HA ALA 553 -11.731 5.407 -1.502 310 1HB ALA 553 1HB ALA 553 -11.544 8.026 -3.044 311 2HB ALA 553 3HB ALA 553 -12.923 7.639 -2.015 312 3HB ALA 553 2HB ALA 553 -11.307 7.781 -1.325 313 H ASP 554 H ASP 554 -12.619 3.585 -2.852 314 HA ASP 554 HA ASP 554 -13.931 4.286 -5.384 315 1HB ASP 554 2HB ASP 554 -14.858 2.022 -5.327 316 2HB ASP 554 1HB ASP 554 -13.145 1.951 -4.933 317 H LYS 555 H LYS 555 -14.694 4.072 -2.006 318 HA LYS 555 HA LYS 555 -17.536 4.825 -2.540 319 1HB LYS 555 2HB LYS 555 -16.893 4.301 0.255 320 2HB LYS 555 1HB LYS 555 -18.097 3.518 -0.767 321 1HG LYS 555 2HG LYS 555 -16.313 2.089 -1.744 322 2HG LYS 555 1HG LYS 555 -15.141 2.844 -0.666 323 1HD LYS 555 2HD LYS 555 -16.500 2.065 1.283 324 2HD LYS 555 1HD LYS 555 -17.552 1.205 0.157 325 1HE LYS 555 2HE LYS 555 -14.912 0.486 -0.553 326 2HE LYS 555 1HE LYS 555 -14.984 0.396 1.208 327 1HZ LYS 555 1HZ LYS 555 -17.221 -0.799 0.735 328 2HZ LYS 555 3HZ LYS 555 -16.542 -1.089 -0.792 329 3HZ LYS 555 2HZ LYS 555 -15.761 -1.658 0.605 330 H TYR 556 H TYR 556 -14.738 5.520 -0.472 331 HA TYR 556 HA TYR 556 -15.616 7.909 0.736 332 1HB TYR 556 2HB TYR 556 -13.057 6.527 0.204 333 2HB TYR 556 1HB TYR 556 -12.974 8.223 0.530 334 HD1 TYR 556 HD2 TYR 556 -15.627 6.184 1.860 335 HD2 TYR 556 HD1 TYR 556 -11.797 7.976 2.733 336 HE1 TYR 556 HE2 TYR 556 -15.960 5.739 4.247 337 HE2 TYR 556 HE1 TYR 556 -12.158 7.567 5.134 338 HH TYR 556 HH TYR 556 -14.428 5.445 6.324 339 H THR 557 H THR 557 -12.958 9.315 -0.486 340 HA THR 557 HA THR 557 -14.414 11.149 -2.191 341 HB THR 557 HB THR 557 -11.467 11.256 -2.393 342 HG1 THR 557 HG1 THR 557 -11.510 12.092 -0.141 343 1HG2 THR 557 2HG2 THR 557 -13.738 13.002 -2.204 344 2HG2 THR 557 1HG2 THR 557 -12.556 13.441 -0.977 345 3HG2 THR 557 3HG2 THR 557 -12.087 13.396 -2.669 346 H SER 558 H SER 558 -12.245 11.585 -4.089 347 HA SER 558 HA SER 558 -12.715 9.275 -5.898 348 1HB SER 558 2HB SER 558 -13.057 11.086 -7.287 349 2HB SER 558 1HB SER 558 -12.014 12.146 -6.341 350 HG SER 558 HG SER 558 -10.890 11.702 -8.164 351 H SER 559 H SER 559 -10.364 11.030 -4.016 352 HA SER 559 HA SER 559 -8.155 9.517 -5.220 353 1HB SER 559 2HB SER 559 -7.434 11.652 -4.685 354 2HB SER 559 1HB SER 559 -8.368 11.722 -3.195 355 HG SER 559 HG SER 559 -6.916 10.283 -2.276 356 H ASP 560 H ASP 560 -8.901 10.064 -1.734 357 HA ASP 560 HA ASP 560 -9.455 7.300 -1.148 358 1HB ASP 560 2HB ASP 560 -7.115 7.246 -2.219 359 2HB ASP 560 1HB ASP 560 -6.565 7.993 -0.742 360 HA PRO 561 HA PRO 561 -8.812 10.072 2.652 361 1HB PRO 561 2HB PRO 561 -11.410 10.087 3.618 362 2HB PRO 561 1HB PRO 561 -10.687 11.334 2.593 363 1HG PRO 561 2HG PRO 561 -12.699 9.324 1.871 364 2HG PRO 561 1HG PRO 561 -12.241 10.775 1.024 365 1HD PRO 561 2HD PRO 561 -11.410 8.075 0.393 366 2HD PRO 561 1HD PRO 561 -10.950 9.555 -0.451 367 H LEU 562 H LEU 562 -10.543 6.976 2.459 368 HA LEU 562 HA LEU 562 -9.640 6.406 5.247 369 1HB LEU 562 2HB LEU 562 -10.876 4.166 4.968 370 2HB LEU 562 1HB LEU 562 -11.840 5.582 5.265 371 HG LEU 562 HG LEU 562 -12.988 5.284 3.316 372 1HD1 LEU 562 1HD1 LEU 562 -10.281 5.260 2.152 373 2HD1 LEU 562 3HD1 LEU 562 -11.445 4.296 1.265 374 3HD1 LEU 562 2HD1 LEU 562 -11.746 6.008 1.551 375 1HD2 LEU 562 3HD2 LEU 562 -11.585 2.761 3.894 376 2HD2 LEU 562 2HD2 LEU 562 -13.307 3.075 3.675 377 3HD2 LEU 562 1HD2 LEU 562 -12.260 2.878 2.268 378 H TRP 563 H TRP 563 -8.650 6.162 2.156 379 HA TRP 563 HA TRP 563 -7.154 4.732 1.088 380 1HB TRP 563 2HB TRP 563 -5.953 4.658 3.792 381 2HB TRP 563 1HB TRP 563 -5.155 4.658 2.240 382 HD1 TRP 563 HD1 TRP 563 -7.082 6.945 4.588 383 HE1 TRP 563 HE1 TRP 563 -6.548 9.422 4.064 384 HE3 TRP 563 HE3 TRP 563 -4.645 6.346 0.158 385 HZ2 TRP 563 HZ2 TRP 563 -5.295 10.912 1.933 386 HZ3 TRP 563 HZ3 TRP 563 -3.899 8.319 -1.104 387 HH2 TRP 563 HH2 TRP 563 -4.200 10.585 -0.232 388 H TYR 564 H TYR 564 -8.666 3.027 0.698 389 HA TYR 564 HA TYR 564 -8.179 0.636 2.442 390 1HB TYR 564 2HB TYR 564 -10.223 -0.288 1.596 391 2HB TYR 564 1HB TYR 564 -10.573 1.405 1.939 392 HD1 TYR 564 HD1 TYR 564 -8.647 2.069 -0.592 393 HD2 TYR 564 HD2 TYR 564 -12.244 -0.141 -0.003 394 HE1 TYR 564 HE1 TYR 564 -9.153 2.440 -2.870 395 HE2 TYR 564 HE2 TYR 564 -12.817 0.215 -2.397 396 HH TYR 564 HH TYR 564 -10.607 1.173 -4.670 397 H VAL 565 H VAL 565 -8.386 -1.518 0.812 398 HA VAL 565 HA VAL 565 -7.472 -1.274 -1.840 399 HB VAL 565 HB VAL 565 -5.480 -0.239 -1.252 400 1HG1 VAL 565 1HG1 VAL 565 -5.788 -0.565 1.199 401 2HG1 VAL 565 3HG1 VAL 565 -5.217 -2.216 1.024 402 3HG1 VAL 565 2HG1 VAL 565 -4.132 -0.875 0.689 403 1HG2 VAL 565 1HG2 VAL 565 -4.869 -3.211 -1.252 404 2HG2 VAL 565 3HG2 VAL 565 -4.978 -2.167 -2.670 405 3HG2 VAL 565 2HG2 VAL 565 -3.676 -1.937 -1.504 406 H THR 566 H THR 566 -6.669 -3.164 -2.787 407 HA THR 566 HA THR 566 -6.468 -5.674 -1.301 408 HB THR 566 HB THR 566 -8.756 -5.314 -3.269 409 HG1 THR 566 HG1 THR 566 -9.897 -5.901 -1.201 410 1HG2 THR 566 1HG2 THR 566 -7.316 -7.612 -2.422 411 2HG2 THR 566 3HG2 THR 566 -8.886 -7.665 -1.619 412 3HG2 THR 566 2HG2 THR 566 -8.799 -7.560 -3.376 413 H VAL 567 H VAL 567 -4.404 -5.690 -2.349 414 HA VAL 567 HA VAL 567 -4.523 -5.962 -5.334 415 HB VAL 567 HB VAL 567 -2.036 -5.302 -3.760 416 1HG1 VAL 567 1HG1 VAL 567 -2.919 -5.328 -6.597 417 2HG1 VAL 567 3HG1 VAL 567 -1.904 -3.968 -6.118 418 3HG1 VAL 567 2HG1 VAL 567 -1.318 -5.618 -5.914 419 1HG2 VAL 567 2HG2 VAL 567 -4.325 -3.517 -4.565 420 2HG2 VAL 567 1HG2 VAL 567 -3.423 -3.545 -3.049 421 3HG2 VAL 567 3HG2 VAL 567 -2.682 -2.879 -4.504 422 H THR 568 H THR 568 -2.503 -7.328 -6.119 423 HA THR 568 HA THR 568 -2.216 -9.690 -4.313 424 HB THR 568 HB THR 568 -2.084 -10.921 -6.664 425 HG1 THR 568 HG1 THR 568 -3.271 -9.930 -8.199 426 1HG2 THR 568 2HG2 THR 568 -3.738 -11.241 -4.769 427 2HG2 THR 568 1HG2 THR 568 -4.758 -10.038 -5.559 428 3HG2 THR 568 3HG2 THR 568 -4.382 -11.552 -6.382 429 H LEU 569 H LEU 569 -0.144 -10.488 -4.139 430 HA LEU 569 HA LEU 569 1.939 -9.216 -5.856 431 1HB LEU 569 2HB LEU 569 2.256 -8.543 -3.561 432 2HB LEU 569 1HB LEU 569 2.063 -10.205 -2.986 433 HG LEU 569 HG LEU 569 4.110 -10.273 -4.946 434 1HD1 LEU 569 2HD1 LEU 569 4.064 -7.735 -3.456 435 2HD1 LEU 569 1HD1 LEU 569 5.580 -8.613 -3.301 436 3HD1 LEU 569 3HD1 LEU 569 4.981 -8.174 -4.894 437 1HD2 LEU 569 2HD2 LEU 569 4.116 -10.394 -1.918 438 2HD2 LEU 569 1HD2 LEU 569 4.015 -11.751 -3.037 439 3HD2 LEU 569 3HD2 LEU 569 5.509 -10.820 -2.915 440 HA PRO 570 HA PRO 570 2.441 -13.468 -7.189 441 1HB PRO 570 2HB PRO 570 4.322 -12.901 -9.111 442 2HB PRO 570 1HB PRO 570 2.580 -12.681 -9.347 443 1HG PRO 570 2HG PRO 570 4.687 -10.621 -8.870 444 2HG PRO 570 1HG PRO 570 3.146 -10.472 -9.731 445 1HD PRO 570 2HD PRO 570 3.651 -9.567 -7.109 446 2HD PRO 570 1HD PRO 570 2.047 -9.774 -7.841 447 H ALA 571 H ALA 571 3.513 -13.837 -5.012 448 HA ALA 571 HA ALA 571 6.303 -14.618 -5.409 449 1HB ALA 571 1HB ALA 571 6.100 -12.075 -4.642 450 2HB ALA 571 3HB ALA 571 5.888 -12.818 -3.058 451 3HB ALA 571 2HB ALA 571 7.356 -13.126 -3.988 452 H GLY 572 H GLY 572 7.076 -15.208 -2.869 453 1HA GLY 572 2HA GLY 572 4.981 -16.245 -1.181 454 2HA GLY 572 1HA GLY 572 5.651 -17.531 -2.184 455 H GLU 573 H GLU 573 6.882 -14.819 -0.190 456 HA GLU 573 HA GLU 573 8.472 -16.638 1.436 457 1HB GLU 573 2HB GLU 573 9.649 -15.767 -0.952 458 2HB GLU 573 1HB GLU 573 10.328 -14.711 0.288 459 1HG GLU 573 2HG GLU 573 10.244 -17.387 1.315 460 2HG GLU 573 1HG GLU 573 11.023 -17.415 -0.267 461 H SER 574 H SER 574 10.378 -14.660 2.278 462 HA SER 574 HA SER 574 8.630 -12.982 3.963 463 1HB SER 574 2HB SER 574 11.663 -12.994 3.734 464 2HB SER 574 1HB SER 574 10.710 -12.271 5.026 465 HG SER 574 HG SER 574 11.624 -14.468 5.363 466 H PHE 575 H PHE 575 8.191 -10.952 3.670 467 HA PHE 575 HA PHE 575 9.565 -9.427 1.479 468 1HB PHE 575 2HB PHE 575 6.606 -9.738 2.056 469 2HB PHE 575 1HB PHE 575 7.290 -8.605 0.902 470 HD1 PHE 575 HD1 PHE 575 9.546 -10.282 -0.178 471 HD2 PHE 575 HD2 PHE 575 5.454 -11.271 0.665 472 HE1 PHE 575 HE1 PHE 575 9.657 -12.134 -1.819 473 HE2 PHE 575 HE2 PHE 575 5.563 -13.122 -0.982 474 HZ PHE 575 HZ PHE 575 7.667 -13.555 -2.218 475 H GLU 576 H GLU 576 9.966 -7.298 2.125 476 HA GLU 576 HA GLU 576 9.300 -6.560 4.890 477 1HB GLU 576 2HB GLU 576 11.064 -5.562 2.864 478 2HB GLU 576 1HB GLU 576 10.257 -4.265 3.730 479 1HG GLU 576 2HG GLU 576 12.289 -4.811 4.920 480 2HG GLU 576 1HG GLU 576 10.944 -5.459 5.860 481 H TYR 577 H TYR 577 8.056 -4.554 5.359 482 HA TYR 577 HA TYR 577 6.165 -3.908 3.191 483 1HB TYR 577 2HB TYR 577 5.530 -5.400 5.659 484 2HB TYR 577 1HB TYR 577 4.385 -4.136 5.199 485 HD1 TYR 577 HD1 TYR 577 6.146 -7.236 3.899 486 HD2 TYR 577 HD2 TYR 577 2.960 -4.363 3.350 487 HE1 TYR 577 HE1 TYR 577 5.197 -8.591 2.061 488 HE2 TYR 577 HE2 TYR 577 2.031 -5.752 1.525 489 HH TYR 577 HH TYR 577 2.084 -7.948 0.677 490 H LYS 578 H LYS 578 7.559 -1.989 3.352 491 HA LYS 578 HA LYS 578 7.112 -0.231 5.662 492 1HB LYS 578 2HB LYS 578 8.717 -0.127 3.142 493 2HB LYS 578 1HB LYS 578 8.232 1.410 3.856 494 1HG LYS 578 2HG LYS 578 9.733 -0.814 5.272 495 2HG LYS 578 1HG LYS 578 10.419 0.721 4.737 496 1HD LYS 578 2HD LYS 578 8.577 1.820 6.187 497 2HD LYS 578 1HD LYS 578 8.407 0.229 6.930 498 1HE LYS 578 2HE LYS 578 11.101 1.565 6.673 499 2HE LYS 578 1HE LYS 578 10.045 1.878 8.050 500 1HZ LYS 578 3HZ LYS 578 9.938 -0.727 8.071 501 2HZ LYS 578 2HZ LYS 578 11.441 -0.581 7.293 502 3HZ LYS 578 1HZ LYS 578 11.207 0.104 8.830 503 H PHE 579 H PHE 579 5.846 1.726 5.497 504 HA PHE 579 HA PHE 579 3.856 1.574 3.254 505 1HB PHE 579 2HB PHE 579 2.994 1.143 5.587 506 2HB PHE 579 1HB PHE 579 3.468 2.793 6.005 507 HD1 PHE 579 HD2 PHE 579 2.711 4.621 4.273 508 HD2 PHE 579 HD1 PHE 579 0.829 0.812 4.780 509 HE1 PHE 579 HE2 PHE 579 0.703 5.493 3.207 510 HE2 PHE 579 HE1 PHE 579 -1.216 1.692 3.683 511 HZ PHE 579 HZ PHE 579 -1.240 4.045 2.898 512 H ILE 580 H ILE 580 3.300 3.338 2.185 513 HA ILE 580 HA ILE 580 4.726 5.820 2.859 514 HB ILE 580 HB ILE 580 5.372 6.135 0.569 515 1HG1 ILE 580 2HG1 ILE 580 3.211 4.169 0.217 516 2HG1 ILE 580 1HG1 ILE 580 3.715 5.514 -0.832 517 1HG2 ILE 580 3HG2 ILE 580 5.782 3.249 1.411 518 2HG2 ILE 580 2HG2 ILE 580 6.669 4.032 0.103 519 3HG2 ILE 580 1HG2 ILE 580 6.851 4.606 1.763 520 1HD1 ILE 580 1HD1 ILE 580 5.774 3.719 -1.124 521 2HD1 ILE 580 3HD1 ILE 580 4.372 2.665 -0.959 522 3HD1 ILE 580 2HD1 ILE 580 4.407 3.887 -2.224 523 H ARG 581 H ARG 581 3.489 7.684 2.657 524 HA ARG 581 HA ARG 581 0.705 7.165 1.704 525 1HB ARG 581 2HB ARG 581 0.570 7.729 4.003 526 2HB ARG 581 1HB ARG 581 1.787 8.987 3.847 527 1HG ARG 581 2HG ARG 581 -0.425 9.518 2.058 528 2HG ARG 581 1HG ARG 581 -1.008 9.304 3.705 529 1HD ARG 581 2HD ARG 581 1.022 10.886 4.300 530 2HD ARG 581 1HD ARG 581 0.852 11.380 2.617 531 HE ARG 581 HE ARG 581 -1.682 11.672 3.365 532 1HH1 ARG 581 2HH1 ARG 581 0.482 11.595 5.923 533 2HH1 ARG 581 1HH1 ARG 581 0.084 13.162 6.539 534 1HH2 ARG 581 1HH2 ARG 581 -1.923 14.008 3.846 535 2HH2 ARG 581 2HH2 ARG 581 -1.274 14.527 5.366 536 H ILE 582 H ILE 582 0.777 7.840 -0.443 537 HA ILE 582 HA ILE 582 2.225 10.321 -1.052 538 HB ILE 582 HB ILE 582 1.313 8.140 -2.647 539 1HG1 ILE 582 2HG1 ILE 582 3.482 9.212 -2.813 540 2HG1 ILE 582 1HG1 ILE 582 2.659 9.399 -4.367 541 1HG2 ILE 582 3HG2 ILE 582 -0.078 10.740 -3.272 542 2HG2 ILE 582 2HG2 ILE 582 0.535 9.768 -4.600 543 3HG2 ILE 582 1HG2 ILE 582 -0.647 9.092 -3.498 544 1HD1 ILE 582 2HD1 ILE 582 1.727 11.600 -3.346 545 2HD1 ILE 582 1HD1 ILE 582 3.049 11.430 -2.193 546 3HD1 ILE 582 3HD1 ILE 582 3.407 11.593 -3.910 547 H GLU 583 H GLU 583 1.435 12.327 -0.926 548 HA GLU 583 HA GLU 583 -1.396 12.668 -0.146 549 1HB GLU 583 2HB GLU 583 0.804 13.787 0.862 550 2HB GLU 583 1HB GLU 583 0.484 14.974 -0.402 551 1HG GLU 583 2HG GLU 583 -1.420 15.738 0.608 552 2HG GLU 583 1HG GLU 583 -1.863 14.140 1.212 553 H SER 584 H SER 584 -2.070 15.119 -1.007 554 HA SER 584 HA SER 584 -2.520 14.706 -3.880 555 1HB SER 584 2HB SER 584 -4.378 15.465 -2.476 556 2HB SER 584 1HB SER 584 -3.455 16.879 -1.980 557 HG SER 584 HG SER 584 -4.970 17.207 -3.751 558 H ASP 585 H ASP 585 -0.180 16.252 -2.005 559 HA ASP 585 HA ASP 585 0.316 18.396 -3.949 560 1HB ASP 585 2HB ASP 585 2.436 18.389 -2.231 561 2HB ASP 585 1HB ASP 585 0.992 19.355 -2.001 562 H ASP 586 H ASP 586 0.613 15.348 -4.362 563 HA ASP 586 HA ASP 586 2.139 13.918 -5.460 564 1HB ASP 586 2HB ASP 586 1.910 15.773 -7.142 565 2HB ASP 586 1HB ASP 586 3.329 16.536 -6.424 566 H SER 587 H SER 587 2.984 13.494 -3.219 567 HA SER 587 HA SER 587 5.883 13.697 -3.145 568 1HB SER 587 2HB SER 587 4.695 15.939 -2.253 569 2HB SER 587 1HB SER 587 4.615 14.965 -0.790 570 HG SER 587 HG SER 587 6.613 15.622 -0.562 571 H VAL 588 H VAL 588 6.147 11.543 -2.467 572 HA VAL 588 HA VAL 588 4.152 10.367 -0.695 573 HB VAL 588 HB VAL 588 6.731 8.967 -1.029 574 1HG1 VAL 588 3HG1 VAL 588 3.788 8.321 -1.222 575 2HG1 VAL 588 2HG1 VAL 588 5.055 7.126 -1.542 576 3HG1 VAL 588 1HG1 VAL 588 4.911 7.855 0.059 577 1HG2 VAL 588 3HG2 VAL 588 5.254 10.061 -3.298 578 2HG2 VAL 588 2HG2 VAL 588 6.847 9.305 -3.236 579 3HG2 VAL 588 1HG2 VAL 588 5.404 8.305 -3.346 580 H GLU 589 H GLU 589 4.165 10.532 1.436 581 HA GLU 589 HA GLU 589 6.663 11.267 2.861 582 1HB GLU 589 2HB GLU 589 5.143 11.343 4.856 583 2HB GLU 589 1HB GLU 589 4.593 12.425 3.572 584 1HG GLU 589 2HG GLU 589 2.662 11.291 3.387 585 2HG GLU 589 1HG GLU 589 3.537 9.760 3.200 586 H TRP 590 H TRP 590 7.375 9.039 1.977 587 HA TRP 590 HA TRP 590 6.329 6.589 2.530 588 1HB TRP 590 2HB TRP 590 9.139 7.571 2.499 589 2HB TRP 590 1HB TRP 590 8.835 5.924 3.060 590 HD1 TRP 590 HD1 TRP 590 6.827 7.736 0.359 591 HE1 TRP 590 HE1 TRP 590 7.011 6.421 -1.842 592 HE3 TRP 590 HE3 TRP 590 10.188 4.168 1.761 593 HZ2 TRP 590 HZ2 TRP 590 8.497 4.173 -2.887 594 HZ3 TRP 590 HZ3 TRP 590 10.903 2.452 0.126 595 HH2 TRP 590 HH2 TRP 590 10.105 2.449 -2.159 596 H GLU 591 H GLU 591 5.073 6.615 4.475 597 HA GLU 591 HA GLU 591 6.074 7.268 7.042 598 1HB GLU 591 2HB GLU 591 3.685 6.873 6.578 599 2HB GLU 591 1HB GLU 591 4.021 5.161 6.320 600 1HG GLU 591 2HG GLU 591 5.198 5.597 8.756 601 2HG GLU 591 1HG GLU 591 3.809 6.680 8.837 602 H SER 592 H SER 592 8.127 6.457 7.273 603 HA SER 592 HA SER 592 8.441 3.512 7.104 604 1HB SER 592 2HB SER 592 9.870 5.027 5.661 605 2HB SER 592 1HB SER 592 10.585 5.656 7.150 606 HG SER 592 HG SER 592 11.587 3.740 5.979 607 H ASP 593 H ASP 593 7.363 5.370 9.314 608 HA ASP 593 HA ASP 593 9.274 5.101 11.497 609 1HB ASP 593 2HB ASP 593 6.695 6.355 11.076 610 2HB ASP 593 1HB ASP 593 6.685 5.422 12.573 611 HA PRO 594 HA PRO 594 6.444 1.473 12.764 612 1HB PRO 594 2HB PRO 594 4.301 0.882 11.140 613 2HB PRO 594 1HB PRO 594 4.200 1.983 12.525 614 1HG PRO 594 2HG PRO 594 4.305 2.634 9.606 615 2HG PRO 594 1HG PRO 594 3.516 3.517 10.925 616 1HD PRO 594 2HD PRO 594 5.956 4.238 9.761 617 2HD PRO 594 1HD PRO 594 5.381 4.776 11.357 618 H ASN 595 H ASN 595 5.574 -0.748 11.289 619 HA ASN 595 HA ASN 595 6.886 -1.067 8.761 620 1HB ASN 595 2HB ASN 595 8.831 -2.385 9.413 621 2HB ASN 595 1HB ASN 595 8.913 -0.805 10.191 622 1HD2 ASN 595 2HD2 ASN 595 9.227 -3.897 12.570 623 2HD2 ASN 595 1HD2 ASN 595 9.727 -3.799 10.950 624 H ARG 596 H ARG 596 6.640 -3.198 7.916 625 HA ARG 596 HA ARG 596 5.248 -5.168 9.660 626 1HB ARG 596 2HB ARG 596 4.116 -3.717 7.359 627 2HB ARG 596 1HB ARG 596 3.935 -5.468 7.256 628 1HG ARG 596 2HG ARG 596 3.322 -4.151 9.869 629 2HG ARG 596 1HG ARG 596 2.154 -3.974 8.559 630 1HD ARG 596 2HD ARG 596 1.458 -6.108 8.778 631 2HD ARG 596 1HD ARG 596 3.114 -6.715 8.769 632 HE ARG 596 HE ARG 596 2.493 -5.483 11.304 633 1HH1 ARG 596 1HH2 ARG 596 3.280 -8.345 9.793 634 2HH1 ARG 596 2HH2 ARG 596 2.487 -9.384 10.929 635 1HH2 ARG 596 2HH1 ARG 596 0.904 -6.789 12.598 636 2HH2 ARG 596 1HH1 ARG 596 1.141 -8.503 12.517 637 H GLU 597 H GLU 597 5.316 -7.375 8.690 638 HA GLU 597 HA GLU 597 7.342 -7.684 6.528 639 1HB GLU 597 2HB GLU 597 8.387 -9.547 7.884 640 2HB GLU 597 1HB GLU 597 8.645 -7.932 8.544 641 1HG GLU 597 2HG GLU 597 7.579 -8.480 10.448 642 2HG GLU 597 1HG GLU 597 6.164 -9.024 9.546 643 H TYR 598 H TYR 598 5.464 -8.301 5.236 644 HA TYR 598 HA TYR 598 3.746 -10.471 6.004 645 1HB TYR 598 2HB TYR 598 3.552 -8.545 4.177 646 2HB TYR 598 1HB TYR 598 4.255 -9.794 3.148 647 HD1 TYR 598 HD1 TYR 598 3.162 -12.086 3.117 648 HD2 TYR 598 HD2 TYR 598 1.282 -8.590 4.744 649 HE1 TYR 598 HE1 TYR 598 0.967 -13.185 2.876 650 HE2 TYR 598 HE2 TYR 598 -0.926 -9.694 4.554 651 HH TYR 598 HH TYR 598 -1.390 -12.510 2.674 652 H THR 599 H THR 599 4.721 -12.437 6.358 653 HA THR 599 HA THR 599 6.858 -13.352 4.523 654 HB THR 599 HB THR 599 6.604 -15.450 6.108 655 HG1 THR 599 HG1 THR 599 4.628 -14.262 6.967 656 1HG2 THR 599 1HG2 THR 599 8.007 -12.911 6.333 657 2HG2 THR 599 3HG2 THR 599 7.740 -13.647 7.913 658 3HG2 THR 599 2HG2 THR 599 8.592 -14.543 6.655 659 H VAL 600 H VAL 600 5.195 -13.301 2.729 660 HA VAL 600 HA VAL 600 2.927 -15.036 2.787 661 HB VAL 600 HB VAL 600 4.272 -14.683 0.157 662 1HG1 VAL 600 2HG1 VAL 600 1.696 -15.200 1.269 663 2HG1 VAL 600 1HG1 VAL 600 1.627 -13.740 0.283 664 3HG1 VAL 600 3HG1 VAL 600 2.197 -15.251 -0.425 665 1HG2 VAL 600 1HG2 VAL 600 4.370 -12.423 1.616 666 2HG2 VAL 600 3HG2 VAL 600 3.963 -12.419 -0.093 667 3HG2 VAL 600 2HG2 VAL 600 2.681 -12.354 1.109 668 HA PRO 601 HA PRO 601 5.389 -18.772 2.573 669 1HB PRO 601 2HB PRO 601 3.282 -20.460 3.092 670 2HB PRO 601 1HB PRO 601 4.161 -19.576 4.352 671 1HG PRO 601 2HG PRO 601 1.446 -19.050 3.237 672 2HG PRO 601 1HG PRO 601 2.101 -18.648 4.833 673 1HD PRO 601 2HD PRO 601 1.788 -16.851 2.667 674 2HD PRO 601 1HD PRO 601 2.730 -16.555 4.144 675 H GLN 602 H GLN 602 5.761 -20.146 0.825 676 HA GLN 602 HA GLN 602 4.053 -19.808 -1.542 677 1HB GLN 602 2HB GLN 602 6.688 -20.033 -1.385 678 2HB GLN 602 1HB GLN 602 6.327 -21.758 -1.439 679 1HG GLN 602 2HG GLN 602 5.021 -21.420 -3.509 680 2HG GLN 602 1HG GLN 602 5.399 -19.698 -3.462 681 1HE2 GLN 602 2HE2 GLN 602 9.003 -20.479 -4.000 682 2HE2 GLN 602 1HE2 GLN 602 8.103 -19.669 -2.810 683 H ALA 603 H ALA 603 2.119 -20.884 -0.779 684 HA ALA 603 HA ALA 603 2.292 -23.828 -1.083 685 1HB ALA 603 1HB ALA 603 0.985 -22.455 1.287 686 2HB ALA 603 3HB ALA 603 0.872 -24.178 0.925 687 3HB ALA 603 2HB ALA 603 2.430 -23.464 1.343 688 H CYS 604 H CYS 604 -0.116 -24.697 -1.029 689 HA CYS 604 HA CYS 604 -1.551 -23.238 -3.084 690 1HB CYS 604 2HB CYS 604 -2.646 -25.510 -1.415 691 2HB CYS 604 1HB CYS 604 -3.095 -25.059 -3.059 692 H GLY 605 H GLY 605 -1.443 -22.994 0.301 693 1HA GLY 605 2HA GLY 605 -3.907 -21.317 0.244 694 2HA GLY 605 1HA GLY 605 -3.703 -22.510 1.528 695 H THR 606 H THR 606 -3.950 -20.129 2.569 696 HA THR 606 HA THR 606 -2.898 -18.510 3.901 697 HB THR 606 HB THR 606 -0.296 -19.978 3.626 698 HG1 THR 606 HG1 THR 606 -1.348 -21.300 5.414 699 1HG2 THR 606 2HG2 THR 606 -1.220 -17.939 5.233 700 2HG2 THR 606 1HG2 THR 606 -1.427 -19.355 6.263 701 3HG2 THR 606 3HG2 THR 606 0.162 -18.971 5.601 702 H SER 607 H SER 607 -3.045 -17.929 1.159 703 HA SER 607 HA SER 607 -0.443 -16.519 0.719 704 1HB SER 607 2HB SER 607 -0.833 -16.732 -1.694 705 2HB SER 607 1HB SER 607 -0.835 -18.324 -0.941 706 HG SER 607 HG SER 607 -2.843 -16.958 -2.205 707 H THR 608 H THR 608 -3.044 -15.704 2.061 708 HA THR 608 HA THR 608 -3.216 -13.057 0.801 709 HB THR 608 HB THR 608 -5.391 -13.152 -0.021 710 HG1 THR 608 HG1 THR 608 -6.965 -14.305 0.920 711 1HG2 THR 608 3HG2 THR 608 -4.429 -16.016 -0.197 712 2HG2 THR 608 2HG2 THR 608 -5.827 -15.400 -1.075 713 3HG2 THR 608 1HG2 THR 608 -4.225 -14.744 -1.402 714 H ALA 609 H ALA 609 -3.180 -11.744 2.552 715 HA ALA 609 HA ALA 609 -4.946 -12.513 4.854 716 1HB ALA 609 1HB ALA 609 -2.458 -13.187 5.194 717 2HB ALA 609 3HB ALA 609 -2.191 -11.461 5.434 718 3HB ALA 609 2HB ALA 609 -3.289 -12.340 6.498 719 H THR 610 H THR 610 -4.288 -10.474 6.609 720 HA THR 610 HA THR 610 -5.286 -8.103 5.098 721 HB THR 610 HB THR 610 -6.034 -7.268 7.270 722 HG1 THR 610 HG1 THR 610 -5.004 -9.662 8.366 723 1HG2 THR 610 3HG2 THR 610 -6.840 -9.827 6.148 724 2HG2 THR 610 2HG2 THR 610 -7.174 -9.746 7.878 725 3HG2 THR 610 1HG2 THR 610 -7.841 -8.526 6.793 726 H VAL 611 H VAL 611 -4.586 -5.992 6.035 727 HA VAL 611 HA VAL 611 -1.831 -5.849 7.057 728 HB VAL 611 HB VAL 611 -2.293 -4.484 4.459 729 1HG1 VAL 611 2HG1 VAL 611 -0.039 -5.456 6.046 730 2HG1 VAL 611 1HG1 VAL 611 0.093 -5.906 4.331 731 3HG1 VAL 611 3HG1 VAL 611 -0.057 -4.200 4.805 732 1HG2 VAL 611 3HG2 VAL 611 -3.187 -6.786 4.094 733 2HG2 VAL 611 2HG2 VAL 611 -1.805 -6.362 3.073 734 3HG2 VAL 611 1HG2 VAL 611 -1.573 -7.395 4.499 735 H THR 612 H THR 612 -3.704 -4.801 8.518 736 HA THR 612 HA THR 612 -4.616 -2.185 7.520 737 HB THR 612 HB THR 612 -5.498 -2.262 10.069 738 HG1 THR 612 HG1 THR 612 -6.217 -4.705 9.844 739 1HG2 THR 612 1HG2 THR 612 -6.621 -3.392 7.526 740 2HG2 THR 612 3HG2 THR 612 -7.568 -3.298 9.013 741 3HG2 THR 612 2HG2 THR 612 -6.927 -1.826 8.279 742 H ASP 613 H ASP 613 -4.302 -0.230 8.468 743 HA ASP 613 HA ASP 613 -2.694 0.119 10.802 744 1HB ASP 613 2HB ASP 613 -1.447 0.473 8.099 745 2HB ASP 613 1HB ASP 613 -0.974 1.567 9.399 746 H THR 614 H THR 614 -1.902 2.766 10.493 747 HA THR 614 HA THR 614 -3.932 4.377 9.194 748 HB THR 614 HB THR 614 -5.510 4.250 10.794 749 HG1 THR 614 HG1 THR 614 -3.822 5.486 12.647 750 1HG2 THR 614 1HG2 THR 614 -3.326 2.940 12.353 751 2HG2 THR 614 3HG2 THR 614 -4.725 3.547 13.241 752 3HG2 THR 614 2HG2 THR 614 -4.943 2.351 11.963 753 H TRP 615 H TRP 615 -3.679 6.623 9.631 754 HA TRP 615 HA TRP 615 -0.831 7.211 9.775 755 1HB TRP 615 2HB TRP 615 -3.156 8.275 8.468 756 2HB TRP 615 1HB TRP 615 -2.295 9.567 9.312 757 HD1 TRP 615 HD1 TRP 615 -1.134 10.545 7.245 758 HE1 TRP 615 HE1 TRP 615 0.853 9.773 5.789 759 HE3 TRP 615 HE3 TRP 615 -1.088 5.715 8.517 760 HZ2 TRP 615 HZ2 TRP 615 2.267 7.347 5.265 761 HZ3 TRP 615 HZ3 TRP 615 0.554 4.148 7.578 762 HH2 TRP 615 HH2 TRP 615 2.202 4.948 5.969 763 H ARG 616 H ARG 616 0.182 8.576 11.174 764 HA ARG 616 HA ARG 616 -1.281 9.082 13.718 765 1HB ARG 616 2HB ARG 616 1.173 8.051 13.347 766 2HB ARG 616 1HB ARG 616 1.607 9.759 13.422 767 1HG ARG 616 2HG ARG 616 0.020 9.759 15.530 768 2HG ARG 616 1HG ARG 616 0.363 8.029 15.532 769 1HD ARG 616 2HD ARG 616 2.396 8.393 16.422 770 2HD ARG 616 1HD ARG 616 2.810 9.483 15.099 771 HE ARG 616 HE ARG 616 1.117 10.892 16.898 772 1HH1 ARG 616 1HH1 ARG 616 3.190 9.139 18.514 773 2HH1 ARG 616 2HH1 ARG 616 4.372 10.357 18.858 774 1HH2 ARG 616 1HH2 ARG 616 3.095 12.619 16.560 775 2HH2 ARG 616 2HH2 ARG 616 4.318 12.328 17.752 No H/Q in entry = 775 Start of MODEL 2 1 1H CYS 509 1H CYS 509 15.948 21.264 4.484 2 2H CYS 509 3H CYS 509 16.914 21.077 5.865 3 3H CYS 509 2H CYS 509 16.707 19.776 4.793 4 HA CYS 509 HA CYS 509 14.782 19.153 5.696 5 1HB CYS 509 2HB CYS 509 15.577 21.172 7.816 6 2HB CYS 509 1HB CYS 509 14.546 19.760 8.050 7 H THR 510 H THR 510 12.695 19.609 5.189 8 HA THR 510 HA THR 510 11.751 22.423 5.482 9 HB THR 510 HB THR 510 11.160 20.650 3.093 10 HG1 THR 510 HG1 THR 510 12.799 22.954 3.296 11 1HG2 THR 510 1HG2 THR 510 9.957 23.043 4.164 12 2HG2 THR 510 3HG2 THR 510 10.669 23.385 2.587 13 3HG2 THR 510 2HG2 THR 510 9.475 22.098 2.755 14 H THR 511 H THR 511 10.653 19.103 4.693 15 HA THR 511 HA THR 511 8.396 19.550 6.604 16 HB THR 511 HB THR 511 7.477 17.664 4.774 17 HG1 THR 511 HG1 THR 511 8.801 18.040 3.154 18 1HG2 THR 511 1HG2 THR 511 7.034 20.618 5.154 19 2HG2 THR 511 3HG2 THR 511 6.147 19.722 3.921 20 3HG2 THR 511 2HG2 THR 511 5.988 19.277 5.621 21 HA PRO 512 HA PRO 512 10.780 15.772 7.741 22 1HB PRO 512 2HB PRO 512 11.105 16.493 10.374 23 2HB PRO 512 1HB PRO 512 12.242 16.937 9.090 24 1HG PRO 512 2HG PRO 512 10.230 18.639 10.486 25 2HG PRO 512 1HG PRO 512 11.749 19.110 9.706 26 1HD PRO 512 2HD PRO 512 9.159 19.418 8.608 27 2HD PRO 512 1HD PRO 512 10.693 19.568 7.723 28 H THR 513 H THR 513 7.787 17.069 8.270 29 HA THR 513 HA THR 513 6.985 15.051 10.305 30 HB THR 513 HB THR 513 4.799 16.323 10.262 31 HG1 THR 513 HG1 THR 513 4.609 17.554 8.583 32 1HG2 THR 513 2HG2 THR 513 7.435 17.341 11.133 33 2HG2 THR 513 1HG2 THR 513 6.147 18.544 11.079 34 3HG2 THR 513 3HG2 THR 513 5.958 17.094 12.064 35 H ALA 514 H ALA 514 6.193 16.156 7.012 36 HA ALA 514 HA ALA 514 4.273 13.993 6.592 37 1HB ALA 514 3HB ALA 514 5.479 16.142 4.866 38 2HB ALA 514 2HB ALA 514 4.567 14.822 4.135 39 3HB ALA 514 1HB ALA 514 3.788 15.892 5.301 40 H VAL 515 H VAL 515 4.889 11.919 6.152 41 HA VAL 515 HA VAL 515 7.614 11.528 5.055 42 HB VAL 515 HB VAL 515 5.865 9.865 6.794 43 1HG1 VAL 515 1HG1 VAL 515 7.553 8.832 4.566 44 2HG1 VAL 515 3HG1 VAL 515 7.863 8.106 6.146 45 3HG1 VAL 515 2HG1 VAL 515 6.240 8.044 5.455 46 1HG2 VAL 515 3HG2 VAL 515 8.581 11.046 6.721 47 2HG2 VAL 515 2HG2 VAL 515 7.495 10.810 8.084 48 3HG2 VAL 515 1HG2 VAL 515 8.462 9.461 7.482 49 H ALA 516 H ALA 516 7.688 11.247 2.918 50 HA ALA 516 HA ALA 516 5.333 10.047 1.543 51 1HB ALA 516 3HB ALA 516 7.800 11.404 0.403 52 2HB ALA 516 2HB ALA 516 6.433 10.810 -0.543 53 3HB ALA 516 1HB ALA 516 6.212 12.151 0.584 54 H VAL 517 H VAL 517 5.511 7.805 1.595 55 HA VAL 517 HA VAL 517 8.258 6.745 1.045 56 HB VAL 517 HB VAL 517 6.332 4.789 1.994 57 1HG1 VAL 517 1HG1 VAL 517 8.768 4.504 1.847 58 2HG1 VAL 517 3HG1 VAL 517 8.978 5.760 3.069 59 3HG1 VAL 517 2HG1 VAL 517 8.166 4.244 3.490 60 1HG2 VAL 517 3HG2 VAL 517 5.560 6.898 3.231 61 2HG2 VAL 517 2HG2 VAL 517 5.975 5.475 4.198 62 3HG2 VAL 517 1HG2 VAL 517 7.115 6.823 4.068 63 H THR 518 H THR 518 8.455 5.402 -0.754 64 HA THR 518 HA THR 518 5.989 5.053 -2.380 65 HB THR 518 HB THR 518 7.441 4.747 -4.270 66 HG1 THR 518 HG1 THR 518 9.545 4.265 -4.065 67 1HG2 THR 518 2HG2 THR 518 7.256 7.083 -3.207 68 2HG2 THR 518 1HG2 THR 518 8.892 6.807 -2.611 69 3HG2 THR 518 3HG2 THR 518 8.578 6.825 -4.346 70 H PHE 519 H PHE 519 5.101 3.083 -2.519 71 HA PHE 519 HA PHE 519 6.690 0.762 -1.529 72 1HB PHE 519 2HB PHE 519 3.711 0.556 -1.690 73 2HB PHE 519 1HB PHE 519 4.818 -0.160 -0.534 74 HD1 PHE 519 HD1 PHE 519 3.577 3.230 -1.594 75 HD2 PHE 519 HD2 PHE 519 4.929 0.694 1.576 76 HE1 PHE 519 HE1 PHE 519 3.174 5.058 0.021 77 HE2 PHE 519 HE2 PHE 519 4.541 2.535 3.207 78 HZ PHE 519 HZ PHE 519 3.664 4.697 2.411 79 H ASP 520 H ASP 520 6.502 -1.198 -2.692 80 HA ASP 520 HA ASP 520 5.228 -0.939 -5.365 81 1HB ASP 520 2HB ASP 520 8.033 -1.681 -4.636 82 2HB ASP 520 1HB ASP 520 7.277 -2.560 -5.958 83 H LEU 521 H LEU 521 4.368 -2.979 -6.132 84 HA LEU 521 HA LEU 521 4.693 -5.364 -4.485 85 1HB LEU 521 2HB LEU 521 3.168 -4.420 -2.989 86 2HB LEU 521 1HB LEU 521 2.286 -3.587 -4.263 87 HG LEU 521 HG LEU 521 1.092 -5.490 -4.867 88 1HD1 LEU 521 1HD1 LEU 521 3.558 -6.866 -4.003 89 2HD1 LEU 521 3HD1 LEU 521 2.062 -7.764 -3.706 90 3HD1 LEU 521 2HD1 LEU 521 2.467 -7.233 -5.354 91 1HD2 LEU 521 3HD2 LEU 521 1.465 -5.010 -2.037 92 2HD2 LEU 521 2HD2 LEU 521 0.001 -5.442 -2.916 93 3HD2 LEU 521 1HD2 LEU 521 1.062 -6.708 -2.324 94 H THR 522 H THR 522 5.214 -6.383 -6.451 95 HA THR 522 HA THR 522 3.301 -6.202 -8.668 96 HB THR 522 HB THR 522 5.649 -8.053 -8.203 97 HG1 THR 522 HG1 THR 522 6.430 -6.118 -8.716 98 1HG2 THR 522 3HG2 THR 522 3.463 -8.207 -10.122 99 2HG2 THR 522 2HG2 THR 522 5.027 -8.050 -10.922 100 3HG2 THR 522 1HG2 THR 522 4.744 -9.373 -9.790 101 H ALA 523 H ALA 523 1.363 -7.319 -8.837 102 HA ALA 523 HA ALA 523 1.258 -10.075 -7.838 103 1HB ALA 523 1HB ALA 523 0.889 -8.249 -5.919 104 2HB ALA 523 3HB ALA 523 -0.765 -8.424 -6.475 105 3HB ALA 523 2HB ALA 523 0.119 -9.849 -5.867 106 H THR 524 H THR 524 0.486 -8.685 -10.307 107 HA THR 524 HA THR 524 -1.242 -8.784 -11.894 108 HB THR 524 HB THR 524 -0.880 -11.220 -10.974 109 HG1 THR 524 HG1 THR 524 -1.708 -10.606 -13.033 110 1HG2 THR 524 3HG2 THR 524 -3.093 -10.293 -9.412 111 2HG2 THR 524 2HG2 THR 524 -3.677 -11.553 -10.506 112 3HG2 THR 524 1HG2 THR 524 -2.343 -11.891 -9.404 113 H THR 525 H THR 525 -3.557 -8.655 -12.318 114 HA THR 525 HA THR 525 -5.276 -7.797 -10.029 115 HB THR 525 HB THR 525 -4.280 -5.748 -11.268 116 HG1 THR 525 HG1 THR 525 -6.144 -4.679 -10.907 117 1HG2 THR 525 2HG2 THR 525 -5.384 -7.107 -13.493 118 2HG2 THR 525 1HG2 THR 525 -6.361 -5.663 -13.228 119 3HG2 THR 525 3HG2 THR 525 -4.624 -5.519 -13.467 120 H THR 526 H THR 526 -7.626 -7.366 -11.038 121 HA THR 526 HA THR 526 -8.104 -9.643 -12.885 122 HB THR 526 HB THR 526 -9.177 -10.030 -10.726 123 HG1 THR 526 HG1 THR 526 -11.332 -9.162 -12.252 124 1HG2 THR 526 2HG2 THR 526 -10.081 -7.210 -11.139 125 2HG2 THR 526 1HG2 THR 526 -11.112 -8.303 -10.215 126 3HG2 THR 526 3HG2 THR 526 -9.462 -7.986 -9.683 127 H TYR 527 H TYR 527 -7.314 -7.171 -13.663 128 HA TYR 527 HA TYR 527 -7.771 -5.484 -15.194 129 1HB TYR 527 2HB TYR 527 -8.530 -7.889 -16.150 130 2HB TYR 527 1HB TYR 527 -10.070 -7.054 -16.193 131 HD1 TYR 527 HD2 TYR 527 -10.163 -4.760 -17.403 132 HD2 TYR 527 HD1 TYR 527 -6.887 -7.545 -17.827 133 HE1 TYR 527 HE2 TYR 527 -9.469 -3.637 -19.503 134 HE2 TYR 527 HE1 TYR 527 -6.214 -6.416 -19.935 135 HH TYR 527 HH TYR 527 -6.830 -4.919 -21.494 136 H GLY 528 H GLY 528 -8.953 -5.148 -12.631 137 1HA GLY 528 2HA GLY 528 -10.659 -2.979 -12.971 138 2HA GLY 528 1HA GLY 528 -11.738 -4.368 -12.868 139 H GLU 529 H GLU 529 -9.134 -2.660 -11.057 140 HA GLU 529 HA GLU 529 -10.470 -2.775 -8.565 141 1HB GLU 529 2HB GLU 529 -9.008 -4.644 -7.526 142 2HB GLU 529 1HB GLU 529 -10.375 -5.132 -8.518 143 1HG GLU 529 2HG GLU 529 -9.037 -6.080 -10.068 144 2HG GLU 529 1HG GLU 529 -7.965 -4.680 -10.098 145 H ASN 530 H ASN 530 -9.087 -2.126 -6.701 146 HA ASN 530 HA ASN 530 -6.431 -0.983 -7.593 147 1HB ASN 530 2HB ASN 530 -8.161 0.706 -6.925 148 2HB ASN 530 1HB ASN 530 -8.197 -0.036 -5.331 149 1HD2 ASN 530 2HD2 ASN 530 -4.803 1.081 -4.552 150 2HD2 ASN 530 1HD2 ASN 530 -5.723 -0.323 -4.422 151 H ILE 531 H ILE 531 -4.623 -1.423 -6.299 152 HA ILE 531 HA ILE 531 -5.202 -3.371 -4.099 153 HB ILE 531 HB ILE 531 -3.795 -3.899 -6.314 154 1HG1 ILE 531 2HG1 ILE 531 -2.614 -4.982 -3.845 155 2HG1 ILE 531 1HG1 ILE 531 -4.297 -5.307 -4.189 156 1HG2 ILE 531 1HG2 ILE 531 -1.812 -2.692 -4.405 157 2HG2 ILE 531 3HG2 ILE 531 -1.346 -3.826 -5.660 158 3HG2 ILE 531 2HG2 ILE 531 -2.073 -2.274 -6.079 159 1HD1 ILE 531 1HD1 ILE 531 -2.222 -5.697 -6.319 160 2HD1 ILE 531 3HD1 ILE 531 -2.513 -6.948 -5.103 161 3HD1 ILE 531 2HD1 ILE 531 -3.827 -6.429 -6.159 162 H TYR 532 H TYR 532 -5.039 -2.390 -2.211 163 HA TYR 532 HA TYR 532 -3.484 0.081 -1.983 164 1HB TYR 532 2HB TYR 532 -5.800 -1.135 -0.756 165 2HB TYR 532 1HB TYR 532 -4.765 -0.238 0.358 166 HD1 TYR 532 HD1 TYR 532 -6.489 -0.069 -2.912 167 HD2 TYR 532 HD2 TYR 532 -4.591 2.036 0.348 168 HE1 TYR 532 HE1 TYR 532 -7.509 2.086 -3.702 169 HE2 TYR 532 HE2 TYR 532 -5.600 4.193 -0.459 170 HH TYR 532 HH TYR 532 -7.984 4.256 -3.046 171 H LEU 533 H LEU 533 -3.066 0.576 0.431 172 HA LEU 533 HA LEU 533 -1.353 -1.518 1.593 173 1HB LEU 533 2HB LEU 533 -0.189 0.361 0.185 174 2HB LEU 533 1HB LEU 533 -0.517 1.340 1.610 175 HG LEU 533 HG LEU 533 1.716 0.344 1.751 176 1HD1 LEU 533 1HD1 LEU 533 0.246 0.696 3.789 177 2HD1 LEU 533 3HD1 LEU 533 -0.193 -1.013 3.675 178 3HD1 LEU 533 2HD1 LEU 533 1.482 -0.555 3.981 179 1HD2 LEU 533 1HD2 LEU 533 0.260 -1.913 0.726 180 2HD2 LEU 533 3HD2 LEU 533 2.007 -1.721 0.908 181 3HD2 LEU 533 2HD2 LEU 533 1.047 -2.373 2.240 182 H VAL 534 H VAL 534 -3.112 -1.744 3.218 183 HA VAL 534 HA VAL 534 -3.329 0.625 5.020 184 HB VAL 534 HB VAL 534 -5.376 -0.750 3.988 185 1HG1 VAL 534 1HG1 VAL 534 -4.539 -2.805 5.328 186 2HG1 VAL 534 3HG1 VAL 534 -5.271 -1.926 6.691 187 3HG1 VAL 534 2HG1 VAL 534 -6.254 -2.366 5.292 188 1HG2 VAL 534 3HG2 VAL 534 -5.165 1.084 5.982 189 2HG2 VAL 534 2HG2 VAL 534 -6.660 0.464 5.292 190 3HG2 VAL 534 1HG2 VAL 534 -5.998 -0.282 6.766 191 H GLY 535 H GLY 535 -2.230 0.585 6.763 192 1HA GLY 535 2HA GLY 535 -1.370 -1.840 8.236 193 2HA GLY 535 1HA GLY 535 -0.229 -0.531 7.925 194 H SER 536 H SER 536 -0.104 1.058 9.710 195 HA SER 536 HA SER 536 -2.655 1.350 11.263 196 1HB SER 536 2HB SER 536 -1.119 -0.254 12.448 197 2HB SER 536 1HB SER 536 -0.001 1.078 12.679 198 HG SER 536 HG SER 536 -1.485 0.767 14.430 199 H ILE 537 H ILE 537 -2.793 3.544 10.214 200 HA ILE 537 HA ILE 537 -1.479 5.443 11.842 201 HB ILE 537 HB ILE 537 -1.010 5.363 8.922 202 1HG1 ILE 537 2HG1 ILE 537 0.536 4.184 10.432 203 2HG1 ILE 537 1HG1 ILE 537 1.314 5.555 9.659 204 1HG2 ILE 537 3HG2 ILE 537 -1.504 7.705 10.434 205 2HG2 ILE 537 2HG2 ILE 537 0.248 7.577 10.258 206 3HG2 ILE 537 1HG2 ILE 537 -0.780 7.613 8.825 207 1HD1 ILE 537 3HD1 ILE 537 -0.025 6.307 12.153 208 2HD1 ILE 537 2HD1 ILE 537 1.241 5.107 12.397 209 3HD1 ILE 537 1HD1 ILE 537 1.613 6.644 11.617 210 H SER 538 H SER 538 -2.497 7.313 12.211 211 HA SER 538 HA SER 538 -5.355 7.162 11.632 212 1HB SER 538 2HB SER 538 -3.781 9.404 12.943 213 2HB SER 538 1HB SER 538 -5.536 9.246 12.951 214 HG SER 538 HG SER 538 -3.750 7.264 13.920 215 H GLN 539 H GLN 539 -2.731 9.044 10.291 216 HA GLN 539 HA GLN 539 -4.576 10.674 8.671 217 1HB GLN 539 2HB GLN 539 -2.200 11.400 9.594 218 2HB GLN 539 1HB GLN 539 -1.609 10.520 8.183 219 1HG GLN 539 2HG GLN 539 -3.735 12.672 8.040 220 2HG GLN 539 1HG GLN 539 -2.023 12.978 7.769 221 1HE2 GLN 539 2HE2 GLN 539 -2.176 10.606 4.846 222 2HE2 GLN 539 1HE2 GLN 539 -1.364 10.571 6.336 223 H LEU 540 H LEU 540 -2.826 7.772 8.743 224 HA LEU 540 HA LEU 540 -3.663 7.131 6.011 225 1HB LEU 540 2HB LEU 540 -1.111 7.361 6.277 226 2HB LEU 540 1HB LEU 540 -1.236 5.973 7.341 227 HG LEU 540 HG LEU 540 -2.663 5.458 4.898 228 1HD1 LEU 540 3HD1 LEU 540 -0.444 7.120 4.516 229 2HD1 LEU 540 2HD1 LEU 540 0.147 5.497 4.152 230 3HD1 LEU 540 1HD1 LEU 540 -1.245 6.144 3.287 231 1HD2 LEU 540 2HD2 LEU 540 -0.813 4.172 6.757 232 2HD2 LEU 540 1HD2 LEU 540 -1.979 3.434 5.658 233 3HD2 LEU 540 3HD2 LEU 540 -0.359 3.824 5.082 234 H GLY 541 H GLY 541 -5.548 6.551 7.279 235 1HA GLY 541 2HA GLY 541 -6.189 5.246 9.444 236 2HA GLY 541 1HA GLY 541 -6.847 4.604 7.936 237 H ASP 542 H ASP 542 -4.896 3.586 6.737 238 HA ASP 542 HA ASP 542 -3.499 1.746 6.521 239 1HB ASP 542 2HB ASP 542 -2.657 3.434 8.527 240 2HB ASP 542 1HB ASP 542 -2.646 1.922 9.326 241 H TRP 543 H TRP 543 -6.177 1.759 8.614 242 HA TRP 543 HA TRP 543 -6.256 -1.186 8.680 243 1HB TRP 543 2HB TRP 543 -7.056 0.574 11.001 244 2HB TRP 543 1HB TRP 543 -7.475 -1.134 10.831 245 HD1 TRP 543 HD1 TRP 543 -5.074 0.817 12.529 246 HE1 TRP 543 HE1 TRP 543 -2.846 -0.379 12.853 247 HE3 TRP 543 HE3 TRP 543 -5.682 -3.017 9.239 248 HZ2 TRP 543 HZ2 TRP 543 -1.450 -2.634 11.762 249 HZ3 TRP 543 HZ3 TRP 543 -3.886 -4.693 8.909 250 HH2 TRP 543 HH2 TRP 543 -1.768 -4.515 10.193 251 H GLU 544 H GLU 544 -7.286 1.194 7.247 252 HA GLU 544 HA GLU 544 -9.947 0.236 6.668 253 1HB GLU 544 2HB GLU 544 -10.480 1.862 8.500 254 2HB GLU 544 1HB GLU 544 -9.502 3.075 7.672 255 1HG GLU 544 2HG GLU 544 -11.197 3.615 6.308 256 2HG GLU 544 1HG GLU 544 -11.408 1.929 5.836 257 H THR 545 H THR 545 -9.059 -0.080 4.609 258 HA THR 545 HA THR 545 -7.009 1.401 3.544 259 HB THR 545 HB THR 545 -7.474 0.431 1.431 260 HG1 THR 545 HG1 THR 545 -10.222 0.298 2.049 261 1HG2 THR 545 3HG2 THR 545 -7.703 -1.215 3.523 262 2HG2 THR 545 2HG2 THR 545 -9.332 -1.403 2.873 263 3HG2 THR 545 1HG2 THR 545 -7.937 -1.800 1.876 264 H SER 546 H SER 546 -10.175 2.612 4.153 265 HA SER 546 HA SER 546 -10.690 4.381 2.046 266 1HB SER 546 2HB SER 546 -11.738 4.007 4.557 267 2HB SER 546 1HB SER 546 -10.989 5.593 4.720 268 HG SER 546 HG SER 546 -13.264 4.960 3.520 269 H ASP 547 H ASP 547 -8.103 4.402 4.323 270 HA ASP 547 HA ASP 547 -6.942 6.756 2.986 271 1HB ASP 547 2HB ASP 547 -7.411 6.531 5.971 272 2HB ASP 547 1HB ASP 547 -6.298 7.693 5.246 273 H GLY 548 H GLY 548 -6.215 3.967 2.798 274 1HA GLY 548 2HA GLY 548 -3.801 3.685 4.481 275 2HA GLY 548 1HA GLY 548 -4.451 2.458 3.385 276 H ILE 549 H ILE 549 -3.269 2.201 1.541 277 HA ILE 549 HA ILE 549 -2.316 4.588 0.164 278 HB ILE 549 HB ILE 549 -0.135 2.594 0.404 279 1HG1 ILE 549 2HG1 ILE 549 -0.449 4.545 2.652 280 2HG1 ILE 549 1HG1 ILE 549 -1.239 2.985 2.770 281 1HG2 ILE 549 3HG2 ILE 549 -0.338 5.609 0.469 282 2HG2 ILE 549 2HG2 ILE 549 1.188 4.738 0.688 283 3HG2 ILE 549 1HG2 ILE 549 0.291 4.601 -0.833 284 1HD1 ILE 549 1HD1 ILE 549 1.140 2.091 2.027 285 2HD1 ILE 549 3HD1 ILE 549 1.680 3.629 2.698 286 3HD1 ILE 549 2HD1 ILE 549 0.816 2.478 3.716 287 H ALA 550 H ALA 550 -3.656 4.043 -1.503 288 HA ALA 550 HA ALA 550 -4.004 1.583 -2.797 289 1HB ALA 550 1HB ALA 550 -4.811 4.193 -3.225 290 2HB ALA 550 3HB ALA 550 -3.900 3.790 -4.679 291 3HB ALA 550 2HB ALA 550 -5.267 2.789 -4.191 292 H LEU 551 H LEU 551 -3.214 0.928 -4.956 293 HA LEU 551 HA LEU 551 -0.506 1.901 -5.723 294 1HB LEU 551 2HB LEU 551 -1.122 -1.008 -5.081 295 2HB LEU 551 1HB LEU 551 0.365 -0.441 -5.819 296 HG LEU 551 HG LEU 551 0.386 1.122 -3.643 297 1HD1 LEU 551 2HD1 LEU 551 -1.100 -1.380 -2.799 298 2HD1 LEU 551 1HD1 LEU 551 -0.398 -0.196 -1.696 299 3HD1 LEU 551 3HD1 LEU 551 -1.731 0.263 -2.751 300 1HD2 LEU 551 3HD2 LEU 551 2.057 -0.622 -4.460 301 2HD2 LEU 551 2HD2 LEU 551 1.964 -0.427 -2.709 302 3HD2 LEU 551 1HD2 LEU 551 1.170 -1.796 -3.488 303 H SER 552 H SER 552 -0.036 1.572 -7.921 304 HA SER 552 HA SER 552 -2.113 0.083 -9.511 305 1HB SER 552 2HB SER 552 -2.198 2.793 -9.378 306 2HB SER 552 1HB SER 552 -1.065 2.571 -10.710 307 HG SER 552 HG SER 552 -3.425 2.640 -11.177 308 H ALA 553 H ALA 553 -1.158 0.673 -12.087 309 HA ALA 553 HA ALA 553 1.747 0.227 -12.225 310 1HB ALA 553 1HB ALA 553 -0.156 -1.889 -13.291 311 2HB ALA 553 3HB ALA 553 1.600 -1.880 -13.561 312 3HB ALA 553 2HB ALA 553 0.927 -2.096 -11.931 313 H ASP 554 H ASP 554 1.458 2.297 -13.378 314 HA ASP 554 HA ASP 554 -0.165 2.751 -15.618 315 1HB ASP 554 2HB ASP 554 1.655 4.325 -16.371 316 2HB ASP 554 1HB ASP 554 1.188 4.557 -14.686 317 H LYS 555 H LYS 555 2.754 0.901 -15.193 318 HA LYS 555 HA LYS 555 3.447 0.455 -17.911 319 1HB LYS 555 2HB LYS 555 3.606 -1.702 -15.811 320 2HB LYS 555 1HB LYS 555 4.741 -1.340 -17.111 321 1HG LYS 555 2HG LYS 555 5.938 -0.120 -15.649 322 2HG LYS 555 1HG LYS 555 4.587 1.012 -15.568 323 1HD LYS 555 2HD LYS 555 3.631 -0.107 -13.691 324 2HD LYS 555 1HD LYS 555 4.686 -1.506 -13.898 325 1HE LYS 555 2HE LYS 555 6.543 0.457 -13.642 326 2HE LYS 555 1HE LYS 555 5.252 1.117 -12.638 327 1HZ LYS 555 2HZ LYS 555 5.474 -1.612 -12.086 328 2HZ LYS 555 1HZ LYS 555 7.039 -0.954 -12.033 329 3HZ LYS 555 3HZ LYS 555 5.814 -0.304 -11.057 330 H TYR 556 H TYR 556 1.639 -1.858 -15.771 331 HA TYR 556 HA TYR 556 0.481 -3.479 -17.687 332 1HB TYR 556 2HB TYR 556 -0.307 -2.381 -15.063 333 2HB TYR 556 1HB TYR 556 -1.600 -3.078 -16.022 334 HD1 TYR 556 HD1 TYR 556 -0.581 -5.320 -17.344 335 HD2 TYR 556 HD2 TYR 556 0.481 -3.873 -13.429 336 HE1 TYR 556 HE1 TYR 556 0.078 -7.601 -16.646 337 HE2 TYR 556 HE2 TYR 556 1.156 -6.121 -12.790 338 HH TYR 556 HH TYR 556 0.249 -8.731 -13.932 339 H THR 557 H THR 557 -1.737 -3.431 -18.548 340 HA THR 557 HA THR 557 -2.741 -0.691 -19.124 341 HB THR 557 HB THR 557 -2.202 -2.999 -20.915 342 HG1 THR 557 HG1 THR 557 -1.663 -1.330 -22.290 343 1HG2 THR 557 3HG2 THR 557 -4.677 -2.808 -20.944 344 2HG2 THR 557 2HG2 THR 557 -4.516 -1.116 -21.423 345 3HG2 THR 557 1HG2 THR 557 -3.946 -2.394 -22.498 346 H SER 558 H SER 558 -3.366 -3.647 -17.790 347 HA SER 558 HA SER 558 -6.215 -3.803 -18.235 348 1HB SER 558 2HB SER 558 -5.126 -5.864 -17.962 349 2HB SER 558 1HB SER 558 -4.205 -5.307 -16.571 350 HG SER 558 HG SER 558 -6.063 -6.706 -16.148 351 H SER 559 H SER 559 -5.457 -4.407 -14.918 352 HA SER 559 HA SER 559 -6.744 -1.781 -14.257 353 1HB SER 559 2HB SER 559 -7.638 -4.397 -13.711 354 2HB SER 559 1HB SER 559 -7.110 -3.723 -12.176 355 HG SER 559 HG SER 559 -8.881 -2.514 -14.041 356 H ASP 560 H ASP 560 -3.916 -2.082 -14.386 357 HA ASP 560 HA ASP 560 -2.068 -1.403 -13.045 358 1HB ASP 560 2HB ASP 560 -3.787 -1.219 -10.624 359 2HB ASP 560 1HB ASP 560 -2.543 -0.134 -11.223 360 HA PRO 561 HA PRO 561 -2.641 -5.647 -10.878 361 1HB PRO 561 2HB PRO 561 -1.632 -7.272 -12.839 362 2HB PRO 561 1HB PRO 561 -3.330 -6.908 -12.622 363 1HG PRO 561 2HG PRO 561 -1.495 -5.907 -14.637 364 2HG PRO 561 1HG PRO 561 -3.228 -6.132 -14.743 365 1HD PRO 561 2HD PRO 561 -1.968 -3.664 -14.328 366 2HD PRO 561 1HD PRO 561 -3.663 -4.024 -14.021 367 H LEU 562 H LEU 562 -0.196 -3.672 -11.866 368 HA LEU 562 HA LEU 562 1.885 -5.580 -10.935 369 1HB LEU 562 2HB LEU 562 2.271 -4.041 -13.047 370 2HB LEU 562 1HB LEU 562 2.521 -2.776 -11.861 371 HG LEU 562 HG LEU 562 4.569 -4.171 -12.714 372 1HD1 LEU 562 1HD1 LEU 562 4.370 -2.437 -10.812 373 2HD1 LEU 562 3HD1 LEU 562 4.275 -3.837 -9.733 374 3HD1 LEU 562 2HD1 LEU 562 5.708 -3.592 -10.727 375 1HD2 LEU 562 2HD2 LEU 562 3.194 -6.318 -11.971 376 2HD2 LEU 562 1HD2 LEU 562 4.946 -6.255 -11.731 377 3HD2 LEU 562 3HD2 LEU 562 3.858 -5.926 -10.384 378 H TRP 563 H TRP 563 0.210 -2.652 -10.351 379 HA TRP 563 HA TRP 563 -0.032 -1.343 -8.468 380 1HB TRP 563 2HB TRP 563 0.947 -3.664 -6.894 381 2HB TRP 563 1HB TRP 563 -0.346 -2.543 -6.553 382 HD1 TRP 563 HD1 TRP 563 0.418 -5.759 -8.433 383 HE1 TRP 563 HE1 TRP 563 -1.757 -6.895 -9.147 384 HE3 TRP 563 HE3 TRP 563 -2.865 -1.902 -7.613 385 HZ2 TRP 563 HZ2 TRP 563 -4.487 -6.205 -9.405 386 HZ3 TRP 563 HZ3 TRP 563 -5.233 -2.193 -8.176 387 HH2 TRP 563 HH2 TRP 563 -6.064 -4.330 -9.078 388 H TYR 564 H TYR 564 1.238 0.236 -7.785 389 HA TYR 564 HA TYR 564 3.794 -0.355 -6.439 390 1HB TYR 564 2HB TYR 564 4.820 1.618 -7.779 391 2HB TYR 564 1HB TYR 564 4.692 0.069 -8.618 392 HD1 TYR 564 HD2 TYR 564 1.769 2.045 -7.790 393 HD2 TYR 564 HD1 TYR 564 4.551 1.079 -10.865 394 HE1 TYR 564 HE2 TYR 564 0.280 3.090 -9.340 395 HE2 TYR 564 HE1 TYR 564 3.066 2.208 -12.520 396 HH TYR 564 HH TYR 564 0.807 4.322 -11.814 397 H VAL 565 H VAL 565 4.372 2.565 -6.137 398 HA VAL 565 HA VAL 565 2.109 4.111 -5.687 399 HB VAL 565 HB VAL 565 1.026 2.661 -4.249 400 1HG1 VAL 565 3HG1 VAL 565 3.698 2.101 -2.951 401 2HG1 VAL 565 2HG1 VAL 565 2.169 1.412 -2.430 402 3HG1 VAL 565 1HG1 VAL 565 2.829 1.013 -4.012 403 1HG2 VAL 565 3HG2 VAL 565 2.668 4.518 -2.515 404 2HG2 VAL 565 2HG2 VAL 565 1.040 4.775 -3.137 405 3HG2 VAL 565 1HG2 VAL 565 1.331 3.549 -1.905 406 H THR 566 H THR 566 2.323 5.891 -4.362 407 HA THR 566 HA THR 566 4.813 6.456 -2.922 408 HB THR 566 HB THR 566 4.156 7.963 -5.478 409 HG1 THR 566 HG1 THR 566 5.557 6.669 -6.312 410 1HG2 THR 566 2HG2 THR 566 5.426 8.844 -3.093 411 2HG2 THR 566 1HG2 THR 566 6.693 8.622 -4.300 412 3HG2 THR 566 3HG2 THR 566 5.330 9.687 -4.639 413 H VAL 567 H VAL 567 3.287 6.847 -1.207 414 HA VAL 567 HA VAL 567 1.635 9.318 -1.596 415 HB VAL 567 HB VAL 567 0.980 7.128 0.376 416 1HG1 VAL 567 3HG1 VAL 567 -0.290 9.599 -0.675 417 2HG1 VAL 567 2HG1 VAL 567 -1.360 8.212 -0.479 418 3HG1 VAL 567 1HG1 VAL 567 -0.460 8.831 0.905 419 1HG2 VAL 567 2HG2 VAL 567 0.099 7.373 -2.517 420 2HG2 VAL 567 1HG2 VAL 567 1.104 6.091 -1.841 421 3HG2 VAL 567 3HG2 VAL 567 -0.581 6.244 -1.345 422 H THR 568 H THR 568 1.054 10.220 0.761 423 HA THR 568 HA THR 568 3.633 10.318 2.259 424 HB THR 568 HB THR 568 2.486 12.588 3.046 425 HG1 THR 568 HG1 THR 568 1.572 12.455 0.400 426 1HG2 THR 568 2HG2 THR 568 4.110 11.891 0.641 427 2HG2 THR 568 1HG2 THR 568 3.513 13.545 0.780 428 3HG2 THR 568 3HG2 THR 568 4.543 12.870 2.043 429 H LEU 569 H LEU 569 3.342 10.954 4.590 430 HA LEU 569 HA LEU 569 0.821 10.334 5.913 431 1HB LEU 569 2HB LEU 569 2.041 8.076 5.319 432 2HB LEU 569 1HB LEU 569 3.120 8.518 6.645 433 HG LEU 569 HG LEU 569 0.116 8.555 6.979 434 1HD1 LEU 569 3HD1 LEU 569 2.010 6.219 7.415 435 2HD1 LEU 569 2HD1 LEU 569 0.364 6.280 8.048 436 3HD1 LEU 569 1HD1 LEU 569 0.644 6.269 6.311 437 1HD2 LEU 569 1HD2 LEU 569 2.359 9.269 8.563 438 2HD2 LEU 569 3HD2 LEU 569 0.662 9.237 9.047 439 3HD2 LEU 569 2HD2 LEU 569 1.668 7.811 9.265 440 HA PRO 570 HA PRO 570 3.504 13.300 8.063 441 1HB PRO 570 2HB PRO 570 1.429 14.870 8.935 442 2HB PRO 570 1HB PRO 570 2.187 15.024 7.340 443 1HG PRO 570 2HG PRO 570 -0.447 13.836 8.061 444 2HG PRO 570 1HG PRO 570 0.066 14.580 6.539 445 1HD PRO 570 2HD PRO 570 -0.141 11.803 7.028 446 2HD PRO 570 1HD PRO 570 0.697 12.558 5.656 447 H ALA 571 H ALA 571 4.130 11.858 9.724 448 HA ALA 571 HA ALA 571 2.873 12.365 12.290 449 1HB ALA 571 2HB ALA 571 2.532 9.708 10.926 450 2HB ALA 571 1HB ALA 571 2.695 9.766 12.681 451 3HB ALA 571 3HB ALA 571 1.371 10.620 11.890 452 H GLY 572 H GLY 572 4.149 10.312 13.777 453 1HA GLY 572 2HA GLY 572 6.919 10.072 12.842 454 2HA GLY 572 1HA GLY 572 6.721 11.201 14.180 455 H GLU 573 H GLU 573 5.924 7.839 13.264 456 HA GLU 573 HA GLU 573 6.907 6.851 15.824 457 1HB GLU 573 2HB GLU 573 4.110 5.979 15.500 458 2HB GLU 573 1HB GLU 573 4.979 6.443 16.959 459 1HG GLU 573 2HG GLU 573 4.560 8.753 16.605 460 2HG GLU 573 1HG GLU 573 4.085 8.493 14.926 461 H SER 574 H SER 574 5.354 4.428 15.783 462 HA SER 574 HA SER 574 6.580 3.088 13.415 463 1HB SER 574 2HB SER 574 5.396 1.143 15.025 464 2HB SER 574 1HB SER 574 7.101 1.585 15.027 465 HG SER 574 HG SER 574 6.769 2.884 16.743 466 H PHE 575 H PHE 575 5.133 3.598 11.823 467 HA PHE 575 HA PHE 575 2.234 3.254 12.132 468 1HB PHE 575 2HB PHE 575 3.945 3.676 9.649 469 2HB PHE 575 1HB PHE 575 2.217 3.920 9.767 470 HD1 PHE 575 HD1 PHE 575 3.602 4.904 12.868 471 HD2 PHE 575 HD2 PHE 575 3.202 6.266 8.816 472 HE1 PHE 575 HE1 PHE 575 4.132 7.187 13.586 473 HE2 PHE 575 HE2 PHE 575 3.761 8.558 9.548 474 HZ PHE 575 HZ PHE 575 4.231 9.011 11.932 475 H GLU 576 H GLU 576 1.182 1.316 11.560 476 HA GLU 576 HA GLU 576 2.849 -1.034 11.083 477 1HB GLU 576 2HB GLU 576 -0.156 -0.798 11.085 478 2HB GLU 576 1HB GLU 576 0.749 -2.302 11.042 479 1HG GLU 576 2HG GLU 576 1.182 -0.271 13.232 480 2HG GLU 576 1HG GLU 576 -0.065 -1.513 13.354 481 H TYR 577 H TYR 577 2.303 -2.541 9.219 482 HA TYR 577 HA TYR 577 1.376 -1.039 6.866 483 1HB TYR 577 2HB TYR 577 4.162 -2.103 7.248 484 2HB TYR 577 1HB TYR 577 3.476 -1.922 5.629 485 HD1 TYR 577 HD1 TYR 577 4.375 -0.099 8.754 486 HD2 TYR 577 HD2 TYR 577 3.097 0.239 4.658 487 HE1 TYR 577 HE1 TYR 577 4.782 2.332 8.818 488 HE2 TYR 577 HE2 TYR 577 3.509 2.682 4.736 489 HH TYR 577 HH TYR 577 3.621 4.445 7.204 490 H LYS 578 H LYS 578 -0.344 -2.440 6.813 491 HA LYS 578 HA LYS 578 0.226 -5.291 6.214 492 1HB LYS 578 2HB LYS 578 -1.764 -4.064 7.807 493 2HB LYS 578 1HB LYS 578 -2.592 -4.592 6.342 494 1HG LYS 578 2HG LYS 578 -2.648 -6.424 7.918 495 2HG LYS 578 1HG LYS 578 -1.511 -6.850 6.637 496 1HD LYS 578 2HD LYS 578 0.365 -6.460 7.998 497 2HD LYS 578 1HD LYS 578 -0.550 -5.469 9.135 498 1HE LYS 578 2HE LYS 578 -0.146 -7.622 10.172 499 2HE LYS 578 1HE LYS 578 -1.859 -7.522 9.765 500 1HZ LYS 578 1HZ LYS 578 -1.152 -8.631 7.588 501 2HZ LYS 578 3HZ LYS 578 0.273 -9.045 8.410 502 3HZ LYS 578 2HZ LYS 578 -1.228 -9.594 8.985 503 H PHE 579 H PHE 579 -0.756 -6.112 4.221 504 HA PHE 579 HA PHE 579 -1.259 -3.864 2.314 505 1HB PHE 579 2HB PHE 579 0.800 -5.236 1.815 506 2HB PHE 579 1HB PHE 579 -0.268 -6.617 1.520 507 HD1 PHE 579 HD1 PHE 579 -2.208 -6.341 0.003 508 HD2 PHE 579 HD2 PHE 579 1.066 -3.587 0.122 509 HE1 PHE 579 HE1 PHE 579 -2.942 -5.400 -2.133 510 HE2 PHE 579 HE2 PHE 579 0.335 -2.633 -2.050 511 HZ PHE 579 HZ PHE 579 -1.692 -3.553 -3.139 512 H ILE 580 H ILE 580 -2.915 -3.893 0.989 513 HA ILE 580 HA ILE 580 -4.881 -6.091 1.284 514 HB ILE 580 HB ILE 580 -6.604 -4.471 1.653 515 1HG1 ILE 580 2HG1 ILE 580 -4.526 -2.685 0.541 516 2HG1 ILE 580 1HG1 ILE 580 -6.284 -2.692 0.289 517 1HG2 ILE 580 1HG2 ILE 580 -4.988 -4.980 3.592 518 2HG2 ILE 580 3HG2 ILE 580 -4.238 -3.425 3.229 519 3HG2 ILE 580 2HG2 ILE 580 -5.922 -3.485 3.744 520 1HD1 ILE 580 2HD1 ILE 580 -6.167 -1.967 2.887 521 2HD1 ILE 580 1HD1 ILE 580 -4.661 -1.263 2.305 522 3HD1 ILE 580 3HD1 ILE 580 -6.192 -0.813 1.562 523 H ARG 581 H ARG 581 -6.020 -6.590 -0.589 524 HA ARG 581 HA ARG 581 -5.291 -4.974 -2.983 525 1HB ARG 581 2HB ARG 581 -4.537 -7.279 -3.213 526 2HB ARG 581 1HB ARG 581 -6.124 -7.882 -2.737 527 1HG ARG 581 2HG ARG 581 -7.127 -6.891 -4.741 528 2HG ARG 581 1HG ARG 581 -5.563 -6.227 -5.214 529 1HD ARG 581 2HD ARG 581 -6.506 -9.069 -5.259 530 2HD ARG 581 1HD ARG 581 -5.562 -8.186 -6.457 531 HE ARG 581 HE ARG 581 -3.599 -8.447 -4.951 532 1HH1 ARG 581 1HH2 ARG 581 -6.329 -9.711 -3.424 533 2HH1 ARG 581 2HH2 ARG 581 -5.568 -11.178 -2.907 534 1HH2 ARG 581 2HH1 ARG 581 -2.644 -10.598 -4.678 535 2HH2 ARG 581 1HH1 ARG 581 -3.481 -11.681 -3.618 536 H ILE 582 H ILE 582 -6.909 -3.462 -3.076 537 HA ILE 582 HA ILE 582 -9.628 -4.184 -2.328 538 HB ILE 582 HB ILE 582 -8.169 -1.822 -2.477 539 1HG1 ILE 582 2HG1 ILE 582 -9.876 -2.431 -0.828 540 2HG1 ILE 582 1HG1 ILE 582 -10.271 -0.867 -1.552 541 1HG2 ILE 582 3HG2 ILE 582 -8.998 -1.717 -4.917 542 2HG2 ILE 582 2HG2 ILE 582 -10.609 -1.515 -4.239 543 3HG2 ILE 582 1HG2 ILE 582 -9.355 -0.323 -3.902 544 1HD1 ILE 582 2HD1 ILE 582 -11.448 -2.539 -3.330 545 2HD1 ILE 582 1HD1 ILE 582 -11.638 -3.476 -1.827 546 3HD1 ILE 582 3HD1 ILE 582 -12.298 -1.838 -1.939 547 H GLU 583 H GLU 583 -11.438 -4.398 -3.513 548 HA GLU 583 HA GLU 583 -12.835 -4.937 -5.273 549 1HB GLU 583 2HB GLU 583 -12.385 -2.603 -5.831 550 2HB GLU 583 1HB GLU 583 -10.974 -3.092 -6.769 551 1HG GLU 583 2HG GLU 583 -12.233 -3.805 -8.520 552 2HG GLU 583 1HG GLU 583 -13.446 -4.535 -7.467 553 H SER 584 H SER 584 -9.617 -6.072 -5.484 554 HA SER 584 HA SER 584 -9.552 -7.003 -8.155 555 1HB SER 584 2HB SER 584 -7.916 -8.608 -7.474 556 2HB SER 584 1HB SER 584 -7.665 -7.173 -6.485 557 HG SER 584 HG SER 584 -8.969 -8.215 -4.869 558 H ASP 585 H ASP 585 -11.357 -8.211 -5.401 559 HA ASP 585 HA ASP 585 -12.545 -10.274 -7.178 560 1HB ASP 585 2HB ASP 585 -12.982 -11.122 -4.619 561 2HB ASP 585 1HB ASP 585 -11.704 -11.741 -5.653 562 H ASP 586 H ASP 586 -13.264 -9.011 -3.950 563 HA ASP 586 HA ASP 586 -15.891 -8.004 -4.962 564 1HB ASP 586 2HB ASP 586 -15.406 -10.097 -3.040 565 2HB ASP 586 1HB ASP 586 -16.158 -8.727 -2.223 566 H SER 587 H SER 587 -13.897 -7.995 -1.998 567 HA SER 587 HA SER 587 -14.034 -5.013 -2.057 568 1HB SER 587 2HB SER 587 -13.970 -5.022 0.402 569 2HB SER 587 1HB SER 587 -15.416 -5.836 -0.196 570 HG SER 587 HG SER 587 -14.515 -7.784 0.282 571 H VAL 588 H VAL 588 -12.149 -5.526 0.521 572 HA VAL 588 HA VAL 588 -9.760 -5.586 -1.228 573 HB VAL 588 HB VAL 588 -9.238 -5.353 1.629 574 1HG1 VAL 588 2HG1 VAL 588 -8.557 -3.739 -0.822 575 2HG1 VAL 588 1HG1 VAL 588 -7.927 -3.394 0.792 576 3HG1 VAL 588 3HG1 VAL 588 -7.538 -4.923 0.004 577 1HG2 VAL 588 3HG2 VAL 588 -11.434 -3.802 0.631 578 2HG2 VAL 588 2HG2 VAL 588 -10.697 -3.829 2.235 579 3HG2 VAL 588 1HG2 VAL 588 -10.067 -2.749 0.997 580 H GLU 589 H GLU 589 -7.867 -6.740 -0.338 581 HA GLU 589 HA GLU 589 -8.591 -9.216 1.147 582 1HB GLU 589 2HB GLU 589 -8.271 -9.987 -1.119 583 2HB GLU 589 1HB GLU 589 -6.865 -8.940 -1.338 584 1HG GLU 589 2HG GLU 589 -5.516 -10.536 -0.526 585 2HG GLU 589 1HG GLU 589 -6.437 -10.559 0.979 586 H TRP 590 H TRP 590 -7.751 -8.078 3.031 587 HA TRP 590 HA TRP 590 -5.162 -6.827 2.935 588 1HB TRP 590 2HB TRP 590 -6.826 -7.713 5.298 589 2HB TRP 590 1HB TRP 590 -5.345 -6.760 5.423 590 HD1 TRP 590 HD1 TRP 590 -7.444 -6.018 2.415 591 HE1 TRP 590 HE1 TRP 590 -8.631 -3.786 2.653 592 HE3 TRP 590 HE3 TRP 590 -6.385 -4.993 7.315 593 HZ2 TRP 590 HZ2 TRP 590 -9.146 -1.849 4.667 594 HZ3 TRP 590 HZ3 TRP 590 -7.213 -2.861 8.308 595 HH2 TRP 590 HH2 TRP 590 -8.581 -1.335 6.987 596 H GLU 591 H GLU 591 -3.871 -8.434 1.971 597 HA GLU 591 HA GLU 591 -3.258 -10.818 3.607 598 1HB GLU 591 2HB GLU 591 -3.735 -10.869 1.038 599 2HB GLU 591 1HB GLU 591 -2.097 -10.232 0.904 600 1HG GLU 591 2HG GLU 591 -1.366 -12.359 1.059 601 2HG GLU 591 1HG GLU 591 -1.875 -12.319 2.748 602 H SER 592 H SER 592 -0.568 -10.401 1.888 603 HA SER 592 HA SER 592 1.426 -9.159 2.134 604 1HB SER 592 2HB SER 592 -0.402 -7.356 2.967 605 2HB SER 592 1HB SER 592 0.387 -7.685 4.503 606 HG SER 592 HG SER 592 2.009 -6.534 3.851 607 H ASP 593 H ASP 593 1.802 -11.484 2.949 608 HA ASP 593 HA ASP 593 1.808 -12.207 5.667 609 1HB ASP 593 2HB ASP 593 2.858 -13.259 3.253 610 2HB ASP 593 1HB ASP 593 4.193 -13.212 4.405 611 HA PRO 594 HA PRO 594 6.157 -10.281 6.082 612 1HB PRO 594 2HB PRO 594 7.125 -8.848 3.945 613 2HB PRO 594 1HB PRO 594 7.397 -10.586 4.163 614 1HG PRO 594 2HG PRO 594 5.563 -9.198 2.267 615 2HG PRO 594 1HG PRO 594 6.324 -10.792 2.128 616 1HD PRO 594 2HD PRO 594 3.637 -10.288 2.869 617 2HD PRO 594 1HD PRO 594 4.495 -11.836 3.028 618 H ASN 595 H ASN 595 4.413 -8.974 7.277 619 HA ASN 595 HA ASN 595 3.576 -6.410 6.255 620 1HB ASN 595 2HB ASN 595 3.040 -5.952 8.691 621 2HB ASN 595 1HB ASN 595 2.296 -7.411 8.036 622 1HD2 ASN 595 2HD2 ASN 595 3.663 -8.799 11.065 623 2HD2 ASN 595 1HD2 ASN 595 2.265 -8.080 10.426 624 H ARG 596 H ARG 596 4.203 -4.456 7.980 625 HA ARG 596 HA ARG 596 7.058 -4.463 8.634 626 1HB ARG 596 2HB ARG 596 6.319 -3.696 6.039 627 2HB ARG 596 1HB ARG 596 6.579 -2.180 6.903 628 1HG ARG 596 2HG ARG 596 8.810 -2.490 6.916 629 2HG ARG 596 1HG ARG 596 8.632 -4.113 7.583 630 1HD ARG 596 2HD ARG 596 7.945 -4.808 5.186 631 2HD ARG 596 1HD ARG 596 8.645 -3.268 4.687 632 HE ARG 596 HE ARG 596 10.811 -4.103 5.266 633 1HH1 ARG 596 2HH1 ARG 596 11.540 -5.472 7.269 634 2HH1 ARG 596 1HH1 ARG 596 11.128 -7.145 7.096 635 1HH2 ARG 596 1HH2 ARG 596 8.848 -6.593 4.542 636 2HH2 ARG 596 2HH2 ARG 596 9.604 -7.780 5.552 637 H GLU 597 H GLU 597 7.701 -2.303 9.569 638 HA GLU 597 HA GLU 597 5.372 -0.723 10.561 639 1HB GLU 597 2HB GLU 597 6.653 -0.669 12.810 640 2HB GLU 597 1HB GLU 597 5.759 -2.139 12.420 641 1HG GLU 597 2HG GLU 597 8.633 -1.890 11.582 642 2HG GLU 597 1HG GLU 597 8.246 -2.324 13.247 643 H TYR 598 H TYR 598 6.212 0.794 8.919 644 HA TYR 598 HA TYR 598 8.765 1.868 8.748 645 1HB TYR 598 2HB TYR 598 6.573 2.395 7.455 646 2HB TYR 598 1HB TYR 598 6.311 3.612 8.703 647 HD1 TYR 598 HD1 TYR 598 8.009 5.465 9.003 648 HD2 TYR 598 HD2 TYR 598 8.164 2.630 5.773 649 HE1 TYR 598 HE1 TYR 598 9.487 7.002 7.777 650 HE2 TYR 598 HE2 TYR 598 9.695 4.135 4.537 651 HH TYR 598 HH TYR 598 11.373 6.561 5.851 652 H THR 599 H THR 599 10.010 2.870 10.264 653 HA THR 599 HA THR 599 8.711 3.855 12.733 654 HB THR 599 HB THR 599 11.292 4.443 13.143 655 HG1 THR 599 HG1 THR 599 12.577 3.542 11.760 656 1HG2 THR 599 1HG2 THR 599 9.553 2.387 13.869 657 2HG2 THR 599 3HG2 THR 599 10.998 1.549 13.300 658 3HG2 THR 599 2HG2 THR 599 11.121 2.733 14.601 659 H VAL 600 H VAL 600 7.701 5.411 10.887 660 HA VAL 600 HA VAL 600 9.173 7.445 9.697 661 HB VAL 600 HB VAL 600 6.433 7.762 10.983 662 1HG1 VAL 600 2HG1 VAL 600 8.222 9.403 9.280 663 2HG1 VAL 600 1HG1 VAL 600 6.471 9.608 9.146 664 3HG1 VAL 600 3HG1 VAL 600 7.281 9.911 10.690 665 1HG2 VAL 600 2HG2 VAL 600 7.294 7.215 8.114 666 2HG2 VAL 600 1HG2 VAL 600 6.272 6.172 9.125 667 3HG2 VAL 600 3HG2 VAL 600 5.680 7.736 8.570 668 HA PRO 601 HA PRO 601 10.747 9.239 13.511 669 1HB PRO 601 2HB PRO 601 12.744 10.658 12.263 670 2HB PRO 601 1HB PRO 601 12.880 8.943 12.688 671 1HG PRO 601 2HG PRO 601 12.455 10.185 10.011 672 2HG PRO 601 1HG PRO 601 13.200 8.631 10.422 673 1HD PRO 601 2HD PRO 601 10.570 9.002 9.440 674 2HD PRO 601 1HD PRO 601 11.217 7.512 10.160 675 H GLN 602 H GLN 602 11.386 11.697 13.964 676 HA GLN 602 HA GLN 602 9.322 13.389 12.612 677 1HB GLN 602 2HB GLN 602 9.324 14.728 14.708 678 2HB GLN 602 1HB GLN 602 8.865 13.049 14.996 679 1HG GLN 602 2HG GLN 602 10.638 12.716 16.348 680 2HG GLN 602 1HG GLN 602 11.748 13.392 15.155 681 1HE2 GLN 602 2HE2 GLN 602 12.151 16.338 17.020 682 2HE2 GLN 602 1HE2 GLN 602 12.805 15.216 15.928 683 H ALA 603 H ALA 603 12.688 13.063 13.421 684 HA ALA 603 HA ALA 603 13.334 15.864 12.857 685 1HB ALA 603 2HB ALA 603 14.958 13.381 13.402 686 2HB ALA 603 1HB ALA 603 15.729 14.870 12.856 687 3HB ALA 603 3HB ALA 603 14.832 14.847 14.374 688 H CYS 604 H CYS 604 14.257 16.649 10.937 689 HA CYS 604 HA CYS 604 13.539 15.323 8.500 690 1HB CYS 604 2HB CYS 604 14.740 17.116 7.380 691 2HB CYS 604 1HB CYS 604 13.864 17.800 8.750 692 H GLY 605 H GLY 605 14.677 13.878 7.259 693 1HA GLY 605 2HA GLY 605 17.441 13.642 6.964 694 2HA GLY 605 1HA GLY 605 17.049 12.640 8.362 695 H THR 606 H THR 606 14.351 11.999 7.228 696 HA THR 606 HA THR 606 14.780 10.657 4.696 697 HB THR 606 HB THR 606 16.113 9.177 6.166 698 HG1 THR 606 HG1 THR 606 14.867 7.258 5.705 699 1HG2 THR 606 2HG2 THR 606 13.883 9.633 7.929 700 2HG2 THR 606 1HG2 THR 606 14.074 7.901 7.657 701 3HG2 THR 606 3HG2 THR 606 15.424 8.849 8.279 702 H SER 607 H SER 607 12.787 12.391 5.950 703 HA SER 607 HA SER 607 10.470 11.106 6.868 704 1HB SER 607 2HB SER 607 10.474 13.385 4.874 705 2HB SER 607 1HB SER 607 9.228 13.009 6.061 706 HG SER 607 HG SER 607 11.737 14.187 6.380 707 H THR 608 H THR 608 11.834 11.150 3.655 708 HA THR 608 HA THR 608 9.498 9.548 2.712 709 HB THR 608 HB THR 608 9.853 10.384 0.518 710 HG1 THR 608 HG1 THR 608 11.769 10.897 -0.186 711 1HG2 THR 608 3HG2 THR 608 10.381 12.506 2.594 712 2HG2 THR 608 2HG2 THR 608 10.241 12.912 0.883 713 3HG2 THR 608 1HG2 THR 608 8.883 12.168 1.727 714 H ALA 609 H ALA 609 9.940 7.445 2.562 715 HA ALA 609 HA ALA 609 12.718 6.672 1.732 716 1HB ALA 609 1HB ALA 609 12.334 6.425 4.236 717 2HB ALA 609 3HB ALA 609 11.154 5.175 3.842 718 3HB ALA 609 2HB ALA 609 12.847 4.961 3.397 719 H THR 610 H THR 610 12.413 3.943 1.678 720 HA THR 610 HA THR 610 10.300 3.613 -0.414 721 HB THR 610 HB THR 610 11.810 1.448 -0.798 722 HG1 THR 610 HG1 THR 610 13.742 3.299 0.070 723 1HG2 THR 610 1HG2 THR 610 12.588 4.248 -1.661 724 2HG2 THR 610 3HG2 THR 610 13.120 2.759 -2.443 725 3HG2 THR 610 2HG2 THR 610 11.414 3.205 -2.463 726 H VAL 611 H VAL 611 9.435 1.408 -0.560 727 HA VAL 611 HA VAL 611 9.248 -0.144 1.919 728 HB VAL 611 HB VAL 611 6.641 0.837 0.920 729 1HG1 VAL 611 3HG1 VAL 611 7.703 -0.320 3.298 730 2HG1 VAL 611 2HG1 VAL 611 7.063 1.284 3.720 731 3HG1 VAL 611 1HG1 VAL 611 6.012 0.067 2.961 732 1HG2 VAL 611 2HG2 VAL 611 8.079 2.901 0.928 733 2HG2 VAL 611 1HG2 VAL 611 6.643 2.966 1.972 734 3HG2 VAL 611 3HG2 VAL 611 8.242 2.649 2.675 735 H THR 612 H THR 612 10.229 -1.062 -0.381 736 HA THR 612 HA THR 612 8.263 -1.863 -2.347 737 HB THR 612 HB THR 612 10.370 -3.460 -2.877 738 HG1 THR 612 HG1 THR 612 11.833 -2.935 -1.482 739 1HG2 THR 612 1HG2 THR 612 9.520 -0.742 -3.605 740 2HG2 THR 612 3HG2 THR 612 11.176 -1.167 -4.041 741 3HG2 THR 612 2HG2 THR 612 9.830 -2.156 -4.612 742 H ASP 613 H ASP 613 7.570 -3.874 -2.933 743 HA ASP 613 HA ASP 613 8.295 -6.218 -1.476 744 1HB ASP 613 2HB ASP 613 5.887 -4.712 -0.669 745 2HB ASP 613 1HB ASP 613 5.611 -6.431 -0.954 746 H THR 614 H THR 614 6.756 -8.114 -2.244 747 HA THR 614 HA THR 614 5.307 -7.586 -4.683 748 HB THR 614 HB THR 614 6.932 -7.747 -6.179 749 HG1 THR 614 HG1 THR 614 7.477 -9.754 -6.712 750 1HG2 THR 614 2HG2 THR 614 8.605 -8.361 -3.761 751 2HG2 THR 614 1HG2 THR 614 9.306 -8.494 -5.374 752 3HG2 THR 614 3HG2 THR 614 8.651 -6.952 -4.822 753 H TRP 615 H TRP 615 3.866 -8.787 -4.904 754 HA TRP 615 HA TRP 615 3.192 -10.938 -3.203 755 1HB TRP 615 2HB TRP 615 2.095 -9.254 -5.186 756 2HB TRP 615 1HB TRP 615 1.706 -10.909 -5.651 757 HD1 TRP 615 HD1 TRP 615 1.319 -12.239 -3.181 758 HE1 TRP 615 HE1 TRP 615 -0.567 -11.763 -1.460 759 HE3 TRP 615 HE3 TRP 615 0.262 -7.542 -4.547 760 HZ2 TRP 615 HZ2 TRP 615 -2.326 -9.549 -0.806 761 HZ3 TRP 615 HZ3 TRP 615 -1.491 -6.265 -3.441 762 HH2 TRP 615 HH2 TRP 615 -2.763 -7.219 -1.584 763 H ARG 616 H ARG 616 4.353 -12.841 -3.306 764 HA ARG 616 HA ARG 616 4.550 -14.147 -5.982 765 1HB ARG 616 2HB ARG 616 6.741 -13.301 -4.250 766 2HB ARG 616 1HB ARG 616 6.795 -15.033 -4.582 767 1HG ARG 616 2HG ARG 616 6.281 -13.118 -6.837 768 2HG ARG 616 1HG ARG 616 7.931 -13.353 -6.259 769 1HD ARG 616 2HD ARG 616 8.074 -15.314 -7.350 770 2HD ARG 616 1HD ARG 616 6.639 -15.913 -6.518 771 HE ARG 616 HE ARG 616 5.377 -15.408 -8.449 772 1HH1 ARG 616 1HH2 ARG 616 5.949 -12.570 -8.805 773 2HH1 ARG 616 2HH2 ARG 616 6.880 -12.522 -10.265 774 1HH2 ARG 616 1HH1 ARG 616 7.656 -15.901 -10.197 775 2HH2 ARG 616 2HH1 ARG 616 7.846 -14.407 -11.053 No H/Q in entry = 775 Start of MODEL 3 1 1H CYS 509 2H CYS 509 -3.202 20.345 14.587 2 2H CYS 509 1H CYS 509 -1.505 20.285 14.610 3 3H CYS 509 3H CYS 509 -2.381 20.012 16.036 4 HA CYS 509 HA CYS 509 -2.710 22.183 16.444 5 1HB CYS 509 2HB CYS 509 -0.820 23.548 15.654 6 2HB CYS 509 1HB CYS 509 -0.265 21.941 16.120 7 H THR 510 H THR 510 -2.873 21.367 13.052 8 HA THR 510 HA THR 510 -4.703 23.686 12.664 9 HB THR 510 HB THR 510 -2.704 22.838 10.559 10 HG1 THR 510 HG1 THR 510 -1.294 24.171 11.399 11 1HG2 THR 510 2HG2 THR 510 -4.970 24.540 10.593 12 2HG2 THR 510 1HG2 THR 510 -3.552 25.586 10.513 13 3HG2 THR 510 3HG2 THR 510 -3.796 24.337 9.292 14 H THR 511 H THR 511 -3.404 20.867 10.864 15 HA THR 511 HA THR 511 -6.048 20.393 9.676 16 HB THR 511 HB THR 511 -4.307 18.195 9.200 17 HG1 THR 511 HG1 THR 511 -2.989 20.581 8.567 18 1HG2 THR 511 1HG2 THR 511 -5.871 20.090 7.792 19 2HG2 THR 511 3HG2 THR 511 -4.253 20.155 7.093 20 3HG2 THR 511 2HG2 THR 511 -5.127 18.624 7.153 21 HA PRO 512 HA PRO 512 -7.340 17.166 12.375 22 1HB PRO 512 2HB PRO 512 -8.212 15.217 10.648 23 2HB PRO 512 1HB PRO 512 -9.074 16.742 10.917 24 1HG PRO 512 2HG PRO 512 -7.453 15.895 8.566 25 2HG PRO 512 1HG PRO 512 -8.768 17.079 8.654 26 1HD PRO 512 2HD PRO 512 -5.985 17.658 8.564 27 2HD PRO 512 1HD PRO 512 -7.292 18.810 8.913 28 H THR 513 H THR 513 -4.431 16.989 11.704 29 HA THR 513 HA THR 513 -2.661 15.469 11.920 30 HB THR 513 HB THR 513 -2.914 13.907 13.629 31 HG1 THR 513 HG1 THR 513 -5.024 12.921 13.982 32 1HG2 THR 513 3HG2 THR 513 -4.009 16.292 14.068 33 2HG2 THR 513 2HG2 THR 513 -5.471 15.323 14.248 34 3HG2 THR 513 1HG2 THR 513 -4.078 15.019 15.286 35 H ALA 514 H ALA 514 -4.507 15.306 9.551 36 HA ALA 514 HA ALA 514 -4.662 12.469 8.866 37 1HB ALA 514 2HB ALA 514 -5.219 15.049 7.426 38 2HB ALA 514 1HB ALA 514 -5.132 13.535 6.525 39 3HB ALA 514 3HB ALA 514 -6.328 13.732 7.806 40 H VAL 515 H VAL 515 -3.085 11.289 7.799 41 HA VAL 515 HA VAL 515 -0.679 12.822 6.948 42 HB VAL 515 HB VAL 515 -0.786 9.893 7.572 43 1HG1 VAL 515 1HG1 VAL 515 1.015 10.947 6.035 44 2HG1 VAL 515 3HG1 VAL 515 1.586 11.755 7.494 45 3HG1 VAL 515 2HG1 VAL 515 1.574 9.992 7.411 46 1HG2 VAL 515 3HG2 VAL 515 -1.392 11.368 9.512 47 2HG2 VAL 515 2HG2 VAL 515 0.109 10.473 9.744 48 3HG2 VAL 515 1HG2 VAL 515 0.158 12.182 9.306 49 H ALA 516 H ALA 516 -1.254 13.264 4.784 50 HA ALA 516 HA ALA 516 -2.141 11.074 3.050 51 1HB ALA 516 1HB ALA 516 -1.178 13.873 2.372 52 2HB ALA 516 3HB ALA 516 -1.897 12.741 1.224 53 3HB ALA 516 2HB ALA 516 -2.863 13.385 2.555 54 H VAL 517 H VAL 517 -0.664 9.572 2.299 55 HA VAL 517 HA VAL 517 2.133 10.587 1.954 56 HB VAL 517 HB VAL 517 1.929 7.711 2.375 57 1HG1 VAL 517 2HG1 VAL 517 3.999 9.037 2.355 58 2HG1 VAL 517 1HG1 VAL 517 3.455 9.892 3.800 59 3HG1 VAL 517 3HG1 VAL 517 3.793 8.156 3.878 60 1HG2 VAL 517 1HG2 VAL 517 0.088 8.514 3.917 61 2HG2 VAL 517 3HG2 VAL 517 1.419 7.639 4.685 62 3HG2 VAL 517 2HG2 VAL 517 1.331 9.404 4.801 63 H THR 518 H THR 518 3.028 10.063 -0.040 64 HA THR 518 HA THR 518 1.262 8.587 -1.913 65 HB THR 518 HB THR 518 1.946 10.651 -2.874 66 HG1 THR 518 HG1 THR 518 3.155 9.972 -4.583 67 1HG2 THR 518 1HG2 THR 518 4.670 9.986 -1.740 68 2HG2 THR 518 3HG2 THR 518 4.402 11.293 -2.893 69 3HG2 THR 518 2HG2 THR 518 3.627 11.342 -1.310 70 H PHE 519 H PHE 519 1.777 6.528 -2.424 71 HA PHE 519 HA PHE 519 4.559 5.626 -1.844 72 1HB PHE 519 2HB PHE 519 2.429 3.554 -1.968 73 2HB PHE 519 1HB PHE 519 3.863 3.623 -0.972 74 HD1 PHE 519 HD2 PHE 519 0.682 5.619 -1.368 75 HD2 PHE 519 HD1 PHE 519 3.522 3.801 1.271 76 HE1 PHE 519 HE2 PHE 519 -0.644 6.377 0.575 77 HE2 PHE 519 HE1 PHE 519 2.196 4.564 3.214 78 HZ PHE 519 HZ PHE 519 0.127 5.838 2.852 79 H ASP 520 H ASP 520 5.277 3.842 -3.203 80 HA ASP 520 HA ASP 520 3.889 3.679 -5.819 81 1HB ASP 520 2HB ASP 520 6.680 4.572 -5.217 82 2HB ASP 520 1HB ASP 520 6.431 3.567 -6.639 83 H LEU 521 H LEU 521 4.216 1.627 -6.836 84 HA LEU 521 HA LEU 521 5.868 -0.371 -5.385 85 1HB LEU 521 2HB LEU 521 3.469 -0.373 -4.462 86 2HB LEU 521 1HB LEU 521 2.951 -0.903 -6.056 87 HG LEU 521 HG LEU 521 3.186 -2.929 -4.917 88 1HD1 LEU 521 3HD1 LEU 521 4.530 -2.931 -7.000 89 2HD1 LEU 521 2HD1 LEU 521 5.941 -2.443 -6.075 90 3HD1 LEU 521 1HD1 LEU 521 5.209 -4.017 -5.784 91 1HD2 LEU 521 1HD2 LEU 521 4.704 -1.423 -3.133 92 2HD2 LEU 521 3HD2 LEU 521 4.337 -3.145 -2.977 93 3HD2 LEU 521 2HD2 LEU 521 5.844 -2.625 -3.738 94 H THR 522 H THR 522 7.160 -0.302 -7.285 95 HA THR 522 HA THR 522 5.920 -0.687 -9.862 96 HB THR 522 HB THR 522 8.816 -1.027 -9.045 97 HG1 THR 522 HG1 THR 522 7.684 1.116 -10.474 98 1HG2 THR 522 3HG2 THR 522 7.388 -1.478 -11.555 99 2HG2 THR 522 2HG2 THR 522 8.701 -0.313 -11.724 100 3HG2 THR 522 1HG2 THR 522 9.031 -1.930 -11.103 101 H ALA 523 H ALA 523 4.894 -2.518 -10.381 102 HA ALA 523 HA ALA 523 6.373 -5.054 -10.047 103 1HB ALA 523 1HB ALA 523 4.737 -4.584 -8.063 104 2HB ALA 523 3HB ALA 523 3.490 -4.961 -9.234 105 3HB ALA 523 2HB ALA 523 4.707 -6.165 -8.835 106 H THR 524 H THR 524 3.607 -6.194 -10.754 107 HA THR 524 HA THR 524 2.609 -5.237 -13.188 108 HB THR 524 HB THR 524 4.624 -5.275 -14.368 109 HG1 THR 524 HG1 THR 524 4.658 -7.248 -15.537 110 1HG2 THR 524 3HG2 THR 524 5.299 -6.967 -12.153 111 2HG2 THR 524 2HG2 THR 524 5.927 -7.670 -13.656 112 3HG2 THR 524 1HG2 THR 524 6.370 -6.025 -13.190 113 H THR 525 H THR 525 0.767 -6.427 -13.138 114 HA THR 525 HA THR 525 1.045 -9.358 -13.329 115 HB THR 525 HB THR 525 1.231 -8.668 -10.807 116 HG1 THR 525 HG1 THR 525 0.984 -10.792 -11.582 117 1HG2 THR 525 2HG2 THR 525 -1.076 -7.361 -11.250 118 2HG2 THR 525 1HG2 THR 525 -1.734 -8.932 -10.791 119 3HG2 THR 525 3HG2 THR 525 -0.675 -8.061 -9.682 120 H THR 526 H THR 526 -1.518 -10.107 -12.508 121 HA THR 526 HA THR 526 -3.135 -9.596 -14.746 122 HB THR 526 HB THR 526 -3.972 -11.312 -13.366 123 HG1 THR 526 HG1 THR 526 -5.771 -10.253 -13.881 124 1HG2 THR 526 1HG2 THR 526 -3.532 -9.347 -11.114 125 2HG2 THR 526 3HG2 THR 526 -4.457 -10.833 -10.904 126 3HG2 THR 526 2HG2 THR 526 -2.754 -10.911 -11.356 127 H TYR 527 H TYR 527 -3.232 -7.766 -15.513 128 HA TYR 527 HA TYR 527 -3.546 -5.367 -14.034 129 1HB TYR 527 2HB TYR 527 -2.818 -5.902 -16.556 130 2HB TYR 527 1HB TYR 527 -4.534 -5.618 -16.858 131 HD1 TYR 527 HD2 TYR 527 -4.717 -3.801 -14.394 132 HD2 TYR 527 HD1 TYR 527 -2.144 -3.768 -17.776 133 HE1 TYR 527 HE2 TYR 527 -4.558 -1.355 -14.240 134 HE2 TYR 527 HE1 TYR 527 -1.952 -1.323 -17.568 135 HH TYR 527 HH TYR 527 -4.084 0.520 -15.796 136 H GLY 528 H GLY 528 -5.183 -5.778 -12.560 137 1HA GLY 528 2HA GLY 528 -7.831 -5.076 -13.061 138 2HA GLY 528 1HA GLY 528 -7.785 -6.829 -13.238 139 H GLU 529 H GLU 529 -5.530 -6.928 -11.183 140 HA GLU 529 HA GLU 529 -7.226 -7.084 -8.776 141 1HB GLU 529 2HB GLU 529 -5.280 -8.203 -7.793 142 2HB GLU 529 1HB GLU 529 -5.612 -8.896 -9.384 143 1HG GLU 529 2HG GLU 529 -3.854 -7.643 -10.402 144 2HG GLU 529 1HG GLU 529 -3.663 -6.633 -8.970 145 H ASN 530 H ASN 530 -5.127 -6.512 -6.811 146 HA ASN 530 HA ASN 530 -4.326 -3.712 -7.463 147 1HB ASN 530 2HB ASN 530 -6.713 -4.015 -6.276 148 2HB ASN 530 1HB ASN 530 -5.689 -4.072 -4.842 149 1HD2 ASN 530 2HD2 ASN 530 -4.634 -0.654 -5.174 150 2HD2 ASN 530 1HD2 ASN 530 -4.145 -2.162 -4.562 151 H ILE 531 H ILE 531 -2.456 -3.054 -6.390 152 HA ILE 531 HA ILE 531 -1.261 -5.078 -4.519 153 HB ILE 531 HB ILE 531 -0.048 -4.306 -6.703 154 1HG1 ILE 531 2HG1 ILE 531 1.668 -3.909 -4.321 155 2HG1 ILE 531 1HG1 ILE 531 0.956 -5.484 -4.625 156 1HG2 ILE 531 1HG2 ILE 531 -0.412 -1.880 -6.322 157 2HG2 ILE 531 3HG2 ILE 531 0.602 -1.982 -4.892 158 3HG2 ILE 531 2HG2 ILE 531 1.298 -2.290 -6.475 159 1HD1 ILE 531 2HD1 ILE 531 2.290 -4.068 -6.913 160 2HD1 ILE 531 1HD1 ILE 531 3.315 -4.815 -5.653 161 3HD1 ILE 531 3HD1 ILE 531 2.151 -5.802 -6.552 162 H TYR 532 H TYR 532 -1.740 -4.496 -2.475 163 HA TYR 532 HA TYR 532 -2.331 -1.691 -1.850 164 1HB TYR 532 2HB TYR 532 -2.957 -4.326 -0.827 165 2HB TYR 532 1HB TYR 532 -2.755 -3.095 0.418 166 HD1 TYR 532 HD2 TYR 532 -4.421 -3.832 -2.812 167 HD2 TYR 532 HD1 TYR 532 -4.312 -1.438 0.790 168 HE1 TYR 532 HE2 TYR 532 -6.767 -3.072 -3.243 169 HE2 TYR 532 HE1 TYR 532 -6.662 -0.673 0.339 170 HH TYR 532 HH TYR 532 -8.266 -1.335 -2.679 171 H LEU 533 H LEU 533 -2.115 -1.345 0.659 172 HA LEU 533 HA LEU 533 0.610 -1.890 1.555 173 1HB LEU 533 2HB LEU 533 -0.055 0.514 0.324 174 2HB LEU 533 1HB LEU 533 -0.059 0.884 2.049 175 HG LEU 533 HG LEU 533 2.198 -0.797 1.318 176 1HD1 LEU 533 1HD1 LEU 533 1.847 0.437 -0.843 177 2HD1 LEU 533 3HD1 LEU 533 2.039 1.950 0.043 178 3HD1 LEU 533 2HD1 LEU 533 3.385 0.815 -0.062 179 1HD2 LEU 533 1HD2 LEU 533 1.490 1.466 3.006 180 2HD2 LEU 533 3HD2 LEU 533 2.795 0.295 3.208 181 3HD2 LEU 533 2HD2 LEU 533 3.043 1.730 2.211 182 H VAL 534 H VAL 534 -0.481 -3.175 3.158 183 HA VAL 534 HA VAL 534 -2.252 -1.800 5.070 184 HB VAL 534 HB VAL 534 -2.307 -4.277 4.108 185 1HG1 VAL 534 3HG1 VAL 534 -0.850 -4.659 6.662 186 2HG1 VAL 534 2HG1 VAL 534 -1.660 -5.899 5.724 187 3HG1 VAL 534 1HG1 VAL 534 -0.240 -5.074 5.055 188 1HG2 VAL 534 1HG2 VAL 534 -3.406 -3.173 6.503 189 2HG2 VAL 534 3HG2 VAL 534 -4.119 -4.263 5.341 190 3HG2 VAL 534 2HG2 VAL 534 -3.131 -4.930 6.638 191 H GLY 535 H GLY 535 -1.062 -0.375 6.245 192 1HA GLY 535 2HA GLY 535 1.446 -1.260 7.653 193 2HA GLY 535 1HA GLY 535 1.015 0.434 7.366 194 H SER 536 H SER 536 1.462 -0.889 10.085 195 HA SER 536 HA SER 536 -1.107 -1.538 11.309 196 1HB SER 536 2HB SER 536 0.991 -2.293 12.306 197 2HB SER 536 1HB SER 536 1.458 -0.643 12.658 198 HG SER 536 HG SER 536 0.404 -0.981 14.440 199 H ILE 537 H ILE 537 -2.432 0.172 10.712 200 HA ILE 537 HA ILE 537 -2.441 2.299 12.596 201 HB ILE 537 HB ILE 537 -3.037 3.176 9.873 202 1HG1 ILE 537 2HG1 ILE 537 -0.224 2.572 10.825 203 2HG1 ILE 537 1HG1 ILE 537 -1.048 1.790 9.487 204 1HG2 ILE 537 3HG2 ILE 537 -2.360 4.299 12.422 205 2HG2 ILE 537 2HG2 ILE 537 -1.166 4.827 11.240 206 3HG2 ILE 537 1HG2 ILE 537 -2.877 5.144 10.963 207 1HD1 ILE 537 1HD1 ILE 537 -0.447 4.749 9.578 208 2HD1 ILE 537 3HD1 ILE 537 0.590 3.567 8.789 209 3HD1 ILE 537 2HD1 ILE 537 -1.044 3.827 8.196 210 H SER 538 H SER 538 -4.534 3.187 12.901 211 HA SER 538 HA SER 538 -6.545 1.140 12.433 212 1HB SER 538 2HB SER 538 -6.501 2.853 14.370 213 2HB SER 538 1HB SER 538 -7.189 3.999 13.222 214 HG SER 538 HG SER 538 -8.980 3.096 13.925 215 H GLN 539 H GLN 539 -5.799 4.166 10.800 216 HA GLN 539 HA GLN 539 -8.113 3.894 8.998 217 1HB GLN 539 2HB GLN 539 -6.749 6.093 9.742 218 2HB GLN 539 1HB GLN 539 -5.784 5.654 8.333 219 1HG GLN 539 2HG GLN 539 -8.787 5.737 8.148 220 2HG GLN 539 1HG GLN 539 -7.844 7.219 7.994 221 1HE2 GLN 539 2HE2 GLN 539 -6.354 6.237 4.871 222 2HE2 GLN 539 1HE2 GLN 539 -6.086 7.175 6.260 223 H LEU 540 H LEU 540 -4.853 2.981 9.379 224 HA LEU 540 HA LEU 540 -4.788 1.664 6.736 225 1HB LEU 540 2HB LEU 540 -3.084 3.547 7.232 226 2HB LEU 540 1HB LEU 540 -2.400 2.412 8.377 227 HG LEU 540 HG LEU 540 -2.505 0.809 6.232 228 1HD1 LEU 540 3HD1 LEU 540 -2.326 3.657 5.225 229 2HD1 LEU 540 2HD1 LEU 540 -1.689 2.290 4.304 230 3HD1 LEU 540 1HD1 LEU 540 -3.410 2.377 4.680 231 1HD2 LEU 540 1HD2 LEU 540 -0.526 1.440 7.665 232 2HD2 LEU 540 3HD2 LEU 540 -0.128 1.311 5.948 233 3HD2 LEU 540 2HD2 LEU 540 -0.346 2.897 6.686 234 H GLY 541 H GLY 541 -6.148 0.255 8.328 235 1HA GLY 541 2HA GLY 541 -5.640 -0.992 10.596 236 2HA GLY 541 1HA GLY 541 -6.143 -1.959 9.225 237 H ASP 542 H ASP 542 -4.050 -2.095 7.715 238 HA ASP 542 HA ASP 542 -1.824 -3.036 7.413 239 1HB ASP 542 2HB ASP 542 -1.302 -1.909 9.701 240 2HB ASP 542 1HB ASP 542 -1.548 -3.483 10.300 241 H TRP 543 H TRP 543 -4.040 -4.220 9.669 242 HA TRP 543 HA TRP 543 -3.121 -6.957 9.147 243 1HB TRP 543 2HB TRP 543 -4.357 -5.945 11.695 244 2HB TRP 543 1HB TRP 543 -3.334 -7.361 11.442 245 HD1 TRP 543 HD1 TRP 543 -2.951 -3.892 12.779 246 HE1 TRP 543 HE1 TRP 543 -0.532 -3.193 12.789 247 HE3 TRP 543 HE3 TRP 543 -0.990 -7.253 9.435 248 HZ2 TRP 543 HZ2 TRP 543 1.930 -3.810 11.496 249 HZ3 TRP 543 HZ3 TRP 543 1.416 -7.152 8.855 250 HH2 TRP 543 HH2 TRP 543 2.875 -5.422 9.869 251 H GLU 544 H GLU 544 -4.864 -5.509 7.680 252 HA GLU 544 HA GLU 544 -7.025 -7.201 7.173 253 1HB GLU 544 2HB GLU 544 -7.913 -6.135 9.337 254 2HB GLU 544 1HB GLU 544 -7.912 -4.607 8.460 255 1HG GLU 544 2HG GLU 544 -9.366 -5.628 6.724 256 2HG GLU 544 1HG GLU 544 -9.441 -7.104 7.688 257 H THR 545 H THR 545 -6.219 -6.799 5.080 258 HA THR 545 HA THR 545 -5.379 -4.300 4.133 259 HB THR 545 HB THR 545 -5.982 -5.165 1.820 260 HG1 THR 545 HG1 THR 545 -6.862 -7.265 1.741 261 1HG2 THR 545 1HG2 THR 545 -4.027 -6.057 3.523 262 2HG2 THR 545 3HG2 THR 545 -4.803 -7.560 3.030 263 3HG2 THR 545 2HG2 THR 545 -4.138 -6.478 1.812 264 H SER 546 H SER 546 -8.564 -5.320 4.987 265 HA SER 546 HA SER 546 -10.261 -4.046 3.172 266 1HB SER 546 2HB SER 546 -11.101 -5.375 5.052 267 2HB SER 546 1HB SER 546 -10.522 -4.163 6.191 268 HG SER 546 HG SER 546 -12.811 -4.055 5.530 269 H ASP 547 H ASP 547 -8.013 -2.594 5.350 270 HA ASP 547 HA ASP 547 -8.880 0.065 4.392 271 1HB ASP 547 2HB ASP 547 -8.796 -0.853 7.251 272 2HB ASP 547 1HB ASP 547 -8.445 0.832 6.865 273 H GLY 548 H GLY 548 -6.516 -1.563 3.736 274 1HA GLY 548 2HA GLY 548 -4.304 -0.321 5.212 275 2HA GLY 548 1HA GLY 548 -4.153 -1.473 3.876 276 H ILE 549 H ILE 549 -3.353 -0.550 2.059 277 HA ILE 549 HA ILE 549 -4.523 1.934 1.141 278 HB ILE 549 HB ILE 549 -1.912 1.939 2.480 279 1HG1 ILE 549 2HG1 ILE 549 -3.851 4.090 1.586 280 2HG1 ILE 549 1HG1 ILE 549 -3.785 3.345 3.179 281 1HG2 ILE 549 1HG2 ILE 549 -2.178 3.183 -0.263 282 2HG2 ILE 549 3HG2 ILE 549 -1.026 3.776 0.943 283 3HG2 ILE 549 2HG2 ILE 549 -0.898 2.125 0.325 284 1HD1 ILE 549 3HD1 ILE 549 -1.272 4.146 3.115 285 2HD1 ILE 549 2HD1 ILE 549 -1.887 5.290 1.923 286 3HD1 ILE 549 1HD1 ILE 549 -2.551 5.276 3.557 287 H ALA 550 H ALA 550 -5.202 0.930 -0.607 288 HA ALA 550 HA ALA 550 -3.853 -0.866 -2.308 289 1HB ALA 550 3HB ALA 550 -6.349 0.279 -2.189 290 2HB ALA 550 2HB ALA 550 -5.691 0.907 -3.698 291 3HB ALA 550 1HB ALA 550 -5.780 -0.832 -3.434 292 H LEU 551 H LEU 551 -3.029 -0.594 -4.423 293 HA LEU 551 HA LEU 551 -2.115 2.151 -5.164 294 1HB LEU 551 2HB LEU 551 -0.419 -0.366 -5.166 295 2HB LEU 551 1HB LEU 551 0.078 1.157 -5.881 296 HG LEU 551 HG LEU 551 -0.491 2.112 -3.487 297 1HD1 LEU 551 3HD1 LEU 551 -1.385 -0.114 -2.710 298 2HD1 LEU 551 2HD1 LEU 551 0.258 -0.741 -2.821 299 3HD1 LEU 551 1HD1 LEU 551 -0.119 0.557 -1.687 300 1HD2 LEU 551 3HD2 LEU 551 1.766 1.832 -4.743 301 2HD2 LEU 551 2HD2 LEU 551 1.817 2.014 -2.989 302 3HD2 LEU 551 1HD2 LEU 551 1.987 0.418 -3.714 303 H SER 552 H SER 552 -2.442 2.595 -7.384 304 HA SER 552 HA SER 552 -3.227 0.234 -9.043 305 1HB SER 552 2HB SER 552 -4.853 2.349 -8.581 306 2HB SER 552 1HB SER 552 -4.001 2.885 -10.032 307 HG SER 552 HG SER 552 -5.770 0.782 -9.684 308 H ALA 553 H ALA 553 -2.891 0.962 -11.667 309 HA ALA 553 HA ALA 553 -0.033 1.622 -11.616 310 1HB ALA 553 3HB ALA 553 -1.748 0.481 -13.799 311 2HB ALA 553 2HB ALA 553 -0.128 1.055 -14.092 312 3HB ALA 553 1HB ALA 553 -0.385 -0.270 -12.975 313 H ASP 554 H ASP 554 0.852 3.364 -12.225 314 HA ASP 554 HA ASP 554 -0.169 5.874 -12.590 315 1HB ASP 554 2HB ASP 554 1.898 6.420 -13.868 316 2HB ASP 554 1HB ASP 554 2.198 5.534 -12.376 317 H LYS 555 H LYS 555 -2.159 5.630 -13.832 318 HA LYS 555 HA LYS 555 -3.353 6.060 -15.787 319 1HB LYS 555 2HB LYS 555 -0.686 6.613 -17.079 320 2HB LYS 555 1HB LYS 555 -2.249 7.356 -17.432 321 1HG LYS 555 2HG LYS 555 -1.807 8.965 -15.915 322 2HG LYS 555 1HG LYS 555 -1.747 7.734 -14.651 323 1HD LYS 555 2HD LYS 555 0.691 7.424 -15.914 324 2HD LYS 555 1HD LYS 555 0.450 9.171 -15.952 325 1HE LYS 555 2HE LYS 555 0.025 7.537 -13.440 326 2HE LYS 555 1HE LYS 555 1.587 8.250 -13.853 327 1HZ LYS 555 3HZ LYS 555 -0.676 10.042 -14.050 328 2HZ LYS 555 2HZ LYS 555 -0.318 9.515 -12.475 329 3HZ LYS 555 1HZ LYS 555 0.867 10.308 -13.398 330 H TYR 556 H TYR 556 -1.377 3.441 -15.471 331 HA TYR 556 HA TYR 556 -1.112 2.338 -18.068 332 1HB TYR 556 2HB TYR 556 -1.459 1.185 -15.340 333 2HB TYR 556 1HB TYR 556 -1.340 0.112 -16.695 334 HD1 TYR 556 HD2 TYR 556 0.459 2.819 -17.629 335 HD2 TYR 556 HD1 TYR 556 0.843 -0.507 -14.786 336 HE1 TYR 556 HE2 TYR 556 2.891 3.050 -17.668 337 HE2 TYR 556 HE1 TYR 556 3.260 -0.262 -14.961 338 HH TYR 556 HH TYR 556 4.812 2.498 -16.205 339 H THR 557 H THR 557 -2.445 0.014 -18.117 340 HA THR 557 HA THR 557 -5.051 0.717 -19.135 341 HB THR 557 HB THR 557 -3.831 -2.013 -18.854 342 HG1 THR 557 HG1 THR 557 -3.606 0.034 -20.785 343 1HG2 THR 557 3HG2 THR 557 -6.377 -1.118 -19.751 344 2HG2 THR 557 2HG2 THR 557 -5.456 -1.589 -21.180 345 3HG2 THR 557 1HG2 THR 557 -5.699 -2.743 -19.868 346 H SER 558 H SER 558 -5.390 -2.372 -17.882 347 HA SER 558 HA SER 558 -7.856 -1.949 -16.716 348 1HB SER 558 2HB SER 558 -5.878 -4.183 -16.332 349 2HB SER 558 1HB SER 558 -7.506 -4.224 -15.660 350 HG SER 558 HG SER 558 -8.098 -4.846 -17.568 351 H SER 559 H SER 559 -6.196 -3.696 -14.255 352 HA SER 559 HA SER 559 -7.011 -1.517 -12.416 353 1HB SER 559 2HB SER 559 -5.988 -4.281 -11.891 354 2HB SER 559 1HB SER 559 -6.188 -3.097 -10.616 355 HG SER 559 HG SER 559 -8.338 -2.986 -11.042 356 H ASP 560 H ASP 560 -3.777 -3.280 -12.708 357 HA ASP 560 HA ASP 560 -2.418 -0.746 -12.674 358 1HB ASP 560 2HB ASP 560 -1.660 -0.839 -10.263 359 2HB ASP 560 1HB ASP 560 -3.317 -0.360 -10.587 360 HA PRO 561 HA PRO 561 0.625 -4.384 -12.803 361 1HB PRO 561 2HB PRO 561 1.976 -3.665 -15.082 362 2HB PRO 561 1HB PRO 561 0.593 -4.771 -15.022 363 1HG PRO 561 2HG PRO 561 0.697 -1.939 -15.918 364 2HG PRO 561 1HG PRO 561 -0.398 -3.232 -16.415 365 1HD PRO 561 2HD PRO 561 -1.083 -1.172 -14.644 366 2HD PRO 561 1HD PRO 561 -1.933 -2.711 -14.815 367 H LEU 562 H LEU 562 1.357 -0.889 -13.072 368 HA LEU 562 HA LEU 562 3.970 -1.595 -11.785 369 1HB LEU 562 2HB LEU 562 5.019 0.422 -12.392 370 2HB LEU 562 1HB LEU 562 4.330 -0.236 -13.852 371 HG LEU 562 HG LEU 562 3.529 1.840 -14.144 372 1HD1 LEU 562 2HD1 LEU 562 1.529 0.457 -13.210 373 2HD1 LEU 562 1HD1 LEU 562 1.666 1.538 -11.841 374 3HD1 LEU 562 3HD1 LEU 562 1.350 2.169 -13.448 375 1HD2 LEU 562 2HD2 LEU 562 4.261 2.131 -11.273 376 2HD2 LEU 562 1HD2 LEU 562 4.733 3.122 -12.654 377 3HD2 LEU 562 3HD2 LEU 562 3.128 3.317 -11.936 378 H TRP 563 H TRP 563 0.955 -0.612 -11.160 379 HA TRP 563 HA TRP 563 -0.065 0.392 -9.329 380 1HB TRP 563 2HB TRP 563 2.205 -0.655 -7.746 381 2HB TRP 563 1HB TRP 563 0.477 -0.791 -7.478 382 HD1 TRP 563 HD1 TRP 563 3.092 -2.151 -10.041 383 HE1 TRP 563 HE1 TRP 563 2.477 -4.543 -10.709 384 HE3 TRP 563 HE3 TRP 563 -1.392 -2.472 -7.684 385 HZ2 TRP 563 HZ2 TRP 563 0.281 -6.318 -10.307 386 HZ3 TRP 563 HZ3 TRP 563 -2.731 -4.535 -7.906 387 HH2 TRP 563 HH2 TRP 563 -1.903 -6.443 -9.201 388 H TYR 564 H TYR 564 -0.156 2.163 -7.778 389 HA TYR 564 HA TYR 564 2.264 3.617 -7.000 390 1HB TYR 564 2HB TYR 564 1.480 5.790 -8.043 391 2HB TYR 564 1HB TYR 564 1.998 4.597 -9.231 392 HD1 TYR 564 HD1 TYR 564 -1.042 3.770 -7.613 393 HD2 TYR 564 HD2 TYR 564 0.512 6.016 -10.878 394 HE1 TYR 564 HE1 TYR 564 -3.236 3.818 -8.529 395 HE2 TYR 564 HE2 TYR 564 -1.783 6.106 -11.856 396 HH TYR 564 HH TYR 564 -4.579 4.989 -10.080 397 H VAL 565 H VAL 565 0.889 6.015 -6.065 398 HA VAL 565 HA VAL 565 -1.699 5.652 -5.121 399 HB VAL 565 HB VAL 565 -1.292 3.662 -3.980 400 1HG1 VAL 565 2HG1 VAL 565 1.255 4.935 -2.974 401 2HG1 VAL 565 1HG1 VAL 565 0.663 3.359 -2.468 402 3HG1 VAL 565 3HG1 VAL 565 1.133 3.631 -4.143 403 1HG2 VAL 565 1HG2 VAL 565 -0.987 5.908 -1.972 404 2HG2 VAL 565 3HG2 VAL 565 -2.484 5.146 -2.503 405 3HG2 VAL 565 2HG2 VAL 565 -1.324 4.236 -1.540 406 H THR 566 H THR 566 -2.379 6.946 -3.405 407 HA THR 566 HA THR 566 -0.608 8.794 -2.017 408 HB THR 566 HB THR 566 -2.468 9.823 -4.192 409 HG1 THR 566 HG1 THR 566 -0.627 10.515 -5.133 410 1HG2 THR 566 1HG2 THR 566 -1.710 10.991 -1.685 411 2HG2 THR 566 3HG2 THR 566 -0.921 11.888 -2.984 412 3HG2 THR 566 2HG2 THR 566 -2.675 11.704 -2.978 413 H VAL 567 H VAL 567 -1.856 7.445 -0.426 414 HA VAL 567 HA VAL 567 -4.730 8.210 -0.216 415 HB VAL 567 HB VAL 567 -3.490 6.203 1.616 416 1HG1 VAL 567 2HG1 VAL 567 -6.090 7.055 0.852 417 2HG1 VAL 567 1HG1 VAL 567 -5.895 5.410 0.247 418 3HG1 VAL 567 3HG1 VAL 567 -5.669 5.750 1.962 419 1HG2 VAL 567 1HG2 VAL 567 -3.684 5.974 -1.358 420 2HG2 VAL 567 3HG2 VAL 567 -2.511 5.257 -0.253 421 3HG2 VAL 567 2HG2 VAL 567 -4.127 4.564 -0.396 422 H THR 568 H THR 568 -5.017 7.709 2.568 423 HA THR 568 HA THR 568 -3.368 9.884 3.766 424 HB THR 568 HB THR 568 -5.625 10.274 5.107 425 HG1 THR 568 HG1 THR 568 -7.370 9.976 3.608 426 1HG2 THR 568 3HG2 THR 568 -4.481 11.363 2.645 427 2HG2 THR 568 2HG2 THR 568 -6.217 11.645 2.772 428 3HG2 THR 568 1HG2 THR 568 -5.136 12.208 4.047 429 H LEU 569 H LEU 569 -3.518 9.846 6.195 430 HA LEU 569 HA LEU 569 -4.230 7.332 7.502 431 1HB LEU 569 2HB LEU 569 -2.015 6.851 6.382 432 2HB LEU 569 1HB LEU 569 -1.302 8.143 7.343 433 HG LEU 569 HG LEU 569 -0.960 5.842 8.259 434 1HD1 LEU 569 1HD1 LEU 569 -0.993 7.998 9.628 435 2HD1 LEU 569 3HD1 LEU 569 -2.616 7.523 10.136 436 3HD1 LEU 569 2HD1 LEU 569 -1.238 6.500 10.527 437 1HD2 LEU 569 3HD2 LEU 569 -3.600 5.415 7.676 438 2HD2 LEU 569 2HD2 LEU 569 -2.682 4.427 8.815 439 3HD2 LEU 569 1HD2 LEU 569 -3.688 5.751 9.403 440 HA PRO 570 HA PRO 570 -4.332 11.150 10.042 441 1HB PRO 570 2HB PRO 570 -6.929 10.813 10.858 442 2HB PRO 570 1HB PRO 570 -6.474 11.642 9.360 443 1HG PRO 570 2HG PRO 570 -7.656 8.932 9.716 444 2HG PRO 570 1HG PRO 570 -7.732 10.013 8.315 445 1HD PRO 570 2HD PRO 570 -6.033 7.752 8.603 446 2HD PRO 570 1HD PRO 570 -5.938 8.986 7.331 447 H ALA 571 H ALA 571 -3.014 10.434 11.751 448 HA ALA 571 HA ALA 571 -4.405 9.306 14.044 449 1HB ALA 571 3HB ALA 571 -2.433 7.646 12.484 450 2HB ALA 571 2HB ALA 571 -2.683 7.382 14.211 451 3HB ALA 571 1HB ALA 571 -4.026 7.188 13.086 452 H GLY 572 H GLY 572 -0.977 9.334 12.952 453 1HA GLY 572 2HA GLY 572 0.691 10.909 13.691 454 2HA GLY 572 1HA GLY 572 -0.411 11.446 14.956 455 H GLU 573 H GLU 573 1.245 8.403 14.010 456 HA GLU 573 HA GLU 573 2.547 8.210 16.602 457 1HB GLU 573 2HB GLU 573 -0.057 7.276 16.561 458 2HB GLU 573 1HB GLU 573 0.887 5.815 16.269 459 1HG GLU 573 2HG GLU 573 2.077 6.030 18.292 460 2HG GLU 573 1HG GLU 573 1.654 7.734 18.462 461 H SER 574 H SER 574 3.222 5.578 16.707 462 HA SER 574 HA SER 574 4.895 5.217 14.297 463 1HB SER 574 2HB SER 574 5.432 4.631 16.844 464 2HB SER 574 1HB SER 574 4.616 3.124 16.437 465 HG SER 574 HG SER 574 6.859 3.019 16.014 466 H PHE 575 H PHE 575 3.870 4.598 12.614 467 HA PHE 575 HA PHE 575 1.703 2.551 12.762 468 1HB PHE 575 2HB PHE 575 2.658 4.423 10.582 469 2HB PHE 575 1HB PHE 575 1.252 3.377 10.493 470 HD1 PHE 575 HD2 PHE 575 0.307 3.612 13.345 471 HD2 PHE 575 HD1 PHE 575 1.655 6.584 10.554 472 HE1 PHE 575 HE2 PHE 575 -0.960 5.340 14.580 473 HE2 PHE 575 HE1 PHE 575 0.389 8.317 11.800 474 HZ PHE 575 HZ PHE 575 -0.905 7.692 13.814 475 H GLU 576 H GLU 576 2.152 0.523 11.952 476 HA GLU 576 HA GLU 576 4.854 -0.106 11.031 477 1HB GLU 576 2HB GLU 576 2.393 -1.833 11.265 478 2HB GLU 576 1HB GLU 576 3.924 -2.416 10.650 479 1HG GLU 576 2HG GLU 576 3.495 -2.825 13.135 480 2HG GLU 576 1HG GLU 576 5.025 -2.052 12.726 481 H TYR 577 H TYR 577 5.084 -1.268 8.839 482 HA TYR 577 HA TYR 577 3.010 -0.329 6.974 483 1HB TYR 577 2HB TYR 577 5.757 0.746 7.164 484 2HB TYR 577 1HB TYR 577 5.136 0.452 5.534 485 HD1 TYR 577 HD2 TYR 577 4.447 2.277 8.763 486 HD2 TYR 577 HD1 TYR 577 3.344 1.712 4.624 487 HE1 TYR 577 HE2 TYR 577 2.961 4.244 8.856 488 HE2 TYR 577 HE1 TYR 577 1.858 3.686 4.760 489 HH TYR 577 HH TYR 577 2.042 5.972 7.014 490 H LYS 578 H LYS 578 2.801 -2.736 7.200 491 HA LYS 578 HA LYS 578 4.726 -4.341 5.672 492 1HB LYS 578 2HB LYS 578 2.553 -4.852 7.486 493 2HB LYS 578 1HB LYS 578 2.217 -5.680 5.966 494 1HG LYS 578 2HG LYS 578 3.581 -7.022 7.631 495 2HG LYS 578 1HG LYS 578 4.319 -6.842 6.038 496 1HD LYS 578 2HD LYS 578 6.118 -5.872 6.971 497 2HD LYS 578 1HD LYS 578 5.092 -4.598 7.634 498 1HE LYS 578 2HE LYS 578 5.394 -5.426 9.702 499 2HE LYS 578 1HE LYS 578 4.681 -6.957 9.193 500 1HZ LYS 578 2HZ LYS 578 7.295 -6.746 8.167 501 2HZ LYS 578 1HZ LYS 578 7.334 -6.451 9.840 502 3HZ LYS 578 3HZ LYS 578 6.669 -7.895 9.249 503 H PHE 579 H PHE 579 4.649 -4.397 3.458 504 HA PHE 579 HA PHE 579 2.279 -3.172 2.151 505 1HB PHE 579 2HB PHE 579 4.621 -2.551 1.469 506 2HB PHE 579 1HB PHE 579 4.846 -4.209 0.904 507 HD1 PHE 579 HD1 PHE 579 2.850 -5.115 -0.590 508 HD2 PHE 579 HD2 PHE 579 3.874 -0.982 -0.099 509 HE1 PHE 579 HE1 PHE 579 1.693 -4.603 -2.669 510 HE2 PHE 579 HE2 PHE 579 2.702 -0.464 -2.229 511 HZ PHE 579 HZ PHE 579 1.611 -2.308 -3.477 512 H ILE 580 H ILE 580 0.954 -4.203 0.801 513 HA ILE 580 HA ILE 580 1.308 -7.123 0.604 514 HB ILE 580 HB ILE 580 -1.003 -7.461 1.151 515 1HG1 ILE 580 2HG1 ILE 580 -1.073 -4.603 0.409 516 2HG1 ILE 580 1HG1 ILE 580 -2.271 -5.889 0.125 517 1HG2 ILE 580 2HG2 ILE 580 0.228 -5.352 2.953 518 2HG2 ILE 580 1HG2 ILE 580 -1.204 -6.291 3.386 519 3HG2 ILE 580 3HG2 ILE 580 0.350 -7.099 3.146 520 1HD1 ILE 580 2HD1 ILE 580 -2.459 -5.590 2.816 521 2HD1 ILE 580 1HD1 ILE 580 -2.062 -3.943 2.328 522 3HD1 ILE 580 3HD1 ILE 580 -3.482 -4.743 1.659 523 H ARG 581 H ARG 581 0.607 -8.089 -1.286 524 HA ARG 581 HA ARG 581 -0.136 -6.164 -3.435 525 1HB ARG 581 2HB ARG 581 1.941 -7.218 -4.017 526 2HB ARG 581 1HB ARG 581 1.347 -8.803 -3.523 527 1HG ARG 581 2HG ARG 581 -0.101 -8.971 -5.384 528 2HG ARG 581 1HG ARG 581 -0.008 -7.242 -5.721 529 1HD ARG 581 2HD ARG 581 1.377 -8.291 -7.358 530 2HD ARG 581 1HD ARG 581 2.482 -7.605 -6.167 531 HE ARG 581 HE ARG 581 3.233 -9.804 -5.840 532 1HH1 ARG 581 1HH2 ARG 581 0.207 -9.879 -7.403 533 2HH1 ARG 581 2HH2 ARG 581 -0.132 -11.529 -6.998 534 1HH2 ARG 581 2HH1 ARG 581 2.673 -11.891 -4.993 535 2HH2 ARG 581 1HH1 ARG 581 1.265 -12.668 -5.633 536 H ILE 582 H ILE 582 -2.325 -6.219 -3.499 537 HA ILE 582 HA ILE 582 -3.761 -8.694 -2.934 538 HB ILE 582 HB ILE 582 -4.486 -5.956 -3.011 539 1HG1 ILE 582 2HG1 ILE 582 -5.060 -7.617 -1.307 540 2HG1 ILE 582 1HG1 ILE 582 -6.536 -6.890 -1.956 541 1HG2 ILE 582 1HG2 ILE 582 -5.909 -7.619 -5.089 542 2HG2 ILE 582 3HG2 ILE 582 -6.826 -6.462 -4.134 543 3HG2 ILE 582 2HG2 ILE 582 -5.495 -5.911 -5.133 544 1HD1 ILE 582 3HD1 ILE 582 -6.208 -8.889 -3.733 545 2HD1 ILE 582 2HD1 ILE 582 -5.474 -9.644 -2.303 546 3HD1 ILE 582 1HD1 ILE 582 -7.148 -9.084 -2.243 547 H GLU 583 H GLU 583 -4.884 -10.024 -4.345 548 HA GLU 583 HA GLU 583 -3.959 -9.852 -7.169 549 1HB GLU 583 2HB GLU 583 -3.468 -11.871 -5.547 550 2HB GLU 583 1HB GLU 583 -5.109 -12.345 -5.988 551 1HG GLU 583 2HG GLU 583 -4.560 -12.473 -8.303 552 2HG GLU 583 1HG GLU 583 -3.030 -11.630 -8.061 553 H SER 584 H SER 584 -5.497 -10.913 -8.747 554 HA SER 584 HA SER 584 -8.182 -9.753 -8.343 555 1HB SER 584 2HB SER 584 -7.157 -9.222 -10.457 556 2HB SER 584 1HB SER 584 -6.757 -10.911 -10.755 557 HG SER 584 HG SER 584 -8.605 -10.495 -11.884 558 H ASP 585 H ASP 585 -6.628 -12.882 -8.408 559 HA ASP 585 HA ASP 585 -9.287 -14.192 -8.494 560 1HB ASP 585 2HB ASP 585 -7.411 -16.169 -8.674 561 2HB ASP 585 1HB ASP 585 -8.225 -15.448 -10.051 562 H ASP 586 H ASP 586 -6.164 -15.217 -7.099 563 HA ASP 586 HA ASP 586 -7.374 -16.542 -4.891 564 1HB ASP 586 2HB ASP 586 -5.115 -17.104 -5.545 565 2HB ASP 586 1HB ASP 586 -4.569 -15.453 -5.249 566 H SER 587 H SER 587 -5.026 -14.170 -3.908 567 HA SER 587 HA SER 587 -6.933 -12.215 -2.949 568 1HB SER 587 2HB SER 587 -5.592 -13.748 -0.740 569 2HB SER 587 1HB SER 587 -6.968 -12.651 -0.654 570 HG SER 587 HG SER 587 -8.248 -14.249 -1.161 571 H VAL 588 H VAL 588 -5.138 -11.669 -0.552 572 HA VAL 588 HA VAL 588 -3.220 -10.070 -2.063 573 HB VAL 588 HB VAL 588 -2.880 -10.268 0.859 574 1HG1 VAL 588 1HG1 VAL 588 -2.999 -8.120 -1.237 575 2HG1 VAL 588 3HG1 VAL 588 -3.054 -7.711 0.479 576 3HG1 VAL 588 2HG1 VAL 588 -1.658 -8.562 -0.176 577 1HG2 VAL 588 2HG2 VAL 588 -5.415 -9.179 -0.364 578 2HG2 VAL 588 1HG2 VAL 588 -5.267 -10.452 0.848 579 3HG2 VAL 588 3HG2 VAL 588 -4.840 -8.795 1.261 580 H GLU 589 H GLU 589 -1.028 -9.912 -1.295 581 HA GLU 589 HA GLU 589 0.214 -12.433 -0.374 582 1HB GLU 589 2HB GLU 589 0.764 -12.581 -2.682 583 2HB GLU 589 1HB GLU 589 0.870 -10.826 -2.856 584 1HG GLU 589 2HG GLU 589 3.026 -10.783 -2.207 585 2HG GLU 589 1HG GLU 589 2.707 -11.860 -0.846 586 H TRP 590 H TRP 590 0.032 -11.074 1.593 587 HA TRP 590 HA TRP 590 1.013 -8.480 1.844 588 1HB TRP 590 2HB TRP 590 0.836 -10.752 3.808 589 2HB TRP 590 1HB TRP 590 1.454 -9.164 4.286 590 HD1 TRP 590 HD1 TRP 590 -1.150 -9.445 1.594 591 HE1 TRP 590 HE1 TRP 590 -3.340 -8.370 2.373 592 HE3 TRP 590 HE3 TRP 590 0.004 -8.672 6.490 593 HZ2 TRP 590 HZ2 TRP 590 -4.501 -7.384 4.875 594 HZ3 TRP 590 HZ3 TRP 590 -1.663 -7.642 8.001 595 HH2 TRP 590 HH2 TRP 590 -3.866 -7.020 7.249 596 H GLU 591 H GLU 591 2.890 -8.147 0.655 597 HA GLU 591 HA GLU 591 5.286 -9.711 1.077 598 1HB GLU 591 2HB GLU 591 4.501 -7.865 -0.754 599 2HB GLU 591 1HB GLU 591 5.626 -6.921 0.206 600 1HG GLU 591 2HG GLU 591 6.160 -9.557 -1.195 601 2HG GLU 591 1HG GLU 591 6.869 -7.990 -1.582 602 H SER 592 H SER 592 5.487 -9.737 3.340 603 HA SER 592 HA SER 592 5.644 -7.146 4.730 604 1HB SER 592 2HB SER 592 4.202 -8.950 5.616 605 2HB SER 592 1HB SER 592 5.621 -9.991 5.776 606 HG SER 592 HG SER 592 5.506 -9.069 7.728 607 H ASP 593 H ASP 593 7.742 -8.166 2.869 608 HA ASP 593 HA ASP 593 10.011 -8.673 4.697 609 1HB ASP 593 2HB ASP 593 9.515 -9.005 1.806 610 2HB ASP 593 1HB ASP 593 11.127 -8.414 2.208 611 HA PRO 594 HA PRO 594 11.347 -4.434 3.039 612 1HB PRO 594 2HB PRO 594 9.962 -3.288 0.962 613 2HB PRO 594 1HB PRO 594 11.347 -4.368 0.723 614 1HG PRO 594 2HG PRO 594 8.432 -4.936 0.363 615 2HG PRO 594 1HG PRO 594 9.824 -5.632 -0.483 616 1HD PRO 594 2HD PRO 594 8.399 -6.901 1.569 617 2HD PRO 594 1HD PRO 594 10.036 -7.329 1.024 618 H ASN 595 H ASN 595 10.069 -4.180 5.143 619 HA ASN 595 HA ASN 595 7.543 -2.637 4.752 620 1HB ASN 595 2HB ASN 595 6.940 -3.261 6.992 621 2HB ASN 595 1HB ASN 595 7.525 -4.723 6.197 622 1HD2 ASN 595 2HD2 ASN 595 9.211 -4.164 9.583 623 2HD2 ASN 595 1HD2 ASN 595 7.578 -4.079 9.127 624 H ARG 596 H ARG 596 7.239 -0.989 6.666 625 HA ARG 596 HA ARG 596 9.785 0.340 7.403 626 1HB ARG 596 2HB ARG 596 7.710 1.430 5.540 627 2HB ARG 596 1HB ARG 596 8.493 2.546 6.658 628 1HG ARG 596 2HG ARG 596 10.184 0.641 5.072 629 2HG ARG 596 1HG ARG 596 9.564 2.097 4.293 630 1HD ARG 596 2HD ARG 596 10.808 2.420 6.983 631 2HD ARG 596 1HD ARG 596 11.889 2.088 5.629 632 HE ARG 596 HE ARG 596 10.028 4.188 4.955 633 1HH1 ARG 596 1HH2 ARG 596 12.534 3.602 7.216 634 2HH1 ARG 596 2HH2 ARG 596 13.320 5.124 6.957 635 1HH2 ARG 596 2HH1 ARG 596 11.180 6.095 4.407 636 2HH2 ARG 596 1HH1 ARG 596 12.553 6.535 5.366 637 H GLU 597 H GLU 597 8.761 2.647 8.505 638 HA GLU 597 HA GLU 597 6.479 1.900 10.238 639 1HB GLU 597 2HB GLU 597 7.989 2.747 12.221 640 2HB GLU 597 1HB GLU 597 8.117 1.071 11.685 641 1HG GLU 597 2HG GLU 597 10.050 1.623 10.297 642 2HG GLU 597 1HG GLU 597 9.896 3.329 10.720 643 H TYR 598 H TYR 598 5.588 3.704 8.928 644 HA TYR 598 HA TYR 598 6.690 6.324 8.976 645 1HB TYR 598 2HB TYR 598 4.765 5.204 7.547 646 2HB TYR 598 1HB TYR 598 3.744 5.856 8.830 647 HD1 TYR 598 HD2 TYR 598 4.371 8.342 9.548 648 HD2 TYR 598 HD1 TYR 598 5.205 6.548 5.739 649 HE1 TYR 598 HE2 TYR 598 4.483 10.593 8.536 650 HE2 TYR 598 HE1 TYR 598 5.346 8.805 4.712 651 HH TYR 598 HH TYR 598 4.109 11.322 5.658 652 H THR 599 H THR 599 7.224 6.828 11.156 653 HA THR 599 HA THR 599 5.131 6.750 13.213 654 HB THR 599 HB THR 599 7.506 8.413 13.738 655 HG1 THR 599 HG1 THR 599 8.880 6.564 13.790 656 1HG2 THR 599 2HG2 THR 599 5.657 7.035 15.210 657 2HG2 THR 599 1HG2 THR 599 7.025 5.923 15.242 658 3HG2 THR 599 3HG2 THR 599 7.217 7.574 15.829 659 H VAL 600 H VAL 600 3.587 8.105 12.017 660 HA VAL 600 HA VAL 600 4.334 10.785 11.249 661 HB VAL 600 HB VAL 600 1.466 10.226 11.846 662 1HG1 VAL 600 3HG1 VAL 600 3.140 11.910 10.195 663 2HG1 VAL 600 2HG1 VAL 600 1.888 11.106 9.252 664 3HG1 VAL 600 1HG1 VAL 600 1.440 12.109 10.633 665 1HG2 VAL 600 3HG2 VAL 600 2.652 8.149 10.611 666 2HG2 VAL 600 2HG2 VAL 600 1.068 8.740 10.125 667 3HG2 VAL 600 1HG2 VAL 600 2.497 9.234 9.229 668 HA PRO 601 HA PRO 601 4.069 12.390 15.389 669 1HB PRO 601 2HB PRO 601 4.730 14.969 14.712 670 2HB PRO 601 1HB PRO 601 5.920 13.665 14.868 671 1HG PRO 601 2HG PRO 601 4.855 14.946 12.397 672 2HG PRO 601 1HG PRO 601 6.404 14.126 12.658 673 1HD PRO 601 2HD PRO 601 4.131 13.029 11.361 674 2HD PRO 601 1HD PRO 601 5.573 12.136 11.889 675 H GLN 602 H GLN 602 3.153 14.857 16.069 676 HA GLN 602 HA GLN 602 0.334 14.678 15.864 677 1HB GLN 602 2HB GLN 602 0.274 16.908 16.821 678 2HB GLN 602 1HB GLN 602 1.600 16.020 17.573 679 1HG GLN 602 2HG GLN 602 3.197 17.074 16.019 680 2HG GLN 602 1HG GLN 602 1.875 17.959 15.256 681 1HE2 GLN 602 2HE2 GLN 602 2.681 18.982 19.165 682 2HE2 GLN 602 1HE2 GLN 602 2.724 17.346 18.716 683 H ALA 603 H ALA 603 2.644 15.825 13.594 684 HA ALA 603 HA ALA 603 2.334 16.610 11.400 685 1HB ALA 603 3HB ALA 603 -0.106 15.301 12.052 686 2HB ALA 603 2HB ALA 603 -0.527 16.825 11.271 687 3HB ALA 603 1HB ALA 603 0.524 15.674 10.447 688 H CYS 604 H CYS 604 3.079 18.711 11.717 689 HA CYS 604 HA CYS 604 0.961 20.769 12.068 690 1HB CYS 604 2HB CYS 604 2.309 20.244 14.242 691 2HB CYS 604 1HB CYS 604 3.623 21.104 13.438 692 H GLY 605 H GLY 605 1.249 21.065 9.760 693 1HA GLY 605 2HA GLY 605 2.352 23.054 8.564 694 2HA GLY 605 1HA GLY 605 3.875 22.281 9.007 695 H THR 606 H THR 606 3.732 19.747 8.389 696 HA THR 606 HA THR 606 2.985 19.717 5.499 697 HB THR 606 HB THR 606 4.530 17.508 5.809 698 HG1 THR 606 HG1 THR 606 5.332 17.634 7.747 699 1HG2 THR 606 2HG2 THR 606 5.214 20.384 5.255 700 2HG2 THR 606 1HG2 THR 606 6.475 19.150 5.231 701 3HG2 THR 606 3HG2 THR 606 5.105 19.033 4.126 702 H SER 607 H SER 607 3.510 16.996 7.717 703 HA SER 607 HA SER 607 2.054 15.285 8.406 704 1HB SER 607 2HB SER 607 -0.310 16.685 7.220 705 2HB SER 607 1HB SER 607 -0.190 15.770 8.719 706 HG SER 607 HG SER 607 0.119 18.411 8.292 707 H THR 608 H THR 608 3.247 15.541 5.668 708 HA THR 608 HA THR 608 1.803 13.294 4.452 709 HB THR 608 HB THR 608 0.957 14.333 2.553 710 HG1 THR 608 HG1 THR 608 2.611 16.582 2.907 711 1HG2 THR 608 3HG2 THR 608 0.978 16.536 4.626 712 2HG2 THR 608 2HG2 THR 608 0.043 16.609 3.135 713 3HG2 THR 608 1HG2 THR 608 -0.303 15.361 4.329 714 H ALA 609 H ALA 609 3.401 12.000 3.708 715 HA ALA 609 HA ALA 609 5.792 13.338 2.492 716 1HB ALA 609 3HB ALA 609 6.105 12.577 4.972 717 2HB ALA 609 2HB ALA 609 6.202 10.959 4.277 718 3HB ALA 609 1HB ALA 609 7.359 12.198 3.791 719 H THR 610 H THR 610 7.303 11.090 1.938 720 HA THR 610 HA THR 610 5.545 9.703 -0.039 721 HB THR 610 HB THR 610 7.675 9.135 -1.183 722 HG1 THR 610 HG1 THR 610 9.110 9.098 0.478 723 1HG2 THR 610 3HG2 THR 610 6.363 11.471 -1.275 724 2HG2 THR 610 2HG2 THR 610 7.913 12.061 -0.674 725 3HG2 THR 610 1HG2 THR 610 7.835 11.188 -2.205 726 H VAL 611 H VAL 611 6.358 7.467 -0.575 727 HA VAL 611 HA VAL 611 7.360 5.879 1.684 728 HB VAL 611 HB VAL 611 4.685 5.083 0.683 729 1HG1 VAL 611 1HG1 VAL 611 6.363 4.624 2.999 730 2HG1 VAL 611 3HG1 VAL 611 4.747 5.157 3.499 731 3HG1 VAL 611 2HG1 VAL 611 4.944 3.711 2.480 732 1HG2 VAL 611 2HG2 VAL 611 4.457 7.540 1.086 733 2HG2 VAL 611 1HG2 VAL 611 3.408 6.533 2.103 734 3HG2 VAL 611 3HG2 VAL 611 4.901 7.220 2.771 735 H THR 612 H THR 612 8.871 5.552 -0.240 736 HA THR 612 HA THR 612 7.816 4.348 -2.656 737 HB THR 612 HB THR 612 10.460 3.834 -2.806 738 HG1 THR 612 HG1 THR 612 11.171 6.028 -1.857 739 1HG2 THR 612 2HG2 THR 612 8.883 6.326 -3.373 740 2HG2 THR 612 1HG2 THR 612 10.551 6.111 -3.909 741 3HG2 THR 612 3HG2 THR 612 9.296 5.004 -4.469 742 H ASP 613 H ASP 613 7.942 2.349 -3.443 743 HA ASP 613 HA ASP 613 9.415 0.256 -2.157 744 1HB ASP 613 2HB ASP 613 6.494 0.537 -1.625 745 2HB ASP 613 1HB ASP 613 7.100 -1.092 -1.928 746 H THR 614 H THR 614 9.103 -1.867 -3.388 747 HA THR 614 HA THR 614 7.576 -1.775 -5.856 748 HB THR 614 HB THR 614 9.116 -0.662 -7.055 749 HG1 THR 614 HG1 THR 614 9.493 -2.539 -8.035 750 1HG2 THR 614 1HG2 THR 614 10.914 -1.325 -4.759 751 2HG2 THR 614 3HG2 THR 614 11.652 -0.825 -6.282 752 3HG2 THR 614 2HG2 THR 614 10.517 0.245 -5.458 753 H TRP 615 H TRP 615 7.311 -3.735 -6.758 754 HA TRP 615 HA TRP 615 7.857 -5.992 -5.080 755 1HB TRP 615 2HB TRP 615 6.265 -5.402 -7.446 756 2HB TRP 615 1HB TRP 615 6.965 -7.026 -7.485 757 HD1 TRP 615 HD1 TRP 615 4.694 -8.217 -6.832 758 HE1 TRP 615 HE1 TRP 615 3.466 -8.458 -4.560 759 HE3 TRP 615 HE3 TRP 615 6.940 -4.508 -4.289 760 HZ2 TRP 615 HZ2 TRP 615 3.450 -7.172 -2.037 761 HZ3 TRP 615 HZ3 TRP 615 6.345 -4.011 -1.968 762 HH2 TRP 615 HH2 TRP 615 4.627 -5.335 -0.829 763 H ARG 616 H ARG 616 9.072 -7.805 -5.441 764 HA ARG 616 HA ARG 616 11.440 -7.343 -7.197 765 1HB ARG 616 2HB ARG 616 12.561 -9.012 -5.864 766 2HB ARG 616 1HB ARG 616 11.727 -7.927 -4.751 767 1HG ARG 616 2HG ARG 616 9.799 -9.550 -4.734 768 2HG ARG 616 1HG ARG 616 10.802 -10.663 -5.665 769 1HD ARG 616 2HD ARG 616 11.168 -11.347 -3.442 770 2HD ARG 616 1HD ARG 616 12.555 -10.311 -3.778 771 HE ARG 616 HE ARG 616 10.193 -9.515 -2.140 772 1HH1 ARG 616 1HH2 ARG 616 10.716 -7.006 -2.357 773 2HH1 ARG 616 2HH2 ARG 616 12.262 -6.631 -1.673 774 1HH2 ARG 616 1HH1 ARG 616 13.355 -9.922 -1.668 775 2HH2 ARG 616 2HH1 ARG 616 13.756 -8.281 -1.283 No H/Q in entry = 775 Start of MODEL 4 1 1H CYS 509 2H CYS 509 -20.162 -16.638 5.020 2 2H CYS 509 1H CYS 509 -21.041 -15.329 5.653 3 3H CYS 509 3H CYS 509 -21.860 -16.652 4.979 4 HA CYS 509 HA CYS 509 -21.476 -16.022 2.845 5 1HB CYS 509 2HB CYS 509 -22.512 -14.116 4.386 6 2HB CYS 509 1HB CYS 509 -21.024 -13.276 3.948 7 H THR 510 H THR 510 -19.021 -17.017 3.590 8 HA THR 510 HA THR 510 -16.793 -16.947 2.844 9 HB THR 510 HB THR 510 -16.936 -14.321 1.539 10 HG1 THR 510 HG1 THR 510 -18.584 -14.719 0.241 11 1HG2 THR 510 1HG2 THR 510 -15.456 -16.588 1.283 12 2HG2 THR 510 3HG2 THR 510 -16.640 -16.830 -0.001 13 3HG2 THR 510 2HG2 THR 510 -15.629 -15.385 0.005 14 H THR 511 H THR 511 -15.918 -16.614 4.915 15 HA THR 511 HA THR 511 -14.785 -15.449 6.605 16 HB THR 511 HB THR 511 -14.261 -12.944 5.375 17 HG1 THR 511 HG1 THR 511 -13.265 -14.148 3.431 18 1HG2 THR 511 2HG2 THR 511 -12.868 -14.783 6.731 19 2HG2 THR 511 1HG2 THR 511 -12.356 -15.222 5.101 20 3HG2 THR 511 3HG2 THR 511 -12.076 -13.588 5.704 21 HA PRO 512 HA PRO 512 -17.512 -12.592 8.517 22 1HB PRO 512 2HB PRO 512 -15.806 -10.866 9.808 23 2HB PRO 512 1HB PRO 512 -16.089 -12.536 10.330 24 1HG PRO 512 2HG PRO 512 -13.715 -11.380 8.946 25 2HG PRO 512 1HG PRO 512 -13.816 -12.794 10.009 26 1HD PRO 512 2HD PRO 512 -13.665 -12.848 7.180 27 2HD PRO 512 1HD PRO 512 -14.084 -14.217 8.232 28 H THR 513 H THR 513 -14.989 -10.156 8.070 29 HA THR 513 HA THR 513 -16.434 -8.880 5.843 30 HB THR 513 HB THR 513 -17.040 -6.893 6.974 31 HG1 THR 513 HG1 THR 513 -15.474 -7.856 9.134 32 1HG2 THR 513 3HG2 THR 513 -17.491 -9.181 8.911 33 2HG2 THR 513 2HG2 THR 513 -18.375 -7.655 8.916 34 3HG2 THR 513 1HG2 THR 513 -18.528 -8.758 7.549 35 H ALA 514 H ALA 514 -13.682 -9.954 6.674 36 HA ALA 514 HA ALA 514 -11.950 -7.600 6.651 37 1HB ALA 514 2HB ALA 514 -11.544 -10.064 7.587 38 2HB ALA 514 1HB ALA 514 -10.917 -10.313 5.957 39 3HB ALA 514 3HB ALA 514 -10.209 -9.076 6.995 40 H VAL 515 H VAL 515 -11.112 -6.610 4.834 41 HA VAL 515 HA VAL 515 -11.876 -7.796 2.225 42 HB VAL 515 HB VAL 515 -10.763 -5.061 2.743 43 1HG1 VAL 515 3HG1 VAL 515 -10.513 -6.246 0.452 44 2HG1 VAL 515 2HG1 VAL 515 -12.262 -6.108 0.338 45 3HG1 VAL 515 1HG1 VAL 515 -11.271 -4.651 0.463 46 1HG2 VAL 515 3HG2 VAL 515 -12.943 -5.469 3.864 47 2HG2 VAL 515 2HG2 VAL 515 -13.088 -4.324 2.531 48 3HG2 VAL 515 1HG2 VAL 515 -13.609 -5.997 2.322 49 H ALA 516 H ALA 516 -10.224 -9.365 1.929 50 HA ALA 516 HA ALA 516 -7.426 -8.552 2.173 51 1HB ALA 516 3HB ALA 516 -8.125 -10.934 2.516 52 2HB ALA 516 2HB ALA 516 -8.596 -11.005 0.818 53 3HB ALA 516 1HB ALA 516 -6.902 -10.763 1.253 54 H VAL 517 H VAL 517 -6.864 -6.953 0.686 55 HA VAL 517 HA VAL 517 -7.844 -7.406 -2.101 56 HB VAL 517 HB VAL 517 -6.527 -4.849 -1.616 57 1HG1 VAL 517 1HG1 VAL 517 -7.828 -5.410 -3.603 58 2HG1 VAL 517 3HG1 VAL 517 -9.268 -5.638 -2.607 59 3HG1 VAL 517 2HG1 VAL 517 -8.543 -4.027 -2.757 60 1HG2 VAL 517 2HG2 VAL 517 -7.681 -5.281 0.636 61 2HG2 VAL 517 1HG2 VAL 517 -8.074 -3.780 -0.218 62 3HG2 VAL 517 3HG2 VAL 517 -9.198 -5.144 -0.258 63 H THR 518 H THR 518 -6.280 -7.513 -3.735 64 HA THR 518 HA THR 518 -3.474 -7.762 -2.782 65 HB THR 518 HB THR 518 -3.062 -9.050 -4.787 66 HG1 THR 518 HG1 THR 518 -4.501 -9.127 -6.434 67 1HG2 THR 518 3HG2 THR 518 -4.868 -9.823 -2.831 68 2HG2 THR 518 2HG2 THR 518 -5.711 -10.204 -4.332 69 3HG2 THR 518 1HG2 THR 518 -4.118 -10.892 -4.017 70 H PHE 519 H PHE 519 -1.953 -6.280 -3.559 71 HA PHE 519 HA PHE 519 -2.926 -4.406 -5.661 72 1HB PHE 519 2HB PHE 519 -1.029 -3.260 -3.682 73 2HB PHE 519 1HB PHE 519 -2.346 -2.500 -4.520 74 HD1 PHE 519 HD2 PHE 519 -2.031 -5.319 -2.019 75 HD2 PHE 519 HD1 PHE 519 -3.990 -1.682 -3.165 76 HE1 PHE 519 HE2 PHE 519 -3.467 -5.456 -0.006 77 HE2 PHE 519 HE1 PHE 519 -5.421 -1.832 -1.157 78 HZ PHE 519 HZ PHE 519 -5.157 -3.707 0.398 79 H ASP 520 H ASP 520 -1.201 -3.379 -6.867 80 HA ASP 520 HA ASP 520 1.353 -4.909 -6.809 81 1HB ASP 520 2HB ASP 520 -0.481 -4.206 -9.072 82 2HB ASP 520 1HB ASP 520 1.252 -4.161 -9.379 83 H LEU 521 H LEU 521 3.219 -3.568 -7.484 84 HA LEU 521 HA LEU 521 2.814 -0.676 -7.787 85 1HB LEU 521 2HB LEU 521 2.480 -1.216 -5.337 86 2HB LEU 521 1HB LEU 521 4.151 -1.751 -5.298 87 HG LEU 521 HG LEU 521 4.357 0.406 -4.581 88 1HD1 LEU 521 1HD1 LEU 521 5.778 0.103 -6.591 89 2HD1 LEU 521 3HD1 LEU 521 4.494 0.806 -7.569 90 3HD1 LEU 521 2HD1 LEU 521 5.308 1.786 -6.354 91 1HD2 LEU 521 1HD2 LEU 521 1.783 0.701 -5.559 92 2HD2 LEU 521 3HD2 LEU 521 2.699 1.957 -4.719 93 3HD2 LEU 521 2HD2 LEU 521 2.702 1.882 -6.484 94 H THR 522 H THR 522 4.239 -0.645 -9.561 95 HA THR 522 HA THR 522 6.800 -2.078 -9.276 96 HB THR 522 HB THR 522 6.430 -0.139 -11.505 97 HG1 THR 522 HG1 THR 522 5.128 -1.920 -12.484 98 1HG2 THR 522 3HG2 THR 522 8.292 -1.958 -11.064 99 2HG2 THR 522 2HG2 THR 522 7.090 -3.051 -11.751 100 3HG2 THR 522 1HG2 THR 522 7.685 -1.687 -12.698 101 H ALA 523 H ALA 523 8.490 -1.269 -8.179 102 HA ALA 523 HA ALA 523 9.403 1.474 -8.641 103 1HB ALA 523 2HB ALA 523 7.558 1.312 -6.694 104 2HB ALA 523 1HB ALA 523 8.992 0.917 -5.754 105 3HB ALA 523 3HB ALA 523 8.902 2.462 -6.626 106 H THR 524 H THR 524 10.820 1.198 -5.947 107 HA THR 524 HA THR 524 12.853 -0.866 -6.754 108 HB THR 524 HB THR 524 13.574 1.462 -7.280 109 HG1 THR 524 HG1 THR 524 14.925 -0.322 -6.099 110 1HG2 THR 524 3HG2 THR 524 12.190 1.858 -4.890 111 2HG2 THR 524 2HG2 THR 524 13.874 2.271 -4.527 112 3HG2 THR 524 1HG2 THR 524 13.027 3.096 -5.840 113 H THR 525 H THR 525 13.967 -1.834 -4.979 114 HA THR 525 HA THR 525 12.561 -2.426 -2.636 115 HB THR 525 HB THR 525 14.585 -3.543 -3.834 116 HG1 THR 525 HG1 THR 525 13.636 -3.635 -1.287 117 1HG2 THR 525 1HG2 THR 525 16.114 -1.604 -3.253 118 2HG2 THR 525 3HG2 THR 525 16.066 -2.178 -1.589 119 3HG2 THR 525 2HG2 THR 525 16.718 -3.204 -2.849 120 H THR 526 H THR 526 14.539 -2.158 -0.533 121 HA THR 526 HA THR 526 13.755 0.374 0.480 122 HB THR 526 HB THR 526 14.773 -1.760 1.761 123 HG1 THR 526 HG1 THR 526 13.751 0.140 2.621 124 1HG2 THR 526 1HG2 THR 526 17.083 -0.824 0.682 125 2HG2 THR 526 3HG2 THR 526 17.045 0.076 2.201 126 3HG2 THR 526 2HG2 THR 526 17.007 -1.688 2.218 127 H TYR 527 H TYR 527 15.879 -0.346 -1.883 128 HA TYR 527 HA TYR 527 18.165 1.080 -1.879 129 1HB TYR 527 2HB TYR 527 16.361 0.145 -3.779 130 2HB TYR 527 1HB TYR 527 16.389 1.874 -4.092 131 HD1 TYR 527 HD2 TYR 527 18.984 2.878 -3.972 132 HD2 TYR 527 HD1 TYR 527 17.769 -1.116 -4.932 133 HE1 TYR 527 HE2 TYR 527 21.132 2.503 -5.172 134 HE2 TYR 527 HE1 TYR 527 19.880 -1.516 -6.111 135 HH TYR 527 HH TYR 527 22.337 1.084 -6.386 136 H GLY 528 H GLY 528 14.865 2.329 -1.790 137 1HA GLY 528 2HA GLY 528 15.509 4.715 -0.430 138 2HA GLY 528 1HA GLY 528 15.424 5.101 -2.146 139 H GLU 529 H GLU 529 13.286 2.578 -0.743 140 HA GLU 529 HA GLU 529 11.081 4.247 -0.087 141 1HB GLU 529 2HB GLU 529 9.806 3.855 -2.338 142 2HB GLU 529 1HB GLU 529 10.956 5.184 -2.215 143 1HG GLU 529 2HG GLU 529 12.644 3.954 -3.363 144 2HG GLU 529 1HG GLU 529 11.740 2.447 -3.211 145 H ASN 530 H ASN 530 9.256 3.098 0.573 146 HA ASN 530 HA ASN 530 9.042 0.207 -0.155 147 1HB ASN 530 2HB ASN 530 9.693 0.426 2.231 148 2HB ASN 530 1HB ASN 530 8.322 1.499 2.461 149 1HD2 ASN 530 2HD2 ASN 530 5.937 -1.263 2.127 150 2HD2 ASN 530 1HD2 ASN 530 6.115 0.341 1.617 151 H ILE 531 H ILE 531 6.733 -0.539 -0.474 152 HA ILE 531 HA ILE 531 5.202 1.990 -0.771 153 HB ILE 531 HB ILE 531 4.118 0.064 -2.585 154 1HG1 ILE 531 2HG1 ILE 531 6.721 -0.509 -2.402 155 2HG1 ILE 531 1HG1 ILE 531 5.907 -0.441 -3.957 156 1HG2 ILE 531 3HG2 ILE 531 5.431 2.774 -2.712 157 2HG2 ILE 531 2HG2 ILE 531 4.762 2.007 -4.133 158 3HG2 ILE 531 1HG2 ILE 531 3.708 2.415 -2.789 159 1HD1 ILE 531 1HD1 ILE 531 7.400 1.893 -2.696 160 2HD1 ILE 531 3HD1 ILE 531 8.043 0.823 -3.980 161 3HD1 ILE 531 2HD1 ILE 531 6.632 1.858 -4.313 162 H TYR 532 H TYR 532 4.032 2.191 0.739 163 HA TYR 532 HA TYR 532 2.504 -0.051 1.849 164 1HB TYR 532 2HB TYR 532 3.469 2.583 2.625 165 2HB TYR 532 1HB TYR 532 1.888 2.143 3.271 166 HD1 TYR 532 HD2 TYR 532 5.459 1.218 3.008 167 HD2 TYR 532 HD1 TYR 532 1.570 0.363 4.744 168 HE1 TYR 532 HE2 TYR 532 6.555 -0.087 4.851 169 HE2 TYR 532 HE1 TYR 532 2.694 -0.941 6.583 170 HH TYR 532 HH TYR 532 4.648 -1.897 7.230 171 H LEU 533 H LEU 533 0.317 0.501 2.594 172 HA LEU 533 HA LEU 533 -1.023 2.307 0.748 173 1HB LEU 533 2HB LEU 533 -1.220 -0.423 0.514 174 2HB LEU 533 1HB LEU 533 -2.645 -0.020 1.466 175 HG LEU 533 HG LEU 533 -3.372 0.138 -0.777 176 1HD1 LEU 533 3HD1 LEU 533 -3.815 2.163 0.719 177 2HD1 LEU 533 2HD1 LEU 533 -2.519 2.973 -0.166 178 3HD1 LEU 533 1HD1 LEU 533 -3.966 2.436 -1.019 179 1HD2 LEU 533 3HD2 LEU 533 -0.597 1.054 -1.199 180 2HD2 LEU 533 2HD2 LEU 533 -1.653 0.132 -2.272 181 3HD2 LEU 533 1HD2 LEU 533 -1.798 1.889 -2.185 182 H VAL 534 H VAL 534 -0.931 3.750 2.593 183 HA VAL 534 HA VAL 534 -2.519 3.005 4.935 184 HB VAL 534 HB VAL 534 -0.421 4.641 4.736 185 1HG1 VAL 534 2HG1 VAL 534 -2.726 6.510 4.367 186 2HG1 VAL 534 1HG1 VAL 534 -1.199 6.969 5.113 187 3HG1 VAL 534 3HG1 VAL 534 -1.232 6.434 3.418 188 1HG2 VAL 534 2HG2 VAL 534 -2.561 4.497 6.649 189 2HG2 VAL 534 1HG2 VAL 534 -0.842 4.666 6.904 190 3HG2 VAL 534 3HG2 VAL 534 -1.811 6.118 6.605 191 H GLY 535 H GLY 535 -4.546 2.619 4.282 192 1HA GLY 535 2HA GLY 535 -6.079 4.615 2.651 193 2HA GLY 535 1HA GLY 535 -6.557 2.928 2.855 194 H SER 536 H SER 536 -8.213 5.308 3.609 195 HA SER 536 HA SER 536 -7.972 5.914 6.456 196 1HB SER 536 2HB SER 536 -9.061 7.454 4.906 197 2HB SER 536 1HB SER 536 -10.388 6.327 4.678 198 HG SER 536 HG SER 536 -11.186 7.082 6.446 199 H ILE 537 H ILE 537 -7.924 3.722 7.296 200 HA ILE 537 HA ILE 537 -10.411 3.187 8.435 201 HB ILE 537 HB ILE 537 -9.466 1.396 6.340 202 1HG1 ILE 537 2HG1 ILE 537 -11.791 2.773 7.192 203 2HG1 ILE 537 1HG1 ILE 537 -11.606 1.792 5.751 204 1HG2 ILE 537 1HG2 ILE 537 -9.021 0.121 8.531 205 2HG2 ILE 537 3HG2 ILE 537 -10.763 0.139 8.772 206 3HG2 ILE 537 2HG2 ILE 537 -10.076 -0.668 7.367 207 1HD1 ILE 537 1HD1 ILE 537 -12.125 -0.216 7.273 208 2HD1 ILE 537 3HD1 ILE 537 -12.649 0.969 8.466 209 3HD1 ILE 537 2HD1 ILE 537 -13.467 0.864 6.906 210 H SER 538 H SER 538 -10.234 1.356 10.104 211 HA SER 538 HA SER 538 -8.075 2.249 11.802 212 1HB SER 538 2HB SER 538 -10.448 0.971 12.282 213 2HB SER 538 1HB SER 538 -9.306 -0.346 12.528 214 HG SER 538 HG SER 538 -8.686 2.139 13.630 215 H GLN 539 H GLN 539 -8.581 -1.054 10.530 216 HA GLN 539 HA GLN 539 -5.965 -1.973 11.207 217 1HB GLN 539 2HB GLN 539 -8.114 -3.274 10.308 218 2HB GLN 539 1HB GLN 539 -7.350 -2.988 8.744 219 1HG GLN 539 2HG GLN 539 -5.708 -4.077 11.011 220 2HG GLN 539 1HG GLN 539 -6.754 -5.163 10.095 221 1HE2 GLN 539 2HE2 GLN 539 -4.908 -4.527 6.989 222 2HE2 GLN 539 1HE2 GLN 539 -6.519 -4.600 7.520 223 H LEU 540 H LEU 540 -7.214 0.167 8.897 224 HA LEU 540 HA LEU 540 -4.635 0.337 7.511 225 1HB LEU 540 2HB LEU 540 -6.896 -0.467 6.304 226 2HB LEU 540 1HB LEU 540 -7.071 1.280 6.152 227 HG LEU 540 HG LEU 540 -4.561 1.139 5.348 228 1HD1 LEU 540 1HD1 LEU 540 -4.503 -1.343 5.867 229 2HD1 LEU 540 3HD1 LEU 540 -5.602 -1.569 4.506 230 3HD1 LEU 540 2HD1 LEU 540 -3.988 -0.904 4.236 231 1HD2 LEU 540 1HD2 LEU 540 -6.824 1.685 4.107 232 2HD2 LEU 540 3HD2 LEU 540 -5.377 1.334 3.154 233 3HD2 LEU 540 2HD2 LEU 540 -6.594 0.083 3.401 234 H GLY 541 H GLY 541 -4.758 1.707 9.739 235 1HA GLY 541 2HA GLY 541 -6.087 3.897 10.393 236 2HA GLY 541 1HA GLY 541 -4.334 4.009 10.320 237 H ASP 542 H ASP 542 -3.839 3.981 7.742 238 HA ASP 542 HA ASP 542 -3.901 5.212 5.670 239 1HB ASP 542 2HB ASP 542 -6.467 5.439 6.150 240 2HB ASP 542 1HB ASP 542 -6.017 7.021 6.641 241 H TRP 543 H TRP 543 -4.369 6.786 8.646 242 HA TRP 543 HA TRP 543 -2.782 9.026 7.670 243 1HB TRP 543 2HB TRP 543 -4.986 9.161 9.697 244 2HB TRP 543 1HB TRP 543 -4.283 10.456 8.734 245 HD1 TRP 543 HD1 TRP 543 -7.345 8.448 8.712 246 HE1 TRP 543 HE1 TRP 543 -8.434 8.319 6.438 247 HE3 TRP 543 HE3 TRP 543 -3.453 9.944 5.786 248 HZ2 TRP 543 HZ2 TRP 543 -7.772 8.723 3.708 249 HZ3 TRP 543 HZ3 TRP 543 -3.730 10.091 3.332 250 HH2 TRP 543 HH2 TRP 543 -5.894 9.475 2.286 251 H GLU 544 H GLU 544 -1.952 6.681 8.828 252 HA GLU 544 HA GLU 544 -0.076 7.533 10.778 253 1HB GLU 544 2HB GLU 544 -2.112 7.239 12.288 254 2HB GLU 544 1HB GLU 544 -2.157 5.559 11.758 255 1HG GLU 544 2HG GLU 544 -0.115 5.035 12.776 256 2HG GLU 544 1HG GLU 544 0.370 6.729 12.885 257 H THR 545 H THR 545 1.207 6.594 9.154 258 HA THR 545 HA THR 545 0.698 4.277 7.749 259 HB THR 545 HB THR 545 3.123 4.046 7.426 260 HG1 THR 545 HG1 THR 545 4.382 4.320 9.049 261 1HG2 THR 545 3HG2 THR 545 1.826 6.328 6.873 262 2HG2 THR 545 2HG2 THR 545 3.062 6.972 7.948 263 3HG2 THR 545 1HG2 THR 545 3.527 6.108 6.482 264 H SER 546 H SER 546 1.299 4.555 11.159 265 HA SER 546 HA SER 546 2.605 2.248 11.930 266 1HB SER 546 2HB SER 546 0.048 3.219 13.222 267 2HB SER 546 1HB SER 546 1.361 2.335 13.993 268 HG SER 546 HG SER 546 2.712 4.151 13.447 269 H ASP 547 H ASP 547 -0.464 2.400 10.300 270 HA ASP 547 HA ASP 547 -0.525 -0.547 10.299 271 1HB ASP 547 2HB ASP 547 -2.645 1.214 11.510 272 2HB ASP 547 1HB ASP 547 -3.050 -0.375 10.857 273 H GLY 548 H GLY 548 0.043 1.001 8.031 274 1HA GLY 548 2HA GLY 548 -2.506 1.303 6.567 275 2HA GLY 548 1HA GLY 548 -0.901 1.745 5.963 276 H ILE 549 H ILE 549 -0.364 0.433 4.306 277 HA ILE 549 HA ILE 549 -0.459 -2.447 4.777 278 HB ILE 549 HB ILE 549 -2.299 -1.081 2.917 279 1HG1 ILE 549 2HG1 ILE 549 -2.288 -3.817 4.206 280 2HG1 ILE 549 1HG1 ILE 549 -3.036 -2.373 4.883 281 1HG2 ILE 549 2HG2 ILE 549 -0.798 -3.567 2.084 282 2HG2 ILE 549 1HG2 ILE 549 -2.407 -3.171 1.458 283 3HG2 ILE 549 3HG2 ILE 549 -1.045 -2.092 1.156 284 1HD1 ILE 549 1HD1 ILE 549 -4.427 -2.203 2.783 285 2HD1 ILE 549 3HD1 ILE 549 -3.772 -3.761 2.292 286 3HD1 ILE 549 2HD1 ILE 549 -4.763 -3.643 3.745 287 H ALA 550 H ALA 550 1.733 -2.381 4.789 288 HA ALA 550 HA ALA 550 3.462 -1.235 2.869 289 1HB ALA 550 2HB ALA 550 3.761 -2.620 5.205 290 2HB ALA 550 1HB ALA 550 4.407 -3.750 4.017 291 3HB ALA 550 3HB ALA 550 5.077 -2.123 4.137 292 H LEU 551 H LEU 551 4.571 -2.041 1.142 293 HA LEU 551 HA LEU 551 3.640 -4.656 -0.043 294 1HB LEU 551 2HB LEU 551 4.410 -2.077 -1.468 295 2HB LEU 551 1HB LEU 551 4.276 -3.623 -2.270 296 HG LEU 551 HG LEU 551 2.025 -3.622 -2.232 297 1HD1 LEU 551 1HD1 LEU 551 2.101 -2.046 0.344 298 2HD1 LEU 551 3HD1 LEU 551 0.618 -2.485 -0.491 299 3HD1 LEU 551 2HD1 LEU 551 1.669 -3.738 0.150 300 1HD2 LEU 551 2HD2 LEU 551 2.997 -1.316 -3.062 301 2HD2 LEU 551 1HD2 LEU 551 1.257 -1.589 -2.987 302 3HD2 LEU 551 3HD2 LEU 551 2.063 -0.690 -1.702 303 H SER 552 H SER 552 5.398 -5.840 -1.163 304 HA SER 552 HA SER 552 8.118 -4.733 -0.658 305 1HB SER 552 2HB SER 552 7.178 -6.773 0.912 306 2HB SER 552 1HB SER 552 7.983 -7.640 -0.397 307 HG SER 552 HG SER 552 9.054 -5.787 1.413 308 H ALA 553 H ALA 553 7.898 -7.982 -1.948 309 HA ALA 553 HA ALA 553 7.661 -7.068 -4.626 310 1HB ALA 553 3HB ALA 553 10.544 -7.664 -3.792 311 2HB ALA 553 2HB ALA 553 10.009 -7.550 -5.444 312 3HB ALA 553 1HB ALA 553 9.930 -6.146 -4.418 313 H ASP 554 H ASP 554 6.842 -8.637 -5.665 314 HA ASP 554 HA ASP 554 6.304 -11.270 -4.970 315 1HB ASP 554 2HB ASP 554 6.230 -11.868 -7.328 316 2HB ASP 554 1HB ASP 554 5.557 -10.254 -7.110 317 H LYS 555 H LYS 555 7.930 -12.005 -3.632 318 HA LYS 555 HA LYS 555 9.791 -13.324 -3.208 319 1HB LYS 555 2HB LYS 555 10.174 -13.555 -6.199 320 2HB LYS 555 1HB LYS 555 10.515 -14.755 -4.949 321 1HG LYS 555 2HG LYS 555 7.776 -13.790 -5.855 322 2HG LYS 555 1HG LYS 555 8.447 -15.415 -6.046 323 1HD LYS 555 2HD LYS 555 7.540 -15.945 -4.056 324 2HD LYS 555 1HD LYS 555 8.633 -14.787 -3.296 325 1HE LYS 555 2HE LYS 555 6.839 -13.537 -2.750 326 2HE LYS 555 1HE LYS 555 6.573 -13.237 -4.470 327 1HZ LYS 555 2HZ LYS 555 5.632 -15.736 -3.210 328 2HZ LYS 555 1HZ LYS 555 4.707 -14.315 -3.103 329 3HZ LYS 555 3HZ LYS 555 5.074 -14.973 -4.622 330 H TYR 556 H TYR 556 11.049 -11.947 -6.276 331 HA TYR 556 HA TYR 556 12.932 -10.600 -6.572 332 1HB TYR 556 2HB TYR 556 10.845 -9.200 -5.023 333 2HB TYR 556 1HB TYR 556 12.414 -8.415 -5.010 334 HD1 TYR 556 HD1 TYR 556 11.625 -10.523 -7.832 335 HD2 TYR 556 HD2 TYR 556 11.327 -6.428 -6.416 336 HE1 TYR 556 HE1 TYR 556 11.292 -9.726 -10.153 337 HE2 TYR 556 HE2 TYR 556 11.066 -5.672 -8.731 338 HH TYR 556 HH TYR 556 11.384 -7.839 -11.483 339 H THR 557 H THR 557 13.442 -8.806 -3.774 340 HA THR 557 HA THR 557 14.918 -11.002 -2.429 341 HB THR 557 HB THR 557 16.516 -8.605 -3.256 342 HG1 THR 557 HG1 THR 557 17.010 -9.603 -5.088 343 1HG2 THR 557 3HG2 THR 557 17.009 -10.629 -1.478 344 2HG2 THR 557 2HG2 THR 557 17.703 -11.284 -2.962 345 3HG2 THR 557 1HG2 THR 557 18.261 -9.732 -2.338 346 H SER 558 H SER 558 16.620 -8.499 -1.402 347 HA SER 558 HA SER 558 15.960 -8.525 1.207 348 1HB SER 558 2HB SER 558 17.048 -6.292 -0.479 349 2HB SER 558 1HB SER 558 16.849 -6.110 1.262 350 HG SER 558 HG SER 558 18.501 -7.856 -0.198 351 H SER 559 H SER 559 15.294 -5.302 0.140 352 HA SER 559 HA SER 559 12.864 -5.374 1.748 353 1HB SER 559 2HB SER 559 13.502 -3.271 2.084 354 2HB SER 559 1HB SER 559 14.620 -3.331 0.731 355 HG SER 559 HG SER 559 12.620 -1.858 0.738 356 H ASP 560 H ASP 560 13.500 -6.191 -1.398 357 HA ASP 560 HA ASP 560 12.008 -6.908 -3.013 358 1HB ASP 560 2HB ASP 560 9.839 -6.007 -1.167 359 2HB ASP 560 1HB ASP 560 9.822 -7.318 -2.300 360 HA PRO 561 HA PRO 561 11.815 -2.723 -4.917 361 1HB PRO 561 2HB PRO 561 12.746 -3.601 -7.332 362 2HB PRO 561 1HB PRO 561 13.760 -3.132 -5.981 363 1HG PRO 561 2HG PRO 561 13.191 -5.804 -7.010 364 2HG PRO 561 1HG PRO 561 14.546 -5.213 -6.056 365 1HD PRO 561 2HD PRO 561 12.337 -6.735 -5.061 366 2HD PRO 561 1HD PRO 561 13.565 -5.963 -4.087 367 H LEU 562 H LEU 562 10.061 -5.530 -6.322 368 HA LEU 562 HA LEU 562 8.809 -3.544 -8.145 369 1HB LEU 562 2HB LEU 562 7.679 -5.364 -9.326 370 2HB LEU 562 1HB LEU 562 9.410 -5.562 -9.363 371 HG LEU 562 HG LEU 562 9.255 -7.612 -8.378 372 1HD1 LEU 562 1HD1 LEU 562 8.617 -6.211 -6.191 373 2HD1 LEU 562 3HD1 LEU 562 7.045 -6.940 -6.497 374 3HD1 LEU 562 2HD1 LEU 562 8.463 -7.953 -6.276 375 1HD2 LEU 562 3HD2 LEU 562 6.600 -6.894 -9.366 376 2HD2 LEU 562 2HD2 LEU 562 7.516 -8.385 -9.581 377 3HD2 LEU 562 1HD2 LEU 562 6.549 -8.146 -8.122 378 H TRP 563 H TRP 563 8.520 -4.298 -5.136 379 HA TRP 563 HA TRP 563 6.697 -4.531 -3.628 380 1HB TRP 563 2HB TRP 563 5.933 -2.111 -5.167 381 2HB TRP 563 1HB TRP 563 5.737 -2.418 -3.439 382 HD1 TRP 563 HD1 TRP 563 8.469 -1.972 -6.074 383 HE1 TRP 563 HE1 TRP 563 10.617 -1.182 -4.898 384 HE3 TRP 563 HE3 TRP 563 6.997 -2.524 -1.335 385 HZ2 TRP 563 HZ2 TRP 563 11.594 -1.000 -2.137 386 HZ3 TRP 563 HZ3 TRP 563 8.521 -2.166 0.574 387 HH2 TRP 563 HH2 TRP 563 10.839 -1.390 0.169 388 H TYR 564 H TYR 564 5.544 -6.140 -3.698 389 HA TYR 564 HA TYR 564 3.020 -6.035 -5.334 390 1HB TYR 564 2HB TYR 564 2.834 -8.486 -4.974 391 2HB TYR 564 1HB TYR 564 4.322 -8.071 -5.819 392 HD1 TYR 564 HD2 TYR 564 4.681 -6.979 -2.519 393 HD2 TYR 564 HD1 TYR 564 4.718 -10.543 -4.839 394 HE1 TYR 564 HE2 TYR 564 5.994 -8.020 -0.797 395 HE2 TYR 564 HE1 TYR 564 6.064 -11.671 -3.079 396 HH TYR 564 HH TYR 564 7.142 -9.860 -0.189 397 H VAL 565 H VAL 565 1.338 -7.653 -3.784 398 HA VAL 565 HA VAL 565 1.657 -7.337 -0.996 399 HB VAL 565 HB VAL 565 1.623 -5.030 -1.100 400 1HG1 VAL 565 2HG1 VAL 565 1.048 -4.887 -3.490 401 2HG1 VAL 565 1HG1 VAL 565 -0.633 -5.204 -3.095 402 3HG1 VAL 565 3HG1 VAL 565 0.137 -3.734 -2.518 403 1HG2 VAL 565 1HG2 VAL 565 -1.183 -6.018 -0.573 404 2HG2 VAL 565 3HG2 VAL 565 0.056 -5.555 0.590 405 3HG2 VAL 565 2HG2 VAL 565 -0.745 -4.324 -0.383 406 H THR 566 H THR 566 -0.062 -7.903 0.247 407 HA THR 566 HA THR 566 -2.693 -8.528 -0.860 408 HB THR 566 HB THR 566 -0.920 -10.814 0.072 409 HG1 THR 566 HG1 THR 566 -0.333 -10.277 -1.984 410 1HG2 THR 566 2HG2 THR 566 -3.741 -10.494 0.015 411 2HG2 THR 566 1HG2 THR 566 -3.322 -11.574 -1.316 412 3HG2 THR 566 3HG2 THR 566 -2.830 -11.972 0.330 413 H VAL 567 H VAL 567 -3.167 -7.050 0.894 414 HA VAL 567 HA VAL 567 -2.810 -8.258 3.614 415 HB VAL 567 HB VAL 567 -3.279 -5.334 3.079 416 1HG1 VAL 567 1HG1 VAL 567 -2.547 -7.061 5.365 417 2HG1 VAL 567 3HG1 VAL 567 -1.605 -5.577 5.229 418 3HG1 VAL 567 2HG1 VAL 567 -3.361 -5.495 5.354 419 1HG2 VAL 567 2HG2 VAL 567 -0.778 -6.944 2.747 420 2HG2 VAL 567 1HG2 VAL 567 -1.336 -5.542 1.833 421 3HG2 VAL 567 3HG2 VAL 567 -0.649 -5.328 3.443 422 H THR 568 H THR 568 -4.609 -7.127 5.148 423 HA THR 568 HA THR 568 -7.202 -7.544 3.730 424 HB THR 568 HB THR 568 -7.974 -7.922 6.213 425 HG1 THR 568 HG1 THR 568 -6.274 -8.753 7.462 426 1HG2 THR 568 1HG2 THR 568 -6.965 -9.607 4.129 427 2HG2 THR 568 3HG2 THR 568 -6.469 -10.279 5.682 428 3HG2 THR 568 2HG2 THR 568 -8.177 -9.986 5.353 429 H LEU 569 H LEU 569 -9.063 -6.387 4.821 430 HA LEU 569 HA LEU 569 -8.506 -3.884 6.226 431 1HB LEU 569 2HB LEU 569 -7.946 -3.179 3.960 432 2HB LEU 569 1HB LEU 569 -9.429 -3.898 3.328 433 HG LEU 569 HG LEU 569 -10.611 -2.319 5.029 434 1HD1 LEU 569 3HD1 LEU 569 -7.836 -1.134 4.830 435 2HD1 LEU 569 2HD1 LEU 569 -9.228 -0.115 5.202 436 3HD1 LEU 569 1HD1 LEU 569 -8.783 -1.446 6.281 437 1HD2 LEU 569 1HD2 LEU 569 -9.498 -1.885 2.329 438 2HD2 LEU 569 3HD2 LEU 569 -11.164 -1.730 2.893 439 3HD2 LEU 569 2HD2 LEU 569 -10.010 -0.414 3.154 440 HA PRO 570 HA PRO 570 -12.571 -5.941 6.899 441 1HB PRO 570 2HB PRO 570 -12.280 -6.135 9.615 442 2HB PRO 570 1HB PRO 570 -11.658 -7.336 8.471 443 1HG PRO 570 2HG PRO 570 -10.163 -5.298 10.043 444 2HG PRO 570 1HG PRO 570 -9.593 -6.833 9.370 445 1HD PRO 570 2HD PRO 570 -9.154 -4.229 8.274 446 2HD PRO 570 1HD PRO 570 -8.778 -5.788 7.505 447 H ALA 571 H ALA 571 -14.241 -4.495 6.791 448 HA ALA 571 HA ALA 571 -14.896 -2.914 9.126 449 1HB ALA 571 3HB ALA 571 -13.174 -1.522 7.784 450 2HB ALA 571 2HB ALA 571 -14.508 -1.243 6.663 451 3HB ALA 571 1HB ALA 571 -14.643 -0.730 8.343 452 H GLY 572 H GLY 572 -15.511 -3.589 5.706 453 1HA GLY 572 2HA GLY 572 -17.558 -4.072 4.643 454 2HA GLY 572 1HA GLY 572 -18.331 -4.043 6.230 455 H GLU 573 H GLU 573 -16.461 -1.484 4.606 456 HA GLU 573 HA GLU 573 -18.843 0.108 4.036 457 1HB GLU 573 2HB GLU 573 -18.294 0.280 6.584 458 2HB GLU 573 1HB GLU 573 -16.960 1.302 6.051 459 1HG GLU 573 2HG GLU 573 -18.527 2.959 6.181 460 2HG GLU 573 1HG GLU 573 -18.994 2.359 4.589 461 H SER 574 H SER 574 -16.856 2.488 4.576 462 HA SER 574 HA SER 574 -15.381 2.185 1.976 463 1HB SER 574 2HB SER 574 -15.999 4.822 3.300 464 2HB SER 574 1HB SER 574 -15.671 4.486 1.602 465 HG SER 574 HG SER 574 -18.017 4.390 3.002 466 H PHE 575 H PHE 575 -13.281 2.527 1.928 467 HA PHE 575 HA PHE 575 -11.871 3.395 4.444 468 1HB PHE 575 2HB PHE 575 -10.661 1.408 2.521 469 2HB PHE 575 1HB PHE 575 -10.318 1.650 4.226 470 HD1 PHE 575 HD1 PHE 575 -13.350 0.757 2.152 471 HD2 PHE 575 HD2 PHE 575 -10.974 -0.102 5.606 472 HE1 PHE 575 HE1 PHE 575 -14.852 -1.117 2.715 473 HE2 PHE 575 HE2 PHE 575 -12.480 -1.975 6.169 474 HZ PHE 575 HZ PHE 575 -14.424 -2.480 4.729 475 H GLU 576 H GLU 576 -10.256 4.992 3.853 476 HA GLU 576 HA GLU 576 -10.395 5.965 1.089 477 1HB GLU 576 2HB GLU 576 -8.569 6.898 3.318 478 2HB GLU 576 1HB GLU 576 -8.712 7.649 1.741 479 1HG GLU 576 2HG GLU 576 -11.235 7.219 3.269 480 2HG GLU 576 1HG GLU 576 -10.157 8.502 3.821 481 H TYR 577 H TYR 577 -8.169 6.301 -0.088 482 HA TYR 577 HA TYR 577 -6.452 3.972 0.535 483 1HB TYR 577 2HB TYR 577 -8.095 4.397 -1.902 484 2HB TYR 577 1HB TYR 577 -6.474 3.737 -2.138 485 HD1 TYR 577 HD2 TYR 577 -9.555 3.256 0.026 486 HD2 TYR 577 HD1 TYR 577 -6.089 1.469 -1.821 487 HE1 TYR 577 HE2 TYR 577 -10.264 1.029 0.807 488 HE2 TYR 577 HE1 TYR 577 -6.832 -0.754 -1.026 489 HH TYR 577 HH TYR 577 -8.221 -1.791 0.502 490 H LYS 578 H LYS 578 -4.666 5.081 1.067 491 HA LYS 578 HA LYS 578 -3.407 6.709 -1.080 492 1HB LYS 578 2HB LYS 578 -3.946 7.497 1.766 493 2HB LYS 578 1HB LYS 578 -2.481 8.086 0.978 494 1HG LYS 578 2HG LYS 578 -4.564 8.415 -0.903 495 2HG LYS 578 1HG LYS 578 -5.201 8.991 0.636 496 1HD LYS 578 2HD LYS 578 -2.440 9.846 0.167 497 2HD LYS 578 1HD LYS 578 -3.557 10.435 -1.064 498 1HE LYS 578 2HE LYS 578 -4.528 10.625 1.728 499 2HE LYS 578 1HE LYS 578 -3.173 11.678 1.323 500 1HZ LYS 578 3HZ LYS 578 -5.134 11.658 -0.739 501 2HZ LYS 578 2HZ LYS 578 -5.818 12.117 0.748 502 3HZ LYS 578 1HZ LYS 578 -4.490 12.972 0.120 503 H PHE 579 H PHE 579 -1.069 6.712 -0.932 504 HA PHE 579 HA PHE 579 0.008 4.392 0.658 505 1HB PHE 579 2HB PHE 579 0.504 3.639 -1.443 506 2HB PHE 579 1HB PHE 579 0.293 5.236 -2.168 507 HD1 PHE 579 HD2 PHE 579 2.012 6.987 -1.646 508 HD2 PHE 579 HD1 PHE 579 2.770 2.825 -1.065 509 HE1 PHE 579 HE2 PHE 579 4.433 7.443 -1.637 510 HE2 PHE 579 HE1 PHE 579 5.204 3.324 -1.023 511 HZ PHE 579 HZ PHE 579 6.016 5.593 -1.340 512 H ILE 580 H ILE 580 2.363 4.510 0.932 513 HA ILE 580 HA ILE 580 3.540 7.175 1.212 514 HB ILE 580 HB ILE 580 3.798 7.107 3.589 515 1HG1 ILE 580 2HG1 ILE 580 3.238 4.262 3.064 516 2HG1 ILE 580 1HG1 ILE 580 4.299 5.026 4.273 517 1HG2 ILE 580 3HG2 ILE 580 1.509 7.742 2.761 518 2HG2 ILE 580 2HG2 ILE 580 1.010 6.068 2.943 519 3HG2 ILE 580 1HG2 ILE 580 1.460 7.004 4.357 520 1HD1 ILE 580 3HD1 ILE 580 1.921 5.758 5.249 521 2HD1 ILE 580 2HD1 ILE 580 1.453 4.237 4.494 522 3HD1 ILE 580 1HD1 ILE 580 2.719 4.265 5.717 523 H ARG 581 H ARG 581 5.723 7.046 0.927 524 HA ARG 581 HA ARG 581 6.913 4.481 0.161 525 1HB ARG 581 2HB ARG 581 7.149 6.930 -0.827 526 2HB ARG 581 1HB ARG 581 8.473 7.017 0.334 527 1HG ARG 581 2HG ARG 581 9.765 5.793 -1.003 528 2HG ARG 581 1HG ARG 581 8.574 4.493 -1.016 529 1HD ARG 581 2HD ARG 581 8.072 4.984 -3.153 530 2HD ARG 581 1HD ARG 581 7.562 6.596 -2.651 531 HE ARG 581 HE ARG 581 9.929 6.041 -4.119 532 1HH1 ARG 581 2HH1 ARG 581 8.426 8.227 -2.001 533 2HH1 ARG 581 1HH1 ARG 581 9.816 9.242 -1.810 534 1HH2 ARG 581 1HH2 ARG 581 11.923 7.146 -3.595 535 2HH2 ARG 581 2HH2 ARG 581 11.796 8.630 -2.712 536 H ILE 582 H ILE 582 7.770 3.180 1.878 537 HA ILE 582 HA ILE 582 9.162 4.705 4.025 538 HB ILE 582 HB ILE 582 7.898 1.978 4.022 539 1HG1 ILE 582 2HG1 ILE 582 6.372 2.927 5.441 540 2HG1 ILE 582 1HG1 ILE 582 7.579 3.952 6.216 541 1HG2 ILE 582 3HG2 ILE 582 10.230 2.897 5.544 542 2HG2 ILE 582 2HG2 ILE 582 8.898 2.367 6.571 543 3HG2 ILE 582 1HG2 ILE 582 9.574 1.269 5.369 544 1HD1 ILE 582 1HD1 ILE 582 6.414 4.408 3.450 545 2HD1 ILE 582 3HD1 ILE 582 5.970 5.307 4.904 546 3HD1 ILE 582 2HD1 ILE 582 7.605 5.433 4.253 547 H GLU 583 H GLU 583 11.260 4.566 4.443 548 HA GLU 583 HA GLU 583 12.813 2.813 2.572 549 1HB GLU 583 2HB GLU 583 13.196 5.357 2.697 550 2HB GLU 583 1HB GLU 583 13.981 5.033 4.243 551 1HG GLU 583 2HG GLU 583 15.707 3.801 3.262 552 2HG GLU 583 1HG GLU 583 14.761 3.440 1.817 553 H SER 584 H SER 584 14.921 1.966 3.498 554 HA SER 584 HA SER 584 14.355 0.434 5.907 555 1HB SER 584 2HB SER 584 16.551 0.580 3.905 556 2HB SER 584 1HB SER 584 16.990 -0.003 5.507 557 HG SER 584 HG SER 584 16.245 -1.812 4.676 558 H ASP 585 H ASP 585 15.970 3.406 5.134 559 HA ASP 585 HA ASP 585 17.279 3.555 7.757 560 1HB ASP 585 2HB ASP 585 17.534 6.019 6.611 561 2HB ASP 585 1HB ASP 585 18.712 4.733 6.436 562 H ASP 586 H ASP 586 14.249 3.598 7.010 563 HA ASP 586 HA ASP 586 12.396 4.454 8.195 564 1HB ASP 586 2HB ASP 586 14.398 5.107 9.907 565 2HB ASP 586 1HB ASP 586 13.860 6.718 9.428 566 H SER 587 H SER 587 11.220 5.305 6.555 567 HA SER 587 HA SER 587 11.507 8.198 5.968 568 1HB SER 587 2HB SER 587 12.751 6.436 4.289 569 2HB SER 587 1HB SER 587 11.129 6.518 3.577 570 HG SER 587 HG SER 587 11.378 8.696 3.322 571 H VAL 588 H VAL 588 9.654 8.978 4.702 572 HA VAL 588 HA VAL 588 7.459 7.171 4.136 573 HB VAL 588 HB VAL 588 7.272 8.927 6.564 574 1HG1 VAL 588 1HG1 VAL 588 5.643 9.821 4.812 575 2HG1 VAL 588 3HG1 VAL 588 4.904 8.212 4.899 576 3HG1 VAL 588 2HG1 VAL 588 4.950 9.259 6.329 577 1HG2 VAL 588 3HG2 VAL 588 7.147 6.248 6.148 578 2HG2 VAL 588 2HG2 VAL 588 6.342 7.065 7.486 579 3HG2 VAL 588 1HG2 VAL 588 5.447 6.704 6.000 580 H GLU 589 H GLU 589 6.787 7.847 2.233 581 HA GLU 589 HA GLU 589 6.593 10.790 1.719 582 1HB GLU 589 2HB GLU 589 8.316 10.098 0.207 583 2HB GLU 589 1HB GLU 589 7.502 8.573 -0.131 584 1HG GLU 589 2HG GLU 589 6.215 9.469 -1.738 585 2HG GLU 589 1HG GLU 589 5.804 10.855 -0.717 586 H TRP 590 H TRP 590 4.340 10.601 2.442 587 HA TRP 590 HA TRP 590 2.574 8.629 1.491 588 1HB TRP 590 2HB TRP 590 2.071 11.436 2.442 589 2HB TRP 590 1HB TRP 590 0.760 10.332 2.005 590 HD1 TRP 590 HD1 TRP 590 3.995 9.218 3.664 591 HE1 TRP 590 HE1 TRP 590 3.466 8.203 5.980 592 HE3 TRP 590 HE3 TRP 590 -0.991 10.136 3.943 593 HZ2 TRP 590 HZ2 TRP 590 1.280 7.868 7.712 594 HZ3 TRP 590 HZ3 TRP 590 -2.222 9.369 5.932 595 HH2 TRP 590 HH2 TRP 590 -1.135 8.260 7.785 596 H GLU 591 H GLU 591 2.975 8.275 -0.752 597 HA GLU 591 HA GLU 591 2.774 10.368 -2.713 598 1HB GLU 591 2HB GLU 591 3.726 8.011 -3.184 599 2HB GLU 591 1HB GLU 591 2.044 7.488 -3.311 600 1HG GLU 591 2HG GLU 591 1.966 9.698 -4.866 601 2HG GLU 591 1HG GLU 591 3.635 9.194 -5.130 602 H SER 592 H SER 592 0.983 11.557 -2.260 603 HA SER 592 HA SER 592 -1.599 10.150 -1.957 604 1HB SER 592 2HB SER 592 -0.881 11.749 -0.205 605 2HB SER 592 1HB SER 592 -0.808 13.029 -1.419 606 HG SER 592 HG SER 592 -2.966 13.029 -1.581 607 H ASP 593 H ASP 593 -0.106 10.625 -4.532 608 HA ASP 593 HA ASP 593 -1.856 12.525 -5.954 609 1HB ASP 593 2HB ASP 593 0.693 11.174 -6.501 610 2HB ASP 593 1HB ASP 593 -0.397 11.186 -7.888 611 HA PRO 594 HA PRO 594 -3.401 8.501 -7.963 612 1HB PRO 594 2HB PRO 594 -2.147 6.135 -7.348 613 2HB PRO 594 1HB PRO 594 -1.651 7.173 -8.696 614 1HG PRO 594 2HG PRO 594 -0.354 6.809 -6.025 615 2HG PRO 594 1HG PRO 594 0.384 7.203 -7.587 616 1HD PRO 594 2HD PRO 594 -0.121 9.052 -5.543 617 2HD PRO 594 1HD PRO 594 0.168 9.450 -7.252 618 H ASN 595 H ASN 595 -4.881 9.179 -6.100 619 HA ASN 595 HA ASN 595 -4.908 7.181 -3.882 620 1HB ASN 595 2HB ASN 595 -6.411 8.834 -2.745 621 2HB ASN 595 1HB ASN 595 -4.810 9.482 -3.104 622 1HD2 ASN 595 2HD2 ASN 595 -8.084 11.114 -4.873 623 2HD2 ASN 595 1HD2 ASN 595 -8.225 9.794 -3.815 624 H ARG 596 H ARG 596 -7.178 6.582 -3.128 625 HA ARG 596 HA ARG 596 -9.320 6.758 -5.110 626 1HB ARG 596 2HB ARG 596 -7.519 4.449 -5.027 627 2HB ARG 596 1HB ARG 596 -9.213 4.002 -4.821 628 1HG ARG 596 2HG ARG 596 -8.165 5.775 -7.047 629 2HG ARG 596 1HG ARG 596 -8.515 4.055 -7.220 630 1HD ARG 596 2HD ARG 596 -10.719 5.566 -6.006 631 2HD ARG 596 1HD ARG 596 -10.331 6.094 -7.644 632 HE ARG 596 HE ARG 596 -10.934 3.237 -6.982 633 1HH1 ARG 596 2HH1 ARG 596 -10.182 3.024 -9.591 634 2HH1 ARG 596 1HH1 ARG 596 -11.500 3.586 -10.564 635 1HH2 ARG 596 1HH2 ARG 596 -13.048 5.274 -7.960 636 2HH2 ARG 596 2HH2 ARG 596 -13.123 4.860 -9.641 637 H GLU 597 H GLU 597 -10.979 4.785 -4.279 638 HA GLU 597 HA GLU 597 -11.064 4.780 -1.310 639 1HB GLU 597 2HB GLU 597 -13.548 5.477 -1.526 640 2HB GLU 597 1HB GLU 597 -12.335 6.750 -1.677 641 1HG GLU 597 2HG GLU 597 -12.768 7.082 -3.892 642 2HG GLU 597 1HG GLU 597 -13.034 5.366 -4.199 643 H TYR 598 H TYR 598 -11.019 2.548 -1.183 644 HA TYR 598 HA TYR 598 -12.548 0.878 -2.993 645 1HB TYR 598 2HB TYR 598 -10.288 0.418 -1.778 646 2HB TYR 598 1HB TYR 598 -11.298 0.045 -0.384 647 HD1 TYR 598 HD2 TYR 598 -13.462 -1.420 -1.124 648 HD2 TYR 598 HD1 TYR 598 -9.608 -1.409 -3.003 649 HE1 TYR 598 HE2 TYR 598 -13.888 -3.710 -1.977 650 HE2 TYR 598 HE1 TYR 598 -10.030 -3.688 -3.884 651 HH TYR 598 HH TYR 598 -12.523 -5.657 -2.724 652 H THR 599 H THR 599 -14.771 1.360 -2.634 653 HA THR 599 HA THR 599 -15.822 1.483 0.096 654 HB THR 599 HB THR 599 -18.054 1.210 -1.339 655 HG1 THR 599 HG1 THR 599 -17.692 1.164 -3.388 656 1HG2 THR 599 1HG2 THR 599 -16.526 3.359 -0.384 657 2HG2 THR 599 3HG2 THR 599 -16.935 3.792 -2.044 658 3HG2 THR 599 2HG2 THR 599 -18.214 3.410 -0.892 659 H VAL 600 H VAL 600 -15.124 -0.570 0.926 660 HA VAL 600 HA VAL 600 -15.964 -2.987 -0.503 661 HB VAL 600 HB VAL 600 -15.028 -3.228 2.306 662 1HG1 VAL 600 1HG1 VAL 600 -14.944 -4.634 -0.269 663 2HG1 VAL 600 3HG1 VAL 600 -13.479 -4.751 0.700 664 3HG1 VAL 600 2HG1 VAL 600 -15.023 -5.285 1.374 665 1HG2 VAL 600 3HG2 VAL 600 -13.591 -1.411 0.837 666 2HG2 VAL 600 2HG2 VAL 600 -12.895 -2.473 2.056 667 3HG2 VAL 600 1HG2 VAL 600 -12.829 -2.929 0.361 668 HA PRO 601 HA PRO 601 -19.853 -2.832 1.724 669 1HB PRO 601 2HB PRO 601 -21.039 -4.818 0.244 670 2HB PRO 601 1HB PRO 601 -20.912 -3.137 -0.303 671 1HG PRO 601 2HG PRO 601 -19.377 -5.525 -1.210 672 2HG PRO 601 1HG PRO 601 -19.739 -4.026 -2.082 673 1HD PRO 601 2HD PRO 601 -17.275 -4.681 -0.839 674 2HD PRO 601 1HD PRO 601 -17.751 -3.084 -1.452 675 H GLN 602 H GLN 602 -21.338 -5.032 2.303 676 HA GLN 602 HA GLN 602 -19.956 -6.327 4.406 677 1HB GLN 602 2HB GLN 602 -22.538 -6.677 3.013 678 2HB GLN 602 1HB GLN 602 -21.911 -8.138 3.775 679 1HG GLN 602 2HG GLN 602 -21.439 -6.387 5.766 680 2HG GLN 602 1HG GLN 602 -22.831 -5.598 5.022 681 1HE2 GLN 602 2HE2 GLN 602 -23.467 -9.462 6.301 682 2HE2 GLN 602 1HE2 GLN 602 -22.011 -9.083 5.515 683 H ALA 603 H ALA 603 -19.922 -8.937 4.367 684 HA ALA 603 HA ALA 603 -17.783 -9.678 2.631 685 1HB ALA 603 2HB ALA 603 -19.719 -11.279 4.309 686 2HB ALA 603 1HB ALA 603 -18.474 -12.060 3.335 687 3HB ALA 603 3HB ALA 603 -18.016 -10.947 4.623 688 H CYS 604 H CYS 604 -21.290 -10.237 2.413 689 HA CYS 604 HA CYS 604 -21.190 -11.878 0.064 690 1HB CYS 604 2HB CYS 604 -23.458 -10.004 0.755 691 2HB CYS 604 1HB CYS 604 -23.543 -11.562 -0.066 692 H GLY 605 H GLY 605 -19.860 -10.968 -1.531 693 1HA GLY 605 2HA GLY 605 -20.763 -9.432 -3.560 694 2HA GLY 605 1HA GLY 605 -20.331 -8.186 -2.389 695 H THR 606 H THR 606 -18.060 -8.183 -1.614 696 HA THR 606 HA THR 606 -16.127 -9.677 -3.278 697 HB THR 606 HB THR 606 -15.161 -7.016 -3.262 698 HG1 THR 606 HG1 THR 606 -17.042 -6.265 -4.658 699 1HG2 THR 606 1HG2 THR 606 -15.546 -9.183 -5.038 700 2HG2 THR 606 3HG2 THR 606 -16.288 -7.777 -5.801 701 3HG2 THR 606 2HG2 THR 606 -14.593 -7.726 -5.316 702 H SER 607 H SER 607 -15.696 -10.613 -1.147 703 HA SER 607 HA SER 607 -14.782 -8.926 1.035 704 1HB SER 607 2HB SER 607 -15.771 -11.291 1.211 705 2HB SER 607 1HB SER 607 -14.189 -11.871 0.699 706 HG SER 607 HG SER 607 -13.294 -10.792 2.487 707 H THR 608 H THR 608 -13.366 -9.883 -1.867 708 HA THR 608 HA THR 608 -10.741 -8.849 -1.035 709 HB THR 608 HB THR 608 -9.475 -10.852 -1.555 710 HG1 THR 608 HG1 THR 608 -10.292 -12.205 -2.898 711 1HG2 THR 608 3HG2 THR 608 -10.446 -10.799 0.723 712 2HG2 THR 608 2HG2 THR 608 -11.856 -11.673 0.129 713 3HG2 THR 608 1HG2 THR 608 -10.271 -12.447 0.126 714 H ALA 609 H ALA 609 -9.953 -7.742 -2.763 715 HA ALA 609 HA ALA 609 -10.706 -8.745 -5.488 716 1HB ALA 609 3HB ALA 609 -12.264 -6.870 -4.593 717 2HB ALA 609 2HB ALA 609 -10.896 -5.802 -4.914 718 3HB ALA 609 1HB ALA 609 -11.622 -6.726 -6.229 719 H THR 610 H THR 610 -9.647 -6.116 -6.593 720 HA THR 610 HA THR 610 -6.738 -6.630 -6.087 721 HB THR 610 HB THR 610 -6.277 -6.376 -8.408 722 HG1 THR 610 HG1 THR 610 -7.486 -5.175 -9.621 723 1HG2 THR 610 2HG2 THR 610 -8.830 -7.956 -8.022 724 2HG2 THR 610 1HG2 THR 610 -7.864 -8.011 -9.497 725 3HG2 THR 610 3HG2 THR 610 -7.176 -8.568 -7.972 726 H VAL 611 H VAL 611 -5.386 -4.792 -6.810 727 HA VAL 611 HA VAL 611 -6.580 -2.115 -6.701 728 HB VAL 611 HB VAL 611 -4.597 -2.667 -4.570 729 1HG1 VAL 611 2HG1 VAL 611 -6.581 -0.687 -5.186 730 2HG1 VAL 611 1HG1 VAL 611 -6.932 -1.382 -3.588 731 3HG1 VAL 611 3HG1 VAL 611 -5.357 -0.633 -3.916 732 1HG2 VAL 611 1HG2 VAL 611 -6.203 -4.593 -4.407 733 2HG2 VAL 611 3HG2 VAL 611 -6.100 -3.575 -2.957 734 3HG2 VAL 611 2HG2 VAL 611 -7.464 -3.390 -4.083 735 H THR 612 H THR 612 -5.267 -2.405 -8.830 736 HA THR 612 HA THR 612 -2.400 -2.795 -8.613 737 HB THR 612 HB THR 612 -2.698 -1.745 -11.082 738 HG1 THR 612 HG1 THR 612 -4.677 -2.301 -11.857 739 1HG2 THR 612 1HG2 THR 612 -3.151 -4.525 -10.039 740 2HG2 THR 612 3HG2 THR 612 -3.031 -4.156 -11.761 741 3HG2 THR 612 2HG2 THR 612 -1.672 -3.815 -10.688 742 H ASP 613 H ASP 613 -0.719 -1.420 -8.866 743 HA ASP 613 HA ASP 613 -1.116 1.342 -9.547 744 1HB ASP 613 2HB ASP 613 0.167 1.223 -6.885 745 2HB ASP 613 1HB ASP 613 -0.959 2.413 -7.534 746 H THR 614 H THR 614 1.084 2.593 -9.175 747 HA THR 614 HA THR 614 3.466 0.950 -9.039 748 HB THR 614 HB THR 614 3.526 0.317 -11.191 749 HG1 THR 614 HG1 THR 614 4.588 1.744 -12.423 750 1HG2 THR 614 1HG2 THR 614 1.353 2.364 -11.529 751 2HG2 THR 614 3HG2 THR 614 2.108 1.637 -12.949 752 3HG2 THR 614 2HG2 THR 614 1.286 0.618 -11.768 753 H TRP 615 H TRP 615 5.386 2.305 -9.884 754 HA TRP 615 HA TRP 615 4.998 4.958 -8.628 755 1HB TRP 615 2HB TRP 615 6.799 2.828 -8.056 756 2HB TRP 615 1HB TRP 615 7.756 4.199 -8.643 757 HD1 TRP 615 HD1 TRP 615 8.399 5.602 -6.688 758 HE1 TRP 615 HE1 TRP 615 7.200 6.674 -4.656 759 HE3 TRP 615 HE3 TRP 615 4.061 3.196 -7.050 760 HZ2 TRP 615 HZ2 TRP 615 4.719 6.445 -3.388 761 HZ3 TRP 615 HZ3 TRP 615 2.251 3.566 -5.427 762 HH2 TRP 615 HH2 TRP 615 2.557 5.140 -3.591 763 H ARG 616 H ARG 616 5.362 6.725 -9.789 764 HA ARG 616 HA ARG 616 6.600 6.395 -12.484 765 1HB ARG 616 2HB ARG 616 4.444 7.992 -11.409 766 2HB ARG 616 1HB ARG 616 5.655 9.037 -12.154 767 1HG ARG 616 2HG ARG 616 5.599 7.513 -14.171 768 2HG ARG 616 1HG ARG 616 4.216 6.701 -13.435 769 1HD ARG 616 2HD ARG 616 4.243 9.693 -13.818 770 2HD ARG 616 1HD ARG 616 3.726 8.611 -15.112 771 HE ARG 616 HE ARG 616 2.170 7.716 -13.102 772 1HH1 ARG 616 1HH2 ARG 616 3.121 10.655 -12.194 773 2HH1 ARG 616 2HH2 ARG 616 1.623 11.487 -12.450 774 1HH2 ARG 616 1HH1 ARG 616 0.184 8.891 -14.242 775 2HH2 ARG 616 2HH1 ARG 616 -0.040 10.488 -13.610 No H/Q in entry = 775 Start of MODEL 5 1 1H CYS 509 1H CYS 509 21.191 19.032 -3.672 2 2H CYS 509 3H CYS 509 20.070 18.496 -2.518 3 3H CYS 509 2H CYS 509 21.709 18.652 -2.099 4 HA CYS 509 HA CYS 509 22.334 16.857 -3.513 5 1HB CYS 509 2HB CYS 509 19.821 16.043 -2.030 6 2HB CYS 509 1HB CYS 509 21.233 15.044 -2.373 7 H THR 510 H THR 510 18.758 16.711 -3.474 8 HA THR 510 HA THR 510 18.382 17.058 -6.267 9 HB THR 510 HB THR 510 17.849 14.281 -6.198 10 HG1 THR 510 HG1 THR 510 19.315 14.110 -4.495 11 1HG2 THR 510 2HG2 THR 510 18.828 16.083 -7.956 12 2HG2 THR 510 1HG2 THR 510 20.323 15.259 -7.515 13 3HG2 THR 510 3HG2 THR 510 18.975 14.341 -8.188 14 H THR 511 H THR 511 17.062 17.707 -3.805 15 HA THR 511 HA THR 511 14.870 17.834 -2.979 16 HB THR 511 HB THR 511 13.752 16.197 -5.193 17 HG1 THR 511 HG1 THR 511 14.065 18.208 -6.503 18 1HG2 THR 511 3HG2 THR 511 13.119 18.658 -3.633 19 2HG2 THR 511 2HG2 THR 511 12.468 18.542 -5.268 20 3HG2 THR 511 1HG2 THR 511 12.075 17.306 -4.073 21 HA PRO 512 HA PRO 512 15.281 13.351 -1.750 22 1HB PRO 512 2HB PRO 512 16.438 13.804 0.702 23 2HB PRO 512 1HB PRO 512 17.368 13.539 -0.784 24 1HG PRO 512 2HG PRO 512 16.892 16.079 0.705 25 2HG PRO 512 1HG PRO 512 18.244 15.633 -0.349 26 1HD PRO 512 2HD PRO 512 16.066 17.298 -1.059 27 2HD PRO 512 1HD PRO 512 17.243 16.581 -2.179 28 H THR 513 H THR 513 13.919 16.252 -0.540 29 HA THR 513 HA THR 513 12.671 15.519 1.856 30 HB THR 513 HB THR 513 10.734 17.019 0.941 31 HG1 THR 513 HG1 THR 513 10.942 17.358 -1.109 32 1HG2 THR 513 1HG2 THR 513 13.595 17.974 1.218 33 2HG2 THR 513 3HG2 THR 513 12.193 19.043 1.212 34 3HG2 THR 513 2HG2 THR 513 12.389 17.855 2.500 35 H ALA 514 H ALA 514 11.361 15.063 -1.449 36 HA ALA 514 HA ALA 514 9.169 13.412 -0.447 37 1HB ALA 514 3HB ALA 514 10.020 14.538 -3.036 38 2HB ALA 514 2HB ALA 514 9.241 12.960 -3.149 39 3HB ALA 514 1HB ALA 514 8.396 14.308 -2.388 40 H VAL 515 H VAL 515 9.136 11.188 -0.325 41 HA VAL 515 HA VAL 515 11.547 9.762 -1.364 42 HB VAL 515 HB VAL 515 9.951 9.277 1.142 43 1HG1 VAL 515 1HG1 VAL 515 11.091 7.309 -0.561 44 2HG1 VAL 515 3HG1 VAL 515 12.197 7.496 0.796 45 3HG1 VAL 515 2HG1 VAL 515 10.505 7.092 1.087 46 1HG2 VAL 515 2HG2 VAL 515 12.175 10.822 0.617 47 2HG2 VAL 515 1HG2 VAL 515 11.756 10.160 2.196 48 3HG2 VAL 515 3HG2 VAL 515 12.889 9.302 1.153 49 H ALA 516 H ALA 516 10.803 8.882 -3.254 50 HA ALA 516 HA ALA 516 8.119 7.748 -3.455 51 1HB ALA 516 2HB ALA 516 9.472 8.773 -5.391 52 2HB ALA 516 1HB ALA 516 10.426 7.290 -5.356 53 3HB ALA 516 3HB ALA 516 8.701 7.219 -5.716 54 H VAL 517 H VAL 517 7.703 5.780 -2.493 55 HA VAL 517 HA VAL 517 10.044 3.930 -2.279 56 HB VAL 517 HB VAL 517 7.670 3.227 -0.722 57 1HG1 VAL 517 3HG1 VAL 517 9.887 2.193 -0.513 58 2HG1 VAL 517 2HG1 VAL 517 10.563 3.747 -0.017 59 3HG1 VAL 517 1HG1 VAL 517 9.368 2.928 1.011 60 1HG2 VAL 517 3HG2 VAL 517 7.603 5.767 -0.626 61 2HG2 VAL 517 2HG2 VAL 517 7.758 4.930 0.925 62 3HG2 VAL 517 1HG2 VAL 517 9.173 5.688 0.179 63 H THR 518 H THR 518 9.723 1.758 -2.952 64 HA THR 518 HA THR 518 7.351 1.387 -4.712 65 HB THR 518 HB THR 518 10.067 0.045 -4.617 66 HG1 THR 518 HG1 THR 518 8.684 1.404 -6.683 67 1HG2 THR 518 2HG2 THR 518 7.486 -0.864 -5.777 68 2HG2 THR 518 1HG2 THR 518 8.910 -1.020 -6.807 69 3HG2 THR 518 3HG2 THR 518 8.871 -1.809 -5.230 70 H PHE 519 H PHE 519 5.821 -0.069 -4.102 71 HA PHE 519 HA PHE 519 6.547 -1.969 -1.920 72 1HB PHE 519 2HB PHE 519 3.690 -1.167 -2.182 73 2HB PHE 519 1HB PHE 519 4.605 -1.599 -0.755 74 HD1 PHE 519 HD2 PHE 519 4.622 1.111 -3.376 75 HD2 PHE 519 HD1 PHE 519 5.044 0.046 0.753 76 HE1 PHE 519 HE2 PHE 519 4.991 3.496 -2.801 77 HE2 PHE 519 HE1 PHE 519 5.412 2.434 1.334 78 HZ PHE 519 HZ PHE 519 5.390 4.142 -0.444 79 H ASP 520 H ASP 520 5.379 -3.935 -1.905 80 HA ASP 520 HA ASP 520 3.844 -4.679 -4.293 81 1HB ASP 520 2HB ASP 520 6.601 -5.633 -3.629 82 2HB ASP 520 1HB ASP 520 5.450 -6.821 -4.220 83 H LEU 521 H LEU 521 2.696 -6.760 -3.845 84 HA LEU 521 HA LEU 521 2.951 -7.922 -1.174 85 1HB LEU 521 2HB LEU 521 1.631 -5.743 -0.918 86 2HB LEU 521 1HB LEU 521 0.352 -6.536 -1.837 87 HG LEU 521 HG LEU 521 1.567 -7.868 0.571 88 1HD1 LEU 521 1HD1 LEU 521 0.229 -5.381 0.650 89 2HD1 LEU 521 3HD1 LEU 521 -0.977 -6.572 1.145 90 3HD1 LEU 521 2HD1 LEU 521 0.549 -6.448 2.015 91 1HD2 LEU 521 2HD2 LEU 521 -1.002 -8.057 -1.015 92 2HD2 LEU 521 1HD2 LEU 521 0.228 -9.300 -0.803 93 3HD2 LEU 521 3HD2 LEU 521 -0.808 -8.842 0.552 94 H THR 522 H THR 522 2.435 -10.048 -1.320 95 HA THR 522 HA THR 522 1.253 -11.021 -3.793 96 HB THR 522 HB THR 522 1.787 -12.593 -1.262 97 HG1 THR 522 HG1 THR 522 3.427 -11.904 -3.460 98 1HG2 THR 522 3HG2 THR 522 1.534 -13.424 -4.166 99 2HG2 THR 522 2HG2 THR 522 1.943 -14.500 -2.830 100 3HG2 THR 522 1HG2 THR 522 0.353 -13.739 -2.895 101 H ALA 523 H ALA 523 -0.833 -11.468 -4.246 102 HA ALA 523 HA ALA 523 -2.764 -12.247 -2.263 103 1HB ALA 523 3HB ALA 523 -2.287 -9.429 -2.410 104 2HB ALA 523 2HB ALA 523 -3.900 -9.741 -3.021 105 3HB ALA 523 1HB ALA 523 -3.463 -10.288 -1.405 106 H THR 524 H THR 524 -4.943 -10.838 -3.904 107 HA THR 524 HA THR 524 -4.723 -11.611 -6.640 108 HB THR 524 HB THR 524 -4.421 -13.856 -6.182 109 HG1 THR 524 HG1 THR 524 -6.280 -14.770 -6.715 110 1HG2 THR 524 2HG2 THR 524 -5.248 -12.954 -3.612 111 2HG2 THR 524 1HG2 THR 524 -6.198 -14.399 -4.004 112 3HG2 THR 524 3HG2 THR 524 -4.433 -14.466 -4.025 113 H THR 525 H THR 525 -6.255 -10.280 -7.468 114 HA THR 525 HA THR 525 -8.982 -10.683 -6.224 115 HB THR 525 HB THR 525 -7.852 -8.486 -5.545 116 HG1 THR 525 HG1 THR 525 -10.183 -9.177 -5.626 117 1HG2 THR 525 1HG2 THR 525 -7.544 -8.212 -8.277 118 2HG2 THR 525 3HG2 THR 525 -8.954 -7.208 -7.946 119 3HG2 THR 525 2HG2 THR 525 -7.442 -6.895 -7.108 120 H THR 526 H THR 526 -10.153 -8.619 -8.006 121 HA THR 526 HA THR 526 -10.250 -10.252 -10.496 122 HB THR 526 HB THR 526 -12.332 -10.323 -9.353 123 HG1 THR 526 HG1 THR 526 -12.219 -9.557 -11.672 124 1HG2 THR 526 2HG2 THR 526 -12.050 -7.317 -9.053 125 2HG2 THR 526 1HG2 THR 526 -13.516 -8.208 -8.648 126 3HG2 THR 526 3HG2 THR 526 -12.025 -8.511 -7.757 127 H TYR 527 H TYR 527 -8.258 -8.455 -10.513 128 HA TYR 527 HA TYR 527 -7.423 -6.427 -11.404 129 1HB TYR 527 2HB TYR 527 -8.234 -8.154 -13.304 130 2HB TYR 527 1HB TYR 527 -9.289 -6.804 -13.683 131 HD1 TYR 527 HD2 TYR 527 -8.240 -4.497 -14.143 132 HD2 TYR 527 HD1 TYR 527 -5.916 -8.079 -13.774 133 HE1 TYR 527 HE2 TYR 527 -6.275 -3.357 -15.149 134 HE2 TYR 527 HE1 TYR 527 -3.990 -6.979 -14.710 135 HH TYR 527 HH TYR 527 -3.129 -5.001 -15.396 136 H GLY 528 H GLY 528 -9.702 -5.942 -9.639 137 1HA GLY 528 2HA GLY 528 -10.664 -3.432 -10.918 138 2HA GLY 528 1HA GLY 528 -11.857 -4.541 -10.246 139 H GLU 529 H GLU 529 -10.866 -5.310 -7.849 140 HA GLU 529 HA GLU 529 -11.256 -3.000 -6.204 141 1HB GLU 529 2HB GLU 529 -10.813 -4.394 -4.344 142 2HB GLU 529 1HB GLU 529 -11.609 -5.418 -5.531 143 1HG GLU 529 2HG GLU 529 -9.475 -6.329 -6.232 144 2HG GLU 529 1HG GLU 529 -8.623 -5.249 -5.131 145 H ASN 530 H ASN 530 -9.216 -3.363 -4.231 146 HA ASN 530 HA ASN 530 -6.645 -2.848 -5.574 147 1HB ASN 530 2HB ASN 530 -8.195 -0.672 -5.414 148 2HB ASN 530 1HB ASN 530 -7.533 -0.645 -3.778 149 1HD2 ASN 530 2HD2 ASN 530 -4.326 0.369 -4.815 150 2HD2 ASN 530 1HD2 ASN 530 -5.328 -0.059 -3.517 151 H ILE 531 H ILE 531 -4.960 -3.245 -4.279 152 HA ILE 531 HA ILE 531 -5.531 -3.719 -1.370 153 HB ILE 531 HB ILE 531 -4.862 -5.725 -3.065 154 1HG1 ILE 531 2HG1 ILE 531 -4.004 -5.296 -0.213 155 2HG1 ILE 531 1HG1 ILE 531 -5.422 -6.150 -0.803 156 1HG2 ILE 531 3HG2 ILE 531 -2.232 -4.569 -2.093 157 2HG2 ILE 531 2HG2 ILE 531 -2.418 -6.174 -2.788 158 3HG2 ILE 531 1HG2 ILE 531 -2.744 -4.744 -3.764 159 1HD1 ILE 531 2HD1 ILE 531 -3.066 -7.295 -2.023 160 2HD1 ILE 531 1HD1 ILE 531 -2.865 -7.241 -0.249 161 3HD1 ILE 531 3HD1 ILE 531 -4.263 -8.048 -0.963 162 H TYR 532 H TYR 532 -4.370 -2.159 -0.225 163 HA TYR 532 HA TYR 532 -1.687 -1.483 -1.150 164 1HB TYR 532 2HB TYR 532 -2.176 0.920 -1.249 165 2HB TYR 532 1HB TYR 532 -2.894 -0.004 -2.533 166 HD1 TYR 532 HD2 TYR 532 -5.474 -0.939 -1.510 167 HD2 TYR 532 HD1 TYR 532 -3.296 2.725 -0.694 168 HE1 TYR 532 HE2 TYR 532 -7.583 0.201 -0.884 169 HE2 TYR 532 HE1 TYR 532 -5.441 3.833 -0.084 170 HH TYR 532 HH TYR 532 -8.400 2.694 -0.885 171 H LEU 533 H LEU 533 -1.364 0.938 0.359 172 HA LEU 533 HA LEU 533 -2.253 -0.003 2.998 173 1HB LEU 533 2HB LEU 533 -0.093 -0.013 4.004 174 2HB LEU 533 1HB LEU 533 0.008 -0.982 2.544 175 HG LEU 533 HG LEU 533 0.670 1.878 2.217 176 1HD1 LEU 533 1HD1 LEU 533 1.687 0.719 4.457 177 2HD1 LEU 533 3HD1 LEU 533 2.915 0.312 3.256 178 3HD1 LEU 533 2HD1 LEU 533 2.485 2.002 3.541 179 1HD2 LEU 533 2HD2 LEU 533 1.756 -0.780 1.297 180 2HD2 LEU 533 1HD2 LEU 533 0.935 0.441 0.326 181 3HD2 LEU 533 3HD2 LEU 533 2.564 0.744 0.931 182 H VAL 534 H VAL 534 -3.054 1.441 4.118 183 HA VAL 534 HA VAL 534 -2.704 4.286 3.568 184 HB VAL 534 HB VAL 534 -4.879 3.190 4.337 185 1HG1 VAL 534 1HG1 VAL 534 -3.536 1.883 6.179 186 2HG1 VAL 534 3HG1 VAL 534 -3.858 3.358 7.104 187 3HG1 VAL 534 2HG1 VAL 534 -5.197 2.422 6.452 188 1HG2 VAL 534 3HG2 VAL 534 -3.743 5.587 5.482 189 2HG2 VAL 534 2HG2 VAL 534 -5.353 5.303 4.861 190 3HG2 VAL 534 1HG2 VAL 534 -4.971 4.827 6.517 191 H GLY 535 H GLY 535 -0.539 4.721 4.002 192 1HA GLY 535 2HA GLY 535 0.708 3.618 6.458 193 2HA GLY 535 1HA GLY 535 1.554 4.577 5.219 194 H SER 536 H SER 536 1.541 4.990 8.116 195 HA SER 536 HA SER 536 -0.274 7.193 8.878 196 1HB SER 536 2HB SER 536 0.285 5.636 10.524 197 2HB SER 536 1HB SER 536 1.998 5.735 10.190 198 HG SER 536 HG SER 536 0.948 6.965 12.069 199 H ILE 537 H ILE 537 1.299 8.270 6.720 200 HA ILE 537 HA ILE 537 2.896 10.116 8.264 201 HB ILE 537 HB ILE 537 2.981 9.916 5.293 202 1HG1 ILE 537 2HG1 ILE 537 4.092 8.160 7.374 203 2HG1 ILE 537 1HG1 ILE 537 3.760 7.815 5.691 204 1HG2 ILE 537 1HG2 ILE 537 4.182 11.656 7.223 205 2HG2 ILE 537 3HG2 ILE 537 5.442 10.789 6.351 206 3HG2 ILE 537 2HG2 ILE 537 4.251 11.728 5.468 207 1HD1 ILE 537 1HD1 ILE 537 5.930 9.591 5.637 208 2HD1 ILE 537 3HD1 ILE 537 6.276 8.481 6.958 209 3HD1 ILE 537 2HD1 ILE 537 5.970 7.856 5.340 210 H SER 538 H SER 538 2.660 12.321 8.146 211 HA SER 538 HA SER 538 0.068 13.310 8.136 212 1HB SER 538 2HB SER 538 2.710 14.555 7.613 213 2HB SER 538 1HB SER 538 1.315 15.488 7.079 214 HG SER 538 HG SER 538 2.226 14.976 9.593 215 H GLN 539 H GLN 539 1.897 12.440 5.313 216 HA GLN 539 HA GLN 539 -0.153 13.540 3.484 217 1HB GLN 539 2HB GLN 539 2.518 13.581 3.126 218 2HB GLN 539 1HB GLN 539 2.206 11.952 2.525 219 1HG GLN 539 2HG GLN 539 0.417 12.936 1.038 220 2HG GLN 539 1HG GLN 539 0.979 14.535 1.526 221 1HE2 GLN 539 2HE2 GLN 539 3.466 12.219 -0.802 222 2HE2 GLN 539 1HE2 GLN 539 2.318 11.456 0.190 223 H LEU 540 H LEU 540 1.596 10.699 4.529 224 HA LEU 540 HA LEU 540 -0.242 8.844 3.272 225 1HB LEU 540 2HB LEU 540 2.315 8.641 4.637 226 2HB LEU 540 1HB LEU 540 1.202 7.426 5.202 227 HG LEU 540 HG LEU 540 2.114 7.912 2.373 228 1HD1 LEU 540 3HD1 LEU 540 2.689 5.991 4.530 229 2HD1 LEU 540 2HD1 LEU 540 2.301 5.221 2.988 230 3HD1 LEU 540 1HD1 LEU 540 3.633 6.379 3.086 231 1HD2 LEU 540 1HD2 LEU 540 -0.389 6.776 3.394 232 2HD2 LEU 540 3HD2 LEU 540 0.043 7.236 1.747 233 3HD2 LEU 540 2HD2 LEU 540 0.506 5.652 2.369 234 H GLY 541 H GLY 541 -2.098 9.550 4.158 235 1HA GLY 541 2HA GLY 541 -2.708 9.836 6.927 236 2HA GLY 541 1HA GLY 541 -3.896 9.851 5.619 237 H ASP 542 H ASP 542 -1.702 7.673 7.205 238 HA ASP 542 HA ASP 542 -2.605 5.088 6.614 239 1HB ASP 542 2HB ASP 542 -0.753 5.745 8.115 240 2HB ASP 542 1HB ASP 542 -1.876 5.981 9.343 241 H TRP 543 H TRP 543 -4.201 7.447 8.238 242 HA TRP 543 HA TRP 543 -6.048 5.503 9.398 243 1HB TRP 543 2HB TRP 543 -5.357 8.236 10.416 244 2HB TRP 543 1HB TRP 543 -6.000 6.858 11.299 245 HD1 TRP 543 HD1 TRP 543 -2.717 8.539 10.859 246 HE1 TRP 543 HE1 TRP 543 -0.808 7.046 11.532 247 HE3 TRP 543 HE3 TRP 543 -4.964 3.938 10.536 248 HZ2 TRP 543 HZ2 TRP 543 -0.194 4.326 11.781 249 HZ3 TRP 543 HZ3 TRP 543 -3.598 1.907 10.947 250 HH2 TRP 543 HH2 TRP 543 -1.223 2.095 11.578 251 H GLU 544 H GLU 544 -6.127 6.336 6.886 252 HA GLU 544 HA GLU 544 -8.734 7.060 6.301 253 1HB GLU 544 2HB GLU 544 -7.998 9.344 7.153 254 2HB GLU 544 1HB GLU 544 -6.819 9.361 5.845 255 1HG GLU 544 2HG GLU 544 -8.471 9.400 4.173 256 2HG GLU 544 1HG GLU 544 -9.734 8.865 5.286 257 H THR 545 H THR 545 -8.320 5.371 4.826 258 HA THR 545 HA THR 545 -6.052 4.969 3.286 259 HB THR 545 HB THR 545 -7.646 3.992 1.526 260 HG1 THR 545 HG1 THR 545 -9.548 4.794 3.467 261 1HG2 THR 545 2HG2 THR 545 -6.935 3.080 4.049 262 2HG2 THR 545 1HG2 THR 545 -8.678 2.826 3.986 263 3HG2 THR 545 3HG2 THR 545 -7.637 2.104 2.761 264 H SER 546 H SER 546 -8.297 7.607 3.043 265 HA SER 546 HA SER 546 -8.332 8.327 0.366 266 1HB SER 546 2HB SER 546 -7.823 10.272 2.627 267 2HB SER 546 1HB SER 546 -8.603 10.615 1.086 268 HG SER 546 HG SER 546 -10.336 9.417 1.697 269 H ASP 547 H ASP 547 -5.527 8.211 2.415 270 HA ASP 547 HA ASP 547 -3.933 9.240 0.133 271 1HB ASP 547 2HB ASP 547 -3.531 10.129 3.002 272 2HB ASP 547 1HB ASP 547 -2.588 10.647 1.604 273 H GLY 548 H GLY 548 -4.168 6.501 0.818 274 1HA GLY 548 2HA GLY 548 -1.782 5.845 2.420 275 2HA GLY 548 1HA GLY 548 -2.927 4.686 1.725 276 H ILE 549 H ILE 549 -2.016 3.528 0.181 277 HA ILE 549 HA ILE 549 -0.734 4.855 -2.037 278 HB ILE 549 HB ILE 549 1.257 3.050 -1.740 279 1HG1 ILE 549 2HG1 ILE 549 0.413 3.881 1.048 280 2HG1 ILE 549 1HG1 ILE 549 0.437 2.238 0.406 281 1HG2 ILE 549 1HG2 ILE 549 1.288 5.636 -1.981 282 2HG2 ILE 549 3HG2 ILE 549 1.419 5.649 -0.223 283 3HG2 ILE 549 2HG2 ILE 549 2.668 4.860 -1.192 284 1HD1 ILE 549 3HD1 ILE 549 2.882 2.400 0.087 285 2HD1 ILE 549 2HD1 ILE 549 2.855 4.037 0.742 286 3HD1 ILE 549 1HD1 ILE 549 2.443 2.668 1.774 287 H ALA 550 H ALA 550 -2.532 3.989 -3.020 288 HA ALA 550 HA ALA 550 -3.442 1.379 -3.173 289 1HB ALA 550 2HB ALA 550 -4.596 3.310 -3.933 290 2HB ALA 550 1HB ALA 550 -3.452 3.501 -5.267 291 3HB ALA 550 3HB ALA 550 -4.524 2.099 -5.216 292 H LEU 551 H LEU 551 -2.907 -0.505 -4.212 293 HA LEU 551 HA LEU 551 -0.676 -0.504 -6.264 294 1HB LEU 551 2HB LEU 551 -1.464 -2.773 -4.384 295 2HB LEU 551 1HB LEU 551 -0.196 -2.829 -5.574 296 HG LEU 551 HG LEU 551 1.279 -1.792 -4.234 297 1HD1 LEU 551 3HD1 LEU 551 -0.969 -0.230 -2.975 298 2HD1 LEU 551 2HD1 LEU 551 0.747 0.003 -2.649 299 3HD1 LEU 551 1HD1 LEU 551 0.097 0.362 -4.245 300 1HD2 LEU 551 2HD2 LEU 551 -0.758 -3.122 -2.579 301 2HD2 LEU 551 1HD2 LEU 551 0.983 -3.387 -2.653 302 3HD2 LEU 551 3HD2 LEU 551 0.335 -2.053 -1.700 303 H SER 552 H SER 552 -1.180 -1.626 -8.182 304 HA SER 552 HA SER 552 -3.639 -3.304 -8.027 305 1HB SER 552 2HB SER 552 -3.797 -0.955 -9.463 306 2HB SER 552 1HB SER 552 -3.325 -2.167 -10.660 307 HG SER 552 HG SER 552 -5.665 -1.879 -10.143 308 H ALA 553 H ALA 553 -1.954 -2.828 -11.136 309 HA ALA 553 HA ALA 553 -0.679 -5.418 -10.532 310 1HB ALA 553 1HB ALA 553 -3.018 -5.158 -12.037 311 2HB ALA 553 3HB ALA 553 -1.738 -5.452 -13.210 312 3HB ALA 553 2HB ALA 553 -2.006 -6.584 -11.903 313 H ASP 554 H ASP 554 1.264 -5.599 -11.041 314 HA ASP 554 HA ASP 554 2.605 -3.902 -13.070 315 1HB ASP 554 2HB ASP 554 4.661 -4.914 -12.353 316 2HB ASP 554 1HB ASP 554 3.746 -4.621 -10.887 317 H LYS 555 H LYS 555 0.479 -5.999 -13.715 318 HA LYS 555 HA LYS 555 0.148 -7.428 -15.553 319 1HB LYS 555 2HB LYS 555 3.026 -7.173 -16.330 320 2HB LYS 555 1HB LYS 555 1.593 -7.143 -17.353 321 1HG LYS 555 2HG LYS 555 1.518 -4.871 -17.284 322 2HG LYS 555 1HG LYS 555 1.625 -4.825 -15.523 323 1HD LYS 555 2HD LYS 555 4.174 -5.623 -16.350 324 2HD LYS 555 1HD LYS 555 3.706 -4.380 -17.512 325 1HE LYS 555 2HE LYS 555 3.003 -2.953 -15.523 326 2HE LYS 555 1HE LYS 555 3.802 -4.141 -14.492 327 1HZ LYS 555 2HZ LYS 555 5.696 -3.703 -16.304 328 2HZ LYS 555 1HZ LYS 555 4.950 -2.177 -16.295 329 3HZ LYS 555 3HZ LYS 555 5.570 -2.824 -14.856 330 H TYR 556 H TYR 556 -0.071 -9.303 -14.071 331 HA TYR 556 HA TYR 556 2.469 -10.881 -13.773 332 1HB TYR 556 2HB TYR 556 0.338 -11.841 -12.036 333 2HB TYR 556 1HB TYR 556 1.943 -11.344 -11.581 334 HD1 TYR 556 HD2 TYR 556 1.328 -8.387 -12.665 335 HD2 TYR 556 HD1 TYR 556 -0.626 -10.957 -9.831 336 HE1 TYR 556 HE2 TYR 556 0.041 -6.573 -11.763 337 HE2 TYR 556 HE1 TYR 556 -1.848 -9.151 -9.034 338 HH TYR 556 HH TYR 556 -2.142 -7.039 -8.994 339 H THR 557 H THR 557 -1.065 -11.304 -13.990 340 HA THR 557 HA THR 557 -0.951 -13.193 -16.134 341 HB THR 557 HB THR 557 -1.690 -14.318 -13.440 342 HG1 THR 557 HG1 THR 557 0.403 -15.013 -15.202 343 1HG2 THR 557 2HG2 THR 557 -1.801 -15.401 -16.250 344 2HG2 THR 557 1HG2 THR 557 -1.759 -16.455 -14.837 345 3HG2 THR 557 3HG2 THR 557 -3.100 -15.332 -15.060 346 H SER 558 H SER 558 -3.366 -13.581 -13.702 347 HA SER 558 HA SER 558 -5.463 -12.814 -15.579 348 1HB SER 558 2HB SER 558 -5.914 -14.863 -14.697 349 2HB SER 558 1HB SER 558 -5.372 -14.416 -13.082 350 HG SER 558 HG SER 558 -7.782 -14.551 -13.711 351 H SER 559 H SER 559 -4.748 -11.232 -12.219 352 HA SER 559 HA SER 559 -6.787 -9.272 -13.085 353 1HB SER 559 2HB SER 559 -7.363 -10.044 -10.370 354 2HB SER 559 1HB SER 559 -8.429 -9.958 -11.761 355 HG SER 559 HG SER 559 -8.364 -12.071 -11.365 356 H ASP 560 H ASP 560 -5.712 -9.698 -9.724 357 HA ASP 560 HA ASP 560 -3.940 -7.237 -9.892 358 1HB ASP 560 2HB ASP 560 -6.533 -6.992 -9.161 359 2HB ASP 560 1HB ASP 560 -5.773 -7.278 -7.593 360 HA PRO 561 HA PRO 561 -3.343 -10.656 -6.173 361 1HB PRO 561 2HB PRO 561 -1.653 -12.427 -7.453 362 2HB PRO 561 1HB PRO 561 -3.373 -12.668 -7.120 363 1HG PRO 561 2HG PRO 561 -2.099 -11.674 -9.633 364 2HG PRO 561 1HG PRO 561 -3.462 -12.726 -9.411 365 1HD PRO 561 2HD PRO 561 -3.744 -10.228 -10.133 366 2HD PRO 561 1HD PRO 561 -4.896 -11.037 -9.045 367 H LEU 562 H LEU 562 -0.365 -10.079 -8.242 368 HA LEU 562 HA LEU 562 1.102 -10.120 -5.753 369 1HB LEU 562 2HB LEU 562 3.070 -9.341 -7.091 370 2HB LEU 562 1HB LEU 562 2.338 -10.809 -7.718 371 HG LEU 562 HG LEU 562 1.427 -9.704 -9.580 372 1HD1 LEU 562 2HD1 LEU 562 1.877 -7.116 -8.052 373 2HD1 LEU 562 1HD1 LEU 562 1.480 -7.149 -9.759 374 3HD1 LEU 562 3HD1 LEU 562 0.346 -7.798 -8.581 375 1HD2 LEU 562 3HD2 LEU 562 4.109 -9.571 -9.102 376 2HD2 LEU 562 2HD2 LEU 562 3.349 -9.149 -10.637 377 3HD2 LEU 562 1HD2 LEU 562 3.737 -7.886 -9.468 378 H TRP 563 H TRP 563 -0.864 -7.895 -7.229 379 HA TRP 563 HA TRP 563 -0.998 -5.538 -7.208 380 1HB TRP 563 2HB TRP 563 -0.465 -5.863 -4.286 381 2HB TRP 563 1HB TRP 563 -1.542 -4.721 -5.093 382 HD1 TRP 563 HD1 TRP 563 -1.121 -8.508 -4.885 383 HE1 TRP 563 HE1 TRP 563 -3.469 -9.648 -4.704 384 HE3 TRP 563 HE3 TRP 563 -4.009 -4.378 -5.309 385 HZ2 TRP 563 HZ2 TRP 563 -6.181 -8.788 -4.767 386 HZ3 TRP 563 HZ3 TRP 563 -6.476 -4.585 -5.263 387 HH2 TRP 563 HH2 TRP 563 -7.542 -6.765 -4.994 388 H TYR 564 H TYR 564 0.606 -4.461 -8.239 389 HA TYR 564 HA TYR 564 3.192 -4.029 -6.794 390 1HB TYR 564 2HB TYR 564 4.060 -3.192 -8.905 391 2HB TYR 564 1HB TYR 564 3.197 -4.699 -9.207 392 HD1 TYR 564 HD1 TYR 564 0.579 -2.810 -8.504 393 HD2 TYR 564 HD2 TYR 564 3.561 -2.943 -11.548 394 HE1 TYR 564 HE1 TYR 564 -0.916 -1.648 -9.943 395 HE2 TYR 564 HE2 TYR 564 2.022 -1.768 -13.088 396 HH TYR 564 HH TYR 564 -1.081 -1.555 -12.777 397 H VAL 565 H VAL 565 4.132 -1.627 -7.097 398 HA VAL 565 HA VAL 565 2.224 0.490 -7.408 399 HB VAL 565 HB VAL 565 1.281 -0.369 -5.360 400 1HG1 VAL 565 1HG1 VAL 565 4.141 -0.229 -4.526 401 2HG1 VAL 565 3HG1 VAL 565 2.897 -0.017 -3.302 402 3HG1 VAL 565 2HG1 VAL 565 2.982 -1.516 -4.235 403 1HG2 VAL 565 2HG2 VAL 565 1.334 2.091 -5.730 404 2HG2 VAL 565 1HG2 VAL 565 1.399 1.682 -4.016 405 3HG2 VAL 565 3HG2 VAL 565 2.868 2.164 -4.862 406 H THR 566 H THR 566 2.998 2.549 -6.954 407 HA THR 566 HA THR 566 5.757 2.931 -5.998 408 HB THR 566 HB THR 566 5.025 3.830 -8.801 409 HG1 THR 566 HG1 THR 566 6.286 2.131 -9.503 410 1HG2 THR 566 1HG2 THR 566 7.142 4.443 -6.947 411 2HG2 THR 566 3HG2 THR 566 7.815 3.627 -8.359 412 3HG2 THR 566 2HG2 THR 566 6.864 5.099 -8.561 413 H VAL 567 H VAL 567 5.047 4.413 -4.452 414 HA VAL 567 HA VAL 567 3.546 6.780 -5.515 415 HB VAL 567 HB VAL 567 3.338 6.031 -2.630 416 1HG1 VAL 567 2HG1 VAL 567 2.083 7.803 -4.502 417 2HG1 VAL 567 1HG1 VAL 567 0.870 6.668 -3.911 418 3HG1 VAL 567 3HG1 VAL 567 1.784 7.654 -2.770 419 1HG2 VAL 567 2HG2 VAL 567 2.440 4.360 -4.897 420 2HG2 VAL 567 1HG2 VAL 567 2.661 3.930 -3.201 421 3HG2 VAL 567 3HG2 VAL 567 1.181 4.735 -3.720 422 H THR 568 H THR 568 3.715 8.439 -3.311 423 HA THR 568 HA THR 568 6.663 8.783 -2.956 424 HB THR 568 HB THR 568 5.849 11.312 -2.749 425 HG1 THR 568 HG1 THR 568 4.007 11.693 -3.714 426 1HG2 THR 568 1HG2 THR 568 6.914 9.638 -4.847 427 2HG2 THR 568 3HG2 THR 568 5.911 10.912 -5.540 428 3HG2 THR 568 2HG2 THR 568 7.267 11.330 -4.493 429 H LEU 569 H LEU 569 7.227 10.102 -1.014 430 HA LEU 569 HA LEU 569 5.254 10.365 1.118 431 1HB LEU 569 2HB LEU 569 5.782 7.915 1.159 432 2HB LEU 569 1HB LEU 569 7.485 8.309 1.393 433 HG LEU 569 HG LEU 569 6.094 7.724 3.480 434 1HD1 LEU 569 1HD1 LEU 569 8.348 9.105 3.148 435 2HD1 LEU 569 3HD1 LEU 569 7.362 10.410 3.809 436 3HD1 LEU 569 2HD1 LEU 569 7.611 8.930 4.734 437 1HD2 LEU 569 3HD2 LEU 569 4.380 9.641 2.495 438 2HD2 LEU 569 2HD2 LEU 569 4.397 9.102 4.169 439 3HD2 LEU 569 1HD2 LEU 569 5.281 10.560 3.698 440 HA PRO 570 HA PRO 570 8.763 13.278 1.335 441 1HB PRO 570 2HB PRO 570 7.182 15.497 1.632 442 2HB PRO 570 1HB PRO 570 7.598 14.794 0.059 443 1HG PRO 570 2HG PRO 570 5.008 14.708 1.519 444 2HG PRO 570 1HG PRO 570 5.324 14.529 -0.214 445 1HD PRO 570 2HD PRO 570 4.806 12.428 1.655 446 2HD PRO 570 1HD PRO 570 5.303 12.249 -0.042 447 H ALA 571 H ALA 571 9.672 13.016 3.396 448 HA ALA 571 HA ALA 571 8.585 14.627 5.552 449 1HB ALA 571 3HB ALA 571 8.464 11.617 5.779 450 2HB ALA 571 2HB ALA 571 8.405 12.695 7.172 451 3HB ALA 571 1HB ALA 571 7.141 12.765 5.950 452 H GLY 572 H GLY 572 10.018 13.464 7.723 453 1HA GLY 572 2HA GLY 572 12.803 13.083 6.791 454 2HA GLY 572 1HA GLY 572 12.493 14.550 7.710 455 H GLU 573 H GLU 573 11.029 11.372 8.252 456 HA GLU 573 HA GLU 573 12.686 10.725 10.560 457 1HB GLU 573 2HB GLU 573 10.947 12.598 11.232 458 2HB GLU 573 1HB GLU 573 9.816 11.245 11.257 459 1HG GLU 573 2HG GLU 573 10.557 10.980 13.395 460 2HG GLU 573 1HG GLU 573 11.918 10.170 12.620 461 H SER 574 H SER 574 10.122 9.378 11.710 462 HA SER 574 HA SER 574 9.699 7.349 9.569 463 1HB SER 574 2HB SER 574 10.086 5.501 11.068 464 2HB SER 574 1HB SER 574 11.478 6.570 11.209 465 HG SER 574 HG SER 574 10.779 7.245 13.144 466 H PHE 575 H PHE 575 7.489 7.336 9.178 467 HA PHE 575 HA PHE 575 5.706 8.022 11.476 468 1HB PHE 575 2HB PHE 575 5.423 8.130 8.570 469 2HB PHE 575 1HB PHE 575 3.987 7.584 9.431 470 HD1 PHE 575 HD1 PHE 575 3.729 8.947 11.820 471 HD2 PHE 575 HD2 PHE 575 5.482 10.453 8.217 472 HE1 PHE 575 HE1 PHE 575 3.249 11.265 12.558 473 HE2 PHE 575 HE2 PHE 575 5.002 12.774 8.941 474 HZ PHE 575 HZ PHE 575 3.885 13.180 11.117 475 H GLU 576 H GLU 576 3.411 6.581 10.934 476 HA GLU 576 HA GLU 576 4.336 3.844 11.666 477 1HB GLU 576 2HB GLU 576 1.912 5.417 12.156 478 2HB GLU 576 1HB GLU 576 1.603 3.725 11.772 479 1HG GLU 576 2HG GLU 576 3.840 3.901 13.570 480 2HG GLU 576 1HG GLU 576 2.488 4.818 14.237 481 H TYR 577 H TYR 577 2.791 2.026 10.723 482 HA TYR 577 HA TYR 577 2.151 2.581 7.889 483 1HB TYR 577 2HB TYR 577 4.437 0.945 8.803 484 2HB TYR 577 1HB TYR 577 3.452 0.241 7.521 485 HD1 TYR 577 HD2 TYR 577 5.275 3.383 8.488 486 HD2 TYR 577 HD1 TYR 577 3.599 0.999 5.329 487 HE1 TYR 577 HE2 TYR 577 6.233 4.908 6.813 488 HE2 TYR 577 HE1 TYR 577 4.567 2.540 3.648 489 HH TYR 577 HH TYR 577 5.291 5.209 3.818 490 H LYS 578 H LYS 578 0.173 1.813 7.596 491 HA LYS 578 HA LYS 578 -0.516 -0.865 8.724 492 1HB LYS 578 2HB LYS 578 -1.615 1.341 9.780 493 2HB LYS 578 1HB LYS 578 -2.678 1.167 8.383 494 1HG LYS 578 2HG LYS 578 -3.835 -0.276 9.698 495 2HG LYS 578 1HG LYS 578 -2.548 -1.415 9.300 496 1HD LYS 578 2HD LYS 578 -2.145 0.486 11.582 497 2HD LYS 578 1HD LYS 578 -3.158 -0.934 11.824 498 1HE LYS 578 2HE LYS 578 -1.344 -2.257 11.975 499 2HE LYS 578 1HE LYS 578 -0.762 -1.689 10.411 500 1HZ LYS 578 3HZ LYS 578 -0.344 0.386 12.176 501 2HZ LYS 578 2HZ LYS 578 0.144 -1.011 13.010 502 3HZ LYS 578 1HZ LYS 578 0.832 -0.634 11.502 503 H PHE 579 H PHE 579 -1.189 -2.225 7.110 504 HA PHE 579 HA PHE 579 -1.681 -1.009 4.437 505 1HB PHE 579 2HB PHE 579 -0.021 -2.848 4.609 506 2HB PHE 579 1HB PHE 579 -1.291 -3.916 5.212 507 HD1 PHE 579 HD1 PHE 579 -3.475 -4.000 3.740 508 HD2 PHE 579 HD2 PHE 579 0.379 -2.789 2.296 509 HE1 PHE 579 HE1 PHE 579 -4.186 -4.478 1.446 510 HE2 PHE 579 HE2 PHE 579 -0.354 -3.276 -0.025 511 HZ PHE 579 HZ PHE 579 -2.656 -4.110 -0.419 512 H ILE 580 H ILE 580 -3.460 -1.407 3.273 513 HA ILE 580 HA ILE 580 -5.763 -2.581 4.653 514 HB ILE 580 HB ILE 580 -7.093 -0.689 3.955 515 1HG1 ILE 580 2HG1 ILE 580 -4.836 -0.449 2.076 516 2HG1 ILE 580 1HG1 ILE 580 -6.554 -0.061 1.852 517 1HG2 ILE 580 2HG2 ILE 580 -4.370 0.254 4.898 518 2HG2 ILE 580 1HG2 ILE 580 -5.855 1.203 4.989 519 3HG2 ILE 580 3HG2 ILE 580 -5.688 -0.277 5.938 520 1HD1 ILE 580 3HD1 ILE 580 -5.710 1.909 3.551 521 2HD1 ILE 580 2HD1 ILE 580 -4.288 1.666 2.536 522 3HD1 ILE 580 1HD1 ILE 580 -5.840 2.070 1.806 523 H ARG 581 H ARG 581 -6.173 -4.472 3.509 524 HA ARG 581 HA ARG 581 -5.757 -4.518 0.593 525 1HB ARG 581 2HB ARG 581 -5.305 -6.620 1.496 526 2HB ARG 581 1HB ARG 581 -6.648 -6.537 2.629 527 1HG ARG 581 2HG ARG 581 -8.218 -7.164 1.029 528 2HG ARG 581 1HG ARG 581 -7.262 -6.521 -0.304 529 1HD ARG 581 2HD ARG 581 -5.570 -8.395 0.292 530 2HD ARG 581 1HD ARG 581 -6.910 -9.120 1.178 531 HE ARG 581 HE ARG 581 -7.486 -8.383 -1.617 532 1HH1 ARG 581 2HH1 ARG 581 -9.183 -10.389 -0.440 533 2HH1 ARG 581 1HH1 ARG 581 -8.479 -11.892 -0.934 534 1HH2 ARG 581 1HH2 ARG 581 -5.423 -10.487 -1.778 535 2HH2 ARG 581 2HH2 ARG 581 -6.350 -11.948 -1.691 536 H ILE 582 H ILE 582 -7.177 -3.313 -0.520 537 HA ILE 582 HA ILE 582 -9.980 -3.201 0.373 538 HB ILE 582 HB ILE 582 -8.350 -1.416 -1.089 539 1HG1 ILE 582 2HG1 ILE 582 -10.000 -0.843 0.603 540 2HG1 ILE 582 1HG1 ILE 582 -10.454 -0.035 -0.904 541 1HG2 ILE 582 2HG2 ILE 582 -10.329 -2.761 -2.867 542 2HG2 ILE 582 1HG2 ILE 582 -10.429 -1.010 -2.823 543 3HG2 ILE 582 3HG2 ILE 582 -8.926 -1.789 -3.277 544 1HD1 ILE 582 3HD1 ILE 582 -11.785 -2.255 -1.365 545 2HD1 ILE 582 2HD1 ILE 582 -11.686 -2.451 0.387 546 3HD1 ILE 582 1HD1 ILE 582 -12.491 -1.037 -0.291 547 H GLU 583 H GLU 583 -11.724 -4.197 -0.533 548 HA GLU 583 HA GLU 583 -11.120 -6.449 -2.346 549 1HB GLU 583 2HB GLU 583 -12.549 -6.418 -0.109 550 2HB GLU 583 1HB GLU 583 -13.838 -5.990 -1.234 551 1HG GLU 583 2HG GLU 583 -13.637 -7.999 -2.434 552 2HG GLU 583 1HG GLU 583 -12.011 -8.308 -1.824 553 H SER 584 H SER 584 -12.965 -7.032 -3.921 554 HA SER 584 HA SER 584 -13.330 -4.795 -5.761 555 1HB SER 584 2HB SER 584 -14.396 -6.480 -7.215 556 2HB SER 584 1HB SER 584 -12.859 -7.073 -6.591 557 HG SER 584 HG SER 584 -13.917 -8.393 -5.222 558 H ASP 585 H ASP 585 -15.137 -6.141 -3.187 559 HA ASP 585 HA ASP 585 -17.681 -5.074 -4.213 560 1HB ASP 585 2HB ASP 585 -18.138 -5.876 -1.644 561 2HB ASP 585 1HB ASP 585 -18.383 -6.901 -3.045 562 H ASP 586 H ASP 586 -15.182 -3.519 -3.392 563 HA ASP 586 HA ASP 586 -14.732 -1.504 -2.246 564 1HB ASP 586 2HB ASP 586 -17.124 -1.140 -3.373 565 2HB ASP 586 1HB ASP 586 -17.646 -1.113 -1.688 566 H SER 587 H SER 587 -13.811 -2.727 -0.468 567 HA SER 587 HA SER 587 -15.040 -2.178 2.111 568 1HB SER 587 2HB SER 587 -16.050 -4.390 0.950 569 2HB SER 587 1HB SER 587 -14.602 -5.071 1.682 570 HG SER 587 HG SER 587 -15.381 -4.664 3.635 571 H VAL 588 H VAL 588 -13.071 -1.558 3.104 572 HA VAL 588 HA VAL 588 -10.644 -2.998 2.264 573 HB VAL 588 HB VAL 588 -10.421 -1.133 4.530 574 1HG1 VAL 588 1HG1 VAL 588 -9.028 -1.710 1.927 575 2HG1 VAL 588 3HG1 VAL 588 -8.590 -0.310 2.914 576 3HG1 VAL 588 2HG1 VAL 588 -8.428 -1.940 3.573 577 1HG2 VAL 588 3HG2 VAL 588 -11.250 -0.170 1.784 578 2HG2 VAL 588 2HG2 VAL 588 -12.137 0.053 3.292 579 3HG2 VAL 588 1HG2 VAL 588 -10.578 0.842 3.063 580 H GLU 589 H GLU 589 -9.404 -4.258 3.511 581 HA GLU 589 HA GLU 589 -10.436 -5.080 6.195 582 1HB GLU 589 2HB GLU 589 -8.745 -7.064 5.631 583 2HB GLU 589 1HB GLU 589 -10.397 -7.116 4.995 584 1HG GLU 589 2HG GLU 589 -9.694 -6.298 2.877 585 2HG GLU 589 1HG GLU 589 -8.103 -5.839 3.504 586 H TRP 590 H TRP 590 -9.249 -2.987 6.665 587 HA TRP 590 HA TRP 590 -6.634 -2.402 6.170 588 1HB TRP 590 2HB TRP 590 -8.374 -1.888 8.514 589 2HB TRP 590 1HB TRP 590 -6.650 -1.523 8.664 590 HD1 TRP 590 HD1 TRP 590 -8.591 -1.266 5.391 591 HE1 TRP 590 HE1 TRP 590 -8.554 1.163 4.585 592 HE3 TRP 590 HE3 TRP 590 -6.348 0.945 9.395 593 HZ2 TRP 590 HZ2 TRP 590 -7.738 3.775 5.570 594 HZ3 TRP 590 HZ3 TRP 590 -5.950 3.384 9.386 595 HH2 TRP 590 HH2 TRP 590 -6.630 4.798 7.558 596 H GLU 591 H GLU 591 -5.343 -4.257 5.960 597 HA GLU 591 HA GLU 591 -4.959 -6.248 7.944 598 1HB GLU 591 2HB GLU 591 -3.985 -6.622 5.789 599 2HB GLU 591 1HB GLU 591 -3.112 -5.090 5.849 600 1HG GLU 591 2HG GLU 591 -1.475 -5.917 7.234 601 2HG GLU 591 1HG GLU 591 -2.581 -7.027 8.044 602 H SER 592 H SER 592 -4.906 -5.266 9.961 603 HA SER 592 HA SER 592 -2.785 -3.249 10.423 604 1HB SER 592 2HB SER 592 -5.040 -2.540 10.991 605 2HB SER 592 1HB SER 592 -5.291 -3.995 11.957 606 HG SER 592 HG SER 592 -3.040 -2.596 12.665 607 H ASP 593 H ASP 593 -2.489 -6.242 10.225 608 HA ASP 593 HA ASP 593 -1.687 -6.964 12.976 609 1HB ASP 593 2HB ASP 593 -2.285 -8.423 10.505 610 2HB ASP 593 1HB ASP 593 -0.827 -9.008 11.308 611 HA PRO 594 HA PRO 594 2.596 -6.944 10.914 612 1HB PRO 594 2HB PRO 594 2.775 -6.548 8.200 613 2HB PRO 594 1HB PRO 594 2.616 -8.151 8.940 614 1HG PRO 594 2HG PRO 594 0.555 -6.526 7.507 615 2HG PRO 594 1HG PRO 594 0.704 -8.286 7.639 616 1HD PRO 594 2HD PRO 594 -1.087 -6.703 9.109 617 2HD PRO 594 1HD PRO 594 -0.603 -8.366 9.508 618 H ASN 595 H ASN 595 3.016 -4.897 11.839 619 HA ASN 595 HA ASN 595 2.274 -2.501 10.209 620 1HB ASN 595 2HB ASN 595 2.422 -1.222 12.289 621 2HB ASN 595 1HB ASN 595 1.338 -2.595 12.515 622 1HD2 ASN 595 2HD2 ASN 595 3.251 -3.862 15.172 623 2HD2 ASN 595 1HD2 ASN 595 1.746 -3.757 14.394 624 H ARG 596 H ARG 596 3.884 -0.669 10.341 625 HA ARG 596 HA ARG 596 6.646 -1.349 11.029 626 1HB ARG 596 2HB ARG 596 5.637 -1.618 8.278 627 2HB ARG 596 1HB ARG 596 7.072 -0.601 8.413 628 1HG ARG 596 2HG ARG 596 8.164 -2.419 9.753 629 2HG ARG 596 1HG ARG 596 6.764 -3.441 9.425 630 1HD ARG 596 2HD ARG 596 7.741 -2.248 6.974 631 2HD ARG 596 1HD ARG 596 9.034 -3.120 7.795 632 HE ARG 596 HE ARG 596 6.756 -4.329 6.493 633 1HH1 ARG 596 1HH2 ARG 596 5.824 -5.756 8.519 634 2HH1 ARG 596 2HH2 ARG 596 7.005 -6.936 8.979 635 1HH2 ARG 596 2HH1 ARG 596 9.622 -5.335 7.364 636 2HH2 ARG 596 1HH1 ARG 596 9.155 -6.698 8.325 637 H GLU 597 H GLU 597 7.951 0.612 9.524 638 HA GLU 597 HA GLU 597 6.442 3.131 9.916 639 1HB GLU 597 2HB GLU 597 8.583 4.018 11.120 640 2HB GLU 597 1HB GLU 597 7.419 3.073 12.049 641 1HG GLU 597 2HG GLU 597 8.793 1.018 11.495 642 2HG GLU 597 1HG GLU 597 10.018 2.103 10.836 643 H TYR 598 H TYR 598 7.510 4.960 8.821 644 HA TYR 598 HA TYR 598 9.917 4.859 7.428 645 1HB TYR 598 2HB TYR 598 8.442 3.067 6.182 646 2HB TYR 598 1HB TYR 598 7.619 4.477 5.536 647 HD1 TYR 598 HD1 TYR 598 10.390 6.146 5.762 648 HD2 TYR 598 HD2 TYR 598 9.098 2.502 3.829 649 HE1 TYR 598 HE1 TYR 598 12.124 6.429 3.995 650 HE2 TYR 598 HE2 TYR 598 10.846 2.784 2.124 651 HH TYR 598 HH TYR 598 13.371 5.091 2.417 652 H THR 599 H THR 599 10.019 7.011 7.940 653 HA THR 599 HA THR 599 8.066 8.736 6.529 654 HB THR 599 HB THR 599 8.946 8.952 9.327 655 HG1 THR 599 HG1 THR 599 6.915 9.512 9.604 656 1HG2 THR 599 3HG2 THR 599 9.324 11.151 7.601 657 2HG2 THR 599 2HG2 THR 599 7.969 11.474 8.663 658 3HG2 THR 599 1HG2 THR 599 9.538 11.058 9.336 659 H VAL 600 H VAL 600 11.085 7.541 6.790 660 HA VAL 600 HA VAL 600 13.007 7.893 5.681 661 HB VAL 600 HB VAL 600 12.007 10.229 4.186 662 1HG1 VAL 600 1HG1 VAL 600 13.598 7.814 3.910 663 2HG1 VAL 600 3HG1 VAL 600 12.538 8.098 2.537 664 3HG1 VAL 600 2HG1 VAL 600 13.705 9.337 3.012 665 1HG2 VAL 600 3HG2 VAL 600 10.397 7.739 4.497 666 2HG2 VAL 600 2HG2 VAL 600 9.883 9.362 4.048 667 3HG2 VAL 600 1HG2 VAL 600 10.637 8.315 2.847 668 HA PRO 601 HA PRO 601 14.633 11.216 8.185 669 1HB PRO 601 2HB PRO 601 17.265 10.491 7.884 670 2HB PRO 601 1HB PRO 601 16.153 9.688 9.007 671 1HG PRO 601 2HG PRO 601 17.210 8.713 6.397 672 2HG PRO 601 1HG PRO 601 16.629 7.785 7.790 673 1HD PRO 601 2HD PRO 601 15.186 8.290 5.399 674 2HD PRO 601 1HD PRO 601 14.524 7.621 6.905 675 H GLN 602 H GLN 602 16.944 12.553 7.691 676 HA GLN 602 HA GLN 602 16.328 14.046 5.260 677 1HB GLN 602 2HB GLN 602 18.276 14.308 7.518 678 2HB GLN 602 1HB GLN 602 18.621 15.165 6.015 679 1HG GLN 602 2HG GLN 602 16.380 16.211 6.104 680 2HG GLN 602 1HG GLN 602 16.060 15.377 7.625 681 1HE2 GLN 602 2HE2 GLN 602 17.325 18.734 8.559 682 2HE2 GLN 602 1HE2 GLN 602 15.940 18.106 7.805 683 H ALA 603 H ALA 603 19.616 13.115 6.199 684 HA ALA 603 HA ALA 603 21.334 12.129 4.942 685 1HB ALA 603 1HB ALA 603 18.998 10.543 4.548 686 2HB ALA 603 3HB ALA 603 19.813 10.682 2.990 687 3HB ALA 603 2HB ALA 603 20.683 10.048 4.387 688 H CYS 604 H CYS 604 22.087 11.899 2.537 689 HA CYS 604 HA CYS 604 20.783 13.880 0.758 690 1HB CYS 604 2HB CYS 604 22.382 15.248 1.966 691 2HB CYS 604 1HB CYS 604 23.660 14.061 1.702 692 H GLY 605 H GLY 605 20.374 11.694 -0.264 693 1HA GLY 605 2HA GLY 605 22.420 11.197 -2.301 694 2HA GLY 605 1HA GLY 605 22.161 9.843 -1.200 695 H THR 606 H THR 606 20.401 8.525 -1.547 696 HA THR 606 HA THR 606 18.782 9.079 -3.952 697 HB THR 606 HB THR 606 17.813 6.726 -3.038 698 HG1 THR 606 HG1 THR 606 20.495 6.505 -2.309 699 1HG2 THR 606 3HG2 THR 606 19.984 7.566 -4.828 700 2HG2 THR 606 2HG2 THR 606 20.142 5.903 -4.261 701 3HG2 THR 606 1HG2 THR 606 18.680 6.412 -5.106 702 H SER 607 H SER 607 16.382 8.787 -3.824 703 HA SER 607 HA SER 607 15.293 9.532 -1.144 704 1HB SER 607 2HB SER 607 13.749 11.107 -2.280 705 2HB SER 607 1HB SER 607 15.434 11.566 -2.512 706 HG SER 607 HG SER 607 14.136 11.576 -4.453 707 H THR 608 H THR 608 15.317 6.923 -2.277 708 HA THR 608 HA THR 608 12.426 6.360 -2.282 709 HB THR 608 HB THR 608 12.480 5.134 -4.429 710 HG1 THR 608 HG1 THR 608 14.519 5.956 -5.678 711 1HG2 THR 608 2HG2 THR 608 11.903 7.614 -4.293 712 2HG2 THR 608 1HG2 THR 608 13.530 7.930 -4.894 713 3HG2 THR 608 3HG2 THR 608 12.385 7.024 -5.884 714 H ALA 609 H ALA 609 12.036 4.253 -1.615 715 HA ALA 609 HA ALA 609 14.430 2.479 -1.332 716 1HB ALA 609 2HB ALA 609 13.977 3.771 0.804 717 2HB ALA 609 1HB ALA 609 12.440 2.912 0.908 718 3HB ALA 609 3HB ALA 609 13.958 2.016 0.976 719 H THR 610 H THR 610 12.994 0.513 0.210 720 HA THR 610 HA THR 610 10.965 -0.379 -1.808 721 HB THR 610 HB THR 610 11.681 -2.675 -1.402 722 HG1 THR 610 HG1 THR 610 13.492 -1.478 0.423 723 1HG2 THR 610 3HG2 THR 610 13.137 -0.812 -2.773 724 2HG2 THR 610 2HG2 THR 610 14.358 -1.467 -1.682 725 3HG2 THR 610 1HG2 THR 610 13.486 -2.541 -2.776 726 H VAL 611 H VAL 611 9.371 -1.870 -0.925 727 HA VAL 611 HA VAL 611 8.876 -1.764 1.969 728 HB VAL 611 HB VAL 611 6.700 -0.642 0.308 729 1HG1 VAL 611 3HG1 VAL 611 7.465 -0.699 3.063 730 2HG1 VAL 611 2HG1 VAL 611 7.393 0.997 2.539 731 3HG1 VAL 611 1HG1 VAL 611 5.971 -0.055 2.374 732 1HG2 VAL 611 1HG2 VAL 611 8.747 0.528 -0.539 733 2HG2 VAL 611 3HG2 VAL 611 7.517 1.587 0.177 734 3HG2 VAL 611 2HG2 VAL 611 8.965 1.145 1.108 735 H THR 612 H THR 612 9.122 -4.125 1.069 736 HA THR 612 HA THR 612 6.715 -5.026 -0.406 737 HB THR 612 HB THR 612 8.198 -7.262 -0.127 738 HG1 THR 612 HG1 THR 612 10.373 -6.341 -0.657 739 1HG2 THR 612 1HG2 THR 612 8.265 -5.064 -2.168 740 2HG2 THR 612 3HG2 THR 612 9.110 -6.596 -2.402 741 3HG2 THR 612 2HG2 THR 612 7.357 -6.578 -2.194 742 H ASP 613 H ASP 613 5.453 -6.728 0.183 743 HA ASP 613 HA ASP 613 5.829 -8.143 2.642 744 1HB ASP 613 2HB ASP 613 4.095 -5.757 2.605 745 2HB ASP 613 1HB ASP 613 3.325 -7.199 3.267 746 H THR 614 H THR 614 3.157 -9.040 3.015 747 HA THR 614 HA THR 614 1.966 -9.677 0.450 748 HB THR 614 HB THR 614 3.325 -11.391 -0.062 749 HG1 THR 614 HG1 THR 614 2.294 -13.150 0.470 750 1HG2 THR 614 3HG2 THR 614 4.157 -11.177 2.807 751 2HG2 THR 614 2HG2 THR 614 4.577 -12.634 1.906 752 3HG2 THR 614 1HG2 THR 614 5.134 -11.058 1.343 753 H TRP 615 H TRP 615 0.204 -11.224 0.667 754 HA TRP 615 HA TRP 615 -1.254 -10.576 3.128 755 1HB TRP 615 2HB TRP 615 -1.920 -10.850 0.357 756 2HB TRP 615 1HB TRP 615 -2.916 -11.960 1.295 757 HD1 TRP 615 HD1 TRP 615 -5.055 -10.537 1.256 758 HE1 TRP 615 HE1 TRP 615 -5.751 -8.369 2.495 759 HE3 TRP 615 HE3 TRP 615 -0.514 -8.872 2.493 760 HZ2 TRP 615 HZ2 TRP 615 -4.451 -6.165 3.803 761 HZ3 TRP 615 HZ3 TRP 615 -0.186 -6.760 3.688 762 HH2 TRP 615 HH2 TRP 615 -2.107 -5.404 4.326 763 H ARG 616 H ARG 616 -2.209 -12.058 4.471 764 HA ARG 616 HA ARG 616 -1.430 -14.920 4.008 765 1HB ARG 616 2HB ARG 616 -0.330 -13.436 5.950 766 2HB ARG 616 1HB ARG 616 -1.806 -13.912 6.791 767 1HG ARG 616 2HG ARG 616 0.022 -15.532 7.193 768 2HG ARG 616 1HG ARG 616 -1.322 -16.279 6.329 769 1HD ARG 616 2HD ARG 616 -0.159 -16.336 4.299 770 2HD ARG 616 1HD ARG 616 0.950 -15.055 4.787 771 HE ARG 616 HE ARG 616 2.318 -16.703 5.771 772 1HH1 ARG 616 1HH2 ARG 616 -0.888 -17.859 5.208 773 2HH1 ARG 616 2HH2 ARG 616 -0.524 -19.483 5.683 774 1HH2 ARG 616 1HH1 ARG 616 2.801 -18.816 6.403 775 2HH2 ARG 616 2HH1 ARG 616 1.561 -20.025 6.359 No H/Q in entry = 775
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