NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620201 | 5t42 | 30162 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 630 1HT GLY 630 8.776 -21.646 -0.571 2 H2 GLY 630 2HT GLY 630 7.399 -22.189 0.248 3 H3 GLY 630 3HT GLY 630 8.756 -23.191 0.120 4 HA2 GLY 630 HA2 GLY 630 8.224 -21.006 1.950 5 HA3 GLY 630 HA3 GLY 630 9.185 -22.457 2.188 6 H SER 631 H SER 631 9.217 -19.414 0.340 7 HA SER 631 HA SER 631 12.145 -19.407 0.536 8 HB2 SER 631 2HB SER 631 10.219 -18.438 -1.457 9 HB3 SER 631 1HB SER 631 11.504 -17.286 -1.091 10 HG SER 631 HG SER 631 12.681 -18.465 -2.359 11 H ASP 632 H ASP 632 9.335 -17.258 0.985 12 HA ASP 632 HA ASP 632 10.849 -15.872 3.058 13 HB2 ASP 632 2HB ASP 632 11.041 -14.497 1.051 14 HB3 ASP 632 1HB ASP 632 9.289 -14.466 0.910 15 H LYS 633 H LYS 633 7.834 -14.657 1.922 16 HA LYS 633 HA LYS 633 6.568 -14.613 4.369 17 HB2 LYS 633 2HB LYS 633 4.455 -14.366 3.079 18 HB3 LYS 633 1HB LYS 633 5.743 -13.308 2.518 19 HG2 LYS 633 2HG LYS 633 6.163 -15.368 0.880 20 HG3 LYS 633 1HG LYS 633 4.436 -15.590 1.172 21 HD2 LYS 633 2HD LYS 633 5.689 -12.997 0.278 22 HD3 LYS 633 1HD LYS 633 4.961 -14.176 -0.814 23 HE2 LYS 633 2HE LYS 633 3.089 -12.977 -0.507 24 HE3 LYS 633 1HE LYS 633 2.982 -13.856 1.017 25 HZ1 LYS 633 1HZ LYS 633 2.933 -11.213 0.859 26 HZ2 LYS 633 2HZ LYS 633 4.599 -11.439 1.037 27 HZ3 LYS 633 3HZ LYS 633 3.536 -12.040 2.206 28 H THR 634 H THR 634 6.484 -17.130 1.885 29 HA THR 634 HA THR 634 6.073 -19.193 3.706 30 HB THR 634 HB THR 634 3.611 -19.488 2.386 31 HG1 THR 634 1HG THR 634 3.491 -17.066 3.777 32 HG21 THR 634 1HG2 THR 634 3.245 -20.301 4.410 33 HG22 THR 634 2HG2 THR 634 2.987 -18.638 4.940 34 HG23 THR 634 3HG2 THR 634 4.580 -19.378 5.101 35 H LEU 635 H LEU 635 6.085 -18.030 0.565 36 HA LEU 635 HA LEU 635 7.471 -20.129 -0.537 37 HB2 LEU 635 2HB LEU 635 5.537 -21.517 -0.287 38 HB3 LEU 635 1HB LEU 635 4.520 -20.320 -1.058 39 HG LEU 635 HG LEU 635 5.216 -22.388 -2.420 40 HD11 LEU 635 1HD1 LEU 635 4.896 -21.228 -4.368 41 HD12 LEU 635 2HD1 LEU 635 5.916 -19.880 -3.865 42 HD13 LEU 635 3HD1 LEU 635 4.296 -20.060 -3.191 43 HD21 LEU 635 1HD2 LEU 635 7.369 -22.070 -3.640 44 HD22 LEU 635 2HD2 LEU 635 7.558 -22.450 -1.929 45 HD23 LEU 635 3HD2 LEU 635 7.776 -20.792 -2.493 46 HA PRO 636 HA PRO 636 5.814 -17.404 -4.186 47 HB2 PRO 636 2HB PRO 636 4.397 -15.191 -3.252 48 HB3 PRO 636 1HB PRO 636 3.692 -16.605 -4.037 49 HG2 PRO 636 2HG PRO 636 3.824 -15.905 -1.158 50 HG3 PRO 636 1HG PRO 636 2.588 -16.814 -2.043 51 HD2 PRO 636 2HD PRO 636 4.419 -17.982 -0.412 52 HD3 PRO 636 1HD PRO 636 3.724 -18.804 -1.814 53 H ASP 637 H ASP 637 6.754 -16.419 -1.031 54 HA ASP 637 HA ASP 637 8.027 -14.659 -0.252 55 HB2 ASP 637 2HB ASP 637 10.272 -15.195 -0.640 56 HB3 ASP 637 1HB ASP 637 9.403 -16.699 -0.914 57 H GLN 638 H GLN 638 6.341 -13.588 -2.124 58 HA GLN 638 HA GLN 638 6.031 -11.880 -3.617 59 HB2 GLN 638 2HB GLN 638 7.234 -9.818 -2.998 60 HB3 GLN 638 1HB GLN 638 6.564 -10.652 -1.603 61 HG2 GLN 638 2HG GLN 638 8.687 -11.439 -0.933 62 HG3 GLN 638 1HG GLN 638 9.422 -10.963 -2.463 63 HE21 GLN 638 1HE2 GLN 638 10.706 -9.294 -2.217 64 HE22 GLN 638 2HE2 GLN 638 10.435 -7.936 -1.184 65 H GLY 639 H GLY 639 7.243 -13.713 -5.023 66 HA2 GLY 639 2HA GLY 639 9.260 -12.216 -6.569 67 HA3 GLY 639 1HA GLY 639 9.506 -13.913 -6.187 68 H ASP 640 H ASP 640 7.002 -14.957 -6.615 69 HA ASP 640 HA ASP 640 6.787 -14.689 -9.525 70 HB2 ASP 640 2HB ASP 640 5.662 -16.849 -7.730 71 HB3 ASP 640 1HB ASP 640 5.700 -16.865 -9.490 72 H ASN 641 H ASN 641 5.018 -14.212 -6.577 73 HA ASN 641 HA ASN 641 2.884 -12.937 -8.075 74 HB2 ASN 641 2HB ASN 641 2.468 -15.511 -7.353 75 HB3 ASN 641 1HB ASN 641 1.904 -14.691 -5.901 76 HD21 ASN 641 1HD2 ASN 641 0.787 -16.056 -8.527 77 HD22 ASN 641 2HD2 ASN 641 -0.572 -15.053 -8.889 78 H ASP 642 H ASP 642 4.259 -11.220 -7.020 79 HA ASP 642 HA ASP 642 3.718 -10.854 -4.173 80 HB2 ASP 642 2HB ASP 642 5.324 -9.018 -4.298 81 HB3 ASP 642 1HB ASP 642 6.012 -10.480 -4.996 82 H ASN 643 H ASN 643 2.789 -9.627 -7.279 83 HA ASN 643 HA ASN 643 1.694 -7.158 -6.470 84 HB2 ASN 643 2HB ASN 643 0.413 -7.349 -8.639 85 HB3 ASN 643 1HB ASN 643 2.163 -7.471 -8.775 86 HD21 ASN 643 1HD2 ASN 643 1.279 -8.407 -10.879 87 HD22 ASN 643 2HD2 ASN 643 1.066 -10.121 -10.910 88 H TRP 644 H TRP 644 0.528 -10.390 -6.155 89 HA TRP 644 HA TRP 644 -2.200 -10.154 -6.246 90 HB2 TRP 644 2HB TRP 644 -2.329 -12.028 -4.745 91 HB3 TRP 644 1HB TRP 644 -0.910 -12.248 -5.764 92 HD1 TRP 644 HD TRP 644 1.256 -10.641 -4.282 93 HE1 TRP 644 1HE TRP 644 2.078 -11.330 -1.940 94 HE3 TRP 644 3HE TRP 644 -2.768 -13.415 -2.802 95 HZ2 TRP 644 2HZ TRP 644 1.135 -12.849 0.248 96 HZ3 TRP 644 3HZ TRP 644 -2.733 -14.450 -0.571 97 HH2 TRP 644 HH TRP 644 -0.820 -14.173 0.921 98 H TRP 645 H TRP 645 -0.031 -8.887 -3.826 99 HA TRP 645 HA TRP 645 -2.317 -7.565 -2.554 100 HB2 TRP 645 2HB TRP 645 -1.488 -9.625 -1.263 101 HB3 TRP 645 1HB TRP 645 -0.050 -8.671 -0.910 102 HD1 TRP 645 HD TRP 645 -3.852 -8.656 -0.261 103 HE1 TRP 645 1HE TRP 645 -4.300 -7.283 1.869 104 HE3 TRP 645 3HE TRP 645 0.883 -6.934 0.605 105 HZ2 TRP 645 2HZ TRP 645 -2.839 -5.682 3.677 106 HZ3 TRP 645 3HZ TRP 645 1.273 -5.486 2.555 107 HH2 TRP 645 HH TRP 645 -0.551 -4.874 4.059 108 H THR 646 H THR 646 0.163 -6.920 -4.351 109 HA THR 646 HA THR 646 0.615 -4.344 -3.144 110 HB THR 646 HB THR 646 2.306 -5.957 -2.104 111 HG1 THR 646 1HG THR 646 3.382 -3.751 -3.515 112 HG21 THR 646 1HG2 THR 646 4.264 -5.612 -4.153 113 HG22 THR 646 2HG2 THR 646 2.903 -6.543 -4.778 114 HG23 THR 646 3HG2 THR 646 3.751 -7.085 -3.330 115 H GLY 647 H GLY 647 -0.434 -5.583 -5.658 116 HA2 GLY 647 2HA GLY 647 1.057 -3.843 -7.487 117 HA3 GLY 647 1HA GLY 647 0.838 -5.527 -7.939 118 H TRP 648 H TRP 648 -1.215 -6.273 -8.514 119 HA TRP 648 HA TRP 648 -2.894 -4.315 -9.734 120 HB2 TRP 648 2HB TRP 648 -4.279 -6.242 -10.408 121 HB3 TRP 648 1HB TRP 648 -2.576 -6.493 -10.776 122 HD1 TRP 648 HD TRP 648 -1.497 -8.652 -9.868 123 HE1 TRP 648 1HE TRP 648 -2.261 -10.548 -8.305 124 HE3 TRP 648 3HE TRP 648 -5.878 -6.614 -8.199 125 HZ2 TRP 648 2HZ TRP 648 -4.433 -11.107 -6.591 126 HZ3 TRP 648 3HZ TRP 648 -7.240 -7.893 -6.599 127 HH2 TRP 648 HH TRP 648 -6.531 -10.094 -5.813 128 H ARG 649 H ARG 649 -2.825 -5.823 -6.654 129 HA ARG 649 HA ARG 649 -5.615 -5.357 -6.070 130 HB2 ARG 649 2HB ARG 649 -4.363 -7.322 -5.160 131 HB3 ARG 649 1HB ARG 649 -3.394 -6.207 -4.208 132 HG2 ARG 649 2HG ARG 649 -5.874 -5.440 -3.474 133 HG3 ARG 649 1HG ARG 649 -6.145 -7.154 -3.795 134 HD2 ARG 649 2HD ARG 649 -4.683 -7.831 -2.140 135 HD3 ARG 649 1HD ARG 649 -3.794 -6.310 -2.160 136 HE ARG 649 HE ARG 649 -6.177 -6.916 -0.653 137 HH11 ARG 649 1HH1 ARG 649 -4.161 -4.387 -1.968 138 HH12 ARG 649 2HH1 ARG 649 -4.706 -3.194 -0.838 139 HH21 ARG 649 1HH2 ARG 649 -6.894 -5.347 0.834 140 HH22 ARG 649 2HH2 ARG 649 -6.258 -3.738 0.753 141 H GLN 650 H GLN 650 -2.694 -3.646 -5.991 142 HA GLN 650 HA GLN 650 -3.171 -1.985 -3.761 143 HB2 GLN 650 2HB GLN 650 -1.252 -2.103 -5.983 144 HB3 GLN 650 1HB GLN 650 -1.568 -0.480 -5.388 145 HG2 GLN 650 2HG GLN 650 -1.042 -2.547 -3.350 146 HG3 GLN 650 1HG GLN 650 0.313 -2.082 -4.377 147 HE21 GLN 650 1HE2 GLN 650 0.567 0.343 -4.621 148 HE22 GLN 650 2HE2 GLN 650 0.398 1.282 -3.180 149 H TRP 651 H TRP 651 -4.326 -2.009 -7.013 150 HA TRP 651 HA TRP 651 -6.130 0.157 -6.452 151 HB2 TRP 651 2HB TRP 651 -5.419 1.515 -8.422 152 HB3 TRP 651 1HB TRP 651 -4.232 1.481 -7.123 153 HD1 TRP 651 HD TRP 651 -2.279 -0.618 -7.566 154 HE1 TRP 651 1HE TRP 651 -0.995 -1.035 -9.757 155 HE3 TRP 651 3HE TRP 651 -5.419 1.775 -10.816 156 HZ2 TRP 651 2HZ TRP 651 -1.275 -0.428 -12.500 157 HZ3 TRP 651 3HZ TRP 651 -4.838 1.811 -13.206 158 HH2 TRP 651 HH TRP 651 -2.808 0.732 -14.030 159 H ILE 652 H ILE 652 -7.051 -2.212 -6.831 160 HA ILE 652 HA ILE 652 -7.360 -3.110 -9.501 161 HB ILE 652 HB ILE 652 -9.544 -3.666 -7.554 162 HG12 ILE 652 2HG1 ILE 652 -7.653 -5.586 -6.921 163 HG13 ILE 652 1HG1 ILE 652 -6.713 -4.100 -6.972 164 HG21 ILE 652 1HG2 ILE 652 -8.755 -6.039 -8.528 165 HG22 ILE 652 2HG2 ILE 652 -8.197 -4.979 -9.823 166 HG23 ILE 652 3HG2 ILE 652 -9.897 -4.977 -9.353 167 HD11 ILE 652 1HD1 ILE 652 -7.596 -3.346 -5.072 168 HD12 ILE 652 2HD1 ILE 652 -8.108 -5.016 -4.824 169 HD13 ILE 652 3HD1 ILE 652 -9.227 -3.844 -5.520 170 HA PRO 653 HA PRO 653 -11.427 -0.668 -9.540 171 HB2 PRO 653 2HB PRO 653 -12.146 0.778 -7.350 172 HB3 PRO 653 1HB PRO 653 -12.513 -0.936 -7.550 173 HG2 PRO 653 2HG PRO 653 -10.613 0.351 -5.741 174 HG3 PRO 653 1HG PRO 653 -11.261 -1.293 -5.697 175 HD2 PRO 653 2HD PRO 653 -8.700 -0.380 -6.675 176 HD3 PRO 653 1HD PRO 653 -9.294 -2.042 -6.501 177 H ALA 654 H ALA 654 -10.126 1.646 -7.189 178 HA ALA 654 HA ALA 654 -8.592 3.286 -8.738 179 HB1 ALA 654 1HB ALA 654 -10.350 5.108 -9.273 180 HB2 ALA 654 2HB ALA 654 -11.509 3.782 -9.191 181 HB3 ALA 654 3HB ALA 654 -10.191 3.729 -10.360 182 H GLY 655 H GLY 655 -7.709 3.524 -6.672 183 HA2 GLY 655 2HA GLY 655 -7.361 5.254 -5.051 184 HA3 GLY 655 1HA GLY 655 -9.095 5.533 -5.028 185 H ILE 656 H ILE 656 -7.171 2.568 -4.697 186 HA ILE 656 HA ILE 656 -8.495 2.109 -2.104 187 HB ILE 656 HB ILE 656 -9.035 0.503 -3.952 188 HG12 ILE 656 2HG1 ILE 656 -8.599 -1.545 -2.525 189 HG13 ILE 656 1HG1 ILE 656 -7.683 -0.500 -1.443 190 HG21 ILE 656 1HG2 ILE 656 -7.475 -0.749 -5.001 191 HG22 ILE 656 2HG2 ILE 656 -6.438 -0.841 -3.576 192 HG23 ILE 656 3HG2 ILE 656 -6.446 0.617 -4.568 193 HD11 ILE 656 1HD1 ILE 656 -10.358 0.492 -2.058 194 HD12 ILE 656 2HD1 ILE 656 -9.528 0.337 -0.510 195 HD13 ILE 656 3HD1 ILE 656 -10.334 -1.061 -1.222 196 H GLY 657 H GLY 657 -5.455 2.030 -3.876 197 HA2 GLY 657 2HA GLY 657 -4.049 1.796 -1.295 198 HA3 GLY 657 1HA GLY 657 -3.520 0.879 -2.699 199 H VAL 658 H VAL 658 -3.722 2.683 -4.713 200 HA VAL 658 HA VAL 658 -1.410 4.291 -4.311 201 HB VAL 658 HB VAL 658 -2.085 3.286 -6.504 202 HG11 VAL 658 1HG1 VAL 658 -4.490 3.827 -6.340 203 HG12 VAL 658 2HG1 VAL 658 -3.771 4.345 -7.864 204 HG13 VAL 658 3HG1 VAL 658 -4.098 5.527 -6.598 205 HG21 VAL 658 1HG2 VAL 658 -0.454 4.786 -6.953 206 HG22 VAL 658 2HG2 VAL 658 -1.268 6.090 -6.088 207 HG23 VAL 658 3HG2 VAL 658 -1.774 5.666 -7.724 208 H THR 659 H THR 659 -4.856 4.930 -4.589 209 HA THR 659 HA THR 659 -4.388 7.629 -3.518 210 HB THR 659 HB THR 659 -6.471 6.681 -5.489 211 HG1 THR 659 1HG THR 659 -5.459 7.981 -6.853 212 HG21 THR 659 1HG2 THR 659 -7.496 8.841 -5.442 213 HG22 THR 659 2HG2 THR 659 -6.356 9.403 -4.219 214 HG23 THR 659 3HG2 THR 659 -7.539 8.159 -3.815 215 H GLY 660 H GLY 660 -5.810 4.568 -3.072 216 HA2 GLY 660 2HA GLY 660 -7.902 5.433 -1.280 217 HA3 GLY 660 1HA GLY 660 -7.426 3.776 -1.626 218 H VAL 661 H VAL 661 -4.842 3.657 -0.938 219 HA VAL 661 HA VAL 661 -4.962 3.798 1.948 220 HB VAL 661 HB VAL 661 -2.923 2.651 0.043 221 HG11 VAL 661 1HG1 VAL 661 -1.803 1.730 2.080 222 HG12 VAL 661 2HG1 VAL 661 -2.786 2.831 3.047 223 HG13 VAL 661 3HG1 VAL 661 -1.634 3.474 1.877 224 HG21 VAL 661 1HG2 VAL 661 -4.075 0.924 2.079 225 HG22 VAL 661 2HG2 VAL 661 -3.974 0.702 0.333 226 HG23 VAL 661 3HG2 VAL 661 -5.295 1.641 1.028 227 H VAL 662 H VAL 662 -2.555 4.815 -0.464 228 HA VAL 662 HA VAL 662 -0.869 6.323 0.997 229 HB VAL 662 HB VAL 662 -1.962 6.839 -1.750 230 HG11 VAL 662 1HG1 VAL 662 -1.204 8.988 -0.933 231 HG12 VAL 662 2HG1 VAL 662 -0.033 8.367 -2.097 232 HG13 VAL 662 3HG1 VAL 662 0.308 8.277 -0.368 233 HG21 VAL 662 1HG2 VAL 662 -0.191 5.635 -2.547 234 HG22 VAL 662 2HG2 VAL 662 -0.432 4.828 -0.997 235 HG23 VAL 662 3HG2 VAL 662 0.842 6.034 -1.174 236 H ILE 663 H ILE 663 -4.105 7.218 0.040 237 HA ILE 663 HA ILE 663 -3.863 9.952 0.834 238 HB ILE 663 HB ILE 663 -5.506 8.763 -0.828 239 HG12 ILE 663 2HG1 ILE 663 -6.594 11.005 0.868 240 HG13 ILE 663 1HG1 ILE 663 -5.233 11.235 -0.225 241 HG21 ILE 663 1HG2 ILE 663 -6.523 7.432 1.081 242 HG22 ILE 663 2HG2 ILE 663 -7.645 8.233 -0.020 243 HG23 ILE 663 3HG2 ILE 663 -7.312 8.934 1.565 244 HD11 ILE 663 1HD1 ILE 663 -7.024 11.923 -1.495 245 HD12 ILE 663 2HD1 ILE 663 -8.092 10.672 -0.858 246 HD13 ILE 663 3HD1 ILE 663 -6.825 10.248 -2.010 247 H ALA 664 H ALA 664 -5.072 7.005 2.337 248 HA ALA 664 HA ALA 664 -6.053 8.391 4.670 249 HB1 ALA 664 1HB ALA 664 -6.029 5.601 3.697 250 HB2 ALA 664 2HB ALA 664 -7.328 6.536 4.438 251 HB3 ALA 664 3HB ALA 664 -6.065 5.829 5.445 252 H VAL 665 H VAL 665 -3.093 6.901 3.651 253 HA VAL 665 HA VAL 665 -2.041 6.652 6.340 254 HB VAL 665 HB VAL 665 -0.060 5.761 5.363 255 HG11 VAL 665 1HG1 VAL 665 -2.025 4.685 3.414 256 HG12 VAL 665 2HG1 VAL 665 -2.397 4.537 5.133 257 HG13 VAL 665 3HG1 VAL 665 -0.913 3.835 4.488 258 HG21 VAL 665 1HG2 VAL 665 -1.070 6.932 2.781 259 HG22 VAL 665 2HG2 VAL 665 0.211 5.722 2.847 260 HG23 VAL 665 3HG2 VAL 665 0.438 7.290 3.624 261 H ILE 666 H ILE 666 -1.567 8.674 3.500 262 HA ILE 666 HA ILE 666 0.491 10.293 4.557 263 HB ILE 666 HB ILE 666 -1.497 10.673 2.331 264 HG12 ILE 666 2HG1 ILE 666 0.334 8.975 2.092 265 HG13 ILE 666 1HG1 ILE 666 0.373 10.246 0.875 266 HG21 ILE 666 1HG2 ILE 666 -1.047 12.887 3.016 267 HG22 ILE 666 2HG2 ILE 666 -0.008 12.592 1.622 268 HG23 ILE 666 3HG2 ILE 666 0.667 12.548 3.250 269 HD11 ILE 666 1HD1 ILE 666 2.535 9.421 2.184 270 HD12 ILE 666 2HD1 ILE 666 2.000 10.676 3.301 271 HD13 ILE 666 3HD1 ILE 666 2.336 11.079 1.618 272 H ALA 667 H ALA 667 -3.019 10.485 4.564 273 HA ALA 667 HA ALA 667 -3.600 13.018 5.273 274 HB1 ALA 667 1HB ALA 667 -4.886 11.015 7.009 275 HB2 ALA 667 2HB ALA 667 -4.981 10.715 5.272 276 HB3 ALA 667 3HB ALA 667 -5.601 12.225 5.942 277 H LEU 668 H LEU 668 -2.062 10.614 7.320 278 HA LEU 668 HA LEU 668 -2.080 12.326 9.641 279 HB2 LEU 668 2HB LEU 668 -2.308 9.941 9.948 280 HB3 LEU 668 1HB LEU 668 -0.814 9.650 9.075 281 HG LEU 668 HG LEU 668 0.517 10.374 10.842 282 HD11 LEU 668 1HD1 LEU 668 -1.917 11.670 12.063 283 HD12 LEU 668 2HD1 LEU 668 -0.629 12.511 11.200 284 HD13 LEU 668 3HD1 LEU 668 -0.282 11.693 12.727 285 HD21 LEU 668 1HD2 LEU 668 0.054 8.755 12.314 286 HD22 LEU 668 2HD2 LEU 668 -1.326 8.403 11.272 287 HD23 LEU 668 3HD2 LEU 668 -1.533 9.425 12.695 288 H PHE 669 H PHE 669 0.512 10.703 7.805 289 HA PHE 669 HA PHE 669 2.664 12.104 8.818 290 HB2 PHE 669 2HB PHE 669 2.243 10.219 6.792 291 HB3 PHE 669 1HB PHE 669 3.018 11.580 5.987 292 HD1 PHE 669 1HD PHE 669 5.093 12.569 7.318 293 HD2 PHE 669 2HD PHE 669 3.585 8.609 7.713 294 HE1 PHE 669 1HE PHE 669 7.279 11.825 8.167 295 HE2 PHE 669 2HE PHE 669 5.768 7.858 8.564 296 HZ PHE 669 HZ PHE 669 7.618 9.467 8.792 297 H ALA 670 H ALA 670 0.287 13.102 6.518 298 HA ALA 670 HA ALA 670 1.714 15.279 5.391 299 HB1 ALA 670 1HB ALA 670 -1.279 15.072 5.573 300 HB2 ALA 670 2HB ALA 670 -0.335 14.099 4.442 301 HB3 ALA 670 3HB ALA 670 -0.305 15.861 4.332 302 H ILE 671 H ILE 671 -0.019 14.826 8.366 303 HA ILE 671 HA ILE 671 -0.341 17.662 8.838 304 HB ILE 671 HB ILE 671 -0.765 15.410 10.785 305 HG12 ILE 671 2HG1 ILE 671 -3.010 16.724 9.304 306 HG13 ILE 671 1HG1 ILE 671 -2.101 15.441 8.511 307 HG21 ILE 671 1HG2 ILE 671 -1.575 18.295 10.727 308 HG22 ILE 671 2HG2 ILE 671 -0.663 17.430 11.964 309 HG23 ILE 671 3HG2 ILE 671 -2.385 17.113 11.754 310 HD11 ILE 671 1HD1 ILE 671 -3.743 15.279 11.015 311 HD12 ILE 671 2HD1 ILE 671 -2.600 14.022 10.541 312 HD13 ILE 671 3HD1 ILE 671 -3.966 14.412 9.496 313 H ALA 672 H ALA 672 1.735 15.049 9.809 314 HA ALA 672 HA ALA 672 3.081 16.290 11.932 315 HB1 ALA 672 1HB ALA 672 4.925 14.667 11.257 316 HB2 ALA 672 2HB ALA 672 3.822 14.145 9.982 317 HB3 ALA 672 3HB ALA 672 3.354 13.982 11.674 318 H LYS 673 H LYS 673 3.450 16.463 8.476 319 HA LYS 673 HA LYS 673 5.865 18.061 8.686 320 HB2 LYS 673 2HB LYS 673 5.434 18.145 6.078 321 HB3 LYS 673 1HB LYS 673 6.144 16.732 6.841 322 HG2 LYS 673 2HG LYS 673 4.434 15.429 6.265 323 HG3 LYS 673 1HG LYS 673 3.239 16.622 6.773 324 HD2 LYS 673 2HD LYS 673 2.785 16.850 4.600 325 HD3 LYS 673 1HD LYS 673 4.291 17.764 4.516 326 HE2 LYS 673 2HE LYS 673 5.358 16.136 3.392 327 HE3 LYS 673 1HE LYS 673 4.628 14.857 4.360 328 HZ1 LYS 673 1HZ LYS 673 2.521 15.641 2.967 329 HZ2 LYS 673 2HZ LYS 673 3.581 14.441 2.422 330 HZ3 LYS 673 3HZ LYS 673 3.733 16.026 1.851 331 H PHE 674 H PHE 674 2.493 18.493 8.510 332 HA PHE 674 HA PHE 674 2.644 21.169 7.386 333 HB2 PHE 674 2HB PHE 674 0.755 19.509 6.958 334 HB3 PHE 674 1HB PHE 674 0.230 19.843 8.604 335 HD1 PHE 674 1HD PHE 674 -0.209 22.318 9.195 336 HD2 PHE 674 2HD PHE 674 0.012 20.832 5.214 337 HE1 PHE 674 1HE PHE 674 -1.465 24.278 8.398 338 HE2 PHE 674 2HE PHE 674 -1.241 22.790 4.409 339 HZ PHE 674 HZ PHE 674 -1.982 24.516 6.002 340 H VAL 675 H VAL 675 2.179 19.590 10.491 341 HA VAL 675 HA VAL 675 1.804 22.183 11.799 342 HB VAL 675 HB VAL 675 1.712 19.433 13.039 343 HG11 VAL 675 1HG1 VAL 675 0.144 21.368 14.407 344 HG12 VAL 675 2HG1 VAL 675 1.759 22.034 14.169 345 HG13 VAL 675 3HG1 VAL 675 1.556 20.485 14.986 346 HG21 VAL 675 1HG2 VAL 675 -0.812 19.972 13.033 347 HG22 VAL 675 2HG2 VAL 675 -0.066 19.391 11.544 348 HG23 VAL 675 3HG2 VAL 675 -0.406 21.110 11.748 349 H PHE 676 H PHE 676 4.231 19.840 11.195 350 HA PHE 676 HA PHE 676 6.008 21.230 13.092 351 HB2 PHE 676 2HB PHE 676 6.400 18.333 12.384 352 HB3 PHE 676 1HB PHE 676 7.077 19.236 13.731 353 HD1 PHE 676 1HD PHE 676 3.768 18.150 12.392 354 HD2 PHE 676 2HD PHE 676 6.167 18.948 15.815 355 HE1 PHE 676 1HE PHE 676 1.960 17.329 13.846 356 HE2 PHE 676 2HE PHE 676 4.362 18.133 17.275 357 HZ PHE 676 HZ PHE 676 2.256 17.321 16.291 Start of MODEL 2 1 H1 GLY 630 1HT GLY 630 9.606 -20.364 2.948 2 H2 GLY 630 2HT GLY 630 8.249 -20.325 1.940 3 H3 GLY 630 3HT GLY 630 8.077 -20.731 3.572 4 HA2 GLY 630 HA2 GLY 630 7.484 -18.349 2.752 5 HA3 GLY 630 HA3 GLY 630 8.267 -18.597 4.305 6 H SER 631 H SER 631 8.528 -17.236 1.169 7 HA SER 631 HA SER 631 11.366 -16.726 1.347 8 HB2 SER 631 2HB SER 631 9.308 -16.523 -0.695 9 HB3 SER 631 1HB SER 631 10.331 -15.086 -0.660 10 HG SER 631 HG SER 631 10.919 -17.267 -1.845 11 H ASP 632 H ASP 632 8.366 -14.843 1.621 12 HA ASP 632 HA ASP 632 9.871 -12.843 3.118 13 HB2 ASP 632 2HB ASP 632 9.642 -12.014 0.808 14 HB3 ASP 632 1HB ASP 632 7.896 -12.130 0.969 15 H LYS 633 H LYS 633 6.627 -12.238 2.147 16 HA LYS 633 HA LYS 633 5.628 -11.766 4.664 17 HB2 LYS 633 2HB LYS 633 3.350 -12.260 3.562 18 HB3 LYS 633 1HB LYS 633 4.327 -10.951 2.911 19 HG2 LYS 633 2HG LYS 633 5.065 -13.299 1.529 20 HG3 LYS 633 1HG LYS 633 3.302 -13.258 1.591 21 HD2 LYS 633 2HD LYS 633 3.915 -10.664 0.979 22 HD3 LYS 633 1HD LYS 633 5.176 -11.552 0.122 23 HE2 LYS 633 2HE LYS 633 3.277 -11.250 -1.334 24 HE3 LYS 633 1HE LYS 633 3.431 -12.956 -0.918 25 HZ1 LYS 633 1HZ LYS 633 1.134 -11.720 -0.796 26 HZ2 LYS 633 2HZ LYS 633 1.691 -11.287 0.742 27 HZ3 LYS 633 3HZ LYS 633 1.540 -12.918 0.327 28 H THR 634 H THR 634 5.554 -14.800 2.824 29 HA THR 634 HA THR 634 5.641 -16.404 5.091 30 HB THR 634 HB THR 634 3.062 -17.193 4.310 31 HG1 THR 634 1HG THR 634 1.880 -15.308 4.661 32 HG21 THR 634 1HG2 THR 634 2.523 -17.049 6.515 33 HG22 THR 634 2HG2 THR 634 3.432 -15.556 6.756 34 HG23 THR 634 3HG2 THR 634 4.282 -17.096 6.628 35 H LEU 635 H LEU 635 5.124 -16.026 1.810 36 HA LEU 635 HA LEU 635 6.521 -18.270 1.041 37 HB2 LEU 635 2HB LEU 635 4.723 -19.626 1.862 38 HB3 LEU 635 1HB LEU 635 3.549 -18.691 0.965 39 HG LEU 635 HG LEU 635 4.226 -21.002 0.057 40 HD11 LEU 635 1HD1 LEU 635 4.560 -18.867 -1.999 41 HD12 LEU 635 2HD1 LEU 635 3.038 -19.007 -1.120 42 HD13 LEU 635 3HD1 LEU 635 3.634 -20.366 -2.072 43 HD21 LEU 635 1HD2 LEU 635 6.632 -19.369 -0.746 44 HD22 LEU 635 2HD2 LEU 635 6.194 -20.922 -1.461 45 HD23 LEU 635 3HD2 LEU 635 6.613 -20.826 0.250 46 HA PRO 636 HA PRO 636 4.315 -16.536 -2.893 47 HB2 PRO 636 2HB PRO 636 2.773 -14.293 -2.365 48 HB3 PRO 636 1HB PRO 636 2.133 -15.912 -2.652 49 HG2 PRO 636 2HG PRO 636 2.559 -14.468 -0.086 50 HG3 PRO 636 1HG PRO 636 1.277 -15.603 -0.539 51 HD2 PRO 636 2HD PRO 636 3.353 -16.288 1.059 52 HD3 PRO 636 1HD PRO 636 2.569 -17.448 -0.022 53 H ASP 637 H ASP 637 5.419 -14.803 -0.141 54 HA ASP 637 HA ASP 637 6.641 -12.888 0.140 55 HB2 ASP 637 2HB ASP 637 8.840 -13.363 -0.390 56 HB3 ASP 637 1HB ASP 637 8.098 -14.950 -0.562 57 H GLN 638 H GLN 638 8.431 -11.605 -1.651 58 HA GLN 638 HA GLN 638 6.477 -10.172 -3.311 59 HB2 GLN 638 2HB GLN 638 7.996 -8.242 -3.126 60 HB3 GLN 638 1HB GLN 638 7.448 -8.814 -1.555 61 HG2 GLN 638 2HG GLN 638 9.513 -9.285 -0.876 62 HG3 GLN 638 1HG GLN 638 9.944 -10.043 -2.407 63 HE21 GLN 638 1HE2 GLN 638 10.756 -7.639 -0.396 64 HE22 GLN 638 2HE2 GLN 638 11.449 -6.518 -1.513 65 H GLY 639 H GLY 639 6.794 -11.820 -4.963 66 HA2 GLY 639 2HA GLY 639 8.495 -10.954 -7.019 67 HA3 GLY 639 1HA GLY 639 9.258 -12.320 -6.219 68 H ASP 640 H ASP 640 6.791 -13.678 -5.581 69 HA ASP 640 HA ASP 640 6.345 -14.914 -8.164 70 HB2 ASP 640 2HB ASP 640 6.231 -15.750 -5.422 71 HB3 ASP 640 1HB ASP 640 4.689 -16.104 -6.194 72 H ASN 641 H ASN 641 4.656 -12.847 -5.921 73 HA ASN 641 HA ASN 641 2.742 -12.073 -7.843 74 HB2 ASN 641 2HB ASN 641 2.092 -14.482 -6.610 75 HB3 ASN 641 1HB ASN 641 1.135 -13.286 -5.742 76 HD21 ASN 641 1HD2 ASN 641 1.539 -15.045 -8.637 77 HD22 ASN 641 2HD2 ASN 641 0.179 -14.402 -9.488 78 H ASP 642 H ASP 642 4.488 -10.707 -6.164 79 HA ASP 642 HA ASP 642 3.440 -9.766 -3.763 80 HB2 ASP 642 2HB ASP 642 5.742 -9.338 -5.031 81 HB3 ASP 642 1HB ASP 642 4.916 -7.859 -5.514 82 H ASN 643 H ASN 643 2.469 -9.115 -7.002 83 HA ASN 643 HA ASN 643 1.350 -6.601 -6.866 84 HB2 ASN 643 2HB ASN 643 0.571 -9.070 -8.392 85 HB3 ASN 643 1HB ASN 643 -0.329 -7.566 -8.568 86 HD21 ASN 643 1HD2 ASN 643 0.984 -8.779 -10.679 87 HD22 ASN 643 2HD2 ASN 643 2.298 -7.774 -11.176 88 H TRP 644 H TRP 644 0.311 -9.452 -5.231 89 HA TRP 644 HA TRP 644 -2.398 -9.164 -4.973 90 HB2 TRP 644 2HB TRP 644 -2.250 -10.375 -2.915 91 HB3 TRP 644 1HB TRP 644 -0.965 -10.971 -3.960 92 HD1 TRP 644 HD TRP 644 1.566 -9.994 -3.385 93 HE1 TRP 644 1HE TRP 644 2.598 -9.419 -1.096 94 HE3 TRP 644 3HE TRP 644 -2.729 -9.538 -0.652 95 HZ2 TRP 644 2HZ TRP 644 1.705 -8.840 1.520 96 HZ3 TRP 644 3HZ TRP 644 -2.555 -8.969 1.736 97 HH2 TRP 644 HH TRP 644 -0.383 -8.629 2.798 98 H TRP 645 H TRP 645 0.094 -7.166 -3.607 99 HA TRP 645 HA TRP 645 -1.911 -5.259 -2.732 100 HB2 TRP 645 2HB TRP 645 -1.019 -6.976 -0.842 101 HB3 TRP 645 1HB TRP 645 0.208 -5.719 -0.715 102 HD1 TRP 645 HD TRP 645 -3.682 -5.794 -0.853 103 HE1 TRP 645 1HE TRP 645 -4.559 -4.089 0.864 104 HE3 TRP 645 3HE TRP 645 0.787 -4.011 0.876 105 HZ2 TRP 645 2HZ TRP 645 -3.497 -2.233 2.708 106 HZ3 TRP 645 3HZ TRP 645 0.769 -2.271 2.617 107 HH2 TRP 645 HH TRP 645 -1.330 -1.402 3.512 108 H THR 646 H THR 646 0.279 -5.501 -4.762 109 HA THR 646 HA THR 646 1.378 -2.866 -4.350 110 HB THR 646 HB THR 646 2.949 -4.457 -3.166 111 HG1 THR 646 1HG THR 646 4.087 -3.091 -5.370 112 HG21 THR 646 1HG2 THR 646 3.761 -6.244 -4.164 113 HG22 THR 646 2HG2 THR 646 4.470 -5.235 -5.424 114 HG23 THR 646 3HG2 THR 646 2.833 -5.865 -5.614 115 H GLY 647 H GLY 647 -0.297 -4.507 -6.293 116 HA2 GLY 647 2HA GLY 647 0.985 -3.438 -8.687 117 HA3 GLY 647 1HA GLY 647 0.680 -5.168 -8.663 118 H TRP 648 H TRP 648 -1.028 -5.653 -9.839 119 HA TRP 648 HA TRP 648 -3.000 -3.832 -10.651 120 HB2 TRP 648 2HB TRP 648 -4.234 -5.871 -11.424 121 HB3 TRP 648 1HB TRP 648 -2.565 -5.784 -11.979 122 HD1 TRP 648 HD TRP 648 -0.854 -7.593 -11.024 123 HE1 TRP 648 1HE TRP 648 -1.208 -9.846 -9.831 124 HE3 TRP 648 3HE TRP 648 -5.781 -7.077 -9.762 125 HZ2 TRP 648 2HZ TRP 648 -3.300 -11.222 -8.528 126 HZ3 TRP 648 3HZ TRP 648 -6.884 -8.909 -8.545 127 HH2 TRP 648 HH TRP 648 -5.668 -10.938 -7.941 128 H ARG 649 H ARG 649 -2.697 -5.656 -7.756 129 HA ARG 649 HA ARG 649 -5.502 -5.541 -7.095 130 HB2 ARG 649 2HB ARG 649 -3.365 -7.164 -6.324 131 HB3 ARG 649 1HB ARG 649 -3.740 -6.213 -4.894 132 HG2 ARG 649 2HG ARG 649 -5.861 -7.095 -4.698 133 HG3 ARG 649 1HG ARG 649 -5.935 -7.566 -6.396 134 HD2 ARG 649 2HD ARG 649 -4.164 -9.258 -5.928 135 HD3 ARG 649 1HD ARG 649 -4.296 -8.853 -4.218 136 HE ARG 649 HE ARG 649 -6.849 -9.485 -5.151 137 HH11 ARG 649 1HH1 ARG 649 -3.777 -11.057 -4.626 138 HH12 ARG 649 2HH1 ARG 649 -4.482 -12.611 -4.332 139 HH21 ARG 649 1HH2 ARG 649 -7.777 -11.528 -4.765 140 HH22 ARG 649 2HH2 ARG 649 -6.753 -12.880 -4.413 141 H GLN 650 H GLN 650 -2.754 -3.570 -6.823 142 HA GLN 650 HA GLN 650 -3.441 -2.249 -4.411 143 HB2 GLN 650 2HB GLN 650 -1.343 -2.080 -6.404 144 HB3 GLN 650 1HB GLN 650 -1.858 -0.486 -5.872 145 HG2 GLN 650 2HG GLN 650 -1.627 -1.551 -3.491 146 HG3 GLN 650 1HG GLN 650 -0.562 -2.673 -4.335 147 HE21 GLN 650 1HE2 GLN 650 -0.356 -0.224 -2.402 148 HE22 GLN 650 2HE2 GLN 650 0.989 0.645 -3.050 149 H TRP 651 H TRP 651 -4.689 -2.084 -7.564 150 HA TRP 651 HA TRP 651 -6.423 0.090 -6.824 151 HB2 TRP 651 2HB TRP 651 -5.810 1.368 -8.972 152 HB3 TRP 651 1HB TRP 651 -4.730 1.520 -7.590 153 HD1 TRP 651 HD TRP 651 -2.551 -0.331 -7.714 154 HE1 TRP 651 1HE TRP 651 -1.088 -0.845 -9.766 155 HE3 TRP 651 3HE TRP 651 -5.708 1.303 -11.388 156 HZ2 TRP 651 2HZ TRP 651 -1.251 -0.591 -12.575 157 HZ3 TRP 651 3HZ TRP 651 -4.979 1.132 -13.732 158 HH2 TRP 651 HH TRP 651 -2.796 0.206 -14.312 159 H ILE 652 H ILE 652 -7.211 -2.431 -7.292 160 HA ILE 652 HA ILE 652 -7.823 -3.058 -9.981 161 HB ILE 652 HB ILE 652 -9.668 -3.931 -7.796 162 HG12 ILE 652 2HG1 ILE 652 -7.634 -5.828 -7.796 163 HG13 ILE 652 1HG1 ILE 652 -6.777 -4.291 -7.773 164 HG21 ILE 652 1HG2 ILE 652 -9.794 -5.943 -9.049 165 HG22 ILE 652 2HG2 ILE 652 -8.397 -5.496 -10.027 166 HG23 ILE 652 3HG2 ILE 652 -9.911 -4.608 -10.196 167 HD11 ILE 652 1HD1 ILE 652 -7.395 -5.405 -5.545 168 HD12 ILE 652 2HD1 ILE 652 -9.022 -4.810 -5.873 169 HD13 ILE 652 3HD1 ILE 652 -7.680 -3.675 -5.734 170 HA PRO 653 HA PRO 653 -11.937 -0.814 -9.297 171 HB2 PRO 653 2HB PRO 653 -12.519 0.131 -6.791 172 HB3 PRO 653 1HB PRO 653 -12.858 -1.514 -7.330 173 HG2 PRO 653 2HG PRO 653 -10.944 -0.628 -5.358 174 HG3 PRO 653 1HG PRO 653 -11.368 -2.283 -5.814 175 HD2 PRO 653 2HD PRO 653 -9.084 -0.634 -6.658 176 HD3 PRO 653 1HD PRO 653 -9.284 -2.397 -6.708 177 H ALA 654 H ALA 654 -10.613 1.084 -6.618 178 HA ALA 654 HA ALA 654 -9.284 3.109 -7.868 179 HB1 ALA 654 1HB ALA 654 -11.264 4.845 -7.881 180 HB2 ALA 654 2HB ALA 654 -12.233 3.401 -8.174 181 HB3 ALA 654 3HB ALA 654 -10.935 3.832 -9.287 182 H GLY 655 H GLY 655 -8.244 3.235 -5.910 183 HA2 GLY 655 2HA GLY 655 -8.023 4.661 -3.988 184 HA3 GLY 655 1HA GLY 655 -9.763 4.571 -3.771 185 H ILE 656 H ILE 656 -7.452 1.948 -4.322 186 HA ILE 656 HA ILE 656 -8.265 0.807 -1.727 187 HB ILE 656 HB ILE 656 -8.965 -0.490 -3.715 188 HG12 ILE 656 2HG1 ILE 656 -7.921 -2.677 -2.956 189 HG13 ILE 656 1HG1 ILE 656 -6.932 -1.726 -1.852 190 HG21 ILE 656 1HG2 ILE 656 -7.515 -1.316 -5.285 191 HG22 ILE 656 2HG2 ILE 656 -6.133 -1.264 -4.188 192 HG23 ILE 656 3HG2 ILE 656 -6.753 0.227 -4.896 193 HD11 ILE 656 1HD1 ILE 656 -9.118 -0.818 -0.933 194 HD12 ILE 656 2HD1 ILE 656 -8.726 -2.499 -0.572 195 HD13 ILE 656 3HD1 ILE 656 -9.902 -2.118 -1.830 196 H GLY 657 H GLY 657 -5.539 1.292 -3.945 197 HA2 GLY 657 2HA GLY 657 -3.729 0.931 -1.646 198 HA3 GLY 657 1HA GLY 657 -3.380 0.153 -3.184 199 H VAL 658 H VAL 658 -3.837 1.970 -5.044 200 HA VAL 658 HA VAL 658 -1.634 3.725 -4.846 201 HB VAL 658 HB VAL 658 -2.642 2.793 -6.974 202 HG11 VAL 658 1HG1 VAL 658 -4.981 3.320 -6.490 203 HG12 VAL 658 2HG1 VAL 658 -4.462 4.021 -8.023 204 HG13 VAL 658 3HG1 VAL 658 -4.613 5.042 -6.593 205 HG21 VAL 658 1HG2 VAL 658 -2.453 5.241 -8.081 206 HG22 VAL 658 2HG2 VAL 658 -1.060 4.290 -7.568 207 HG23 VAL 658 3HG2 VAL 658 -1.704 5.549 -6.515 208 H THR 659 H THR 659 -5.098 4.132 -4.494 209 HA THR 659 HA THR 659 -4.631 6.814 -3.377 210 HB THR 659 HB THR 659 -6.959 5.793 -5.008 211 HG1 THR 659 1HG THR 659 -5.232 8.014 -5.336 212 HG21 THR 659 1HG2 THR 659 -8.114 7.848 -4.669 213 HG22 THR 659 2HG2 THR 659 -6.802 8.483 -3.675 214 HG23 THR 659 3HG2 THR 659 -7.785 7.141 -3.087 215 H GLY 660 H GLY 660 -5.825 3.645 -2.890 216 HA2 GLY 660 2HA GLY 660 -7.601 4.311 -0.715 217 HA3 GLY 660 1HA GLY 660 -7.136 2.698 -1.243 218 H VAL 661 H VAL 661 -4.480 2.640 -0.995 219 HA VAL 661 HA VAL 661 -4.119 2.612 1.872 220 HB VAL 661 HB VAL 661 -2.356 1.675 -0.394 221 HG11 VAL 661 1HG1 VAL 661 -1.757 2.041 2.475 222 HG12 VAL 661 2HG1 VAL 661 -0.678 2.036 1.081 223 HG13 VAL 661 3HG1 VAL 661 -1.251 0.512 1.758 224 HG21 VAL 661 1HG2 VAL 661 -4.565 0.511 0.793 225 HG22 VAL 661 2HG2 VAL 661 -3.200 -0.266 1.594 226 HG23 VAL 661 3HG2 VAL 661 -3.336 -0.316 -0.163 227 H VAL 662 H VAL 662 -2.240 3.873 -0.862 228 HA VAL 662 HA VAL 662 -0.341 5.356 0.356 229 HB VAL 662 HB VAL 662 -1.977 6.068 -2.068 230 HG11 VAL 662 1HG1 VAL 662 0.714 7.232 -1.359 231 HG12 VAL 662 2HG1 VAL 662 -0.807 8.055 -1.015 232 HG13 VAL 662 3HG1 VAL 662 -0.354 7.698 -2.682 233 HG21 VAL 662 1HG2 VAL 662 -0.600 4.760 -3.268 234 HG22 VAL 662 2HG2 VAL 662 -0.271 3.993 -1.714 235 HG23 VAL 662 3HG2 VAL 662 0.824 5.226 -2.338 236 H ILE 663 H ILE 663 -3.736 6.119 0.146 237 HA ILE 663 HA ILE 663 -3.421 8.812 1.096 238 HB ILE 663 HB ILE 663 -5.283 7.705 -0.405 239 HG12 ILE 663 2HG1 ILE 663 -6.863 9.579 0.538 240 HG13 ILE 663 1HG1 ILE 663 -5.465 9.986 1.529 241 HG21 ILE 663 1HG2 ILE 663 -7.244 7.031 0.653 242 HG22 ILE 663 2HG2 ILE 663 -6.746 7.694 2.210 243 HG23 ILE 663 3HG2 ILE 663 -5.970 6.241 1.582 244 HD11 ILE 663 1HD1 ILE 663 -5.746 10.085 -1.447 245 HD12 ILE 663 2HD1 ILE 663 -4.164 10.053 -0.668 246 HD13 ILE 663 3HD1 ILE 663 -5.288 11.370 -0.330 247 H ALA 664 H ALA 664 -4.282 5.697 2.480 248 HA ALA 664 HA ALA 664 -4.985 6.822 5.041 249 HB1 ALA 664 1HB ALA 664 -6.193 4.924 4.805 250 HB2 ALA 664 2HB ALA 664 -4.778 4.212 5.578 251 HB3 ALA 664 3HB ALA 664 -4.961 4.128 3.826 252 H VAL 665 H VAL 665 -2.124 5.533 3.527 253 HA VAL 665 HA VAL 665 -0.721 5.181 6.028 254 HB VAL 665 HB VAL 665 -0.119 3.609 4.365 255 HG11 VAL 665 1HG1 VAL 665 1.041 4.926 2.230 256 HG12 VAL 665 2HG1 VAL 665 -0.415 5.862 2.560 257 HG13 VAL 665 3HG1 VAL 665 -0.534 4.133 2.238 258 HG21 VAL 665 1HG2 VAL 665 2.249 3.973 4.062 259 HG22 VAL 665 2HG2 VAL 665 1.755 4.530 5.660 260 HG23 VAL 665 3HG2 VAL 665 2.046 5.696 4.371 261 H ILE 666 H ILE 666 -0.955 7.485 3.422 262 HA ILE 666 HA ILE 666 1.233 9.117 4.339 263 HB ILE 666 HB ILE 666 -0.889 9.462 2.232 264 HG12 ILE 666 2HG1 ILE 666 2.115 9.096 2.088 265 HG13 ILE 666 1HG1 ILE 666 0.903 7.880 1.702 266 HG21 ILE 666 1HG2 ILE 666 1.243 11.407 3.090 267 HG22 ILE 666 2HG2 ILE 666 -0.498 11.670 3.000 268 HG23 ILE 666 3HG2 ILE 666 0.443 11.484 1.520 269 HD11 ILE 666 1HD1 ILE 666 0.086 9.536 -0.068 270 HD12 ILE 666 2HD1 ILE 666 1.601 8.683 -0.364 271 HD13 ILE 666 3HD1 ILE 666 1.625 10.357 0.189 272 H ALA 667 H ALA 667 -2.278 9.117 4.467 273 HA ALA 667 HA ALA 667 -2.955 11.582 5.320 274 HB1 ALA 667 1HB ALA 667 -4.637 10.352 6.846 275 HB2 ALA 667 2HB ALA 667 -3.939 8.886 6.154 276 HB3 ALA 667 3HB ALA 667 -4.700 10.080 5.103 277 H LEU 668 H LEU 668 -1.204 9.180 7.185 278 HA LEU 668 HA LEU 668 -1.347 10.718 9.621 279 HB2 LEU 668 2HB LEU 668 -1.324 8.253 9.645 280 HB3 LEU 668 1HB LEU 668 0.276 8.270 8.928 281 HG LEU 668 HG LEU 668 1.308 8.860 10.884 282 HD11 LEU 668 1HD1 LEU 668 0.255 10.106 12.708 283 HD12 LEU 668 2HD1 LEU 668 -1.271 10.106 11.825 284 HD13 LEU 668 3HD1 LEU 668 0.122 10.970 11.175 285 HD21 LEU 668 1HD2 LEU 668 -0.679 7.874 12.659 286 HD22 LEU 668 2HD2 LEU 668 0.742 7.045 12.024 287 HD23 LEU 668 3HD2 LEU 668 -0.788 6.969 11.149 288 H PHE 669 H PHE 669 1.381 9.499 7.656 289 HA PHE 669 HA PHE 669 3.358 11.100 8.769 290 HB2 PHE 669 2HB PHE 669 3.778 9.188 7.239 291 HB3 PHE 669 1HB PHE 669 3.197 10.166 5.894 292 HD1 PHE 669 1HD PHE 669 4.656 11.547 4.724 293 HD2 PHE 669 2HD PHE 669 5.800 10.045 8.538 294 HE1 PHE 669 1HE PHE 669 6.926 12.434 4.388 295 HE2 PHE 669 2HE PHE 669 8.072 10.930 8.210 296 HZ PHE 669 HZ PHE 669 8.638 12.127 6.133 297 H ALA 670 H ALA 670 0.866 11.874 6.518 298 HA ALA 670 HA ALA 670 1.986 14.230 5.426 299 HB1 ALA 670 1HB ALA 670 -0.954 13.657 5.721 300 HB2 ALA 670 2HB ALA 670 0.053 12.879 4.498 301 HB3 ALA 670 3HB ALA 670 -0.149 14.632 4.492 302 H ILE 671 H ILE 671 0.499 13.510 8.474 303 HA ILE 671 HA ILE 671 -0.157 16.268 9.044 304 HB ILE 671 HB ILE 671 -0.121 13.979 10.988 305 HG12 ILE 671 2HG1 ILE 671 -2.652 14.885 9.694 306 HG13 ILE 671 1HG1 ILE 671 -1.593 13.821 8.776 307 HG21 ILE 671 1HG2 ILE 671 -0.233 16.122 12.046 308 HG22 ILE 671 2HG2 ILE 671 -1.820 15.361 12.150 309 HG23 ILE 671 3HG2 ILE 671 -1.529 16.636 10.967 310 HD11 ILE 671 1HD1 ILE 671 -1.644 12.291 10.805 311 HD12 ILE 671 2HD1 ILE 671 -3.116 12.408 9.840 312 HD13 ILE 671 3HD1 ILE 671 -2.991 13.280 11.368 313 H ALA 672 H ALA 672 2.291 13.928 9.866 314 HA ALA 672 HA ALA 672 3.593 15.347 11.902 315 HB1 ALA 672 1HB ALA 672 4.478 13.285 9.924 316 HB2 ALA 672 2HB ALA 672 4.127 13.087 11.641 317 HB3 ALA 672 3HB ALA 672 5.579 13.950 11.131 318 H LYS 673 H LYS 673 3.715 15.556 8.436 319 HA LYS 673 HA LYS 673 5.952 17.408 8.488 320 HB2 LYS 673 2HB LYS 673 5.303 17.441 5.913 321 HB3 LYS 673 1HB LYS 673 6.258 16.144 6.612 322 HG2 LYS 673 2HG LYS 673 4.696 14.614 6.184 323 HG3 LYS 673 1HG LYS 673 3.391 15.650 6.761 324 HD2 LYS 673 2HD LYS 673 2.762 15.897 4.646 325 HD3 LYS 673 1HD LYS 673 4.236 16.831 4.386 326 HE2 LYS 673 2HE LYS 673 5.306 14.447 4.101 327 HE3 LYS 673 1HE LYS 673 3.646 13.981 3.737 328 HZ1 LYS 673 1HZ LYS 673 5.367 15.901 2.289 329 HZ2 LYS 673 2HZ LYS 673 3.687 15.891 2.091 330 HZ3 LYS 673 3HZ LYS 673 4.594 14.521 1.688 331 H PHE 674 H PHE 674 2.543 17.484 8.550 332 HA PHE 674 HA PHE 674 2.388 20.191 7.474 333 HB2 PHE 674 2HB PHE 674 0.680 18.303 7.047 334 HB3 PHE 674 1HB PHE 674 0.103 18.651 8.673 335 HD1 PHE 674 1HD PHE 674 -0.359 21.222 9.123 336 HD2 PHE 674 2HD PHE 674 -0.322 19.378 5.288 337 HE1 PHE 674 1HE PHE 674 -1.752 23.046 8.237 338 HE2 PHE 674 2HE PHE 674 -1.715 21.198 4.395 339 HZ PHE 674 HZ PHE 674 -2.432 23.036 5.870 340 H VAL 675 H VAL 675 2.155 18.470 10.528 341 HA VAL 675 HA VAL 675 1.460 20.936 11.933 342 HB VAL 675 HB VAL 675 1.829 18.156 13.051 343 HG11 VAL 675 1HG1 VAL 675 1.925 19.312 14.977 344 HG12 VAL 675 2HG1 VAL 675 0.182 19.475 14.761 345 HG13 VAL 675 3HG1 VAL 675 1.260 20.774 14.248 346 HG21 VAL 675 1HG2 VAL 675 -0.774 19.565 12.523 347 HG22 VAL 675 2HG2 VAL 675 -0.516 17.876 12.959 348 HG23 VAL 675 3HG2 VAL 675 -0.033 18.459 11.366 349 H PHE 676 H PHE 676 4.231 19.261 11.007 350 HA PHE 676 HA PHE 676 5.812 20.763 12.979 351 HB2 PHE 676 2HB PHE 676 6.623 18.013 12.054 352 HB3 PHE 676 1HB PHE 676 7.283 18.951 13.386 353 HD1 PHE 676 1HD PHE 676 4.057 17.432 12.285 354 HD2 PHE 676 2HD PHE 676 6.635 18.428 15.521 355 HE1 PHE 676 1HE PHE 676 2.540 16.280 13.842 356 HE2 PHE 676 2HE PHE 676 5.122 17.281 17.085 357 HZ PHE 676 HZ PHE 676 3.072 16.204 16.247 Start of MODEL 3 1 H1 GLY 630 1HT GLY 630 8.180 -22.942 1.255 2 H2 GLY 630 2HT GLY 630 7.071 -22.759 2.519 3 H3 GLY 630 3HT GLY 630 8.466 -23.689 2.746 4 HA2 GLY 630 HA2 GLY 630 8.153 -20.776 2.683 5 HA3 GLY 630 HA3 GLY 630 9.099 -21.769 3.782 6 H SER 631 H SER 631 9.148 -19.833 0.999 7 HA SER 631 HA SER 631 11.928 -20.642 0.456 8 HB2 SER 631 2HB SER 631 9.672 -20.196 -1.355 9 HB3 SER 631 1HB SER 631 11.115 -19.291 -1.813 10 HG SER 631 HG SER 631 11.197 -22.045 -1.173 11 H ASP 632 H ASP 632 9.654 -17.911 0.485 12 HA ASP 632 HA ASP 632 11.872 -16.190 1.272 13 HB2 ASP 632 2HB ASP 632 11.585 -15.868 -1.136 14 HB3 ASP 632 1HB ASP 632 9.894 -15.464 -0.870 15 H LYS 633 H LYS 633 8.795 -14.914 0.392 16 HA LYS 633 HA LYS 633 8.334 -13.534 2.731 17 HB2 LYS 633 2HB LYS 633 5.999 -13.334 1.977 18 HB3 LYS 633 1HB LYS 633 7.137 -13.057 0.665 19 HG2 LYS 633 2HG LYS 633 6.738 -15.659 0.293 20 HG3 LYS 633 1HG LYS 633 5.203 -15.259 1.069 21 HD2 LYS 633 2HD LYS 633 6.201 -13.534 -1.150 22 HD3 LYS 633 1HD LYS 633 5.478 -15.097 -1.536 23 HE2 LYS 633 2HE LYS 633 3.664 -14.133 0.217 24 HE3 LYS 633 1HE LYS 633 4.236 -12.632 -0.509 25 HZ1 LYS 633 1HZ LYS 633 2.291 -13.727 -1.630 26 HZ2 LYS 633 2HZ LYS 633 3.348 -14.949 -2.127 27 HZ3 LYS 633 3HZ LYS 633 3.597 -13.358 -2.640 28 H THR 634 H THR 634 7.239 -16.774 1.829 29 HA THR 634 HA THR 634 7.222 -17.745 4.424 30 HB THR 634 HB THR 634 4.442 -17.916 4.077 31 HG1 THR 634 1HG THR 634 4.183 -16.151 2.908 32 HG21 THR 634 1HG2 THR 634 5.294 -17.885 6.261 33 HG22 THR 634 2HG2 THR 634 4.383 -16.386 6.081 34 HG23 THR 634 3HG2 THR 634 6.144 -16.363 5.992 35 H LEU 635 H LEU 635 6.349 -17.995 1.209 36 HA LEU 635 HA LEU 635 6.999 -20.647 0.922 37 HB2 LEU 635 2HB LEU 635 5.078 -21.244 2.219 38 HB3 LEU 635 1HB LEU 635 4.042 -20.230 1.239 39 HG LEU 635 HG LEU 635 3.964 -22.776 0.873 40 HD11 LEU 635 1HD1 LEU 635 3.149 -20.815 -0.644 41 HD12 LEU 635 2HD1 LEU 635 3.196 -22.463 -1.266 42 HD13 LEU 635 3HD1 LEU 635 4.480 -21.328 -1.681 43 HD21 LEU 635 1HD2 LEU 635 5.621 -23.544 -0.845 44 HD22 LEU 635 2HD2 LEU 635 6.287 -23.290 0.767 45 HD23 LEU 635 3HD2 LEU 635 6.561 -22.091 -0.498 46 HA PRO 636 HA PRO 636 4.660 -19.294 -3.097 47 HB2 PRO 636 2HB PRO 636 3.908 -16.615 -3.011 48 HB3 PRO 636 1HB PRO 636 2.814 -17.990 -2.854 49 HG2 PRO 636 2HG PRO 636 3.960 -16.231 -0.756 50 HG3 PRO 636 1HG PRO 636 2.393 -17.055 -0.804 51 HD2 PRO 636 2HD PRO 636 4.473 -17.901 0.721 52 HD3 PRO 636 1HD PRO 636 3.261 -19.006 0.060 53 H ASP 637 H ASP 637 6.656 -17.392 -1.050 54 HA ASP 637 HA ASP 637 8.326 -15.857 -1.472 55 HB2 ASP 637 2HB ASP 637 10.246 -17.069 -2.001 56 HB3 ASP 637 1HB ASP 637 9.126 -18.284 -1.400 57 H GLN 638 H GLN 638 6.303 -15.276 -3.255 58 HA GLN 638 HA GLN 638 5.825 -14.202 -5.206 59 HB2 GLN 638 2HB GLN 638 8.715 -13.429 -4.824 60 HB3 GLN 638 1HB GLN 638 7.672 -12.707 -6.041 61 HG2 GLN 638 2HG GLN 638 6.137 -12.335 -3.888 62 HG3 GLN 638 1HG GLN 638 7.722 -12.331 -3.116 63 HE21 GLN 638 1HE2 GLN 638 9.368 -11.022 -4.570 64 HE22 GLN 638 2HE2 GLN 638 8.821 -9.437 -4.986 65 H GLY 639 H GLY 639 5.352 -15.739 -6.695 66 HA2 GLY 639 2HA GLY 639 7.187 -16.129 -8.843 67 HA3 GLY 639 1HA GLY 639 7.033 -17.586 -7.871 68 H ASP 640 H ASP 640 4.309 -17.366 -7.198 69 HA ASP 640 HA ASP 640 3.144 -18.320 -9.656 70 HB2 ASP 640 2HB ASP 640 2.794 -19.075 -7.102 71 HB3 ASP 640 1HB ASP 640 1.453 -17.942 -7.243 72 H ASN 641 H ASN 641 2.727 -15.561 -7.493 73 HA ASN 641 HA ASN 641 1.872 -13.821 -9.506 74 HB2 ASN 641 2HB ASN 641 -0.163 -15.524 -8.979 75 HB3 ASN 641 1HB ASN 641 -0.498 -14.268 -7.791 76 HD21 ASN 641 1HD2 ASN 641 -2.453 -14.059 -9.125 77 HD22 ASN 641 2HD2 ASN 641 -2.397 -13.016 -10.501 78 H ASP 642 H ASP 642 3.291 -12.444 -8.463 79 HA ASP 642 HA ASP 642 3.125 -11.825 -5.689 80 HB2 ASP 642 2HB ASP 642 4.388 -10.130 -7.848 81 HB3 ASP 642 1HB ASP 642 4.777 -10.142 -6.131 82 H ASN 643 H ASN 643 1.391 -10.803 -8.449 83 HA ASN 643 HA ASN 643 0.677 -8.197 -7.893 84 HB2 ASN 643 2HB ASN 643 -1.097 -10.341 -9.069 85 HB3 ASN 643 1HB ASN 643 -1.289 -8.602 -9.272 86 HD21 ASN 643 1HD2 ASN 643 1.317 -7.840 -9.721 87 HD22 ASN 643 2HD2 ASN 643 1.859 -8.509 -11.219 88 H TRP 644 H TRP 644 -0.217 -11.050 -6.173 89 HA TRP 644 HA TRP 644 -2.694 -10.500 -5.142 90 HB2 TRP 644 2HB TRP 644 -2.141 -11.898 -3.284 91 HB3 TRP 644 1HB TRP 644 -1.262 -12.527 -4.674 92 HD1 TRP 644 HD TRP 644 1.423 -11.748 -4.783 93 HE1 TRP 644 1HE TRP 644 3.094 -11.497 -2.839 94 HE3 TRP 644 3HE TRP 644 -1.890 -11.363 -0.912 95 HZ2 TRP 644 2HZ TRP 644 3.014 -11.179 -0.034 96 HZ3 TRP 644 3HZ TRP 644 -1.013 -11.088 1.371 97 HH2 TRP 644 HH TRP 644 1.389 -10.999 1.799 98 H TRP 645 H TRP 645 0.318 -8.909 -4.417 99 HA TRP 645 HA TRP 645 -1.128 -6.902 -2.884 100 HB2 TRP 645 2HB TRP 645 0.047 -8.829 -1.439 101 HB3 TRP 645 1HB TRP 645 1.439 -7.775 -1.667 102 HD1 TRP 645 HD TRP 645 1.156 -5.204 -0.709 103 HE1 TRP 645 1HE TRP 645 -0.180 -4.353 1.319 104 HE3 TRP 645 3HE TRP 645 -1.980 -9.191 -0.073 105 HZ2 TRP 645 2HZ TRP 645 -2.286 -5.253 2.971 106 HZ3 TRP 645 3HZ TRP 645 -3.626 -9.117 1.755 107 HH2 TRP 645 HH TRP 645 -3.774 -7.188 3.244 108 H THR 646 H THR 646 0.427 -7.232 -5.485 109 HA THR 646 HA THR 646 1.791 -4.696 -5.305 110 HB THR 646 HB THR 646 3.494 -6.430 -4.620 111 HG1 THR 646 1HG THR 646 5.054 -5.369 -5.684 112 HG21 THR 646 1HG2 THR 646 4.278 -7.230 -7.228 113 HG22 THR 646 2HG2 THR 646 2.615 -7.750 -6.953 114 HG23 THR 646 3HG2 THR 646 3.887 -8.231 -5.829 115 H GLY 647 H GLY 647 -0.479 -6.018 -6.747 116 HA2 GLY 647 2HA GLY 647 0.212 -4.986 -9.383 117 HA3 GLY 647 1HA GLY 647 -0.244 -6.681 -9.312 118 H TRP 648 H TRP 648 -2.387 -7.194 -8.454 119 HA TRP 648 HA TRP 648 -4.335 -5.291 -9.444 120 HB2 TRP 648 2HB TRP 648 -5.956 -7.109 -9.132 121 HB3 TRP 648 1HB TRP 648 -4.556 -7.650 -10.053 122 HD1 TRP 648 HD TRP 648 -3.101 -9.584 -9.037 123 HE1 TRP 648 1HE TRP 648 -3.373 -11.114 -6.985 124 HE3 TRP 648 3HE TRP 648 -6.875 -7.089 -6.655 125 HZ2 TRP 648 2HZ TRP 648 -4.975 -11.247 -4.665 126 HZ3 TRP 648 3HZ TRP 648 -7.721 -7.985 -4.525 127 HH2 TRP 648 HH TRP 648 -6.790 -10.021 -3.552 128 H ARG 649 H ARG 649 -3.066 -6.293 -6.409 129 HA ARG 649 HA ARG 649 -5.338 -5.356 -4.882 130 HB2 ARG 649 2HB ARG 649 -3.605 -7.294 -4.337 131 HB3 ARG 649 1HB ARG 649 -2.710 -5.964 -3.615 132 HG2 ARG 649 2HG ARG 649 -5.140 -5.519 -2.553 133 HG3 ARG 649 1HG ARG 649 -5.195 -7.273 -2.740 134 HD2 ARG 649 2HD ARG 649 -4.206 -7.214 -0.705 135 HD3 ARG 649 1HD ARG 649 -2.750 -7.030 -1.683 136 HE ARG 649 HE ARG 649 -2.502 -4.947 -0.799 137 HH11 ARG 649 1HH1 ARG 649 -5.851 -5.873 -0.473 138 HH12 ARG 649 2HH1 ARG 649 -6.284 -4.457 0.424 139 HH21 ARG 649 1HH2 ARG 649 -3.070 -3.084 0.381 140 HH22 ARG 649 2HH2 ARG 649 -4.706 -2.873 0.909 141 H GLN 650 H GLN 650 -2.527 -4.095 -6.280 142 HA GLN 650 HA GLN 650 -1.953 -2.051 -4.412 143 HB2 GLN 650 2HB GLN 650 -1.129 -2.725 -7.177 144 HB3 GLN 650 1HB GLN 650 -0.911 -1.057 -6.669 145 HG2 GLN 650 2HG GLN 650 0.212 -3.488 -5.293 146 HG3 GLN 650 1HG GLN 650 1.107 -2.363 -6.314 147 HE21 GLN 650 1HE2 GLN 650 1.620 -0.328 -5.530 148 HE22 GLN 650 2HE2 GLN 650 1.507 0.073 -3.854 149 H TRP 651 H TRP 651 -4.380 -2.448 -6.774 150 HA TRP 651 HA TRP 651 -5.618 0.023 -6.114 151 HB2 TRP 651 2HB TRP 651 -5.582 0.949 -8.450 152 HB3 TRP 651 1HB TRP 651 -4.030 1.002 -7.622 153 HD1 TRP 651 HD TRP 651 -2.315 -1.141 -8.312 154 HE1 TRP 651 1HE TRP 651 -1.920 -2.140 -10.651 155 HE3 TRP 651 3HE TRP 651 -6.556 0.522 -10.633 156 HZ2 TRP 651 2HZ TRP 651 -3.233 -2.214 -13.149 157 HZ3 TRP 651 3HZ TRP 651 -6.911 -0.056 -12.998 158 HH2 TRP 651 HH TRP 651 -5.282 -1.395 -14.229 159 H ILE 652 H ILE 652 -6.773 -2.238 -5.719 160 HA ILE 652 HA ILE 652 -8.045 -3.528 -7.866 161 HB ILE 652 HB ILE 652 -9.312 -3.274 -5.146 162 HG12 ILE 652 2HG1 ILE 652 -7.599 -5.607 -5.549 163 HG13 ILE 652 1HG1 ILE 652 -6.699 -4.096 -5.521 164 HG21 ILE 652 1HG2 ILE 652 -10.645 -4.361 -6.845 165 HG22 ILE 652 2HG2 ILE 652 -10.109 -5.538 -5.647 166 HG23 ILE 652 3HG2 ILE 652 -9.314 -5.456 -7.219 167 HD11 ILE 652 1HD1 ILE 652 -6.977 -3.846 -3.327 168 HD12 ILE 652 2HD1 ILE 652 -7.426 -5.552 -3.338 169 HD13 ILE 652 3HD1 ILE 652 -8.677 -4.310 -3.394 170 HA PRO 653 HA PRO 653 -11.836 -0.633 -7.104 171 HB2 PRO 653 2HB PRO 653 -11.391 1.634 -5.652 172 HB3 PRO 653 1HB PRO 653 -11.975 0.123 -4.949 173 HG2 PRO 653 2HG PRO 653 -9.219 1.272 -4.949 174 HG3 PRO 653 1HG PRO 653 -10.073 0.397 -3.669 175 HD2 PRO 653 2HD PRO 653 -8.185 -0.738 -5.258 176 HD3 PRO 653 1HD PRO 653 -9.519 -1.644 -4.523 177 H ALA 654 H ALA 654 -9.133 1.659 -6.734 178 HA ALA 654 HA ALA 654 -8.547 2.254 -9.328 179 HB1 ALA 654 1HB ALA 654 -11.056 3.596 -8.443 180 HB2 ALA 654 2HB ALA 654 -10.630 2.933 -10.020 181 HB3 ALA 654 3HB ALA 654 -9.936 4.465 -9.490 182 H GLY 655 H GLY 655 -6.834 2.268 -7.646 183 HA2 GLY 655 2HA GLY 655 -5.067 3.812 -7.207 184 HA3 GLY 655 1HA GLY 655 -6.272 5.062 -6.940 185 H ILE 656 H ILE 656 -6.259 1.791 -5.593 186 HA ILE 656 HA ILE 656 -6.683 2.808 -2.952 187 HB ILE 656 HB ILE 656 -7.495 0.559 -3.930 188 HG12 ILE 656 2HG1 ILE 656 -6.672 -0.396 -1.445 189 HG13 ILE 656 1HG1 ILE 656 -6.719 1.352 -1.247 190 HG21 ILE 656 1HG2 ILE 656 -6.090 -1.194 -4.128 191 HG22 ILE 656 2HG2 ILE 656 -5.116 -0.699 -2.741 192 HG23 ILE 656 3HG2 ILE 656 -4.877 0.073 -4.306 193 HD11 ILE 656 1HD1 ILE 656 -9.047 1.274 -2.204 194 HD12 ILE 656 2HD1 ILE 656 -8.837 0.543 -0.613 195 HD13 ILE 656 3HD1 ILE 656 -8.958 -0.480 -2.044 196 H GLY 657 H GLY 657 -3.937 2.152 -4.856 197 HA2 GLY 657 2HA GLY 657 -2.194 2.073 -2.482 198 HA3 GLY 657 1HA GLY 657 -1.731 1.535 -4.094 199 H VAL 658 H VAL 658 -2.902 3.736 -5.469 200 HA VAL 658 HA VAL 658 -0.775 5.659 -5.143 201 HB VAL 658 HB VAL 658 -1.535 4.912 -7.384 202 HG11 VAL 658 1HG1 VAL 658 -3.844 6.624 -7.607 203 HG12 VAL 658 2HG1 VAL 658 -4.091 5.389 -6.376 204 HG13 VAL 658 3HG1 VAL 658 -3.666 4.918 -8.020 205 HG21 VAL 658 1HG2 VAL 658 -2.026 7.455 -8.142 206 HG22 VAL 658 2HG2 VAL 658 -0.423 6.842 -7.735 207 HG23 VAL 658 3HG2 VAL 658 -1.361 7.726 -6.531 208 H THR 659 H THR 659 -4.189 5.404 -4.490 209 HA THR 659 HA THR 659 -4.123 8.080 -3.266 210 HB THR 659 HB THR 659 -6.424 6.745 -4.705 211 HG1 THR 659 1HG THR 659 -6.218 8.518 -6.086 212 HG21 THR 659 1HG2 THR 659 -7.159 8.028 -2.694 213 HG22 THR 659 2HG2 THR 659 -7.782 8.627 -4.232 214 HG23 THR 659 3HG2 THR 659 -6.451 9.464 -3.432 215 H GLY 660 H GLY 660 -4.805 4.725 -2.914 216 HA2 GLY 660 2HA GLY 660 -6.444 5.029 -0.555 217 HA3 GLY 660 1HA GLY 660 -5.838 3.516 -1.221 218 H VAL 661 H VAL 661 -3.123 4.039 -1.278 219 HA VAL 661 HA VAL 661 -2.459 3.752 1.524 220 HB VAL 661 HB VAL 661 -0.704 3.611 -0.936 221 HG11 VAL 661 1HG1 VAL 661 0.910 4.012 0.602 222 HG12 VAL 661 2HG1 VAL 661 0.691 2.294 0.936 223 HG13 VAL 661 3HG1 VAL 661 -0.097 3.498 1.955 224 HG21 VAL 661 1HG2 VAL 661 -1.362 1.267 0.778 225 HG22 VAL 661 2HG2 VAL 661 -0.983 1.337 -0.943 226 HG23 VAL 661 3HG2 VAL 661 -2.572 1.843 -0.369 227 H VAL 662 H VAL 662 -1.133 5.697 -1.134 228 HA VAL 662 HA VAL 662 0.463 7.443 0.160 229 HB VAL 662 HB VAL 662 -1.416 7.958 -2.130 230 HG11 VAL 662 1HG1 VAL 662 -0.083 9.983 -2.614 231 HG12 VAL 662 2HG1 VAL 662 0.770 9.768 -1.086 232 HG13 VAL 662 3HG1 VAL 662 -0.959 10.111 -1.088 233 HG21 VAL 662 1HG2 VAL 662 1.358 6.981 -1.819 234 HG22 VAL 662 2HG2 VAL 662 1.045 8.063 -3.176 235 HG23 VAL 662 3HG2 VAL 662 0.131 6.563 -3.015 236 H ILE 663 H ILE 663 -3.026 7.459 0.164 237 HA ILE 663 HA ILE 663 -3.243 10.045 1.387 238 HB ILE 663 HB ILE 663 -4.924 8.720 -0.115 239 HG12 ILE 663 2HG1 ILE 663 -5.177 11.033 0.772 240 HG13 ILE 663 1HG1 ILE 663 -6.705 10.166 0.652 241 HG21 ILE 663 1HG2 ILE 663 -6.551 7.431 0.924 242 HG22 ILE 663 2HG2 ILE 663 -6.138 8.027 2.531 243 HG23 ILE 663 3HG2 ILE 663 -5.060 6.904 1.704 244 HD11 ILE 663 1HD1 ILE 663 -7.084 10.746 2.751 245 HD12 ILE 663 2HD1 ILE 663 -5.439 11.351 2.945 246 HD13 ILE 663 3HD1 ILE 663 -5.790 9.645 3.224 247 H ALA 664 H ALA 664 -3.246 6.710 2.492 248 HA ALA 664 HA ALA 664 -4.012 7.402 5.184 249 HB1 ALA 664 1HB ALA 664 -3.408 4.915 3.706 250 HB2 ALA 664 2HB ALA 664 -4.720 5.283 4.826 251 HB3 ALA 664 3HB ALA 664 -3.115 4.894 5.445 252 H VAL 665 H VAL 665 -1.046 7.004 3.405 253 HA VAL 665 HA VAL 665 0.590 6.838 5.782 254 HB VAL 665 HB VAL 665 1.458 5.599 3.971 255 HG11 VAL 665 1HG1 VAL 665 2.032 7.238 1.847 256 HG12 VAL 665 2HG1 VAL 665 0.450 7.815 2.365 257 HG13 VAL 665 3HG1 VAL 665 0.673 6.119 1.941 258 HG21 VAL 665 1HG2 VAL 665 2.997 7.312 5.213 259 HG22 VAL 665 2HG2 VAL 665 3.109 8.045 3.615 260 HG23 VAL 665 3HG2 VAL 665 3.610 6.371 3.854 261 H ILE 666 H ILE 666 -0.429 9.181 3.416 262 HA ILE 666 HA ILE 666 1.330 11.260 4.359 263 HB ILE 666 HB ILE 666 -0.949 11.197 2.392 264 HG12 ILE 666 2HG1 ILE 666 1.204 10.123 1.737 265 HG13 ILE 666 1HG1 ILE 666 0.780 11.494 0.718 266 HG21 ILE 666 1HG2 ILE 666 0.722 13.533 3.290 267 HG22 ILE 666 2HG2 ILE 666 -1.035 13.382 3.292 268 HG23 ILE 666 3HG2 ILE 666 -0.164 13.517 1.765 269 HD11 ILE 666 1HD1 ILE 666 3.105 11.065 2.377 270 HD12 ILE 666 2HD1 ILE 666 2.323 12.608 2.720 271 HD13 ILE 666 3HD1 ILE 666 2.840 12.226 1.077 272 H ALA 667 H ALA 667 -2.050 10.327 4.643 273 HA ALA 667 HA ALA 667 -3.290 12.467 5.718 274 HB1 ALA 667 1HB ALA 667 -4.774 10.794 5.694 275 HB2 ALA 667 2HB ALA 667 -4.246 10.514 7.355 276 HB3 ALA 667 3HB ALA 667 -3.549 9.573 6.035 277 H LEU 668 H LEU 668 -0.865 10.492 7.304 278 HA LEU 668 HA LEU 668 -1.235 11.779 9.858 279 HB2 LEU 668 2HB LEU 668 -0.594 9.422 9.729 280 HB3 LEU 668 1HB LEU 668 0.872 9.858 8.869 281 HG LEU 668 HG LEU 668 1.920 10.646 10.760 282 HD11 LEU 668 1HD1 LEU 668 0.225 12.299 11.349 283 HD12 LEU 668 2HD1 LEU 668 0.770 11.417 12.778 284 HD13 LEU 668 3HD1 LEU 668 -0.784 11.028 12.040 285 HD21 LEU 668 1HD2 LEU 668 0.722 8.182 10.935 286 HD22 LEU 668 2HD2 LEU 668 0.293 8.938 12.470 287 HD23 LEU 668 3HD2 LEU 668 1.987 8.791 12.003 288 H PHE 669 H PHE 669 1.569 11.438 7.671 289 HA PHE 669 HA PHE 669 3.152 13.414 8.807 290 HB2 PHE 669 2HB PHE 669 3.531 11.673 6.808 291 HB3 PHE 669 1HB PHE 669 3.238 13.119 5.848 292 HD1 PHE 669 1HD PHE 669 4.600 15.241 6.636 293 HD2 PHE 669 2HD PHE 669 5.684 11.207 7.448 294 HE1 PHE 669 1HE PHE 669 6.935 15.941 6.975 295 HE2 PHE 669 2HE PHE 669 8.020 11.899 7.790 296 HZ PHE 669 HZ PHE 669 8.648 14.269 7.553 297 H ALA 670 H ALA 670 0.379 13.685 6.779 298 HA ALA 670 HA ALA 670 0.811 16.316 5.827 299 HB1 ALA 670 1HB ALA 670 -1.396 16.224 5.007 300 HB2 ALA 670 2HB ALA 670 -1.876 15.022 6.204 301 HB3 ALA 670 3HB ALA 670 -0.784 14.572 4.891 302 H ILE 671 H ILE 671 -0.275 15.040 8.870 303 HA ILE 671 HA ILE 671 -1.536 17.518 9.675 304 HB ILE 671 HB ILE 671 -0.873 15.168 11.424 305 HG12 ILE 671 2HG1 ILE 671 -3.550 15.628 10.127 306 HG13 ILE 671 1HG1 ILE 671 -2.301 14.682 9.324 307 HG21 ILE 671 1HG2 ILE 671 -2.664 16.016 12.829 308 HG22 ILE 671 2HG2 ILE 671 -2.952 17.329 11.687 309 HG23 ILE 671 3HG2 ILE 671 -1.430 17.250 12.574 310 HD11 ILE 671 1HD1 ILE 671 -4.056 13.434 10.679 311 HD12 ILE 671 2HD1 ILE 671 -3.209 14.040 12.103 312 HD13 ILE 671 3HD1 ILE 671 -2.365 13.009 10.946 313 H ALA 672 H ALA 672 1.439 15.790 10.206 314 HA ALA 672 HA ALA 672 2.469 17.322 12.316 315 HB1 ALA 672 1HB ALA 672 4.663 16.478 11.500 316 HB2 ALA 672 2HB ALA 672 3.817 15.806 10.104 317 HB3 ALA 672 3HB ALA 672 3.442 15.226 11.726 318 H LYS 673 H LYS 673 2.387 17.796 8.869 319 HA LYS 673 HA LYS 673 4.081 20.150 9.022 320 HB2 LYS 673 2HB LYS 673 3.400 20.210 6.477 321 HB3 LYS 673 1HB LYS 673 4.614 19.082 7.061 322 HG2 LYS 673 2HG LYS 673 3.401 17.320 6.463 323 HG3 LYS 673 1HG LYS 673 1.944 17.968 7.214 324 HD2 LYS 673 2HD LYS 673 1.182 18.138 5.114 325 HD3 LYS 673 1HD LYS 673 2.196 19.580 5.035 326 HE2 LYS 673 2HE LYS 673 4.064 17.991 4.291 327 HE3 LYS 673 1HE LYS 673 2.778 16.815 4.018 328 HZ1 LYS 673 1HZ LYS 673 1.750 18.299 2.456 329 HZ2 LYS 673 2HZ LYS 673 3.369 18.086 2.015 330 HZ3 LYS 673 3HZ LYS 673 2.884 19.513 2.781 331 H PHE 674 H PHE 674 0.767 19.348 9.148 332 HA PHE 674 HA PHE 674 -0.115 21.983 8.269 333 HB2 PHE 674 2HB PHE 674 -1.341 19.836 7.706 334 HB3 PHE 674 1HB PHE 674 -1.811 19.762 9.401 335 HD1 PHE 674 1HD PHE 674 -3.250 21.552 10.353 336 HD2 PHE 674 2HD PHE 674 -2.436 21.268 6.185 337 HE1 PHE 674 1HE PHE 674 -5.175 23.010 9.882 338 HE2 PHE 674 2HE PHE 674 -4.359 22.726 5.706 339 HZ PHE 674 HZ PHE 674 -5.732 23.599 7.556 340 H VAL 675 H VAL 675 0.241 20.098 11.212 341 HA VAL 675 HA VAL 675 -0.970 22.241 12.791 342 HB VAL 675 HB VAL 675 0.087 19.570 13.720 343 HG11 VAL 675 1HG1 VAL 675 0.014 20.669 15.693 344 HG12 VAL 675 2HG1 VAL 675 -1.710 20.318 15.576 345 HG13 VAL 675 3HG1 VAL 675 -1.096 21.898 15.090 346 HG21 VAL 675 1HG2 VAL 675 -2.327 18.971 13.890 347 HG22 VAL 675 2HG2 VAL 675 -1.753 19.189 12.237 348 HG23 VAL 675 3HG2 VAL 675 -2.705 20.454 13.014 349 H PHE 676 H PHE 676 2.076 21.316 11.685 350 HA PHE 676 HA PHE 676 3.341 23.061 13.684 351 HB2 PHE 676 2HB PHE 676 4.743 20.615 12.623 352 HB3 PHE 676 1HB PHE 676 5.195 21.626 13.988 353 HD1 PHE 676 1HD PHE 676 2.413 19.411 12.858 354 HD2 PHE 676 2HD PHE 676 4.723 20.894 16.111 355 HE1 PHE 676 1HE PHE 676 1.252 17.866 14.382 356 HE2 PHE 676 2HE PHE 676 3.563 19.356 17.641 357 HZ PHE 676 HZ PHE 676 1.826 17.839 16.777 Start of MODEL 4 1 H1 GLY 630 1HT GLY 630 11.194 -24.335 0.712 2 H2 GLY 630 2HT GLY 630 10.668 -23.386 2.009 3 H3 GLY 630 3HT GLY 630 12.093 -22.984 1.192 4 HA2 GLY 630 HA2 GLY 630 9.305 -22.754 0.233 5 HA3 GLY 630 HA3 GLY 630 10.497 -21.475 0.405 6 H SER 631 H SER 631 9.734 -21.094 -1.866 7 HA SER 631 HA SER 631 11.313 -22.738 -3.733 8 HB2 SER 631 2HB SER 631 8.529 -21.736 -3.902 9 HB3 SER 631 1HB SER 631 9.485 -21.631 -5.380 10 HG SER 631 HG SER 631 8.362 -23.636 -5.160 11 H ASP 632 H ASP 632 10.111 -19.493 -2.979 12 HA ASP 632 HA ASP 632 12.482 -18.402 -4.254 13 HB2 ASP 632 2HB ASP 632 10.788 -18.276 -5.990 14 HB3 ASP 632 1HB ASP 632 9.709 -17.434 -4.889 15 H LYS 633 H LYS 633 9.868 -16.322 -3.446 16 HA LYS 633 HA LYS 633 11.289 -14.679 -1.752 17 HB2 LYS 633 2HB LYS 633 9.058 -13.874 -0.953 18 HB3 LYS 633 1HB LYS 633 9.227 -13.922 -2.703 19 HG2 LYS 633 2HG LYS 633 8.109 -16.232 -2.535 20 HG3 LYS 633 1HG LYS 633 7.631 -15.715 -0.917 21 HD2 LYS 633 2HD LYS 633 7.121 -13.693 -2.954 22 HD3 LYS 633 1HD LYS 633 6.260 -15.204 -3.253 23 HE2 LYS 633 2HE LYS 633 4.964 -13.596 -1.889 24 HE3 LYS 633 1HE LYS 633 5.261 -15.126 -1.064 25 HZ1 LYS 633 1HZ LYS 633 5.648 -13.351 0.459 26 HZ2 LYS 633 2HZ LYS 633 6.679 -12.557 -0.621 27 HZ3 LYS 633 3HZ LYS 633 7.151 -14.026 0.071 28 H THR 634 H THR 634 9.346 -17.511 -0.950 29 HA THR 634 HA THR 634 10.787 -18.070 1.370 30 HB THR 634 HB THR 634 8.326 -17.615 2.646 31 HG1 THR 634 1HG THR 634 7.639 -15.774 1.945 32 HG21 THR 634 1HG2 THR 634 10.294 -15.564 3.184 33 HG22 THR 634 2HG2 THR 634 10.988 -17.185 3.200 34 HG23 THR 634 3HG2 THR 634 9.623 -16.800 4.248 35 H LEU 635 H LEU 635 8.115 -18.538 -0.599 36 HA LEU 635 HA LEU 635 8.188 -21.263 -0.665 37 HB2 LEU 635 2HB LEU 635 7.563 -21.506 1.581 38 HB3 LEU 635 1HB LEU 635 6.369 -20.232 1.480 39 HG LEU 635 HG LEU 635 5.499 -22.615 1.661 40 HD11 LEU 635 1HD1 LEU 635 4.361 -21.495 -0.822 41 HD12 LEU 635 2HD1 LEU 635 4.396 -20.426 0.579 42 HD13 LEU 635 3HD1 LEU 635 3.568 -21.980 0.677 43 HD21 LEU 635 1HD2 LEU 635 5.298 -23.626 -0.738 44 HD22 LEU 635 2HD2 LEU 635 6.740 -23.924 0.232 45 HD23 LEU 635 3HD2 LEU 635 6.771 -22.705 -1.041 46 HA PRO 636 HA PRO 636 3.855 -19.745 -2.362 47 HB2 PRO 636 2HB PRO 636 4.346 -16.828 -2.308 48 HB3 PRO 636 1HB PRO 636 2.875 -17.728 -1.931 49 HG2 PRO 636 2HG PRO 636 4.382 -16.571 -0.023 50 HG3 PRO 636 1HG PRO 636 3.483 -18.071 0.255 51 HD2 PRO 636 2HD PRO 636 6.396 -17.656 -0.170 52 HD3 PRO 636 1HD PRO 636 5.556 -18.872 0.807 53 H ASP 637 H ASP 637 6.959 -18.278 -2.691 54 HA ASP 637 HA ASP 637 8.037 -17.325 -4.510 55 HB2 ASP 637 2HB ASP 637 8.960 -19.093 -5.773 56 HB3 ASP 637 1HB ASP 637 8.582 -19.768 -4.193 57 H GLN 638 H GLN 638 5.626 -16.327 -4.795 58 HA GLN 638 HA GLN 638 4.002 -15.590 -6.235 59 HB2 GLN 638 2HB GLN 638 4.959 -14.802 -8.413 60 HB3 GLN 638 1HB GLN 638 5.841 -14.270 -6.988 61 HG2 GLN 638 2HG GLN 638 7.558 -15.892 -7.367 62 HG3 GLN 638 1HG GLN 638 6.641 -16.622 -8.683 63 HE21 GLN 638 1HE2 GLN 638 6.260 -15.304 -10.584 64 HE22 GLN 638 2HE2 GLN 638 7.435 -14.124 -11.042 65 H GLY 639 H GLY 639 2.947 -17.746 -6.134 66 HA2 GLY 639 2HA GLY 639 2.819 -18.889 -8.849 67 HA3 GLY 639 1HA GLY 639 2.937 -19.946 -7.450 68 H ASP 640 H ASP 640 1.222 -18.670 -5.685 69 HA ASP 640 HA ASP 640 -1.347 -19.243 -6.963 70 HB2 ASP 640 2HB ASP 640 -0.731 -18.901 -4.021 71 HB3 ASP 640 1HB ASP 640 -2.226 -19.517 -4.719 72 H ASN 641 H ASN 641 -1.035 -17.074 -8.054 73 HA ASN 641 HA ASN 641 -1.731 -14.929 -8.349 74 HB2 ASN 641 2HB ASN 641 -3.760 -16.071 -7.068 75 HB3 ASN 641 1HB ASN 641 -3.285 -14.942 -5.802 76 HD21 ASN 641 1HD2 ASN 641 -3.754 -12.823 -6.012 77 HD22 ASN 641 2HD2 ASN 641 -4.621 -12.149 -7.345 78 H ASP 642 H ASP 642 0.361 -14.100 -7.983 79 HA ASP 642 HA ASP 642 1.401 -13.454 -5.445 80 HB2 ASP 642 2HB ASP 642 2.883 -11.872 -6.781 81 HB3 ASP 642 1HB ASP 642 2.941 -13.571 -7.241 82 H ASN 643 H ASN 643 -0.914 -11.895 -7.465 83 HA ASN 643 HA ASN 643 -0.708 -9.242 -6.663 84 HB2 ASN 643 2HB ASN 643 -3.046 -10.912 -7.552 85 HB3 ASN 643 1HB ASN 643 -3.225 -9.203 -7.163 86 HD21 ASN 643 1HD2 ASN 643 -3.191 -7.962 -8.878 87 HD22 ASN 643 2HD2 ASN 643 -2.267 -8.221 -10.314 88 H TRP 644 H TRP 644 -1.668 -11.960 -4.808 89 HA TRP 644 HA TRP 644 -3.554 -11.018 -3.063 90 HB2 TRP 644 2HB TRP 644 -2.792 -12.639 -1.485 91 HB3 TRP 644 1HB TRP 644 -2.509 -13.316 -3.086 92 HD1 TRP 644 HD TRP 644 0.158 -12.949 -3.986 93 HE1 TRP 644 1HE TRP 644 2.321 -13.250 -2.624 94 HE3 TRP 644 3HE TRP 644 -1.790 -12.548 0.721 95 HZ2 TRP 644 2HZ TRP 644 3.096 -13.313 0.091 96 HZ3 TRP 644 3HZ TRP 644 -0.272 -12.741 2.647 97 HH2 TRP 644 HH TRP 644 2.121 -13.116 2.336 98 H TRP 645 H TRP 645 -0.079 -10.369 -3.009 99 HA TRP 645 HA TRP 645 -0.601 -8.203 -1.092 100 HB2 TRP 645 2HB TRP 645 0.539 -10.341 -0.140 101 HB3 TRP 645 1HB TRP 645 1.967 -9.757 -0.990 102 HD1 TRP 645 HD TRP 645 -0.295 -7.146 0.573 103 HE1 TRP 645 1HE TRP 645 0.894 -6.109 2.606 104 HE3 TRP 645 3HE TRP 645 3.683 -10.341 0.906 105 HZ2 TRP 645 2HZ TRP 645 3.211 -6.582 4.147 106 HZ3 TRP 645 3HZ TRP 645 5.340 -9.979 2.688 107 HH2 TRP 645 HH TRP 645 5.108 -8.137 4.274 108 H THR 646 H THR 646 -0.022 -8.555 -4.119 109 HA THR 646 HA THR 646 1.689 -6.227 -4.287 110 HB THR 646 HB THR 646 3.232 -8.213 -4.313 111 HG1 THR 646 1HG THR 646 4.049 -6.437 -5.267 112 HG21 THR 646 1HG2 THR 646 1.417 -9.171 -6.280 113 HG22 THR 646 2HG2 THR 646 2.839 -9.960 -5.597 114 HG23 THR 646 3HG2 THR 646 2.999 -8.936 -7.023 115 H GLY 647 H GLY 647 -1.108 -7.125 -4.929 116 HA2 GLY 647 2HA GLY 647 -1.144 -6.036 -7.656 117 HA3 GLY 647 1HA GLY 647 -1.992 -7.542 -7.339 118 H TRP 648 H TRP 648 -3.953 -7.511 -6.292 119 HA TRP 648 HA TRP 648 -5.455 -5.124 -6.428 120 HB2 TRP 648 2HB TRP 648 -7.194 -6.463 -5.175 121 HB3 TRP 648 1HB TRP 648 -6.620 -7.191 -6.671 122 HD1 TRP 648 HD TRP 648 -5.196 -9.435 -6.483 123 HE1 TRP 648 1HE TRP 648 -4.893 -11.134 -4.574 124 HE3 TRP 648 3HE TRP 648 -7.038 -6.647 -2.613 125 HZ2 TRP 648 2HZ TRP 648 -5.371 -11.275 -1.796 126 HZ3 TRP 648 3HZ TRP 648 -7.080 -7.638 -0.362 127 HH2 TRP 648 HH TRP 648 -6.265 -9.905 0.037 128 H ARG 649 H ARG 649 -3.432 -6.455 -3.987 129 HA ARG 649 HA ARG 649 -4.591 -4.886 -1.845 130 HB2 ARG 649 2HB ARG 649 -3.222 -7.251 -1.881 131 HB3 ARG 649 1HB ARG 649 -1.947 -6.123 -1.447 132 HG2 ARG 649 2HG ARG 649 -3.285 -5.334 0.439 133 HG3 ARG 649 1HG ARG 649 -4.565 -6.468 0.002 134 HD2 ARG 649 2HD ARG 649 -2.099 -7.890 0.176 135 HD3 ARG 649 1HD ARG 649 -2.294 -6.917 1.634 136 HE ARG 649 HE ARG 649 -4.648 -8.399 0.903 137 HH11 ARG 649 1HH1 ARG 649 -1.624 -8.500 2.644 138 HH12 ARG 649 2HH1 ARG 649 -2.135 -9.767 3.707 139 HH21 ARG 649 1HH2 ARG 649 -5.321 -10.065 2.300 140 HH22 ARG 649 2HH2 ARG 649 -4.235 -10.657 3.512 141 H GLN 650 H GLN 650 -2.120 -4.720 -4.231 142 HA GLN 650 HA GLN 650 -0.763 -2.546 -2.907 143 HB2 GLN 650 2HB GLN 650 0.406 -4.420 -4.190 144 HB3 GLN 650 1HB GLN 650 -0.146 -3.611 -5.649 145 HG2 GLN 650 2HG GLN 650 1.001 -1.536 -4.413 146 HG3 GLN 650 1HG GLN 650 1.960 -2.847 -3.728 147 HE21 GLN 650 1HE2 GLN 650 2.999 -4.313 -5.241 148 HE22 GLN 650 2HE2 GLN 650 3.529 -3.708 -6.770 149 H TRP 651 H TRP 651 -2.932 -3.100 -5.584 150 HA TRP 651 HA TRP 651 -3.858 -0.444 -5.623 151 HB2 TRP 651 2HB TRP 651 -3.019 0.152 -7.924 152 HB3 TRP 651 1HB TRP 651 -1.795 0.175 -6.658 153 HD1 TRP 651 HD TRP 651 -0.124 -2.006 -6.592 154 HE1 TRP 651 1HE TRP 651 0.760 -3.453 -8.521 155 HE3 TRP 651 3HE TRP 651 -3.533 -0.737 -10.180 156 HZ2 TRP 651 2HZ TRP 651 0.110 -3.979 -11.220 157 HZ3 TRP 651 3HZ TRP 651 -3.330 -1.754 -12.412 158 HH2 TRP 651 HH TRP 651 -1.546 -3.341 -12.919 159 H ILE 652 H ILE 652 -5.558 -2.243 -5.431 160 HA ILE 652 HA ILE 652 -6.263 -3.752 -7.708 161 HB ILE 652 HB ILE 652 -7.099 -4.344 -5.493 162 HG12 ILE 652 2HG1 ILE 652 -9.463 -4.794 -6.140 163 HG13 ILE 652 1HG1 ILE 652 -9.252 -3.721 -7.519 164 HG21 ILE 652 1HG2 ILE 652 -9.081 -3.079 -4.599 165 HG22 ILE 652 2HG2 ILE 652 -8.667 -1.793 -5.732 166 HG23 ILE 652 3HG2 ILE 652 -7.527 -2.255 -4.469 167 HD11 ILE 652 1HD1 ILE 652 -8.588 -5.480 -8.681 168 HD12 ILE 652 2HD1 ILE 652 -8.568 -6.491 -7.236 169 HD13 ILE 652 3HD1 ILE 652 -7.145 -5.542 -7.669 170 HA PRO 653 HA PRO 653 -9.100 -0.192 -8.968 171 HB2 PRO 653 2HB PRO 653 -8.813 2.225 -7.717 172 HB3 PRO 653 1HB PRO 653 -9.879 0.941 -7.146 173 HG2 PRO 653 2HG PRO 653 -7.457 1.947 -5.932 174 HG3 PRO 653 1HG PRO 653 -8.607 0.765 -5.289 175 HD2 PRO 653 2HD PRO 653 -6.026 0.326 -6.628 176 HD3 PRO 653 1HD PRO 653 -6.966 -0.772 -5.604 177 H ALA 654 H ALA 654 -6.612 2.083 -7.881 178 HA ALA 654 HA ALA 654 -4.947 2.062 -10.108 179 HB1 ALA 654 1HB ALA 654 -6.470 2.831 -11.625 180 HB2 ALA 654 2HB ALA 654 -5.865 4.366 -11.004 181 HB3 ALA 654 3HB ALA 654 -7.394 3.718 -10.413 182 H GLY 655 H GLY 655 -3.904 2.201 -7.974 183 HA2 GLY 655 2HA GLY 655 -2.217 3.654 -7.104 184 HA3 GLY 655 1HA GLY 655 -3.287 5.014 -7.406 185 H ILE 656 H ILE 656 -3.902 1.928 -5.748 186 HA ILE 656 HA ILE 656 -5.238 3.268 -3.602 187 HB ILE 656 HB ILE 656 -5.539 0.812 -4.530 188 HG12 ILE 656 2HG1 ILE 656 -5.881 0.580 -1.681 189 HG13 ILE 656 1HG1 ILE 656 -6.325 2.200 -2.205 190 HG21 ILE 656 1HG2 ILE 656 -3.085 0.418 -3.632 191 HG22 ILE 656 2HG2 ILE 656 -4.300 -0.859 -3.605 192 HG23 ILE 656 3HG2 ILE 656 -3.952 0.062 -2.140 193 HD11 ILE 656 1HD1 ILE 656 -8.148 1.484 -3.306 194 HD12 ILE 656 2HD1 ILE 656 -8.012 0.122 -2.194 195 HD13 ILE 656 3HD1 ILE 656 -7.378 -0.011 -3.834 196 H GLY 657 H GLY 657 -2.002 2.460 -4.302 197 HA2 GLY 657 2HA GLY 657 -1.202 2.801 -1.489 198 HA3 GLY 657 1HA GLY 657 -0.210 2.058 -2.739 199 H VAL 658 H VAL 658 -0.841 4.021 -4.736 200 HA VAL 658 HA VAL 658 1.088 6.034 -3.994 201 HB VAL 658 HB VAL 658 1.089 4.978 -6.243 202 HG11 VAL 658 1HG1 VAL 658 -0.734 4.827 -7.501 203 HG12 VAL 658 2HG1 VAL 658 -0.954 6.576 -7.466 204 HG13 VAL 658 3HG1 VAL 658 -1.651 5.576 -6.196 205 HG21 VAL 658 1HG2 VAL 658 0.558 7.795 -6.903 206 HG22 VAL 658 2HG2 VAL 658 2.002 6.817 -7.168 207 HG23 VAL 658 3HG2 VAL 658 1.698 7.529 -5.583 208 H THR 659 H THR 659 -2.355 5.757 -4.423 209 HA THR 659 HA THR 659 -2.651 8.576 -3.632 210 HB THR 659 HB THR 659 -4.400 6.999 -5.530 211 HG1 THR 659 1HG THR 659 -2.418 7.896 -6.368 212 HG21 THR 659 1HG2 THR 659 -4.728 9.894 -4.819 213 HG22 THR 659 2HG2 THR 659 -5.650 8.605 -4.044 214 HG23 THR 659 3HG2 THR 659 -5.796 8.873 -5.781 215 H GLY 660 H GLY 660 -3.556 5.269 -3.143 216 HA2 GLY 660 2HA GLY 660 -5.830 5.886 -1.472 217 HA3 GLY 660 1HA GLY 660 -5.133 4.294 -1.746 218 H VAL 661 H VAL 661 -2.516 4.741 -0.977 219 HA VAL 661 HA VAL 661 -2.804 4.764 1.901 220 HB VAL 661 HB VAL 661 -0.398 4.253 0.143 221 HG11 VAL 661 1HG1 VAL 661 0.624 4.975 2.080 222 HG12 VAL 661 2HG1 VAL 661 0.449 3.250 2.403 223 HG13 VAL 661 3HG1 VAL 661 -0.684 4.400 3.112 224 HG21 VAL 661 1HG2 VAL 661 -2.487 2.635 0.435 225 HG22 VAL 661 2HG2 VAL 661 -1.605 2.187 1.894 226 HG23 VAL 661 3HG2 VAL 661 -0.836 2.027 0.316 227 H VAL 662 H VAL 662 -0.591 6.367 -0.366 228 HA VAL 662 HA VAL 662 0.610 8.198 1.217 229 HB VAL 662 HB VAL 662 -0.369 8.482 -1.611 230 HG11 VAL 662 1HG1 VAL 662 1.389 10.389 -0.061 231 HG12 VAL 662 2HG1 VAL 662 -0.196 10.736 -0.750 232 HG13 VAL 662 3HG1 VAL 662 1.177 10.420 -1.812 233 HG21 VAL 662 1HG2 VAL 662 2.093 7.528 -0.280 234 HG22 VAL 662 2HG2 VAL 662 2.302 8.446 -1.771 235 HG23 VAL 662 3HG2 VAL 662 1.319 6.982 -1.768 236 H ILE 663 H ILE 663 -2.670 8.320 0.033 237 HA ILE 663 HA ILE 663 -3.123 11.022 0.868 238 HB ILE 663 HB ILE 663 -4.311 9.577 -0.958 239 HG12 ILE 663 2HG1 ILE 663 -6.038 11.397 0.713 240 HG13 ILE 663 1HG1 ILE 663 -4.691 12.007 -0.244 241 HG21 ILE 663 1HG2 ILE 663 -6.251 8.444 -0.382 242 HG22 ILE 663 2HG2 ILE 663 -6.343 9.206 1.207 243 HG23 ILE 663 3HG2 ILE 663 -5.121 7.976 0.888 244 HD11 ILE 663 1HD1 ILE 663 -5.735 11.132 -2.266 245 HD12 ILE 663 2HD1 ILE 663 -6.797 12.256 -1.420 246 HD13 ILE 663 3HD1 ILE 663 -7.081 10.519 -1.306 247 H ALA 664 H ALA 664 -3.666 7.830 2.215 248 HA ALA 664 HA ALA 664 -5.154 8.828 4.478 249 HB1 ALA 664 1HB ALA 664 -5.684 6.680 4.874 250 HB2 ALA 664 2HB ALA 664 -4.023 6.125 4.660 251 HB3 ALA 664 3HB ALA 664 -5.048 6.405 3.252 252 H VAL 665 H VAL 665 -1.843 8.189 3.672 253 HA VAL 665 HA VAL 665 -0.952 8.144 6.430 254 HB VAL 665 HB VAL 665 1.220 7.739 5.629 255 HG11 VAL 665 1HG1 VAL 665 -0.026 6.428 3.316 256 HG12 VAL 665 2HG1 VAL 665 -0.823 6.129 4.862 257 HG13 VAL 665 3HG1 VAL 665 0.885 5.741 4.661 258 HG21 VAL 665 1HG2 VAL 665 0.306 8.881 2.996 259 HG22 VAL 665 2HG2 VAL 665 1.838 8.036 3.215 260 HG23 VAL 665 3HG2 VAL 665 1.523 9.535 4.091 261 H ILE 666 H ILE 666 -0.875 10.303 3.659 262 HA ILE 666 HA ILE 666 0.591 12.388 4.913 263 HB ILE 666 HB ILE 666 -1.162 12.258 2.471 264 HG12 ILE 666 2HG1 ILE 666 1.822 12.617 2.848 265 HG13 ILE 666 1HG1 ILE 666 1.019 11.140 2.328 266 HG21 ILE 666 1HG2 ILE 666 0.263 14.643 3.625 267 HG22 ILE 666 2HG2 ILE 666 -1.438 14.492 3.187 268 HG23 ILE 666 3HG2 ILE 666 -0.204 14.539 1.928 269 HD11 ILE 666 1HD1 ILE 666 0.221 12.348 0.319 270 HD12 ILE 666 2HD1 ILE 666 1.977 12.227 0.427 271 HD13 ILE 666 3HD1 ILE 666 1.171 13.743 0.831 272 H ALA 667 H ALA 667 -2.815 11.622 4.515 273 HA ALA 667 HA ALA 667 -4.143 13.879 5.135 274 HB1 ALA 667 1HB ALA 667 -5.204 11.773 6.782 275 HB2 ALA 667 2HB ALA 667 -4.700 11.147 5.211 276 HB3 ALA 667 3HB ALA 667 -5.854 12.477 5.301 277 H LEU 668 H LEU 668 -2.229 11.954 7.364 278 HA LEU 668 HA LEU 668 -2.995 13.533 9.653 279 HB2 LEU 668 2HB LEU 668 -2.566 11.170 9.947 280 HB3 LEU 668 1HB LEU 668 -0.959 11.344 9.266 281 HG LEU 668 HG LEU 668 -0.112 12.368 11.173 282 HD11 LEU 668 1HD1 LEU 668 -1.835 14.091 11.370 283 HD12 LEU 668 2HD1 LEU 668 -1.482 13.355 12.937 284 HD13 LEU 668 3HD1 LEU 668 -2.944 12.905 12.059 285 HD21 LEU 668 1HD2 LEU 668 -2.018 10.837 12.773 286 HD22 LEU 668 2HD2 LEU 668 -0.273 10.651 12.599 287 HD23 LEU 668 3HD2 LEU 668 -1.360 9.948 11.400 288 H PHE 669 H PHE 669 0.146 12.764 8.140 289 HA PHE 669 HA PHE 669 1.665 14.708 9.387 290 HB2 PHE 669 2HB PHE 669 2.069 12.817 7.374 291 HB3 PHE 669 1HB PHE 669 2.470 14.354 6.615 292 HD1 PHE 669 1HD PHE 669 4.743 14.642 6.549 293 HD2 PHE 669 2HD PHE 669 2.978 12.979 10.046 294 HE1 PHE 669 1HE PHE 669 6.950 14.600 7.638 295 HE2 PHE 669 2HE PHE 669 5.181 12.934 11.142 296 HZ PHE 669 HZ PHE 669 7.170 13.746 9.938 297 H ALA 670 H ALA 670 -0.617 15.015 6.813 298 HA ALA 670 HA ALA 670 0.233 17.530 5.820 299 HB1 ALA 670 1HB ALA 670 -1.290 15.818 4.688 300 HB2 ALA 670 2HB ALA 670 -1.727 17.522 4.532 301 HB3 ALA 670 3HB ALA 670 -2.583 16.495 5.681 302 H ILE 671 H ILE 671 -1.632 16.548 8.591 303 HA ILE 671 HA ILE 671 -2.766 19.181 8.989 304 HB ILE 671 HB ILE 671 -2.789 16.864 10.906 305 HG12 ILE 671 2HG1 ILE 671 -5.067 17.564 9.076 306 HG13 ILE 671 1HG1 ILE 671 -3.783 16.491 8.530 307 HG21 ILE 671 1HG2 ILE 671 -4.313 19.434 10.707 308 HG22 ILE 671 2HG2 ILE 671 -3.390 18.795 12.067 309 HG23 ILE 671 3HG2 ILE 671 -4.929 18.059 11.623 310 HD11 ILE 671 1HD1 ILE 671 -4.540 14.777 9.749 311 HD12 ILE 671 2HD1 ILE 671 -6.045 15.695 9.787 312 HD13 ILE 671 3HD1 ILE 671 -4.915 15.797 11.137 313 H ALA 672 H ALA 672 -0.201 17.198 10.248 314 HA ALA 672 HA ALA 672 0.502 18.706 12.496 315 HB1 ALA 672 1HB ALA 672 1.331 16.464 12.021 316 HB2 ALA 672 2HB ALA 672 2.658 17.592 12.308 317 HB3 ALA 672 3HB ALA 672 2.256 17.098 10.661 318 H LYS 673 H LYS 673 1.187 19.092 9.109 319 HA LYS 673 HA LYS 673 3.045 21.268 9.597 320 HB2 LYS 673 2HB LYS 673 2.904 21.332 6.965 321 HB3 LYS 673 1HB LYS 673 3.859 20.112 7.793 322 HG2 LYS 673 2HG LYS 673 2.630 18.455 6.968 323 HG3 LYS 673 1HG LYS 673 1.119 19.255 7.401 324 HD2 LYS 673 2HD LYS 673 0.879 19.316 5.150 325 HD3 LYS 673 1HD LYS 673 1.822 20.795 5.344 326 HE2 LYS 673 2HE LYS 673 3.789 18.930 5.159 327 HE3 LYS 673 1HE LYS 673 2.554 18.229 4.115 328 HZ1 LYS 673 1HZ LYS 673 3.637 20.984 3.876 329 HZ2 LYS 673 2HZ LYS 673 2.483 20.281 2.859 330 HZ3 LYS 673 3HZ LYS 673 4.063 19.676 2.892 331 H PHE 674 H PHE 674 -0.286 20.805 9.048 332 HA PHE 674 HA PHE 674 -0.706 23.486 7.991 333 HB2 PHE 674 2HB PHE 674 -2.010 21.257 7.422 334 HB3 PHE 674 1HB PHE 674 -2.952 21.713 8.836 335 HD1 PHE 674 1HD PHE 674 -3.649 24.301 8.823 336 HD2 PHE 674 2HD PHE 674 -2.785 21.948 5.385 337 HE1 PHE 674 1HE PHE 674 -4.978 25.841 7.441 338 HE2 PHE 674 2HE PHE 674 -4.113 23.484 3.995 339 HZ PHE 674 HZ PHE 674 -5.211 25.434 5.023 340 H VAL 675 H VAL 675 -1.128 21.661 10.963 341 HA VAL 675 HA VAL 675 -2.386 23.964 12.256 342 HB VAL 675 HB VAL 675 -1.838 21.221 13.392 343 HG11 VAL 675 1HG1 VAL 675 -3.791 22.105 14.921 344 HG12 VAL 675 2HG1 VAL 675 -3.142 23.677 14.455 345 HG13 VAL 675 3HG1 VAL 675 -2.109 22.503 15.272 346 HG21 VAL 675 1HG2 VAL 675 -4.546 22.210 12.616 347 HG22 VAL 675 2HG2 VAL 675 -3.965 20.555 12.795 348 HG23 VAL 675 3HG2 VAL 675 -3.482 21.513 11.395 349 H PHE 676 H PHE 676 0.694 22.605 11.840 350 HA PHE 676 HA PHE 676 1.726 24.288 14.023 351 HB2 PHE 676 2HB PHE 676 3.033 21.676 13.292 352 HB3 PHE 676 1HB PHE 676 3.288 22.664 14.723 353 HD1 PHE 676 1HD PHE 676 0.577 20.746 13.018 354 HD2 PHE 676 2HD PHE 676 2.306 22.019 16.693 355 HE1 PHE 676 1HE PHE 676 -1.045 19.369 14.254 356 HE2 PHE 676 2HE PHE 676 0.685 20.647 17.935 357 HZ PHE 676 HZ PHE 676 -0.992 19.319 16.716 Start of MODEL 5 1 H1 GLY 630 1HT GLY 630 7.679 -25.478 -5.237 2 H2 GLY 630 2HT GLY 630 7.997 -25.936 -3.640 3 H3 GLY 630 3HT GLY 630 9.270 -25.491 -4.660 4 HA2 GLY 630 HA2 GLY 630 7.750 -23.298 -4.799 5 HA3 GLY 630 HA3 GLY 630 7.428 -23.835 -3.157 6 H SER 631 H SER 631 8.565 -21.505 -3.210 7 HA SER 631 HA SER 631 11.450 -21.959 -2.835 8 HB2 SER 631 2HB SER 631 9.929 -19.772 -4.054 9 HB3 SER 631 1HB SER 631 11.126 -19.220 -2.882 10 HG SER 631 HG SER 631 11.770 -21.095 -4.894 11 H ASP 632 H ASP 632 8.613 -20.300 -1.491 12 HA ASP 632 HA ASP 632 9.828 -20.549 1.146 13 HB2 ASP 632 2HB ASP 632 10.298 -18.270 0.445 14 HB3 ASP 632 1HB ASP 632 8.592 -18.014 0.107 15 H LYS 633 H LYS 633 7.006 -18.637 0.756 16 HA LYS 633 HA LYS 633 5.427 -20.021 2.530 17 HB2 LYS 633 2HB LYS 633 3.494 -18.855 1.447 18 HB3 LYS 633 1HB LYS 633 4.829 -17.797 1.883 19 HG2 LYS 633 2HG LYS 633 5.605 -18.072 -0.534 20 HG3 LYS 633 1HG LYS 633 3.999 -18.737 -0.839 21 HD2 LYS 633 2HD LYS 633 3.956 -16.395 -1.356 22 HD3 LYS 633 1HD LYS 633 3.027 -16.654 0.122 23 HE2 LYS 633 2HE LYS 633 5.631 -16.199 0.993 24 HE3 LYS 633 1HE LYS 633 5.391 -15.045 -0.318 25 HZ1 LYS 633 1HZ LYS 633 3.872 -13.895 0.854 26 HZ2 LYS 633 2HZ LYS 633 4.644 -14.591 2.189 27 HZ3 LYS 633 3HZ LYS 633 3.214 -15.269 1.592 28 H THR 634 H THR 634 5.637 -20.427 -0.977 29 HA THR 634 HA THR 634 4.919 -23.129 -0.867 30 HB THR 634 HB THR 634 2.756 -22.296 -2.443 31 HG1 THR 634 1HG THR 634 2.459 -21.123 0.091 32 HG21 THR 634 1HG2 THR 634 1.424 -23.548 -1.032 33 HG22 THR 634 2HG2 THR 634 2.408 -23.184 0.386 34 HG23 THR 634 3HG2 THR 634 3.011 -24.293 -0.845 35 H LEU 635 H LEU 635 5.461 -20.314 -2.620 36 HA LEU 635 HA LEU 635 7.103 -21.424 -4.513 37 HB2 LEU 635 2HB LEU 635 5.366 -22.614 -5.539 38 HB3 LEU 635 1HB LEU 635 4.243 -21.282 -5.391 39 HG LEU 635 HG LEU 635 5.092 -21.816 -7.725 40 HD11 LEU 635 1HD1 LEU 635 4.717 -19.679 -8.379 41 HD12 LEU 635 2HD1 LEU 635 5.793 -18.995 -7.161 42 HD13 LEU 635 3HD1 LEU 635 4.178 -19.537 -6.707 43 HD21 LEU 635 1HD2 LEU 635 7.363 -22.190 -7.553 44 HD22 LEU 635 2HD2 LEU 635 7.615 -20.837 -6.451 45 HD23 LEU 635 3HD2 LEU 635 7.310 -20.536 -8.161 46 HA PRO 636 HA PRO 636 5.778 -16.955 -5.989 47 HB2 PRO 636 2HB PRO 636 4.283 -16.116 -3.577 48 HB3 PRO 636 1HB PRO 636 3.945 -15.790 -5.279 49 HG2 PRO 636 2HG PRO 636 2.486 -17.530 -3.835 50 HG3 PRO 636 1HG PRO 636 2.791 -17.754 -5.567 51 HD2 PRO 636 2HD PRO 636 3.991 -19.153 -3.232 52 HD3 PRO 636 1HD PRO 636 3.649 -19.759 -4.861 53 H ASP 637 H ASP 637 6.382 -18.085 -2.780 54 HA ASP 637 HA ASP 637 7.597 -17.200 -1.022 55 HB2 ASP 637 2HB ASP 637 9.852 -17.691 -1.411 56 HB3 ASP 637 1HB ASP 637 8.979 -18.687 -2.567 57 H GLN 638 H GLN 638 6.260 -15.092 -2.146 58 HA GLN 638 HA GLN 638 6.265 -12.823 -2.467 59 HB2 GLN 638 2HB GLN 638 7.410 -11.631 -0.592 60 HB3 GLN 638 1HB GLN 638 6.346 -12.937 -0.090 61 HG2 GLN 638 2HG GLN 638 8.239 -14.390 0.281 62 HG3 GLN 638 1HG GLN 638 9.340 -13.148 -0.312 63 HE21 GLN 638 1HE2 GLN 638 8.538 -10.907 0.883 64 HE22 GLN 638 2HE2 GLN 638 8.645 -11.041 2.602 65 H GLY 639 H GLY 639 7.172 -12.424 -4.451 66 HA2 GLY 639 2HA GLY 639 9.252 -10.737 -4.767 67 HA3 GLY 639 1HA GLY 639 10.045 -12.306 -4.772 68 H ASP 640 H ASP 640 7.825 -13.665 -6.061 69 HA ASP 640 HA ASP 640 8.180 -12.589 -8.778 70 HB2 ASP 640 2HB ASP 640 8.127 -15.364 -7.689 71 HB3 ASP 640 1HB ASP 640 7.486 -15.102 -9.308 72 H ASN 641 H ASN 641 5.878 -13.512 -6.371 73 HA ASN 641 HA ASN 641 3.734 -12.580 -8.089 74 HB2 ASN 641 2HB ASN 641 4.069 -15.380 -7.226 75 HB3 ASN 641 1HB ASN 641 2.457 -14.711 -6.992 76 HD21 ASN 641 1HD2 ASN 641 1.645 -13.455 -8.955 77 HD22 ASN 641 2HD2 ASN 641 1.888 -14.214 -10.488 78 H ASP 642 H ASP 642 5.192 -11.870 -5.491 79 HA ASP 642 HA ASP 642 3.448 -12.171 -3.321 80 HB2 ASP 642 2HB ASP 642 5.922 -11.141 -3.593 81 HB3 ASP 642 1HB ASP 642 4.996 -9.646 -3.496 82 H ASN 643 H ASN 643 3.289 -10.129 -6.088 83 HA ASN 643 HA ASN 643 1.772 -7.991 -5.176 84 HB2 ASN 643 2HB ASN 643 1.731 -9.387 -7.855 85 HB3 ASN 643 1HB ASN 643 0.959 -7.837 -7.536 86 HD21 ASN 643 1HD2 ASN 643 3.979 -9.526 -7.865 87 HD22 ASN 643 2HD2 ASN 643 4.977 -8.125 -8.028 88 H TRP 644 H TRP 644 0.866 -11.297 -5.528 89 HA TRP 644 HA TRP 644 -1.814 -11.229 -6.092 90 HB2 TRP 644 2HB TRP 644 -2.018 -13.332 -5.009 91 HB3 TRP 644 1HB TRP 644 -0.375 -13.266 -5.636 92 HD1 TRP 644 HD TRP 644 1.503 -12.405 -3.654 93 HE1 TRP 644 1HE TRP 644 1.646 -13.215 -1.216 94 HE3 TRP 644 3HE TRP 644 -3.241 -14.233 -3.131 95 HZ2 TRP 644 2HZ TRP 644 -0.032 -14.465 0.680 96 HZ3 TRP 644 3HZ TRP 644 -3.893 -15.220 -0.973 97 HH2 TRP 644 HH TRP 644 -2.321 -15.334 0.891 98 H TRP 645 H TRP 645 -0.225 -10.133 -3.204 99 HA TRP 645 HA TRP 645 -2.737 -9.022 -2.259 100 HB2 TRP 645 2HB TRP 645 -1.740 -11.408 -1.154 101 HB3 TRP 645 1HB TRP 645 -1.358 -10.149 0.015 102 HD1 TRP 645 HD TRP 645 -3.750 -12.568 -0.009 103 HE1 TRP 645 1HE TRP 645 -6.092 -11.807 0.740 104 HE3 TRP 645 3HE TRP 645 -3.209 -7.525 -0.651 105 HZ2 TRP 645 2HZ TRP 645 -7.521 -9.389 1.022 106 HZ3 TRP 645 3HZ TRP 645 -5.111 -6.058 -0.119 107 HH2 TRP 645 HH TRP 645 -7.222 -6.972 0.700 108 H THR 646 H THR 646 -0.037 -8.138 -3.296 109 HA THR 646 HA THR 646 0.294 -5.966 -1.444 110 HB THR 646 HB THR 646 1.696 -7.868 -0.509 111 HG1 THR 646 1HG THR 646 2.600 -6.194 0.337 112 HG21 THR 646 1HG2 THR 646 2.714 -7.977 -3.127 113 HG22 THR 646 2HG2 THR 646 3.227 -8.899 -1.714 114 HG23 THR 646 3HG2 THR 646 4.004 -7.362 -2.095 115 H GLY 647 H GLY 647 -0.321 -6.505 -4.319 116 HA2 GLY 647 2HA GLY 647 1.571 -4.543 -5.404 117 HA3 GLY 647 1HA GLY 647 1.357 -6.057 -6.270 118 H TRP 648 H TRP 648 -0.460 -6.382 -7.498 119 HA TRP 648 HA TRP 648 -1.771 -4.111 -8.507 120 HB2 TRP 648 2HB TRP 648 -3.231 -5.740 -9.695 121 HB3 TRP 648 1HB TRP 648 -1.513 -6.074 -9.885 122 HD1 TRP 648 HD TRP 648 -0.557 -8.291 -8.741 123 HE1 TRP 648 1HE TRP 648 -1.719 -10.421 -7.885 124 HE3 TRP 648 3HE TRP 648 -5.368 -6.571 -8.553 125 HZ2 TRP 648 2HZ TRP 648 -4.330 -11.262 -7.217 126 HZ3 TRP 648 3HZ TRP 648 -7.139 -8.102 -7.796 127 HH2 TRP 648 HH TRP 648 -6.629 -10.399 -7.142 128 H ARG 649 H ARG 649 -2.433 -6.060 -5.762 129 HA ARG 649 HA ARG 649 -5.219 -5.330 -5.596 130 HB2 ARG 649 2HB ARG 649 -3.403 -7.169 -4.185 131 HB3 ARG 649 1HB ARG 649 -4.625 -6.415 -3.170 132 HG2 ARG 649 2HG ARG 649 -6.344 -7.202 -4.811 133 HG3 ARG 649 1HG ARG 649 -5.064 -8.121 -5.605 134 HD2 ARG 649 2HD ARG 649 -4.619 -9.115 -3.277 135 HD3 ARG 649 1HD ARG 649 -6.206 -8.474 -2.853 136 HE ARG 649 HE ARG 649 -6.666 -9.880 -5.129 137 HH11 ARG 649 1HH1 ARG 649 -5.173 -10.657 -2.072 138 HH12 ARG 649 2HH1 ARG 649 -5.636 -12.325 -2.128 139 HH21 ARG 649 1HH2 ARG 649 -7.276 -12.072 -5.204 140 HH22 ARG 649 2HH2 ARG 649 -6.830 -13.128 -3.906 141 H GLN 650 H GLN 650 -2.226 -4.019 -4.740 142 HA GLN 650 HA GLN 650 -3.065 -2.645 -2.396 143 HB2 GLN 650 2HB GLN 650 -0.639 -2.693 -4.094 144 HB3 GLN 650 1HB GLN 650 -0.899 -1.252 -3.122 145 HG2 GLN 650 2HG GLN 650 -1.360 -3.289 -1.339 146 HG3 GLN 650 1HG GLN 650 -0.043 -3.914 -2.331 147 HE21 GLN 650 1HE2 GLN 650 1.446 -3.781 -0.671 148 HE22 GLN 650 2HE2 GLN 650 2.065 -2.274 -0.095 149 H TRP 651 H TRP 651 -3.590 -2.130 -5.712 150 HA TRP 651 HA TRP 651 -4.907 0.366 -5.182 151 HB2 TRP 651 2HB TRP 651 -3.603 1.603 -6.961 152 HB3 TRP 651 1HB TRP 651 -2.745 1.313 -5.451 153 HD1 TRP 651 HD TRP 651 -1.347 -1.304 -5.689 154 HE1 TRP 651 1HE TRP 651 0.326 -1.871 -7.561 155 HE3 TRP 651 3HE TRP 651 -2.826 2.136 -9.169 156 HZ2 TRP 651 2HZ TRP 651 0.939 -0.978 -10.167 157 HZ3 TRP 651 3HZ TRP 651 -1.644 2.215 -11.326 158 HH2 TRP 651 HH TRP 651 0.199 0.690 -11.813 159 H ILE 652 H ILE 652 -6.106 -1.894 -6.008 160 HA ILE 652 HA ILE 652 -6.244 -2.194 -8.834 161 HB ILE 652 HB ILE 652 -8.545 -2.896 -7.037 162 HG12 ILE 652 2HG1 ILE 652 -6.533 -4.999 -7.445 163 HG13 ILE 652 1HG1 ILE 652 -6.002 -3.691 -6.397 164 HG21 ILE 652 1HG2 ILE 652 -7.553 -3.668 -9.705 165 HG22 ILE 652 2HG2 ILE 652 -9.204 -3.496 -9.109 166 HG23 ILE 652 3HG2 ILE 652 -8.275 -4.946 -8.727 167 HD11 ILE 652 1HD1 ILE 652 -7.952 -5.806 -5.922 168 HD12 ILE 652 2HD1 ILE 652 -8.488 -4.202 -5.421 169 HD13 ILE 652 3HD1 ILE 652 -6.985 -4.870 -4.783 170 HA PRO 653 HA PRO 653 -10.107 0.616 -8.581 171 HB2 PRO 653 2HB PRO 653 -10.854 1.721 -6.275 172 HB3 PRO 653 1HB PRO 653 -11.218 0.026 -6.630 173 HG2 PRO 653 2HG PRO 653 -9.060 1.187 -4.917 174 HG3 PRO 653 1HG PRO 653 -10.083 -0.228 -4.619 175 HD2 PRO 653 2HD PRO 653 -7.501 -0.324 -5.593 176 HD3 PRO 653 1HD PRO 653 -8.710 -1.604 -5.803 177 H ALA 654 H ALA 654 -7.053 1.410 -7.641 178 HA ALA 654 HA ALA 654 -5.791 3.296 -7.819 179 HB1 ALA 654 1HB ALA 654 -7.106 3.601 -9.922 180 HB2 ALA 654 2HB ALA 654 -6.546 5.105 -9.190 181 HB3 ALA 654 3HB ALA 654 -8.229 4.610 -9.010 182 H GLY 655 H GLY 655 -5.608 3.562 -5.605 183 HA2 GLY 655 2HA GLY 655 -5.600 5.332 -3.973 184 HA3 GLY 655 1HA GLY 655 -7.216 5.768 -4.504 185 H ILE 656 H ILE 656 -5.765 2.675 -3.520 186 HA ILE 656 HA ILE 656 -7.909 2.405 -1.512 187 HB ILE 656 HB ILE 656 -7.971 0.756 -3.370 188 HG12 ILE 656 2HG1 ILE 656 -8.073 -1.274 -1.880 189 HG13 ILE 656 1HG1 ILE 656 -7.402 -0.282 -0.588 190 HG21 ILE 656 1HG2 ILE 656 -5.358 0.744 -3.364 191 HG22 ILE 656 2HG2 ILE 656 -6.263 -0.690 -3.852 192 HG23 ILE 656 3HG2 ILE 656 -5.577 -0.587 -2.229 193 HD11 ILE 656 1HD1 ILE 656 -9.810 -0.478 -0.386 194 HD12 ILE 656 2HD1 ILE 656 -10.014 0.190 -2.006 195 HD13 ILE 656 3HD1 ILE 656 -9.344 1.191 -0.717 196 H GLY 657 H GLY 657 -4.476 1.852 -2.186 197 HA2 GLY 657 2HA GLY 657 -3.979 1.895 0.712 198 HA3 GLY 657 1HA GLY 657 -3.273 0.620 -0.271 199 H VAL 658 H VAL 658 -2.201 1.627 -2.362 200 HA VAL 658 HA VAL 658 0.057 3.052 -1.504 201 HB VAL 658 HB VAL 658 -0.270 1.592 -3.617 202 HG11 VAL 658 1HG1 VAL 658 -2.139 2.969 -4.515 203 HG12 VAL 658 2HG1 VAL 658 -0.822 2.711 -5.659 204 HG13 VAL 658 3HG1 VAL 658 -0.977 4.258 -4.827 205 HG21 VAL 658 1HG2 VAL 658 1.377 3.365 -4.839 206 HG22 VAL 658 2HG2 VAL 658 1.875 2.265 -3.553 207 HG23 VAL 658 3HG2 VAL 658 1.448 3.933 -3.171 208 H THR 659 H THR 659 -2.930 4.043 -3.035 209 HA THR 659 HA THR 659 -2.217 6.857 -2.552 210 HB THR 659 HB THR 659 -3.915 5.643 -4.738 211 HG1 THR 659 1HG THR 659 -1.663 7.352 -4.883 212 HG21 THR 659 1HG2 THR 659 -3.476 8.581 -4.282 213 HG22 THR 659 2HG2 THR 659 -4.959 7.728 -3.854 214 HG23 THR 659 3HG2 THR 659 -4.448 7.817 -5.539 215 H GLY 660 H GLY 660 -4.365 4.271 -1.883 216 HA2 GLY 660 2HA GLY 660 -6.580 5.926 -1.056 217 HA3 GLY 660 1HA GLY 660 -6.437 4.183 -0.865 218 H VAL 661 H VAL 661 -4.153 3.922 0.586 219 HA VAL 661 HA VAL 661 -5.027 4.811 3.196 220 HB VAL 661 HB VAL 661 -2.726 3.041 2.355 221 HG11 VAL 661 1HG1 VAL 661 -2.060 4.119 4.385 222 HG12 VAL 661 2HG1 VAL 661 -2.571 2.479 4.785 223 HG13 VAL 661 3HG1 VAL 661 -3.642 3.841 5.113 224 HG21 VAL 661 1HG2 VAL 661 -4.931 2.033 4.032 225 HG22 VAL 661 2HG2 VAL 661 -4.076 1.264 2.695 226 HG23 VAL 661 3HG2 VAL 661 -5.351 2.437 2.367 227 H VAL 662 H VAL 662 -1.944 4.899 1.447 228 HA VAL 662 HA VAL 662 -0.430 6.521 2.979 229 HB VAL 662 HB VAL 662 -0.689 6.525 -0.019 230 HG11 VAL 662 1HG1 VAL 662 1.429 7.650 -0.166 231 HG12 VAL 662 2HG1 VAL 662 1.617 7.632 1.587 232 HG13 VAL 662 3HG1 VAL 662 0.366 8.630 0.846 233 HG21 VAL 662 1HG2 VAL 662 -0.036 4.399 1.047 234 HG22 VAL 662 2HG2 VAL 662 1.348 5.213 1.776 235 HG23 VAL 662 3HG2 VAL 662 1.234 5.067 0.022 236 H ILE 663 H ILE 663 -3.114 7.490 0.977 237 HA ILE 663 HA ILE 663 -2.602 10.299 1.227 238 HB ILE 663 HB ILE 663 -3.871 8.934 -0.616 239 HG12 ILE 663 2HG1 ILE 663 -4.756 11.678 0.300 240 HG13 ILE 663 1HG1 ILE 663 -3.354 11.330 -0.708 241 HG21 ILE 663 1HG2 ILE 663 -6.271 9.883 0.894 242 HG22 ILE 663 2HG2 ILE 663 -5.618 8.266 1.155 243 HG23 ILE 663 3HG2 ILE 663 -6.173 8.744 -0.449 244 HD11 ILE 663 1HD1 ILE 663 -5.573 12.141 -1.782 245 HD12 ILE 663 2HD1 ILE 663 -6.058 10.456 -1.601 246 HD13 ILE 663 3HD1 ILE 663 -4.633 10.865 -2.556 247 H ALA 664 H ALA 664 -4.624 7.938 2.853 248 HA ALA 664 HA ALA 664 -6.055 9.924 4.380 249 HB1 ALA 664 1HB ALA 664 -6.644 7.642 5.654 250 HB2 ALA 664 2HB ALA 664 -6.122 6.984 4.104 251 HB3 ALA 664 3HB ALA 664 -7.443 8.151 4.167 252 H VAL 665 H VAL 665 -3.194 7.972 4.772 253 HA VAL 665 HA VAL 665 -3.031 8.431 7.620 254 HB VAL 665 HB VAL 665 -2.174 6.334 6.977 255 HG11 VAL 665 1HG1 VAL 665 -1.677 6.088 4.810 256 HG12 VAL 665 2HG1 VAL 665 -0.055 6.610 5.262 257 HG13 VAL 665 3HG1 VAL 665 -1.212 7.779 4.632 258 HG21 VAL 665 1HG2 VAL 665 -0.123 6.347 7.972 259 HG22 VAL 665 2HG2 VAL 665 -0.690 7.955 8.425 260 HG23 VAL 665 3HG2 VAL 665 0.423 7.762 7.073 261 H ILE 666 H ILE 666 -1.619 9.635 4.655 262 HA ILE 666 HA ILE 666 0.327 11.309 5.930 263 HB ILE 666 HB ILE 666 -0.743 11.103 3.125 264 HG12 ILE 666 2HG1 ILE 666 1.977 10.548 4.339 265 HG13 ILE 666 1HG1 ILE 666 0.798 9.337 3.851 266 HG21 ILE 666 1HG2 ILE 666 -0.270 13.411 3.331 267 HG22 ILE 666 2HG2 ILE 666 1.120 12.699 2.512 268 HG23 ILE 666 3HG2 ILE 666 1.218 13.103 4.226 269 HD11 ILE 666 1HD1 ILE 666 2.345 9.378 2.116 270 HD12 ILE 666 2HD1 ILE 666 2.461 11.137 2.136 271 HD13 ILE 666 3HD1 ILE 666 1.007 10.357 1.514 272 H ALA 667 H ALA 667 -2.916 11.631 4.652 273 HA ALA 667 HA ALA 667 -3.358 14.279 4.420 274 HB1 ALA 667 1HB ALA 667 -5.409 13.490 4.162 275 HB2 ALA 667 2HB ALA 667 -5.552 13.299 5.910 276 HB3 ALA 667 3HB ALA 667 -4.936 11.972 4.924 277 H LEU 668 H LEU 668 -2.870 12.539 7.430 278 HA LEU 668 HA LEU 668 -3.533 14.826 9.058 279 HB2 LEU 668 2HB LEU 668 -4.019 12.526 9.800 280 HB3 LEU 668 1HB LEU 668 -2.302 12.171 9.795 281 HG LEU 668 HG LEU 668 -1.908 13.323 11.736 282 HD11 LEU 668 1HD1 LEU 668 -2.699 15.483 10.903 283 HD12 LEU 668 2HD1 LEU 668 -3.240 15.193 12.559 284 HD13 LEU 668 3HD1 LEU 668 -4.365 14.992 11.215 285 HD21 LEU 668 1HD2 LEU 668 -3.230 12.241 13.169 286 HD22 LEU 668 2HD2 LEU 668 -4.102 11.659 11.750 287 HD23 LEU 668 3HD2 LEU 668 -4.671 13.090 12.609 288 H PHE 669 H PHE 669 -0.605 12.802 8.756 289 HA PHE 669 HA PHE 669 1.153 14.523 10.043 290 HB2 PHE 669 2HB PHE 669 1.620 12.152 9.363 291 HB3 PHE 669 1HB PHE 669 1.847 12.723 7.714 292 HD1 PHE 669 1HD PHE 669 3.906 13.574 7.016 293 HD2 PHE 669 2HD PHE 669 3.143 13.056 11.170 294 HE1 PHE 669 1HE PHE 669 6.271 14.046 7.504 295 HE2 PHE 669 2HE PHE 669 5.506 13.528 11.667 296 HZ PHE 669 HZ PHE 669 7.073 14.024 9.833 297 H ALA 670 H ALA 670 -0.232 14.713 6.896 298 HA ALA 670 HA ALA 670 1.672 16.462 5.724 299 HB1 ALA 670 1HB ALA 670 0.156 16.662 3.925 300 HB2 ALA 670 2HB ALA 670 -1.220 16.224 4.936 301 HB3 ALA 670 3HB ALA 670 -0.015 15.006 4.513 302 H ILE 671 H ILE 671 -1.011 16.912 7.902 303 HA ILE 671 HA ILE 671 -1.225 19.744 7.366 304 HB ILE 671 HB ILE 671 -2.445 18.197 9.640 305 HG12 ILE 671 2HG1 ILE 671 -4.000 18.959 7.207 306 HG13 ILE 671 1HG1 ILE 671 -2.960 17.541 7.121 307 HG21 ILE 671 1HG2 ILE 671 -2.487 20.536 10.069 308 HG22 ILE 671 2HG2 ILE 671 -4.110 20.061 9.569 309 HG23 ILE 671 3HG2 ILE 671 -3.043 20.885 8.433 310 HD11 ILE 671 1HD1 ILE 671 -5.095 16.757 7.702 311 HD12 ILE 671 2HD1 ILE 671 -5.312 18.013 8.920 312 HD13 ILE 671 3HD1 ILE 671 -4.151 16.714 9.190 313 H ALA 672 H ALA 672 0.088 17.642 9.824 314 HA ALA 672 HA ALA 672 0.799 19.522 11.752 315 HB1 ALA 672 1HB ALA 672 0.859 17.110 12.077 316 HB2 ALA 672 2HB ALA 672 2.408 17.849 12.491 317 HB3 ALA 672 3HB ALA 672 2.215 16.994 10.957 318 H LYS 673 H LYS 673 2.357 18.546 8.788 319 HA LYS 673 HA LYS 673 4.686 20.191 9.325 320 HB2 LYS 673 2HB LYS 673 5.285 19.379 6.925 321 HB3 LYS 673 1HB LYS 673 5.375 18.250 8.268 322 HG2 LYS 673 2HG LYS 673 3.980 16.885 7.232 323 HG3 LYS 673 1HG LYS 673 2.745 18.141 7.204 324 HD2 LYS 673 2HD LYS 673 2.985 17.709 4.958 325 HD3 LYS 673 1HD LYS 673 4.119 19.043 5.171 326 HE2 LYS 673 2HE LYS 673 5.413 17.564 3.987 327 HE3 LYS 673 1HE LYS 673 5.827 17.116 5.642 328 HZ1 LYS 673 1HZ LYS 673 5.401 15.110 4.563 329 HZ2 LYS 673 2HZ LYS 673 4.043 15.708 3.752 330 HZ3 LYS 673 3HZ LYS 673 3.972 15.415 5.416 331 H PHE 674 H PHE 674 1.649 20.456 7.797 332 HA PHE 674 HA PHE 674 2.474 22.598 6.011 333 HB2 PHE 674 2HB PHE 674 0.738 20.883 5.392 334 HB3 PHE 674 1HB PHE 674 -0.319 21.618 6.593 335 HD1 PHE 674 1HD PHE 674 -0.674 24.202 6.324 336 HD2 PHE 674 2HD PHE 674 0.626 21.606 3.213 337 HE1 PHE 674 1HE PHE 674 -1.441 25.833 4.648 338 HE2 PHE 674 2HE PHE 674 -0.137 23.232 1.532 339 HZ PHE 674 HZ PHE 674 -1.172 25.349 2.249 340 H VAL 675 H VAL 675 0.799 22.152 9.063 341 HA VAL 675 HA VAL 675 0.243 25.028 9.208 342 HB VAL 675 HB VAL 675 -0.622 22.836 11.096 343 HG11 VAL 675 1HG1 VAL 675 -1.213 25.772 10.939 344 HG12 VAL 675 2HG1 VAL 675 -0.683 24.820 12.326 345 HG13 VAL 675 3HG1 VAL 675 -2.329 24.649 11.717 346 HG21 VAL 675 1HG2 VAL 675 -1.827 22.321 9.213 347 HG22 VAL 675 2HG2 VAL 675 -1.851 23.989 8.640 348 HG23 VAL 675 3HG2 VAL 675 -2.899 23.499 9.972 349 H PHE 676 H PHE 676 2.535 22.750 10.239 350 HA PHE 676 HA PHE 676 3.614 24.712 12.147 351 HB2 PHE 676 2HB PHE 676 3.910 21.757 12.627 352 HB3 PHE 676 1HB PHE 676 4.165 23.083 13.752 353 HD1 PHE 676 1HD PHE 676 1.442 21.533 11.725 354 HD2 PHE 676 2HD PHE 676 2.550 23.524 15.320 355 HE1 PHE 676 1HE PHE 676 -0.841 21.231 12.591 356 HE2 PHE 676 2HE PHE 676 0.268 23.229 16.190 357 HZ PHE 676 HZ PHE 676 -1.430 22.080 14.826 Start of MODEL 6 1 H1 GLY 630 1HT GLY 630 7.014 -17.174 6.025 2 H2 GLY 630 2HT GLY 630 8.477 -17.782 6.617 3 H3 GLY 630 3HT GLY 630 7.163 -18.821 6.384 4 HA2 GLY 630 HA2 GLY 630 8.288 -19.311 4.498 5 HA3 GLY 630 HA3 GLY 630 7.336 -17.948 3.931 6 H SER 631 H SER 631 8.471 -16.582 2.751 7 HA SER 631 HA SER 631 11.332 -16.245 3.348 8 HB2 SER 631 2HB SER 631 9.777 -16.290 0.805 9 HB3 SER 631 1HB SER 631 11.180 -15.223 0.888 10 HG SER 631 HG SER 631 12.460 -17.002 1.373 11 H ASP 632 H ASP 632 8.387 -14.506 2.405 12 HA ASP 632 HA ASP 632 9.424 -12.161 3.775 13 HB2 ASP 632 2HB ASP 632 9.987 -11.800 1.432 14 HB3 ASP 632 1HB ASP 632 8.306 -12.062 0.987 15 H LYS 633 H LYS 633 6.681 -11.845 1.740 16 HA LYS 633 HA LYS 633 4.959 -10.963 3.714 17 HB2 LYS 633 2HB LYS 633 3.135 -11.464 2.050 18 HB3 LYS 633 1HB LYS 633 4.453 -10.472 1.442 19 HG2 LYS 633 2HG LYS 633 5.355 -12.900 0.737 20 HG3 LYS 633 1HG LYS 633 3.615 -13.190 0.676 21 HD2 LYS 633 2HD LYS 633 4.964 -10.866 -0.687 22 HD3 LYS 633 1HD LYS 633 4.654 -12.412 -1.479 23 HE2 LYS 633 2HE LYS 633 2.359 -12.113 -1.452 24 HE3 LYS 633 1HE LYS 633 2.423 -10.957 -0.122 25 HZ1 LYS 633 1HZ LYS 633 3.598 -9.442 -1.750 26 HZ2 LYS 633 2HZ LYS 633 1.950 -9.705 -2.026 27 HZ3 LYS 633 3HZ LYS 633 3.103 -10.509 -2.967 28 H THR 634 H THR 634 5.282 -14.224 2.353 29 HA THR 634 HA THR 634 4.386 -15.407 4.772 30 HB THR 634 HB THR 634 2.602 -16.266 2.596 31 HG1 THR 634 1HG THR 634 2.092 -13.843 3.969 32 HG21 THR 634 1HG2 THR 634 1.723 -17.265 4.369 33 HG22 THR 634 2HG2 THR 634 1.073 -15.681 4.795 34 HG23 THR 634 3HG2 THR 634 2.597 -16.226 5.495 35 H LEU 635 H LEU 635 5.337 -15.676 1.549 36 HA LEU 635 HA LEU 635 7.176 -17.677 1.892 37 HB2 LEU 635 2HB LEU 635 5.566 -19.305 2.363 38 HB3 LEU 635 1HB LEU 635 4.467 -18.706 1.143 39 HG LEU 635 HG LEU 635 5.620 -20.932 0.682 40 HD11 LEU 635 1HD1 LEU 635 5.366 -20.622 -1.552 41 HD12 LEU 635 2HD1 LEU 635 6.251 -19.096 -1.559 42 HD13 LEU 635 3HD1 LEU 635 4.584 -19.146 -0.985 43 HD21 LEU 635 1HD2 LEU 635 7.841 -20.758 1.169 44 HD22 LEU 635 2HD2 LEU 635 7.951 -19.082 0.632 45 HD23 LEU 635 3HD2 LEU 635 7.893 -20.386 -0.553 46 HA PRO 636 HA PRO 636 6.179 -17.197 -2.883 47 HB2 PRO 636 2HB PRO 636 4.447 -14.799 -2.693 48 HB3 PRO 636 1HB PRO 636 4.326 -16.192 -3.771 49 HG2 PRO 636 2HG PRO 636 2.643 -15.841 -1.709 50 HG3 PRO 636 1HG PRO 636 3.164 -17.450 -2.238 51 HD2 PRO 636 2HD PRO 636 4.004 -15.867 0.135 52 HD3 PRO 636 1HD PRO 636 3.851 -17.621 -0.058 53 H ASP 637 H ASP 637 6.386 -14.766 -0.439 54 HA ASP 637 HA ASP 637 7.435 -12.702 -0.386 55 HB2 ASP 637 2HB ASP 637 9.767 -13.074 -0.052 56 HB3 ASP 637 1HB ASP 637 8.912 -14.507 0.504 57 H GLN 638 H GLN 638 6.287 -12.395 -2.628 58 HA GLN 638 HA GLN 638 6.328 -11.592 -4.768 59 HB2 GLN 638 2HB GLN 638 7.909 -9.659 -5.028 60 HB3 GLN 638 1HB GLN 638 6.881 -9.595 -3.604 61 HG2 GLN 638 2HG GLN 638 8.701 -10.299 -2.196 62 HG3 GLN 638 1HG GLN 638 9.742 -10.526 -3.600 63 HE21 GLN 638 1HE2 GLN 638 11.225 -9.069 -2.626 64 HE22 GLN 638 2HE2 GLN 638 10.966 -7.363 -2.707 65 H GLY 639 H GLY 639 6.819 -13.249 -6.134 66 HA2 GLY 639 2HA GLY 639 9.338 -13.112 -7.480 67 HA3 GLY 639 1HA GLY 639 9.210 -14.561 -6.493 68 H ASP 640 H ASP 640 6.465 -15.074 -6.838 69 HA ASP 640 HA ASP 640 6.431 -15.827 -9.684 70 HB2 ASP 640 2HB ASP 640 6.502 -17.620 -7.812 71 HB3 ASP 640 1HB ASP 640 4.810 -17.204 -7.559 72 H ASN 641 H ASN 641 4.633 -14.346 -7.085 73 HA ASN 641 HA ASN 641 2.868 -13.070 -8.943 74 HB2 ASN 641 2HB ASN 641 2.017 -15.552 -8.143 75 HB3 ASN 641 1HB ASN 641 1.235 -14.504 -6.964 76 HD21 ASN 641 1HD2 ASN 641 1.772 -14.859 -10.442 77 HD22 ASN 641 2HD2 ASN 641 0.233 -14.237 -10.920 78 H ASP 642 H ASP 642 3.714 -11.202 -7.988 79 HA ASP 642 HA ASP 642 3.062 -10.754 -5.161 80 HB2 ASP 642 2HB ASP 642 4.620 -8.880 -5.261 81 HB3 ASP 642 1HB ASP 642 5.398 -10.345 -5.847 82 H ASN 643 H ASN 643 2.348 -9.694 -8.392 83 HA ASN 643 HA ASN 643 1.130 -7.230 -7.799 84 HB2 ASN 643 2HB ASN 643 0.098 -7.432 -10.018 85 HB3 ASN 643 1HB ASN 643 1.811 -7.839 -10.058 86 HD21 ASN 643 1HD2 ASN 643 0.326 -8.641 -12.115 87 HD22 ASN 643 2HD2 ASN 643 0.053 -10.346 -12.062 88 H TRP 644 H TRP 644 -0.013 -10.492 -7.468 89 HA TRP 644 HA TRP 644 -2.737 -10.251 -7.669 90 HB2 TRP 644 2HB TRP 644 -2.934 -12.122 -6.167 91 HB3 TRP 644 1HB TRP 644 -1.489 -12.354 -7.146 92 HD1 TRP 644 HD TRP 644 0.674 -10.820 -5.613 93 HE1 TRP 644 1HE TRP 644 1.412 -11.510 -3.245 94 HE3 TRP 644 3HE TRP 644 -3.469 -13.461 -4.220 95 HZ2 TRP 644 2HZ TRP 644 0.370 -12.987 -1.073 96 HZ3 TRP 644 3HZ TRP 644 -3.521 -14.484 -1.983 97 HH2 TRP 644 HH TRP 644 -1.640 -14.251 -0.443 98 H TRP 645 H TRP 645 -0.665 -9.054 -5.118 99 HA TRP 645 HA TRP 645 -3.011 -7.759 -3.911 100 HB2 TRP 645 2HB TRP 645 -2.086 -9.747 -2.594 101 HB3 TRP 645 1HB TRP 645 -0.682 -8.735 -2.270 102 HD1 TRP 645 HD TRP 645 -4.533 -8.252 -1.945 103 HE1 TRP 645 1HE TRP 645 -4.988 -7.102 0.312 104 HE3 TRP 645 3HE TRP 645 0.281 -7.779 -0.287 105 HZ2 TRP 645 2HZ TRP 645 -3.504 -6.123 2.505 106 HZ3 TRP 645 3HZ TRP 645 0.676 -6.725 1.901 107 HH2 TRP 645 HH TRP 645 -1.178 -5.914 3.266 108 H THR 646 H THR 646 0.126 -7.403 -5.195 109 HA THR 646 HA THR 646 0.172 -4.628 -4.237 110 HB THR 646 HB THR 646 1.833 -6.139 -3.034 111 HG1 THR 646 1HG THR 646 2.974 -3.995 -4.489 112 HG21 THR 646 1HG2 THR 646 2.677 -6.689 -5.716 113 HG22 THR 646 2HG2 THR 646 3.219 -7.402 -4.198 114 HG23 THR 646 3HG2 THR 646 3.983 -5.933 -4.804 115 H GLY 647 H GLY 647 -0.835 -5.667 -6.712 116 HA2 GLY 647 2HA GLY 647 0.874 -4.124 -8.523 117 HA3 GLY 647 1HA GLY 647 0.497 -5.780 -8.971 118 H TRP 648 H TRP 648 -1.516 -6.283 -9.764 119 HA TRP 648 HA TRP 648 -2.997 -4.131 -10.908 120 HB2 TRP 648 2HB TRP 648 -4.516 -5.940 -11.713 121 HB3 TRP 648 1HB TRP 648 -2.824 -6.214 -12.116 122 HD1 TRP 648 HD TRP 648 -1.581 -8.244 -10.895 123 HE1 TRP 648 1HE TRP 648 -2.480 -10.320 -9.667 124 HE3 TRP 648 3HE TRP 648 -6.421 -6.748 -10.212 125 HZ2 TRP 648 2HZ TRP 648 -4.920 -11.206 -8.556 126 HZ3 TRP 648 3HZ TRP 648 -7.974 -8.268 -9.057 127 HH2 TRP 648 HH TRP 648 -7.238 -10.451 -8.247 128 H ARG 649 H ARG 649 -3.319 -6.094 -8.048 129 HA ARG 649 HA ARG 649 -6.025 -5.201 -7.521 130 HB2 ARG 649 2HB ARG 649 -5.252 -7.504 -6.935 131 HB3 ARG 649 1HB ARG 649 -4.158 -6.796 -5.756 132 HG2 ARG 649 2HG ARG 649 -6.212 -5.752 -4.694 133 HG3 ARG 649 1HG ARG 649 -7.157 -6.829 -5.724 134 HD2 ARG 649 2HD ARG 649 -4.954 -8.023 -4.135 135 HD3 ARG 649 1HD ARG 649 -6.397 -7.505 -3.265 136 HE ARG 649 HE ARG 649 -6.144 -9.782 -4.963 137 HH11 ARG 649 1HH1 ARG 649 -8.394 -7.359 -3.844 138 HH12 ARG 649 2HH1 ARG 649 -9.787 -8.353 -4.105 139 HH21 ARG 649 1HH2 ARG 649 -7.976 -11.089 -5.310 140 HH22 ARG 649 2HH2 ARG 649 -9.551 -10.471 -4.939 141 H GLN 650 H GLN 650 -2.873 -4.092 -7.018 142 HA GLN 650 HA GLN 650 -3.179 -2.828 -4.519 143 HB2 GLN 650 2HB GLN 650 -1.005 -3.348 -5.699 144 HB3 GLN 650 1HB GLN 650 -1.328 -1.963 -6.732 145 HG2 GLN 650 2HG GLN 650 -1.536 -0.657 -4.512 146 HG3 GLN 650 1HG GLN 650 -0.679 -2.033 -3.819 147 HE21 GLN 650 1HE2 GLN 650 1.331 -1.399 -3.484 148 HE22 GLN 650 2HE2 GLN 650 2.346 -0.601 -4.632 149 H TRP 651 H TRP 651 -4.518 -2.128 -7.544 150 HA TRP 651 HA TRP 651 -5.710 0.276 -6.558 151 HB2 TRP 651 2HB TRP 651 -4.888 1.680 -8.499 152 HB3 TRP 651 1HB TRP 651 -3.700 1.337 -7.247 153 HD1 TRP 651 HD TRP 651 -1.775 -0.477 -7.865 154 HE1 TRP 651 1HE TRP 651 -0.761 -1.131 -10.139 155 HE3 TRP 651 3HE TRP 651 -5.403 1.397 -10.938 156 HZ2 TRP 651 2HZ TRP 651 -1.415 -0.883 -12.874 157 HZ3 TRP 651 3HZ TRP 651 -5.134 1.148 -13.371 158 HH2 TRP 651 HH TRP 651 -3.179 0.032 -14.317 159 H ILE 652 H ILE 652 -6.872 -2.087 -7.319 160 HA ILE 652 HA ILE 652 -7.789 -1.819 -10.053 161 HB ILE 652 HB ILE 652 -7.318 -4.049 -9.000 162 HG12 ILE 652 2HG1 ILE 652 -8.731 -3.621 -11.067 163 HG13 ILE 652 1HG1 ILE 652 -8.987 -5.161 -10.256 164 HG21 ILE 652 1HG2 ILE 652 -9.391 -4.993 -7.775 165 HG22 ILE 652 2HG2 ILE 652 -9.730 -3.305 -7.400 166 HG23 ILE 652 3HG2 ILE 652 -8.215 -4.038 -6.874 167 HD11 ILE 652 1HD1 ILE 652 -10.815 -3.352 -9.123 168 HD12 ILE 652 2HD1 ILE 652 -11.147 -4.712 -10.194 169 HD13 ILE 652 3HD1 ILE 652 -10.867 -3.107 -10.869 170 HA PRO 653 HA PRO 653 -11.800 -0.595 -7.831 171 HB2 PRO 653 2HB PRO 653 -11.835 -0.074 -5.232 172 HB3 PRO 653 1HB PRO 653 -11.763 -1.745 -5.808 173 HG2 PRO 653 2HG PRO 653 -9.619 -0.042 -4.649 174 HG3 PRO 653 1HG PRO 653 -9.869 -1.789 -4.499 175 HD2 PRO 653 2HD PRO 653 -8.111 -0.463 -6.282 176 HD3 PRO 653 1HD PRO 653 -8.529 -2.184 -6.281 177 H ALA 654 H ALA 654 -8.888 1.090 -7.531 178 HA ALA 654 HA ALA 654 -8.389 3.300 -7.815 179 HB1 ALA 654 1HB ALA 654 -9.990 4.844 -8.537 180 HB2 ALA 654 2HB ALA 654 -11.305 4.004 -7.715 181 HB3 ALA 654 3HB ALA 654 -10.574 3.300 -9.157 182 H GLY 655 H GLY 655 -7.433 3.348 -5.792 183 HA2 GLY 655 2HA GLY 655 -7.247 4.819 -3.899 184 HA3 GLY 655 1HA GLY 655 -8.995 4.774 -3.745 185 H ILE 656 H ILE 656 -6.629 2.152 -4.092 186 HA ILE 656 HA ILE 656 -7.629 1.035 -1.554 187 HB ILE 656 HB ILE 656 -8.166 -0.329 -3.514 188 HG12 ILE 656 2HG1 ILE 656 -7.146 -2.467 -2.704 189 HG13 ILE 656 1HG1 ILE 656 -6.110 -1.516 -1.643 190 HG21 ILE 656 1HG2 ILE 656 -6.661 -1.049 -5.058 191 HG22 ILE 656 2HG2 ILE 656 -5.323 -1.053 -3.908 192 HG23 ILE 656 3HG2 ILE 656 -5.896 0.469 -4.589 193 HD11 ILE 656 1HD1 ILE 656 -8.839 -2.366 -1.281 194 HD12 ILE 656 2HD1 ILE 656 -8.673 -0.621 -1.088 195 HD13 ILE 656 3HD1 ILE 656 -7.694 -1.713 -0.109 196 H GLY 657 H GLY 657 -4.730 1.545 -3.544 197 HA2 GLY 657 2HA GLY 657 -3.125 1.190 -1.091 198 HA3 GLY 657 1HA GLY 657 -2.612 0.491 -2.621 199 H VAL 658 H VAL 658 -2.810 2.290 -4.462 200 HA VAL 658 HA VAL 658 -0.758 4.141 -3.935 201 HB VAL 658 HB VAL 658 -1.531 3.178 -6.192 202 HG11 VAL 658 1HG1 VAL 658 -3.305 5.609 -6.200 203 HG12 VAL 658 2HG1 VAL 658 -3.891 3.970 -5.917 204 HG13 VAL 658 3HG1 VAL 658 -3.140 4.384 -7.458 205 HG21 VAL 658 1HG2 VAL 658 -1.094 6.105 -6.462 206 HG22 VAL 658 2HG2 VAL 658 -0.291 4.760 -7.273 207 HG23 VAL 658 3HG2 VAL 658 0.123 5.159 -5.606 208 H THR 659 H THR 659 -4.253 4.397 -4.000 209 HA THR 659 HA THR 659 -4.037 7.095 -2.843 210 HB THR 659 HB THR 659 -6.046 5.961 -4.779 211 HG1 THR 659 1HG THR 659 -4.093 7.212 -5.386 212 HG21 THR 659 1HG2 THR 659 -7.350 7.028 -2.997 213 HG22 THR 659 2HG2 THR 659 -7.433 7.920 -4.516 214 HG23 THR 659 3HG2 THR 659 -6.404 8.502 -3.206 215 H GLY 660 H GLY 660 -5.168 3.871 -2.486 216 HA2 GLY 660 2HA GLY 660 -7.167 4.482 -0.496 217 HA3 GLY 660 1HA GLY 660 -6.613 2.886 -0.977 218 H VAL 661 H VAL 661 -4.006 2.849 -0.450 219 HA VAL 661 HA VAL 661 -3.946 2.842 2.438 220 HB VAL 661 HB VAL 661 -1.911 1.951 0.390 221 HG11 VAL 661 1HG1 VAL 661 -1.793 1.913 3.396 222 HG12 VAL 661 2HG1 VAL 661 -0.623 2.590 2.263 223 HG13 VAL 661 3HG1 VAL 661 -0.817 0.842 2.390 224 HG21 VAL 661 1HG2 VAL 661 -4.244 0.741 1.309 225 HG22 VAL 661 2HG2 VAL 661 -2.945 -0.057 2.194 226 HG23 VAL 661 3HG2 VAL 661 -2.925 -0.032 0.431 227 H VAL 662 H VAL 662 -1.730 4.087 -0.043 228 HA VAL 662 HA VAL 662 -0.035 5.599 1.415 229 HB VAL 662 HB VAL 662 -1.250 6.126 -1.277 230 HG11 VAL 662 1HG1 VAL 662 -0.665 8.315 -0.526 231 HG12 VAL 662 2HG1 VAL 662 0.616 7.783 -1.616 232 HG13 VAL 662 3HG1 VAL 662 0.870 7.748 0.129 233 HG21 VAL 662 1HG2 VAL 662 0.503 4.253 -0.565 234 HG22 VAL 662 2HG2 VAL 662 1.631 5.577 -0.858 235 HG23 VAL 662 3HG2 VAL 662 0.547 5.042 -2.142 236 H ILE 663 H ILE 663 -3.356 6.355 0.707 237 HA ILE 663 HA ILE 663 -3.192 9.079 1.566 238 HB ILE 663 HB ILE 663 -4.882 7.894 -0.029 239 HG12 ILE 663 2HG1 ILE 663 -6.574 9.700 0.538 240 HG13 ILE 663 1HG1 ILE 663 -5.552 10.105 1.913 241 HG21 ILE 663 1HG2 ILE 663 -6.856 7.069 0.842 242 HG22 ILE 663 2HG2 ILE 663 -6.612 7.848 2.406 243 HG23 ILE 663 3HG2 ILE 663 -5.653 6.436 1.965 244 HD11 ILE 663 1HD1 ILE 663 -3.735 10.156 -0.076 245 HD12 ILE 663 2HD1 ILE 663 -4.651 11.561 0.469 246 HD13 ILE 663 3HD1 ILE 663 -5.186 10.654 -0.946 247 H ALA 664 H ALA 664 -4.051 6.017 3.046 248 HA ALA 664 HA ALA 664 -4.973 7.236 5.495 249 HB1 ALA 664 1HB ALA 664 -6.088 5.278 5.310 250 HB2 ALA 664 2HB ALA 664 -4.677 4.653 6.164 251 HB3 ALA 664 3HB ALA 664 -4.787 4.497 4.411 252 H VAL 665 H VAL 665 -1.985 6.069 4.187 253 HA VAL 665 HA VAL 665 -0.672 5.819 6.746 254 HB VAL 665 HB VAL 665 0.906 6.000 4.230 255 HG11 VAL 665 1HG1 VAL 665 0.945 4.223 6.652 256 HG12 VAL 665 2HG1 VAL 665 2.031 5.566 6.296 257 HG13 VAL 665 3HG1 VAL 665 2.080 4.104 5.308 258 HG21 VAL 665 1HG2 VAL 665 -0.463 4.576 3.144 259 HG22 VAL 665 2HG2 VAL 665 -1.284 4.076 4.623 260 HG23 VAL 665 3HG2 VAL 665 0.268 3.360 4.192 261 H ILE 666 H ILE 666 -0.631 7.956 3.954 262 HA ILE 666 HA ILE 666 1.290 9.778 4.949 263 HB ILE 666 HB ILE 666 -0.837 9.981 2.827 264 HG12 ILE 666 2HG1 ILE 666 1.096 8.433 2.461 265 HG13 ILE 666 1HG1 ILE 666 0.987 9.722 1.267 266 HG21 ILE 666 1HG2 ILE 666 1.219 12.014 3.658 267 HG22 ILE 666 2HG2 ILE 666 -0.525 12.220 3.502 268 HG23 ILE 666 3HG2 ILE 666 0.471 12.016 2.061 269 HD11 ILE 666 1HD1 ILE 666 2.865 9.608 3.615 270 HD12 ILE 666 2HD1 ILE 666 2.730 10.956 2.486 271 HD13 ILE 666 3HD1 ILE 666 3.279 9.380 1.916 272 H ALA 667 H ALA 667 -2.204 9.538 5.131 273 HA ALA 667 HA ALA 667 -3.045 11.990 5.897 274 HB1 ALA 667 1HB ALA 667 -4.915 10.875 6.324 275 HB2 ALA 667 2HB ALA 667 -4.179 10.076 7.714 276 HB3 ALA 667 3HB ALA 667 -4.014 9.375 6.104 277 H LEU 668 H LEU 668 -1.159 9.747 7.834 278 HA LEU 668 HA LEU 668 -1.307 11.391 10.199 279 HB2 LEU 668 2HB LEU 668 -1.224 8.972 10.410 280 HB3 LEU 668 1HB LEU 668 0.296 8.926 9.534 281 HG LEU 668 HG LEU 668 1.515 9.735 11.330 282 HD11 LEU 668 1HD1 LEU 668 0.577 10.934 13.227 283 HD12 LEU 668 2HD1 LEU 668 -1.046 10.737 12.565 284 HD13 LEU 668 3HD1 LEU 668 0.138 11.729 11.712 285 HD21 LEU 668 1HD2 LEU 668 -0.109 7.570 11.728 286 HD22 LEU 668 2HD2 LEU 668 -0.416 8.544 13.167 287 HD23 LEU 668 3HD2 LEU 668 1.231 8.050 12.771 288 H PHE 669 H PHE 669 1.407 10.151 8.243 289 HA PHE 669 HA PHE 669 3.386 11.811 9.237 290 HB2 PHE 669 2HB PHE 669 3.233 9.862 7.289 291 HB3 PHE 669 1HB PHE 669 3.643 11.303 6.363 292 HD1 PHE 669 1HD PHE 669 5.634 12.702 7.240 293 HD2 PHE 669 2HD PHE 669 4.893 8.662 8.352 294 HE1 PHE 669 1HE PHE 669 7.991 12.457 7.904 295 HE2 PHE 669 2HE PHE 669 7.248 8.409 9.019 296 HZ PHE 669 HZ PHE 669 8.800 10.309 8.795 297 H ALA 670 H ALA 670 0.807 12.525 7.071 298 HA ALA 670 HA ALA 670 1.917 14.872 5.912 299 HB1 ALA 670 1HB ALA 670 0.053 13.480 4.947 300 HB2 ALA 670 2HB ALA 670 -0.225 15.223 4.951 301 HB3 ALA 670 3HB ALA 670 -1.007 14.202 6.158 302 H ILE 671 H ILE 671 0.286 14.178 8.914 303 HA ILE 671 HA ILE 671 -0.484 16.898 9.419 304 HB ILE 671 HB ILE 671 -0.263 14.655 11.410 305 HG12 ILE 671 2HG1 ILE 671 -2.860 15.447 10.168 306 HG13 ILE 671 1HG1 ILE 671 -1.779 14.404 9.251 307 HG21 ILE 671 1HG2 ILE 671 -1.888 17.190 11.437 308 HG22 ILE 671 2HG2 ILE 671 -0.438 16.877 12.390 309 HG23 ILE 671 3HG2 ILE 671 -1.903 15.939 12.680 310 HD11 ILE 671 1HD1 ILE 671 -3.179 12.924 10.354 311 HD12 ILE 671 2HD1 ILE 671 -3.160 13.865 11.845 312 HD13 ILE 671 3HD1 ILE 671 -1.733 12.948 11.363 313 H ALA 672 H ALA 672 2.102 14.764 10.418 314 HA ALA 672 HA ALA 672 3.315 16.397 12.330 315 HB1 ALA 672 1HB ALA 672 3.735 13.941 11.552 316 HB2 ALA 672 2HB ALA 672 5.037 14.891 12.272 317 HB3 ALA 672 3HB ALA 672 4.944 14.700 10.519 318 H LYS 673 H LYS 673 3.494 16.357 8.851 319 HA LYS 673 HA LYS 673 5.573 18.384 8.820 320 HB2 LYS 673 2HB LYS 673 5.047 18.181 6.238 321 HB3 LYS 673 1HB LYS 673 6.025 16.979 7.064 322 HG2 LYS 673 2HG LYS 673 4.597 15.365 6.549 323 HG3 LYS 673 1HG LYS 673 3.240 16.272 7.210 324 HD2 LYS 673 2HD LYS 673 2.481 16.615 5.155 325 HD3 LYS 673 1HD LYS 673 3.953 17.507 4.769 326 HE2 LYS 673 2HE LYS 673 3.953 14.519 4.693 327 HE3 LYS 673 1HE LYS 673 3.270 15.431 3.347 328 HZ1 LYS 673 1HZ LYS 673 6.031 15.096 4.139 329 HZ2 LYS 673 2HZ LYS 673 5.612 16.680 3.721 330 HZ3 LYS 673 3HZ LYS 673 5.372 15.424 2.615 331 H PHE 674 H PHE 674 2.172 18.181 8.783 332 HA PHE 674 HA PHE 674 1.776 20.725 7.444 333 HB2 PHE 674 2HB PHE 674 0.176 18.790 7.248 334 HB3 PHE 674 1HB PHE 674 -0.253 19.059 8.934 335 HD1 PHE 674 1HD PHE 674 -1.042 21.475 9.520 336 HD2 PHE 674 2HD PHE 674 -1.020 19.842 5.590 337 HE1 PHE 674 1HE PHE 674 -2.716 23.139 8.823 338 HE2 PHE 674 2HE PHE 674 -2.693 21.502 4.886 339 HZ PHE 674 HZ PHE 674 -3.543 23.154 6.503 340 H VAL 675 H VAL 675 1.810 19.408 10.702 341 HA VAL 675 HA VAL 675 1.109 22.046 11.782 342 HB VAL 675 HB VAL 675 1.388 19.428 13.257 343 HG11 VAL 675 1HG1 VAL 675 0.201 20.596 15.062 344 HG12 VAL 675 2HG1 VAL 675 0.243 22.083 14.115 345 HG13 VAL 675 3HG1 VAL 675 1.746 21.360 14.688 346 HG21 VAL 675 1HG2 VAL 675 -1.255 20.688 12.877 347 HG22 VAL 675 2HG2 VAL 675 -0.805 18.983 12.924 348 HG23 VAL 675 3HG2 VAL 675 -0.534 19.927 11.459 349 H PHE 676 H PHE 676 3.787 19.981 11.256 350 HA PHE 676 HA PHE 676 5.453 21.772 12.895 351 HB2 PHE 676 2HB PHE 676 6.212 18.891 12.529 352 HB3 PHE 676 1HB PHE 676 6.755 20.031 13.751 353 HD1 PHE 676 1HD PHE 676 3.623 18.358 12.608 354 HD2 PHE 676 2HD PHE 676 5.917 19.833 15.874 355 HE1 PHE 676 1HE PHE 676 1.958 17.454 14.181 356 HE2 PHE 676 2HE PHE 676 4.255 18.938 17.452 357 HZ PHE 676 HZ PHE 676 2.273 17.746 16.606 Start of MODEL 7 1 H1 GLY 630 1HT GLY 630 9.820 -17.680 6.506 2 H2 GLY 630 2HT GLY 630 9.482 -16.415 7.577 3 H3 GLY 630 3HT GLY 630 11.050 -16.616 6.974 4 HA2 GLY 630 HA2 GLY 630 8.904 -16.250 5.028 5 HA3 GLY 630 HA3 GLY 630 9.381 -14.848 5.972 6 H SER 631 H SER 631 9.684 -15.503 3.079 7 HA SER 631 HA SER 631 12.567 -15.707 2.760 8 HB2 SER 631 2HB SER 631 10.211 -15.983 0.999 9 HB3 SER 631 1HB SER 631 11.636 -15.268 0.244 10 HG SER 631 HG SER 631 11.749 -17.660 1.751 11 H ASP 632 H ASP 632 9.967 -13.358 2.228 12 HA ASP 632 HA ASP 632 11.962 -11.248 2.288 13 HB2 ASP 632 2HB ASP 632 11.604 -11.690 -0.087 14 HB3 ASP 632 1HB ASP 632 9.879 -11.432 0.132 15 H LYS 633 H LYS 633 8.689 -10.754 1.280 16 HA LYS 633 HA LYS 633 8.140 -8.786 3.176 17 HB2 LYS 633 2HB LYS 633 5.767 -9.063 2.483 18 HB3 LYS 633 1HB LYS 633 6.875 -8.904 1.127 19 HG2 LYS 633 2HG LYS 633 6.841 -11.375 0.883 20 HG3 LYS 633 1HG LYS 633 5.608 -11.438 2.144 21 HD2 LYS 633 2HD LYS 633 4.542 -11.515 -0.020 22 HD3 LYS 633 1HD LYS 633 4.173 -9.974 0.757 23 HE2 LYS 633 2HE LYS 633 6.575 -9.700 -0.763 24 HE3 LYS 633 1HE LYS 633 5.333 -10.427 -1.782 25 HZ1 LYS 633 1HZ LYS 633 4.795 -8.017 -0.156 26 HZ2 LYS 633 2HZ LYS 633 3.926 -8.606 -1.481 27 HZ3 LYS 633 3HZ LYS 633 5.450 -7.911 -1.712 28 H THR 634 H THR 634 7.471 -12.246 3.189 29 HA THR 634 HA THR 634 7.469 -12.439 5.966 30 HB THR 634 HB THR 634 4.789 -13.202 5.621 31 HG1 THR 634 1HG THR 634 4.966 -10.498 4.919 32 HG21 THR 634 1HG2 THR 634 5.417 -10.591 6.879 33 HG22 THR 634 2HG2 THR 634 6.094 -12.056 7.592 34 HG23 THR 634 3HG2 THR 634 4.347 -11.885 7.419 35 H LEU 635 H LEU 635 6.662 -13.711 2.957 36 HA LEU 635 HA LEU 635 7.883 -16.153 3.316 37 HB2 LEU 635 2HB LEU 635 6.239 -16.880 4.827 38 HB3 LEU 635 1HB LEU 635 4.938 -16.200 3.876 39 HG LEU 635 HG LEU 635 5.158 -18.733 3.884 40 HD11 LEU 635 1HD1 LEU 635 4.102 -17.090 2.067 41 HD12 LEU 635 2HD1 LEU 635 4.114 -18.843 1.878 42 HD13 LEU 635 3HD1 LEU 635 5.330 -17.859 1.063 43 HD21 LEU 635 1HD2 LEU 635 7.633 -17.987 2.365 44 HD22 LEU 635 2HD2 LEU 635 6.789 -19.500 2.037 45 HD23 LEU 635 3HD2 LEU 635 7.425 -19.177 3.650 46 HA PRO 636 HA PRO 636 5.139 -16.292 -0.730 47 HB2 PRO 636 2HB PRO 636 4.278 -13.460 -0.780 48 HB3 PRO 636 1HB PRO 636 3.378 -14.916 -1.211 49 HG2 PRO 636 2HG PRO 636 2.883 -13.545 1.050 50 HG3 PRO 636 1HG PRO 636 2.706 -15.305 0.951 51 HD2 PRO 636 2HD PRO 636 4.850 -13.681 2.224 52 HD3 PRO 636 1HD PRO 636 4.193 -15.258 2.694 53 H ASP 637 H ASP 637 6.943 -13.663 0.589 54 HA ASP 637 HA ASP 637 8.384 -12.128 -0.369 55 HB2 ASP 637 2HB ASP 637 10.469 -13.203 -0.685 56 HB3 ASP 637 1HB ASP 637 9.576 -14.173 0.480 57 H GLN 638 H GLN 638 6.416 -12.082 -2.095 58 HA GLN 638 HA GLN 638 5.761 -11.827 -4.276 59 HB2 GLN 638 2HB GLN 638 7.368 -10.442 -5.593 60 HB3 GLN 638 1HB GLN 638 7.035 -9.824 -3.981 61 HG2 GLN 638 2HG GLN 638 9.137 -10.627 -3.169 62 HG3 GLN 638 1HG GLN 638 9.457 -11.458 -4.691 63 HE21 GLN 638 1HE2 GLN 638 11.293 -9.729 -3.687 64 HE22 GLN 638 2HE2 GLN 638 11.362 -8.303 -4.659 65 H GLY 639 H GLY 639 5.938 -14.307 -4.342 66 HA2 GLY 639 2HA GLY 639 7.757 -15.015 -6.561 67 HA3 GLY 639 1HA GLY 639 7.462 -16.110 -5.219 68 H ASP 640 H ASP 640 4.697 -15.758 -4.938 69 HA ASP 640 HA ASP 640 3.762 -17.031 -7.419 70 HB2 ASP 640 2HB ASP 640 3.680 -18.065 -4.930 71 HB3 ASP 640 1HB ASP 640 2.127 -17.236 -4.955 72 H ASN 641 H ASN 641 3.393 -14.954 -8.401 73 HA ASN 641 HA ASN 641 2.055 -13.252 -9.093 74 HB2 ASN 641 2HB ASN 641 0.354 -15.247 -8.670 75 HB3 ASN 641 1HB ASN 641 -0.217 -14.176 -7.394 76 HD21 ASN 641 1HD2 ASN 641 0.487 -14.317 -10.847 77 HD22 ASN 641 2HD2 ASN 641 -0.708 -13.162 -11.320 78 H ASP 642 H ASP 642 3.402 -11.808 -7.857 79 HA ASP 642 HA ASP 642 2.787 -11.052 -5.197 80 HB2 ASP 642 2HB ASP 642 4.215 -9.034 -5.748 81 HB3 ASP 642 1HB ASP 642 4.986 -10.598 -5.995 82 H ASN 643 H ASN 643 1.544 -10.108 -8.293 83 HA ASN 643 HA ASN 643 0.484 -7.602 -7.740 84 HB2 ASN 643 2HB ASN 643 -0.619 -9.783 -9.519 85 HB3 ASN 643 1HB ASN 643 -1.145 -8.103 -9.547 86 HD21 ASN 643 1HD2 ASN 643 -0.229 -6.884 -11.020 87 HD22 ASN 643 2HD2 ASN 643 1.320 -7.141 -11.740 88 H TRP 644 H TRP 644 -0.505 -10.700 -6.574 89 HA TRP 644 HA TRP 644 -3.191 -10.424 -6.104 90 HB2 TRP 644 2HB TRP 644 -2.989 -12.072 -4.428 91 HB3 TRP 644 1HB TRP 644 -1.665 -12.398 -5.540 92 HD1 TRP 644 HD TRP 644 0.733 -10.957 -4.644 93 HE1 TRP 644 1HE TRP 644 1.728 -11.086 -2.275 94 HE3 TRP 644 3HE TRP 644 -3.412 -12.548 -2.114 95 HZ2 TRP 644 2HZ TRP 644 0.868 -11.777 0.325 96 HZ3 TRP 644 3HZ TRP 644 -3.242 -12.921 0.312 97 HH2 TRP 644 HH TRP 644 -1.145 -12.543 1.505 98 H TRP 645 H TRP 645 -0.570 -8.764 -4.532 99 HA TRP 645 HA TRP 645 -2.509 -7.098 -3.127 100 HB2 TRP 645 2HB TRP 645 -1.124 -9.101 -1.777 101 HB3 TRP 645 1HB TRP 645 -0.219 -7.636 -1.415 102 HD1 TRP 645 HD TRP 645 -2.148 -9.359 0.637 103 HE1 TRP 645 1HE TRP 645 -3.946 -8.050 1.932 104 HE3 TRP 645 3HE TRP 645 -2.452 -5.218 -2.349 105 HZ2 TRP 645 2HZ TRP 645 -5.312 -5.590 1.718 106 HZ3 TRP 645 3HZ TRP 645 -4.029 -3.434 -1.733 107 HH2 TRP 645 HH TRP 645 -5.430 -3.617 0.259 108 H THR 646 H THR 646 -0.445 -6.954 -5.385 109 HA THR 646 HA THR 646 0.508 -4.324 -4.695 110 HB THR 646 HB THR 646 2.243 -5.945 -3.799 111 HG1 THR 646 1HG THR 646 2.881 -3.989 -5.732 112 HG21 THR 646 1HG2 THR 646 3.177 -7.488 -5.067 113 HG22 THR 646 2HG2 THR 646 3.668 -6.268 -6.242 114 HG23 THR 646 3HG2 THR 646 2.089 -7.043 -6.382 115 H GLY 647 H GLY 647 -1.207 -5.725 -6.707 116 HA2 GLY 647 2HA GLY 647 -0.055 -4.402 -9.049 117 HA3 GLY 647 1HA GLY 647 -0.445 -6.109 -9.194 118 H TRP 648 H TRP 648 -2.434 -6.636 -9.833 119 HA TRP 648 HA TRP 648 -4.278 -4.713 -10.680 120 HB2 TRP 648 2HB TRP 648 -5.879 -6.696 -10.790 121 HB3 TRP 648 1HB TRP 648 -4.388 -6.835 -11.715 122 HD1 TRP 648 HD TRP 648 -2.634 -8.678 -10.951 123 HE1 TRP 648 1HE TRP 648 -2.817 -10.702 -9.372 124 HE3 TRP 648 3HE TRP 648 -7.018 -7.485 -8.607 125 HZ2 TRP 648 2HZ TRP 648 -4.587 -11.666 -7.395 126 HZ3 TRP 648 3HZ TRP 648 -7.888 -9.012 -6.885 127 HH2 TRP 648 HH TRP 648 -6.697 -11.059 -6.293 128 H ARG 649 H ARG 649 -3.750 -6.069 -7.566 129 HA ARG 649 HA ARG 649 -6.376 -5.393 -6.560 130 HB2 ARG 649 2HB ARG 649 -4.726 -7.346 -5.832 131 HB3 ARG 649 1HB ARG 649 -4.114 -6.100 -4.752 132 HG2 ARG 649 2HG ARG 649 -6.597 -5.790 -4.095 133 HG3 ARG 649 1HG ARG 649 -6.809 -7.387 -4.816 134 HD2 ARG 649 2HD ARG 649 -5.723 -8.430 -3.139 135 HD3 ARG 649 1HD ARG 649 -4.537 -7.137 -2.966 136 HE ARG 649 HE ARG 649 -5.791 -6.313 -1.257 137 HH11 ARG 649 1HH1 ARG 649 -7.863 -8.267 -3.275 138 HH12 ARG 649 2HH1 ARG 649 -9.240 -8.099 -2.239 139 HH21 ARG 649 1HH2 ARG 649 -7.602 -6.091 0.107 140 HH22 ARG 649 2HH2 ARG 649 -9.093 -6.863 -0.320 141 H GLN 650 H GLN 650 -3.332 -3.939 -6.992 142 HA GLN 650 HA GLN 650 -3.495 -2.090 -4.833 143 HB2 GLN 650 2HB GLN 650 -1.647 -2.680 -7.020 144 HB3 GLN 650 1HB GLN 650 -1.735 -0.974 -6.609 145 HG2 GLN 650 2HG GLN 650 -1.254 -3.134 -4.578 146 HG3 GLN 650 1HG GLN 650 0.042 -2.293 -5.428 147 HE21 GLN 650 1HE2 GLN 650 0.630 -1.760 -3.175 148 HE22 GLN 650 2HE2 GLN 650 -0.074 -0.352 -2.464 149 H TRP 651 H TRP 651 -5.244 -2.303 -7.634 150 HA TRP 651 HA TRP 651 -6.337 0.299 -7.352 151 HB2 TRP 651 2HB TRP 651 -5.718 1.068 -9.683 152 HB3 TRP 651 1HB TRP 651 -4.413 1.101 -8.502 153 HD1 TRP 651 HD TRP 651 -2.809 -1.278 -8.611 154 HE1 TRP 651 1HE TRP 651 -1.890 -2.406 -10.734 155 HE3 TRP 651 3HE TRP 651 -6.041 0.697 -12.047 156 HZ2 TRP 651 2HZ TRP 651 -2.458 -2.452 -13.498 157 HZ3 TRP 651 3HZ TRP 651 -5.784 0.060 -14.409 158 HH2 TRP 651 HH TRP 651 -4.029 -1.482 -15.118 159 H ILE 652 H ILE 652 -7.581 -2.079 -7.231 160 HA ILE 652 HA ILE 652 -8.559 -3.094 -9.671 161 HB ILE 652 HB ILE 652 -10.172 -3.135 -7.131 162 HG12 ILE 652 2HG1 ILE 652 -8.473 -5.457 -7.543 163 HG13 ILE 652 1HG1 ILE 652 -7.528 -3.993 -7.307 164 HG21 ILE 652 1HG2 ILE 652 -11.491 -4.183 -8.632 165 HG22 ILE 652 2HG2 ILE 652 -10.457 -5.555 -8.230 166 HG23 ILE 652 3HG2 ILE 652 -10.141 -4.609 -9.684 167 HD11 ILE 652 1HD1 ILE 652 -9.305 -3.721 -5.315 168 HD12 ILE 652 2HD1 ILE 652 -7.752 -4.540 -5.144 169 HD13 ILE 652 3HD1 ILE 652 -9.219 -5.479 -5.422 170 HA PRO 653 HA PRO 653 -12.431 -0.256 -9.068 171 HB2 PRO 653 2HB PRO 653 -12.147 1.843 -7.336 172 HB3 PRO 653 1HB PRO 653 -12.852 0.286 -6.889 173 HG2 PRO 653 2HG PRO 653 -10.093 1.327 -6.406 174 HG3 PRO 653 1HG PRO 653 -11.134 0.367 -5.343 175 HD2 PRO 653 2HD PRO 653 -9.087 -0.701 -6.752 176 HD3 PRO 653 1HD PRO 653 -10.558 -1.606 -6.350 177 H ALA 654 H ALA 654 -10.050 2.157 -8.024 178 HA ALA 654 HA ALA 654 -9.057 2.941 -10.492 179 HB1 ALA 654 1HB ALA 654 -11.078 3.651 -11.341 180 HB2 ALA 654 2HB ALA 654 -10.450 5.134 -10.623 181 HB3 ALA 654 3HB ALA 654 -11.669 4.189 -9.769 182 H GLY 655 H GLY 655 -7.526 2.813 -8.669 183 HA2 GLY 655 2HA GLY 655 -5.872 4.334 -7.871 184 HA3 GLY 655 1HA GLY 655 -7.141 5.512 -7.579 185 H ILE 656 H ILE 656 -7.234 2.113 -6.633 186 HA ILE 656 HA ILE 656 -7.860 2.817 -3.928 187 HB ILE 656 HB ILE 656 -8.643 0.727 -5.197 188 HG12 ILE 656 2HG1 ILE 656 -7.940 -0.575 -2.841 189 HG13 ILE 656 1HG1 ILE 656 -7.958 1.129 -2.403 190 HG21 ILE 656 1HG2 ILE 656 -5.982 0.257 -5.468 191 HG22 ILE 656 2HG2 ILE 656 -7.241 -0.964 -5.640 192 HG23 ILE 656 3HG2 ILE 656 -6.389 -0.781 -4.106 193 HD11 ILE 656 1HD1 ILE 656 -10.262 1.058 -3.696 194 HD12 ILE 656 2HD1 ILE 656 -10.127 0.609 -1.996 195 HD13 ILE 656 3HD1 ILE 656 -10.179 -0.643 -3.237 196 H GLY 657 H GLY 657 -4.991 2.411 -5.677 197 HA2 GLY 657 2HA GLY 657 -3.423 1.975 -3.219 198 HA3 GLY 657 1HA GLY 657 -2.850 1.639 -4.851 199 H VAL 658 H VAL 658 -3.931 4.043 -5.985 200 HA VAL 658 HA VAL 658 -1.799 5.861 -5.292 201 HB VAL 658 HB VAL 658 -2.457 5.470 -7.651 202 HG11 VAL 658 1HG1 VAL 658 -4.763 7.228 -7.654 203 HG12 VAL 658 2HG1 VAL 658 -5.045 5.762 -6.719 204 HG13 VAL 658 3HG1 VAL 658 -4.548 5.646 -8.405 205 HG21 VAL 658 1HG2 VAL 658 -2.317 8.124 -6.380 206 HG22 VAL 658 2HG2 VAL 658 -2.902 8.100 -8.043 207 HG23 VAL 658 3HG2 VAL 658 -1.322 7.420 -7.654 208 H THR 659 H THR 659 -5.241 5.567 -4.849 209 HA THR 659 HA THR 659 -5.222 8.025 -3.230 210 HB THR 659 HB THR 659 -7.449 6.973 -4.986 211 HG1 THR 659 1HG THR 659 -6.110 8.136 -6.237 212 HG21 THR 659 1HG2 THR 659 -8.255 7.981 -2.831 213 HG22 THR 659 2HG2 THR 659 -8.819 8.766 -4.307 214 HG23 THR 659 3HG2 THR 659 -7.521 9.495 -3.361 215 H GLY 660 H GLY 660 -6.000 4.674 -3.470 216 HA2 GLY 660 2HA GLY 660 -7.766 4.647 -1.186 217 HA3 GLY 660 1HA GLY 660 -7.163 3.243 -2.061 218 H VAL 661 H VAL 661 -4.514 3.371 -1.860 219 HA VAL 661 HA VAL 661 -4.048 2.802 0.936 220 HB VAL 661 HB VAL 661 -2.130 2.628 -1.394 221 HG11 VAL 661 1HG1 VAL 661 -1.901 2.051 1.491 222 HG12 VAL 661 2HG1 VAL 661 -0.664 2.514 0.322 223 HG13 VAL 661 3HG1 VAL 661 -1.224 0.843 0.398 224 HG21 VAL 661 1HG2 VAL 661 -4.375 1.133 -1.082 225 HG22 VAL 661 2HG2 VAL 661 -3.192 0.163 -0.204 226 HG23 VAL 661 3HG2 VAL 661 -2.911 0.580 -1.894 227 H VAL 662 H VAL 662 -2.343 4.733 -1.501 228 HA VAL 662 HA VAL 662 -0.555 6.102 -0.022 229 HB VAL 662 HB VAL 662 -2.243 7.063 -2.315 230 HG11 VAL 662 1HG1 VAL 662 -1.583 9.057 -1.115 231 HG12 VAL 662 2HG1 VAL 662 -0.609 8.916 -2.579 232 HG13 VAL 662 3HG1 VAL 662 0.083 8.487 -1.014 233 HG21 VAL 662 1HG2 VAL 662 -0.529 6.401 -3.684 234 HG22 VAL 662 2HG2 VAL 662 -0.391 5.202 -2.397 235 HG23 VAL 662 3HG2 VAL 662 0.696 6.590 -2.429 236 H ILE 663 H ILE 663 -3.994 6.677 -0.131 237 HA ILE 663 HA ILE 663 -3.895 9.152 1.288 238 HB ILE 663 HB ILE 663 -5.717 8.121 -0.291 239 HG12 ILE 663 2HG1 ILE 663 -6.964 9.609 1.948 240 HG13 ILE 663 1HG1 ILE 663 -5.549 10.354 1.210 241 HG21 ILE 663 1HG2 ILE 663 -6.130 6.246 1.384 242 HG22 ILE 663 2HG2 ILE 663 -7.544 7.064 0.722 243 HG23 ILE 663 3HG2 ILE 663 -6.980 7.454 2.348 244 HD11 ILE 663 1HD1 ILE 663 -6.965 9.682 -0.988 245 HD12 ILE 663 2HD1 ILE 663 -7.064 11.245 -0.176 246 HD13 ILE 663 3HD1 ILE 663 -8.263 9.997 0.164 247 H ALA 664 H ALA 664 -4.409 5.784 2.168 248 HA ALA 664 HA ALA 664 -4.990 6.410 4.924 249 HB1 ALA 664 1HB ALA 664 -4.558 3.767 4.982 250 HB2 ALA 664 2HB ALA 664 -4.893 3.969 3.262 251 HB3 ALA 664 3HB ALA 664 -6.082 4.484 4.459 252 H VAL 665 H VAL 665 -2.189 5.703 3.010 253 HA VAL 665 HA VAL 665 -0.544 4.999 5.291 254 HB VAL 665 HB VAL 665 1.232 4.634 3.780 255 HG11 VAL 665 1HG1 VAL 665 0.371 2.887 2.654 256 HG12 VAL 665 2HG1 VAL 665 -0.840 3.875 1.836 257 HG13 VAL 665 3HG1 VAL 665 -1.118 3.326 3.490 258 HG21 VAL 665 1HG2 VAL 665 1.072 5.340 1.365 259 HG22 VAL 665 2HG2 VAL 665 1.280 6.651 2.527 260 HG23 VAL 665 3HG2 VAL 665 -0.308 6.333 1.831 261 H ILE 666 H ILE 666 -0.954 7.685 3.060 262 HA ILE 666 HA ILE 666 1.092 9.330 4.114 263 HB ILE 666 HB ILE 666 -1.363 9.891 2.467 264 HG12 ILE 666 2HG1 ILE 666 0.544 8.612 1.455 265 HG13 ILE 666 1HG1 ILE 666 0.181 10.124 0.631 266 HG21 ILE 666 1HG2 ILE 666 -0.267 12.135 2.024 267 HG22 ILE 666 2HG2 ILE 666 0.731 11.816 3.443 268 HG23 ILE 666 3HG2 ILE 666 -1.022 11.927 3.604 269 HD11 ILE 666 1HD1 ILE 666 2.072 11.190 1.631 270 HD12 ILE 666 2HD1 ILE 666 2.598 9.668 0.912 271 HD13 ILE 666 3HD1 ILE 666 2.376 9.789 2.658 272 H ALA 667 H ALA 667 -2.315 8.883 4.810 273 HA ALA 667 HA ALA 667 -3.062 11.037 6.244 274 HB1 ALA 667 1HB ALA 667 -4.067 8.562 5.900 275 HB2 ALA 667 2HB ALA 667 -4.745 9.756 7.009 276 HB3 ALA 667 3HB ALA 667 -3.658 8.505 7.615 277 H LEU 668 H LEU 668 -0.784 8.572 7.282 278 HA LEU 668 HA LEU 668 -0.534 9.672 9.937 279 HB2 LEU 668 2HB LEU 668 -0.343 7.296 9.696 280 HB3 LEU 668 1HB LEU 668 0.883 7.467 8.454 281 HG LEU 668 HG LEU 668 2.546 8.042 9.991 282 HD11 LEU 668 1HD1 LEU 668 2.137 8.715 12.283 283 HD12 LEU 668 2HD1 LEU 668 0.403 8.479 12.066 284 HD13 LEU 668 3HD1 LEU 668 1.236 9.756 11.178 285 HD21 LEU 668 1HD2 LEU 668 1.194 5.694 10.249 286 HD22 LEU 668 2HD2 LEU 668 1.201 6.288 11.910 287 HD23 LEU 668 3HD2 LEU 668 2.723 6.072 11.044 288 H PHE 669 H PHE 669 1.795 9.048 7.304 289 HA PHE 669 HA PHE 669 3.889 10.579 8.253 290 HB2 PHE 669 2HB PHE 669 3.197 9.276 5.800 291 HB3 PHE 669 1HB PHE 669 3.855 10.865 5.423 292 HD1 PHE 669 1HD PHE 669 4.836 7.733 5.325 293 HD2 PHE 669 2HD PHE 669 5.871 11.262 7.465 294 HE1 PHE 669 1HE PHE 669 7.112 6.860 5.656 295 HE2 PHE 669 2HE PHE 669 8.149 10.396 7.799 296 HZ PHE 669 HZ PHE 669 8.773 8.192 6.894 297 H ALA 670 H ALA 670 0.939 11.580 6.762 298 HA ALA 670 HA ALA 670 1.718 14.184 5.986 299 HB1 ALA 670 1HB ALA 670 -1.075 13.362 6.735 300 HB2 ALA 670 2HB ALA 670 -0.321 12.876 5.214 301 HB3 ALA 670 3HB ALA 670 -0.566 14.587 5.573 302 H ILE 671 H ILE 671 0.932 12.771 9.048 303 HA ILE 671 HA ILE 671 0.298 15.298 10.301 304 HB ILE 671 HB ILE 671 0.855 12.694 11.686 305 HG12 ILE 671 2HG1 ILE 671 -0.874 12.273 10.035 306 HG13 ILE 671 1HG1 ILE 671 -1.601 12.319 11.638 307 HG21 ILE 671 1HG2 ILE 671 -0.663 13.669 13.397 308 HG22 ILE 671 2HG2 ILE 671 -0.667 15.167 12.467 309 HG23 ILE 671 3HG2 ILE 671 0.837 14.567 13.166 310 HD11 ILE 671 1HD1 ILE 671 -1.672 14.937 10.530 311 HD12 ILE 671 2HD1 ILE 671 -3.012 13.877 10.966 312 HD13 ILE 671 3HD1 ILE 671 -2.313 13.795 9.349 313 H ALA 672 H ALA 672 2.962 13.057 10.127 314 HA ALA 672 HA ALA 672 4.592 14.164 12.119 315 HB1 ALA 672 1HB ALA 672 4.778 11.979 10.754 316 HB2 ALA 672 2HB ALA 672 6.252 12.791 11.288 317 HB3 ALA 672 3HB ALA 672 5.696 12.969 9.622 318 H LYS 673 H LYS 673 4.032 15.008 8.791 319 HA LYS 673 HA LYS 673 6.137 17.009 8.805 320 HB2 LYS 673 2HB LYS 673 5.060 17.449 6.438 321 HB3 LYS 673 1HB LYS 673 6.127 16.080 6.706 322 HG2 LYS 673 2HG LYS 673 4.526 14.615 6.224 323 HG3 LYS 673 1HG LYS 673 3.359 15.425 7.267 324 HD2 LYS 673 2HD LYS 673 2.300 15.972 5.378 325 HD3 LYS 673 1HD LYS 673 3.578 17.169 5.165 326 HE2 LYS 673 2HE LYS 673 4.874 15.246 4.029 327 HE3 LYS 673 1HE LYS 673 3.300 14.459 3.914 328 HZ1 LYS 673 1HZ LYS 673 3.191 15.585 1.992 329 HZ2 LYS 673 2HZ LYS 673 4.340 16.736 2.456 330 HZ3 LYS 673 3HZ LYS 673 2.735 16.890 2.968 331 H PHE 674 H PHE 674 2.802 16.771 9.474 332 HA PHE 674 HA PHE 674 2.280 19.593 8.969 333 HB2 PHE 674 2HB PHE 674 0.597 17.799 8.458 334 HB3 PHE 674 1HB PHE 674 0.448 17.529 10.191 335 HD1 PHE 674 1HD PHE 674 -0.587 19.211 11.625 336 HD2 PHE 674 2HD PHE 674 -0.369 19.718 7.405 337 HE1 PHE 674 1HE PHE 674 -2.289 20.984 11.754 338 HE2 PHE 674 2HE PHE 674 -2.069 21.493 7.526 339 HZ PHE 674 HZ PHE 674 -3.031 22.128 9.703 340 H VAL 675 H VAL 675 2.770 17.374 11.648 341 HA VAL 675 HA VAL 675 2.247 19.504 13.581 342 HB VAL 675 HB VAL 675 2.955 16.613 14.090 343 HG11 VAL 675 1HG1 VAL 675 3.409 17.488 16.123 344 HG12 VAL 675 2HG1 VAL 675 1.655 17.435 16.298 345 HG13 VAL 675 3HG1 VAL 675 2.450 18.939 15.832 346 HG21 VAL 675 1HG2 VAL 675 0.488 16.513 14.733 347 HG22 VAL 675 2HG2 VAL 675 0.873 16.561 13.013 348 HG23 VAL 675 3HG2 VAL 675 0.316 18.020 13.833 349 H PHE 676 H PHE 676 4.854 18.203 11.877 350 HA PHE 676 HA PHE 676 6.725 19.490 13.747 351 HB2 PHE 676 2HB PHE 676 7.462 16.997 12.224 352 HB3 PHE 676 1HB PHE 676 8.324 17.755 13.556 353 HD1 PHE 676 1HD PHE 676 5.017 16.190 12.818 354 HD2 PHE 676 2HD PHE 676 8.127 16.841 15.649 355 HE1 PHE 676 1HE PHE 676 3.885 14.685 14.401 356 HE2 PHE 676 2HE PHE 676 6.999 15.340 17.239 357 HZ PHE 676 HZ PHE 676 4.876 14.259 16.616 Start of MODEL 8 1 H1 GLY 630 1HT GLY 630 10.237 -16.568 6.063 2 H2 GLY 630 2HT GLY 630 11.704 -15.992 5.449 3 H3 GLY 630 3HT GLY 630 11.663 -17.446 6.312 4 HA2 GLY 630 HA2 GLY 630 10.939 -18.653 4.578 5 HA3 GLY 630 HA3 GLY 630 9.925 -17.342 3.996 6 H SER 631 H SER 631 10.506 -16.612 2.071 7 HA SER 631 HA SER 631 13.336 -16.811 1.295 8 HB2 SER 631 2HB SER 631 12.138 -18.062 -0.274 9 HB3 SER 631 1HB SER 631 10.783 -16.935 -0.282 10 HG SER 631 HG SER 631 13.375 -16.420 -1.323 11 H ASP 632 H ASP 632 10.506 -14.666 1.178 12 HA ASP 632 HA ASP 632 12.337 -12.405 1.129 13 HB2 ASP 632 2HB ASP 632 11.710 -12.740 -1.201 14 HB3 ASP 632 1HB ASP 632 10.011 -12.665 -0.759 15 H LYS 633 H LYS 633 9.027 -11.791 0.519 16 HA LYS 633 HA LYS 633 8.607 -10.092 2.629 17 HB2 LYS 633 2HB LYS 633 6.146 -10.567 2.273 18 HB3 LYS 633 1HB LYS 633 7.047 -10.075 0.845 19 HG2 LYS 633 2HG LYS 633 7.203 -12.421 0.148 20 HG3 LYS 633 1HG LYS 633 6.268 -12.893 1.568 21 HD2 LYS 633 2HD LYS 633 4.857 -12.761 -0.426 22 HD3 LYS 633 1HD LYS 633 4.380 -11.563 0.779 23 HE2 LYS 633 2HE LYS 633 5.440 -9.808 -0.436 24 HE3 LYS 633 1HE LYS 633 6.212 -10.953 -1.532 25 HZ1 LYS 633 1HZ LYS 633 4.320 -11.238 -2.717 26 HZ2 LYS 633 2HZ LYS 633 4.006 -9.672 -2.162 27 HZ3 LYS 633 3HZ LYS 633 3.297 -10.999 -1.390 28 H THR 634 H THR 634 8.049 -13.578 2.522 29 HA THR 634 HA THR 634 8.455 -13.905 5.263 30 HB THR 634 HB THR 634 5.789 -14.794 5.231 31 HG1 THR 634 1HG THR 634 4.719 -12.807 4.810 32 HG21 THR 634 1HG2 THR 634 5.574 -13.652 7.164 33 HG22 THR 634 2HG2 THR 634 6.390 -12.218 6.540 34 HG23 THR 634 3HG2 THR 634 7.333 -13.620 7.046 35 H LEU 635 H LEU 635 7.401 -15.075 2.300 36 HA LEU 635 HA LEU 635 8.752 -17.458 2.393 37 HB2 LEU 635 2HB LEU 635 7.248 -18.219 4.099 38 HB3 LEU 635 1HB LEU 635 5.860 -17.790 3.125 39 HG LEU 635 HG LEU 635 6.537 -20.272 3.279 40 HD11 LEU 635 1HD1 LEU 635 6.311 -19.381 0.445 41 HD12 LEU 635 2HD1 LEU 635 5.004 -19.016 1.572 42 HD13 LEU 635 3HD1 LEU 635 5.480 -20.689 1.287 43 HD21 LEU 635 1HD2 LEU 635 8.629 -19.228 1.373 44 HD22 LEU 635 2HD2 LEU 635 8.161 -20.925 1.486 45 HD23 LEU 635 3HD2 LEU 635 8.883 -20.116 2.876 46 HA PRO 636 HA PRO 636 5.568 -17.728 -1.288 47 HB2 PRO 636 2HB PRO 636 4.271 -15.250 -1.571 48 HB3 PRO 636 1HB PRO 636 3.533 -16.767 -1.057 49 HG2 PRO 636 2HG PRO 636 4.416 -14.454 0.557 50 HG3 PRO 636 1HG PRO 636 3.142 -15.639 0.886 51 HD2 PRO 636 2HD PRO 636 5.537 -15.621 2.168 52 HD3 PRO 636 1HD PRO 636 4.606 -17.099 1.903 53 H ASP 637 H ASP 637 7.348 -15.009 -0.147 54 HA ASP 637 HA ASP 637 8.462 -13.311 -1.282 55 HB2 ASP 637 2HB ASP 637 10.574 -14.211 -1.945 56 HB3 ASP 637 1HB ASP 637 9.967 -15.184 -0.610 57 H GLN 638 H GLN 638 6.433 -13.100 -2.719 58 HA GLN 638 HA GLN 638 5.443 -12.887 -4.784 59 HB2 GLN 638 2HB GLN 638 6.852 -11.553 -6.338 60 HB3 GLN 638 1HB GLN 638 6.827 -10.927 -4.696 61 HG2 GLN 638 2HG GLN 638 9.013 -11.585 -4.276 62 HG3 GLN 638 1HG GLN 638 9.023 -12.742 -5.606 63 HE21 GLN 638 1HE2 GLN 638 11.120 -11.443 -5.827 64 HE22 GLN 638 2HE2 GLN 638 11.053 -10.090 -6.899 65 H GLY 639 H GLY 639 5.436 -15.333 -4.927 66 HA2 GLY 639 2HA GLY 639 7.002 -16.157 -7.296 67 HA3 GLY 639 1HA GLY 639 6.664 -17.248 -5.961 68 H ASP 640 H ASP 640 4.029 -16.841 -5.462 69 HA ASP 640 HA ASP 640 2.810 -17.866 -7.920 70 HB2 ASP 640 2HB ASP 640 1.678 -17.964 -5.120 71 HB3 ASP 640 1HB ASP 640 1.135 -18.877 -6.525 72 H ASN 641 H ASN 641 2.593 -15.748 -8.858 73 HA ASN 641 HA ASN 641 1.422 -13.886 -9.431 74 HB2 ASN 641 2HB ASN 641 -0.485 -15.790 -8.502 75 HB3 ASN 641 1HB ASN 641 -0.995 -14.200 -7.944 76 HD21 ASN 641 1HD2 ASN 641 -0.172 -12.580 -9.961 77 HD22 ASN 641 2HD2 ASN 641 -1.015 -12.971 -11.417 78 H ASP 642 H ASP 642 2.802 -12.480 -8.296 79 HA ASP 642 HA ASP 642 2.489 -11.838 -5.558 80 HB2 ASP 642 2HB ASP 642 4.466 -11.378 -7.238 81 HB3 ASP 642 1HB ASP 642 3.612 -9.861 -7.504 82 H ASN 643 H ASN 643 0.930 -10.720 -8.454 83 HA ASN 643 HA ASN 643 -0.051 -8.252 -7.634 84 HB2 ASN 643 2HB ASN 643 -1.167 -10.331 -9.505 85 HB3 ASN 643 1HB ASN 643 -1.948 -8.773 -9.257 86 HD21 ASN 643 1HD2 ASN 643 -1.558 -8.566 -11.574 87 HD22 ASN 643 2HD2 ASN 643 -0.031 -7.963 -12.109 88 H TRP 644 H TRP 644 -0.910 -11.402 -6.542 89 HA TRP 644 HA TRP 644 -3.546 -11.203 -5.826 90 HB2 TRP 644 2HB TRP 644 -3.159 -12.905 -4.232 91 HB3 TRP 644 1HB TRP 644 -1.947 -13.163 -5.481 92 HD1 TRP 644 HD TRP 644 0.526 -11.791 -4.791 93 HE1 TRP 644 1HE TRP 644 1.746 -11.954 -2.531 94 HE3 TRP 644 3HE TRP 644 -3.372 -13.354 -1.880 95 HZ2 TRP 644 2HZ TRP 644 1.135 -12.657 0.135 96 HZ3 TRP 644 3HZ TRP 644 -2.972 -13.750 0.515 97 HH2 TRP 644 HH TRP 644 -0.764 -13.408 1.500 98 H TRP 645 H TRP 645 -0.815 -9.588 -4.382 99 HA TRP 645 HA TRP 645 -2.651 -7.995 -2.769 100 HB2 TRP 645 2HB TRP 645 -0.863 -9.981 -1.681 101 HB3 TRP 645 1HB TRP 645 -0.411 -8.380 -1.105 102 HD1 TRP 645 HD TRP 645 -3.749 -10.361 -1.443 103 HE1 TRP 645 1HE TRP 645 -5.129 -9.932 0.687 104 HE3 TRP 645 3HE TRP 645 -0.552 -7.185 0.971 105 HZ2 TRP 645 2HZ TRP 645 -4.894 -8.443 3.074 106 HZ3 TRP 645 3HZ TRP 645 -1.205 -6.303 3.173 107 HH2 TRP 645 HH TRP 645 -3.331 -6.919 4.201 108 H THR 646 H THR 646 -0.795 -7.714 -5.171 109 HA THR 646 HA THR 646 0.182 -5.110 -4.468 110 HB THR 646 HB THR 646 1.988 -6.691 -3.670 111 HG1 THR 646 1HG THR 646 3.588 -5.361 -4.435 112 HG21 THR 646 1HG2 THR 646 2.807 -8.263 -4.982 113 HG22 THR 646 2HG2 THR 646 3.341 -7.031 -6.125 114 HG23 THR 646 3HG2 THR 646 1.739 -7.752 -6.289 115 H GLY 647 H GLY 647 -1.625 -6.420 -6.406 116 HA2 GLY 647 2HA GLY 647 -0.494 -5.169 -8.810 117 HA3 GLY 647 1HA GLY 647 -1.083 -6.821 -8.918 118 H TRP 648 H TRP 648 -3.133 -7.100 -9.492 119 HA TRP 648 HA TRP 648 -4.799 -4.988 -10.224 120 HB2 TRP 648 2HB TRP 648 -6.591 -6.719 -10.368 121 HB3 TRP 648 1HB TRP 648 -5.102 -7.178 -11.187 122 HD1 TRP 648 HD TRP 648 -3.688 -9.191 -10.132 123 HE1 TRP 648 1HE TRP 648 -4.327 -11.056 -8.477 124 HE3 TRP 648 3HE TRP 648 -8.040 -7.213 -8.319 125 HZ2 TRP 648 2HZ TRP 648 -6.401 -11.614 -6.645 126 HZ3 TRP 648 3HZ TRP 648 -9.291 -8.476 -6.618 127 HH2 TRP 648 HH TRP 648 -8.487 -10.631 -5.800 128 H ARG 649 H ARG 649 -4.277 -6.430 -7.138 129 HA ARG 649 HA ARG 649 -6.750 -5.437 -6.001 130 HB2 ARG 649 2HB ARG 649 -5.860 -7.571 -5.210 131 HB3 ARG 649 1HB ARG 649 -4.358 -6.791 -4.738 132 HG2 ARG 649 2HG ARG 649 -5.769 -5.366 -3.176 133 HG3 ARG 649 1HG ARG 649 -7.072 -6.512 -3.493 134 HD2 ARG 649 2HD ARG 649 -5.141 -8.249 -2.903 135 HD3 ARG 649 1HD ARG 649 -4.543 -6.868 -1.985 136 HE ARG 649 HE ARG 649 -6.870 -8.466 -1.410 137 HH11 ARG 649 1HH1 ARG 649 -5.293 -5.394 -0.899 138 HH12 ARG 649 2HH1 ARG 649 -6.136 -5.067 0.578 139 HH21 ARG 649 1HH2 ARG 649 -7.979 -8.036 0.531 140 HH22 ARG 649 2HH2 ARG 649 -7.662 -6.565 1.389 141 H GLN 650 H GLN 650 -3.533 -4.406 -6.521 142 HA GLN 650 HA GLN 650 -3.336 -2.584 -4.366 143 HB2 GLN 650 2HB GLN 650 -1.676 -3.491 -6.488 144 HB3 GLN 650 1HB GLN 650 -1.715 -1.735 -6.553 145 HG2 GLN 650 2HG GLN 650 -1.334 -2.841 -3.869 146 HG3 GLN 650 1HG GLN 650 -0.039 -3.205 -5.008 147 HE21 GLN 650 1HE2 GLN 650 -2.077 -0.334 -4.905 148 HE22 GLN 650 2HE2 GLN 650 -0.802 0.783 -4.576 149 H TRP 651 H TRP 651 -4.820 -2.489 -7.475 150 HA TRP 651 HA TRP 651 -6.074 0.013 -6.929 151 HB2 TRP 651 2HB TRP 651 -5.162 1.193 -8.934 152 HB3 TRP 651 1HB TRP 651 -3.975 0.942 -7.660 153 HD1 TRP 651 HD TRP 651 -2.801 -1.815 -8.214 154 HE1 TRP 651 1HE TRP 651 -1.545 -2.361 -10.390 155 HE3 TRP 651 3HE TRP 651 -4.702 1.877 -11.199 156 HZ2 TRP 651 2HZ TRP 651 -1.379 -1.361 -13.025 157 HZ3 TRP 651 3HZ TRP 651 -3.940 2.013 -13.535 158 HH2 TRP 651 HH TRP 651 -2.312 0.427 -14.427 159 H ILE 652 H ILE 652 -7.495 -2.061 -7.237 160 HA ILE 652 HA ILE 652 -7.999 -2.946 -9.875 161 HB ILE 652 HB ILE 652 -8.631 -4.213 -7.816 162 HG12 ILE 652 2HG1 ILE 652 -11.090 -4.644 -8.856 163 HG13 ILE 652 1HG1 ILE 652 -10.340 -3.768 -10.187 164 HG21 ILE 652 1HG2 ILE 652 -9.648 -2.707 -6.372 165 HG22 ILE 652 2HG2 ILE 652 -10.999 -3.663 -6.981 166 HG23 ILE 652 3HG2 ILE 652 -10.696 -2.054 -7.631 167 HD11 ILE 652 1HD1 ILE 652 -8.423 -5.609 -9.482 168 HD12 ILE 652 2HD1 ILE 652 -9.549 -5.737 -10.833 169 HD13 ILE 652 3HD1 ILE 652 -9.937 -6.492 -9.287 170 HA PRO 653 HA PRO 653 -11.404 0.330 -10.049 171 HB2 PRO 653 2HB PRO 653 -11.495 2.239 -8.095 172 HB3 PRO 653 1HB PRO 653 -12.313 0.680 -7.983 173 HG2 PRO 653 2HG PRO 653 -10.059 1.651 -6.454 174 HG3 PRO 653 1HG PRO 653 -10.979 0.155 -6.239 175 HD2 PRO 653 2HD PRO 653 -8.399 0.588 -7.583 176 HD3 PRO 653 1HD PRO 653 -9.115 -0.916 -6.975 177 H ALA 654 H ALA 654 -9.282 2.505 -8.222 178 HA ALA 654 HA ALA 654 -7.595 3.470 -10.128 179 HB1 ALA 654 1HB ALA 654 -10.340 4.539 -10.485 180 HB2 ALA 654 2HB ALA 654 -9.082 4.223 -11.679 181 HB3 ALA 654 3HB ALA 654 -8.990 5.658 -10.660 182 H GLY 655 H GLY 655 -6.599 3.540 -8.039 183 HA2 GLY 655 2HA GLY 655 -5.541 5.222 -6.692 184 HA3 GLY 655 1HA GLY 655 -7.048 6.126 -6.711 185 H ILE 656 H ILE 656 -6.425 2.711 -5.975 186 HA ILE 656 HA ILE 656 -7.809 3.089 -3.413 187 HB ILE 656 HB ILE 656 -8.424 1.280 -5.237 188 HG12 ILE 656 2HG1 ILE 656 -9.041 -0.283 -3.260 189 HG13 ILE 656 1HG1 ILE 656 -8.365 0.988 -2.246 190 HG21 ILE 656 1HG2 ILE 656 -7.320 -0.777 -5.067 191 HG22 ILE 656 2HG2 ILE 656 -6.500 -0.304 -3.577 192 HG23 ILE 656 3HG2 ILE 656 -6.028 0.422 -5.108 193 HD11 ILE 656 1HD1 ILE 656 -10.048 2.464 -2.749 194 HD12 ILE 656 2HD1 ILE 656 -10.912 0.927 -2.763 195 HD13 ILE 656 3HD1 ILE 656 -10.426 1.680 -4.282 196 H GLY 657 H GLY 657 -4.819 1.945 -4.859 197 HA2 GLY 657 2HA GLY 657 -3.707 1.548 -2.151 198 HA3 GLY 657 1HA GLY 657 -3.144 0.695 -3.582 199 H VAL 658 H VAL 658 -3.196 2.962 -5.313 200 HA VAL 658 HA VAL 658 -0.659 4.129 -4.592 201 HB VAL 658 HB VAL 658 -1.165 3.429 -6.917 202 HG11 VAL 658 1HG1 VAL 658 -3.539 4.067 -6.935 203 HG12 VAL 658 2HG1 VAL 658 -2.657 4.732 -8.310 204 HG13 VAL 658 3HG1 VAL 658 -3.068 5.767 -6.943 205 HG21 VAL 658 1HG2 VAL 658 -0.743 6.405 -6.855 206 HG22 VAL 658 2HG2 VAL 658 -0.057 5.220 -7.967 207 HG23 VAL 658 3HG2 VAL 658 0.482 5.269 -6.289 208 H THR 659 H THR 659 -3.992 5.152 -4.998 209 HA THR 659 HA THR 659 -3.316 7.720 -3.724 210 HB THR 659 HB THR 659 -5.458 7.089 -5.762 211 HG1 THR 659 1HG THR 659 -3.183 7.639 -6.350 212 HG21 THR 659 1HG2 THR 659 -5.014 9.728 -4.394 213 HG22 THR 659 2HG2 THR 659 -6.344 8.624 -4.040 214 HG23 THR 659 3HG2 THR 659 -6.207 9.356 -5.639 215 H GLY 660 H GLY 660 -5.052 4.795 -3.518 216 HA2 GLY 660 2HA GLY 660 -7.108 5.766 -1.738 217 HA3 GLY 660 1HA GLY 660 -6.803 4.090 -2.174 218 H VAL 661 H VAL 661 -4.228 3.715 -1.426 219 HA VAL 661 HA VAL 661 -4.459 3.640 1.456 220 HB VAL 661 HB VAL 661 -2.324 2.555 -0.390 221 HG11 VAL 661 1HG1 VAL 661 -2.549 2.602 2.583 222 HG12 VAL 661 2HG1 VAL 661 -1.125 2.783 1.557 223 HG13 VAL 661 3HG1 VAL 661 -1.842 1.189 1.799 224 HG21 VAL 661 1HG2 VAL 661 -4.833 1.623 -0.083 225 HG22 VAL 661 2HG2 VAL 661 -4.021 0.767 1.227 226 HG23 VAL 661 3HG2 VAL 661 -3.443 0.594 -0.430 227 H VAL 662 H VAL 662 -1.915 4.669 -0.799 228 HA VAL 662 HA VAL 662 -0.169 5.936 0.821 229 HB VAL 662 HB VAL 662 -1.148 6.781 -1.893 230 HG11 VAL 662 1HG1 VAL 662 1.291 7.788 -0.416 231 HG12 VAL 662 2HG1 VAL 662 -0.154 8.730 -0.785 232 HG13 VAL 662 3HG1 VAL 662 0.879 8.150 -2.092 233 HG21 VAL 662 1HG2 VAL 662 0.936 4.946 -0.860 234 HG22 VAL 662 2HG2 VAL 662 1.320 5.871 -2.312 235 HG23 VAL 662 3HG2 VAL 662 -0.090 4.812 -2.288 236 H ILE 663 H ILE 663 -3.316 7.105 -0.126 237 HA ILE 663 HA ILE 663 -2.914 9.750 0.904 238 HB ILE 663 HB ILE 663 -4.540 8.838 -0.945 239 HG12 ILE 663 2HG1 ILE 663 -6.050 10.859 -0.430 240 HG13 ILE 663 1HG1 ILE 663 -5.020 11.106 0.977 241 HG21 ILE 663 1HG2 ILE 663 -6.489 8.967 1.329 242 HG22 ILE 663 2HG2 ILE 663 -5.748 7.446 0.829 243 HG23 ILE 663 3HG2 ILE 663 -6.733 8.363 -0.310 244 HD11 ILE 663 1HD1 ILE 663 -4.465 11.545 -1.883 245 HD12 ILE 663 2HD1 ILE 663 -3.137 10.919 -0.906 246 HD13 ILE 663 3HD1 ILE 663 -3.916 12.438 -0.465 247 H ALA 664 H ALA 664 -4.363 6.772 2.082 248 HA ALA 664 HA ALA 664 -5.443 8.015 4.448 249 HB1 ALA 664 1HB ALA 664 -6.766 6.241 3.943 250 HB2 ALA 664 2HB ALA 664 -5.641 5.426 5.030 251 HB3 ALA 664 3HB ALA 664 -5.433 5.292 3.284 252 H VAL 665 H VAL 665 -2.489 6.412 3.538 253 HA VAL 665 HA VAL 665 -1.654 5.983 6.272 254 HB VAL 665 HB VAL 665 -0.889 4.310 4.792 255 HG11 VAL 665 1HG1 VAL 665 0.759 5.403 2.879 256 HG12 VAL 665 2HG1 VAL 665 -0.602 6.521 2.922 257 HG13 VAL 665 3HG1 VAL 665 -0.879 4.808 2.615 258 HG21 VAL 665 1HG2 VAL 665 0.820 5.589 6.355 259 HG22 VAL 665 2HG2 VAL 665 1.598 5.914 4.808 260 HG23 VAL 665 3HG2 VAL 665 1.319 4.250 5.321 261 H ILE 666 H ILE 666 -1.081 8.199 3.632 262 HA ILE 666 HA ILE 666 1.021 9.641 4.958 263 HB ILE 666 HB ILE 666 -0.614 10.160 2.484 264 HG12 ILE 666 2HG1 ILE 666 1.085 8.336 2.415 265 HG13 ILE 666 1HG1 ILE 666 1.435 9.645 1.291 266 HG21 ILE 666 1HG2 ILE 666 1.077 11.977 2.021 267 HG22 ILE 666 2HG2 ILE 666 1.548 11.851 3.716 268 HG23 ILE 666 3HG2 ILE 666 -0.097 12.323 3.290 269 HD11 ILE 666 1HD1 ILE 666 3.001 10.560 3.039 270 HD12 ILE 666 2HD1 ILE 666 3.481 9.041 2.283 271 HD13 ILE 666 3HD1 ILE 666 2.782 9.038 3.902 272 H ALA 667 H ALA 667 -2.431 9.973 4.412 273 HA ALA 667 HA ALA 667 -3.030 12.512 5.077 274 HB1 ALA 667 1HB ALA 667 -4.939 11.171 6.506 275 HB2 ALA 667 2HB ALA 667 -4.359 9.937 5.386 276 HB3 ALA 667 3HB ALA 667 -4.977 11.467 4.767 277 H LEU 668 H LEU 668 -1.897 10.031 7.289 278 HA LEU 668 HA LEU 668 -2.303 11.682 9.619 279 HB2 LEU 668 2HB LEU 668 -2.591 9.285 9.799 280 HB3 LEU 668 1HB LEU 668 -0.958 9.013 9.219 281 HG LEU 668 HG LEU 668 0.009 9.635 11.227 282 HD11 LEU 668 1HD1 LEU 668 -2.555 11.034 11.975 283 HD12 LEU 668 2HD1 LEU 668 -1.083 11.819 11.403 284 HD13 LEU 668 3HD1 LEU 668 -1.087 10.968 12.950 285 HD21 LEU 668 1HD2 LEU 668 -2.397 8.765 12.637 286 HD22 LEU 668 2HD2 LEU 668 -0.796 8.030 12.561 287 HD23 LEU 668 3HD2 LEU 668 -1.960 7.743 11.267 288 H PHE 669 H PHE 669 0.576 10.093 8.216 289 HA PHE 669 HA PHE 669 2.498 11.495 9.635 290 HB2 PHE 669 2HB PHE 669 2.503 9.597 7.610 291 HB3 PHE 669 1HB PHE 669 3.317 10.978 6.881 292 HD1 PHE 669 1HD PHE 669 4.869 12.151 8.951 293 HD2 PHE 669 2HD PHE 669 4.039 8.034 8.267 294 HE1 PHE 669 1HE PHE 669 6.946 11.542 10.122 295 HE2 PHE 669 2HE PHE 669 6.114 7.417 9.437 296 HZ PHE 669 HZ PHE 669 7.570 9.172 10.367 297 H ALA 670 H ALA 670 0.563 12.485 6.953 298 HA ALA 670 HA ALA 670 2.118 14.656 6.054 299 HB1 ALA 670 1HB ALA 670 0.228 15.299 4.791 300 HB2 ALA 670 2HB ALA 670 -0.881 14.482 5.892 301 HB3 ALA 670 3HB ALA 670 0.186 13.534 4.852 302 H ILE 671 H ILE 671 0.011 14.232 8.793 303 HA ILE 671 HA ILE 671 -0.264 17.076 9.254 304 HB ILE 671 HB ILE 671 -1.022 14.837 11.112 305 HG12 ILE 671 2HG1 ILE 671 -2.090 14.576 8.883 306 HG13 ILE 671 1HG1 ILE 671 -3.253 14.912 10.161 307 HG21 ILE 671 1HG2 ILE 671 -1.932 17.699 10.906 308 HG22 ILE 671 2HG2 ILE 671 -0.921 17.001 12.172 309 HG23 ILE 671 3HG2 ILE 671 -2.603 16.496 12.008 310 HD11 ILE 671 1HD1 ILE 671 -2.328 16.676 7.939 311 HD12 ILE 671 2HD1 ILE 671 -3.012 17.367 9.410 312 HD13 ILE 671 3HD1 ILE 671 -3.969 16.257 8.430 313 H ALA 672 H ALA 672 1.544 14.369 10.482 314 HA ALA 672 HA ALA 672 2.651 15.536 12.770 315 HB1 ALA 672 1HB ALA 672 4.443 13.835 12.444 316 HB2 ALA 672 2HB ALA 672 3.702 13.442 10.891 317 HB3 ALA 672 3HB ALA 672 2.803 13.187 12.387 318 H LYS 673 H LYS 673 3.450 15.788 9.398 319 HA LYS 673 HA LYS 673 5.898 17.248 9.948 320 HB2 LYS 673 2HB LYS 673 5.766 17.443 7.308 321 HB3 LYS 673 1HB LYS 673 6.339 15.982 8.098 322 HG2 LYS 673 2HG LYS 673 4.654 14.761 7.298 323 HG3 LYS 673 1HG LYS 673 3.455 15.992 7.694 324 HD2 LYS 673 2HD LYS 673 3.277 16.220 5.471 325 HD3 LYS 673 1HD LYS 673 4.754 17.173 5.628 326 HE2 LYS 673 2HE LYS 673 5.510 14.448 5.494 327 HE3 LYS 673 1HE LYS 673 4.335 14.732 4.210 328 HZ1 LYS 673 1HZ LYS 673 6.509 15.183 3.375 329 HZ2 LYS 673 2HZ LYS 673 6.866 16.214 4.668 330 HZ3 LYS 673 3HZ LYS 673 5.700 16.662 3.527 331 H PHE 674 H PHE 674 2.596 17.868 9.401 332 HA PHE 674 HA PHE 674 3.024 20.576 8.428 333 HB2 PHE 674 2HB PHE 674 1.053 18.818 7.924 334 HB3 PHE 674 1HB PHE 674 0.330 19.675 9.279 335 HD1 PHE 674 1HD PHE 674 0.783 22.376 9.029 336 HD2 PHE 674 2HD PHE 674 0.375 19.552 5.872 337 HE1 PHE 674 1HE PHE 674 0.078 24.180 7.511 338 HE2 PHE 674 2HE PHE 674 -0.330 21.351 4.348 339 HZ PHE 674 HZ PHE 674 -0.479 23.669 5.168 340 H VAL 675 H VAL 675 2.063 18.889 11.360 341 HA VAL 675 HA VAL 675 1.626 21.435 12.735 342 HB VAL 675 HB VAL 675 1.250 18.625 13.776 343 HG11 VAL 675 1HG1 VAL 675 1.232 19.682 15.752 344 HG12 VAL 675 2HG1 VAL 675 -0.351 20.278 15.254 345 HG13 VAL 675 3HG1 VAL 675 1.083 21.272 15.005 346 HG21 VAL 675 1HG2 VAL 675 -0.215 19.512 11.816 347 HG22 VAL 675 2HG2 VAL 675 -0.985 20.479 13.074 348 HG23 VAL 675 3HG2 VAL 675 -0.982 18.719 13.192 349 H PHE 676 H PHE 676 4.063 19.094 12.283 350 HA PHE 676 HA PHE 676 5.612 20.304 14.476 351 HB2 PHE 676 2HB PHE 676 5.989 17.426 13.685 352 HB3 PHE 676 1HB PHE 676 6.528 18.244 15.144 353 HD1 PHE 676 1HD PHE 676 3.371 17.350 13.366 354 HD2 PHE 676 2HD PHE 676 5.359 17.908 17.088 355 HE1 PHE 676 1HE PHE 676 1.371 16.545 14.552 356 HE2 PHE 676 2HE PHE 676 3.362 17.107 18.280 357 HZ PHE 676 HZ PHE 676 1.365 16.423 17.012 Start of MODEL 9 1 H1 GLY 630 1HT GLY 630 8.350 -22.867 2.528 2 H2 GLY 630 2HT GLY 630 7.248 -22.668 1.260 3 H3 GLY 630 3HT GLY 630 6.690 -22.806 2.850 4 HA2 GLY 630 HA2 GLY 630 6.776 -20.486 1.795 5 HA3 GLY 630 HA3 GLY 630 7.348 -20.696 3.443 6 H SER 631 H SER 631 8.117 -18.570 1.772 7 HA SER 631 HA SER 631 10.991 -19.133 1.539 8 HB2 SER 631 2HB SER 631 9.166 -17.924 -0.493 9 HB3 SER 631 1HB SER 631 10.818 -17.318 -0.384 10 HG SER 631 HG SER 631 10.223 -20.076 -0.581 11 H ASP 632 H ASP 632 8.550 -16.534 1.649 12 HA ASP 632 HA ASP 632 10.260 -15.136 3.549 13 HB2 ASP 632 2HB ASP 632 10.716 -14.094 1.402 14 HB3 ASP 632 1HB ASP 632 8.996 -13.822 1.159 15 H LYS 633 H LYS 633 7.431 -13.789 2.076 16 HA LYS 633 HA LYS 633 6.184 -13.228 4.538 17 HB2 LYS 633 2HB LYS 633 4.144 -12.799 3.004 18 HB3 LYS 633 1HB LYS 633 5.566 -11.783 2.822 19 HG2 LYS 633 2HG LYS 633 6.033 -12.564 0.759 20 HG3 LYS 633 1HG LYS 633 5.474 -14.196 1.129 21 HD2 LYS 633 2HD LYS 633 3.544 -11.914 0.876 22 HD3 LYS 633 1HD LYS 633 4.118 -12.786 -0.547 23 HE2 LYS 633 2HE LYS 633 2.276 -14.038 -0.095 24 HE3 LYS 633 1HE LYS 633 3.430 -14.878 0.940 25 HZ1 LYS 633 1HZ LYS 633 2.252 -12.683 2.305 26 HZ2 LYS 633 2HZ LYS 633 2.266 -14.321 2.726 27 HZ3 LYS 633 3HZ LYS 633 1.055 -13.720 1.709 28 H THR 634 H THR 634 5.759 -15.827 2.199 29 HA THR 634 HA THR 634 4.631 -17.534 4.151 30 HB THR 634 HB THR 634 2.751 -16.917 1.905 31 HG1 THR 634 1HG THR 634 2.832 -15.727 4.473 32 HG21 THR 634 1HG2 THR 634 2.340 -19.006 3.069 33 HG22 THR 634 2HG2 THR 634 1.059 -17.838 3.389 34 HG23 THR 634 3HG2 THR 634 2.293 -18.150 4.609 35 H LEU 635 H LEU 635 5.355 -16.870 0.916 36 HA LEU 635 HA LEU 635 6.829 -19.116 0.395 37 HB2 LEU 635 2HB LEU 635 4.994 -20.560 0.535 38 HB3 LEU 635 1HB LEU 635 3.934 -19.445 -0.297 39 HG LEU 635 HG LEU 635 4.633 -21.533 -1.568 40 HD11 LEU 635 1HD1 LEU 635 5.479 -19.221 -3.203 41 HD12 LEU 635 2HD1 LEU 635 3.888 -19.122 -2.452 42 HD13 LEU 635 3HD1 LEU 635 4.271 -20.465 -3.527 43 HD21 LEU 635 1HD2 LEU 635 7.258 -20.137 -1.330 44 HD22 LEU 635 2HD2 LEU 635 6.887 -21.012 -2.815 45 HD23 LEU 635 3HD2 LEU 635 6.881 -21.859 -1.269 46 HA PRO 636 HA PRO 636 5.604 -16.958 -3.826 47 HB2 PRO 636 2HB PRO 636 4.342 -14.525 -2.705 48 HB3 PRO 636 1HB PRO 636 3.895 -15.471 -4.127 49 HG2 PRO 636 2HG PRO 636 2.460 -15.546 -1.856 50 HG3 PRO 636 1HG PRO 636 2.635 -16.958 -2.911 51 HD2 PRO 636 2HD PRO 636 3.928 -16.368 -0.298 52 HD3 PRO 636 1HD PRO 636 3.438 -17.923 -0.993 53 H ASP 637 H ASP 637 6.413 -15.522 -0.790 54 HA ASP 637 HA ASP 637 7.829 -13.785 -0.215 55 HB2 ASP 637 2HB ASP 637 10.085 -14.556 -0.392 56 HB3 ASP 637 1HB ASP 637 9.044 -15.959 -0.183 57 H GLN 638 H GLN 638 6.506 -12.692 -2.166 58 HA GLN 638 HA GLN 638 6.502 -11.241 -3.932 59 HB2 GLN 638 2HB GLN 638 8.255 -9.453 -3.683 60 HB3 GLN 638 1HB GLN 638 7.301 -9.780 -2.243 61 HG2 GLN 638 2HG GLN 638 9.101 -11.038 -1.271 62 HG3 GLN 638 1HG GLN 638 10.052 -10.890 -2.748 63 HE21 GLN 638 1HE2 GLN 638 11.751 -9.741 -2.058 64 HE22 GLN 638 2HE2 GLN 638 11.657 -8.168 -1.351 65 H GLY 639 H GLY 639 6.752 -12.350 -5.814 66 HA2 GLY 639 2HA GLY 639 8.722 -11.855 -7.579 67 HA3 GLY 639 1HA GLY 639 9.375 -13.219 -6.684 68 H ASP 640 H ASP 640 6.730 -14.404 -6.259 69 HA ASP 640 HA ASP 640 6.398 -15.543 -8.945 70 HB2 ASP 640 2HB ASP 640 6.860 -16.816 -6.570 71 HB3 ASP 640 1HB ASP 640 5.106 -16.924 -6.690 72 H ASN 641 H ASN 641 4.711 -13.913 -6.364 73 HA ASN 641 HA ASN 641 2.548 -13.236 -8.094 74 HB2 ASN 641 2HB ASN 641 2.142 -15.676 -7.154 75 HB3 ASN 641 1HB ASN 641 1.599 -14.794 -5.729 76 HD21 ASN 641 1HD2 ASN 641 1.279 -14.288 -9.228 77 HD22 ASN 641 2HD2 ASN 641 -0.442 -14.131 -9.218 78 H ASP 642 H ASP 642 4.372 -11.734 -6.604 79 HA ASP 642 HA ASP 642 3.428 -10.874 -4.104 80 HB2 ASP 642 2HB ASP 642 5.653 -10.358 -5.507 81 HB3 ASP 642 1HB ASP 642 4.756 -8.888 -5.875 82 H ASN 643 H ASN 643 2.316 -10.239 -7.302 83 HA ASN 643 HA ASN 643 1.104 -7.762 -7.061 84 HB2 ASN 643 2HB ASN 643 0.224 -10.196 -8.619 85 HB3 ASN 643 1HB ASN 643 -0.467 -8.590 -8.828 86 HD21 ASN 643 1HD2 ASN 643 0.303 -7.584 -10.523 87 HD22 ASN 643 2HD2 ASN 643 1.914 -7.693 -11.137 88 H TRP 644 H TRP 644 0.203 -10.766 -5.597 89 HA TRP 644 HA TRP 644 -2.508 -10.546 -5.241 90 HB2 TRP 644 2HB TRP 644 -2.309 -12.030 -3.424 91 HB3 TRP 644 1HB TRP 644 -0.919 -12.394 -4.441 92 HD1 TRP 644 HD TRP 644 1.358 -10.737 -3.574 93 HE1 TRP 644 1HE TRP 644 2.246 -10.616 -1.163 94 HE3 TRP 644 3HE TRP 644 -2.808 -12.359 -1.099 95 HZ2 TRP 644 2HZ TRP 644 1.304 -11.145 1.447 96 HZ3 TRP 644 3HZ TRP 644 -2.732 -12.525 1.355 97 HH2 TRP 644 HH TRP 644 -0.718 -11.930 2.600 98 H TRP 645 H TRP 645 0.003 -8.661 -3.736 99 HA TRP 645 HA TRP 645 -2.037 -6.934 -2.567 100 HB2 TRP 645 2HB TRP 645 -0.950 -8.732 -0.919 101 HB3 TRP 645 1HB TRP 645 0.313 -7.508 -0.834 102 HD1 TRP 645 HD TRP 645 -1.611 -4.932 -0.913 103 HE1 TRP 645 1HE TRP 645 -3.000 -4.362 1.177 104 HE3 TRP 645 3HE TRP 645 -1.602 -9.519 1.346 105 HZ2 TRP 645 2HZ TRP 645 -3.965 -5.681 3.478 106 HZ3 TRP 645 3HZ TRP 645 -2.781 -9.780 3.490 107 HH2 TRP 645 HH TRP 645 -3.937 -7.899 4.533 108 H THR 646 H THR 646 0.065 -6.904 -4.767 109 HA THR 646 HA THR 646 0.907 -4.200 -4.317 110 HB THR 646 HB THR 646 2.638 -5.610 -3.123 111 HG1 THR 646 1HG THR 646 3.228 -3.570 -3.726 112 HG21 THR 646 1HG2 THR 646 2.723 -6.987 -5.601 113 HG22 THR 646 2HG2 THR 646 3.637 -7.297 -4.126 114 HG23 THR 646 3HG2 THR 646 4.278 -6.195 -5.344 115 H GLY 647 H GLY 647 -0.638 -5.833 -6.246 116 HA2 GLY 647 2HA GLY 647 0.628 -4.770 -8.656 117 HA3 GLY 647 1HA GLY 647 0.303 -6.497 -8.621 118 H TRP 648 H TRP 648 -1.852 -7.231 -8.632 119 HA TRP 648 HA TRP 648 -3.641 -5.548 -10.096 120 HB2 TRP 648 2HB TRP 648 -5.161 -7.479 -10.041 121 HB3 TRP 648 1HB TRP 648 -3.536 -7.960 -10.519 122 HD1 TRP 648 HD TRP 648 -2.439 -9.863 -9.162 123 HE1 TRP 648 1HE TRP 648 -3.069 -11.181 -7.043 124 HE3 TRP 648 3HE TRP 648 -6.465 -7.096 -7.649 125 HZ2 TRP 648 2HZ TRP 648 -5.014 -11.064 -5.001 126 HZ3 TRP 648 3HZ TRP 648 -7.654 -7.767 -5.602 127 HH2 TRP 648 HH TRP 648 -6.943 -9.710 -4.307 128 H ARG 649 H ARG 649 -3.170 -6.314 -6.762 129 HA ARG 649 HA ARG 649 -5.800 -5.406 -5.955 130 HB2 ARG 649 2HB ARG 649 -4.744 -7.247 -4.734 131 HB3 ARG 649 1HB ARG 649 -3.383 -6.212 -4.325 132 HG2 ARG 649 2HG ARG 649 -4.751 -4.843 -2.929 133 HG3 ARG 649 1HG ARG 649 -6.216 -5.665 -3.473 134 HD2 ARG 649 2HD ARG 649 -5.729 -7.594 -2.281 135 HD3 ARG 649 1HD ARG 649 -4.009 -7.217 -2.181 136 HE ARG 649 HE ARG 649 -4.430 -6.096 -0.243 137 HH11 ARG 649 1HH1 ARG 649 -7.419 -6.349 -2.028 138 HH12 ARG 649 2HH1 ARG 649 -8.378 -5.657 -0.763 139 HH21 ARG 649 1HH2 ARG 649 -5.691 -5.186 1.422 140 HH22 ARG 649 2HH2 ARG 649 -7.398 -4.998 1.196 141 H GLN 650 H GLN 650 -2.826 -4.027 -6.724 142 HA GLN 650 HA GLN 650 -2.716 -1.925 -4.858 143 HB2 GLN 650 2HB GLN 650 -1.294 -2.734 -7.246 144 HB3 GLN 650 1HB GLN 650 -1.522 -0.992 -7.208 145 HG2 GLN 650 2HG GLN 650 -0.698 -1.828 -4.626 146 HG3 GLN 650 1HG GLN 650 0.374 -2.566 -5.815 147 HE21 GLN 650 1HE2 GLN 650 2.157 -1.403 -5.901 148 HE22 GLN 650 2HE2 GLN 650 2.245 0.319 -6.006 149 H TRP 651 H TRP 651 -4.812 -2.513 -7.456 150 HA TRP 651 HA TRP 651 -6.240 -0.097 -7.045 151 HB2 TRP 651 2HB TRP 651 -5.958 0.770 -9.388 152 HB3 TRP 651 1HB TRP 651 -4.532 0.932 -8.370 153 HD1 TRP 651 HD TRP 651 -2.873 -1.501 -8.692 154 HE1 TRP 651 1HE TRP 651 -2.026 -2.384 -10.954 155 HE3 TRP 651 3HE TRP 651 -6.276 0.756 -11.769 156 HZ2 TRP 651 2HZ TRP 651 -2.709 -2.155 -13.684 157 HZ3 TRP 651 3HZ TRP 651 -6.109 0.372 -14.194 158 HH2 TRP 651 HH TRP 651 -4.361 -1.053 -15.130 159 H ILE 652 H ILE 652 -7.152 -2.580 -6.794 160 HA ILE 652 HA ILE 652 -8.325 -3.514 -9.259 161 HB ILE 652 HB ILE 652 -7.571 -5.100 -7.508 162 HG12 ILE 652 2HG1 ILE 652 -10.497 -5.572 -7.778 163 HG13 ILE 652 1HG1 ILE 652 -9.563 -5.377 -9.257 164 HG21 ILE 652 1HG2 ILE 652 -9.280 -5.491 -5.639 165 HG22 ILE 652 2HG2 ILE 652 -9.812 -3.843 -5.966 166 HG23 ILE 652 3HG2 ILE 652 -8.150 -4.149 -5.462 167 HD11 ILE 652 1HD1 ILE 652 -9.857 -7.728 -8.539 168 HD12 ILE 652 2HD1 ILE 652 -8.907 -7.362 -7.098 169 HD13 ILE 652 3HD1 ILE 652 -8.171 -7.235 -8.696 170 HA PRO 653 HA PRO 653 -12.267 -1.766 -7.318 171 HB2 PRO 653 2HB PRO 653 -12.075 -0.065 -5.208 172 HB3 PRO 653 1HB PRO 653 -12.148 -1.819 -5.035 173 HG2 PRO 653 2HG PRO 653 -9.908 -0.013 -4.566 174 HG3 PRO 653 1HG PRO 653 -10.097 -1.706 -4.090 175 HD2 PRO 653 2HD PRO 653 -8.634 -0.589 -6.342 176 HD3 PRO 653 1HD PRO 653 -8.639 -2.249 -5.726 177 H ALA 654 H ALA 654 -10.408 1.035 -6.190 178 HA ALA 654 HA ALA 654 -10.151 2.568 -8.420 179 HB1 ALA 654 1HB ALA 654 -12.244 4.062 -8.157 180 HB2 ALA 654 2HB ALA 654 -12.963 2.644 -7.393 181 HB3 ALA 654 3HB ALA 654 -12.383 2.552 -9.057 182 H GLY 655 H GLY 655 -8.447 3.115 -6.997 183 HA2 GLY 655 2HA GLY 655 -7.626 5.094 -5.911 184 HA3 GLY 655 1HA GLY 655 -9.187 5.257 -5.120 185 H ILE 656 H ILE 656 -7.198 2.347 -5.395 186 HA ILE 656 HA ILE 656 -7.157 2.189 -2.464 187 HB ILE 656 HB ILE 656 -8.003 0.284 -4.070 188 HG12 ILE 656 2HG1 ILE 656 -6.854 -1.379 -2.359 189 HG13 ILE 656 1HG1 ILE 656 -6.414 0.120 -1.548 190 HG21 ILE 656 1HG2 ILE 656 -5.136 -0.538 -3.867 191 HG22 ILE 656 2HG2 ILE 656 -5.726 0.379 -5.251 192 HG23 ILE 656 3HG2 ILE 656 -6.413 -1.205 -4.887 193 HD11 ILE 656 1HD1 ILE 656 -9.242 -0.224 -2.355 194 HD12 ILE 656 2HD1 ILE 656 -8.552 0.582 -0.946 195 HD13 ILE 656 3HD1 ILE 656 -8.647 -1.178 -0.997 196 H GLY 657 H GLY 657 -5.117 2.329 -5.297 197 HA2 GLY 657 2HA GLY 657 -2.719 2.170 -3.588 198 HA3 GLY 657 1HA GLY 657 -2.739 1.907 -5.329 199 H VAL 658 H VAL 658 -4.419 4.079 -5.965 200 HA VAL 658 HA VAL 658 -2.479 6.215 -5.945 201 HB VAL 658 HB VAL 658 -3.798 5.639 -7.971 202 HG11 VAL 658 1HG1 VAL 658 -6.143 6.310 -8.122 203 HG12 VAL 658 2HG1 VAL 658 -6.127 6.757 -6.416 204 HG13 VAL 658 3HG1 VAL 658 -5.907 5.072 -6.889 205 HG21 VAL 658 1HG2 VAL 658 -4.723 8.166 -8.165 206 HG22 VAL 658 2HG2 VAL 658 -3.021 7.730 -8.323 207 HG23 VAL 658 3HG2 VAL 658 -3.638 8.332 -6.784 208 H THR 659 H THR 659 -5.643 5.512 -4.599 209 HA THR 659 HA THR 659 -5.478 7.978 -2.997 210 HB THR 659 HB THR 659 -7.917 6.450 -3.924 211 HG1 THR 659 1HG THR 659 -7.629 7.751 -5.542 212 HG21 THR 659 1HG2 THR 659 -8.214 7.399 -1.648 213 HG22 THR 659 2HG2 THR 659 -9.289 8.085 -2.868 214 HG23 THR 659 3HG2 THR 659 -7.878 8.993 -2.324 215 H GLY 660 H GLY 660 -5.629 4.542 -2.952 216 HA2 GLY 660 2HA GLY 660 -6.565 4.345 -0.227 217 HA3 GLY 660 1HA GLY 660 -5.996 3.021 -1.235 218 H VAL 661 H VAL 661 -3.470 3.937 -1.904 219 HA VAL 661 HA VAL 661 -2.055 3.437 0.569 220 HB VAL 661 HB VAL 661 -1.011 3.836 -2.241 221 HG11 VAL 661 1HG1 VAL 661 0.903 4.271 -1.116 222 HG12 VAL 661 2HG1 VAL 661 0.957 2.513 -0.981 223 HG13 VAL 661 3HG1 VAL 661 0.343 3.482 0.359 224 HG21 VAL 661 1HG2 VAL 661 -2.465 1.772 -1.535 225 HG22 VAL 661 2HG2 VAL 661 -0.964 1.240 -0.778 226 HG23 VAL 661 3HG2 VAL 661 -1.013 1.555 -2.512 227 H VAL 662 H VAL 662 -1.729 5.848 -2.013 228 HA VAL 662 HA VAL 662 -0.039 7.647 -0.924 229 HB VAL 662 HB VAL 662 -2.528 8.153 -2.534 230 HG11 VAL 662 1HG1 VAL 662 -1.973 10.210 -1.333 231 HG12 VAL 662 2HG1 VAL 662 -1.617 10.377 -3.052 232 HG13 VAL 662 3HG1 VAL 662 -0.307 10.105 -1.903 233 HG21 VAL 662 1HG2 VAL 662 -0.653 6.798 -3.506 234 HG22 VAL 662 2HG2 VAL 662 0.359 8.238 -3.386 235 HG23 VAL 662 3HG2 VAL 662 -1.075 8.251 -4.413 236 H ILE 663 H ILE 663 -3.375 7.145 -0.034 237 HA ILE 663 HA ILE 663 -3.541 9.504 1.590 238 HB ILE 663 HB ILE 663 -5.406 8.137 0.368 239 HG12 ILE 663 2HG1 ILE 663 -6.697 8.932 2.782 240 HG13 ILE 663 1HG1 ILE 663 -5.353 10.033 2.500 241 HG21 ILE 663 1HG2 ILE 663 -5.825 6.969 3.086 242 HG22 ILE 663 2HG2 ILE 663 -4.834 6.126 1.896 243 HG23 ILE 663 3HG2 ILE 663 -6.522 6.489 1.538 244 HD11 ILE 663 1HD1 ILE 663 -6.224 10.759 0.465 245 HD12 ILE 663 2HD1 ILE 663 -7.627 10.643 1.528 246 HD13 ILE 663 3HD1 ILE 663 -7.317 9.380 0.337 247 H ALA 664 H ALA 664 -2.853 6.103 2.125 248 HA ALA 664 HA ALA 664 -2.943 6.344 4.998 249 HB1 ALA 664 1HB ALA 664 -2.481 4.169 3.052 250 HB2 ALA 664 2HB ALA 664 -3.473 4.199 4.509 251 HB3 ALA 664 3HB ALA 664 -1.727 3.987 4.636 252 H VAL 665 H VAL 665 -0.546 6.603 2.488 253 HA VAL 665 HA VAL 665 1.683 6.413 4.318 254 HB VAL 665 HB VAL 665 2.157 5.537 2.177 255 HG11 VAL 665 1HG1 VAL 665 0.805 6.170 0.511 256 HG12 VAL 665 2HG1 VAL 665 1.943 7.494 0.259 257 HG13 VAL 665 3HG1 VAL 665 0.503 7.746 1.241 258 HG21 VAL 665 1HG2 VAL 665 3.734 7.384 3.242 259 HG22 VAL 665 2HG2 VAL 665 3.382 8.189 1.715 260 HG23 VAL 665 3HG2 VAL 665 4.116 6.586 1.717 261 H ILE 666 H ILE 666 -0.197 8.835 2.660 262 HA ILE 666 HA ILE 666 1.498 11.035 3.428 263 HB ILE 666 HB ILE 666 -1.212 10.848 2.129 264 HG12 ILE 666 2HG1 ILE 666 0.795 10.221 0.786 265 HG13 ILE 666 1HG1 ILE 666 -0.061 11.616 0.137 266 HG21 ILE 666 1HG2 ILE 666 0.337 13.294 2.942 267 HG22 ILE 666 2HG2 ILE 666 -1.325 12.866 3.347 268 HG23 ILE 666 3HG2 ILE 666 -0.910 13.325 1.696 269 HD11 ILE 666 1HD1 ILE 666 2.651 11.410 0.707 270 HD12 ILE 666 2HD1 ILE 666 1.990 12.443 1.975 271 HD13 ILE 666 3HD1 ILE 666 1.757 12.869 0.280 272 H ALA 667 H ALA 667 -1.516 9.545 4.435 273 HA ALA 667 HA ALA 667 -2.672 11.321 6.104 274 HB1 ALA 667 1HB ALA 667 -2.452 8.403 6.042 275 HB2 ALA 667 2HB ALA 667 -3.874 9.435 6.183 276 HB3 ALA 667 3HB ALA 667 -2.901 9.076 7.611 277 H LEU 668 H LEU 668 0.336 9.612 6.695 278 HA LEU 668 HA LEU 668 0.513 10.517 9.426 279 HB2 LEU 668 2HB LEU 668 1.424 8.356 8.869 280 HB3 LEU 668 1HB LEU 668 2.432 9.056 7.615 281 HG LEU 668 HG LEU 668 3.936 9.961 9.140 282 HD11 LEU 668 1HD1 LEU 668 2.267 11.101 10.533 283 HD12 LEU 668 2HD1 LEU 668 3.490 10.281 11.508 284 HD13 LEU 668 3HD1 LEU 668 1.888 9.566 11.317 285 HD21 LEU 668 1HD2 LEU 668 4.778 8.068 9.984 286 HD22 LEU 668 2HD2 LEU 668 3.375 7.293 9.248 287 HD23 LEU 668 3HD2 LEU 668 3.339 7.747 10.952 288 H PHE 669 H PHE 669 2.630 10.924 6.573 289 HA PHE 669 HA PHE 669 4.168 13.011 7.567 290 HB2 PHE 669 2HB PHE 669 3.841 11.679 5.083 291 HB3 PHE 669 1HB PHE 669 3.758 13.407 4.756 292 HD1 PHE 669 1HD PHE 669 5.627 14.754 6.229 293 HD2 PHE 669 2HD PHE 669 5.907 10.745 4.830 294 HE1 PHE 669 1HE PHE 669 8.081 14.892 6.337 295 HE2 PHE 669 2HE PHE 669 8.361 10.874 4.937 296 HZ PHE 669 HZ PHE 669 9.452 12.950 5.692 297 H ALA 670 H ALA 670 0.940 13.005 6.358 298 HA ALA 670 HA ALA 670 0.707 15.762 5.767 299 HB1 ALA 670 1HB ALA 670 -1.550 13.954 6.591 300 HB2 ALA 670 2HB ALA 670 -0.814 13.887 4.988 301 HB3 ALA 670 3HB ALA 670 -1.608 15.365 5.535 302 H ILE 671 H ILE 671 0.687 13.957 8.736 303 HA ILE 671 HA ILE 671 -0.647 16.052 10.221 304 HB ILE 671 HB ILE 671 0.789 13.667 11.348 305 HG12 ILE 671 2HG1 ILE 671 -2.175 13.693 11.003 306 HG13 ILE 671 1HG1 ILE 671 -1.184 13.332 9.595 307 HG21 ILE 671 1HG2 ILE 671 -1.418 15.389 12.456 308 HG22 ILE 671 2HG2 ILE 671 0.279 15.446 12.931 309 HG23 ILE 671 3HG2 ILE 671 -0.681 14.004 13.261 310 HD11 ILE 671 1HD1 ILE 671 -0.066 11.562 11.017 311 HD12 ILE 671 2HD1 ILE 671 -1.737 11.261 10.542 312 HD13 ILE 671 3HD1 ILE 671 -1.372 11.818 12.174 313 H ALA 672 H ALA 672 2.578 14.817 9.744 314 HA ALA 672 HA ALA 672 3.912 16.243 11.747 315 HB1 ALA 672 1HB ALA 672 4.997 15.547 9.038 316 HB2 ALA 672 2HB ALA 672 4.794 14.376 10.340 317 HB3 ALA 672 3HB ALA 672 5.896 15.739 10.544 318 H LYS 673 H LYS 673 2.764 17.158 8.602 319 HA LYS 673 HA LYS 673 4.131 19.719 8.691 320 HB2 LYS 673 2HB LYS 673 2.663 19.990 6.497 321 HB3 LYS 673 1HB LYS 673 4.170 19.088 6.499 322 HG2 LYS 673 2HG LYS 673 3.149 17.173 5.993 323 HG3 LYS 673 1HG LYS 673 1.866 17.440 7.173 324 HD2 LYS 673 2HD LYS 673 0.538 17.710 5.395 325 HD3 LYS 673 1HD LYS 673 1.281 19.306 5.269 326 HE2 LYS 673 2HE LYS 673 3.001 17.420 4.015 327 HE3 LYS 673 1HE LYS 673 1.365 17.158 3.412 328 HZ1 LYS 673 1HZ LYS 673 2.006 18.786 2.002 329 HZ2 LYS 673 2HZ LYS 673 3.120 19.462 3.080 330 HZ3 LYS 673 3HZ LYS 673 1.469 19.785 3.258 331 H PHE 674 H PHE 674 1.133 18.370 9.603 332 HA PHE 674 HA PHE 674 -0.257 20.937 9.517 333 HB2 PHE 674 2HB PHE 674 -1.103 18.314 9.223 334 HB3 PHE 674 1HB PHE 674 -1.662 18.749 10.832 335 HD1 PHE 674 1HD PHE 674 -2.991 20.937 11.051 336 HD2 PHE 674 2HD PHE 674 -2.313 18.946 7.352 337 HE1 PHE 674 1HE PHE 674 -4.908 22.124 10.065 338 HE2 PHE 674 2HE PHE 674 -4.228 20.129 6.358 339 HZ PHE 674 HZ PHE 674 -5.528 21.721 7.715 340 H VAL 675 H VAL 675 1.151 18.684 11.812 341 HA VAL 675 HA VAL 675 0.197 20.290 14.060 342 HB VAL 675 HB VAL 675 1.815 17.742 14.115 343 HG11 VAL 675 1HG1 VAL 675 0.526 17.822 16.470 344 HG12 VAL 675 2HG1 VAL 675 0.742 19.550 16.187 345 HG13 VAL 675 3HG1 VAL 675 2.144 18.481 16.227 346 HG21 VAL 675 1HG2 VAL 675 -1.147 18.079 14.553 347 HG22 VAL 675 2HG2 VAL 675 -0.233 16.571 14.539 348 HG23 VAL 675 3HG2 VAL 675 -0.423 17.501 13.053 349 H PHE 676 H PHE 676 2.827 20.259 12.008 350 HA PHE 676 HA PHE 676 4.417 21.757 13.970 351 HB2 PHE 676 2HB PHE 676 5.703 19.882 11.990 352 HB3 PHE 676 1HB PHE 676 6.454 20.702 13.352 353 HD1 PHE 676 1HD PHE 676 3.729 18.251 12.647 354 HD2 PHE 676 2HD PHE 676 6.834 19.508 15.271 355 HE1 PHE 676 1HE PHE 676 3.341 16.266 14.049 356 HE2 PHE 676 2HE PHE 676 6.450 17.528 16.681 357 HZ PHE 676 HZ PHE 676 4.703 15.904 16.069 Start of MODEL 10 1 H1 GLY 630 1HT GLY 630 10.760 -21.526 3.558 2 H2 GLY 630 2HT GLY 630 9.348 -22.225 2.945 3 H3 GLY 630 3HT GLY 630 9.256 -20.824 3.888 4 HA2 GLY 630 HA2 GLY 630 10.318 -21.103 1.138 5 HA3 GLY 630 HA3 GLY 630 8.958 -20.126 1.670 6 H SER 631 H SER 631 9.606 -18.115 1.133 7 HA SER 631 HA SER 631 12.188 -17.204 2.220 8 HB2 SER 631 2HB SER 631 10.818 -16.686 -0.354 9 HB3 SER 631 1HB SER 631 11.607 -15.298 0.394 10 HG SER 631 HG SER 631 13.539 -16.436 0.396 11 H ASP 632 H ASP 632 8.795 -16.321 1.694 12 HA ASP 632 HA ASP 632 8.955 -14.609 4.031 13 HB2 ASP 632 2HB ASP 632 9.367 -13.091 2.169 14 HB3 ASP 632 1HB ASP 632 7.876 -13.623 1.406 15 H LYS 633 H LYS 633 6.280 -14.300 1.899 16 HA LYS 633 HA LYS 633 4.324 -14.881 3.731 17 HB2 LYS 633 2HB LYS 633 2.828 -15.268 1.761 18 HB3 LYS 633 1HB LYS 633 3.755 -13.776 1.689 19 HG2 LYS 633 2HG LYS 633 5.418 -15.049 0.258 20 HG3 LYS 633 1HG LYS 633 4.190 -16.311 0.143 21 HD2 LYS 633 2HD LYS 633 4.077 -14.808 -1.775 22 HD3 LYS 633 1HD LYS 633 2.614 -14.690 -0.795 23 HE2 LYS 633 2HE LYS 633 4.715 -12.814 -0.012 24 HE3 LYS 633 1HE LYS 633 4.130 -12.577 -1.659 25 HZ1 LYS 633 1HZ LYS 633 2.736 -12.222 0.878 26 HZ2 LYS 633 2HZ LYS 633 1.825 -12.831 -0.411 27 HZ3 LYS 633 3HZ LYS 633 2.610 -11.340 -0.560 28 H THR 634 H THR 634 5.976 -17.107 1.547 29 HA THR 634 HA THR 634 5.610 -19.311 3.198 30 HB THR 634 HB THR 634 4.066 -20.304 1.075 31 HG1 THR 634 1HG THR 634 2.329 -18.919 1.022 32 HG21 THR 634 1HG2 THR 634 2.345 -19.761 3.231 33 HG22 THR 634 2HG2 THR 634 3.919 -20.174 3.911 34 HG23 THR 634 3HG2 THR 634 3.116 -21.288 2.804 35 H LEU 635 H LEU 635 6.373 -18.001 0.207 36 HA LEU 635 HA LEU 635 8.706 -19.391 -0.165 37 HB2 LEU 635 2HB LEU 635 7.435 -21.392 -0.522 38 HB3 LEU 635 1HB LEU 635 6.431 -20.593 -1.711 39 HG LEU 635 HG LEU 635 8.276 -22.191 -2.536 40 HD11 LEU 635 1HD1 LEU 635 6.935 -20.329 -3.792 41 HD12 LEU 635 2HD1 LEU 635 8.318 -21.110 -4.558 42 HD13 LEU 635 3HD1 LEU 635 8.499 -19.515 -3.827 43 HD21 LEU 635 1HD2 LEU 635 10.125 -21.429 -1.228 44 HD22 LEU 635 2HD2 LEU 635 9.914 -19.769 -1.789 45 HD23 LEU 635 3HD2 LEU 635 10.455 -21.019 -2.911 46 HA PRO 636 HA PRO 636 7.614 -17.229 -4.375 47 HB2 PRO 636 2HB PRO 636 5.280 -15.710 -4.138 48 HB3 PRO 636 1HB PRO 636 5.446 -17.214 -5.044 49 HG2 PRO 636 2HG PRO 636 4.282 -16.738 -2.361 50 HG3 PRO 636 1HG PRO 636 3.863 -17.961 -3.571 51 HD2 PRO 636 2HD PRO 636 5.272 -18.514 -1.316 52 HD3 PRO 636 1HD PRO 636 5.474 -19.425 -2.817 53 H ASP 637 H ASP 637 6.975 -16.161 -1.171 54 HA ASP 637 HA ASP 637 7.190 -14.110 -0.135 55 HB2 ASP 637 2HB ASP 637 9.501 -13.741 0.273 56 HB3 ASP 637 1HB ASP 637 9.294 -15.469 0.009 57 H GLN 638 H GLN 638 5.881 -13.355 -2.225 58 HA GLN 638 HA GLN 638 5.498 -11.754 -3.818 59 HB2 GLN 638 2HB GLN 638 6.103 -9.462 -3.022 60 HB3 GLN 638 1HB GLN 638 5.245 -10.438 -1.839 61 HG2 GLN 638 2HG GLN 638 7.272 -10.875 -0.639 62 HG3 GLN 638 1HG GLN 638 8.231 -10.080 -1.887 63 HE21 GLN 638 1HE2 GLN 638 7.904 -9.545 1.010 64 HE22 GLN 638 2HE2 GLN 638 7.443 -7.883 1.115 65 H GLY 639 H GLY 639 7.119 -13.037 -5.178 66 HA2 GLY 639 2HA GLY 639 9.192 -11.148 -6.086 67 HA3 GLY 639 1HA GLY 639 9.587 -12.843 -5.848 68 H ASP 640 H ASP 640 7.782 -14.300 -6.976 69 HA ASP 640 HA ASP 640 7.948 -13.598 -9.786 70 HB2 ASP 640 2HB ASP 640 7.575 -16.060 -8.220 71 HB3 ASP 640 1HB ASP 640 6.624 -15.997 -9.701 72 H ASN 641 H ASN 641 5.573 -13.789 -7.257 73 HA ASN 641 HA ASN 641 3.626 -12.505 -8.963 74 HB2 ASN 641 2HB ASN 641 3.477 -15.193 -8.951 75 HB3 ASN 641 1HB ASN 641 2.518 -14.847 -7.516 76 HD21 ASN 641 1HD2 ASN 641 2.900 -13.558 -10.803 77 HD22 ASN 641 2HD2 ASN 641 1.208 -13.437 -11.134 78 H ASP 642 H ASP 642 3.867 -10.773 -7.534 79 HA ASP 642 HA ASP 642 2.899 -11.223 -4.792 80 HB2 ASP 642 2HB ASP 642 4.081 -9.219 -4.148 81 HB3 ASP 642 1HB ASP 642 5.188 -10.254 -5.042 82 H ASN 643 H ASN 643 2.396 -9.451 -7.742 83 HA ASN 643 HA ASN 643 0.708 -7.421 -6.934 84 HB2 ASN 643 2HB ASN 643 -0.267 -7.598 -9.242 85 HB3 ASN 643 1HB ASN 643 1.490 -7.498 -9.190 86 HD21 ASN 643 1HD2 ASN 643 2.327 -8.706 -10.716 87 HD22 ASN 643 2HD2 ASN 643 1.808 -10.292 -11.164 88 H TRP 644 H TRP 644 0.038 -10.834 -7.221 89 HA TRP 644 HA TRP 644 -2.690 -10.922 -7.472 90 HB2 TRP 644 2HB TRP 644 -2.640 -13.054 -6.329 91 HB3 TRP 644 1HB TRP 644 -1.205 -12.908 -7.339 92 HD1 TRP 644 HD TRP 644 0.986 -11.777 -5.776 93 HE1 TRP 644 1HE TRP 644 1.793 -12.661 -3.496 94 HE3 TRP 644 3HE TRP 644 -3.221 -14.307 -4.359 95 HZ2 TRP 644 2HZ TRP 644 0.777 -14.234 -1.380 96 HZ3 TRP 644 3HZ TRP 644 -3.223 -15.477 -2.194 97 HH2 TRP 644 HH TRP 644 -1.264 -15.440 -0.737 98 H TRP 645 H TRP 645 -0.848 -9.839 -4.722 99 HA TRP 645 HA TRP 645 -3.297 -8.920 -3.468 100 HB2 TRP 645 2HB TRP 645 -2.347 -11.339 -2.641 101 HB3 TRP 645 1HB TRP 645 -1.527 -10.250 -1.526 102 HD1 TRP 645 HD TRP 645 -4.375 -8.300 -1.830 103 HE1 TRP 645 1HE TRP 645 -6.261 -8.921 -0.194 104 HE3 TRP 645 3HE TRP 645 -2.815 -12.995 -0.536 105 HZ2 TRP 645 2HZ TRP 645 -6.992 -11.110 1.431 106 HZ3 TRP 645 3HZ TRP 645 -4.165 -14.285 1.067 107 HH2 TRP 645 HH TRP 645 -6.210 -13.360 2.029 108 H THR 646 H THR 646 -0.847 -7.760 -4.697 109 HA THR 646 HA THR 646 -0.459 -5.678 -2.812 110 HB THR 646 HB THR 646 1.013 -7.561 -1.913 111 HG1 THR 646 1HG THR 646 1.331 -5.415 -1.294 112 HG21 THR 646 1HG2 THR 646 2.114 -7.439 -4.538 113 HG22 THR 646 2HG2 THR 646 2.525 -8.513 -3.201 114 HG23 THR 646 3HG2 THR 646 3.340 -6.958 -3.365 115 H GLY 647 H GLY 647 -1.196 -6.038 -5.586 116 HA2 GLY 647 2HA GLY 647 0.648 -4.082 -6.726 117 HA3 GLY 647 1HA GLY 647 0.454 -5.590 -7.608 118 H TRP 648 H TRP 648 -1.455 -6.002 -8.710 119 HA TRP 648 HA TRP 648 -2.847 -3.745 -9.674 120 HB2 TRP 648 2HB TRP 648 -4.158 -5.288 -10.967 121 HB3 TRP 648 1HB TRP 648 -2.500 -5.876 -10.939 122 HD1 TRP 648 HD TRP 648 -2.069 -8.242 -9.902 123 HE1 TRP 648 1HE TRP 648 -3.613 -10.097 -9.007 124 HE3 TRP 648 3HE TRP 648 -6.448 -5.613 -9.661 125 HZ2 TRP 648 2HZ TRP 648 -6.326 -10.406 -8.292 126 HZ3 TRP 648 3HZ TRP 648 -8.471 -6.762 -8.862 127 HH2 TRP 648 HH TRP 648 -8.410 -9.109 -8.192 128 H ARG 649 H ARG 649 -3.335 -5.741 -6.927 129 HA ARG 649 HA ARG 649 -6.125 -5.057 -6.609 130 HB2 ARG 649 2HB ARG 649 -4.197 -6.868 -5.283 131 HB3 ARG 649 1HB ARG 649 -5.442 -6.184 -4.248 132 HG2 ARG 649 2HG ARG 649 -7.176 -7.112 -5.618 133 HG3 ARG 649 1HG ARG 649 -5.997 -7.656 -6.813 134 HD2 ARG 649 2HD ARG 649 -6.061 -9.607 -5.717 135 HD3 ARG 649 1HD ARG 649 -5.056 -8.799 -4.516 136 HE ARG 649 HE ARG 649 -6.844 -8.764 -3.077 137 HH11 ARG 649 1HH1 ARG 649 -7.960 -9.610 -6.275 138 HH12 ARG 649 2HH1 ARG 649 -9.549 -10.042 -5.741 139 HH21 ARG 649 1HH2 ARG 649 -8.934 -9.331 -2.375 140 HH22 ARG 649 2HH2 ARG 649 -10.103 -9.882 -3.527 141 H GLN 650 H GLN 650 -3.048 -3.848 -5.768 142 HA GLN 650 HA GLN 650 -3.761 -2.470 -3.405 143 HB2 GLN 650 2HB GLN 650 -1.428 -2.610 -5.190 144 HB3 GLN 650 1HB GLN 650 -1.623 -1.075 -4.357 145 HG2 GLN 650 2HG GLN 650 -1.862 -3.544 -2.741 146 HG3 GLN 650 1HG GLN 650 -0.260 -3.100 -3.327 147 HE21 GLN 650 1HE2 GLN 650 -0.763 -3.186 -0.654 148 HE22 GLN 650 2HE2 GLN 650 -0.762 -1.587 0.000 149 H TRP 651 H TRP 651 -4.212 -1.846 -6.753 150 HA TRP 651 HA TRP 651 -5.638 0.591 -6.149 151 HB2 TRP 651 2HB TRP 651 -4.384 1.891 -7.903 152 HB3 TRP 651 1HB TRP 651 -3.470 1.557 -6.435 153 HD1 TRP 651 HD TRP 651 -2.105 -1.079 -6.834 154 HE1 TRP 651 1HE TRP 651 -0.480 -1.554 -8.773 155 HE3 TRP 651 3HE TRP 651 -3.631 2.561 -10.083 156 HZ2 TRP 651 2HZ TRP 651 0.082 -0.521 -11.339 157 HZ3 TRP 651 3HZ TRP 651 -2.498 2.750 -12.259 158 HH2 TRP 651 HH TRP 651 -0.679 1.241 -12.872 159 H ILE 652 H ILE 652 -6.933 -1.518 -6.907 160 HA ILE 652 HA ILE 652 -7.046 -2.052 -9.689 161 HB ILE 652 HB ILE 652 -9.511 -2.382 -8.042 162 HG12 ILE 652 2HG1 ILE 652 -8.059 -4.708 -7.564 163 HG13 ILE 652 1HG1 ILE 652 -6.899 -3.418 -7.276 164 HG21 ILE 652 1HG2 ILE 652 -9.821 -4.328 -9.339 165 HG22 ILE 652 2HG2 ILE 652 -8.142 -4.326 -9.879 166 HG23 ILE 652 3HG2 ILE 652 -9.253 -3.082 -10.451 167 HD11 ILE 652 1HD1 ILE 652 -8.328 -2.424 -5.633 168 HD12 ILE 652 2HD1 ILE 652 -8.123 -4.135 -5.257 169 HD13 ILE 652 3HD1 ILE 652 -9.617 -3.569 -6.004 170 HA PRO 653 HA PRO 653 -10.520 1.150 -9.883 171 HB2 PRO 653 2HB PRO 653 -11.433 2.255 -7.547 172 HB3 PRO 653 1HB PRO 653 -12.021 0.731 -8.215 173 HG2 PRO 653 2HG PRO 653 -10.467 1.165 -5.818 174 HG3 PRO 653 1HG PRO 653 -11.164 -0.345 -6.421 175 HD2 PRO 653 2HD PRO 653 -8.413 0.670 -6.645 176 HD3 PRO 653 1HD PRO 653 -9.023 -0.988 -6.816 177 H ALA 654 H ALA 654 -9.464 2.727 -6.898 178 HA ALA 654 HA ALA 654 -7.427 4.343 -7.715 179 HB1 ALA 654 1HB ALA 654 -8.536 5.342 -9.493 180 HB2 ALA 654 2HB ALA 654 -8.781 6.504 -8.189 181 HB3 ALA 654 3HB ALA 654 -10.076 5.393 -8.635 182 H GLY 655 H GLY 655 -6.857 4.339 -5.586 183 HA2 GLY 655 2HA GLY 655 -6.806 5.728 -3.626 184 HA3 GLY 655 1HA GLY 655 -8.533 5.983 -3.811 185 H ILE 656 H ILE 656 -6.781 2.917 -3.943 186 HA ILE 656 HA ILE 656 -8.312 2.039 -1.580 187 HB ILE 656 HB ILE 656 -8.870 0.895 -3.721 188 HG12 ILE 656 2HG1 ILE 656 -8.418 -1.478 -2.763 189 HG13 ILE 656 1HG1 ILE 656 -7.718 -0.622 -1.393 190 HG21 ILE 656 1HG2 ILE 656 -6.361 1.026 -4.393 191 HG22 ILE 656 2HG2 ILE 656 -7.358 -0.322 -4.943 192 HG23 ILE 656 3HG2 ILE 656 -6.263 -0.531 -3.575 193 HD11 ILE 656 1HD1 ILE 656 -10.550 -0.480 -2.383 194 HD12 ILE 656 2HD1 ILE 656 -9.884 0.588 -1.147 195 HD13 ILE 656 3HD1 ILE 656 -9.969 -1.150 -0.859 196 H GLY 657 H GLY 657 -5.178 1.867 -3.228 197 HA2 GLY 657 2HA GLY 657 -3.940 1.239 -0.635 198 HA3 GLY 657 1HA GLY 657 -3.528 0.277 -2.048 199 H VAL 658 H VAL 658 -3.095 1.865 -4.034 200 HA VAL 658 HA VAL 658 -0.664 3.172 -3.450 201 HB VAL 658 HB VAL 658 -1.474 2.194 -5.690 202 HG11 VAL 658 1HG1 VAL 658 -2.647 4.957 -5.971 203 HG12 VAL 658 2HG1 VAL 658 -3.569 3.461 -5.822 204 HG13 VAL 658 3HG1 VAL 658 -2.546 3.729 -7.233 205 HG21 VAL 658 1HG2 VAL 658 0.063 3.507 -6.911 206 HG22 VAL 658 2HG2 VAL 658 0.642 3.517 -5.245 207 HG23 VAL 658 3HG2 VAL 658 -0.213 4.918 -5.889 208 H THR 659 H THR 659 -3.943 4.293 -3.982 209 HA THR 659 HA THR 659 -3.154 6.976 -3.068 210 HB THR 659 HB THR 659 -5.401 6.118 -4.900 211 HG1 THR 659 1HG THR 659 -3.855 6.520 -6.258 212 HG21 THR 659 1HG2 THR 659 -4.844 8.923 -3.978 213 HG22 THR 659 2HG2 THR 659 -6.151 7.917 -3.354 214 HG23 THR 659 3HG2 THR 659 -6.128 8.379 -5.057 215 H GLY 660 H GLY 660 -4.970 4.157 -2.403 216 HA2 GLY 660 2HA GLY 660 -6.900 5.423 -0.675 217 HA3 GLY 660 1HA GLY 660 -6.665 3.696 -0.906 218 H VAL 661 H VAL 661 -4.018 3.397 -0.223 219 HA VAL 661 HA VAL 661 -4.172 3.640 2.656 220 HB VAL 661 HB VAL 661 -2.083 2.361 0.884 221 HG11 VAL 661 1HG1 VAL 661 -1.626 1.273 3.290 222 HG12 VAL 661 2HG1 VAL 661 -2.141 2.883 3.793 223 HG13 VAL 661 3HG1 VAL 661 -0.770 2.697 2.699 224 HG21 VAL 661 1HG2 VAL 661 -3.167 0.391 1.143 225 HG22 VAL 661 2HG2 VAL 661 -4.560 1.451 1.358 226 HG23 VAL 661 3HG2 VAL 661 -3.730 0.789 2.766 227 H VAL 662 H VAL 662 -1.700 4.431 0.232 228 HA VAL 662 HA VAL 662 0.071 5.887 1.656 229 HB VAL 662 HB VAL 662 -0.988 6.425 -1.108 230 HG11 VAL 662 1HG1 VAL 662 0.006 8.491 -0.233 231 HG12 VAL 662 2HG1 VAL 662 1.015 7.790 -1.500 232 HG13 VAL 662 3HG1 VAL 662 1.473 7.609 0.194 233 HG21 VAL 662 1HG2 VAL 662 0.073 4.396 -1.233 234 HG22 VAL 662 2HG2 VAL 662 1.226 4.793 0.040 235 HG23 VAL 662 3HG2 VAL 662 1.417 5.486 -1.571 236 H ILE 663 H ILE 663 -3.114 6.902 0.664 237 HA ILE 663 HA ILE 663 -2.723 9.646 1.403 238 HB ILE 663 HB ILE 663 -4.361 8.540 -0.325 239 HG12 ILE 663 2HG1 ILE 663 -3.995 10.960 0.051 240 HG13 ILE 663 1HG1 ILE 663 -5.674 10.585 -0.321 241 HG21 ILE 663 1HG2 ILE 663 -5.535 7.345 1.632 242 HG22 ILE 663 2HG2 ILE 663 -6.524 8.075 0.368 243 HG23 ILE 663 3HG2 ILE 663 -6.315 8.902 1.912 244 HD11 ILE 663 1HD1 ILE 663 -6.192 11.802 1.457 245 HD12 ILE 663 2HD1 ILE 663 -4.523 11.822 2.025 246 HD13 ILE 663 3HD1 ILE 663 -5.576 10.467 2.431 247 H ALA 664 H ALA 664 -4.102 6.785 2.902 248 HA ALA 664 HA ALA 664 -5.181 8.248 5.141 249 HB1 ALA 664 1HB ALA 664 -6.474 6.411 4.884 250 HB2 ALA 664 2HB ALA 664 -5.285 5.709 5.981 251 HB3 ALA 664 3HB ALA 664 -5.154 5.434 4.244 252 H VAL 665 H VAL 665 -2.209 6.603 4.364 253 HA VAL 665 HA VAL 665 -1.324 6.488 7.114 254 HB VAL 665 HB VAL 665 -0.554 4.681 5.797 255 HG11 VAL 665 1HG1 VAL 665 -0.311 6.702 3.713 256 HG12 VAL 665 2HG1 VAL 665 -0.589 4.966 3.581 257 HG13 VAL 665 3HG1 VAL 665 1.052 5.586 3.761 258 HG21 VAL 665 1HG2 VAL 665 1.727 6.636 5.960 259 HG22 VAL 665 2HG2 VAL 665 1.859 4.880 5.872 260 HG23 VAL 665 3HG2 VAL 665 1.136 5.641 7.289 261 H ILE 666 H ILE 666 -0.904 8.450 4.269 262 HA ILE 666 HA ILE 666 1.201 10.068 5.396 263 HB ILE 666 HB ILE 666 -0.448 10.252 2.882 264 HG12 ILE 666 2HG1 ILE 666 1.293 8.476 3.015 265 HG13 ILE 666 1HG1 ILE 666 1.617 9.659 1.752 266 HG21 ILE 666 1HG2 ILE 666 0.014 12.507 3.423 267 HG22 ILE 666 2HG2 ILE 666 1.205 12.043 2.208 268 HG23 ILE 666 3HG2 ILE 666 1.667 12.131 3.908 269 HD11 ILE 666 1HD1 ILE 666 3.301 8.829 3.850 270 HD12 ILE 666 2HD1 ILE 666 2.886 10.517 4.147 271 HD13 ILE 666 3HD1 ILE 666 3.613 10.044 2.611 272 H ALA 667 H ALA 667 -2.260 10.229 4.845 273 HA ALA 667 HA ALA 667 -2.912 12.825 5.210 274 HB1 ALA 667 1HB ALA 667 -4.718 11.460 4.863 275 HB2 ALA 667 2HB ALA 667 -4.915 11.845 6.574 276 HB3 ALA 667 3HB ALA 667 -4.217 10.299 6.090 277 H LEU 668 H LEU 668 -1.712 10.636 7.674 278 HA LEU 668 HA LEU 668 -2.224 12.493 9.821 279 HB2 LEU 668 2HB LEU 668 -2.392 10.117 10.249 280 HB3 LEU 668 1HB LEU 668 -0.744 9.868 9.703 281 HG LEU 668 HG LEU 668 0.179 10.770 11.632 282 HD11 LEU 668 1HD1 LEU 668 -2.484 12.054 12.222 283 HD12 LEU 668 2HD1 LEU 668 -1.056 12.876 11.592 284 HD13 LEU 668 3HD1 LEU 668 -1.032 12.182 13.216 285 HD21 LEU 668 1HD2 LEU 668 -2.159 9.879 13.137 286 HD22 LEU 668 2HD2 LEU 668 -0.512 9.246 13.115 287 HD23 LEU 668 3HD2 LEU 668 -1.662 8.759 11.868 288 H PHE 669 H PHE 669 0.744 10.918 8.603 289 HA PHE 669 HA PHE 669 2.587 12.561 9.867 290 HB2 PHE 669 2HB PHE 669 2.690 10.469 8.034 291 HB3 PHE 669 1HB PHE 669 3.448 11.812 7.184 292 HD1 PHE 669 1HD PHE 669 5.353 13.030 8.348 293 HD2 PHE 669 2HD PHE 669 3.860 9.261 9.643 294 HE1 PHE 669 1HE PHE 669 7.444 12.630 9.582 295 HE2 PHE 669 2HE PHE 669 5.947 8.855 10.879 296 HZ PHE 669 HZ PHE 669 7.743 10.540 10.850 297 H ALA 670 H ALA 670 0.658 13.109 7.051 298 HA ALA 670 HA ALA 670 2.069 15.289 5.969 299 HB1 ALA 670 1HB ALA 670 -0.897 14.849 5.739 300 HB2 ALA 670 2HB ALA 670 0.283 13.896 4.837 301 HB3 ALA 670 3HB ALA 670 0.182 15.641 4.590 302 H ILE 671 H ILE 671 0.002 15.005 8.730 303 HA ILE 671 HA ILE 671 -0.724 17.786 8.825 304 HB ILE 671 HB ILE 671 -0.862 15.856 11.106 305 HG12 ILE 671 2HG1 ILE 671 -2.863 16.235 8.869 306 HG13 ILE 671 1HG1 ILE 671 -1.923 14.782 9.193 307 HG21 ILE 671 1HG2 ILE 671 -2.842 17.269 11.695 308 HG22 ILE 671 2HG2 ILE 671 -2.364 18.358 10.392 309 HG23 ILE 671 3HG2 ILE 671 -1.284 18.094 11.763 310 HD11 ILE 671 1HD1 ILE 671 -4.087 15.955 10.918 311 HD12 ILE 671 2HD1 ILE 671 -3.080 14.579 11.369 312 HD13 ILE 671 3HD1 ILE 671 -4.159 14.464 9.979 313 H ALA 672 H ALA 672 1.679 15.737 10.311 314 HA ALA 672 HA ALA 672 2.570 17.583 12.254 315 HB1 ALA 672 1HB ALA 672 4.525 15.695 11.142 316 HB2 ALA 672 2HB ALA 672 3.022 14.988 11.734 317 HB3 ALA 672 3HB ALA 672 4.023 15.962 12.813 318 H LYS 673 H LYS 673 3.224 17.130 8.897 319 HA LYS 673 HA LYS 673 5.475 18.959 8.897 320 HB2 LYS 673 2HB LYS 673 5.116 18.492 6.299 321 HB3 LYS 673 1HB LYS 673 6.000 17.395 7.348 322 HG2 LYS 673 2HG LYS 673 4.353 15.817 7.327 323 HG3 LYS 673 1HG LYS 673 3.072 17.000 7.045 324 HD2 LYS 673 2HD LYS 673 5.070 16.783 4.916 325 HD3 LYS 673 1HD LYS 673 4.066 15.352 5.155 326 HE2 LYS 673 2HE LYS 673 2.245 16.354 4.314 327 HE3 LYS 673 1HE LYS 673 2.562 17.853 5.187 328 HZ1 LYS 673 1HZ LYS 673 3.728 16.997 2.598 329 HZ2 LYS 673 2HZ LYS 673 4.289 18.330 3.475 330 HZ3 LYS 673 3HZ LYS 673 2.705 18.315 2.882 331 H PHE 674 H PHE 674 2.078 19.045 8.483 332 HA PHE 674 HA PHE 674 2.214 21.554 6.972 333 HB2 PHE 674 2HB PHE 674 0.484 19.408 6.811 334 HB3 PHE 674 1HB PHE 674 -0.453 20.610 7.686 335 HD1 PHE 674 1HD PHE 674 -0.959 22.774 6.657 336 HD2 PHE 674 2HD PHE 674 1.030 19.681 4.511 337 HE1 PHE 674 1HE PHE 674 -1.479 23.915 4.537 338 HE2 PHE 674 2HE PHE 674 0.514 20.817 2.388 339 HZ PHE 674 HZ PHE 674 -0.742 22.936 2.400 340 H VAL 675 H VAL 675 1.302 20.269 10.106 341 HA VAL 675 HA VAL 675 0.247 22.852 10.944 342 HB VAL 675 HB VAL 675 0.547 20.316 12.560 343 HG11 VAL 675 1HG1 VAL 675 0.322 22.007 14.128 344 HG12 VAL 675 2HG1 VAL 675 -1.350 21.513 13.861 345 HG13 VAL 675 3HG1 VAL 675 -0.727 22.971 13.089 346 HG21 VAL 675 1HG2 VAL 675 -1.875 21.401 11.125 347 HG22 VAL 675 2HG2 VAL 675 -1.826 19.961 12.141 348 HG23 VAL 675 3HG2 VAL 675 -0.926 20.002 10.625 349 H PHE 676 H PHE 676 3.259 21.691 10.574 350 HA PHE 676 HA PHE 676 4.289 23.369 12.745 351 HB2 PHE 676 2HB PHE 676 5.474 20.676 12.053 352 HB3 PHE 676 1HB PHE 676 5.978 21.756 13.348 353 HD1 PHE 676 1HD PHE 676 2.962 19.911 12.165 354 HD2 PHE 676 2HD PHE 676 5.209 21.358 15.477 355 HE1 PHE 676 1HE PHE 676 1.417 18.773 13.706 356 HE2 PHE 676 2HE PHE 676 3.668 20.224 17.023 357 HZ PHE 676 HZ PHE 676 1.769 18.929 16.138 Start of MODEL 11 1 H1 GLY 630 1HT GLY 630 5.306 -24.900 1.641 2 H2 GLY 630 2HT GLY 630 6.256 -25.171 0.268 3 H3 GLY 630 3HT GLY 630 4.576 -25.040 0.121 4 HA2 GLY 630 HA2 GLY 630 5.285 -22.975 -0.590 5 HA3 GLY 630 HA3 GLY 630 4.855 -22.709 1.093 6 H SER 631 H SER 631 6.988 -21.733 -1.030 7 HA SER 631 HA SER 631 9.492 -22.215 0.223 8 HB2 SER 631 2HB SER 631 9.717 -21.618 -2.013 9 HB3 SER 631 1HB SER 631 8.519 -20.331 -1.897 10 HG SER 631 HG SER 631 11.141 -20.120 -1.706 11 H ASP 632 H ASP 632 7.151 -19.553 0.385 12 HA ASP 632 HA ASP 632 8.407 -18.720 2.874 13 HB2 ASP 632 2HB ASP 632 9.379 -17.274 1.167 14 HB3 ASP 632 1HB ASP 632 7.766 -16.798 0.656 15 H LYS 633 H LYS 633 6.147 -16.593 1.437 16 HA LYS 633 HA LYS 633 4.359 -16.545 3.513 17 HB2 LYS 633 2HB LYS 633 2.740 -15.572 1.895 18 HB3 LYS 633 1HB LYS 633 4.338 -14.840 1.810 19 HG2 LYS 633 2HG LYS 633 4.696 -16.638 -0.078 20 HG3 LYS 633 1HG LYS 633 2.934 -16.570 -0.155 21 HD2 LYS 633 2HD LYS 633 4.566 -14.057 -0.179 22 HD3 LYS 633 1HD LYS 633 4.318 -14.985 -1.660 23 HE2 LYS 633 2HE LYS 633 2.522 -13.598 -1.810 24 HE3 LYS 633 1HE LYS 633 1.795 -14.883 -0.847 25 HZ1 LYS 633 1HZ LYS 633 1.830 -13.616 1.039 26 HZ2 LYS 633 2HZ LYS 633 1.590 -12.407 -0.119 27 HZ3 LYS 633 3HZ LYS 633 3.131 -12.661 0.529 28 H THR 634 H THR 634 4.217 -18.552 0.596 29 HA THR 634 HA THR 634 2.846 -20.619 1.931 30 HB THR 634 HB THR 634 0.920 -20.190 -0.029 31 HG1 THR 634 1HG THR 634 1.162 -17.803 1.451 32 HG21 THR 634 1HG2 THR 634 0.733 -20.978 2.429 33 HG22 THR 634 2HG2 THR 634 -0.620 -20.137 1.673 34 HG23 THR 634 3HG2 THR 634 0.457 -19.269 2.767 35 H LEU 635 H LEU 635 4.003 -19.223 -0.907 36 HA LEU 635 HA LEU 635 5.268 -21.460 -1.871 37 HB2 LEU 635 2HB LEU 635 3.249 -22.549 -2.363 38 HB3 LEU 635 1HB LEU 635 2.515 -21.094 -2.997 39 HG LEU 635 HG LEU 635 3.147 -22.890 -4.681 40 HD11 LEU 635 1HD1 LEU 635 2.898 -20.249 -4.976 41 HD12 LEU 635 2HD1 LEU 635 3.312 -21.326 -6.309 42 HD13 LEU 635 3HD1 LEU 635 4.579 -20.426 -5.475 43 HD21 LEU 635 1HD2 LEU 635 5.608 -22.572 -5.427 44 HD22 LEU 635 2HD2 LEU 635 5.248 -23.650 -4.079 45 HD23 LEU 635 3HD2 LEU 635 5.866 -22.028 -3.769 46 HA PRO 636 HA PRO 636 5.043 -18.100 -5.422 47 HB2 PRO 636 2HB PRO 636 3.884 -15.883 -3.835 48 HB3 PRO 636 1HB PRO 636 3.590 -16.337 -5.516 49 HG2 PRO 636 2HG PRO 636 1.781 -16.787 -3.579 50 HG3 PRO 636 1HG PRO 636 1.978 -17.876 -4.962 51 HD2 PRO 636 2HD PRO 636 2.846 -18.218 -2.138 52 HD3 PRO 636 1HD PRO 636 2.325 -19.433 -3.317 53 H ASP 637 H ASP 637 5.459 -17.646 -2.022 54 HA ASP 637 HA ASP 637 6.924 -16.343 -0.794 55 HB2 ASP 637 2HB ASP 637 9.025 -17.438 -0.768 56 HB3 ASP 637 1HB ASP 637 7.832 -18.648 -1.222 57 H GLN 638 H GLN 638 6.129 -14.756 -2.865 58 HA GLN 638 HA GLN 638 6.705 -12.988 -4.209 59 HB2 GLN 638 2HB GLN 638 8.263 -11.412 -3.067 60 HB3 GLN 638 1HB GLN 638 6.966 -12.006 -2.039 61 HG2 GLN 638 2HG GLN 638 8.452 -13.518 -0.930 62 HG3 GLN 638 1HG GLN 638 9.755 -13.129 -2.050 63 HE21 GLN 638 1HE2 GLN 638 9.421 -12.871 0.922 64 HE22 GLN 638 2HE2 GLN 638 9.851 -11.233 1.265 65 H GLY 639 H GLY 639 7.596 -14.699 -5.749 66 HA2 GLY 639 2HA GLY 639 10.343 -13.908 -6.413 67 HA3 GLY 639 1HA GLY 639 9.980 -15.621 -6.274 68 H ASP 640 H ASP 640 7.768 -16.103 -7.548 69 HA ASP 640 HA ASP 640 8.430 -15.617 -10.295 70 HB2 ASP 640 2HB ASP 640 6.341 -17.207 -8.858 71 HB3 ASP 640 1HB ASP 640 6.134 -16.873 -10.574 72 H ASN 641 H ASN 641 5.667 -14.769 -8.217 73 HA ASN 641 HA ASN 641 5.299 -12.292 -9.628 74 HB2 ASN 641 2HB ASN 641 4.086 -14.234 -10.921 75 HB3 ASN 641 1HB ASN 641 2.884 -14.062 -9.646 76 HD21 ASN 641 1HD2 ASN 641 4.723 -12.151 -11.991 77 HD22 ASN 641 2HD2 ASN 641 3.455 -11.029 -12.331 78 H ASP 642 H ASP 642 5.591 -11.366 -7.596 79 HA ASP 642 HA ASP 642 3.803 -12.088 -5.427 80 HB2 ASP 642 2HB ASP 642 6.359 -11.230 -5.409 81 HB3 ASP 642 1HB ASP 642 5.532 -9.690 -5.193 82 H ASN 643 H ASN 643 4.067 -9.680 -7.903 83 HA ASN 643 HA ASN 643 2.598 -7.582 -6.844 84 HB2 ASN 643 2HB ASN 643 2.821 -8.608 -9.672 85 HB3 ASN 643 1HB ASN 643 1.967 -7.123 -9.261 86 HD21 ASN 643 1HD2 ASN 643 4.463 -7.735 -10.814 87 HD22 ASN 643 2HD2 ASN 643 5.657 -6.682 -10.142 88 H TRP 644 H TRP 644 1.520 -10.722 -7.789 89 HA TRP 644 HA TRP 644 -1.093 -10.359 -8.529 90 HB2 TRP 644 2HB TRP 644 -1.508 -12.591 -7.863 91 HB3 TRP 644 1HB TRP 644 0.197 -12.545 -8.295 92 HD1 TRP 644 HD TRP 644 1.868 -12.127 -5.994 93 HE1 TRP 644 1HE TRP 644 1.689 -13.340 -3.733 94 HE3 TRP 644 3HE TRP 644 -2.969 -13.741 -6.326 95 HZ2 TRP 644 2HZ TRP 644 -0.248 -14.795 -2.283 96 HZ3 TRP 644 3HZ TRP 644 -3.909 -15.039 -4.459 97 HH2 TRP 644 HH TRP 644 -2.575 -15.555 -2.481 98 H TRP 645 H TRP 645 0.310 -9.902 -5.380 99 HA TRP 645 HA TRP 645 -2.210 -8.792 -4.438 100 HB2 TRP 645 2HB TRP 645 -1.334 -11.360 -3.650 101 HB3 TRP 645 1HB TRP 645 -1.054 -10.296 -2.276 102 HD1 TRP 645 HD TRP 645 -3.966 -11.234 -4.666 103 HE1 TRP 645 1HE TRP 645 -6.160 -11.100 -3.327 104 HE3 TRP 645 3HE TRP 645 -2.104 -9.520 -0.223 105 HZ2 TRP 645 2HZ TRP 645 -6.991 -10.365 -0.732 106 HZ3 TRP 645 3HZ TRP 645 -3.665 -9.127 1.637 107 HH2 TRP 645 HH TRP 645 -6.059 -9.541 1.387 108 H THR 646 H THR 646 0.668 -7.978 -5.132 109 HA THR 646 HA THR 646 0.930 -6.094 -2.964 110 HB THR 646 HB THR 646 2.179 -8.182 -2.237 111 HG1 THR 646 1HG THR 646 3.465 -5.684 -2.511 112 HG21 THR 646 1HG2 THR 646 3.366 -7.969 -4.776 113 HG22 THR 646 2HG2 THR 646 3.737 -9.112 -3.487 114 HG23 THR 646 3HG2 THR 646 4.611 -7.584 -3.588 115 H GLY 647 H GLY 647 0.486 -6.173 -5.907 116 HA2 GLY 647 2HA GLY 647 2.540 -4.189 -6.593 117 HA3 GLY 647 1HA GLY 647 2.268 -5.532 -7.695 118 H TRP 648 H TRP 648 0.326 -5.649 -8.862 119 HA TRP 648 HA TRP 648 -0.795 -3.121 -9.550 120 HB2 TRP 648 2HB TRP 648 -2.187 -4.374 -11.111 121 HB3 TRP 648 1HB TRP 648 -0.527 -4.955 -11.188 122 HD1 TRP 648 HD TRP 648 -0.153 -7.487 -10.829 123 HE1 TRP 648 1HE TRP 648 -1.666 -9.471 -10.197 124 HE3 TRP 648 3HE TRP 648 -4.388 -4.913 -9.572 125 HZ2 TRP 648 2HZ TRP 648 -4.304 -9.890 -9.284 126 HZ3 TRP 648 3HZ TRP 648 -6.362 -6.180 -8.830 127 HH2 TRP 648 HH TRP 648 -6.319 -8.617 -8.689 128 H ARG 649 H ARG 649 -1.563 -5.540 -7.244 129 HA ARG 649 HA ARG 649 -4.327 -4.740 -6.926 130 HB2 ARG 649 2HB ARG 649 -3.636 -7.100 -6.643 131 HB3 ARG 649 1HB ARG 649 -2.622 -6.629 -5.288 132 HG2 ARG 649 2HG ARG 649 -5.046 -5.623 -4.545 133 HG3 ARG 649 1HG ARG 649 -5.504 -7.087 -5.415 134 HD2 ARG 649 2HD ARG 649 -4.625 -8.449 -3.847 135 HD3 ARG 649 1HD ARG 649 -3.247 -7.390 -3.553 136 HE ARG 649 HE ARG 649 -4.369 -6.587 -1.748 137 HH11 ARG 649 1HH1 ARG 649 -6.725 -7.797 -4.020 138 HH12 ARG 649 2HH1 ARG 649 -8.077 -7.451 -2.994 139 HH21 ARG 649 1HH2 ARG 649 -6.146 -6.131 -0.397 140 HH22 ARG 649 2HH2 ARG 649 -7.748 -6.505 -0.938 141 H GLN 650 H GLN 650 -1.299 -3.685 -5.882 142 HA GLN 650 HA GLN 650 -1.867 -2.889 -3.250 143 HB2 GLN 650 2HB GLN 650 0.330 -2.775 -4.998 144 HB3 GLN 650 1HB GLN 650 0.008 -1.112 -4.528 145 HG2 GLN 650 2HG GLN 650 0.154 -3.259 -2.461 146 HG3 GLN 650 1HG GLN 650 1.627 -2.552 -3.124 147 HE21 GLN 650 1HE2 GLN 650 2.001 -0.312 -2.822 148 HE22 GLN 650 2HE2 GLN 650 1.260 0.542 -1.516 149 H TRP 651 H TRP 651 -3.056 -1.738 -6.184 150 HA TRP 651 HA TRP 651 -4.471 0.394 -4.917 151 HB2 TRP 651 2HB TRP 651 -3.569 2.156 -6.504 152 HB3 TRP 651 1HB TRP 651 -2.482 1.658 -5.213 153 HD1 TRP 651 HD TRP 651 -0.897 -0.666 -6.235 154 HE1 TRP 651 1HE TRP 651 0.558 -0.571 -8.352 155 HE3 TRP 651 3HE TRP 651 -3.126 3.298 -8.571 156 HZ2 TRP 651 2HZ TRP 651 0.739 0.982 -10.705 157 HZ3 TRP 651 3HZ TRP 651 -2.250 4.026 -10.752 158 HH2 TRP 651 HH TRP 651 -0.357 2.891 -11.795 159 H ILE 652 H ILE 652 -5.458 -1.811 -6.122 160 HA ILE 652 HA ILE 652 -6.207 -1.035 -8.838 161 HB ILE 652 HB ILE 652 -5.423 -3.352 -8.426 162 HG12 ILE 652 2HG1 ILE 652 -7.702 -4.340 -9.482 163 HG13 ILE 652 1HG1 ILE 652 -7.994 -2.617 -9.697 164 HG21 ILE 652 1HG2 ILE 652 -7.176 -4.923 -7.467 165 HG22 ILE 652 2HG2 ILE 652 -7.928 -3.485 -6.778 166 HG23 ILE 652 3HG2 ILE 652 -6.282 -3.925 -6.321 167 HD11 ILE 652 1HD1 ILE 652 -6.694 -2.604 -11.479 168 HD12 ILE 652 2HD1 ILE 652 -6.445 -4.340 -11.293 169 HD13 ILE 652 3HD1 ILE 652 -5.336 -3.203 -10.526 170 HA PRO 653 HA PRO 653 -10.462 -1.142 -6.685 171 HB2 PRO 653 2HB PRO 653 -10.650 -1.042 -4.041 172 HB3 PRO 653 1HB PRO 653 -10.247 -2.562 -4.852 173 HG2 PRO 653 2HG PRO 653 -8.466 -0.639 -3.426 174 HG3 PRO 653 1HG PRO 653 -8.435 -2.411 -3.415 175 HD2 PRO 653 2HD PRO 653 -6.809 -0.772 -4.973 176 HD3 PRO 653 1HD PRO 653 -7.119 -2.491 -5.266 177 H ALA 654 H ALA 654 -7.931 0.981 -5.886 178 HA ALA 654 HA ALA 654 -7.862 3.265 -5.823 179 HB1 ALA 654 1HB ALA 654 -10.179 2.886 -7.154 180 HB2 ALA 654 2HB ALA 654 -9.547 4.472 -6.712 181 HB3 ALA 654 3HB ALA 654 -10.774 3.701 -5.708 182 H GLY 655 H GLY 655 -7.026 3.221 -3.762 183 HA2 GLY 655 2HA GLY 655 -7.238 4.383 -1.669 184 HA3 GLY 655 1HA GLY 655 -8.936 3.935 -1.639 185 H ILE 656 H ILE 656 -6.117 1.899 -2.287 186 HA ILE 656 HA ILE 656 -6.850 0.263 0.058 187 HB ILE 656 HB ILE 656 -7.142 -0.848 -2.135 188 HG12 ILE 656 2HG1 ILE 656 -5.797 -2.887 -1.597 189 HG13 ILE 656 1HG1 ILE 656 -4.965 -1.954 -0.356 190 HG21 ILE 656 1HG2 ILE 656 -5.101 0.443 -3.056 191 HG22 ILE 656 2HG2 ILE 656 -5.431 -1.188 -3.643 192 HG23 ILE 656 3HG2 ILE 656 -4.180 -0.921 -2.428 193 HD11 ILE 656 1HD1 ILE 656 -7.157 -3.485 0.064 194 HD12 ILE 656 2HD1 ILE 656 -7.885 -1.895 -0.165 195 HD13 ILE 656 3HD1 ILE 656 -6.665 -2.134 1.085 196 H GLY 657 H GLY 657 -4.158 1.562 -1.842 197 HA2 GLY 657 2HA GLY 657 -2.464 1.400 0.550 198 HA3 GLY 657 1HA GLY 657 -1.874 0.701 -0.952 199 H VAL 658 H VAL 658 -2.319 2.349 -2.881 200 HA VAL 658 HA VAL 658 -0.563 4.516 -2.472 201 HB VAL 658 HB VAL 658 -1.204 3.310 -4.672 202 HG11 VAL 658 1HG1 VAL 658 -2.931 4.320 -6.006 203 HG12 VAL 658 2HG1 VAL 658 -3.287 5.487 -4.732 204 HG13 VAL 658 3HG1 VAL 658 -3.629 3.775 -4.480 205 HG21 VAL 658 1HG2 VAL 658 0.371 4.872 -5.099 206 HG22 VAL 658 2HG2 VAL 658 -0.480 6.130 -4.204 207 HG23 VAL 658 3HG2 VAL 658 -0.981 5.724 -5.845 208 H THR 659 H THR 659 -4.035 4.184 -2.477 209 HA THR 659 HA THR 659 -4.301 6.965 -1.546 210 HB THR 659 HB THR 659 -6.237 5.278 -3.145 211 HG1 THR 659 1HG THR 659 -4.795 7.649 -3.691 212 HG21 THR 659 1HG2 THR 659 -7.796 7.072 -3.114 213 HG22 THR 659 2HG2 THR 659 -6.692 8.091 -2.191 214 HG23 THR 659 3HG2 THR 659 -7.410 6.664 -1.443 215 H GLY 660 H GLY 660 -4.740 3.640 -0.866 216 HA2 GLY 660 2HA GLY 660 -6.797 3.992 1.120 217 HA3 GLY 660 1HA GLY 660 -5.917 2.511 0.763 218 H VAL 661 H VAL 661 -3.391 2.952 1.272 219 HA VAL 661 HA VAL 661 -3.320 3.330 4.134 220 HB VAL 661 HB VAL 661 -1.038 2.666 2.269 221 HG11 VAL 661 1HG1 VAL 661 -1.349 2.458 5.259 222 HG12 VAL 661 2HG1 VAL 661 -0.218 3.475 4.367 223 HG13 VAL 661 3HG1 VAL 661 -0.031 1.722 4.347 224 HG21 VAL 661 1HG2 VAL 661 -2.227 0.558 3.947 225 HG22 VAL 661 2HG2 VAL 661 -1.606 0.484 2.298 226 HG23 VAL 661 3HG2 VAL 661 -3.224 1.117 2.603 227 H VAL 662 H VAL 662 -1.373 4.588 1.446 228 HA VAL 662 HA VAL 662 0.087 6.512 2.657 229 HB VAL 662 HB VAL 662 -1.219 6.497 -0.042 230 HG11 VAL 662 1HG1 VAL 662 0.704 8.564 1.033 231 HG12 VAL 662 2HG1 VAL 662 -0.950 8.839 0.487 232 HG13 VAL 662 3HG1 VAL 662 0.294 8.367 -0.671 233 HG21 VAL 662 1HG2 VAL 662 1.717 6.400 0.475 234 HG22 VAL 662 2HG2 VAL 662 0.780 5.692 -0.841 235 HG23 VAL 662 3HG2 VAL 662 0.737 4.962 0.764 236 H ILE 663 H ILE 663 -3.315 6.665 1.937 237 HA ILE 663 HA ILE 663 -3.593 9.460 2.421 238 HB ILE 663 HB ILE 663 -5.119 7.778 1.141 239 HG12 ILE 663 2HG1 ILE 663 -6.491 9.886 2.802 240 HG13 ILE 663 1HG1 ILE 663 -5.368 10.299 1.511 241 HG21 ILE 663 1HG2 ILE 663 -6.692 7.815 3.683 242 HG22 ILE 663 2HG2 ILE 663 -5.525 6.531 3.371 243 HG23 ILE 663 3HG2 ILE 663 -6.878 6.780 2.267 244 HD11 ILE 663 1HD1 ILE 663 -6.779 9.484 -0.140 245 HD12 ILE 663 2HD1 ILE 663 -7.877 10.266 0.998 246 HD13 ILE 663 3HD1 ILE 663 -7.709 8.510 0.999 247 H ALA 664 H ALA 664 -3.806 6.567 4.374 248 HA ALA 664 HA ALA 664 -4.828 7.952 6.691 249 HB1 ALA 664 1HB ALA 664 -4.248 5.173 5.942 250 HB2 ALA 664 2HB ALA 664 -5.541 5.833 6.944 251 HB3 ALA 664 3HB ALA 664 -3.942 5.559 7.636 252 H VAL 665 H VAL 665 -1.749 7.155 5.328 253 HA VAL 665 HA VAL 665 -0.267 7.558 7.772 254 HB VAL 665 HB VAL 665 1.065 7.589 5.106 255 HG11 VAL 665 1HG1 VAL 665 2.668 6.155 6.350 256 HG12 VAL 665 2HG1 VAL 665 1.649 6.347 7.776 257 HG13 VAL 665 3HG1 VAL 665 2.428 7.754 7.054 258 HG21 VAL 665 1HG2 VAL 665 -0.624 5.377 6.088 259 HG22 VAL 665 2HG2 VAL 665 0.987 4.926 5.529 260 HG23 VAL 665 3HG2 VAL 665 -0.117 5.775 4.446 261 H ILE 666 H ILE 666 -0.795 9.192 4.697 262 HA ILE 666 HA ILE 666 0.813 11.451 5.199 263 HB ILE 666 HB ILE 666 -1.528 10.971 3.369 264 HG12 ILE 666 2HG1 ILE 666 0.648 9.760 2.973 265 HG13 ILE 666 1HG1 ILE 666 0.116 10.770 1.632 266 HG21 ILE 666 1HG2 ILE 666 0.111 13.446 3.763 267 HG22 ILE 666 2HG2 ILE 666 -1.637 13.278 3.610 268 HG23 ILE 666 3HG2 ILE 666 -0.606 13.079 2.194 269 HD11 ILE 666 1HD1 ILE 666 2.611 10.761 2.789 270 HD12 ILE 666 2HD1 ILE 666 1.845 12.198 3.467 271 HD13 ILE 666 3HD1 ILE 666 1.960 12.001 1.718 272 H ALA 667 H ALA 667 -2.527 10.645 5.889 273 HA ALA 667 HA ALA 667 -3.735 13.000 6.433 274 HB1 ALA 667 1HB ALA 667 -4.312 10.409 6.937 275 HB2 ALA 667 2HB ALA 667 -5.285 11.770 7.497 276 HB3 ALA 667 3HB ALA 667 -4.104 11.027 8.576 277 H LEU 668 H LEU 668 -1.237 11.458 8.358 278 HA LEU 668 HA LEU 668 -1.429 13.402 10.481 279 HB2 LEU 668 2HB LEU 668 -0.846 11.060 10.941 280 HB3 LEU 668 1HB LEU 668 0.594 11.228 9.954 281 HG LEU 668 HG LEU 668 1.722 12.441 11.547 282 HD11 LEU 668 1HD1 LEU 668 0.664 13.757 13.315 283 HD12 LEU 668 2HD1 LEU 668 -0.925 13.233 12.755 284 HD13 LEU 668 3HD1 LEU 668 0.083 14.243 11.719 285 HD21 LEU 668 1HD2 LEU 668 1.786 10.981 13.235 286 HD22 LEU 668 2HD2 LEU 668 0.474 10.150 12.399 287 HD23 LEU 668 3HD2 LEU 668 0.111 11.298 13.688 288 H PHE 669 H PHE 669 1.227 12.367 8.337 289 HA PHE 669 HA PHE 669 2.950 14.481 8.805 290 HB2 PHE 669 2HB PHE 669 3.317 12.317 7.447 291 HB3 PHE 669 1HB PHE 669 2.670 13.223 6.083 292 HD1 PHE 669 1HD PHE 669 4.149 14.331 4.723 293 HD2 PHE 669 2HD PHE 669 5.239 13.570 8.765 294 HE1 PHE 669 1HE PHE 669 6.378 15.282 4.297 295 HE2 PHE 669 2HE PHE 669 7.469 14.521 8.347 296 HZ PHE 669 HZ PHE 669 8.041 15.379 6.110 297 H ALA 670 H ALA 670 0.049 14.388 6.944 298 HA ALA 670 HA ALA 670 0.536 16.684 5.343 299 HB1 ALA 670 1HB ALA 670 -1.146 14.852 4.886 300 HB2 ALA 670 2HB ALA 670 -1.726 16.504 4.670 301 HB3 ALA 670 3HB ALA 670 -2.162 15.601 6.120 302 H ILE 671 H ILE 671 -0.544 16.198 8.621 303 HA ILE 671 HA ILE 671 -1.674 18.842 8.862 304 HB ILE 671 HB ILE 671 -0.983 16.958 11.096 305 HG12 ILE 671 2HG1 ILE 671 -3.752 17.160 9.990 306 HG13 ILE 671 1HG1 ILE 671 -2.584 16.149 9.146 307 HG21 ILE 671 1HG2 ILE 671 -2.933 19.241 10.890 308 HG22 ILE 671 2HG2 ILE 671 -1.430 19.215 11.811 309 HG23 ILE 671 3HG2 ILE 671 -2.770 18.170 12.282 310 HD11 ILE 671 1HD1 ILE 671 -3.739 14.722 10.603 311 HD12 ILE 671 2HD1 ILE 671 -3.616 15.858 11.945 312 HD13 ILE 671 3HD1 ILE 671 -2.179 15.012 11.371 313 H ALA 672 H ALA 672 1.286 17.202 9.667 314 HA ALA 672 HA ALA 672 2.442 19.164 11.307 315 HB1 ALA 672 1HB ALA 672 3.175 16.778 10.904 316 HB2 ALA 672 2HB ALA 672 4.456 17.988 11.000 317 HB3 ALA 672 3HB ALA 672 3.937 17.371 9.430 318 H LYS 673 H LYS 673 2.285 18.745 7.848 319 HA LYS 673 HA LYS 673 3.992 21.044 7.367 320 HB2 LYS 673 2HB LYS 673 3.332 20.464 4.906 321 HB3 LYS 673 1HB LYS 673 4.472 19.444 5.769 322 HG2 LYS 673 2HG LYS 673 3.172 17.672 5.508 323 HG3 LYS 673 1HG LYS 673 1.799 18.513 6.224 324 HD2 LYS 673 2HD LYS 673 0.861 18.349 4.199 325 HD3 LYS 673 1HD LYS 673 1.953 19.656 3.738 326 HE2 LYS 673 2HE LYS 673 3.467 18.199 2.731 327 HE3 LYS 673 1HE LYS 673 2.835 16.797 3.593 328 HZ1 LYS 673 1HZ LYS 673 0.703 17.293 2.265 329 HZ2 LYS 673 2HZ LYS 673 1.991 16.531 1.478 330 HZ3 LYS 673 3HZ LYS 673 1.719 18.184 1.246 331 H PHE 674 H PHE 674 0.677 20.325 7.734 332 HA PHE 674 HA PHE 674 -0.215 22.638 6.204 333 HB2 PHE 674 2HB PHE 674 -1.502 20.528 6.142 334 HB3 PHE 674 1HB PHE 674 -1.798 20.680 7.871 335 HD1 PHE 674 1HD PHE 674 -3.001 22.828 8.649 336 HD2 PHE 674 2HD PHE 674 -2.987 21.437 4.627 337 HE1 PHE 674 1HE PHE 674 -5.015 24.164 8.185 338 HE2 PHE 674 2HE PHE 674 -5.000 22.773 4.155 339 HZ PHE 674 HZ PHE 674 -6.016 24.138 5.935 340 H VAL 675 H VAL 675 0.191 21.609 9.537 341 HA VAL 675 HA VAL 675 -0.991 24.107 10.500 342 HB VAL 675 HB VAL 675 0.057 21.766 12.094 343 HG11 VAL 675 1HG1 VAL 675 0.027 23.354 13.703 344 HG12 VAL 675 2HG1 VAL 675 -1.701 22.999 13.711 345 HG13 VAL 675 3HG1 VAL 675 -1.090 24.388 12.813 346 HG21 VAL 675 1HG2 VAL 675 -1.799 20.995 10.826 347 HG22 VAL 675 2HG2 VAL 675 -2.720 22.461 11.165 348 HG23 VAL 675 3HG2 VAL 675 -2.388 21.309 12.459 349 H PHE 676 H PHE 676 2.026 22.915 9.622 350 HA PHE 676 HA PHE 676 3.332 25.100 11.092 351 HB2 PHE 676 2HB PHE 676 4.699 22.447 10.672 352 HB3 PHE 676 1HB PHE 676 5.195 23.775 11.712 353 HD1 PHE 676 1HD PHE 676 2.359 21.390 11.270 354 HD2 PHE 676 2HD PHE 676 4.782 23.624 13.963 355 HE1 PHE 676 1HE PHE 676 1.227 20.317 13.173 356 HE2 PHE 676 2HE PHE 676 3.651 22.558 15.871 357 HZ PHE 676 HZ PHE 676 1.872 20.901 15.477 Start of MODEL 12 1 H1 GLY 630 1HT GLY 630 7.860 -15.997 7.939 2 H2 GLY 630 2HT GLY 630 8.903 -16.930 6.989 3 H3 GLY 630 3HT GLY 630 7.248 -17.278 7.017 4 HA2 GLY 630 HA2 GLY 630 7.220 -16.115 5.109 5 HA3 GLY 630 HA3 GLY 630 7.123 -14.760 6.223 6 H SER 631 H SER 631 8.450 -15.436 3.472 7 HA SER 631 HA SER 631 11.226 -14.866 3.964 8 HB2 SER 631 2HB SER 631 9.542 -15.468 1.601 9 HB3 SER 631 1HB SER 631 10.968 -14.473 1.303 10 HG SER 631 HG SER 631 10.944 -16.998 2.603 11 H ASP 632 H ASP 632 8.409 -13.076 2.781 12 HA ASP 632 HA ASP 632 9.830 -10.608 3.370 13 HB2 ASP 632 2HB ASP 632 10.144 -10.959 0.975 14 HB3 ASP 632 1HB ASP 632 8.403 -11.078 0.768 15 H LYS 633 H LYS 633 6.857 -10.711 1.602 16 HA LYS 633 HA LYS 633 5.481 -9.045 3.375 17 HB2 LYS 633 2HB LYS 633 3.456 -9.683 2.083 18 HB3 LYS 633 1HB LYS 633 4.807 -9.203 1.064 19 HG2 LYS 633 2HG LYS 633 5.279 -11.790 1.038 20 HG3 LYS 633 1HG LYS 633 3.561 -11.875 1.432 21 HD2 LYS 633 2HD LYS 633 4.349 -10.064 -0.776 22 HD3 LYS 633 1HD LYS 633 4.471 -11.798 -1.080 23 HE2 LYS 633 2HE LYS 633 2.303 -11.644 -1.633 24 HE3 LYS 633 1HE LYS 633 2.028 -11.621 0.109 25 HZ1 LYS 633 1HZ LYS 633 0.875 -9.818 -1.059 26 HZ2 LYS 633 2HZ LYS 633 2.361 -9.204 -1.585 27 HZ3 LYS 633 3HZ LYS 633 1.993 -9.229 0.066 28 H THR 634 H THR 634 5.520 -12.554 3.043 29 HA THR 634 HA THR 634 4.888 -13.005 5.721 30 HB THR 634 HB THR 634 2.589 -14.219 4.657 31 HG1 THR 634 1HG THR 634 2.390 -11.470 4.149 32 HG21 THR 634 1HG2 THR 634 3.246 -12.374 6.766 33 HG22 THR 634 2HG2 THR 634 1.955 -13.572 6.672 34 HG23 THR 634 3HG2 THR 634 1.712 -11.958 6.002 35 H LEU 635 H LEU 635 5.214 -14.104 2.567 36 HA LEU 635 HA LEU 635 6.758 -16.293 3.132 37 HB2 LEU 635 2HB LEU 635 5.000 -17.465 4.144 38 HB3 LEU 635 1HB LEU 635 3.844 -16.956 2.934 39 HG LEU 635 HG LEU 635 4.577 -19.393 2.881 40 HD11 LEU 635 1HD1 LEU 635 5.204 -18.258 0.226 41 HD12 LEU 635 2HD1 LEU 635 3.658 -17.799 0.937 42 HD13 LEU 635 3HD1 LEU 635 4.042 -19.502 0.688 43 HD21 LEU 635 1HD2 LEU 635 6.856 -19.466 3.138 44 HD22 LEU 635 2HD2 LEU 635 7.131 -18.036 2.143 45 HD23 LEU 635 3HD2 LEU 635 6.721 -19.574 1.384 46 HA PRO 636 HA PRO 636 5.141 -16.615 -1.480 47 HB2 PRO 636 2HB PRO 636 3.813 -13.974 -1.649 48 HB3 PRO 636 1HB PRO 636 3.331 -15.522 -2.348 49 HG2 PRO 636 2HG PRO 636 2.054 -14.448 -0.239 50 HG3 PRO 636 1HG PRO 636 2.242 -16.198 -0.441 51 HD2 PRO 636 2HD PRO 636 3.664 -14.335 1.389 52 HD3 PRO 636 1HD PRO 636 3.225 -16.035 1.622 53 H ASP 637 H ASP 637 6.060 -13.817 0.319 54 HA ASP 637 HA ASP 637 7.352 -11.969 -0.268 55 HB2 ASP 637 2HB ASP 637 9.612 -12.612 0.050 56 HB3 ASP 637 1HB ASP 637 8.629 -13.758 0.955 57 H GLN 638 H GLN 638 6.021 -12.085 -2.441 58 HA GLN 638 HA GLN 638 5.960 -11.867 -4.721 59 HB2 GLN 638 2HB GLN 638 7.746 -10.313 -5.567 60 HB3 GLN 638 1HB GLN 638 6.863 -9.741 -4.158 61 HG2 GLN 638 2HG GLN 638 8.691 -10.307 -2.712 62 HG3 GLN 638 1HG GLN 638 9.564 -11.061 -4.045 63 HE21 GLN 638 1HE2 GLN 638 8.177 -7.981 -3.001 64 HE22 GLN 638 2HE2 GLN 638 9.366 -6.985 -3.761 65 H GLY 639 H GLY 639 6.230 -14.173 -5.080 66 HA2 GLY 639 2HA GLY 639 8.762 -14.721 -6.492 67 HA3 GLY 639 1HA GLY 639 8.070 -15.909 -5.397 68 H ASP 640 H ASP 640 5.399 -15.769 -6.027 69 HA ASP 640 HA ASP 640 5.392 -16.681 -8.829 70 HB2 ASP 640 2HB ASP 640 4.288 -17.829 -6.365 71 HB3 ASP 640 1HB ASP 640 3.139 -17.784 -7.698 72 H ASN 641 H ASN 641 5.005 -14.434 -9.426 73 HA ASN 641 HA ASN 641 3.654 -12.765 -10.168 74 HB2 ASN 641 2HB ASN 641 2.089 -15.128 -10.275 75 HB3 ASN 641 1HB ASN 641 1.044 -13.846 -9.671 76 HD21 ASN 641 1HD2 ASN 641 0.072 -12.654 -11.136 77 HD22 ASN 641 2HD2 ASN 641 0.572 -12.447 -12.776 78 H ASP 642 H ASP 642 4.224 -11.399 -8.439 79 HA ASP 642 HA ASP 642 2.666 -11.392 -6.014 80 HB2 ASP 642 2HB ASP 642 5.188 -10.559 -6.606 81 HB3 ASP 642 1HB ASP 642 4.320 -9.026 -6.624 82 H ASN 643 H ASN 643 2.437 -9.938 -9.113 83 HA ASN 643 HA ASN 643 1.173 -7.531 -8.611 84 HB2 ASN 643 2HB ASN 643 0.483 -9.428 -10.859 85 HB3 ASN 643 1HB ASN 643 0.275 -7.679 -10.846 86 HD21 ASN 643 1HD2 ASN 643 2.400 -6.493 -10.309 87 HD22 ASN 643 2HD2 ASN 643 3.785 -7.029 -11.192 88 H TRP 644 H TRP 644 -0.040 -10.748 -8.184 89 HA TRP 644 HA TRP 644 -2.764 -10.434 -8.431 90 HB2 TRP 644 2HB TRP 644 -3.017 -12.360 -7.101 91 HB3 TRP 644 1HB TRP 644 -1.428 -12.542 -7.834 92 HD1 TRP 644 HD TRP 644 0.558 -11.269 -6.021 93 HE1 TRP 644 1HE TRP 644 0.856 -11.897 -3.544 94 HE3 TRP 644 3HE TRP 644 -4.019 -13.374 -5.170 95 HZ2 TRP 644 2HZ TRP 644 -0.653 -13.130 -1.499 96 HZ3 TRP 644 3HZ TRP 644 -4.513 -14.256 -2.927 97 HH2 TRP 644 HH TRP 644 -2.864 -14.136 -1.131 98 H TRP 645 H TRP 645 -0.660 -9.188 -5.960 99 HA TRP 645 HA TRP 645 -2.909 -7.712 -4.831 100 HB2 TRP 645 2HB TRP 645 -2.134 -9.947 -3.541 101 HB3 TRP 645 1HB TRP 645 -1.011 -8.793 -2.829 102 HD1 TRP 645 HD TRP 645 -2.308 -6.498 -1.765 103 HE1 TRP 645 1HE TRP 645 -4.467 -6.442 -0.366 104 HE3 TRP 645 3HE TRP 645 -4.246 -11.044 -3.078 105 HZ2 TRP 645 2HZ TRP 645 -6.697 -8.105 0.117 106 HZ3 TRP 645 3HZ TRP 645 -6.396 -11.736 -2.103 107 HH2 TRP 645 HH TRP 645 -7.595 -10.295 -0.538 108 H THR 646 H THR 646 -0.323 -7.268 -6.428 109 HA THR 646 HA THR 646 0.379 -4.816 -5.087 110 HB THR 646 HB THR 646 1.837 -6.619 -4.051 111 HG1 THR 646 1HG THR 646 2.418 -4.406 -4.044 112 HG21 THR 646 1HG2 THR 646 3.874 -6.582 -6.027 113 HG22 THR 646 2HG2 THR 646 2.403 -7.243 -6.741 114 HG23 THR 646 3HG2 THR 646 3.075 -7.964 -5.279 115 H GLY 647 H GLY 647 -0.735 -5.803 -7.671 116 HA2 GLY 647 2HA GLY 647 1.039 -4.226 -9.398 117 HA3 GLY 647 1HA GLY 647 0.559 -5.832 -9.926 118 H TRP 648 H TRP 648 -1.537 -6.195 -10.635 119 HA TRP 648 HA TRP 648 -2.890 -3.882 -11.662 120 HB2 TRP 648 2HB TRP 648 -4.463 -5.517 -12.635 121 HB3 TRP 648 1HB TRP 648 -2.788 -5.934 -12.982 122 HD1 TRP 648 HD TRP 648 -1.806 -8.140 -11.841 123 HE1 TRP 648 1HE TRP 648 -2.950 -10.171 -10.750 124 HE3 TRP 648 3HE TRP 648 -6.493 -6.196 -11.222 125 HZ2 TRP 648 2HZ TRP 648 -5.502 -10.858 -9.758 126 HZ3 TRP 648 3HZ TRP 648 -8.228 -7.606 -10.194 127 HH2 TRP 648 HH TRP 648 -7.741 -9.888 -9.478 128 H ARG 649 H ARG 649 -3.322 -6.092 -8.994 129 HA ARG 649 HA ARG 649 -5.955 -5.067 -8.344 130 HB2 ARG 649 2HB ARG 649 -5.292 -7.476 -8.021 131 HB3 ARG 649 1HB ARG 649 -4.219 -6.944 -6.734 132 HG2 ARG 649 2HG ARG 649 -6.510 -5.808 -5.915 133 HG3 ARG 649 1HG ARG 649 -7.152 -7.210 -6.773 134 HD2 ARG 649 2HD ARG 649 -6.200 -8.706 -5.324 135 HD3 ARG 649 1HD ARG 649 -4.877 -7.620 -4.902 136 HE ARG 649 HE ARG 649 -6.154 -6.783 -3.199 137 HH11 ARG 649 1HH1 ARG 649 -8.220 -8.545 -5.391 138 HH12 ARG 649 2HH1 ARG 649 -9.608 -8.448 -4.360 139 HH21 ARG 649 1HH2 ARG 649 -7.979 -6.653 -1.841 140 HH22 ARG 649 2HH2 ARG 649 -9.472 -7.372 -2.346 141 H GLN 650 H GLN 650 -2.749 -4.197 -7.790 142 HA GLN 650 HA GLN 650 -2.863 -3.250 -5.156 143 HB2 GLN 650 2HB GLN 650 -0.792 -3.620 -6.535 144 HB3 GLN 650 1HB GLN 650 -1.168 -2.124 -7.377 145 HG2 GLN 650 2HG GLN 650 -1.009 -0.897 -5.274 146 HG3 GLN 650 1HG GLN 650 -0.632 -2.397 -4.429 147 HE21 GLN 650 1HE2 GLN 650 1.414 -2.194 -3.821 148 HE22 GLN 650 2HE2 GLN 650 2.735 -1.789 -4.858 149 H TRP 651 H TRP 651 -4.386 -2.095 -7.960 150 HA TRP 651 HA TRP 651 -5.474 0.138 -6.552 151 HB2 TRP 651 2HB TRP 651 -4.701 1.856 -8.186 152 HB3 TRP 651 1HB TRP 651 -3.408 1.197 -7.189 153 HD1 TRP 651 HD TRP 651 -1.770 -0.634 -8.423 154 HE1 TRP 651 1HE TRP 651 -1.025 -0.772 -10.882 155 HE3 TRP 651 3HE TRP 651 -5.388 2.298 -10.527 156 HZ2 TRP 651 2HZ TRP 651 -1.863 0.231 -13.386 157 HZ3 TRP 651 3HZ TRP 651 -5.346 2.659 -12.961 158 HH2 TRP 651 HH TRP 651 -3.619 1.646 -14.359 159 H ILE 652 H ILE 652 -6.696 -2.074 -7.658 160 HA ILE 652 HA ILE 652 -7.759 -1.279 -10.242 161 HB ILE 652 HB ILE 652 -7.197 -3.653 -9.807 162 HG12 ILE 652 2HG1 ILE 652 -10.109 -3.747 -10.286 163 HG13 ILE 652 1HG1 ILE 652 -9.215 -2.610 -11.290 164 HG21 ILE 652 1HG2 ILE 652 -8.979 -4.961 -8.539 165 HG22 ILE 652 2HG2 ILE 652 -9.440 -3.414 -7.828 166 HG23 ILE 652 3HG2 ILE 652 -7.812 -4.048 -7.583 167 HD11 ILE 652 1HD1 ILE 652 -9.035 -5.581 -11.171 168 HD12 ILE 652 2HD1 ILE 652 -7.645 -4.637 -11.710 169 HD13 ILE 652 3HD1 ILE 652 -9.181 -4.515 -12.568 170 HA PRO 653 HA PRO 653 -11.667 -0.731 -7.599 171 HB2 PRO 653 2HB PRO 653 -11.552 -0.691 -4.955 172 HB3 PRO 653 1HB PRO 653 -11.428 -2.225 -5.826 173 HG2 PRO 653 2HG PRO 653 -9.293 -0.596 -4.537 174 HG3 PRO 653 1HG PRO 653 -9.458 -2.357 -4.627 175 HD2 PRO 653 2HD PRO 653 -7.866 -0.735 -6.292 176 HD3 PRO 653 1HD PRO 653 -8.278 -2.436 -6.561 177 H ALA 654 H ALA 654 -8.815 1.031 -7.175 178 HA ALA 654 HA ALA 654 -8.432 3.280 -7.080 179 HB1 ALA 654 1HB ALA 654 -10.027 4.538 -7.976 180 HB2 ALA 654 2HB ALA 654 -11.050 4.333 -6.554 181 HB3 ALA 654 3HB ALA 654 -11.122 3.160 -7.869 182 H GLY 655 H GLY 655 -7.354 3.002 -5.134 183 HA2 GLY 655 2HA GLY 655 -7.101 4.120 -3.021 184 HA3 GLY 655 1HA GLY 655 -8.836 3.976 -2.785 185 H ILE 656 H ILE 656 -6.376 1.578 -3.689 186 HA ILE 656 HA ILE 656 -7.220 -0.032 -1.365 187 HB ILE 656 HB ILE 656 -7.768 -1.049 -3.522 188 HG12 ILE 656 2HG1 ILE 656 -6.541 -3.227 -3.178 189 HG13 ILE 656 1HG1 ILE 656 -5.587 -2.414 -1.940 190 HG21 ILE 656 1HG2 ILE 656 -5.585 0.067 -4.507 191 HG22 ILE 656 2HG2 ILE 656 -6.307 -1.370 -5.230 192 HG23 ILE 656 3HG2 ILE 656 -4.918 -1.525 -4.153 193 HD11 ILE 656 1HD1 ILE 656 -7.139 -3.032 -0.489 194 HD12 ILE 656 2HD1 ILE 656 -8.221 -3.563 -1.777 195 HD13 ILE 656 3HD1 ILE 656 -8.225 -1.876 -1.260 196 H GLY 657 H GLY 657 -4.444 0.979 -3.327 197 HA2 GLY 657 2HA GLY 657 -2.717 0.476 -1.005 198 HA3 GLY 657 1HA GLY 657 -2.266 -0.201 -2.564 199 H VAL 658 H VAL 658 -2.479 1.562 -4.386 200 HA VAL 658 HA VAL 658 -0.475 3.475 -3.907 201 HB VAL 658 HB VAL 658 -1.333 2.466 -6.146 202 HG11 VAL 658 1HG1 VAL 658 -2.886 3.828 -7.395 203 HG12 VAL 658 2HG1 VAL 658 -3.058 4.934 -6.032 204 HG13 VAL 658 3HG1 VAL 658 -3.647 3.277 -5.902 205 HG21 VAL 658 1HG2 VAL 658 0.042 3.919 -7.182 206 HG22 VAL 658 2HG2 VAL 658 0.337 4.507 -5.546 207 HG23 VAL 658 3HG2 VAL 658 -0.828 5.331 -6.583 208 H THR 659 H THR 659 -3.959 3.579 -3.819 209 HA THR 659 HA THR 659 -3.846 6.323 -2.761 210 HB THR 659 HB THR 659 -6.008 4.986 -4.400 211 HG1 THR 659 1HG THR 659 -4.285 7.182 -4.851 212 HG21 THR 659 1HG2 THR 659 -6.967 6.419 -2.600 213 HG22 THR 659 2HG2 THR 659 -7.328 6.955 -4.242 214 HG23 THR 659 3HG2 THR 659 -6.088 7.780 -3.297 215 H GLY 660 H GLY 660 -4.744 3.051 -2.240 216 HA2 GLY 660 2HA GLY 660 -6.672 3.593 -0.166 217 HA3 GLY 660 1HA GLY 660 -6.037 2.021 -0.631 218 H VAL 661 H VAL 661 -3.411 2.165 -0.225 219 HA VAL 661 HA VAL 661 -3.221 2.258 2.657 220 HB VAL 661 HB VAL 661 -1.124 1.506 0.613 221 HG11 VAL 661 1HG1 VAL 661 -0.337 0.231 2.806 222 HG12 VAL 661 2HG1 VAL 661 -1.143 1.595 3.580 223 HG13 VAL 661 3HG1 VAL 661 0.177 1.879 2.446 224 HG21 VAL 661 1HG2 VAL 661 -1.887 -0.618 0.625 225 HG22 VAL 661 2HG2 VAL 661 -3.410 0.156 1.065 226 HG23 VAL 661 3HG2 VAL 661 -2.382 -0.545 2.316 227 H VAL 662 H VAL 662 -1.242 3.562 0.019 228 HA VAL 662 HA VAL 662 0.453 5.213 1.310 229 HB VAL 662 HB VAL 662 -1.016 5.663 -1.272 230 HG11 VAL 662 1HG1 VAL 662 -0.333 7.854 -0.430 231 HG12 VAL 662 2HG1 VAL 662 0.656 7.387 -1.814 232 HG13 VAL 662 3HG1 VAL 662 1.308 7.259 -0.181 233 HG21 VAL 662 1HG2 VAL 662 0.805 3.804 -0.733 234 HG22 VAL 662 2HG2 VAL 662 1.897 5.136 -1.111 235 HG23 VAL 662 3HG2 VAL 662 0.710 4.603 -2.302 236 H ILE 663 H ILE 663 -2.955 5.751 0.814 237 HA ILE 663 HA ILE 663 -2.893 8.492 1.652 238 HB ILE 663 HB ILE 663 -4.584 7.173 0.123 239 HG12 ILE 663 2HG1 ILE 663 -6.038 9.140 1.765 240 HG13 ILE 663 1HG1 ILE 663 -4.467 9.685 1.187 241 HG21 ILE 663 1HG2 ILE 663 -6.563 6.431 1.133 242 HG22 ILE 663 2HG2 ILE 663 -6.147 7.160 2.685 243 HG23 ILE 663 3HG2 ILE 663 -5.270 5.741 2.114 244 HD11 ILE 663 1HD1 ILE 663 -6.041 10.380 -0.412 245 HD12 ILE 663 2HD1 ILE 663 -6.833 8.804 -0.431 246 HD13 ILE 663 3HD1 ILE 663 -5.219 8.988 -1.117 247 H ALA 664 H ALA 664 -3.620 5.397 3.160 248 HA ALA 664 HA ALA 664 -4.535 6.603 5.613 249 HB1 ALA 664 1HB ALA 664 -4.247 4.077 6.341 250 HB2 ALA 664 2HB ALA 664 -4.207 3.833 4.594 251 HB3 ALA 664 3HB ALA 664 -5.602 4.607 5.345 252 H VAL 665 H VAL 665 -1.515 5.427 4.332 253 HA VAL 665 HA VAL 665 -0.244 5.305 6.924 254 HB VAL 665 HB VAL 665 0.564 3.687 5.410 255 HG11 VAL 665 1HG1 VAL 665 1.732 4.906 3.237 256 HG12 VAL 665 2HG1 VAL 665 0.229 5.803 3.441 257 HG13 VAL 665 3HG1 VAL 665 0.189 4.052 3.240 258 HG21 VAL 665 1HG2 VAL 665 2.914 4.204 5.184 259 HG22 VAL 665 2HG2 VAL 665 2.304 4.826 6.717 260 HG23 VAL 665 3HG2 VAL 665 2.574 5.924 5.366 261 H ILE 666 H ILE 666 -0.460 7.446 4.179 262 HA ILE 666 HA ILE 666 1.570 9.259 5.111 263 HB ILE 666 HB ILE 666 -0.469 9.363 2.901 264 HG12 ILE 666 2HG1 ILE 666 2.557 9.218 2.917 265 HG13 ILE 666 1HG1 ILE 666 1.456 7.904 2.517 266 HG21 ILE 666 1HG2 ILE 666 -0.276 11.626 3.602 267 HG22 ILE 666 2HG2 ILE 666 0.717 11.451 2.155 268 HG23 ILE 666 3HG2 ILE 666 1.477 11.501 3.746 269 HD11 ILE 666 1HD1 ILE 666 0.656 9.238 0.589 270 HD12 ILE 666 2HD1 ILE 666 2.365 8.810 0.500 271 HD13 ILE 666 3HD1 ILE 666 1.887 10.443 0.965 272 H ALA 667 H ALA 667 -1.936 9.037 5.107 273 HA ALA 667 HA ALA 667 -2.815 11.484 5.806 274 HB1 ALA 667 1HB ALA 667 -3.692 8.774 6.255 275 HB2 ALA 667 2HB ALA 667 -4.637 10.220 5.906 276 HB3 ALA 667 3HB ALA 667 -4.193 9.838 7.570 277 H LEU 668 H LEU 668 -0.986 9.306 7.860 278 HA LEU 668 HA LEU 668 -1.294 10.966 10.199 279 HB2 LEU 668 2HB LEU 668 -1.147 8.516 10.369 280 HB3 LEU 668 1HB LEU 668 0.469 8.572 9.690 281 HG LEU 668 HG LEU 668 1.418 9.342 11.630 282 HD11 LEU 668 1HD1 LEU 668 -1.263 10.444 12.462 283 HD12 LEU 668 2HD1 LEU 668 0.074 11.376 11.786 284 HD13 LEU 668 3HD1 LEU 668 0.245 10.602 13.364 285 HD21 LEU 668 1HD2 LEU 668 -0.689 7.406 12.005 286 HD22 LEU 668 2HD2 LEU 668 -0.386 8.318 13.485 287 HD23 LEU 668 3HD2 LEU 668 0.933 7.453 12.696 288 H PHE 669 H PHE 669 1.554 9.793 8.387 289 HA PHE 669 HA PHE 669 3.412 11.544 9.477 290 HB2 PHE 669 2HB PHE 669 3.807 9.528 7.943 291 HB3 PHE 669 1HB PHE 669 3.510 10.633 6.605 292 HD1 PHE 669 1HD PHE 669 5.173 12.126 5.865 293 HD2 PHE 669 2HD PHE 669 5.720 9.956 9.484 294 HE1 PHE 669 1HE PHE 669 7.527 12.839 5.931 295 HE2 PHE 669 2HE PHE 669 8.075 10.665 9.558 296 HZ PHE 669 HZ PHE 669 8.981 12.109 7.780 297 H ALA 670 H ALA 670 0.945 12.107 7.142 298 HA ALA 670 HA ALA 670 2.037 14.481 6.012 299 HB1 ALA 670 1HB ALA 670 -0.883 13.792 6.055 300 HB2 ALA 670 2HB ALA 670 0.255 12.932 5.016 301 HB3 ALA 670 3HB ALA 670 0.029 14.673 4.829 302 H ILE 671 H ILE 671 0.333 13.753 8.938 303 HA ILE 671 HA ILE 671 -0.674 16.408 9.369 304 HB ILE 671 HB ILE 671 -0.230 14.423 11.561 305 HG12 ILE 671 2HG1 ILE 671 -2.477 14.408 9.530 306 HG13 ILE 671 1HG1 ILE 671 -1.299 13.132 9.810 307 HG21 ILE 671 1HG2 ILE 671 -2.356 15.461 12.385 308 HG22 ILE 671 2HG2 ILE 671 -2.229 16.611 11.054 309 HG23 ILE 671 3HG2 ILE 671 -0.974 16.553 12.291 310 HD11 ILE 671 1HD1 ILE 671 -3.406 14.035 11.756 311 HD12 ILE 671 2HD1 ILE 671 -2.230 12.749 12.026 312 HD13 ILE 671 3HD1 ILE 671 -3.456 12.574 10.771 313 H ALA 672 H ALA 672 1.838 14.458 10.877 314 HA ALA 672 HA ALA 672 2.930 16.243 12.614 315 HB1 ALA 672 1HB ALA 672 3.533 13.792 11.971 316 HB2 ALA 672 2HB ALA 672 4.750 14.844 12.697 317 HB3 ALA 672 3HB ALA 672 4.742 14.572 10.953 318 H LYS 673 H LYS 673 4.182 15.685 9.346 319 HA LYS 673 HA LYS 673 5.929 17.821 9.250 320 HB2 LYS 673 2HB LYS 673 5.543 17.657 6.712 321 HB3 LYS 673 1HB LYS 673 6.153 16.234 7.546 322 HG2 LYS 673 2HG LYS 673 4.506 15.092 6.602 323 HG3 LYS 673 1HG LYS 673 3.396 15.963 7.659 324 HD2 LYS 673 2HD LYS 673 2.513 16.334 5.539 325 HD3 LYS 673 1HD LYS 673 3.452 17.796 5.848 326 HE2 LYS 673 2HE LYS 673 5.129 17.187 4.372 327 HE3 LYS 673 1HE LYS 673 4.717 15.475 4.453 328 HZ1 LYS 673 1HZ LYS 673 3.285 17.623 3.004 329 HZ2 LYS 673 2HZ LYS 673 2.589 16.109 3.297 330 HZ3 LYS 673 3HZ LYS 673 3.995 16.226 2.364 331 H PHE 674 H PHE 674 2.484 17.820 9.056 332 HA PHE 674 HA PHE 674 2.160 20.275 7.658 333 HB2 PHE 674 2HB PHE 674 0.432 18.389 8.129 334 HB3 PHE 674 1HB PHE 674 0.166 19.237 9.649 335 HD1 PHE 674 1HD PHE 674 -0.679 21.564 9.627 336 HD2 PHE 674 2HD PHE 674 -0.428 19.215 6.087 337 HE1 PHE 674 1HE PHE 674 -2.226 23.109 8.497 338 HE2 PHE 674 2HE PHE 674 -1.973 20.756 4.950 339 HZ PHE 674 HZ PHE 674 -2.874 22.706 6.155 340 H VAL 675 H VAL 675 2.011 19.450 11.122 341 HA VAL 675 HA VAL 675 1.999 22.285 11.810 342 HB VAL 675 HB VAL 675 1.952 19.924 13.692 343 HG11 VAL 675 1HG1 VAL 675 0.681 22.480 14.406 344 HG12 VAL 675 2HG1 VAL 675 2.439 22.517 14.276 345 HG13 VAL 675 3HG1 VAL 675 1.660 21.384 15.382 346 HG21 VAL 675 1HG2 VAL 675 -0.569 21.317 13.334 347 HG22 VAL 675 2HG2 VAL 675 -0.217 19.589 13.296 348 HG23 VAL 675 3HG2 VAL 675 -0.008 20.563 11.841 349 H PHE 676 H PHE 676 3.993 19.404 12.296 350 HA PHE 676 HA PHE 676 6.312 21.135 12.716 351 HB2 PHE 676 2HB PHE 676 6.918 19.149 14.464 352 HB3 PHE 676 1HB PHE 676 6.206 20.687 14.933 353 HD1 PHE 676 1HD PHE 676 4.697 17.671 13.333 354 HD2 PHE 676 2HD PHE 676 4.795 20.281 16.697 355 HE1 PHE 676 1HE PHE 676 2.765 16.484 14.315 356 HE2 PHE 676 2HE PHE 676 2.872 19.102 17.677 357 HZ PHE 676 HZ PHE 676 1.857 17.202 16.486 Start of MODEL 13 1 H1 GLY 630 1HT GLY 630 6.860 -21.319 4.375 2 H2 GLY 630 2HT GLY 630 5.797 -22.103 3.319 3 H3 GLY 630 3HT GLY 630 5.469 -20.524 3.831 4 HA2 GLY 630 HA2 GLY 630 7.259 -21.473 1.754 5 HA3 GLY 630 HA3 GLY 630 6.350 -19.972 1.850 6 H SER 631 H SER 631 7.814 -18.407 1.577 7 HA SER 631 HA SER 631 10.326 -18.565 3.094 8 HB2 SER 631 2HB SER 631 9.616 -17.544 0.443 9 HB3 SER 631 1HB SER 631 10.591 -16.415 1.383 10 HG SER 631 HG SER 631 11.285 -19.143 1.131 11 H ASP 632 H ASP 632 7.578 -16.454 2.383 12 HA ASP 632 HA ASP 632 8.144 -15.024 4.853 13 HB2 ASP 632 2HB ASP 632 9.135 -13.658 3.094 14 HB3 ASP 632 1HB ASP 632 7.596 -13.635 2.247 15 H LYS 633 H LYS 633 5.840 -13.771 2.631 16 HA LYS 633 HA LYS 633 3.703 -13.788 4.378 17 HB2 LYS 633 2HB LYS 633 2.278 -13.441 2.374 18 HB3 LYS 633 1HB LYS 633 3.690 -12.394 2.411 19 HG2 LYS 633 2HG LYS 633 4.800 -14.151 0.918 20 HG3 LYS 633 1HG LYS 633 3.167 -14.774 0.671 21 HD2 LYS 633 2HD LYS 633 3.796 -13.219 -1.106 22 HD3 LYS 633 1HD LYS 633 2.452 -12.587 -0.154 23 HE2 LYS 633 2HE LYS 633 4.953 -11.747 0.984 24 HE3 LYS 633 1HE LYS 633 4.898 -11.332 -0.728 25 HZ1 LYS 633 1HZ LYS 633 3.098 -9.960 -0.431 26 HZ2 LYS 633 2HZ LYS 633 3.934 -9.707 1.017 27 HZ3 LYS 633 3HZ LYS 633 2.586 -10.729 0.987 28 H THR 634 H THR 634 4.588 -16.200 1.946 29 HA THR 634 HA THR 634 3.475 -18.319 3.371 30 HB THR 634 HB THR 634 1.756 -18.526 1.163 31 HG1 THR 634 1HG THR 634 0.749 -16.648 1.021 32 HG21 THR 634 1HG2 THR 634 0.719 -19.429 2.921 33 HG22 THR 634 2HG2 THR 634 0.085 -17.801 3.163 34 HG23 THR 634 3HG2 THR 634 1.498 -18.341 4.070 35 H LEU 635 H LEU 635 4.826 -17.051 0.595 36 HA LEU 635 HA LEU 635 6.547 -19.099 0.071 37 HB2 LEU 635 2HB LEU 635 4.845 -20.598 -0.530 38 HB3 LEU 635 1HB LEU 635 3.971 -19.381 -1.432 39 HG LEU 635 HG LEU 635 5.148 -21.188 -2.780 40 HD11 LEU 635 1HD1 LEU 635 6.234 -18.603 -3.709 41 HD12 LEU 635 2HD1 LEU 635 4.495 -18.673 -3.426 42 HD13 LEU 635 3HD1 LEU 635 5.250 -19.796 -4.557 43 HD21 LEU 635 1HD2 LEU 635 7.505 -19.742 -1.638 44 HD22 LEU 635 2HD2 LEU 635 7.600 -20.461 -3.245 45 HD23 LEU 635 3HD2 LEU 635 7.240 -21.473 -1.847 46 HA PRO 636 HA PRO 636 6.267 -16.222 -3.879 47 HB2 PRO 636 2HB PRO 636 4.506 -14.118 -2.769 48 HB3 PRO 636 1HB PRO 636 4.546 -14.809 -4.393 49 HG2 PRO 636 2HG PRO 636 2.584 -15.378 -2.643 50 HG3 PRO 636 1HG PRO 636 3.167 -16.557 -3.830 51 HD2 PRO 636 2HD PRO 636 3.673 -16.403 -0.902 52 HD3 PRO 636 1HD PRO 636 3.540 -17.821 -1.956 53 H ASP 637 H ASP 637 6.091 -15.366 -0.543 54 HA ASP 637 HA ASP 637 7.066 -13.628 0.655 55 HB2 ASP 637 2HB ASP 637 9.234 -14.354 1.224 56 HB3 ASP 637 1HB ASP 637 8.364 -15.799 0.725 57 H GLN 638 H GLN 638 6.372 -12.373 -1.542 58 HA GLN 638 HA GLN 638 6.890 -10.776 -3.122 59 HB2 GLN 638 2HB GLN 638 7.907 -8.790 -2.028 60 HB3 GLN 638 1HB GLN 638 6.588 -9.505 -1.114 61 HG2 GLN 638 2HG GLN 638 7.918 -10.122 0.600 62 HG3 GLN 638 1HG GLN 638 9.306 -10.431 -0.438 63 HE21 GLN 638 1HE2 GLN 638 9.992 -8.259 -1.601 64 HE22 GLN 638 2HE2 GLN 638 10.251 -6.941 -0.513 65 H GLY 639 H GLY 639 8.161 -11.780 -4.671 66 HA2 GLY 639 2HA GLY 639 10.819 -10.752 -4.918 67 HA3 GLY 639 1HA GLY 639 10.821 -12.470 -4.548 68 H ASP 640 H ASP 640 8.816 -13.503 -5.976 69 HA ASP 640 HA ASP 640 9.814 -13.290 -8.675 70 HB2 ASP 640 2HB ASP 640 8.843 -15.373 -7.230 71 HB3 ASP 640 1HB ASP 640 7.415 -14.938 -8.164 72 H ASN 641 H ASN 641 6.876 -12.476 -6.917 73 HA ASN 641 HA ASN 641 6.141 -10.398 -8.631 74 HB2 ASN 641 2HB ASN 641 5.532 -12.889 -9.753 75 HB3 ASN 641 1HB ASN 641 4.002 -12.297 -9.114 76 HD21 ASN 641 1HD2 ASN 641 4.043 -9.677 -9.505 77 HD22 ASN 641 2HD2 ASN 641 4.202 -9.290 -11.181 78 H ASP 642 H ASP 642 5.699 -9.344 -6.721 79 HA ASP 642 HA ASP 642 3.739 -10.469 -4.889 80 HB2 ASP 642 2HB ASP 642 5.881 -9.245 -4.179 81 HB3 ASP 642 1HB ASP 642 5.038 -7.766 -4.631 82 H ASN 643 H ASN 643 3.344 -9.096 -7.723 83 HA ASN 643 HA ASN 643 1.759 -6.828 -7.368 84 HB2 ASN 643 2HB ASN 643 2.080 -8.861 -9.521 85 HB3 ASN 643 1HB ASN 643 0.680 -7.794 -9.602 86 HD21 ASN 643 1HD2 ASN 643 4.147 -7.551 -8.876 87 HD22 ASN 643 2HD2 ASN 643 4.422 -6.142 -9.838 88 H TRP 644 H TRP 644 1.062 -10.130 -6.699 89 HA TRP 644 HA TRP 644 -1.649 -10.349 -7.068 90 HB2 TRP 644 2HB TRP 644 -1.644 -12.087 -5.461 91 HB3 TRP 644 1HB TRP 644 -0.030 -12.099 -6.163 92 HD1 TRP 644 HD TRP 644 1.820 -10.557 -4.579 93 HE1 TRP 644 1HE TRP 644 2.104 -10.677 -2.024 94 HE3 TRP 644 3HE TRP 644 -2.708 -12.585 -3.360 95 HZ2 TRP 644 2HZ TRP 644 0.603 -11.524 0.214 96 HZ3 TRP 644 3HZ TRP 644 -3.207 -13.019 -0.990 97 HH2 TRP 644 HH TRP 644 -1.585 -12.500 0.759 98 H TRP 645 H TRP 645 0.055 -8.613 -4.538 99 HA TRP 645 HA TRP 645 -2.506 -7.440 -3.712 100 HB2 TRP 645 2HB TRP 645 -1.445 -9.252 -2.131 101 HB3 TRP 645 1HB TRP 645 -0.385 -7.930 -1.659 102 HD1 TRP 645 HD TRP 645 -3.873 -6.807 -2.459 103 HE1 TRP 645 1HE TRP 645 -5.134 -6.270 -0.281 104 HE3 TRP 645 3HE TRP 645 -0.567 -8.783 0.905 105 HZ2 TRP 645 2HZ TRP 645 -4.777 -6.636 2.494 106 HZ3 TRP 645 3HZ TRP 645 -1.103 -8.648 3.303 107 HH2 TRP 645 HH TRP 645 -3.165 -7.596 4.079 108 H THR 646 H THR 646 0.223 -6.752 -5.206 109 HA THR 646 HA THR 646 0.236 -4.010 -4.226 110 HB THR 646 HB THR 646 2.068 -5.392 -3.071 111 HG1 THR 646 1HG THR 646 2.836 -3.105 -4.558 112 HG21 THR 646 1HG2 THR 646 3.743 -6.314 -4.192 113 HG22 THR 646 2HG2 THR 646 3.951 -4.887 -5.206 114 HG23 THR 646 3HG2 THR 646 2.762 -6.115 -5.643 115 H GLY 647 H GLY 647 -0.592 -5.545 -6.672 116 HA2 GLY 647 2HA GLY 647 0.889 -3.882 -8.607 117 HA3 GLY 647 1HA GLY 647 0.534 -5.569 -8.952 118 H TRP 648 H TRP 648 -1.437 -6.128 -9.739 119 HA TRP 648 HA TRP 648 -3.083 -4.033 -10.780 120 HB2 TRP 648 2HB TRP 648 -4.473 -5.872 -11.664 121 HB3 TRP 648 1HB TRP 648 -2.766 -6.105 -12.033 122 HD1 TRP 648 HD TRP 648 -1.495 -8.104 -10.754 123 HE1 TRP 648 1HE TRP 648 -2.386 -10.227 -9.604 124 HE3 TRP 648 3HE TRP 648 -6.415 -6.786 -10.311 125 HZ2 TRP 648 2HZ TRP 648 -4.849 -11.212 -8.637 126 HZ3 TRP 648 3HZ TRP 648 -7.973 -8.375 -9.262 127 HH2 TRP 648 HH TRP 648 -7.204 -10.543 -8.443 128 H ARG 649 H ARG 649 -3.142 -6.051 -7.959 129 HA ARG 649 HA ARG 649 -5.899 -5.436 -7.320 130 HB2 ARG 649 2HB ARG 649 -4.883 -7.655 -6.798 131 HB3 ARG 649 1HB ARG 649 -3.809 -6.857 -5.659 132 HG2 ARG 649 2HG ARG 649 -5.912 -6.030 -4.494 133 HG3 ARG 649 1HG ARG 649 -6.784 -7.197 -5.489 134 HD2 ARG 649 2HD ARG 649 -4.396 -8.085 -3.934 135 HD3 ARG 649 1HD ARG 649 -5.931 -7.849 -3.099 136 HE ARG 649 HE ARG 649 -5.254 -9.969 -4.918 137 HH11 ARG 649 1HH1 ARG 649 -7.870 -8.122 -3.529 138 HH12 ARG 649 2HH1 ARG 649 -9.051 -9.361 -3.793 139 HH21 ARG 649 1HH2 ARG 649 -6.806 -11.597 -5.268 140 HH22 ARG 649 2HH2 ARG 649 -8.447 -11.335 -4.780 141 H GLN 650 H GLN 650 -2.886 -3.983 -6.967 142 HA GLN 650 HA GLN 650 -3.225 -2.779 -4.429 143 HB2 GLN 650 2HB GLN 650 -1.037 -3.110 -5.614 144 HB3 GLN 650 1HB GLN 650 -1.504 -1.813 -6.706 145 HG2 GLN 650 2HG GLN 650 -1.024 -0.215 -5.220 146 HG3 GLN 650 1HG GLN 650 -1.689 -1.129 -3.867 147 HE21 GLN 650 1HE2 GLN 650 -0.331 -2.091 -2.502 148 HE22 GLN 650 2HE2 GLN 650 1.378 -2.221 -2.720 149 H TRP 651 H TRP 651 -4.742 -2.242 -7.378 150 HA TRP 651 HA TRP 651 -6.059 0.090 -6.403 151 HB2 TRP 651 2HB TRP 651 -5.304 1.328 -8.644 152 HB3 TRP 651 1HB TRP 651 -4.418 1.491 -7.134 153 HD1 TRP 651 HD TRP 651 -4.264 -1.127 -10.010 154 HE1 TRP 651 1HE TRP 651 -1.786 -1.462 -10.624 155 HE3 TRP 651 3HE TRP 651 -2.157 2.170 -6.723 156 HZ2 TRP 651 2HZ TRP 651 0.728 -0.461 -9.822 157 HZ3 TRP 651 3HZ TRP 651 0.290 2.423 -6.708 158 HH2 TRP 651 HH TRP 651 1.702 1.133 -8.226 159 H ILE 652 H ILE 652 -7.107 -2.324 -7.102 160 HA ILE 652 HA ILE 652 -8.129 -2.079 -9.818 161 HB ILE 652 HB ILE 652 -7.372 -4.290 -8.970 162 HG12 ILE 652 2HG1 ILE 652 -9.756 -5.375 -9.611 163 HG13 ILE 652 1HG1 ILE 652 -10.020 -3.726 -10.167 164 HG21 ILE 652 1HG2 ILE 652 -9.115 -5.529 -7.571 165 HG22 ILE 652 2HG2 ILE 652 -9.709 -3.928 -7.128 166 HG23 ILE 652 3HG2 ILE 652 -8.052 -4.392 -6.741 167 HD11 ILE 652 1HD1 ILE 652 -8.948 -5.642 -11.686 168 HD12 ILE 652 2HD1 ILE 652 -7.478 -4.982 -10.971 169 HD13 ILE 652 3HD1 ILE 652 -8.568 -3.930 -11.876 170 HA PRO 653 HA PRO 653 -12.153 -1.488 -7.352 171 HB2 PRO 653 2HB PRO 653 -12.111 -0.956 -4.758 172 HB3 PRO 653 1HB PRO 653 -11.828 -2.605 -5.334 173 HG2 PRO 653 2HG PRO 653 -9.880 -0.571 -4.359 174 HG3 PRO 653 1HG PRO 653 -9.890 -2.324 -4.105 175 HD2 PRO 653 2HD PRO 653 -8.386 -0.936 -6.026 176 HD3 PRO 653 1HD PRO 653 -8.682 -2.682 -5.991 177 H ALA 654 H ALA 654 -9.481 0.604 -7.128 178 HA ALA 654 HA ALA 654 -9.317 2.865 -7.419 179 HB1 ALA 654 1HB ALA 654 -12.300 3.149 -7.259 180 HB2 ALA 654 2HB ALA 654 -11.513 2.543 -8.717 181 HB3 ALA 654 3HB ALA 654 -11.133 4.156 -8.115 182 H GLY 655 H GLY 655 -8.339 3.135 -5.448 183 HA2 GLY 655 2HA GLY 655 -8.371 4.610 -3.546 184 HA3 GLY 655 1HA GLY 655 -10.070 4.220 -3.327 185 H ILE 656 H ILE 656 -7.346 2.037 -3.868 186 HA ILE 656 HA ILE 656 -7.922 0.789 -1.259 187 HB ILE 656 HB ILE 656 -8.405 -0.625 -3.225 188 HG12 ILE 656 2HG1 ILE 656 -6.986 -2.590 -2.486 189 HG13 ILE 656 1HG1 ILE 656 -6.155 -1.479 -1.402 190 HG21 ILE 656 1HG2 ILE 656 -5.481 -0.853 -3.732 191 HG22 ILE 656 2HG2 ILE 656 -6.403 0.456 -4.468 192 HG23 ILE 656 3HG2 ILE 656 -6.837 -1.222 -4.799 193 HD11 ILE 656 1HD1 ILE 656 -8.395 -0.971 -0.385 194 HD12 ILE 656 2HD1 ILE 656 -7.786 -2.605 -0.122 195 HD13 ILE 656 3HD1 ILE 656 -9.037 -2.314 -1.331 196 H GLY 657 H GLY 657 -5.353 1.733 -3.517 197 HA2 GLY 657 2HA GLY 657 -3.458 1.619 -1.253 198 HA3 GLY 657 1HA GLY 657 -3.012 1.056 -2.857 199 H VAL 658 H VAL 658 -3.727 2.857 -4.582 200 HA VAL 658 HA VAL 658 -1.941 4.998 -4.199 201 HB VAL 658 HB VAL 658 -2.814 3.986 -6.401 202 HG11 VAL 658 1HG1 VAL 658 -4.711 5.039 -7.434 203 HG12 VAL 658 2HG1 VAL 658 -4.944 6.086 -6.034 204 HG13 VAL 658 3HG1 VAL 658 -5.210 4.347 -5.889 205 HG21 VAL 658 1HG2 VAL 658 -2.890 6.919 -6.689 206 HG22 VAL 658 2HG2 VAL 658 -1.870 5.725 -7.490 207 HG23 VAL 658 3HG2 VAL 658 -1.485 6.260 -5.854 208 H THR 659 H THR 659 -5.422 4.704 -3.897 209 HA THR 659 HA THR 659 -5.499 7.365 -2.642 210 HB THR 659 HB THR 659 -7.515 5.989 -4.411 211 HG1 THR 659 1HG THR 659 -7.347 7.919 -5.551 212 HG21 THR 659 1HG2 THR 659 -8.780 6.852 -2.516 213 HG22 THR 659 2HG2 THR 659 -9.087 7.787 -3.979 214 HG23 THR 659 3HG2 THR 659 -8.023 8.431 -2.728 215 H GLY 660 H GLY 660 -6.067 3.999 -2.320 216 HA2 GLY 660 2HA GLY 660 -7.937 4.217 -0.131 217 HA3 GLY 660 1HA GLY 660 -7.181 2.747 -0.730 218 H VAL 661 H VAL 661 -4.626 2.939 -0.401 219 HA VAL 661 HA VAL 661 -4.270 3.020 2.464 220 HB VAL 661 HB VAL 661 -2.351 2.276 0.249 221 HG11 VAL 661 1HG1 VAL 661 -1.128 1.176 2.236 222 HG12 VAL 661 2HG1 VAL 661 -2.031 2.322 3.227 223 HG13 VAL 661 3HG1 VAL 661 -0.933 2.910 1.979 224 HG21 VAL 661 1HG2 VAL 661 -3.409 0.324 0.234 225 HG22 VAL 661 2HG2 VAL 661 -4.492 0.867 1.516 226 HG23 VAL 661 3HG2 VAL 661 -2.962 0.091 1.924 227 H VAL 662 H VAL 662 -2.440 4.365 -0.263 228 HA VAL 662 HA VAL 662 -0.723 6.043 0.949 229 HB VAL 662 HB VAL 662 -2.305 6.454 -1.568 230 HG11 VAL 662 1HG1 VAL 662 -1.666 8.670 -0.792 231 HG12 VAL 662 2HG1 VAL 662 -0.675 8.215 -2.178 232 HG13 VAL 662 3HG1 VAL 662 -0.005 8.130 -0.549 233 HG21 VAL 662 1HG2 VAL 662 -0.560 5.478 -2.673 234 HG22 VAL 662 2HG2 VAL 662 -0.445 4.635 -1.129 235 HG23 VAL 662 3HG2 VAL 662 0.631 5.989 -1.477 236 H ILE 663 H ILE 663 -4.158 6.542 0.605 237 HA ILE 663 HA ILE 663 -4.097 9.283 1.424 238 HB ILE 663 HB ILE 663 -5.866 7.897 0.038 239 HG12 ILE 663 2HG1 ILE 663 -6.749 10.097 1.913 240 HG13 ILE 663 1HG1 ILE 663 -5.775 10.370 0.472 241 HG21 ILE 663 1HG2 ILE 663 -7.190 7.910 2.739 242 HG22 ILE 663 2HG2 ILE 663 -6.421 6.482 2.046 243 HG23 ILE 663 3HG2 ILE 663 -7.797 7.225 1.231 244 HD11 ILE 663 1HD1 ILE 663 -8.176 8.833 -0.075 245 HD12 ILE 663 2HD1 ILE 663 -7.551 10.283 -0.860 246 HD13 ILE 663 3HD1 ILE 663 -8.512 10.422 0.612 247 H ALA 664 H ALA 664 -4.713 6.193 3.001 248 HA ALA 664 HA ALA 664 -5.410 7.419 5.517 249 HB1 ALA 664 1HB ALA 664 -6.518 5.450 5.430 250 HB2 ALA 664 2HB ALA 664 -5.039 4.855 6.184 251 HB3 ALA 664 3HB ALA 664 -5.279 4.669 4.446 252 H VAL 665 H VAL 665 -2.525 6.293 3.962 253 HA VAL 665 HA VAL 665 -1.020 6.079 6.430 254 HB VAL 665 HB VAL 665 0.873 5.491 5.083 255 HG11 VAL 665 1HG1 VAL 665 -1.339 4.186 3.564 256 HG12 VAL 665 2HG1 VAL 665 -1.204 3.925 5.303 257 HG13 VAL 665 3HG1 VAL 665 0.131 3.482 4.239 258 HG21 VAL 665 1HG2 VAL 665 -0.757 6.520 2.774 259 HG22 VAL 665 2HG2 VAL 665 0.666 5.501 2.563 260 HG23 VAL 665 3HG2 VAL 665 0.819 7.082 3.329 261 H ILE 666 H ILE 666 -1.219 8.222 3.642 262 HA ILE 666 HA ILE 666 0.788 10.033 4.455 263 HB ILE 666 HB ILE 666 -1.542 10.240 2.564 264 HG12 ILE 666 2HG1 ILE 666 1.457 10.132 2.148 265 HG13 ILE 666 1HG1 ILE 666 0.321 8.819 1.854 266 HG21 ILE 666 1HG2 ILE 666 0.491 12.354 3.248 267 HG22 ILE 666 2HG2 ILE 666 -1.267 12.470 3.325 268 HG23 ILE 666 3HG2 ILE 666 -0.457 12.370 1.761 269 HD11 ILE 666 1HD1 ILE 666 0.461 11.434 0.374 270 HD12 ILE 666 2HD1 ILE 666 -0.749 10.179 0.105 271 HD13 ILE 666 3HD1 ILE 666 0.952 9.849 -0.226 272 H ALA 667 H ALA 667 -2.671 9.809 5.011 273 HA ALA 667 HA ALA 667 -3.405 12.234 5.936 274 HB1 ALA 667 1HB ALA 667 -5.189 11.179 6.798 275 HB2 ALA 667 2HB ALA 667 -4.201 10.066 7.748 276 HB3 ALA 667 3HB ALA 667 -4.481 9.755 6.033 277 H LEU 668 H LEU 668 -1.326 9.934 7.588 278 HA LEU 668 HA LEU 668 -1.154 11.535 9.982 279 HB2 LEU 668 2HB LEU 668 -1.091 9.137 10.194 280 HB3 LEU 668 1HB LEU 668 0.246 9.030 9.064 281 HG LEU 668 HG LEU 668 1.796 9.804 10.616 282 HD11 LEU 668 1HD1 LEU 668 0.536 11.799 11.295 283 HD12 LEU 668 2HD1 LEU 668 1.238 10.957 12.680 284 HD13 LEU 668 3HD1 LEU 668 -0.482 10.792 12.325 285 HD21 LEU 668 1HD2 LEU 668 0.184 8.573 12.723 286 HD22 LEU 668 2HD2 LEU 668 1.746 8.092 12.058 287 HD23 LEU 668 3HD2 LEU 668 0.256 7.640 11.228 288 H PHE 669 H PHE 669 1.268 10.280 7.683 289 HA PHE 669 HA PHE 669 3.398 11.872 8.436 290 HB2 PHE 669 2HB PHE 669 2.807 10.068 6.331 291 HB3 PHE 669 1HB PHE 669 3.455 11.526 5.586 292 HD1 PHE 669 1HD PHE 669 4.202 9.526 8.652 293 HD2 PHE 669 2HD PHE 669 5.693 11.401 5.135 294 HE1 PHE 669 1HE PHE 669 6.480 8.802 9.237 295 HE2 PHE 669 2HE PHE 669 7.974 10.681 5.713 296 HZ PHE 669 HZ PHE 669 8.369 9.380 7.766 297 H ALA 670 H ALA 670 0.597 12.689 6.594 298 HA ALA 670 HA ALA 670 1.607 15.045 5.375 299 HB1 ALA 670 1HB ALA 670 -0.418 13.698 4.654 300 HB2 ALA 670 2HB ALA 670 -0.610 15.453 4.675 301 HB3 ALA 670 3HB ALA 670 -1.284 14.479 5.980 302 H ILE 671 H ILE 671 0.457 14.304 8.561 303 HA ILE 671 HA ILE 671 -0.131 17.062 9.211 304 HB ILE 671 HB ILE 671 0.079 14.750 11.121 305 HG12 ILE 671 2HG1 ILE 671 -2.541 15.722 10.047 306 HG13 ILE 671 1HG1 ILE 671 -1.594 14.590 9.087 307 HG21 ILE 671 1HG2 ILE 671 -1.469 16.134 12.471 308 HG22 ILE 671 2HG2 ILE 671 -1.298 17.421 11.279 309 HG23 ILE 671 3HG2 ILE 671 0.103 16.887 12.207 310 HD11 ILE 671 1HD1 ILE 671 -2.774 14.179 11.811 311 HD12 ILE 671 2HD1 ILE 671 -1.544 13.111 11.136 312 HD13 ILE 671 3HD1 ILE 671 -3.100 13.288 10.325 313 H ALA 672 H ALA 672 2.360 14.694 9.811 314 HA ALA 672 HA ALA 672 3.870 16.080 11.708 315 HB1 ALA 672 1HB ALA 672 4.290 13.783 11.257 316 HB2 ALA 672 2HB ALA 672 5.748 14.684 10.837 317 HB3 ALA 672 3HB ALA 672 4.654 14.128 9.568 318 H LYS 673 H LYS 673 3.635 16.383 8.255 319 HA LYS 673 HA LYS 673 5.882 18.218 8.124 320 HB2 LYS 673 2HB LYS 673 4.973 18.333 5.633 321 HB3 LYS 673 1HB LYS 673 5.976 17.004 6.193 322 HG2 LYS 673 2HG LYS 673 4.365 15.510 5.850 323 HG3 LYS 673 1HG LYS 673 3.149 16.512 6.639 324 HD2 LYS 673 2HD LYS 673 2.263 16.769 4.609 325 HD3 LYS 673 1HD LYS 673 3.613 17.859 4.292 326 HE2 LYS 673 2HE LYS 673 4.409 15.116 3.909 327 HE3 LYS 673 1HE LYS 673 2.981 15.486 2.945 328 HZ1 LYS 673 1HZ LYS 673 4.518 17.641 2.504 329 HZ2 LYS 673 2HZ LYS 673 4.473 16.280 1.500 330 HZ3 LYS 673 3HZ LYS 673 5.694 16.434 2.660 331 H PHE 674 H PHE 674 2.501 18.322 8.548 332 HA PHE 674 HA PHE 674 2.263 21.059 7.571 333 HB2 PHE 674 2HB PHE 674 0.496 18.924 7.706 334 HB3 PHE 674 1HB PHE 674 -0.046 19.994 8.992 335 HD1 PHE 674 1HD PHE 674 0.030 22.599 8.179 336 HD2 PHE 674 2HD PHE 674 -0.569 19.189 5.704 337 HE1 PHE 674 1HE PHE 674 -1.123 24.008 6.522 338 HE2 PHE 674 2HE PHE 674 -1.721 20.591 4.043 339 HZ PHE 674 HZ PHE 674 -1.999 23.004 4.451 340 H VAL 675 H VAL 675 2.338 19.256 10.587 341 HA VAL 675 HA VAL 675 1.832 21.693 12.119 342 HB VAL 675 HB VAL 675 2.278 18.888 13.139 343 HG11 VAL 675 1HG1 VAL 675 0.742 20.306 14.954 344 HG12 VAL 675 2HG1 VAL 675 1.964 21.465 14.432 345 HG13 VAL 675 3HG1 VAL 675 2.454 19.913 15.111 346 HG21 VAL 675 1HG2 VAL 675 -0.332 20.341 12.742 347 HG22 VAL 675 2HG2 VAL 675 -0.112 18.694 13.332 348 HG23 VAL 675 3HG2 VAL 675 0.296 19.095 11.663 349 H PHE 676 H PHE 676 4.467 20.018 10.864 350 HA PHE 676 HA PHE 676 6.263 21.437 12.709 351 HB2 PHE 676 2HB PHE 676 6.936 18.705 11.631 352 HB3 PHE 676 1HB PHE 676 7.738 19.597 12.917 353 HD1 PHE 676 1HD PHE 676 4.402 18.138 12.098 354 HD2 PHE 676 2HD PHE 676 7.292 19.026 15.093 355 HE1 PHE 676 1HE PHE 676 3.032 16.955 13.764 356 HE2 PHE 676 2HE PHE 676 5.925 17.850 16.766 357 HZ PHE 676 HZ PHE 676 3.793 16.811 16.103 Start of MODEL 14 1 H1 GLY 630 1HT GLY 630 7.414 -20.400 5.518 2 H2 GLY 630 2HT GLY 630 6.248 -19.533 4.652 3 H3 GLY 630 3HT GLY 630 7.763 -18.844 4.950 4 HA2 GLY 630 HA2 GLY 630 7.873 -21.381 3.580 5 HA3 GLY 630 HA3 GLY 630 7.069 -20.109 2.675 6 H SER 631 H SER 631 8.361 -19.014 1.367 7 HA SER 631 HA SER 631 11.236 -19.033 1.875 8 HB2 SER 631 2HB SER 631 9.526 -18.789 -0.517 9 HB3 SER 631 1HB SER 631 10.966 -17.772 -0.525 10 HG SER 631 HG SER 631 11.070 -20.526 0.108 11 H ASP 632 H ASP 632 8.587 -16.740 1.310 12 HA ASP 632 HA ASP 632 10.166 -14.706 2.666 13 HB2 ASP 632 2HB ASP 632 10.512 -14.317 0.274 14 HB3 ASP 632 1HB ASP 632 8.772 -14.209 0.051 15 H LYS 633 H LYS 633 7.257 -13.988 0.944 16 HA LYS 633 HA LYS 633 5.948 -12.841 3.111 17 HB2 LYS 633 2HB LYS 633 3.901 -12.980 1.694 18 HB3 LYS 633 1HB LYS 633 5.290 -12.292 0.863 19 HG2 LYS 633 2HG LYS 633 5.615 -14.826 0.135 20 HG3 LYS 633 1HG LYS 633 3.871 -14.845 0.400 21 HD2 LYS 633 2HD LYS 633 5.224 -12.747 -1.277 22 HD3 LYS 633 1HD LYS 633 4.669 -14.281 -1.949 23 HE2 LYS 633 2HE LYS 633 2.781 -13.091 -2.319 24 HE3 LYS 633 1HE LYS 633 2.448 -13.546 -0.649 25 HZ1 LYS 633 1HZ LYS 633 2.647 -11.444 0.039 26 HZ2 LYS 633 2HZ LYS 633 2.452 -11.023 -1.587 27 HZ3 LYS 633 3HZ LYS 633 4.004 -11.134 -0.924 28 H THR 634 H THR 634 5.734 -16.110 1.790 29 HA THR 634 HA THR 634 5.090 -17.276 4.230 30 HB THR 634 HB THR 634 2.661 -17.907 2.972 31 HG1 THR 634 1HG THR 634 2.713 -15.129 3.309 32 HG21 THR 634 1HG2 THR 634 2.757 -17.915 5.320 33 HG22 THR 634 2HG2 THR 634 1.656 -16.609 4.880 34 HG23 THR 634 3HG2 THR 634 3.307 -16.241 5.379 35 H LEU 635 H LEU 635 5.320 -17.418 0.895 36 HA LEU 635 HA LEU 635 6.561 -19.864 0.773 37 HB2 LEU 635 2HB LEU 635 4.501 -20.916 1.400 38 HB3 LEU 635 1HB LEU 635 3.629 -20.053 0.152 39 HG LEU 635 HG LEU 635 4.207 -22.529 -0.249 40 HD11 LEU 635 1HD1 LEU 635 4.066 -22.200 -2.509 41 HD12 LEU 635 2HD1 LEU 635 5.185 -20.838 -2.494 42 HD13 LEU 635 3HD1 LEU 635 3.530 -20.626 -1.924 43 HD21 LEU 635 1HD2 LEU 635 6.511 -22.533 0.401 44 HD22 LEU 635 2HD2 LEU 635 6.892 -21.242 -0.740 45 HD23 LEU 635 3HD2 LEU 635 6.433 -22.839 -1.334 46 HA PRO 636 HA PRO 636 5.261 -18.663 -3.748 47 HB2 PRO 636 2HB PRO 636 4.047 -16.146 -3.805 48 HB3 PRO 636 1HB PRO 636 3.235 -17.691 -4.060 49 HG2 PRO 636 2HG PRO 636 3.324 -15.977 -1.644 50 HG3 PRO 636 1HG PRO 636 2.047 -17.065 -2.208 51 HD2 PRO 636 2HD PRO 636 3.700 -17.654 -0.137 52 HD3 PRO 636 1HD PRO 636 2.992 -18.896 -1.177 53 H ASP 637 H ASP 637 6.227 -16.614 -1.166 54 HA ASP 637 HA ASP 637 7.619 -14.762 -1.090 55 HB2 ASP 637 2HB ASP 637 9.830 -15.586 -1.045 56 HB3 ASP 637 1HB ASP 637 8.797 -16.950 -0.638 57 H GLN 638 H GLN 638 6.221 -14.187 -3.215 58 HA GLN 638 HA GLN 638 6.150 -13.197 -5.271 59 HB2 GLN 638 2HB GLN 638 7.882 -11.402 -5.534 60 HB3 GLN 638 1HB GLN 638 7.009 -11.375 -4.009 61 HG2 GLN 638 2HG GLN 638 8.862 -12.278 -2.834 62 HG3 GLN 638 1HG GLN 638 9.719 -12.629 -4.333 63 HE21 GLN 638 1HE2 GLN 638 8.146 -9.836 -2.802 64 HE22 GLN 638 2HE2 GLN 638 9.428 -8.724 -3.125 65 H GLY 639 H GLY 639 6.328 -14.695 -6.856 66 HA2 GLY 639 2HA GLY 639 8.709 -14.701 -8.421 67 HA3 GLY 639 1HA GLY 639 8.534 -16.214 -7.546 68 H ASP 640 H ASP 640 5.917 -16.784 -7.659 69 HA ASP 640 HA ASP 640 5.547 -17.328 -10.494 70 HB2 ASP 640 2HB ASP 640 4.034 -18.340 -8.076 71 HB3 ASP 640 1HB ASP 640 3.783 -18.882 -9.733 72 H ASN 641 H ASN 641 3.949 -15.638 -7.852 73 HA ASN 641 HA ASN 641 2.609 -13.871 -9.615 74 HB2 ASN 641 2HB ASN 641 1.142 -16.264 -8.662 75 HB3 ASN 641 1HB ASN 641 0.283 -14.731 -8.551 76 HD21 ASN 641 1HD2 ASN 641 0.250 -17.254 -10.342 77 HD22 ASN 641 2HD2 ASN 641 0.103 -16.593 -11.931 78 H ASP 642 H ASP 642 3.430 -12.274 -8.310 79 HA ASP 642 HA ASP 642 2.649 -12.262 -5.486 80 HB2 ASP 642 2HB ASP 642 4.297 -10.483 -5.213 81 HB3 ASP 642 1HB ASP 642 5.027 -11.863 -6.023 82 H ASN 643 H ASN 643 2.275 -10.499 -8.486 83 HA ASN 643 HA ASN 643 1.158 -8.131 -7.649 84 HB2 ASN 643 2HB ASN 643 0.211 -9.705 -10.044 85 HB3 ASN 643 1HB ASN 643 0.164 -7.958 -9.828 86 HD21 ASN 643 1HD2 ASN 643 2.693 -7.540 -8.778 87 HD22 ASN 643 2HD2 ASN 643 3.869 -7.888 -9.995 88 H TRP 644 H TRP 644 -0.246 -11.302 -7.528 89 HA TRP 644 HA TRP 644 -2.947 -10.828 -7.574 90 HB2 TRP 644 2HB TRP 644 -3.240 -12.834 -6.349 91 HB3 TRP 644 1HB TRP 644 -1.745 -13.049 -7.251 92 HD1 TRP 644 HD TRP 644 0.566 -12.425 -5.689 93 HE1 TRP 644 1HE TRP 644 1.023 -13.139 -3.259 94 HE3 TRP 644 3HE TRP 644 -4.226 -13.430 -4.226 95 HZ2 TRP 644 2HZ TRP 644 -0.455 -14.015 -1.017 96 HZ3 TRP 644 3HZ TRP 644 -4.620 -14.201 -1.923 97 HH2 TRP 644 HH TRP 644 -2.772 -14.487 -0.353 98 H TRP 645 H TRP 645 -0.663 -9.894 -5.130 99 HA TRP 645 HA TRP 645 -2.716 -8.334 -3.804 100 HB2 TRP 645 2HB TRP 645 -2.455 -10.709 -2.730 101 HB3 TRP 645 1HB TRP 645 -0.985 -10.028 -2.039 102 HD1 TRP 645 HD TRP 645 -4.761 -9.133 -2.187 103 HE1 TRP 645 1HE TRP 645 -5.401 -8.045 0.056 104 HE3 TRP 645 3HE TRP 645 -0.159 -9.095 0.039 105 HZ2 TRP 645 2HZ TRP 645 -4.123 -7.274 2.452 106 HZ3 TRP 645 3HZ TRP 645 0.047 -8.165 2.307 107 HH2 TRP 645 HH TRP 645 -1.896 -7.273 3.487 108 H THR 646 H THR 646 -0.190 -7.940 -5.382 109 HA THR 646 HA THR 646 0.865 -5.817 -3.774 110 HB THR 646 HB THR 646 2.069 -7.867 -2.922 111 HG1 THR 646 1HG THR 646 3.482 -5.727 -4.106 112 HG21 THR 646 1HG2 THR 646 4.095 -8.015 -4.875 113 HG22 THR 646 2HG2 THR 646 2.557 -8.305 -5.688 114 HG23 THR 646 3HG2 THR 646 3.024 -9.294 -4.304 115 H GLY 647 H GLY 647 -0.367 -6.267 -6.410 116 HA2 GLY 647 2HA GLY 647 1.559 -4.714 -7.952 117 HA3 GLY 647 1HA GLY 647 1.066 -6.251 -8.649 118 H TRP 648 H TRP 648 -1.081 -6.524 -9.353 119 HA TRP 648 HA TRP 648 -2.281 -4.139 -10.369 120 HB2 TRP 648 2HB TRP 648 -3.963 -5.650 -11.333 121 HB3 TRP 648 1HB TRP 648 -2.331 -6.231 -11.646 122 HD1 TRP 648 HD TRP 648 -1.701 -8.601 -10.751 123 HE1 TRP 648 1HE TRP 648 -3.000 -10.450 -9.519 124 HE3 TRP 648 3HE TRP 648 -5.900 -5.959 -9.514 125 HZ2 TRP 648 2HZ TRP 648 -5.476 -10.749 -8.197 126 HZ3 TRP 648 3HZ TRP 648 -7.687 -7.101 -8.266 127 HH2 TRP 648 HH TRP 648 -7.478 -9.447 -7.622 128 H ARG 649 H ARG 649 -2.661 -6.012 -7.514 129 HA ARG 649 HA ARG 649 -5.328 -5.044 -6.936 130 HB2 ARG 649 2HB ARG 649 -3.927 -7.292 -6.198 131 HB3 ARG 649 1HB ARG 649 -3.821 -6.298 -4.752 132 HG2 ARG 649 2HG ARG 649 -6.360 -6.029 -4.991 133 HG3 ARG 649 1HG ARG 649 -6.255 -7.396 -6.103 134 HD2 ARG 649 2HD ARG 649 -4.823 -8.390 -4.079 135 HD3 ARG 649 1HD ARG 649 -5.863 -7.291 -3.171 136 HE ARG 649 HE ARG 649 -7.109 -9.165 -5.039 137 HH11 ARG 649 1HH1 ARG 649 -6.469 -8.226 -1.733 138 HH12 ARG 649 2HH1 ARG 649 -7.715 -9.232 -1.080 139 HH21 ARG 649 1HH2 ARG 649 -8.744 -10.484 -4.175 140 HH22 ARG 649 2HH2 ARG 649 -9.006 -10.513 -2.463 141 H GLN 650 H GLN 650 -2.169 -3.926 -6.615 142 HA GLN 650 HA GLN 650 -2.346 -2.596 -4.139 143 HB2 GLN 650 2HB GLN 650 -0.530 -2.461 -6.495 144 HB3 GLN 650 1HB GLN 650 -0.462 -1.161 -5.314 145 HG2 GLN 650 2HG GLN 650 -0.435 -3.807 -4.102 146 HG3 GLN 650 1HG GLN 650 0.918 -3.527 -5.197 147 HE21 GLN 650 1HE2 GLN 650 2.551 -2.239 -4.568 148 HE22 GLN 650 2HE2 GLN 650 2.619 -1.410 -3.054 149 H TRP 651 H TRP 651 -3.978 -1.994 -6.998 150 HA TRP 651 HA TRP 651 -5.024 0.472 -6.033 151 HB2 TRP 651 2HB TRP 651 -4.306 1.804 -8.072 152 HB3 TRP 651 1HB TRP 651 -3.050 1.483 -6.880 153 HD1 TRP 651 HD TRP 651 -1.388 -0.696 -7.541 154 HE1 TRP 651 1HE TRP 651 -0.451 -1.319 -9.855 155 HE3 TRP 651 3HE TRP 651 -4.696 1.872 -10.473 156 HZ2 TRP 651 2HZ TRP 651 -1.037 -0.791 -12.566 157 HZ3 TRP 651 3HZ TRP 651 -4.438 1.762 -12.918 158 HH2 TRP 651 HH TRP 651 -2.646 0.457 -13.941 159 H ILE 652 H ILE 652 -6.173 -1.979 -6.739 160 HA ILE 652 HA ILE 652 -7.362 -1.612 -9.365 161 HB ILE 652 HB ILE 652 -6.666 -3.872 -8.608 162 HG12 ILE 652 2HG1 ILE 652 -9.089 -4.867 -9.127 163 HG13 ILE 652 1HG1 ILE 652 -9.400 -3.189 -9.559 164 HG21 ILE 652 1HG2 ILE 652 -8.858 -3.443 -6.606 165 HG22 ILE 652 2HG2 ILE 652 -7.199 -3.975 -6.335 166 HG23 ILE 652 3HG2 ILE 652 -8.356 -5.057 -7.108 167 HD11 ILE 652 1HD1 ILE 652 -7.352 -3.339 -11.034 168 HD12 ILE 652 2HD1 ILE 652 -8.765 -4.262 -11.544 169 HD13 ILE 652 3HD1 ILE 652 -7.412 -5.080 -10.764 170 HA PRO 653 HA PRO 653 -11.190 -0.858 -6.644 171 HB2 PRO 653 2HB PRO 653 -10.956 -0.394 -4.046 172 HB3 PRO 653 1HB PRO 653 -10.807 -2.041 -4.674 173 HG2 PRO 653 2HG PRO 653 -8.689 -0.155 -3.766 174 HG3 PRO 653 1HG PRO 653 -8.779 -1.914 -3.576 175 HD2 PRO 653 2HD PRO 653 -7.335 -0.516 -5.546 176 HD3 PRO 653 1HD PRO 653 -7.692 -2.250 -5.536 177 H ALA 654 H ALA 654 -8.398 1.070 -6.579 178 HA ALA 654 HA ALA 654 -8.119 3.321 -6.843 179 HB1 ALA 654 1HB ALA 654 -10.810 4.278 -6.411 180 HB2 ALA 654 2HB ALA 654 -10.780 2.965 -7.588 181 HB3 ALA 654 3HB ALA 654 -9.788 4.401 -7.842 182 H GLY 655 H GLY 655 -6.987 3.454 -4.932 183 HA2 GLY 655 2HA GLY 655 -6.771 4.893 -3.016 184 HA3 GLY 655 1HA GLY 655 -8.481 4.648 -2.693 185 H ILE 656 H ILE 656 -5.914 2.304 -3.385 186 HA ILE 656 HA ILE 656 -6.508 1.015 -0.801 187 HB ILE 656 HB ILE 656 -7.113 -0.317 -2.780 188 HG12 ILE 656 2HG1 ILE 656 -5.798 -2.375 -2.148 189 HG13 ILE 656 1HG1 ILE 656 -4.838 -1.350 -1.085 190 HG21 ILE 656 1HG2 ILE 656 -5.662 -0.903 -4.447 191 HG22 ILE 656 2HG2 ILE 656 -4.243 -0.731 -3.414 192 HG23 ILE 656 3HG2 ILE 656 -5.058 0.703 -4.037 193 HD11 ILE 656 1HD1 ILE 656 -6.332 -1.655 0.511 194 HD12 ILE 656 2HD1 ILE 656 -7.335 -2.607 -0.583 195 HD13 ILE 656 3HD1 ILE 656 -7.548 -0.859 -0.487 196 H GLY 657 H GLY 657 -3.921 1.879 -3.073 197 HA2 GLY 657 2HA GLY 657 -2.027 1.703 -0.824 198 HA3 GLY 657 1HA GLY 657 -1.625 0.979 -2.375 199 H VAL 658 H VAL 658 -2.056 2.616 -4.264 200 HA VAL 658 HA VAL 658 -0.173 4.677 -4.012 201 HB VAL 658 HB VAL 658 -1.123 3.511 -6.136 202 HG11 VAL 658 1HG1 VAL 658 -2.974 5.887 -6.017 203 HG12 VAL 658 2HG1 VAL 658 -3.459 4.212 -5.752 204 HG13 VAL 658 3HG1 VAL 658 -2.841 4.712 -7.326 205 HG21 VAL 658 1HG2 VAL 658 0.504 5.600 -5.781 206 HG22 VAL 658 2HG2 VAL 658 -0.798 6.406 -6.656 207 HG23 VAL 658 3HG2 VAL 658 0.025 5.023 -7.377 208 H THR 659 H THR 659 -3.658 4.604 -3.739 209 HA THR 659 HA THR 659 -3.617 7.384 -2.772 210 HB THR 659 HB THR 659 -5.782 5.899 -4.272 211 HG1 THR 659 1HG THR 659 -4.983 6.939 -5.884 212 HG21 THR 659 1HG2 THR 659 -7.212 7.782 -4.077 213 HG22 THR 659 2HG2 THR 659 -5.979 8.707 -3.221 214 HG23 THR 659 3HG2 THR 659 -6.734 7.315 -2.445 215 H GLY 660 H GLY 660 -4.346 4.095 -2.091 216 HA2 GLY 660 2HA GLY 660 -6.174 4.644 0.073 217 HA3 GLY 660 1HA GLY 660 -5.505 3.080 -0.370 218 H VAL 661 H VAL 661 -2.821 3.505 -0.192 219 HA VAL 661 HA VAL 661 -2.451 3.596 2.676 220 HB VAL 661 HB VAL 661 -0.529 2.990 0.423 221 HG11 VAL 661 1HG1 VAL 661 0.756 3.963 2.204 222 HG12 VAL 661 2HG1 VAL 661 1.012 2.218 2.219 223 HG13 VAL 661 3HG1 VAL 661 -0.064 2.962 3.403 224 HG21 VAL 661 1HG2 VAL 661 -0.980 0.801 0.743 225 HG22 VAL 661 2HG2 VAL 661 -2.499 1.424 1.386 226 HG23 VAL 661 3HG2 VAL 661 -1.189 0.989 2.484 227 H VAL 662 H VAL 662 -0.839 5.124 -0.086 228 HA VAL 662 HA VAL 662 0.741 6.970 1.088 229 HB VAL 662 HB VAL 662 -0.995 7.313 -1.350 230 HG11 VAL 662 1HG1 VAL 662 1.479 8.922 -0.752 231 HG12 VAL 662 2HG1 VAL 662 -0.130 9.486 -0.299 232 HG13 VAL 662 3HG1 VAL 662 0.262 9.202 -1.995 233 HG21 VAL 662 1HG2 VAL 662 1.621 6.065 -0.799 234 HG22 VAL 662 2HG2 VAL 662 1.507 7.017 -2.279 235 HG23 VAL 662 3HG2 VAL 662 0.402 5.669 -2.010 236 H ILE 663 H ILE 663 -2.736 7.071 0.852 237 HA ILE 663 HA ILE 663 -2.940 9.796 1.741 238 HB ILE 663 HB ILE 663 -4.546 8.346 0.251 239 HG12 ILE 663 2HG1 ILE 663 -5.640 10.324 2.259 240 HG13 ILE 663 1HG1 ILE 663 -4.742 10.767 0.810 241 HG21 ILE 663 1HG2 ILE 663 -4.939 6.815 2.299 242 HG22 ILE 663 2HG2 ILE 663 -6.304 7.257 1.274 243 HG23 ILE 663 3HG2 ILE 663 -6.054 8.080 2.815 244 HD11 ILE 663 1HD1 ILE 663 -6.473 10.236 -0.587 245 HD12 ILE 663 2HD1 ILE 663 -7.351 10.797 0.837 246 HD13 ILE 663 3HD1 ILE 663 -7.168 9.068 0.538 247 H ALA 664 H ALA 664 -3.164 6.610 3.194 248 HA ALA 664 HA ALA 664 -4.110 7.617 5.727 249 HB1 ALA 664 1HB ALA 664 -4.889 5.501 5.537 250 HB2 ALA 664 2HB ALA 664 -3.356 5.119 6.321 251 HB3 ALA 664 3HB ALA 664 -3.515 4.963 4.571 252 H VAL 665 H VAL 665 -1.036 6.905 4.248 253 HA VAL 665 HA VAL 665 0.399 6.929 6.758 254 HB VAL 665 HB VAL 665 1.349 5.470 5.168 255 HG11 VAL 665 1HG1 VAL 665 0.761 5.786 3.036 256 HG12 VAL 665 2HG1 VAL 665 2.164 6.849 2.937 257 HG13 VAL 665 3HG1 VAL 665 0.567 7.524 3.256 258 HG21 VAL 665 1HG2 VAL 665 2.983 7.992 5.030 259 HG22 VAL 665 2HG2 VAL 665 3.571 6.349 4.780 260 HG23 VAL 665 3HG2 VAL 665 2.988 6.846 6.368 261 H ILE 666 H ILE 666 -0.280 9.045 4.067 262 HA ILE 666 HA ILE 666 1.498 11.136 4.923 263 HB ILE 666 HB ILE 666 -0.673 10.961 2.844 264 HG12 ILE 666 2HG1 ILE 666 2.332 11.291 2.639 265 HG13 ILE 666 1HG1 ILE 666 1.438 9.806 2.334 266 HG21 ILE 666 1HG2 ILE 666 0.195 13.212 2.072 267 HG22 ILE 666 2HG2 ILE 666 0.970 13.348 3.650 268 HG23 ILE 666 3HG2 ILE 666 -0.785 13.214 3.539 269 HD11 ILE 666 1HD1 ILE 666 0.195 11.229 0.558 270 HD12 ILE 666 2HD1 ILE 666 1.809 10.609 0.212 271 HD13 ILE 666 3HD1 ILE 666 1.596 12.290 0.696 272 H ALA 667 H ALA 667 -1.905 10.333 5.145 273 HA ALA 667 HA ALA 667 -3.141 12.592 5.941 274 HB1 ALA 667 1HB ALA 667 -4.706 11.027 6.115 275 HB2 ALA 667 2HB ALA 667 -4.113 10.728 7.749 276 HB3 ALA 667 3HB ALA 667 -3.509 9.765 6.399 277 H LEU 668 H LEU 668 -0.830 10.745 7.830 278 HA LEU 668 HA LEU 668 -1.275 12.303 10.215 279 HB2 LEU 668 2HB LEU 668 -0.690 9.938 10.378 280 HB3 LEU 668 1HB LEU 668 0.814 10.239 9.527 281 HG LEU 668 HG LEU 668 1.816 11.230 11.354 282 HD11 LEU 668 1HD1 LEU 668 0.605 12.207 13.246 283 HD12 LEU 668 2HD1 LEU 668 -0.926 11.758 12.493 284 HD13 LEU 668 3HD1 LEU 668 0.123 12.945 11.716 285 HD21 LEU 668 1HD2 LEU 668 1.826 9.517 12.787 286 HD22 LEU 668 2HD2 LEU 668 0.600 8.803 11.738 287 HD23 LEU 668 3HD2 LEU 668 0.115 9.712 13.170 288 H PHE 669 H PHE 669 1.605 11.671 8.202 289 HA PHE 669 HA PHE 669 3.201 13.714 9.187 290 HB2 PHE 669 2HB PHE 669 3.579 11.768 7.373 291 HB3 PHE 669 1HB PHE 669 3.388 13.134 6.278 292 HD1 PHE 669 1HD PHE 669 5.125 14.679 5.952 293 HD2 PHE 669 2HD PHE 669 5.369 11.856 9.127 294 HE1 PHE 669 1HE PHE 669 7.474 15.308 6.325 295 HE2 PHE 669 2HE PHE 669 7.719 12.480 9.506 296 HZ PHE 669 HZ PHE 669 8.774 14.208 8.104 297 H ALA 670 H ALA 670 0.511 13.843 7.036 298 HA ALA 670 HA ALA 670 1.048 16.364 5.855 299 HB1 ALA 670 1HB ALA 670 -1.112 16.224 4.931 300 HB2 ALA 670 2HB ALA 670 -1.680 15.156 6.214 301 HB3 ALA 670 3HB ALA 670 -0.534 14.558 5.012 302 H ILE 671 H ILE 671 -0.254 15.385 8.930 303 HA ILE 671 HA ILE 671 -1.487 17.951 9.442 304 HB ILE 671 HB ILE 671 -0.992 15.713 11.391 305 HG12 ILE 671 2HG1 ILE 671 -3.625 16.224 10.042 306 HG13 ILE 671 1HG1 ILE 671 -2.406 15.231 9.249 307 HG21 ILE 671 1HG2 ILE 671 -2.833 16.748 12.645 308 HG22 ILE 671 2HG2 ILE 671 -2.900 18.042 11.449 309 HG23 ILE 671 3HG2 ILE 671 -1.461 17.838 12.448 310 HD11 ILE 671 1HD1 ILE 671 -4.309 14.335 10.985 311 HD12 ILE 671 2HD1 ILE 671 -2.890 14.480 12.022 312 HD13 ILE 671 3HD1 ILE 671 -2.822 13.486 10.568 313 H ALA 672 H ALA 672 1.359 16.171 10.418 314 HA ALA 672 HA ALA 672 2.340 17.863 12.395 315 HB1 ALA 672 1HB ALA 672 3.841 16.231 10.369 316 HB2 ALA 672 2HB ALA 672 3.235 15.661 11.923 317 HB3 ALA 672 3HB ALA 672 4.514 16.875 11.867 318 H LYS 673 H LYS 673 2.431 18.096 8.926 319 HA LYS 673 HA LYS 673 4.214 20.387 8.991 320 HB2 LYS 673 2HB LYS 673 3.645 20.296 6.419 321 HB3 LYS 673 1HB LYS 673 4.781 19.162 7.133 322 HG2 LYS 673 2HG LYS 673 3.546 17.438 6.499 323 HG3 LYS 673 1HG LYS 673 2.119 18.102 7.292 324 HD2 LYS 673 2HD LYS 673 1.282 18.256 5.220 325 HD3 LYS 673 1HD LYS 673 2.305 19.687 5.083 326 HE2 LYS 673 2HE LYS 673 3.990 18.499 3.946 327 HE3 LYS 673 1HE LYS 673 3.304 16.939 4.395 328 HZ1 LYS 673 1HZ LYS 673 1.280 17.825 3.042 329 HZ2 LYS 673 2HZ LYS 673 2.601 17.136 2.243 330 HZ3 LYS 673 3HZ LYS 673 2.440 18.818 2.313 331 H PHE 674 H PHE 674 0.867 19.735 9.020 332 HA PHE 674 HA PHE 674 0.141 22.339 7.927 333 HB2 PHE 674 2HB PHE 674 -1.101 20.032 7.628 334 HB3 PHE 674 1HB PHE 674 -1.839 20.477 9.162 335 HD1 PHE 674 1HD PHE 674 -2.859 22.882 9.257 336 HD2 PHE 674 2HD PHE 674 -2.065 20.743 5.665 337 HE1 PHE 674 1HE PHE 674 -4.488 24.288 8.065 338 HE2 PHE 674 2HE PHE 674 -3.692 22.147 4.465 339 HZ PHE 674 HZ PHE 674 -4.905 23.922 5.665 340 H VAL 675 H VAL 675 0.308 20.647 10.996 341 HA VAL 675 HA VAL 675 -0.901 22.932 12.372 342 HB VAL 675 HB VAL 675 -0.036 20.275 13.514 343 HG11 VAL 675 1HG1 VAL 675 -1.188 22.731 14.675 344 HG12 VAL 675 2HG1 VAL 675 -0.163 21.499 15.410 345 HG13 VAL 675 3HG1 VAL 675 -1.891 21.207 15.216 346 HG21 VAL 675 1HG2 VAL 675 -1.787 19.770 12.041 347 HG22 VAL 675 2HG2 VAL 675 -2.669 21.242 12.447 348 HG23 VAL 675 3HG2 VAL 675 -2.563 19.926 13.617 349 H PHE 676 H PHE 676 2.152 21.807 11.501 350 HA PHE 676 HA PHE 676 3.386 23.599 13.478 351 HB2 PHE 676 2HB PHE 676 4.727 21.039 12.630 352 HB3 PHE 676 1HB PHE 676 5.146 22.100 13.968 353 HD1 PHE 676 1HD PHE 676 2.344 19.943 12.779 354 HD2 PHE 676 2HD PHE 676 4.503 21.517 16.093 355 HE1 PHE 676 1HE PHE 676 1.022 18.536 14.305 356 HE2 PHE 676 2HE PHE 676 3.182 20.116 17.624 357 HZ PHE 676 HZ PHE 676 1.440 18.621 16.731 Start of MODEL 15 1 H1 GLY 630 1HT GLY 630 10.880 -19.897 5.101 2 H2 GLY 630 2HT GLY 630 11.460 -20.790 3.787 3 H3 GLY 630 3HT GLY 630 9.866 -20.997 4.311 4 HA2 GLY 630 HA2 GLY 630 9.785 -19.680 2.354 5 HA3 GLY 630 HA3 GLY 630 9.403 -18.654 3.729 6 H SER 631 H SER 631 10.006 -16.947 2.163 7 HA SER 631 HA SER 631 12.908 -16.474 2.270 8 HB2 SER 631 2HB SER 631 11.116 -16.484 -0.060 9 HB3 SER 631 1HB SER 631 12.135 -15.050 0.058 10 HG SER 631 HG SER 631 13.644 -16.274 -0.722 11 H ASP 632 H ASP 632 9.754 -14.867 1.767 12 HA ASP 632 HA ASP 632 10.716 -12.705 3.481 13 HB2 ASP 632 2HB ASP 632 10.887 -11.942 1.165 14 HB3 ASP 632 1HB ASP 632 9.177 -12.285 0.934 15 H LYS 633 H LYS 633 7.680 -12.547 1.854 16 HA LYS 633 HA LYS 633 6.175 -12.095 4.134 17 HB2 LYS 633 2HB LYS 633 4.195 -12.654 2.687 18 HB3 LYS 633 1HB LYS 633 5.286 -11.444 2.025 19 HG2 LYS 633 2HG LYS 633 6.357 -13.561 0.861 20 HG3 LYS 633 1HG LYS 633 4.736 -14.211 1.109 21 HD2 LYS 633 2HD LYS 633 4.586 -11.524 0.093 22 HD3 LYS 633 1HD LYS 633 5.608 -12.513 -0.950 23 HE2 LYS 633 2HE LYS 633 3.437 -14.143 -0.371 24 HE3 LYS 633 1HE LYS 633 2.730 -12.544 -0.596 25 HZ1 LYS 633 1HZ LYS 633 2.939 -13.927 -2.652 26 HZ2 LYS 633 2HZ LYS 633 4.618 -13.761 -2.530 27 HZ3 LYS 633 3HZ LYS 633 3.648 -12.394 -2.753 28 H THR 634 H THR 634 6.871 -15.131 2.475 29 HA THR 634 HA THR 634 6.483 -16.654 4.786 30 HB THR 634 HB THR 634 4.447 -17.857 3.279 31 HG1 THR 634 1HG THR 634 3.669 -15.208 3.775 32 HG21 THR 634 1HG2 THR 634 4.708 -17.710 5.792 33 HG22 THR 634 2HG2 THR 634 3.074 -17.549 5.148 34 HG23 THR 634 3HG2 THR 634 3.962 -16.117 5.669 35 H LEU 635 H LEU 635 6.828 -16.470 1.441 36 HA LEU 635 HA LEU 635 8.826 -18.346 1.237 37 HB2 LEU 635 2HB LEU 635 7.233 -20.060 1.748 38 HB3 LEU 635 1HB LEU 635 6.135 -19.469 0.522 39 HG LEU 635 HG LEU 635 7.509 -21.584 0.016 40 HD11 LEU 635 1HD1 LEU 635 7.308 -21.195 -2.235 41 HD12 LEU 635 2HD1 LEU 635 7.872 -19.528 -2.110 42 HD13 LEU 635 3HD1 LEU 635 6.242 -19.950 -1.584 43 HD21 LEU 635 1HD2 LEU 635 9.675 -20.839 0.734 44 HD22 LEU 635 2HD2 LEU 635 9.617 -19.459 -0.364 45 HD23 LEU 635 3HD2 LEU 635 9.721 -21.098 -1.009 46 HA PRO 636 HA PRO 636 7.293 -17.383 -3.254 47 HB2 PRO 636 2HB PRO 636 5.266 -15.473 -3.272 48 HB3 PRO 636 1HB PRO 636 5.054 -17.195 -3.589 49 HG2 PRO 636 2HG PRO 636 4.508 -15.642 -1.120 50 HG3 PRO 636 1HG PRO 636 3.679 -17.070 -1.760 51 HD2 PRO 636 2HD PRO 636 5.400 -17.163 0.337 52 HD3 PRO 636 1HD PRO 636 5.172 -18.522 -0.771 53 H ASP 637 H ASP 637 7.400 -15.285 -0.534 54 HA ASP 637 HA ASP 637 8.119 -13.120 -0.238 55 HB2 ASP 637 2HB ASP 637 10.457 -13.105 -0.316 56 HB3 ASP 637 1HB ASP 637 10.030 -14.804 -0.181 57 H GLN 638 H GLN 638 6.531 -13.199 -2.535 58 HA GLN 638 HA GLN 638 5.985 -12.017 -4.404 59 HB2 GLN 638 2HB GLN 638 7.855 -10.088 -3.034 60 HB3 GLN 638 1HB GLN 638 6.909 -9.665 -4.454 61 HG2 GLN 638 2HG GLN 638 4.853 -10.091 -3.244 62 HG3 GLN 638 1HG GLN 638 5.773 -10.599 -1.828 63 HE21 GLN 638 1HE2 GLN 638 5.135 -9.067 -0.416 64 HE22 GLN 638 2HE2 GLN 638 5.440 -7.377 -0.607 65 H GLY 639 H GLY 639 6.906 -13.447 -5.912 66 HA2 GLY 639 2HA GLY 639 9.126 -12.278 -7.391 67 HA3 GLY 639 1HA GLY 639 9.387 -13.899 -6.764 68 H ASP 640 H ASP 640 6.931 -15.064 -7.150 69 HA ASP 640 HA ASP 640 6.854 -15.218 -10.074 70 HB2 ASP 640 2HB ASP 640 7.062 -17.213 -8.265 71 HB3 ASP 640 1HB ASP 640 5.311 -17.157 -8.449 72 H ASN 641 H ASN 641 4.874 -14.480 -7.292 73 HA ASN 641 HA ASN 641 2.918 -13.203 -8.967 74 HB2 ASN 641 2HB ASN 641 2.404 -15.856 -7.770 75 HB3 ASN 641 1HB ASN 641 1.132 -14.661 -7.535 76 HD21 ASN 641 1HD2 ASN 641 0.641 -13.394 -9.617 77 HD22 ASN 641 2HD2 ASN 641 0.452 -14.354 -11.040 78 H ASP 642 H ASP 642 3.690 -11.416 -7.738 79 HA ASP 642 HA ASP 642 3.061 -11.399 -4.885 80 HB2 ASP 642 2HB ASP 642 4.227 -9.197 -4.900 81 HB3 ASP 642 1HB ASP 642 5.234 -10.521 -5.476 82 H ASN 643 H ASN 643 1.937 -10.133 -7.908 83 HA ASN 643 HA ASN 643 0.397 -7.979 -6.953 84 HB2 ASN 643 2HB ASN 643 -0.720 -8.071 -9.118 85 HB3 ASN 643 1HB ASN 643 1.020 -8.257 -9.306 86 HD21 ASN 643 1HD2 ASN 643 -1.128 -9.054 -11.092 87 HD22 ASN 643 2HD2 ASN 643 -0.957 -10.758 -11.323 88 H TRP 644 H TRP 644 -0.132 -11.383 -6.820 89 HA TRP 644 HA TRP 644 -2.855 -11.668 -6.910 90 HB2 TRP 644 2HB TRP 644 -2.617 -13.609 -5.503 91 HB3 TRP 644 1HB TRP 644 -1.200 -13.507 -6.544 92 HD1 TRP 644 HD TRP 644 0.688 -11.647 -5.021 93 HE1 TRP 644 1HE TRP 644 1.658 -12.273 -2.719 94 HE3 TRP 644 3HE TRP 644 -2.794 -15.100 -3.595 95 HZ2 TRP 644 2HZ TRP 644 1.026 -14.007 -0.581 96 HZ3 TRP 644 3HZ TRP 644 -2.542 -16.196 -1.407 97 HH2 TRP 644 HH TRP 644 -0.671 -15.661 0.067 98 H TRP 645 H TRP 645 -0.969 -10.091 -4.439 99 HA TRP 645 HA TRP 645 -3.433 -9.190 -3.180 100 HB2 TRP 645 2HB TRP 645 -1.870 -11.268 -2.054 101 HB3 TRP 645 1HB TRP 645 -1.613 -9.836 -1.062 102 HD1 TRP 645 HD TRP 645 -3.787 -12.702 -1.195 103 HE1 TRP 645 1HE TRP 645 -6.008 -12.286 0.038 104 HE3 TRP 645 3HE TRP 645 -3.566 -7.607 -0.816 105 HZ2 TRP 645 2HZ TRP 645 -7.472 -10.089 1.038 106 HZ3 TRP 645 3HZ TRP 645 -5.417 -6.426 0.293 107 HH2 TRP 645 HH TRP 645 -7.329 -7.643 1.200 108 H THR 646 H THR 646 -1.232 -7.981 -4.767 109 HA THR 646 HA THR 646 -1.000 -5.572 -3.341 110 HB THR 646 HB THR 646 0.622 -7.028 -2.049 111 HG1 THR 646 1HG THR 646 1.335 -5.127 -1.601 112 HG21 THR 646 1HG2 THR 646 2.940 -6.712 -3.507 113 HG22 THR 646 2HG2 THR 646 1.787 -7.352 -4.679 114 HG23 THR 646 3HG2 THR 646 2.100 -8.228 -3.181 115 H GLY 647 H GLY 647 -1.643 -6.546 -5.994 116 HA2 GLY 647 2HA GLY 647 0.216 -4.829 -7.495 117 HA3 GLY 647 1HA GLY 647 -0.167 -6.429 -8.108 118 H TRP 648 H TRP 648 -2.263 -6.854 -8.896 119 HA TRP 648 HA TRP 648 -3.470 -4.642 -10.205 120 HB2 TRP 648 2HB TRP 648 -5.134 -6.300 -10.997 121 HB3 TRP 648 1HB TRP 648 -3.474 -6.824 -11.257 122 HD1 TRP 648 HD TRP 648 -2.554 -8.788 -9.580 123 HE1 TRP 648 1HE TRP 648 -3.832 -10.684 -8.399 124 HE3 TRP 648 3HE TRP 648 -7.297 -6.914 -9.935 125 HZ2 TRP 648 2HZ TRP 648 -6.498 -11.304 -7.710 126 HZ3 TRP 648 3HZ TRP 648 -9.155 -8.221 -8.990 127 HH2 TRP 648 HH TRP 648 -8.762 -10.371 -7.901 128 H ARG 649 H ARG 649 -4.128 -6.345 -7.237 129 HA ARG 649 HA ARG 649 -6.735 -5.117 -6.912 130 HB2 ARG 649 2HB ARG 649 -5.250 -6.629 -4.779 131 HB3 ARG 649 1HB ARG 649 -6.986 -6.445 -4.986 132 HG2 ARG 649 2HG ARG 649 -7.039 -7.975 -6.773 133 HG3 ARG 649 1HG ARG 649 -5.284 -7.937 -6.955 134 HD2 ARG 649 2HD ARG 649 -5.497 -9.899 -5.817 135 HD3 ARG 649 1HD ARG 649 -5.367 -8.789 -4.454 136 HE ARG 649 HE ARG 649 -7.722 -10.251 -5.306 137 HH11 ARG 649 1HH1 ARG 649 -6.434 -7.690 -3.309 138 HH12 ARG 649 2HH1 ARG 649 -7.786 -7.687 -2.229 139 HH21 ARG 649 1HH2 ARG 649 -9.498 -10.242 -3.886 140 HH22 ARG 649 2HH2 ARG 649 -9.525 -9.133 -2.556 141 H GLN 650 H GLN 650 -3.483 -4.393 -6.264 142 HA GLN 650 HA GLN 650 -3.746 -2.901 -3.902 143 HB2 GLN 650 2HB GLN 650 -1.588 -3.707 -4.787 144 HB3 GLN 650 1HB GLN 650 -1.729 -2.574 -6.124 145 HG2 GLN 650 2HG GLN 650 -1.841 -0.751 -4.353 146 HG3 GLN 650 1HG GLN 650 -1.293 -1.985 -3.219 147 HE21 GLN 650 1HE2 GLN 650 0.510 -0.457 -2.989 148 HE22 GLN 650 2HE2 GLN 650 1.839 -0.583 -4.085 149 H TRP 651 H TRP 651 -4.519 -2.213 -7.196 150 HA TRP 651 HA TRP 651 -5.726 0.280 -6.456 151 HB2 TRP 651 2HB TRP 651 -4.446 1.657 -8.064 152 HB3 TRP 651 1HB TRP 651 -3.446 1.053 -6.748 153 HD1 TRP 651 HD TRP 651 -2.504 -1.691 -7.703 154 HE1 TRP 651 1HE TRP 651 -1.040 -1.977 -9.798 155 HE3 TRP 651 3HE TRP 651 -3.629 2.691 -10.082 156 HZ2 TRP 651 2HZ TRP 651 -0.440 -0.536 -12.151 157 HZ3 TRP 651 3HZ TRP 651 -2.566 3.162 -12.251 158 HH2 TRP 651 HH TRP 651 -1.005 1.581 -13.262 159 H ILE 652 H ILE 652 -7.141 -1.731 -7.305 160 HA ILE 652 HA ILE 652 -7.348 -1.793 -10.182 161 HB ILE 652 HB ILE 652 -7.784 -3.811 -8.783 162 HG12 ILE 652 2HG1 ILE 652 -9.885 -4.462 -10.058 163 HG13 ILE 652 1HG1 ILE 652 -9.907 -2.813 -10.676 164 HG21 ILE 652 1HG2 ILE 652 -10.197 -3.945 -7.912 165 HG22 ILE 652 2HG2 ILE 652 -10.139 -2.183 -7.908 166 HG23 ILE 652 3HG2 ILE 652 -8.996 -3.106 -6.932 167 HD11 ILE 652 1HD1 ILE 652 -8.268 -5.084 -11.455 168 HD12 ILE 652 2HD1 ILE 652 -7.341 -3.607 -11.194 169 HD13 ILE 652 3HD1 ILE 652 -8.677 -3.617 -12.344 170 HA PRO 653 HA PRO 653 -11.214 0.810 -9.333 171 HB2 PRO 653 2HB PRO 653 -11.725 1.782 -6.919 172 HB3 PRO 653 1HB PRO 653 -11.985 0.067 -7.265 173 HG2 PRO 653 2HG PRO 653 -9.820 1.380 -5.718 174 HG3 PRO 653 1HG PRO 653 -10.540 -0.224 -5.504 175 HD2 PRO 653 2HD PRO 653 -8.118 0.431 -6.865 176 HD3 PRO 653 1HD PRO 653 -8.899 -1.155 -6.753 177 H ALA 654 H ALA 654 -8.110 1.775 -8.387 178 HA ALA 654 HA ALA 654 -6.956 3.711 -8.765 179 HB1 ALA 654 1HB ALA 654 -9.494 5.100 -9.569 180 HB2 ALA 654 2HB ALA 654 -8.651 4.005 -10.664 181 HB3 ALA 654 3HB ALA 654 -7.837 5.449 -10.062 182 H GLY 655 H GLY 655 -6.552 3.878 -6.570 183 HA2 GLY 655 2HA GLY 655 -6.429 5.566 -4.861 184 HA3 GLY 655 1HA GLY 655 -8.101 5.978 -5.206 185 H ILE 656 H ILE 656 -6.505 2.871 -4.553 186 HA ILE 656 HA ILE 656 -8.423 2.449 -2.352 187 HB ILE 656 HB ILE 656 -8.668 0.918 -4.279 188 HG12 ILE 656 2HG1 ILE 656 -8.659 -1.181 -2.962 189 HG13 ILE 656 1HG1 ILE 656 -7.708 -0.375 -1.718 190 HG21 ILE 656 1HG2 ILE 656 -6.117 0.974 -4.651 191 HG22 ILE 656 2HG2 ILE 656 -7.004 -0.511 -5.003 192 HG23 ILE 656 3HG2 ILE 656 -6.089 -0.361 -3.501 193 HD11 ILE 656 1HD1 ILE 656 -10.422 -0.586 -1.747 194 HD12 ILE 656 2HD1 ILE 656 -10.170 1.030 -2.407 195 HD13 ILE 656 3HD1 ILE 656 -9.502 0.607 -0.831 196 H GLY 657 H GLY 657 -5.061 1.973 -3.389 197 HA2 GLY 657 2HA GLY 657 -4.320 1.750 -0.542 198 HA3 GLY 657 1HA GLY 657 -3.637 0.657 -1.737 199 H VAL 658 H VAL 658 -2.820 2.021 -3.759 200 HA VAL 658 HA VAL 658 -0.557 3.432 -2.875 201 HB VAL 658 HB VAL 658 -0.971 2.234 -5.127 202 HG11 VAL 658 1HG1 VAL 658 -1.954 4.981 -5.885 203 HG12 VAL 658 2HG1 VAL 658 -2.961 3.539 -5.754 204 HG13 VAL 658 3HG1 VAL 658 -1.690 3.618 -6.974 205 HG21 VAL 658 1HG2 VAL 658 0.965 3.134 -5.856 206 HG22 VAL 658 2HG2 VAL 658 0.943 3.939 -4.287 207 HG23 VAL 658 3HG2 VAL 658 0.370 4.788 -5.722 208 H THR 659 H THR 659 -3.701 4.453 -4.029 209 HA THR 659 HA THR 659 -3.060 7.211 -3.227 210 HB THR 659 HB THR 659 -4.816 6.231 -5.481 211 HG1 THR 659 1HG THR 659 -3.406 7.576 -6.688 212 HG21 THR 659 1HG2 THR 659 -4.479 9.095 -4.637 213 HG22 THR 659 2HG2 THR 659 -5.905 8.121 -4.280 214 HG23 THR 659 3HG2 THR 659 -5.470 8.469 -5.954 215 H GLY 660 H GLY 660 -5.077 4.470 -2.813 216 HA2 GLY 660 2HA GLY 660 -7.298 5.905 -1.657 217 HA3 GLY 660 1HA GLY 660 -7.087 4.161 -1.717 218 H VAL 661 H VAL 661 -4.891 3.615 -0.383 219 HA VAL 661 HA VAL 661 -5.587 4.263 2.344 220 HB VAL 661 HB VAL 661 -3.437 2.454 1.229 221 HG11 VAL 661 1HG1 VAL 661 -3.663 1.567 3.705 222 HG12 VAL 661 2HG1 VAL 661 -4.137 3.237 4.013 223 HG13 VAL 661 3HG1 VAL 661 -2.563 2.885 3.300 224 HG21 VAL 661 1HG2 VAL 661 -6.215 2.110 1.439 225 HG22 VAL 661 2HG2 VAL 661 -5.505 1.152 2.738 226 HG23 VAL 661 3HG2 VAL 661 -5.003 0.883 1.070 227 H VAL 662 H VAL 662 -2.550 4.320 0.499 228 HA VAL 662 HA VAL 662 -0.886 5.623 2.176 229 HB VAL 662 HB VAL 662 -1.184 5.894 -0.799 230 HG11 VAL 662 1HG1 VAL 662 1.026 7.015 0.931 231 HG12 VAL 662 2HG1 VAL 662 -0.112 7.941 -0.047 232 HG13 VAL 662 3HG1 VAL 662 1.080 6.900 -0.828 233 HG21 VAL 662 1HG2 VAL 662 1.154 4.632 0.520 234 HG22 VAL 662 2HG2 VAL 662 0.323 4.200 -0.975 235 HG23 VAL 662 3HG2 VAL 662 -0.386 3.774 0.583 236 H ILE 663 H ILE 663 -3.515 7.040 0.378 237 HA ILE 663 HA ILE 663 -2.761 9.749 0.900 238 HB ILE 663 HB ILE 663 -4.286 8.686 -0.961 239 HG12 ILE 663 2HG1 ILE 663 -5.481 11.038 -1.020 240 HG13 ILE 663 1HG1 ILE 663 -4.371 11.396 0.299 241 HG21 ILE 663 1HG2 ILE 663 -6.602 8.788 -0.623 242 HG22 ILE 663 2HG2 ILE 663 -6.430 9.678 0.890 243 HG23 ILE 663 3HG2 ILE 663 -5.971 7.978 0.811 244 HD11 ILE 663 1HD1 ILE 663 -3.125 12.097 -1.463 245 HD12 ILE 663 2HD1 ILE 663 -3.820 10.914 -2.571 246 HD13 ILE 663 3HD1 ILE 663 -2.605 10.413 -1.395 247 H ALA 664 H ALA 664 -4.931 7.409 2.375 248 HA ALA 664 HA ALA 664 -6.000 9.313 4.261 249 HB1 ALA 664 1HB ALA 664 -6.787 6.952 5.261 250 HB2 ALA 664 2HB ALA 664 -6.464 6.474 3.594 251 HB3 ALA 664 3HB ALA 664 -7.616 7.765 3.933 252 H VAL 665 H VAL 665 -3.338 7.099 4.110 253 HA VAL 665 HA VAL 665 -2.950 7.031 6.982 254 HB VAL 665 HB VAL 665 -1.159 5.556 6.619 255 HG11 VAL 665 1HG1 VAL 665 -2.558 4.686 4.185 256 HG12 VAL 665 2HG1 VAL 665 -3.593 4.987 5.582 257 HG13 VAL 665 3HG1 VAL 665 -2.268 3.830 5.700 258 HG21 VAL 665 1HG2 VAL 665 -0.151 5.203 4.345 259 HG22 VAL 665 2HG2 VAL 665 0.185 6.773 5.076 260 HG23 VAL 665 3HG2 VAL 665 -1.033 6.632 3.809 261 H ILE 666 H ILE 666 -1.490 8.508 4.150 262 HA ILE 666 HA ILE 666 0.618 9.827 5.524 263 HB ILE 666 HB ILE 666 -0.652 10.191 2.820 264 HG12 ILE 666 2HG1 ILE 666 2.065 9.181 3.700 265 HG13 ILE 666 1HG1 ILE 666 0.730 8.188 3.128 266 HG21 ILE 666 1HG2 ILE 666 1.581 11.781 4.064 267 HG22 ILE 666 2HG2 ILE 666 0.081 12.376 3.352 268 HG23 ILE 666 3HG2 ILE 666 1.331 11.680 2.321 269 HD11 ILE 666 1HD1 ILE 666 2.332 8.449 1.370 270 HD12 ILE 666 2HD1 ILE 666 2.296 10.204 1.539 271 HD13 ILE 666 3HD1 ILE 666 0.874 9.345 0.946 272 H ALA 667 H ALA 667 -2.657 10.661 4.582 273 HA ALA 667 HA ALA 667 -2.829 13.336 4.818 274 HB1 ALA 667 1HB ALA 667 -4.947 12.141 6.379 275 HB2 ALA 667 2HB ALA 667 -4.611 11.215 4.915 276 HB3 ALA 667 3HB ALA 667 -5.013 12.928 4.801 277 H LEU 668 H LEU 668 -2.360 11.075 7.467 278 HA LEU 668 HA LEU 668 -2.578 13.126 9.484 279 HB2 LEU 668 2HB LEU 668 -3.362 10.903 9.999 280 HB3 LEU 668 1HB LEU 668 -1.802 10.216 9.584 281 HG LEU 668 HG LEU 668 -0.800 10.960 11.544 282 HD11 LEU 668 1HD1 LEU 668 -1.677 12.702 12.984 283 HD12 LEU 668 2HD1 LEU 668 -3.103 12.861 11.957 284 HD13 LEU 668 3HD1 LEU 668 -1.515 13.305 11.332 285 HD21 LEU 668 1HD2 LEU 668 -3.390 10.727 12.881 286 HD22 LEU 668 2HD2 LEU 668 -1.941 9.733 13.028 287 HD23 LEU 668 3HD2 LEU 668 -3.069 9.456 11.700 288 H PHE 669 H PHE 669 -0.008 10.810 8.608 289 HA PHE 669 HA PHE 669 2.072 12.003 9.987 290 HB2 PHE 669 2HB PHE 669 1.779 9.898 8.133 291 HB3 PHE 669 1HB PHE 669 3.040 10.943 7.485 292 HD1 PHE 669 1HD PHE 669 4.877 11.670 9.205 293 HD2 PHE 669 2HD PHE 669 2.343 8.282 9.666 294 HE1 PHE 669 1HE PHE 669 6.501 10.671 10.761 295 HE2 PHE 669 2HE PHE 669 3.962 7.278 11.223 296 HZ PHE 669 HZ PHE 669 6.044 8.473 11.773 297 H ALA 670 H ALA 670 0.549 12.972 7.048 298 HA ALA 670 HA ALA 670 2.631 14.650 6.082 299 HB1 ALA 670 1HB ALA 670 1.124 15.327 4.423 300 HB2 ALA 670 2HB ALA 670 -0.281 14.983 5.432 301 HB3 ALA 670 3HB ALA 670 0.675 13.655 4.769 302 H ILE 671 H ILE 671 0.128 15.016 8.474 303 HA ILE 671 HA ILE 671 0.301 17.906 8.475 304 HB ILE 671 HB ILE 671 -1.096 16.135 10.468 305 HG12 ILE 671 2HG1 ILE 671 -2.539 17.568 8.276 306 HG13 ILE 671 1HG1 ILE 671 -1.746 16.041 7.907 307 HG21 ILE 671 1HG2 ILE 671 -0.892 18.254 11.413 308 HG22 ILE 671 2HG2 ILE 671 -2.502 18.262 10.693 309 HG23 ILE 671 3HG2 ILE 671 -1.165 19.068 9.873 310 HD11 ILE 671 1HD1 ILE 671 -3.956 16.543 9.875 311 HD12 ILE 671 2HD1 ILE 671 -3.041 15.037 9.809 312 HD13 ILE 671 3HD1 ILE 671 -3.996 15.549 8.418 313 H ALA 672 H ALA 672 1.387 15.199 10.384 314 HA ALA 672 HA ALA 672 2.377 16.535 12.620 315 HB1 ALA 672 1HB ALA 672 3.812 14.567 12.889 316 HB2 ALA 672 2HB ALA 672 3.409 14.072 11.243 317 HB3 ALA 672 3HB ALA 672 2.153 14.128 12.479 318 H LYS 673 H LYS 673 3.676 16.098 9.422 319 HA LYS 673 HA LYS 673 6.228 17.269 10.155 320 HB2 LYS 673 2HB LYS 673 6.553 17.013 7.556 321 HB3 LYS 673 1HB LYS 673 6.671 15.620 8.620 322 HG2 LYS 673 2HG LYS 673 4.997 14.600 7.587 323 HG3 LYS 673 1HG LYS 673 3.950 16.009 7.754 324 HD2 LYS 673 2HD LYS 673 4.084 15.861 5.472 325 HD3 LYS 673 1HD LYS 673 5.434 16.948 5.805 326 HE2 LYS 673 2HE LYS 673 6.259 14.188 5.969 327 HE3 LYS 673 1HE LYS 673 5.512 14.531 4.410 328 HZ1 LYS 673 1HZ LYS 673 7.885 15.809 5.625 329 HZ2 LYS 673 2HZ LYS 673 7.037 16.541 4.357 330 HZ3 LYS 673 3HZ LYS 673 7.759 15.029 4.129 331 H PHE 674 H PHE 674 3.194 18.258 8.965 332 HA PHE 674 HA PHE 674 4.214 20.658 7.682 333 HB2 PHE 674 2HB PHE 674 1.934 19.112 7.343 334 HB3 PHE 674 1HB PHE 674 1.338 20.566 8.132 335 HD1 PHE 674 1HD PHE 674 2.268 22.816 7.104 336 HD2 PHE 674 2HD PHE 674 2.076 19.093 5.053 337 HE1 PHE 674 1HE PHE 674 2.311 24.005 4.950 338 HE2 PHE 674 2HE PHE 674 2.121 20.274 2.895 339 HZ PHE 674 HZ PHE 674 2.239 22.734 2.842 340 H VAL 675 H VAL 675 2.592 19.682 10.647 341 HA VAL 675 HA VAL 675 2.441 22.474 11.519 342 HB VAL 675 HB VAL 675 1.401 20.011 12.919 343 HG11 VAL 675 1HG1 VAL 675 -0.093 22.051 13.835 344 HG12 VAL 675 2HG1 VAL 675 1.434 22.889 13.559 345 HG13 VAL 675 3HG1 VAL 675 1.378 21.488 14.629 346 HG21 VAL 675 1HG2 VAL 675 0.021 21.962 11.086 347 HG22 VAL 675 2HG2 VAL 675 -0.822 20.805 12.116 348 HG23 VAL 675 3HG2 VAL 675 0.245 20.230 10.835 349 H PHE 676 H PHE 676 4.443 19.741 11.835 350 HA PHE 676 HA PHE 676 5.859 21.053 14.057 351 HB2 PHE 676 2HB PHE 676 5.803 18.057 13.795 352 HB3 PHE 676 1HB PHE 676 6.264 19.030 15.183 353 HD1 PHE 676 1HD PHE 676 3.290 18.340 13.037 354 HD2 PHE 676 2HD PHE 676 4.782 19.236 16.921 355 HE1 PHE 676 1HE PHE 676 1.024 18.085 13.962 356 HE2 PHE 676 2HE PHE 676 2.519 18.986 17.853 357 HZ PHE 676 HZ PHE 676 0.637 18.409 16.373 Start of MODEL 16 1 H1 GLY 630 1HT GLY 630 9.039 -22.492 3.443 2 H2 GLY 630 2HT GLY 630 7.417 -22.922 3.230 3 H3 GLY 630 3HT GLY 630 7.828 -21.677 4.298 4 HA2 GLY 630 HA2 GLY 630 7.521 -21.625 1.423 5 HA3 GLY 630 HA3 GLY 630 7.295 -20.338 2.597 6 H SER 631 H SER 631 8.425 -18.803 1.426 7 HA SER 631 HA SER 631 11.336 -19.190 1.420 8 HB2 SER 631 2HB SER 631 10.725 -17.474 -0.748 9 HB3 SER 631 1HB SER 631 11.420 -19.093 -0.812 10 HG SER 631 HG SER 631 8.636 -18.572 -0.668 11 H ASP 632 H ASP 632 8.659 -16.856 1.266 12 HA ASP 632 HA ASP 632 10.265 -15.062 2.907 13 HB2 ASP 632 2HB ASP 632 10.525 -14.270 0.613 14 HB3 ASP 632 1HB ASP 632 8.778 -14.162 0.456 15 H LYS 633 H LYS 633 7.405 -13.764 1.582 16 HA LYS 633 HA LYS 633 6.158 -13.125 3.913 17 HB2 LYS 633 2HB LYS 633 4.010 -13.144 2.559 18 HB3 LYS 633 1HB LYS 633 5.328 -12.175 1.916 19 HG2 LYS 633 2HG LYS 633 5.879 -13.967 0.346 20 HG3 LYS 633 1HG LYS 633 4.549 -14.932 0.988 21 HD2 LYS 633 2HD LYS 633 3.735 -13.908 -0.986 22 HD3 LYS 633 1HD LYS 633 3.023 -13.018 0.362 23 HE2 LYS 633 2HE LYS 633 4.852 -11.339 0.123 24 HE3 LYS 633 1HE LYS 633 5.378 -12.190 -1.329 25 HZ1 LYS 633 1HZ LYS 633 2.574 -11.368 -1.161 26 HZ2 LYS 633 2HZ LYS 633 3.588 -11.475 -2.510 27 HZ3 LYS 633 3HZ LYS 633 3.732 -10.167 -1.447 28 H THR 634 H THR 634 5.736 -16.125 2.071 29 HA THR 634 HA THR 634 5.129 -17.602 4.398 30 HB THR 634 HB THR 634 2.779 -17.927 2.730 31 HG1 THR 634 1HG THR 634 2.290 -15.916 2.506 32 HG21 THR 634 1HG2 THR 634 2.790 -17.029 5.580 33 HG22 THR 634 2HG2 THR 634 3.169 -18.695 5.140 34 HG23 THR 634 3HG2 THR 634 1.600 -18.007 4.722 35 H LEU 635 H LEU 635 5.370 -17.368 1.052 36 HA LEU 635 HA LEU 635 6.811 -19.654 0.640 37 HB2 LEU 635 2HB LEU 635 5.032 -21.071 1.199 38 HB3 LEU 635 1HB LEU 635 3.862 -20.087 0.351 39 HG LEU 635 HG LEU 635 4.447 -22.327 -0.693 40 HD11 LEU 635 1HD1 LEU 635 3.576 -20.058 -1.812 41 HD12 LEU 635 2HD1 LEU 635 3.847 -21.542 -2.724 42 HD13 LEU 635 3HD1 LEU 635 5.071 -20.272 -2.721 43 HD21 LEU 635 1HD2 LEU 635 6.738 -22.566 -0.557 44 HD22 LEU 635 2HD2 LEU 635 7.051 -20.891 -1.012 45 HD23 LEU 635 3HD2 LEU 635 6.527 -22.053 -2.230 46 HA PRO 636 HA PRO 636 5.052 -18.069 -3.639 47 HB2 PRO 636 2HB PRO 636 3.822 -15.543 -2.709 48 HB3 PRO 636 1HB PRO 636 3.252 -16.689 -3.925 49 HG2 PRO 636 2HG PRO 636 2.095 -16.479 -1.506 50 HG3 PRO 636 1HG PRO 636 2.199 -18.019 -2.376 51 HD2 PRO 636 2HD PRO 636 3.771 -17.046 -0.044 52 HD3 PRO 636 1HD PRO 636 3.256 -18.691 -0.455 53 H ASP 637 H ASP 637 6.132 -16.241 -0.916 54 HA ASP 637 HA ASP 637 7.528 -14.417 -0.710 55 HB2 ASP 637 2HB ASP 637 9.756 -15.143 -0.980 56 HB3 ASP 637 1HB ASP 637 8.814 -16.594 -0.669 57 H GLN 638 H GLN 638 5.871 -13.889 -2.824 58 HA GLN 638 HA GLN 638 5.636 -12.709 -4.773 59 HB2 GLN 638 2HB GLN 638 6.975 -10.607 -4.772 60 HB3 GLN 638 1HB GLN 638 6.169 -10.940 -3.246 61 HG2 GLN 638 2HG GLN 638 8.212 -11.661 -2.244 62 HG3 GLN 638 1HG GLN 638 9.057 -11.576 -3.788 63 HE21 GLN 638 1HE2 GLN 638 10.361 -10.266 -2.064 64 HE22 GLN 638 2HE2 GLN 638 10.078 -8.562 -2.097 65 H GLY 639 H GLY 639 6.487 -14.703 -5.910 66 HA2 GLY 639 2HA GLY 639 8.860 -13.924 -7.483 67 HA3 GLY 639 1HA GLY 639 8.673 -15.568 -6.891 68 H ASP 640 H ASP 640 6.234 -16.338 -7.432 69 HA ASP 640 HA ASP 640 6.141 -16.287 -10.339 70 HB2 ASP 640 2HB ASP 640 5.149 -18.085 -8.207 71 HB3 ASP 640 1HB ASP 640 4.135 -17.969 -9.642 72 H ASN 641 H ASN 641 4.341 -15.133 -7.593 73 HA ASN 641 HA ASN 641 2.749 -13.441 -9.285 74 HB2 ASN 641 2HB ASN 641 1.672 -15.926 -8.768 75 HB3 ASN 641 1HB ASN 641 0.953 -14.927 -7.508 76 HD21 ASN 641 1HD2 ASN 641 1.839 -14.285 -10.881 77 HD22 ASN 641 2HD2 ASN 641 0.269 -13.756 -11.371 78 H ASP 642 H ASP 642 3.611 -11.731 -8.153 79 HA ASP 642 HA ASP 642 3.110 -11.625 -5.263 80 HB2 ASP 642 2HB ASP 642 4.713 -9.777 -5.220 81 HB3 ASP 642 1HB ASP 642 5.421 -11.190 -5.994 82 H ASN 643 H ASN 643 2.482 -9.954 -8.287 83 HA ASN 643 HA ASN 643 1.310 -7.622 -7.373 84 HB2 ASN 643 2HB ASN 643 0.379 -9.192 -9.778 85 HB3 ASN 643 1HB ASN 643 0.263 -7.453 -9.527 86 HD21 ASN 643 1HD2 ASN 643 1.617 -6.421 -10.788 87 HD22 ASN 643 2HD2 ASN 643 3.234 -6.900 -11.162 88 H TRP 644 H TRP 644 0.092 -10.855 -7.223 89 HA TRP 644 HA TRP 644 -2.632 -10.554 -7.233 90 HB2 TRP 644 2HB TRP 644 -2.780 -12.553 -5.963 91 HB3 TRP 644 1HB TRP 644 -1.303 -12.692 -6.910 92 HD1 TRP 644 HD TRP 644 1.006 -11.874 -5.419 93 HE1 TRP 644 1HE TRP 644 1.587 -12.543 -3.003 94 HE3 TRP 644 3HE TRP 644 -3.651 -13.236 -3.817 95 HZ2 TRP 644 2HZ TRP 644 0.245 -13.522 -0.719 96 HZ3 TRP 644 3HZ TRP 644 -3.918 -14.029 -1.503 97 HH2 TRP 644 HH TRP 644 -2.009 -14.168 0.012 98 H TRP 645 H TRP 645 -0.376 -9.462 -4.821 99 HA TRP 645 HA TRP 645 -2.524 -8.029 -3.487 100 HB2 TRP 645 2HB TRP 645 -1.874 -10.413 -2.417 101 HB3 TRP 645 1HB TRP 645 -0.673 -9.400 -1.621 102 HD1 TRP 645 HD TRP 645 -4.473 -9.887 -1.878 103 HE1 TRP 645 1HE TRP 645 -5.577 -8.761 0.157 104 HE3 TRP 645 3HE TRP 645 -0.357 -7.604 0.119 105 HZ2 TRP 645 2HZ TRP 645 -4.805 -7.122 2.321 106 HZ3 TRP 645 3HZ TRP 645 -0.626 -6.275 2.173 107 HH2 TRP 645 HH TRP 645 -2.804 -6.040 3.249 108 H THR 646 H THR 646 -0.035 -7.486 -5.108 109 HA THR 646 HA THR 646 0.859 -5.256 -3.540 110 HB THR 646 HB THR 646 2.245 -7.207 -2.712 111 HG1 THR 646 1HG THR 646 3.637 -5.720 -2.279 112 HG21 THR 646 1HG2 THR 646 4.236 -7.125 -4.725 113 HG22 THR 646 2HG2 THR 646 2.714 -7.613 -5.470 114 HG23 THR 646 3HG2 THR 646 3.353 -8.517 -4.097 115 H GLY 647 H GLY 647 -0.370 -5.870 -6.168 116 HA2 GLY 647 2HA GLY 647 1.380 -4.148 -7.743 117 HA3 GLY 647 1HA GLY 647 1.021 -5.729 -8.421 118 H TRP 648 H TRP 648 -1.160 -6.229 -8.982 119 HA TRP 648 HA TRP 648 -2.572 -3.948 -10.019 120 HB2 TRP 648 2HB TRP 648 -4.078 -5.606 -11.022 121 HB3 TRP 648 1HB TRP 648 -2.392 -6.007 -11.337 122 HD1 TRP 648 HD TRP 648 -1.447 -8.248 -10.295 123 HE1 TRP 648 1HE TRP 648 -2.580 -10.273 -9.184 124 HE3 TRP 648 3HE TRP 648 -6.081 -6.243 -9.485 125 HZ2 TRP 648 2HZ TRP 648 -5.105 -10.934 -8.105 126 HZ3 TRP 648 3HZ TRP 648 -7.798 -7.639 -8.409 127 HH2 TRP 648 HH TRP 648 -7.318 -9.936 -7.734 128 H ARG 649 H ARG 649 -2.758 -5.899 -7.198 129 HA ARG 649 HA ARG 649 -5.508 -5.242 -6.618 130 HB2 ARG 649 2HB ARG 649 -4.153 -7.415 -5.994 131 HB3 ARG 649 1HB ARG 649 -3.663 -6.451 -4.607 132 HG2 ARG 649 2HG ARG 649 -6.231 -6.027 -4.370 133 HG3 ARG 649 1HG ARG 649 -6.353 -7.501 -5.333 134 HD2 ARG 649 2HD ARG 649 -4.593 -8.370 -3.560 135 HD3 ARG 649 1HD ARG 649 -5.323 -7.107 -2.570 136 HE ARG 649 HE ARG 649 -7.099 -8.493 -2.279 137 HH11 ARG 649 1HH1 ARG 649 -5.552 -9.352 -5.287 138 HH12 ARG 649 2HH1 ARG 649 -6.622 -10.676 -5.604 139 HH21 ARG 649 1HH2 ARG 649 -8.507 -10.234 -2.693 140 HH22 ARG 649 2HH2 ARG 649 -8.300 -11.177 -4.132 141 H GLN 650 H GLN 650 -2.433 -3.894 -6.188 142 HA GLN 650 HA GLN 650 -2.880 -2.545 -3.739 143 HB2 GLN 650 2HB GLN 650 -0.783 -2.702 -5.749 144 HB3 GLN 650 1HB GLN 650 -0.964 -1.077 -5.101 145 HG2 GLN 650 2HG GLN 650 -1.013 -3.033 -2.989 146 HG3 GLN 650 1HG GLN 650 0.437 -3.204 -3.977 147 HE21 GLN 650 1HE2 GLN 650 -0.661 -1.829 -1.280 148 HE22 GLN 650 2HE2 GLN 650 0.339 -0.422 -1.206 149 H TRP 651 H TRP 651 -3.970 -2.004 -6.923 150 HA TRP 651 HA TRP 651 -5.356 0.374 -6.131 151 HB2 TRP 651 2HB TRP 651 -4.362 1.754 -8.023 152 HB3 TRP 651 1HB TRP 651 -3.334 1.511 -6.614 153 HD1 TRP 651 HD TRP 651 -1.691 -0.895 -7.016 154 HE1 TRP 651 1HE TRP 651 -0.205 -1.327 -9.073 155 HE3 TRP 651 3HE TRP 651 -3.960 2.265 -10.336 156 HZ2 TRP 651 2HZ TRP 651 -0.019 -0.445 -11.748 157 HZ3 TRP 651 3HZ TRP 651 -3.065 2.411 -12.623 158 HH2 TRP 651 HH TRP 651 -1.135 1.084 -13.313 159 H ILE 652 H ILE 652 -6.564 -1.848 -6.853 160 HA ILE 652 HA ILE 652 -6.979 -2.153 -9.659 161 HB ILE 652 HB ILE 652 -9.173 -2.982 -7.841 162 HG12 ILE 652 2HG1 ILE 652 -7.375 -5.091 -7.631 163 HG13 ILE 652 1HG1 ILE 652 -6.389 -3.669 -7.319 164 HG21 ILE 652 1HG2 ILE 652 -9.533 -4.571 -9.396 165 HG22 ILE 652 2HG2 ILE 652 -7.814 -4.860 -9.663 166 HG23 ILE 652 3HG2 ILE 652 -8.602 -3.471 -10.412 167 HD11 ILE 652 1HD1 ILE 652 -7.526 -4.843 -5.346 168 HD12 ILE 652 2HD1 ILE 652 -8.997 -4.056 -5.917 169 HD13 ILE 652 3HD1 ILE 652 -7.605 -3.084 -5.438 170 HA PRO 653 HA PRO 653 -10.814 0.540 -9.049 171 HB2 PRO 653 2HB PRO 653 -11.585 1.195 -6.504 172 HB3 PRO 653 1HB PRO 653 -12.035 -0.306 -7.314 173 HG2 PRO 653 2HG PRO 653 -10.284 0.058 -5.047 174 HG3 PRO 653 1HG PRO 653 -10.831 -1.454 -5.783 175 HD2 PRO 653 2HD PRO 653 -8.294 -0.006 -6.140 176 HD3 PRO 653 1HD PRO 653 -8.679 -1.707 -6.468 177 H ALA 654 H ALA 654 -9.735 1.907 -5.983 178 HA ALA 654 HA ALA 654 -8.009 3.886 -6.769 179 HB1 ALA 654 1HB ALA 654 -10.871 4.635 -7.250 180 HB2 ALA 654 2HB ALA 654 -9.465 4.887 -8.284 181 HB3 ALA 654 3HB ALA 654 -9.674 5.859 -6.828 182 H GLY 655 H GLY 655 -7.152 3.953 -4.781 183 HA2 GLY 655 2HA GLY 655 -7.140 5.114 -2.680 184 HA3 GLY 655 1HA GLY 655 -8.882 4.912 -2.603 185 H ILE 656 H ILE 656 -6.573 2.387 -3.429 186 HA ILE 656 HA ILE 656 -7.350 0.979 -0.958 187 HB ILE 656 HB ILE 656 -8.110 -0.068 -3.086 188 HG12 ILE 656 2HG1 ILE 656 -6.395 -2.211 -2.359 189 HG13 ILE 656 1HG1 ILE 656 -6.704 -1.283 -0.895 190 HG21 ILE 656 1HG2 ILE 656 -5.881 0.690 -4.198 191 HG22 ILE 656 2HG2 ILE 656 -6.680 -0.792 -4.726 192 HG23 ILE 656 3HG2 ILE 656 -5.299 -0.875 -3.632 193 HD11 ILE 656 1HD1 ILE 656 -8.942 -1.761 -0.904 194 HD12 ILE 656 2HD1 ILE 656 -8.275 -3.241 -1.593 195 HD13 ILE 656 3HD1 ILE 656 -8.992 -2.022 -2.648 196 H GLY 657 H GLY 657 -4.672 1.673 -3.174 197 HA2 GLY 657 2HA GLY 657 -2.813 1.116 -0.965 198 HA3 GLY 657 1HA GLY 657 -2.520 0.399 -2.544 199 H VAL 658 H VAL 658 -2.870 2.217 -4.346 200 HA VAL 658 HA VAL 658 -0.692 3.994 -4.055 201 HB VAL 658 HB VAL 658 -1.697 3.031 -6.214 202 HG11 VAL 658 1HG1 VAL 658 -3.433 5.483 -6.084 203 HG12 VAL 658 2HG1 VAL 658 -4.009 3.861 -5.703 204 HG13 VAL 658 3HG1 VAL 658 -3.418 4.229 -7.323 205 HG21 VAL 658 1HG2 VAL 658 -0.530 5.686 -5.728 206 HG22 VAL 658 2HG2 VAL 658 -1.275 5.469 -7.312 207 HG23 VAL 658 3HG2 VAL 658 0.011 4.382 -6.786 208 H THR 659 H THR 659 -4.165 4.332 -3.789 209 HA THR 659 HA THR 659 -3.803 7.058 -2.737 210 HB THR 659 HB THR 659 -6.124 5.822 -4.226 211 HG1 THR 659 1HG THR 659 -4.166 7.039 -5.177 212 HG21 THR 659 1HG2 THR 659 -6.988 7.156 -2.328 213 HG22 THR 659 2HG2 THR 659 -7.399 7.820 -3.909 214 HG23 THR 659 3HG2 THR 659 -6.106 8.548 -2.956 215 H GLY 660 H GLY 660 -4.765 3.845 -2.082 216 HA2 GLY 660 2HA GLY 660 -6.510 4.476 0.125 217 HA3 GLY 660 1HA GLY 660 -5.949 2.878 -0.353 218 H VAL 661 H VAL 661 -3.221 3.190 -0.237 219 HA VAL 661 HA VAL 661 -2.786 3.187 2.625 220 HB VAL 661 HB VAL 661 -0.875 2.621 0.349 221 HG11 VAL 661 1HG1 VAL 661 -0.490 2.804 3.277 222 HG12 VAL 661 2HG1 VAL 661 0.646 3.100 1.962 223 HG13 VAL 661 3HG1 VAL 661 0.280 1.447 2.456 224 HG21 VAL 661 1HG2 VAL 661 -1.750 0.519 2.238 225 HG22 VAL 661 2HG2 VAL 661 -1.405 0.422 0.511 226 HG23 VAL 661 3HG2 VAL 661 -2.942 1.083 1.067 227 H VAL 662 H VAL 662 -1.156 4.717 -0.127 228 HA VAL 662 HA VAL 662 0.510 6.471 1.061 229 HB VAL 662 HB VAL 662 -1.232 6.907 -1.353 230 HG11 VAL 662 1HG1 VAL 662 0.285 8.715 -2.000 231 HG12 VAL 662 2HG1 VAL 662 1.158 8.537 -0.478 232 HG13 VAL 662 3HG1 VAL 662 -0.518 9.085 -0.474 233 HG21 VAL 662 1HG2 VAL 662 1.570 5.910 -0.935 234 HG22 VAL 662 2HG2 VAL 662 1.004 6.494 -2.500 235 HG23 VAL 662 3HG2 VAL 662 0.223 5.107 -1.742 236 H ILE 663 H ILE 663 -2.961 6.729 0.887 237 HA ILE 663 HA ILE 663 -3.042 9.446 1.804 238 HB ILE 663 HB ILE 663 -4.738 8.085 0.354 239 HG12 ILE 663 2HG1 ILE 663 -6.253 9.772 2.227 240 HG13 ILE 663 1HG1 ILE 663 -4.780 10.517 1.614 241 HG21 ILE 663 1HG2 ILE 663 -6.476 6.993 1.402 242 HG22 ILE 663 2HG2 ILE 663 -6.174 7.776 2.953 243 HG23 ILE 663 3HG2 ILE 663 -5.092 6.508 2.380 244 HD11 ILE 663 1HD1 ILE 663 -6.437 9.222 -0.424 245 HD12 ILE 663 2HD1 ILE 663 -5.630 10.790 -0.437 246 HD13 ILE 663 3HD1 ILE 663 -7.182 10.603 0.380 247 H ALA 664 H ALA 664 -3.317 6.268 3.263 248 HA ALA 664 HA ALA 664 -4.163 7.302 5.820 249 HB1 ALA 664 1HB ALA 664 -5.000 5.204 5.650 250 HB2 ALA 664 2HB ALA 664 -3.459 4.788 6.401 251 HB3 ALA 664 3HB ALA 664 -3.661 4.630 4.656 252 H VAL 665 H VAL 665 -1.161 6.515 4.245 253 HA VAL 665 HA VAL 665 0.361 6.515 6.704 254 HB VAL 665 HB VAL 665 1.229 5.027 5.102 255 HG11 VAL 665 1HG1 VAL 665 1.972 6.316 2.811 256 HG12 VAL 665 2HG1 VAL 665 0.433 7.088 3.188 257 HG13 VAL 665 3HG1 VAL 665 0.517 5.337 3.000 258 HG21 VAL 665 1HG2 VAL 665 3.019 7.338 4.535 259 HG22 VAL 665 2HG2 VAL 665 3.429 5.671 4.941 260 HG23 VAL 665 3HG2 VAL 665 2.832 6.764 6.191 261 H ILE 666 H ILE 666 -0.338 8.629 4.010 262 HA ILE 666 HA ILE 666 1.510 10.684 4.802 263 HB ILE 666 HB ILE 666 -0.724 10.542 2.790 264 HG12 ILE 666 2HG1 ILE 666 2.283 10.793 2.522 265 HG13 ILE 666 1HG1 ILE 666 1.330 9.350 2.199 266 HG21 ILE 666 1HG2 ILE 666 0.155 12.777 1.983 267 HG22 ILE 666 2HG2 ILE 666 0.976 12.909 3.538 268 HG23 ILE 666 3HG2 ILE 666 -0.783 12.800 3.476 269 HD11 ILE 666 1HD1 ILE 666 1.832 10.288 0.107 270 HD12 ILE 666 2HD1 ILE 666 1.406 11.913 0.645 271 HD13 ILE 666 3HD1 ILE 666 0.146 10.699 0.420 272 H ALA 667 H ALA 667 -1.906 9.979 5.124 273 HA ALA 667 HA ALA 667 -3.061 12.268 5.938 274 HB1 ALA 667 1HB ALA 667 -4.638 10.711 6.137 275 HB2 ALA 667 2HB ALA 667 -4.054 10.484 7.786 276 HB3 ALA 667 3HB ALA 667 -3.460 9.448 6.487 277 H LEU 668 H LEU 668 -0.735 10.392 7.785 278 HA LEU 668 HA LEU 668 -1.081 11.987 10.162 279 HB2 LEU 668 2HB LEU 668 -0.554 9.654 10.423 280 HB3 LEU 668 1HB LEU 668 0.864 9.813 9.403 281 HG LEU 668 HG LEU 668 2.100 10.886 11.059 282 HD11 LEU 668 1HD1 LEU 668 -0.460 11.411 12.563 283 HD12 LEU 668 2HD1 LEU 668 0.417 12.595 11.593 284 HD13 LEU 668 3HD1 LEU 668 1.160 11.918 13.045 285 HD21 LEU 668 1HD2 LEU 668 0.967 8.463 11.593 286 HD22 LEU 668 2HD2 LEU 668 0.598 9.372 13.059 287 HD23 LEU 668 3HD2 LEU 668 2.270 9.202 12.524 288 H PHE 669 H PHE 669 1.737 11.274 8.081 289 HA PHE 669 HA PHE 669 3.386 13.308 9.004 290 HB2 PHE 669 2HB PHE 669 3.421 11.406 6.888 291 HB3 PHE 669 1HB PHE 669 3.838 12.971 6.198 292 HD1 PHE 669 1HD PHE 669 4.766 10.500 8.778 293 HD2 PHE 669 2HD PHE 669 5.941 13.959 6.595 294 HE1 PHE 669 1HE PHE 669 7.061 10.253 9.630 295 HE2 PHE 669 2HE PHE 669 8.238 13.718 7.443 296 HZ PHE 669 HZ PHE 669 8.801 11.863 8.962 297 H ALA 670 H ALA 670 0.644 13.451 6.927 298 HA ALA 670 HA ALA 670 1.209 15.938 5.686 299 HB1 ALA 670 1HB ALA 670 -1.536 14.795 6.124 300 HB2 ALA 670 2HB ALA 670 -0.430 14.155 4.907 301 HB3 ALA 670 3HB ALA 670 -0.974 15.832 4.813 302 H ILE 671 H ILE 671 0.004 15.041 8.817 303 HA ILE 671 HA ILE 671 -1.250 17.584 9.329 304 HB ILE 671 HB ILE 671 -0.498 15.502 11.364 305 HG12 ILE 671 2HG1 ILE 671 -3.261 15.657 10.260 306 HG13 ILE 671 1HG1 ILE 671 -2.036 14.864 9.277 307 HG21 ILE 671 1HG2 ILE 671 -2.242 17.910 11.335 308 HG22 ILE 671 2HG2 ILE 671 -1.116 17.346 12.569 309 HG23 ILE 671 3HG2 ILE 671 -2.677 16.550 12.369 310 HD11 ILE 671 1HD1 ILE 671 -3.000 13.137 10.489 311 HD12 ILE 671 2HD1 ILE 671 -3.074 14.090 11.971 312 HD13 ILE 671 3HD1 ILE 671 -1.522 13.496 11.380 313 H ALA 672 H ALA 672 1.601 15.897 10.517 314 HA ALA 672 HA ALA 672 2.665 17.757 12.221 315 HB1 ALA 672 1HB ALA 672 3.556 15.530 11.861 316 HB2 ALA 672 2HB ALA 672 4.824 16.747 11.700 317 HB3 ALA 672 3HB ALA 672 4.116 16.009 10.260 318 H LYS 673 H LYS 673 2.712 17.738 8.730 319 HA LYS 673 HA LYS 673 4.487 20.029 8.608 320 HB2 LYS 673 2HB LYS 673 3.994 19.758 6.075 321 HB3 LYS 673 1HB LYS 673 5.009 18.576 6.887 322 HG2 LYS 673 2HG LYS 673 3.691 17.013 6.034 323 HG3 LYS 673 1HG LYS 673 2.445 17.558 7.152 324 HD2 LYS 673 2HD LYS 673 1.262 17.831 5.241 325 HD3 LYS 673 1HD LYS 673 2.115 19.374 5.206 326 HE2 LYS 673 2HE LYS 673 3.356 18.789 3.426 327 HE3 LYS 673 1HE LYS 673 3.588 17.140 4.006 328 HZ1 LYS 673 1HZ LYS 673 1.899 16.399 2.775 329 HZ2 LYS 673 2HZ LYS 673 2.025 17.853 1.922 330 HZ3 LYS 673 3HZ LYS 673 0.892 17.701 3.168 331 H PHE 674 H PHE 674 1.130 19.417 8.695 332 HA PHE 674 HA PHE 674 0.471 21.976 7.446 333 HB2 PHE 674 2HB PHE 674 -0.782 19.732 7.063 334 HB3 PHE 674 1HB PHE 674 -1.537 20.081 8.613 335 HD1 PHE 674 1HD PHE 674 -3.088 21.920 8.856 336 HD2 PHE 674 2HD PHE 674 -1.252 21.075 5.111 337 HE1 PHE 674 1HE PHE 674 -4.729 23.366 7.729 338 HE2 PHE 674 2HE PHE 674 -2.890 22.520 3.977 339 HZ PHE 674 HZ PHE 674 -4.631 23.668 5.287 340 H VAL 675 H VAL 675 0.527 20.392 10.567 341 HA VAL 675 HA VAL 675 -0.801 22.670 11.828 342 HB VAL 675 HB VAL 675 0.203 20.128 13.111 343 HG11 VAL 675 1HG1 VAL 675 -0.068 21.432 14.938 344 HG12 VAL 675 2HG1 VAL 675 -1.766 21.011 14.712 345 HG13 VAL 675 3HG1 VAL 675 -1.151 22.552 14.112 346 HG21 VAL 675 1HG2 VAL 675 -1.570 19.807 11.364 347 HG22 VAL 675 2HG2 VAL 675 -2.632 20.805 12.357 348 HG23 VAL 675 3HG2 VAL 675 -2.017 19.277 12.985 349 H PHE 676 H PHE 676 2.258 21.966 10.873 350 HA PHE 676 HA PHE 676 3.387 23.723 12.933 351 HB2 PHE 676 2HB PHE 676 4.849 21.288 11.909 352 HB3 PHE 676 1HB PHE 676 5.354 22.376 13.195 353 HD1 PHE 676 1HD PHE 676 2.491 20.139 12.330 354 HD2 PHE 676 2HD PHE 676 5.036 21.703 15.362 355 HE1 PHE 676 1HE PHE 676 1.410 18.675 13.985 356 HE2 PHE 676 2HE PHE 676 3.957 20.245 17.023 357 HZ PHE 676 HZ PHE 676 2.142 18.728 16.336 Start of MODEL 17 1 H1 GLY 630 1HT GLY 630 10.072 -20.698 3.924 2 H2 GLY 630 2HT GLY 630 10.219 -19.826 2.482 3 H3 GLY 630 3HT GLY 630 8.691 -20.091 3.159 4 HA2 GLY 630 HA2 GLY 630 8.874 -18.431 4.638 5 HA3 GLY 630 HA3 GLY 630 10.577 -18.768 4.909 6 H SER 631 H SER 631 12.133 -17.796 3.597 7 HA SER 631 HA SER 631 13.062 -16.124 2.381 8 HB2 SER 631 2HB SER 631 11.981 -17.175 0.477 9 HB3 SER 631 1HB SER 631 10.472 -16.335 0.829 10 HG SER 631 HG SER 631 12.928 -15.234 -0.049 11 H ASP 632 H ASP 632 9.739 -14.940 1.942 12 HA ASP 632 HA ASP 632 10.420 -12.702 3.703 13 HB2 ASP 632 2HB ASP 632 10.479 -11.961 1.384 14 HB3 ASP 632 1HB ASP 632 8.831 -12.530 1.164 15 H LYS 633 H LYS 633 7.362 -12.803 2.152 16 HA LYS 633 HA LYS 633 5.876 -12.580 4.481 17 HB2 LYS 633 2HB LYS 633 3.930 -13.304 3.006 18 HB3 LYS 633 1HB LYS 633 4.841 -11.896 2.479 19 HG2 LYS 633 2HG LYS 633 6.121 -14.031 1.256 20 HG3 LYS 633 1HG LYS 633 4.405 -14.424 1.148 21 HD2 LYS 633 2HD LYS 633 4.609 -11.695 0.523 22 HD3 LYS 633 1HD LYS 633 5.933 -12.487 -0.334 23 HE2 LYS 633 2HE LYS 633 3.742 -12.322 -1.582 24 HE3 LYS 633 1HE LYS 633 4.455 -13.931 -1.478 25 HZ1 LYS 633 1HZ LYS 633 2.607 -13.245 0.648 26 HZ2 LYS 633 2HZ LYS 633 2.773 -14.687 -0.219 27 HZ3 LYS 633 3HZ LYS 633 1.914 -13.393 -0.888 28 H THR 634 H THR 634 6.575 -15.472 2.542 29 HA THR 634 HA THR 634 6.469 -17.153 4.797 30 HB THR 634 HB THR 634 4.454 -18.436 3.383 31 HG1 THR 634 1HG THR 634 3.601 -15.787 3.823 32 HG21 THR 634 1HG2 THR 634 3.736 -16.696 5.683 33 HG22 THR 634 2HG2 THR 634 4.846 -18.043 5.931 34 HG23 THR 634 3HG2 THR 634 3.224 -18.341 5.305 35 H LEU 635 H LEU 635 6.707 -16.710 1.477 36 HA LEU 635 HA LEU 635 8.779 -18.462 1.073 37 HB2 LEU 635 2HB LEU 635 7.290 -20.292 1.495 38 HB3 LEU 635 1HB LEU 635 6.127 -19.670 0.346 39 HG LEU 635 HG LEU 635 7.591 -21.665 -0.356 40 HD11 LEU 635 1HD1 LEU 635 6.200 -19.976 -1.793 41 HD12 LEU 635 2HD1 LEU 635 7.300 -21.119 -2.563 42 HD13 LEU 635 3HD1 LEU 635 7.793 -19.442 -2.329 43 HD21 LEU 635 1HD2 LEU 635 9.577 -19.409 -0.608 44 HD22 LEU 635 2HD2 LEU 635 9.744 -20.975 -1.403 45 HD23 LEU 635 3HD2 LEU 635 9.738 -20.877 0.357 46 HA PRO 636 HA PRO 636 7.027 -17.266 -3.294 47 HB2 PRO 636 2HB PRO 636 4.944 -15.417 -3.060 48 HB3 PRO 636 1HB PRO 636 4.779 -17.104 -3.546 49 HG2 PRO 636 2HG PRO 636 4.248 -15.828 -0.925 50 HG3 PRO 636 1HG PRO 636 3.480 -17.239 -1.668 51 HD2 PRO 636 2HD PRO 636 5.273 -17.412 0.364 52 HD3 PRO 636 1HD PRO 636 5.074 -18.684 -0.847 53 H ASP 637 H ASP 637 7.177 -15.353 -0.440 54 HA ASP 637 HA ASP 637 7.804 -13.170 -0.048 55 HB2 ASP 637 2HB ASP 637 10.148 -13.058 -0.157 56 HB3 ASP 637 1HB ASP 637 9.774 -14.771 -0.050 57 H GLN 638 H GLN 638 6.180 -13.118 -2.269 58 HA GLN 638 HA GLN 638 5.574 -11.854 -4.066 59 HB2 GLN 638 2HB GLN 638 7.484 -10.006 -2.647 60 HB3 GLN 638 1HB GLN 638 6.559 -9.506 -4.056 61 HG2 GLN 638 2HG GLN 638 4.732 -9.168 -2.846 62 HG3 GLN 638 1HG GLN 638 4.868 -10.744 -2.069 63 HE21 GLN 638 1HE2 GLN 638 5.802 -7.382 -1.913 64 HE22 GLN 638 2HE2 GLN 638 6.238 -7.378 -0.242 65 H GLY 639 H GLY 639 6.268 -12.955 -5.841 66 HA2 GLY 639 2HA GLY 639 8.360 -11.801 -7.386 67 HA3 GLY 639 1HA GLY 639 8.867 -13.343 -6.711 68 H ASP 640 H ASP 640 6.403 -14.699 -6.838 69 HA ASP 640 HA ASP 640 6.383 -15.357 -9.653 70 HB2 ASP 640 2HB ASP 640 6.354 -17.095 -7.848 71 HB3 ASP 640 1HB ASP 640 4.729 -16.562 -7.425 72 H ASN 641 H ASN 641 4.250 -13.847 -7.308 73 HA ASN 641 HA ASN 641 2.750 -12.547 -9.341 74 HB2 ASN 641 2HB ASN 641 1.720 -15.081 -8.242 75 HB3 ASN 641 1HB ASN 641 0.568 -13.749 -8.225 76 HD21 ASN 641 1HD2 ASN 641 2.094 -16.120 -10.092 77 HD22 ASN 641 2HD2 ASN 641 1.460 -15.661 -11.633 78 H ASP 642 H ASP 642 4.156 -11.523 -7.271 79 HA ASP 642 HA ASP 642 2.943 -11.100 -4.833 80 HB2 ASP 642 2HB ASP 642 4.204 -8.972 -4.748 81 HB3 ASP 642 1HB ASP 642 5.192 -10.312 -5.321 82 H ASN 643 H ASN 643 2.086 -9.805 -7.934 83 HA ASN 643 HA ASN 643 0.662 -7.535 -7.297 84 HB2 ASN 643 2HB ASN 643 0.302 -9.607 -9.441 85 HB3 ASN 643 1HB ASN 643 -0.795 -8.235 -9.319 86 HD21 ASN 643 1HD2 ASN 643 -0.268 -6.950 -10.948 87 HD22 ASN 643 2HD2 ASN 643 1.321 -6.367 -11.295 88 H TRP 644 H TRP 644 -0.131 -10.800 -6.513 89 HA TRP 644 HA TRP 644 -2.866 -10.849 -6.415 90 HB2 TRP 644 2HB TRP 644 -2.697 -12.550 -4.753 91 HB3 TRP 644 1HB TRP 644 -1.276 -12.707 -5.779 92 HD1 TRP 644 HD TRP 644 1.050 -11.570 -4.700 93 HE1 TRP 644 1HE TRP 644 1.839 -11.579 -2.251 94 HE3 TRP 644 3HE TRP 644 -3.414 -12.564 -2.414 95 HZ2 TRP 644 2HZ TRP 644 0.717 -11.956 0.311 96 HZ3 TRP 644 3HZ TRP 644 -3.469 -12.732 0.040 97 HH2 TRP 644 HH TRP 644 -1.445 -12.435 1.373 98 H TRP 645 H TRP 645 -0.697 -9.052 -4.366 99 HA TRP 645 HA TRP 645 -2.960 -7.637 -3.227 100 HB2 TRP 645 2HB TRP 645 -1.583 -9.670 -1.762 101 HB3 TRP 645 1HB TRP 645 -1.221 -8.112 -1.027 102 HD1 TRP 645 HD TRP 645 -4.395 -10.040 -2.187 103 HE1 TRP 645 1HE TRP 645 -6.275 -9.539 -0.502 104 HE3 TRP 645 3HE TRP 645 -1.910 -6.766 0.856 105 HZ2 TRP 645 2HZ TRP 645 -6.655 -7.965 1.810 106 HZ3 TRP 645 3HZ TRP 645 -3.105 -5.808 2.782 107 HH2 TRP 645 HH TRP 645 -5.428 -6.396 3.248 108 H THR 646 H THR 646 -0.557 -7.165 -4.995 109 HA THR 646 HA THR 646 0.152 -4.619 -3.848 110 HB THR 646 HB THR 646 1.785 -6.233 -2.830 111 HG1 THR 646 1HG THR 646 2.491 -4.171 -2.943 112 HG21 THR 646 1HG2 THR 646 2.098 -7.090 -5.530 113 HG22 THR 646 2HG2 THR 646 2.816 -7.745 -4.059 114 HG23 THR 646 3HG2 THR 646 3.629 -6.449 -4.935 115 H GLY 647 H GLY 647 -1.136 -5.797 -6.271 116 HA2 GLY 647 2HA GLY 647 0.405 -4.243 -8.227 117 HA3 GLY 647 1HA GLY 647 -0.033 -5.898 -8.625 118 H TRP 648 H TRP 648 -1.881 -6.191 -9.681 119 HA TRP 648 HA TRP 648 -3.512 -4.058 -10.481 120 HB2 TRP 648 2HB TRP 648 -5.041 -5.801 -11.342 121 HB3 TRP 648 1HB TRP 648 -3.364 -6.108 -11.783 122 HD1 TRP 648 HD TRP 648 -2.192 -8.257 -10.745 123 HE1 TRP 648 1HE TRP 648 -3.126 -10.339 -9.555 124 HE3 TRP 648 3HE TRP 648 -6.909 -6.566 -9.729 125 HZ2 TRP 648 2HZ TRP 648 -5.542 -11.157 -8.346 126 HZ3 TRP 648 3HZ TRP 648 -8.470 -8.061 -8.553 127 HH2 TRP 648 HH TRP 648 -7.799 -10.309 -7.877 128 H ARG 649 H ARG 649 -3.526 -5.951 -7.615 129 HA ARG 649 HA ARG 649 -6.264 -5.337 -6.918 130 HB2 ARG 649 2HB ARG 649 -4.952 -7.493 -6.332 131 HB3 ARG 649 1HB ARG 649 -4.219 -6.521 -5.063 132 HG2 ARG 649 2HG ARG 649 -6.388 -6.100 -4.083 133 HG3 ARG 649 1HG ARG 649 -7.176 -6.977 -5.397 134 HD2 ARG 649 2HD ARG 649 -6.065 -9.028 -4.727 135 HD3 ARG 649 1HD ARG 649 -5.195 -8.166 -3.458 136 HE ARG 649 HE ARG 649 -7.045 -8.352 -2.141 137 HH11 ARG 649 1HH1 ARG 649 -8.014 -8.801 -5.463 138 HH12 ARG 649 2HH1 ARG 649 -9.649 -9.208 -5.063 139 HH21 ARG 649 1HH2 ARG 649 -9.195 -8.885 -1.611 140 HH22 ARG 649 2HH2 ARG 649 -10.320 -9.254 -2.875 141 H GLN 650 H GLN 650 -3.148 -3.990 -6.575 142 HA GLN 650 HA GLN 650 -3.542 -2.581 -4.162 143 HB2 GLN 650 2HB GLN 650 -1.473 -2.857 -6.135 144 HB3 GLN 650 1HB GLN 650 -1.693 -1.156 -5.750 145 HG2 GLN 650 2HG GLN 650 -1.538 -3.058 -3.487 146 HG3 GLN 650 1HG GLN 650 -0.058 -2.731 -4.387 147 HE21 GLN 650 1HE2 GLN 650 0.523 -0.443 -4.655 148 HE22 GLN 650 2HE2 GLN 650 0.174 0.650 -3.363 149 H TRP 651 H TRP 651 -4.420 -2.007 -7.461 150 HA TRP 651 HA TRP 651 -5.945 0.322 -6.673 151 HB2 TRP 651 2HB TRP 651 -4.981 1.690 -8.557 152 HB3 TRP 651 1HB TRP 651 -3.891 1.420 -7.200 153 HD1 TRP 651 HD TRP 651 -2.204 -0.884 -7.661 154 HE1 TRP 651 1HE TRP 651 -0.863 -1.367 -9.803 155 HE3 TRP 651 3HE TRP 651 -4.819 2.047 -10.934 156 HZ2 TRP 651 2HZ TRP 651 -0.907 -0.606 -12.522 157 HZ3 TRP 651 3HZ TRP 651 -4.104 2.113 -13.288 158 HH2 TRP 651 HH TRP 651 -2.188 0.814 -14.063 159 H ILE 652 H ILE 652 -7.223 -1.832 -7.283 160 HA ILE 652 HA ILE 652 -7.605 -2.446 -10.009 161 HB ILE 652 HB ILE 652 -9.777 -2.720 -7.943 162 HG12 ILE 652 2HG1 ILE 652 -8.069 -5.063 -8.281 163 HG13 ILE 652 1HG1 ILE 652 -7.207 -3.701 -7.578 164 HG21 ILE 652 1HG2 ILE 652 -9.114 -3.975 -10.558 165 HG22 ILE 652 2HG2 ILE 652 -10.663 -3.401 -9.939 166 HG23 ILE 652 3HG2 ILE 652 -9.987 -4.920 -9.351 167 HD11 ILE 652 1HD1 ILE 652 -9.840 -4.229 -6.407 168 HD12 ILE 652 2HD1 ILE 652 -8.299 -3.857 -5.633 169 HD13 ILE 652 3HD1 ILE 652 -8.641 -5.501 -6.173 170 HA PRO 653 HA PRO 653 -11.084 0.765 -10.003 171 HB2 PRO 653 2HB PRO 653 -11.741 1.981 -7.632 172 HB3 PRO 653 1HB PRO 653 -12.407 0.439 -8.170 173 HG2 PRO 653 2HG PRO 653 -10.629 0.943 -5.959 174 HG3 PRO 653 1HG PRO 653 -11.359 -0.591 -6.451 175 HD2 PRO 653 2HD PRO 653 -8.660 0.467 -6.992 176 HD3 PRO 653 1HD PRO 653 -9.239 -1.211 -7.001 177 H ALA 654 H ALA 654 -9.687 2.441 -7.216 178 HA ALA 654 HA ALA 654 -7.747 4.011 -8.288 179 HB1 ALA 654 1HB ALA 654 -9.124 6.166 -8.724 180 HB2 ALA 654 2HB ALA 654 -10.463 5.052 -9.002 181 HB3 ALA 654 3HB ALA 654 -9.010 4.949 -9.995 182 H GLY 655 H GLY 655 -7.025 3.994 -6.185 183 HA2 GLY 655 2HA GLY 655 -6.747 5.441 -4.285 184 HA3 GLY 655 1HA GLY 655 -8.466 5.797 -4.357 185 H ILE 656 H ILE 656 -6.821 2.661 -4.448 186 HA ILE 656 HA ILE 656 -8.296 1.915 -2.006 187 HB ILE 656 HB ILE 656 -8.947 0.698 -4.074 188 HG12 ILE 656 2HG1 ILE 656 -8.690 -1.604 -3.071 189 HG13 ILE 656 1HG1 ILE 656 -7.648 -0.884 -1.848 190 HG21 ILE 656 1HG2 ILE 656 -6.357 -0.766 -3.968 191 HG22 ILE 656 2HG2 ILE 656 -6.463 0.760 -4.844 192 HG23 ILE 656 3HG2 ILE 656 -7.499 -0.593 -5.302 193 HD11 ILE 656 1HD1 ILE 656 -9.504 -0.629 -0.656 194 HD12 ILE 656 2HD1 ILE 656 -10.542 -0.915 -2.052 195 HD13 ILE 656 3HD1 ILE 656 -9.890 0.696 -1.754 196 H GLY 657 H GLY 657 -5.221 1.609 -3.740 197 HA2 GLY 657 2HA GLY 657 -3.927 1.014 -1.163 198 HA3 GLY 657 1HA GLY 657 -3.551 0.047 -2.582 199 H VAL 658 H VAL 658 -3.204 1.679 -4.579 200 HA VAL 658 HA VAL 658 -0.731 2.938 -4.077 201 HB VAL 658 HB VAL 658 -1.586 2.015 -6.293 202 HG11 VAL 658 1HG1 VAL 658 -2.820 3.498 -7.752 203 HG12 VAL 658 2HG1 VAL 658 -2.896 4.723 -6.485 204 HG13 VAL 658 3HG1 VAL 658 -3.746 3.190 -6.283 205 HG21 VAL 658 1HG2 VAL 658 -0.169 3.406 -7.561 206 HG22 VAL 658 2HG2 VAL 658 0.478 3.452 -5.921 207 HG23 VAL 658 3HG2 VAL 658 -0.482 4.801 -6.528 208 H THR 659 H THR 659 -4.007 4.137 -4.495 209 HA THR 659 HA THR 659 -3.132 6.767 -3.506 210 HB THR 659 HB THR 659 -5.372 6.028 -5.393 211 HG1 THR 659 1HG THR 659 -4.280 7.549 -6.709 212 HG21 THR 659 1HG2 THR 659 -6.109 8.299 -5.425 213 HG22 THR 659 2HG2 THR 659 -4.866 8.769 -4.266 214 HG23 THR 659 3HG2 THR 659 -6.186 7.713 -3.763 215 H GLY 660 H GLY 660 -5.010 3.976 -2.908 216 HA2 GLY 660 2HA GLY 660 -6.894 5.239 -1.123 217 HA3 GLY 660 1HA GLY 660 -6.703 3.514 -1.405 218 H VAL 661 H VAL 661 -4.065 3.123 -0.765 219 HA VAL 661 HA VAL 661 -4.171 3.299 2.121 220 HB VAL 661 HB VAL 661 -2.186 1.972 0.270 221 HG11 VAL 661 1HG1 VAL 661 -2.133 2.382 3.221 222 HG12 VAL 661 2HG1 VAL 661 -0.807 2.386 2.058 223 HG13 VAL 661 3HG1 VAL 661 -1.534 0.860 2.560 224 HG21 VAL 661 1HG2 VAL 661 -3.287 0.015 0.639 225 HG22 VAL 661 2HG2 VAL 661 -4.645 1.126 0.820 226 HG23 VAL 661 3HG2 VAL 661 -3.826 0.493 2.249 227 H VAL 662 H VAL 662 -1.749 4.102 -0.349 228 HA VAL 662 HA VAL 662 0.105 5.464 1.072 229 HB VAL 662 HB VAL 662 -1.027 6.162 -1.631 230 HG11 VAL 662 1HG1 VAL 662 0.790 7.587 -2.056 231 HG12 VAL 662 2HG1 VAL 662 1.693 7.002 -0.660 232 HG13 VAL 662 3HG1 VAL 662 0.281 8.033 -0.426 233 HG21 VAL 662 1HG2 VAL 662 0.997 4.253 -0.633 234 HG22 VAL 662 2HG2 VAL 662 1.376 5.098 -2.134 235 HG23 VAL 662 3HG2 VAL 662 -0.097 4.136 -2.011 236 H ILE 663 H ILE 663 -3.090 6.569 0.219 237 HA ILE 663 HA ILE 663 -2.621 9.276 1.067 238 HB ILE 663 HB ILE 663 -4.304 8.281 -0.699 239 HG12 ILE 663 2HG1 ILE 663 -5.819 10.399 0.076 240 HG13 ILE 663 1HG1 ILE 663 -4.333 10.722 0.964 241 HG21 ILE 663 1HG2 ILE 663 -6.468 7.853 -0.007 242 HG22 ILE 663 2HG2 ILE 663 -6.235 8.638 1.555 243 HG23 ILE 663 3HG2 ILE 663 -5.502 7.066 1.240 244 HD11 ILE 663 1HD1 ILE 663 -3.525 10.040 -1.618 245 HD12 ILE 663 2HD1 ILE 663 -3.527 11.640 -0.877 246 HD13 ILE 663 3HD1 ILE 663 -4.919 11.101 -1.816 247 H ALA 664 H ALA 664 -4.040 6.371 2.432 248 HA ALA 664 HA ALA 664 -5.081 7.735 4.751 249 HB1 ALA 664 1HB ALA 664 -5.767 5.428 3.530 250 HB2 ALA 664 2HB ALA 664 -6.179 5.821 5.199 251 HB3 ALA 664 3HB ALA 664 -4.777 4.809 4.852 252 H VAL 665 H VAL 665 -2.142 6.098 3.859 253 HA VAL 665 HA VAL 665 -1.230 5.821 6.587 254 HB VAL 665 HB VAL 665 -0.492 4.086 5.161 255 HG11 VAL 665 1HG1 VAL 665 1.114 5.137 3.172 256 HG12 VAL 665 2HG1 VAL 665 -0.289 6.203 3.187 257 HG13 VAL 665 3HG1 VAL 665 -0.504 4.468 2.964 258 HG21 VAL 665 1HG2 VAL 665 1.977 5.724 5.071 259 HG22 VAL 665 2HG2 VAL 665 1.738 4.066 5.622 260 HG23 VAL 665 3HG2 VAL 665 1.236 5.415 6.640 261 H ILE 666 H ILE 666 -0.793 7.923 3.839 262 HA ILE 666 HA ILE 666 1.328 9.463 5.033 263 HB ILE 666 HB ILE 666 -0.347 9.791 2.552 264 HG12 ILE 666 2HG1 ILE 666 2.599 9.212 2.952 265 HG13 ILE 666 1HG1 ILE 666 1.376 8.027 2.509 266 HG21 ILE 666 1HG2 ILE 666 1.778 11.619 3.649 267 HG22 ILE 666 2HG2 ILE 666 0.111 12.016 3.232 268 HG23 ILE 666 3HG2 ILE 666 1.271 11.631 1.960 269 HD11 ILE 666 1HD1 ILE 666 0.964 9.646 0.503 270 HD12 ILE 666 2HD1 ILE 666 2.308 8.504 0.475 271 HD13 ILE 666 3HD1 ILE 666 2.596 10.195 0.881 272 H ALA 667 H ALA 667 -2.138 9.677 4.547 273 HA ALA 667 HA ALA 667 -2.779 12.246 5.069 274 HB1 ALA 667 1HB ALA 667 -4.056 9.665 5.538 275 HB2 ALA 667 2HB ALA 667 -4.701 11.138 4.817 276 HB3 ALA 667 3HB ALA 667 -4.659 10.961 6.572 277 H LEU 668 H LEU 668 -1.544 9.924 7.388 278 HA LEU 668 HA LEU 668 -2.000 11.661 9.644 279 HB2 LEU 668 2HB LEU 668 -2.180 9.266 9.945 280 HB3 LEU 668 1HB LEU 668 -0.545 9.035 9.353 281 HG LEU 668 HG LEU 668 0.422 9.816 11.313 282 HD11 LEU 668 1HD1 LEU 668 -0.817 11.931 11.406 283 HD12 LEU 668 2HD1 LEU 668 -0.722 11.156 12.990 284 HD13 LEU 668 3HD1 LEU 668 -2.215 11.074 12.056 285 HD21 LEU 668 1HD2 LEU 668 -0.261 8.222 12.727 286 HD22 LEU 668 2HD2 LEU 668 -1.421 7.807 11.465 287 HD23 LEU 668 3HD2 LEU 668 -1.905 8.857 12.797 288 H PHE 669 H PHE 669 0.928 10.146 8.263 289 HA PHE 669 HA PHE 669 2.801 11.713 9.583 290 HB2 PHE 669 2HB PHE 669 2.870 9.702 7.671 291 HB3 PHE 669 1HB PHE 669 3.601 11.076 6.847 292 HD1 PHE 669 1HD PHE 669 3.800 9.067 9.963 293 HD2 PHE 669 2HD PHE 669 5.821 11.638 7.239 294 HE1 PHE 669 1HE PHE 669 5.922 8.627 11.128 295 HE2 PHE 669 2HE PHE 669 7.947 11.202 8.399 296 HZ PHE 669 HZ PHE 669 7.999 9.694 10.345 297 H ALA 670 H ALA 670 0.739 12.476 6.934 298 HA ALA 670 HA ALA 670 2.207 14.709 5.949 299 HB1 ALA 670 1HB ALA 670 0.403 15.070 4.496 300 HB2 ALA 670 2HB ALA 670 -0.743 14.282 5.580 301 HB3 ALA 670 3HB ALA 670 0.454 13.319 4.710 302 H ILE 671 H ILE 671 0.043 14.215 8.613 303 HA ILE 671 HA ILE 671 -0.793 16.943 8.860 304 HB ILE 671 HB ILE 671 -0.752 15.001 11.138 305 HG12 ILE 671 2HG1 ILE 671 -2.806 15.130 8.913 306 HG13 ILE 671 1HG1 ILE 671 -1.716 13.788 9.241 307 HG21 ILE 671 1HG2 ILE 671 -1.520 16.967 11.975 308 HG22 ILE 671 2HG2 ILE 671 -3.046 16.295 11.399 309 HG23 ILE 671 3HG2 ILE 671 -2.189 17.495 10.431 310 HD11 ILE 671 1HD1 ILE 671 -3.763 14.756 11.209 311 HD12 ILE 671 2HD1 ILE 671 -2.832 13.260 11.257 312 HD13 ILE 671 3HD1 ILE 671 -4.072 13.488 10.024 313 H ALA 672 H ALA 672 1.392 14.905 10.727 314 HA ALA 672 HA ALA 672 2.380 16.711 12.513 315 HB1 ALA 672 1HB ALA 672 4.353 14.925 11.246 316 HB2 ALA 672 2HB ALA 672 2.911 14.171 11.924 317 HB3 ALA 672 3HB ALA 672 3.960 15.151 12.951 318 H LYS 673 H LYS 673 3.972 15.895 9.456 319 HA LYS 673 HA LYS 673 5.848 17.931 9.477 320 HB2 LYS 673 2HB LYS 673 5.770 17.617 6.915 321 HB3 LYS 673 1HB LYS 673 6.226 16.243 7.913 322 HG2 LYS 673 2HG LYS 673 4.657 15.064 6.893 323 HG3 LYS 673 1HG LYS 673 3.451 16.084 7.676 324 HD2 LYS 673 2HD LYS 673 2.821 16.567 5.574 325 HD3 LYS 673 1HD LYS 673 4.203 17.663 5.600 326 HE2 LYS 673 2HE LYS 673 5.604 15.865 4.652 327 HE3 LYS 673 1HE LYS 673 4.179 14.831 4.563 328 HZ1 LYS 673 1HZ LYS 673 4.327 17.465 3.215 329 HZ2 LYS 673 2HZ LYS 673 3.202 16.228 2.959 330 HZ3 LYS 673 3HZ LYS 673 4.806 16.027 2.463 331 H PHE 674 H PHE 674 2.463 18.084 8.833 332 HA PHE 674 HA PHE 674 2.404 20.398 7.213 333 HB2 PHE 674 2HB PHE 674 0.516 18.696 7.784 334 HB3 PHE 674 1HB PHE 674 0.225 19.739 9.170 335 HD1 PHE 674 1HD PHE 674 -0.640 21.981 8.882 336 HD2 PHE 674 2HD PHE 674 0.036 19.435 5.540 337 HE1 PHE 674 1HE PHE 674 -2.003 23.471 7.477 338 HE2 PHE 674 2HE PHE 674 -1.325 20.921 4.128 339 HZ PHE 674 HZ PHE 674 -2.347 22.942 5.096 340 H VAL 675 H VAL 675 2.080 19.967 10.730 341 HA VAL 675 HA VAL 675 2.324 22.875 11.067 342 HB VAL 675 HB VAL 675 1.645 20.842 13.191 343 HG11 VAL 675 1HG1 VAL 675 0.588 22.964 14.191 344 HG12 VAL 675 2HG1 VAL 675 1.608 23.836 13.047 345 HG13 VAL 675 3HG1 VAL 675 2.341 22.790 14.263 346 HG21 VAL 675 1HG2 VAL 675 -0.017 22.072 11.089 347 HG22 VAL 675 2HG2 VAL 675 -0.692 22.099 12.718 348 HG23 VAL 675 3HG2 VAL 675 -0.239 20.564 11.976 349 H PHE 676 H PHE 676 3.745 19.821 12.136 350 HA PHE 676 HA PHE 676 6.223 21.252 12.754 351 HB2 PHE 676 2HB PHE 676 6.294 19.377 14.707 352 HB3 PHE 676 1HB PHE 676 5.730 21.024 14.955 353 HD1 PHE 676 1HD PHE 676 4.091 18.073 13.361 354 HD2 PHE 676 2HD PHE 676 4.031 20.954 16.497 355 HE1 PHE 676 1HE PHE 676 1.900 17.215 14.111 356 HE2 PHE 676 2HE PHE 676 1.849 20.101 17.247 357 HZ PHE 676 HZ PHE 676 0.783 18.230 16.054 Start of MODEL 18 1 H1 GLY 630 1HT GLY 630 7.472 -20.902 3.615 2 H2 GLY 630 2HT GLY 630 7.372 -20.041 2.162 3 H3 GLY 630 3HT GLY 630 5.962 -20.436 3.009 4 HA2 GLY 630 HA2 GLY 630 6.343 -18.169 3.446 5 HA3 GLY 630 HA3 GLY 630 6.793 -19.053 4.895 6 H SER 631 H SER 631 7.919 -17.147 2.225 7 HA SER 631 HA SER 631 10.651 -17.232 3.310 8 HB2 SER 631 2HB SER 631 11.018 -17.699 1.105 9 HB3 SER 631 1HB SER 631 9.550 -16.882 0.575 10 HG SER 631 HG SER 631 12.010 -15.688 1.329 11 H ASP 632 H ASP 632 8.075 -15.033 2.262 12 HA ASP 632 HA ASP 632 9.288 -12.976 3.937 13 HB2 ASP 632 2HB ASP 632 8.412 -12.604 1.098 14 HB3 ASP 632 1HB ASP 632 8.602 -11.258 2.209 15 H LYS 633 H LYS 633 6.667 -12.175 1.878 16 HA LYS 633 HA LYS 633 4.984 -11.217 3.814 17 HB2 LYS 633 2HB LYS 633 3.148 -11.518 2.129 18 HB3 LYS 633 1HB LYS 633 4.572 -10.681 1.527 19 HG2 LYS 633 2HG LYS 633 5.227 -13.169 0.823 20 HG3 LYS 633 1HG LYS 633 3.468 -13.321 0.794 21 HD2 LYS 633 2HD LYS 633 5.080 -11.236 -0.678 22 HD3 LYS 633 1HD LYS 633 4.362 -12.678 -1.399 23 HE2 LYS 633 2HE LYS 633 2.168 -11.895 -1.016 24 HE3 LYS 633 1HE LYS 633 2.729 -10.629 0.074 25 HZ1 LYS 633 1HZ LYS 633 2.083 -10.042 -2.345 26 HZ2 LYS 633 2HZ LYS 633 3.620 -10.635 -2.730 27 HZ3 LYS 633 3HZ LYS 633 3.460 -9.334 -1.661 28 H THR 634 H THR 634 5.026 -14.494 2.448 29 HA THR 634 HA THR 634 4.187 -15.705 4.805 30 HB THR 634 HB THR 634 1.881 -16.347 3.336 31 HG1 THR 634 1HG THR 634 0.945 -14.332 3.023 32 HG21 THR 634 1HG2 THR 634 1.583 -16.399 5.604 33 HG22 THR 634 2HG2 THR 634 0.787 -14.883 5.184 34 HG23 THR 634 3HG2 THR 634 2.416 -14.866 5.860 35 H LEU 635 H LEU 635 4.789 -15.813 1.525 36 HA LEU 635 HA LEU 635 6.009 -18.271 1.519 37 HB2 LEU 635 2HB LEU 635 3.882 -19.311 1.879 38 HB3 LEU 635 1HB LEU 635 3.171 -18.422 0.552 39 HG LEU 635 HG LEU 635 3.768 -20.899 0.187 40 HD11 LEU 635 1HD1 LEU 635 3.287 -18.991 -1.531 41 HD12 LEU 635 2HD1 LEU 635 3.914 -20.547 -2.075 42 HD13 LEU 635 3HD1 LEU 635 5.002 -19.169 -1.902 43 HD21 LEU 635 1HD2 LEU 635 6.502 -19.635 0.050 44 HD22 LEU 635 2HD2 LEU 635 6.107 -21.201 -0.659 45 HD23 LEU 635 3HD2 LEU 635 5.976 -20.965 1.083 46 HA PRO 636 HA PRO 636 5.299 -17.004 -3.106 47 HB2 PRO 636 2HB PRO 636 4.092 -14.495 -3.298 48 HB3 PRO 636 1HB PRO 636 3.317 -16.040 -3.656 49 HG2 PRO 636 2HG PRO 636 3.117 -14.334 -1.238 50 HG3 PRO 636 1HG PRO 636 1.912 -15.411 -1.962 51 HD2 PRO 636 2HD PRO 636 3.296 -16.025 0.292 52 HD3 PRO 636 1HD PRO 636 2.714 -17.255 -0.837 53 H ASP 637 H ASP 637 5.893 -14.977 -0.396 54 HA ASP 637 HA ASP 637 7.258 -13.133 -0.095 55 HB2 ASP 637 2HB ASP 637 9.410 -13.960 0.280 56 HB3 ASP 637 1HB ASP 637 8.382 -15.382 0.373 57 H GLN 638 H GLN 638 6.107 -12.727 -2.508 58 HA GLN 638 HA GLN 638 6.319 -11.735 -4.560 59 HB2 GLN 638 2HB GLN 638 7.813 -9.736 -4.502 60 HB3 GLN 638 1HB GLN 638 6.704 -9.848 -3.143 61 HG2 GLN 638 2HG GLN 638 8.443 -10.568 -1.684 62 HG3 GLN 638 1HG GLN 638 9.573 -10.736 -3.025 63 HE21 GLN 638 1HE2 GLN 638 11.031 -9.198 -3.014 64 HE22 GLN 638 2HE2 GLN 638 10.771 -7.543 -2.594 65 H GLY 639 H GLY 639 7.136 -13.792 -5.469 66 HA2 GLY 639 2HA GLY 639 9.785 -13.335 -6.656 67 HA3 GLY 639 1HA GLY 639 9.460 -14.879 -5.882 68 H ASP 640 H ASP 640 7.080 -15.661 -6.674 69 HA ASP 640 HA ASP 640 7.410 -15.974 -9.557 70 HB2 ASP 640 2HB ASP 640 5.480 -17.425 -7.739 71 HB3 ASP 640 1HB ASP 640 5.959 -17.883 -9.371 72 H ASN 641 H ASN 641 5.223 -14.607 -7.210 73 HA ASN 641 HA ASN 641 3.896 -13.071 -9.220 74 HB2 ASN 641 2HB ASN 641 2.812 -15.591 -8.803 75 HB3 ASN 641 1HB ASN 641 1.808 -14.542 -7.808 76 HD21 ASN 641 1HD2 ASN 641 3.156 -14.864 -11.057 77 HD22 ASN 641 2HD2 ASN 641 1.828 -14.119 -11.873 78 H ASP 642 H ASP 642 4.232 -11.228 -8.103 79 HA ASP 642 HA ASP 642 3.379 -11.108 -5.298 80 HB2 ASP 642 2HB ASP 642 4.681 -9.042 -5.161 81 HB3 ASP 642 1HB ASP 642 5.673 -10.354 -5.787 82 H ASN 643 H ASN 643 2.810 -9.721 -8.464 83 HA ASN 643 HA ASN 643 1.273 -7.513 -7.844 84 HB2 ASN 643 2HB ASN 643 1.055 -9.444 -10.154 85 HB3 ASN 643 1HB ASN 643 0.150 -7.935 -10.067 86 HD21 ASN 643 1HD2 ASN 643 1.035 -6.597 -11.472 87 HD22 ASN 643 2HD2 ASN 643 2.722 -6.258 -11.623 88 H TRP 644 H TRP 644 0.472 -10.852 -7.455 89 HA TRP 644 HA TRP 644 -2.258 -10.928 -7.656 90 HB2 TRP 644 2HB TRP 644 -2.233 -12.808 -6.212 91 HB3 TRP 644 1HB TRP 644 -0.679 -12.821 -7.039 92 HD1 TRP 644 HD TRP 644 1.409 -11.667 -5.502 93 HE1 TRP 644 1HE TRP 644 1.859 -11.991 -2.988 94 HE3 TRP 644 3HE TRP 644 -3.227 -13.257 -4.046 95 HZ2 TRP 644 2HZ TRP 644 0.435 -12.815 -0.692 96 HZ3 TRP 644 3HZ TRP 644 -3.599 -13.793 -1.674 97 HH2 TRP 644 HH TRP 644 -1.805 -13.576 -0.033 98 H TRP 645 H TRP 645 -0.350 -9.324 -5.232 99 HA TRP 645 HA TRP 645 -2.755 -8.089 -4.168 100 HB2 TRP 645 2HB TRP 645 -1.917 -10.251 -2.836 101 HB3 TRP 645 1HB TRP 645 -0.849 -9.060 -2.102 102 HD1 TRP 645 HD TRP 645 -4.558 -9.979 -2.389 103 HE1 TRP 645 1HE TRP 645 -5.849 -8.774 -0.518 104 HE3 TRP 645 3HE TRP 645 -0.794 -7.034 -0.570 105 HZ2 TRP 645 2HZ TRP 645 -5.341 -6.833 1.466 106 HZ3 TRP 645 3HZ TRP 645 -1.281 -5.531 1.316 107 HH2 TRP 645 HH TRP 645 -3.508 -5.434 2.312 108 H THR 646 H THR 646 -0.170 -7.411 -5.659 109 HA THR 646 HA THR 646 0.298 -4.938 -4.249 110 HB THR 646 HB THR 646 1.888 -6.610 -3.218 111 HG1 THR 646 1HG THR 646 3.033 -4.423 -4.613 112 HG21 THR 646 1HG2 THR 646 2.512 -7.188 -5.912 113 HG22 THR 646 2HG2 THR 646 3.205 -7.881 -4.446 114 HG23 THR 646 3HG2 THR 646 3.932 -6.448 -5.173 115 H GLY 647 H GLY 647 -0.699 -5.933 -6.872 116 HA2 GLY 647 2HA GLY 647 0.980 -4.184 -8.531 117 HA3 GLY 647 1HA GLY 647 0.616 -5.803 -9.110 118 H TRP 648 H TRP 648 -1.354 -6.232 -10.010 119 HA TRP 648 HA TRP 648 -2.854 -4.043 -10.997 120 HB2 TRP 648 2HB TRP 648 -4.421 -5.811 -11.826 121 HB3 TRP 648 1HB TRP 648 -2.742 -6.077 -12.286 122 HD1 TRP 648 HD TRP 648 -1.534 -8.224 -11.332 123 HE1 TRP 648 1HE TRP 648 -2.389 -10.314 -10.095 124 HE3 TRP 648 3HE TRP 648 -6.211 -6.576 -10.086 125 HZ2 TRP 648 2HZ TRP 648 -4.735 -11.152 -8.768 126 HZ3 TRP 648 3HZ TRP 648 -7.698 -8.083 -8.833 127 HH2 TRP 648 HH TRP 648 -6.974 -10.324 -8.189 128 H ARG 649 H ARG 649 -3.134 -6.072 -8.193 129 HA ARG 649 HA ARG 649 -5.827 -5.197 -7.577 130 HB2 ARG 649 2HB ARG 649 -5.248 -7.479 -7.029 131 HB3 ARG 649 1HB ARG 649 -3.855 -6.948 -6.099 132 HG2 ARG 649 2HG ARG 649 -5.353 -5.878 -4.481 133 HG3 ARG 649 1HG ARG 649 -6.743 -6.446 -5.409 134 HD2 ARG 649 2HD ARG 649 -4.883 -8.586 -4.799 135 HD3 ARG 649 1HD ARG 649 -5.471 -7.788 -3.343 136 HE ARG 649 HE ARG 649 -7.758 -8.185 -4.592 137 HH11 ARG 649 1HH1 ARG 649 -5.052 -10.371 -4.252 138 HH12 ARG 649 2HH1 ARG 649 -6.037 -11.792 -4.312 139 HH21 ARG 649 1HH2 ARG 649 -9.047 -10.057 -4.669 140 HH22 ARG 649 2HH2 ARG 649 -8.301 -11.616 -4.549 141 H GLN 650 H GLN 650 -2.689 -4.051 -7.160 142 HA GLN 650 HA GLN 650 -2.876 -2.886 -4.609 143 HB2 GLN 650 2HB GLN 650 -0.960 -3.043 -6.690 144 HB3 GLN 650 1HB GLN 650 -1.166 -1.340 -6.304 145 HG2 GLN 650 2HG GLN 650 -0.805 -3.283 -4.081 146 HG3 GLN 650 1HG GLN 650 0.593 -2.817 -5.050 147 HE21 GLN 650 1HE2 GLN 650 -0.610 -2.237 -2.226 148 HE22 GLN 650 2HE2 GLN 650 -0.337 -0.540 -2.049 149 H TRP 651 H TRP 651 -4.429 -2.103 -7.511 150 HA TRP 651 HA TRP 651 -5.644 0.210 -6.358 151 HB2 TRP 651 2HB TRP 651 -4.914 1.753 -8.228 152 HB3 TRP 651 1HB TRP 651 -3.679 1.361 -7.036 153 HD1 TRP 651 HD TRP 651 -2.246 -1.071 -7.960 154 HE1 TRP 651 1HE TRP 651 -1.091 -1.276 -10.249 155 HE3 TRP 651 3HE TRP 651 -4.780 2.587 -10.476 156 HZ2 TRP 651 2HZ TRP 651 -1.234 -0.048 -12.788 157 HZ3 TRP 651 3HZ TRP 651 -4.210 3.009 -12.832 158 HH2 TRP 651 HH TRP 651 -2.473 1.718 -13.963 159 H ILE 652 H ILE 652 -6.756 -2.139 -7.231 160 HA ILE 652 HA ILE 652 -7.796 -1.691 -9.905 161 HB ILE 652 HB ILE 652 -7.172 -3.978 -9.172 162 HG12 ILE 652 2HG1 ILE 652 -10.089 -4.138 -9.705 163 HG13 ILE 652 1HG1 ILE 652 -9.118 -3.220 -10.852 164 HG21 ILE 652 1HG2 ILE 652 -9.459 -3.565 -7.276 165 HG22 ILE 652 2HG2 ILE 652 -7.823 -4.128 -6.932 166 HG23 ILE 652 3HG2 ILE 652 -8.954 -5.173 -7.791 167 HD11 ILE 652 1HD1 ILE 652 -7.878 -5.088 -11.474 168 HD12 ILE 652 2HD1 ILE 652 -9.528 -5.694 -11.324 169 HD13 ILE 652 3HD1 ILE 652 -8.356 -5.998 -10.041 170 HA PRO 653 HA PRO 653 -11.763 -0.949 -7.400 171 HB2 PRO 653 2HB PRO 653 -11.690 -0.592 -4.776 172 HB3 PRO 653 1HB PRO 653 -11.518 -2.215 -5.459 173 HG2 PRO 653 2HG PRO 653 -9.446 -0.396 -4.335 174 HG3 PRO 653 1HG PRO 653 -9.563 -2.160 -4.234 175 HD2 PRO 653 2HD PRO 653 -7.989 -0.681 -6.046 176 HD3 PRO 653 1HD PRO 653 -8.341 -2.415 -6.124 177 H ALA 654 H ALA 654 -8.959 0.934 -7.088 178 HA ALA 654 HA ALA 654 -8.641 3.191 -7.252 179 HB1 ALA 654 1HB ALA 654 -10.247 4.317 -8.299 180 HB2 ALA 654 2HB ALA 654 -11.316 4.198 -6.902 181 HB3 ALA 654 3HB ALA 654 -11.291 2.909 -8.106 182 H GLY 655 H GLY 655 -7.601 3.208 -5.280 183 HA2 GLY 655 2HA GLY 655 -7.450 4.561 -3.296 184 HA3 GLY 655 1HA GLY 655 -9.177 4.342 -3.067 185 H ILE 656 H ILE 656 -6.630 1.965 -3.728 186 HA ILE 656 HA ILE 656 -7.370 0.603 -1.219 187 HB ILE 656 HB ILE 656 -7.916 -0.651 -3.264 188 HG12 ILE 656 2HG1 ILE 656 -6.710 -2.762 -2.640 189 HG13 ILE 656 1HG1 ILE 656 -5.718 -1.807 -1.541 190 HG21 ILE 656 1HG2 ILE 656 -6.418 -1.190 -4.896 191 HG22 ILE 656 2HG2 ILE 656 -5.040 -1.129 -3.796 192 HG23 ILE 656 3HG2 ILE 656 -5.769 0.366 -4.378 193 HD11 ILE 656 1HD1 ILE 656 -8.408 -1.211 -0.951 194 HD12 ILE 656 2HD1 ILE 656 -7.241 -2.095 0.032 195 HD13 ILE 656 3HD1 ILE 656 -8.278 -2.963 -1.100 196 H GLY 657 H GLY 657 -4.670 1.482 -3.347 197 HA2 GLY 657 2HA GLY 657 -2.870 1.147 -1.035 198 HA3 GLY 657 1HA GLY 657 -2.418 0.533 -2.619 199 H VAL 658 H VAL 658 -2.857 2.359 -4.384 200 HA VAL 658 HA VAL 658 -0.918 4.344 -3.934 201 HB VAL 658 HB VAL 658 -1.807 3.394 -6.168 202 HG11 VAL 658 1HG1 VAL 658 -4.164 3.983 -5.782 203 HG12 VAL 658 2HG1 VAL 658 -3.534 4.677 -7.275 204 HG13 VAL 658 3HG1 VAL 658 -3.733 5.692 -5.847 205 HG21 VAL 658 1HG2 VAL 658 -1.220 6.330 -5.809 206 HG22 VAL 658 2HG2 VAL 658 -1.201 5.492 -7.360 207 HG23 VAL 658 3HG2 VAL 658 -0.056 5.037 -6.099 208 H THR 659 H THR 659 -4.415 4.338 -3.742 209 HA THR 659 HA THR 659 -4.316 7.007 -2.507 210 HB THR 659 HB THR 659 -6.446 5.781 -4.262 211 HG1 THR 659 1HG THR 659 -4.836 8.099 -4.443 212 HG21 THR 659 1HG2 THR 659 -7.855 7.657 -3.897 213 HG22 THR 659 2HG2 THR 659 -6.656 8.430 -2.860 214 HG23 THR 659 3HG2 THR 659 -7.476 6.965 -2.320 215 H GLY 660 H GLY 660 -5.157 3.698 -2.182 216 HA2 GLY 660 2HA GLY 660 -7.066 4.085 -0.053 217 HA3 GLY 660 1HA GLY 660 -6.411 2.554 -0.615 218 H VAL 661 H VAL 661 -3.787 2.715 -0.254 219 HA VAL 661 HA VAL 661 -3.533 2.667 2.624 220 HB VAL 661 HB VAL 661 -1.550 1.985 0.447 221 HG11 VAL 661 1HG1 VAL 661 -1.230 2.279 3.349 222 HG12 VAL 661 2HG1 VAL 661 -0.020 2.287 2.066 223 HG13 VAL 661 3HG1 VAL 661 -0.630 0.756 2.693 224 HG21 VAL 661 1HG2 VAL 661 -2.396 -0.159 2.199 225 HG22 VAL 661 2HG2 VAL 661 -2.417 -0.068 0.438 226 HG23 VAL 661 3HG2 VAL 661 -3.764 0.583 1.371 227 H VAL 662 H VAL 662 -1.625 4.139 0.011 228 HA VAL 662 HA VAL 662 0.061 5.742 1.391 229 HB VAL 662 HB VAL 662 -1.383 6.240 -1.190 230 HG11 VAL 662 1HG1 VAL 662 0.307 8.040 -1.621 231 HG12 VAL 662 2HG1 VAL 662 0.751 7.955 0.084 232 HG13 VAL 662 3HG1 VAL 662 -0.879 8.443 -0.378 233 HG21 VAL 662 1HG2 VAL 662 0.396 5.282 -2.212 234 HG22 VAL 662 2HG2 VAL 662 0.555 4.482 -0.648 235 HG23 VAL 662 3HG2 VAL 662 1.549 5.889 -1.023 236 H ILE 663 H ILE 663 -3.345 6.259 0.913 237 HA ILE 663 HA ILE 663 -3.351 8.965 1.812 238 HB ILE 663 HB ILE 663 -5.066 7.652 0.365 239 HG12 ILE 663 2HG1 ILE 663 -6.883 9.257 1.201 240 HG13 ILE 663 1HG1 ILE 663 -5.708 9.773 2.406 241 HG21 ILE 663 1HG2 ILE 663 -6.569 7.393 2.929 242 HG22 ILE 663 2HG2 ILE 663 -5.491 6.099 2.407 243 HG23 ILE 663 3HG2 ILE 663 -6.837 6.591 1.381 244 HD11 ILE 663 1HD1 ILE 663 -4.274 10.658 0.783 245 HD12 ILE 663 2HD1 ILE 663 -5.892 11.153 0.287 246 HD13 ILE 663 3HD1 ILE 663 -5.093 9.808 -0.527 247 H ALA 664 H ALA 664 -3.760 5.834 3.320 248 HA ALA 664 HA ALA 664 -4.550 6.938 5.869 249 HB1 ALA 664 1HB ALA 664 -3.922 4.387 6.451 250 HB2 ALA 664 2HB ALA 664 -4.216 4.242 4.718 251 HB3 ALA 664 3HB ALA 664 -5.476 4.878 5.776 252 H VAL 665 H VAL 665 -1.618 6.122 4.233 253 HA VAL 665 HA VAL 665 -0.009 5.966 6.623 254 HB VAL 665 HB VAL 665 1.178 6.357 3.910 255 HG11 VAL 665 1HG1 VAL 665 1.851 4.655 6.292 256 HG12 VAL 665 2HG1 VAL 665 2.646 6.148 5.795 257 HG13 VAL 665 3HG1 VAL 665 2.779 4.701 4.795 258 HG21 VAL 665 1HG2 VAL 665 -0.120 4.723 3.059 259 HG22 VAL 665 2HG2 VAL 665 -0.618 4.150 4.651 260 HG23 VAL 665 3HG2 VAL 665 0.936 3.653 3.981 261 H ILE 666 H ILE 666 -0.496 8.150 3.902 262 HA ILE 666 HA ILE 666 1.304 10.160 4.741 263 HB ILE 666 HB ILE 666 -1.069 10.163 2.887 264 HG12 ILE 666 2HG1 ILE 666 1.912 10.335 2.374 265 HG13 ILE 666 1HG1 ILE 666 0.919 8.898 2.157 266 HG21 ILE 666 1HG2 ILE 666 -0.968 12.398 3.643 267 HG22 ILE 666 2HG2 ILE 666 -0.148 12.378 2.082 268 HG23 ILE 666 3HG2 ILE 666 0.794 12.424 3.572 269 HD11 ILE 666 1HD1 ILE 666 1.280 9.864 0.022 270 HD12 ILE 666 2HD1 ILE 666 0.801 11.461 0.595 271 HD13 ILE 666 3HD1 ILE 666 -0.399 10.176 0.462 272 H ALA 667 H ALA 667 -2.087 9.496 5.327 273 HA ALA 667 HA ALA 667 -3.117 11.798 6.291 274 HB1 ALA 667 1HB ALA 667 -3.782 9.122 6.436 275 HB2 ALA 667 2HB ALA 667 -4.767 10.478 6.986 276 HB3 ALA 667 3HB ALA 667 -3.715 9.633 8.123 277 H LEU 668 H LEU 668 -0.729 9.776 7.880 278 HA LEU 668 HA LEU 668 -0.783 11.319 10.318 279 HB2 LEU 668 2HB LEU 668 -0.361 8.905 10.363 280 HB3 LEU 668 1HB LEU 668 1.071 9.132 9.375 281 HG LEU 668 HG LEU 668 2.313 9.989 11.115 282 HD11 LEU 668 1HD1 LEU 668 1.366 11.005 13.134 283 HD12 LEU 668 2HD1 LEU 668 -0.259 10.697 12.520 284 HD13 LEU 668 3HD1 LEU 668 0.806 11.817 11.670 285 HD21 LEU 668 1HD2 LEU 668 2.334 8.213 12.459 286 HD22 LEU 668 2HD2 LEU 668 0.897 7.663 11.596 287 HD23 LEU 668 3HD2 LEU 668 0.730 8.579 13.095 288 H PHE 669 H PHE 669 1.788 10.511 7.978 289 HA PHE 669 HA PHE 669 3.653 12.389 8.783 290 HB2 PHE 669 2HB PHE 669 3.806 10.482 7.011 291 HB3 PHE 669 1HB PHE 669 3.298 11.727 5.874 292 HD1 PHE 669 1HD PHE 669 4.917 12.957 4.808 293 HD2 PHE 669 2HD PHE 669 5.819 11.177 8.567 294 HE1 PHE 669 1HE PHE 669 7.245 13.728 4.610 295 HE2 PHE 669 2HE PHE 669 8.148 11.945 8.376 296 HZ PHE 669 HZ PHE 669 8.864 13.223 6.396 297 H ALA 670 H ALA 670 0.748 12.806 6.966 298 HA ALA 670 HA ALA 670 1.348 15.317 5.798 299 HB1 ALA 670 1HB ALA 670 -1.404 14.295 6.459 300 HB2 ALA 670 2HB ALA 670 -0.466 13.693 5.089 301 HB3 ALA 670 3HB ALA 670 -0.929 15.395 5.165 302 H ILE 671 H ILE 671 0.417 14.343 8.990 303 HA ILE 671 HA ILE 671 -0.587 16.946 9.736 304 HB ILE 671 HB ILE 671 0.123 14.707 11.606 305 HG12 ILE 671 2HG1 ILE 671 -1.372 13.773 9.950 306 HG13 ILE 671 1HG1 ILE 671 -2.266 14.026 11.445 307 HG21 ILE 671 1HG2 ILE 671 -1.712 17.080 11.793 308 HG22 ILE 671 2HG2 ILE 671 -0.256 16.760 12.736 309 HG23 ILE 671 3HG2 ILE 671 -1.693 15.763 12.965 310 HD11 ILE 671 1HD1 ILE 671 -2.784 15.042 8.822 311 HD12 ILE 671 2HD1 ILE 671 -2.579 16.375 9.959 312 HD13 ILE 671 3HD1 ILE 671 -3.782 15.124 10.273 313 H ALA 672 H ALA 672 2.289 15.022 10.232 314 HA ALA 672 HA ALA 672 3.604 16.652 12.077 315 HB1 ALA 672 1HB ALA 672 5.649 15.558 11.219 316 HB2 ALA 672 2HB ALA 672 4.681 14.876 9.909 317 HB3 ALA 672 3HB ALA 672 4.344 14.428 11.581 318 H LYS 673 H LYS 673 3.245 16.875 8.627 319 HA LYS 673 HA LYS 673 5.150 19.058 8.432 320 HB2 LYS 673 2HB LYS 673 4.196 18.996 5.961 321 HB3 LYS 673 1HB LYS 673 5.394 17.836 6.511 322 HG2 LYS 673 2HG LYS 673 4.025 16.127 6.154 323 HG3 LYS 673 1HG LYS 673 2.714 16.899 7.042 324 HD2 LYS 673 2HD LYS 673 1.654 17.182 5.113 325 HD3 LYS 673 1HD LYS 673 2.918 18.319 4.641 326 HE2 LYS 673 2HE LYS 673 3.886 15.667 4.249 327 HE3 LYS 673 1HE LYS 673 2.293 15.799 3.504 328 HZ1 LYS 673 1HZ LYS 673 3.489 18.084 2.726 329 HZ2 LYS 673 2HZ LYS 673 3.417 16.671 1.800 330 HZ3 LYS 673 3HZ LYS 673 4.792 17.004 2.726 331 H PHE 674 H PHE 674 1.812 18.593 8.925 332 HA PHE 674 HA PHE 674 1.079 21.232 7.931 333 HB2 PHE 674 2HB PHE 674 -0.360 19.145 7.662 334 HB3 PHE 674 1HB PHE 674 -0.698 19.284 9.384 335 HD1 PHE 674 1HD PHE 674 -1.711 21.483 10.208 336 HD2 PHE 674 2HD PHE 674 -1.619 20.329 6.113 337 HE1 PHE 674 1HE PHE 674 -3.529 23.068 9.725 338 HE2 PHE 674 2HE PHE 674 -3.437 21.913 5.621 339 HZ PHE 674 HZ PHE 674 -4.394 23.285 7.428 340 H VAL 675 H VAL 675 1.544 19.516 10.960 341 HA VAL 675 HA VAL 675 0.667 21.850 12.486 342 HB VAL 675 HB VAL 675 1.617 19.172 13.507 343 HG11 VAL 675 1HG1 VAL 675 0.416 19.902 15.580 344 HG12 VAL 675 2HG1 VAL 675 0.278 21.506 14.859 345 HG13 VAL 675 3HG1 VAL 675 1.869 20.829 15.204 346 HG21 VAL 675 1HG2 VAL 675 -0.861 18.862 13.972 347 HG22 VAL 675 2HG2 VAL 675 -0.348 18.729 12.290 348 HG23 VAL 675 3HG2 VAL 675 -1.129 20.204 12.860 349 H PHE 676 H PHE 676 3.524 20.560 11.208 350 HA PHE 676 HA PHE 676 5.103 22.329 12.951 351 HB2 PHE 676 2HB PHE 676 6.197 19.720 11.914 352 HB3 PHE 676 1HB PHE 676 6.866 20.764 13.160 353 HD1 PHE 676 1HD PHE 676 3.806 18.749 12.455 354 HD2 PHE 676 2HD PHE 676 6.568 20.182 15.359 355 HE1 PHE 676 1HE PHE 676 2.687 17.398 14.182 356 HE2 PHE 676 2HE PHE 676 5.453 18.837 17.090 357 HZ PHE 676 HZ PHE 676 3.510 17.442 16.503 Start of MODEL 19 1 H1 GLY 630 1HT GLY 630 8.893 -22.445 4.941 2 H2 GLY 630 2HT GLY 630 7.213 -22.625 5.002 3 H3 GLY 630 3HT GLY 630 7.925 -21.165 5.475 4 HA2 GLY 630 HA2 GLY 630 7.570 -22.265 2.765 5 HA3 GLY 630 HA3 GLY 630 7.133 -20.675 3.372 6 H SER 631 H SER 631 8.257 -20.023 1.353 7 HA SER 631 HA SER 631 11.162 -20.189 1.453 8 HB2 SER 631 2HB SER 631 9.149 -19.465 -0.611 9 HB3 SER 631 1HB SER 631 10.726 -18.683 -0.722 10 HG SER 631 HG SER 631 10.069 -21.131 -1.475 11 H ASP 632 H ASP 632 8.639 -17.671 1.372 12 HA ASP 632 HA ASP 632 10.447 -15.939 2.854 13 HB2 ASP 632 2HB ASP 632 10.724 -15.289 0.523 14 HB3 ASP 632 1HB ASP 632 8.989 -15.048 0.383 15 H LYS 633 H LYS 633 7.543 -14.754 1.415 16 HA LYS 633 HA LYS 633 6.446 -13.808 3.788 17 HB2 LYS 633 2HB LYS 633 4.331 -13.571 2.477 18 HB3 LYS 633 1HB LYS 633 5.744 -12.883 1.688 19 HG2 LYS 633 2HG LYS 633 5.919 -14.959 0.329 20 HG3 LYS 633 1HG LYS 633 4.397 -15.495 1.042 21 HD2 LYS 633 2HD LYS 633 4.032 -14.464 -1.142 22 HD3 LYS 633 1HD LYS 633 3.275 -13.518 0.141 23 HE2 LYS 633 2HE LYS 633 5.042 -11.909 0.090 24 HE3 LYS 633 1HE LYS 633 5.995 -12.912 -1.002 25 HZ1 LYS 633 1HZ LYS 633 3.326 -11.909 -1.775 26 HZ2 LYS 633 2HZ LYS 633 4.575 -12.462 -2.772 27 HZ3 LYS 633 3HZ LYS 633 4.715 -10.967 -1.993 28 H THR 634 H THR 634 5.895 -16.841 2.076 29 HA THR 634 HA THR 634 5.178 -18.230 4.388 30 HB THR 634 HB THR 634 2.722 -18.547 3.059 31 HG1 THR 634 1HG THR 634 2.982 -15.830 3.698 32 HG21 THR 634 1HG2 THR 634 3.533 -17.329 5.660 33 HG22 THR 634 2HG2 THR 634 2.650 -18.823 5.346 34 HG23 THR 634 3HG2 THR 634 1.856 -17.265 5.118 35 H LEU 635 H LEU 635 5.331 -18.001 1.043 36 HA LEU 635 HA LEU 635 6.511 -20.425 0.581 37 HB2 LEU 635 2HB LEU 635 4.599 -21.646 1.168 38 HB3 LEU 635 1HB LEU 635 3.527 -20.535 0.347 39 HG LEU 635 HG LEU 635 3.860 -22.819 -0.723 40 HD11 LEU 635 1HD1 LEU 635 4.643 -20.805 -2.741 41 HD12 LEU 635 2HD1 LEU 635 3.188 -20.470 -1.805 42 HD13 LEU 635 3HD1 LEU 635 3.309 -21.958 -2.741 43 HD21 LEU 635 1HD2 LEU 635 5.932 -22.711 -2.310 44 HD22 LEU 635 2HD2 LEU 635 6.108 -23.303 -0.659 45 HD23 LEU 635 3HD2 LEU 635 6.591 -21.655 -1.060 46 HA PRO 636 HA PRO 636 4.833 -18.623 -3.648 47 HB2 PRO 636 2HB PRO 636 3.907 -15.989 -2.664 48 HB3 PRO 636 1HB PRO 636 3.193 -17.048 -3.882 49 HG2 PRO 636 2HG PRO 636 2.114 -16.750 -1.436 50 HG3 PRO 636 1HG PRO 636 2.033 -18.279 -2.327 51 HD2 PRO 636 2HD PRO 636 3.742 -17.518 -0.014 52 HD3 PRO 636 1HD PRO 636 3.050 -19.091 -0.441 53 H ASP 637 H ASP 637 6.168 -16.946 -0.942 54 HA ASP 637 HA ASP 637 7.731 -15.234 -0.801 55 HB2 ASP 637 2HB ASP 637 9.866 -16.235 -0.988 56 HB3 ASP 637 1HB ASP 637 8.743 -17.529 -0.591 57 H GLN 638 H GLN 638 6.249 -14.433 -2.859 58 HA GLN 638 HA GLN 638 6.197 -13.193 -4.774 59 HB2 GLN 638 2HB GLN 638 8.937 -12.544 -3.694 60 HB3 GLN 638 1HB GLN 638 8.249 -11.723 -5.088 61 HG2 GLN 638 2HG GLN 638 6.240 -11.489 -3.269 62 HG3 GLN 638 1HG GLN 638 7.670 -11.409 -2.241 63 HE21 GLN 638 1HE2 GLN 638 5.610 -9.407 -3.199 64 HE22 GLN 638 2HE2 GLN 638 6.553 -8.083 -3.783 65 H GLY 639 H GLY 639 6.404 -15.635 -5.601 66 HA2 GLY 639 2HA GLY 639 8.604 -15.635 -7.576 67 HA3 GLY 639 1HA GLY 639 8.000 -17.103 -6.822 68 H ASP 640 H ASP 640 5.266 -16.681 -6.971 69 HA ASP 640 HA ASP 640 4.858 -16.962 -9.855 70 HB2 ASP 640 2HB ASP 640 3.893 -18.380 -7.605 71 HB3 ASP 640 1HB ASP 640 2.503 -17.568 -8.317 72 H ASN 641 H ASN 641 5.036 -14.597 -10.072 73 HA ASN 641 HA ASN 641 4.112 -12.557 -10.460 74 HB2 ASN 641 2HB ASN 641 2.284 -14.241 -11.355 75 HB3 ASN 641 1HB ASN 641 1.358 -13.623 -9.991 76 HD21 ASN 641 1HD2 ASN 641 0.043 -13.025 -11.983 77 HD22 ASN 641 2HD2 ASN 641 0.322 -11.447 -12.629 78 H ASP 642 H ASP 642 5.004 -11.792 -8.467 79 HA ASP 642 HA ASP 642 3.730 -11.900 -5.980 80 HB2 ASP 642 2HB ASP 642 5.095 -9.803 -5.498 81 HB3 ASP 642 1HB ASP 642 6.001 -11.222 -6.013 82 H ASN 643 H ASN 643 3.098 -9.971 -8.772 83 HA ASN 643 HA ASN 643 1.813 -7.763 -7.697 84 HB2 ASN 643 2HB ASN 643 1.244 -9.268 -10.251 85 HB3 ASN 643 1HB ASN 643 0.577 -7.684 -9.868 86 HD21 ASN 643 1HD2 ASN 643 3.454 -9.472 -10.661 87 HD22 ASN 643 2HD2 ASN 643 4.429 -8.108 -11.076 88 H TRP 644 H TRP 644 0.790 -11.051 -7.700 89 HA TRP 644 HA TRP 644 -1.945 -10.936 -7.776 90 HB2 TRP 644 2HB TRP 644 -1.988 -12.972 -6.552 91 HB3 TRP 644 1HB TRP 644 -0.486 -12.987 -7.469 92 HD1 TRP 644 HD TRP 644 1.739 -12.081 -5.918 93 HE1 TRP 644 1HE TRP 644 2.310 -12.756 -3.501 94 HE3 TRP 644 3HE TRP 644 -2.866 -13.722 -4.430 95 HZ2 TRP 644 2HZ TRP 644 0.981 -13.842 -1.259 96 HZ3 TRP 644 3HZ TRP 644 -3.133 -14.564 -2.133 97 HH2 TRP 644 HH TRP 644 -1.248 -14.623 -0.581 98 H TRP 645 H TRP 645 0.160 -9.759 -5.269 99 HA TRP 645 HA TRP 645 -2.121 -8.521 -3.960 100 HB2 TRP 645 2HB TRP 645 -0.922 -10.869 -2.915 101 HB3 TRP 645 1HB TRP 645 -0.439 -9.535 -1.873 102 HD1 TRP 645 HD TRP 645 -3.686 -11.109 -3.287 103 HE1 TRP 645 1HE TRP 645 -5.565 -10.726 -1.570 104 HE3 TRP 645 3HE TRP 645 -1.122 -8.265 0.100 105 HZ2 TRP 645 2HZ TRP 645 -5.912 -9.395 0.896 106 HZ3 TRP 645 3HZ TRP 645 -2.300 -7.477 2.111 107 HH2 TRP 645 HH TRP 645 -4.646 -8.030 2.499 108 H THR 646 H THR 646 0.427 -7.811 -5.479 109 HA THR 646 HA THR 646 1.102 -5.548 -3.831 110 HB THR 646 HB THR 646 2.608 -7.402 -3.023 111 HG1 THR 646 1HG THR 646 3.211 -5.228 -2.792 112 HG21 THR 646 1HG2 THR 646 3.132 -7.725 -5.795 113 HG22 THR 646 2HG2 THR 646 3.763 -8.647 -4.431 114 HG23 THR 646 3HG2 THR 646 4.617 -7.211 -4.994 115 H GLY 647 H GLY 647 -0.027 -6.188 -6.506 116 HA2 GLY 647 2HA GLY 647 1.706 -4.370 -8.023 117 HA3 GLY 647 1HA GLY 647 1.261 -5.905 -8.754 118 H TRP 648 H TRP 648 -0.869 -6.249 -9.429 119 HA TRP 648 HA TRP 648 -2.237 -3.897 -10.281 120 HB2 TRP 648 2HB TRP 648 -3.907 -5.483 -11.203 121 HB3 TRP 648 1HB TRP 648 -2.258 -5.881 -11.676 122 HD1 TRP 648 HD TRP 648 -1.189 -8.114 -10.651 123 HE1 TRP 648 1HE TRP 648 -2.265 -10.201 -9.598 124 HE3 TRP 648 3HE TRP 648 -5.867 -6.254 -9.759 125 HZ2 TRP 648 2HZ TRP 648 -4.764 -10.960 -8.530 126 HZ3 TRP 648 3HZ TRP 648 -7.543 -7.727 -8.719 127 HH2 TRP 648 HH TRP 648 -7.001 -10.031 -8.119 128 H ARG 649 H ARG 649 -2.434 -5.909 -7.495 129 HA ARG 649 HA ARG 649 -5.118 -5.075 -6.793 130 HB2 ARG 649 2HB ARG 649 -3.311 -7.167 -5.996 131 HB3 ARG 649 1HB ARG 649 -3.844 -6.282 -4.574 132 HG2 ARG 649 2HG ARG 649 -6.157 -6.692 -5.140 133 HG3 ARG 649 1HG ARG 649 -5.674 -7.487 -6.640 134 HD2 ARG 649 2HD ARG 649 -5.518 -9.417 -5.554 135 HD3 ARG 649 1HD ARG 649 -4.260 -8.732 -4.527 136 HE ARG 649 HE ARG 649 -5.797 -8.509 -2.839 137 HH11 ARG 649 1HH1 ARG 649 -7.472 -9.165 -5.830 138 HH12 ARG 649 2HH1 ARG 649 -9.007 -9.398 -5.065 139 HH21 ARG 649 1HH2 ARG 649 -7.818 -8.813 -1.831 140 HH22 ARG 649 2HH2 ARG 649 -9.204 -9.198 -2.795 141 H GLN 650 H GLN 650 -1.995 -3.851 -6.529 142 HA GLN 650 HA GLN 650 -2.085 -2.634 -4.003 143 HB2 GLN 650 2HB GLN 650 -0.144 -2.966 -5.799 144 HB3 GLN 650 1HB GLN 650 -0.597 -1.321 -6.218 145 HG2 GLN 650 2HG GLN 650 -0.090 -1.995 -3.367 146 HG3 GLN 650 1HG GLN 650 1.274 -1.795 -4.466 147 HE21 GLN 650 1HE2 GLN 650 0.966 0.229 -5.924 148 HE22 GLN 650 2HE2 GLN 650 0.548 1.675 -5.076 149 H TRP 651 H TRP 651 -3.776 -1.954 -6.871 150 HA TRP 651 HA TRP 651 -5.126 0.256 -5.714 151 HB2 TRP 651 2HB TRP 651 -4.443 1.921 -7.465 152 HB3 TRP 651 1HB TRP 651 -3.189 1.522 -6.299 153 HD1 TRP 651 HD TRP 651 -1.907 -1.022 -7.538 154 HE1 TRP 651 1HE TRP 651 -0.637 -0.911 -9.765 155 HE3 TRP 651 3HE TRP 651 -3.971 3.255 -9.430 156 HZ2 TRP 651 2HZ TRP 651 -0.524 0.768 -12.035 157 HZ3 TRP 651 3HZ TRP 651 -3.225 4.046 -11.637 158 HH2 TRP 651 HH TRP 651 -1.537 2.827 -12.911 159 H ILE 652 H ILE 652 -6.218 -2.007 -6.566 160 HA ILE 652 HA ILE 652 -7.113 -1.676 -9.313 161 HB ILE 652 HB ILE 652 -6.538 -3.933 -8.450 162 HG12 ILE 652 2HG1 ILE 652 -8.813 -4.960 -9.257 163 HG13 ILE 652 1HG1 ILE 652 -9.216 -3.284 -9.618 164 HG21 ILE 652 1HG2 ILE 652 -8.399 -5.065 -7.122 165 HG22 ILE 652 2HG2 ILE 652 -8.922 -3.435 -6.702 166 HG23 ILE 652 3HG2 ILE 652 -7.311 -3.989 -6.246 167 HD11 ILE 652 1HD1 ILE 652 -7.998 -4.968 -11.334 168 HD12 ILE 652 2HD1 ILE 652 -6.602 -4.172 -10.607 169 HD13 ILE 652 3HD1 ILE 652 -7.854 -3.211 -11.394 170 HA PRO 653 HA PRO 653 -11.203 -0.838 -7.037 171 HB2 PRO 653 2HB PRO 653 -11.252 -0.344 -4.435 172 HB3 PRO 653 1HB PRO 653 -11.046 -2.000 -5.023 173 HG2 PRO 653 2HG PRO 653 -9.026 -0.111 -3.914 174 HG3 PRO 653 1HG PRO 653 -9.153 -1.866 -3.705 175 HD2 PRO 653 2HD PRO 653 -7.485 -0.519 -5.526 176 HD3 PRO 653 1HD PRO 653 -7.865 -2.249 -5.529 177 H ALA 654 H ALA 654 -8.410 1.067 -6.631 178 HA ALA 654 HA ALA 654 -8.082 3.314 -6.891 179 HB1 ALA 654 1HB ALA 654 -10.595 2.988 -7.995 180 HB2 ALA 654 2HB ALA 654 -9.619 4.456 -8.041 181 HB3 ALA 654 3HB ALA 654 -10.835 4.245 -6.781 182 H GLY 655 H GLY 655 -7.182 3.482 -4.869 183 HA2 GLY 655 2HA GLY 655 -7.196 4.933 -2.948 184 HA3 GLY 655 1HA GLY 655 -8.928 4.669 -2.817 185 H ILE 656 H ILE 656 -6.328 2.311 -3.242 186 HA ILE 656 HA ILE 656 -7.142 1.057 -0.699 187 HB ILE 656 HB ILE 656 -7.587 -0.295 -2.719 188 HG12 ILE 656 2HG1 ILE 656 -6.428 -2.360 -1.940 189 HG13 ILE 656 1HG1 ILE 656 -5.444 -1.364 -0.872 190 HG21 ILE 656 1HG2 ILE 656 -5.466 0.694 -3.828 191 HG22 ILE 656 2HG2 ILE 656 -5.963 -0.955 -4.212 192 HG23 ILE 656 3HG2 ILE 656 -4.652 -0.670 -3.065 193 HD11 ILE 656 1HD1 ILE 656 -7.063 -1.195 0.652 194 HD12 ILE 656 2HD1 ILE 656 -7.765 -2.585 -0.176 195 HD13 ILE 656 3HD1 ILE 656 -8.319 -0.956 -0.563 196 H GLY 657 H GLY 657 -4.389 1.867 -2.781 197 HA2 GLY 657 2HA GLY 657 -2.657 1.743 -0.402 198 HA3 GLY 657 1HA GLY 657 -2.156 0.962 -1.896 199 H VAL 658 H VAL 658 -2.603 2.607 -3.854 200 HA VAL 658 HA VAL 658 -0.661 4.630 -3.582 201 HB VAL 658 HB VAL 658 -1.445 3.462 -5.722 202 HG11 VAL 658 1HG1 VAL 658 -3.870 4.072 -5.301 203 HG12 VAL 658 2HG1 VAL 658 -3.266 4.315 -6.939 204 HG13 VAL 658 3HG1 VAL 658 -3.450 5.693 -5.855 205 HG21 VAL 658 1HG2 VAL 658 -0.364 5.042 -6.922 206 HG22 VAL 658 2HG2 VAL 658 -0.061 5.737 -5.330 207 HG23 VAL 658 3HG2 VAL 658 -1.384 6.349 -6.321 208 H THR 659 H THR 659 -4.154 4.611 -3.429 209 HA THR 659 HA THR 659 -4.101 7.397 -2.482 210 HB THR 659 HB THR 659 -6.156 5.969 -4.169 211 HG1 THR 659 1HG THR 659 -4.295 7.252 -5.026 212 HG21 THR 659 1HG2 THR 659 -7.631 7.852 -3.988 213 HG22 THR 659 2HG2 THR 659 -6.520 8.665 -2.885 214 HG23 THR 659 3HG2 THR 659 -7.342 7.190 -2.379 215 H GLY 660 H GLY 660 -4.909 4.131 -1.840 216 HA2 GLY 660 2HA GLY 660 -6.863 4.692 0.206 217 HA3 GLY 660 1HA GLY 660 -6.175 3.123 -0.195 218 H VAL 661 H VAL 661 -3.562 3.379 0.193 219 HA VAL 661 HA VAL 661 -3.358 3.592 3.068 220 HB VAL 661 HB VAL 661 -1.320 2.762 0.994 221 HG11 VAL 661 1HG1 VAL 661 -1.092 3.237 3.900 222 HG12 VAL 661 2HG1 VAL 661 0.136 3.309 2.636 223 HG13 VAL 661 3HG1 VAL 661 -0.364 1.750 3.293 224 HG21 VAL 661 1HG2 VAL 661 -3.524 1.397 1.935 225 HG22 VAL 661 2HG2 VAL 661 -2.207 0.784 2.934 226 HG23 VAL 661 3HG2 VAL 661 -2.103 0.679 1.177 227 H VAL 662 H VAL 662 -1.475 4.873 0.343 228 HA VAL 662 HA VAL 662 0.178 6.631 1.555 229 HB VAL 662 HB VAL 662 -1.348 6.947 -1.014 230 HG11 VAL 662 1HG1 VAL 662 0.902 8.665 0.042 231 HG12 VAL 662 2HG1 VAL 662 -0.747 9.182 -0.305 232 HG13 VAL 662 3HG1 VAL 662 0.319 8.689 -1.622 233 HG21 VAL 662 1HG2 VAL 662 0.091 5.285 -1.508 234 HG22 VAL 662 2HG2 VAL 662 1.185 5.695 -0.187 235 HG23 VAL 662 3HG2 VAL 662 1.241 6.610 -1.693 236 H ILE 663 H ILE 663 -3.257 7.003 1.097 237 HA ILE 663 HA ILE 663 -3.295 9.770 1.856 238 HB ILE 663 HB ILE 663 -4.946 8.345 0.377 239 HG12 ILE 663 2HG1 ILE 663 -6.738 10.148 1.512 240 HG13 ILE 663 1HG1 ILE 663 -5.158 10.840 1.864 241 HG21 ILE 663 1HG2 ILE 663 -5.560 6.969 2.453 242 HG22 ILE 663 2HG2 ILE 663 -6.864 7.523 1.402 243 HG23 ILE 663 3HG2 ILE 663 -6.533 8.365 2.917 244 HD11 ILE 663 1HD1 ILE 663 -5.205 11.704 -0.172 245 HD12 ILE 663 2HD1 ILE 663 -6.621 10.750 -0.614 246 HD13 ILE 663 3HD1 ILE 663 -5.005 10.066 -0.796 247 H ALA 664 H ALA 664 -3.868 6.689 3.455 248 HA ALA 664 HA ALA 664 -4.810 7.922 5.887 249 HB1 ALA 664 1HB ALA 664 -4.335 5.401 6.645 250 HB2 ALA 664 2HB ALA 664 -4.434 5.162 4.900 251 HB3 ALA 664 3HB ALA 664 -5.788 5.885 5.769 252 H VAL 665 H VAL 665 -1.756 6.851 4.595 253 HA VAL 665 HA VAL 665 -0.447 6.859 7.171 254 HB VAL 665 HB VAL 665 0.416 5.236 5.691 255 HG11 VAL 665 1HG1 VAL 665 0.007 5.515 3.516 256 HG12 VAL 665 2HG1 VAL 665 1.500 6.454 3.471 257 HG13 VAL 665 3HG1 VAL 665 -0.049 7.271 3.668 258 HG21 VAL 665 1HG2 VAL 665 2.324 7.556 5.543 259 HG22 VAL 665 2HG2 VAL 665 2.734 5.845 5.432 260 HG23 VAL 665 3HG2 VAL 665 2.113 6.507 6.944 261 H ILE 666 H ILE 666 -0.773 8.892 4.355 262 HA ILE 666 HA ILE 666 1.164 10.833 5.222 263 HB ILE 666 HB ILE 666 -0.878 10.785 3.009 264 HG12 ILE 666 2HG1 ILE 666 1.110 9.304 2.786 265 HG13 ILE 666 1HG1 ILE 666 1.044 10.549 1.543 266 HG21 ILE 666 1HG2 ILE 666 0.332 12.827 2.157 267 HG22 ILE 666 2HG2 ILE 666 1.074 12.954 3.752 268 HG23 ILE 666 3HG2 ILE 666 -0.677 13.076 3.582 269 HD11 ILE 666 1HD1 ILE 666 2.556 11.370 3.884 270 HD12 ILE 666 2HD1 ILE 666 2.989 11.419 2.175 271 HD13 ILE 666 3HD1 ILE 666 3.212 9.934 3.099 272 H ALA 667 H ALA 667 -2.327 10.439 5.196 273 HA ALA 667 HA ALA 667 -3.319 12.878 5.777 274 HB1 ALA 667 1HB ALA 667 -4.045 10.158 6.745 275 HB2 ALA 667 2HB ALA 667 -4.914 11.236 5.655 276 HB3 ALA 667 3HB ALA 667 -4.898 11.561 7.390 277 H LEU 668 H LEU 668 -1.425 10.867 7.938 278 HA LEU 668 HA LEU 668 -1.860 12.590 10.210 279 HB2 LEU 668 2HB LEU 668 -1.599 10.188 10.523 280 HB3 LEU 668 1HB LEU 668 -0.011 10.246 9.782 281 HG LEU 668 HG LEU 668 0.979 11.193 11.639 282 HD11 LEU 668 1HD1 LEU 668 -0.214 12.415 13.386 283 HD12 LEU 668 2HD1 LEU 668 -1.742 12.114 12.558 284 HD13 LEU 668 3HD1 LEU 668 -0.512 13.123 11.797 285 HD21 LEU 668 1HD2 LEU 668 -1.040 9.990 13.368 286 HD22 LEU 668 2HD2 LEU 668 0.657 9.569 13.141 287 HD23 LEU 668 3HD2 LEU 668 -0.560 8.960 12.018 288 H PHE 669 H PHE 669 1.077 11.504 8.487 289 HA PHE 669 HA PHE 669 2.829 13.386 9.526 290 HB2 PHE 669 2HB PHE 669 3.070 11.323 7.781 291 HB3 PHE 669 1HB PHE 669 3.239 12.687 6.681 292 HD1 PHE 669 1HD PHE 669 4.927 14.534 7.442 293 HD2 PHE 669 2HD PHE 669 4.929 10.528 8.877 294 HE1 PHE 669 1HE PHE 669 7.284 14.776 8.104 295 HE2 PHE 669 2HE PHE 669 7.286 10.763 9.542 296 HZ PHE 669 HZ PHE 669 8.467 12.889 9.156 297 H ALA 670 H ALA 670 0.376 13.722 7.129 298 HA ALA 670 HA ALA 670 1.308 16.086 5.889 299 HB1 ALA 670 1HB ALA 670 -0.440 14.460 5.015 300 HB2 ALA 670 2HB ALA 670 -0.794 16.180 4.825 301 HB3 ALA 670 3HB ALA 670 -1.574 15.257 6.109 302 H ILE 671 H ILE 671 -0.243 15.460 8.924 303 HA ILE 671 HA ILE 671 -1.223 18.160 9.240 304 HB ILE 671 HB ILE 671 -0.981 16.103 11.409 305 HG12 ILE 671 2HG1 ILE 671 -2.172 15.015 9.613 306 HG13 ILE 671 1HG1 ILE 671 -3.332 15.468 10.857 307 HG21 ILE 671 1HG2 ILE 671 -2.767 18.488 11.003 308 HG22 ILE 671 2HG2 ILE 671 -1.479 18.305 12.194 309 HG23 ILE 671 3HG2 ILE 671 -2.939 17.324 12.317 310 HD11 ILE 671 1HD1 ILE 671 -4.528 16.507 9.321 311 HD12 ILE 671 2HD1 ILE 671 -3.317 16.132 8.094 312 HD13 ILE 671 3HD1 ILE 671 -3.186 17.616 9.038 313 H ALA 672 H ALA 672 1.382 16.175 10.457 314 HA ALA 672 HA ALA 672 2.425 17.913 12.368 315 HB1 ALA 672 1HB ALA 672 4.448 16.616 12.167 316 HB2 ALA 672 2HB ALA 672 3.919 15.999 10.599 317 HB3 ALA 672 3HB ALA 672 3.044 15.553 12.063 318 H LYS 673 H LYS 673 2.760 17.818 8.908 319 HA LYS 673 HA LYS 673 4.802 19.882 8.909 320 HB2 LYS 673 2HB LYS 673 4.385 19.622 6.322 321 HB3 LYS 673 1HB LYS 673 5.321 18.429 7.209 322 HG2 LYS 673 2HG LYS 673 3.907 16.814 6.661 323 HG3 LYS 673 1HG LYS 673 2.528 17.741 7.248 324 HD2 LYS 673 2HD LYS 673 1.882 17.799 5.108 325 HD3 LYS 673 1HD LYS 673 3.130 19.030 4.913 326 HE2 LYS 673 2HE LYS 673 4.736 17.276 4.289 327 HE3 LYS 673 1HE LYS 673 3.461 16.068 4.449 328 HZ1 LYS 673 1HZ LYS 673 4.078 17.251 2.154 329 HZ2 LYS 673 2HZ LYS 673 2.876 18.311 2.698 330 HZ3 LYS 673 3HZ LYS 673 2.529 16.667 2.505 331 H PHE 674 H PHE 674 1.402 19.639 8.756 332 HA PHE 674 HA PHE 674 1.098 22.220 7.424 333 HB2 PHE 674 2HB PHE 674 -0.386 20.143 7.021 334 HB3 PHE 674 1HB PHE 674 -1.143 20.569 8.552 335 HD1 PHE 674 1HD PHE 674 -2.430 22.631 8.770 336 HD2 PHE 674 2HD PHE 674 -0.740 21.449 5.048 337 HE1 PHE 674 1HE PHE 674 -3.886 24.236 7.604 338 HE2 PHE 674 2HE PHE 674 -2.192 23.052 3.874 339 HZ PHE 674 HZ PHE 674 -3.767 24.449 5.153 340 H VAL 675 H VAL 675 0.798 20.737 10.585 341 HA VAL 675 HA VAL 675 -0.277 23.209 11.716 342 HB VAL 675 HB VAL 675 0.290 20.582 13.094 343 HG11 VAL 675 1HG1 VAL 675 -0.730 23.200 13.999 344 HG12 VAL 675 2HG1 VAL 675 0.139 21.949 14.889 345 HG13 VAL 675 3HG1 VAL 675 -1.591 21.779 14.592 346 HG21 VAL 675 1HG2 VAL 675 -2.313 21.686 12.044 347 HG22 VAL 675 2HG2 VAL 675 -2.115 20.192 12.960 348 HG23 VAL 675 3HG2 VAL 675 -1.407 20.340 11.352 349 H PHE 676 H PHE 676 2.719 21.970 11.019 350 HA PHE 676 HA PHE 676 3.958 23.708 13.031 351 HB2 PHE 676 2HB PHE 676 5.125 21.015 12.332 352 HB3 PHE 676 1HB PHE 676 5.639 22.116 13.603 353 HD1 PHE 676 1HD PHE 676 2.631 20.182 12.538 354 HD2 PHE 676 2HD PHE 676 4.969 21.695 15.756 355 HE1 PHE 676 1HE PHE 676 1.184 18.999 14.139 356 HE2 PHE 676 2HE PHE 676 3.525 20.518 17.363 357 HZ PHE 676 HZ PHE 676 1.630 19.167 16.556 Start of MODEL 20 1 H1 GLY 630 1HT GLY 630 10.752 -23.427 1.155 2 H2 GLY 630 2HT GLY 630 10.452 -23.435 -0.509 3 H3 GLY 630 3HT GLY 630 9.254 -23.950 0.568 4 HA2 GLY 630 HA2 GLY 630 8.946 -21.658 -0.383 5 HA3 GLY 630 HA3 GLY 630 8.849 -21.803 1.365 6 H SER 631 H SER 631 9.324 -19.356 0.355 7 HA SER 631 HA SER 631 12.203 -18.948 0.831 8 HB2 SER 631 2HB SER 631 10.397 -17.854 -1.212 9 HB3 SER 631 1HB SER 631 11.385 -16.637 -0.404 10 HG SER 631 HG SER 631 13.214 -17.695 -1.055 11 H ASP 632 H ASP 632 8.992 -17.450 1.231 12 HA ASP 632 HA ASP 632 9.923 -16.369 3.774 13 HB2 ASP 632 2HB ASP 632 10.112 -14.540 2.177 14 HB3 ASP 632 1HB ASP 632 8.428 -14.758 1.725 15 H LYS 633 H LYS 633 6.903 -15.490 2.343 16 HA LYS 633 HA LYS 633 5.344 -16.218 4.520 17 HB2 LYS 633 2HB LYS 633 3.410 -15.979 2.985 18 HB3 LYS 633 1HB LYS 633 4.542 -14.637 2.878 19 HG2 LYS 633 2HG LYS 633 5.545 -16.092 0.919 20 HG3 LYS 633 1HG LYS 633 3.907 -16.750 0.893 21 HD2 LYS 633 2HD LYS 633 4.400 -13.790 0.891 22 HD3 LYS 633 1HD LYS 633 4.428 -14.725 -0.605 23 HE2 LYS 633 2HE LYS 633 2.216 -14.557 -0.701 24 HE3 LYS 633 1HE LYS 633 2.112 -15.517 0.774 25 HZ1 LYS 633 1HZ LYS 633 0.959 -13.556 1.234 26 HZ2 LYS 633 2HZ LYS 633 2.124 -12.573 0.503 27 HZ3 LYS 633 3HZ LYS 633 2.461 -13.330 1.978 28 H THR 634 H THR 634 6.186 -18.037 1.627 29 HA THR 634 HA THR 634 5.877 -20.517 2.832 30 HB THR 634 HB THR 634 3.809 -20.868 0.970 31 HG1 THR 634 1HG THR 634 2.500 -19.240 1.206 32 HG21 THR 634 1HG2 THR 634 2.880 -22.003 2.629 33 HG22 THR 634 2HG2 THR 634 2.851 -20.589 3.683 34 HG23 THR 634 3HG2 THR 634 4.302 -21.585 3.584 35 H LEU 635 H LEU 635 6.061 -18.638 0.046 36 HA LEU 635 HA LEU 635 8.108 -20.043 -1.142 37 HB2 LEU 635 2HB LEU 635 6.723 -21.875 -1.630 38 HB3 LEU 635 1HB LEU 635 5.388 -20.852 -2.109 39 HG LEU 635 HG LEU 635 6.597 -22.105 -3.959 40 HD11 LEU 635 1HD1 LEU 635 5.939 -20.547 -5.460 41 HD12 LEU 635 2HD1 LEU 635 6.762 -19.229 -4.626 42 HD13 LEU 635 3HD1 LEU 635 5.215 -19.823 -4.025 43 HD21 LEU 635 1HD2 LEU 635 8.739 -20.174 -3.140 44 HD22 LEU 635 2HD2 LEU 635 8.617 -20.743 -4.804 45 HD23 LEU 635 3HD2 LEU 635 8.863 -21.897 -3.494 46 HA PRO 636 HA PRO 636 6.216 -16.909 -4.378 47 HB2 PRO 636 2HB PRO 636 4.288 -15.533 -2.604 48 HB3 PRO 636 1HB PRO 636 4.125 -15.989 -4.301 49 HG2 PRO 636 2HG PRO 636 2.821 -17.291 -2.342 50 HG3 PRO 636 1HG PRO 636 3.397 -18.111 -3.803 51 HD2 PRO 636 2HD PRO 636 4.507 -18.152 -1.040 52 HD3 PRO 636 1HD PRO 636 4.488 -19.425 -2.272 53 H ASP 637 H ASP 637 6.593 -16.539 -0.967 54 HA ASP 637 HA ASP 637 7.406 -14.816 0.336 55 HB2 ASP 637 2HB ASP 637 9.746 -14.904 0.250 56 HB3 ASP 637 1HB ASP 637 9.214 -16.433 -0.436 57 H GLN 638 H GLN 638 5.834 -13.634 -1.552 58 HA GLN 638 HA GLN 638 5.484 -11.744 -2.821 59 HB2 GLN 638 2HB GLN 638 5.907 -9.713 -1.489 60 HB3 GLN 638 1HB GLN 638 5.177 -11.002 -0.543 61 HG2 GLN 638 2HG GLN 638 7.007 -11.279 0.761 62 HG3 GLN 638 1HG GLN 638 8.129 -10.818 -0.517 63 HE21 GLN 638 1HE2 GLN 638 9.269 -9.191 0.285 64 HE22 GLN 638 2HE2 GLN 638 8.614 -7.762 1.002 65 H GLY 639 H GLY 639 7.040 -12.456 -4.513 66 HA2 GLY 639 2HA GLY 639 8.869 -10.304 -5.075 67 HA3 GLY 639 1HA GLY 639 9.678 -11.829 -4.752 68 H ASP 640 H ASP 640 7.985 -13.633 -5.955 69 HA ASP 640 HA ASP 640 8.661 -13.230 -8.717 70 HB2 ASP 640 2HB ASP 640 7.127 -15.467 -7.376 71 HB3 ASP 640 1HB ASP 640 7.704 -15.484 -9.040 72 H ASN 641 H ASN 641 5.698 -13.270 -6.807 73 HA ASN 641 HA ASN 641 4.331 -11.808 -8.892 74 HB2 ASN 641 2HB ASN 641 3.789 -14.656 -8.319 75 HB3 ASN 641 1HB ASN 641 2.367 -13.623 -8.418 76 HD21 ASN 641 1HD2 ASN 641 1.802 -12.706 -10.363 77 HD22 ASN 641 2HD2 ASN 641 2.517 -13.180 -11.863 78 H ASP 642 H ASP 642 5.091 -10.888 -6.450 79 HA ASP 642 HA ASP 642 3.186 -11.193 -4.392 80 HB2 ASP 642 2HB ASP 642 4.230 -9.265 -3.369 81 HB3 ASP 642 1HB ASP 642 5.482 -10.273 -4.083 82 H ASN 643 H ASN 643 3.348 -9.115 -7.192 83 HA ASN 643 HA ASN 643 1.559 -7.121 -6.588 84 HB2 ASN 643 2HB ASN 643 1.905 -8.580 -9.210 85 HB3 ASN 643 1HB ASN 643 1.065 -7.044 -9.021 86 HD21 ASN 643 1HD2 ASN 643 2.745 -6.491 -10.666 87 HD22 ASN 643 2HD2 ASN 643 4.262 -5.906 -10.081 88 H TRP 644 H TRP 644 0.887 -10.487 -7.133 89 HA TRP 644 HA TRP 644 -1.730 -10.501 -7.948 90 HB2 TRP 644 2HB TRP 644 -1.892 -12.688 -7.119 91 HB3 TRP 644 1HB TRP 644 -0.170 -12.479 -7.413 92 HD1 TRP 644 HD TRP 644 1.131 -11.499 -4.980 93 HE1 TRP 644 1HE TRP 644 0.916 -12.575 -2.651 94 HE3 TRP 644 3HE TRP 644 -3.229 -14.071 -5.679 95 HZ2 TRP 644 2HZ TRP 644 -0.869 -14.288 -1.292 96 HZ3 TRP 644 3HZ TRP 644 -4.123 -15.406 -3.815 97 HH2 TRP 644 HH TRP 644 -2.966 -15.511 -1.667 98 H TRP 645 H TRP 645 -0.472 -9.534 -4.853 99 HA TRP 645 HA TRP 645 -3.119 -8.603 -4.092 100 HB2 TRP 645 2HB TRP 645 -2.632 -10.989 -3.162 101 HB3 TRP 645 1HB TRP 645 -1.572 -10.146 -2.037 102 HD1 TRP 645 HD TRP 645 -5.290 -9.980 -3.151 103 HE1 TRP 645 1HE TRP 645 -6.701 -9.349 -1.093 104 HE3 TRP 645 3HE TRP 645 -1.527 -9.344 0.252 105 HZ2 TRP 645 2HZ TRP 645 -6.276 -8.672 1.614 106 HZ3 TRP 645 3HZ TRP 645 -2.115 -8.703 2.554 107 HH2 TRP 645 HH TRP 645 -4.441 -8.374 3.219 108 H THR 646 H THR 646 -0.377 -7.525 -4.796 109 HA THR 646 HA THR 646 -0.357 -5.459 -2.799 110 HB THR 646 HB THR 646 1.036 -7.268 -1.769 111 HG1 THR 646 1HG THR 646 1.618 -5.369 -0.987 112 HG21 THR 646 1HG2 THR 646 2.532 -8.358 -2.968 113 HG22 THR 646 2HG2 THR 646 3.473 -6.871 -3.075 114 HG23 THR 646 3HG2 THR 646 2.304 -7.268 -4.335 115 H GLY 647 H GLY 647 -0.676 -5.822 -5.726 116 HA2 GLY 647 2HA GLY 647 1.224 -3.734 -6.520 117 HA3 GLY 647 1HA GLY 647 1.144 -5.196 -7.492 118 H TRP 648 H TRP 648 -0.574 -5.520 -8.871 119 HA TRP 648 HA TRP 648 -1.906 -3.218 -9.818 120 HB2 TRP 648 2HB TRP 648 -3.180 -4.835 -11.241 121 HB3 TRP 648 1HB TRP 648 -1.432 -5.026 -11.337 122 HD1 TRP 648 HD TRP 648 -0.381 -7.262 -10.331 123 HE1 TRP 648 1HE TRP 648 -1.422 -9.532 -9.712 124 HE3 TRP 648 3HE TRP 648 -5.312 -5.910 -10.290 125 HZ2 TRP 648 2HZ TRP 648 -3.993 -10.608 -9.266 126 HZ3 TRP 648 3HZ TRP 648 -6.999 -7.621 -9.759 127 HH2 TRP 648 HH TRP 648 -6.352 -9.921 -9.258 128 H ARG 649 H ARG 649 -2.664 -5.473 -7.339 129 HA ARG 649 HA ARG 649 -5.491 -4.867 -7.315 130 HB2 ARG 649 2HB ARG 649 -3.689 -6.691 -5.780 131 HB3 ARG 649 1HB ARG 649 -5.236 -6.239 -5.078 132 HG2 ARG 649 2HG ARG 649 -6.272 -7.012 -7.272 133 HG3 ARG 649 1HG ARG 649 -4.707 -7.755 -7.610 134 HD2 ARG 649 2HD ARG 649 -5.870 -9.489 -6.617 135 HD3 ARG 649 1HD ARG 649 -4.980 -8.807 -5.256 136 HE ARG 649 HE ARG 649 -6.982 -8.325 -4.289 137 HH11 ARG 649 1HH1 ARG 649 -7.479 -8.577 -7.734 138 HH12 ARG 649 2HH1 ARG 649 -9.192 -8.352 -7.630 139 HH21 ARG 649 1HH2 ARG 649 -9.236 -8.028 -4.150 140 HH22 ARG 649 2HH2 ARG 649 -10.190 -8.039 -5.595 141 H GLN 650 H GLN 650 -2.580 -3.684 -5.982 142 HA GLN 650 HA GLN 650 -3.590 -2.595 -3.585 143 HB2 GLN 650 2HB GLN 650 -1.092 -2.480 -5.109 144 HB3 GLN 650 1HB GLN 650 -1.439 -1.011 -4.209 145 HG2 GLN 650 2HG GLN 650 -1.965 -3.089 -2.432 146 HG3 GLN 650 1HG GLN 650 -0.490 -3.559 -3.275 147 HE21 GLN 650 1HE2 GLN 650 1.270 -2.957 -2.264 148 HE22 GLN 650 2HE2 GLN 650 1.474 -1.523 -1.323 149 H TRP 651 H TRP 651 -4.059 -1.688 -6.810 150 HA TRP 651 HA TRP 651 -5.399 0.736 -5.979 151 HB2 TRP 651 2HB TRP 651 -4.181 2.044 -7.826 152 HB3 TRP 651 1HB TRP 651 -3.314 1.763 -6.320 153 HD1 TRP 651 HD TRP 651 -1.652 -0.577 -6.465 154 HE1 TRP 651 1HE TRP 651 -0.055 -1.197 -8.386 155 HE3 TRP 651 3HE TRP 651 -3.714 2.261 -10.185 156 HZ2 TRP 651 2HZ TRP 651 0.286 -0.567 -11.116 157 HZ3 TRP 651 3HZ TRP 651 -2.691 2.196 -12.422 158 HH2 TRP 651 HH TRP 651 -0.732 0.811 -12.876 159 H ILE 652 H ILE 652 -6.548 -1.543 -6.922 160 HA ILE 652 HA ILE 652 -6.915 -1.507 -9.756 161 HB ILE 652 HB ILE 652 -9.181 -2.731 -8.495 162 HG12 ILE 652 2HG1 ILE 652 -6.498 -3.470 -7.317 163 HG13 ILE 652 1HG1 ILE 652 -7.930 -2.936 -6.451 164 HG21 ILE 652 1HG2 ILE 652 -7.004 -4.400 -9.575 165 HG22 ILE 652 2HG2 ILE 652 -7.651 -3.165 -10.654 166 HG23 ILE 652 3HG2 ILE 652 -8.725 -4.380 -9.961 167 HD11 ILE 652 1HD1 ILE 652 -7.707 -5.518 -7.977 168 HD12 ILE 652 2HD1 ILE 652 -9.072 -4.988 -6.994 169 HD13 ILE 652 3HD1 ILE 652 -7.522 -5.345 -6.231 170 HA PRO 653 HA PRO 653 -11.143 0.586 -8.857 171 HB2 PRO 653 2HB PRO 653 -11.767 1.286 -6.328 172 HB3 PRO 653 1HB PRO 653 -12.085 -0.332 -6.965 173 HG2 PRO 653 2HG PRO 653 -9.825 0.620 -5.248 174 HG3 PRO 653 1HG PRO 653 -10.789 -0.862 -5.105 175 HD2 PRO 653 2HD PRO 653 -8.320 -0.815 -6.233 176 HD3 PRO 653 1HD PRO 653 -9.588 -1.950 -6.735 177 H ALA 654 H ALA 654 -8.146 1.628 -7.755 178 HA ALA 654 HA ALA 654 -7.129 3.670 -7.838 179 HB1 ALA 654 1HB ALA 654 -8.070 5.442 -9.015 180 HB2 ALA 654 2HB ALA 654 -9.716 4.994 -8.568 181 HB3 ALA 654 3HB ALA 654 -8.829 4.029 -9.748 182 H GLY 655 H GLY 655 -6.785 3.672 -5.634 183 HA2 GLY 655 2HA GLY 655 -6.865 5.177 -3.760 184 HA3 GLY 655 1HA GLY 655 -8.564 5.458 -4.112 185 H ILE 656 H ILE 656 -6.663 2.482 -3.731 186 HA ILE 656 HA ILE 656 -8.584 1.619 -1.665 187 HB ILE 656 HB ILE 656 -8.634 0.285 -3.732 188 HG12 ILE 656 2HG1 ILE 656 -8.357 -1.937 -2.665 189 HG13 ILE 656 1HG1 ILE 656 -7.518 -1.166 -1.322 190 HG21 ILE 656 1HG2 ILE 656 -6.075 0.688 -4.023 191 HG22 ILE 656 2HG2 ILE 656 -6.819 -0.789 -4.637 192 HG23 ILE 656 3HG2 ILE 656 -5.939 -0.812 -3.108 193 HD11 ILE 656 1HD1 ILE 656 -9.880 -1.694 -0.848 194 HD12 ILE 656 2HD1 ILE 656 -10.355 -0.573 -2.123 195 HD13 ILE 656 3HD1 ILE 656 -9.505 0.022 -0.697 196 H GLY 657 H GLY 657 -5.167 1.624 -2.612 197 HA2 GLY 657 2HA GLY 657 -4.460 1.312 0.225 198 HA3 GLY 657 1HA GLY 657 -3.714 0.253 -0.965 199 H VAL 658 H VAL 658 -2.890 1.615 -2.957 200 HA VAL 658 HA VAL 658 -0.741 3.182 -2.027 201 HB VAL 658 HB VAL 658 -1.051 1.888 -4.276 202 HG11 VAL 658 1HG1 VAL 658 -1.903 4.624 -5.197 203 HG12 VAL 658 2HG1 VAL 658 -3.017 3.276 -4.965 204 HG13 VAL 658 3HG1 VAL 658 -1.732 3.161 -6.167 205 HG21 VAL 658 1HG2 VAL 658 0.658 3.345 -5.348 206 HG22 VAL 658 2HG2 VAL 658 1.022 2.933 -3.673 207 HG23 VAL 658 3HG2 VAL 658 0.386 4.529 -4.070 208 H THR 659 H THR 659 -3.911 3.936 -3.276 209 HA THR 659 HA THR 659 -3.482 6.775 -2.629 210 HB THR 659 HB THR 659 -5.230 5.522 -4.754 211 HG1 THR 659 1HG THR 659 -3.038 7.312 -4.851 212 HG21 THR 659 1HG2 THR 659 -6.387 7.431 -3.658 213 HG22 THR 659 2HG2 THR 659 -6.020 7.683 -5.365 214 HG23 THR 659 3HG2 THR 659 -5.030 8.454 -4.126 215 H GLY 660 H GLY 660 -5.249 3.910 -1.994 216 HA2 GLY 660 2HA GLY 660 -7.569 5.215 -0.886 217 HA3 GLY 660 1HA GLY 660 -7.206 3.496 -0.842 218 H VAL 661 H VAL 661 -5.000 3.182 0.517 219 HA VAL 661 HA VAL 661 -5.720 3.984 3.197 220 HB VAL 661 HB VAL 661 -3.355 2.332 2.299 221 HG11 VAL 661 1HG1 VAL 661 -3.941 1.458 4.770 222 HG12 VAL 661 2HG1 VAL 661 -4.436 3.143 4.924 223 HG13 VAL 661 3HG1 VAL 661 -2.784 2.750 4.447 224 HG21 VAL 661 1HG2 VAL 661 -4.649 0.504 2.150 225 HG22 VAL 661 2HG2 VAL 661 -5.969 1.654 1.939 226 HG23 VAL 661 3HG2 VAL 661 -5.640 0.972 3.531 227 H VAL 662 H VAL 662 -2.699 4.091 1.341 228 HA VAL 662 HA VAL 662 -1.123 5.619 2.911 229 HB VAL 662 HB VAL 662 -1.401 5.568 -0.074 230 HG11 VAL 662 1HG1 VAL 662 0.821 6.724 -0.164 231 HG12 VAL 662 2HG1 VAL 662 0.627 7.110 1.546 232 HG13 VAL 662 3HG1 VAL 662 -0.512 7.753 0.363 233 HG21 VAL 662 1HG2 VAL 662 0.799 4.550 1.717 234 HG22 VAL 662 2HG2 VAL 662 0.587 4.237 -0.006 235 HG23 VAL 662 3HG2 VAL 662 -0.560 3.574 1.158 236 H ILE 663 H ILE 663 -3.833 6.730 1.025 237 HA ILE 663 HA ILE 663 -3.214 9.508 1.274 238 HB ILE 663 HB ILE 663 -4.725 8.216 -0.434 239 HG12 ILE 663 2HG1 ILE 663 -5.859 10.863 0.341 240 HG13 ILE 663 1HG1 ILE 663 -4.146 10.785 -0.058 241 HG21 ILE 663 1HG2 ILE 663 -6.888 9.223 1.384 242 HG22 ILE 663 2HG2 ILE 663 -6.308 7.560 1.462 243 HG23 ILE 663 3HG2 ILE 663 -7.026 8.173 -0.027 244 HD11 ILE 663 1HD1 ILE 663 -5.070 11.295 -2.089 245 HD12 ILE 663 2HD1 ILE 663 -6.519 10.334 -1.794 246 HD13 ILE 663 3HD1 ILE 663 -4.996 9.535 -2.182 247 H ALA 664 H ALA 664 -5.199 7.210 3.038 248 HA ALA 664 HA ALA 664 -6.322 9.223 4.774 249 HB1 ALA 664 1HB ALA 664 -6.916 6.906 6.013 250 HB2 ALA 664 2HB ALA 664 -6.649 6.320 4.371 251 HB3 ALA 664 3HB ALA 664 -7.856 7.570 4.676 252 H VAL 665 H VAL 665 -3.549 7.144 4.736 253 HA VAL 665 HA VAL 665 -3.055 7.384 7.582 254 HB VAL 665 HB VAL 665 -1.226 5.949 7.298 255 HG11 VAL 665 1HG1 VAL 665 -2.273 4.102 6.554 256 HG12 VAL 665 2HG1 VAL 665 -2.636 4.813 4.980 257 HG13 VAL 665 3HG1 VAL 665 -3.651 5.188 6.374 258 HG21 VAL 665 1HG2 VAL 665 -1.197 6.805 4.412 259 HG22 VAL 665 2HG2 VAL 665 -0.271 5.433 5.017 260 HG23 VAL 665 3HG2 VAL 665 0.051 7.056 5.632 261 H ILE 666 H ILE 666 -1.798 8.652 4.563 262 HA ILE 666 HA ILE 666 0.308 10.180 5.694 263 HB ILE 666 HB ILE 666 -1.129 10.267 3.052 264 HG12 ILE 666 2HG1 ILE 666 0.396 8.344 3.589 265 HG13 ILE 666 1HG1 ILE 666 0.876 9.268 2.170 266 HG21 ILE 666 1HG2 ILE 666 1.088 12.034 4.048 267 HG22 ILE 666 2HG2 ILE 666 -0.444 12.499 3.311 268 HG23 ILE 666 3HG2 ILE 666 0.814 11.748 2.329 269 HD11 ILE 666 1HD1 ILE 666 2.142 10.343 4.500 270 HD12 ILE 666 2HD1 ILE 666 2.866 9.653 3.048 271 HD13 ILE 666 3HD1 ILE 666 2.429 8.606 4.398 272 H ALA 667 H ALA 667 -3.055 10.790 4.887 273 HA ALA 667 HA ALA 667 -3.334 13.470 4.911 274 HB1 ALA 667 1HB ALA 667 -5.038 11.377 5.129 275 HB2 ALA 667 2HB ALA 667 -5.521 13.071 5.214 276 HB3 ALA 667 3HB ALA 667 -5.254 12.155 6.697 277 H LEU 668 H LEU 668 -2.609 11.457 7.695 278 HA LEU 668 HA LEU 668 -2.808 13.654 9.553 279 HB2 LEU 668 2HB LEU 668 -3.437 11.371 10.205 280 HB3 LEU 668 1HB LEU 668 -1.794 10.835 9.908 281 HG LEU 668 HG LEU 668 -0.981 11.783 11.835 282 HD11 LEU 668 1HD1 LEU 668 -1.996 13.675 13.004 283 HD12 LEU 668 2HD1 LEU 668 -3.310 13.697 11.826 284 HD13 LEU 668 3HD1 LEU 668 -1.663 14.067 11.314 285 HD21 LEU 668 1HD2 LEU 668 -3.605 11.700 13.101 286 HD22 LEU 668 2HD2 LEU 668 -2.173 10.712 13.391 287 HD23 LEU 668 3HD2 LEU 668 -3.277 10.300 12.079 288 H PHE 669 H PHE 669 -0.183 11.388 8.703 289 HA PHE 669 HA PHE 669 1.913 12.780 9.856 290 HB2 PHE 669 2HB PHE 669 1.939 10.447 8.829 291 HB3 PHE 669 1HB PHE 669 2.163 11.238 7.272 292 HD1 PHE 669 1HD PHE 669 4.250 12.270 6.690 293 HD2 PHE 669 2HD PHE 669 3.689 10.506 10.522 294 HE1 PHE 669 1HE PHE 669 6.677 12.362 7.083 295 HE2 PHE 669 2HE PHE 669 6.115 10.595 10.922 296 HZ PHE 669 HZ PHE 669 7.612 11.525 9.202 297 H ALA 670 H ALA 670 0.186 13.428 6.938 298 HA ALA 670 HA ALA 670 2.121 15.099 5.704 299 HB1 ALA 670 1HB ALA 670 0.122 13.936 4.616 300 HB2 ALA 670 2HB ALA 670 0.475 15.589 4.109 301 HB3 ALA 670 3HB ALA 670 -0.840 15.277 5.241 302 H ILE 671 H ILE 671 -0.221 15.582 8.233 303 HA ILE 671 HA ILE 671 -0.178 18.463 7.978 304 HB ILE 671 HB ILE 671 -1.308 16.840 10.239 305 HG12 ILE 671 2HG1 ILE 671 -3.009 17.942 8.038 306 HG13 ILE 671 1HG1 ILE 671 -2.158 16.424 7.771 307 HG21 ILE 671 1HG2 ILE 671 -1.010 19.171 10.768 308 HG22 ILE 671 2HG2 ILE 671 -2.728 18.823 10.578 309 HG23 ILE 671 3HG2 ILE 671 -1.847 19.644 9.290 310 HD11 ILE 671 1HD1 ILE 671 -3.235 15.576 9.873 311 HD12 ILE 671 2HD1 ILE 671 -4.329 15.884 8.524 312 HD13 ILE 671 3HD1 ILE 671 -4.228 17.033 9.857 313 H ALA 672 H ALA 672 1.291 15.979 9.902 314 HA ALA 672 HA ALA 672 2.352 17.578 11.955 315 HB1 ALA 672 1HB ALA 672 3.407 15.682 12.627 316 HB2 ALA 672 2HB ALA 672 3.868 15.232 10.984 317 HB3 ALA 672 3HB ALA 672 2.216 14.969 11.539 318 H LYS 673 H LYS 673 3.414 16.820 8.726 319 HA LYS 673 HA LYS 673 5.942 18.201 9.097 320 HB2 LYS 673 2HB LYS 673 6.059 17.635 6.519 321 HB3 LYS 673 1HB LYS 673 6.391 16.416 7.739 322 HG2 LYS 673 2HG LYS 673 4.647 15.169 7.127 323 HG3 LYS 673 1HG LYS 673 3.573 16.563 7.003 324 HD2 LYS 673 2HD LYS 673 3.637 16.124 4.802 325 HD3 LYS 673 1HD LYS 673 5.184 16.970 4.867 326 HE2 LYS 673 2HE LYS 673 6.133 15.125 4.065 327 HE3 LYS 673 1HE LYS 673 5.767 14.346 5.604 328 HZ1 LYS 673 1HZ LYS 673 4.932 13.078 3.712 329 HZ2 LYS 673 2HZ LYS 673 3.972 14.387 3.237 330 HZ3 LYS 673 3HZ LYS 673 3.665 13.602 4.703 331 H PHE 674 H PHE 674 2.764 18.874 8.056 332 HA PHE 674 HA PHE 674 3.563 21.158 6.428 333 HB2 PHE 674 2HB PHE 674 1.624 19.595 5.869 334 HB3 PHE 674 1HB PHE 674 0.757 20.372 7.188 335 HD1 PHE 674 1HD PHE 674 0.753 23.018 7.063 336 HD2 PHE 674 2HD PHE 674 1.341 20.413 3.749 337 HE1 PHE 674 1HE PHE 674 0.040 24.809 5.534 338 HE2 PHE 674 2HE PHE 674 0.629 22.199 2.214 339 HZ PHE 674 HZ PHE 674 -0.023 24.401 3.106 340 H VAL 675 H VAL 675 2.163 20.429 9.562 341 HA VAL 675 HA VAL 675 1.780 23.272 10.123 342 HB VAL 675 HB VAL 675 1.135 20.889 11.862 343 HG11 VAL 675 1HG1 VAL 675 1.105 22.540 13.410 344 HG12 VAL 675 2HG1 VAL 675 -0.491 22.840 12.722 345 HG13 VAL 675 3HG1 VAL 675 0.887 23.812 12.208 346 HG21 VAL 675 1HG2 VAL 675 -0.608 22.499 10.003 347 HG22 VAL 675 2HG2 VAL 675 -1.211 21.339 11.187 348 HG23 VAL 675 3HG2 VAL 675 -0.189 20.792 9.858 349 H PHE 676 H PHE 676 4.158 20.904 10.498 350 HA PHE 676 HA PHE 676 5.533 22.592 12.475 351 HB2 PHE 676 2HB PHE 676 5.798 19.591 12.492 352 HB3 PHE 676 1HB PHE 676 6.320 20.737 13.718 353 HD1 PHE 676 1HD PHE 676 3.201 19.577 12.030 354 HD2 PHE 676 2HD PHE 676 5.033 21.000 15.598 355 HE1 PHE 676 1HE PHE 676 1.091 19.230 13.246 356 HE2 PHE 676 2HE PHE 676 2.925 20.659 16.820 357 HZ PHE 676 HZ PHE 676 0.951 19.772 15.645
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