NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
605389 | 2n5m | 25722 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 627 H1 GLY 627 1.735 0.795 -20.902 2 H2 GLY 627 H2 GLY 627 0.455 1.555 -20.098 3 H3 GLY 627 H3 GLY 627 0.729 -0.099 -19.876 4 HA2 GLY 627 HA2 GLY 627 2.847 0.358 -18.809 5 HA3 GLY 627 HA3 GLY 627 2.569 2.077 -19.044 6 H GLY 628 H GLY 628 2.627 2.568 -16.862 7 HA2 GLY 628 HA2 GLY 628 0.457 2.961 -15.394 8 HA3 GLY 628 HA3 GLY 628 0.733 1.258 -15.064 9 H ILE 629 H ILE 629 3.430 1.105 -14.866 10 HA ILE 629 HA ILE 629 4.989 1.071 -13.242 11 HB ILE 629 HB ILE 629 6.103 3.301 -12.769 12 HG12 ILE 629 HG12 ILE 629 4.830 4.548 -15.107 13 HG13 ILE 629 HG13 ILE 629 3.769 4.447 -13.707 14 HG21 ILE 629 HG21 ILE 629 7.059 3.394 -15.029 15 HG22 ILE 629 HG22 ILE 629 5.745 2.370 -15.609 16 HG23 ILE 629 HG23 ILE 629 6.895 1.744 -14.427 17 HD11 ILE 629 HD11 ILE 629 5.407 5.637 -12.364 18 HD12 ILE 629 HD12 ILE 629 4.971 6.568 -13.797 19 HD13 ILE 629 HD13 ILE 629 6.506 5.701 -13.742 20 H ARG 630 H ARG 630 3.531 4.123 -12.062 21 HA ARG 630 HA ARG 630 3.468 2.934 -9.385 22 HB2 ARG 630 HB2 ARG 630 3.390 5.793 -10.347 23 HB3 ARG 630 HB3 ARG 630 3.065 5.352 -8.677 24 HG2 ARG 630 HG2 ARG 630 5.286 4.444 -8.437 25 HG3 ARG 630 HG3 ARG 630 5.619 4.726 -10.147 26 HD2 ARG 630 HD2 ARG 630 5.346 7.138 -9.790 27 HD3 ARG 630 HD3 ARG 630 5.041 6.844 -8.078 28 HE ARG 630 HE ARG 630 7.436 5.691 -8.418 29 HH11 ARG 630 HH11 ARG 630 6.281 8.870 -9.362 30 HH12 ARG 630 HH12 ARG 630 7.845 9.602 -9.234 31 HH21 ARG 630 HH21 ARG 630 9.474 6.671 -8.257 32 HH22 ARG 630 HH22 ARG 630 9.650 8.358 -8.609 33 H LYS 631 H LYS 631 1.639 2.082 -8.725 34 HA LYS 631 HA LYS 631 -0.890 3.477 -9.162 35 HB2 LYS 631 HB2 LYS 631 -0.296 0.672 -10.077 36 HB3 LYS 631 HB3 LYS 631 -1.932 1.147 -9.646 37 HG2 LYS 631 HG2 LYS 631 -1.811 2.949 -11.335 38 HG3 LYS 631 HG3 LYS 631 -0.219 2.352 -11.809 39 HD2 LYS 631 HD2 LYS 631 -1.161 0.233 -12.474 40 HD3 LYS 631 HD3 LYS 631 -2.748 0.707 -11.864 41 HE2 LYS 631 HE2 LYS 631 -2.846 2.503 -13.524 42 HE3 LYS 631 HE3 LYS 631 -1.261 2.029 -14.131 43 HZ1 LYS 631 HZ1 LYS 631 -2.173 -0.110 -14.764 44 HZ2 LYS 631 HZ2 LYS 631 -3.049 1.139 -15.495 45 HZ3 LYS 631 HZ3 LYS 631 -3.693 0.325 -14.159 46 H THR 632 H THR 632 -2.611 2.725 -7.761 47 HA THR 632 HA THR 632 -1.749 2.224 -5.086 48 HB THR 632 HB THR 632 -4.236 2.103 -4.602 49 HG1 THR 632 HG1 THR 632 -4.992 3.247 -6.925 50 HG21 THR 632 HG21 THR 632 -2.902 4.187 -4.433 51 HG22 THR 632 HG22 THR 632 -4.581 4.478 -4.889 52 HG23 THR 632 HG23 THR 632 -3.311 4.551 -6.110 53 H ARG 633 H ARG 633 -3.374 0.345 -7.543 54 HA ARG 633 HA ARG 633 -4.249 -1.894 -6.226 55 HB2 ARG 633 HB2 ARG 633 -3.232 -1.509 -9.022 56 HB3 ARG 633 HB3 ARG 633 -3.850 -3.059 -8.471 57 HG2 ARG 633 HG2 ARG 633 -5.997 -2.006 -7.935 58 HG3 ARG 633 HG3 ARG 633 -5.373 -0.459 -8.510 59 HD2 ARG 633 HD2 ARG 633 -5.051 -1.419 -10.738 60 HD3 ARG 633 HD3 ARG 633 -5.669 -2.967 -10.162 61 HE ARG 633 HE ARG 633 -7.563 -0.939 -9.661 62 HH11 ARG 633 HH11 ARG 633 -6.240 -2.768 -12.353 63 HH12 ARG 633 HH12 ARG 633 -7.675 -2.614 -13.311 64 HH21 ARG 633 HH21 ARG 633 -9.429 -0.750 -10.933 65 HH22 ARG 633 HH22 ARG 633 -9.478 -1.472 -12.506 66 H GLU 634 H GLU 634 -0.901 -1.235 -7.143 67 HA GLU 634 HA GLU 634 -0.032 -3.986 -7.030 68 HB2 GLU 634 HB2 GLU 634 1.479 -1.382 -7.287 69 HB3 GLU 634 HB3 GLU 634 2.263 -2.953 -7.217 70 HG2 GLU 634 HG2 GLU 634 1.097 -3.634 -9.249 71 HG3 GLU 634 HG3 GLU 634 0.301 -2.063 -9.319 72 H THR 635 H THR 635 0.124 -1.100 -5.104 73 HA THR 635 HA THR 635 1.715 -1.973 -2.971 74 HB THR 635 HB THR 635 1.372 0.137 -2.198 75 HG1 THR 635 HG1 THR 635 -1.361 -0.538 -2.379 76 HG21 THR 635 HG21 THR 635 1.261 0.402 -4.731 77 HG22 THR 635 HG22 THR 635 0.645 1.743 -3.763 78 HG23 THR 635 HG23 THR 635 -0.474 0.608 -4.516 79 H GLU 636 H GLU 636 -1.834 -1.591 -3.089 80 HA GLU 636 HA GLU 636 -2.443 -2.957 -0.744 81 HB2 GLU 636 HB2 GLU 636 -4.744 -3.286 -1.764 82 HB3 GLU 636 HB3 GLU 636 -4.178 -1.633 -1.611 83 HG2 GLU 636 HG2 GLU 636 -3.622 -1.605 -3.998 84 HG3 GLU 636 HG3 GLU 636 -4.171 -3.273 -4.149 85 H ARG 637 H ARG 637 -1.942 -4.118 -4.016 86 HA ARG 637 HA ARG 637 -2.737 -6.754 -3.881 87 HB2 ARG 637 HB2 ARG 637 -1.041 -5.169 -5.550 88 HB3 ARG 637 HB3 ARG 637 -0.268 -6.721 -5.277 89 HG2 ARG 637 HG2 ARG 637 -2.051 -7.901 -6.240 90 HG3 ARG 637 HG3 ARG 637 -3.133 -6.510 -6.142 91 HD2 ARG 637 HD2 ARG 637 -1.807 -5.342 -7.817 92 HD3 ARG 637 HD3 ARG 637 -0.685 -6.698 -7.894 93 HE ARG 637 HE ARG 637 -3.235 -7.680 -8.437 94 HH11 ARG 637 HH11 ARG 637 -0.924 -5.504 -9.943 95 HH12 ARG 637 HH12 ARG 637 -1.485 -5.836 -11.547 96 HH21 ARG 637 HH21 ARG 637 -3.952 -8.097 -10.546 97 HH22 ARG 637 HH22 ARG 637 -3.197 -7.302 -11.888 98 H LEU 638 H LEU 638 0.341 -5.332 -2.709 99 HA LEU 638 HA LEU 638 1.761 -7.586 -1.875 100 HB2 LEU 638 HB2 LEU 638 3.055 -5.941 -0.940 101 HB3 LEU 638 HB3 LEU 638 1.772 -4.772 -1.173 102 HG LEU 638 HG LEU 638 0.889 -6.139 1.042 103 HD11 LEU 638 HD11 LEU 638 2.423 -6.833 2.470 104 HD12 LEU 638 HD12 LEU 638 3.615 -5.652 1.962 105 HD13 LEU 638 HD13 LEU 638 3.349 -7.102 0.997 106 HD21 LEU 638 HD21 LEU 638 2.496 -3.588 1.089 107 HD22 LEU 638 HD22 LEU 638 1.506 -4.192 2.417 108 HD23 LEU 638 HD23 LEU 638 0.750 -3.746 0.894 109 H ARG 639 H ARG 639 -0.432 -5.592 -0.239 110 HA ARG 639 HA ARG 639 -0.764 -7.041 2.141 111 HB2 ARG 639 HB2 ARG 639 -0.940 -4.569 1.621 112 HB3 ARG 639 HB3 ARG 639 -2.532 -4.914 0.968 113 HG2 ARG 639 HG2 ARG 639 -2.876 -4.128 3.187 114 HG3 ARG 639 HG3 ARG 639 -3.175 -5.862 3.227 115 HD2 ARG 639 HD2 ARG 639 -0.976 -6.245 4.183 116 HD3 ARG 639 HD3 ARG 639 -0.590 -4.531 4.046 117 HE ARG 639 HE ARG 639 -2.914 -4.777 5.573 118 HH11 ARG 639 HH11 ARG 639 0.491 -5.591 5.861 119 HH12 ARG 639 HH12 ARG 639 0.490 -5.471 7.589 120 HH21 ARG 639 HH21 ARG 639 -2.890 -4.626 7.834 121 HH22 ARG 639 HH22 ARG 639 -1.423 -4.926 8.704 122 H ARG 640 H ARG 640 -2.721 -6.961 -0.816 123 HA ARG 640 HA ARG 640 -4.860 -8.526 0.238 124 HB2 ARG 640 HB2 ARG 640 -4.710 -6.924 -1.873 125 HB3 ARG 640 HB3 ARG 640 -4.324 -8.427 -2.696 126 HG2 ARG 640 HG2 ARG 640 -6.420 -9.403 -1.944 127 HG3 ARG 640 HG3 ARG 640 -6.802 -7.927 -1.056 128 HD2 ARG 640 HD2 ARG 640 -6.795 -6.670 -3.162 129 HD3 ARG 640 HD3 ARG 640 -6.435 -8.155 -4.042 130 HE ARG 640 HE ARG 640 -8.733 -8.662 -2.602 131 HH11 ARG 640 HH11 ARG 640 -7.798 -6.401 -5.121 132 HH12 ARG 640 HH12 ARG 640 -9.399 -6.287 -5.772 133 HH21 ARG 640 HH21 ARG 640 -10.821 -8.497 -3.470 134 HH22 ARG 640 HH22 ARG 640 -11.108 -7.473 -4.838 135 H GLN 641 H GLN 641 -2.305 -9.389 -2.177 136 HA GLN 641 HA GLN 641 -2.129 -12.069 -1.055 137 HB2 GLN 641 HB2 GLN 641 -3.204 -11.535 -3.811 138 HB3 GLN 641 HB3 GLN 641 -2.361 -13.034 -3.451 139 HG2 GLN 641 HG2 GLN 641 -3.993 -13.537 -1.707 140 HG3 GLN 641 HG3 GLN 641 -4.834 -12.028 -2.059 141 HE21 GLN 641 HE21 GLN 641 -6.016 -11.840 -3.963 142 HE22 GLN 641 HE22 GLN 641 -6.480 -13.219 -4.896 143 H LEU 642 H LEU 642 -1.031 -9.831 -3.583 144 HA LEU 642 HA LEU 642 1.302 -11.258 -4.324 145 HB2 LEU 642 HB2 LEU 642 -0.073 -8.957 -5.164 146 HB3 LEU 642 HB3 LEU 642 1.554 -8.425 -4.789 147 HG LEU 642 HG LEU 642 1.099 -10.805 -6.570 148 HD11 LEU 642 HD11 LEU 642 1.143 -9.344 -8.503 149 HD12 LEU 642 HD12 LEU 642 1.192 -7.927 -7.455 150 HD13 LEU 642 HD13 LEU 642 -0.239 -8.958 -7.478 151 HD21 LEU 642 HD21 LEU 642 3.368 -10.480 -5.821 152 HD22 LEU 642 HD22 LEU 642 3.321 -8.781 -6.289 153 HD23 LEU 642 HD23 LEU 642 3.260 -10.038 -7.525 154 H LEU 643 H LEU 643 3.408 -9.508 -4.329 155 HA LEU 643 HA LEU 643 4.321 -9.700 -1.577 156 HB2 LEU 643 HB2 LEU 643 5.547 -10.476 -3.738 157 HB3 LEU 643 HB3 LEU 643 6.005 -8.792 -3.885 158 HG LEU 643 HG LEU 643 6.853 -9.141 -1.404 159 HD11 LEU 643 HD11 LEU 643 6.981 -11.930 -2.544 160 HD12 LEU 643 HD12 LEU 643 6.009 -11.414 -1.167 161 HD13 LEU 643 HD13 LEU 643 7.769 -11.382 -1.065 162 HD21 LEU 643 HD21 LEU 643 9.061 -9.705 -2.307 163 HD22 LEU 643 HD22 LEU 643 8.247 -8.479 -3.278 164 HD23 LEU 643 HD23 LEU 643 8.314 -10.148 -3.841 165 H GLU 644 H GLU 644 5.685 -8.050 -0.665 166 HA GLU 644 HA GLU 644 4.529 -5.653 -0.064 167 HB2 GLU 644 HB2 GLU 644 7.404 -6.550 -0.022 168 HB3 GLU 644 HB3 GLU 644 6.906 -5.023 0.679 169 HG2 GLU 644 HG2 GLU 644 5.733 -6.058 2.397 170 HG3 GLU 644 HG3 GLU 644 5.620 -7.589 1.529 171 H VAL 645 H VAL 645 3.821 -4.571 -2.273 172 HA VAL 645 HA VAL 645 6.132 -3.804 -3.917 173 HB VAL 645 HB VAL 645 3.151 -3.311 -4.138 174 HG11 VAL 645 HG11 VAL 645 3.439 -1.695 -5.687 175 HG12 VAL 645 HG12 VAL 645 4.497 -2.751 -6.624 176 HG13 VAL 645 HG13 VAL 645 5.175 -1.713 -5.371 177 HG21 VAL 645 HG21 VAL 645 3.893 -5.562 -4.621 178 HG22 VAL 645 HG22 VAL 645 5.094 -4.963 -5.765 179 HG23 VAL 645 HG23 VAL 645 3.375 -4.773 -6.111 180 H PHE 646 H PHE 646 3.566 -1.367 -3.130 181 HA PHE 646 HA PHE 646 5.624 0.569 -2.390 182 HB2 PHE 646 HB2 PHE 646 2.900 0.810 -3.434 183 HB3 PHE 646 HB3 PHE 646 3.239 1.914 -2.102 184 HD1 PHE 646 HD1 PHE 646 4.074 0.984 -5.546 185 HD2 PHE 646 HD2 PHE 646 4.854 3.683 -2.350 186 HE1 PHE 646 HE1 PHE 646 5.236 2.490 -7.107 187 HE2 PHE 646 HE2 PHE 646 6.017 5.195 -3.904 188 HZ PHE 646 HZ PHE 646 6.209 4.599 -6.286 189 H TRP 647 H TRP 647 2.569 -0.489 -1.401 190 HA TRP 647 HA TRP 647 2.295 0.327 1.169 191 HB2 TRP 647 HB2 TRP 647 0.688 -0.535 -0.615 192 HB3 TRP 647 HB3 TRP 647 1.202 -2.144 -0.153 193 HD1 TRP 647 HD1 TRP 647 -1.677 -0.543 -0.066 194 HE1 TRP 647 HE1 TRP 647 -3.115 -0.798 2.023 195 HE3 TRP 647 HE3 TRP 647 1.882 -2.102 3.276 196 HZ2 TRP 647 HZ2 TRP 647 -2.844 -1.563 4.679 197 HZ3 TRP 647 HZ3 TRP 647 1.164 -2.591 5.578 198 HH2 TRP 647 HH2 TRP 647 -1.143 -2.320 6.265 199 H GLY 648 H GLY 648 3.974 -2.465 -0.202 200 HA2 GLY 648 HA2 GLY 648 4.376 -3.620 2.433 201 HA3 GLY 648 HA3 GLY 648 4.893 -4.293 0.914 202 H GLN 649 H GLN 649 6.518 -2.092 -0.032 203 HA GLN 649 HA GLN 649 9.011 -2.676 0.709 204 HB2 GLN 649 HB2 GLN 649 7.794 -0.126 -0.144 205 HB3 GLN 649 HB3 GLN 649 9.424 -0.032 0.509 206 HG2 GLN 649 HG2 GLN 649 10.183 -1.673 -1.124 207 HG3 GLN 649 HG3 GLN 649 8.549 -1.778 -1.778 208 HE21 GLN 649 HE21 GLN 649 7.726 -0.064 -2.977 209 HE22 GLN 649 HE22 GLN 649 8.742 1.169 -3.635 210 H ASP 650 H ASP 650 10.265 -2.772 2.380 211 HA ASP 650 HA ASP 650 10.444 -2.881 4.780 212 HB2 ASP 650 HB2 ASP 650 11.904 -0.570 3.525 213 HB3 ASP 650 HB3 ASP 650 12.222 -1.104 5.172 214 H HIS 651 H HIS 651 10.835 0.566 4.913 215 HA HIS 651 HA HIS 651 9.092 0.836 7.171 216 HB2 HIS 651 HB2 HIS 651 10.626 2.866 5.535 217 HB3 HIS 651 HB3 HIS 651 9.664 3.294 6.946 218 HD1 HIS 651 HD1 HIS 651 10.722 2.966 9.208 219 HD2 HIS 651 HD2 HIS 651 12.925 1.238 6.137 220 HE1 HIS 651 HE1 HIS 651 12.898 2.262 10.255 221 HE2 HIS 651 HE2 HIS 651 14.216 1.218 8.378 222 H LYS 652 H LYS 652 8.998 1.685 3.832 223 HA LYS 652 HA LYS 652 6.917 3.385 3.483 224 HB2 LYS 652 HB2 LYS 652 7.993 1.198 1.756 225 HB3 LYS 652 HB3 LYS 652 6.666 2.213 1.211 226 HG2 LYS 652 HG2 LYS 652 8.112 4.202 1.613 227 HG3 LYS 652 HG3 LYS 652 9.444 3.098 1.962 228 HD2 LYS 652 HD2 LYS 652 9.245 2.146 -0.281 229 HD3 LYS 652 HD3 LYS 652 7.901 3.235 -0.629 230 HE2 LYS 652 HE2 LYS 652 9.380 5.158 -0.323 231 HE3 LYS 652 HE3 LYS 652 10.723 4.073 0.036 232 HZ1 LYS 652 HZ1 LYS 652 10.787 4.829 -2.254 233 HZ2 LYS 652 HZ2 LYS 652 9.242 4.201 -2.536 234 HZ3 LYS 652 HZ3 LYS 652 10.529 3.158 -2.193 235 H VAL 653 H VAL 653 6.577 0.001 4.229 236 HA VAL 653 HA VAL 653 4.286 -0.784 2.996 237 HB VAL 653 HB VAL 653 5.460 -2.448 4.096 238 HG11 VAL 653 HG11 VAL 653 6.705 -1.050 5.659 239 HG12 VAL 653 HG12 VAL 653 6.061 -2.475 6.473 240 HG13 VAL 653 HG13 VAL 653 5.281 -0.910 6.689 241 HG21 VAL 653 HG21 VAL 653 3.265 -3.154 4.433 242 HG22 VAL 653 HG22 VAL 653 2.988 -1.965 5.706 243 HG23 VAL 653 HG23 VAL 653 4.031 -3.351 6.008 244 H ASP 654 H ASP 654 3.974 0.185 6.477 245 HA ASP 654 HA ASP 654 1.244 0.927 5.943 246 HB2 ASP 654 HB2 ASP 654 1.145 1.706 8.321 247 HB3 ASP 654 HB3 ASP 654 1.446 -0.005 8.068 248 H PHE 655 H PHE 655 4.207 2.289 5.881 249 HA PHE 655 HA PHE 655 3.927 4.956 6.679 250 HB2 PHE 655 HB2 PHE 655 6.009 3.322 5.586 251 HB3 PHE 655 HB3 PHE 655 5.960 4.881 4.766 252 HD1 PHE 655 HD1 PHE 655 6.404 3.210 8.015 253 HD2 PHE 655 HD2 PHE 655 6.560 6.893 5.886 254 HE1 PHE 655 HE1 PHE 655 7.582 4.250 9.908 255 HE2 PHE 655 HE2 PHE 655 7.739 7.939 7.776 256 HZ PHE 655 HZ PHE 655 8.251 6.617 9.789 257 H ILE 656 H ILE 656 3.317 3.333 3.604 258 HA ILE 656 HA ILE 656 3.497 5.316 1.803 259 HB ILE 656 HB ILE 656 1.020 4.421 0.969 260 HG12 ILE 656 HG12 ILE 656 0.674 2.104 1.361 261 HG13 ILE 656 HG13 ILE 656 2.195 1.934 2.239 262 HG21 ILE 656 HG21 ILE 656 3.295 4.311 -0.184 263 HG22 ILE 656 HG22 ILE 656 2.227 2.949 -0.504 264 HG23 ILE 656 HG23 ILE 656 3.556 2.777 0.635 265 HD11 ILE 656 HD11 ILE 656 0.245 1.837 3.651 266 HD12 ILE 656 HD12 ILE 656 -0.194 3.469 3.129 267 HD13 ILE 656 HD13 ILE 656 1.284 3.206 4.060 268 H LEU 657 H LEU 657 0.473 4.947 3.787 269 HA LEU 657 HA LEU 657 -0.465 7.432 2.754 270 HB2 LEU 657 HB2 LEU 657 -2.195 6.025 3.128 271 HB3 LEU 657 HB3 LEU 657 -1.542 5.419 4.618 272 HG LEU 657 HG LEU 657 -3.710 6.625 4.870 273 HD11 LEU 657 HD11 LEU 657 -2.358 6.373 6.821 274 HD12 LEU 657 HD12 LEU 657 -3.097 7.973 6.831 275 HD13 LEU 657 HD13 LEU 657 -1.399 7.788 6.392 276 HD21 LEU 657 HD21 LEU 657 -3.532 8.391 3.284 277 HD22 LEU 657 HD22 LEU 657 -2.100 9.040 4.082 278 HD23 LEU 657 HD23 LEU 657 -3.667 9.114 4.887 279 H GLN 658 H GLN 658 1.073 6.542 5.812 280 HA GLN 658 HA GLN 658 0.727 8.995 7.143 281 HB2 GLN 658 HB2 GLN 658 2.703 6.763 7.379 282 HB3 GLN 658 HB3 GLN 658 2.955 8.241 8.296 283 HG2 GLN 658 HG2 GLN 658 0.856 7.972 9.420 284 HG3 GLN 658 HG3 GLN 658 0.442 6.593 8.405 285 HE21 GLN 658 HE21 GLN 658 2.392 7.736 11.040 286 HE22 GLN 658 HE22 GLN 658 2.890 6.185 11.615 287 H ARG 659 H ARG 659 2.284 8.580 4.269 288 HA ARG 659 HA ARG 659 4.397 10.549 4.711 289 HB2 ARG 659 HB2 ARG 659 3.699 8.781 2.357 290 HB3 ARG 659 HB3 ARG 659 4.943 10.018 2.280 291 HG2 ARG 659 HG2 ARG 659 5.063 7.931 4.414 292 HG3 ARG 659 HG3 ARG 659 5.593 7.551 2.776 293 HD2 ARG 659 HD2 ARG 659 7.175 9.416 2.854 294 HD3 ARG 659 HD3 ARG 659 6.637 9.810 4.485 295 HE ARG 659 HE ARG 659 7.505 7.120 4.358 296 HH11 ARG 659 HH11 ARG 659 8.797 10.386 4.414 297 HH12 ARG 659 HH12 ARG 659 10.303 9.901 5.118 298 HH21 ARG 659 HH21 ARG 659 9.484 6.509 5.281 299 HH22 ARG 659 HH22 ARG 659 10.691 7.708 5.608 300 H GLU 660 H GLU 660 4.429 11.734 2.124 301 HA GLU 660 HA GLU 660 2.199 13.588 2.425 302 HB2 GLU 660 HB2 GLU 660 4.869 13.781 1.081 303 HB3 GLU 660 HB3 GLU 660 3.596 14.935 0.718 304 HG2 GLU 660 HG2 GLU 660 3.481 15.550 3.077 305 HG3 GLU 660 HG3 GLU 660 4.755 14.387 3.442 306 HA PRO 661 HA PRO 661 2.001 12.477 -2.427 307 HB2 PRO 661 HB2 PRO 661 2.614 9.578 -2.196 308 HB3 PRO 661 HB3 PRO 661 3.032 10.719 -3.482 309 HG2 PRO 661 HG2 PRO 661 4.899 9.904 -1.810 310 HG3 PRO 661 HG3 PRO 661 4.826 11.607 -2.311 311 HD2 PRO 661 HD2 PRO 661 3.922 10.360 0.254 312 HD3 PRO 661 HD3 PRO 661 4.798 11.879 -0.011 313 H TYR 662 H TYR 662 0.117 11.795 -3.393 314 HA TYR 662 HA TYR 662 -2.019 11.034 -1.666 315 HB2 TYR 662 HB2 TYR 662 -3.402 11.121 -3.775 316 HB3 TYR 662 HB3 TYR 662 -2.542 12.598 -3.368 317 HD1 TYR 662 HD1 TYR 662 -0.639 13.342 -4.730 318 HD2 TYR 662 HD2 TYR 662 -2.853 9.858 -5.759 319 HE1 TYR 662 HE1 TYR 662 0.351 13.385 -6.981 320 HE2 TYR 662 HE2 TYR 662 -1.869 9.891 -8.013 321 HH TYR 662 HH TYR 662 -0.832 11.498 -9.546 322 H CYS 663 H CYS 663 -0.296 9.363 -4.267 323 HA CYS 663 HA CYS 663 -1.882 7.095 -4.557 324 HB2 CYS 663 HB2 CYS 663 -0.018 7.757 -6.058 325 HB3 CYS 663 HB3 CYS 663 1.123 7.232 -4.825 326 HG CYS 663 HG CYS 663 -0.596 5.425 -7.049 327 H ARG 664 H ARG 664 0.646 7.736 -2.192 328 HA ARG 664 HA ARG 664 0.808 5.079 -1.191 329 HB2 ARG 664 HB2 ARG 664 1.907 7.677 -0.078 330 HB3 ARG 664 HB3 ARG 664 2.345 6.066 0.488 331 HG2 ARG 664 HG2 ARG 664 3.217 5.630 -1.856 332 HG3 ARG 664 HG3 ARG 664 2.992 7.346 -2.172 333 HD2 ARG 664 HD2 ARG 664 4.475 7.884 -0.296 334 HD3 ARG 664 HD3 ARG 664 4.714 6.163 0.003 335 HE ARG 664 HE ARG 664 5.402 6.642 -2.647 336 HH11 ARG 664 HH11 ARG 664 6.581 7.584 0.524 337 HH12 ARG 664 HH12 ARG 664 8.218 7.768 -0.012 338 HH21 ARG 664 HH21 ARG 664 7.551 6.891 -3.327 339 HH22 ARG 664 HH22 ARG 664 8.765 7.376 -2.191 340 H ASP 665 H ASP 665 -0.600 8.128 -0.390 341 HA ASP 665 HA ASP 665 -1.720 7.789 2.079 342 HB2 ASP 665 HB2 ASP 665 -2.362 9.423 -0.293 343 HB3 ASP 665 HB3 ASP 665 -3.623 9.273 0.921 344 H ILE 666 H ILE 666 -2.751 6.405 -0.946 345 HA ILE 666 HA ILE 666 -5.459 5.854 -0.059 346 HB ILE 666 HB ILE 666 -4.120 5.043 -2.661 347 HG12 ILE 666 HG12 ILE 666 -6.194 7.211 -2.386 348 HG13 ILE 666 HG13 ILE 666 -4.495 7.578 -2.122 349 HG21 ILE 666 HG21 ILE 666 -7.035 5.011 -1.844 350 HG22 ILE 666 HG22 ILE 666 -6.006 3.598 -2.081 351 HG23 ILE 666 HG23 ILE 666 -6.420 4.627 -3.452 352 HD11 ILE 666 HD11 ILE 666 -4.054 6.676 -4.424 353 HD12 ILE 666 HD12 ILE 666 -5.006 8.157 -4.359 354 HD13 ILE 666 HD13 ILE 666 -5.800 6.609 -4.652 355 H ASN 667 H ASN 667 -2.408 4.343 -0.701 356 HA ASN 667 HA ASN 667 -2.989 1.675 -0.627 357 HB2 ASN 667 HB2 ASN 667 -0.584 3.055 0.514 358 HB3 ASN 667 HB3 ASN 667 -0.660 1.386 -0.008 359 HD21 ASN 667 HD21 ASN 667 -2.387 2.279 -2.340 360 HD22 ASN 667 HD22 ASN 667 -1.258 2.932 -3.474 361 H GLN 668 H GLN 668 -1.723 3.350 2.420 362 HA GLN 668 HA GLN 668 -2.693 1.074 3.945 363 HB2 GLN 668 HB2 GLN 668 -1.265 1.736 5.524 364 HB3 GLN 668 HB3 GLN 668 -0.923 3.192 4.649 365 HG2 GLN 668 HG2 GLN 668 -2.680 4.369 5.847 366 HG3 GLN 668 HG3 GLN 668 -3.153 2.884 6.647 367 HE21 GLN 668 HE21 GLN 668 -0.812 5.428 6.495 368 HE22 GLN 668 HE22 GLN 668 0.004 5.041 7.967 369 H LEU 669 H LEU 669 -3.728 4.321 3.318 370 HA LEU 669 HA LEU 669 -5.877 4.625 4.999 371 HB2 LEU 669 HB2 LEU 669 -4.788 6.073 3.061 372 HB3 LEU 669 HB3 LEU 669 -6.066 5.354 2.104 373 HG LEU 669 HG LEU 669 -6.821 6.720 4.662 374 HD11 LEU 669 HD11 LEU 669 -5.768 8.019 2.216 375 HD12 LEU 669 HD12 LEU 669 -5.712 8.545 3.900 376 HD13 LEU 669 HD13 LEU 669 -7.196 8.730 2.968 377 HD21 LEU 669 HD21 LEU 669 -8.178 6.433 1.980 378 HD22 LEU 669 HD22 LEU 669 -8.864 7.210 3.407 379 HD23 LEU 669 HD23 LEU 669 -8.522 5.480 3.424 380 H SER 670 H SER 670 -5.923 3.286 1.676 381 HA SER 670 HA SER 670 -8.552 2.221 1.959 382 HB2 SER 670 HB2 SER 670 -7.541 2.851 -0.242 383 HB3 SER 670 HB3 SER 670 -6.496 1.436 -0.117 384 HG SER 670 HG SER 670 -8.091 0.351 -0.922 385 H GLU 671 H GLU 671 -5.301 0.470 1.772 386 HA GLU 671 HA GLU 671 -6.755 -1.919 2.522 387 HB2 GLU 671 HB2 GLU 671 -4.477 -1.591 1.106 388 HB3 GLU 671 HB3 GLU 671 -3.861 -2.167 2.651 389 HG2 GLU 671 HG2 GLU 671 -4.238 -4.087 1.343 390 HG3 GLU 671 HG3 GLU 671 -5.547 -4.032 2.510 391 H ALA 672 H ALA 672 -3.911 -0.342 4.293 392 HA ALA 672 HA ALA 672 -4.194 -1.801 6.602 393 HB1 ALA 672 HB1 ALA 672 -3.319 0.986 6.128 394 HB2 ALA 672 HB2 ALA 672 -2.380 -0.416 6.626 395 HB3 ALA 672 HB3 ALA 672 -3.440 0.395 7.780 396 H LEU 673 H LEU 673 -6.266 1.103 5.871 397 HA LEU 673 HA LEU 673 -7.417 1.092 8.504 398 HB2 LEU 673 HB2 LEU 673 -7.273 3.026 6.791 399 HB3 LEU 673 HB3 LEU 673 -8.740 2.339 6.123 400 HG LEU 673 HG LEU 673 -9.564 2.534 8.640 401 HD11 LEU 673 HD11 LEU 673 -7.488 4.710 8.425 402 HD12 LEU 673 HD12 LEU 673 -7.447 3.337 9.530 403 HD13 LEU 673 HD13 LEU 673 -8.701 4.565 9.697 404 HD21 LEU 673 HD21 LEU 673 -10.523 4.719 8.070 405 HD22 LEU 673 HD22 LEU 673 -10.637 3.577 6.731 406 HD23 LEU 673 HD23 LEU 673 -9.409 4.843 6.709 407 H LEU 674 H LEU 674 -8.485 -0.203 5.371 408 HA LEU 674 HA LEU 674 -11.049 -1.064 6.291 409 HB2 LEU 674 HB2 LEU 674 -10.187 -0.611 3.868 410 HB3 LEU 674 HB3 LEU 674 -9.652 -2.277 3.930 411 HG LEU 674 HG LEU 674 -12.497 -1.721 4.619 412 HD11 LEU 674 HD11 LEU 674 -12.178 -0.342 2.650 413 HD12 LEU 674 HD12 LEU 674 -13.122 -1.775 2.246 414 HD13 LEU 674 HD13 LEU 674 -11.417 -1.689 1.805 415 HD21 LEU 674 HD21 LEU 674 -11.611 -3.991 4.755 416 HD22 LEU 674 HD22 LEU 674 -11.109 -3.906 3.066 417 HD23 LEU 674 HD23 LEU 674 -12.823 -3.863 3.480 418 H SER 675 H SER 675 -7.925 -2.675 5.875 419 HA SER 675 HA SER 675 -8.789 -5.305 6.480 420 HB2 SER 675 HB2 SER 675 -6.677 -4.702 5.265 421 HB3 SER 675 HB3 SER 675 -6.000 -4.185 6.808 422 HG SER 675 HG SER 675 -7.116 -6.729 6.717 423 H LEU 676 H LEU 676 -7.414 -2.723 8.494 424 HA LEU 676 HA LEU 676 -7.136 -4.263 10.864 425 HB2 LEU 676 HB2 LEU 676 -6.061 -2.000 10.205 426 HB3 LEU 676 HB3 LEU 676 -7.529 -1.286 10.839 427 HG LEU 676 HG LEU 676 -6.916 -2.735 12.971 428 HD11 LEU 676 HD11 LEU 676 -4.500 -2.827 13.330 429 HD12 LEU 676 HD12 LEU 676 -4.232 -2.276 11.677 430 HD13 LEU 676 HD13 LEU 676 -4.990 -3.840 11.973 431 HD21 LEU 676 HD21 LEU 676 -7.168 -0.320 12.944 432 HD22 LEU 676 HD22 LEU 676 -5.562 -0.143 12.238 433 HD23 LEU 676 HD23 LEU 676 -5.741 -0.780 13.872 434 H ASN 677 H ASN 677 -9.715 -2.089 9.714 435 HA ASN 677 HA ASN 677 -11.312 -2.321 12.071 436 HB2 ASN 677 HB2 ASN 677 -11.822 -1.227 9.316 437 HB3 ASN 677 HB3 ASN 677 -13.116 -1.342 10.504 438 HD21 ASN 677 HD21 ASN 677 -13.064 -0.042 12.326 439 HD22 ASN 677 HD22 ASN 677 -12.031 1.337 12.446 440 H PHE 678 H PHE 678 -11.637 -3.723 8.797 441 HA PHE 678 HA PHE 678 -13.883 -5.351 9.478 442 HB2 PHE 678 HB2 PHE 678 -12.054 -5.218 7.094 443 HB3 PHE 678 HB3 PHE 678 -13.275 -6.478 7.236 444 HD1 PHE 678 HD1 PHE 678 -12.700 -2.878 6.818 445 HD2 PHE 678 HD2 PHE 678 -15.607 -5.982 6.998 446 HE1 PHE 678 HE1 PHE 678 -14.392 -1.343 5.902 447 HE2 PHE 678 HE2 PHE 678 -17.302 -4.453 6.080 448 HZ PHE 678 HZ PHE 678 -16.695 -2.131 5.531 Start of MODEL 2 1 H1 GLY 627 H1 GLY 627 3.965 7.374 -8.951 2 H2 GLY 627 H2 GLY 627 3.084 8.505 -8.054 3 H3 GLY 627 H3 GLY 627 3.798 8.959 -9.519 4 HA2 GLY 627 HA2 GLY 627 1.590 7.000 -9.197 5 HA3 GLY 627 HA3 GLY 627 1.414 8.647 -9.782 6 H GLY 628 H GLY 628 1.039 5.827 -10.942 7 HA2 GLY 628 HA2 GLY 628 2.268 6.456 -13.535 8 HA3 GLY 628 HA3 GLY 628 2.537 4.865 -12.840 9 H ILE 629 H ILE 629 1.254 3.339 -13.586 10 HA ILE 629 HA ILE 629 -1.300 4.092 -14.802 11 HB ILE 629 HB ILE 629 0.300 2.836 -16.210 12 HG12 ILE 629 HG12 ILE 629 -1.368 0.853 -16.741 13 HG13 ILE 629 HG13 ILE 629 -2.405 1.714 -15.610 14 HG21 ILE 629 HG21 ILE 629 1.397 1.441 -14.582 15 HG22 ILE 629 HG22 ILE 629 0.693 0.437 -15.850 16 HG23 ILE 629 HG23 ILE 629 -0.100 0.559 -14.279 17 HD11 ILE 629 HD11 ILE 629 -2.884 2.348 -17.901 18 HD12 ILE 629 HD12 ILE 629 -1.209 2.850 -18.128 19 HD13 ILE 629 HD13 ILE 629 -2.244 3.719 -16.996 20 H ARG 630 H ARG 630 0.058 1.948 -12.339 21 HA ARG 630 HA ARG 630 -2.652 1.566 -11.256 22 HB2 ARG 630 HB2 ARG 630 -0.487 -0.503 -11.606 23 HB3 ARG 630 HB3 ARG 630 -1.805 -0.715 -10.462 24 HG2 ARG 630 HG2 ARG 630 -3.417 -0.526 -12.307 25 HG3 ARG 630 HG3 ARG 630 -2.077 -0.365 -13.442 26 HD2 ARG 630 HD2 ARG 630 -1.255 -2.580 -12.754 27 HD3 ARG 630 HD3 ARG 630 -2.634 -2.737 -11.665 28 HE ARG 630 HE ARG 630 -3.737 -2.239 -14.118 29 HH11 ARG 630 HH11 ARG 630 -1.574 -4.708 -12.870 30 HH12 ARG 630 HH12 ARG 630 -2.124 -5.916 -13.983 31 HH21 ARG 630 HH21 ARG 630 -4.443 -3.835 -15.565 32 HH22 ARG 630 HH22 ARG 630 -3.747 -5.420 -15.507 33 H LYS 631 H LYS 631 -2.846 1.543 -9.030 34 HA LYS 631 HA LYS 631 -0.426 2.150 -7.464 35 HB2 LYS 631 HB2 LYS 631 -3.079 3.596 -7.254 36 HB3 LYS 631 HB3 LYS 631 -1.715 3.825 -6.173 37 HG2 LYS 631 HG2 LYS 631 -1.423 5.608 -7.575 38 HG3 LYS 631 HG3 LYS 631 -0.452 4.399 -8.415 39 HD2 LYS 631 HD2 LYS 631 -2.342 3.920 -9.900 40 HD3 LYS 631 HD3 LYS 631 -3.317 5.119 -9.051 41 HE2 LYS 631 HE2 LYS 631 -0.709 5.785 -10.397 42 HE3 LYS 631 HE3 LYS 631 -2.260 5.865 -11.229 43 HZ1 LYS 631 HZ1 LYS 631 -1.519 7.401 -8.796 44 HZ2 LYS 631 HZ2 LYS 631 -3.012 7.476 -9.587 45 HZ3 LYS 631 HZ3 LYS 631 -1.615 8.023 -10.367 46 H THR 632 H THR 632 -3.590 0.735 -7.647 47 HA THR 632 HA THR 632 -3.885 -0.039 -4.914 48 HB THR 632 HB THR 632 -5.622 -1.642 -5.851 49 HG1 THR 632 HG1 THR 632 -5.267 -0.216 -8.274 50 HG21 THR 632 HG21 THR 632 -6.233 0.572 -5.015 51 HG22 THR 632 HG22 THR 632 -7.210 0.139 -6.418 52 HG23 THR 632 HG23 THR 632 -5.873 1.277 -6.591 53 H ARG 633 H ARG 633 -2.661 -1.613 -7.798 54 HA ARG 633 HA ARG 633 -2.460 -4.245 -7.046 55 HB2 ARG 633 HB2 ARG 633 -1.871 -2.926 -9.261 56 HB3 ARG 633 HB3 ARG 633 -0.236 -3.071 -8.635 57 HG2 ARG 633 HG2 ARG 633 -0.582 -5.534 -8.482 58 HG3 ARG 633 HG3 ARG 633 -2.138 -5.313 -9.285 59 HD2 ARG 633 HD2 ARG 633 -0.996 -4.323 -11.212 60 HD3 ARG 633 HD3 ARG 633 0.556 -4.552 -10.408 61 HE ARG 633 HE ARG 633 -0.837 -7.009 -10.593 62 HH11 ARG 633 HH11 ARG 633 0.994 -4.769 -12.584 63 HH12 ARG 633 HH12 ARG 633 1.492 -5.993 -13.704 64 HH21 ARG 633 HH21 ARG 633 -0.173 -8.594 -12.071 65 HH22 ARG 633 HH22 ARG 633 0.832 -8.156 -13.412 66 H GLU 634 H GLU 634 -0.144 -1.659 -6.106 67 HA GLU 634 HA GLU 634 1.869 -3.527 -5.334 68 HB2 GLU 634 HB2 GLU 634 1.603 -0.536 -5.024 69 HB3 GLU 634 HB3 GLU 634 2.958 -1.448 -4.378 70 HG2 GLU 634 HG2 GLU 634 3.780 -0.668 -6.395 71 HG3 GLU 634 HG3 GLU 634 3.251 -2.299 -6.799 72 H THR 635 H THR 635 -0.583 -1.529 -3.794 73 HA THR 635 HA THR 635 0.262 -2.099 -1.158 74 HB THR 635 HB THR 635 -0.794 -0.059 -1.450 75 HG1 THR 635 HG1 THR 635 -2.593 -0.262 0.034 76 HG21 THR 635 HG21 THR 635 -3.167 -1.526 -2.599 77 HG22 THR 635 HG22 THR 635 -2.141 -0.343 -3.405 78 HG23 THR 635 HG23 THR 635 -3.211 0.161 -2.101 79 H GLU 636 H GLU 636 -2.795 -3.083 -2.720 80 HA GLU 636 HA GLU 636 -3.287 -4.857 -0.569 81 HB2 GLU 636 HB2 GLU 636 -5.370 -5.430 -1.711 82 HB3 GLU 636 HB3 GLU 636 -5.126 -3.698 -1.472 83 HG2 GLU 636 HG2 GLU 636 -4.494 -3.468 -3.828 84 HG3 GLU 636 HG3 GLU 636 -4.703 -5.202 -4.070 85 H ARG 637 H ARG 637 -2.132 -5.401 -3.886 86 HA ARG 637 HA ARG 637 -2.270 -8.236 -3.731 87 HB2 ARG 637 HB2 ARG 637 -1.824 -6.620 -5.784 88 HB3 ARG 637 HB3 ARG 637 -0.145 -6.939 -5.378 89 HG2 ARG 637 HG2 ARG 637 -0.528 -8.583 -6.925 90 HG3 ARG 637 HG3 ARG 637 -0.930 -9.445 -5.440 91 HD2 ARG 637 HD2 ARG 637 -3.303 -8.966 -5.806 92 HD3 ARG 637 HD3 ARG 637 -2.901 -8.093 -7.284 93 HE ARG 637 HE ARG 637 -1.863 -10.709 -7.417 94 HH11 ARG 637 HH11 ARG 637 -4.952 -9.043 -7.562 95 HH12 ARG 637 HH12 ARG 637 -5.692 -10.262 -8.545 96 HH21 ARG 637 HH21 ARG 637 -2.853 -12.290 -8.704 97 HH22 ARG 637 HH22 ARG 637 -4.504 -12.098 -9.190 98 H LEU 638 H LEU 638 0.304 -5.910 -2.882 99 HA LEU 638 HA LEU 638 2.428 -7.623 -2.331 100 HB2 LEU 638 HB2 LEU 638 3.434 -5.849 -1.203 101 HB3 LEU 638 HB3 LEU 638 2.303 -5.012 -2.229 102 HG LEU 638 HG LEU 638 0.758 -5.042 -0.078 103 HD11 LEU 638 HD11 LEU 638 1.945 -4.898 2.002 104 HD12 LEU 638 HD12 LEU 638 3.467 -5.193 1.178 105 HD13 LEU 638 HD13 LEU 638 2.252 -6.465 1.254 106 HD21 LEU 638 HD21 LEU 638 1.529 -2.919 0.636 107 HD22 LEU 638 HD22 LEU 638 1.753 -3.027 -1.127 108 HD23 LEU 638 HD23 LEU 638 3.135 -3.223 -0.053 109 H ARG 639 H ARG 639 0.126 -6.331 -0.130 110 HA ARG 639 HA ARG 639 0.812 -7.879 2.126 111 HB2 ARG 639 HB2 ARG 639 -0.115 -5.528 2.081 112 HB3 ARG 639 HB3 ARG 639 -1.675 -6.233 1.658 113 HG2 ARG 639 HG2 ARG 639 -1.842 -5.897 3.960 114 HG3 ARG 639 HG3 ARG 639 -1.467 -7.612 3.823 115 HD2 ARG 639 HD2 ARG 639 0.684 -5.551 4.234 116 HD3 ARG 639 HD3 ARG 639 -0.204 -6.247 5.588 117 HE ARG 639 HE ARG 639 0.863 -8.256 3.867 118 HH11 ARG 639 HH11 ARG 639 1.752 -6.081 6.477 119 HH12 ARG 639 HH12 ARG 639 3.059 -7.081 7.018 120 HH21 ARG 639 HH21 ARG 639 2.571 -9.552 4.598 121 HH22 ARG 639 HH22 ARG 639 3.521 -9.044 5.954 122 H ARG 640 H ARG 640 -1.833 -8.262 -0.240 123 HA ARG 640 HA ARG 640 -3.232 -10.251 1.201 124 HB2 ARG 640 HB2 ARG 640 -3.256 -9.367 -1.652 125 HB3 ARG 640 HB3 ARG 640 -4.114 -10.831 -1.190 126 HG2 ARG 640 HG2 ARG 640 -5.393 -9.535 0.463 127 HG3 ARG 640 HG3 ARG 640 -4.561 -8.072 -0.067 128 HD2 ARG 640 HD2 ARG 640 -5.470 -8.369 -2.316 129 HD3 ARG 640 HD3 ARG 640 -6.290 -9.840 -1.795 130 HE ARG 640 HE ARG 640 -7.007 -7.587 -0.196 131 HH11 ARG 640 HH11 ARG 640 -7.701 -9.152 -3.263 132 HH12 ARG 640 HH12 ARG 640 -9.296 -8.486 -3.373 133 HH21 ARG 640 HH21 ARG 640 -9.098 -6.728 -0.361 134 HH22 ARG 640 HH22 ARG 640 -10.085 -7.115 -1.731 135 H GLN 641 H GLN 641 -0.967 -10.698 -1.592 136 HA GLN 641 HA GLN 641 -0.331 -13.349 -0.515 137 HB2 GLN 641 HB2 GLN 641 -1.470 -12.848 -3.252 138 HB3 GLN 641 HB3 GLN 641 -0.489 -14.266 -2.913 139 HG2 GLN 641 HG2 GLN 641 -2.073 -14.949 -1.183 140 HG3 GLN 641 HG3 GLN 641 -3.056 -13.526 -1.524 141 HE21 GLN 641 HE21 GLN 641 -4.244 -13.434 -3.427 142 HE22 GLN 641 HE22 GLN 641 -4.562 -14.838 -4.382 143 H LEU 642 H LEU 642 0.470 -10.873 -2.936 144 HA LEU 642 HA LEU 642 2.960 -12.013 -3.713 145 HB2 LEU 642 HB2 LEU 642 1.391 -10.218 -4.846 146 HB3 LEU 642 HB3 LEU 642 2.413 -9.089 -3.985 147 HG LEU 642 HG LEU 642 4.341 -10.507 -5.151 148 HD11 LEU 642 HD11 LEU 642 2.012 -10.778 -7.046 149 HD12 LEU 642 HD12 LEU 642 2.835 -12.097 -6.214 150 HD13 LEU 642 HD13 LEU 642 3.697 -11.142 -7.421 151 HD21 LEU 642 HD21 LEU 642 4.033 -8.107 -5.363 152 HD22 LEU 642 HD22 LEU 642 2.716 -8.360 -6.508 153 HD23 LEU 642 HD23 LEU 642 4.361 -8.828 -6.939 154 H LEU 643 H LEU 643 4.785 -9.861 -3.617 155 HA LEU 643 HA LEU 643 5.739 -10.101 -0.890 156 HB2 LEU 643 HB2 LEU 643 7.096 -10.256 -3.118 157 HB3 LEU 643 HB3 LEU 643 7.103 -8.507 -3.035 158 HG LEU 643 HG LEU 643 8.033 -10.006 -0.630 159 HD11 LEU 643 HD11 LEU 643 9.130 -11.199 -2.438 160 HD12 LEU 643 HD12 LEU 643 10.289 -10.191 -1.570 161 HD13 LEU 643 HD13 LEU 643 9.672 -9.673 -3.139 162 HD21 LEU 643 HD21 LEU 643 7.906 -7.567 -0.598 163 HD22 LEU 643 HD22 LEU 643 8.956 -7.486 -2.013 164 HD23 LEU 643 HD23 LEU 643 9.579 -8.114 -0.487 165 H GLU 644 H GLU 644 6.161 -8.416 0.521 166 HA GLU 644 HA GLU 644 4.321 -6.314 0.635 167 HB2 GLU 644 HB2 GLU 644 6.791 -7.016 2.165 168 HB3 GLU 644 HB3 GLU 644 5.947 -5.517 2.510 169 HG2 GLU 644 HG2 GLU 644 3.887 -6.851 2.933 170 HG3 GLU 644 HG3 GLU 644 4.851 -8.312 2.723 171 H VAL 645 H VAL 645 4.531 -5.062 -1.396 172 HA VAL 645 HA VAL 645 7.102 -3.956 -2.063 173 HB VAL 645 HB VAL 645 4.292 -3.619 -3.196 174 HG11 VAL 645 HG11 VAL 645 6.863 -2.749 -4.578 175 HG12 VAL 645 HG12 VAL 645 5.822 -1.630 -3.701 176 HG13 VAL 645 HG13 VAL 645 5.200 -2.490 -5.109 177 HG21 VAL 645 HG21 VAL 645 5.251 -5.838 -3.445 178 HG22 VAL 645 HG22 VAL 645 6.716 -5.169 -4.163 179 HG23 VAL 645 HG23 VAL 645 5.176 -5.031 -5.012 180 H PHE 646 H PHE 646 4.160 -1.821 -2.007 181 HA PHE 646 HA PHE 646 5.832 0.299 -0.943 182 HB2 PHE 646 HB2 PHE 646 3.326 0.234 -2.489 183 HB3 PHE 646 HB3 PHE 646 3.487 1.563 -1.352 184 HD1 PHE 646 HD1 PHE 646 5.370 3.162 -1.574 185 HD2 PHE 646 HD2 PHE 646 4.611 0.150 -4.477 186 HE1 PHE 646 HE1 PHE 646 6.780 4.369 -3.188 187 HE2 PHE 646 HE2 PHE 646 6.020 1.348 -6.098 188 HZ PHE 646 HZ PHE 646 7.106 3.462 -5.454 189 H TRP 647 H TRP 647 2.583 -0.706 -0.321 190 HA TRP 647 HA TRP 647 2.262 0.361 2.199 191 HB2 TRP 647 HB2 TRP 647 0.172 0.044 1.311 192 HB3 TRP 647 HB3 TRP 647 0.683 -1.314 0.334 193 HD1 TRP 647 HD1 TRP 647 -0.558 -3.445 0.977 194 HE1 TRP 647 HE1 TRP 647 -1.626 -4.434 3.081 195 HE3 TRP 647 HE3 TRP 647 0.563 0.259 4.326 196 HZ2 TRP 647 HZ2 TRP 647 -1.958 -3.777 5.785 197 HZ3 TRP 647 HZ3 TRP 647 -0.167 -0.012 6.656 198 HH2 TRP 647 HH2 TRP 647 -1.402 -1.989 7.373 199 H GLY 648 H GLY 648 3.647 -2.737 1.256 200 HA2 GLY 648 HA2 GLY 648 3.702 -3.570 4.063 201 HA3 GLY 648 HA3 GLY 648 4.060 -4.586 2.704 202 H GLN 649 H GLN 649 5.992 -1.984 1.959 203 HA GLN 649 HA GLN 649 8.311 -3.250 3.098 204 HB2 GLN 649 HB2 GLN 649 7.980 -1.797 0.896 205 HB3 GLN 649 HB3 GLN 649 8.510 -0.506 1.964 206 HG2 GLN 649 HG2 GLN 649 10.552 -1.752 2.461 207 HG3 GLN 649 HG3 GLN 649 10.019 -3.050 1.393 208 HE21 GLN 649 HE21 GLN 649 10.030 -2.726 -0.831 209 HE22 GLN 649 HE22 GLN 649 10.909 -1.434 -1.568 210 H ASP 650 H ASP 650 9.298 -2.926 4.957 211 HA ASP 650 HA ASP 650 9.332 -2.237 7.220 212 HB2 ASP 650 HB2 ASP 650 11.338 -1.623 5.626 213 HB3 ASP 650 HB3 ASP 650 10.884 0.025 6.045 214 H HIS 651 H HIS 651 10.102 0.863 7.440 215 HA HIS 651 HA HIS 651 7.917 1.789 8.879 216 HB2 HIS 651 HB2 HIS 651 10.040 3.322 7.372 217 HB3 HIS 651 HB3 HIS 651 8.852 4.108 8.406 218 HD1 HIS 651 HD1 HIS 651 8.923 3.297 10.998 219 HD2 HIS 651 HD2 HIS 651 12.259 2.437 8.674 220 HE1 HIS 651 HE1 HIS 651 10.770 2.800 12.631 221 HE2 HIS 651 HE2 HIS 651 12.780 2.281 11.202 222 H LYS 652 H LYS 652 8.636 2.081 5.521 223 HA LYS 652 HA LYS 652 6.842 3.830 4.469 224 HB2 LYS 652 HB2 LYS 652 8.011 1.304 3.355 225 HB3 LYS 652 HB3 LYS 652 6.954 2.330 2.398 226 HG2 LYS 652 HG2 LYS 652 8.500 4.207 2.721 227 HG3 LYS 652 HG3 LYS 652 9.569 3.150 3.647 228 HD2 LYS 652 HD2 LYS 652 9.859 1.717 1.694 229 HD3 LYS 652 HD3 LYS 652 8.763 2.744 0.767 230 HE2 LYS 652 HE2 LYS 652 10.303 4.630 1.056 231 HE3 LYS 652 HE3 LYS 652 11.400 3.590 1.963 232 HZ1 LYS 652 HZ1 LYS 652 11.665 2.213 -0.004 233 HZ2 LYS 652 HZ2 LYS 652 12.091 3.815 -0.340 234 HZ3 LYS 652 HZ3 LYS 652 10.606 3.206 -0.874 235 H VAL 653 H VAL 653 6.084 0.673 5.702 236 HA VAL 653 HA VAL 653 4.051 -0.304 4.187 237 HB VAL 653 HB VAL 653 3.147 -1.408 6.260 238 HG11 VAL 653 HG11 VAL 653 5.217 -2.153 4.916 239 HG12 VAL 653 HG12 VAL 653 4.878 -2.905 6.475 240 HG13 VAL 653 HG13 VAL 653 6.115 -1.654 6.347 241 HG21 VAL 653 HG21 VAL 653 3.417 -0.032 8.097 242 HG22 VAL 653 HG22 VAL 653 5.042 0.463 7.624 243 HG23 VAL 653 HG23 VAL 653 4.773 -1.142 8.302 244 H ASP 654 H ASP 654 3.187 1.381 7.229 245 HA ASP 654 HA ASP 654 0.648 2.104 6.133 246 HB2 ASP 654 HB2 ASP 654 0.202 3.239 8.316 247 HB3 ASP 654 HB3 ASP 654 0.414 1.495 8.339 248 H PHE 655 H PHE 655 3.632 3.365 6.162 249 HA PHE 655 HA PHE 655 3.322 6.150 6.559 250 HB2 PHE 655 HB2 PHE 655 5.477 4.326 6.160 251 HB3 PHE 655 HB3 PHE 655 5.616 5.632 4.986 252 HD1 PHE 655 HD1 PHE 655 5.667 4.753 8.533 253 HD2 PHE 655 HD2 PHE 655 6.020 7.906 5.696 254 HE1 PHE 655 HE1 PHE 655 6.629 6.205 10.271 255 HE2 PHE 655 HE2 PHE 655 6.983 9.363 7.429 256 HZ PHE 655 HZ PHE 655 7.288 8.513 9.720 257 H ILE 656 H ILE 656 3.184 3.953 3.831 258 HA ILE 656 HA ILE 656 3.641 5.550 1.688 259 HB ILE 656 HB ILE 656 1.518 4.407 0.555 260 HG12 ILE 656 HG12 ILE 656 0.418 2.778 1.593 261 HG13 ILE 656 HG13 ILE 656 1.917 1.964 2.015 262 HG21 ILE 656 HG21 ILE 656 4.247 3.412 1.188 263 HG22 ILE 656 HG22 ILE 656 3.476 3.681 -0.373 264 HG23 ILE 656 HG23 ILE 656 3.115 2.222 0.554 265 HD11 ILE 656 HD11 ILE 656 0.152 2.708 3.772 266 HD12 ILE 656 HD12 ILE 656 1.050 4.229 3.675 267 HD13 ILE 656 HD13 ILE 656 1.878 2.740 4.109 268 H LEU 657 H LEU 657 0.170 5.345 2.925 269 HA LEU 657 HA LEU 657 -0.408 7.459 1.122 270 HB2 LEU 657 HB2 LEU 657 -2.585 7.236 1.518 271 HB3 LEU 657 HB3 LEU 657 -2.095 5.720 2.215 272 HG LEU 657 HG LEU 657 -2.168 6.951 4.509 273 HD11 LEU 657 HD11 LEU 657 -3.585 8.942 4.634 274 HD12 LEU 657 HD12 LEU 657 -3.692 8.984 2.874 275 HD13 LEU 657 HD13 LEU 657 -2.141 9.251 3.670 276 HD21 LEU 657 HD21 LEU 657 -4.916 7.156 3.588 277 HD22 LEU 657 HD22 LEU 657 -4.214 6.106 4.814 278 HD23 LEU 657 HD23 LEU 657 -4.147 5.647 3.112 279 H GLN 658 H GLN 658 0.399 7.528 4.539 280 HA GLN 658 HA GLN 658 -0.040 10.359 4.793 281 HB2 GLN 658 HB2 GLN 658 -0.041 8.444 6.605 282 HB3 GLN 658 HB3 GLN 658 1.675 8.811 6.697 283 HG2 GLN 658 HG2 GLN 658 1.151 11.137 7.234 284 HG3 GLN 658 HG3 GLN 658 -0.571 10.769 7.139 285 HE21 GLN 658 HE21 GLN 658 2.353 10.374 8.970 286 HE22 GLN 658 HE22 GLN 658 1.611 9.791 10.417 287 H ARG 659 H ARG 659 1.524 10.135 2.586 288 HA ARG 659 HA ARG 659 4.082 11.279 3.470 289 HB2 ARG 659 HB2 ARG 659 3.641 9.086 1.494 290 HB3 ARG 659 HB3 ARG 659 4.942 10.228 1.187 291 HG2 ARG 659 HG2 ARG 659 5.901 9.702 3.383 292 HG3 ARG 659 HG3 ARG 659 4.604 8.539 3.659 293 HD2 ARG 659 HD2 ARG 659 6.456 7.277 2.918 294 HD3 ARG 659 HD3 ARG 659 5.364 7.386 1.539 295 HE ARG 659 HE ARG 659 7.283 9.475 1.471 296 HH11 ARG 659 HH11 ARG 659 6.974 6.033 0.844 297 HH12 ARG 659 HH12 ARG 659 8.267 6.010 -0.309 298 HH21 ARG 659 HH21 ARG 659 8.971 9.421 -0.042 299 HH22 ARG 659 HH22 ARG 659 9.395 7.927 -0.809 300 H GLU 660 H GLU 660 3.654 11.017 0.019 301 HA GLU 660 HA GLU 660 2.280 13.564 -0.195 302 HB2 GLU 660 HB2 GLU 660 5.184 13.344 -0.509 303 HB3 GLU 660 HB3 GLU 660 4.385 14.137 -1.861 304 HG2 GLU 660 HG2 GLU 660 3.347 15.717 -0.313 305 HG3 GLU 660 HG3 GLU 660 4.151 14.918 1.038 306 HA PRO 661 HA PRO 661 2.902 11.805 -4.836 307 HB2 PRO 661 HB2 PRO 661 3.594 9.004 -4.065 308 HB3 PRO 661 HB3 PRO 661 4.106 9.943 -5.475 309 HG2 PRO 661 HG2 PRO 661 5.787 9.560 -3.483 310 HG3 PRO 661 HG3 PRO 661 5.693 11.139 -4.288 311 HD2 PRO 661 HD2 PRO 661 4.636 10.319 -1.625 312 HD3 PRO 661 HD3 PRO 661 5.339 11.859 -2.138 313 H TYR 662 H TYR 662 1.416 10.368 -6.078 314 HA TYR 662 HA TYR 662 -1.073 9.994 -4.710 315 HB2 TYR 662 HB2 TYR 662 -0.200 9.386 -7.534 316 HB3 TYR 662 HB3 TYR 662 -1.836 9.100 -6.953 317 HD1 TYR 662 HD1 TYR 662 0.629 11.645 -7.877 318 HD2 TYR 662 HD2 TYR 662 -3.330 10.959 -6.480 319 HE1 TYR 662 HE1 TYR 662 0.048 13.978 -8.395 320 HE2 TYR 662 HE2 TYR 662 -3.923 13.289 -6.995 321 HH TYR 662 HH TYR 662 -1.961 15.311 -8.883 322 H CYS 663 H CYS 663 1.331 7.794 -6.077 323 HA CYS 663 HA CYS 663 0.072 5.350 -5.921 324 HB2 CYS 663 HB2 CYS 663 2.337 4.367 -5.771 325 HB3 CYS 663 HB3 CYS 663 2.215 5.622 -7.000 326 HG CYS 663 HG CYS 663 3.778 5.818 -3.971 327 H ARG 664 H ARG 664 1.663 7.086 -3.297 328 HA ARG 664 HA ARG 664 1.594 4.921 -1.477 329 HB2 ARG 664 HB2 ARG 664 2.238 6.715 0.228 330 HB3 ARG 664 HB3 ARG 664 3.368 6.388 -1.077 331 HG2 ARG 664 HG2 ARG 664 3.435 8.626 -1.306 332 HG3 ARG 664 HG3 ARG 664 1.940 8.416 -2.204 333 HD2 ARG 664 HD2 ARG 664 1.480 8.640 0.667 334 HD3 ARG 664 HD3 ARG 664 2.326 10.036 0.019 335 HE ARG 664 HE ARG 664 -0.053 9.217 -1.422 336 HH11 ARG 664 HH11 ARG 664 1.294 11.357 1.015 337 HH12 ARG 664 HH12 ARG 664 0.002 12.504 0.891 338 HH21 ARG 664 HH21 ARG 664 -1.707 10.789 -1.605 339 HH22 ARG 664 HH22 ARG 664 -1.684 12.182 -0.581 340 H ASP 665 H ASP 665 -0.326 7.756 -2.142 341 HA ASP 665 HA ASP 665 -2.031 7.935 -0.004 342 HB2 ASP 665 HB2 ASP 665 -1.860 9.364 -2.146 343 HB3 ASP 665 HB3 ASP 665 -3.034 8.240 -2.814 344 H ILE 666 H ILE 666 -2.190 5.652 -2.690 345 HA ILE 666 HA ILE 666 -4.826 4.677 -2.039 346 HB ILE 666 HB ILE 666 -2.825 3.899 -4.172 347 HG12 ILE 666 HG12 ILE 666 -5.049 4.486 -5.524 348 HG13 ILE 666 HG13 ILE 666 -5.379 5.442 -4.086 349 HG21 ILE 666 HG21 ILE 666 -4.324 2.253 -5.035 350 HG22 ILE 666 HG22 ILE 666 -5.551 2.660 -3.838 351 HG23 ILE 666 HG23 ILE 666 -4.052 1.882 -3.333 352 HD11 ILE 666 HD11 ILE 666 -3.173 6.552 -4.420 353 HD12 ILE 666 HD12 ILE 666 -4.354 6.849 -5.695 354 HD13 ILE 666 HD13 ILE 666 -3.046 5.698 -5.957 355 H ASN 667 H ASN 667 -1.495 3.808 -1.772 356 HA ASN 667 HA ASN 667 -1.617 1.195 -1.034 357 HB2 ASN 667 HB2 ASN 667 0.267 3.397 -0.883 358 HB3 ASN 667 HB3 ASN 667 0.619 2.083 0.208 359 HD21 ASN 667 HD21 ASN 667 1.131 0.069 -0.611 360 HD22 ASN 667 HD22 ASN 667 1.576 -0.161 -2.264 361 H GLN 668 H GLN 668 -1.303 3.802 1.567 362 HA GLN 668 HA GLN 668 -2.032 1.865 3.591 363 HB2 GLN 668 HB2 GLN 668 -0.967 4.395 3.825 364 HB3 GLN 668 HB3 GLN 668 -2.639 4.693 4.226 365 HG2 GLN 668 HG2 GLN 668 -1.757 2.453 5.718 366 HG3 GLN 668 HG3 GLN 668 -0.602 3.763 5.891 367 HE21 GLN 668 HE21 GLN 668 -3.912 2.791 6.410 368 HE22 GLN 668 HE22 GLN 668 -4.317 4.071 7.495 369 H LEU 669 H LEU 669 -3.627 4.356 1.757 370 HA LEU 669 HA LEU 669 -6.131 4.524 2.874 371 HB2 LEU 669 HB2 LEU 669 -4.864 5.756 0.960 372 HB3 LEU 669 HB3 LEU 669 -5.638 4.575 -0.068 373 HG LEU 669 HG LEU 669 -7.865 5.393 1.037 374 HD11 LEU 669 HD11 LEU 669 -7.005 6.797 2.756 375 HD12 LEU 669 HD12 LEU 669 -7.757 7.839 1.548 376 HD13 LEU 669 HD13 LEU 669 -6.001 7.687 1.610 377 HD21 LEU 669 HD21 LEU 669 -8.092 7.103 -0.697 378 HD22 LEU 669 HD22 LEU 669 -7.314 5.646 -1.316 379 HD23 LEU 669 HD23 LEU 669 -6.346 7.075 -0.950 380 H SER 670 H SER 670 -5.384 2.576 -0.058 381 HA SER 670 HA SER 670 -7.882 1.248 -0.013 382 HB2 SER 670 HB2 SER 670 -6.453 1.538 -2.045 383 HB3 SER 670 HB3 SER 670 -5.382 0.291 -1.412 384 HG SER 670 HG SER 670 -6.755 -1.175 -2.030 385 H GLU 671 H GLU 671 -4.616 -0.218 0.676 386 HA GLU 671 HA GLU 671 -5.948 -2.523 1.758 387 HB2 GLU 671 HB2 GLU 671 -3.513 -2.257 0.665 388 HB3 GLU 671 HB3 GLU 671 -3.088 -2.231 2.370 389 HG2 GLU 671 HG2 GLU 671 -4.678 -4.391 0.990 390 HG3 GLU 671 HG3 GLU 671 -2.975 -4.481 1.430 391 H ALA 672 H ALA 672 -3.611 -0.207 3.393 392 HA ALA 672 HA ALA 672 -4.061 -1.237 5.944 393 HB1 ALA 672 HB1 ALA 672 -2.339 0.358 5.393 394 HB2 ALA 672 HB2 ALA 672 -3.249 0.840 6.828 395 HB3 ALA 672 HB3 ALA 672 -3.559 1.627 5.279 396 H LEU 673 H LEU 673 -6.137 1.300 4.409 397 HA LEU 673 HA LEU 673 -7.602 1.757 6.834 398 HB2 LEU 673 HB2 LEU 673 -7.303 3.309 4.777 399 HB3 LEU 673 HB3 LEU 673 -8.672 2.436 4.122 400 HG LEU 673 HG LEU 673 -9.788 3.097 6.426 401 HD11 LEU 673 HD11 LEU 673 -7.793 4.113 7.389 402 HD12 LEU 673 HD12 LEU 673 -9.073 5.309 7.181 403 HD13 LEU 673 HD13 LEU 673 -7.720 5.261 6.051 404 HD21 LEU 673 HD21 LEU 673 -10.622 3.732 4.236 405 HD22 LEU 673 HD22 LEU 673 -9.412 5.011 4.127 406 HD23 LEU 673 HD23 LEU 673 -10.687 5.104 5.342 407 H LEU 674 H LEU 674 -8.248 -0.191 3.924 408 HA LEU 674 HA LEU 674 -10.871 -0.977 4.734 409 HB2 LEU 674 HB2 LEU 674 -9.012 -1.679 2.544 410 HB3 LEU 674 HB3 LEU 674 -10.206 -2.891 2.959 411 HG LEU 674 HG LEU 674 -11.920 -0.943 2.706 412 HD11 LEU 674 HD11 LEU 674 -10.292 0.865 2.523 413 HD12 LEU 674 HD12 LEU 674 -11.269 0.739 1.060 414 HD13 LEU 674 HD13 LEU 674 -9.617 0.120 1.073 415 HD21 LEU 674 HD21 LEU 674 -12.134 -1.438 0.320 416 HD22 LEU 674 HD22 LEU 674 -11.829 -2.896 1.265 417 HD23 LEU 674 HD23 LEU 674 -10.526 -2.163 0.328 418 H SER 675 H SER 675 -7.685 -2.507 4.992 419 HA SER 675 HA SER 675 -8.522 -5.025 5.931 420 HB2 SER 675 HB2 SER 675 -6.245 -4.467 5.043 421 HB3 SER 675 HB3 SER 675 -5.905 -3.650 6.567 422 HG SER 675 HG SER 675 -5.478 -5.523 7.394 423 H LEU 676 H LEU 676 -7.661 -2.065 7.710 424 HA LEU 676 HA LEU 676 -7.872 -3.243 10.303 425 HB2 LEU 676 HB2 LEU 676 -7.775 -0.386 9.361 426 HB3 LEU 676 HB3 LEU 676 -7.922 -0.810 11.055 427 HG LEU 676 HG LEU 676 -5.645 -1.892 9.425 428 HD11 LEU 676 HD11 LEU 676 -4.302 0.038 10.120 429 HD12 LEU 676 HD12 LEU 676 -5.749 0.801 10.778 430 HD13 LEU 676 HD13 LEU 676 -5.619 0.507 9.044 431 HD21 LEU 676 HD21 LEU 676 -4.520 -1.884 11.607 432 HD22 LEU 676 HD22 LEU 676 -6.006 -2.833 11.647 433 HD23 LEU 676 HD23 LEU 676 -5.973 -1.216 12.351 434 H ASN 677 H ASN 677 -10.090 -1.295 8.323 435 HA ASN 677 HA ASN 677 -12.117 -1.090 10.323 436 HB2 ASN 677 HB2 ASN 677 -12.029 -0.502 7.378 437 HB3 ASN 677 HB3 ASN 677 -13.542 -0.411 8.274 438 HD21 ASN 677 HD21 ASN 677 -13.820 1.189 9.815 439 HD22 ASN 677 HD22 ASN 677 -12.784 2.568 9.912 440 H PHE 678 H PHE 678 -11.785 -3.137 7.416 441 HA PHE 678 HA PHE 678 -14.237 -4.541 7.843 442 HB2 PHE 678 HB2 PHE 678 -12.832 -4.210 5.651 443 HB3 PHE 678 HB3 PHE 678 -12.005 -5.668 6.187 444 HD1 PHE 678 HD1 PHE 678 -13.149 -7.804 6.229 445 HD2 PHE 678 HD2 PHE 678 -15.133 -4.273 4.919 446 HE1 PHE 678 HE1 PHE 678 -14.934 -9.178 5.240 447 HE2 PHE 678 HE2 PHE 678 -16.922 -5.642 3.929 448 HZ PHE 678 HZ PHE 678 -16.824 -8.097 4.089 Start of MODEL 3 1 H1 GLY 627 H1 GLY 627 3.176 8.175 -15.089 2 H2 GLY 627 H2 GLY 627 2.962 9.454 -14.003 3 H3 GLY 627 H3 GLY 627 1.620 8.601 -14.580 4 HA2 GLY 627 HA2 GLY 627 3.761 7.502 -12.842 5 HA3 GLY 627 HA3 GLY 627 2.144 7.943 -12.315 6 H GLY 628 H GLY 628 0.460 6.561 -12.638 7 HA2 GLY 628 HA2 GLY 628 0.936 4.114 -14.196 8 HA3 GLY 628 HA3 GLY 628 0.473 3.966 -12.507 9 H ILE 629 H ILE 629 -1.542 3.221 -12.498 10 HA ILE 629 HA ILE 629 -3.574 4.730 -13.989 11 HB ILE 629 HB ILE 629 -4.851 2.518 -14.241 12 HG12 ILE 629 HG12 ILE 629 -2.277 1.076 -14.477 13 HG13 ILE 629 HG13 ILE 629 -2.788 1.410 -12.826 14 HG21 ILE 629 HG21 ILE 629 -2.374 3.045 -15.874 15 HG22 ILE 629 HG22 ILE 629 -3.967 3.764 -16.111 16 HG23 ILE 629 HG23 ILE 629 -3.731 2.037 -16.376 17 HD11 ILE 629 HD11 ILE 629 -3.532 -0.781 -13.552 18 HD12 ILE 629 HD12 ILE 629 -4.392 -0.055 -14.911 19 HD13 ILE 629 HD13 ILE 629 -4.910 0.279 -13.258 20 H ARG 630 H ARG 630 -3.055 2.368 -11.376 21 HA ARG 630 HA ARG 630 -5.084 3.774 -9.783 22 HB2 ARG 630 HB2 ARG 630 -4.895 0.783 -10.178 23 HB3 ARG 630 HB3 ARG 630 -5.809 1.529 -8.875 24 HG2 ARG 630 HG2 ARG 630 -7.247 2.640 -10.484 25 HG3 ARG 630 HG3 ARG 630 -6.303 1.967 -11.815 26 HD2 ARG 630 HD2 ARG 630 -6.910 -0.296 -11.087 27 HD3 ARG 630 HD3 ARG 630 -7.870 0.389 -9.776 28 HE ARG 630 HE ARG 630 -8.792 1.510 -12.146 29 HH11 ARG 630 HH11 ARG 630 -8.678 -1.683 -10.689 30 HH12 ARG 630 HH12 ARG 630 -10.101 -2.233 -11.508 31 HH21 ARG 630 HH21 ARG 630 -10.653 0.768 -13.208 32 HH22 ARG 630 HH22 ARG 630 -11.217 -0.846 -12.933 33 H LYS 631 H LYS 631 -2.380 1.475 -9.800 34 HA LYS 631 HA LYS 631 -0.636 1.088 -8.415 35 HB2 LYS 631 HB2 LYS 631 -1.408 3.797 -7.344 36 HB3 LYS 631 HB3 LYS 631 -0.031 2.898 -6.719 37 HG2 LYS 631 HG2 LYS 631 1.096 3.001 -8.794 38 HG3 LYS 631 HG3 LYS 631 -0.352 3.559 -9.633 39 HD2 LYS 631 HD2 LYS 631 -0.274 5.639 -8.289 40 HD3 LYS 631 HD3 LYS 631 1.239 5.079 -7.573 41 HE2 LYS 631 HE2 LYS 631 2.276 5.037 -9.783 42 HE3 LYS 631 HE3 LYS 631 0.762 5.574 -10.509 43 HZ1 LYS 631 HZ1 LYS 631 2.283 7.416 -10.220 44 HZ2 LYS 631 HZ2 LYS 631 2.396 7.110 -8.561 45 HZ3 LYS 631 HZ3 LYS 631 0.929 7.625 -9.227 46 H THR 632 H THR 632 -3.647 0.710 -7.539 47 HA THR 632 HA THR 632 -3.552 0.331 -4.711 48 HB THR 632 HB THR 632 -5.686 0.796 -5.769 49 HG1 THR 632 HG1 THR 632 -5.578 -1.821 -4.651 50 HG21 THR 632 HG21 THR 632 -6.827 -0.643 -7.275 51 HG22 THR 632 HG22 THR 632 -5.648 -1.935 -7.053 52 HG23 THR 632 HG23 THR 632 -5.194 -0.468 -7.919 53 H ARG 633 H ARG 633 -3.120 -1.733 -7.483 54 HA ARG 633 HA ARG 633 -3.238 -4.277 -6.487 55 HB2 ARG 633 HB2 ARG 633 -1.562 -3.081 -8.668 56 HB3 ARG 633 HB3 ARG 633 -1.515 -4.801 -8.311 57 HG2 ARG 633 HG2 ARG 633 -3.926 -4.946 -8.731 58 HG3 ARG 633 HG3 ARG 633 -3.953 -3.224 -9.116 59 HD2 ARG 633 HD2 ARG 633 -2.406 -3.609 -10.967 60 HD3 ARG 633 HD3 ARG 633 -2.359 -5.328 -10.576 61 HE ARG 633 HE ARG 633 -5.026 -4.501 -11.008 62 HH11 ARG 633 HH11 ARG 633 -2.085 -5.183 -12.803 63 HH12 ARG 633 HH12 ARG 633 -2.933 -5.612 -14.252 64 HH21 ARG 633 HH21 ARG 633 -6.114 -5.068 -12.915 65 HH22 ARG 633 HH22 ARG 633 -5.212 -5.546 -14.313 66 H GLU 634 H GLU 634 -0.467 -2.055 -6.049 67 HA GLU 634 HA GLU 634 1.370 -4.147 -5.417 68 HB2 GLU 634 HB2 GLU 634 1.518 -1.140 -5.265 69 HB3 GLU 634 HB3 GLU 634 2.809 -2.180 -4.682 70 HG2 GLU 634 HG2 GLU 634 3.508 -1.615 -6.814 71 HG3 GLU 634 HG3 GLU 634 2.772 -3.199 -7.045 72 H THR 635 H THR 635 -0.583 -1.796 -3.662 73 HA THR 635 HA THR 635 0.548 -2.365 -1.124 74 HB THR 635 HB THR 635 -0.383 -0.205 -1.588 75 HG1 THR 635 HG1 THR 635 -2.031 -0.427 0.346 76 HG21 THR 635 HG21 THR 635 -3.042 -0.166 -1.278 77 HG22 THR 635 HG22 THR 635 -2.890 -1.704 -2.121 78 HG23 THR 635 HG23 THR 635 -2.277 -0.229 -2.866 79 H GLU 636 H GLU 636 -2.614 -3.326 -2.515 80 HA GLU 636 HA GLU 636 -3.339 -4.731 -0.151 81 HB2 GLU 636 HB2 GLU 636 -5.310 -5.504 -1.420 82 HB3 GLU 636 HB3 GLU 636 -5.090 -3.758 -1.385 83 HG2 GLU 636 HG2 GLU 636 -4.233 -3.809 -3.668 84 HG3 GLU 636 HG3 GLU 636 -4.373 -5.566 -3.703 85 H ARG 637 H ARG 637 -2.059 -5.807 -3.264 86 HA ARG 637 HA ARG 637 -2.112 -8.595 -2.640 87 HB2 ARG 637 HB2 ARG 637 -1.788 -7.342 -4.943 88 HB3 ARG 637 HB3 ARG 637 -0.086 -7.411 -4.514 89 HG2 ARG 637 HG2 ARG 637 -0.214 -9.845 -4.373 90 HG3 ARG 637 HG3 ARG 637 -1.929 -9.780 -4.786 91 HD2 ARG 637 HD2 ARG 637 -1.364 -8.756 -6.939 92 HD3 ARG 637 HD3 ARG 637 0.348 -8.831 -6.524 93 HE ARG 637 HE ARG 637 -0.684 -11.409 -6.308 94 HH11 ARG 637 HH11 ARG 637 -0.122 -9.055 -8.854 95 HH12 ARG 637 HH12 ARG 637 0.087 -10.261 -10.079 96 HH21 ARG 637 HH21 ARG 637 -0.407 -12.969 -7.928 97 HH22 ARG 637 HH22 ARG 637 -0.074 -12.475 -9.555 98 H LEU 638 H LEU 638 0.189 -6.010 -2.320 99 HA LEU 638 HA LEU 638 2.568 -7.148 -1.554 100 HB2 LEU 638 HB2 LEU 638 2.584 -4.912 -1.994 101 HB3 LEU 638 HB3 LEU 638 1.061 -4.630 -1.210 102 HG LEU 638 HG LEU 638 3.598 -4.955 0.389 103 HD11 LEU 638 HD11 LEU 638 4.289 -3.272 -0.912 104 HD12 LEU 638 HD12 LEU 638 3.327 -2.348 0.235 105 HD13 LEU 638 HD13 LEU 638 2.654 -2.773 -1.334 106 HD21 LEU 638 HD21 LEU 638 2.315 -3.118 1.739 107 HD22 LEU 638 HD22 LEU 638 1.880 -4.818 1.938 108 HD23 LEU 638 HD23 LEU 638 0.885 -3.777 0.918 109 H ARG 639 H ARG 639 0.287 -5.727 0.638 110 HA ARG 639 HA ARG 639 1.358 -6.868 2.997 111 HB2 ARG 639 HB2 ARG 639 0.180 -4.675 2.832 112 HB3 ARG 639 HB3 ARG 639 -1.332 -5.557 2.633 113 HG2 ARG 639 HG2 ARG 639 0.298 -6.208 5.031 114 HG3 ARG 639 HG3 ARG 639 -0.520 -4.647 4.999 115 HD2 ARG 639 HD2 ARG 639 -2.656 -5.781 4.598 116 HD3 ARG 639 HD3 ARG 639 -1.834 -7.340 4.631 117 HE ARG 639 HE ARG 639 -1.283 -5.966 7.017 118 HH11 ARG 639 HH11 ARG 639 -3.987 -7.562 5.442 119 HH12 ARG 639 HH12 ARG 639 -4.764 -7.969 6.936 120 HH21 ARG 639 HH21 ARG 639 -2.319 -6.509 8.959 121 HH22 ARG 639 HH22 ARG 639 -3.820 -7.373 8.924 122 H ARG 640 H ARG 640 -1.489 -7.818 1.065 123 HA ARG 640 HA ARG 640 -2.422 -9.786 2.888 124 HB2 ARG 640 HB2 ARG 640 -2.915 -9.309 -0.036 125 HB3 ARG 640 HB3 ARG 640 -3.587 -10.713 0.782 126 HG2 ARG 640 HG2 ARG 640 -4.728 -9.221 2.368 127 HG3 ARG 640 HG3 ARG 640 -4.086 -7.829 1.494 128 HD2 ARG 640 HD2 ARG 640 -5.264 -8.542 -0.521 129 HD3 ARG 640 HD3 ARG 640 -5.889 -9.951 0.335 130 HE ARG 640 HE ARG 640 -6.572 -7.538 1.674 131 HH11 ARG 640 HH11 ARG 640 -7.506 -9.520 -1.070 132 HH12 ARG 640 HH12 ARG 640 -9.142 -8.952 -1.070 133 HH21 ARG 640 HH21 ARG 640 -8.719 -6.809 1.656 134 HH22 ARG 640 HH22 ARG 640 -9.827 -7.418 0.472 135 H GLN 641 H GLN 641 -0.258 -9.984 0.085 136 HA GLN 641 HA GLN 641 0.193 -12.832 0.580 137 HB2 GLN 641 HB2 GLN 641 0.721 -10.985 -1.716 138 HB3 GLN 641 HB3 GLN 641 1.687 -12.445 -1.566 139 HG2 GLN 641 HG2 GLN 641 -0.084 -12.987 -3.009 140 HG3 GLN 641 HG3 GLN 641 -0.483 -13.728 -1.462 141 HE21 GLN 641 HE21 GLN 641 -2.173 -12.871 -0.232 142 HE22 GLN 641 HE22 GLN 641 -3.368 -11.830 -0.921 143 H LEU 642 H LEU 642 2.693 -13.380 -0.028 144 HA LEU 642 HA LEU 642 4.198 -12.447 2.210 145 HB2 LEU 642 HB2 LEU 642 4.935 -14.223 -0.109 146 HB3 LEU 642 HB3 LEU 642 6.014 -13.883 1.228 147 HG LEU 642 HG LEU 642 3.313 -15.002 1.838 148 HD11 LEU 642 HD11 LEU 642 4.173 -17.277 1.548 149 HD12 LEU 642 HD12 LEU 642 5.646 -16.625 0.831 150 HD13 LEU 642 HD13 LEU 642 4.097 -16.407 0.016 151 HD21 LEU 642 HD21 LEU 642 6.054 -15.406 3.037 152 HD22 LEU 642 HD22 LEU 642 4.542 -16.068 3.660 153 HD23 LEU 642 HD23 LEU 642 4.805 -14.324 3.655 154 H LEU 643 H LEU 643 4.078 -11.485 -1.137 155 HA LEU 643 HA LEU 643 6.614 -10.056 -0.976 156 HB2 LEU 643 HB2 LEU 643 4.630 -10.395 -3.227 157 HB3 LEU 643 HB3 LEU 643 6.078 -9.418 -3.354 158 HG LEU 643 HG LEU 643 6.357 -12.286 -2.562 159 HD11 LEU 643 HD11 LEU 643 6.460 -12.936 -4.921 160 HD12 LEU 643 HD12 LEU 643 5.931 -11.319 -5.385 161 HD13 LEU 643 HD13 LEU 643 4.852 -12.370 -4.468 162 HD21 LEU 643 HD21 LEU 643 8.316 -10.821 -2.548 163 HD22 LEU 643 HD22 LEU 643 8.031 -10.417 -4.241 164 HD23 LEU 643 HD23 LEU 643 8.460 -12.067 -3.789 165 H GLU 644 H GLU 644 6.361 -8.390 0.398 166 HA GLU 644 HA GLU 644 4.117 -6.555 0.184 167 HB2 GLU 644 HB2 GLU 644 6.307 -7.097 2.124 168 HB3 GLU 644 HB3 GLU 644 5.616 -5.485 2.117 169 HG2 GLU 644 HG2 GLU 644 3.421 -6.400 2.551 170 HG3 GLU 644 HG3 GLU 644 4.065 -8.037 2.476 171 H VAL 645 H VAL 645 4.342 -5.190 -1.609 172 HA VAL 645 HA VAL 645 6.992 -4.404 -2.520 173 HB VAL 645 HB VAL 645 4.147 -3.948 -3.472 174 HG11 VAL 645 HG11 VAL 645 6.662 -3.116 -4.989 175 HG12 VAL 645 HG12 VAL 645 5.578 -1.990 -4.174 176 HG13 VAL 645 HG13 VAL 645 4.990 -2.954 -5.529 177 HG21 VAL 645 HG21 VAL 645 5.038 -6.190 -3.731 178 HG22 VAL 645 HG22 VAL 645 6.464 -5.573 -4.567 179 HG23 VAL 645 HG23 VAL 645 4.872 -5.422 -5.311 180 H PHE 646 H PHE 646 4.253 -2.020 -2.345 181 HA PHE 646 HA PHE 646 6.098 0.118 -1.717 182 HB2 PHE 646 HB2 PHE 646 3.294 0.025 -2.676 183 HB3 PHE 646 HB3 PHE 646 3.782 1.436 -1.730 184 HD1 PHE 646 HD1 PHE 646 5.527 2.935 -2.566 185 HD2 PHE 646 HD2 PHE 646 4.128 -0.337 -4.897 186 HE1 PHE 646 HE1 PHE 646 6.543 3.934 -4.571 187 HE2 PHE 646 HE2 PHE 646 5.142 0.654 -6.906 188 HZ PHE 646 HZ PHE 646 6.352 2.793 -6.745 189 H TRP 647 H TRP 647 3.081 -0.951 -0.493 190 HA TRP 647 HA TRP 647 3.041 0.507 1.881 191 HB2 TRP 647 HB2 TRP 647 1.046 -0.107 0.577 192 HB3 TRP 647 HB3 TRP 647 1.315 -1.795 0.933 193 HD1 TRP 647 HD1 TRP 647 -0.720 0.930 1.952 194 HE1 TRP 647 HE1 TRP 647 -1.769 0.661 4.276 195 HE3 TRP 647 HE3 TRP 647 2.150 -2.929 3.755 196 HZ2 TRP 647 HZ2 TRP 647 -1.462 -0.947 6.545 197 HZ3 TRP 647 HZ3 TRP 647 1.682 -3.766 6.010 198 HH2 TRP 647 HH2 TRP 647 -0.084 -2.795 7.379 199 H GLY 648 H GLY 648 4.217 -2.833 1.278 200 HA2 GLY 648 HA2 GLY 648 4.659 -2.953 4.194 201 HA3 GLY 648 HA3 GLY 648 4.263 -4.357 3.247 202 H GLN 649 H GLN 649 6.703 -2.477 1.565 203 HA GLN 649 HA GLN 649 8.624 -4.479 1.888 204 HB2 GLN 649 HB2 GLN 649 8.451 -2.251 0.334 205 HB3 GLN 649 HB3 GLN 649 9.778 -1.818 1.404 206 HG2 GLN 649 HG2 GLN 649 9.726 -4.425 -0.083 207 HG3 GLN 649 HG3 GLN 649 10.356 -2.946 -0.800 208 HE21 GLN 649 HE21 GLN 649 12.264 -2.063 -0.020 209 HE22 GLN 649 HE22 GLN 649 13.348 -2.951 0.991 210 H ASP 650 H ASP 650 8.561 -1.362 3.718 211 HA ASP 650 HA ASP 650 10.179 -2.630 5.820 212 HB2 ASP 650 HB2 ASP 650 10.886 -0.032 4.432 213 HB3 ASP 650 HB3 ASP 650 11.576 -0.514 5.978 214 H HIS 651 H HIS 651 10.449 0.256 6.995 215 HA HIS 651 HA HIS 651 8.051 0.215 8.577 216 HB2 HIS 651 HB2 HIS 651 10.463 0.940 9.253 217 HB3 HIS 651 HB3 HIS 651 10.002 2.501 8.583 218 HD1 HIS 651 HD1 HIS 651 8.602 4.004 10.036 219 HD2 HIS 651 HD2 HIS 651 8.882 0.138 11.534 220 HE1 HIS 651 HE1 HIS 651 7.575 4.096 12.329 221 HE2 HIS 651 HE2 HIS 651 7.754 1.745 13.218 222 H LYS 652 H LYS 652 9.452 2.645 6.423 223 HA LYS 652 HA LYS 652 7.493 4.575 6.341 224 HB2 LYS 652 HB2 LYS 652 8.470 5.219 4.117 225 HB3 LYS 652 HB3 LYS 652 9.618 5.076 5.435 226 HG2 LYS 652 HG2 LYS 652 10.322 2.887 4.586 227 HG3 LYS 652 HG3 LYS 652 9.161 3.029 3.264 228 HD2 LYS 652 HD2 LYS 652 10.325 5.031 2.463 229 HD3 LYS 652 HD3 LYS 652 11.486 4.884 3.785 230 HE2 LYS 652 HE2 LYS 652 12.191 2.706 2.921 231 HE3 LYS 652 HE3 LYS 652 11.029 2.852 1.602 232 HZ1 LYS 652 HZ1 LYS 652 13.252 3.466 0.892 233 HZ2 LYS 652 HZ2 LYS 652 13.335 4.662 2.085 234 HZ3 LYS 652 HZ3 LYS 652 12.220 4.806 0.821 235 H VAL 653 H VAL 653 7.567 1.636 4.563 236 HA VAL 653 HA VAL 653 5.983 2.052 2.403 237 HB VAL 653 HB VAL 653 5.570 -0.402 2.470 238 HG11 VAL 653 HG11 VAL 653 7.569 0.606 1.453 239 HG12 VAL 653 HG12 VAL 653 7.893 -0.984 2.137 240 HG13 VAL 653 HG13 VAL 653 8.412 0.463 2.997 241 HG21 VAL 653 HG21 VAL 653 6.845 -1.679 4.200 242 HG22 VAL 653 HG22 VAL 653 5.417 -0.846 4.809 243 HG23 VAL 653 HG23 VAL 653 7.020 -0.172 5.100 244 H ASP 654 H ASP 654 4.561 0.491 5.405 245 HA ASP 654 HA ASP 654 1.879 0.692 4.542 246 HB2 ASP 654 HB2 ASP 654 1.183 0.441 6.915 247 HB3 ASP 654 HB3 ASP 654 2.319 -0.786 6.372 248 H PHE 655 H PHE 655 3.993 2.770 5.731 249 HA PHE 655 HA PHE 655 2.501 4.893 6.878 250 HB2 PHE 655 HB2 PHE 655 5.023 4.226 7.267 251 HB3 PHE 655 HB3 PHE 655 5.295 5.286 5.889 252 HD1 PHE 655 HD1 PHE 655 4.039 5.128 9.352 253 HD2 PHE 655 HD2 PHE 655 5.134 7.644 6.100 254 HE1 PHE 655 HE1 PHE 655 3.983 7.079 10.849 255 HE2 PHE 655 HE2 PHE 655 5.081 9.601 7.591 256 HZ PHE 655 HZ PHE 655 4.505 9.320 9.968 257 H ILE 656 H ILE 656 3.428 3.834 3.738 258 HA ILE 656 HA ILE 656 3.909 5.841 2.107 259 HB ILE 656 HB ILE 656 1.917 4.757 0.554 260 HG12 ILE 656 HG12 ILE 656 1.489 2.432 0.971 261 HG13 ILE 656 HG13 ILE 656 2.565 2.400 2.361 262 HG21 ILE 656 HG21 ILE 656 4.453 4.664 0.249 263 HG22 ILE 656 HG22 ILE 656 3.577 3.248 -0.330 264 HG23 ILE 656 HG23 ILE 656 4.435 3.186 1.202 265 HD11 ILE 656 HD11 ILE 656 0.295 2.372 3.035 266 HD12 ILE 656 HD12 ILE 656 -0.021 3.857 2.132 267 HD13 ILE 656 HD13 ILE 656 1.049 3.882 3.536 268 H LEU 657 H LEU 657 0.403 5.314 3.101 269 HA LEU 657 HA LEU 657 -0.254 7.634 1.558 270 HB2 LEU 657 HB2 LEU 657 -2.101 6.387 1.473 271 HB3 LEU 657 HB3 LEU 657 -1.883 5.721 3.064 272 HG LEU 657 HG LEU 657 -2.672 8.006 3.977 273 HD11 LEU 657 HD11 LEU 657 -4.185 9.241 2.456 274 HD12 LEU 657 HD12 LEU 657 -3.570 8.273 1.117 275 HD13 LEU 657 HD13 LEU 657 -2.484 9.344 2.002 276 HD21 LEU 657 HD21 LEU 657 -4.192 5.778 2.942 277 HD22 LEU 657 HD22 LEU 657 -5.122 7.275 2.927 278 HD23 LEU 657 HD23 LEU 657 -4.403 6.702 4.431 279 H GLN 658 H GLN 658 0.277 7.121 4.997 280 HA GLN 658 HA GLN 658 -0.588 9.551 6.025 281 HB2 GLN 658 HB2 GLN 658 1.690 7.755 6.828 282 HB3 GLN 658 HB3 GLN 658 1.290 9.206 7.735 283 HG2 GLN 658 HG2 GLN 658 -0.955 8.337 8.142 284 HG3 GLN 658 HG3 GLN 658 -0.557 6.883 7.228 285 HE21 GLN 658 HE21 GLN 658 0.846 5.370 8.116 286 HE22 GLN 658 HE22 GLN 658 1.239 5.355 9.798 287 H ARG 659 H ARG 659 1.796 9.166 3.690 288 HA ARG 659 HA ARG 659 3.360 11.518 4.406 289 HB2 ARG 659 HB2 ARG 659 3.582 9.528 2.135 290 HB3 ARG 659 HB3 ARG 659 4.631 10.929 2.296 291 HG2 ARG 659 HG2 ARG 659 5.276 10.034 4.567 292 HG3 ARG 659 HG3 ARG 659 4.430 8.552 4.120 293 HD2 ARG 659 HD2 ARG 659 6.695 8.173 3.592 294 HD3 ARG 659 HD3 ARG 659 5.897 8.500 2.055 295 HE ARG 659 HE ARG 659 6.796 10.930 2.725 296 HH11 ARG 659 HH11 ARG 659 8.452 7.833 2.688 297 HH12 ARG 659 HH12 ARG 659 9.999 8.535 2.353 298 HH21 ARG 659 HH21 ARG 659 8.831 11.827 2.287 299 HH22 ARG 659 HH22 ARG 659 10.212 10.794 2.126 300 H GLU 660 H GLU 660 3.833 12.276 1.569 301 HA GLU 660 HA GLU 660 1.342 13.773 1.144 302 HB2 GLU 660 HB2 GLU 660 4.209 14.436 0.558 303 HB3 GLU 660 HB3 GLU 660 2.896 15.296 -0.233 304 HG2 GLU 660 HG2 GLU 660 2.031 15.986 1.938 305 HG3 GLU 660 HG3 GLU 660 3.329 15.104 2.741 306 HA PRO 661 HA PRO 661 2.917 12.314 -3.407 307 HB2 PRO 661 HB2 PRO 661 3.640 9.562 -2.520 308 HB3 PRO 661 HB3 PRO 661 4.326 10.540 -3.825 309 HG2 PRO 661 HG2 PRO 661 5.673 10.261 -1.585 310 HG3 PRO 661 HG3 PRO 661 5.585 11.848 -2.377 311 HD2 PRO 661 HD2 PRO 661 4.120 10.861 0.032 312 HD3 PRO 661 HD3 PRO 661 4.828 12.456 -0.283 313 H TYR 662 H TYR 662 1.576 11.245 -4.850 314 HA TYR 662 HA TYR 662 -0.995 10.491 -3.877 315 HB2 TYR 662 HB2 TYR 662 0.201 10.531 -6.642 316 HB3 TYR 662 HB3 TYR 662 -1.467 10.066 -6.327 317 HD1 TYR 662 HD1 TYR 662 0.921 12.840 -6.406 318 HD2 TYR 662 HD2 TYR 662 -3.113 11.723 -5.647 319 HE1 TYR 662 HE1 TYR 662 0.258 15.207 -6.483 320 HE2 TYR 662 HE2 TYR 662 -3.788 14.086 -5.723 321 HH TYR 662 HH TYR 662 -1.763 16.540 -6.903 322 H CYS 663 H CYS 663 1.660 8.682 -5.380 323 HA CYS 663 HA CYS 663 0.384 6.209 -5.737 324 HB2 CYS 663 HB2 CYS 663 2.526 6.826 -6.787 325 HB3 CYS 663 HB3 CYS 663 3.313 6.760 -5.216 326 HG CYS 663 HG CYS 663 1.725 3.947 -6.177 327 H ARG 664 H ARG 664 2.092 7.503 -2.938 328 HA ARG 664 HA ARG 664 2.080 5.064 -1.474 329 HB2 ARG 664 HB2 ARG 664 2.675 7.871 -0.493 330 HB3 ARG 664 HB3 ARG 664 3.086 6.371 0.342 331 HG2 ARG 664 HG2 ARG 664 4.563 5.810 -1.616 332 HG3 ARG 664 HG3 ARG 664 4.269 7.433 -2.229 333 HD2 ARG 664 HD2 ARG 664 5.186 8.385 -0.176 334 HD3 ARG 664 HD3 ARG 664 5.466 6.763 0.456 335 HE ARG 664 HE ARG 664 6.768 7.606 -2.038 336 HH11 ARG 664 HH11 ARG 664 7.056 6.578 1.308 337 HH12 ARG 664 HH12 ARG 664 8.766 6.321 1.201 338 HH21 ARG 664 HH21 ARG 664 9.005 7.261 -2.155 339 HH22 ARG 664 HH22 ARG 664 9.867 6.708 -0.758 340 H ASP 665 H ASP 665 0.347 8.043 -1.641 341 HA ASP 665 HA ASP 665 -1.421 8.002 0.444 342 HB2 ASP 665 HB2 ASP 665 -1.257 9.253 -2.170 343 HB3 ASP 665 HB3 ASP 665 -2.915 9.013 -1.636 344 H ILE 666 H ILE 666 -1.528 6.086 -2.483 345 HA ILE 666 HA ILE 666 -4.323 5.430 -2.234 346 HB ILE 666 HB ILE 666 -3.239 5.843 -4.500 347 HG12 ILE 666 HG12 ILE 666 -4.386 3.655 -5.465 348 HG13 ILE 666 HG13 ILE 666 -4.948 3.499 -3.805 349 HG21 ILE 666 HG21 ILE 666 -1.732 3.442 -3.718 350 HG22 ILE 666 HG22 ILE 666 -1.304 4.741 -4.833 351 HG23 ILE 666 HG23 ILE 666 -2.374 3.440 -5.359 352 HD11 ILE 666 HD11 ILE 666 -5.401 5.871 -5.604 353 HD12 ILE 666 HD12 ILE 666 -5.975 5.707 -3.944 354 HD13 ILE 666 HD13 ILE 666 -6.586 4.629 -5.199 355 H ASN 667 H ASN 667 -1.153 4.152 -1.815 356 HA ASN 667 HA ASN 667 -1.546 1.488 -1.501 357 HB2 ASN 667 HB2 ASN 667 0.396 3.492 -0.783 358 HB3 ASN 667 HB3 ASN 667 0.393 2.141 0.326 359 HD21 ASN 667 HD21 ASN 667 0.755 3.099 -3.010 360 HD22 ASN 667 HD22 ASN 667 1.645 1.710 -3.520 361 H GLN 668 H GLN 668 -1.370 3.662 1.483 362 HA GLN 668 HA GLN 668 -2.567 1.480 2.979 363 HB2 GLN 668 HB2 GLN 668 -1.766 2.396 4.828 364 HB3 GLN 668 HB3 GLN 668 -1.116 3.707 3.900 365 HG2 GLN 668 HG2 GLN 668 -2.731 5.168 4.612 366 HG3 GLN 668 HG3 GLN 668 -3.946 3.910 4.782 367 HE21 GLN 668 HE21 GLN 668 -1.237 5.517 6.253 368 HE22 GLN 668 HE22 GLN 668 -1.495 4.924 7.855 369 H LEU 669 H LEU 669 -3.626 4.449 1.576 370 HA LEU 669 HA LEU 669 -6.223 4.664 2.448 371 HB2 LEU 669 HB2 LEU 669 -4.705 5.951 0.693 372 HB3 LEU 669 HB3 LEU 669 -5.522 4.907 -0.452 373 HG LEU 669 HG LEU 669 -7.205 6.516 1.432 374 HD11 LEU 669 HD11 LEU 669 -7.223 8.297 -0.379 375 HD12 LEU 669 HD12 LEU 669 -5.728 7.565 -0.962 376 HD13 LEU 669 HD13 LEU 669 -5.806 8.237 0.667 377 HD21 LEU 669 HD21 LEU 669 -8.744 6.508 -0.475 378 HD22 LEU 669 HD22 LEU 669 -8.280 4.871 -0.012 379 HD23 LEU 669 HD23 LEU 669 -7.553 5.626 -1.431 380 H SER 670 H SER 670 -5.036 2.828 -0.389 381 HA SER 670 HA SER 670 -7.496 1.423 -0.756 382 HB2 SER 670 HB2 SER 670 -4.762 1.056 -1.962 383 HB3 SER 670 HB3 SER 670 -6.117 0.000 -2.359 384 HG SER 670 HG SER 670 -6.372 2.800 -2.534 385 H GLU 671 H GLU 671 -4.229 0.160 0.403 386 HA GLU 671 HA GLU 671 -5.494 -2.367 1.037 387 HB2 GLU 671 HB2 GLU 671 -3.071 -2.075 0.384 388 HB3 GLU 671 HB3 GLU 671 -2.791 -1.439 1.997 389 HG2 GLU 671 HG2 GLU 671 -4.036 -4.136 1.635 390 HG3 GLU 671 HG3 GLU 671 -2.289 -3.925 1.503 391 H ALA 672 H ALA 672 -3.787 -0.086 3.237 392 HA ALA 672 HA ALA 672 -4.672 -1.157 5.612 393 HB1 ALA 672 HB1 ALA 672 -2.961 0.507 5.542 394 HB2 ALA 672 HB2 ALA 672 -4.227 1.006 6.663 395 HB3 ALA 672 HB3 ALA 672 -4.127 1.736 5.063 396 H LEU 673 H LEU 673 -6.574 1.317 3.744 397 HA LEU 673 HA LEU 673 -8.504 1.561 5.858 398 HB2 LEU 673 HB2 LEU 673 -7.943 3.232 3.959 399 HB3 LEU 673 HB3 LEU 673 -9.090 2.300 3.018 400 HG LEU 673 HG LEU 673 -10.663 2.760 5.101 401 HD11 LEU 673 HD11 LEU 673 -8.762 5.101 5.170 402 HD12 LEU 673 HD12 LEU 673 -8.960 3.889 6.436 403 HD13 LEU 673 HD13 LEU 673 -10.290 4.979 6.043 404 HD21 LEU 673 HD21 LEU 673 -10.040 4.786 2.956 405 HD22 LEU 673 HD22 LEU 673 -11.513 4.742 3.926 406 HD23 LEU 673 HD23 LEU 673 -11.147 3.419 2.819 407 H LEU 674 H LEU 674 -8.433 -0.301 2.825 408 HA LEU 674 HA LEU 674 -11.108 -1.267 3.073 409 HB2 LEU 674 HB2 LEU 674 -8.790 -1.932 1.314 410 HB3 LEU 674 HB3 LEU 674 -10.158 -3.025 1.367 411 HG LEU 674 HG LEU 674 -10.582 -0.106 0.799 412 HD11 LEU 674 HD11 LEU 674 -9.853 -2.224 -1.220 413 HD12 LEU 674 HD12 LEU 674 -8.862 -0.838 -0.764 414 HD13 LEU 674 HD13 LEU 674 -10.400 -0.588 -1.591 415 HD21 LEU 674 HD21 LEU 674 -12.531 -0.946 -0.409 416 HD22 LEU 674 HD22 LEU 674 -12.541 -1.508 1.262 417 HD23 LEU 674 HD23 LEU 674 -12.062 -2.604 -0.033 418 H SER 675 H SER 675 -7.949 -2.636 3.919 419 HA SER 675 HA SER 675 -8.938 -5.210 4.645 420 HB2 SER 675 HB2 SER 675 -6.581 -4.717 3.951 421 HB3 SER 675 HB3 SER 675 -6.340 -3.932 5.511 422 HG SER 675 HG SER 675 -7.022 -6.651 5.057 423 H LEU 676 H LEU 676 -8.143 -2.299 6.534 424 HA LEU 676 HA LEU 676 -8.577 -3.519 9.078 425 HB2 LEU 676 HB2 LEU 676 -7.975 -0.810 8.077 426 HB3 LEU 676 HB3 LEU 676 -8.833 -0.873 9.603 427 HG LEU 676 HG LEU 676 -6.945 -2.521 10.320 428 HD11 LEU 676 HD11 LEU 676 -5.925 -2.810 8.131 429 HD12 LEU 676 HD12 LEU 676 -4.788 -2.062 9.253 430 HD13 LEU 676 HD13 LEU 676 -5.602 -1.078 8.037 431 HD21 LEU 676 HD21 LEU 676 -5.580 -0.633 11.071 432 HD22 LEU 676 HD22 LEU 676 -7.302 -0.327 11.297 433 HD23 LEU 676 HD23 LEU 676 -6.442 0.428 9.956 434 H ASN 677 H ASN 677 -10.599 -1.430 7.017 435 HA ASN 677 HA ASN 677 -12.755 -1.281 8.884 436 HB2 ASN 677 HB2 ASN 677 -12.415 -0.498 6.010 437 HB3 ASN 677 HB3 ASN 677 -14.016 -0.483 6.744 438 HD21 ASN 677 HD21 ASN 677 -10.836 0.930 6.766 439 HD22 ASN 677 HD22 ASN 677 -11.246 2.330 7.692 440 H PHE 678 H PHE 678 -12.489 -2.995 5.743 441 HA PHE 678 HA PHE 678 -14.887 -4.495 6.153 442 HB2 PHE 678 HB2 PHE 678 -12.679 -4.629 4.113 443 HB3 PHE 678 HB3 PHE 678 -13.976 -5.819 4.140 444 HD1 PHE 678 HD1 PHE 678 -13.126 -2.310 3.528 445 HD2 PHE 678 HD2 PHE 678 -16.217 -5.234 3.495 446 HE1 PHE 678 HE1 PHE 678 -14.548 -0.786 2.220 447 HE2 PHE 678 HE2 PHE 678 -17.644 -3.717 2.186 448 HZ PHE 678 HZ PHE 678 -16.810 -1.489 1.548 Start of MODEL 4 1 H1 GLY 627 H1 GLY 627 0.078 1.735 -22.493 2 H2 GLY 627 H2 GLY 627 -1.120 2.815 -21.984 3 H3 GLY 627 H3 GLY 627 -1.511 1.195 -22.273 4 HA2 GLY 627 HA2 GLY 627 -0.103 0.494 -20.437 5 HA3 GLY 627 HA3 GLY 627 0.302 2.177 -20.136 6 H GLY 628 H GLY 628 -0.524 2.290 -18.086 7 HA2 GLY 628 HA2 GLY 628 -3.337 2.772 -17.860 8 HA3 GLY 628 HA3 GLY 628 -2.868 1.274 -17.071 9 H ILE 629 H ILE 629 -3.210 1.859 -14.985 10 HA ILE 629 HA ILE 629 -1.489 4.001 -13.928 11 HB ILE 629 HB ILE 629 -3.256 4.259 -12.081 12 HG12 ILE 629 HG12 ILE 629 -5.627 3.926 -13.281 13 HG13 ILE 629 HG13 ILE 629 -4.767 2.597 -14.051 14 HG21 ILE 629 HG21 ILE 629 -2.762 5.981 -13.697 15 HG22 ILE 629 HG22 ILE 629 -4.498 5.915 -13.396 16 HG23 ILE 629 HG23 ILE 629 -3.832 5.221 -14.875 17 HD11 ILE 629 HD11 ILE 629 -5.105 3.002 -11.087 18 HD12 ILE 629 HD12 ILE 629 -4.241 1.670 -11.854 19 HD13 ILE 629 HD13 ILE 629 -5.980 1.845 -12.090 20 H ARG 630 H ARG 630 -0.321 3.580 -12.130 21 HA ARG 630 HA ARG 630 -0.573 0.881 -10.975 22 HB2 ARG 630 HB2 ARG 630 1.539 1.630 -12.372 23 HB3 ARG 630 HB3 ARG 630 2.000 2.410 -10.867 24 HG2 ARG 630 HG2 ARG 630 1.866 0.250 -9.715 25 HG3 ARG 630 HG3 ARG 630 1.429 -0.526 -11.239 26 HD2 ARG 630 HD2 ARG 630 3.564 0.164 -12.205 27 HD3 ARG 630 HD3 ARG 630 3.997 0.962 -10.694 28 HE ARG 630 HE ARG 630 3.394 -1.732 -10.171 29 HH11 ARG 630 HH11 ARG 630 5.897 0.173 -11.734 30 HH12 ARG 630 HH12 ARG 630 7.136 -1.000 -11.436 31 HH21 ARG 630 HH21 ARG 630 5.032 -3.253 -9.792 32 HH22 ARG 630 HH22 ARG 630 6.645 -2.938 -10.338 33 H LYS 631 H LYS 631 -1.899 1.389 -9.283 34 HA LYS 631 HA LYS 631 -0.670 2.838 -7.063 35 HB2 LYS 631 HB2 LYS 631 -3.379 3.504 -8.226 36 HB3 LYS 631 HB3 LYS 631 -2.936 3.924 -6.579 37 HG2 LYS 631 HG2 LYS 631 -1.129 5.317 -7.381 38 HG3 LYS 631 HG3 LYS 631 -1.465 4.834 -9.045 39 HD2 LYS 631 HD2 LYS 631 -3.691 5.851 -8.883 40 HD3 LYS 631 HD3 LYS 631 -3.345 6.340 -7.224 41 HE2 LYS 631 HE2 LYS 631 -2.957 8.251 -8.548 42 HE3 LYS 631 HE3 LYS 631 -1.363 7.611 -8.155 43 HZ1 LYS 631 HZ1 LYS 631 -2.812 7.190 -10.715 44 HZ2 LYS 631 HZ2 LYS 631 -1.281 6.576 -10.339 45 HZ3 LYS 631 HZ3 LYS 631 -1.510 8.246 -10.479 46 H THR 632 H THR 632 -3.495 0.976 -8.148 47 HA THR 632 HA THR 632 -4.272 0.004 -5.604 48 HB THR 632 HB THR 632 -5.540 -1.739 -6.960 49 HG1 THR 632 HG1 THR 632 -4.844 -0.133 -9.187 50 HG21 THR 632 HG21 THR 632 -6.580 0.339 -6.200 51 HG22 THR 632 HG22 THR 632 -7.165 -0.106 -7.803 52 HG23 THR 632 HG23 THR 632 -5.969 1.177 -7.626 53 H ARG 633 H ARG 633 -2.221 -1.340 -8.140 54 HA ARG 633 HA ARG 633 -1.942 -3.953 -7.242 55 HB2 ARG 633 HB2 ARG 633 -0.109 -2.177 -8.828 56 HB3 ARG 633 HB3 ARG 633 0.292 -3.852 -8.479 57 HG2 ARG 633 HG2 ARG 633 -1.724 -4.590 -9.630 58 HG3 ARG 633 HG3 ARG 633 -2.160 -2.911 -9.955 59 HD2 ARG 633 HD2 ARG 633 -0.099 -2.639 -11.256 60 HD3 ARG 633 HD3 ARG 633 0.315 -4.324 -10.944 61 HE ARG 633 HE ARG 633 -2.203 -4.327 -12.094 62 HH11 ARG 633 HH11 ARG 633 1.030 -3.359 -13.065 63 HH12 ARG 633 HH12 ARG 633 0.741 -3.666 -14.745 64 HH21 ARG 633 HH21 ARG 633 -2.559 -4.720 -14.298 65 HH22 ARG 633 HH22 ARG 633 -1.289 -4.435 -15.441 66 H GLU 634 H GLU 634 0.112 -1.137 -6.299 67 HA GLU 634 HA GLU 634 1.916 -2.725 -4.838 68 HB2 GLU 634 HB2 GLU 634 1.485 0.257 -5.024 69 HB3 GLU 634 HB3 GLU 634 2.734 -0.476 -4.030 70 HG2 GLU 634 HG2 GLU 634 3.868 0.096 -5.964 71 HG3 GLU 634 HG3 GLU 634 3.507 -1.609 -6.211 72 H THR 635 H THR 635 -0.895 -0.675 -4.019 73 HA THR 635 HA THR 635 -0.378 -0.764 -1.242 74 HB THR 635 HB THR 635 -1.748 0.977 -2.069 75 HG1 THR 635 HG1 THR 635 -2.996 0.897 -0.387 76 HG21 THR 635 HG21 THR 635 -3.647 0.847 -3.384 77 HG22 THR 635 HG22 THR 635 -3.982 -0.819 -2.916 78 HG23 THR 635 HG23 THR 635 -2.660 -0.466 -4.028 79 H GLU 636 H GLU 636 -3.167 -2.356 -2.815 80 HA GLU 636 HA GLU 636 -3.358 -4.148 -0.616 81 HB2 GLU 636 HB2 GLU 636 -5.446 -4.928 -1.608 82 HB3 GLU 636 HB3 GLU 636 -5.360 -3.187 -1.337 83 HG2 GLU 636 HG2 GLU 636 -4.946 -2.841 -3.728 84 HG3 GLU 636 HG3 GLU 636 -5.000 -4.582 -4.005 85 H ARG 637 H ARG 637 -2.386 -4.571 -3.983 86 HA ARG 637 HA ARG 637 -2.332 -7.425 -3.817 87 HB2 ARG 637 HB2 ARG 637 -2.398 -5.814 -5.912 88 HB3 ARG 637 HB3 ARG 637 -0.652 -5.987 -5.816 89 HG2 ARG 637 HG2 ARG 637 -0.896 -8.424 -5.972 90 HG3 ARG 637 HG3 ARG 637 -2.645 -8.229 -6.102 91 HD2 ARG 637 HD2 ARG 637 -2.349 -6.932 -8.153 92 HD3 ARG 637 HD3 ARG 637 -0.600 -7.113 -8.019 93 HE ARG 637 HE ARG 637 -1.822 -9.654 -8.020 94 HH11 ARG 637 HH11 ARG 637 -1.117 -7.015 -10.228 95 HH12 ARG 637 HH12 ARG 637 -1.061 -8.044 -11.621 96 HH21 ARG 637 HH21 ARG 637 -1.744 -10.981 -9.857 97 HH22 ARG 637 HH22 ARG 637 -1.416 -10.287 -11.410 98 H LEU 638 H LEU 638 0.134 -4.886 -3.380 99 HA LEU 638 HA LEU 638 2.425 -6.473 -3.246 100 HB2 LEU 638 HB2 LEU 638 3.299 -4.447 -3.014 101 HB3 LEU 638 HB3 LEU 638 1.700 -3.797 -2.823 102 HG LEU 638 HG LEU 638 3.540 -4.577 -0.539 103 HD11 LEU 638 HD11 LEU 638 4.550 -2.741 -1.325 104 HD12 LEU 638 HD12 LEU 638 3.308 -1.966 -0.355 105 HD13 LEU 638 HD13 LEU 638 3.085 -2.125 -2.091 106 HD21 LEU 638 HD21 LEU 638 2.016 -3.052 0.820 107 HD22 LEU 638 HD22 LEU 638 1.349 -4.626 0.393 108 HD23 LEU 638 HD23 LEU 638 0.841 -3.200 -0.501 109 H ARG 639 H ARG 639 0.446 -5.309 -0.592 110 HA ARG 639 HA ARG 639 1.630 -6.921 1.414 111 HB2 ARG 639 HB2 ARG 639 0.441 -4.926 2.012 112 HB3 ARG 639 HB3 ARG 639 -1.042 -5.534 1.291 113 HG2 ARG 639 HG2 ARG 639 0.134 -7.118 3.520 114 HG3 ARG 639 HG3 ARG 639 -0.626 -5.578 3.918 115 HD2 ARG 639 HD2 ARG 639 -2.692 -6.318 2.831 116 HD3 ARG 639 HD3 ARG 639 -1.931 -7.856 2.428 117 HE ARG 639 HE ARG 639 -1.859 -7.291 5.232 118 HH11 ARG 639 HH11 ARG 639 -3.902 -8.591 2.688 119 HH12 ARG 639 HH12 ARG 639 -4.847 -9.549 3.780 120 HH21 ARG 639 HH21 ARG 639 -3.109 -8.552 6.641 121 HH22 ARG 639 HH22 ARG 639 -4.397 -9.526 6.015 122 H ARG 640 H ARG 640 -1.246 -7.527 -0.603 123 HA ARG 640 HA ARG 640 -2.120 -9.879 0.692 124 HB2 ARG 640 HB2 ARG 640 -3.224 -8.340 -1.169 125 HB3 ARG 640 HB3 ARG 640 -2.549 -9.557 -2.242 126 HG2 ARG 640 HG2 ARG 640 -3.779 -11.298 -1.039 127 HG3 ARG 640 HG3 ARG 640 -4.460 -10.071 0.031 128 HD2 ARG 640 HD2 ARG 640 -5.520 -8.988 -1.892 129 HD3 ARG 640 HD3 ARG 640 -4.838 -10.214 -2.959 130 HE ARG 640 HE ARG 640 -6.316 -11.496 -0.952 131 HH11 ARG 640 HH11 ARG 640 -6.891 -9.455 -3.752 132 HH12 ARG 640 HH12 ARG 640 -8.472 -10.100 -4.041 133 HH21 ARG 640 HH21 ARG 640 -8.388 -12.325 -1.349 134 HH22 ARG 640 HH22 ARG 640 -9.318 -11.723 -2.681 135 H GLN 641 H GLN 641 0.088 -9.398 -2.038 136 HA GLN 641 HA GLN 641 0.608 -12.262 -2.240 137 HB2 GLN 641 HB2 GLN 641 1.412 -9.874 -3.895 138 HB3 GLN 641 HB3 GLN 641 2.161 -11.446 -4.131 139 HG2 GLN 641 HG2 GLN 641 -0.119 -12.386 -4.522 140 HG3 GLN 641 HG3 GLN 641 -0.741 -10.736 -4.479 141 HE21 GLN 641 HE21 GLN 641 1.156 -13.045 -6.248 142 HE22 GLN 641 HE22 GLN 641 1.230 -12.157 -7.729 143 H LEU 642 H LEU 642 3.121 -12.689 -2.722 144 HA LEU 642 HA LEU 642 4.477 -12.175 -0.248 145 HB2 LEU 642 HB2 LEU 642 5.322 -13.602 -2.767 146 HB3 LEU 642 HB3 LEU 642 6.337 -13.481 -1.344 147 HG LEU 642 HG LEU 642 4.213 -14.547 -0.162 148 HD11 LEU 642 HD11 LEU 642 3.984 -15.530 -3.005 149 HD12 LEU 642 HD12 LEU 642 2.803 -14.538 -2.149 150 HD13 LEU 642 HD13 LEU 642 3.124 -16.188 -1.613 151 HD21 LEU 642 HD21 LEU 642 5.235 -16.749 -0.493 152 HD22 LEU 642 HD22 LEU 642 6.444 -15.506 -0.176 153 HD23 LEU 642 HD23 LEU 642 6.198 -16.098 -1.819 154 H LEU 643 H LEU 643 4.168 -10.302 -2.970 155 HA LEU 643 HA LEU 643 6.855 -9.150 -2.784 156 HB2 LEU 643 HB2 LEU 643 5.710 -9.825 -5.008 157 HB3 LEU 643 HB3 LEU 643 4.770 -8.362 -4.802 158 HG LEU 643 HG LEU 643 7.138 -7.228 -4.586 159 HD11 LEU 643 HD11 LEU 643 8.426 -9.296 -4.604 160 HD12 LEU 643 HD12 LEU 643 8.814 -8.301 -6.007 161 HD13 LEU 643 HD13 LEU 643 7.765 -9.707 -6.187 162 HD21 LEU 643 HD21 LEU 643 7.118 -6.832 -7.004 163 HD22 LEU 643 HD22 LEU 643 5.501 -6.723 -6.310 164 HD23 LEU 643 HD23 LEU 643 5.980 -8.163 -7.209 165 H GLU 644 H GLU 644 6.540 -8.145 -0.788 166 HA GLU 644 HA GLU 644 4.519 -6.149 -0.335 167 HB2 GLU 644 HB2 GLU 644 6.820 -7.350 1.131 168 HB3 GLU 644 HB3 GLU 644 6.251 -5.789 1.690 169 HG2 GLU 644 HG2 GLU 644 3.981 -6.760 1.929 170 HG3 GLU 644 HG3 GLU 644 4.645 -8.326 1.468 171 H VAL 645 H VAL 645 4.890 -4.607 -2.122 172 HA VAL 645 HA VAL 645 7.589 -3.650 -2.592 173 HB VAL 645 HB VAL 645 4.866 -3.058 -3.831 174 HG11 VAL 645 HG11 VAL 645 5.871 -1.684 -5.502 175 HG12 VAL 645 HG12 VAL 645 7.507 -2.062 -4.967 176 HG13 VAL 645 HG13 VAL 645 6.470 -1.044 -3.970 177 HG21 VAL 645 HG21 VAL 645 5.840 -5.236 -4.296 178 HG22 VAL 645 HG22 VAL 645 7.343 -4.491 -4.839 179 HG23 VAL 645 HG23 VAL 645 5.854 -4.236 -5.749 180 H PHE 646 H PHE 646 4.794 -1.310 -2.339 181 HA PHE 646 HA PHE 646 6.559 0.634 -1.107 182 HB2 PHE 646 HB2 PHE 646 3.958 0.768 -2.501 183 HB3 PHE 646 HB3 PHE 646 4.181 1.916 -1.181 184 HD1 PHE 646 HD1 PHE 646 5.360 0.879 -4.494 185 HD2 PHE 646 HD2 PHE 646 5.788 3.692 -1.334 186 HE1 PHE 646 HE1 PHE 646 6.662 2.342 -5.982 187 HE2 PHE 646 HE2 PHE 646 7.090 5.163 -2.815 188 HZ PHE 646 HZ PHE 646 7.529 4.488 -5.142 189 H TRP 647 H TRP 647 3.327 -0.447 -0.540 190 HA TRP 647 HA TRP 647 3.093 0.375 2.116 191 HB2 TRP 647 HB2 TRP 647 1.177 0.097 0.473 192 HB3 TRP 647 HB3 TRP 647 1.422 -1.624 0.533 193 HD1 TRP 647 HD1 TRP 647 -0.606 0.966 2.057 194 HE1 TRP 647 HE1 TRP 647 -1.818 0.177 4.168 195 HE3 TRP 647 HE3 TRP 647 1.933 -3.403 2.923 196 HZ2 TRP 647 HZ2 TRP 647 -1.737 -1.965 5.960 197 HZ3 TRP 647 HZ3 TRP 647 1.287 -4.754 4.865 198 HH2 TRP 647 HH2 TRP 647 -0.510 -4.052 6.353 199 H GLY 648 H GLY 648 4.026 -2.668 0.608 200 HA2 GLY 648 HA2 GLY 648 3.918 -4.264 2.938 201 HA3 GLY 648 HA3 GLY 648 4.688 -4.665 1.433 202 H GLN 649 H GLN 649 6.721 -2.554 1.441 203 HA GLN 649 HA GLN 649 8.767 -3.854 2.766 204 HB2 GLN 649 HB2 GLN 649 8.447 -1.168 1.587 205 HB3 GLN 649 HB3 GLN 649 9.831 -1.399 2.649 206 HG2 GLN 649 HG2 GLN 649 10.487 -3.356 1.274 207 HG3 GLN 649 HG3 GLN 649 9.167 -2.970 0.170 208 HE21 GLN 649 HE21 GLN 649 9.313 -1.143 -1.130 209 HE22 GLN 649 HE22 GLN 649 10.809 -0.321 -1.397 210 H ASP 650 H ASP 650 8.213 -4.416 4.876 211 HA ASP 650 HA ASP 650 7.954 -4.283 7.136 212 HB2 ASP 650 HB2 ASP 650 10.362 -2.548 6.615 213 HB3 ASP 650 HB3 ASP 650 9.884 -3.048 8.234 214 H HIS 651 H HIS 651 9.233 -1.280 7.957 215 HA HIS 651 HA HIS 651 7.076 -0.318 9.396 216 HB2 HIS 651 HB2 HIS 651 9.406 1.171 8.182 217 HB3 HIS 651 HB3 HIS 651 8.260 1.917 9.291 218 HD1 HIS 651 HD1 HIS 651 8.625 1.536 11.752 219 HD2 HIS 651 HD2 HIS 651 11.002 -0.911 9.379 220 HE1 HIS 651 HE1 HIS 651 10.232 0.420 13.333 221 HE2 HIS 651 HE2 HIS 651 11.661 -1.057 11.876 222 H LYS 652 H LYS 652 7.969 0.319 6.115 223 HA LYS 652 HA LYS 652 6.436 2.414 5.319 224 HB2 LYS 652 HB2 LYS 652 7.446 0.021 3.862 225 HB3 LYS 652 HB3 LYS 652 6.414 1.182 3.037 226 HG2 LYS 652 HG2 LYS 652 8.015 2.975 3.726 227 HG3 LYS 652 HG3 LYS 652 9.081 1.706 4.330 228 HD2 LYS 652 HD2 LYS 652 9.363 0.799 2.149 229 HD3 LYS 652 HD3 LYS 652 8.076 1.811 1.492 230 HE2 LYS 652 HE2 LYS 652 9.432 3.804 1.962 231 HE3 LYS 652 HE3 LYS 652 10.718 2.773 2.587 232 HZ1 LYS 652 HZ1 LYS 652 10.904 1.753 0.398 233 HZ2 LYS 652 HZ2 LYS 652 11.153 3.423 0.309 234 HZ3 LYS 652 HZ3 LYS 652 9.682 2.760 -0.197 235 H VAL 653 H VAL 653 5.213 -0.771 6.026 236 HA VAL 653 HA VAL 653 3.078 -1.142 4.370 237 HB VAL 653 HB VAL 653 1.950 -2.368 6.281 238 HG11 VAL 653 HG11 VAL 653 3.902 -3.991 6.618 239 HG12 VAL 653 HG12 VAL 653 4.809 -2.911 5.558 240 HG13 VAL 653 HG13 VAL 653 3.344 -3.697 4.974 241 HG21 VAL 653 HG21 VAL 653 3.531 -2.732 8.300 242 HG22 VAL 653 HG22 VAL 653 2.519 -1.290 8.271 243 HG23 VAL 653 HG23 VAL 653 4.225 -1.177 7.840 244 H ASP 654 H ASP 654 2.462 0.255 7.609 245 HA ASP 654 HA ASP 654 0.120 1.588 6.625 246 HB2 ASP 654 HB2 ASP 654 -0.053 2.535 8.939 247 HB3 ASP 654 HB3 ASP 654 -0.133 0.785 8.806 248 H PHE 655 H PHE 655 3.357 2.237 6.903 249 HA PHE 655 HA PHE 655 3.488 4.966 7.645 250 HB2 PHE 655 HB2 PHE 655 5.345 2.835 7.151 251 HB3 PHE 655 HB3 PHE 655 5.873 4.318 6.359 252 HD1 PHE 655 HD1 PHE 655 5.179 2.692 9.560 253 HD2 PHE 655 HD2 PHE 655 6.479 6.267 7.650 254 HE1 PHE 655 HE1 PHE 655 6.026 3.529 11.712 255 HE2 PHE 655 HE2 PHE 655 7.330 7.110 9.800 256 HZ PHE 655 HZ PHE 655 7.103 5.741 11.834 257 H ILE 656 H ILE 656 3.402 3.274 4.542 258 HA ILE 656 HA ILE 656 4.437 5.086 2.836 259 HB ILE 656 HB ILE 656 2.031 4.495 1.488 260 HG12 ILE 656 HG12 ILE 656 1.589 2.148 1.789 261 HG13 ILE 656 HG13 ILE 656 2.773 2.027 3.093 262 HG21 ILE 656 HG21 ILE 656 4.417 4.258 0.704 263 HG22 ILE 656 HG22 ILE 656 3.373 2.910 0.262 264 HG23 ILE 656 HG23 ILE 656 4.511 2.739 1.591 265 HD11 ILE 656 HD11 ILE 656 0.483 2.103 3.893 266 HD12 ILE 656 HD12 ILE 656 0.282 3.671 3.110 267 HD13 ILE 656 HD13 ILE 656 1.414 3.496 4.451 268 H LEU 657 H LEU 657 0.909 5.241 3.687 269 HA LEU 657 HA LEU 657 0.461 7.613 2.322 270 HB2 LEU 657 HB2 LEU 657 -1.411 6.352 2.852 271 HB3 LEU 657 HB3 LEU 657 -0.982 6.257 4.547 272 HG LEU 657 HG LEU 657 -1.572 8.995 3.600 273 HD11 LEU 657 HD11 LEU 657 -3.685 6.862 3.641 274 HD12 LEU 657 HD12 LEU 657 -3.301 8.000 2.353 275 HD13 LEU 657 HD13 LEU 657 -4.044 8.574 3.843 276 HD21 LEU 657 HD21 LEU 657 -2.482 7.382 5.978 277 HD22 LEU 657 HD22 LEU 657 -2.762 9.105 5.730 278 HD23 LEU 657 HD23 LEU 657 -1.118 8.500 5.939 279 H GLN 658 H GLN 658 1.441 7.241 5.704 280 HA GLN 658 HA GLN 658 2.046 8.724 7.316 281 HB2 GLN 658 HB2 GLN 658 3.922 8.706 5.474 282 HB3 GLN 658 HB3 GLN 658 3.423 10.369 5.217 283 HG2 GLN 658 HG2 GLN 658 4.162 9.367 7.946 284 HG3 GLN 658 HG3 GLN 658 5.385 9.910 6.800 285 HE21 GLN 658 HE21 GLN 658 5.481 12.086 6.235 286 HE22 GLN 658 HE22 GLN 658 4.698 13.312 7.166 287 H ARG 659 H ARG 659 2.095 11.428 4.998 288 HA ARG 659 HA ARG 659 -0.477 12.449 5.768 289 HB2 ARG 659 HB2 ARG 659 1.956 13.380 7.176 290 HB3 ARG 659 HB3 ARG 659 0.841 14.631 6.648 291 HG2 ARG 659 HG2 ARG 659 -0.971 13.513 7.867 292 HG3 ARG 659 HG3 ARG 659 0.174 12.289 8.421 293 HD2 ARG 659 HD2 ARG 659 1.470 14.006 9.566 294 HD3 ARG 659 HD3 ARG 659 0.363 15.247 8.984 295 HE ARG 659 HE ARG 659 -1.043 13.249 10.418 296 HH11 ARG 659 HH11 ARG 659 1.069 16.005 10.953 297 HH12 ARG 659 HH12 ARG 659 0.443 16.322 12.536 298 HH21 ARG 659 HH21 ARG 659 -1.847 13.685 12.492 299 HH22 ARG 659 HH22 ARG 659 -1.206 15.009 13.406 300 H GLU 660 H GLU 660 2.373 12.650 3.795 301 HA GLU 660 HA GLU 660 1.113 14.876 2.337 302 HB2 GLU 660 HB2 GLU 660 3.967 14.563 3.128 303 HB3 GLU 660 HB3 GLU 660 3.576 15.432 1.652 304 HG2 GLU 660 HG2 GLU 660 2.155 16.953 2.927 305 HG3 GLU 660 HG3 GLU 660 2.547 16.075 4.406 306 HA PRO 661 HA PRO 661 3.488 12.344 -1.140 307 HB2 PRO 661 HB2 PRO 661 3.675 9.659 0.088 308 HB3 PRO 661 HB3 PRO 661 4.855 10.526 -0.899 309 HG2 PRO 661 HG2 PRO 661 5.263 10.240 1.701 310 HG3 PRO 661 HG3 PRO 661 5.655 11.767 0.885 311 HD2 PRO 661 HD2 PRO 661 3.270 11.093 2.568 312 HD3 PRO 661 HD3 PRO 661 4.277 12.553 2.576 313 H TYR 662 H TYR 662 2.128 11.803 -2.709 314 HA TYR 662 HA TYR 662 -0.541 10.950 -2.163 315 HB2 TYR 662 HB2 TYR 662 0.936 11.480 -4.736 316 HB3 TYR 662 HB3 TYR 662 -0.758 11.006 -4.684 317 HD1 TYR 662 HD1 TYR 662 -2.456 12.543 -3.860 318 HD2 TYR 662 HD2 TYR 662 1.639 13.686 -4.001 319 HE1 TYR 662 HE1 TYR 662 -3.108 14.894 -3.552 320 HE2 TYR 662 HE2 TYR 662 0.999 16.040 -3.692 321 HH TYR 662 HH TYR 662 -0.965 17.476 -4.046 322 H CYS 663 H CYS 663 2.142 9.378 -3.944 323 HA CYS 663 HA CYS 663 0.809 7.034 -4.693 324 HB2 CYS 663 HB2 CYS 663 3.744 7.404 -4.057 325 HB3 CYS 663 HB3 CYS 663 3.059 6.040 -4.933 326 HG CYS 663 HG CYS 663 1.990 7.915 -6.932 327 H ARG 664 H ARG 664 2.503 7.825 -1.719 328 HA ARG 664 HA ARG 664 2.304 5.223 -0.608 329 HB2 ARG 664 HB2 ARG 664 2.943 7.782 0.848 330 HB3 ARG 664 HB3 ARG 664 3.339 6.146 1.361 331 HG2 ARG 664 HG2 ARG 664 4.829 6.006 -0.687 332 HG3 ARG 664 HG3 ARG 664 4.574 7.738 -0.893 333 HD2 ARG 664 HD2 ARG 664 6.572 7.585 0.314 334 HD3 ARG 664 HD3 ARG 664 5.353 7.962 1.529 335 HE ARG 664 HE ARG 664 5.845 5.145 1.206 336 HH11 ARG 664 HH11 ARG 664 6.881 8.039 2.903 337 HH12 ARG 664 HH12 ARG 664 7.582 7.155 4.218 338 HH21 ARG 664 HH21 ARG 664 6.764 4.010 2.938 339 HH22 ARG 664 HH22 ARG 664 7.516 4.876 4.236 340 H ASP 665 H ASP 665 0.673 8.278 -0.460 341 HA ASP 665 HA ASP 665 -1.164 8.011 1.562 342 HB2 ASP 665 HB2 ASP 665 -0.704 9.962 -0.107 343 HB3 ASP 665 HB3 ASP 665 -2.007 9.227 -1.035 344 H ILE 666 H ILE 666 -1.199 6.361 -1.540 345 HA ILE 666 HA ILE 666 -4.046 5.811 -1.387 346 HB ILE 666 HB ILE 666 -3.673 4.447 -3.495 347 HG12 ILE 666 HG12 ILE 666 -1.635 5.574 -4.813 348 HG13 ILE 666 HG13 ILE 666 -0.946 5.610 -3.193 349 HG21 ILE 666 HG21 ILE 666 -3.744 6.423 -4.936 350 HG22 ILE 666 HG22 ILE 666 -3.187 7.415 -3.589 351 HG23 ILE 666 HG23 ILE 666 -4.751 6.605 -3.500 352 HD11 ILE 666 HD11 ILE 666 -0.276 3.621 -4.434 353 HD12 ILE 666 HD12 ILE 666 -1.969 3.155 -4.600 354 HD13 ILE 666 HD13 ILE 666 -1.221 3.208 -3.004 355 H ASN 667 H ASN 667 -0.921 4.458 -1.113 356 HA ASN 667 HA ASN 667 -1.335 1.786 -0.890 357 HB2 ASN 667 HB2 ASN 667 0.594 3.777 -0.077 358 HB3 ASN 667 HB3 ASN 667 0.653 2.330 0.893 359 HD21 ASN 667 HD21 ASN 667 1.938 3.785 -1.681 360 HD22 ASN 667 HD22 ASN 667 2.429 2.419 -2.618 361 H GLN 668 H GLN 668 -1.132 3.836 2.171 362 HA GLN 668 HA GLN 668 -2.291 1.635 3.631 363 HB2 GLN 668 HB2 GLN 668 -1.588 2.631 5.500 364 HB3 GLN 668 HB3 GLN 668 -0.876 3.863 4.506 365 HG2 GLN 668 HG2 GLN 668 -2.745 5.314 4.849 366 HG3 GLN 668 HG3 GLN 668 -3.674 4.023 5.592 367 HE21 GLN 668 HE21 GLN 668 -3.278 3.444 7.698 368 HE22 GLN 668 HE22 GLN 668 -2.291 4.383 8.761 369 H LEU 669 H LEU 669 -3.387 4.637 2.337 370 HA LEU 669 HA LEU 669 -5.955 4.847 3.273 371 HB2 LEU 669 HB2 LEU 669 -4.434 6.187 1.555 372 HB3 LEU 669 HB3 LEU 669 -5.345 5.260 0.381 373 HG LEU 669 HG LEU 669 -6.846 6.833 2.451 374 HD11 LEU 669 HD11 LEU 669 -5.519 7.918 -0.017 375 HD12 LEU 669 HD12 LEU 669 -5.412 8.516 1.638 376 HD13 LEU 669 HD13 LEU 669 -6.914 8.691 0.733 377 HD21 LEU 669 HD21 LEU 669 -8.520 6.959 0.674 378 HD22 LEU 669 HD22 LEU 669 -8.081 5.285 1.015 379 HD23 LEU 669 HD23 LEU 669 -7.439 6.091 -0.416 380 H SER 670 H SER 670 -4.897 3.186 0.276 381 HA SER 670 HA SER 670 -7.406 1.869 -0.090 382 HB2 SER 670 HB2 SER 670 -5.826 2.420 -1.954 383 HB3 SER 670 HB3 SER 670 -4.771 1.132 -1.375 384 HG SER 670 HG SER 670 -7.392 0.911 -2.419 385 H GLU 671 H GLU 671 -4.137 0.458 0.809 386 HA GLU 671 HA GLU 671 -5.424 -2.054 1.394 387 HB2 GLU 671 HB2 GLU 671 -2.935 -1.565 0.660 388 HB3 GLU 671 HB3 GLU 671 -2.674 -1.506 2.397 389 HG2 GLU 671 HG2 GLU 671 -3.987 -3.818 0.993 390 HG3 GLU 671 HG3 GLU 671 -2.260 -3.730 1.325 391 H ALA 672 H ALA 672 -3.507 0.098 3.575 392 HA ALA 672 HA ALA 672 -4.234 -1.179 5.935 393 HB1 ALA 672 HB1 ALA 672 -2.487 0.506 5.789 394 HB2 ALA 672 HB2 ALA 672 -3.576 0.781 7.149 395 HB3 ALA 672 HB3 ALA 672 -3.720 1.762 5.692 396 H LEU 673 H LEU 673 -6.208 1.446 4.386 397 HA LEU 673 HA LEU 673 -7.973 1.604 6.648 398 HB2 LEU 673 HB2 LEU 673 -7.511 3.360 4.792 399 HB3 LEU 673 HB3 LEU 673 -8.750 2.501 3.900 400 HG LEU 673 HG LEU 673 -10.150 2.891 6.113 401 HD11 LEU 673 HD11 LEU 673 -8.172 5.167 6.166 402 HD12 LEU 673 HD12 LEU 673 -8.333 3.902 7.383 403 HD13 LEU 673 HD13 LEU 673 -9.643 5.056 7.132 404 HD21 LEU 673 HD21 LEU 673 -10.766 3.689 3.901 405 HD22 LEU 673 HD22 LEU 673 -9.628 5.029 4.051 406 HD23 LEU 673 HD23 LEU 673 -11.036 4.943 5.111 407 H LEU 674 H LEU 674 -8.146 -0.079 3.519 408 HA LEU 674 HA LEU 674 -10.808 -1.016 3.809 409 HB2 LEU 674 HB2 LEU 674 -9.247 -0.883 1.715 410 HB3 LEU 674 HB3 LEU 674 -8.752 -2.490 2.206 411 HG LEU 674 HG LEU 674 -11.674 -1.978 1.910 412 HD11 LEU 674 HD11 LEU 674 -11.548 -2.438 -0.496 413 HD12 LEU 674 HD12 LEU 674 -9.789 -2.343 -0.414 414 HD13 LEU 674 HD13 LEU 674 -10.766 -0.915 -0.072 415 HD21 LEU 674 HD21 LEU 674 -10.858 -4.150 2.684 416 HD22 LEU 674 HD22 LEU 674 -9.883 -4.309 1.224 417 HD23 LEU 674 HD23 LEU 674 -11.642 -4.288 1.111 418 H SER 675 H SER 675 -7.674 -2.456 4.618 419 HA SER 675 HA SER 675 -8.700 -4.999 5.400 420 HB2 SER 675 HB2 SER 675 -6.416 -5.328 6.374 421 HB3 SER 675 HB3 SER 675 -6.410 -4.838 4.680 422 HG SER 675 HG SER 675 -5.111 -3.693 6.594 423 H LEU 676 H LEU 676 -7.818 -2.071 7.201 424 HA LEU 676 HA LEU 676 -8.190 -3.203 9.793 425 HB2 LEU 676 HB2 LEU 676 -6.844 -1.102 9.026 426 HB3 LEU 676 HB3 LEU 676 -8.367 -0.264 9.240 427 HG LEU 676 HG LEU 676 -7.377 -1.913 11.517 428 HD11 LEU 676 HD11 LEU 676 -5.362 -0.759 10.807 429 HD12 LEU 676 HD12 LEU 676 -5.977 -0.065 12.307 430 HD13 LEU 676 HD13 LEU 676 -6.231 0.775 10.777 431 HD21 LEU 676 HD21 LEU 676 -9.528 -0.762 11.654 432 HD22 LEU 676 HD22 LEU 676 -8.734 0.776 11.315 433 HD23 LEU 676 HD23 LEU 676 -8.376 -0.091 12.809 434 H ASN 677 H ASN 677 -10.260 -1.215 7.684 435 HA ASN 677 HA ASN 677 -12.371 -0.941 9.588 436 HB2 ASN 677 HB2 ASN 677 -12.055 -0.311 6.682 437 HB3 ASN 677 HB3 ASN 677 -13.668 -0.310 7.388 438 HD21 ASN 677 HD21 ASN 677 -10.539 1.207 7.378 439 HD22 ASN 677 HD22 ASN 677 -11.006 2.634 8.232 440 H PHE 678 H PHE 678 -12.059 -2.940 6.634 441 HA PHE 678 HA PHE 678 -14.513 -4.337 7.074 442 HB2 PHE 678 HB2 PHE 678 -12.203 -4.764 5.189 443 HB3 PHE 678 HB3 PHE 678 -13.555 -5.888 5.265 444 HD1 PHE 678 HD1 PHE 678 -12.490 -2.521 4.313 445 HD2 PHE 678 HD2 PHE 678 -15.737 -5.268 4.447 446 HE1 PHE 678 HE1 PHE 678 -13.758 -1.090 2.765 447 HE2 PHE 678 HE2 PHE 678 -17.011 -3.843 2.898 448 HZ PHE 678 HZ PHE 678 -16.022 -1.750 2.056 Start of MODEL 5 1 H1 GLY 627 H1 GLY 627 -3.261 6.869 -19.256 2 H2 GLY 627 H2 GLY 627 -1.915 6.413 -20.172 3 H3 GLY 627 H3 GLY 627 -1.701 7.114 -18.648 4 HA2 GLY 627 HA2 GLY 627 -2.746 5.210 -17.588 5 HA3 GLY 627 HA3 GLY 627 -2.969 4.481 -19.171 6 H GLY 628 H GLY 628 -1.062 4.510 -16.483 7 HA2 GLY 628 HA2 GLY 628 1.174 3.265 -17.951 8 HA3 GLY 628 HA3 GLY 628 1.487 4.436 -16.679 9 H ILE 629 H ILE 629 1.835 3.669 -14.712 10 HA ILE 629 HA ILE 629 1.007 0.907 -14.121 11 HB ILE 629 HB ILE 629 2.822 1.030 -12.306 12 HG12 ILE 629 HG12 ILE 629 4.779 2.546 -13.323 13 HG13 ILE 629 HG13 ILE 629 3.412 3.528 -13.837 14 HG21 ILE 629 HG21 ILE 629 2.988 -0.372 -14.264 15 HG22 ILE 629 HG22 ILE 629 4.559 0.339 -13.893 16 HG23 ILE 629 HG23 ILE 629 3.589 0.985 -15.217 17 HD11 ILE 629 HD11 ILE 629 4.316 4.297 -11.718 18 HD12 ILE 629 HD12 ILE 629 4.029 2.709 -11.007 19 HD13 ILE 629 HD13 ILE 629 2.667 3.704 -11.522 20 H ARG 630 H ARG 630 0.092 0.385 -12.151 21 HA ARG 630 HA ARG 630 -1.045 2.659 -10.666 22 HB2 ARG 630 HB2 ARG 630 -2.044 -0.157 -11.091 23 HB3 ARG 630 HB3 ARG 630 -2.731 0.913 -9.881 24 HG2 ARG 630 HG2 ARG 630 -2.558 1.839 -12.714 25 HG3 ARG 630 HG3 ARG 630 -3.821 0.700 -12.250 26 HD2 ARG 630 HD2 ARG 630 -4.755 2.877 -12.073 27 HD3 ARG 630 HD3 ARG 630 -4.467 2.313 -10.429 28 HE ARG 630 HE ARG 630 -2.249 3.806 -11.358 29 HH11 ARG 630 HH11 ARG 630 -5.541 4.268 -10.225 30 HH12 ARG 630 HH12 ARG 630 -5.238 5.872 -9.646 31 HH21 ARG 630 HH21 ARG 630 -1.875 5.907 -10.591 32 HH22 ARG 630 HH22 ARG 630 -3.164 6.798 -9.853 33 H LYS 631 H LYS 631 -1.025 2.692 -8.430 34 HA LYS 631 HA LYS 631 1.033 1.017 -7.188 35 HB2 LYS 631 HB2 LYS 631 -0.255 3.603 -6.295 36 HB3 LYS 631 HB3 LYS 631 0.880 2.692 -5.311 37 HG2 LYS 631 HG2 LYS 631 2.290 4.224 -6.251 38 HG3 LYS 631 HG3 LYS 631 2.413 2.923 -7.436 39 HD2 LYS 631 HD2 LYS 631 0.742 4.043 -8.835 40 HD3 LYS 631 HD3 LYS 631 0.616 5.342 -7.647 41 HE2 LYS 631 HE2 LYS 631 2.969 5.896 -7.999 42 HE3 LYS 631 HE3 LYS 631 3.106 4.588 -9.174 43 HZ1 LYS 631 HZ1 LYS 631 2.803 6.726 -10.255 44 HZ2 LYS 631 HZ2 LYS 631 1.343 6.964 -9.436 45 HZ3 LYS 631 HZ3 LYS 631 1.484 5.713 -10.565 46 H THR 632 H THR 632 -2.337 2.003 -6.781 47 HA THR 632 HA THR 632 -3.005 0.810 -4.378 48 HB THR 632 HB THR 632 -4.568 2.281 -5.471 49 HG1 THR 632 HG1 THR 632 -6.018 1.205 -4.401 50 HG21 THR 632 HG21 THR 632 -5.883 1.629 -7.441 51 HG22 THR 632 HG22 THR 632 -4.937 0.148 -7.585 52 HG23 THR 632 HG23 THR 632 -4.162 1.715 -7.819 53 H ARG 633 H ARG 633 -2.798 -0.681 -7.536 54 HA ARG 633 HA ARG 633 -3.916 -3.184 -6.934 55 HB2 ARG 633 HB2 ARG 633 -3.252 -1.971 -9.217 56 HB3 ARG 633 HB3 ARG 633 -1.817 -2.969 -9.029 57 HG2 ARG 633 HG2 ARG 633 -3.158 -4.972 -8.991 58 HG3 ARG 633 HG3 ARG 633 -4.642 -4.017 -9.028 59 HD2 ARG 633 HD2 ARG 633 -3.993 -3.129 -11.227 60 HD3 ARG 633 HD3 ARG 633 -2.540 -4.126 -11.189 61 HE ARG 633 HE ARG 633 -4.381 -5.995 -10.909 62 HH11 ARG 633 HH11 ARG 633 -4.401 -3.258 -13.110 63 HH12 ARG 633 HH12 ARG 633 -5.351 -4.078 -14.304 64 HH21 ARG 633 HH21 ARG 633 -5.625 -7.048 -12.485 65 HH22 ARG 633 HH22 ARG 633 -6.043 -6.221 -13.949 66 H GLU 634 H GLU 634 -0.566 -1.942 -6.598 67 HA GLU 634 HA GLU 634 0.537 -4.576 -6.258 68 HB2 GLU 634 HB2 GLU 634 1.683 -1.788 -6.047 69 HB3 GLU 634 HB3 GLU 634 2.602 -3.221 -5.611 70 HG2 GLU 634 HG2 GLU 634 2.365 -4.071 -7.887 71 HG3 GLU 634 HG3 GLU 634 1.435 -2.639 -8.325 72 H THR 635 H THR 635 -0.264 -1.728 -4.408 73 HA THR 635 HA THR 635 0.682 -2.317 -1.909 74 HB THR 635 HB THR 635 -1.049 -0.743 -1.084 75 HG1 THR 635 HG1 THR 635 -1.796 -0.410 -3.784 76 HG21 THR 635 HG21 THR 635 1.100 0.040 -1.976 77 HG22 THR 635 HG22 THR 635 -0.198 1.154 -2.405 78 HG23 THR 635 HG23 THR 635 0.429 0.030 -3.603 79 H GLU 636 H GLU 636 -2.671 -3.087 -3.006 80 HA GLU 636 HA GLU 636 -3.217 -4.418 -0.532 81 HB2 GLU 636 HB2 GLU 636 -5.087 -3.481 -1.541 82 HB3 GLU 636 HB3 GLU 636 -4.738 -4.192 -3.115 83 HG2 GLU 636 HG2 GLU 636 -5.338 -6.406 -2.217 84 HG3 GLU 636 HG3 GLU 636 -5.690 -5.664 -0.657 85 H ARG 637 H ARG 637 -2.272 -5.525 -3.789 86 HA ARG 637 HA ARG 637 -2.312 -8.321 -3.213 87 HB2 ARG 637 HB2 ARG 637 -1.996 -6.967 -5.483 88 HB3 ARG 637 HB3 ARG 637 -0.293 -7.182 -5.108 89 HG2 ARG 637 HG2 ARG 637 -0.613 -9.606 -5.042 90 HG3 ARG 637 HG3 ARG 637 -2.322 -9.387 -5.422 91 HD2 ARG 637 HD2 ARG 637 -1.716 -8.342 -7.548 92 HD3 ARG 637 HD3 ARG 637 -0.007 -8.547 -7.165 93 HE ARG 637 HE ARG 637 -1.235 -11.052 -7.021 94 HH11 ARG 637 HH11 ARG 637 -0.454 -8.668 -9.479 95 HH12 ARG 637 HH12 ARG 637 -0.325 -9.845 -10.742 96 HH21 ARG 637 HH21 ARG 637 -1.061 -12.575 -8.690 97 HH22 ARG 637 HH22 ARG 637 -0.669 -12.055 -10.295 98 H LEU 638 H LEU 638 0.065 -5.823 -2.937 99 HA LEU 638 HA LEU 638 2.424 -7.048 -2.165 100 HB2 LEU 638 HB2 LEU 638 2.621 -4.849 -2.712 101 HB3 LEU 638 HB3 LEU 638 1.041 -4.459 -2.125 102 HG LEU 638 HG LEU 638 3.547 -4.513 -0.426 103 HD11 LEU 638 HD11 LEU 638 4.027 -2.667 -1.483 104 HD12 LEU 638 HD12 LEU 638 2.623 -1.947 -0.723 105 HD13 LEU 638 HD13 LEU 638 2.484 -2.651 -2.326 106 HD21 LEU 638 HD21 LEU 638 1.779 -4.638 1.141 107 HD22 LEU 638 HD22 LEU 638 0.741 -3.577 0.191 108 HD23 LEU 638 HD23 LEU 638 2.162 -2.919 1.023 109 H ARG 639 H ARG 639 0.171 -5.416 -0.149 110 HA ARG 639 HA ARG 639 0.964 -6.309 2.371 111 HB2 ARG 639 HB2 ARG 639 -0.287 -4.308 2.060 112 HB3 ARG 639 HB3 ARG 639 -1.607 -5.176 1.292 113 HG2 ARG 639 HG2 ARG 639 -1.679 -6.388 3.679 114 HG3 ARG 639 HG3 ARG 639 -0.989 -4.842 4.173 115 HD2 ARG 639 HD2 ARG 639 -3.285 -4.508 4.384 116 HD3 ARG 639 HD3 ARG 639 -2.907 -3.792 2.818 117 HE ARG 639 HE ARG 639 -3.834 -6.562 2.867 118 HH11 ARG 639 HH11 ARG 639 -4.569 -3.203 2.156 119 HH12 ARG 639 HH12 ARG 639 -5.961 -3.591 1.201 120 HH21 ARG 639 HH21 ARG 639 -5.660 -7.046 1.618 121 HH22 ARG 639 HH22 ARG 639 -6.578 -5.765 0.898 122 H ARG 640 H ARG 640 -1.538 -7.682 0.224 123 HA ARG 640 HA ARG 640 -2.464 -9.611 2.118 124 HB2 ARG 640 HB2 ARG 640 -2.878 -9.232 -0.829 125 HB3 ARG 640 HB3 ARG 640 -3.472 -10.673 -0.016 126 HG2 ARG 640 HG2 ARG 640 -4.780 -9.252 1.506 127 HG3 ARG 640 HG3 ARG 640 -4.217 -7.827 0.630 128 HD2 ARG 640 HD2 ARG 640 -5.264 -8.652 -1.409 129 HD3 ARG 640 HD3 ARG 640 -5.794 -10.105 -0.563 130 HE ARG 640 HE ARG 640 -6.741 -7.775 0.746 131 HH11 ARG 640 HH11 ARG 640 -7.370 -9.765 -2.078 132 HH12 ARG 640 HH12 ARG 640 -9.043 -9.325 -2.159 133 HH21 ARG 640 HH21 ARG 640 -8.933 -7.212 0.622 134 HH22 ARG 640 HH22 ARG 640 -9.926 -7.880 -0.630 135 H GLN 641 H GLN 641 -0.182 -9.785 -0.599 136 HA GLN 641 HA GLN 641 0.317 -12.614 -0.119 137 HB2 GLN 641 HB2 GLN 641 1.228 -10.663 -2.223 138 HB3 GLN 641 HB3 GLN 641 1.971 -12.249 -2.067 139 HG2 GLN 641 HG2 GLN 641 -0.313 -13.243 -2.323 140 HG3 GLN 641 HG3 GLN 641 -0.900 -11.625 -2.706 141 HE21 GLN 641 HE21 GLN 641 1.028 -14.308 -3.777 142 HE22 GLN 641 HE22 GLN 641 1.189 -13.801 -5.420 143 H LEU 642 H LEU 642 2.802 -13.206 -0.380 144 HA LEU 642 HA LEU 642 4.100 -12.353 1.992 145 HB2 LEU 642 HB2 LEU 642 5.065 -14.003 -0.338 146 HB3 LEU 642 HB3 LEU 642 6.023 -13.719 1.101 147 HG LEU 642 HG LEU 642 3.870 -14.706 2.303 148 HD11 LEU 642 HD11 LEU 642 3.781 -15.974 -0.432 149 HD12 LEU 642 HD12 LEU 642 2.544 -14.934 0.274 150 HD13 LEU 642 HD13 LEU 642 2.878 -16.513 0.984 151 HD21 LEU 642 HD21 LEU 642 5.951 -16.372 0.893 152 HD22 LEU 642 HD22 LEU 642 4.948 -16.906 2.242 153 HD23 LEU 642 HD23 LEU 642 6.120 -15.609 2.474 154 H LEU 643 H LEU 643 4.309 -11.271 -1.311 155 HA LEU 643 HA LEU 643 6.703 -9.677 -0.745 156 HB2 LEU 643 HB2 LEU 643 5.230 -10.243 -3.322 157 HB3 LEU 643 HB3 LEU 643 6.582 -9.136 -3.204 158 HG LEU 643 HG LEU 643 7.797 -11.265 -2.194 159 HD11 LEU 643 HD11 LEU 643 5.670 -12.466 -3.964 160 HD12 LEU 643 HD12 LEU 643 5.838 -12.708 -2.225 161 HD13 LEU 643 HD13 LEU 643 7.077 -13.314 -3.323 162 HD21 LEU 643 HD21 LEU 643 8.609 -11.775 -4.453 163 HD22 LEU 643 HD22 LEU 643 8.523 -10.038 -4.159 164 HD23 LEU 643 HD23 LEU 643 7.284 -10.830 -5.133 165 H GLU 644 H GLU 644 6.316 -7.790 0.186 166 HA GLU 644 HA GLU 644 3.885 -6.303 -0.522 167 HB2 GLU 644 HB2 GLU 644 5.648 -5.758 1.873 168 HB3 GLU 644 HB3 GLU 644 3.981 -5.259 1.622 169 HG2 GLU 644 HG2 GLU 644 3.454 -6.975 2.940 170 HG3 GLU 644 HG3 GLU 644 3.791 -7.986 1.535 171 H VAL 645 H VAL 645 4.256 -4.819 -2.127 172 HA VAL 645 HA VAL 645 6.959 -3.971 -2.758 173 HB VAL 645 HB VAL 645 4.223 -3.594 -4.015 174 HG11 VAL 645 HG11 VAL 645 6.863 -2.608 -5.188 175 HG12 VAL 645 HG12 VAL 645 5.577 -1.571 -4.572 176 HG13 VAL 645 HG13 VAL 645 5.288 -2.589 -5.983 177 HG21 VAL 645 HG21 VAL 645 6.712 -5.112 -4.851 178 HG22 VAL 645 HG22 VAL 645 5.207 -5.020 -5.765 179 HG23 VAL 645 HG23 VAL 645 5.229 -5.795 -4.181 180 H PHE 646 H PHE 646 4.161 -1.566 -2.810 181 HA PHE 646 HA PHE 646 5.975 0.578 -2.039 182 HB2 PHE 646 HB2 PHE 646 3.126 0.526 -2.986 183 HB3 PHE 646 HB3 PHE 646 3.775 1.962 -2.186 184 HD1 PHE 646 HD1 PHE 646 5.500 3.295 -3.266 185 HD2 PHE 646 HD2 PHE 646 3.855 -0.126 -5.190 186 HE1 PHE 646 HE1 PHE 646 6.455 4.045 -5.406 187 HE2 PHE 646 HE2 PHE 646 4.809 0.616 -7.333 188 HZ PHE 646 HZ PHE 646 6.110 2.704 -7.443 189 H TRP 647 H TRP 647 2.787 -0.360 -1.124 190 HA TRP 647 HA TRP 647 2.577 0.843 1.331 191 HB2 TRP 647 HB2 TRP 647 0.660 0.078 -0.001 192 HB3 TRP 647 HB3 TRP 647 1.158 -1.577 0.150 193 HD1 TRP 647 HD1 TRP 647 -1.257 0.703 1.341 194 HE1 TRP 647 HE1 TRP 647 -2.389 -0.030 3.516 195 HE3 TRP 647 HE3 TRP 647 2.052 -2.929 2.865 196 HZ2 TRP 647 HZ2 TRP 647 -1.966 -1.873 5.594 197 HZ3 TRP 647 HZ3 TRP 647 1.575 -4.127 4.949 198 HH2 TRP 647 HH2 TRP 647 -0.387 -3.605 6.288 199 H GLY 648 H GLY 648 3.950 -2.199 0.322 200 HA2 GLY 648 HA2 GLY 648 4.407 -3.350 2.845 201 HA3 GLY 648 HA3 GLY 648 5.228 -3.744 1.356 202 H GLN 649 H GLN 649 7.245 -2.959 0.923 203 HA GLN 649 HA GLN 649 9.396 -2.847 1.895 204 HB2 GLN 649 HB2 GLN 649 8.217 -0.201 1.213 205 HB3 GLN 649 HB3 GLN 649 9.851 -0.257 1.861 206 HG2 GLN 649 HG2 GLN 649 10.511 -1.773 0.067 207 HG3 GLN 649 HG3 GLN 649 8.872 -1.718 -0.580 208 HE21 GLN 649 HE21 GLN 649 8.146 0.153 -1.593 209 HE22 GLN 649 HE22 GLN 649 9.231 1.384 -2.136 210 H ASP 650 H ASP 650 8.328 -3.658 4.121 211 HA ASP 650 HA ASP 650 8.397 -3.718 6.383 212 HB2 ASP 650 HB2 ASP 650 10.776 -1.925 5.889 213 HB3 ASP 650 HB3 ASP 650 10.367 -2.556 7.481 214 H HIS 651 H HIS 651 9.678 -0.632 7.148 215 HA HIS 651 HA HIS 651 7.600 0.250 8.762 216 HB2 HIS 651 HB2 HIS 651 9.724 1.844 7.314 217 HB3 HIS 651 HB3 HIS 651 8.643 2.544 8.514 218 HD1 HIS 651 HD1 HIS 651 9.257 2.236 10.935 219 HD2 HIS 651 HD2 HIS 651 11.550 -0.113 8.387 220 HE1 HIS 651 HE1 HIS 651 11.070 1.253 12.375 221 HE2 HIS 651 HE2 HIS 651 12.446 -0.165 10.813 222 H LYS 652 H LYS 652 8.206 0.800 5.432 223 HA LYS 652 HA LYS 652 6.532 2.750 4.595 224 HB2 LYS 652 HB2 LYS 652 7.707 0.347 3.357 225 HB3 LYS 652 HB3 LYS 652 6.423 1.151 2.467 226 HG2 LYS 652 HG2 LYS 652 8.427 2.070 1.658 227 HG3 LYS 652 HG3 LYS 652 7.757 3.291 2.736 228 HD2 LYS 652 HD2 LYS 652 9.294 2.636 4.493 229 HD3 LYS 652 HD3 LYS 652 9.905 1.309 3.507 230 HE2 LYS 652 HE2 LYS 652 10.066 4.194 2.662 231 HE3 LYS 652 HE3 LYS 652 11.335 3.395 3.587 232 HZ1 LYS 652 HZ1 LYS 652 10.362 2.562 0.906 233 HZ2 LYS 652 HZ2 LYS 652 11.577 1.789 1.793 234 HZ3 LYS 652 HZ3 LYS 652 11.818 3.363 1.224 235 H VAL 653 H VAL 653 5.516 -0.419 5.573 236 HA VAL 653 HA VAL 653 3.388 -1.079 4.015 237 HB VAL 653 HB VAL 653 2.418 -2.300 5.986 238 HG11 VAL 653 HG11 VAL 653 5.145 -2.648 4.902 239 HG12 VAL 653 HG12 VAL 653 3.750 -3.725 4.838 240 HG13 VAL 653 HG13 VAL 653 4.716 -3.623 6.306 241 HG21 VAL 653 HG21 VAL 653 3.007 -1.090 7.909 242 HG22 VAL 653 HG22 VAL 653 4.695 -0.954 7.420 243 HG23 VAL 653 HG23 VAL 653 4.056 -2.506 7.961 244 H ASP 654 H ASP 654 2.727 0.436 7.196 245 HA ASP 654 HA ASP 654 0.271 1.463 6.140 246 HB2 ASP 654 HB2 ASP 654 0.015 2.592 8.373 247 HB3 ASP 654 HB3 ASP 654 -0.020 0.837 8.328 248 H PHE 655 H PHE 655 3.418 2.414 6.256 249 HA PHE 655 HA PHE 655 3.408 5.147 6.870 250 HB2 PHE 655 HB2 PHE 655 5.348 3.178 6.318 251 HB3 PHE 655 HB3 PHE 655 5.646 4.554 5.256 252 HD1 PHE 655 HD1 PHE 655 5.513 3.401 8.727 253 HD2 PHE 655 HD2 PHE 655 6.287 6.698 6.149 254 HE1 PHE 655 HE1 PHE 655 6.581 4.602 10.589 255 HE2 PHE 655 HE2 PHE 655 7.356 7.905 8.007 256 HZ PHE 655 HZ PHE 655 7.505 6.856 10.231 257 H ILE 656 H ILE 656 3.163 3.449 3.707 258 HA ILE 656 HA ILE 656 3.772 5.463 2.018 259 HB ILE 656 HB ILE 656 1.452 4.873 0.728 260 HG12 ILE 656 HG12 ILE 656 0.301 3.221 1.727 261 HG13 ILE 656 HG13 ILE 656 1.507 2.196 0.973 262 HG21 ILE 656 HG21 ILE 656 3.830 4.590 -0.030 263 HG22 ILE 656 HG22 ILE 656 2.736 3.335 -0.601 264 HG23 ILE 656 HG23 ILE 656 3.839 3.003 0.732 265 HD11 ILE 656 HD11 ILE 656 2.713 2.072 3.057 266 HD12 ILE 656 HD12 ILE 656 1.041 1.542 3.237 267 HD13 ILE 656 HD13 ILE 656 1.530 3.134 3.815 268 H LEU 657 H LEU 657 0.406 5.309 3.378 269 HA LEU 657 HA LEU 657 -0.111 7.861 2.222 270 HB2 LEU 657 HB2 LEU 657 -2.064 6.795 2.260 271 HB3 LEU 657 HB3 LEU 657 -1.677 5.879 3.674 272 HG LEU 657 HG LEU 657 -3.710 7.239 3.959 273 HD11 LEU 657 HD11 LEU 657 -3.102 8.402 6.091 274 HD12 LEU 657 HD12 LEU 657 -1.433 7.924 5.778 275 HD13 LEU 657 HD13 LEU 657 -2.679 6.694 5.988 276 HD21 LEU 657 HD21 LEU 657 -1.893 9.611 3.610 277 HD22 LEU 657 HD22 LEU 657 -3.540 9.691 4.234 278 HD23 LEU 657 HD23 LEU 657 -3.248 9.142 2.584 279 H GLN 658 H GLN 658 0.780 6.890 5.501 280 HA GLN 658 HA GLN 658 0.353 9.308 6.827 281 HB2 GLN 658 HB2 GLN 658 2.372 7.125 7.268 282 HB3 GLN 658 HB3 GLN 658 2.278 8.525 8.324 283 HG2 GLN 658 HG2 GLN 658 -0.076 7.966 8.802 284 HG3 GLN 658 HG3 GLN 658 0.094 6.519 7.809 285 HE21 GLN 658 HE21 GLN 658 0.965 8.073 10.791 286 HE22 GLN 658 HE22 GLN 658 1.581 6.666 11.582 287 H ARG 659 H ARG 659 2.403 8.872 4.226 288 HA ARG 659 HA ARG 659 4.387 10.855 5.027 289 HB2 ARG 659 HB2 ARG 659 4.095 9.116 2.572 290 HB3 ARG 659 HB3 ARG 659 5.330 10.359 2.713 291 HG2 ARG 659 HG2 ARG 659 6.074 9.180 4.832 292 HG3 ARG 659 HG3 ARG 659 5.024 7.852 4.340 293 HD2 ARG 659 HD2 ARG 659 7.141 7.265 3.528 294 HD3 ARG 659 HD3 ARG 659 6.289 7.903 2.123 295 HE ARG 659 HE ARG 659 7.544 10.083 2.926 296 HH11 ARG 659 HH11 ARG 659 8.817 6.819 2.681 297 HH12 ARG 659 HH12 ARG 659 10.436 7.351 2.373 298 HH21 ARG 659 HH21 ARG 659 9.670 10.756 2.520 299 HH22 ARG 659 HH22 ARG 659 10.918 9.578 2.282 300 H GLU 660 H GLU 660 4.885 12.183 2.622 301 HA GLU 660 HA GLU 660 2.576 13.947 2.537 302 HB2 GLU 660 HB2 GLU 660 4.063 15.598 1.487 303 HB3 GLU 660 HB3 GLU 660 4.662 15.027 3.031 304 HG2 GLU 660 HG2 GLU 660 5.672 13.911 0.429 305 HG3 GLU 660 HG3 GLU 660 6.344 15.370 1.146 306 HA PRO 661 HA PRO 661 3.176 12.918 -2.232 307 HB2 PRO 661 HB2 PRO 661 3.559 10.000 -2.142 308 HB3 PRO 661 HB3 PRO 661 4.413 11.213 -3.103 309 HG2 PRO 661 HG2 PRO 661 5.639 9.998 -1.085 310 HG3 PRO 661 HG3 PRO 661 5.902 11.725 -1.407 311 HD2 PRO 661 HD2 PRO 661 4.110 10.452 0.637 312 HD3 PRO 661 HD3 PRO 661 5.267 11.785 0.839 313 H TYR 662 H TYR 662 1.469 12.353 -3.556 314 HA TYR 662 HA TYR 662 -0.989 11.687 -2.273 315 HB2 TYR 662 HB2 TYR 662 -0.497 13.244 -4.318 316 HB3 TYR 662 HB3 TYR 662 -0.692 11.766 -5.251 317 HD1 TYR 662 HD1 TYR 662 -2.868 10.685 -5.429 318 HD2 TYR 662 HD2 TYR 662 -2.386 14.267 -3.184 319 HE1 TYR 662 HE1 TYR 662 -5.308 10.987 -5.400 320 HE2 TYR 662 HE2 TYR 662 -4.825 14.579 -3.148 321 HH TYR 662 HH TYR 662 -6.790 13.888 -4.454 322 H CYS 663 H CYS 663 1.105 9.969 -4.568 323 HA CYS 663 HA CYS 663 -0.515 7.783 -5.175 324 HB2 CYS 663 HB2 CYS 663 2.500 7.887 -4.961 325 HB3 CYS 663 HB3 CYS 663 1.584 6.616 -5.764 326 HG CYS 663 HG CYS 663 0.853 7.998 -7.922 327 H ARG 664 H ARG 664 1.641 8.271 -2.433 328 HA ARG 664 HA ARG 664 1.436 5.621 -1.411 329 HB2 ARG 664 HB2 ARG 664 2.480 8.122 -0.053 330 HB3 ARG 664 HB3 ARG 664 2.719 6.468 0.513 331 HG2 ARG 664 HG2 ARG 664 3.950 6.036 -1.653 332 HG3 ARG 664 HG3 ARG 664 3.875 7.768 -1.959 333 HD2 ARG 664 HD2 ARG 664 5.044 8.178 0.166 334 HD3 ARG 664 HD3 ARG 664 5.156 6.439 0.424 335 HE ARG 664 HE ARG 664 6.423 6.500 -1.809 336 HH11 ARG 664 HH11 ARG 664 6.579 9.056 0.593 337 HH12 ARG 664 HH12 ARG 664 8.169 9.556 0.124 338 HH21 ARG 664 HH21 ARG 664 8.506 7.169 -2.403 339 HH22 ARG 664 HH22 ARG 664 9.258 8.488 -1.570 340 H ASP 665 H ASP 665 -0.022 8.745 -0.885 341 HA ASP 665 HA ASP 665 -1.482 8.456 1.414 342 HB2 ASP 665 HB2 ASP 665 -1.704 10.077 -1.012 343 HB3 ASP 665 HB3 ASP 665 -3.211 9.877 -0.129 344 H ILE 666 H ILE 666 -2.264 7.139 -1.765 345 HA ILE 666 HA ILE 666 -4.959 6.418 -1.034 346 HB ILE 666 HB ILE 666 -4.450 7.213 -3.352 347 HG12 ILE 666 HG12 ILE 666 -5.622 5.124 -4.482 348 HG13 ILE 666 HG13 ILE 666 -5.803 4.609 -2.809 349 HG21 ILE 666 HG21 ILE 666 -3.463 5.688 -4.991 350 HG22 ILE 666 HG22 ILE 666 -3.046 4.572 -3.691 351 HG23 ILE 666 HG23 ILE 666 -2.307 6.172 -3.750 352 HD11 ILE 666 HD11 ILE 666 -6.988 6.681 -2.301 353 HD12 ILE 666 HD12 ILE 666 -7.778 5.781 -3.595 354 HD13 ILE 666 HD13 ILE 666 -6.801 7.199 -3.976 355 H ASN 667 H ASN 667 -1.831 5.049 -1.524 356 HA ASN 667 HA ASN 667 -2.262 2.355 -1.579 357 HB2 ASN 667 HB2 ASN 667 -0.035 3.969 -0.377 358 HB3 ASN 667 HB3 ASN 667 0.067 2.253 -0.656 359 HD21 ASN 667 HD21 ASN 667 -1.559 2.628 -3.189 360 HD22 ASN 667 HD22 ASN 667 -0.420 3.234 -4.336 361 H GLN 668 H GLN 668 -1.303 3.982 1.581 362 HA GLN 668 HA GLN 668 -2.283 1.678 3.019 363 HB2 GLN 668 HB2 GLN 668 -1.050 2.409 4.716 364 HB3 GLN 668 HB3 GLN 668 -0.550 3.756 3.728 365 HG2 GLN 668 HG2 GLN 668 -1.281 4.887 5.574 366 HG3 GLN 668 HG3 GLN 668 -2.800 4.809 4.682 367 HE21 GLN 668 HE21 GLN 668 -1.010 3.630 7.400 368 HE22 GLN 668 HE22 GLN 668 -2.339 2.873 8.203 369 H LEU 669 H LEU 669 -3.419 4.902 2.359 370 HA LEU 669 HA LEU 669 -5.597 5.134 4.010 371 HB2 LEU 669 HB2 LEU 669 -4.469 6.623 2.127 372 HB3 LEU 669 HB3 LEU 669 -5.768 5.966 1.152 373 HG LEU 669 HG LEU 669 -6.429 7.302 3.764 374 HD11 LEU 669 HD11 LEU 669 -5.409 8.578 1.321 375 HD12 LEU 669 HD12 LEU 669 -5.463 9.171 2.983 376 HD13 LEU 669 HD13 LEU 669 -6.900 9.262 1.967 377 HD21 LEU 669 HD21 LEU 669 -8.198 6.060 2.625 378 HD22 LEU 669 HD22 LEU 669 -7.930 7.006 1.161 379 HD23 LEU 669 HD23 LEU 669 -8.536 7.791 2.620 380 H SER 670 H SER 670 -5.747 4.035 0.598 381 HA SER 670 HA SER 670 -8.383 2.967 0.929 382 HB2 SER 670 HB2 SER 670 -7.464 3.842 -1.231 383 HB3 SER 670 HB3 SER 670 -6.452 2.402 -1.328 384 HG SER 670 HG SER 670 -8.363 1.151 -1.346 385 H GLU 671 H GLU 671 -5.181 1.382 0.569 386 HA GLU 671 HA GLU 671 -6.311 -1.237 0.800 387 HB2 GLU 671 HB2 GLU 671 -3.478 -0.254 0.681 388 HB3 GLU 671 HB3 GLU 671 -3.883 -1.957 0.854 389 HG2 GLU 671 HG2 GLU 671 -3.523 -1.585 -1.454 390 HG3 GLU 671 HG3 GLU 671 -5.261 -1.739 -1.229 391 H ALA 672 H ALA 672 -3.782 0.215 3.048 392 HA ALA 672 HA ALA 672 -4.116 -1.566 5.083 393 HB1 ALA 672 HB1 ALA 672 -2.454 0.274 5.021 394 HB2 ALA 672 HB2 ALA 672 -3.194 0.015 6.598 395 HB3 ALA 672 HB3 ALA 672 -3.715 1.365 5.591 396 H LEU 673 H LEU 673 -6.295 1.293 4.625 397 HA LEU 673 HA LEU 673 -7.649 0.832 7.108 398 HB2 LEU 673 HB2 LEU 673 -8.295 2.517 4.713 399 HB3 LEU 673 HB3 LEU 673 -9.437 2.340 6.029 400 HG LEU 673 HG LEU 673 -6.626 3.320 6.504 401 HD11 LEU 673 HD11 LEU 673 -7.723 4.757 4.818 402 HD12 LEU 673 HD12 LEU 673 -7.427 5.587 6.345 403 HD13 LEU 673 HD13 LEU 673 -9.050 5.023 5.948 404 HD21 LEU 673 HD21 LEU 673 -7.740 4.408 8.458 405 HD22 LEU 673 HD22 LEU 673 -7.766 2.646 8.507 406 HD23 LEU 673 HD23 LEU 673 -9.215 3.536 8.041 407 H LEU 674 H LEU 674 -8.380 -0.095 3.757 408 HA LEU 674 HA LEU 674 -10.959 -1.132 4.181 409 HB2 LEU 674 HB2 LEU 674 -9.661 -0.655 1.981 410 HB3 LEU 674 HB3 LEU 674 -9.074 -2.296 2.158 411 HG LEU 674 HG LEU 674 -11.656 -2.849 2.351 412 HD11 LEU 674 HD11 LEU 674 -11.641 -0.305 0.732 413 HD12 LEU 674 HD12 LEU 674 -12.410 -0.532 2.303 414 HD13 LEU 674 HD13 LEU 674 -12.999 -1.418 0.896 415 HD21 LEU 674 HD21 LEU 674 -10.250 -2.237 -0.245 416 HD22 LEU 674 HD22 LEU 674 -11.682 -3.251 -0.067 417 HD23 LEU 674 HD23 LEU 674 -10.155 -3.744 0.665 418 H SER 675 H SER 675 -7.783 -2.686 4.411 419 HA SER 675 HA SER 675 -8.706 -5.334 4.829 420 HB2 SER 675 HB2 SER 675 -6.400 -4.695 4.074 421 HB3 SER 675 HB3 SER 675 -6.064 -4.161 5.720 422 HG SER 675 HG SER 675 -6.687 -6.377 6.335 423 H LEU 676 H LEU 676 -7.818 -2.732 7.072 424 HA LEU 676 HA LEU 676 -8.039 -4.280 9.453 425 HB2 LEU 676 HB2 LEU 676 -6.801 -2.044 9.027 426 HB3 LEU 676 HB3 LEU 676 -8.351 -1.296 9.347 427 HG LEU 676 HG LEU 676 -8.227 -2.734 11.562 428 HD11 LEU 676 HD11 LEU 676 -6.175 -3.913 10.981 429 HD12 LEU 676 HD12 LEU 676 -5.941 -2.905 12.409 430 HD13 LEU 676 HD13 LEU 676 -5.319 -2.377 10.846 431 HD21 LEU 676 HD21 LEU 676 -6.662 -0.196 11.113 432 HD22 LEU 676 HD22 LEU 676 -7.195 -0.810 12.678 433 HD23 LEU 676 HD23 LEU 676 -8.385 -0.313 11.475 434 H ASN 677 H ASN 677 -10.280 -2.093 7.764 435 HA ASN 677 HA ASN 677 -12.332 -2.224 9.745 436 HB2 ASN 677 HB2 ASN 677 -12.178 -1.179 6.941 437 HB3 ASN 677 HB3 ASN 677 -13.741 -1.319 7.740 438 HD21 ASN 677 HD21 ASN 677 -10.668 0.294 7.710 439 HD22 ASN 677 HD22 ASN 677 -11.099 1.572 8.791 440 H PHE 678 H PHE 678 -11.800 -3.918 6.666 441 HA PHE 678 HA PHE 678 -14.268 -5.358 6.725 442 HB2 PHE 678 HB2 PHE 678 -12.700 -4.810 4.709 443 HB3 PHE 678 HB3 PHE 678 -11.863 -6.284 5.181 444 HD1 PHE 678 HD1 PHE 678 -12.915 -8.450 4.924 445 HD2 PHE 678 HD2 PHE 678 -14.926 -4.881 3.772 446 HE1 PHE 678 HE1 PHE 678 -14.551 -9.784 3.660 447 HE2 PHE 678 HE2 PHE 678 -16.565 -6.209 2.505 448 HZ PHE 678 HZ PHE 678 -16.378 -8.664 2.448 Start of MODEL 6 1 H1 GLY 627 H1 GLY 627 7.680 0.350 -12.636 2 H2 GLY 627 H2 GLY 627 6.226 -0.507 -12.748 3 H3 GLY 627 H3 GLY 627 6.975 -0.306 -11.245 4 HA2 GLY 627 HA2 GLY 627 5.092 1.182 -11.441 5 HA3 GLY 627 HA3 GLY 627 6.603 2.071 -11.325 6 H GLY 628 H GLY 628 3.739 2.051 -12.837 7 HA2 GLY 628 HA2 GLY 628 4.743 3.695 -15.032 8 HA3 GLY 628 HA3 GLY 628 3.800 2.280 -15.475 9 H ILE 629 H ILE 629 1.713 2.137 -13.984 10 HA ILE 629 HA ILE 629 0.494 4.770 -13.654 11 HB ILE 629 HB ILE 629 -1.634 3.828 -14.785 12 HG12 ILE 629 HG12 ILE 629 -0.747 2.443 -16.894 13 HG13 ILE 629 HG13 ILE 629 0.434 1.880 -15.718 14 HG21 ILE 629 HG21 ILE 629 -0.401 5.732 -15.606 15 HG22 ILE 629 HG22 ILE 629 -0.920 4.722 -16.955 16 HG23 ILE 629 HG23 ILE 629 0.756 4.670 -16.409 17 HD11 ILE 629 HD11 ILE 629 -1.384 1.107 -14.277 18 HD12 ILE 629 HD12 ILE 629 -1.439 0.354 -15.871 19 HD13 ILE 629 HD13 ILE 629 -2.557 1.658 -15.472 20 H ARG 630 H ARG 630 -0.807 4.932 -11.954 21 HA ARG 630 HA ARG 630 -1.915 4.479 -10.033 22 HB2 ARG 630 HB2 ARG 630 -2.660 1.997 -11.570 23 HB3 ARG 630 HB3 ARG 630 -3.246 2.294 -9.940 24 HG2 ARG 630 HG2 ARG 630 -4.236 4.422 -10.732 25 HG3 ARG 630 HG3 ARG 630 -3.736 4.002 -12.371 26 HD2 ARG 630 HD2 ARG 630 -5.109 1.993 -12.291 27 HD3 ARG 630 HD3 ARG 630 -5.577 2.363 -10.632 28 HE ARG 630 HE ARG 630 -6.211 4.509 -12.385 29 HH11 ARG 630 HH11 ARG 630 -7.353 1.335 -11.405 30 HH12 ARG 630 HH12 ARG 630 -9.000 1.674 -11.819 31 HH21 ARG 630 HH21 ARG 630 -8.374 4.930 -12.917 32 HH22 ARG 630 HH22 ARG 630 -9.576 3.707 -12.674 33 H LYS 631 H LYS 631 -1.097 4.091 -8.119 34 HA LYS 631 HA LYS 631 0.849 1.907 -7.799 35 HB2 LYS 631 HB2 LYS 631 0.438 4.449 -6.217 36 HB3 LYS 631 HB3 LYS 631 1.560 3.183 -5.749 37 HG2 LYS 631 HG2 LYS 631 2.833 3.519 -7.788 38 HG3 LYS 631 HG3 LYS 631 1.679 4.741 -8.326 39 HD2 LYS 631 HD2 LYS 631 2.237 6.076 -6.304 40 HD3 LYS 631 HD3 LYS 631 3.478 4.887 -5.907 41 HE2 LYS 631 HE2 LYS 631 3.403 6.371 -8.525 42 HE3 LYS 631 HE3 LYS 631 4.265 6.970 -7.109 43 HZ1 LYS 631 HZ1 LYS 631 4.771 4.386 -8.485 44 HZ2 LYS 631 HZ2 LYS 631 5.592 4.941 -7.115 45 HZ3 LYS 631 HZ3 LYS 631 5.743 5.768 -8.582 46 H THR 632 H THR 632 -2.321 2.707 -7.065 47 HA THR 632 HA THR 632 -2.661 1.658 -4.454 48 HB THR 632 HB THR 632 -5.102 1.416 -5.197 49 HG1 THR 632 HG1 THR 632 -5.611 2.437 -7.157 50 HG21 THR 632 HG21 THR 632 -3.673 4.067 -5.337 51 HG22 THR 632 HG22 THR 632 -4.402 3.311 -3.920 52 HG23 THR 632 HG23 THR 632 -5.425 3.891 -5.234 53 H ARG 633 H ARG 633 -2.959 0.218 -7.653 54 HA ARG 633 HA ARG 633 -4.110 -2.220 -7.005 55 HB2 ARG 633 HB2 ARG 633 -2.511 -1.184 -9.265 56 HB3 ARG 633 HB3 ARG 633 -2.629 -2.934 -9.120 57 HG2 ARG 633 HG2 ARG 633 -5.084 -2.739 -9.079 58 HG3 ARG 633 HG3 ARG 633 -4.927 -0.997 -9.312 59 HD2 ARG 633 HD2 ARG 633 -3.665 -2.933 -11.222 60 HD3 ARG 633 HD3 ARG 633 -5.366 -2.493 -11.369 61 HE ARG 633 HE ARG 633 -3.405 -0.332 -11.267 62 HH11 ARG 633 HH11 ARG 633 -5.605 -2.251 -13.220 63 HH12 ARG 633 HH12 ARG 633 -5.606 -1.122 -14.534 64 HH21 ARG 633 HH21 ARG 633 -3.429 1.135 -12.995 65 HH22 ARG 633 HH22 ARG 633 -4.374 0.792 -14.405 66 H GLU 634 H GLU 634 -0.679 -1.304 -6.757 67 HA GLU 634 HA GLU 634 0.245 -4.020 -6.513 68 HB2 GLU 634 HB2 GLU 634 1.569 -1.320 -6.274 69 HB3 GLU 634 HB3 GLU 634 2.413 -2.810 -5.892 70 HG2 GLU 634 HG2 GLU 634 3.046 -2.359 -8.080 71 HG3 GLU 634 HG3 GLU 634 1.770 -3.560 -8.258 72 H THR 635 H THR 635 -0.415 -1.253 -4.529 73 HA THR 635 HA THR 635 0.639 -2.152 -2.108 74 HB THR 635 HB THR 635 -0.652 -0.320 -1.102 75 HG1 THR 635 HG1 THR 635 -2.467 0.065 -2.162 76 HG21 THR 635 HG21 THR 635 1.535 0.070 -2.140 77 HG22 THR 635 HG22 THR 635 0.482 1.463 -2.368 78 HG23 THR 635 HG23 THR 635 0.751 0.337 -3.693 79 H GLU 636 H GLU 636 -2.783 -2.078 -3.154 80 HA GLU 636 HA GLU 636 -3.592 -3.473 -0.805 81 HB2 GLU 636 HB2 GLU 636 -5.836 -3.600 -1.841 82 HB3 GLU 636 HB3 GLU 636 -5.178 -1.975 -1.704 83 HG2 GLU 636 HG2 GLU 636 -5.936 -1.794 -3.825 84 HG3 GLU 636 HG3 GLU 636 -4.417 -2.593 -4.227 85 H ARG 637 H ARG 637 -2.902 -4.483 -4.128 86 HA ARG 637 HA ARG 637 -3.710 -7.179 -3.853 87 HB2 ARG 637 HB2 ARG 637 -1.895 -5.726 -5.724 88 HB3 ARG 637 HB3 ARG 637 -1.852 -7.482 -5.705 89 HG2 ARG 637 HG2 ARG 637 -4.261 -7.534 -6.175 90 HG3 ARG 637 HG3 ARG 637 -4.275 -5.771 -6.228 91 HD2 ARG 637 HD2 ARG 637 -4.152 -6.466 -8.474 92 HD3 ARG 637 HD3 ARG 637 -2.519 -5.955 -8.050 93 HE ARG 637 HE ARG 637 -2.801 -8.728 -7.605 94 HH11 ARG 637 HH11 ARG 637 -2.520 -6.448 -10.262 95 HH12 ARG 637 HH12 ARG 637 -1.814 -7.611 -11.334 96 HH21 ARG 637 HH21 ARG 637 -1.875 -10.231 -9.025 97 HH22 ARG 637 HH22 ARG 637 -1.449 -9.750 -10.634 98 H LEU 638 H LEU 638 -0.583 -5.584 -3.209 99 HA LEU 638 HA LEU 638 1.088 -7.761 -2.745 100 HB2 LEU 638 HB2 LEU 638 2.577 -6.227 -1.872 101 HB3 LEU 638 HB3 LEU 638 1.445 -5.080 -2.555 102 HG LEU 638 HG LEU 638 0.362 -5.335 -0.090 103 HD11 LEU 638 HD11 LEU 638 3.272 -5.614 0.497 104 HD12 LEU 638 HD12 LEU 638 2.107 -6.919 0.636 105 HD13 LEU 638 HD13 LEU 638 1.962 -5.488 1.651 106 HD21 LEU 638 HD21 LEU 638 1.929 -3.352 -1.339 107 HD22 LEU 638 HD22 LEU 638 2.418 -3.457 0.350 108 HD23 LEU 638 HD23 LEU 638 0.718 -3.177 -0.054 109 H ARG 639 H ARG 639 -0.526 -5.854 -0.401 110 HA ARG 639 HA ARG 639 -0.038 -7.493 1.829 111 HB2 ARG 639 HB2 ARG 639 -0.143 -5.089 2.011 112 HB3 ARG 639 HB3 ARG 639 -1.780 -5.070 1.393 113 HG2 ARG 639 HG2 ARG 639 -1.693 -4.657 3.815 114 HG3 ARG 639 HG3 ARG 639 -2.638 -6.090 3.424 115 HD2 ARG 639 HD2 ARG 639 -0.796 -7.524 4.079 116 HD3 ARG 639 HD3 ARG 639 0.233 -6.123 4.360 117 HE ARG 639 HE ARG 639 -2.033 -5.837 5.954 118 HH11 ARG 639 HH11 ARG 639 0.724 -8.003 5.740 119 HH12 ARG 639 HH12 ARG 639 0.708 -8.374 7.432 120 HH21 ARG 639 HH21 ARG 639 -2.033 -6.336 8.164 121 HH22 ARG 639 HH22 ARG 639 -0.852 -7.430 8.802 122 H ARG 640 H ARG 640 -2.956 -7.186 -0.191 123 HA ARG 640 HA ARG 640 -4.641 -8.706 1.501 124 HB2 ARG 640 HB2 ARG 640 -4.773 -7.927 -1.385 125 HB3 ARG 640 HB3 ARG 640 -5.933 -9.076 -0.730 126 HG2 ARG 640 HG2 ARG 640 -6.605 -7.425 0.953 127 HG3 ARG 640 HG3 ARG 640 -5.463 -6.271 0.261 128 HD2 ARG 640 HD2 ARG 640 -6.668 -6.356 -1.866 129 HD3 ARG 640 HD3 ARG 640 -7.805 -7.515 -1.178 130 HE ARG 640 HE ARG 640 -7.692 -5.140 0.377 131 HH11 ARG 640 HH11 ARG 640 -9.052 -6.404 -2.603 132 HH12 ARG 640 HH12 ARG 640 -10.375 -5.286 -2.608 133 HH21 ARG 640 HH21 ARG 640 -9.431 -3.687 0.351 134 HH22 ARG 640 HH22 ARG 640 -10.588 -3.750 -0.937 135 H GLN 641 H GLN 641 -2.718 -9.741 -1.369 136 HA GLN 641 HA GLN 641 -2.767 -12.473 -0.317 137 HB2 GLN 641 HB2 GLN 641 -3.870 -11.684 -3.000 138 HB3 GLN 641 HB3 GLN 641 -3.254 -13.304 -2.709 139 HG2 GLN 641 HG2 GLN 641 -4.873 -13.603 -0.911 140 HG3 GLN 641 HG3 GLN 641 -5.483 -11.972 -1.185 141 HE21 GLN 641 HE21 GLN 641 -6.696 -11.542 -3.029 142 HE22 GLN 641 HE22 GLN 641 -7.408 -12.800 -3.974 143 H LEU 642 H LEU 642 -1.463 -10.263 -2.764 144 HA LEU 642 HA LEU 642 0.594 -11.976 -3.705 145 HB2 LEU 642 HB2 LEU 642 -0.228 -9.173 -4.065 146 HB3 LEU 642 HB3 LEU 642 1.480 -9.467 -4.313 147 HG LEU 642 HG LEU 642 0.727 -11.343 -5.919 148 HD11 LEU 642 HD11 LEU 642 -1.460 -10.878 -7.007 149 HD12 LEU 642 HD12 LEU 642 -1.832 -9.768 -5.688 150 HD13 LEU 642 HD13 LEU 642 -1.598 -11.483 -5.356 151 HD21 LEU 642 HD21 LEU 642 0.263 -8.444 -6.598 152 HD22 LEU 642 HD22 LEU 642 0.512 -9.745 -7.763 153 HD23 LEU 642 HD23 LEU 642 1.805 -9.298 -6.651 154 H LEU 643 H LEU 643 2.883 -10.245 -3.674 155 HA LEU 643 HA LEU 643 4.011 -11.003 -1.136 156 HB2 LEU 643 HB2 LEU 643 5.188 -9.640 -3.560 157 HB3 LEU 643 HB3 LEU 643 6.120 -10.038 -2.131 158 HG LEU 643 HG LEU 643 5.171 -12.473 -2.629 159 HD11 LEU 643 HD11 LEU 643 3.806 -11.788 -4.534 160 HD12 LEU 643 HD12 LEU 643 5.076 -12.907 -5.027 161 HD13 LEU 643 HD13 LEU 643 5.245 -11.182 -5.354 162 HD21 LEU 643 HD21 LEU 643 7.479 -11.190 -4.084 163 HD22 LEU 643 HD22 LEU 643 7.242 -12.924 -3.866 164 HD23 LEU 643 HD23 LEU 643 7.520 -11.889 -2.466 165 H GLU 644 H GLU 644 5.804 -8.370 -1.718 166 HA GLU 644 HA GLU 644 4.120 -6.483 -0.245 167 HB2 GLU 644 HB2 GLU 644 6.790 -7.591 0.546 168 HB3 GLU 644 HB3 GLU 644 6.370 -5.961 1.043 169 HG2 GLU 644 HG2 GLU 644 4.370 -6.833 2.165 170 HG3 GLU 644 HG3 GLU 644 4.826 -8.466 1.681 171 H VAL 645 H VAL 645 3.926 -5.403 -2.408 172 HA VAL 645 HA VAL 645 6.389 -4.699 -3.751 173 HB VAL 645 HB VAL 645 3.468 -4.104 -4.315 174 HG11 VAL 645 HG11 VAL 645 5.948 -3.460 -5.957 175 HG12 VAL 645 HG12 VAL 645 4.638 -2.376 -5.492 176 HG13 VAL 645 HG13 VAL 645 4.356 -3.641 -6.689 177 HG21 VAL 645 HG21 VAL 645 3.764 -5.803 -6.073 178 HG22 VAL 645 HG22 VAL 645 4.086 -6.450 -4.465 179 HG23 VAL 645 HG23 VAL 645 5.426 -6.067 -5.545 180 H PHE 646 H PHE 646 3.757 -2.189 -3.237 181 HA PHE 646 HA PHE 646 5.852 -0.183 -2.975 182 HB2 PHE 646 HB2 PHE 646 3.012 -0.096 -3.733 183 HB3 PHE 646 HB3 PHE 646 3.558 1.261 -2.740 184 HD1 PHE 646 HD1 PHE 646 5.353 2.737 -3.574 185 HD2 PHE 646 HD2 PHE 646 3.689 -0.341 -5.996 186 HE1 PHE 646 HE1 PHE 646 6.308 3.801 -5.576 187 HE2 PHE 646 HE2 PHE 646 4.642 0.716 -8.001 188 HZ PHE 646 HZ PHE 646 5.953 2.790 -7.793 189 H TRP 647 H TRP 647 2.868 -0.914 -1.469 190 HA TRP 647 HA TRP 647 3.280 0.397 0.965 191 HB2 TRP 647 HB2 TRP 647 1.089 0.108 -0.098 192 HB3 TRP 647 HB3 TRP 647 1.275 -1.609 -0.133 193 HD1 TRP 647 HD1 TRP 647 -0.593 0.908 1.548 194 HE1 TRP 647 HE1 TRP 647 -1.539 0.146 3.803 195 HE3 TRP 647 HE3 TRP 647 2.236 -3.306 2.281 196 HZ2 TRP 647 HZ2 TRP 647 -1.163 -1.948 5.637 197 HZ3 TRP 647 HZ3 TRP 647 1.855 -4.631 4.304 198 HH2 TRP 647 HH2 TRP 647 0.184 -3.967 5.950 199 H GLY 648 H GLY 648 3.793 -2.815 -0.307 200 HA2 GLY 648 HA2 GLY 648 4.230 -4.300 1.993 201 HA3 GLY 648 HA3 GLY 648 4.921 -4.619 0.424 202 H GLN 649 H GLN 649 6.848 -2.843 -0.008 203 HA GLN 649 HA GLN 649 9.074 -3.732 1.205 204 HB2 GLN 649 HB2 GLN 649 8.463 -1.033 0.082 205 HB3 GLN 649 HB3 GLN 649 10.058 -1.375 0.738 206 HG2 GLN 649 HG2 GLN 649 10.303 -3.235 -0.822 207 HG3 GLN 649 HG3 GLN 649 8.698 -2.902 -1.472 208 HE21 GLN 649 HE21 GLN 649 8.381 -1.083 -2.754 209 HE22 GLN 649 HE22 GLN 649 9.696 -0.217 -3.464 210 H ASP 650 H ASP 650 8.577 -4.169 3.433 211 HA ASP 650 HA ASP 650 8.488 -3.843 5.690 212 HB2 ASP 650 HB2 ASP 650 10.966 -2.349 4.851 213 HB3 ASP 650 HB3 ASP 650 10.578 -2.665 6.539 214 H HIS 651 H HIS 651 10.011 -0.751 5.793 215 HA HIS 651 HA HIS 651 8.155 0.500 7.439 216 HB2 HIS 651 HB2 HIS 651 10.233 1.679 5.590 217 HB3 HIS 651 HB3 HIS 651 9.300 2.647 6.726 218 HD1 HIS 651 HD1 HIS 651 10.068 2.675 9.128 219 HD2 HIS 651 HD2 HIS 651 12.035 -0.182 6.839 220 HE1 HIS 651 HE1 HIS 651 11.931 1.814 10.582 221 HE2 HIS 651 HE2 HIS 651 13.109 0.086 9.177 222 H LYS 652 H LYS 652 8.446 0.504 3.998 223 HA LYS 652 HA LYS 652 6.836 2.481 3.072 224 HB2 LYS 652 HB2 LYS 652 7.415 -0.240 1.985 225 HB3 LYS 652 HB3 LYS 652 6.410 0.905 1.109 226 HG2 LYS 652 HG2 LYS 652 8.709 2.331 1.854 227 HG3 LYS 652 HG3 LYS 652 9.274 0.764 1.277 228 HD2 LYS 652 HD2 LYS 652 7.958 1.066 -0.779 229 HD3 LYS 652 HD3 LYS 652 7.434 2.647 -0.198 230 HE2 LYS 652 HE2 LYS 652 9.773 3.391 -0.153 231 HE3 LYS 652 HE3 LYS 652 10.278 1.816 -0.763 232 HZ1 LYS 652 HZ1 LYS 652 8.987 2.228 -2.770 233 HZ2 LYS 652 HZ2 LYS 652 10.147 3.437 -2.539 234 HZ3 LYS 652 HZ3 LYS 652 8.523 3.746 -2.184 235 H VAL 653 H VAL 653 5.700 -0.470 4.534 236 HA VAL 653 HA VAL 653 3.283 -0.978 3.352 237 HB VAL 653 HB VAL 653 2.535 -1.974 5.531 238 HG11 VAL 653 HG11 VAL 653 4.362 -3.640 5.704 239 HG12 VAL 653 HG12 VAL 653 5.347 -2.618 4.657 240 HG13 VAL 653 HG13 VAL 653 3.852 -3.325 4.046 241 HG21 VAL 653 HG21 VAL 653 3.388 -0.635 7.257 242 HG22 VAL 653 HG22 VAL 653 5.015 -0.632 6.578 243 HG23 VAL 653 HG23 VAL 653 4.377 -2.094 7.330 244 H ASP 654 H ASP 654 3.382 0.838 6.419 245 HA ASP 654 HA ASP 654 0.945 2.163 5.727 246 HB2 ASP 654 HB2 ASP 654 1.254 3.413 7.878 247 HB3 ASP 654 HB3 ASP 654 1.066 1.668 7.995 248 H PHE 655 H PHE 655 4.202 2.651 5.283 249 HA PHE 655 HA PHE 655 4.576 5.422 5.561 250 HB2 PHE 655 HB2 PHE 655 6.220 3.194 4.946 251 HB3 PHE 655 HB3 PHE 655 6.493 4.457 3.745 252 HD1 PHE 655 HD1 PHE 655 6.739 3.560 7.286 253 HD2 PHE 655 HD2 PHE 655 7.454 6.576 4.368 254 HE1 PHE 655 HE1 PHE 655 8.165 4.767 8.887 255 HE2 PHE 655 HE2 PHE 655 8.882 7.787 5.964 256 HZ PHE 655 HZ PHE 655 9.238 6.883 8.227 257 H ILE 656 H ILE 656 3.599 3.419 2.774 258 HA ILE 656 HA ILE 656 4.079 5.108 0.700 259 HB ILE 656 HB ILE 656 1.322 4.632 0.221 260 HG12 ILE 656 HG12 ILE 656 0.896 2.321 0.653 261 HG13 ILE 656 HG13 ILE 656 2.428 2.104 1.494 262 HG21 ILE 656 HG21 ILE 656 2.178 2.825 -1.277 263 HG22 ILE 656 HG22 ILE 656 3.757 2.965 -0.510 264 HG23 ILE 656 HG23 ILE 656 3.094 4.324 -1.411 265 HD11 ILE 656 HD11 ILE 656 0.580 2.267 3.033 266 HD12 ILE 656 HD12 ILE 656 0.115 3.814 2.322 267 HD13 ILE 656 HD13 ILE 656 1.633 3.673 3.209 268 H LEU 657 H LEU 657 1.148 5.412 2.747 269 HA LEU 657 HA LEU 657 0.257 7.802 1.651 270 HB2 LEU 657 HB2 LEU 657 -1.246 6.468 2.825 271 HB3 LEU 657 HB3 LEU 657 -0.204 6.392 4.234 272 HG LEU 657 HG LEU 657 -1.292 9.083 3.578 273 HD11 LEU 657 HD11 LEU 657 -2.992 6.916 4.804 274 HD12 LEU 657 HD12 LEU 657 -3.238 7.635 3.213 275 HD13 LEU 657 HD13 LEU 657 -3.416 8.622 4.663 276 HD21 LEU 657 HD21 LEU 657 0.164 8.740 5.504 277 HD22 LEU 657 HD22 LEU 657 -0.952 7.533 6.144 278 HD23 LEU 657 HD23 LEU 657 -1.455 9.218 6.014 279 H GLN 658 H GLN 658 2.061 7.448 4.738 280 HA GLN 658 HA GLN 658 3.225 8.911 6.015 281 HB2 GLN 658 HB2 GLN 658 4.041 9.557 3.243 282 HB3 GLN 658 HB3 GLN 658 4.446 10.762 4.455 283 HG2 GLN 658 HG2 GLN 658 5.132 7.872 4.847 284 HG3 GLN 658 HG3 GLN 658 6.169 8.944 3.909 285 HE21 GLN 658 HE21 GLN 658 4.907 8.208 7.065 286 HE22 GLN 658 HE22 GLN 658 6.026 9.173 7.961 287 H ARG 659 H ARG 659 2.665 11.552 3.702 288 HA ARG 659 HA ARG 659 0.363 12.649 4.940 289 HB2 ARG 659 HB2 ARG 659 2.918 13.284 6.199 290 HB3 ARG 659 HB3 ARG 659 2.052 14.724 5.682 291 HG2 ARG 659 HG2 ARG 659 0.090 13.994 6.950 292 HG3 ARG 659 HG3 ARG 659 0.973 12.560 7.478 293 HD2 ARG 659 HD2 ARG 659 2.629 13.987 8.579 294 HD3 ARG 659 HD3 ARG 659 1.748 15.419 8.048 295 HE ARG 659 HE ARG 659 0.018 13.734 9.498 296 HH11 ARG 659 HH11 ARG 659 2.738 15.887 10.053 297 HH12 ARG 659 HH12 ARG 659 2.263 16.254 11.677 298 HH21 ARG 659 HH21 ARG 659 -0.584 14.231 11.626 299 HH22 ARG 659 HH22 ARG 659 0.384 15.317 12.566 300 H GLU 660 H GLU 660 2.748 12.691 2.533 301 HA GLU 660 HA GLU 660 1.699 15.233 1.481 302 HB2 GLU 660 HB2 GLU 660 4.459 14.096 1.368 303 HB3 GLU 660 HB3 GLU 660 3.919 15.207 0.119 304 HG2 GLU 660 HG2 GLU 660 3.446 16.892 1.801 305 HG3 GLU 660 HG3 GLU 660 3.924 15.771 3.075 306 HA PRO 661 HA PRO 661 1.950 12.524 -2.485 307 HB2 PRO 661 HB2 PRO 661 2.371 9.743 -1.796 308 HB3 PRO 661 HB3 PRO 661 3.359 10.783 -2.822 309 HG2 PRO 661 HG2 PRO 661 4.220 9.864 -0.423 310 HG3 PRO 661 HG3 PRO 661 4.740 11.414 -1.112 311 HD2 PRO 661 HD2 PRO 661 2.656 10.885 0.973 312 HD3 PRO 661 HD3 PRO 661 3.915 12.134 0.931 313 H TYR 662 H TYR 662 0.029 12.163 -3.362 314 HA TYR 662 HA TYR 662 -2.219 11.352 -1.801 315 HB2 TYR 662 HB2 TYR 662 -1.931 12.010 -4.732 316 HB3 TYR 662 HB3 TYR 662 -3.471 11.628 -3.970 317 HD1 TYR 662 HD1 TYR 662 -0.779 14.105 -4.239 318 HD2 TYR 662 HD2 TYR 662 -4.545 13.206 -2.475 319 HE1 TYR 662 HE1 TYR 662 -1.029 16.462 -3.586 320 HE2 TYR 662 HE2 TYR 662 -4.806 15.561 -1.818 321 HH TYR 662 HH TYR 662 -3.369 17.522 -1.383 322 H CYS 663 H CYS 663 -0.580 9.842 -4.604 323 HA CYS 663 HA CYS 663 -2.247 7.616 -4.902 324 HB2 CYS 663 HB2 CYS 663 0.722 7.773 -5.458 325 HB3 CYS 663 HB3 CYS 663 -0.396 6.591 -6.129 326 HG CYS 663 HG CYS 663 0.363 9.591 -7.235 327 H ARG 664 H ARG 664 0.556 8.072 -2.821 328 HA ARG 664 HA ARG 664 0.678 5.385 -1.885 329 HB2 ARG 664 HB2 ARG 664 1.968 7.864 -0.733 330 HB3 ARG 664 HB3 ARG 664 2.416 6.202 -0.363 331 HG2 ARG 664 HG2 ARG 664 2.928 6.015 -2.894 332 HG3 ARG 664 HG3 ARG 664 2.892 7.776 -2.888 333 HD2 ARG 664 HD2 ARG 664 4.568 7.696 -1.011 334 HD3 ARG 664 HD3 ARG 664 4.710 5.968 -1.311 335 HE ARG 664 HE ARG 664 5.106 7.379 -3.716 336 HH11 ARG 664 HH11 ARG 664 6.752 6.729 -0.682 337 HH12 ARG 664 HH12 ARG 664 8.332 6.920 -1.366 338 HH21 ARG 664 HH21 ARG 664 7.184 7.626 -4.588 339 HH22 ARG 664 HH22 ARG 664 8.575 7.427 -3.576 340 H ASP 665 H ASP 665 -0.588 8.457 -0.878 341 HA ASP 665 HA ASP 665 -1.544 8.046 1.662 342 HB2 ASP 665 HB2 ASP 665 -1.637 10.133 0.079 343 HB3 ASP 665 HB3 ASP 665 -3.245 9.522 -0.296 344 H ILE 666 H ILE 666 -2.746 6.704 -1.293 345 HA ILE 666 HA ILE 666 -5.436 6.214 -0.307 346 HB ILE 666 HB ILE 666 -4.263 5.258 -2.926 347 HG12 ILE 666 HG12 ILE 666 -4.083 7.670 -3.002 348 HG13 ILE 666 HG13 ILE 666 -5.413 7.173 -4.032 349 HG21 ILE 666 HG21 ILE 666 -7.122 5.578 -2.016 350 HG22 ILE 666 HG22 ILE 666 -6.261 4.065 -2.295 351 HG23 ILE 666 HG23 ILE 666 -6.627 5.132 -3.650 352 HD11 ILE 666 HD11 ILE 666 -5.660 8.378 -1.276 353 HD12 ILE 666 HD12 ILE 666 -7.005 7.878 -2.302 354 HD13 ILE 666 HD13 ILE 666 -5.954 9.200 -2.809 355 H ASN 667 H ASN 667 -2.450 4.695 -1.112 356 HA ASN 667 HA ASN 667 -3.050 2.023 -0.859 357 HB2 ASN 667 HB2 ASN 667 -0.504 3.455 -0.184 358 HB3 ASN 667 HB3 ASN 667 -0.666 1.751 -0.573 359 HD21 ASN 667 HD21 ASN 667 0.935 3.712 -1.931 360 HD22 ASN 667 HD22 ASN 667 0.369 3.793 -3.560 361 H GLN 668 H GLN 668 -1.580 3.976 1.893 362 HA GLN 668 HA GLN 668 -1.975 1.892 3.824 363 HB2 GLN 668 HB2 GLN 668 -0.514 4.011 4.084 364 HB3 GLN 668 HB3 GLN 668 -2.009 4.829 4.498 365 HG2 GLN 668 HG2 GLN 668 -1.189 2.430 6.042 366 HG3 GLN 668 HG3 GLN 668 -0.393 3.967 6.342 367 HE21 GLN 668 HE21 GLN 668 -1.544 5.656 7.241 368 HE22 GLN 668 HE22 GLN 668 -3.081 5.431 7.998 369 H LEU 669 H LEU 669 -3.748 4.682 2.805 370 HA LEU 669 HA LEU 669 -5.904 4.752 4.519 371 HB2 LEU 669 HB2 LEU 669 -4.938 6.114 2.373 372 HB3 LEU 669 HB3 LEU 669 -6.327 5.321 1.646 373 HG LEU 669 HG LEU 669 -6.709 6.878 4.186 374 HD11 LEU 669 HD11 LEU 669 -5.484 8.374 2.704 375 HD12 LEU 669 HD12 LEU 669 -7.164 8.884 2.868 376 HD13 LEU 669 HD13 LEU 669 -6.635 8.048 1.408 377 HD21 LEU 669 HD21 LEU 669 -8.944 7.225 3.255 378 HD22 LEU 669 HD22 LEU 669 -8.556 5.507 3.355 379 HD23 LEU 669 HD23 LEU 669 -8.482 6.339 1.801 380 H SER 670 H SER 670 -5.898 3.407 1.220 381 HA SER 670 HA SER 670 -8.294 1.907 1.623 382 HB2 SER 670 HB2 SER 670 -6.284 1.770 -0.634 383 HB3 SER 670 HB3 SER 670 -7.870 1.000 -0.637 384 HG SER 670 HG SER 670 -7.833 3.060 -1.696 385 H GLU 671 H GLU 671 -4.846 0.850 1.154 386 HA GLU 671 HA GLU 671 -5.595 -1.862 1.690 387 HB2 GLU 671 HB2 GLU 671 -3.764 -1.400 0.165 388 HB3 GLU 671 HB3 GLU 671 -2.846 -0.643 1.453 389 HG2 GLU 671 HG2 GLU 671 -2.124 -2.954 0.855 390 HG3 GLU 671 HG3 GLU 671 -2.501 -2.713 2.555 391 H ALA 672 H ALA 672 -3.248 0.244 3.609 392 HA ALA 672 HA ALA 672 -3.233 -1.518 5.771 393 HB1 ALA 672 HB1 ALA 672 -2.953 1.448 5.973 394 HB2 ALA 672 HB2 ALA 672 -1.678 0.320 5.501 395 HB3 ALA 672 HB3 ALA 672 -2.362 0.251 7.125 396 H LEU 673 H LEU 673 -5.695 1.099 5.334 397 HA LEU 673 HA LEU 673 -6.735 0.732 7.980 398 HB2 LEU 673 HB2 LEU 673 -7.252 2.473 5.754 399 HB3 LEU 673 HB3 LEU 673 -8.760 1.870 6.410 400 HG LEU 673 HG LEU 673 -7.755 2.626 8.708 401 HD11 LEU 673 HD11 LEU 673 -6.230 4.400 6.803 402 HD12 LEU 673 HD12 LEU 673 -5.520 3.151 7.825 403 HD13 LEU 673 HD13 LEU 673 -6.295 4.555 8.559 404 HD21 LEU 673 HD21 LEU 673 -8.750 4.842 8.389 405 HD22 LEU 673 HD22 LEU 673 -9.751 3.566 7.697 406 HD23 LEU 673 HD23 LEU 673 -8.762 4.580 6.645 407 H LEU 674 H LEU 674 -7.745 -0.515 4.801 408 HA LEU 674 HA LEU 674 -10.172 -1.682 5.674 409 HB2 LEU 674 HB2 LEU 674 -8.544 -1.714 3.249 410 HB3 LEU 674 HB3 LEU 674 -9.403 -3.215 3.522 411 HG LEU 674 HG LEU 674 -11.493 -1.684 3.818 412 HD11 LEU 674 HD11 LEU 674 -10.296 0.444 3.847 413 HD12 LEU 674 HD12 LEU 674 -11.416 0.361 2.487 414 HD13 LEU 674 HD13 LEU 674 -9.688 0.130 2.221 415 HD21 LEU 674 HD21 LEU 674 -11.200 -3.287 2.017 416 HD22 LEU 674 HD22 LEU 674 -10.206 -2.132 1.130 417 HD23 LEU 674 HD23 LEU 674 -11.914 -1.793 1.410 418 H SER 675 H SER 675 -6.898 -3.029 5.402 419 HA SER 675 HA SER 675 -7.649 -5.704 6.048 420 HB2 SER 675 HB2 SER 675 -4.960 -4.325 6.070 421 HB3 SER 675 HB3 SER 675 -5.186 -6.054 6.337 422 HG SER 675 HG SER 675 -4.946 -6.049 4.224 423 H LEU 676 H LEU 676 -6.329 -3.021 7.965 424 HA LEU 676 HA LEU 676 -6.019 -4.529 10.367 425 HB2 LEU 676 HB2 LEU 676 -5.843 -1.649 9.623 426 HB3 LEU 676 HB3 LEU 676 -6.017 -2.046 11.315 427 HG LEU 676 HG LEU 676 -3.677 -1.638 10.672 428 HD11 LEU 676 HD11 LEU 676 -2.692 -3.429 11.840 429 HD12 LEU 676 HD12 LEU 676 -3.985 -4.538 11.389 430 HD13 LEU 676 HD13 LEU 676 -4.307 -3.223 12.519 431 HD21 LEU 676 HD21 LEU 676 -3.962 -4.081 8.928 432 HD22 LEU 676 HD22 LEU 676 -2.452 -3.247 9.293 433 HD23 LEU 676 HD23 LEU 676 -3.714 -2.424 8.376 434 H ASN 677 H ASN 677 -8.550 -2.321 9.196 435 HA ASN 677 HA ASN 677 -10.073 -2.384 11.611 436 HB2 ASN 677 HB2 ASN 677 -10.641 -1.399 8.828 437 HB3 ASN 677 HB3 ASN 677 -11.892 -1.407 10.067 438 HD21 ASN 677 HD21 ASN 677 -11.696 -0.046 11.847 439 HD22 ASN 677 HD22 ASN 677 -10.613 1.300 11.854 440 H PHE 678 H PHE 678 -10.570 -3.940 8.426 441 HA PHE 678 HA PHE 678 -12.864 -5.420 9.274 442 HB2 PHE 678 HB2 PHE 678 -12.096 -4.707 6.866 443 HB3 PHE 678 HB3 PHE 678 -11.219 -6.232 6.903 444 HD1 PHE 678 HD1 PHE 678 -12.400 -8.348 6.905 445 HD2 PHE 678 HD2 PHE 678 -14.510 -4.653 6.797 446 HE1 PHE 678 HE1 PHE 678 -14.446 -9.540 6.236 447 HE2 PHE 678 HE2 PHE 678 -16.559 -5.838 6.128 448 HZ PHE 678 HZ PHE 678 -16.529 -8.285 5.846 Start of MODEL 7 1 H1 GLY 627 H1 GLY 627 -0.999 4.772 -20.374 2 H2 GLY 627 H2 GLY 627 0.241 4.697 -19.227 3 H3 GLY 627 H3 GLY 627 -1.187 5.532 -18.874 4 HA2 GLY 627 HA2 GLY 627 -2.449 3.468 -18.968 5 HA3 GLY 627 HA3 GLY 627 -0.959 2.605 -19.317 6 H GLY 628 H GLY 628 -2.021 5.057 -16.954 7 HA2 GLY 628 HA2 GLY 628 -1.713 3.320 -14.714 8 HA3 GLY 628 HA3 GLY 628 -0.325 4.387 -14.876 9 H ILE 629 H ILE 629 -2.771 4.090 -12.994 10 HA ILE 629 HA ILE 629 -3.209 6.969 -12.730 11 HB ILE 629 HB ILE 629 -5.650 6.506 -12.124 12 HG12 ILE 629 HG12 ILE 629 -5.716 4.265 -14.053 13 HG13 ILE 629 HG13 ILE 629 -5.024 3.864 -12.486 14 HG21 ILE 629 HG21 ILE 629 -4.984 7.757 -14.082 15 HG22 ILE 629 HG22 ILE 629 -6.364 6.727 -14.463 16 HG23 ILE 629 HG23 ILE 629 -4.746 6.263 -14.988 17 HD11 ILE 629 HD11 ILE 629 -7.752 5.045 -12.966 18 HD12 ILE 629 HD12 ILE 629 -7.062 4.651 -11.391 19 HD13 ILE 629 HD13 ILE 629 -7.397 3.367 -12.553 20 H ARG 630 H ARG 630 -3.720 3.774 -11.265 21 HA ARG 630 HA ARG 630 -3.079 4.946 -8.643 22 HB2 ARG 630 HB2 ARG 630 -5.317 3.069 -9.353 23 HB3 ARG 630 HB3 ARG 630 -4.670 3.127 -7.721 24 HG2 ARG 630 HG2 ARG 630 -5.222 5.516 -7.602 25 HG3 ARG 630 HG3 ARG 630 -5.907 5.424 -9.226 26 HD2 ARG 630 HD2 ARG 630 -7.550 3.798 -8.454 27 HD3 ARG 630 HD3 ARG 630 -6.851 3.844 -6.836 28 HE ARG 630 HE ARG 630 -7.637 6.437 -7.701 29 HH11 ARG 630 HH11 ARG 630 -8.955 3.449 -6.407 30 HH12 ARG 630 HH12 ARG 630 -10.330 4.228 -5.699 31 HH21 ARG 630 HH21 ARG 630 -9.445 7.435 -6.766 32 HH22 ARG 630 HH22 ARG 630 -10.606 6.483 -5.903 33 H LYS 631 H LYS 631 -1.814 3.733 -7.288 34 HA LYS 631 HA LYS 631 -0.525 1.397 -8.501 35 HB2 LYS 631 HB2 LYS 631 0.341 3.322 -6.348 36 HB3 LYS 631 HB3 LYS 631 1.172 1.794 -6.606 37 HG2 LYS 631 HG2 LYS 631 1.502 2.514 -9.001 38 HG3 LYS 631 HG3 LYS 631 0.929 4.108 -8.507 39 HD2 LYS 631 HD2 LYS 631 2.728 4.189 -6.814 40 HD3 LYS 631 HD3 LYS 631 3.322 2.637 -7.404 41 HE2 LYS 631 HE2 LYS 631 3.706 3.622 -9.609 42 HE3 LYS 631 HE3 LYS 631 3.106 5.173 -9.023 43 HZ1 LYS 631 HZ1 LYS 631 5.502 3.749 -7.997 44 HZ2 LYS 631 HZ2 LYS 631 4.931 5.240 -7.441 45 HZ3 LYS 631 HZ3 LYS 631 5.519 5.097 -9.020 46 H THR 632 H THR 632 -2.808 0.559 -7.830 47 HA THR 632 HA THR 632 -3.214 -0.216 -5.118 48 HB THR 632 HB THR 632 -5.146 0.098 -6.526 49 HG1 THR 632 HG1 THR 632 -5.723 -1.350 -5.044 50 HG21 THR 632 HG21 THR 632 -4.129 -0.634 -8.688 51 HG22 THR 632 HG22 THR 632 -5.733 -1.306 -8.393 52 HG23 THR 632 HG23 THR 632 -4.301 -2.306 -8.152 53 H ARG 633 H ARG 633 -1.911 -1.844 -7.947 54 HA ARG 633 HA ARG 633 -1.839 -4.476 -7.103 55 HB2 ARG 633 HB2 ARG 633 -0.002 -2.952 -8.936 56 HB3 ARG 633 HB3 ARG 633 0.141 -4.684 -8.681 57 HG2 ARG 633 HG2 ARG 633 -1.162 -4.699 -10.544 58 HG3 ARG 633 HG3 ARG 633 -2.436 -4.611 -9.327 59 HD2 ARG 633 HD2 ARG 633 -2.493 -2.165 -9.592 60 HD3 ARG 633 HD3 ARG 633 -1.250 -2.282 -10.836 61 HE ARG 633 HE ARG 633 -3.386 -3.938 -11.563 62 HH11 ARG 633 HH11 ARG 633 -2.724 -0.505 -11.230 63 HH12 ARG 633 HH12 ARG 633 -3.883 -0.048 -12.433 64 HH21 ARG 633 HH21 ARG 633 -4.894 -3.317 -13.136 65 HH22 ARG 633 HH22 ARG 633 -5.110 -1.640 -13.511 66 H GLU 634 H GLU 634 0.573 -1.935 -6.284 67 HA GLU 634 HA GLU 634 2.462 -3.832 -5.300 68 HB2 GLU 634 HB2 GLU 634 2.346 -0.813 -5.191 69 HB3 GLU 634 HB3 GLU 634 3.648 -1.761 -4.487 70 HG2 GLU 634 HG2 GLU 634 4.525 -1.144 -6.536 71 HG3 GLU 634 HG3 GLU 634 3.896 -2.756 -6.862 72 H THR 635 H THR 635 0.087 -1.592 -4.018 73 HA THR 635 HA THR 635 0.769 -1.998 -1.304 74 HB THR 635 HB THR 635 -0.160 0.064 -1.803 75 HG1 THR 635 HG1 THR 635 -0.932 -0.922 0.159 76 HG21 THR 635 HG21 THR 635 -2.715 -1.183 -2.811 77 HG22 THR 635 HG22 THR 635 -1.389 -0.745 -3.881 78 HG23 THR 635 HG23 THR 635 -2.205 0.497 -2.946 79 H GLU 636 H GLU 636 -2.278 -2.893 -2.950 80 HA GLU 636 HA GLU 636 -3.062 -4.505 -0.752 81 HB2 GLU 636 HB2 GLU 636 -4.687 -3.226 -1.937 82 HB3 GLU 636 HB3 GLU 636 -4.341 -4.085 -3.440 83 HG2 GLU 636 HG2 GLU 636 -5.237 -6.147 -2.461 84 HG3 GLU 636 HG3 GLU 636 -5.555 -5.290 -0.953 85 H ARG 637 H ARG 637 -1.773 -5.307 -3.977 86 HA ARG 637 HA ARG 637 -2.154 -8.122 -3.609 87 HB2 ARG 637 HB2 ARG 637 -1.769 -6.693 -5.809 88 HB3 ARG 637 HB3 ARG 637 -0.092 -7.126 -5.510 89 HG2 ARG 637 HG2 ARG 637 -0.698 -9.497 -5.530 90 HG3 ARG 637 HG3 ARG 637 -2.381 -9.062 -5.829 91 HD2 ARG 637 HD2 ARG 637 -1.493 -9.623 -7.936 92 HD3 ARG 637 HD3 ARG 637 -1.552 -7.862 -7.905 93 HE ARG 637 HE ARG 637 0.977 -8.668 -7.020 94 HH11 ARG 637 HH11 ARG 637 -0.888 -8.710 -9.996 95 HH12 ARG 637 HH12 ARG 637 0.515 -8.651 -11.010 96 HH21 ARG 637 HH21 ARG 637 2.798 -8.584 -8.368 97 HH22 ARG 637 HH22 ARG 637 2.598 -8.580 -10.089 98 H LEU 638 H LEU 638 0.609 -5.922 -3.105 99 HA LEU 638 HA LEU 638 2.624 -7.813 -2.674 100 HB2 LEU 638 HB2 LEU 638 3.834 -5.948 -2.453 101 HB3 LEU 638 HB3 LEU 638 2.355 -5.044 -2.608 102 HG LEU 638 HG LEU 638 3.297 -5.875 0.145 103 HD11 LEU 638 HD11 LEU 638 4.626 -3.906 0.289 104 HD12 LEU 638 HD12 LEU 638 4.185 -3.440 -1.342 105 HD13 LEU 638 HD13 LEU 638 5.176 -4.872 -1.066 106 HD21 LEU 638 HD21 LEU 638 1.928 -3.342 -0.777 107 HD22 LEU 638 HD22 LEU 638 2.270 -3.787 0.893 108 HD23 LEU 638 HD23 LEU 638 1.078 -4.691 -0.047 109 H ARG 639 H ARG 639 1.007 -5.975 -0.208 110 HA ARG 639 HA ARG 639 1.825 -7.526 1.973 111 HB2 ARG 639 HB2 ARG 639 1.320 -5.294 2.376 112 HB3 ARG 639 HB3 ARG 639 -0.247 -5.408 1.606 113 HG2 ARG 639 HG2 ARG 639 -0.572 -5.166 3.973 114 HG3 ARG 639 HG3 ARG 639 -1.063 -6.792 3.504 115 HD2 ARG 639 HD2 ARG 639 0.935 -7.733 4.401 116 HD3 ARG 639 HD3 ARG 639 1.648 -6.139 4.643 117 HE ARG 639 HE ARG 639 -0.495 -5.957 6.196 118 HH11 ARG 639 HH11 ARG 639 1.803 -8.601 5.928 119 HH12 ARG 639 HH12 ARG 639 1.584 -9.109 7.569 120 HH21 ARG 639 HH21 ARG 639 -0.762 -6.639 8.342 121 HH22 ARG 639 HH22 ARG 639 0.133 -7.999 8.932 122 H ARG 640 H ARG 640 -1.242 -7.799 0.160 123 HA ARG 640 HA ARG 640 -2.704 -9.395 1.886 124 HB2 ARG 640 HB2 ARG 640 -2.677 -8.986 -1.027 125 HB3 ARG 640 HB3 ARG 640 -3.384 -10.508 -0.503 126 HG2 ARG 640 HG2 ARG 640 -4.889 -9.243 1.000 127 HG3 ARG 640 HG3 ARG 640 -4.227 -7.743 0.344 128 HD2 ARG 640 HD2 ARG 640 -4.981 -8.398 -1.893 129 HD3 ARG 640 HD3 ARG 640 -5.645 -9.891 -1.232 130 HE ARG 640 HE ARG 640 -6.714 -7.621 0.098 131 HH11 ARG 640 HH11 ARG 640 -7.012 -9.434 -2.897 132 HH12 ARG 640 HH12 ARG 640 -8.655 -8.950 -3.159 133 HH21 ARG 640 HH21 ARG 640 -8.866 -7.005 -0.266 134 HH22 ARG 640 HH22 ARG 640 -9.701 -7.578 -1.671 135 H GLN 641 H GLN 641 -0.190 -10.441 -0.387 136 HA GLN 641 HA GLN 641 -0.446 -13.209 0.498 137 HB2 GLN 641 HB2 GLN 641 1.224 -11.888 -1.643 138 HB3 GLN 641 HB3 GLN 641 1.428 -13.575 -1.195 139 HG2 GLN 641 HG2 GLN 641 -0.899 -14.016 -1.811 140 HG3 GLN 641 HG3 GLN 641 -1.094 -12.324 -2.267 141 HE21 GLN 641 HE21 GLN 641 -0.092 -11.560 -4.128 142 HE22 GLN 641 HE22 GLN 641 0.511 -12.622 -5.350 143 H LEU 642 H LEU 642 2.059 -10.670 0.379 144 HA LEU 642 HA LEU 642 3.107 -11.260 2.946 145 HB2 LEU 642 HB2 LEU 642 5.478 -11.821 1.992 146 HB3 LEU 642 HB3 LEU 642 4.307 -13.100 2.227 147 HG LEU 642 HG LEU 642 3.775 -12.538 -0.339 148 HD11 LEU 642 HD11 LEU 642 5.848 -12.102 -1.549 149 HD12 LEU 642 HD12 LEU 642 6.695 -11.867 -0.020 150 HD13 LEU 642 HD13 LEU 642 5.418 -10.750 -0.501 151 HD21 LEU 642 HD21 LEU 642 6.046 -14.262 0.641 152 HD22 LEU 642 HD22 LEU 642 5.257 -14.398 -0.930 153 HD23 LEU 642 HD23 LEU 642 4.347 -14.726 0.545 154 H LEU 643 H LEU 643 3.907 -9.419 3.717 155 HA LEU 643 HA LEU 643 3.923 -6.979 2.476 156 HB2 LEU 643 HB2 LEU 643 6.009 -7.582 4.550 157 HB3 LEU 643 HB3 LEU 643 5.101 -6.105 4.315 158 HG LEU 643 HG LEU 643 3.097 -7.818 4.957 159 HD11 LEU 643 HD11 LEU 643 5.496 -8.711 6.539 160 HD12 LEU 643 HD12 LEU 643 4.629 -9.672 5.342 161 HD13 LEU 643 HD13 LEU 643 3.823 -9.185 6.833 162 HD21 LEU 643 HD21 LEU 643 3.169 -6.816 7.179 163 HD22 LEU 643 HD22 LEU 643 3.505 -5.614 5.933 164 HD23 LEU 643 HD23 LEU 643 4.825 -6.283 6.891 165 H GLU 644 H GLU 644 5.115 -6.078 0.798 166 HA GLU 644 HA GLU 644 7.925 -6.789 0.671 167 HB2 GLU 644 HB2 GLU 644 5.941 -7.730 -1.293 168 HB3 GLU 644 HB3 GLU 644 7.467 -7.149 -1.945 169 HG2 GLU 644 HG2 GLU 644 7.367 -9.159 0.277 170 HG3 GLU 644 HG3 GLU 644 7.259 -9.637 -1.415 171 H VAL 645 H VAL 645 5.820 -5.153 -1.845 172 HA VAL 645 HA VAL 645 8.139 -3.527 -2.467 173 HB VAL 645 HB VAL 645 5.289 -3.554 -3.584 174 HG11 VAL 645 HG11 VAL 645 6.420 -1.401 -4.090 175 HG12 VAL 645 HG12 VAL 645 6.219 -2.381 -5.542 176 HG13 VAL 645 HG13 VAL 645 7.798 -2.270 -4.765 177 HG21 VAL 645 HG21 VAL 645 6.517 -5.652 -3.881 178 HG22 VAL 645 HG22 VAL 645 7.866 -4.791 -4.621 179 HG23 VAL 645 HG23 VAL 645 6.296 -4.825 -5.423 180 H PHE 646 H PHE 646 4.843 -1.961 -2.297 181 HA PHE 646 HA PHE 646 6.178 0.416 -1.311 182 HB2 PHE 646 HB2 PHE 646 3.646 -0.080 -2.713 183 HB3 PHE 646 HB3 PHE 646 3.597 1.208 -1.508 184 HD1 PHE 646 HD1 PHE 646 5.032 3.185 -1.750 185 HD2 PHE 646 HD2 PHE 646 4.875 0.175 -4.749 186 HE1 PHE 646 HE1 PHE 646 6.071 4.734 -3.352 187 HE2 PHE 646 HE2 PHE 646 5.917 1.715 -6.358 188 HZ PHE 646 HZ PHE 646 6.517 3.999 -5.660 189 H TRP 647 H TRP 647 3.197 -1.102 -0.571 190 HA TRP 647 HA TRP 647 2.906 0.059 1.981 191 HB2 TRP 647 HB2 TRP 647 1.071 -0.486 0.295 192 HB3 TRP 647 HB3 TRP 647 1.286 -2.171 0.718 193 HD1 TRP 647 HD1 TRP 647 -0.808 0.645 1.505 194 HE1 TRP 647 HE1 TRP 647 -2.105 0.340 3.697 195 HE3 TRP 647 HE3 TRP 647 1.788 -3.312 3.490 196 HZ2 TRP 647 HZ2 TRP 647 -2.051 -1.328 5.964 197 HZ3 TRP 647 HZ3 TRP 647 1.083 -4.185 5.678 198 HH2 TRP 647 HH2 TRP 647 -0.794 -3.214 6.885 199 H GLY 648 H GLY 648 3.933 -3.109 0.816 200 HA2 GLY 648 HA2 GLY 648 4.004 -4.252 3.454 201 HA3 GLY 648 HA3 GLY 648 4.524 -5.019 1.984 202 H GLN 649 H GLN 649 6.564 -2.742 1.415 203 HA GLN 649 HA GLN 649 8.884 -3.762 2.062 204 HB2 GLN 649 HB2 GLN 649 8.108 -1.186 1.482 205 HB3 GLN 649 HB3 GLN 649 8.986 -0.995 2.993 206 HG2 GLN 649 HG2 GLN 649 10.153 -2.524 0.693 207 HG3 GLN 649 HG3 GLN 649 10.291 -0.774 0.803 208 HE21 GLN 649 HE21 GLN 649 11.245 -3.818 2.169 209 HE22 GLN 649 HE22 GLN 649 12.530 -3.210 3.150 210 H ASP 650 H ASP 650 8.153 -1.316 4.576 211 HA ASP 650 HA ASP 650 8.346 -3.230 6.744 212 HB2 ASP 650 HB2 ASP 650 10.567 -1.246 6.208 213 HB3 ASP 650 HB3 ASP 650 10.255 -1.857 7.829 214 H HIS 651 H HIS 651 9.371 0.066 7.247 215 HA HIS 651 HA HIS 651 7.242 0.784 8.956 216 HB2 HIS 651 HB2 HIS 651 8.127 3.144 8.675 217 HB3 HIS 651 HB3 HIS 651 9.315 1.966 9.211 218 HD1 HIS 651 HD1 HIS 651 11.339 1.583 7.720 219 HD2 HIS 651 HD2 HIS 651 8.492 4.075 6.001 220 HE1 HIS 651 HE1 HIS 651 12.446 2.568 5.687 221 HE2 HIS 651 HE2 HIS 651 10.704 4.073 4.661 222 H LYS 652 H LYS 652 7.895 1.156 5.643 223 HA LYS 652 HA LYS 652 6.187 2.945 4.577 224 HB2 LYS 652 HB2 LYS 652 7.345 0.409 3.548 225 HB3 LYS 652 HB3 LYS 652 6.228 1.328 2.550 226 HG2 LYS 652 HG2 LYS 652 7.704 3.317 2.862 227 HG3 LYS 652 HG3 LYS 652 8.863 2.257 3.667 228 HD2 LYS 652 HD2 LYS 652 9.081 0.921 1.665 229 HD3 LYS 652 HD3 LYS 652 7.834 1.870 0.857 230 HE2 LYS 652 HE2 LYS 652 9.899 2.684 0.048 231 HE3 LYS 652 HE3 LYS 652 9.323 3.883 1.205 232 HZ1 LYS 652 HZ1 LYS 652 11.358 1.789 1.757 233 HZ2 LYS 652 HZ2 LYS 652 10.810 2.945 2.863 234 HZ3 LYS 652 HZ3 LYS 652 11.677 3.430 1.495 235 H VAL 653 H VAL 653 5.202 -0.176 5.813 236 HA VAL 653 HA VAL 653 3.078 -0.952 4.282 237 HB VAL 653 HB VAL 653 2.014 -1.808 6.476 238 HG11 VAL 653 HG11 VAL 653 3.992 -3.390 6.913 239 HG12 VAL 653 HG12 VAL 653 4.772 -2.544 5.576 240 HG13 VAL 653 HG13 VAL 653 3.246 -3.389 5.317 241 HG21 VAL 653 HG21 VAL 653 4.422 -0.414 7.597 242 HG22 VAL 653 HG22 VAL 653 3.797 -1.872 8.367 243 HG23 VAL 653 HG23 VAL 653 2.767 -0.451 8.208 244 H ASP 654 H ASP 654 2.404 0.868 7.280 245 HA ASP 654 HA ASP 654 0.052 1.982 6.084 246 HB2 ASP 654 HB2 ASP 654 -0.238 3.196 8.255 247 HB3 ASP 654 HB3 ASP 654 -0.297 1.440 8.310 248 H PHE 655 H PHE 655 3.270 2.768 6.357 249 HA PHE 655 HA PHE 655 3.311 5.551 6.764 250 HB2 PHE 655 HB2 PHE 655 5.249 3.486 6.444 251 HB3 PHE 655 HB3 PHE 655 5.661 4.858 5.415 252 HD1 PHE 655 HD1 PHE 655 5.203 3.703 8.856 253 HD2 PHE 655 HD2 PHE 655 6.242 6.995 6.365 254 HE1 PHE 655 HE1 PHE 655 6.115 4.889 10.809 255 HE2 PHE 655 HE2 PHE 655 7.155 8.186 8.314 256 HZ PHE 655 HZ PHE 655 7.093 7.133 10.539 257 H ILE 656 H ILE 656 3.139 3.577 3.827 258 HA ILE 656 HA ILE 656 4.016 5.309 1.942 259 HB ILE 656 HB ILE 656 1.569 4.481 0.729 260 HG12 ILE 656 HG12 ILE 656 1.347 2.140 1.128 261 HG13 ILE 656 HG13 ILE 656 2.704 2.102 2.245 262 HG21 ILE 656 HG21 ILE 656 4.081 2.791 0.715 263 HG22 ILE 656 HG22 ILE 656 4.081 4.389 -0.014 264 HG23 ILE 656 HG23 ILE 656 2.982 3.148 -0.610 265 HD11 ILE 656 HD11 ILE 656 -0.091 2.735 2.667 266 HD12 ILE 656 HD12 ILE 656 1.019 3.864 3.442 267 HD13 ILE 656 HD13 ILE 656 1.120 2.141 3.797 268 H LEU 657 H LEU 657 0.577 5.487 3.147 269 HA LEU 657 HA LEU 657 0.194 7.957 1.756 270 HB2 LEU 657 HB2 LEU 657 -1.660 6.494 2.094 271 HB3 LEU 657 HB3 LEU 657 -1.468 6.572 3.842 272 HG LEU 657 HG LEU 657 -2.062 9.132 2.416 273 HD11 LEU 657 HD11 LEU 657 -3.623 7.555 1.386 274 HD12 LEU 657 HD12 LEU 657 -4.456 8.683 2.455 275 HD13 LEU 657 HD13 LEU 657 -4.147 7.030 2.986 276 HD21 LEU 657 HD21 LEU 657 -2.985 7.942 5.032 277 HD22 LEU 657 HD22 LEU 657 -3.358 9.564 4.448 278 HD23 LEU 657 HD23 LEU 657 -1.693 9.125 4.830 279 H GLN 658 H GLN 658 0.904 7.206 5.151 280 HA GLN 658 HA GLN 658 0.486 9.761 6.224 281 HB2 GLN 658 HB2 GLN 658 2.243 7.489 7.110 282 HB3 GLN 658 HB3 GLN 658 2.106 8.978 8.030 283 HG2 GLN 658 HG2 GLN 658 -0.308 8.611 8.245 284 HG3 GLN 658 HG3 GLN 658 -0.148 7.102 7.347 285 HE21 GLN 658 HE21 GLN 658 0.491 8.743 10.341 286 HE22 GLN 658 HE22 GLN 658 0.879 7.337 11.266 287 H ARG 659 H ARG 659 1.399 11.599 5.795 288 HA ARG 659 HA ARG 659 2.820 13.234 5.116 289 HB2 ARG 659 HB2 ARG 659 3.683 12.324 7.435 290 HB3 ARG 659 HB3 ARG 659 5.080 11.835 6.488 291 HG2 ARG 659 HG2 ARG 659 5.396 14.156 5.765 292 HG3 ARG 659 HG3 ARG 659 4.004 14.639 6.737 293 HD2 ARG 659 HD2 ARG 659 5.146 13.857 8.755 294 HD3 ARG 659 HD3 ARG 659 6.533 13.370 7.783 295 HE ARG 659 HE ARG 659 5.972 16.100 7.346 296 HH11 ARG 659 HH11 ARG 659 7.309 13.993 9.817 297 HH12 ARG 659 HH12 ARG 659 8.301 15.235 10.504 298 HH21 ARG 659 HH21 ARG 659 7.283 17.711 8.256 299 HH22 ARG 659 HH22 ARG 659 8.285 17.340 9.620 300 H GLU 660 H GLU 660 2.552 11.307 3.095 301 HA GLU 660 HA GLU 660 5.084 11.685 1.690 302 HB2 GLU 660 HB2 GLU 660 3.821 9.032 2.285 303 HB3 GLU 660 HB3 GLU 660 4.762 9.242 0.819 304 HG2 GLU 660 HG2 GLU 660 6.680 9.972 2.178 305 HG3 GLU 660 HG3 GLU 660 5.729 9.688 3.633 306 HA PRO 661 HA PRO 661 2.937 12.799 -2.065 307 HB2 PRO 661 HB2 PRO 661 4.054 10.288 -3.269 308 HB3 PRO 661 HB3 PRO 661 3.977 11.921 -3.951 309 HG2 PRO 661 HG2 PRO 661 6.242 11.077 -2.936 310 HG3 PRO 661 HG3 PRO 661 5.679 12.725 -2.587 311 HD2 PRO 661 HD2 PRO 661 5.705 10.332 -0.824 312 HD3 PRO 661 HD3 PRO 661 5.926 12.042 -0.411 313 H TYR 662 H TYR 662 1.341 12.175 -3.679 314 HA TYR 662 HA TYR 662 -0.916 10.958 -2.611 315 HB2 TYR 662 HB2 TYR 662 -0.203 11.646 -5.454 316 HB3 TYR 662 HB3 TYR 662 -1.792 11.052 -4.985 317 HD1 TYR 662 HD1 TYR 662 -3.307 12.445 -3.684 318 HD2 TYR 662 HD2 TYR 662 0.527 13.881 -4.842 319 HE1 TYR 662 HE1 TYR 662 -4.003 14.736 -3.125 320 HE2 TYR 662 HE2 TYR 662 -0.158 16.176 -4.284 321 HH TYR 662 HH TYR 662 -2.230 17.476 -4.054 322 H CYS 663 H CYS 663 1.451 9.593 -4.882 323 HA CYS 663 HA CYS 663 0.163 7.259 -5.637 324 HB2 CYS 663 HB2 CYS 663 3.114 7.702 -5.171 325 HB3 CYS 663 HB3 CYS 663 2.429 6.341 -6.049 326 HG CYS 663 HG CYS 663 3.229 9.309 -7.162 327 H ARG 664 H ARG 664 2.010 7.890 -2.703 328 HA ARG 664 HA ARG 664 2.009 5.190 -1.805 329 HB2 ARG 664 HB2 ARG 664 2.841 7.759 -0.442 330 HB3 ARG 664 HB3 ARG 664 3.047 6.152 0.267 331 HG2 ARG 664 HG2 ARG 664 4.424 5.567 -1.782 332 HG3 ARG 664 HG3 ARG 664 4.358 7.268 -2.227 333 HD2 ARG 664 HD2 ARG 664 5.767 7.905 -0.552 334 HD3 ARG 664 HD3 ARG 664 5.270 6.596 0.519 335 HE ARG 664 HE ARG 664 6.577 5.138 -1.112 336 HH11 ARG 664 HH11 ARG 664 7.465 8.468 -0.427 337 HH12 ARG 664 HH12 ARG 664 9.141 8.213 -0.782 338 HH21 ARG 664 HH21 ARG 664 8.776 4.828 -1.563 339 HH22 ARG 664 HH22 ARG 664 9.881 6.155 -1.424 340 H ASP 665 H ASP 665 0.296 8.146 -1.264 341 HA ASP 665 HA ASP 665 -1.394 7.602 0.819 342 HB2 ASP 665 HB2 ASP 665 -1.673 9.262 -1.630 343 HB3 ASP 665 HB3 ASP 665 -3.078 9.029 -0.599 344 H ILE 666 H ILE 666 -1.440 6.215 -2.337 345 HA ILE 666 HA ILE 666 -4.245 5.500 -2.356 346 HB ILE 666 HB ILE 666 -2.149 4.618 -4.362 347 HG12 ILE 666 HG12 ILE 666 -4.012 6.954 -4.801 348 HG13 ILE 666 HG13 ILE 666 -2.429 7.189 -4.074 349 HG21 ILE 666 HG21 ILE 666 -4.188 3.320 -4.436 350 HG22 ILE 666 HG22 ILE 666 -4.135 4.376 -5.847 351 HG23 ILE 666 HG23 ILE 666 -5.167 4.786 -4.478 352 HD11 ILE 666 HD11 ILE 666 -3.138 6.407 -6.861 353 HD12 ILE 666 HD12 ILE 666 -1.578 5.934 -6.194 354 HD13 ILE 666 HD13 ILE 666 -2.015 7.640 -6.289 355 H ASN 667 H ASN 667 -1.029 4.250 -2.017 356 HA ASN 667 HA ASN 667 -1.513 1.557 -1.804 357 HB2 ASN 667 HB2 ASN 667 0.573 3.385 -0.738 358 HB3 ASN 667 HB3 ASN 667 0.595 1.698 -0.302 359 HD21 ASN 667 HD21 ASN 667 0.971 3.993 -2.850 360 HD22 ASN 667 HD22 ASN 667 1.685 2.917 -3.997 361 H GLN 668 H GLN 668 -1.120 3.710 1.108 362 HA GLN 668 HA GLN 668 -2.099 1.851 3.011 363 HB2 GLN 668 HB2 GLN 668 -1.144 4.393 3.138 364 HB3 GLN 668 HB3 GLN 668 -2.855 4.669 3.421 365 HG2 GLN 668 HG2 GLN 668 -2.075 2.580 5.128 366 HG3 GLN 668 HG3 GLN 668 -0.834 3.815 5.233 367 HE21 GLN 668 HE21 GLN 668 -4.194 3.086 5.765 368 HE22 GLN 668 HE22 GLN 668 -4.544 4.472 6.731 369 H LEU 669 H LEU 669 -3.588 4.301 1.078 370 HA LEU 669 HA LEU 669 -6.212 4.309 1.878 371 HB2 LEU 669 HB2 LEU 669 -4.603 5.404 -0.074 372 HB3 LEU 669 HB3 LEU 669 -5.731 4.431 -1.013 373 HG LEU 669 HG LEU 669 -6.809 6.352 1.029 374 HD11 LEU 669 HD11 LEU 669 -5.982 7.059 -1.782 375 HD12 LEU 669 HD12 LEU 669 -5.237 7.654 -0.299 376 HD13 LEU 669 HD13 LEU 669 -6.901 8.091 -0.686 377 HD21 LEU 669 HD21 LEU 669 -8.342 4.761 -0.033 378 HD22 LEU 669 HD22 LEU 669 -7.859 5.356 -1.622 379 HD23 LEU 669 HD23 LEU 669 -8.709 6.421 -0.502 380 H SER 670 H SER 670 -4.745 2.414 -0.773 381 HA SER 670 HA SER 670 -7.072 0.832 -1.221 382 HB2 SER 670 HB2 SER 670 -4.213 0.364 -2.064 383 HB3 SER 670 HB3 SER 670 -5.594 -0.554 -2.658 384 HG SER 670 HG SER 670 -5.373 1.017 -4.131 385 H GLU 671 H GLU 671 -3.870 -0.287 0.141 386 HA GLU 671 HA GLU 671 -5.141 -2.701 1.036 387 HB2 GLU 671 HB2 GLU 671 -2.614 -2.283 0.387 388 HB3 GLU 671 HB3 GLU 671 -2.466 -1.978 2.112 389 HG2 GLU 671 HG2 GLU 671 -3.762 -4.475 1.059 390 HG3 GLU 671 HG3 GLU 671 -2.022 -4.352 1.281 391 H ALA 672 H ALA 672 -3.423 -0.147 3.022 392 HA ALA 672 HA ALA 672 -4.302 -1.133 5.469 393 HB1 ALA 672 HB1 ALA 672 -3.864 1.028 6.414 394 HB2 ALA 672 HB2 ALA 672 -3.917 1.754 4.807 395 HB3 ALA 672 HB3 ALA 672 -2.643 0.606 5.215 396 H LEU 673 H LEU 673 -6.236 1.163 3.426 397 HA LEU 673 HA LEU 673 -8.187 1.531 5.503 398 HB2 LEU 673 HB2 LEU 673 -7.610 3.046 3.457 399 HB3 LEU 673 HB3 LEU 673 -8.798 2.061 2.629 400 HG LEU 673 HG LEU 673 -10.303 2.714 4.710 401 HD11 LEU 673 HD11 LEU 673 -9.865 5.001 5.454 402 HD12 LEU 673 HD12 LEU 673 -8.353 5.008 4.546 403 HD13 LEU 673 HD13 LEU 673 -8.556 3.911 5.912 404 HD21 LEU 673 HD21 LEU 673 -9.707 4.563 2.404 405 HD22 LEU 673 HD22 LEU 673 -11.157 4.606 3.407 406 HD23 LEU 673 HD23 LEU 673 -10.830 3.203 2.390 407 H LEU 674 H LEU 674 -8.063 -0.534 2.604 408 HA LEU 674 HA LEU 674 -10.721 -1.505 2.817 409 HB2 LEU 674 HB2 LEU 674 -9.017 -1.583 0.835 410 HB3 LEU 674 HB3 LEU 674 -8.530 -3.105 1.552 411 HG LEU 674 HG LEU 674 -11.434 -2.715 1.001 412 HD11 LEU 674 HD11 LEU 674 -11.138 -3.441 -1.320 413 HD12 LEU 674 HD12 LEU 674 -9.390 -3.299 -1.136 414 HD13 LEU 674 HD13 LEU 674 -10.408 -1.862 -1.029 415 HD21 LEU 674 HD21 LEU 674 -9.547 -5.054 0.717 416 HD22 LEU 674 HD22 LEU 674 -11.295 -5.101 0.482 417 HD23 LEU 674 HD23 LEU 674 -10.629 -4.756 2.078 418 H SER 675 H SER 675 -7.628 -2.747 4.015 419 HA SER 675 HA SER 675 -8.662 -5.203 5.032 420 HB2 SER 675 HB2 SER 675 -6.270 -4.800 4.395 421 HB3 SER 675 HB3 SER 675 -6.105 -3.806 5.841 422 HG SER 675 HG SER 675 -6.882 -6.538 5.813 423 H LEU 676 H LEU 676 -7.961 -2.051 6.513 424 HA LEU 676 HA LEU 676 -8.501 -2.866 9.194 425 HB2 LEU 676 HB2 LEU 676 -7.117 -0.859 8.317 426 HB3 LEU 676 HB3 LEU 676 -8.655 -0.027 8.233 427 HG LEU 676 HG LEU 676 -8.833 -0.805 10.761 428 HD11 LEU 676 HD11 LEU 676 -5.857 -0.681 10.288 429 HD12 LEU 676 HD12 LEU 676 -6.780 -2.100 10.785 430 HD13 LEU 676 HD13 LEU 676 -6.643 -0.713 11.866 431 HD21 LEU 676 HD21 LEU 676 -7.150 1.509 9.809 432 HD22 LEU 676 HD22 LEU 676 -7.865 1.352 11.414 433 HD23 LEU 676 HD23 LEU 676 -8.904 1.498 9.997 434 H ASN 677 H ASN 677 -10.443 -1.179 6.727 435 HA ASN 677 HA ASN 677 -12.687 -0.744 8.439 436 HB2 ASN 677 HB2 ASN 677 -12.191 -0.441 5.503 437 HB3 ASN 677 HB3 ASN 677 -13.840 -0.365 6.116 438 HD21 ASN 677 HD21 ASN 677 -10.709 1.151 6.107 439 HD22 ASN 677 HD22 ASN 677 -11.218 2.664 6.767 440 H PHE 678 H PHE 678 -12.171 -3.028 5.726 441 HA PHE 678 HA PHE 678 -14.616 -4.432 6.188 442 HB2 PHE 678 HB2 PHE 678 -12.209 -4.994 4.467 443 HB3 PHE 678 HB3 PHE 678 -13.544 -6.133 4.593 444 HD1 PHE 678 HD1 PHE 678 -12.494 -2.855 3.357 445 HD2 PHE 678 HD2 PHE 678 -15.692 -5.649 3.611 446 HE1 PHE 678 HE1 PHE 678 -13.709 -1.615 1.614 447 HE2 PHE 678 HE2 PHE 678 -16.914 -4.415 1.868 448 HZ PHE 678 HZ PHE 678 -15.922 -2.396 0.866 Start of MODEL 8 1 H1 GLY 627 H1 GLY 627 -6.910 10.833 -11.859 2 H2 GLY 627 H2 GLY 627 -7.441 10.084 -13.280 3 H3 GLY 627 H3 GLY 627 -5.943 10.868 -13.247 4 HA2 GLY 627 HA2 GLY 627 -5.635 8.482 -13.148 5 HA3 GLY 627 HA3 GLY 627 -5.084 9.261 -11.673 6 H GLY 628 H GLY 628 -5.320 7.448 -10.394 7 HA2 GLY 628 HA2 GLY 628 -7.412 7.047 -8.803 8 HA3 GLY 628 HA3 GLY 628 -7.921 6.141 -10.220 9 H ILE 629 H ILE 629 -6.357 4.484 -11.015 10 HA ILE 629 HA ILE 629 -4.810 3.289 -8.817 11 HB ILE 629 HB ILE 629 -5.497 1.011 -9.792 12 HG12 ILE 629 HG12 ILE 629 -8.074 1.349 -10.536 13 HG13 ILE 629 HG13 ILE 629 -7.379 2.810 -11.229 14 HG21 ILE 629 HG21 ILE 629 -6.155 1.682 -7.603 15 HG22 ILE 629 HG22 ILE 629 -7.558 0.972 -8.401 16 HG23 ILE 629 HG23 ILE 629 -7.425 2.724 -8.244 17 HD11 ILE 629 HD11 ILE 629 -7.443 1.004 -12.848 18 HD12 ILE 629 HD12 ILE 629 -6.471 -0.006 -11.777 19 HD13 ILE 629 HD13 ILE 629 -5.780 1.458 -12.477 20 H ARG 630 H ARG 630 -2.785 2.799 -9.300 21 HA ARG 630 HA ARG 630 -2.042 2.234 -12.081 22 HB2 ARG 630 HB2 ARG 630 -0.784 4.323 -10.307 23 HB3 ARG 630 HB3 ARG 630 0.069 3.627 -11.679 24 HG2 ARG 630 HG2 ARG 630 -1.754 4.400 -13.158 25 HG3 ARG 630 HG3 ARG 630 -2.513 5.175 -11.766 26 HD2 ARG 630 HD2 ARG 630 -0.540 6.576 -11.460 27 HD3 ARG 630 HD3 ARG 630 0.243 5.786 -12.828 28 HE ARG 630 HE ARG 630 -2.291 6.960 -13.492 29 HH11 ARG 630 HH11 ARG 630 1.139 7.641 -13.161 30 HH12 ARG 630 HH12 ARG 630 1.090 8.997 -14.238 31 HH21 ARG 630 HH21 ARG 630 -2.330 8.737 -14.900 32 HH22 ARG 630 HH22 ARG 630 -0.873 9.615 -15.221 33 H LYS 631 H LYS 631 -0.906 2.295 -8.698 34 HA LYS 631 HA LYS 631 0.628 -0.153 -9.267 35 HB2 LYS 631 HB2 LYS 631 1.247 2.160 -7.447 36 HB3 LYS 631 HB3 LYS 631 1.970 0.581 -7.174 37 HG2 LYS 631 HG2 LYS 631 2.845 0.664 -9.511 38 HG3 LYS 631 HG3 LYS 631 2.261 2.326 -9.608 39 HD2 LYS 631 HD2 LYS 631 3.696 2.961 -7.751 40 HD3 LYS 631 HD3 LYS 631 4.241 1.291 -7.578 41 HE2 LYS 631 HE2 LYS 631 5.162 1.392 -9.866 42 HE3 LYS 631 HE3 LYS 631 4.679 3.084 -9.964 43 HZ1 LYS 631 HZ1 LYS 631 6.607 1.948 -8.010 44 HZ2 LYS 631 HZ2 LYS 631 6.146 3.572 -8.106 45 HZ3 LYS 631 HZ3 LYS 631 7.009 2.862 -9.376 46 H THR 632 H THR 632 -1.540 -1.079 -8.913 47 HA THR 632 HA THR 632 -2.718 -1.179 -6.316 48 HB THR 632 HB THR 632 -4.015 -3.135 -7.294 49 HG1 THR 632 HG1 THR 632 -3.180 -3.928 -9.063 50 HG21 THR 632 HG21 THR 632 -4.052 -0.496 -8.763 51 HG22 THR 632 HG22 THR 632 -4.924 -0.877 -7.278 52 HG23 THR 632 HG23 THR 632 -5.347 -1.692 -8.783 53 H ARG 633 H ARG 633 -0.556 -3.312 -8.104 54 HA ARG 633 HA ARG 633 -0.659 -5.595 -6.529 55 HB2 ARG 633 HB2 ARG 633 1.575 -4.468 -8.206 56 HB3 ARG 633 HB3 ARG 633 1.662 -6.045 -7.437 57 HG2 ARG 633 HG2 ARG 633 0.909 -6.690 -9.481 58 HG3 ARG 633 HG3 ARG 633 -0.647 -6.373 -8.716 59 HD2 ARG 633 HD2 ARG 633 -0.723 -5.336 -10.842 60 HD3 ARG 633 HD3 ARG 633 -0.509 -4.041 -9.667 61 HE ARG 633 HE ARG 633 2.024 -4.790 -10.529 62 HH11 ARG 633 HH11 ARG 633 -0.848 -3.354 -11.952 63 HH12 ARG 633 HH12 ARG 633 0.043 -2.484 -13.155 64 HH21 ARG 633 HH21 ARG 633 3.170 -3.642 -12.112 65 HH22 ARG 633 HH22 ARG 633 2.316 -2.647 -13.244 66 H GLU 634 H GLU 634 1.437 -2.726 -6.014 67 HA GLU 634 HA GLU 634 3.007 -3.977 -4.029 68 HB2 GLU 634 HB2 GLU 634 2.752 -1.102 -4.926 69 HB3 GLU 634 HB3 GLU 634 3.870 -1.637 -3.680 70 HG2 GLU 634 HG2 GLU 634 5.212 -1.572 -5.561 71 HG3 GLU 634 HG3 GLU 634 4.740 -3.267 -5.496 72 H THR 635 H THR 635 0.233 -1.768 -4.087 73 HA THR 635 HA THR 635 0.327 -1.252 -1.291 74 HB THR 635 HB THR 635 -0.678 0.397 -2.624 75 HG1 THR 635 HG1 THR 635 -2.394 0.728 -1.411 76 HG21 THR 635 HG21 THR 635 -1.318 -1.291 -4.485 77 HG22 THR 635 HG22 THR 635 -2.274 0.174 -4.284 78 HG23 THR 635 HG23 THR 635 -2.870 -1.360 -3.651 79 H GLU 636 H GLU 636 -2.322 -2.913 -3.034 80 HA GLU 636 HA GLU 636 -3.189 -4.096 -0.595 81 HB2 GLU 636 HB2 GLU 636 -5.069 -5.005 -1.884 82 HB3 GLU 636 HB3 GLU 636 -4.872 -3.257 -1.983 83 HG2 GLU 636 HG2 GLU 636 -5.123 -3.529 -4.197 84 HG3 GLU 636 HG3 GLU 636 -3.480 -4.170 -4.190 85 H ARG 637 H ARG 637 -1.543 -5.392 -3.460 86 HA ARG 637 HA ARG 637 -1.807 -8.108 -2.591 87 HB2 ARG 637 HB2 ARG 637 -0.063 -6.824 -4.677 88 HB3 ARG 637 HB3 ARG 637 0.041 -8.534 -4.291 89 HG2 ARG 637 HG2 ARG 637 -2.435 -8.663 -4.802 90 HG3 ARG 637 HG3 ARG 637 -2.278 -7.038 -5.473 91 HD2 ARG 637 HD2 ARG 637 -0.499 -7.890 -6.979 92 HD3 ARG 637 HD3 ARG 637 -0.804 -9.513 -6.363 93 HE ARG 637 HE ARG 637 -3.220 -8.429 -7.289 94 HH11 ARG 637 HH11 ARG 637 -0.172 -9.592 -8.589 95 HH12 ARG 637 HH12 ARG 637 -0.865 -10.058 -10.106 96 HH21 ARG 637 HH21 ARG 637 -4.105 -9.047 -9.284 97 HH22 ARG 637 HH22 ARG 637 -3.089 -9.750 -10.497 98 H LEU 638 H LEU 638 0.727 -5.616 -2.225 99 HA LEU 638 HA LEU 638 2.821 -7.155 -1.277 100 HB2 LEU 638 HB2 LEU 638 3.769 -5.153 -1.133 101 HB3 LEU 638 HB3 LEU 638 2.228 -4.445 -1.523 102 HG LEU 638 HG LEU 638 2.896 -4.975 1.362 103 HD11 LEU 638 HD11 LEU 638 3.799 -2.605 -0.233 104 HD12 LEU 638 HD12 LEU 638 4.840 -3.870 0.419 105 HD13 LEU 638 HD13 LEU 638 3.948 -2.817 1.508 106 HD21 LEU 638 HD21 LEU 638 0.634 -4.128 0.818 107 HD22 LEU 638 HD22 LEU 638 1.362 -2.730 0.045 108 HD23 LEU 638 HD23 LEU 638 1.561 -2.976 1.784 109 H ARG 639 H ARG 639 0.537 -5.399 0.752 110 HA ARG 639 HA ARG 639 1.358 -6.720 3.136 111 HB2 ARG 639 HB2 ARG 639 0.458 -4.457 3.125 112 HB3 ARG 639 HB3 ARG 639 -1.115 -5.081 2.635 113 HG2 ARG 639 HG2 ARG 639 -0.057 -6.304 5.085 114 HG3 ARG 639 HG3 ARG 639 -0.383 -4.577 5.209 115 HD2 ARG 639 HD2 ARG 639 -2.666 -4.953 4.408 116 HD3 ARG 639 HD3 ARG 639 -2.335 -6.679 4.276 117 HE ARG 639 HE ARG 639 -1.793 -5.812 6.901 118 HH11 ARG 639 HH11 ARG 639 -4.538 -6.418 4.796 119 HH12 ARG 639 HH12 ARG 639 -5.611 -6.775 6.108 120 HH21 ARG 639 HH21 ARG 639 -3.215 -6.283 8.601 121 HH22 ARG 639 HH22 ARG 639 -4.861 -6.698 8.260 122 H ARG 640 H ARG 640 -1.441 -7.311 1.006 123 HA ARG 640 HA ARG 640 -2.740 -9.212 2.633 124 HB2 ARG 640 HB2 ARG 640 -3.445 -8.032 0.363 125 HB3 ARG 640 HB3 ARG 640 -2.820 -9.519 -0.335 126 HG2 ARG 640 HG2 ARG 640 -4.379 -10.820 1.024 127 HG3 ARG 640 HG3 ARG 640 -4.999 -9.332 1.740 128 HD2 ARG 640 HD2 ARG 640 -5.036 -9.848 -1.224 129 HD3 ARG 640 HD3 ARG 640 -6.353 -10.338 -0.160 130 HE ARG 640 HE ARG 640 -5.801 -7.617 0.265 131 HH11 ARG 640 HH11 ARG 640 -7.186 -9.683 -2.215 132 HH12 ARG 640 HH12 ARG 640 -8.198 -8.431 -2.854 133 HH21 ARG 640 HH21 ARG 640 -7.135 -5.995 -0.587 134 HH22 ARG 640 HH22 ARG 640 -8.168 -6.344 -1.932 135 H GLN 641 H GLN 641 -0.217 -9.585 0.176 136 HA GLN 641 HA GLN 641 -0.024 -12.455 0.657 137 HB2 GLN 641 HB2 GLN 641 1.130 -10.566 -1.373 138 HB3 GLN 641 HB3 GLN 641 1.868 -12.142 -1.132 139 HG2 GLN 641 HG2 GLN 641 0.406 -12.461 -2.910 140 HG3 GLN 641 HG3 GLN 641 -0.470 -13.099 -1.522 141 HE21 GLN 641 HE21 GLN 641 -2.267 -11.998 -0.748 142 HE22 GLN 641 HE22 GLN 641 -3.062 -10.768 -1.665 143 H LEU 642 H LEU 642 2.634 -13.012 0.406 144 HA LEU 642 HA LEU 642 3.660 -12.197 2.984 145 HB2 LEU 642 HB2 LEU 642 4.674 -14.140 0.916 146 HB3 LEU 642 HB3 LEU 642 5.502 -13.822 2.427 147 HG LEU 642 HG LEU 642 2.644 -14.683 2.533 148 HD11 LEU 642 HD11 LEU 642 3.337 -17.034 2.495 149 HD12 LEU 642 HD12 LEU 642 4.972 -16.539 2.056 150 HD13 LEU 642 HD13 LEU 642 3.632 -16.239 0.949 151 HD21 LEU 642 HD21 LEU 642 5.059 -15.236 4.258 152 HD22 LEU 642 HD22 LEU 642 3.410 -15.764 4.592 153 HD23 LEU 642 HD23 LEU 642 3.801 -14.044 4.587 154 H LEU 643 H LEU 643 4.015 -10.970 -0.149 155 HA LEU 643 HA LEU 643 6.717 -9.976 0.386 156 HB2 LEU 643 HB2 LEU 643 6.361 -9.039 -2.075 157 HB3 LEU 643 HB3 LEU 643 6.926 -10.659 -1.765 158 HG LEU 643 HG LEU 643 5.261 -10.429 -3.623 159 HD11 LEU 643 HD11 LEU 643 5.666 -12.580 -2.611 160 HD12 LEU 643 HD12 LEU 643 3.963 -12.412 -3.038 161 HD13 LEU 643 HD13 LEU 643 4.471 -12.244 -1.358 162 HD21 LEU 643 HD21 LEU 643 3.746 -8.791 -2.749 163 HD22 LEU 643 HD22 LEU 643 3.337 -9.830 -1.384 164 HD23 LEU 643 HD23 LEU 643 2.862 -10.294 -3.018 165 H GLU 644 H GLU 644 6.241 -8.473 1.944 166 HA GLU 644 HA GLU 644 4.416 -6.288 1.487 167 HB2 GLU 644 HB2 GLU 644 5.742 -7.513 3.684 168 HB3 GLU 644 HB3 GLU 644 6.198 -5.823 3.686 169 HG2 GLU 644 HG2 GLU 644 3.722 -5.304 3.523 170 HG3 GLU 644 HG3 GLU 644 3.454 -7.010 3.870 171 H VAL 645 H VAL 645 5.195 -5.272 -0.394 172 HA VAL 645 HA VAL 645 7.964 -4.606 -0.776 173 HB VAL 645 HB VAL 645 5.387 -4.081 -2.285 174 HG11 VAL 645 HG11 VAL 645 6.756 -3.397 -4.233 175 HG12 VAL 645 HG12 VAL 645 8.216 -3.447 -3.244 176 HG13 VAL 645 HG13 VAL 645 6.954 -2.266 -2.894 177 HG21 VAL 645 HG21 VAL 645 7.738 -5.930 -2.797 178 HG22 VAL 645 HG22 VAL 645 6.333 -5.742 -3.846 179 HG23 VAL 645 HG23 VAL 645 6.137 -6.388 -2.217 180 H PHE 646 H PHE 646 5.299 -2.117 -1.182 181 HA PHE 646 HA PHE 646 7.189 0.005 -0.608 182 HB2 PHE 646 HB2 PHE 646 4.578 -0.169 -1.910 183 HB3 PHE 646 HB3 PHE 646 4.687 1.208 -0.806 184 HD1 PHE 646 HD1 PHE 646 6.508 2.890 -1.136 185 HD2 PHE 646 HD2 PHE 646 5.687 -0.157 -3.982 186 HE1 PHE 646 HE1 PHE 646 7.734 4.165 -2.847 187 HE2 PHE 646 HE2 PHE 646 6.912 1.106 -5.701 188 HZ PHE 646 HZ PHE 646 7.939 3.272 -5.133 189 H TRP 647 H TRP 647 4.001 -0.745 0.452 190 HA TRP 647 HA TRP 647 3.913 0.711 2.801 191 HB2 TRP 647 HB2 TRP 647 1.811 0.087 2.041 192 HB3 TRP 647 HB3 TRP 647 2.381 -1.388 1.335 193 HD1 TRP 647 HD1 TRP 647 3.120 -3.106 3.849 194 HE1 TRP 647 HE1 TRP 647 1.376 -3.778 5.609 195 HE3 TRP 647 HE3 TRP 647 -0.463 0.424 2.864 196 HZ2 TRP 647 HZ2 TRP 647 -1.184 -2.954 6.455 197 HZ3 TRP 647 HZ3 TRP 647 -2.534 0.383 4.184 198 HH2 TRP 647 HH2 TRP 647 -2.887 -1.268 5.940 199 H GLY 648 H GLY 648 4.967 -2.538 2.017 200 HA2 GLY 648 HA2 GLY 648 5.317 -3.862 4.329 201 HA3 GLY 648 HA3 GLY 648 6.449 -3.952 2.994 202 H GLN 649 H GLN 649 8.332 -2.590 3.012 203 HA GLN 649 HA GLN 649 10.279 -2.412 4.387 204 HB2 GLN 649 HB2 GLN 649 8.771 -0.057 3.747 205 HB3 GLN 649 HB3 GLN 649 9.707 0.213 5.212 206 HG2 GLN 649 HG2 GLN 649 11.725 -0.550 4.010 207 HG3 GLN 649 HG3 GLN 649 10.759 -0.699 2.544 208 HE21 GLN 649 HE21 GLN 649 12.222 1.483 4.808 209 HE22 GLN 649 HE22 GLN 649 12.048 2.915 3.857 210 H ASP 650 H ASP 650 8.284 -0.294 6.463 211 HA ASP 650 HA ASP 650 8.114 -2.077 8.686 212 HB2 ASP 650 HB2 ASP 650 10.607 -1.308 8.637 213 HB3 ASP 650 HB3 ASP 650 9.988 0.234 9.215 214 H HIS 651 H HIS 651 8.746 1.409 8.812 215 HA HIS 651 HA HIS 651 6.293 2.055 10.137 216 HB2 HIS 651 HB2 HIS 651 8.456 3.782 8.909 217 HB3 HIS 651 HB3 HIS 651 7.064 4.439 9.763 218 HD1 HIS 651 HD1 HIS 651 7.188 4.521 12.275 219 HD2 HIS 651 HD2 HIS 651 10.255 2.281 10.588 220 HE1 HIS 651 HE1 HIS 651 8.766 4.010 14.166 221 HE2 HIS 651 HE2 HIS 651 10.615 2.653 13.122 222 H LYS 652 H LYS 652 7.542 2.186 6.972 223 HA LYS 652 HA LYS 652 6.010 3.802 5.465 224 HB2 LYS 652 HB2 LYS 652 7.569 1.357 4.980 225 HB3 LYS 652 HB3 LYS 652 6.453 1.820 3.705 226 HG2 LYS 652 HG2 LYS 652 8.464 2.830 3.102 227 HG3 LYS 652 HG3 LYS 652 7.540 4.136 3.840 228 HD2 LYS 652 HD2 LYS 652 8.765 3.694 5.976 229 HD3 LYS 652 HD3 LYS 652 9.768 2.536 5.101 230 HE2 LYS 652 HE2 LYS 652 10.507 4.314 3.594 231 HE3 LYS 652 HE3 LYS 652 9.498 5.471 4.459 232 HZ1 LYS 652 HZ1 LYS 652 11.802 5.595 5.172 233 HZ2 LYS 652 HZ2 LYS 652 11.778 3.964 5.621 234 HZ3 LYS 652 HZ3 LYS 652 10.814 5.081 6.446 235 H VAL 653 H VAL 653 4.862 0.707 6.709 236 HA VAL 653 HA VAL 653 3.142 -0.191 4.778 237 HB VAL 653 HB VAL 653 1.728 -1.186 6.603 238 HG11 VAL 653 HG11 VAL 653 3.828 -2.256 5.806 239 HG12 VAL 653 HG12 VAL 653 3.390 -2.675 7.460 240 HG13 VAL 653 HG13 VAL 653 4.671 -1.501 7.157 241 HG21 VAL 653 HG21 VAL 653 3.425 0.563 8.360 242 HG22 VAL 653 HG22 VAL 653 2.760 -0.954 8.964 243 HG23 VAL 653 HG23 VAL 653 1.678 0.315 8.393 244 H ASP 654 H ASP 654 1.799 1.741 7.479 245 HA ASP 654 HA ASP 654 -0.359 2.622 5.817 246 HB2 ASP 654 HB2 ASP 654 -1.052 3.997 7.807 247 HB3 ASP 654 HB3 ASP 654 -1.031 2.254 8.024 248 H PHE 655 H PHE 655 2.708 3.636 6.548 249 HA PHE 655 HA PHE 655 2.527 6.467 6.700 250 HB2 PHE 655 HB2 PHE 655 4.570 4.465 7.008 251 HB3 PHE 655 HB3 PHE 655 5.157 5.820 6.046 252 HD1 PHE 655 HD1 PHE 655 3.910 4.765 9.322 253 HD2 PHE 655 HD2 PHE 655 5.396 8.015 7.009 254 HE1 PHE 655 HE1 PHE 655 4.259 6.066 11.381 255 HE2 PHE 655 HE2 PHE 655 5.748 9.321 9.065 256 HZ PHE 655 HZ PHE 655 5.180 8.346 11.254 257 H ILE 656 H ILE 656 3.170 4.190 4.099 258 HA ILE 656 HA ILE 656 4.428 5.667 2.234 259 HB ILE 656 HB ILE 656 2.555 4.463 0.603 260 HG12 ILE 656 HG12 ILE 656 1.884 2.365 1.454 261 HG13 ILE 656 HG13 ILE 656 2.750 2.586 2.970 262 HG21 ILE 656 HG21 ILE 656 5.052 3.440 1.980 263 HG22 ILE 656 HG22 ILE 656 4.852 3.935 0.305 264 HG23 ILE 656 HG23 ILE 656 4.170 2.412 0.861 265 HD11 ILE 656 HD11 ILE 656 0.369 4.136 2.040 266 HD12 ILE 656 HD12 ILE 656 1.187 4.327 3.591 267 HD13 ILE 656 HD13 ILE 656 0.353 2.818 3.211 268 H LEU 657 H LEU 657 0.798 5.721 2.448 269 HA LEU 657 HA LEU 657 0.702 7.766 0.476 270 HB2 LEU 657 HB2 LEU 657 -1.290 6.838 0.222 271 HB3 LEU 657 HB3 LEU 657 -1.182 6.035 1.743 272 HG LEU 657 HG LEU 657 -2.058 8.918 1.624 273 HD11 LEU 657 HD11 LEU 657 -4.388 8.161 1.485 274 HD12 LEU 657 HD12 LEU 657 -3.818 6.520 1.184 275 HD13 LEU 657 HD13 LEU 657 -3.464 7.802 0.028 276 HD21 LEU 657 HD21 LEU 657 -3.461 7.227 3.490 277 HD22 LEU 657 HD22 LEU 657 -2.516 8.684 3.785 278 HD23 LEU 657 HD23 LEU 657 -1.716 7.115 3.730 279 H GLN 658 H GLN 658 0.450 7.842 3.989 280 HA GLN 658 HA GLN 658 -0.564 10.102 4.813 281 HB2 GLN 658 HB2 GLN 658 2.123 8.994 5.541 282 HB3 GLN 658 HB3 GLN 658 1.501 10.435 6.334 283 HG2 GLN 658 HG2 GLN 658 -0.529 9.126 6.955 284 HG3 GLN 658 HG3 GLN 658 0.269 7.691 6.313 285 HE21 GLN 658 HE21 GLN 658 0.255 10.081 8.838 286 HE22 GLN 658 HE22 GLN 658 1.311 9.242 9.917 287 H ARG 659 H ARG 659 2.832 10.335 3.612 288 HA ARG 659 HA ARG 659 2.231 12.901 2.381 289 HB2 ARG 659 HB2 ARG 659 4.101 12.616 4.728 290 HB3 ARG 659 HB3 ARG 659 4.324 13.897 3.546 291 HG2 ARG 659 HG2 ARG 659 2.116 14.774 4.040 292 HG3 ARG 659 HG3 ARG 659 1.828 13.454 5.175 293 HD2 ARG 659 HD2 ARG 659 2.450 15.310 6.492 294 HD3 ARG 659 HD3 ARG 659 3.869 14.266 6.431 295 HE ARG 659 HE ARG 659 3.939 16.236 4.377 296 HH11 ARG 659 HH11 ARG 659 4.515 15.821 7.817 297 HH12 ARG 659 HH12 ARG 659 5.641 17.135 7.903 298 HH21 ARG 659 HH21 ARG 659 5.415 17.951 4.514 299 HH22 ARG 659 HH22 ARG 659 6.150 18.338 6.034 300 H GLU 660 H GLU 660 2.665 11.071 0.729 301 HA GLU 660 HA GLU 660 5.359 11.442 -0.297 302 HB2 GLU 660 HB2 GLU 660 4.308 8.804 0.661 303 HB3 GLU 660 HB3 GLU 660 5.405 8.845 -0.709 304 HG2 GLU 660 HG2 GLU 660 6.142 10.290 1.791 305 HG3 GLU 660 HG3 GLU 660 6.314 8.539 1.729 306 HA PRO 661 HA PRO 661 3.725 11.423 -4.467 307 HB2 PRO 661 HB2 PRO 661 5.033 9.152 -5.548 308 HB3 PRO 661 HB3 PRO 661 5.572 10.833 -5.629 309 HG2 PRO 661 HG2 PRO 661 6.364 8.695 -3.718 310 HG3 PRO 661 HG3 PRO 661 7.337 10.009 -4.412 311 HD2 PRO 661 HD2 PRO 661 6.536 10.177 -1.911 312 HD3 PRO 661 HD3 PRO 661 6.442 11.605 -2.961 313 H TYR 662 H TYR 662 2.815 9.928 -6.253 314 HA TYR 662 HA TYR 662 0.400 8.868 -5.450 315 HB2 TYR 662 HB2 TYR 662 1.971 8.453 -7.981 316 HB3 TYR 662 HB3 TYR 662 0.332 7.849 -7.765 317 HD1 TYR 662 HD1 TYR 662 -1.558 9.380 -7.683 318 HD2 TYR 662 HD2 TYR 662 2.406 10.832 -8.210 319 HE1 TYR 662 HE1 TYR 662 -2.456 11.558 -8.388 320 HE2 TYR 662 HE2 TYR 662 1.519 13.014 -8.916 321 HH TYR 662 HH TYR 662 -0.545 13.943 -9.865 322 H CYS 663 H CYS 663 3.389 7.044 -6.122 323 HA CYS 663 HA CYS 663 2.330 4.453 -6.089 324 HB2 CYS 663 HB2 CYS 663 5.080 5.307 -5.166 325 HB3 CYS 663 HB3 CYS 663 4.608 3.689 -5.676 326 HG CYS 663 HG CYS 663 3.784 5.090 -8.263 327 H ARG 664 H ARG 664 3.636 6.357 -3.389 328 HA ARG 664 HA ARG 664 3.145 4.316 -1.461 329 HB2 ARG 664 HB2 ARG 664 3.816 7.228 -0.965 330 HB3 ARG 664 HB3 ARG 664 3.950 5.914 0.208 331 HG2 ARG 664 HG2 ARG 664 5.572 4.914 -1.638 332 HG3 ARG 664 HG3 ARG 664 5.715 6.602 -2.113 333 HD2 ARG 664 HD2 ARG 664 6.597 7.217 -0.013 334 HD3 ARG 664 HD3 ARG 664 6.134 5.691 0.725 335 HE ARG 664 HE ARG 664 7.928 5.248 -1.412 336 HH11 ARG 664 HH11 ARG 664 7.897 6.427 1.896 337 HH12 ARG 664 HH12 ARG 664 9.545 5.984 2.191 338 HH21 ARG 664 HH21 ARG 664 10.083 4.676 -1.004 339 HH22 ARG 664 HH22 ARG 664 10.781 4.993 0.549 340 H ASP 665 H ASP 665 1.698 7.232 -2.594 341 HA ASP 665 HA ASP 665 -0.390 7.750 -0.906 342 HB2 ASP 665 HB2 ASP 665 0.443 8.869 -3.146 343 HB3 ASP 665 HB3 ASP 665 -0.875 7.924 -3.834 344 H ILE 666 H ILE 666 -0.125 5.171 -3.261 345 HA ILE 666 HA ILE 666 -2.951 4.605 -3.338 346 HB ILE 666 HB ILE 666 -1.547 4.458 -5.424 347 HG12 ILE 666 HG12 ILE 666 -2.495 2.067 -6.015 348 HG13 ILE 666 HG13 ILE 666 -3.296 2.245 -4.460 349 HG21 ILE 666 HG21 ILE 666 -0.366 2.242 -5.776 350 HG22 ILE 666 HG22 ILE 666 -0.344 2.105 -4.019 351 HG23 ILE 666 HG23 ILE 666 0.466 3.457 -4.806 352 HD11 ILE 666 HD11 ILE 666 -4.752 2.954 -6.250 353 HD12 ILE 666 HD12 ILE 666 -3.541 4.106 -6.811 354 HD13 ILE 666 HD13 ILE 666 -4.316 4.334 -5.243 355 H ASN 667 H ASN 667 0.034 3.438 -2.073 356 HA ASN 667 HA ASN 667 -0.576 0.960 -1.122 357 HB2 ASN 667 HB2 ASN 667 1.317 3.086 -0.515 358 HB3 ASN 667 HB3 ASN 667 1.144 1.837 0.695 359 HD21 ASN 667 HD21 ASN 667 1.569 -0.359 0.071 360 HD22 ASN 667 HD22 ASN 667 2.609 -0.695 -1.266 361 H GLN 668 H GLN 668 -0.855 3.886 1.113 362 HA GLN 668 HA GLN 668 -2.325 2.223 2.998 363 HB2 GLN 668 HB2 GLN 668 -1.091 4.554 3.503 364 HB3 GLN 668 HB3 GLN 668 -2.697 5.178 3.153 365 HG2 GLN 668 HG2 GLN 668 -2.917 3.039 5.006 366 HG3 GLN 668 HG3 GLN 668 -1.709 4.180 5.570 367 HE21 GLN 668 HE21 GLN 668 -5.060 3.814 4.628 368 HE22 GLN 668 HE22 GLN 668 -5.627 5.248 5.405 369 H LEU 669 H LEU 669 -3.051 4.571 0.545 370 HA LEU 669 HA LEU 669 -5.751 4.990 0.778 371 HB2 LEU 669 HB2 LEU 669 -3.701 5.570 -0.954 372 HB3 LEU 669 HB3 LEU 669 -4.717 4.525 -1.938 373 HG LEU 669 HG LEU 669 -5.801 6.990 -0.563 374 HD11 LEU 669 HD11 LEU 669 -5.547 8.182 -2.625 375 HD12 LEU 669 HD12 LEU 669 -4.909 6.750 -3.430 376 HD13 LEU 669 HD13 LEU 669 -3.972 7.539 -2.163 377 HD21 LEU 669 HD21 LEU 669 -7.608 6.785 -2.201 378 HD22 LEU 669 HD22 LEU 669 -7.483 5.331 -1.212 379 HD23 LEU 669 HD23 LEU 669 -6.855 5.332 -2.860 380 H SER 670 H SER 670 -4.294 2.642 -1.486 381 HA SER 670 HA SER 670 -6.742 1.206 -1.832 382 HB2 SER 670 HB2 SER 670 -5.154 1.419 -3.660 383 HB3 SER 670 HB3 SER 670 -3.954 0.504 -2.751 384 HG SER 670 HG SER 670 -6.135 -0.962 -2.799 385 H GLU 671 H GLU 671 -3.668 0.383 -0.065 386 HA GLU 671 HA GLU 671 -4.682 -2.228 0.575 387 HB2 GLU 671 HB2 GLU 671 -2.272 -1.799 0.399 388 HB3 GLU 671 HB3 GLU 671 -2.350 -0.748 1.801 389 HG2 GLU 671 HG2 GLU 671 -1.431 -2.931 2.358 390 HG3 GLU 671 HG3 GLU 671 -2.938 -2.631 3.217 391 H ALA 672 H ALA 672 -4.005 0.579 2.753 392 HA ALA 672 HA ALA 672 -5.233 -0.568 5.007 393 HB1 ALA 672 HB1 ALA 672 -4.017 1.253 5.584 394 HB2 ALA 672 HB2 ALA 672 -5.642 1.936 5.648 395 HB3 ALA 672 HB3 ALA 672 -4.623 2.217 4.237 396 H LEU 673 H LEU 673 -6.869 1.438 2.496 397 HA LEU 673 HA LEU 673 -9.327 1.586 3.936 398 HB2 LEU 673 HB2 LEU 673 -8.383 2.356 1.268 399 HB3 LEU 673 HB3 LEU 673 -10.083 1.937 1.337 400 HG LEU 673 HG LEU 673 -10.144 3.610 3.349 401 HD11 LEU 673 HD11 LEU 673 -7.702 3.915 3.464 402 HD12 LEU 673 HD12 LEU 673 -8.560 5.429 3.181 403 HD13 LEU 673 HD13 LEU 673 -7.734 4.623 1.849 404 HD21 LEU 673 HD21 LEU 673 -11.339 3.917 1.258 405 HD22 LEU 673 HD22 LEU 673 -9.871 4.519 0.488 406 HD23 LEU 673 HD23 LEU 673 -10.624 5.438 1.792 407 H LEU 674 H LEU 674 -8.187 -0.619 1.403 408 HA LEU 674 HA LEU 674 -10.661 -2.000 1.101 409 HB2 LEU 674 HB2 LEU 674 -7.861 -2.424 0.180 410 HB3 LEU 674 HB3 LEU 674 -8.946 -3.793 0.131 411 HG LEU 674 HG LEU 674 -8.738 -2.621 -2.039 412 HD11 LEU 674 HD11 LEU 674 -10.781 -3.899 -1.409 413 HD12 LEU 674 HD12 LEU 674 -11.035 -2.652 -2.630 414 HD13 LEU 674 HD13 LEU 674 -11.534 -2.368 -0.963 415 HD21 LEU 674 HD21 LEU 674 -8.447 -0.336 -1.273 416 HD22 LEU 674 HD22 LEU 674 -10.095 -0.317 -0.643 417 HD23 LEU 674 HD23 LEU 674 -9.816 -0.449 -2.380 418 H SER 675 H SER 675 -7.744 -2.647 3.010 419 HA SER 675 HA SER 675 -8.574 -5.213 3.936 420 HB2 SER 675 HB2 SER 675 -6.677 -4.989 5.531 421 HB3 SER 675 HB3 SER 675 -6.218 -4.669 3.859 422 HG SER 675 HG SER 675 -5.629 -2.754 4.456 423 H LEU 676 H LEU 676 -8.727 -1.955 5.358 424 HA LEU 676 HA LEU 676 -9.738 -2.822 7.883 425 HB2 LEU 676 HB2 LEU 676 -9.574 -0.131 6.552 426 HB3 LEU 676 HB3 LEU 676 -10.331 -0.342 8.117 427 HG LEU 676 HG LEU 676 -7.508 -1.265 7.671 428 HD11 LEU 676 HD11 LEU 676 -7.570 1.046 6.907 429 HD12 LEU 676 HD12 LEU 676 -6.722 0.918 8.448 430 HD13 LEU 676 HD13 LEU 676 -8.375 1.531 8.399 431 HD21 LEU 676 HD21 LEU 676 -8.605 -1.959 9.731 432 HD22 LEU 676 HD22 LEU 676 -9.023 -0.285 10.093 433 HD23 LEU 676 HD23 LEU 676 -7.333 -0.788 10.078 434 H ASN 677 H ASN 677 -11.293 -1.485 4.972 435 HA ASN 677 HA ASN 677 -13.913 -1.406 6.109 436 HB2 ASN 677 HB2 ASN 677 -12.934 -0.089 4.075 437 HB3 ASN 677 HB3 ASN 677 -13.423 -1.503 3.148 438 HD21 ASN 677 HD21 ASN 677 -14.499 1.218 5.015 439 HD22 ASN 677 HD22 ASN 677 -16.160 1.146 4.542 440 H PHE 678 H PHE 678 -12.536 -3.519 3.555 441 HA PHE 678 HA PHE 678 -14.719 -5.360 3.641 442 HB2 PHE 678 HB2 PHE 678 -12.035 -5.381 2.283 443 HB3 PHE 678 HB3 PHE 678 -13.103 -6.779 2.220 444 HD1 PHE 678 HD1 PHE 678 -12.634 -3.300 1.164 445 HD2 PHE 678 HD2 PHE 678 -15.127 -6.742 0.930 446 HE1 PHE 678 HE1 PHE 678 -13.840 -2.294 -0.731 447 HE2 PHE 678 HE2 PHE 678 -16.335 -5.742 -0.965 448 HZ PHE 678 HZ PHE 678 -15.693 -3.516 -1.797 Start of MODEL 9 1 H1 GLY 627 H1 GLY 627 1.011 -0.867 -19.253 2 H2 GLY 627 H2 GLY 627 1.930 -0.937 -17.835 3 H3 GLY 627 H3 GLY 627 2.701 -0.848 -19.338 4 HA2 GLY 627 HA2 GLY 627 2.780 1.292 -18.240 5 HA3 GLY 627 HA3 GLY 627 1.818 1.364 -19.709 6 H GLY 628 H GLY 628 1.733 3.122 -17.404 7 HA2 GLY 628 HA2 GLY 628 -0.815 3.867 -17.162 8 HA3 GLY 628 HA3 GLY 628 -0.774 2.505 -16.053 9 H ILE 629 H ILE 629 -1.194 3.756 -14.245 10 HA ILE 629 HA ILE 629 0.947 5.621 -13.460 11 HB ILE 629 HB ILE 629 -0.781 6.565 -11.823 12 HG12 ILE 629 HG12 ILE 629 -3.146 6.370 -13.108 13 HG13 ILE 629 HG13 ILE 629 -2.512 4.762 -13.439 14 HG21 ILE 629 HG21 ILE 629 0.037 7.788 -13.736 15 HG22 ILE 629 HG22 ILE 629 -1.687 8.085 -13.519 16 HG23 ILE 629 HG23 ILE 629 -1.134 6.986 -14.783 17 HD11 ILE 629 HD11 ILE 629 -2.887 5.994 -10.719 18 HD12 ILE 629 HD12 ILE 629 -2.234 4.387 -11.040 19 HD13 ILE 629 HD13 ILE 629 -3.906 4.760 -11.459 20 H ARG 630 H ARG 630 -1.166 3.025 -12.338 21 HA ARG 630 HA ARG 630 -1.078 1.537 -10.634 22 HB2 ARG 630 HB2 ARG 630 1.857 2.200 -10.818 23 HB3 ARG 630 HB3 ARG 630 1.236 1.007 -9.687 24 HG2 ARG 630 HG2 ARG 630 0.301 -0.265 -11.574 25 HG3 ARG 630 HG3 ARG 630 0.994 0.916 -12.688 26 HD2 ARG 630 HD2 ARG 630 3.232 0.377 -11.879 27 HD3 ARG 630 HD3 ARG 630 2.549 -0.781 -10.738 28 HE ARG 630 HE ARG 630 1.818 -1.315 -13.460 29 HH11 ARG 630 HH11 ARG 630 4.327 -1.838 -11.059 30 HH12 ARG 630 HH12 ARG 630 4.932 -3.263 -11.834 31 HH21 ARG 630 HH21 ARG 630 2.627 -3.184 -14.458 32 HH22 ARG 630 HH22 ARG 630 3.970 -4.023 -13.757 33 H LYS 631 H LYS 631 -2.073 1.941 -8.808 34 HA LYS 631 HA LYS 631 -0.771 3.592 -6.780 35 HB2 LYS 631 HB2 LYS 631 -3.053 4.646 -6.257 36 HB3 LYS 631 HB3 LYS 631 -2.196 5.243 -7.662 37 HG2 LYS 631 HG2 LYS 631 -3.644 3.860 -9.101 38 HG3 LYS 631 HG3 LYS 631 -4.524 3.326 -7.668 39 HD2 LYS 631 HD2 LYS 631 -5.149 5.645 -7.191 40 HD3 LYS 631 HD3 LYS 631 -4.272 6.176 -8.627 41 HE2 LYS 631 HE2 LYS 631 -5.765 4.831 -10.028 42 HE3 LYS 631 HE3 LYS 631 -6.643 4.311 -8.590 43 HZ1 LYS 631 HZ1 LYS 631 -7.773 6.125 -9.717 44 HZ2 LYS 631 HZ2 LYS 631 -6.411 7.113 -9.549 45 HZ3 LYS 631 HZ3 LYS 631 -7.263 6.607 -8.178 46 H THR 632 H THR 632 -3.805 1.780 -7.288 47 HA THR 632 HA THR 632 -3.935 0.787 -4.611 48 HB THR 632 HB THR 632 -5.746 -0.724 -5.571 49 HG1 THR 632 HG1 THR 632 -6.177 -0.617 -7.663 50 HG21 THR 632 HG21 THR 632 -6.280 1.381 -4.466 51 HG22 THR 632 HG22 THR 632 -7.344 1.127 -5.850 52 HG23 THR 632 HG23 THR 632 -5.998 2.260 -5.969 53 H ARG 633 H ARG 633 -2.891 -0.525 -7.681 54 HA ARG 633 HA ARG 633 -2.706 -3.216 -7.199 55 HB2 ARG 633 HB2 ARG 633 -1.087 -1.389 -8.936 56 HB3 ARG 633 HB3 ARG 633 -0.786 -3.121 -8.898 57 HG2 ARG 633 HG2 ARG 633 -3.065 -3.556 -9.617 58 HG3 ARG 633 HG3 ARG 633 -3.414 -1.826 -9.599 59 HD2 ARG 633 HD2 ARG 633 -1.702 -1.475 -11.321 60 HD3 ARG 633 HD3 ARG 633 -1.380 -3.208 -11.347 61 HE ARG 633 HE ARG 633 -4.104 -2.835 -11.824 62 HH11 ARG 633 HH11 ARG 633 -1.063 -2.153 -13.444 63 HH12 ARG 633 HH12 ARG 633 -1.756 -2.239 -15.029 64 HH21 ARG 633 HH21 ARG 633 -4.990 -2.940 -13.908 65 HH22 ARG 633 HH22 ARG 633 -3.978 -2.683 -15.290 66 H GLU 634 H GLU 634 -0.259 -0.801 -6.114 67 HA GLU 634 HA GLU 634 1.700 -2.835 -5.642 68 HB2 GLU 634 HB2 GLU 634 1.611 0.117 -5.012 69 HB3 GLU 634 HB3 GLU 634 2.941 -0.927 -4.534 70 HG2 GLU 634 HG2 GLU 634 3.709 0.035 -6.498 71 HG3 GLU 634 HG3 GLU 634 3.090 -1.523 -7.038 72 H THR 635 H THR 635 -0.552 -0.863 -3.822 73 HA THR 635 HA THR 635 0.303 -1.742 -1.276 74 HB THR 635 HB THR 635 -0.601 0.365 -1.266 75 HG1 THR 635 HG1 THR 635 -2.717 -0.002 -0.078 76 HG21 THR 635 HG21 THR 635 -2.613 -0.705 -3.130 77 HG22 THR 635 HG22 THR 635 -1.911 0.908 -3.032 78 HG23 THR 635 HG23 THR 635 -3.237 0.453 -1.961 79 H GLU 636 H GLU 636 -2.860 -2.304 -2.824 80 HA GLU 636 HA GLU 636 -3.465 -4.281 -0.890 81 HB2 GLU 636 HB2 GLU 636 -5.196 -2.856 -1.565 82 HB3 GLU 636 HB3 GLU 636 -4.981 -3.274 -3.271 83 HG2 GLU 636 HG2 GLU 636 -5.784 -5.557 -2.796 84 HG3 GLU 636 HG3 GLU 636 -6.004 -5.112 -1.104 85 H ARG 637 H ARG 637 -2.420 -4.492 -4.288 86 HA ARG 637 HA ARG 637 -2.792 -7.298 -4.490 87 HB2 ARG 637 HB2 ARG 637 -2.234 -5.506 -6.340 88 HB3 ARG 637 HB3 ARG 637 -0.575 -5.961 -5.985 89 HG2 ARG 637 HG2 ARG 637 -1.005 -7.418 -7.679 90 HG3 ARG 637 HG3 ARG 637 -1.555 -8.401 -6.321 91 HD2 ARG 637 HD2 ARG 637 -3.858 -7.643 -6.725 92 HD3 ARG 637 HD3 ARG 637 -3.295 -6.688 -8.096 93 HE ARG 637 HE ARG 637 -2.517 -9.386 -8.408 94 HH11 ARG 637 HH11 ARG 637 -5.383 -7.365 -8.608 95 HH12 ARG 637 HH12 ARG 637 -6.174 -8.402 -9.747 96 HH21 ARG 637 HH21 ARG 637 -3.571 -10.727 -9.899 97 HH22 ARG 637 HH22 ARG 637 -5.148 -10.304 -10.477 98 H LEU 638 H LEU 638 -0.010 -5.331 -3.371 99 HA LEU 638 HA LEU 638 1.912 -7.330 -3.055 100 HB2 LEU 638 HB2 LEU 638 3.118 -5.854 -1.683 101 HB3 LEU 638 HB3 LEU 638 2.149 -4.762 -2.640 102 HG LEU 638 HG LEU 638 0.531 -4.873 -0.513 103 HD11 LEU 638 HD11 LEU 638 3.201 -5.378 0.725 104 HD12 LEU 638 HD12 LEU 638 1.892 -6.545 0.661 105 HD13 LEU 638 HD13 LEU 638 1.701 -5.048 1.574 106 HD21 LEU 638 HD21 LEU 638 3.047 -3.253 -0.311 107 HD22 LEU 638 HD22 LEU 638 1.465 -2.887 0.406 108 HD23 LEU 638 HD23 LEU 638 1.690 -2.848 -1.359 109 H ARG 639 H ARG 639 -0.156 -6.005 -0.634 110 HA ARG 639 HA ARG 639 0.290 -7.829 1.428 111 HB2 ARG 639 HB2 ARG 639 -0.492 -5.441 1.581 112 HB3 ARG 639 HB3 ARG 639 -2.076 -6.000 1.037 113 HG2 ARG 639 HG2 ARG 639 -2.365 -5.924 3.335 114 HG3 ARG 639 HG3 ARG 639 -1.968 -7.620 3.076 115 HD2 ARG 639 HD2 ARG 639 0.082 -5.537 3.816 116 HD3 ARG 639 HD3 ARG 639 -0.794 -6.493 5.007 117 HE ARG 639 HE ARG 639 0.344 -8.271 3.195 118 HH11 ARG 639 HH11 ARG 639 1.473 -5.952 5.581 119 HH12 ARG 639 HH12 ARG 639 2.939 -6.819 5.896 120 HH21 ARG 639 HH21 ARG 639 2.269 -9.388 3.626 121 HH22 ARG 639 HH22 ARG 639 3.388 -8.762 4.790 122 H ARG 640 H ARG 640 -2.318 -7.787 -1.007 123 HA ARG 640 HA ARG 640 -3.826 -9.915 0.095 124 HB2 ARG 640 HB2 ARG 640 -4.340 -8.208 -1.875 125 HB3 ARG 640 HB3 ARG 640 -3.735 -9.527 -2.866 126 HG2 ARG 640 HG2 ARG 640 -5.428 -11.016 -1.935 127 HG3 ARG 640 HG3 ARG 640 -6.026 -9.705 -0.916 128 HD2 ARG 640 HD2 ARG 640 -6.585 -8.411 -2.917 129 HD3 ARG 640 HD3 ARG 640 -5.988 -9.723 -3.933 130 HE ARG 640 HE ARG 640 -7.920 -10.798 -2.250 131 HH11 ARG 640 HH11 ARG 640 -7.804 -8.437 -4.847 132 HH12 ARG 640 HH12 ARG 640 -9.436 -8.733 -5.344 133 HH21 ARG 640 HH21 ARG 640 -10.053 -11.172 -2.920 134 HH22 ARG 640 HH22 ARG 640 -10.708 -10.281 -4.253 135 H GLN 641 H GLN 641 -1.175 -9.832 -2.243 136 HA GLN 641 HA GLN 641 -1.087 -12.749 -2.414 137 HB2 GLN 641 HB2 GLN 641 -0.783 -10.917 -4.344 138 HB3 GLN 641 HB3 GLN 641 0.892 -11.018 -3.824 139 HG2 GLN 641 HG2 GLN 641 0.900 -13.411 -4.263 140 HG3 GLN 641 HG3 GLN 641 -0.794 -13.338 -4.743 141 HE21 GLN 641 HE21 GLN 641 2.474 -12.545 -5.614 142 HE22 GLN 641 HE22 GLN 641 2.160 -12.185 -7.275 143 H LEU 642 H LEU 642 1.536 -13.366 -2.664 144 HA LEU 642 HA LEU 642 2.547 -12.998 0.028 145 HB2 LEU 642 HB2 LEU 642 3.460 -14.711 -2.283 146 HB3 LEU 642 HB3 LEU 642 4.298 -14.653 -0.746 147 HG LEU 642 HG LEU 642 1.904 -15.296 0.197 148 HD11 LEU 642 HD11 LEU 642 1.853 -16.395 -2.612 149 HD12 LEU 642 HD12 LEU 642 0.749 -15.196 -1.938 150 HD13 LEU 642 HD13 LEU 642 0.749 -16.845 -1.313 151 HD21 LEU 642 HD21 LEU 642 3.931 -16.596 0.509 152 HD22 LEU 642 HD22 LEU 642 3.790 -17.242 -1.126 153 HD23 LEU 642 HD23 LEU 642 2.580 -17.650 0.091 154 H LEU 643 H LEU 643 2.644 -10.586 -1.149 155 HA LEU 643 HA LEU 643 5.522 -10.096 -1.446 156 HB2 LEU 643 HB2 LEU 643 3.347 -9.075 -3.269 157 HB3 LEU 643 HB3 LEU 643 4.928 -8.324 -3.178 158 HG LEU 643 HG LEU 643 4.776 -11.249 -3.762 159 HD11 LEU 643 HD11 LEU 643 4.250 -9.074 -5.782 160 HD12 LEU 643 HD12 LEU 643 3.106 -10.306 -5.250 161 HD13 LEU 643 HD13 LEU 643 4.545 -10.772 -6.156 162 HD21 LEU 643 HD21 LEU 643 6.947 -10.154 -3.433 163 HD22 LEU 643 HD22 LEU 643 6.575 -9.030 -4.740 164 HD23 LEU 643 HD23 LEU 643 6.763 -10.750 -5.082 165 H GLU 644 H GLU 644 6.000 -7.664 -1.245 166 HA GLU 644 HA GLU 644 4.107 -6.157 0.352 167 HB2 GLU 644 HB2 GLU 644 6.719 -7.196 1.424 168 HB3 GLU 644 HB3 GLU 644 6.004 -5.728 2.073 169 HG2 GLU 644 HG2 GLU 644 3.990 -6.987 2.679 170 HG3 GLU 644 HG3 GLU 644 4.729 -8.456 2.043 171 H VAL 645 H VAL 645 4.281 -4.902 -1.773 172 HA VAL 645 HA VAL 645 6.883 -3.858 -2.449 173 HB VAL 645 HB VAL 645 4.084 -3.328 -3.536 174 HG11 VAL 645 HG11 VAL 645 5.784 -1.446 -3.973 175 HG12 VAL 645 HG12 VAL 645 5.025 -2.170 -5.390 176 HG13 VAL 645 HG13 VAL 645 6.675 -2.612 -4.952 177 HG21 VAL 645 HG21 VAL 645 4.891 -5.602 -3.862 178 HG22 VAL 645 HG22 VAL 645 6.386 -5.005 -4.584 179 HG23 VAL 645 HG23 VAL 645 4.845 -4.742 -5.401 180 H PHE 646 H PHE 646 4.007 -1.652 -2.236 181 HA PHE 646 HA PHE 646 5.754 0.393 -1.149 182 HB2 PHE 646 HB2 PHE 646 3.219 0.409 -2.614 183 HB3 PHE 646 HB3 PHE 646 3.335 1.626 -1.349 184 HD1 PHE 646 HD1 PHE 646 4.694 0.473 -4.542 185 HD2 PHE 646 HD2 PHE 646 4.943 3.423 -1.497 186 HE1 PHE 646 HE1 PHE 646 6.036 1.890 -6.036 187 HE2 PHE 646 HE2 PHE 646 6.285 4.851 -2.980 188 HZ PHE 646 HZ PHE 646 6.836 4.084 -5.255 189 H TRP 647 H TRP 647 2.532 -0.620 -0.440 190 HA TRP 647 HA TRP 647 2.358 0.332 2.153 191 HB2 TRP 647 HB2 TRP 647 0.224 0.170 1.362 192 HB3 TRP 647 HB3 TRP 647 0.628 -1.118 0.246 193 HD1 TRP 647 HD1 TRP 647 -0.539 -3.324 0.802 194 HE1 TRP 647 HE1 TRP 647 -1.555 -4.436 2.872 195 HE3 TRP 647 HE3 TRP 647 0.614 0.206 4.316 196 HZ2 TRP 647 HZ2 TRP 647 -1.846 -3.920 5.612 197 HZ3 TRP 647 HZ3 TRP 647 -0.071 -0.187 6.640 198 HH2 TRP 647 HH2 TRP 647 -1.276 -2.210 7.278 199 H GLY 648 H GLY 648 3.519 -2.753 0.920 200 HA2 GLY 648 HA2 GLY 648 3.584 -3.882 3.611 201 HA3 GLY 648 HA3 GLY 648 3.936 -4.734 2.140 202 H GLN 649 H GLN 649 5.944 -2.211 1.605 203 HA GLN 649 HA GLN 649 8.214 -3.625 2.629 204 HB2 GLN 649 HB2 GLN 649 7.926 -1.961 0.579 205 HB3 GLN 649 HB3 GLN 649 8.498 -0.793 1.759 206 HG2 GLN 649 HG2 GLN 649 10.500 -2.151 2.131 207 HG3 GLN 649 HG3 GLN 649 9.925 -3.315 0.939 208 HE21 GLN 649 HE21 GLN 649 11.259 -0.153 1.453 209 HE22 GLN 649 HE22 GLN 649 11.675 0.165 -0.193 210 H ASP 650 H ASP 650 9.166 -3.554 4.523 211 HA ASP 650 HA ASP 650 9.198 -3.090 6.846 212 HB2 ASP 650 HB2 ASP 650 11.278 -2.501 5.365 213 HB3 ASP 650 HB3 ASP 650 10.926 -0.853 5.871 214 H HIS 651 H HIS 651 10.180 -0.081 7.345 215 HA HIS 651 HA HIS 651 8.049 0.865 8.849 216 HB2 HIS 651 HB2 HIS 651 10.269 2.401 7.486 217 HB3 HIS 651 HB3 HIS 651 9.149 3.133 8.628 218 HD1 HIS 651 HD1 HIS 651 12.272 1.248 8.439 219 HD2 HIS 651 HD2 HIS 651 9.372 2.021 11.313 220 HE1 HIS 651 HE1 HIS 651 13.332 0.653 10.641 221 HE2 HIS 651 HE2 HIS 651 11.559 1.128 12.367 222 H LYS 652 H LYS 652 8.822 1.389 5.533 223 HA LYS 652 HA LYS 652 7.191 3.358 4.624 224 HB2 LYS 652 HB2 LYS 652 8.175 0.852 3.318 225 HB3 LYS 652 HB3 LYS 652 7.195 2.015 2.438 226 HG2 LYS 652 HG2 LYS 652 8.861 3.753 2.894 227 HG3 LYS 652 HG3 LYS 652 9.847 2.571 3.756 228 HD2 LYS 652 HD2 LYS 652 10.057 1.250 1.708 229 HD3 LYS 652 HD3 LYS 652 9.057 2.422 0.846 230 HE2 LYS 652 HE2 LYS 652 10.728 4.158 1.276 231 HE3 LYS 652 HE3 LYS 652 11.725 2.987 2.136 232 HZ1 LYS 652 HZ1 LYS 652 11.931 1.716 0.091 233 HZ2 LYS 652 HZ2 LYS 652 12.487 3.298 -0.132 234 HZ3 LYS 652 HZ3 LYS 652 10.973 2.841 -0.734 235 H VAL 653 H VAL 653 6.153 0.193 5.589 236 HA VAL 653 HA VAL 653 4.069 -0.499 3.992 237 HB VAL 653 HB VAL 653 3.052 -1.654 5.998 238 HG11 VAL 653 HG11 VAL 653 5.976 -2.201 6.047 239 HG12 VAL 653 HG12 VAL 653 5.052 -2.479 4.574 240 HG13 VAL 653 HG13 VAL 653 4.619 -3.326 6.059 241 HG21 VAL 653 HG21 VAL 653 5.117 -0.060 7.457 242 HG22 VAL 653 HG22 VAL 653 4.733 -1.685 8.022 243 HG23 VAL 653 HG23 VAL 653 3.465 -0.464 7.930 244 H ASP 654 H ASP 654 3.289 0.991 7.151 245 HA ASP 654 HA ASP 654 0.805 1.991 6.121 246 HB2 ASP 654 HB2 ASP 654 0.543 3.031 8.418 247 HB3 ASP 654 HB3 ASP 654 0.543 1.277 8.306 248 H PHE 655 H PHE 655 3.926 2.973 6.389 249 HA PHE 655 HA PHE 655 3.888 5.718 6.948 250 HB2 PHE 655 HB2 PHE 655 5.851 3.757 6.357 251 HB3 PHE 655 HB3 PHE 655 6.088 5.120 5.265 252 HD1 PHE 655 HD1 PHE 655 6.134 4.010 8.747 253 HD2 PHE 655 HD2 PHE 655 6.714 7.297 6.105 254 HE1 PHE 655 HE1 PHE 655 7.263 5.252 10.546 255 HE2 PHE 655 HE2 PHE 655 7.845 8.544 7.899 256 HZ PHE 655 HZ PHE 655 8.120 7.522 10.123 257 H ILE 656 H ILE 656 3.526 3.833 4.001 258 HA ILE 656 HA ILE 656 4.032 5.650 2.059 259 HB ILE 656 HB ILE 656 1.626 4.726 1.019 260 HG12 ILE 656 HG12 ILE 656 1.284 2.411 1.524 261 HG13 ILE 656 HG13 ILE 656 2.632 2.379 2.665 262 HG21 ILE 656 HG21 ILE 656 4.061 4.535 0.187 263 HG22 ILE 656 HG22 ILE 656 2.953 3.241 -0.261 264 HG23 ILE 656 HG23 ILE 656 4.111 2.994 1.037 265 HD11 ILE 656 HD11 ILE 656 0.470 2.403 3.734 266 HD12 ILE 656 HD12 ILE 656 0.109 3.940 2.943 267 HD13 ILE 656 HD13 ILE 656 1.406 3.844 4.136 268 H LEU 657 H LEU 657 0.690 5.448 3.490 269 HA LEU 657 HA LEU 657 -0.058 7.852 2.218 270 HB2 LEU 657 HB2 LEU 657 -1.842 6.457 2.625 271 HB3 LEU 657 HB3 LEU 657 -1.348 6.131 4.270 272 HG LEU 657 HG LEU 657 -2.188 8.931 3.675 273 HD11 LEU 657 HD11 LEU 657 -4.567 8.280 4.149 274 HD12 LEU 657 HD12 LEU 657 -4.097 6.620 3.786 275 HD13 LEU 657 HD13 LEU 657 -3.952 7.869 2.550 276 HD21 LEU 657 HD21 LEU 657 -1.411 8.144 5.924 277 HD22 LEU 657 HD22 LEU 657 -2.868 7.156 6.011 278 HD23 LEU 657 HD23 LEU 657 -2.999 8.910 5.909 279 H GLN 658 H GLN 658 1.135 7.245 5.494 280 HA GLN 658 HA GLN 658 0.658 9.745 6.638 281 HB2 GLN 658 HB2 GLN 658 2.839 7.728 7.110 282 HB3 GLN 658 HB3 GLN 658 2.716 9.203 8.056 283 HG2 GLN 658 HG2 GLN 658 0.451 8.541 8.751 284 HG3 GLN 658 HG3 GLN 658 0.636 7.036 7.851 285 HE21 GLN 658 HE21 GLN 658 2.050 5.460 8.610 286 HE22 GLN 658 HE22 GLN 658 2.641 5.464 10.234 287 H ARG 659 H ARG 659 2.581 9.150 3.963 288 HA ARG 659 HA ARG 659 4.493 11.297 4.427 289 HB2 ARG 659 HB2 ARG 659 4.103 9.361 2.131 290 HB3 ARG 659 HB3 ARG 659 5.307 10.640 2.117 291 HG2 ARG 659 HG2 ARG 659 5.273 8.682 4.371 292 HG3 ARG 659 HG3 ARG 659 5.971 8.220 2.818 293 HD2 ARG 659 HD2 ARG 659 7.494 10.126 2.926 294 HD3 ARG 659 HD3 ARG 659 6.780 10.621 4.460 295 HE ARG 659 HE ARG 659 7.673 7.979 4.709 296 HH11 ARG 659 HH11 ARG 659 9.044 11.192 4.340 297 HH12 ARG 659 HH12 ARG 659 10.514 10.784 5.160 298 HH21 ARG 659 HH21 ARG 659 9.609 7.465 5.771 299 HH22 ARG 659 HH22 ARG 659 10.832 8.675 5.969 300 H GLU 660 H GLU 660 4.732 12.385 1.857 301 HA GLU 660 HA GLU 660 2.376 14.092 1.801 302 HB2 GLU 660 HB2 GLU 660 5.141 14.355 0.668 303 HB3 GLU 660 HB3 GLU 660 3.844 15.426 0.160 304 HG2 GLU 660 HG2 GLU 660 3.529 16.153 2.462 305 HG3 GLU 660 HG3 GLU 660 4.804 15.056 2.989 306 HA PRO 661 HA PRO 661 2.668 12.663 -2.941 307 HB2 PRO 661 HB2 PRO 661 3.441 9.830 -2.530 308 HB3 PRO 661 HB3 PRO 661 3.933 10.960 -3.799 309 HG2 PRO 661 HG2 PRO 661 5.641 10.298 -1.896 310 HG3 PRO 661 HG3 PRO 661 5.541 11.975 -2.474 311 HD2 PRO 661 HD2 PRO 661 4.398 10.774 0.018 312 HD3 PRO 661 HD3 PRO 661 5.246 12.318 -0.199 313 H TYR 662 H TYR 662 0.990 11.726 -4.068 314 HA TYR 662 HA TYR 662 -1.296 10.930 -2.555 315 HB2 TYR 662 HB2 TYR 662 -0.801 11.171 -5.521 316 HB3 TYR 662 HB3 TYR 662 -2.356 10.700 -4.843 317 HD1 TYR 662 HD1 TYR 662 -3.739 12.316 -3.660 318 HD2 TYR 662 HD2 TYR 662 0.014 13.450 -5.313 319 HE1 TYR 662 HE1 TYR 662 -4.349 14.684 -3.403 320 HE2 TYR 662 HE2 TYR 662 -0.586 15.822 -5.060 321 HH TYR 662 HH TYR 662 -2.612 17.200 -4.873 322 H CYS 663 H CYS 663 0.894 9.225 -4.754 323 HA CYS 663 HA CYS 663 -0.429 6.802 -5.053 324 HB2 CYS 663 HB2 CYS 663 2.550 7.293 -4.900 325 HB3 CYS 663 HB3 CYS 663 1.793 5.840 -5.542 326 HG CYS 663 HG CYS 663 2.513 8.627 -7.086 327 H ARG 664 H ARG 664 1.619 7.867 -2.385 328 HA ARG 664 HA ARG 664 1.733 5.323 -1.127 329 HB2 ARG 664 HB2 ARG 664 2.509 8.029 -0.021 330 HB3 ARG 664 HB3 ARG 664 2.952 6.463 0.663 331 HG2 ARG 664 HG2 ARG 664 4.219 6.001 -1.452 332 HG3 ARG 664 HG3 ARG 664 3.887 7.655 -1.957 333 HD2 ARG 664 HD2 ARG 664 5.027 8.496 0.036 334 HD3 ARG 664 HD3 ARG 664 5.357 6.841 0.547 335 HE ARG 664 HE ARG 664 6.363 7.326 -2.065 336 HH11 ARG 664 HH11 ARG 664 7.098 7.946 1.313 337 HH12 ARG 664 HH12 ARG 664 8.803 8.078 1.037 338 HH21 ARG 664 HH21 ARG 664 8.598 7.503 -2.403 339 HH22 ARG 664 HH22 ARG 664 9.650 7.828 -1.066 340 H ASP 665 H ASP 665 0.031 8.322 -0.867 341 HA ASP 665 HA ASP 665 -1.493 8.095 1.404 342 HB2 ASP 665 HB2 ASP 665 -1.311 9.969 -0.424 343 HB3 ASP 665 HB3 ASP 665 -2.736 9.175 -1.085 344 H ILE 666 H ILE 666 -1.887 6.375 -1.610 345 HA ILE 666 HA ILE 666 -4.649 5.675 -1.136 346 HB ILE 666 HB ILE 666 -3.773 6.238 -3.470 347 HG12 ILE 666 HG12 ILE 666 -5.006 4.105 -4.452 348 HG13 ILE 666 HG13 ILE 666 -5.417 3.851 -2.760 349 HG21 ILE 666 HG21 ILE 666 -2.056 5.127 -4.327 350 HG22 ILE 666 HG22 ILE 666 -3.015 3.644 -4.285 351 HG23 ILE 666 HG23 ILE 666 -2.002 4.079 -2.911 352 HD11 ILE 666 HD11 ILE 666 -6.039 6.305 -4.390 353 HD12 ILE 666 HD12 ILE 666 -6.432 6.079 -2.686 354 HD13 ILE 666 HD13 ILE 666 -7.179 5.049 -3.907 355 H ASN 667 H ASN 667 -1.445 4.455 -1.126 356 HA ASN 667 HA ASN 667 -1.733 1.771 -0.922 357 HB2 ASN 667 HB2 ASN 667 0.209 3.811 -0.366 358 HB3 ASN 667 HB3 ASN 667 0.417 2.435 0.682 359 HD21 ASN 667 HD21 ASN 667 0.434 3.583 -2.585 360 HD22 ASN 667 HD22 ASN 667 1.264 2.232 -3.273 361 H GLN 668 H GLN 668 -1.304 3.800 2.117 362 HA GLN 668 HA GLN 668 -2.268 1.548 3.662 363 HB2 GLN 668 HB2 GLN 668 -1.418 2.552 5.463 364 HB3 GLN 668 HB3 GLN 668 -0.880 3.848 4.444 365 HG2 GLN 668 HG2 GLN 668 -2.827 5.153 4.978 366 HG3 GLN 668 HG3 GLN 668 -3.552 3.794 5.817 367 HE21 GLN 668 HE21 GLN 668 -2.901 3.278 7.864 368 HE22 GLN 668 HE22 GLN 668 -1.859 4.282 8.808 369 H LEU 669 H LEU 669 -3.545 4.519 2.452 370 HA LEU 669 HA LEU 669 -6.030 4.711 3.589 371 HB2 LEU 669 HB2 LEU 669 -4.633 5.942 1.622 372 HB3 LEU 669 HB3 LEU 669 -5.806 5.065 0.655 373 HG LEU 669 HG LEU 669 -6.708 6.865 2.900 374 HD11 LEU 669 HD11 LEU 669 -5.525 7.630 0.363 375 HD12 LEU 669 HD12 LEU 669 -5.953 8.622 1.758 376 HD13 LEU 669 HD13 LEU 669 -7.171 8.232 0.545 377 HD21 LEU 669 HD21 LEU 669 -8.360 5.290 2.031 378 HD22 LEU 669 HD22 LEU 669 -8.070 5.874 0.393 379 HD23 LEU 669 HD23 LEU 669 -8.783 6.947 1.598 380 H SER 670 H SER 670 -5.293 3.094 0.487 381 HA SER 670 HA SER 670 -7.784 1.749 0.357 382 HB2 SER 670 HB2 SER 670 -5.212 1.298 -1.159 383 HB3 SER 670 HB3 SER 670 -6.708 0.429 -1.498 384 HG SER 670 HG SER 670 -6.584 3.253 -1.456 385 H GLU 671 H GLU 671 -4.444 0.289 0.930 386 HA GLU 671 HA GLU 671 -5.810 -2.138 1.714 387 HB2 GLU 671 HB2 GLU 671 -3.347 -1.753 0.704 388 HB3 GLU 671 HB3 GLU 671 -2.973 -1.981 2.408 389 HG2 GLU 671 HG2 GLU 671 -4.599 -3.874 0.719 390 HG3 GLU 671 HG3 GLU 671 -2.899 -4.073 1.129 391 H ALA 672 H ALA 672 -3.467 -0.073 3.610 392 HA ALA 672 HA ALA 672 -3.955 -1.339 6.043 393 HB1 ALA 672 HB1 ALA 672 -3.495 1.606 5.791 394 HB2 ALA 672 HB2 ALA 672 -2.245 0.369 5.687 395 HB3 ALA 672 HB3 ALA 672 -3.148 0.589 7.187 396 H LEU 673 H LEU 673 -6.079 1.309 4.753 397 HA LEU 673 HA LEU 673 -7.564 1.468 7.208 398 HB2 LEU 673 HB2 LEU 673 -7.283 3.230 5.308 399 HB3 LEU 673 HB3 LEU 673 -8.657 2.415 4.591 400 HG LEU 673 HG LEU 673 -8.916 3.304 7.424 401 HD11 LEU 673 HD11 LEU 673 -9.573 5.553 6.701 402 HD12 LEU 673 HD12 LEU 673 -9.036 5.176 5.064 403 HD13 LEU 673 HD13 LEU 673 -7.869 5.229 6.385 404 HD21 LEU 673 HD21 LEU 673 -10.784 3.302 5.052 405 HD22 LEU 673 HD22 LEU 673 -11.215 3.736 6.706 406 HD23 LEU 673 HD23 LEU 673 -10.727 2.084 6.327 407 H LEU 674 H LEU 674 -8.169 -0.135 4.084 408 HA LEU 674 HA LEU 674 -10.772 -1.073 4.790 409 HB2 LEU 674 HB2 LEU 674 -8.897 -1.476 2.532 410 HB3 LEU 674 HB3 LEU 674 -10.100 -2.725 2.785 411 HG LEU 674 HG LEU 674 -11.798 -0.741 2.779 412 HD11 LEU 674 HD11 LEU 674 -9.493 0.485 1.271 413 HD12 LEU 674 HD12 LEU 674 -10.132 1.050 2.815 414 HD13 LEU 674 HD13 LEU 674 -11.133 1.126 1.365 415 HD21 LEU 674 HD21 LEU 674 -10.415 -1.682 0.272 416 HD22 LEU 674 HD22 LEU 674 -12.013 -0.939 0.349 417 HD23 LEU 674 HD23 LEU 674 -11.731 -2.504 1.111 418 H SER 675 H SER 675 -7.557 -2.561 4.842 419 HA SER 675 HA SER 675 -8.403 -5.179 5.530 420 HB2 SER 675 HB2 SER 675 -6.181 -4.583 4.530 421 HB3 SER 675 HB3 SER 675 -5.709 -3.927 6.097 422 HG SER 675 HG SER 675 -6.732 -6.481 6.186 423 H LEU 676 H LEU 676 -7.346 -2.417 7.491 424 HA LEU 676 HA LEU 676 -7.379 -3.799 9.988 425 HB2 LEU 676 HB2 LEU 676 -6.160 -1.604 9.279 426 HB3 LEU 676 HB3 LEU 676 -7.660 -0.825 9.739 427 HG LEU 676 HG LEU 676 -6.394 -2.649 11.728 428 HD11 LEU 676 HD11 LEU 676 -5.377 0.122 11.114 429 HD12 LEU 676 HD12 LEU 676 -4.488 -1.388 10.907 430 HD13 LEU 676 HD13 LEU 676 -4.939 -0.844 12.523 431 HD21 LEU 676 HD21 LEU 676 -7.802 0.014 11.930 432 HD22 LEU 676 HD22 LEU 676 -7.264 -0.975 13.287 433 HD23 LEU 676 HD23 LEU 676 -8.531 -1.567 12.211 434 H ASN 677 H ASN 677 -9.710 -1.692 8.326 435 HA ASN 677 HA ASN 677 -11.590 -1.614 10.473 436 HB2 ASN 677 HB2 ASN 677 -11.285 0.001 8.434 437 HB3 ASN 677 HB3 ASN 677 -12.366 -1.121 7.616 438 HD21 ASN 677 HD21 ASN 677 -14.501 -1.297 8.298 439 HD22 ASN 677 HD22 ASN 677 -15.243 -0.107 9.308 440 H PHE 678 H PHE 678 -11.596 -3.365 7.347 441 HA PHE 678 HA PHE 678 -13.945 -4.873 7.959 442 HB2 PHE 678 HB2 PHE 678 -11.878 -5.062 5.777 443 HB3 PHE 678 HB3 PHE 678 -13.182 -6.236 5.920 444 HD1 PHE 678 HD1 PHE 678 -12.320 -2.778 5.116 445 HD2 PHE 678 HD2 PHE 678 -15.473 -5.615 5.457 446 HE1 PHE 678 HE1 PHE 678 -13.807 -1.270 3.864 447 HE2 PHE 678 HE2 PHE 678 -16.965 -4.113 4.204 448 HZ PHE 678 HZ PHE 678 -16.133 -1.937 3.406 Start of MODEL 10 1 H1 GLY 627 H1 GLY 627 3.753 11.569 -9.722 2 H2 GLY 627 H2 GLY 627 5.291 11.037 -9.258 3 H3 GLY 627 H3 GLY 627 4.082 11.247 -8.093 4 HA2 GLY 627 HA2 GLY 627 4.378 8.906 -8.566 5 HA3 GLY 627 HA3 GLY 627 2.784 9.459 -9.056 6 H GLY 628 H GLY 628 2.296 8.163 -10.722 7 HA2 GLY 628 HA2 GLY 628 3.218 8.608 -13.284 8 HA3 GLY 628 HA3 GLY 628 4.189 7.280 -12.668 9 H ILE 629 H ILE 629 2.610 5.672 -11.352 10 HA ILE 629 HA ILE 629 0.194 5.187 -12.927 11 HB ILE 629 HB ILE 629 0.823 2.679 -12.916 12 HG12 ILE 629 HG12 ILE 629 3.499 2.764 -13.461 13 HG13 ILE 629 HG13 ILE 629 3.393 3.915 -12.134 14 HG21 ILE 629 HG21 ILE 629 2.171 4.616 -14.784 15 HG22 ILE 629 HG22 ILE 629 0.528 3.991 -14.921 16 HG23 ILE 629 HG23 ILE 629 1.903 2.903 -15.105 17 HD11 ILE 629 HD11 ILE 629 2.213 2.149 -10.818 18 HD12 ILE 629 HD12 ILE 629 3.893 1.789 -11.216 19 HD13 ILE 629 HD13 ILE 629 2.589 1.021 -12.121 20 H ARG 630 H ARG 630 -1.453 4.944 -11.625 21 HA ARG 630 HA ARG 630 -1.077 4.260 -8.821 22 HB2 ARG 630 HB2 ARG 630 -3.568 5.053 -10.354 23 HB3 ARG 630 HB3 ARG 630 -3.492 4.810 -8.616 24 HG2 ARG 630 HG2 ARG 630 -2.186 6.729 -8.289 25 HG3 ARG 630 HG3 ARG 630 -1.755 6.832 -9.997 26 HD2 ARG 630 HD2 ARG 630 -4.565 7.172 -8.960 27 HD3 ARG 630 HD3 ARG 630 -3.452 8.514 -9.212 28 HE ARG 630 HE ARG 630 -3.781 6.865 -11.538 29 HH11 ARG 630 HH11 ARG 630 -5.157 9.577 -9.782 30 HH12 ARG 630 HH12 ARG 630 -5.941 10.233 -11.181 31 HH21 ARG 630 HH21 ARG 630 -4.813 7.742 -13.355 32 HH22 ARG 630 HH22 ARG 630 -5.746 9.194 -13.201 33 H LYS 631 H LYS 631 -1.159 2.208 -8.143 34 HA LYS 631 HA LYS 631 -3.069 0.378 -9.400 35 HB2 LYS 631 HB2 LYS 631 -0.121 0.070 -9.312 36 HB3 LYS 631 HB3 LYS 631 -1.068 -1.368 -8.963 37 HG2 LYS 631 HG2 LYS 631 -0.761 -1.566 -11.228 38 HG3 LYS 631 HG3 LYS 631 -2.316 -0.740 -11.174 39 HD2 LYS 631 HD2 LYS 631 -1.167 1.410 -11.519 40 HD3 LYS 631 HD3 LYS 631 0.376 0.560 -11.603 41 HE2 LYS 631 HE2 LYS 631 -1.923 -0.040 -13.449 42 HE3 LYS 631 HE3 LYS 631 -0.697 1.171 -13.817 43 HZ1 LYS 631 HZ1 LYS 631 0.993 -0.555 -13.683 44 HZ2 LYS 631 HZ2 LYS 631 -0.177 -0.953 -14.839 45 HZ3 LYS 631 HZ3 LYS 631 -0.187 -1.716 -13.329 46 H THR 632 H THR 632 -4.220 -0.717 -8.069 47 HA THR 632 HA THR 632 -3.978 -0.569 -5.229 48 HB THR 632 HB THR 632 -5.902 -2.235 -5.275 49 HG1 THR 632 HG1 THR 632 -5.547 -1.802 -8.063 50 HG21 THR 632 HG21 THR 632 -7.527 -0.571 -6.057 51 HG22 THR 632 HG22 THR 632 -6.224 0.343 -6.816 52 HG23 THR 632 HG23 THR 632 -6.274 0.170 -5.061 53 H ARG 633 H ARG 633 -3.308 -2.970 -7.648 54 HA ARG 633 HA ARG 633 -3.073 -5.321 -6.292 55 HB2 ARG 633 HB2 ARG 633 -1.611 -4.233 -8.667 56 HB3 ARG 633 HB3 ARG 633 -1.271 -5.847 -8.061 57 HG2 ARG 633 HG2 ARG 633 -3.615 -6.463 -8.380 58 HG3 ARG 633 HG3 ARG 633 -3.957 -4.841 -8.982 59 HD2 ARG 633 HD2 ARG 633 -2.389 -5.198 -10.827 60 HD3 ARG 633 HD3 ARG 633 -2.046 -6.818 -10.222 61 HE ARG 633 HE ARG 633 -4.803 -6.610 -10.612 62 HH11 ARG 633 HH11 ARG 633 -1.891 -6.640 -12.576 63 HH12 ARG 633 HH12 ARG 633 -2.694 -7.307 -13.958 64 HH21 ARG 633 HH21 ARG 633 -5.831 -7.481 -12.433 65 HH22 ARG 633 HH22 ARG 633 -4.922 -7.782 -13.876 66 H GLU 634 H GLU 634 -0.576 -2.735 -6.226 67 HA GLU 634 HA GLU 634 1.450 -4.538 -5.286 68 HB2 GLU 634 HB2 GLU 634 1.352 -1.531 -5.539 69 HB3 GLU 634 HB3 GLU 634 2.731 -2.393 -4.873 70 HG2 GLU 634 HG2 GLU 634 3.397 -2.146 -7.050 71 HG3 GLU 634 HG3 GLU 634 2.606 -3.717 -7.133 72 H THR 635 H THR 635 -0.709 -2.113 -3.926 73 HA THR 635 HA THR 635 0.348 -2.300 -1.310 74 HB THR 635 HB THR 635 -0.610 -0.243 -1.944 75 HG1 THR 635 HG1 THR 635 -1.195 -1.500 0.260 76 HG21 THR 635 HG21 THR 635 -2.751 -1.777 -3.042 77 HG22 THR 635 HG22 THR 635 -2.462 -0.048 -3.180 78 HG23 THR 635 HG23 THR 635 -3.419 -0.676 -1.840 79 H GLU 636 H GLU 636 -2.879 -3.316 -2.493 80 HA GLU 636 HA GLU 636 -3.375 -4.686 -0.063 81 HB2 GLU 636 HB2 GLU 636 -5.515 -5.373 -1.074 82 HB3 GLU 636 HB3 GLU 636 -5.220 -3.636 -1.058 83 HG2 GLU 636 HG2 GLU 636 -4.631 -3.722 -3.438 84 HG3 GLU 636 HG3 GLU 636 -4.907 -5.463 -3.453 85 H ARG 637 H ARG 637 -2.450 -5.859 -3.287 86 HA ARG 637 HA ARG 637 -2.747 -8.602 -2.633 87 HB2 ARG 637 HB2 ARG 637 -1.165 -7.209 -4.769 88 HB3 ARG 637 HB3 ARG 637 -1.062 -8.950 -4.544 89 HG2 ARG 637 HG2 ARG 637 -3.535 -9.064 -4.823 90 HG3 ARG 637 HG3 ARG 637 -3.515 -7.346 -5.227 91 HD2 ARG 637 HD2 ARG 637 -2.006 -7.816 -7.102 92 HD3 ARG 637 HD3 ARG 637 -2.047 -9.531 -6.700 93 HE ARG 637 HE ARG 637 -4.671 -8.555 -7.091 94 HH11 ARG 637 HH11 ARG 637 -1.808 -9.428 -8.930 95 HH12 ARG 637 HH12 ARG 637 -2.705 -9.820 -10.358 96 HH21 ARG 637 HH21 ARG 637 -5.824 -9.074 -8.973 97 HH22 ARG 637 HH22 ARG 637 -4.977 -9.620 -10.381 98 H LEU 638 H LEU 638 0.055 -6.391 -2.343 99 HA LEU 638 HA LEU 638 2.069 -8.169 -1.620 100 HB2 LEU 638 HB2 LEU 638 3.256 -6.324 -0.856 101 HB3 LEU 638 HB3 LEU 638 2.029 -5.495 -1.787 102 HG LEU 638 HG LEU 638 0.773 -5.529 0.589 103 HD11 LEU 638 HD11 LEU 638 2.135 -5.270 2.472 104 HD12 LEU 638 HD12 LEU 638 3.585 -5.193 1.500 105 HD13 LEU 638 HD13 LEU 638 2.717 -6.714 1.650 106 HD21 LEU 638 HD21 LEU 638 2.664 -3.371 0.762 107 HD22 LEU 638 HD22 LEU 638 0.904 -3.345 0.535 108 HD23 LEU 638 HD23 LEU 638 1.987 -3.543 -0.865 109 H ARG 639 H ARG 639 0.092 -6.299 0.456 110 HA ARG 639 HA ARG 639 0.770 -7.514 2.890 111 HB2 ARG 639 HB2 ARG 639 -0.030 -5.102 2.348 112 HB3 ARG 639 HB3 ARG 639 -1.661 -5.787 2.470 113 HG2 ARG 639 HG2 ARG 639 0.317 -6.160 4.701 114 HG3 ARG 639 HG3 ARG 639 -0.624 -4.679 4.555 115 HD2 ARG 639 HD2 ARG 639 -2.695 -5.986 4.669 116 HD3 ARG 639 HD3 ARG 639 -1.751 -7.469 4.809 117 HE ARG 639 HE ARG 639 -0.995 -5.671 6.842 118 HH11 ARG 639 HH11 ARG 639 -3.687 -7.753 5.973 119 HH12 ARG 639 HH12 ARG 639 -4.191 -7.979 7.614 120 HH21 ARG 639 HH21 ARG 639 -1.672 -5.983 8.984 121 HH22 ARG 639 HH22 ARG 639 -3.050 -6.978 9.316 122 H ARG 640 H ARG 640 -2.089 -8.022 0.809 123 HA ARG 640 HA ARG 640 -3.400 -9.789 2.625 124 HB2 ARG 640 HB2 ARG 640 -3.682 -9.298 -0.331 125 HB3 ARG 640 HB3 ARG 640 -4.571 -10.592 0.459 126 HG2 ARG 640 HG2 ARG 640 -5.598 -8.949 1.967 127 HG3 ARG 640 HG3 ARG 640 -4.732 -7.660 1.128 128 HD2 ARG 640 HD2 ARG 640 -5.877 -8.224 -0.946 129 HD3 ARG 640 HD3 ARG 640 -6.714 -9.548 -0.139 130 HE ARG 640 HE ARG 640 -7.201 -7.102 1.202 131 HH11 ARG 640 HH11 ARG 640 -8.131 -8.837 -1.706 132 HH12 ARG 640 HH12 ARG 640 -9.670 -8.052 -1.821 133 HH21 ARG 640 HH21 ARG 640 -9.221 -6.088 1.034 134 HH22 ARG 640 HH22 ARG 640 -10.286 -6.497 -0.270 135 H GLN 641 H GLN 641 -1.172 -10.264 -0.074 136 HA GLN 641 HA GLN 641 -0.940 -13.124 0.545 137 HB2 GLN 641 HB2 GLN 641 -1.320 -12.050 -1.853 138 HB3 GLN 641 HB3 GLN 641 0.423 -11.836 -1.796 139 HG2 GLN 641 HG2 GLN 641 0.700 -14.244 -1.442 140 HG3 GLN 641 HG3 GLN 641 -1.049 -14.449 -1.521 141 HE21 GLN 641 HE21 GLN 641 1.846 -13.770 -3.314 142 HE22 GLN 641 HE22 GLN 641 1.169 -13.990 -4.888 143 H LEU 642 H LEU 642 1.835 -13.054 -0.763 144 HA LEU 642 HA LEU 642 3.316 -11.739 1.412 145 HB2 LEU 642 HB2 LEU 642 3.721 -14.547 0.383 146 HB3 LEU 642 HB3 LEU 642 4.892 -13.709 1.381 147 HG LEU 642 HG LEU 642 2.092 -13.988 2.390 148 HD11 LEU 642 HD11 LEU 642 2.639 -16.224 1.612 149 HD12 LEU 642 HD12 LEU 642 2.659 -16.159 3.375 150 HD13 LEU 642 HD13 LEU 642 4.176 -16.165 2.475 151 HD21 LEU 642 HD21 LEU 642 3.246 -14.086 4.546 152 HD22 LEU 642 HD22 LEU 642 3.701 -12.642 3.642 153 HD23 LEU 642 HD23 LEU 642 4.803 -14.017 3.719 154 H LEU 643 H LEU 643 4.026 -10.046 0.182 155 HA LEU 643 HA LEU 643 6.240 -10.595 -1.610 156 HB2 LEU 643 HB2 LEU 643 3.807 -9.071 -2.542 157 HB3 LEU 643 HB3 LEU 643 5.362 -8.968 -3.334 158 HG LEU 643 HG LEU 643 4.116 -11.660 -2.977 159 HD11 LEU 643 HD11 LEU 643 2.293 -10.304 -3.838 160 HD12 LEU 643 HD12 LEU 643 2.905 -11.386 -5.090 161 HD13 LEU 643 HD13 LEU 643 3.340 -9.677 -5.111 162 HD21 LEU 643 HD21 LEU 643 6.378 -11.483 -3.881 163 HD22 LEU 643 HD22 LEU 643 5.794 -10.408 -5.152 164 HD23 LEU 643 HD23 LEU 643 5.255 -12.086 -5.101 165 H GLU 644 H GLU 644 4.154 -8.099 -0.158 166 HA GLU 644 HA GLU 644 4.553 -6.108 0.826 167 HB2 GLU 644 HB2 GLU 644 7.187 -7.457 1.347 168 HB3 GLU 644 HB3 GLU 644 6.871 -5.833 1.932 169 HG2 GLU 644 HG2 GLU 644 6.356 -7.173 3.749 170 HG3 GLU 644 HG3 GLU 644 4.781 -6.852 3.026 171 H VAL 645 H VAL 645 4.348 -5.425 -1.623 172 HA VAL 645 HA VAL 645 6.852 -4.688 -2.877 173 HB VAL 645 HB VAL 645 3.926 -4.478 -3.590 174 HG11 VAL 645 HG11 VAL 645 5.061 -2.558 -4.689 175 HG12 VAL 645 HG12 VAL 645 4.565 -3.771 -5.868 176 HG13 VAL 645 HG13 VAL 645 6.255 -3.654 -5.382 177 HG21 VAL 645 HG21 VAL 645 4.918 -6.685 -3.667 178 HG22 VAL 645 HG22 VAL 645 6.220 -6.111 -4.707 179 HG23 VAL 645 HG23 VAL 645 4.561 -6.134 -5.304 180 H PHE 646 H PHE 646 4.046 -2.339 -2.738 181 HA PHE 646 HA PHE 646 5.958 -0.163 -2.441 182 HB2 PHE 646 HB2 PHE 646 3.164 -0.319 -3.363 183 HB3 PHE 646 HB3 PHE 646 3.562 1.110 -2.402 184 HD1 PHE 646 HD1 PHE 646 5.180 2.734 -3.209 185 HD2 PHE 646 HD2 PHE 646 4.110 -0.647 -5.555 186 HE1 PHE 646 HE1 PHE 646 6.178 3.798 -5.190 187 HE2 PHE 646 HE2 PHE 646 5.105 0.408 -7.541 188 HZ PHE 646 HZ PHE 646 6.141 2.635 -7.360 189 H TRP 647 H TRP 647 2.931 -1.067 -1.080 190 HA TRP 647 HA TRP 647 3.065 0.432 1.253 191 HB2 TRP 647 HB2 TRP 647 0.962 -0.308 0.079 192 HB3 TRP 647 HB3 TRP 647 1.377 -1.954 0.432 193 HD1 TRP 647 HD1 TRP 647 -0.760 0.674 1.673 194 HE1 TRP 647 HE1 TRP 647 -1.594 0.234 4.055 195 HE3 TRP 647 HE3 TRP 647 2.449 -3.097 3.009 196 HZ2 TRP 647 HZ2 TRP 647 -1.003 -1.471 6.208 197 HZ3 TRP 647 HZ3 TRP 647 2.227 -4.078 5.249 198 HH2 TRP 647 HH2 TRP 647 0.538 -3.281 6.817 199 H GLY 648 H GLY 648 4.060 -2.793 0.298 200 HA2 GLY 648 HA2 GLY 648 4.571 -4.012 2.741 201 HA3 GLY 648 HA3 GLY 648 5.390 -4.365 1.238 202 H GLN 649 H GLN 649 7.001 -2.179 0.789 203 HA GLN 649 HA GLN 649 9.252 -2.625 2.245 204 HB2 GLN 649 HB2 GLN 649 8.245 -0.180 0.874 205 HB3 GLN 649 HB3 GLN 649 9.732 -0.068 1.809 206 HG2 GLN 649 HG2 GLN 649 10.699 -1.872 0.473 207 HG3 GLN 649 HG3 GLN 649 9.207 -1.975 -0.461 208 HE21 GLN 649 HE21 GLN 649 8.697 -0.335 -1.914 209 HE22 GLN 649 HE22 GLN 649 9.876 0.802 -2.465 210 H ASP 650 H ASP 650 10.106 -2.230 4.173 211 HA ASP 650 HA ASP 650 9.203 -2.142 6.532 212 HB2 ASP 650 HB2 ASP 650 11.608 -1.639 5.769 213 HB3 ASP 650 HB3 ASP 650 11.202 0.050 6.045 214 H HIS 651 H HIS 651 10.071 1.219 6.418 215 HA HIS 651 HA HIS 651 7.936 2.141 7.954 216 HB2 HIS 651 HB2 HIS 651 9.794 3.623 6.088 217 HB3 HIS 651 HB3 HIS 651 8.636 4.437 7.133 218 HD1 HIS 651 HD1 HIS 651 11.984 2.939 7.107 219 HD2 HIS 651 HD2 HIS 651 9.187 4.100 9.952 220 HE1 HIS 651 HE1 HIS 651 13.242 3.047 9.282 221 HE2 HIS 651 HE2 HIS 651 11.530 3.752 10.991 222 H LYS 652 H LYS 652 8.368 2.008 4.533 223 HA LYS 652 HA LYS 652 6.426 3.552 3.449 224 HB2 LYS 652 HB2 LYS 652 7.924 1.198 2.573 225 HB3 LYS 652 HB3 LYS 652 6.455 1.539 1.666 226 HG2 LYS 652 HG2 LYS 652 7.258 3.845 1.297 227 HG3 LYS 652 HG3 LYS 652 8.755 3.429 2.131 228 HD2 LYS 652 HD2 LYS 652 9.309 1.809 0.446 229 HD3 LYS 652 HD3 LYS 652 7.739 2.020 -0.333 230 HE2 LYS 652 HE2 LYS 652 8.316 4.343 -0.850 231 HE3 LYS 652 HE3 LYS 652 9.884 4.125 -0.074 232 HZ1 LYS 652 HZ1 LYS 652 10.057 3.910 -2.467 233 HZ2 LYS 652 HZ2 LYS 652 8.918 2.660 -2.470 234 HZ3 LYS 652 HZ3 LYS 652 10.418 2.434 -1.721 235 H VAL 653 H VAL 653 5.807 0.489 5.044 236 HA VAL 653 HA VAL 653 3.609 -0.523 3.762 237 HB VAL 653 HB VAL 653 2.818 -1.363 6.043 238 HG11 VAL 653 HG11 VAL 653 5.689 -1.851 5.277 239 HG12 VAL 653 HG12 VAL 653 4.274 -2.699 4.653 240 HG13 VAL 653 HG13 VAL 653 4.729 -2.871 6.348 241 HG21 VAL 653 HG21 VAL 653 5.148 0.302 6.949 242 HG22 VAL 653 HG22 VAL 653 4.682 -1.154 7.828 243 HG23 VAL 653 HG23 VAL 653 3.534 0.171 7.650 244 H ASP 654 H ASP 654 3.084 1.473 6.687 245 HA ASP 654 HA ASP 654 0.525 2.286 5.683 246 HB2 ASP 654 HB2 ASP 654 0.404 3.711 7.762 247 HB3 ASP 654 HB3 ASP 654 0.445 1.967 7.972 248 H PHE 655 H PHE 655 3.660 3.347 5.482 249 HA PHE 655 HA PHE 655 3.470 6.167 5.617 250 HB2 PHE 655 HB2 PHE 655 5.571 4.245 5.330 251 HB3 PHE 655 HB3 PHE 655 5.761 5.537 4.146 252 HD1 PHE 655 HD1 PHE 655 5.688 4.704 7.711 253 HD2 PHE 655 HD2 PHE 655 6.222 7.797 4.835 254 HE1 PHE 655 HE1 PHE 655 6.637 6.157 9.454 255 HE2 PHE 655 HE2 PHE 655 7.174 9.254 6.574 256 HZ PHE 655 HZ PHE 655 7.382 8.435 8.887 257 H ILE 656 H ILE 656 3.264 3.820 2.971 258 HA ILE 656 HA ILE 656 3.781 5.316 0.806 259 HB ILE 656 HB ILE 656 1.383 4.203 -0.057 260 HG12 ILE 656 HG12 ILE 656 1.109 2.008 0.815 261 HG13 ILE 656 HG13 ILE 656 2.489 2.160 1.899 262 HG21 ILE 656 HG21 ILE 656 2.750 2.470 -1.029 263 HG22 ILE 656 HG22 ILE 656 3.995 2.670 0.195 264 HG23 ILE 656 HG23 ILE 656 3.724 3.938 -0.994 265 HD11 ILE 656 HD11 ILE 656 1.241 3.882 3.134 266 HD12 ILE 656 HD12 ILE 656 0.438 2.310 3.110 267 HD13 ILE 656 HD13 ILE 656 -0.119 3.603 2.049 268 H LEU 657 H LEU 657 0.400 5.323 2.200 269 HA LEU 657 HA LEU 657 -0.206 7.542 0.518 270 HB2 LEU 657 HB2 LEU 657 -2.211 6.650 0.758 271 HB3 LEU 657 HB3 LEU 657 -1.737 5.757 2.148 272 HG LEU 657 HG LEU 657 -2.155 7.990 3.462 273 HD11 LEU 657 HD11 LEU 657 -2.369 9.535 1.685 274 HD12 LEU 657 HD12 LEU 657 -3.983 9.336 2.369 275 HD13 LEU 657 HD13 LEU 657 -3.559 8.532 0.859 276 HD21 LEU 657 HD21 LEU 657 -4.808 7.413 2.929 277 HD22 LEU 657 HD22 LEU 657 -3.806 6.695 4.186 278 HD23 LEU 657 HD23 LEU 657 -3.966 5.898 2.620 279 H GLN 658 H GLN 658 0.580 7.324 3.964 280 HA GLN 658 HA GLN 658 -0.081 9.894 4.774 281 HB2 GLN 658 HB2 GLN 658 2.104 8.036 5.682 282 HB3 GLN 658 HB3 GLN 658 1.842 9.598 6.443 283 HG2 GLN 658 HG2 GLN 658 -0.451 8.934 6.996 284 HG3 GLN 658 HG3 GLN 658 -0.163 7.360 6.256 285 HE21 GLN 658 HE21 GLN 658 1.181 5.884 7.286 286 HE22 GLN 658 HE22 GLN 658 1.622 6.046 8.949 287 H ARG 659 H ARG 659 0.338 11.596 3.519 288 HA ARG 659 HA ARG 659 1.382 13.259 2.390 289 HB2 ARG 659 HB2 ARG 659 3.456 12.641 4.490 290 HB3 ARG 659 HB3 ARG 659 3.627 13.985 3.371 291 HG2 ARG 659 HG2 ARG 659 1.582 14.982 4.210 292 HG3 ARG 659 HG3 ARG 659 1.327 13.604 5.281 293 HD2 ARG 659 HD2 ARG 659 2.260 15.303 6.627 294 HD3 ARG 659 HD3 ARG 659 3.566 14.161 6.318 295 HE ARG 659 HE ARG 659 3.501 16.327 4.439 296 HH11 ARG 659 HH11 ARG 659 4.659 15.394 7.621 297 HH12 ARG 659 HH12 ARG 659 5.939 16.560 7.623 298 HH21 ARG 659 HH21 ARG 659 5.184 17.845 4.464 299 HH22 ARG 659 HH22 ARG 659 6.236 17.946 5.836 300 H GLU 660 H GLU 660 1.395 11.582 0.591 301 HA GLU 660 HA GLU 660 3.918 11.714 -0.784 302 HB2 GLU 660 HB2 GLU 660 3.031 9.202 0.511 303 HB3 GLU 660 HB3 GLU 660 3.590 9.044 -1.145 304 HG2 GLU 660 HG2 GLU 660 5.748 9.559 -0.612 305 HG3 GLU 660 HG3 GLU 660 5.279 10.599 0.731 306 HA PRO 661 HA PRO 661 1.683 11.730 -4.677 307 HB2 PRO 661 HB2 PRO 661 2.550 9.266 -5.811 308 HB3 PRO 661 HB3 PRO 661 3.203 10.879 -6.113 309 HG2 PRO 661 HG2 PRO 661 4.165 8.785 -4.243 310 HG3 PRO 661 HG3 PRO 661 5.086 10.001 -5.151 311 HD2 PRO 661 HD2 PRO 661 4.733 10.300 -2.554 312 HD3 PRO 661 HD3 PRO 661 4.579 11.700 -3.635 313 H TYR 662 H TYR 662 0.249 10.417 -6.179 314 HA TYR 662 HA TYR 662 -2.000 9.503 -4.786 315 HB2 TYR 662 HB2 TYR 662 -1.271 9.309 -7.700 316 HB3 TYR 662 HB3 TYR 662 -2.842 8.844 -7.059 317 HD1 TYR 662 HD1 TYR 662 -0.609 11.648 -7.808 318 HD2 TYR 662 HD2 TYR 662 -4.416 10.522 -6.278 319 HE1 TYR 662 HE1 TYR 662 -1.368 13.979 -7.998 320 HE2 TYR 662 HE2 TYR 662 -5.186 12.850 -6.465 321 HH TYR 662 HH TYR 662 -3.484 15.217 -8.198 322 H CYS 663 H CYS 663 0.482 7.612 -6.515 323 HA CYS 663 HA CYS 663 -0.770 5.100 -6.437 324 HB2 CYS 663 HB2 CYS 663 2.212 5.522 -6.227 325 HB3 CYS 663 HB3 CYS 663 1.361 4.166 -6.958 326 HG CYS 663 HG CYS 663 1.165 5.141 -9.334 327 H ARG 664 H ARG 664 1.389 6.634 -4.104 328 HA ARG 664 HA ARG 664 1.377 4.442 -2.288 329 HB2 ARG 664 HB2 ARG 664 2.281 7.282 -1.769 330 HB3 ARG 664 HB3 ARG 664 2.697 5.858 -0.809 331 HG2 ARG 664 HG2 ARG 664 3.775 4.968 -2.973 332 HG3 ARG 664 HG3 ARG 664 3.639 6.617 -3.574 333 HD2 ARG 664 HD2 ARG 664 4.997 7.436 -1.754 334 HD3 ARG 664 HD3 ARG 664 5.048 5.834 -1.027 335 HE ARG 664 HE ARG 664 6.056 5.610 -3.609 336 HH11 ARG 664 HH11 ARG 664 6.971 7.198 -0.613 337 HH12 ARG 664 HH12 ARG 664 8.666 7.136 -0.964 338 HH21 ARG 664 HH21 ARG 664 8.279 5.539 -4.047 339 HH22 ARG 664 HH22 ARG 664 9.405 6.197 -2.907 340 H ASP 665 H ASP 665 -0.251 7.469 -2.704 341 HA ASP 665 HA ASP 665 -1.706 7.859 -0.417 342 HB2 ASP 665 HB2 ASP 665 -1.558 9.226 -2.607 343 HB3 ASP 665 HB3 ASP 665 -2.948 8.270 -3.111 344 H ILE 666 H ILE 666 -2.255 5.419 -2.889 345 HA ILE 666 HA ILE 666 -5.005 4.975 -2.083 346 HB ILE 666 HB ILE 666 -4.997 3.153 -3.854 347 HG12 ILE 666 HG12 ILE 666 -3.318 3.984 -5.775 348 HG13 ILE 666 HG13 ILE 666 -2.322 4.345 -4.368 349 HG21 ILE 666 HG21 ILE 666 -5.441 4.759 -5.653 350 HG22 ILE 666 HG22 ILE 666 -4.694 6.029 -4.683 351 HG23 ILE 666 HG23 ILE 666 -6.167 5.240 -4.119 352 HD11 ILE 666 HD11 ILE 666 -1.942 2.108 -5.395 353 HD12 ILE 666 HD12 ILE 666 -3.566 1.660 -4.873 354 HD13 ILE 666 HD13 ILE 666 -2.339 2.083 -3.679 355 H ASN 667 H ASN 667 -1.849 3.694 -2.037 356 HA ASN 667 HA ASN 667 -2.115 1.135 -1.192 357 HB2 ASN 667 HB2 ASN 667 -0.187 3.317 -0.890 358 HB3 ASN 667 HB3 ASN 667 0.073 1.902 0.093 359 HD21 ASN 667 HD21 ASN 667 1.735 0.940 -0.820 360 HD22 ASN 667 HD22 ASN 667 1.843 0.485 -2.482 361 H GLN 668 H GLN 668 -1.564 3.800 1.326 362 HA GLN 668 HA GLN 668 -2.279 1.963 3.458 363 HB2 GLN 668 HB2 GLN 668 -0.953 4.296 3.679 364 HB3 GLN 668 HB3 GLN 668 -2.574 4.905 3.966 365 HG2 GLN 668 HG2 GLN 668 -1.826 2.604 5.589 366 HG3 GLN 668 HG3 GLN 668 -0.888 4.062 5.866 367 HE21 GLN 668 HE21 GLN 668 -1.838 5.849 6.744 368 HE22 GLN 668 HE22 GLN 668 -3.422 5.837 7.432 369 H LEU 669 H LEU 669 -3.821 4.471 1.627 370 HA LEU 669 HA LEU 669 -6.286 4.754 2.809 371 HB2 LEU 669 HB2 LEU 669 -4.926 5.622 0.596 372 HB3 LEU 669 HB3 LEU 669 -6.180 4.633 -0.135 373 HG LEU 669 HG LEU 669 -6.899 6.794 1.840 374 HD11 LEU 669 HD11 LEU 669 -6.629 7.102 -1.147 375 HD12 LEU 669 HD12 LEU 669 -5.559 7.815 0.058 376 HD13 LEU 669 HD13 LEU 669 -7.249 8.311 -0.023 377 HD21 LEU 669 HD21 LEU 669 -8.632 5.153 1.302 378 HD22 LEU 669 HD22 LEU 669 -8.425 5.489 -0.417 379 HD23 LEU 669 HD23 LEU 669 -9.041 6.744 0.659 380 H SER 670 H SER 670 -5.601 2.691 -0.017 381 HA SER 670 HA SER 670 -8.046 1.249 0.198 382 HB2 SER 670 HB2 SER 670 -6.842 1.672 -1.956 383 HB3 SER 670 HB3 SER 670 -5.635 0.487 -1.457 384 HG SER 670 HG SER 670 -6.938 -0.975 -2.187 385 H GLU 671 H GLU 671 -4.593 0.144 0.747 386 HA GLU 671 HA GLU 671 -5.592 -2.396 1.659 387 HB2 GLU 671 HB2 GLU 671 -3.292 -1.904 0.598 388 HB3 GLU 671 HB3 GLU 671 -2.807 -1.434 2.220 389 HG2 GLU 671 HG2 GLU 671 -3.967 -4.123 1.530 390 HG3 GLU 671 HG3 GLU 671 -2.239 -3.782 1.591 391 H ALA 672 H ALA 672 -3.632 0.054 3.496 392 HA ALA 672 HA ALA 672 -4.108 -1.134 5.971 393 HB1 ALA 672 HB1 ALA 672 -3.392 0.890 7.002 394 HB2 ALA 672 HB2 ALA 672 -3.713 1.789 5.519 395 HB3 ALA 672 HB3 ALA 672 -2.439 0.566 5.554 396 H LEU 673 H LEU 673 -6.280 1.331 4.454 397 HA LEU 673 HA LEU 673 -7.840 1.610 6.846 398 HB2 LEU 673 HB2 LEU 673 -7.609 3.215 4.804 399 HB3 LEU 673 HB3 LEU 673 -8.921 2.267 4.137 400 HG LEU 673 HG LEU 673 -9.293 3.381 6.876 401 HD11 LEU 673 HD11 LEU 673 -10.045 5.522 5.952 402 HD12 LEU 673 HD12 LEU 673 -9.459 5.035 4.362 403 HD13 LEU 673 HD13 LEU 673 -8.321 5.263 5.690 404 HD21 LEU 673 HD21 LEU 673 -11.593 3.626 6.078 405 HD22 LEU 673 HD22 LEU 673 -11.011 1.976 5.856 406 HD23 LEU 673 HD23 LEU 673 -11.100 3.073 4.478 407 H LEU 674 H LEU 674 -8.239 -0.339 3.892 408 HA LEU 674 HA LEU 674 -10.839 -1.312 4.532 409 HB2 LEU 674 HB2 LEU 674 -9.504 -1.296 2.272 410 HB3 LEU 674 HB3 LEU 674 -8.940 -2.861 2.818 411 HG LEU 674 HG LEU 674 -11.548 -3.291 3.126 412 HD11 LEU 674 HD11 LEU 674 -12.864 -2.228 1.410 413 HD12 LEU 674 HD12 LEU 674 -11.463 -1.312 0.854 414 HD13 LEU 674 HD13 LEU 674 -12.150 -0.992 2.446 415 HD21 LEU 674 HD21 LEU 674 -10.083 -3.400 0.493 416 HD22 LEU 674 HD22 LEU 674 -11.552 -4.294 0.887 417 HD23 LEU 674 HD23 LEU 674 -10.055 -4.629 1.757 418 H SER 675 H SER 675 -7.582 -2.603 5.071 419 HA SER 675 HA SER 675 -8.403 -5.116 6.127 420 HB2 SER 675 HB2 SER 675 -6.153 -4.632 5.129 421 HB3 SER 675 HB3 SER 675 -5.765 -3.707 6.579 422 HG SER 675 HG SER 675 -6.732 -6.177 7.173 423 H LEU 676 H LEU 676 -7.504 -2.030 7.627 424 HA LEU 676 HA LEU 676 -7.594 -2.964 10.321 425 HB2 LEU 676 HB2 LEU 676 -6.405 -0.891 9.321 426 HB3 LEU 676 HB3 LEU 676 -7.952 -0.094 9.513 427 HG LEU 676 HG LEU 676 -7.722 -0.956 12.003 428 HD11 LEU 676 HD11 LEU 676 -5.401 -0.904 12.771 429 HD12 LEU 676 HD12 LEU 676 -4.850 -0.770 11.101 430 HD13 LEU 676 HD13 LEU 676 -5.677 -2.231 11.641 431 HD21 LEU 676 HD21 LEU 676 -6.666 1.185 12.577 432 HD22 LEU 676 HD22 LEU 676 -7.920 1.371 11.350 433 HD23 LEU 676 HD23 LEU 676 -6.219 1.406 10.885 434 H ASN 677 H ASN 677 -9.933 -1.269 8.246 435 HA ASN 677 HA ASN 677 -11.897 -0.908 10.288 436 HB2 ASN 677 HB2 ASN 677 -11.575 0.355 8.019 437 HB3 ASN 677 HB3 ASN 677 -12.575 -0.937 7.363 438 HD21 ASN 677 HD21 ASN 677 -14.728 -1.097 7.994 439 HD22 ASN 677 HD22 ASN 677 -15.559 0.210 8.759 440 H PHE 678 H PHE 678 -11.702 -3.166 7.515 441 HA PHE 678 HA PHE 678 -14.022 -4.646 8.280 442 HB2 PHE 678 HB2 PHE 678 -11.848 -5.094 6.248 443 HB3 PHE 678 HB3 PHE 678 -13.088 -6.308 6.545 444 HD1 PHE 678 HD1 PHE 678 -12.430 -2.932 5.261 445 HD2 PHE 678 HD2 PHE 678 -15.345 -5.982 5.822 446 HE1 PHE 678 HE1 PHE 678 -13.946 -1.763 3.716 447 HE2 PHE 678 HE2 PHE 678 -16.865 -4.819 4.277 448 HZ PHE 678 HZ PHE 678 -16.166 -2.707 3.221
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