NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652767 | 6yi2 | 50218 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 645 HT1 ARG 645 23.591 1.680 19.463 2 H2 ARG 645 HT2 ARG 645 24.750 2.181 18.345 3 H3 ARG 645 HT3 ARG 645 23.113 2.498 18.065 4 HA ARG 645 HA ARG 645 24.691 3.589 20.315 5 HB2 ARG 645 HB2 ARG 645 24.496 5.762 19.086 6 HB3 ARG 645 HB1 ARG 645 25.537 4.578 18.309 7 HG2 ARG 645 HG2 ARG 645 23.830 4.063 16.696 8 HG3 ARG 645 HG1 ARG 645 22.678 5.108 17.527 9 HD2 ARG 645 HD2 ARG 645 23.688 6.136 15.503 10 HD3 ARG 645 HD1 ARG 645 23.959 7.059 16.978 11 HE ARG 645 HE ARG 645 26.224 5.923 16.982 12 HH11 ARG 645 HH11 ARG 645 24.459 6.621 14.039 13 HH12 ARG 645 HH12 ARG 645 25.887 6.740 13.065 14 HH21 ARG 645 HH21 ARG 645 28.108 6.113 15.699 15 HH22 ARG 645 HH22 ARG 645 27.957 6.460 14.006 16 H LEU 646 HN LEU 646 22.121 2.256 20.389 17 HA LEU 646 HA LEU 646 20.041 2.483 21.250 18 HB2 LEU 646 HB2 LEU 646 21.469 3.395 23.093 19 HB3 LEU 646 HB1 LEU 646 21.155 5.006 22.476 20 HG LEU 646 HG LEU 646 18.707 4.588 22.862 21 HD11 LEU 646 HD11 LEU 646 18.093 2.789 24.404 22 HD12 LEU 646 HD12 LEU 646 19.746 2.179 24.345 23 HD13 LEU 646 HD13 LEU 646 18.746 2.159 22.894 24 HD21 LEU 646 HD21 LEU 646 20.041 5.915 24.403 25 HD22 LEU 646 HD22 LEU 646 20.519 4.453 25.265 26 HD23 LEU 646 HD23 LEU 646 18.832 4.968 25.271 27 H ARG 647 HN ARG 647 19.914 3.195 18.722 28 HA ARG 647 HA ARG 647 19.020 5.858 18.261 29 HB2 ARG 647 HB2 ARG 647 18.358 5.065 16.055 30 HB3 ARG 647 HB1 ARG 647 19.960 4.475 16.463 31 HG2 ARG 647 HG2 ARG 647 19.068 2.288 16.962 32 HG3 ARG 647 HG1 ARG 647 17.424 2.867 16.687 33 HD2 ARG 647 HD2 ARG 647 17.988 3.349 14.356 34 HD3 ARG 647 HD1 ARG 647 19.629 2.770 14.633 35 HE ARG 647 HE ARG 647 18.240 0.626 15.335 36 HH11 ARG 647 HH11 ARG 647 17.864 2.733 12.564 37 HH12 ARG 647 HH12 ARG 647 17.222 1.485 11.544 38 HH21 ARG 647 HH21 ARG 647 17.393 -1.021 13.992 39 HH22 ARG 647 HH22 ARG 647 16.944 -0.642 12.358 40 H ALA 648 HN ALA 648 16.964 6.683 18.114 41 HA ALA 648 HA ALA 648 14.950 5.193 19.586 42 HB1 ALA 648 HB1 ALA 648 14.892 8.029 18.565 43 HB2 ALA 648 HB2 ALA 648 15.394 7.525 20.179 44 HB3 ALA 648 HB3 ALA 648 13.724 7.292 19.662 45 H THR 649 HN THR 649 14.680 3.629 17.838 46 HA THR 649 HA THR 649 13.004 4.653 15.653 47 HB THR 649 HB THR 649 15.020 3.388 14.944 48 HG1 THR 649 HG1 THR 649 13.846 2.730 13.315 49 HG21 THR 649 HG21 THR 649 13.687 1.059 16.329 50 HG22 THR 649 HG22 THR 649 15.190 1.837 16.823 51 HG23 THR 649 HG23 THR 649 15.112 0.958 15.295 52 H VAL 650 HN VAL 650 11.473 2.653 14.929 53 HA VAL 650 HA VAL 650 9.553 2.491 17.024 54 HB VAL 650 HB VAL 650 8.248 1.088 15.435 55 HG11 VAL 650 HG11 VAL 650 9.406 3.612 14.255 56 HG12 VAL 650 HG12 VAL 650 8.061 3.520 15.390 57 HG13 VAL 650 HG13 VAL 650 7.894 2.845 13.770 58 HG21 VAL 650 HG21 VAL 650 9.083 0.791 13.143 59 HG22 VAL 650 HG22 VAL 650 10.078 -0.064 14.321 60 HG23 VAL 650 HG23 VAL 650 10.640 1.459 13.633 61 H SER 651 HN SER 651 9.050 0.859 18.377 62 HA SER 651 HA SER 651 10.964 -1.307 18.616 63 HB2 SER 651 HB2 SER 651 8.586 -0.577 20.346 64 HB3 SER 651 HB1 SER 651 9.786 -1.813 20.727 65 HG SER 651 HG SER 651 11.262 0.199 20.285 66 H ARG 652 HN ARG 652 7.970 -0.753 17.173 67 HA ARG 652 HA ARG 652 7.035 -3.473 17.229 68 HB2 ARG 652 HB2 ARG 652 5.563 -1.430 16.961 69 HB3 ARG 652 HB1 ARG 652 6.224 -1.251 15.343 70 HG2 ARG 652 HG2 ARG 652 4.122 -2.336 15.148 71 HG3 ARG 652 HG1 ARG 652 5.366 -3.544 14.828 72 HD2 ARG 652 HD2 ARG 652 5.152 -4.374 17.117 73 HD3 ARG 652 HD1 ARG 652 3.925 -3.154 17.449 74 HE ARG 652 HE ARG 652 3.370 -4.967 15.246 75 HH11 ARG 652 HH11 ARG 652 2.875 -4.188 18.625 76 HH12 ARG 652 HH12 ARG 652 1.459 -5.177 18.773 77 HH21 ARG 652 HH21 ARG 652 1.506 -6.268 15.443 78 HH22 ARG 652 HH22 ARG 652 0.682 -6.360 16.967 79 HA PRO 653 HA PRO 653 9.771 -4.774 13.924 80 HB2 PRO 653 HB2 PRO 653 8.013 -7.091 13.598 81 HB3 PRO 653 HB1 PRO 653 9.692 -7.033 14.135 82 HG2 PRO 653 HG2 PRO 653 7.662 -7.638 15.808 83 HG3 PRO 653 HG1 PRO 653 9.117 -6.778 16.346 84 HD2 PRO 653 HD2 PRO 653 6.401 -5.690 15.699 85 HD3 PRO 653 HD1 PRO 653 7.504 -5.264 17.026 86 H VAL 654 HN VAL 654 8.496 -2.868 12.851 87 HA VAL 654 HA VAL 654 7.311 -3.958 10.406 88 HB VAL 654 HB VAL 654 5.428 -3.252 11.808 89 HG11 VAL 654 HG11 VAL 654 6.742 -0.538 11.808 90 HG12 VAL 654 HG12 VAL 654 6.536 -1.604 13.198 91 HG13 VAL 654 HG13 VAL 654 5.126 -0.892 12.415 92 HG21 VAL 654 HG21 VAL 654 5.224 -2.992 9.398 93 HG22 VAL 654 HG22 VAL 654 5.927 -1.378 9.497 94 HG23 VAL 654 HG23 VAL 654 4.359 -1.704 10.235 95 H SER 655 HN SER 655 7.984 -2.950 8.593 96 HA SER 655 HA SER 655 10.142 -1.112 8.690 97 HB2 SER 655 HB2 SER 655 9.707 -2.797 6.854 98 HB3 SER 655 HB1 SER 655 8.382 -1.770 6.312 99 HG SER 655 HG SER 655 9.862 -0.778 5.209 100 H HIS 656 HN HIS 656 10.076 1.073 8.812 101 HA HIS 656 HA HIS 656 7.578 2.366 9.174 102 HB2 HIS 656 HB2 HIS 656 8.880 4.474 9.324 103 HB3 HIS 656 HB1 HIS 656 9.505 3.211 10.372 104 HD1 HIS 656 HD1 HIS 656 10.406 5.328 7.432 105 HD2 HIS 656 HD2 HIS 656 12.077 2.268 9.692 106 HE1 HIS 656 HE1 HIS 656 12.835 5.273 6.805 107 HE2 HIS 656 HE2 HIS 656 13.760 3.266 8.005 108 H GLN 657 HN GLN 657 6.240 2.435 7.533 109 HA GLN 657 HA GLN 657 7.228 3.352 4.925 110 HB2 GLN 657 HB2 GLN 657 4.732 1.823 5.681 111 HB3 GLN 657 HB1 GLN 657 5.068 2.416 4.060 112 HG2 GLN 657 HG2 GLN 657 7.018 1.009 3.903 113 HG3 GLN 657 HG1 GLN 657 6.811 0.482 5.572 114 HE21 GLN 657 HE21 GLN 657 5.584 0.269 2.324 115 HE22 GLN 657 HE22 GLN 657 4.600 -1.129 2.578 116 H ARG 658 HN ARG 658 6.419 5.156 3.997 117 HA ARG 658 HA ARG 658 4.058 6.487 4.809 118 HB2 ARG 658 HB2 ARG 658 5.092 8.482 5.829 119 HB3 ARG 658 HB1 ARG 658 5.364 7.041 6.799 120 HG2 ARG 658 HG2 ARG 658 7.627 6.864 5.779 121 HG3 ARG 658 HG1 ARG 658 7.336 8.415 4.987 122 HD2 ARG 658 HD2 ARG 658 7.297 7.930 7.961 123 HD3 ARG 658 HD1 ARG 658 8.631 8.649 7.064 124 HE ARG 658 HE ARG 658 6.275 10.108 6.566 125 HH11 ARG 658 HH11 ARG 658 8.542 9.465 9.148 126 HH12 ARG 658 HH12 ARG 658 8.320 11.008 9.905 127 HH21 ARG 658 HH21 ARG 658 5.961 12.133 7.561 128 HH22 ARG 658 HH22 ARG 658 6.842 12.526 9.003 129 H MET 659 HN MET 659 3.890 8.631 3.713 130 HA MET 659 HA MET 659 4.883 8.412 1.042 131 HB2 MET 659 HB2 MET 659 2.628 9.313 1.624 132 HB3 MET 659 HB1 MET 659 3.409 10.718 2.335 133 HG2 MET 659 HG2 MET 659 4.363 11.283 0.153 134 HG3 MET 659 HG1 MET 659 3.553 9.885 -0.554 135 HE1 MET 659 HE1 MET 659 0.731 9.898 0.927 136 HE2 MET 659 HE2 MET 659 0.938 9.646 -0.805 137 HE3 MET 659 HE3 MET 659 -0.224 10.839 -0.220 138 H GLY 660 HN GLY 660 7.041 8.669 0.914 139 HA2 GLY 660 HA2 GLY 660 8.553 10.697 0.537 140 HA3 GLY 660 HA1 GLY 660 8.245 11.008 2.240 141 H THR 661 HN THR 661 8.339 7.705 1.613 142 HA THR 661 HA THR 661 10.800 7.344 3.003 143 HB THR 661 HB THR 661 10.445 4.903 2.244 144 HG1 THR 661 HG1 THR 661 8.701 4.472 1.099 145 HG21 THR 661 HG21 THR 661 8.340 6.280 3.911 146 HG22 THR 661 HG22 THR 661 9.910 5.715 4.485 147 HG23 THR 661 HG23 THR 661 8.704 4.555 3.928 148 HA PRO 662 HA PRO 662 13.589 7.384 -0.454 149 HB2 PRO 662 HB2 PRO 662 15.662 6.040 0.637 150 HB3 PRO 662 HB1 PRO 662 15.239 7.685 1.127 151 HG2 PRO 662 HG2 PRO 662 14.590 5.085 2.463 152 HG3 PRO 662 HG1 PRO 662 15.149 6.603 3.187 153 HD2 PRO 662 HD2 PRO 662 12.544 5.837 3.196 154 HD3 PRO 662 HD1 PRO 662 13.050 7.539 3.156 155 H MET 663 HN MET 663 11.605 5.536 -0.834 156 HA MET 663 HA MET 663 12.871 2.965 -1.382 157 HB2 MET 663 HB2 MET 663 10.664 2.879 -0.374 158 HB3 MET 663 HB1 MET 663 10.006 3.911 -1.634 159 HG2 MET 663 HG2 MET 663 10.446 2.158 -3.287 160 HG3 MET 663 HG1 MET 663 11.075 1.122 -2.007 161 HE1 MET 663 HE1 MET 663 8.682 0.416 -4.110 162 HE2 MET 663 HE2 MET 663 7.605 -0.474 -3.035 163 HE3 MET 663 HE3 MET 663 9.347 -0.729 -2.947 164 H VAL 664 HN VAL 664 13.594 2.419 -3.329 165 HA VAL 664 HA VAL 664 13.679 4.284 -5.452 166 HB VAL 664 HB VAL 664 14.217 1.310 -5.590 167 HG11 VAL 664 HG11 VAL 664 13.998 2.292 -7.782 168 HG12 VAL 664 HG12 VAL 664 15.697 1.938 -7.467 169 HG13 VAL 664 HG13 VAL 664 15.103 3.594 -7.344 170 HG21 VAL 664 HG21 VAL 664 15.546 2.338 -3.826 171 HG22 VAL 664 HG22 VAL 664 16.105 3.577 -4.951 172 HG23 VAL 664 HG23 VAL 664 16.566 1.893 -5.194 173 H GLU 665 HN GLU 665 12.311 4.657 -7.055 174 HA GLU 665 HA GLU 665 10.418 4.667 -8.283 175 HB2 GLU 665 HB2 GLU 665 10.680 1.667 -8.028 176 HB3 GLU 665 HB1 GLU 665 9.577 2.485 -9.126 177 HG2 GLU 665 HG2 GLU 665 11.530 3.558 -10.207 178 HG3 GLU 665 HG1 GLU 665 12.583 2.602 -9.171 179 H ASN 666 HN ASN 666 10.038 5.221 -5.674 180 HA ASN 666 HA ASN 666 7.977 3.739 -4.422 181 HB2 ASN 666 HB2 ASN 666 7.700 5.638 -2.952 182 HB3 ASN 666 HB1 ASN 666 9.420 5.416 -3.247 183 HD21 ASN 666 HD21 ASN 666 10.542 6.937 -4.432 184 HD22 ASN 666 HD22 ASN 666 9.888 8.495 -4.805 185 H ASP 667 HN ASP 667 5.753 4.114 -4.349 186 HA ASP 667 HA ASP 667 4.691 5.006 -6.874 187 HB2 ASP 667 HB2 ASP 667 2.619 4.047 -6.176 188 HB3 ASP 667 HB1 ASP 667 3.885 2.950 -5.627 189 H SER 668 HN SER 668 3.122 6.589 -7.156 190 HA SER 668 HA SER 668 2.853 8.543 -4.968 191 HB2 SER 668 HB2 SER 668 2.557 8.961 -7.958 192 HB3 SER 668 HB1 SER 668 2.400 10.210 -6.721 193 HG SER 668 HG SER 668 4.718 8.902 -6.392 194 H GLY 669 HN GLY 669 1.386 6.126 -5.199 195 HA2 GLY 669 HA2 GLY 669 -1.132 6.402 -4.642 196 HA3 GLY 669 HA1 GLY 669 -1.206 6.877 -6.336 197 H TYR 670 HN TYR 670 -1.887 4.411 -4.458 198 HA TYR 670 HA TYR 670 -0.497 2.227 -5.581 199 HB2 TYR 670 HB2 TYR 670 -3.072 2.408 -4.026 200 HB3 TYR 670 HB1 TYR 670 -2.342 0.879 -4.502 201 HD1 TYR 670 HD1 TYR 670 -0.453 0.002 -3.322 202 HD2 TYR 670 HD2 TYR 670 -1.887 3.908 -2.433 203 HE1 TYR 670 HE1 TYR 670 0.959 0.057 -1.310 204 HE2 TYR 670 HE2 TYR 670 -0.481 3.974 -0.419 205 HH TYR 670 HH TYR 670 2.027 1.903 0.143 206 H LYS 671 HN LYS 671 -1.134 0.688 -7.065 207 HA LYS 671 HA LYS 671 -3.049 1.696 -9.054 208 HB2 LYS 671 HB2 LYS 671 -0.727 -0.212 -9.424 209 HB3 LYS 671 HB1 LYS 671 -1.754 0.429 -10.699 210 HG2 LYS 671 HG2 LYS 671 -0.938 2.670 -10.276 211 HG3 LYS 671 HG1 LYS 671 0.034 2.082 -8.926 212 HD2 LYS 671 HD2 LYS 671 1.303 0.663 -10.491 213 HD3 LYS 671 HD1 LYS 671 0.357 1.319 -11.828 214 HE2 LYS 671 HE2 LYS 671 1.187 3.563 -11.306 215 HE3 LYS 671 HE1 LYS 671 2.135 2.903 -9.974 216 HZ1 LYS 671 HZ1 LYS 671 3.386 1.585 -11.570 217 HZ2 LYS 671 HZ2 LYS 671 3.491 3.231 -11.939 218 HZ3 LYS 671 HZ3 LYS 671 2.480 2.227 -12.845 219 H LEU 672 HN LEU 672 -4.414 0.177 -10.133 220 HA LEU 672 HA LEU 672 -5.467 -1.756 -8.297 221 HB2 LEU 672 HB2 LEU 672 -6.282 -1.174 -11.142 222 HB3 LEU 672 HB1 LEU 672 -7.192 -2.129 -9.987 223 HG LEU 672 HG LEU 672 -6.679 0.840 -9.909 224 HD11 LEU 672 HD11 LEU 672 -9.107 0.982 -9.974 225 HD12 LEU 672 HD12 LEU 672 -9.216 -0.776 -10.033 226 HD13 LEU 672 HD13 LEU 672 -8.485 0.106 -11.372 227 HD21 LEU 672 HD21 LEU 672 -7.967 0.849 -7.814 228 HD22 LEU 672 HD22 LEU 672 -6.430 0.002 -7.659 229 HD23 LEU 672 HD23 LEU 672 -7.930 -0.915 -7.803 230 H GLY 673 HN GLY 673 -5.387 -3.913 -8.360 231 HA2 GLY 673 HA2 GLY 673 -4.967 -6.027 -9.336 232 HA3 GLY 673 HA1 GLY 673 -4.058 -5.232 -10.611 233 H GLN 674 HN GLN 674 -3.032 -3.760 -7.919 234 HA GLN 674 HA GLN 674 -0.575 -5.259 -7.854 235 HB2 GLN 674 HB2 GLN 674 -0.643 -2.776 -7.688 236 HB3 GLN 674 HB1 GLN 674 -1.452 -2.930 -6.138 237 HG2 GLN 674 HG2 GLN 674 0.894 -2.458 -5.824 238 HG3 GLN 674 HG1 GLN 674 0.503 -4.065 -5.220 239 HE21 GLN 674 HE21 GLN 674 0.866 -3.303 -8.619 240 HE22 GLN 674 HE22 GLN 674 2.314 -4.210 -8.857 241 H ARG 675 HN ARG 675 0.272 -6.374 -6.135 242 HA ARG 675 HA ARG 675 -1.711 -7.494 -4.298 243 HB2 ARG 675 HB2 ARG 675 1.107 -8.487 -4.674 244 HB3 ARG 675 HB1 ARG 675 -0.284 -9.370 -4.069 245 HG2 ARG 675 HG2 ARG 675 0.088 -8.451 -6.910 246 HG3 ARG 675 HG1 ARG 675 0.407 -10.078 -6.314 247 HD2 ARG 675 HD2 ARG 675 -1.949 -10.321 -5.710 248 HD3 ARG 675 HD1 ARG 675 -2.268 -8.683 -6.288 249 HE ARG 675 HE ARG 675 -1.103 -9.983 -8.407 250 HH11 ARG 675 HH11 ARG 675 -3.981 -10.450 -6.460 251 HH12 ARG 675 HH12 ARG 675 -4.857 -11.239 -7.735 252 HH21 ARG 675 HH21 ARG 675 -2.264 -11.017 -10.079 253 HH22 ARG 675 HH22 ARG 675 -3.881 -11.576 -9.777 254 H VAL 676 HN VAL 676 -1.655 -6.981 -2.182 255 HA VAL 676 HA VAL 676 0.688 -5.456 -1.239 256 HB VAL 676 HB VAL 676 -0.812 -4.245 0.270 257 HG11 VAL 676 HG11 VAL 676 -1.920 -2.860 -1.410 258 HG12 VAL 676 HG12 VAL 676 -1.653 -4.115 -2.620 259 HG13 VAL 676 HG13 VAL 676 -0.278 -3.280 -1.896 260 HG21 VAL 676 HG21 VAL 676 -3.228 -4.410 0.039 261 HG22 VAL 676 HG22 VAL 676 -2.539 -5.971 0.499 262 HG23 VAL 676 HG23 VAL 676 -3.037 -5.681 -1.170 263 H ARG 677 HN ARG 677 1.009 -5.491 1.095 264 HA ARG 677 HA ARG 677 0.158 -7.983 2.387 265 HB2 ARG 677 HB2 ARG 677 2.429 -8.069 1.136 266 HB3 ARG 677 HB1 ARG 677 3.016 -7.048 2.435 267 HG2 ARG 677 HG2 ARG 677 2.379 -8.785 4.055 268 HG3 ARG 677 HG1 ARG 677 1.864 -9.812 2.709 269 HD2 ARG 677 HD2 ARG 677 4.100 -9.820 1.807 270 HD3 ARG 677 HD1 ARG 677 4.641 -8.694 3.047 271 HE ARG 677 HE ARG 677 3.564 -11.216 4.001 272 HH11 ARG 677 HH11 ARG 677 6.384 -9.337 3.150 273 HH12 ARG 677 HH12 ARG 677 7.488 -10.349 4.022 274 HH21 ARG 677 HH21 ARG 677 5.016 -12.566 5.157 275 HH22 ARG 677 HH22 ARG 677 6.710 -12.190 5.163 276 H HIS 678 HN HIS 678 -0.524 -7.561 4.414 277 HA HIS 678 HA HIS 678 0.839 -5.517 6.003 278 HB2 HIS 678 HB2 HIS 678 -1.630 -4.978 4.750 279 HB3 HIS 678 HB1 HIS 678 -2.001 -5.273 6.446 280 HD1 HIS 678 HD1 HIS 678 -2.353 -2.951 7.344 281 HD2 HIS 678 HD2 HIS 678 1.103 -3.269 5.051 282 HE1 HIS 678 HE1 HIS 678 -1.194 -0.737 7.551 283 HE2 HIS 678 HE2 HIS 678 0.793 -0.892 6.013 284 H ALA 679 HN ALA 679 1.023 -6.112 8.091 285 HA ALA 679 HA ALA 679 0.382 -8.765 8.829 286 HB1 ALA 679 HB1 ALA 679 1.222 -6.481 10.598 287 HB2 ALA 679 HB2 ALA 679 2.317 -7.529 9.698 288 HB3 ALA 679 HB3 ALA 679 1.319 -8.198 10.989 289 H LYS 680 HN LYS 680 -1.474 -5.949 8.908 290 HA LYS 680 HA LYS 680 -3.075 -6.643 11.205 291 HB2 LYS 680 HB2 LYS 680 -3.171 -4.447 9.166 292 HB3 LYS 680 HB1 LYS 680 -4.533 -4.720 10.239 293 HG2 LYS 680 HG2 LYS 680 -3.154 -2.986 11.141 294 HG3 LYS 680 HG1 LYS 680 -3.028 -4.410 12.172 295 HD2 LYS 680 HD2 LYS 680 -0.890 -4.975 11.166 296 HD3 LYS 680 HD1 LYS 680 -1.026 -3.601 10.067 297 HE2 LYS 680 HE2 LYS 680 0.444 -3.125 11.980 298 HE3 LYS 680 HE1 LYS 680 -0.957 -2.059 11.927 299 HZ1 LYS 680 HZ1 LYS 680 -0.497 -2.865 14.163 300 HZ2 LYS 680 HZ2 LYS 680 -0.701 -4.462 13.650 301 HZ3 LYS 680 HZ3 LYS 680 -2.010 -3.393 13.625 302 H PHE 681 HN PHE 681 -3.354 -6.927 7.702 303 HA PHE 681 HA PHE 681 -6.006 -8.149 8.089 304 HB2 PHE 681 HB2 PHE 681 -5.120 -6.317 5.855 305 HB3 PHE 681 HB1 PHE 681 -6.669 -7.148 5.915 306 HD1 PHE 681 HD1 PHE 681 -7.918 -6.749 8.291 307 HD2 PHE 681 HD2 PHE 681 -5.141 -4.108 6.437 308 HE1 PHE 681 HE1 PHE 681 -8.872 -4.865 9.550 309 HE2 PHE 681 HE2 PHE 681 -6.089 -2.223 7.701 310 HZ PHE 681 HZ PHE 681 -7.956 -2.601 9.258 311 H GLY 682 HN GLY 682 -2.888 -8.550 6.901 312 HA2 GLY 682 HA2 GLY 682 -2.108 -10.609 6.011 313 HA3 GLY 682 HA1 GLY 682 -3.717 -10.904 5.361 314 H GLU 683 HN GLU 683 -2.837 -11.321 3.300 315 HA GLU 683 HA GLU 683 -1.730 -8.975 1.929 316 HB2 GLU 683 HB2 GLU 683 -0.977 -10.538 0.185 317 HB3 GLU 683 HB1 GLU 683 -0.345 -10.989 1.759 318 HG2 GLU 683 HG2 GLU 683 -2.770 -12.269 0.523 319 HG3 GLU 683 HG1 GLU 683 -1.132 -12.880 0.313 320 H GLY 684 HN GLY 684 -2.674 -8.290 -0.061 321 HA2 GLY 684 HA2 GLY 684 -5.203 -9.529 -0.805 322 HA3 GLY 684 HA1 GLY 684 -5.308 -7.901 -0.152 323 H THR 685 HN THR 685 -6.281 -8.229 -2.575 324 HA THR 685 HA THR 685 -4.214 -7.040 -4.305 325 HB THR 685 HB THR 685 -6.693 -8.534 -5.187 326 HG1 THR 685 HG1 THR 685 -4.715 -9.658 -4.161 327 HG21 THR 685 HG21 THR 685 -5.632 -8.460 -7.407 328 HG22 THR 685 HG22 THR 685 -4.320 -7.487 -6.741 329 HG23 THR 685 HG23 THR 685 -5.961 -6.842 -6.789 330 H ILE 686 HN ILE 686 -4.525 -4.977 -4.793 331 HA ILE 686 HA ILE 686 -6.837 -3.576 -3.871 332 HB ILE 686 HB ILE 686 -4.709 -2.538 -5.745 333 HG12 ILE 686 HG12 ILE 686 -4.733 -2.539 -2.715 334 HG13 ILE 686 HG11 ILE 686 -3.685 -3.533 -3.722 335 HG21 ILE 686 HG21 ILE 686 -6.694 -1.133 -5.559 336 HG22 ILE 686 HG22 ILE 686 -5.307 -0.362 -4.791 337 HG23 ILE 686 HG23 ILE 686 -6.544 -1.135 -3.803 338 HD11 ILE 686 HD11 ILE 686 -2.499 -1.606 -2.862 339 HD12 ILE 686 HD12 ILE 686 -3.689 -0.526 -3.586 340 HD13 ILE 686 HD13 ILE 686 -2.646 -1.507 -4.616 341 H VAL 687 HN VAL 687 -8.726 -3.896 -4.885 342 HA VAL 687 HA VAL 687 -8.715 -4.370 -7.768 343 HB VAL 687 HB VAL 687 -11.079 -5.044 -7.477 344 HG11 VAL 687 HG11 VAL 687 -9.132 -6.426 -5.635 345 HG12 VAL 687 HG12 VAL 687 -9.311 -6.711 -7.367 346 HG13 VAL 687 HG13 VAL 687 -10.624 -7.124 -6.264 347 HG21 VAL 687 HG21 VAL 687 -11.655 -3.661 -5.557 348 HG22 VAL 687 HG22 VAL 687 -10.545 -4.582 -4.542 349 HG23 VAL 687 HG23 VAL 687 -11.976 -5.361 -5.215 350 H ASN 688 HN ASN 688 -9.566 -1.945 -5.472 351 HA ASN 688 HA ASN 688 -10.375 -0.181 -7.628 352 HB2 ASN 688 HB2 ASN 688 -12.476 -1.322 -6.873 353 HB3 ASN 688 HB1 ASN 688 -12.212 -0.647 -5.274 354 HD21 ASN 688 HD21 ASN 688 -14.155 0.463 -5.341 355 HD22 ASN 688 HD22 ASN 688 -14.362 1.888 -6.305 356 H MET 689 HN MET 689 -10.677 2.067 -6.802 357 HA MET 689 HA MET 689 -9.557 2.691 -4.223 358 HB2 MET 689 HB2 MET 689 -7.748 4.131 -5.116 359 HB3 MET 689 HB1 MET 689 -7.482 2.430 -5.466 360 HG2 MET 689 HG2 MET 689 -6.889 3.496 -7.432 361 HG3 MET 689 HG1 MET 689 -8.530 2.943 -7.749 362 HE1 MET 689 HE1 MET 689 -8.323 6.304 -9.748 363 HE2 MET 689 HE2 MET 689 -8.683 4.580 -9.832 364 HE3 MET 689 HE3 MET 689 -7.035 5.122 -9.515 365 H GLU 690 HN GLU 690 -9.776 4.964 -3.709 366 HA GLU 690 HA GLU 690 -11.695 6.347 -5.482 367 HB2 GLU 690 HB2 GLU 690 -11.751 6.262 -2.460 368 HB3 GLU 690 HB1 GLU 690 -12.819 7.227 -3.467 369 HG2 GLU 690 HG2 GLU 690 -13.685 5.141 -4.471 370 HG3 GLU 690 HG1 GLU 690 -12.678 4.225 -3.349 371 H GLY 691 HN GLY 691 -11.020 8.265 -6.121 372 HA2 GLY 691 HA2 GLY 691 -10.029 10.339 -6.109 373 HA3 GLY 691 HA1 GLY 691 -9.840 10.168 -4.372 374 H SER 692 HN SER 692 -7.796 11.270 -4.731 375 HA SER 692 HA SER 692 -5.661 9.338 -5.050 376 HB2 SER 692 HB2 SER 692 -5.824 11.822 -6.774 377 HB3 SER 692 HB1 SER 692 -4.391 10.809 -6.613 378 HG SER 692 HG SER 692 -6.519 9.279 -7.194 379 H GLY 693 HN GLY 693 -3.626 10.124 -4.208 380 HA2 GLY 693 HA2 GLY 693 -2.280 11.627 -3.019 381 HA3 GLY 693 HA1 GLY 693 -3.665 12.690 -2.826 382 H GLU 694 HN GLU 694 -3.606 12.989 -0.658 383 HA GLU 694 HA GLU 694 -3.108 10.859 1.186 384 HB2 GLU 694 HB2 GLU 694 -4.265 13.594 1.736 385 HB3 GLU 694 HB1 GLU 694 -3.553 12.505 2.916 386 HG2 GLU 694 HG2 GLU 694 -1.385 12.741 1.846 387 HG3 GLU 694 HG1 GLU 694 -2.093 13.805 0.631 388 H HIS 695 HN HIS 695 -5.913 12.361 -0.209 389 HA HIS 695 HA HIS 695 -7.713 11.090 1.703 390 HB2 HIS 695 HB2 HIS 695 -8.286 12.940 -0.621 391 HB3 HIS 695 HB1 HIS 695 -9.493 12.331 0.506 392 HD1 HIS 695 HD1 HIS 695 -7.979 15.341 -0.095 393 HD2 HIS 695 HD2 HIS 695 -8.225 13.011 3.340 394 HE1 HIS 695 HE1 HIS 695 -7.581 16.915 1.820 395 HE2 HIS 695 HE2 HIS 695 -7.659 15.475 3.883 396 H SER 696 HN SER 696 -6.073 9.786 -0.557 397 HA SER 696 HA SER 696 -8.125 8.577 -2.184 398 HB2 SER 696 HB2 SER 696 -5.792 9.006 -3.017 399 HB3 SER 696 HB1 SER 696 -5.218 7.772 -1.898 400 HG SER 696 HG SER 696 -6.968 7.444 -4.110 401 H ARG 697 HN ARG 697 -9.183 6.752 -1.728 402 HA ARG 697 HA ARG 697 -8.211 5.137 0.538 403 HB2 ARG 697 HB2 ARG 697 -11.059 5.425 -0.445 404 HB3 ARG 697 HB1 ARG 697 -10.532 4.446 0.917 405 HG2 ARG 697 HG2 ARG 697 -9.738 6.524 2.024 406 HG3 ARG 697 HG1 ARG 697 -10.448 7.444 0.698 407 HD2 ARG 697 HD2 ARG 697 -11.895 5.648 2.638 408 HD3 ARG 697 HD1 ARG 697 -11.982 7.406 2.556 409 HE ARG 697 HE ARG 697 -12.851 5.815 0.245 410 HH11 ARG 697 HH11 ARG 697 -13.620 7.978 2.888 411 HH12 ARG 697 HH12 ARG 697 -15.224 8.306 2.319 412 HH21 ARG 697 HH21 ARG 697 -14.944 6.238 -0.511 413 HH22 ARG 697 HH22 ARG 697 -15.976 7.330 0.366 414 H LEU 698 HN LEU 698 -7.848 3.014 0.182 415 HA LEU 698 HA LEU 698 -8.251 2.105 -2.586 416 HB2 LEU 698 HB2 LEU 698 -6.467 0.769 -0.588 417 HB3 LEU 698 HB1 LEU 698 -6.392 0.726 -2.337 418 HG LEU 698 HG LEU 698 -5.796 3.212 -0.750 419 HD11 LEU 698 HD11 LEU 698 -4.256 1.461 -0.071 420 HD12 LEU 698 HD12 LEU 698 -3.432 2.660 -1.067 421 HD13 LEU 698 HD13 LEU 698 -3.891 1.104 -1.759 422 HD21 LEU 698 HD21 LEU 698 -5.196 2.376 -3.587 423 HD22 LEU 698 HD22 LEU 698 -4.641 3.866 -2.824 424 HD23 LEU 698 HD23 LEU 698 -6.365 3.594 -3.077 425 H GLN 699 HN GLN 699 -9.594 0.472 -2.980 426 HA GLN 699 HA GLN 699 -10.686 -1.010 -0.710 427 HB2 GLN 699 HB2 GLN 699 -11.620 -0.436 -3.473 428 HB3 GLN 699 HB1 GLN 699 -12.105 -1.972 -2.768 429 HG2 GLN 699 HG2 GLN 699 -13.852 -0.573 -2.209 430 HG3 GLN 699 HG1 GLN 699 -12.858 -0.575 -0.756 431 HE21 GLN 699 HE21 GLN 699 -14.813 1.374 -1.704 432 HE22 GLN 699 HE22 GLN 699 -13.973 2.885 -1.794 433 H VAL 700 HN VAL 700 -9.415 -2.562 -0.143 434 HA VAL 700 HA VAL 700 -7.911 -4.043 -2.187 435 HB VAL 700 HB VAL 700 -7.449 -4.077 0.795 436 HG11 VAL 700 HG11 VAL 700 -6.520 -5.964 -0.430 437 HG12 VAL 700 HG12 VAL 700 -5.240 -4.917 0.181 438 HG13 VAL 700 HG13 VAL 700 -5.688 -4.859 -1.524 439 HG21 VAL 700 HG21 VAL 700 -6.103 -2.338 -1.271 440 HG22 VAL 700 HG22 VAL 700 -5.632 -2.477 0.424 441 HG23 VAL 700 HG23 VAL 700 -7.198 -1.788 -0.004 442 H ALA 701 HN ALA 701 -8.511 -6.034 -2.688 443 HA ALA 701 HA ALA 701 -10.476 -7.421 -1.075 444 HB1 ALA 701 HB1 ALA 701 -9.108 -8.268 -3.629 445 HB2 ALA 701 HB2 ALA 701 -10.656 -7.433 -3.525 446 HB3 ALA 701 HB3 ALA 701 -10.489 -9.065 -2.876 447 H PHE 702 HN PHE 702 -9.438 -8.021 0.815 448 HA PHE 702 HA PHE 702 -6.942 -9.459 0.726 449 HB2 PHE 702 HB2 PHE 702 -8.906 -8.938 2.965 450 HB3 PHE 702 HB1 PHE 702 -7.404 -9.834 3.176 451 HD1 PHE 702 HD1 PHE 702 -5.231 -8.687 2.805 452 HD2 PHE 702 HD2 PHE 702 -8.927 -6.581 2.886 453 HE1 PHE 702 HE1 PHE 702 -4.013 -6.579 3.165 454 HE2 PHE 702 HE2 PHE 702 -7.717 -4.470 3.245 455 HZ PHE 702 HZ PHE 702 -5.260 -4.466 3.386 456 H GLN 703 HN GLN 703 -6.699 -11.548 0.394 457 HA GLN 703 HA GLN 703 -8.939 -13.111 -0.377 458 HB2 GLN 703 HB2 GLN 703 -6.054 -13.894 0.047 459 HB3 GLN 703 HB1 GLN 703 -7.269 -14.906 -0.725 460 HG2 GLN 703 HG2 GLN 703 -7.534 -13.281 -2.500 461 HG3 GLN 703 HG1 GLN 703 -6.380 -12.206 -1.712 462 HE21 GLN 703 HE21 GLN 703 -6.793 -15.150 -3.504 463 HE22 GLN 703 HE22 GLN 703 -5.127 -15.371 -3.911 464 H GLY 704 HN GLY 704 -7.503 -12.544 2.631 465 HA2 GLY 704 HA2 GLY 704 -8.519 -15.064 3.732 466 HA3 GLY 704 HA1 GLY 704 -7.436 -13.949 4.549 467 H GLN 705 HN GLN 705 -9.917 -12.267 3.015 468 HA GLN 705 HA GLN 705 -11.904 -12.611 5.067 469 HB2 GLN 705 HB2 GLN 705 -10.216 -11.126 6.164 470 HB3 GLN 705 HB1 GLN 705 -10.510 -9.935 4.906 471 HG2 GLN 705 HG2 GLN 705 -11.744 -9.351 6.884 472 HG3 GLN 705 HG1 GLN 705 -12.864 -9.809 5.602 473 HE21 GLN 705 HE21 GLN 705 -14.024 -11.725 5.785 474 HE22 GLN 705 HE22 GLN 705 -14.162 -12.578 7.281 475 H GLY 706 HN GLY 706 -11.031 -9.784 3.076 476 HA2 GLY 706 HA2 GLY 706 -12.707 -10.183 0.928 477 HA3 GLY 706 HA1 GLY 706 -13.716 -9.466 2.175 478 H ILE 707 HN ILE 707 -13.889 -7.764 0.480 479 HA ILE 707 HA ILE 707 -11.574 -6.131 -0.023 480 HB ILE 707 HB ILE 707 -14.481 -5.607 -0.666 481 HG12 ILE 707 HG12 ILE 707 -12.244 -6.637 -2.424 482 HG13 ILE 707 HG11 ILE 707 -13.537 -7.626 -1.756 483 HG21 ILE 707 HG21 ILE 707 -11.980 -4.245 -1.657 484 HG22 ILE 707 HG22 ILE 707 -13.200 -3.545 -0.594 485 HG23 ILE 707 HG23 ILE 707 -13.610 -3.952 -2.260 486 HD11 ILE 707 HD11 ILE 707 -13.940 -7.058 -4.088 487 HD12 ILE 707 HD12 ILE 707 -13.894 -5.342 -3.682 488 HD13 ILE 707 HD13 ILE 707 -15.175 -6.368 -3.036 489 H LYS 708 HN LYS 708 -10.876 -4.498 1.138 490 HA LYS 708 HA LYS 708 -12.681 -3.260 3.115 491 HB2 LYS 708 HB2 LYS 708 -9.789 -4.057 3.417 492 HB3 LYS 708 HB1 LYS 708 -10.601 -2.957 4.519 493 HG2 LYS 708 HG2 LYS 708 -12.088 -4.651 5.252 494 HG3 LYS 708 HG1 LYS 708 -11.578 -5.744 3.961 495 HD2 LYS 708 HD2 LYS 708 -9.316 -5.802 4.950 496 HD3 LYS 708 HD1 LYS 708 -9.891 -4.782 6.270 497 HE2 LYS 708 HE2 LYS 708 -10.960 -7.511 5.562 498 HE3 LYS 708 HE1 LYS 708 -9.839 -7.164 6.879 499 HZ1 LYS 708 HZ1 LYS 708 -11.545 -5.715 7.860 500 HZ2 LYS 708 HZ2 LYS 708 -12.072 -7.316 7.728 501 HZ3 LYS 708 HZ3 LYS 708 -12.624 -6.156 6.630 502 H TRP 709 HN TRP 709 -12.085 -1.079 3.721 503 HA TRP 709 HA TRP 709 -10.902 0.380 1.477 504 HB2 TRP 709 HB2 TRP 709 -12.056 2.359 2.439 505 HB3 TRP 709 HB1 TRP 709 -13.170 1.057 2.041 506 HD1 TRP 709 HD1 TRP 709 -13.854 -0.542 4.286 507 HE1 TRP 709 HE1 TRP 709 -14.400 0.252 6.665 508 HE3 TRP 709 HE3 TRP 709 -11.702 4.089 4.099 509 HZ2 TRP 709 HZ2 TRP 709 -13.988 2.556 8.255 510 HZ3 TRP 709 HZ3 TRP 709 -11.824 5.530 6.089 511 HH2 TRP 709 HH2 TRP 709 -12.945 4.777 8.124 512 H LEU 710 HN LEU 710 -8.874 0.970 1.685 513 HA LEU 710 HA LEU 710 -7.843 1.605 4.375 514 HB2 LEU 710 HB2 LEU 710 -6.459 0.348 2.005 515 HB3 LEU 710 HB1 LEU 710 -5.577 1.037 3.349 516 HG LEU 710 HG LEU 710 -5.640 -1.328 3.654 517 HD11 LEU 710 HD11 LEU 710 -6.741 -1.537 5.803 518 HD12 LEU 710 HD12 LEU 710 -7.686 -0.083 5.486 519 HD13 LEU 710 HD13 LEU 710 -5.935 0.027 5.674 520 HD21 LEU 710 HD21 LEU 710 -7.766 -2.570 3.843 521 HD22 LEU 710 HD22 LEU 710 -7.483 -1.922 2.228 522 HD23 LEU 710 HD23 LEU 710 -8.627 -1.126 3.309 523 H VAL 711 HN VAL 711 -7.592 3.739 4.604 524 HA VAL 711 HA VAL 711 -7.447 5.583 2.463 525 HB VAL 711 HB VAL 711 -6.501 6.002 5.308 526 HG11 VAL 711 HG11 VAL 711 -7.380 7.981 3.204 527 HG12 VAL 711 HG12 VAL 711 -5.727 7.725 3.761 528 HG13 VAL 711 HG13 VAL 711 -6.939 8.372 4.866 529 HG21 VAL 711 HG21 VAL 711 -9.229 6.455 4.101 530 HG22 VAL 711 HG22 VAL 711 -8.739 6.908 5.733 531 HG23 VAL 711 HG23 VAL 711 -8.804 5.207 5.272 532 H ALA 712 HN ALA 712 -5.809 5.773 1.088 533 HA ALA 712 HA ALA 712 -3.584 4.210 1.063 534 HB1 ALA 712 HB1 ALA 712 -4.503 5.433 -0.858 535 HB2 ALA 712 HB2 ALA 712 -2.750 5.585 -0.728 536 HB3 ALA 712 HB3 ALA 712 -3.789 6.920 -0.230 537 H ALA 713 HN ALA 713 -3.716 7.526 2.328 538 HA ALA 713 HA ALA 713 -0.939 7.836 2.684 539 HB1 ALA 713 HB1 ALA 713 -3.166 9.187 4.199 540 HB2 ALA 713 HB2 ALA 713 -2.520 9.711 2.645 541 HB3 ALA 713 HB3 ALA 713 -1.496 9.738 4.079 542 H TYR 714 HN TYR 714 -3.432 6.494 4.787 543 HA TYR 714 HA TYR 714 -1.425 6.107 6.899 544 HB2 TYR 714 HB2 TYR 714 -4.443 5.955 6.977 545 HB3 TYR 714 HB1 TYR 714 -3.399 5.568 8.342 546 HD1 TYR 714 HD1 TYR 714 -5.021 8.190 6.480 547 HD2 TYR 714 HD2 TYR 714 -1.955 7.383 9.316 548 HE1 TYR 714 HE1 TYR 714 -5.023 10.557 7.147 549 HE2 TYR 714 HE2 TYR 714 -1.949 9.747 9.991 550 HH TYR 714 HH TYR 714 -4.393 11.891 9.200 551 H ALA 715 HN ALA 715 -2.930 4.505 4.395 552 HA ALA 715 HA ALA 715 -3.224 1.907 5.472 553 HB1 ALA 715 HB1 ALA 715 -2.705 2.686 2.606 554 HB2 ALA 715 HB2 ALA 715 -4.290 2.683 3.376 555 HB3 ALA 715 HB3 ALA 715 -3.403 1.171 3.179 556 H ARG 716 HN ARG 716 -0.771 3.128 3.199 557 HA ARG 716 HA ARG 716 1.434 2.660 2.931 558 HB2 ARG 716 HB2 ARG 716 1.314 2.124 5.906 559 HB3 ARG 716 HB1 ARG 716 2.755 2.515 4.973 560 HG2 ARG 716 HG2 ARG 716 2.029 4.722 4.578 561 HG3 ARG 716 HG1 ARG 716 0.391 4.360 5.123 562 HD2 ARG 716 HD2 ARG 716 1.265 3.983 7.396 563 HD3 ARG 716 HD1 ARG 716 2.875 4.422 6.827 564 HE ARG 716 HE ARG 716 0.770 6.389 6.409 565 HH11 ARG 716 HH11 ARG 716 3.495 5.321 8.325 566 HH12 ARG 716 HH12 ARG 716 3.721 6.859 9.094 567 HH21 ARG 716 HH21 ARG 716 1.060 8.418 7.432 568 HH22 ARG 716 HH22 ARG 716 2.334 8.615 8.595 569 H LEU 717 HN LEU 717 0.462 0.771 1.777 570 HA LEU 717 HA LEU 717 0.773 -1.811 3.090 571 HB2 LEU 717 HB2 LEU 717 -0.436 -0.859 0.528 572 HB3 LEU 717 HB1 LEU 717 0.071 -2.528 0.643 573 HG LEU 717 HG LEU 717 -2.331 -2.257 1.090 574 HD11 LEU 717 HD11 LEU 717 -2.440 -3.523 3.155 575 HD12 LEU 717 HD12 LEU 717 -0.777 -3.078 3.534 576 HD13 LEU 717 HD13 LEU 717 -1.119 -4.098 2.139 577 HD21 LEU 717 HD21 LEU 717 -3.103 -1.156 3.110 578 HD22 LEU 717 HD22 LEU 717 -2.281 -0.020 2.041 579 HD23 LEU 717 HD23 LEU 717 -1.457 -0.639 3.471 580 H GLU 718 HN GLU 718 2.255 -3.360 2.476 581 HA GLU 718 HA GLU 718 4.492 -2.393 0.861 582 HB2 GLU 718 HB2 GLU 718 4.938 -3.348 3.117 583 HB3 GLU 718 HB1 GLU 718 4.280 -4.882 2.566 584 HG2 GLU 718 HG2 GLU 718 6.046 -5.106 0.941 585 HG3 GLU 718 HG1 GLU 718 6.674 -3.513 1.364 586 H SER 719 HN SER 719 4.989 -3.276 -1.084 587 HA SER 719 HA SER 719 2.965 -4.842 -2.374 588 HB2 SER 719 HB2 SER 719 5.700 -4.094 -3.430 589 HB3 SER 719 HB1 SER 719 4.278 -4.545 -4.375 590 HG SER 719 HG SER 719 4.209 -2.335 -2.622 591 H VAL 720 HN VAL 720 2.883 -6.994 -2.578 592 HA VAL 720 HA VAL 720 4.800 -8.686 -1.350 593 HB VAL 720 HB VAL 720 2.744 -9.543 -3.395 594 HG11 VAL 720 HG11 VAL 720 2.809 -11.666 -2.192 595 HG12 VAL 720 HG12 VAL 720 4.012 -11.008 -1.083 596 HG13 VAL 720 HG13 VAL 720 4.411 -11.228 -2.788 597 HG21 VAL 720 HG21 VAL 720 1.676 -8.180 -1.646 598 HG22 VAL 720 HG22 VAL 720 2.361 -9.246 -0.420 599 HG23 VAL 720 HG23 VAL 720 1.180 -9.870 -1.570 Start of MODEL 2 1 H1 ARG 645 HT1 ARG 645 9.806 -7.978 -1.788 2 H2 ARG 645 HT2 ARG 645 8.614 -6.946 -1.183 3 H3 ARG 645 HT3 ARG 645 9.980 -7.298 -0.251 4 HA ARG 645 HA ARG 645 10.020 -5.871 -2.841 5 HB2 ARG 645 HB2 ARG 645 10.556 -3.859 -1.498 6 HB3 ARG 645 HB1 ARG 645 8.945 -4.478 -1.173 7 HG2 ARG 645 HG2 ARG 645 9.768 -5.530 0.878 8 HG3 ARG 645 HG1 ARG 645 11.377 -4.888 0.550 9 HD2 ARG 645 HD2 ARG 645 8.881 -3.249 0.981 10 HD3 ARG 645 HD1 ARG 645 10.152 -3.512 2.172 11 HE ARG 645 HE ARG 645 11.516 -2.458 0.109 12 HH11 ARG 645 HH11 ARG 645 8.568 -1.435 1.722 13 HH12 ARG 645 HH12 ARG 645 8.861 0.256 1.434 14 HH21 ARG 645 HH21 ARG 645 11.886 -0.237 -0.264 15 HH22 ARG 645 HH22 ARG 645 10.736 0.932 0.306 16 H LEU 646 HN LEU 646 12.157 -4.720 -3.098 17 HA LEU 646 HA LEU 646 14.311 -6.468 -2.097 18 HB2 LEU 646 HB2 LEU 646 14.166 -5.281 -4.868 19 HB3 LEU 646 HB1 LEU 646 15.339 -6.436 -4.272 20 HG LEU 646 HG LEU 646 12.402 -6.989 -4.706 21 HD11 LEU 646 HD11 LEU 646 14.829 -7.865 -6.261 22 HD12 LEU 646 HD12 LEU 646 13.600 -6.719 -6.799 23 HD13 LEU 646 HD13 LEU 646 13.176 -8.411 -6.539 24 HD21 LEU 646 HD21 LEU 646 13.000 -9.325 -4.287 25 HD22 LEU 646 HD22 LEU 646 13.300 -8.314 -2.874 26 HD23 LEU 646 HD23 LEU 646 14.645 -8.831 -3.890 27 H ARG 647 HN ARG 647 15.379 -5.169 -0.703 28 HA ARG 647 HA ARG 647 15.824 -2.367 -1.284 29 HB2 ARG 647 HB2 ARG 647 15.449 -3.008 1.026 30 HB3 ARG 647 HB1 ARG 647 16.798 -4.132 0.973 31 HG2 ARG 647 HG2 ARG 647 18.328 -2.226 0.627 32 HG3 ARG 647 HG1 ARG 647 16.954 -1.129 0.784 33 HD2 ARG 647 HD2 ARG 647 17.859 -3.080 2.898 34 HD3 ARG 647 HD1 ARG 647 18.262 -1.364 2.873 35 HE ARG 647 HE ARG 647 15.443 -1.807 2.755 36 HH11 ARG 647 HH11 ARG 647 18.180 -1.712 4.943 37 HH12 ARG 647 HH12 ARG 647 17.222 -1.271 6.320 38 HH21 ARG 647 HH21 ARG 647 14.179 -1.231 4.569 39 HH22 ARG 647 HH22 ARG 647 14.946 -0.995 6.109 40 H ALA 648 HN ALA 648 17.881 -5.207 -0.764 41 HA ALA 648 HA ALA 648 19.726 -4.274 -2.810 42 HB1 ALA 648 HB1 ALA 648 20.615 -3.269 -0.758 43 HB2 ALA 648 HB2 ALA 648 21.690 -4.530 -1.364 44 HB3 ALA 648 HB3 ALA 648 20.637 -4.855 0.012 45 H THR 649 HN THR 649 18.147 -6.221 -3.321 46 HA THR 649 HA THR 649 19.064 -8.754 -2.256 47 HB THR 649 HB THR 649 16.916 -8.283 -4.325 48 HG1 THR 649 HG1 THR 649 16.492 -8.578 -1.531 49 HG21 THR 649 HG21 THR 649 17.667 -10.602 -4.111 50 HG22 THR 649 HG22 THR 649 16.036 -10.415 -3.470 51 HG23 THR 649 HG23 THR 649 17.406 -10.536 -2.368 52 H VAL 650 HN VAL 650 20.909 -9.423 -3.089 53 HA VAL 650 HA VAL 650 22.318 -10.456 -4.519 54 HB VAL 650 HB VAL 650 20.128 -10.197 -6.586 55 HG11 VAL 650 HG11 VAL 650 21.318 -11.984 -7.766 56 HG12 VAL 650 HG12 VAL 650 22.596 -11.937 -6.552 57 HG13 VAL 650 HG13 VAL 650 22.324 -10.545 -7.600 58 HG21 VAL 650 HG21 VAL 650 19.453 -11.487 -4.610 59 HG22 VAL 650 HG22 VAL 650 20.867 -12.521 -4.808 60 HG23 VAL 650 HG23 VAL 650 19.603 -12.509 -6.038 61 H SER 651 HN SER 651 20.673 -8.227 -6.781 62 HA SER 651 HA SER 651 23.018 -6.550 -6.905 63 HB2 SER 651 HB2 SER 651 23.644 -8.437 -8.379 64 HB3 SER 651 HB1 SER 651 22.194 -8.151 -9.338 65 HG SER 651 HG SER 651 23.192 -6.606 -10.334 66 H ARG 652 HN ARG 652 22.539 -4.545 -7.537 67 HA ARG 652 HA ARG 652 20.447 -3.943 -9.379 68 HB2 ARG 652 HB2 ARG 652 19.085 -2.550 -7.915 69 HB3 ARG 652 HB1 ARG 652 19.095 -4.206 -7.332 70 HG2 ARG 652 HG2 ARG 652 20.621 -3.645 -5.578 71 HG3 ARG 652 HG1 ARG 652 20.834 -2.018 -6.225 72 HD2 ARG 652 HD2 ARG 652 18.267 -3.173 -5.146 73 HD3 ARG 652 HD1 ARG 652 19.316 -2.026 -4.313 74 HE ARG 652 HE ARG 652 18.498 -1.038 -6.856 75 HH11 ARG 652 HH11 ARG 652 17.432 -1.482 -3.555 76 HH12 ARG 652 HH12 ARG 652 16.260 -0.203 -3.632 77 HH21 ARG 652 HH21 ARG 652 16.972 0.651 -6.957 78 HH22 ARG 652 HH22 ARG 652 15.996 1.009 -5.567 79 HA PRO 653 HA PRO 653 23.208 -0.644 -10.336 80 HB2 PRO 653 HB2 PRO 653 20.746 1.020 -10.580 81 HB3 PRO 653 HB1 PRO 653 22.067 0.790 -11.731 82 HG2 PRO 653 HG2 PRO 653 19.731 -0.418 -12.107 83 HG3 PRO 653 HG1 PRO 653 21.254 -1.253 -12.460 84 HD2 PRO 653 HD2 PRO 653 19.398 -1.592 -10.150 85 HD3 PRO 653 HD1 PRO 653 20.366 -2.805 -11.010 86 H VAL 654 HN VAL 654 24.341 0.128 -8.702 87 HA VAL 654 HA VAL 654 24.987 1.239 -6.844 88 HB VAL 654 HB VAL 654 22.652 3.082 -7.381 89 HG11 VAL 654 HG11 VAL 654 25.250 3.477 -5.903 90 HG12 VAL 654 HG12 VAL 654 23.631 3.437 -5.205 91 HG13 VAL 654 HG13 VAL 654 24.099 4.758 -6.274 92 HG21 VAL 654 HG21 VAL 654 25.458 3.180 -8.486 93 HG22 VAL 654 HG22 VAL 654 24.243 4.443 -8.667 94 HG23 VAL 654 HG23 VAL 654 23.982 2.860 -9.400 95 H SER 655 HN SER 655 24.331 -0.658 -5.636 96 HA SER 655 HA SER 655 21.826 -0.646 -4.239 97 HB2 SER 655 HB2 SER 655 24.334 -2.228 -3.623 98 HB3 SER 655 HB1 SER 655 22.702 -2.579 -3.058 99 HG SER 655 HG SER 655 23.068 -2.361 -5.813 100 H HIS 656 HN HIS 656 21.373 0.247 -2.292 101 HA HIS 656 HA HIS 656 23.525 1.820 -1.071 102 HB2 HIS 656 HB2 HIS 656 20.522 2.026 -0.763 103 HB3 HIS 656 HB1 HIS 656 21.688 3.052 0.064 104 HD1 HIS 656 HD1 HIS 656 19.579 3.072 -2.794 105 HD2 HIS 656 HD2 HIS 656 23.432 4.416 -2.012 106 HE1 HIS 656 HE1 HIS 656 20.079 4.769 -4.580 107 HE2 HIS 656 HE2 HIS 656 22.434 5.529 -4.122 108 H GLN 657 HN GLN 657 24.578 0.586 0.341 109 HA GLN 657 HA GLN 657 23.307 -1.432 1.916 110 HB2 GLN 657 HB2 GLN 657 26.062 -0.207 2.130 111 HB3 GLN 657 HB1 GLN 657 25.516 -1.592 3.057 112 HG2 GLN 657 HG2 GLN 657 26.787 -2.465 1.301 113 HG3 GLN 657 HG1 GLN 657 25.107 -2.748 0.854 114 HE21 GLN 657 HE21 GLN 657 25.651 -2.931 -1.317 115 HE22 GLN 657 HE22 GLN 657 26.062 -1.549 -2.275 116 H ARG 658 HN ARG 658 24.418 1.848 2.472 117 HA ARG 658 HA ARG 658 23.249 1.729 5.169 118 HB2 ARG 658 HB2 ARG 658 24.795 3.613 5.728 119 HB3 ARG 658 HB1 ARG 658 25.607 2.100 5.356 120 HG2 ARG 658 HG2 ARG 658 26.074 2.940 3.090 121 HG3 ARG 658 HG1 ARG 658 25.319 4.474 3.527 122 HD2 ARG 658 HD2 ARG 658 26.970 4.768 5.310 123 HD3 ARG 658 HD1 ARG 658 27.724 3.240 4.864 124 HE ARG 658 HE ARG 658 27.559 5.140 2.708 125 HH11 ARG 658 HH11 ARG 658 29.451 4.049 5.441 126 HH12 ARG 658 HH12 ARG 658 30.946 4.666 4.816 127 HH21 ARG 658 HH21 ARG 658 29.529 5.975 1.892 128 HH22 ARG 658 HH22 ARG 658 30.985 5.779 2.812 129 H MET 659 HN MET 659 21.895 2.252 2.671 130 HA MET 659 HA MET 659 20.259 3.590 1.849 131 HB2 MET 659 HB2 MET 659 20.519 4.906 4.555 132 HB3 MET 659 HB1 MET 659 19.240 5.256 3.407 133 HG2 MET 659 HG2 MET 659 18.534 2.901 3.517 134 HG3 MET 659 HG1 MET 659 19.775 2.613 4.734 135 HE1 MET 659 HE1 MET 659 17.943 1.630 6.397 136 HE2 MET 659 HE2 MET 659 16.720 1.896 5.155 137 HE3 MET 659 HE3 MET 659 16.447 2.474 6.799 138 H GLY 660 HN GLY 660 19.795 6.365 2.154 139 HA2 GLY 660 HA2 GLY 660 21.672 8.224 2.053 140 HA3 GLY 660 HA1 GLY 660 22.042 7.360 0.569 141 H THR 661 HN THR 661 19.224 6.734 0.052 142 HA THR 661 HA THR 661 18.544 9.262 -1.206 143 HB THR 661 HB THR 661 16.684 7.824 -2.240 144 HG1 THR 661 HG1 THR 661 16.895 6.119 -0.646 145 HG21 THR 661 HG21 THR 661 18.711 8.460 -3.456 146 HG22 THR 661 HG22 THR 661 18.224 6.816 -3.862 147 HG23 THR 661 HG23 THR 661 19.570 7.088 -2.756 148 HA PRO 662 HA PRO 662 15.620 10.239 2.010 149 HB2 PRO 662 HB2 PRO 662 14.411 12.321 0.748 150 HB3 PRO 662 HB1 PRO 662 16.001 12.448 1.509 151 HG2 PRO 662 HG2 PRO 662 15.303 12.059 -1.375 152 HG3 PRO 662 HG1 PRO 662 16.537 13.108 -0.654 153 HD2 PRO 662 HD2 PRO 662 17.128 10.714 -1.769 154 HD3 PRO 662 HD1 PRO 662 18.037 11.378 -0.398 155 H MET 663 HN MET 663 14.000 8.845 2.289 156 HA MET 663 HA MET 663 12.256 8.092 0.104 157 HB2 MET 663 HB2 MET 663 13.143 6.479 1.830 158 HB3 MET 663 HB1 MET 663 12.098 7.263 3.003 159 HG2 MET 663 HG2 MET 663 10.140 6.625 1.693 160 HG3 MET 663 HG1 MET 663 11.187 5.839 0.512 161 HE1 MET 663 HE1 MET 663 10.669 4.413 4.878 162 HE2 MET 663 HE2 MET 663 9.864 5.825 4.193 163 HE3 MET 663 HE3 MET 663 11.608 5.846 4.455 164 H VAL 664 HN VAL 664 11.995 10.724 0.516 165 HA VAL 664 HA VAL 664 9.813 11.299 2.311 166 HB VAL 664 HB VAL 664 11.485 13.001 2.090 167 HG11 VAL 664 HG11 VAL 664 11.942 14.175 -0.009 168 HG12 VAL 664 HG12 VAL 664 10.868 13.063 -0.858 169 HG13 VAL 664 HG13 VAL 664 12.348 12.462 -0.113 170 HG21 VAL 664 HG21 VAL 664 10.131 14.942 1.457 171 HG22 VAL 664 HG22 VAL 664 9.222 13.796 2.442 172 HG23 VAL 664 HG23 VAL 664 8.958 13.865 0.700 173 H GLU 665 HN GLU 665 8.089 10.130 1.613 174 HA GLU 665 HA GLU 665 6.676 11.113 -0.696 175 HB2 GLU 665 HB2 GLU 665 6.413 8.800 -1.661 176 HB3 GLU 665 HB1 GLU 665 8.016 9.503 -1.837 177 HG2 GLU 665 HG2 GLU 665 8.792 8.190 0.083 178 HG3 GLU 665 HG1 GLU 665 7.189 7.471 0.226 179 H ASN 666 HN ASN 666 4.499 10.744 -0.591 180 HA ASN 666 HA ASN 666 3.531 9.319 1.781 181 HB2 ASN 666 HB2 ASN 666 2.735 11.638 1.536 182 HB3 ASN 666 HB1 ASN 666 2.092 11.256 -0.055 183 HD21 ASN 666 HD21 ASN 666 0.184 10.154 -0.230 184 HD22 ASN 666 HD22 ASN 666 -0.841 9.807 1.115 185 H ASP 667 HN ASP 667 3.676 7.246 1.093 186 HA ASP 667 HA ASP 667 3.015 5.295 0.156 187 HB2 ASP 667 HB2 ASP 667 0.902 6.938 -1.256 188 HB3 ASP 667 HB1 ASP 667 0.971 5.179 -1.220 189 H SER 668 HN SER 668 4.177 4.276 -1.280 190 HA SER 668 HA SER 668 5.743 5.629 -3.172 191 HB2 SER 668 HB2 SER 668 5.166 2.662 -3.040 192 HB3 SER 668 HB1 SER 668 6.562 3.433 -3.794 193 HG SER 668 HG SER 668 7.056 4.278 -1.657 194 H GLY 669 HN GLY 669 2.694 3.925 -3.457 195 HA2 GLY 669 HA2 GLY 669 1.455 5.091 -5.409 196 HA3 GLY 669 HA1 GLY 669 2.738 4.363 -6.361 197 H TYR 670 HN TYR 670 -0.342 3.959 -5.138 198 HA TYR 670 HA TYR 670 -0.233 1.046 -5.290 199 HB2 TYR 670 HB2 TYR 670 -2.550 2.861 -4.600 200 HB3 TYR 670 HB1 TYR 670 -2.519 1.108 -4.443 201 HD1 TYR 670 HD1 TYR 670 -1.752 4.240 -2.877 202 HD2 TYR 670 HD2 TYR 670 -0.906 0.073 -2.780 203 HE1 TYR 670 HE1 TYR 670 -0.897 4.473 -0.589 204 HE2 TYR 670 HE2 TYR 670 -0.041 0.298 -0.490 205 HH TYR 670 HH TYR 670 -0.153 3.421 1.215 206 H LYS 671 HN LYS 671 -1.425 -0.131 -6.780 207 HA LYS 671 HA LYS 671 -2.767 1.349 -8.915 208 HB2 LYS 671 HB2 LYS 671 -1.601 0.145 -10.658 209 HB3 LYS 671 HB1 LYS 671 -0.417 0.936 -9.631 210 HG2 LYS 671 HG2 LYS 671 -0.034 -1.213 -8.479 211 HG3 LYS 671 HG1 LYS 671 -1.143 -1.984 -9.616 212 HD2 LYS 671 HD2 LYS 671 0.328 -1.163 -11.470 213 HD3 LYS 671 HD1 LYS 671 1.474 -0.625 -10.242 214 HE2 LYS 671 HE2 LYS 671 2.214 -2.750 -10.996 215 HE3 LYS 671 HE1 LYS 671 1.522 -2.986 -9.394 216 HZ1 LYS 671 HZ1 LYS 671 -0.492 -3.821 -10.404 217 HZ2 LYS 671 HZ2 LYS 671 0.832 -4.703 -10.974 218 HZ3 LYS 671 HZ3 LYS 671 0.116 -3.530 -11.953 219 H LEU 672 HN LEU 672 -4.161 -0.082 -10.235 220 HA LEU 672 HA LEU 672 -5.539 -1.938 -8.558 221 HB2 LEU 672 HB2 LEU 672 -5.869 -1.431 -11.515 222 HB3 LEU 672 HB1 LEU 672 -6.975 -2.344 -10.507 223 HG LEU 672 HG LEU 672 -6.444 0.616 -10.457 224 HD11 LEU 672 HD11 LEU 672 -8.945 -1.014 -10.835 225 HD12 LEU 672 HD12 LEU 672 -8.046 -0.181 -12.103 226 HD13 LEU 672 HD13 LEU 672 -8.848 0.747 -10.836 227 HD21 LEU 672 HD21 LEU 672 -7.988 -1.023 -8.453 228 HD22 LEU 672 HD22 LEU 672 -7.975 0.738 -8.545 229 HD23 LEU 672 HD23 LEU 672 -6.494 -0.134 -8.153 230 H GLY 673 HN GLY 673 -5.453 -4.099 -8.490 231 HA2 GLY 673 HA2 GLY 673 -4.781 -6.255 -9.091 232 HA3 GLY 673 HA1 GLY 673 -3.915 -5.579 -10.464 233 H GLN 674 HN GLN 674 -3.210 -3.849 -7.700 234 HA GLN 674 HA GLN 674 -0.569 -5.033 -7.525 235 HB2 GLN 674 HB2 GLN 674 -1.009 -2.539 -7.486 236 HB3 GLN 674 HB1 GLN 674 -1.690 -2.766 -5.888 237 HG2 GLN 674 HG2 GLN 674 0.495 -3.711 -5.161 238 HG3 GLN 674 HG1 GLN 674 1.147 -3.257 -6.735 239 HE21 GLN 674 HE21 GLN 674 1.492 -1.098 -7.207 240 HE22 GLN 674 HE22 GLN 674 1.457 0.138 -5.993 241 H ARG 675 HN ARG 675 0.261 -6.066 -5.752 242 HA ARG 675 HA ARG 675 -1.729 -7.021 -3.827 243 HB2 ARG 675 HB2 ARG 675 0.893 -8.148 -4.770 244 HB3 ARG 675 HB1 ARG 675 0.146 -8.713 -3.283 245 HG2 ARG 675 HG2 ARG 675 -0.477 -10.223 -4.995 246 HG3 ARG 675 HG1 ARG 675 -1.901 -9.254 -4.623 247 HD2 ARG 675 HD2 ARG 675 -1.241 -7.781 -6.573 248 HD3 ARG 675 HD1 ARG 675 -0.071 -9.029 -6.998 249 HE ARG 675 HE ARG 675 -2.871 -9.808 -6.693 250 HH11 ARG 675 HH11 ARG 675 -0.134 -9.227 -8.800 251 HH12 ARG 675 HH12 ARG 675 -0.880 -9.971 -10.178 252 HH21 ARG 675 HH21 ARG 675 -3.853 -10.785 -8.517 253 HH22 ARG 675 HH22 ARG 675 -2.984 -10.853 -10.018 254 H VAL 676 HN VAL 676 -1.668 -6.459 -1.782 255 HA VAL 676 HA VAL 676 0.660 -4.913 -0.828 256 HB VAL 676 HB VAL 676 -0.894 -3.707 0.642 257 HG11 VAL 676 HG11 VAL 676 -0.299 -2.751 -1.523 258 HG12 VAL 676 HG12 VAL 676 -1.940 -2.307 -1.048 259 HG13 VAL 676 HG13 VAL 676 -1.679 -3.565 -2.260 260 HG21 VAL 676 HG21 VAL 676 -2.631 -5.355 0.893 261 HG22 VAL 676 HG22 VAL 676 -3.026 -5.251 -0.825 262 HG23 VAL 676 HG23 VAL 676 -3.327 -3.873 0.235 263 H ARG 677 HN ARG 677 1.206 -5.107 1.374 264 HA ARG 677 HA ARG 677 0.020 -7.403 2.777 265 HB2 ARG 677 HB2 ARG 677 2.798 -6.923 2.021 266 HB3 ARG 677 HB1 ARG 677 2.606 -7.229 3.742 267 HG2 ARG 677 HG2 ARG 677 1.481 -9.318 3.273 268 HG3 ARG 677 HG1 ARG 677 1.581 -9.006 1.541 269 HD2 ARG 677 HD2 ARG 677 4.028 -9.030 1.695 270 HD3 ARG 677 HD1 ARG 677 3.909 -9.367 3.422 271 HE ARG 677 HE ARG 677 2.439 -11.333 2.136 272 HH11 ARG 677 HH11 ARG 677 5.768 -10.242 2.194 273 HH12 ARG 677 HH12 ARG 677 6.418 -11.815 1.866 274 HH21 ARG 677 HH21 ARG 677 3.288 -13.396 1.732 275 HH22 ARG 677 HH22 ARG 677 5.002 -13.617 1.604 276 H HIS 678 HN HIS 678 -0.541 -7.088 4.813 277 HA HIS 678 HA HIS 678 0.717 -4.920 6.331 278 HB2 HIS 678 HB2 HIS 678 -1.898 -4.725 5.388 279 HB3 HIS 678 HB1 HIS 678 -2.084 -5.254 7.058 280 HD1 HIS 678 HD1 HIS 678 -2.472 -3.276 8.505 281 HD2 HIS 678 HD2 HIS 678 0.249 -2.462 5.471 282 HE1 HIS 678 HE1 HIS 678 -1.794 -0.879 8.829 283 HE2 HIS 678 HE2 HIS 678 -0.313 -0.355 6.858 284 H ALA 679 HN ALA 679 0.933 -5.382 8.552 285 HA ALA 679 HA ALA 679 1.577 -7.982 9.140 286 HB1 ALA 679 HB1 ALA 679 0.735 -5.929 11.173 287 HB2 ALA 679 HB2 ALA 679 2.330 -6.013 10.425 288 HB3 ALA 679 HB3 ALA 679 1.762 -7.333 11.451 289 H LYS 680 HN LYS 680 -1.432 -6.321 10.091 290 HA LYS 680 HA LYS 680 -2.313 -8.767 11.404 291 HB2 LYS 680 HB2 LYS 680 -3.797 -6.156 11.303 292 HB3 LYS 680 HB1 LYS 680 -3.998 -7.458 12.456 293 HG2 LYS 680 HG2 LYS 680 -1.785 -5.451 12.254 294 HG3 LYS 680 HG1 LYS 680 -2.850 -5.792 13.616 295 HD2 LYS 680 HD2 LYS 680 -1.788 -8.027 13.802 296 HD3 LYS 680 HD1 LYS 680 -0.666 -7.556 12.535 297 HE2 LYS 680 HE2 LYS 680 0.368 -7.255 14.704 298 HE3 LYS 680 HE1 LYS 680 0.112 -5.692 13.931 299 HZ1 LYS 680 HZ1 LYS 680 -1.658 -6.873 16.004 300 HZ2 LYS 680 HZ2 LYS 680 -1.820 -5.342 15.303 301 HZ3 LYS 680 HZ3 LYS 680 -0.491 -5.681 16.285 302 H PHE 681 HN PHE 681 -3.237 -6.723 8.675 303 HA PHE 681 HA PHE 681 -5.640 -8.244 8.177 304 HB2 PHE 681 HB2 PHE 681 -4.278 -5.984 6.740 305 HB3 PHE 681 HB1 PHE 681 -5.608 -6.859 5.992 306 HD1 PHE 681 HD1 PHE 681 -6.439 -4.386 5.991 307 HD2 PHE 681 HD2 PHE 681 -6.077 -6.790 9.486 308 HE1 PHE 681 HE1 PHE 681 -8.065 -2.947 7.147 309 HE2 PHE 681 HE2 PHE 681 -7.700 -5.355 10.645 310 HZ PHE 681 HZ PHE 681 -8.698 -3.430 9.476 311 H GLY 682 HN GLY 682 -2.377 -8.659 7.480 312 HA2 GLY 682 HA2 GLY 682 -1.459 -10.567 6.486 313 HA3 GLY 682 HA1 GLY 682 -3.035 -10.933 5.790 314 H GLU 683 HN GLU 683 -3.251 -10.605 3.674 315 HA GLU 683 HA GLU 683 -1.972 -8.365 2.399 316 HB2 GLU 683 HB2 GLU 683 -0.831 -9.750 0.680 317 HB3 GLU 683 HB1 GLU 683 -0.142 -9.918 2.286 318 HG2 GLU 683 HG2 GLU 683 -1.500 -12.008 2.538 319 HG3 GLU 683 HG1 GLU 683 -1.892 -11.863 0.825 320 H GLY 684 HN GLY 684 -2.859 -7.868 0.369 321 HA2 GLY 684 HA2 GLY 684 -4.938 -9.610 -0.684 322 HA3 GLY 684 HA1 GLY 684 -5.482 -8.066 -0.039 323 H THR 685 HN THR 685 -6.146 -8.182 -2.471 324 HA THR 685 HA THR 685 -4.015 -6.845 -3.995 325 HB THR 685 HB THR 685 -6.286 -8.504 -5.108 326 HG1 THR 685 HG1 THR 685 -4.130 -9.370 -4.006 327 HG21 THR 685 HG21 THR 685 -3.948 -7.144 -6.455 328 HG22 THR 685 HG22 THR 685 -5.654 -6.734 -6.639 329 HG23 THR 685 HG23 THR 685 -5.047 -8.275 -7.242 330 H ILE 686 HN ILE 686 -4.420 -4.851 -4.677 331 HA ILE 686 HA ILE 686 -6.821 -3.519 -3.867 332 HB ILE 686 HB ILE 686 -4.640 -2.485 -5.685 333 HG12 ILE 686 HG12 ILE 686 -4.865 -2.284 -2.673 334 HG13 ILE 686 HG11 ILE 686 -3.732 -3.318 -3.535 335 HG21 ILE 686 HG21 ILE 686 -6.680 -1.155 -5.725 336 HG22 ILE 686 HG22 ILE 686 -5.382 -0.281 -4.911 337 HG23 ILE 686 HG23 ILE 686 -6.657 -1.046 -3.965 338 HD11 ILE 686 HD11 ILE 686 -3.814 -0.313 -3.629 339 HD12 ILE 686 HD12 ILE 686 -2.678 -1.340 -4.503 340 HD13 ILE 686 HD13 ILE 686 -2.654 -1.300 -2.740 341 H VAL 687 HN VAL 687 -8.649 -4.000 -4.947 342 HA VAL 687 HA VAL 687 -8.538 -4.513 -7.807 343 HB VAL 687 HB VAL 687 -10.937 -5.101 -7.595 344 HG11 VAL 687 HG11 VAL 687 -9.107 -6.474 -5.629 345 HG12 VAL 687 HG12 VAL 687 -9.228 -6.817 -7.355 346 HG13 VAL 687 HG13 VAL 687 -10.596 -7.151 -6.293 347 HG21 VAL 687 HG21 VAL 687 -11.529 -3.623 -5.742 348 HG22 VAL 687 HG22 VAL 687 -10.506 -4.563 -4.656 349 HG23 VAL 687 HG23 VAL 687 -11.942 -5.297 -5.368 350 H ASN 688 HN ASN 688 -9.490 -2.012 -5.610 351 HA ASN 688 HA ASN 688 -9.986 -0.252 -7.857 352 HB2 ASN 688 HB2 ASN 688 -12.210 -1.308 -7.275 353 HB3 ASN 688 HB1 ASN 688 -12.092 -0.514 -5.713 354 HD21 ASN 688 HD21 ASN 688 -13.945 0.682 -6.097 355 HD22 ASN 688 HD22 ASN 688 -13.946 2.039 -7.168 356 H MET 689 HN MET 689 -10.212 2.009 -7.155 357 HA MET 689 HA MET 689 -9.345 2.608 -4.451 358 HB2 MET 689 HB2 MET 689 -7.478 4.019 -5.182 359 HB3 MET 689 HB1 MET 689 -7.221 2.340 -5.629 360 HG2 MET 689 HG2 MET 689 -7.844 2.813 -7.910 361 HG3 MET 689 HG1 MET 689 -8.229 4.480 -7.486 362 HE1 MET 689 HE1 MET 689 -5.383 1.801 -7.853 363 HE2 MET 689 HE2 MET 689 -5.208 2.319 -6.176 364 HE3 MET 689 HE3 MET 689 -3.962 2.721 -7.357 365 H GLU 690 HN GLU 690 -9.804 4.701 -3.812 366 HA GLU 690 HA GLU 690 -11.561 6.192 -5.668 367 HB2 GLU 690 HB2 GLU 690 -11.870 5.822 -2.681 368 HB3 GLU 690 HB1 GLU 690 -12.869 6.872 -3.674 369 HG2 GLU 690 HG2 GLU 690 -12.658 3.887 -3.983 370 HG3 GLU 690 HG1 GLU 690 -13.950 4.733 -3.133 371 H GLY 691 HN GLY 691 -11.642 8.503 -5.295 372 HA2 GLY 691 HA2 GLY 691 -10.753 10.545 -4.646 373 HA3 GLY 691 HA1 GLY 691 -9.668 9.692 -3.557 374 H SER 692 HN SER 692 -8.221 11.427 -4.492 375 HA SER 692 HA SER 692 -6.546 10.182 -6.474 376 HB2 SER 692 HB2 SER 692 -6.520 12.269 -7.918 377 HB3 SER 692 HB1 SER 692 -7.994 11.308 -8.012 378 HG SER 692 HG SER 692 -7.761 13.463 -6.201 379 H GLY 693 HN GLY 693 -4.840 10.186 -5.089 380 HA2 GLY 693 HA2 GLY 693 -2.840 11.600 -4.748 381 HA3 GLY 693 HA1 GLY 693 -3.937 12.847 -4.177 382 H GLU 694 HN GLU 694 -3.409 13.117 -2.110 383 HA GLU 694 HA GLU 694 -2.316 11.123 -0.453 384 HB2 GLU 694 HB2 GLU 694 -1.898 13.514 -0.136 385 HB3 GLU 694 HB1 GLU 694 -3.587 13.767 0.275 386 HG2 GLU 694 HG2 GLU 694 -3.313 12.350 2.252 387 HG3 GLU 694 HG1 GLU 694 -1.614 12.118 1.841 388 H HIS 695 HN HIS 695 -5.567 12.599 -0.460 389 HA HIS 695 HA HIS 695 -6.411 10.798 1.652 390 HB2 HIS 695 HB2 HIS 695 -7.754 13.084 0.232 391 HB3 HIS 695 HB1 HIS 695 -8.639 12.028 1.326 392 HD1 HIS 695 HD1 HIS 695 -8.550 12.608 3.747 393 HD2 HIS 695 HD2 HIS 695 -5.545 14.480 1.566 394 HE1 HIS 695 HE1 HIS 695 -7.446 14.200 5.344 395 HE2 HIS 695 HE2 HIS 695 -5.728 15.422 3.967 396 H SER 696 HN SER 696 -5.726 9.504 -0.774 397 HA SER 696 HA SER 696 -8.190 8.743 -2.063 398 HB2 SER 696 HB2 SER 696 -6.666 7.063 -3.217 399 HB3 SER 696 HB1 SER 696 -6.258 8.760 -3.467 400 HG SER 696 HG SER 696 -4.468 8.523 -2.341 401 H ARG 697 HN ARG 697 -9.112 6.635 -1.966 402 HA ARG 697 HA ARG 697 -8.332 5.093 0.428 403 HB2 ARG 697 HB2 ARG 697 -11.135 5.298 -0.684 404 HB3 ARG 697 HB1 ARG 697 -10.639 4.507 0.803 405 HG2 ARG 697 HG2 ARG 697 -9.942 6.745 1.666 406 HG3 ARG 697 HG1 ARG 697 -10.676 7.456 0.227 407 HD2 ARG 697 HD2 ARG 697 -12.049 5.828 2.355 408 HD3 ARG 697 HD1 ARG 697 -12.253 7.549 2.038 409 HE ARG 697 HE ARG 697 -13.160 6.797 -0.198 410 HH11 ARG 697 HH11 ARG 697 -13.428 4.839 2.694 411 HH12 ARG 697 HH12 ARG 697 -14.838 3.995 2.145 412 HH21 ARG 697 HH21 ARG 697 -15.022 5.689 -0.917 413 HH22 ARG 697 HH22 ARG 697 -15.744 4.474 0.093 414 H LEU 698 HN LEU 698 -7.893 2.998 0.079 415 HA LEU 698 HA LEU 698 -8.261 2.023 -2.667 416 HB2 LEU 698 HB2 LEU 698 -6.552 0.796 -0.516 417 HB3 LEU 698 HB1 LEU 698 -6.483 0.513 -2.244 418 HG LEU 698 HG LEU 698 -5.814 3.184 -1.030 419 HD11 LEU 698 HD11 LEU 698 -4.342 1.517 -0.052 420 HD12 LEU 698 HD12 LEU 698 -3.464 2.519 -1.209 421 HD13 LEU 698 HD13 LEU 698 -3.966 0.889 -1.656 422 HD21 LEU 698 HD21 LEU 698 -6.320 3.220 -3.406 423 HD22 LEU 698 HD22 LEU 698 -5.187 1.899 -3.688 424 HD23 LEU 698 HD23 LEU 698 -4.592 3.471 -3.153 425 H GLN 699 HN GLN 699 -9.453 0.224 -3.098 426 HA GLN 699 HA GLN 699 -10.656 -1.136 -0.787 427 HB2 GLN 699 HB2 GLN 699 -11.589 -0.617 -3.563 428 HB3 GLN 699 HB1 GLN 699 -12.060 -2.147 -2.833 429 HG2 GLN 699 HG2 GLN 699 -13.798 -0.598 -2.400 430 HG3 GLN 699 HG1 GLN 699 -12.939 -0.866 -0.887 431 HE21 GLN 699 HE21 GLN 699 -11.781 1.169 -3.499 432 HE22 GLN 699 HE22 GLN 699 -11.919 2.661 -2.646 433 H VAL 700 HN VAL 700 -9.487 -2.734 -0.175 434 HA VAL 700 HA VAL 700 -7.882 -4.205 -2.146 435 HB VAL 700 HB VAL 700 -7.587 -4.180 0.861 436 HG11 VAL 700 HG11 VAL 700 -5.371 -5.122 0.406 437 HG12 VAL 700 HG12 VAL 700 -5.748 -5.164 -1.316 438 HG13 VAL 700 HG13 VAL 700 -6.664 -6.164 -0.188 439 HG21 VAL 700 HG21 VAL 700 -6.073 -2.603 -1.216 440 HG22 VAL 700 HG22 VAL 700 -5.671 -2.685 0.498 441 HG23 VAL 700 HG23 VAL 700 -7.189 -1.950 -0.019 442 H ALA 701 HN ALA 701 -8.481 -6.174 -2.705 443 HA ALA 701 HA ALA 701 -10.571 -7.542 -1.252 444 HB1 ALA 701 HB1 ALA 701 -10.544 -7.513 -3.712 445 HB2 ALA 701 HB2 ALA 701 -10.505 -9.152 -3.063 446 HB3 ALA 701 HB3 ALA 701 -9.030 -8.417 -3.692 447 H PHE 702 HN PHE 702 -9.686 -8.148 0.706 448 HA PHE 702 HA PHE 702 -7.283 -9.748 0.790 449 HB2 PHE 702 HB2 PHE 702 -9.337 -9.049 2.902 450 HB3 PHE 702 HB1 PHE 702 -7.923 -10.047 3.213 451 HD1 PHE 702 HD1 PHE 702 -9.181 -6.690 2.752 452 HD2 PHE 702 HD2 PHE 702 -5.663 -9.062 3.054 453 HE1 PHE 702 HE1 PHE 702 -7.859 -4.666 3.202 454 HE2 PHE 702 HE2 PHE 702 -4.332 -7.042 3.502 455 HZ PHE 702 HZ PHE 702 -5.431 -4.838 3.578 456 H GLN 703 HN GLN 703 -7.178 -11.882 0.597 457 HA GLN 703 HA GLN 703 -9.477 -13.332 -0.243 458 HB2 GLN 703 HB2 GLN 703 -7.114 -13.706 -1.043 459 HB3 GLN 703 HB1 GLN 703 -6.773 -14.454 0.510 460 HG2 GLN 703 HG2 GLN 703 -7.212 -16.118 -1.202 461 HG3 GLN 703 HG1 GLN 703 -8.433 -16.173 0.068 462 HE21 GLN 703 HE21 GLN 703 -7.769 -15.340 -3.241 463 HE22 GLN 703 HE22 GLN 703 -9.416 -15.205 -3.746 464 H GLY 704 HN GLY 704 -8.086 -12.694 2.798 465 HA2 GLY 704 HA2 GLY 704 -9.059 -15.082 4.096 466 HA3 GLY 704 HA1 GLY 704 -8.311 -13.698 4.876 467 H GLN 705 HN GLN 705 -10.538 -12.182 3.137 468 HA GLN 705 HA GLN 705 -12.862 -12.829 4.724 469 HB2 GLN 705 HB2 GLN 705 -11.480 -11.372 6.214 470 HB3 GLN 705 HB1 GLN 705 -11.631 -10.089 5.020 471 HG2 GLN 705 HG2 GLN 705 -14.062 -10.120 5.297 472 HG3 GLN 705 HG1 GLN 705 -13.900 -11.391 6.510 473 HE21 GLN 705 HE21 GLN 705 -15.030 -8.725 6.750 474 HE22 GLN 705 HE22 GLN 705 -14.143 -7.942 8.012 475 H GLY 706 HN GLY 706 -11.703 -9.918 2.986 476 HA2 GLY 706 HA2 GLY 706 -13.159 -10.276 0.657 477 HA3 GLY 706 HA1 GLY 706 -14.237 -9.473 1.789 478 H ILE 707 HN ILE 707 -14.170 -7.799 0.092 479 HA ILE 707 HA ILE 707 -11.735 -6.304 -0.263 480 HB ILE 707 HB ILE 707 -14.553 -5.595 -1.093 481 HG12 ILE 707 HG12 ILE 707 -12.329 -6.904 -2.677 482 HG13 ILE 707 HG11 ILE 707 -13.762 -7.725 -2.073 483 HG21 ILE 707 HG21 ILE 707 -13.089 -3.656 -1.015 484 HG22 ILE 707 HG22 ILE 707 -13.451 -4.082 -2.688 485 HG23 ILE 707 HG23 ILE 707 -11.887 -4.502 -1.989 486 HD11 ILE 707 HD11 ILE 707 -15.164 -6.318 -3.488 487 HD12 ILE 707 HD12 ILE 707 -13.973 -7.213 -4.430 488 HD13 ILE 707 HD13 ILE 707 -13.725 -5.501 -4.096 489 H LYS 708 HN LYS 708 -11.006 -4.806 1.066 490 HA LYS 708 HA LYS 708 -12.898 -3.553 2.942 491 HB2 LYS 708 HB2 LYS 708 -9.979 -4.227 3.279 492 HB3 LYS 708 HB1 LYS 708 -10.889 -3.234 4.406 493 HG2 LYS 708 HG2 LYS 708 -12.415 -5.115 4.805 494 HG3 LYS 708 HG1 LYS 708 -11.456 -6.106 3.705 495 HD2 LYS 708 HD2 LYS 708 -9.496 -5.776 5.170 496 HD3 LYS 708 HD1 LYS 708 -10.513 -4.864 6.287 497 HE2 LYS 708 HE2 LYS 708 -11.981 -6.876 6.464 498 HE3 LYS 708 HE1 LYS 708 -10.794 -7.758 5.504 499 HZ1 LYS 708 HZ1 LYS 708 -10.540 -8.096 7.907 500 HZ2 LYS 708 HZ2 LYS 708 -10.221 -6.447 8.105 501 HZ3 LYS 708 HZ3 LYS 708 -9.162 -7.414 7.206 502 H TRP 709 HN TRP 709 -12.386 -1.406 3.641 503 HA TRP 709 HA TRP 709 -11.298 0.219 1.468 504 HB2 TRP 709 HB2 TRP 709 -12.476 2.093 2.626 505 HB3 TRP 709 HB1 TRP 709 -13.558 0.792 2.141 506 HD1 TRP 709 HD1 TRP 709 -14.276 -0.951 4.205 507 HE1 TRP 709 HE1 TRP 709 -14.717 -0.427 6.680 508 HE3 TRP 709 HE3 TRP 709 -11.934 3.583 4.492 509 HZ2 TRP 709 HZ2 TRP 709 -14.168 1.653 8.509 510 HZ3 TRP 709 HZ3 TRP 709 -11.945 4.779 6.643 511 HH2 TRP 709 HH2 TRP 709 -13.040 3.829 8.607 512 H LEU 710 HN LEU 710 -9.292 0.916 1.657 513 HA LEU 710 HA LEU 710 -8.243 1.475 4.355 514 HB2 LEU 710 HB2 LEU 710 -6.851 0.319 1.945 515 HB3 LEU 710 HB1 LEU 710 -5.965 1.033 3.274 516 HG LEU 710 HG LEU 710 -5.912 -1.315 3.593 517 HD11 LEU 710 HD11 LEU 710 -8.036 -0.215 5.420 518 HD12 LEU 710 HD12 LEU 710 -6.298 0.001 5.615 519 HD13 LEU 710 HD13 LEU 710 -7.004 -1.610 5.729 520 HD21 LEU 710 HD21 LEU 710 -8.907 -1.311 3.267 521 HD22 LEU 710 HD22 LEU 710 -7.930 -2.702 3.730 522 HD23 LEU 710 HD23 LEU 710 -7.729 -1.977 2.136 523 H VAL 711 HN VAL 711 -8.254 3.626 4.590 524 HA VAL 711 HA VAL 711 -7.988 5.477 2.454 525 HB VAL 711 HB VAL 711 -7.471 5.965 5.398 526 HG11 VAL 711 HG11 VAL 711 -8.153 7.883 3.168 527 HG12 VAL 711 HG12 VAL 711 -6.584 7.723 3.955 528 HG13 VAL 711 HG13 VAL 711 -7.974 8.304 4.870 529 HG21 VAL 711 HG21 VAL 711 -9.790 6.740 5.503 530 HG22 VAL 711 HG22 VAL 711 -9.703 5.040 5.039 531 HG23 VAL 711 HG23 VAL 711 -10.025 6.271 3.818 532 H ALA 712 HN ALA 712 -6.205 5.660 1.286 533 HA ALA 712 HA ALA 712 -3.915 4.221 1.702 534 HB1 ALA 712 HB1 ALA 712 -2.968 5.407 -0.156 535 HB2 ALA 712 HB2 ALA 712 -4.091 6.748 0.075 536 HB3 ALA 712 HB3 ALA 712 -4.696 5.174 -0.448 537 H ALA 713 HN ALA 713 -4.369 7.670 2.424 538 HA ALA 713 HA ALA 713 -1.709 8.240 3.103 539 HB1 ALA 713 HB1 ALA 713 -4.197 9.603 4.110 540 HB2 ALA 713 HB2 ALA 713 -3.383 9.954 2.586 541 HB3 ALA 713 HB3 ALA 713 -2.563 10.266 4.118 542 H TYR 714 HN TYR 714 -4.082 6.500 4.863 543 HA TYR 714 HA TYR 714 -2.369 6.618 7.257 544 HB2 TYR 714 HB2 TYR 714 -5.394 6.484 7.187 545 HB3 TYR 714 HB1 TYR 714 -4.414 6.331 8.642 546 HD1 TYR 714 HD1 TYR 714 -3.126 8.283 9.469 547 HD2 TYR 714 HD2 TYR 714 -5.854 8.619 6.222 548 HE1 TYR 714 HE1 TYR 714 -3.139 10.726 9.739 549 HE2 TYR 714 HE2 TYR 714 -5.874 11.064 6.484 550 HH TYR 714 HH TYR 714 -3.603 12.714 8.420 551 H ALA 715 HN ALA 715 -3.054 4.783 4.803 552 HA ALA 715 HA ALA 715 -3.697 2.314 6.216 553 HB1 ALA 715 HB1 ALA 715 -3.244 2.756 3.266 554 HB2 ALA 715 HB2 ALA 715 -4.811 2.847 4.067 555 HB3 ALA 715 HB3 ALA 715 -3.928 1.321 4.028 556 H ARG 716 HN ARG 716 -1.200 3.568 4.027 557 HA ARG 716 HA ARG 716 0.953 2.966 3.633 558 HB2 ARG 716 HB2 ARG 716 0.906 2.225 6.566 559 HB3 ARG 716 HB1 ARG 716 2.346 2.510 5.599 560 HG2 ARG 716 HG2 ARG 716 0.241 4.533 6.336 561 HG3 ARG 716 HG1 ARG 716 1.887 4.434 6.964 562 HD2 ARG 716 HD2 ARG 716 2.739 4.822 4.673 563 HD3 ARG 716 HD1 ARG 716 1.077 5.026 4.120 564 HE ARG 716 HE ARG 716 2.128 6.762 6.238 565 HH11 ARG 716 HH11 ARG 716 0.836 6.372 3.000 566 HH12 ARG 716 HH12 ARG 716 0.661 8.077 2.740 567 HH21 ARG 716 HH21 ARG 716 1.898 8.994 5.890 568 HH22 ARG 716 HH22 ARG 716 1.287 9.570 4.368 569 H LEU 717 HN LEU 717 0.083 1.225 2.290 570 HA LEU 717 HA LEU 717 0.282 -1.448 3.470 571 HB2 LEU 717 HB2 LEU 717 -1.080 -0.294 1.104 572 HB3 LEU 717 HB1 LEU 717 -0.501 -1.935 0.950 573 HG LEU 717 HG LEU 717 -2.833 -1.936 1.582 574 HD11 LEU 717 HD11 LEU 717 -1.412 -3.716 2.489 575 HD12 LEU 717 HD12 LEU 717 -2.757 -3.325 3.559 576 HD13 LEU 717 HD13 LEU 717 -1.136 -2.745 3.934 577 HD21 LEU 717 HD21 LEU 717 -2.938 0.242 2.642 578 HD22 LEU 717 HD22 LEU 717 -1.984 -0.359 3.999 579 HD23 LEU 717 HD23 LEU 717 -3.596 -1.006 3.698 580 H GLU 718 HN GLU 718 1.906 -2.796 3.031 581 HA GLU 718 HA GLU 718 4.140 -1.773 1.519 582 HB2 GLU 718 HB2 GLU 718 4.511 -2.927 3.661 583 HB3 GLU 718 HB1 GLU 718 3.799 -4.392 3.001 584 HG2 GLU 718 HG2 GLU 718 6.243 -4.482 3.045 585 HG3 GLU 718 HG1 GLU 718 5.602 -4.596 1.407 586 H SER 719 HN SER 719 5.001 -2.669 -0.318 587 HA SER 719 HA SER 719 3.092 -3.985 -2.039 588 HB2 SER 719 HB2 SER 719 5.020 -3.727 -3.707 589 HB3 SER 719 HB1 SER 719 4.320 -2.242 -3.065 590 HG SER 719 HG SER 719 6.342 -3.169 -1.495 591 H VAL 720 HN VAL 720 2.906 -6.116 -2.160 592 HA VAL 720 HA VAL 720 4.775 -7.943 -1.067 593 HB VAL 720 HB VAL 720 2.576 -8.502 -3.069 594 HG11 VAL 720 HG11 VAL 720 4.007 -10.349 -1.162 595 HG12 VAL 720 HG12 VAL 720 4.204 -10.312 -2.915 596 HG13 VAL 720 HG13 VAL 720 2.658 -10.787 -2.210 597 HG21 VAL 720 HG21 VAL 720 1.641 -7.442 -1.123 598 HG22 VAL 720 HG22 VAL 720 2.540 -8.523 -0.059 599 HG23 VAL 720 HG23 VAL 720 1.253 -9.164 -1.082 Start of MODEL 3 1 H1 ARG 645 HT1 ARG 645 6.360 -16.875 1.002 2 H2 ARG 645 HT2 ARG 645 5.852 -18.464 1.255 3 H3 ARG 645 HT3 ARG 645 6.153 -17.913 -0.312 4 HA ARG 645 HA ARG 645 8.476 -17.651 0.159 5 HB2 ARG 645 HB2 ARG 645 8.398 -17.077 2.488 6 HB3 ARG 645 HB1 ARG 645 7.664 -18.618 2.904 7 HG2 ARG 645 HG2 ARG 645 9.995 -18.582 3.551 8 HG3 ARG 645 HG1 ARG 645 9.729 -19.771 2.276 9 HD2 ARG 645 HD2 ARG 645 10.557 -18.151 0.621 10 HD3 ARG 645 HD1 ARG 645 10.857 -16.998 1.920 11 HE ARG 645 HE ARG 645 12.304 -19.069 2.751 12 HH11 ARG 645 HH11 ARG 645 12.064 -17.603 -0.419 13 HH12 ARG 645 HH12 ARG 645 13.679 -18.022 -0.879 14 HH21 ARG 645 HH21 ARG 645 14.432 -19.624 2.153 15 HH22 ARG 645 HH22 ARG 645 15.031 -19.180 0.586 16 H LEU 646 HN LEU 646 6.591 -20.347 1.548 17 HA LEU 646 HA LEU 646 8.452 -22.325 0.742 18 HB2 LEU 646 HB2 LEU 646 6.940 -22.678 2.605 19 HB3 LEU 646 HB1 LEU 646 5.556 -22.548 1.542 20 HG LEU 646 HG LEU 646 6.308 -24.607 0.371 21 HD11 LEU 646 HD11 LEU 646 8.339 -24.698 2.594 22 HD12 LEU 646 HD12 LEU 646 8.672 -24.513 0.872 23 HD13 LEU 646 HD13 LEU 646 7.985 -26.018 1.481 24 HD21 LEU 646 HD21 LEU 646 5.611 -26.136 2.130 25 HD22 LEU 646 HD22 LEU 646 4.619 -24.677 2.139 26 HD23 LEU 646 HD23 LEU 646 5.891 -24.889 3.341 27 H ARG 647 HN ARG 647 5.119 -21.767 -0.450 28 HA ARG 647 HA ARG 647 5.807 -23.209 -2.886 29 HB2 ARG 647 HB2 ARG 647 3.435 -23.113 -3.425 30 HB3 ARG 647 HB1 ARG 647 3.660 -23.708 -1.788 31 HG2 ARG 647 HG2 ARG 647 2.997 -21.602 -0.865 32 HG3 ARG 647 HG1 ARG 647 2.956 -20.864 -2.464 33 HD2 ARG 647 HD2 ARG 647 1.168 -22.458 -3.099 34 HD3 ARG 647 HD1 ARG 647 1.170 -23.064 -1.445 35 HE ARG 647 HE ARG 647 0.785 -20.376 -1.177 36 HH11 ARG 647 HH11 ARG 647 -0.836 -22.942 -2.918 37 HH12 ARG 647 HH12 ARG 647 -2.396 -22.180 -2.854 38 HH21 ARG 647 HH21 ARG 647 -1.276 -19.365 -1.086 39 HH22 ARG 647 HH22 ARG 647 -2.642 -20.147 -1.810 40 H ALA 648 HN ALA 648 7.054 -20.682 -2.395 41 HA ALA 648 HA ALA 648 5.749 -18.756 -4.118 42 HB1 ALA 648 HB1 ALA 648 6.967 -18.035 -2.095 43 HB2 ALA 648 HB2 ALA 648 7.594 -17.291 -3.565 44 HB3 ALA 648 HB3 ALA 648 8.464 -18.627 -2.812 45 H THR 649 HN THR 649 5.817 -19.193 -6.227 46 HA THR 649 HA THR 649 8.087 -20.518 -7.430 47 HB THR 649 HB THR 649 5.727 -19.301 -8.878 48 HG1 THR 649 HG1 THR 649 5.218 -21.812 -8.653 49 HG21 THR 649 HG21 THR 649 7.544 -21.624 -9.542 50 HG22 THR 649 HG22 THR 649 7.609 -20.024 -10.281 51 HG23 THR 649 HG23 THR 649 6.199 -21.054 -10.527 52 H VAL 650 HN VAL 650 9.322 -18.540 -6.469 53 HA VAL 650 HA VAL 650 9.248 -16.179 -8.151 54 HB VAL 650 HB VAL 650 11.181 -16.864 -5.925 55 HG11 VAL 650 HG11 VAL 650 12.052 -15.175 -7.443 56 HG12 VAL 650 HG12 VAL 650 11.637 -14.454 -5.889 57 HG13 VAL 650 HG13 VAL 650 10.570 -14.236 -7.276 58 HG21 VAL 650 HG21 VAL 650 9.818 -15.397 -4.519 59 HG22 VAL 650 HG22 VAL 650 8.887 -16.777 -5.101 60 HG23 VAL 650 HG23 VAL 650 8.671 -15.192 -5.843 61 H SER 651 HN SER 651 9.803 -17.093 -10.152 62 HA SER 651 HA SER 651 12.383 -18.387 -10.427 63 HB2 SER 651 HB2 SER 651 10.268 -17.689 -12.475 64 HB3 SER 651 HB1 SER 651 11.733 -18.615 -12.808 65 HG SER 651 HG SER 651 9.583 -19.710 -12.206 66 H ARG 652 HN ARG 652 12.298 -15.663 -9.524 67 HA ARG 652 HA ARG 652 13.552 -14.245 -11.765 68 HB2 ARG 652 HB2 ARG 652 11.654 -13.091 -10.692 69 HB3 ARG 652 HB1 ARG 652 12.485 -13.167 -9.146 70 HG2 ARG 652 HG2 ARG 652 14.269 -11.756 -10.031 71 HG3 ARG 652 HG1 ARG 652 13.433 -11.681 -11.583 72 HD2 ARG 652 HD2 ARG 652 11.499 -10.645 -10.451 73 HD3 ARG 652 HD1 ARG 652 12.409 -10.655 -8.939 74 HE ARG 652 HE ARG 652 13.893 -9.345 -10.957 75 HH11 ARG 652 HH11 ARG 652 11.150 -8.892 -8.832 76 HH12 ARG 652 HH12 ARG 652 11.241 -7.161 -8.874 77 HH21 ARG 652 HH21 ARG 652 14.019 -7.059 -11.004 78 HH22 ARG 652 HH22 ARG 652 12.876 -6.120 -10.097 79 HA PRO 653 HA PRO 653 17.357 -15.249 -9.570 80 HB2 PRO 653 HB2 PRO 653 19.012 -14.084 -11.394 81 HB3 PRO 653 HB1 PRO 653 18.313 -15.691 -11.614 82 HG2 PRO 653 HG2 PRO 653 17.431 -13.069 -12.752 83 HG3 PRO 653 HG1 PRO 653 17.541 -14.652 -13.542 84 HD2 PRO 653 HD2 PRO 653 15.201 -13.634 -12.658 85 HD3 PRO 653 HD1 PRO 653 15.540 -15.377 -12.651 86 H VAL 654 HN VAL 654 19.116 -13.983 -8.639 87 HA VAL 654 HA VAL 654 20.095 -12.171 -7.664 88 HB VAL 654 HB VAL 654 18.214 -10.508 -9.354 89 HG11 VAL 654 HG11 VAL 654 18.913 -9.246 -7.412 90 HG12 VAL 654 HG12 VAL 654 19.730 -8.636 -8.850 91 HG13 VAL 654 HG13 VAL 654 20.599 -9.666 -7.713 92 HG21 VAL 654 HG21 VAL 654 21.128 -11.189 -9.735 93 HG22 VAL 654 HG22 VAL 654 20.189 -10.089 -10.743 94 HG23 VAL 654 HG23 VAL 654 19.780 -11.803 -10.692 95 H SER 655 HN SER 655 16.610 -12.371 -7.779 96 HA SER 655 HA SER 655 16.204 -10.684 -5.492 97 HB2 SER 655 HB2 SER 655 14.565 -10.971 -7.393 98 HB3 SER 655 HB1 SER 655 14.224 -12.582 -6.765 99 HG SER 655 HG SER 655 13.747 -10.076 -5.543 100 H HIS 656 HN HIS 656 17.563 -11.729 -3.967 101 HA HIS 656 HA HIS 656 16.608 -14.290 -2.918 102 HB2 HIS 656 HB2 HIS 656 18.570 -14.247 -1.462 103 HB3 HIS 656 HB1 HIS 656 19.057 -13.981 -3.130 104 HD1 HIS 656 HD1 HIS 656 19.104 -12.445 0.231 105 HD2 HIS 656 HD2 HIS 656 19.942 -11.310 -3.681 106 HE1 HIS 656 HE1 HIS 656 20.398 -10.300 0.412 107 HE2 HIS 656 HE2 HIS 656 21.036 -9.724 -1.954 108 H GLN 657 HN GLN 657 15.858 -14.494 -0.750 109 HA GLN 657 HA GLN 657 14.462 -13.893 0.941 110 HB2 GLN 657 HB2 GLN 657 16.530 -12.821 1.773 111 HB3 GLN 657 HB1 GLN 657 16.113 -11.353 0.906 112 HG2 GLN 657 HG2 GLN 657 15.616 -11.162 3.277 113 HG3 GLN 657 HG1 GLN 657 14.150 -11.059 2.306 114 HE21 GLN 657 HE21 GLN 657 15.977 -12.977 4.547 115 HE22 GLN 657 HE22 GLN 657 14.707 -14.083 4.947 116 H ARG 658 HN ARG 658 13.000 -13.821 -1.069 117 HA ARG 658 HA ARG 658 12.082 -11.144 -1.754 118 HB2 ARG 658 HB2 ARG 658 12.455 -13.246 -3.339 119 HB3 ARG 658 HB1 ARG 658 10.806 -13.607 -2.857 120 HG2 ARG 658 HG2 ARG 658 11.703 -11.028 -4.125 121 HG3 ARG 658 HG1 ARG 658 10.962 -12.374 -4.986 122 HD2 ARG 658 HD2 ARG 658 8.935 -12.127 -3.683 123 HD3 ARG 658 HD1 ARG 658 9.678 -10.843 -2.729 124 HE ARG 658 HE ARG 658 9.811 -10.094 -5.410 125 HH11 ARG 658 HH11 ARG 658 7.365 -10.698 -2.979 126 HH12 ARG 658 HH12 ARG 658 6.226 -9.564 -3.652 127 HH21 ARG 658 HH21 ARG 658 8.328 -8.596 -6.294 128 HH22 ARG 658 HH22 ARG 658 6.787 -8.368 -5.532 129 H MET 659 HN MET 659 11.418 -11.104 0.656 130 HA MET 659 HA MET 659 8.768 -12.289 1.025 131 HB2 MET 659 HB2 MET 659 10.402 -12.445 2.883 132 HB3 MET 659 HB1 MET 659 10.438 -10.689 2.976 133 HG2 MET 659 HG2 MET 659 9.009 -11.712 4.690 134 HG3 MET 659 HG1 MET 659 8.123 -10.624 3.620 135 HE1 MET 659 HE1 MET 659 5.806 -11.592 4.386 136 HE2 MET 659 HE2 MET 659 6.625 -12.673 5.512 137 HE3 MET 659 HE3 MET 659 5.409 -13.309 4.405 138 H GLY 660 HN GLY 660 10.372 -9.251 0.518 139 HA2 GLY 660 HA2 GLY 660 7.972 -8.035 -0.427 140 HA3 GLY 660 HA1 GLY 660 8.443 -7.395 1.144 141 H THR 661 HN THR 661 8.601 -5.382 -0.197 142 HA THR 661 HA THR 661 11.249 -5.235 -1.470 143 HB THR 661 HB THR 661 10.224 -3.033 -2.436 144 HG1 THR 661 HG1 THR 661 8.264 -3.223 -1.189 145 HG21 THR 661 HG21 THR 661 9.392 -5.765 -3.423 146 HG22 THR 661 HG22 THR 661 10.899 -4.932 -3.803 147 HG23 THR 661 HG23 THR 661 9.364 -4.281 -4.378 148 HA PRO 662 HA PRO 662 12.038 -2.815 2.282 149 HB2 PRO 662 HB2 PRO 662 14.730 -2.641 1.877 150 HB3 PRO 662 HB1 PRO 662 13.945 -4.045 2.611 151 HG2 PRO 662 HG2 PRO 662 14.868 -3.648 -0.207 152 HG3 PRO 662 HG1 PRO 662 15.017 -5.078 0.830 153 HD2 PRO 662 HD2 PRO 662 13.128 -4.871 -1.089 154 HD3 PRO 662 HD1 PRO 662 12.846 -5.749 0.426 155 H MET 663 HN MET 663 12.835 -2.138 -1.027 156 HA MET 663 HA MET 663 12.773 0.747 -0.421 157 HB2 MET 663 HB2 MET 663 14.416 -0.558 -2.605 158 HB3 MET 663 HB1 MET 663 14.360 1.156 -2.225 159 HG2 MET 663 HG2 MET 663 15.462 -1.015 -0.457 160 HG3 MET 663 HG1 MET 663 16.403 0.127 -1.413 161 HE1 MET 663 HE1 MET 663 17.067 1.288 2.271 162 HE2 MET 663 HE2 MET 663 17.804 0.788 0.748 163 HE3 MET 663 HE3 MET 663 16.866 -0.367 1.694 164 H VAL 664 HN VAL 664 11.354 1.893 -1.596 165 HA VAL 664 HA VAL 664 9.927 0.399 -3.677 166 HB VAL 664 HB VAL 664 8.030 2.068 -3.159 167 HG11 VAL 664 HG11 VAL 664 7.163 0.579 -1.416 168 HG12 VAL 664 HG12 VAL 664 8.776 -0.102 -1.206 169 HG13 VAL 664 HG13 VAL 664 7.915 -0.324 -2.730 170 HG21 VAL 664 HG21 VAL 664 9.606 2.242 -0.596 171 HG22 VAL 664 HG22 VAL 664 7.946 2.796 -0.811 172 HG23 VAL 664 HG23 VAL 664 9.255 3.572 -1.700 173 H GLU 665 HN GLU 665 10.475 3.844 -2.817 174 HA GLU 665 HA GLU 665 10.638 5.696 -4.130 175 HB2 GLU 665 HB2 GLU 665 12.355 3.724 -5.620 176 HB3 GLU 665 HB1 GLU 665 12.197 5.391 -6.144 177 HG2 GLU 665 HG2 GLU 665 14.191 5.185 -4.864 178 HG3 GLU 665 HG1 GLU 665 13.025 6.114 -3.927 179 H ASN 666 HN ASN 666 8.242 5.026 -4.482 180 HA ASN 666 HA ASN 666 7.773 4.809 -7.381 181 HB2 ASN 666 HB2 ASN 666 7.164 2.799 -5.767 182 HB3 ASN 666 HB1 ASN 666 5.756 3.789 -5.414 183 HD21 ASN 666 HD21 ASN 666 5.977 1.188 -6.736 184 HD22 ASN 666 HD22 ASN 666 5.230 1.382 -8.284 185 H ASP 667 HN ASP 667 5.056 5.300 -7.398 186 HA ASP 667 HA ASP 667 4.911 8.102 -7.102 187 HB2 ASP 667 HB2 ASP 667 2.982 5.946 -7.804 188 HB3 ASP 667 HB1 ASP 667 2.320 7.500 -7.314 189 H SER 668 HN SER 668 3.035 9.154 -5.881 190 HA SER 668 HA SER 668 3.355 8.513 -3.094 191 HB2 SER 668 HB2 SER 668 3.282 10.865 -3.921 192 HB3 SER 668 HB1 SER 668 1.596 10.623 -4.375 193 HG SER 668 HG SER 668 1.963 9.850 -1.833 194 H GLY 669 HN GLY 669 1.069 7.871 -5.589 195 HA2 GLY 669 HA2 GLY 669 -0.912 6.952 -3.636 196 HA3 GLY 669 HA1 GLY 669 -1.209 7.222 -5.347 197 H TYR 670 HN TYR 670 -2.178 5.046 -5.084 198 HA TYR 670 HA TYR 670 -0.133 2.935 -5.238 199 HB2 TYR 670 HB2 TYR 670 -2.904 2.898 -4.067 200 HB3 TYR 670 HB1 TYR 670 -2.073 1.412 -4.518 201 HD1 TYR 670 HD1 TYR 670 -0.435 0.467 -3.110 202 HD2 TYR 670 HD2 TYR 670 -1.837 4.410 -2.342 203 HE1 TYR 670 HE1 TYR 670 0.753 0.464 -0.958 204 HE2 TYR 670 HE2 TYR 670 -0.653 4.416 -0.188 205 HH TYR 670 HH TYR 670 1.642 1.991 0.649 206 H LYS 671 HN LYS 671 -0.898 0.992 -6.501 207 HA LYS 671 HA LYS 671 -2.310 1.904 -8.918 208 HB2 LYS 671 HB2 LYS 671 -0.000 -0.048 -8.799 209 HB3 LYS 671 HB1 LYS 671 -0.791 0.550 -10.251 210 HG2 LYS 671 HG2 LYS 671 0.829 2.195 -8.313 211 HG3 LYS 671 HG1 LYS 671 1.358 1.637 -9.899 212 HD2 LYS 671 HD2 LYS 671 -1.023 3.432 -9.447 213 HD3 LYS 671 HD1 LYS 671 0.595 4.021 -9.823 214 HE2 LYS 671 HE2 LYS 671 -0.994 2.135 -11.559 215 HE3 LYS 671 HE1 LYS 671 -0.902 3.878 -11.799 216 HZ1 LYS 671 HZ1 LYS 671 1.403 2.006 -11.873 217 HZ2 LYS 671 HZ2 LYS 671 1.477 3.676 -12.129 218 HZ3 LYS 671 HZ3 LYS 671 0.646 2.690 -13.221 219 H LEU 672 HN LEU 672 -3.759 0.511 -9.828 220 HA LEU 672 HA LEU 672 -4.876 -1.485 -8.143 221 HB2 LEU 672 HB2 LEU 672 -5.426 -0.899 -11.054 222 HB3 LEU 672 HB1 LEU 672 -6.413 -1.910 -10.017 223 HG LEU 672 HG LEU 672 -5.990 1.064 -9.771 224 HD11 LEU 672 HD11 LEU 672 -8.373 1.188 -10.205 225 HD12 LEU 672 HD12 LEU 672 -8.452 -0.568 -10.341 226 HD13 LEU 672 HD13 LEU 672 -7.541 0.367 -11.525 227 HD21 LEU 672 HD21 LEU 672 -7.617 0.911 -7.905 228 HD22 LEU 672 HD22 LEU 672 -6.066 0.154 -7.552 229 HD23 LEU 672 HD23 LEU 672 -7.461 -0.844 -7.962 230 H GLY 673 HN GLY 673 -4.867 -3.689 -8.304 231 HA2 GLY 673 HA2 GLY 673 -4.277 -5.771 -9.236 232 HA3 GLY 673 HA1 GLY 673 -3.236 -4.941 -10.384 233 H GLN 674 HN GLN 674 -2.394 -3.400 -7.768 234 HA GLN 674 HA GLN 674 -0.052 -5.016 -7.304 235 HB2 GLN 674 HB2 GLN 674 -0.165 -2.449 -7.371 236 HB3 GLN 674 HB1 GLN 674 -0.873 -2.559 -5.769 237 HG2 GLN 674 HG2 GLN 674 1.420 -2.114 -5.470 238 HG3 GLN 674 HG1 GLN 674 1.176 -3.809 -5.048 239 HE21 GLN 674 HE21 GLN 674 2.110 -5.401 -6.326 240 HE22 GLN 674 HE22 GLN 674 3.259 -5.048 -7.565 241 H ARG 675 HN ARG 675 0.449 -6.118 -5.426 242 HA ARG 675 HA ARG 675 -1.790 -6.641 -3.633 243 HB2 ARG 675 HB2 ARG 675 0.862 -8.064 -3.798 244 HB3 ARG 675 HB1 ARG 675 -0.543 -8.570 -2.875 245 HG2 ARG 675 HG2 ARG 675 -1.777 -8.967 -4.924 246 HG3 ARG 675 HG1 ARG 675 -0.406 -8.396 -5.877 247 HD2 ARG 675 HD2 ARG 675 -0.533 -10.832 -4.116 248 HD3 ARG 675 HD1 ARG 675 -0.347 -10.782 -5.868 249 HE ARG 675 HE ARG 675 1.743 -9.460 -4.332 250 HH11 ARG 675 HH11 ARG 675 0.701 -12.361 -5.993 251 HH12 ARG 675 HH12 ARG 675 2.304 -13.003 -6.142 252 HH21 ARG 675 HH21 ARG 675 3.857 -10.298 -4.525 253 HH22 ARG 675 HH22 ARG 675 4.100 -11.834 -5.309 254 H VAL 676 HN VAL 676 -1.668 -6.296 -1.468 255 HA VAL 676 HA VAL 676 0.625 -4.692 -0.542 256 HB VAL 676 HB VAL 676 -0.957 -3.486 0.913 257 HG11 VAL 676 HG11 VAL 676 -1.644 -3.387 -2.016 258 HG12 VAL 676 HG12 VAL 676 -0.321 -2.527 -1.228 259 HG13 VAL 676 HG13 VAL 676 -1.993 -2.125 -0.835 260 HG21 VAL 676 HG21 VAL 676 -3.060 -5.002 -0.621 261 HG22 VAL 676 HG22 VAL 676 -3.367 -3.678 0.505 262 HG23 VAL 676 HG23 VAL 676 -2.679 -5.195 1.093 263 H ARG 677 HN ARG 677 1.108 -4.844 1.704 264 HA ARG 677 HA ARG 677 -0.007 -7.216 3.031 265 HB2 ARG 677 HB2 ARG 677 2.276 -7.590 1.997 266 HB3 ARG 677 HB1 ARG 677 2.897 -6.420 3.153 267 HG2 ARG 677 HG2 ARG 677 1.919 -7.889 4.962 268 HG3 ARG 677 HG1 ARG 677 1.679 -9.103 3.703 269 HD2 ARG 677 HD2 ARG 677 3.774 -9.524 4.828 270 HD3 ARG 677 HD1 ARG 677 4.093 -8.981 3.181 271 HE ARG 677 HE ARG 677 4.097 -6.894 5.182 272 HH11 ARG 677 HH11 ARG 677 6.025 -9.203 3.384 273 HH12 ARG 677 HH12 ARG 677 7.519 -8.370 3.675 274 HH21 ARG 677 HH21 ARG 677 6.050 -5.790 5.552 275 HH22 ARG 677 HH22 ARG 677 7.530 -6.426 4.912 276 H HIS 678 HN HIS 678 -0.650 -6.880 5.033 277 HA HIS 678 HA HIS 678 0.480 -4.656 6.594 278 HB2 HIS 678 HB2 HIS 678 -2.100 -4.662 5.464 279 HB3 HIS 678 HB1 HIS 678 -2.334 -5.046 7.165 280 HD1 HIS 678 HD1 HIS 678 0.446 -2.732 6.203 281 HD2 HIS 678 HD2 HIS 678 -3.457 -2.514 7.623 282 HE1 HIS 678 HE1 HIS 678 0.122 -0.351 6.931 283 HE2 HIS 678 HE2 HIS 678 -2.169 -0.299 7.969 284 H ALA 679 HN ALA 679 0.846 -5.216 8.719 285 HA ALA 679 HA ALA 679 1.102 -7.990 9.190 286 HB1 ALA 679 HB1 ALA 679 2.671 -6.340 10.075 287 HB2 ALA 679 HB2 ALA 679 2.003 -7.346 11.359 288 HB3 ALA 679 HB3 ALA 679 1.409 -5.702 11.129 289 H LYS 680 HN LYS 680 -1.358 -5.707 9.992 290 HA LYS 680 HA LYS 680 -2.544 -7.474 11.980 291 HB2 LYS 680 HB2 LYS 680 -3.105 -4.659 11.121 292 HB3 LYS 680 HB1 LYS 680 -4.240 -5.547 12.125 293 HG2 LYS 680 HG2 LYS 680 -2.900 -4.222 13.570 294 HG3 LYS 680 HG1 LYS 680 -2.396 -5.897 13.774 295 HD2 LYS 680 HD2 LYS 680 -0.517 -5.437 12.191 296 HD3 LYS 680 HD1 LYS 680 -0.983 -3.736 12.222 297 HE2 LYS 680 HE2 LYS 680 -0.167 -5.372 14.620 298 HE3 LYS 680 HE1 LYS 680 0.864 -4.227 13.767 299 HZ1 LYS 680 HZ1 LYS 680 -0.061 -3.208 15.717 300 HZ2 LYS 680 HZ2 LYS 680 -1.635 -3.590 15.238 301 HZ3 LYS 680 HZ3 LYS 680 -0.729 -2.470 14.349 302 H PHE 681 HN PHE 681 -3.082 -6.384 8.709 303 HA PHE 681 HA PHE 681 -5.747 -7.622 8.715 304 HB2 PHE 681 HB2 PHE 681 -4.493 -5.729 6.725 305 HB3 PHE 681 HB1 PHE 681 -6.109 -6.411 6.582 306 HD1 PHE 681 HD1 PHE 681 -6.591 -6.158 9.690 307 HD2 PHE 681 HD2 PHE 681 -5.319 -3.476 6.643 308 HE1 PHE 681 HE1 PHE 681 -7.506 -4.274 10.974 309 HE2 PHE 681 HE2 PHE 681 -6.228 -1.587 7.925 310 HZ PHE 681 HZ PHE 681 -7.322 -1.983 10.094 311 H GLY 682 HN GLY 682 -2.599 -8.304 7.708 312 HA2 GLY 682 HA2 GLY 682 -2.020 -10.398 6.734 313 HA3 GLY 682 HA1 GLY 682 -3.622 -10.475 6.013 314 H GLU 683 HN GLU 683 -3.371 -10.484 3.861 315 HA GLU 683 HA GLU 683 -1.985 -8.231 2.657 316 HB2 GLU 683 HB2 GLU 683 -0.782 -9.665 1.051 317 HB3 GLU 683 HB1 GLU 683 -0.257 -9.945 2.704 318 HG2 GLU 683 HG2 GLU 683 -1.663 -11.946 2.799 319 HG3 GLU 683 HG1 GLU 683 -2.143 -11.675 1.127 320 H GLY 684 HN GLY 684 -2.718 -7.738 0.538 321 HA2 GLY 684 HA2 GLY 684 -4.873 -9.368 -0.548 322 HA3 GLY 684 HA1 GLY 684 -5.351 -7.792 0.065 323 H THR 685 HN THR 685 -5.953 -8.037 -2.411 324 HA THR 685 HA THR 685 -3.782 -6.739 -3.920 325 HB THR 685 HB THR 685 -6.124 -8.295 -5.041 326 HG1 THR 685 HG1 THR 685 -4.380 -9.506 -3.909 327 HG21 THR 685 HG21 THR 685 -5.307 -6.536 -6.538 328 HG22 THR 685 HG22 THR 685 -4.911 -8.136 -7.165 329 HG23 THR 685 HG23 THR 685 -3.666 -7.161 -6.384 330 H ILE 686 HN ILE 686 -4.120 -4.692 -4.516 331 HA ILE 686 HA ILE 686 -6.545 -3.340 -3.819 332 HB ILE 686 HB ILE 686 -4.337 -2.313 -5.607 333 HG12 ILE 686 HG12 ILE 686 -4.551 -2.113 -2.591 334 HG13 ILE 686 HG11 ILE 686 -3.427 -3.160 -3.453 335 HG21 ILE 686 HG21 ILE 686 -6.379 -0.982 -5.629 336 HG22 ILE 686 HG22 ILE 686 -5.079 -0.113 -4.813 337 HG23 ILE 686 HG23 ILE 686 -6.352 -0.888 -3.868 338 HD11 ILE 686 HD11 ILE 686 -3.485 -0.150 -3.568 339 HD12 ILE 686 HD12 ILE 686 -2.363 -1.194 -4.440 340 HD13 ILE 686 HD13 ILE 686 -2.328 -1.139 -2.679 341 H VAL 687 HN VAL 687 -8.341 -3.814 -4.952 342 HA VAL 687 HA VAL 687 -8.098 -4.386 -7.807 343 HB VAL 687 HB VAL 687 -10.429 -5.187 -7.662 344 HG11 VAL 687 HG11 VAL 687 -8.568 -6.728 -7.297 345 HG12 VAL 687 HG12 VAL 687 -9.969 -7.177 -6.326 346 HG13 VAL 687 HG13 VAL 687 -8.598 -6.362 -5.572 347 HG21 VAL 687 HG21 VAL 687 -11.236 -3.737 -5.880 348 HG22 VAL 687 HG22 VAL 687 -10.169 -4.537 -4.725 349 HG23 VAL 687 HG23 VAL 687 -11.499 -5.430 -5.464 350 H ASN 688 HN ASN 688 -9.275 -1.970 -5.643 351 HA ASN 688 HA ASN 688 -9.927 -0.258 -7.900 352 HB2 ASN 688 HB2 ASN 688 -12.042 -1.534 -7.210 353 HB3 ASN 688 HB1 ASN 688 -11.969 -0.624 -5.710 354 HD21 ASN 688 HD21 ASN 688 -12.557 -0.476 -9.119 355 HD22 ASN 688 HD22 ASN 688 -13.262 1.103 -9.131 356 H MET 689 HN MET 689 -10.252 2.000 -7.178 357 HA MET 689 HA MET 689 -9.532 2.623 -4.451 358 HB2 MET 689 HB2 MET 689 -7.648 4.078 -5.040 359 HB3 MET 689 HB1 MET 689 -7.317 2.404 -5.458 360 HG2 MET 689 HG2 MET 689 -7.806 2.876 -7.792 361 HG3 MET 689 HG1 MET 689 -8.185 4.549 -7.383 362 HE1 MET 689 HE1 MET 689 -6.425 5.207 -9.352 363 HE2 MET 689 HE2 MET 689 -6.028 3.508 -9.599 364 HE3 MET 689 HE3 MET 689 -4.741 4.686 -9.348 365 H GLU 690 HN GLU 690 -9.897 4.818 -3.908 366 HA GLU 690 HA GLU 690 -11.565 6.264 -5.872 367 HB2 GLU 690 HB2 GLU 690 -12.067 6.045 -2.900 368 HB3 GLU 690 HB1 GLU 690 -13.027 6.974 -4.040 369 HG2 GLU 690 HG2 GLU 690 -13.613 4.870 -5.193 370 HG3 GLU 690 HG1 GLU 690 -12.733 3.986 -3.945 371 H GLY 691 HN GLY 691 -10.835 8.243 -6.275 372 HA2 GLY 691 HA2 GLY 691 -10.209 10.414 -5.806 373 HA3 GLY 691 HA1 GLY 691 -10.136 9.988 -4.106 374 H SER 692 HN SER 692 -8.292 11.645 -4.799 375 HA SER 692 HA SER 692 -5.854 10.042 -4.789 376 HB2 SER 692 HB2 SER 692 -4.822 11.822 -6.323 377 HB3 SER 692 HB1 SER 692 -5.905 10.652 -7.075 378 HG SER 692 HG SER 692 -6.707 13.229 -6.178 379 H GLY 693 HN GLY 693 -4.053 11.124 -3.798 380 HA2 GLY 693 HA2 GLY 693 -3.052 12.790 -2.487 381 HA3 GLY 693 HA1 GLY 693 -4.568 13.681 -2.499 382 H GLU 694 HN GLU 694 -5.018 13.979 -0.397 383 HA GLU 694 HA GLU 694 -4.551 11.915 1.554 384 HB2 GLU 694 HB2 GLU 694 -4.335 14.374 2.021 385 HB3 GLU 694 HB1 GLU 694 -6.083 14.496 1.887 386 HG2 GLU 694 HG2 GLU 694 -6.335 12.954 3.761 387 HG3 GLU 694 HG1 GLU 694 -4.581 12.839 3.898 388 H HIS 695 HN HIS 695 -7.216 13.141 -0.310 389 HA HIS 695 HA HIS 695 -9.206 11.666 1.206 390 HB2 HIS 695 HB2 HIS 695 -9.398 13.447 -1.226 391 HB3 HIS 695 HB1 HIS 695 -10.778 12.588 -0.551 392 HD1 HIS 695 HD1 HIS 695 -12.104 13.908 1.042 393 HD2 HIS 695 HD2 HIS 695 -8.159 15.202 0.880 394 HE1 HIS 695 HE1 HIS 695 -11.983 15.898 2.569 395 HE2 HIS 695 HE2 HIS 695 -9.543 16.534 2.606 396 H SER 696 HN SER 696 -7.216 10.057 0.041 397 HA SER 696 HA SER 696 -8.674 8.741 -2.143 398 HB2 SER 696 HB2 SER 696 -6.479 7.667 -2.680 399 HB3 SER 696 HB1 SER 696 -6.464 9.422 -2.839 400 HG SER 696 HG SER 696 -5.190 9.599 -1.115 401 H ARG 697 HN ARG 697 -9.407 6.723 -1.887 402 HA ARG 697 HA ARG 697 -8.485 5.204 0.465 403 HB2 ARG 697 HB2 ARG 697 -11.288 5.177 -0.665 404 HB3 ARG 697 HB1 ARG 697 -10.719 4.292 0.743 405 HG2 ARG 697 HG2 ARG 697 -10.283 6.463 1.863 406 HG3 ARG 697 HG1 ARG 697 -11.010 7.275 0.476 407 HD2 ARG 697 HD2 ARG 697 -12.331 5.360 2.387 408 HD3 ARG 697 HD1 ARG 697 -12.683 7.073 2.165 409 HE ARG 697 HE ARG 697 -13.092 5.238 -0.084 410 HH11 ARG 697 HH11 ARG 697 -14.446 7.324 2.381 411 HH12 ARG 697 HH12 ARG 697 -16.017 7.366 1.655 412 HH21 ARG 697 HH21 ARG 697 -15.164 5.280 -1.038 413 HH22 ARG 697 HH22 ARG 697 -16.433 6.198 -0.271 414 H LEU 698 HN LEU 698 -8.090 3.052 0.131 415 HA LEU 698 HA LEU 698 -8.254 2.155 -2.668 416 HB2 LEU 698 HB2 LEU 698 -6.586 0.908 -0.497 417 HB3 LEU 698 HB1 LEU 698 -6.447 0.704 -2.232 418 HG LEU 698 HG LEU 698 -5.855 3.297 -0.822 419 HD11 LEU 698 HD11 LEU 698 -4.331 1.577 -0.030 420 HD12 LEU 698 HD12 LEU 698 -3.494 2.704 -1.098 421 HD13 LEU 698 HD13 LEU 698 -3.969 1.114 -1.694 422 HD21 LEU 698 HD21 LEU 698 -5.199 2.298 -3.592 423 HD22 LEU 698 HD22 LEU 698 -4.708 3.848 -2.909 424 HD23 LEU 698 HD23 LEU 698 -6.416 3.509 -3.190 425 H GLN 699 HN GLN 699 -9.394 0.366 -3.169 426 HA GLN 699 HA GLN 699 -10.765 -1.008 -0.965 427 HB2 GLN 699 HB2 GLN 699 -12.067 0.016 -2.891 428 HB3 GLN 699 HB1 GLN 699 -11.333 -1.197 -3.930 429 HG2 GLN 699 HG2 GLN 699 -12.375 -2.962 -2.689 430 HG3 GLN 699 HG1 GLN 699 -13.010 -1.810 -1.515 431 HE21 GLN 699 HE21 GLN 699 -15.117 -2.444 -1.895 432 HE22 GLN 699 HE22 GLN 699 -15.968 -2.014 -3.339 433 H VAL 700 HN VAL 700 -9.506 -2.589 -0.252 434 HA VAL 700 HA VAL 700 -7.787 -4.021 -2.155 435 HB VAL 700 HB VAL 700 -7.573 -3.921 0.855 436 HG11 VAL 700 HG11 VAL 700 -6.568 -5.903 -0.128 437 HG12 VAL 700 HG12 VAL 700 -5.325 -4.814 0.489 438 HG13 VAL 700 HG13 VAL 700 -5.643 -4.898 -1.245 439 HG21 VAL 700 HG21 VAL 700 -5.744 -2.351 0.550 440 HG22 VAL 700 HG22 VAL 700 -7.232 -1.702 -0.143 441 HG23 VAL 700 HG23 VAL 700 -5.990 -2.378 -1.197 442 H ALA 701 HN ALA 701 -8.274 -6.030 -2.689 443 HA ALA 701 HA ALA 701 -10.212 -7.544 -1.138 444 HB1 ALA 701 HB1 ALA 701 -10.149 -9.132 -2.974 445 HB2 ALA 701 HB2 ALA 701 -8.787 -8.274 -3.695 446 HB3 ALA 701 HB3 ALA 701 -10.366 -7.495 -3.593 447 H PHE 702 HN PHE 702 -9.258 -8.241 0.710 448 HA PHE 702 HA PHE 702 -6.552 -9.155 0.791 449 HB2 PHE 702 HB2 PHE 702 -8.781 -9.083 2.808 450 HB3 PHE 702 HB1 PHE 702 -7.258 -9.887 3.164 451 HD1 PHE 702 HD1 PHE 702 -8.878 -6.670 2.496 452 HD2 PHE 702 HD2 PHE 702 -5.246 -8.631 3.521 453 HE1 PHE 702 HE1 PHE 702 -7.894 -4.509 3.131 454 HE2 PHE 702 HE2 PHE 702 -4.253 -6.472 4.157 455 HZ PHE 702 HZ PHE 702 -5.579 -4.406 3.963 456 H GLN 703 HN GLN 703 -5.823 -11.255 1.348 457 HA GLN 703 HA GLN 703 -6.609 -13.106 -0.514 458 HB2 GLN 703 HB2 GLN 703 -4.440 -13.172 0.561 459 HB3 GLN 703 HB1 GLN 703 -5.180 -13.597 2.096 460 HG2 GLN 703 HG2 GLN 703 -4.197 -15.547 1.099 461 HG3 GLN 703 HG1 GLN 703 -5.950 -15.714 1.123 462 HE21 GLN 703 HE21 GLN 703 -7.093 -15.638 -0.813 463 HE22 GLN 703 HE22 GLN 703 -6.311 -15.829 -2.347 464 H GLY 704 HN GLY 704 -7.503 -13.176 2.959 465 HA2 GLY 704 HA2 GLY 704 -9.661 -15.025 2.173 466 HA3 GLY 704 HA1 GLY 704 -8.627 -15.397 3.539 467 H GLN 705 HN GLN 705 -9.479 -12.065 3.100 468 HA GLN 705 HA GLN 705 -11.527 -12.393 5.189 469 HB2 GLN 705 HB2 GLN 705 -9.366 -10.295 5.068 470 HB3 GLN 705 HB1 GLN 705 -10.772 -10.173 6.114 471 HG2 GLN 705 HG2 GLN 705 -9.232 -11.055 7.548 472 HG3 GLN 705 HG1 GLN 705 -10.010 -12.516 6.951 473 HE21 GLN 705 HE21 GLN 705 -7.696 -10.552 5.186 474 HE22 GLN 705 HE22 GLN 705 -6.443 -11.742 5.140 475 H GLY 706 HN GLY 706 -11.334 -11.735 2.118 476 HA2 GLY 706 HA2 GLY 706 -12.949 -10.777 0.757 477 HA3 GLY 706 HA1 GLY 706 -13.687 -10.069 2.185 478 H ILE 707 HN ILE 707 -13.929 -8.224 0.693 479 HA ILE 707 HA ILE 707 -11.457 -6.768 0.134 480 HB ILE 707 HB ILE 707 -14.259 -6.098 -0.767 481 HG12 ILE 707 HG12 ILE 707 -12.112 -7.678 -2.205 482 HG13 ILE 707 HG11 ILE 707 -13.623 -8.329 -1.579 483 HG21 ILE 707 HG21 ILE 707 -12.711 -4.239 -0.869 484 HG22 ILE 707 HG22 ILE 707 -13.086 -4.807 -2.497 485 HG23 ILE 707 HG23 ILE 707 -11.546 -5.230 -1.749 486 HD11 ILE 707 HD11 ILE 707 -13.353 -6.290 -3.776 487 HD12 ILE 707 HD12 ILE 707 -14.869 -6.938 -3.150 488 HD13 ILE 707 HD13 ILE 707 -13.732 -8.000 -3.978 489 H LYS 708 HN LYS 708 -10.880 -4.981 1.205 490 HA LYS 708 HA LYS 708 -12.830 -3.768 3.059 491 HB2 LYS 708 HB2 LYS 708 -9.897 -4.301 3.379 492 HB3 LYS 708 HB1 LYS 708 -10.661 -2.985 4.255 493 HG2 LYS 708 HG2 LYS 708 -10.594 -4.822 5.724 494 HG3 LYS 708 HG1 LYS 708 -12.266 -4.684 5.185 495 HD2 LYS 708 HD2 LYS 708 -12.004 -6.521 3.679 496 HD3 LYS 708 HD1 LYS 708 -10.261 -6.566 3.957 497 HE2 LYS 708 HE2 LYS 708 -11.424 -8.344 5.176 498 HE3 LYS 708 HE1 LYS 708 -10.619 -7.218 6.264 499 HZ1 LYS 708 HZ1 LYS 708 -12.756 -6.127 6.630 500 HZ2 LYS 708 HZ2 LYS 708 -12.815 -7.756 7.068 501 HZ3 LYS 708 HZ3 LYS 708 -13.516 -7.245 5.619 502 H TRP 709 HN TRP 709 -12.241 -1.498 3.649 503 HA TRP 709 HA TRP 709 -11.225 -0.021 1.318 504 HB2 TRP 709 HB2 TRP 709 -12.633 1.865 2.117 505 HB3 TRP 709 HB1 TRP 709 -13.585 0.436 1.727 506 HD1 TRP 709 HD1 TRP 709 -14.335 -1.087 3.961 507 HE1 TRP 709 HE1 TRP 709 -15.049 -0.268 6.286 508 HE3 TRP 709 HE3 TRP 709 -12.400 3.638 3.779 509 HZ2 TRP 709 HZ2 TRP 709 -14.836 2.083 7.840 510 HZ3 TRP 709 HZ3 TRP 709 -12.701 5.111 5.725 511 HH2 TRP 709 HH2 TRP 709 -13.894 4.349 7.713 512 H LEU 710 HN LEU 710 -9.324 0.930 1.619 513 HA LEU 710 HA LEU 710 -8.500 1.592 4.376 514 HB2 LEU 710 HB2 LEU 710 -6.830 0.549 2.085 515 HB3 LEU 710 HB1 LEU 710 -6.148 1.203 3.558 516 HG LEU 710 HG LEU 710 -6.049 -1.156 3.733 517 HD11 LEU 710 HD11 LEU 710 -8.427 -0.243 5.342 518 HD12 LEU 710 HD12 LEU 710 -6.735 0.013 5.771 519 HD13 LEU 710 HD13 LEU 710 -7.385 -1.623 5.694 520 HD21 LEU 710 HD21 LEU 710 -8.972 -1.213 3.010 521 HD22 LEU 710 HD22 LEU 710 -8.031 -2.601 3.548 522 HD23 LEU 710 HD23 LEU 710 -7.625 -1.798 2.032 523 H VAL 711 HN VAL 711 -8.396 3.742 4.637 524 HA VAL 711 HA VAL 711 -8.259 5.588 2.487 525 HB VAL 711 HB VAL 711 -7.542 6.116 5.378 526 HG11 VAL 711 HG11 VAL 711 -8.452 7.964 3.176 527 HG12 VAL 711 HG12 VAL 711 -6.832 7.881 3.867 528 HG13 VAL 711 HG13 VAL 711 -8.186 8.427 4.857 529 HG21 VAL 711 HG21 VAL 711 -9.873 6.830 5.658 530 HG22 VAL 711 HG22 VAL 711 -9.760 5.120 5.241 531 HG23 VAL 711 HG23 VAL 711 -10.228 6.298 4.016 532 H ALA 712 HN ALA 712 -6.552 5.850 1.220 533 HA ALA 712 HA ALA 712 -4.143 4.507 1.618 534 HB1 ALA 712 HB1 ALA 712 -5.048 5.119 -0.581 535 HB2 ALA 712 HB2 ALA 712 -3.365 5.604 -0.389 536 HB3 ALA 712 HB3 ALA 712 -4.649 6.805 -0.262 537 H ALA 713 HN ALA 713 -5.009 7.823 2.337 538 HA ALA 713 HA ALA 713 -2.394 8.829 2.661 539 HB1 ALA 713 HB1 ALA 713 -3.420 10.720 3.715 540 HB2 ALA 713 HB2 ALA 713 -4.894 9.805 4.025 541 HB3 ALA 713 HB3 ALA 713 -4.437 10.204 2.370 542 H TYR 714 HN TYR 714 -4.390 6.878 4.706 543 HA TYR 714 HA TYR 714 -2.492 7.277 6.923 544 HB2 TYR 714 HB2 TYR 714 -5.441 6.653 7.136 545 HB3 TYR 714 HB1 TYR 714 -4.328 6.847 8.486 546 HD1 TYR 714 HD1 TYR 714 -6.402 8.539 6.048 547 HD2 TYR 714 HD2 TYR 714 -3.365 9.095 8.971 548 HE1 TYR 714 HE1 TYR 714 -6.887 10.948 6.083 549 HE2 TYR 714 HE2 TYR 714 -3.845 11.505 9.021 550 HH TYR 714 HH TYR 714 -4.843 13.215 7.442 551 H ALA 715 HN ALA 715 -3.072 5.229 4.604 552 HA ALA 715 HA ALA 715 -3.497 2.798 6.130 553 HB1 ALA 715 HB1 ALA 715 -3.627 1.690 3.982 554 HB2 ALA 715 HB2 ALA 715 -3.071 3.153 3.168 555 HB3 ALA 715 HB3 ALA 715 -4.639 3.136 3.978 556 H ARG 716 HN ARG 716 -1.060 3.935 3.793 557 HA ARG 716 HA ARG 716 1.106 3.387 3.442 558 HB2 ARG 716 HB2 ARG 716 1.192 4.458 5.742 559 HB3 ARG 716 HB1 ARG 716 1.251 2.832 6.403 560 HG2 ARG 716 HG2 ARG 716 3.474 3.773 6.266 561 HG3 ARG 716 HG1 ARG 716 3.321 2.406 5.161 562 HD2 ARG 716 HD2 ARG 716 2.966 3.953 3.301 563 HD3 ARG 716 HD1 ARG 716 3.104 5.319 4.405 564 HE ARG 716 HE ARG 716 5.441 4.030 4.773 565 HH11 ARG 716 HH11 ARG 716 3.744 5.076 1.898 566 HH12 ARG 716 HH12 ARG 716 5.194 5.340 0.980 567 HH21 ARG 716 HH21 ARG 716 7.365 4.383 3.551 568 HH22 ARG 716 HH22 ARG 716 7.241 4.960 1.918 569 H LEU 717 HN LEU 717 0.230 1.497 2.316 570 HA LEU 717 HA LEU 717 0.488 -1.054 3.701 571 HB2 LEU 717 HB2 LEU 717 -0.697 -0.139 1.135 572 HB3 LEU 717 HB1 LEU 717 -0.124 -1.790 1.214 573 HG LEU 717 HG LEU 717 -2.516 -1.668 1.663 574 HD11 LEU 717 HD11 LEU 717 -1.190 -3.413 2.774 575 HD12 LEU 717 HD12 LEU 717 -2.585 -2.921 3.732 576 HD13 LEU 717 HD13 LEU 717 -0.974 -2.347 4.162 577 HD21 LEU 717 HD21 LEU 717 -1.759 0.053 4.010 578 HD22 LEU 717 HD22 LEU 717 -3.369 -0.585 3.672 579 HD23 LEU 717 HD23 LEU 717 -2.630 0.576 2.568 580 H GLU 718 HN GLU 718 1.983 -2.581 3.260 581 HA GLU 718 HA GLU 718 4.363 -1.788 1.823 582 HB2 GLU 718 HB2 GLU 718 4.468 -3.037 3.977 583 HB3 GLU 718 HB1 GLU 718 3.695 -4.407 3.190 584 HG2 GLU 718 HG2 GLU 718 6.080 -4.757 3.355 585 HG3 GLU 718 HG1 GLU 718 5.598 -4.599 1.664 586 H SER 719 HN SER 719 5.200 -2.916 0.003 587 HA SER 719 HA SER 719 3.075 -3.998 -1.686 588 HB2 SER 719 HB2 SER 719 5.926 -3.265 -2.407 589 HB3 SER 719 HB1 SER 719 4.618 -3.629 -3.534 590 HG SER 719 HG SER 719 4.003 -1.661 -1.730 591 H VAL 720 HN VAL 720 2.820 -6.121 -1.928 592 HA VAL 720 HA VAL 720 5.173 -7.848 -1.586 593 HB VAL 720 HB VAL 720 3.626 -8.157 0.277 594 HG11 VAL 720 HG11 VAL 720 1.589 -8.933 -1.799 595 HG12 VAL 720 HG12 VAL 720 1.543 -7.499 -0.772 596 HG13 VAL 720 HG13 VAL 720 1.395 -9.104 -0.054 597 HG21 VAL 720 HG21 VAL 720 3.325 -10.590 0.097 598 HG22 VAL 720 HG22 VAL 720 4.914 -10.069 -0.459 599 HG23 VAL 720 HG23 VAL 720 3.665 -10.490 -1.630 Start of MODEL 4 1 H1 ARG 645 HT1 ARG 645 23.977 -1.482 -8.990 2 H2 ARG 645 HT2 ARG 645 25.528 -1.102 -8.442 3 H3 ARG 645 HT3 ARG 645 24.788 -0.136 -9.616 4 HA ARG 645 HA ARG 645 23.108 0.549 -8.057 5 HB2 ARG 645 HB2 ARG 645 23.160 -1.539 -6.706 6 HB3 ARG 645 HB1 ARG 645 24.715 -1.047 -6.047 7 HG2 ARG 645 HG2 ARG 645 23.682 0.906 -5.024 8 HG3 ARG 645 HG1 ARG 645 22.123 0.453 -5.716 9 HD2 ARG 645 HD2 ARG 645 23.720 -1.180 -3.744 10 HD3 ARG 645 HD1 ARG 645 22.305 -0.203 -3.360 11 HE ARG 645 HE ARG 645 21.719 -2.091 -5.403 12 HH11 ARG 645 HH11 ARG 645 22.209 -1.841 -1.940 13 HH12 ARG 645 HH12 ARG 645 21.200 -3.207 -1.579 14 HH21 ARG 645 HH21 ARG 645 20.402 -3.888 -4.920 15 HH22 ARG 645 HH22 ARG 645 20.180 -4.370 -3.268 16 H LEU 646 HN LEU 646 23.835 2.555 -8.419 17 HA LEU 646 HA LEU 646 26.509 3.351 -7.649 18 HB2 LEU 646 HB2 LEU 646 24.218 4.886 -8.869 19 HB3 LEU 646 HB1 LEU 646 25.800 5.568 -8.552 20 HG LEU 646 HG LEU 646 25.267 3.262 -10.424 21 HD11 LEU 646 HD11 LEU 646 25.718 4.875 -12.204 22 HD12 LEU 646 HD12 LEU 646 25.827 6.164 -11.004 23 HD13 LEU 646 HD13 LEU 646 24.297 5.327 -11.262 24 HD21 LEU 646 HD21 LEU 646 27.502 3.202 -9.461 25 HD22 LEU 646 HD22 LEU 646 27.755 4.888 -9.910 26 HD23 LEU 646 HD23 LEU 646 27.571 3.661 -11.163 27 H ARG 647 HN ARG 647 23.364 3.412 -6.291 28 HA ARG 647 HA ARG 647 24.388 4.883 -3.992 29 HB2 ARG 647 HB2 ARG 647 22.330 6.282 -3.901 30 HB3 ARG 647 HB1 ARG 647 23.370 6.645 -5.270 31 HG2 ARG 647 HG2 ARG 647 21.908 5.371 -6.738 32 HG3 ARG 647 HG1 ARG 647 20.878 4.958 -5.367 33 HD2 ARG 647 HD2 ARG 647 19.935 6.798 -6.666 34 HD3 ARG 647 HD1 ARG 647 20.359 7.317 -5.035 35 HE ARG 647 HE ARG 647 22.551 7.892 -6.611 36 HH11 ARG 647 HH11 ARG 647 19.176 8.796 -6.514 37 HH12 ARG 647 HH12 ARG 647 19.449 10.380 -7.166 38 HH21 ARG 647 HH21 ARG 647 22.923 9.988 -7.462 39 HH22 ARG 647 HH22 ARG 647 21.577 11.061 -7.699 40 H ALA 648 HN ALA 648 23.623 4.151 -2.092 41 HA ALA 648 HA ALA 648 21.356 2.274 -2.176 42 HB1 ALA 648 HB1 ALA 648 22.315 1.135 -0.252 43 HB2 ALA 648 HB2 ALA 648 23.664 2.270 -0.229 44 HB3 ALA 648 HB3 ALA 648 23.466 1.161 -1.587 45 H THR 649 HN THR 649 23.103 4.185 0.274 46 HA THR 649 HA THR 649 21.138 6.098 0.702 47 HB THR 649 HB THR 649 19.753 4.198 1.511 48 HG1 THR 649 HG1 THR 649 19.085 5.966 2.522 49 HG21 THR 649 HG21 THR 649 21.517 2.777 2.424 50 HG22 THR 649 HG22 THR 649 20.305 3.134 3.655 51 HG23 THR 649 HG23 THR 649 21.852 3.979 3.670 52 H VAL 650 HN VAL 650 21.690 7.541 2.363 53 HA VAL 650 HA VAL 650 24.096 6.896 3.929 54 HB VAL 650 HB VAL 650 24.567 8.433 1.975 55 HG11 VAL 650 HG11 VAL 650 23.916 10.796 2.223 56 HG12 VAL 650 HG12 VAL 650 22.868 10.336 3.564 57 HG13 VAL 650 HG13 VAL 650 22.547 9.722 1.943 58 HG21 VAL 650 HG21 VAL 650 25.959 9.977 3.274 59 HG22 VAL 650 HG22 VAL 650 26.062 8.325 3.883 60 HG23 VAL 650 HG23 VAL 650 25.084 9.521 4.735 61 H SER 651 HN SER 651 20.943 7.429 4.002 62 HA SER 651 HA SER 651 20.673 9.574 5.839 63 HB2 SER 651 HB2 SER 651 18.300 8.822 5.983 64 HB3 SER 651 HB1 SER 651 18.853 9.048 4.325 65 HG SER 651 HG SER 651 19.250 6.724 4.311 66 H ARG 652 HN ARG 652 20.325 9.560 8.008 67 HA ARG 652 HA ARG 652 20.524 6.967 9.385 68 HB2 ARG 652 HB2 ARG 652 22.560 8.310 9.696 69 HB3 ARG 652 HB1 ARG 652 21.594 9.654 10.285 70 HG2 ARG 652 HG2 ARG 652 21.028 8.505 12.269 71 HG3 ARG 652 HG1 ARG 652 21.641 6.974 11.639 72 HD2 ARG 652 HD2 ARG 652 23.314 9.416 12.216 73 HD3 ARG 652 HD1 ARG 652 23.177 8.004 13.264 74 HE ARG 652 HE ARG 652 23.957 7.125 10.729 75 HH11 ARG 652 HH11 ARG 652 25.248 9.046 13.349 76 HH12 ARG 652 HH12 ARG 652 26.899 8.636 13.006 77 HH21 ARG 652 HH21 ARG 652 26.120 6.577 10.274 78 HH22 ARG 652 HH22 ARG 652 27.394 7.226 11.258 79 HA PRO 653 HA PRO 653 16.488 8.146 10.743 80 HB2 PRO 653 HB2 PRO 653 16.040 6.159 12.518 81 HB3 PRO 653 HB1 PRO 653 16.036 5.893 10.771 82 HG2 PRO 653 HG2 PRO 653 18.202 5.355 12.762 83 HG3 PRO 653 HG1 PRO 653 17.653 4.352 11.408 84 HD2 PRO 653 HD2 PRO 653 19.873 5.923 11.291 85 HD3 PRO 653 HD1 PRO 653 18.885 5.535 9.870 86 H VAL 654 HN VAL 654 18.362 9.754 11.843 87 HA VAL 654 HA VAL 654 18.013 9.781 14.719 88 HB VAL 654 HB VAL 654 20.116 10.523 13.583 89 HG11 VAL 654 HG11 VAL 654 18.464 12.907 12.775 90 HG12 VAL 654 HG12 VAL 654 19.170 11.706 11.694 91 HG13 VAL 654 HG13 VAL 654 20.216 12.776 12.628 92 HG21 VAL 654 HG21 VAL 654 20.494 12.455 15.047 93 HG22 VAL 654 HG22 VAL 654 19.654 11.150 15.883 94 HG23 VAL 654 HG23 VAL 654 18.759 12.565 15.334 95 H SER 655 HN SER 655 16.679 11.203 11.865 96 HA SER 655 HA SER 655 14.819 12.823 13.434 97 HB2 SER 655 HB2 SER 655 15.243 12.687 10.434 98 HB3 SER 655 HB1 SER 655 14.191 13.823 11.278 99 HG SER 655 HG SER 655 16.227 14.413 12.447 100 H HIS 656 HN HIS 656 14.162 10.518 14.128 101 HA HIS 656 HA HIS 656 12.704 8.955 12.212 102 HB2 HIS 656 HB2 HIS 656 13.943 7.905 14.063 103 HB3 HIS 656 HB1 HIS 656 12.902 8.714 15.223 104 HD1 HIS 656 HD1 HIS 656 13.194 5.666 13.216 105 HD2 HIS 656 HD2 HIS 656 10.171 7.725 15.194 106 HE1 HIS 656 HE1 HIS 656 11.303 4.033 13.455 107 HE2 HIS 656 HE2 HIS 656 9.432 5.351 14.497 108 H GLN 657 HN GLN 657 10.972 9.999 11.434 109 HA GLN 657 HA GLN 657 8.806 10.530 13.356 110 HB2 GLN 657 HB2 GLN 657 9.704 12.661 12.456 111 HB3 GLN 657 HB1 GLN 657 9.377 12.093 10.824 112 HG2 GLN 657 HG2 GLN 657 7.668 13.643 11.608 113 HG3 GLN 657 HG1 GLN 657 6.999 12.040 11.293 114 HE21 GLN 657 HE21 GLN 657 7.866 14.357 13.734 115 HE22 GLN 657 HE22 GLN 657 6.996 13.615 15.030 116 H ARG 658 HN ARG 658 9.570 9.995 9.939 117 HA ARG 658 HA ARG 658 7.260 8.194 9.764 118 HB2 ARG 658 HB2 ARG 658 8.873 9.533 7.583 119 HB3 ARG 658 HB1 ARG 658 7.585 8.371 7.292 120 HG2 ARG 658 HG2 ARG 658 6.008 9.886 8.437 121 HG3 ARG 658 HG1 ARG 658 7.307 11.066 8.605 122 HD2 ARG 658 HD2 ARG 658 6.255 9.973 5.998 123 HD3 ARG 658 HD1 ARG 658 5.842 11.540 6.690 124 HE ARG 658 HE ARG 658 8.670 11.076 6.277 125 HH11 ARG 658 HH11 ARG 658 5.693 12.387 4.993 126 HH12 ARG 658 HH12 ARG 658 6.486 13.398 3.828 127 HH21 ARG 658 HH21 ARG 658 9.728 12.412 4.767 128 HH22 ARG 658 HH22 ARG 658 8.794 13.424 3.711 129 H MET 659 HN MET 659 9.270 7.273 11.205 130 HA MET 659 HA MET 659 10.533 5.445 11.555 131 HB2 MET 659 HB2 MET 659 9.710 4.782 8.742 132 HB3 MET 659 HB1 MET 659 10.855 3.783 9.622 133 HG2 MET 659 HG2 MET 659 8.683 2.817 9.824 134 HG3 MET 659 HG1 MET 659 9.154 3.466 11.392 135 HE1 MET 659 HE1 MET 659 5.273 3.973 11.375 136 HE2 MET 659 HE2 MET 659 6.649 3.317 12.261 137 HE3 MET 659 HE3 MET 659 6.187 2.620 10.710 138 H GLY 660 HN GLY 660 11.240 7.010 8.461 139 HA2 GLY 660 HA2 GLY 660 13.291 8.109 8.001 140 HA3 GLY 660 HA1 GLY 660 14.053 7.167 9.280 141 H THR 661 HN THR 661 11.943 5.763 6.927 142 HA THR 661 HA THR 661 13.872 3.804 6.227 143 HB THR 661 HB THR 661 11.581 3.128 6.283 144 HG1 THR 661 HG1 THR 661 11.419 2.792 3.719 145 HG21 THR 661 HG21 THR 661 9.878 4.043 4.770 146 HG22 THR 661 HG22 THR 661 11.048 5.218 4.167 147 HG23 THR 661 HG23 THR 661 10.519 5.282 5.850 148 HA PRO 662 HA PRO 662 15.669 5.921 2.731 149 HB2 PRO 662 HB2 PRO 662 17.059 3.834 1.723 150 HB3 PRO 662 HB1 PRO 662 17.566 4.686 3.186 151 HG2 PRO 662 HG2 PRO 662 16.112 2.086 2.913 152 HG3 PRO 662 HG1 PRO 662 17.426 2.524 4.020 153 HD2 PRO 662 HD2 PRO 662 14.795 2.465 4.751 154 HD3 PRO 662 HD1 PRO 662 15.999 3.524 5.512 155 H MET 663 HN MET 663 13.521 3.280 2.693 156 HA MET 663 HA MET 663 13.016 3.633 -0.187 157 HB2 MET 663 HB2 MET 663 13.740 1.361 0.290 158 HB3 MET 663 HB1 MET 663 12.544 1.215 1.570 159 HG2 MET 663 HG2 MET 663 11.831 0.029 -0.413 160 HG3 MET 663 HG1 MET 663 10.753 1.381 -0.074 161 HE1 MET 663 HE1 MET 663 9.735 1.186 -2.514 162 HE2 MET 663 HE2 MET 663 10.810 -0.171 -2.848 163 HE3 MET 663 HE3 MET 663 10.711 1.174 -3.983 164 H VAL 664 HN VAL 664 11.288 4.844 -0.506 165 HA VAL 664 HA VAL 664 9.353 5.386 1.511 166 HB VAL 664 HB VAL 664 9.205 5.959 -1.458 167 HG11 VAL 664 HG11 VAL 664 7.771 7.259 0.855 168 HG12 VAL 664 HG12 VAL 664 7.048 6.155 -0.314 169 HG13 VAL 664 HG13 VAL 664 7.649 7.728 -0.840 170 HG21 VAL 664 HG21 VAL 664 10.063 8.190 -0.859 171 HG22 VAL 664 HG22 VAL 664 11.226 6.908 -0.521 172 HG23 VAL 664 HG23 VAL 664 10.305 7.634 0.796 173 H GLU 665 HN GLU 665 7.547 4.327 1.988 174 HA GLU 665 HA GLU 665 6.966 1.821 0.783 175 HB2 GLU 665 HB2 GLU 665 5.265 3.438 2.696 176 HB3 GLU 665 HB1 GLU 665 5.089 1.724 2.346 177 HG2 GLU 665 HG2 GLU 665 7.333 1.330 3.281 178 HG3 GLU 665 HG1 GLU 665 7.437 3.040 3.691 179 H ASN 666 HN ASN 666 5.670 5.045 0.480 180 HA ASN 666 HA ASN 666 3.757 4.119 -1.546 181 HB2 ASN 666 HB2 ASN 666 4.092 6.882 -0.346 182 HB3 ASN 666 HB1 ASN 666 2.810 6.378 -1.442 183 HD21 ASN 666 HD21 ASN 666 4.027 6.264 1.793 184 HD22 ASN 666 HD22 ASN 666 2.622 5.566 2.520 185 H ASP 667 HN ASP 667 6.123 3.672 -2.463 186 HA ASP 667 HA ASP 667 7.736 5.773 -3.355 187 HB2 ASP 667 HB2 ASP 667 8.561 3.492 -3.138 188 HB3 ASP 667 HB1 ASP 667 7.490 2.957 -4.427 189 H SER 668 HN SER 668 5.481 3.772 -5.288 190 HA SER 668 HA SER 668 5.638 5.880 -7.343 191 HB2 SER 668 HB2 SER 668 6.729 3.669 -7.902 192 HB3 SER 668 HB1 SER 668 5.120 2.950 -7.858 193 HG SER 668 HG SER 668 6.028 3.745 -9.965 194 H GLY 669 HN GLY 669 3.594 4.299 -5.191 195 HA2 GLY 669 HA2 GLY 669 1.350 5.120 -4.917 196 HA3 GLY 669 HA1 GLY 669 1.260 5.320 -6.662 197 H TYR 670 HN TYR 670 -0.675 3.984 -5.199 198 HA TYR 670 HA TYR 670 -0.165 1.134 -5.529 199 HB2 TYR 670 HB2 TYR 670 -2.520 2.599 -4.327 200 HB3 TYR 670 HB1 TYR 670 -2.308 0.850 -4.332 201 HD1 TYR 670 HD1 TYR 670 -1.469 3.955 -2.708 202 HD2 TYR 670 HD2 TYR 670 -0.358 -0.136 -3.073 203 HE1 TYR 670 HE1 TYR 670 -0.165 4.130 -0.636 204 HE2 TYR 670 HE2 TYR 670 0.951 0.031 -1.000 205 HH TYR 670 HH TYR 670 1.041 3.053 0.870 206 H LYS 671 HN LYS 671 -1.323 -0.196 -6.870 207 HA LYS 671 HA LYS 671 -2.927 1.169 -8.936 208 HB2 LYS 671 HB2 LYS 671 -0.958 -1.080 -9.403 209 HB3 LYS 671 HB1 LYS 671 -1.861 -0.200 -10.629 210 HG2 LYS 671 HG2 LYS 671 -0.635 1.830 -10.106 211 HG3 LYS 671 HG1 LYS 671 0.241 0.988 -8.829 212 HD2 LYS 671 HD2 LYS 671 1.668 1.069 -10.732 213 HD3 LYS 671 HD1 LYS 671 1.093 -0.591 -10.580 214 HE2 LYS 671 HE2 LYS 671 1.015 0.062 -12.893 215 HE3 LYS 671 HE1 LYS 671 -0.631 -0.102 -12.287 216 HZ1 LYS 671 HZ1 LYS 671 -0.387 1.880 -13.633 217 HZ2 LYS 671 HZ2 LYS 671 0.840 2.454 -12.624 218 HZ3 LYS 671 HZ3 LYS 671 -0.737 2.302 -12.033 219 H LEU 672 HN LEU 672 -4.356 -0.307 -10.144 220 HA LEU 672 HA LEU 672 -5.648 -2.173 -8.377 221 HB2 LEU 672 HB2 LEU 672 -6.245 -0.933 -10.990 222 HB3 LEU 672 HB1 LEU 672 -6.925 -2.527 -10.727 223 HG LEU 672 HG LEU 672 -8.082 -1.746 -8.739 224 HD11 LEU 672 HD11 LEU 672 -6.484 -0.100 -7.965 225 HD12 LEU 672 HD12 LEU 672 -8.088 0.617 -8.127 226 HD13 LEU 672 HD13 LEU 672 -6.853 0.933 -9.346 227 HD21 LEU 672 HD21 LEU 672 -9.665 -0.226 -9.812 228 HD22 LEU 672 HD22 LEU 672 -9.202 -1.543 -10.888 229 HD23 LEU 672 HD23 LEU 672 -8.509 0.063 -11.110 230 H GLY 673 HN GLY 673 -5.836 -4.355 -8.620 231 HA2 GLY 673 HA2 GLY 673 -5.335 -6.481 -9.451 232 HA3 GLY 673 HA1 GLY 673 -4.416 -5.733 -10.751 233 H GLN 674 HN GLN 674 -3.516 -4.304 -7.939 234 HA GLN 674 HA GLN 674 -0.990 -5.721 -7.897 235 HB2 GLN 674 HB2 GLN 674 -1.093 -3.245 -7.841 236 HB3 GLN 674 HB1 GLN 674 -1.947 -3.342 -6.312 237 HG2 GLN 674 HG2 GLN 674 -0.033 -4.257 -5.218 238 HG3 GLN 674 HG1 GLN 674 0.830 -4.384 -6.748 239 HE21 GLN 674 HE21 GLN 674 2.510 -3.104 -6.024 240 HE22 GLN 674 HE22 GLN 674 2.351 -1.393 -5.825 241 H ARG 675 HN ARG 675 -0.151 -6.786 -6.110 242 HA ARG 675 HA ARG 675 -2.153 -7.599 -4.116 243 HB2 ARG 675 HB2 ARG 675 -1.172 -9.395 -5.566 244 HB3 ARG 675 HB1 ARG 675 0.386 -9.062 -4.819 245 HG2 ARG 675 HG2 ARG 675 -0.573 -9.598 -2.622 246 HG3 ARG 675 HG1 ARG 675 -2.105 -9.983 -3.404 247 HD2 ARG 675 HD2 ARG 675 0.505 -11.346 -4.013 248 HD3 ARG 675 HD1 ARG 675 -0.694 -11.960 -2.880 249 HE ARG 675 HE ARG 675 -1.836 -11.462 -5.437 250 HH11 ARG 675 HH11 ARG 675 0.145 -13.731 -3.661 251 HH12 ARG 675 HH12 ARG 675 -0.310 -15.092 -4.634 252 HH21 ARG 675 HH21 ARG 675 -2.441 -13.263 -6.731 253 HH22 ARG 675 HH22 ARG 675 -1.772 -14.823 -6.384 254 H VAL 676 HN VAL 676 -1.884 -7.038 -2.099 255 HA VAL 676 HA VAL 676 0.663 -5.756 -1.325 256 HB VAL 676 HB VAL 676 -0.666 -4.320 0.152 257 HG11 VAL 676 HG11 VAL 676 -1.599 -4.251 -2.714 258 HG12 VAL 676 HG12 VAL 676 -0.110 -3.537 -2.095 259 HG13 VAL 676 HG13 VAL 676 -1.673 -2.911 -1.571 260 HG21 VAL 676 HG21 VAL 676 -3.113 -4.267 -0.044 261 HG22 VAL 676 HG22 VAL 676 -2.545 -5.832 0.542 262 HG23 VAL 676 HG23 VAL 676 -3.053 -5.650 -1.139 263 H ARG 677 HN ARG 677 1.114 -5.778 0.987 264 HA ARG 677 HA ARG 677 -0.241 -7.904 2.487 265 HB2 ARG 677 HB2 ARG 677 1.972 -8.648 1.497 266 HB3 ARG 677 HB1 ARG 677 2.745 -7.469 2.541 267 HG2 ARG 677 HG2 ARG 677 1.930 -8.612 4.500 268 HG3 ARG 677 HG1 ARG 677 1.029 -9.747 3.492 269 HD2 ARG 677 HD2 ARG 677 3.101 -10.750 4.263 270 HD3 ARG 677 HD1 ARG 677 3.122 -10.538 2.514 271 HE ARG 677 HE ARG 677 4.334 -8.345 3.899 272 HH11 ARG 677 HH11 ARG 677 4.882 -11.584 2.693 273 HH12 ARG 677 HH12 ARG 677 6.601 -11.388 2.576 274 HH21 ARG 677 HH21 ARG 677 6.589 -8.071 3.738 275 HH22 ARG 677 HH22 ARG 677 7.579 -9.388 3.173 276 H HIS 678 HN HIS 678 -1.018 -7.122 4.313 277 HA HIS 678 HA HIS 678 0.463 -5.007 5.739 278 HB2 HIS 678 HB2 HIS 678 -1.545 -4.145 4.393 279 HB3 HIS 678 HB1 HIS 678 -2.548 -5.050 5.519 280 HD1 HIS 678 HD1 HIS 678 0.041 -2.252 5.597 281 HD2 HIS 678 HD2 HIS 678 -3.236 -3.661 7.730 282 HE1 HIS 678 HE1 HIS 678 -0.348 -0.575 7.423 283 HE2 HIS 678 HE2 HIS 678 -2.441 -1.352 8.589 284 H ALA 679 HN ALA 679 0.766 -5.556 7.841 285 HA ALA 679 HA ALA 679 0.304 -8.198 8.610 286 HB1 ALA 679 HB1 ALA 679 2.161 -6.825 9.419 287 HB2 ALA 679 HB2 ALA 679 1.268 -7.583 10.740 288 HB3 ALA 679 HB3 ALA 679 1.026 -5.874 10.377 289 H LYS 680 HN LYS 680 -1.739 -5.472 8.960 290 HA LYS 680 HA LYS 680 -3.185 -6.545 11.225 291 HB2 LYS 680 HB2 LYS 680 -3.510 -4.073 9.551 292 HB3 LYS 680 HB1 LYS 680 -4.702 -4.539 10.749 293 HG2 LYS 680 HG2 LYS 680 -3.250 -2.911 11.715 294 HG3 LYS 680 HG1 LYS 680 -2.928 -4.463 12.475 295 HD2 LYS 680 HD2 LYS 680 -0.947 -4.752 11.104 296 HD3 LYS 680 HD1 LYS 680 -1.288 -3.237 10.263 297 HE2 LYS 680 HE2 LYS 680 0.435 -2.955 11.985 298 HE3 LYS 680 HE1 LYS 680 -1.002 -1.999 12.333 299 HZ1 LYS 680 HZ1 LYS 680 -0.357 -4.622 13.565 300 HZ2 LYS 680 HZ2 LYS 680 -1.698 -3.660 13.928 301 HZ3 LYS 680 HZ3 LYS 680 -0.143 -3.118 14.303 302 H PHE 681 HN PHE 681 -3.585 -6.374 7.734 303 HA PHE 681 HA PHE 681 -6.236 -7.627 8.056 304 HB2 PHE 681 HB2 PHE 681 -5.253 -5.824 5.843 305 HB3 PHE 681 HB1 PHE 681 -6.787 -6.683 5.814 306 HD1 PHE 681 HD1 PHE 681 -8.291 -6.271 7.955 307 HD2 PHE 681 HD2 PHE 681 -5.245 -3.646 6.559 308 HE1 PHE 681 HE1 PHE 681 -9.365 -4.400 9.137 309 HE2 PHE 681 HE2 PHE 681 -6.315 -1.775 7.742 310 HZ PHE 681 HZ PHE 681 -8.375 -2.150 9.031 311 H GLY 682 HN GLY 682 -3.098 -8.120 6.896 312 HA2 GLY 682 HA2 GLY 682 -2.389 -10.270 6.139 313 HA3 GLY 682 HA1 GLY 682 -4.002 -10.539 5.493 314 H GLU 683 HN GLU 683 -2.955 -11.150 3.497 315 HA GLU 683 HA GLU 683 -1.976 -8.853 1.965 316 HB2 GLU 683 HB2 GLU 683 -1.131 -10.498 0.330 317 HB3 GLU 683 HB1 GLU 683 -0.441 -10.736 1.927 318 HG2 GLU 683 HG2 GLU 683 -2.807 -12.320 1.010 319 HG3 GLU 683 HG1 GLU 683 -1.166 -12.785 0.573 320 H GLY 684 HN GLY 684 -2.948 -8.279 0.026 321 HA2 GLY 684 HA2 GLY 684 -5.297 -9.753 -0.845 322 HA3 GLY 684 HA1 GLY 684 -5.611 -8.164 -0.166 323 H THR 685 HN THR 685 -6.454 -8.445 -2.603 324 HA THR 685 HA THR 685 -4.391 -7.263 -4.341 325 HB THR 685 HB THR 685 -6.928 -8.714 -5.134 326 HG1 THR 685 HG1 THR 685 -5.113 -9.998 -4.300 327 HG21 THR 685 HG21 THR 685 -6.033 -8.575 -7.422 328 HG22 THR 685 HG22 THR 685 -4.697 -7.587 -6.832 329 HG23 THR 685 HG23 THR 685 -6.350 -6.976 -6.747 330 H ILE 686 HN ILE 686 -4.611 -5.181 -4.788 331 HA ILE 686 HA ILE 686 -6.856 -3.662 -3.919 332 HB ILE 686 HB ILE 686 -4.713 -2.817 -5.875 333 HG12 ILE 686 HG12 ILE 686 -4.771 -2.595 -2.855 334 HG13 ILE 686 HG11 ILE 686 -3.722 -3.660 -3.784 335 HG21 ILE 686 HG21 ILE 686 -6.640 -1.333 -5.845 336 HG22 ILE 686 HG22 ILE 686 -5.252 -0.548 -5.092 337 HG23 ILE 686 HG23 ILE 686 -6.543 -1.210 -4.088 338 HD11 ILE 686 HD11 ILE 686 -2.643 -1.708 -4.786 339 HD12 ILE 686 HD12 ILE 686 -2.523 -1.698 -3.027 340 HD13 ILE 686 HD13 ILE 686 -3.689 -0.652 -3.836 341 H VAL 687 HN VAL 687 -8.781 -3.897 -4.867 342 HA VAL 687 HA VAL 687 -8.869 -4.513 -7.732 343 HB VAL 687 HB VAL 687 -11.235 -5.148 -7.317 344 HG11 VAL 687 HG11 VAL 687 -10.738 -7.217 -6.105 345 HG12 VAL 687 HG12 VAL 687 -9.210 -6.526 -5.557 346 HG13 VAL 687 HG13 VAL 687 -9.475 -6.832 -7.273 347 HG21 VAL 687 HG21 VAL 687 -11.648 -3.703 -5.380 348 HG22 VAL 687 HG22 VAL 687 -10.541 -4.684 -4.416 349 HG23 VAL 687 HG23 VAL 687 -12.039 -5.387 -5.026 350 H ASN 688 HN ASN 688 -9.496 -2.000 -5.523 351 HA ASN 688 HA ASN 688 -10.412 -0.276 -7.648 352 HB2 ASN 688 HB2 ASN 688 -12.499 -1.414 -6.761 353 HB3 ASN 688 HB1 ASN 688 -12.175 -0.646 -5.220 354 HD21 ASN 688 HD21 ASN 688 -13.187 -0.160 -8.497 355 HD22 ASN 688 HD22 ASN 688 -13.810 1.437 -8.277 356 H MET 689 HN MET 689 -10.538 1.970 -6.896 357 HA MET 689 HA MET 689 -9.458 2.559 -4.280 358 HB2 MET 689 HB2 MET 689 -7.622 3.943 -5.085 359 HB3 MET 689 HB1 MET 689 -7.414 2.290 -5.638 360 HG2 MET 689 HG2 MET 689 -6.860 3.469 -7.515 361 HG3 MET 689 HG1 MET 689 -8.572 3.166 -7.801 362 HE1 MET 689 HE1 MET 689 -8.476 5.127 -9.668 363 HE2 MET 689 HE2 MET 689 -6.779 5.405 -9.281 364 HE3 MET 689 HE3 MET 689 -7.908 6.759 -9.318 365 H GLU 690 HN GLU 690 -9.881 4.712 -3.624 366 HA GLU 690 HA GLU 690 -11.913 6.011 -5.337 367 HB2 GLU 690 HB2 GLU 690 -11.924 5.977 -2.318 368 HB3 GLU 690 HB1 GLU 690 -13.185 6.586 -3.378 369 HG2 GLU 690 HG2 GLU 690 -13.544 4.284 -4.202 370 HG3 GLU 690 HG1 GLU 690 -12.355 3.714 -3.031 371 H GLY 691 HN GLY 691 -11.378 7.993 -5.941 372 HA2 GLY 691 HA2 GLY 691 -10.710 10.182 -5.808 373 HA3 GLY 691 HA1 GLY 691 -10.575 9.971 -4.070 374 H SER 692 HN SER 692 -8.754 11.517 -4.652 375 HA SER 692 HA SER 692 -6.303 9.942 -4.895 376 HB2 SER 692 HB2 SER 692 -5.376 11.887 -6.302 377 HB3 SER 692 HB1 SER 692 -6.487 10.774 -7.103 378 HG SER 692 HG SER 692 -8.096 12.261 -6.969 379 H GLY 693 HN GLY 693 -4.374 11.231 -4.170 380 HA2 GLY 693 HA2 GLY 693 -3.323 12.778 -2.805 381 HA3 GLY 693 HA1 GLY 693 -4.869 13.579 -2.569 382 H GLU 694 HN GLU 694 -4.547 13.804 -0.368 383 HA GLU 694 HA GLU 694 -3.807 11.724 1.382 384 HB2 GLU 694 HB2 GLU 694 -5.356 14.260 1.928 385 HB3 GLU 694 HB1 GLU 694 -4.681 13.214 3.166 386 HG2 GLU 694 HG2 GLU 694 -3.043 14.576 1.050 387 HG3 GLU 694 HG1 GLU 694 -3.333 15.241 2.655 388 H HIS 695 HN HIS 695 -6.955 12.923 0.315 389 HA HIS 695 HA HIS 695 -8.334 11.073 2.076 390 HB2 HIS 695 HB2 HIS 695 -10.403 12.081 1.261 391 HB3 HIS 695 HB1 HIS 695 -9.268 13.320 1.773 392 HD1 HIS 695 HD1 HIS 695 -8.508 15.007 0.037 393 HD2 HIS 695 HD2 HIS 695 -10.869 11.974 -1.550 394 HE1 HIS 695 HE1 HIS 695 -9.097 15.752 -2.290 395 HE2 HIS 695 HE2 HIS 695 -10.439 13.862 -3.265 396 H SER 696 HN SER 696 -6.640 10.206 -0.268 397 HA SER 696 HA SER 696 -8.541 8.866 -1.982 398 HB2 SER 696 HB2 SER 696 -6.278 9.633 -2.783 399 HB3 SER 696 HB1 SER 696 -5.556 8.396 -1.756 400 HG SER 696 HG SER 696 -7.316 8.005 -3.958 401 H ARG 697 HN ARG 697 -9.099 6.723 -1.890 402 HA ARG 697 HA ARG 697 -8.085 5.198 0.424 403 HB2 ARG 697 HB2 ARG 697 -10.850 4.935 -0.756 404 HB3 ARG 697 HB1 ARG 697 -10.241 4.192 0.713 405 HG2 ARG 697 HG2 ARG 697 -10.115 6.368 1.783 406 HG3 ARG 697 HG1 ARG 697 -10.684 7.139 0.299 407 HD2 ARG 697 HD2 ARG 697 -12.691 5.557 0.487 408 HD3 ARG 697 HD1 ARG 697 -12.165 5.303 2.147 409 HE ARG 697 HE ARG 697 -12.364 7.821 2.337 410 HH11 ARG 697 HH11 ARG 697 -14.285 5.932 0.095 411 HH12 ARG 697 HH12 ARG 697 -15.643 7.015 0.162 412 HH21 ARG 697 HH21 ARG 697 -14.141 9.262 2.397 413 HH22 ARG 697 HH22 ARG 697 -15.550 8.920 1.445 414 H LEU 698 HN LEU 698 -7.840 2.970 0.105 415 HA LEU 698 HA LEU 698 -8.053 2.074 -2.696 416 HB2 LEU 698 HB2 LEU 698 -6.278 0.794 -0.647 417 HB3 LEU 698 HB1 LEU 698 -6.195 0.690 -2.393 418 HG LEU 698 HG LEU 698 -5.588 3.222 -0.880 419 HD11 LEU 698 HD11 LEU 698 -3.687 1.098 -1.857 420 HD12 LEU 698 HD12 LEU 698 -4.054 1.469 -0.172 421 HD13 LEU 698 HD13 LEU 698 -3.232 2.662 -1.178 422 HD21 LEU 698 HD21 LEU 698 -6.179 3.505 -3.232 423 HD22 LEU 698 HD22 LEU 698 -4.952 2.323 -3.687 424 HD23 LEU 698 HD23 LEU 698 -4.473 3.854 -2.955 425 H GLN 699 HN GLN 699 -9.400 0.411 -3.051 426 HA GLN 699 HA GLN 699 -10.487 -0.976 -0.716 427 HB2 GLN 699 HB2 GLN 699 -11.482 -0.505 -3.480 428 HB3 GLN 699 HB1 GLN 699 -12.021 -1.949 -2.634 429 HG2 GLN 699 HG2 GLN 699 -12.808 -0.568 -0.784 430 HG3 GLN 699 HG1 GLN 699 -12.293 0.878 -1.652 431 HE21 GLN 699 HE21 GLN 699 -13.451 1.544 -3.469 432 HE22 GLN 699 HE22 GLN 699 -15.044 0.964 -3.800 433 H VAL 700 HN VAL 700 -9.250 -2.544 -0.149 434 HA VAL 700 HA VAL 700 -7.866 -4.122 -2.194 435 HB VAL 700 HB VAL 700 -7.365 -4.184 0.778 436 HG11 VAL 700 HG11 VAL 700 -6.531 -6.094 -0.474 437 HG12 VAL 700 HG12 VAL 700 -5.199 -5.102 0.121 438 HG13 VAL 700 HG13 VAL 700 -5.676 -5.014 -1.576 439 HG21 VAL 700 HG21 VAL 700 -5.493 -2.655 0.397 440 HG22 VAL 700 HG22 VAL 700 -7.034 -1.898 -0.006 441 HG23 VAL 700 HG23 VAL 700 -5.978 -2.481 -1.290 442 H ALA 701 HN ALA 701 -8.612 -6.054 -2.691 443 HA ALA 701 HA ALA 701 -10.570 -7.355 -0.990 444 HB1 ALA 701 HB1 ALA 701 -9.410 -8.204 -3.646 445 HB2 ALA 701 HB2 ALA 701 -10.924 -7.329 -3.415 446 HB3 ALA 701 HB3 ALA 701 -10.756 -8.978 -2.812 447 H PHE 702 HN PHE 702 -9.472 -8.022 0.795 448 HA PHE 702 HA PHE 702 -6.983 -9.446 0.604 449 HB2 PHE 702 HB2 PHE 702 -8.871 -8.925 2.906 450 HB3 PHE 702 HB1 PHE 702 -7.370 -9.825 3.074 451 HD1 PHE 702 HD1 PHE 702 -8.868 -6.534 2.638 452 HD2 PHE 702 HD2 PHE 702 -5.216 -8.707 2.825 453 HE1 PHE 702 HE1 PHE 702 -7.638 -4.432 2.965 454 HE2 PHE 702 HE2 PHE 702 -3.980 -6.605 3.149 455 HZ PHE 702 HZ PHE 702 -5.190 -4.465 3.221 456 H GLN 703 HN GLN 703 -6.801 -11.480 0.064 457 HA GLN 703 HA GLN 703 -8.994 -13.078 -0.607 458 HB2 GLN 703 HB2 GLN 703 -7.315 -14.873 -0.938 459 HB3 GLN 703 HB1 GLN 703 -6.874 -13.356 -1.708 460 HG2 GLN 703 HG2 GLN 703 -5.431 -12.874 0.283 461 HG3 GLN 703 HG1 GLN 703 -5.753 -14.521 0.824 462 HE21 GLN 703 HE21 GLN 703 -3.612 -15.135 0.664 463 HE22 GLN 703 HE22 GLN 703 -2.820 -15.359 -0.856 464 H GLY 704 HN GLY 704 -7.375 -12.698 2.416 465 HA2 GLY 704 HA2 GLY 704 -8.329 -15.206 3.498 466 HA3 GLY 704 HA1 GLY 704 -7.482 -13.943 4.379 467 H GLN 705 HN GLN 705 -9.575 -12.026 3.133 468 HA GLN 705 HA GLN 705 -11.810 -12.727 4.896 469 HB2 GLN 705 HB2 GLN 705 -10.332 -10.093 4.919 470 HB3 GLN 705 HB1 GLN 705 -11.885 -10.357 5.700 471 HG2 GLN 705 HG2 GLN 705 -10.888 -12.023 7.156 472 HG3 GLN 705 HG1 GLN 705 -9.334 -11.814 6.349 473 HE21 GLN 705 HE21 GLN 705 -8.139 -9.953 6.718 474 HE22 GLN 705 HE22 GLN 705 -8.475 -8.892 8.043 475 H GLY 706 HN GLY 706 -11.108 -9.699 3.209 476 HA2 GLY 706 HA2 GLY 706 -12.695 -10.114 0.946 477 HA3 GLY 706 HA1 GLY 706 -13.716 -9.440 2.211 478 H ILE 707 HN ILE 707 -14.011 -7.558 0.930 479 HA ILE 707 HA ILE 707 -11.687 -5.996 0.193 480 HB ILE 707 HB ILE 707 -14.622 -5.349 -0.129 481 HG12 ILE 707 HG12 ILE 707 -12.638 -6.473 -2.122 482 HG13 ILE 707 HG11 ILE 707 -13.939 -7.380 -1.359 483 HG21 ILE 707 HG21 ILE 707 -13.235 -3.354 -0.160 484 HG22 ILE 707 HG22 ILE 707 -13.839 -3.702 -1.780 485 HG23 ILE 707 HG23 ILE 707 -12.171 -4.089 -1.359 486 HD11 ILE 707 HD11 ILE 707 -14.502 -6.722 -3.634 487 HD12 ILE 707 HD12 ILE 707 -14.293 -5.024 -3.199 488 HD13 ILE 707 HD13 ILE 707 -15.584 -5.973 -2.460 489 H LYS 708 HN LYS 708 -10.827 -4.442 1.367 490 HA LYS 708 HA LYS 708 -12.456 -3.149 3.460 491 HB2 LYS 708 HB2 LYS 708 -9.567 -3.992 3.524 492 HB3 LYS 708 HB1 LYS 708 -10.136 -2.667 4.522 493 HG2 LYS 708 HG2 LYS 708 -10.125 -4.571 5.892 494 HG3 LYS 708 HG1 LYS 708 -11.814 -4.267 5.495 495 HD2 LYS 708 HD2 LYS 708 -11.824 -6.041 3.891 496 HD3 LYS 708 HD1 LYS 708 -10.079 -6.250 4.042 497 HE2 LYS 708 HE2 LYS 708 -11.264 -7.981 5.272 498 HE3 LYS 708 HE1 LYS 708 -10.354 -6.939 6.365 499 HZ1 LYS 708 HZ1 LYS 708 -12.557 -7.402 7.227 500 HZ2 LYS 708 HZ2 LYS 708 -13.272 -6.763 5.835 501 HZ3 LYS 708 HZ3 LYS 708 -12.401 -5.754 6.877 502 H TRP 709 HN TRP 709 -11.792 -0.930 3.938 503 HA TRP 709 HA TRP 709 -10.774 0.427 1.541 504 HB2 TRP 709 HB2 TRP 709 -11.910 2.449 2.431 505 HB3 TRP 709 HB1 TRP 709 -13.033 1.122 2.157 506 HD1 TRP 709 HD1 TRP 709 -13.653 -0.330 4.486 507 HE1 TRP 709 HE1 TRP 709 -14.064 0.564 6.850 508 HE3 TRP 709 HE3 TRP 709 -11.442 4.253 4.013 509 HZ2 TRP 709 HZ2 TRP 709 -13.557 2.921 8.327 510 HZ3 TRP 709 HZ3 TRP 709 -11.460 5.774 5.947 511 HH2 TRP 709 HH2 TRP 709 -12.496 5.121 8.059 512 H LEU 710 HN LEU 710 -8.733 1.007 1.669 513 HA LEU 710 HA LEU 710 -7.628 1.710 4.308 514 HB2 LEU 710 HB2 LEU 710 -6.336 0.486 1.876 515 HB3 LEU 710 HB1 LEU 710 -5.389 1.227 3.149 516 HG LEU 710 HG LEU 710 -5.381 -1.143 3.492 517 HD11 LEU 710 HD11 LEU 710 -5.549 0.273 5.491 518 HD12 LEU 710 HD12 LEU 710 -6.277 -1.314 5.724 519 HD13 LEU 710 HD13 LEU 710 -7.303 0.093 5.456 520 HD21 LEU 710 HD21 LEU 710 -7.417 -2.449 3.828 521 HD22 LEU 710 HD22 LEU 710 -7.370 -1.736 2.216 522 HD23 LEU 710 HD23 LEU 710 -8.396 -1.028 3.464 523 H VAL 711 HN VAL 711 -7.403 3.822 4.572 524 HA VAL 711 HA VAL 711 -7.492 5.710 2.462 525 HB VAL 711 HB VAL 711 -6.441 6.120 5.271 526 HG11 VAL 711 HG11 VAL 711 -7.021 8.476 4.900 527 HG12 VAL 711 HG12 VAL 711 -7.489 8.093 3.242 528 HG13 VAL 711 HG13 VAL 711 -5.808 7.913 3.750 529 HG21 VAL 711 HG21 VAL 711 -9.236 6.485 4.194 530 HG22 VAL 711 HG22 VAL 711 -8.694 6.893 5.823 531 HG23 VAL 711 HG23 VAL 711 -8.709 5.211 5.293 532 H ALA 712 HN ALA 712 -5.951 6.176 1.063 533 HA ALA 712 HA ALA 712 -3.558 4.787 0.928 534 HB1 ALA 712 HB1 ALA 712 -4.730 5.785 -0.985 535 HB2 ALA 712 HB2 ALA 712 -3.012 6.185 -0.958 536 HB3 ALA 712 HB3 ALA 712 -4.205 7.382 -0.451 537 H ALA 713 HN ALA 713 -4.180 7.940 2.339 538 HA ALA 713 HA ALA 713 -1.498 8.810 2.514 539 HB1 ALA 713 HB1 ALA 713 -3.828 9.555 4.275 540 HB2 ALA 713 HB2 ALA 713 -3.429 10.306 2.733 541 HB3 ALA 713 HB3 ALA 713 -2.322 10.455 4.097 542 H TYR 714 HN TYR 714 -3.353 6.573 4.389 543 HA TYR 714 HA TYR 714 -1.098 6.245 6.250 544 HB2 TYR 714 HB2 TYR 714 -3.995 6.102 7.110 545 HB3 TYR 714 HB1 TYR 714 -2.569 6.049 8.140 546 HD1 TYR 714 HD1 TYR 714 -5.024 8.140 6.580 547 HD2 TYR 714 HD2 TYR 714 -1.142 8.149 8.320 548 HE1 TYR 714 HE1 TYR 714 -5.167 10.574 6.870 549 HE2 TYR 714 HE2 TYR 714 -1.275 10.586 8.617 550 HH TYR 714 HH TYR 714 -4.200 12.327 8.213 551 H ALA 715 HN ALA 715 -1.885 4.833 3.854 552 HA ALA 715 HA ALA 715 -3.325 2.465 4.621 553 HB1 ALA 715 HB1 ALA 715 -2.994 1.765 2.310 554 HB2 ALA 715 HB2 ALA 715 -1.885 3.113 2.052 555 HB3 ALA 715 HB3 ALA 715 -3.587 3.425 2.393 556 H ARG 716 HN ARG 716 -0.045 3.027 3.337 557 HA ARG 716 HA ARG 716 1.909 1.910 3.605 558 HB2 ARG 716 HB2 ARG 716 1.600 2.593 5.919 559 HB3 ARG 716 HB1 ARG 716 0.637 1.158 6.233 560 HG2 ARG 716 HG2 ARG 716 2.503 -0.261 6.042 561 HG3 ARG 716 HG1 ARG 716 3.493 1.018 5.328 562 HD2 ARG 716 HD2 ARG 716 2.335 1.186 8.091 563 HD3 ARG 716 HD1 ARG 716 3.925 0.504 7.758 564 HE ARG 716 HE ARG 716 4.467 2.729 6.747 565 HH11 ARG 716 HH11 ARG 716 1.961 2.458 9.198 566 HH12 ARG 716 HH12 ARG 716 2.173 4.078 9.772 567 HH21 ARG 716 HH21 ARG 716 4.730 4.859 7.502 568 HH22 ARG 716 HH22 ARG 716 3.743 5.450 8.799 569 H LEU 717 HN LEU 717 0.924 0.581 1.811 570 HA LEU 717 HA LEU 717 0.538 -2.197 2.683 571 HB2 LEU 717 HB2 LEU 717 -0.314 -0.720 0.219 572 HB3 LEU 717 HB1 LEU 717 -0.151 -2.460 0.184 573 HG LEU 717 HG LEU 717 -2.442 -1.990 0.545 574 HD11 LEU 717 HD11 LEU 717 -1.263 -2.659 3.231 575 HD12 LEU 717 HD12 LEU 717 -1.529 -3.805 1.918 576 HD13 LEU 717 HD13 LEU 717 -2.902 -3.008 2.685 577 HD21 LEU 717 HD21 LEU 717 -1.604 -0.180 2.791 578 HD22 LEU 717 HD22 LEU 717 -3.264 -0.589 2.356 579 HD23 LEU 717 HD23 LEU 717 -2.255 0.317 1.228 580 H GLU 718 HN GLU 718 2.119 -3.571 2.422 581 HA GLU 718 HA GLU 718 4.485 -2.767 0.927 582 HB2 GLU 718 HB2 GLU 718 4.803 -3.593 3.195 583 HB3 GLU 718 HB1 GLU 718 3.941 -5.073 2.809 584 HG2 GLU 718 HG2 GLU 718 5.721 -5.677 1.229 585 HG3 GLU 718 HG1 GLU 718 6.591 -4.210 1.673 586 H SER 719 HN SER 719 5.003 -3.614 -1.009 587 HA SER 719 HA SER 719 3.259 -5.328 -2.410 588 HB2 SER 719 HB2 SER 719 5.212 -5.474 -4.039 589 HB3 SER 719 HB1 SER 719 4.632 -3.847 -3.681 590 HG SER 719 HG SER 719 6.775 -5.039 -2.255 591 H VAL 720 HN VAL 720 3.085 -7.481 -2.383 592 HA VAL 720 HA VAL 720 4.504 -9.038 -0.505 593 HB VAL 720 HB VAL 720 3.008 -10.171 -2.865 594 HG11 VAL 720 HG11 VAL 720 2.535 -12.009 -1.339 595 HG12 VAL 720 HG12 VAL 720 3.421 -11.187 -0.055 596 HG13 VAL 720 HG13 VAL 720 4.273 -11.754 -1.493 597 HG21 VAL 720 HG21 VAL 720 1.562 -8.508 -1.887 598 HG22 VAL 720 HG22 VAL 720 1.878 -9.138 -0.274 599 HG23 VAL 720 HG23 VAL 720 0.991 -10.115 -1.438 Start of MODEL 5 1 H1 ARG 645 HT1 ARG 645 21.990 -18.397 -2.381 2 H2 ARG 645 HT2 ARG 645 20.628 -17.608 -2.987 3 H3 ARG 645 HT3 ARG 645 22.165 -17.125 -3.475 4 HA ARG 645 HA ARG 645 22.547 -19.162 -4.598 5 HB2 ARG 645 HB2 ARG 645 20.867 -20.898 -4.770 6 HB3 ARG 645 HB1 ARG 645 21.254 -20.612 -3.084 7 HG2 ARG 645 HG2 ARG 645 18.878 -19.310 -4.356 8 HG3 ARG 645 HG1 ARG 645 18.802 -20.965 -3.756 9 HD2 ARG 645 HD2 ARG 645 19.397 -20.234 -1.536 10 HD3 ARG 645 HD1 ARG 645 19.635 -18.586 -2.108 11 HE ARG 645 HE ARG 645 17.001 -19.554 -2.634 12 HH11 ARG 645 HH11 ARG 645 19.063 -18.158 -0.171 13 HH12 ARG 645 HH12 ARG 645 17.745 -17.465 0.721 14 HH21 ARG 645 HH21 ARG 645 15.255 -18.655 -1.457 15 HH22 ARG 645 HH22 ARG 645 15.575 -17.750 -0.011 16 H LEU 646 HN LEU 646 19.691 -17.111 -4.474 17 HA LEU 646 HA LEU 646 19.818 -16.919 -7.392 18 HB2 LEU 646 HB2 LEU 646 18.034 -18.501 -6.936 19 HB3 LEU 646 HB1 LEU 646 17.297 -17.387 -5.802 20 HG LEU 646 HG LEU 646 16.867 -15.812 -7.669 21 HD11 LEU 646 HD11 LEU 646 17.075 -16.629 -9.970 22 HD12 LEU 646 HD12 LEU 646 17.898 -18.070 -9.374 23 HD13 LEU 646 HD13 LEU 646 18.640 -16.484 -9.172 24 HD21 LEU 646 HD21 LEU 646 15.129 -17.342 -6.943 25 HD22 LEU 646 HD22 LEU 646 15.747 -18.588 -8.027 26 HD23 LEU 646 HD23 LEU 646 15.055 -17.107 -8.689 27 H ARG 647 HN ARG 647 17.653 -15.627 -4.876 28 HA ARG 647 HA ARG 647 18.307 -12.930 -5.830 29 HB2 ARG 647 HB2 ARG 647 16.008 -13.825 -4.081 30 HB3 ARG 647 HB1 ARG 647 16.249 -12.210 -4.728 31 HG2 ARG 647 HG2 ARG 647 16.018 -13.136 -7.009 32 HG3 ARG 647 HG1 ARG 647 15.663 -14.710 -6.296 33 HD2 ARG 647 HD2 ARG 647 14.077 -12.174 -5.934 34 HD3 ARG 647 HD1 ARG 647 13.603 -13.580 -6.885 35 HE ARG 647 HE ARG 647 13.885 -14.708 -4.518 36 HH11 ARG 647 HH11 ARG 647 12.392 -11.651 -5.327 37 HH12 ARG 647 HH12 ARG 647 11.272 -11.706 -4.006 38 HH21 ARG 647 HH21 ARG 647 12.412 -14.775 -2.769 39 HH22 ARG 647 HH22 ARG 647 11.280 -13.477 -2.555 40 H ALA 648 HN ALA 648 20.019 -12.210 -4.736 41 HA ALA 648 HA ALA 648 20.693 -13.027 -2.109 42 HB1 ALA 648 HB1 ALA 648 21.718 -10.687 -3.713 43 HB2 ALA 648 HB2 ALA 648 22.378 -12.323 -3.727 44 HB3 ALA 648 HB3 ALA 648 22.464 -11.350 -2.259 45 H THR 649 HN THR 649 20.114 -12.250 -0.206 46 HA THR 649 HA THR 649 19.131 -9.524 0.045 47 HB THR 649 HB THR 649 17.091 -10.836 -0.360 48 HG1 THR 649 HG1 THR 649 16.282 -10.441 2.036 49 HG21 THR 649 HG21 THR 649 17.882 -12.404 2.098 50 HG22 THR 649 HG22 THR 649 17.842 -13.017 0.445 51 HG23 THR 649 HG23 THR 649 16.344 -12.536 1.243 52 H VAL 650 HN VAL 650 19.781 -8.612 1.903 53 HA VAL 650 HA VAL 650 21.637 -10.107 3.524 54 HB VAL 650 HB VAL 650 20.757 -7.229 3.817 55 HG11 VAL 650 HG11 VAL 650 21.786 -8.123 5.836 56 HG12 VAL 650 HG12 VAL 650 22.848 -6.948 5.059 57 HG13 VAL 650 HG13 VAL 650 23.174 -8.675 4.897 58 HG21 VAL 650 HG21 VAL 650 23.115 -8.389 2.339 59 HG22 VAL 650 HG22 VAL 650 22.826 -6.672 2.614 60 HG23 VAL 650 HG23 VAL 650 21.712 -7.605 1.616 61 H SER 651 HN SER 651 18.675 -8.229 4.153 62 HA SER 651 HA SER 651 17.849 -10.100 6.169 63 HB2 SER 651 HB2 SER 651 17.740 -8.305 7.972 64 HB3 SER 651 HB1 SER 651 19.352 -8.905 7.582 65 HG SER 651 HG SER 651 19.884 -6.961 7.004 66 H ARG 652 HN ARG 652 17.288 -6.625 5.702 67 HA ARG 652 HA ARG 652 14.488 -7.266 5.049 68 HB2 ARG 652 HB2 ARG 652 15.578 -4.838 6.487 69 HB3 ARG 652 HB1 ARG 652 13.898 -5.060 6.016 70 HG2 ARG 652 HG2 ARG 652 15.437 -6.760 7.970 71 HG3 ARG 652 HG1 ARG 652 14.208 -5.556 8.365 72 HD2 ARG 652 HD2 ARG 652 12.562 -6.875 7.070 73 HD3 ARG 652 HD1 ARG 652 13.797 -8.102 6.802 74 HE ARG 652 HE ARG 652 13.694 -7.789 9.519 75 HH11 ARG 652 HH11 ARG 652 11.406 -8.629 7.011 76 HH12 ARG 652 HH12 ARG 652 10.416 -9.598 8.057 77 HH21 ARG 652 HH21 ARG 652 12.382 -9.067 10.906 78 HH22 ARG 652 HH22 ARG 652 10.961 -9.835 10.265 79 HA PRO 653 HA PRO 653 15.648 -5.518 1.067 80 HB2 PRO 653 HB2 PRO 653 12.703 -5.715 0.737 81 HB3 PRO 653 HB1 PRO 653 13.995 -6.325 -0.303 82 HG2 PRO 653 HG2 PRO 653 12.573 -7.985 1.220 83 HG3 PRO 653 HG1 PRO 653 14.313 -8.226 0.983 84 HD2 PRO 653 HD2 PRO 653 12.854 -7.101 3.334 85 HD3 PRO 653 HD1 PRO 653 14.274 -8.165 3.291 86 H VAL 654 HN VAL 654 15.045 -3.603 -0.138 87 HA VAL 654 HA VAL 654 14.457 -1.401 1.605 88 HB VAL 654 HB VAL 654 14.831 -1.345 -1.394 89 HG11 VAL 654 HG11 VAL 654 15.073 0.819 0.695 90 HG12 VAL 654 HG12 VAL 654 13.813 0.681 -0.532 91 HG13 VAL 654 HG13 VAL 654 15.479 1.000 -1.011 92 HG21 VAL 654 HG21 VAL 654 17.166 -0.773 -0.926 93 HG22 VAL 654 HG22 VAL 654 16.756 -2.380 -0.325 94 HG23 VAL 654 HG23 VAL 654 16.879 -1.024 0.796 95 H SER 655 HN SER 655 12.312 -2.068 2.187 96 HA SER 655 HA SER 655 10.239 -1.728 0.171 97 HB2 SER 655 HB2 SER 655 9.959 -2.388 3.114 98 HB3 SER 655 HB1 SER 655 8.726 -2.562 1.867 99 HG SER 655 HG SER 655 9.897 -4.214 0.948 100 H HIS 656 HN HIS 656 11.709 0.560 0.633 101 HA HIS 656 HA HIS 656 9.994 2.215 2.357 102 HB2 HIS 656 HB2 HIS 656 12.801 2.743 1.347 103 HB3 HIS 656 HB1 HIS 656 11.858 3.858 2.327 104 HD1 HIS 656 HD1 HIS 656 11.443 3.155 4.838 105 HD2 HIS 656 HD2 HIS 656 14.088 0.731 2.736 106 HE1 HIS 656 HE1 HIS 656 12.673 1.822 6.581 107 HE2 HIS 656 HE2 HIS 656 14.335 0.436 5.295 108 H GLN 657 HN GLN 657 8.384 2.905 1.085 109 HA GLN 657 HA GLN 657 9.078 4.048 -1.532 110 HB2 GLN 657 HB2 GLN 657 6.834 3.612 -2.251 111 HB3 GLN 657 HB1 GLN 657 7.457 2.141 -1.524 112 HG2 GLN 657 HG2 GLN 657 5.642 4.100 -0.132 113 HG3 GLN 657 HG1 GLN 657 5.102 2.636 -0.947 114 HE21 GLN 657 HE21 GLN 657 4.856 3.443 1.843 115 HE22 GLN 657 HE22 GLN 657 5.614 2.196 2.772 116 H ARG 658 HN ARG 658 8.061 6.021 -2.178 117 HA ARG 658 HA ARG 658 7.400 7.729 0.125 118 HB2 ARG 658 HB2 ARG 658 8.739 8.367 -2.499 119 HB3 ARG 658 HB1 ARG 658 8.043 9.622 -1.485 120 HG2 ARG 658 HG2 ARG 658 10.325 9.587 -0.969 121 HG3 ARG 658 HG1 ARG 658 9.533 8.758 0.369 122 HD2 ARG 658 HD2 ARG 658 10.092 6.597 -0.688 123 HD3 ARG 658 HD1 ARG 658 10.959 7.469 -1.951 124 HE ARG 658 HE ARG 658 11.899 8.201 0.628 125 HH11 ARG 658 HH11 ARG 658 12.066 5.669 -1.777 126 HH12 ARG 658 HH12 ARG 658 13.608 5.085 -1.239 127 HH21 ARG 658 HH21 ARG 658 13.937 7.438 1.334 128 HH22 ARG 658 HH22 ARG 658 14.675 6.092 0.522 129 H MET 659 HN MET 659 5.216 7.618 0.225 130 HA MET 659 HA MET 659 3.586 7.767 -2.145 131 HB2 MET 659 HB2 MET 659 2.810 6.480 -0.222 132 HB3 MET 659 HB1 MET 659 2.846 7.924 0.783 133 HG2 MET 659 HG2 MET 659 1.133 8.933 -0.682 134 HG3 MET 659 HG1 MET 659 1.048 7.415 -1.571 135 HE1 MET 659 HE1 MET 659 -1.588 7.444 -1.143 136 HE2 MET 659 HE2 MET 659 -1.417 8.938 -0.222 137 HE3 MET 659 HE3 MET 659 -2.308 7.577 0.461 138 H GLY 660 HN GLY 660 4.987 9.975 0.083 139 HA2 GLY 660 HA2 GLY 660 3.145 12.127 -0.656 140 HA3 GLY 660 HA1 GLY 660 4.360 12.193 0.612 141 H THR 661 HN THR 661 5.181 10.912 -2.487 142 HA THR 661 HA THR 661 7.170 12.929 -2.856 143 HB THR 661 HB THR 661 7.637 10.617 -3.520 144 HG1 THR 661 HG1 THR 661 7.603 12.536 -5.629 145 HG21 THR 661 HG21 THR 661 5.528 11.027 -5.644 146 HG22 THR 661 HG22 THR 661 5.403 9.945 -4.256 147 HG23 THR 661 HG23 THR 661 6.602 9.635 -5.512 148 HA PRO 662 HA PRO 662 4.535 15.597 -5.343 149 HB2 PRO 662 HB2 PRO 662 7.014 17.051 -5.905 150 HB3 PRO 662 HB1 PRO 662 5.564 17.607 -5.067 151 HG2 PRO 662 HG2 PRO 662 7.896 17.177 -3.780 152 HG3 PRO 662 HG1 PRO 662 6.322 16.904 -3.010 153 HD2 PRO 662 HD2 PRO 662 8.219 14.913 -4.204 154 HD3 PRO 662 HD1 PRO 662 7.269 14.811 -2.705 155 H MET 663 HN MET 663 4.277 15.933 -7.558 156 HA MET 663 HA MET 663 4.390 15.444 -9.766 157 HB2 MET 663 HB2 MET 663 7.351 15.172 -9.215 158 HB3 MET 663 HB1 MET 663 6.629 15.186 -10.818 159 HG2 MET 663 HG2 MET 663 6.488 17.432 -8.822 160 HG3 MET 663 HG1 MET 663 7.581 17.353 -10.199 161 HE1 MET 663 HE1 MET 663 5.011 20.154 -11.194 162 HE2 MET 663 HE2 MET 663 6.717 19.762 -10.985 163 HE3 MET 663 HE3 MET 663 5.645 19.800 -9.587 164 H VAL 664 HN VAL 664 3.261 13.645 -9.999 165 HA VAL 664 HA VAL 664 4.010 11.103 -9.015 166 HB VAL 664 HB VAL 664 1.993 11.795 -11.158 167 HG11 VAL 664 HG11 VAL 664 0.957 9.651 -10.592 168 HG12 VAL 664 HG12 VAL 664 2.280 9.310 -9.477 169 HG13 VAL 664 HG13 VAL 664 2.596 9.438 -11.206 170 HG21 VAL 664 HG21 VAL 664 0.346 11.680 -9.344 171 HG22 VAL 664 HG22 VAL 664 1.537 12.952 -9.066 172 HG23 VAL 664 HG23 VAL 664 1.650 11.428 -8.184 173 H GLU 665 HN GLU 665 5.904 10.291 -9.734 174 HA GLU 665 HA GLU 665 6.589 10.418 -12.548 175 HB2 GLU 665 HB2 GLU 665 8.702 9.343 -11.847 176 HB3 GLU 665 HB1 GLU 665 8.364 10.818 -10.953 177 HG2 GLU 665 HG2 GLU 665 7.577 9.498 -9.061 178 HG3 GLU 665 HG1 GLU 665 7.897 8.014 -9.960 179 H ASN 666 HN ASN 666 4.933 8.313 -10.504 180 HA ASN 666 HA ASN 666 4.791 6.338 -12.635 181 HB2 ASN 666 HB2 ASN 666 6.617 5.540 -11.162 182 HB3 ASN 666 HB1 ASN 666 5.507 5.563 -9.797 183 HD21 ASN 666 HD21 ASN 666 5.746 3.379 -9.420 184 HD22 ASN 666 HD22 ASN 666 5.059 2.178 -10.460 185 H ASP 667 HN ASP 667 3.836 6.689 -9.220 186 HA ASP 667 HA ASP 667 1.047 6.909 -9.982 187 HB2 ASP 667 HB2 ASP 667 0.312 5.079 -8.498 188 HB3 ASP 667 HB1 ASP 667 1.302 4.486 -9.827 189 H SER 668 HN SER 668 -0.313 7.127 -7.890 190 HA SER 668 HA SER 668 1.034 9.248 -6.409 191 HB2 SER 668 HB2 SER 668 -1.901 8.528 -6.404 192 HB3 SER 668 HB1 SER 668 -1.171 10.039 -5.862 193 HG SER 668 HG SER 668 -1.052 9.056 -8.525 194 H GLY 669 HN GLY 669 1.386 6.312 -5.799 195 HA2 GLY 669 HA2 GLY 669 2.065 6.149 -3.313 196 HA3 GLY 669 HA1 GLY 669 0.333 6.290 -3.052 197 H TYR 670 HN TYR 670 -0.842 4.719 -4.750 198 HA TYR 670 HA TYR 670 0.454 2.104 -4.618 199 HB2 TYR 670 HB2 TYR 670 -2.331 2.790 -3.668 200 HB3 TYR 670 HB1 TYR 670 -1.767 1.147 -3.933 201 HD1 TYR 670 HD1 TYR 670 -1.818 3.950 -1.671 202 HD2 TYR 670 HD2 TYR 670 0.157 0.284 -2.546 203 HE1 TYR 670 HE1 TYR 670 -0.881 3.919 0.602 204 HE2 TYR 670 HE2 TYR 670 1.096 0.241 -0.274 205 HH TYR 670 HH TYR 670 1.652 2.130 1.517 206 H LYS 671 HN LYS 671 -1.033 0.479 -5.884 207 HA LYS 671 HA LYS 671 -2.111 1.762 -8.274 208 HB2 LYS 671 HB2 LYS 671 -0.737 0.519 -9.779 209 HB3 LYS 671 HB1 LYS 671 0.335 1.301 -8.632 210 HG2 LYS 671 HG2 LYS 671 0.595 -0.789 -7.427 211 HG3 LYS 671 HG1 LYS 671 -0.515 -1.579 -8.548 212 HD2 LYS 671 HD2 LYS 671 2.122 -0.313 -9.287 213 HD3 LYS 671 HD1 LYS 671 1.834 -2.043 -9.098 214 HE2 LYS 671 HE2 LYS 671 0.198 -1.964 -10.922 215 HE3 LYS 671 HE1 LYS 671 0.492 -0.236 -11.109 216 HZ1 LYS 671 HZ1 LYS 671 2.457 -2.412 -11.554 217 HZ2 LYS 671 HZ2 LYS 671 2.817 -0.766 -11.629 218 HZ3 LYS 671 HZ3 LYS 671 1.739 -1.443 -12.736 219 H LEU 672 HN LEU 672 -3.386 0.327 -9.584 220 HA LEU 672 HA LEU 672 -4.834 -1.573 -7.987 221 HB2 LEU 672 HB2 LEU 672 -5.135 -0.845 -10.901 222 HB3 LEU 672 HB1 LEU 672 -6.258 -1.826 -9.978 223 HG LEU 672 HG LEU 672 -5.671 1.107 -9.590 224 HD11 LEU 672 HD11 LEU 672 -7.144 0.611 -11.454 225 HD12 LEU 672 HD12 LEU 672 -8.042 1.360 -10.134 226 HD13 LEU 672 HD13 LEU 672 -8.161 -0.378 -10.407 227 HD21 LEU 672 HD21 LEU 672 -5.942 0.130 -7.414 228 HD22 LEU 672 HD22 LEU 672 -7.367 -0.762 -7.946 229 HD23 LEU 672 HD23 LEU 672 -7.419 0.996 -7.836 230 H GLY 673 HN GLY 673 -4.947 -3.756 -8.232 231 HA2 GLY 673 HA2 GLY 673 -4.356 -5.866 -9.014 232 HA3 GLY 673 HA1 GLY 673 -3.383 -5.105 -10.265 233 H GLN 674 HN GLN 674 -2.669 -3.703 -7.347 234 HA GLN 674 HA GLN 674 -0.120 -5.057 -7.216 235 HB2 GLN 674 HB2 GLN 674 -0.429 -2.562 -6.908 236 HB3 GLN 674 HB1 GLN 674 -1.170 -2.920 -5.361 237 HG2 GLN 674 HG2 GLN 674 0.980 -4.146 -4.790 238 HG3 GLN 674 HG1 GLN 674 1.660 -3.369 -6.219 239 HE21 GLN 674 HE21 GLN 674 0.068 -0.948 -5.810 240 HE22 GLN 674 HE22 GLN 674 0.831 -0.101 -4.512 241 H ARG 675 HN ARG 675 0.601 -6.323 -5.567 242 HA ARG 675 HA ARG 675 -1.446 -7.479 -3.842 243 HB2 ARG 675 HB2 ARG 675 1.375 -8.339 -4.487 244 HB3 ARG 675 HB1 ARG 675 0.356 -9.156 -3.313 245 HG2 ARG 675 HG2 ARG 675 -0.318 -8.823 -6.227 246 HG3 ARG 675 HG1 ARG 675 0.406 -10.265 -5.515 247 HD2 ARG 675 HD2 ARG 675 -2.272 -9.086 -4.776 248 HD3 ARG 675 HD1 ARG 675 -2.017 -10.500 -5.796 249 HE ARG 675 HE ARG 675 -0.730 -10.974 -3.371 250 HH11 ARG 675 HH11 ARG 675 -3.992 -10.469 -4.540 251 HH12 ARG 675 HH12 ARG 675 -4.720 -11.496 -3.340 252 HH21 ARG 675 HH21 ARG 675 -1.675 -12.299 -1.762 253 HH22 ARG 675 HH22 ARG 675 -3.393 -12.539 -1.764 254 H VAL 676 HN VAL 676 -1.661 -6.828 -1.839 255 HA VAL 676 HA VAL 676 0.616 -5.466 -0.550 256 HB VAL 676 HB VAL 676 -0.995 -4.157 0.730 257 HG11 VAL 676 HG11 VAL 676 -1.789 -2.705 -1.046 258 HG12 VAL 676 HG12 VAL 676 -1.511 -3.981 -2.230 259 HG13 VAL 676 HG13 VAL 676 -0.147 -3.256 -1.377 260 HG21 VAL 676 HG21 VAL 676 -3.383 -4.180 0.138 261 HG22 VAL 676 HG22 VAL 676 -2.837 -5.722 0.805 262 HG23 VAL 676 HG23 VAL 676 -3.087 -5.550 -0.936 263 H ARG 677 HN ARG 677 0.844 -5.737 1.699 264 HA ARG 677 HA ARG 677 -0.656 -7.977 2.866 265 HB2 ARG 677 HB2 ARG 677 1.638 -8.648 2.092 266 HB3 ARG 677 HB1 ARG 677 2.303 -7.481 3.227 267 HG2 ARG 677 HG2 ARG 677 1.035 -8.742 5.030 268 HG3 ARG 677 HG1 ARG 677 0.794 -10.004 3.816 269 HD2 ARG 677 HD2 ARG 677 2.745 -10.495 5.185 270 HD3 ARG 677 HD1 ARG 677 3.221 -10.169 3.518 271 HE ARG 677 HE ARG 677 3.311 -7.851 5.220 272 HH11 ARG 677 HH11 ARG 677 5.083 -10.683 4.172 273 HH12 ARG 677 HH12 ARG 677 6.638 -9.964 4.447 274 HH21 ARG 677 HH21 ARG 677 5.347 -6.913 5.603 275 HH22 ARG 677 HH22 ARG 677 6.791 -7.816 5.270 276 H HIS 678 HN HIS 678 -1.332 -7.656 4.907 277 HA HIS 678 HA HIS 678 -0.026 -5.595 6.529 278 HB2 HIS 678 HB2 HIS 678 -2.547 -5.194 5.360 279 HB3 HIS 678 HB1 HIS 678 -2.866 -5.574 7.051 280 HD1 HIS 678 HD1 HIS 678 -3.428 -3.247 7.895 281 HD2 HIS 678 HD2 HIS 678 0.181 -3.398 5.836 282 HE1 HIS 678 HE1 HIS 678 -2.370 -0.991 8.214 283 HE2 HIS 678 HE2 HIS 678 -0.188 -1.101 6.963 284 H ALA 679 HN ALA 679 -0.432 -5.855 8.850 285 HA ALA 679 HA ALA 679 0.072 -8.466 9.635 286 HB1 ALA 679 HB1 ALA 679 -1.039 -6.277 11.383 287 HB2 ALA 679 HB2 ALA 679 0.657 -6.436 10.918 288 HB3 ALA 679 HB3 ALA 679 -0.108 -7.684 11.902 289 H LYS 680 HN LYS 680 -2.956 -6.650 10.019 290 HA LYS 680 HA LYS 680 -4.206 -8.997 11.210 291 HB2 LYS 680 HB2 LYS 680 -5.184 -6.154 10.920 292 HB3 LYS 680 HB1 LYS 680 -6.012 -7.429 11.805 293 HG2 LYS 680 HG2 LYS 680 -4.583 -7.341 13.557 294 HG3 LYS 680 HG1 LYS 680 -3.199 -6.927 12.551 295 HD2 LYS 680 HD2 LYS 680 -3.576 -5.017 13.840 296 HD3 LYS 680 HD1 LYS 680 -4.297 -4.640 12.281 297 HE2 LYS 680 HE2 LYS 680 -5.827 -5.638 14.685 298 HE3 LYS 680 HE1 LYS 680 -5.677 -3.943 14.234 299 HZ1 LYS 680 HZ1 LYS 680 -7.024 -6.093 12.696 300 HZ2 LYS 680 HZ2 LYS 680 -6.735 -4.543 12.084 301 HZ3 LYS 680 HZ3 LYS 680 -7.742 -4.746 13.424 302 H PHE 681 HN PHE 681 -4.348 -7.057 8.318 303 HA PHE 681 HA PHE 681 -6.833 -8.277 7.455 304 HB2 PHE 681 HB2 PHE 681 -5.011 -6.322 6.044 305 HB3 PHE 681 HB1 PHE 681 -6.577 -6.857 5.449 306 HD1 PHE 681 HD1 PHE 681 -5.431 -4.022 6.237 307 HD2 PHE 681 HD2 PHE 681 -8.035 -6.817 8.117 308 HE1 PHE 681 HE1 PHE 681 -6.510 -2.188 7.465 309 HE2 PHE 681 HE2 PHE 681 -9.120 -4.981 9.344 310 HZ PHE 681 HZ PHE 681 -8.359 -2.664 9.019 311 H GLY 682 HN GLY 682 -3.543 -9.000 7.273 312 HA2 GLY 682 HA2 GLY 682 -2.644 -10.977 6.411 313 HA3 GLY 682 HA1 GLY 682 -4.139 -11.244 5.523 314 H GLU 683 HN GLU 683 -4.037 -10.979 3.386 315 HA GLU 683 HA GLU 683 -2.388 -8.882 2.265 316 HB2 GLU 683 HB2 GLU 683 -1.192 -10.341 0.716 317 HB3 GLU 683 HB1 GLU 683 -0.828 -10.789 2.377 318 HG2 GLU 683 HG2 GLU 683 -2.382 -12.652 2.227 319 HG3 GLU 683 HG1 GLU 683 -2.783 -12.194 0.574 320 H GLY 684 HN GLY 684 -3.024 -8.310 0.117 321 HA2 GLY 684 HA2 GLY 684 -5.147 -9.813 -1.144 322 HA3 GLY 684 HA1 GLY 684 -5.683 -8.310 -0.415 323 H THR 685 HN THR 685 -6.209 -8.323 -2.878 324 HA THR 685 HA THR 685 -4.025 -6.957 -4.298 325 HB THR 685 HB THR 685 -6.476 -8.359 -5.394 326 HG1 THR 685 HG1 THR 685 -4.124 -9.190 -6.406 327 HG21 THR 685 HG21 THR 685 -5.547 -7.855 -7.622 328 HG22 THR 685 HG22 THR 685 -4.295 -6.871 -6.862 329 HG23 THR 685 HG23 THR 685 -5.987 -6.392 -6.739 330 H ILE 686 HN ILE 686 -4.258 -4.840 -4.676 331 HA ILE 686 HA ILE 686 -6.599 -3.428 -3.838 332 HB ILE 686 HB ILE 686 -4.385 -2.369 -5.602 333 HG12 ILE 686 HG12 ILE 686 -4.499 -2.445 -2.574 334 HG13 ILE 686 HG11 ILE 686 -3.427 -3.417 -3.575 335 HG21 ILE 686 HG21 ILE 686 -4.993 -0.210 -4.616 336 HG22 ILE 686 HG22 ILE 686 -6.265 -0.997 -3.683 337 HG23 ILE 686 HG23 ILE 686 -6.364 -0.952 -5.442 338 HD11 ILE 686 HD11 ILE 686 -3.416 -0.412 -3.372 339 HD12 ILE 686 HD12 ILE 686 -2.342 -1.379 -4.381 340 HD13 ILE 686 HD13 ILE 686 -2.259 -1.512 -2.624 341 H VAL 687 HN VAL 687 -8.430 -3.776 -4.978 342 HA VAL 687 HA VAL 687 -8.254 -4.180 -7.862 343 HB VAL 687 HB VAL 687 -10.637 -4.835 -7.716 344 HG11 VAL 687 HG11 VAL 687 -10.276 -6.916 -6.450 345 HG12 VAL 687 HG12 VAL 687 -8.794 -6.234 -5.781 346 HG13 VAL 687 HG13 VAL 687 -8.922 -6.534 -7.513 347 HG21 VAL 687 HG21 VAL 687 -11.664 -5.155 -5.503 348 HG22 VAL 687 HG22 VAL 687 -11.323 -3.456 -5.834 349 HG23 VAL 687 HG23 VAL 687 -10.272 -4.375 -4.755 350 H ASN 688 HN ASN 688 -9.322 -1.855 -5.541 351 HA ASN 688 HA ASN 688 -9.822 0.025 -7.715 352 HB2 ASN 688 HB2 ASN 688 -12.041 -0.979 -7.060 353 HB3 ASN 688 HB1 ASN 688 -11.797 -0.312 -5.454 354 HD21 ASN 688 HD21 ASN 688 -12.358 0.468 -8.809 355 HD22 ASN 688 HD22 ASN 688 -12.915 2.082 -8.532 356 H MET 689 HN MET 689 -9.893 2.256 -6.912 357 HA MET 689 HA MET 689 -9.012 2.746 -4.222 358 HB2 MET 689 HB2 MET 689 -6.970 3.922 -4.779 359 HB3 MET 689 HB1 MET 689 -6.864 2.270 -5.362 360 HG2 MET 689 HG2 MET 689 -7.351 3.020 -7.620 361 HG3 MET 689 HG1 MET 689 -7.515 4.678 -7.046 362 HE1 MET 689 HE1 MET 689 -5.524 6.100 -6.049 363 HE2 MET 689 HE2 MET 689 -3.865 5.519 -5.910 364 HE3 MET 689 HE3 MET 689 -5.126 4.835 -4.886 365 H GLU 690 HN GLU 690 -9.358 4.842 -3.576 366 HA GLU 690 HA GLU 690 -11.038 6.373 -5.448 367 HB2 GLU 690 HB2 GLU 690 -11.063 6.377 -2.425 368 HB3 GLU 690 HB1 GLU 690 -12.158 7.270 -3.470 369 HG2 GLU 690 HG2 GLU 690 -13.090 5.212 -4.318 370 HG3 GLU 690 HG1 GLU 690 -11.937 4.270 -3.374 371 H GLY 691 HN GLY 691 -10.246 8.234 -6.139 372 HA2 GLY 691 HA2 GLY 691 -9.122 10.237 -6.188 373 HA3 GLY 691 HA1 GLY 691 -8.991 10.129 -4.439 374 H SER 692 HN SER 692 -6.882 11.172 -5.047 375 HA SER 692 HA SER 692 -4.833 9.138 -4.943 376 HB2 SER 692 HB2 SER 692 -4.847 11.195 -7.171 377 HB3 SER 692 HB1 SER 692 -3.508 10.110 -6.799 378 HG SER 692 HG SER 692 -5.787 8.697 -7.052 379 H GLY 693 HN GLY 693 -3.243 9.772 -3.596 380 HA2 GLY 693 HA2 GLY 693 -1.679 11.475 -2.855 381 HA3 GLY 693 HA1 GLY 693 -2.964 12.658 -3.056 382 H GLU 694 HN GLU 694 -3.044 13.437 -1.001 383 HA GLU 694 HA GLU 694 -2.881 11.832 1.325 384 HB2 GLU 694 HB2 GLU 694 -3.975 14.625 0.941 385 HB3 GLU 694 HB1 GLU 694 -3.687 13.875 2.503 386 HG2 GLU 694 HG2 GLU 694 -1.316 13.733 2.033 387 HG3 GLU 694 HG1 GLU 694 -1.575 14.404 0.425 388 H HIS 695 HN HIS 695 -5.565 12.954 -0.628 389 HA HIS 695 HA HIS 695 -7.502 11.874 1.282 390 HB2 HIS 695 HB2 HIS 695 -7.875 13.473 -1.257 391 HB3 HIS 695 HB1 HIS 695 -9.200 12.880 -0.261 392 HD1 HIS 695 HD1 HIS 695 -6.958 15.707 -0.671 393 HD2 HIS 695 HD2 HIS 695 -9.177 14.047 2.430 394 HE1 HIS 695 HE1 HIS 695 -7.147 17.513 1.067 395 HE2 HIS 695 HE2 HIS 695 -8.573 16.522 2.890 396 H SER 696 HN SER 696 -5.752 10.093 -0.193 397 HA SER 696 HA SER 696 -7.556 8.847 -2.125 398 HB2 SER 696 HB2 SER 696 -5.156 9.268 -2.730 399 HB3 SER 696 HB1 SER 696 -4.693 8.109 -1.487 400 HG SER 696 HG SER 696 -6.511 7.415 -3.536 401 H ARG 697 HN ARG 697 -8.475 6.918 -1.830 402 HA ARG 697 HA ARG 697 -7.771 5.372 0.579 403 HB2 ARG 697 HB2 ARG 697 -10.505 5.513 -0.710 404 HB3 ARG 697 HB1 ARG 697 -10.080 4.660 0.766 405 HG2 ARG 697 HG2 ARG 697 -9.632 6.775 1.879 406 HG3 ARG 697 HG1 ARG 697 -10.014 7.649 0.393 407 HD2 ARG 697 HD2 ARG 697 -12.284 6.610 0.463 408 HD3 ARG 697 HD1 ARG 697 -11.874 5.956 2.048 409 HE ARG 697 HE ARG 697 -11.386 8.606 2.316 410 HH11 ARG 697 HH11 ARG 697 -14.148 6.750 1.242 411 HH12 ARG 697 HH12 ARG 697 -15.306 7.929 1.763 412 HH21 ARG 697 HH21 ARG 697 -12.906 10.165 3.008 413 HH22 ARG 697 HH22 ARG 697 -14.600 9.882 2.765 414 H LEU 698 HN LEU 698 -8.131 3.044 0.324 415 HA LEU 698 HA LEU 698 -7.957 2.182 -2.489 416 HB2 LEU 698 HB2 LEU 698 -6.624 0.837 -0.145 417 HB3 LEU 698 HB1 LEU 698 -6.426 0.456 -1.842 418 HG LEU 698 HG LEU 698 -5.528 3.034 -0.569 419 HD11 LEU 698 HD11 LEU 698 -4.269 1.176 0.335 420 HD12 LEU 698 HD12 LEU 698 -3.265 2.107 -0.778 421 HD13 LEU 698 HD13 LEU 698 -3.957 0.568 -1.291 422 HD21 LEU 698 HD21 LEU 698 -4.268 3.320 -2.649 423 HD22 LEU 698 HD22 LEU 698 -6.004 3.237 -2.949 424 HD23 LEU 698 HD23 LEU 698 -4.984 1.838 -3.285 425 H GLN 699 HN GLN 699 -9.012 0.263 -3.023 426 HA GLN 699 HA GLN 699 -10.663 -0.932 -0.884 427 HB2 GLN 699 HB2 GLN 699 -11.788 0.297 -2.885 428 HB3 GLN 699 HB1 GLN 699 -11.295 -1.104 -3.822 429 HG2 GLN 699 HG2 GLN 699 -12.595 -2.557 -2.411 430 HG3 GLN 699 HG1 GLN 699 -13.024 -1.203 -1.367 431 HE21 GLN 699 HE21 GLN 699 -13.570 -2.762 -4.414 432 HE22 GLN 699 HE22 GLN 699 -14.967 -1.849 -4.863 433 H VAL 700 HN VAL 700 -9.381 -2.562 -0.256 434 HA VAL 700 HA VAL 700 -7.930 -4.107 -2.287 435 HB VAL 700 HB VAL 700 -7.525 -4.115 0.708 436 HG11 VAL 700 HG11 VAL 700 -6.738 -6.129 -0.434 437 HG12 VAL 700 HG12 VAL 700 -5.392 -5.174 0.187 438 HG13 VAL 700 HG13 VAL 700 -5.780 -5.135 -1.532 439 HG21 VAL 700 HG21 VAL 700 -5.581 -2.688 0.306 440 HG22 VAL 700 HG22 VAL 700 -7.072 -1.896 -0.206 441 HG23 VAL 700 HG23 VAL 700 -5.994 -2.604 -1.406 442 H ALA 701 HN ALA 701 -8.339 -6.188 -2.653 443 HA ALA 701 HA ALA 701 -10.471 -7.469 -1.118 444 HB1 ALA 701 HB1 ALA 701 -9.153 -8.339 -3.689 445 HB2 ALA 701 HB2 ALA 701 -10.638 -7.395 -3.578 446 HB3 ALA 701 HB3 ALA 701 -10.593 -9.047 -2.955 447 H PHE 702 HN PHE 702 -9.477 -8.171 0.746 448 HA PHE 702 HA PHE 702 -6.910 -9.479 0.682 449 HB2 PHE 702 HB2 PHE 702 -8.910 -9.057 2.909 450 HB3 PHE 702 HB1 PHE 702 -7.339 -9.819 3.130 451 HD1 PHE 702 HD1 PHE 702 -5.270 -8.460 2.496 452 HD2 PHE 702 HD2 PHE 702 -9.128 -6.749 3.023 453 HE1 PHE 702 HE1 PHE 702 -4.238 -6.251 2.819 454 HE2 PHE 702 HE2 PHE 702 -8.105 -4.538 3.351 455 HZ PHE 702 HZ PHE 702 -5.658 -4.282 3.246 456 H GLN 703 HN GLN 703 -6.460 -11.602 0.902 457 HA GLN 703 HA GLN 703 -8.384 -13.330 -0.282 458 HB2 GLN 703 HB2 GLN 703 -5.719 -14.072 0.922 459 HB3 GLN 703 HB1 GLN 703 -6.640 -15.001 -0.251 460 HG2 GLN 703 HG2 GLN 703 -5.340 -12.327 -0.700 461 HG3 GLN 703 HG1 GLN 703 -4.809 -13.882 -1.336 462 HE21 GLN 703 HE21 GLN 703 -7.515 -14.781 -1.935 463 HE22 GLN 703 HE22 GLN 703 -8.028 -13.884 -3.323 464 H GLY 704 HN GLY 704 -7.584 -12.656 2.993 465 HA2 GLY 704 HA2 GLY 704 -8.728 -15.229 3.852 466 HA3 GLY 704 HA1 GLY 704 -7.671 -14.222 4.825 467 H GLN 705 HN GLN 705 -9.867 -12.239 3.292 468 HA GLN 705 HA GLN 705 -11.925 -12.520 5.325 469 HB2 GLN 705 HB2 GLN 705 -10.030 -10.202 5.185 470 HB3 GLN 705 HB1 GLN 705 -11.677 -9.956 5.752 471 HG2 GLN 705 HG2 GLN 705 -11.362 -11.469 7.563 472 HG3 GLN 705 HG1 GLN 705 -9.807 -11.999 6.925 473 HE21 GLN 705 HE21 GLN 705 -8.004 -10.757 7.252 474 HE22 GLN 705 HE22 GLN 705 -7.981 -9.399 8.326 475 H GLY 706 HN GLY 706 -10.774 -10.313 2.757 476 HA2 GLY 706 HA2 GLY 706 -12.389 -10.577 0.759 477 HA3 GLY 706 HA1 GLY 706 -13.571 -10.000 1.923 478 H ILE 707 HN ILE 707 -13.952 -8.245 0.485 479 HA ILE 707 HA ILE 707 -11.828 -6.417 -0.157 480 HB ILE 707 HB ILE 707 -14.811 -6.123 -0.538 481 HG12 ILE 707 HG12 ILE 707 -12.652 -7.034 -2.455 482 HG13 ILE 707 HG11 ILE 707 -13.883 -8.063 -1.730 483 HG21 ILE 707 HG21 ILE 707 -13.673 -3.976 -0.565 484 HG22 ILE 707 HG22 ILE 707 -14.214 -4.408 -2.187 485 HG23 ILE 707 HG23 ILE 707 -12.515 -4.587 -1.746 486 HD11 ILE 707 HD11 ILE 707 -14.382 -5.782 -3.625 487 HD12 ILE 707 HD12 ILE 707 -15.614 -6.820 -2.908 488 HD13 ILE 707 HD13 ILE 707 -14.430 -7.497 -4.024 489 H LYS 708 HN LYS 708 -11.297 -4.571 0.823 490 HA LYS 708 HA LYS 708 -13.020 -3.514 2.951 491 HB2 LYS 708 HB2 LYS 708 -10.102 -4.221 3.173 492 HB3 LYS 708 HB1 LYS 708 -10.888 -3.099 4.271 493 HG2 LYS 708 HG2 LYS 708 -12.375 -4.833 5.043 494 HG3 LYS 708 HG1 LYS 708 -11.724 -5.962 3.852 495 HD2 LYS 708 HD2 LYS 708 -9.486 -5.685 4.937 496 HD3 LYS 708 HD1 LYS 708 -10.279 -4.742 6.201 497 HE2 LYS 708 HE2 LYS 708 -10.945 -7.589 5.466 498 HE3 LYS 708 HE1 LYS 708 -9.941 -7.104 6.832 499 HZ1 LYS 708 HZ1 LYS 708 -12.817 -6.468 6.442 500 HZ2 LYS 708 HZ2 LYS 708 -11.869 -5.874 7.710 501 HZ3 LYS 708 HZ3 LYS 708 -12.164 -7.532 7.581 502 H TRP 709 HN TRP 709 -12.558 -1.331 3.532 503 HA TRP 709 HA TRP 709 -11.323 0.238 1.393 504 HB2 TRP 709 HB2 TRP 709 -12.462 2.164 2.455 505 HB3 TRP 709 HB1 TRP 709 -13.602 0.885 2.043 506 HD1 TRP 709 HD1 TRP 709 -14.419 -0.695 4.171 507 HE1 TRP 709 HE1 TRP 709 -14.783 -0.059 6.634 508 HE3 TRP 709 HE3 TRP 709 -11.752 3.668 4.277 509 HZ2 TRP 709 HZ2 TRP 709 -14.051 2.034 8.389 510 HZ3 TRP 709 HZ3 TRP 709 -11.637 4.927 6.389 511 HH2 TRP 709 HH2 TRP 709 -12.765 4.124 8.400 512 H LEU 710 HN LEU 710 -9.400 1.222 1.698 513 HA LEU 710 HA LEU 710 -8.385 1.451 4.459 514 HB2 LEU 710 HB2 LEU 710 -6.861 0.586 1.998 515 HB3 LEU 710 HB1 LEU 710 -6.087 1.057 3.493 516 HG LEU 710 HG LEU 710 -6.073 -1.300 3.453 517 HD11 LEU 710 HD11 LEU 710 -7.426 -1.930 5.371 518 HD12 LEU 710 HD12 LEU 710 -8.382 -0.459 5.195 519 HD13 LEU 710 HD13 LEU 710 -6.672 -0.355 5.613 520 HD21 LEU 710 HD21 LEU 710 -9.011 -1.211 2.801 521 HD22 LEU 710 HD22 LEU 710 -8.075 -2.667 3.126 522 HD23 LEU 710 HD23 LEU 710 -7.707 -1.683 1.712 523 H VAL 711 HN VAL 711 -7.878 3.507 4.984 524 HA VAL 711 HA VAL 711 -7.757 5.561 2.990 525 HB VAL 711 HB VAL 711 -6.887 5.715 5.885 526 HG11 VAL 711 HG11 VAL 711 -7.209 8.137 5.598 527 HG12 VAL 711 HG12 VAL 711 -7.570 7.876 3.890 528 HG13 VAL 711 HG13 VAL 711 -5.965 7.505 4.518 529 HG21 VAL 711 HG21 VAL 711 -9.091 6.713 6.293 530 HG22 VAL 711 HG22 VAL 711 -9.221 5.052 5.717 531 HG23 VAL 711 HG23 VAL 711 -9.540 6.393 4.617 532 H ALA 712 HN ALA 712 -6.116 5.592 1.612 533 HA ALA 712 HA ALA 712 -3.775 4.113 1.895 534 HB1 ALA 712 HB1 ALA 712 -3.026 5.187 -0.138 535 HB2 ALA 712 HB2 ALA 712 -4.229 6.459 0.061 536 HB3 ALA 712 HB3 ALA 712 -4.742 4.805 -0.259 537 H ALA 713 HN ALA 713 -4.466 7.412 2.767 538 HA ALA 713 HA ALA 713 -1.884 8.452 2.904 539 HB1 ALA 713 HB1 ALA 713 -3.911 9.812 3.039 540 HB2 ALA 713 HB2 ALA 713 -2.819 10.138 4.385 541 HB3 ALA 713 HB3 ALA 713 -4.252 9.143 4.635 542 H TYR 714 HN TYR 714 -3.626 6.406 5.172 543 HA TYR 714 HA TYR 714 -1.229 6.391 6.887 544 HB2 TYR 714 HB2 TYR 714 -4.115 6.364 7.797 545 HB3 TYR 714 HB1 TYR 714 -2.728 6.109 8.854 546 HD1 TYR 714 HD1 TYR 714 -1.060 7.982 9.128 547 HD2 TYR 714 HD2 TYR 714 -4.837 8.542 7.251 548 HE1 TYR 714 HE1 TYR 714 -0.858 10.408 9.457 549 HE2 TYR 714 HE2 TYR 714 -4.644 10.972 7.580 550 HH TYR 714 HH TYR 714 -3.494 12.559 8.949 551 H ALA 715 HN ALA 715 -2.384 4.654 4.707 552 HA ALA 715 HA ALA 715 -3.230 2.242 5.999 553 HB1 ALA 715 HB1 ALA 715 -2.378 2.665 3.138 554 HB2 ALA 715 HB2 ALA 715 -4.013 2.897 3.754 555 HB3 ALA 715 HB3 ALA 715 -3.283 1.291 3.776 556 H ARG 716 HN ARG 716 -0.329 3.181 4.168 557 HA ARG 716 HA ARG 716 1.693 2.198 3.911 558 HB2 ARG 716 HB2 ARG 716 1.993 3.217 6.105 559 HB3 ARG 716 HB1 ARG 716 1.333 1.789 6.885 560 HG2 ARG 716 HG2 ARG 716 3.818 1.982 6.978 561 HG3 ARG 716 HG1 ARG 716 3.221 0.477 6.279 562 HD2 ARG 716 HD2 ARG 716 3.620 1.366 4.032 563 HD3 ARG 716 HD1 ARG 716 4.210 2.874 4.730 564 HE ARG 716 HE ARG 716 6.104 1.673 5.594 565 HH11 ARG 716 HH11 ARG 716 4.163 -0.123 3.271 566 HH12 ARG 716 HH12 ARG 716 5.433 -1.251 2.911 567 HH21 ARG 716 HH21 ARG 716 7.753 0.185 5.099 568 HH22 ARG 716 HH22 ARG 716 7.457 -1.084 3.950 569 H LEU 717 HN LEU 717 0.304 0.571 2.728 570 HA LEU 717 HA LEU 717 0.281 -2.085 3.867 571 HB2 LEU 717 HB2 LEU 717 -0.496 -0.869 1.257 572 HB3 LEU 717 HB1 LEU 717 -0.138 -2.580 1.289 573 HG LEU 717 HG LEU 717 -2.537 -2.171 1.470 574 HD11 LEU 717 HD11 LEU 717 -3.008 -3.520 3.426 575 HD12 LEU 717 HD12 LEU 717 -1.396 -3.196 4.062 576 HD13 LEU 717 HD13 LEU 717 -1.587 -4.137 2.584 577 HD21 LEU 717 HD21 LEU 717 -3.483 -1.105 3.451 578 HD22 LEU 717 HD22 LEU 717 -2.489 0.010 2.513 579 HD23 LEU 717 HD23 LEU 717 -1.857 -0.695 4.002 580 H GLU 718 HN GLU 718 1.746 -3.694 3.488 581 HA GLU 718 HA GLU 718 4.261 -2.851 2.271 582 HB2 GLU 718 HB2 GLU 718 4.095 -4.039 4.539 583 HB3 GLU 718 HB1 GLU 718 3.709 -5.490 3.624 584 HG2 GLU 718 HG2 GLU 718 6.048 -5.479 4.159 585 HG3 GLU 718 HG1 GLU 718 5.845 -5.267 2.419 586 H SER 719 HN SER 719 4.665 -3.339 0.207 587 HA SER 719 HA SER 719 2.866 -4.941 -1.300 588 HB2 SER 719 HB2 SER 719 4.220 -2.990 -2.183 589 HB3 SER 719 HB1 SER 719 5.626 -4.053 -2.158 590 HG SER 719 HG SER 719 3.222 -4.457 -3.615 591 H VAL 720 HN VAL 720 2.876 -7.055 -1.620 592 HA VAL 720 HA VAL 720 5.201 -8.559 -0.660 593 HB VAL 720 HB VAL 720 3.276 -9.058 0.676 594 HG11 VAL 720 HG11 VAL 720 1.817 -9.771 -1.862 595 HG12 VAL 720 HG12 VAL 720 1.508 -8.366 -0.843 596 HG13 VAL 720 HG13 VAL 720 1.205 -9.989 -0.222 597 HG21 VAL 720 HG21 VAL 720 3.819 -11.308 -1.251 598 HG22 VAL 720 HG22 VAL 720 3.054 -11.479 0.327 599 HG23 VAL 720 HG23 VAL 720 4.727 -10.933 0.213 Start of MODEL 6 1 H1 ARG 645 HT1 ARG 645 26.954 4.042 -6.098 2 H2 ARG 645 HT2 ARG 645 26.127 2.613 -5.745 3 H3 ARG 645 HT3 ARG 645 27.269 2.642 -6.993 4 HA ARG 645 HA ARG 645 28.135 1.553 -5.035 5 HB2 ARG 645 HB2 ARG 645 30.198 2.908 -4.790 6 HB3 ARG 645 HB1 ARG 645 29.729 2.677 -6.467 7 HG2 ARG 645 HG2 ARG 645 28.777 4.929 -6.508 8 HG3 ARG 645 HG1 ARG 645 29.258 5.158 -4.825 9 HD2 ARG 645 HD2 ARG 645 31.580 4.969 -5.406 10 HD3 ARG 645 HD1 ARG 645 31.175 4.531 -7.064 11 HE ARG 645 HE ARG 645 30.030 7.017 -6.532 12 HH11 ARG 645 HH11 ARG 645 33.221 5.609 -6.827 13 HH12 ARG 645 HH12 ARG 645 33.951 7.068 -7.411 14 HH21 ARG 645 HH21 ARG 645 30.989 8.941 -7.311 15 HH22 ARG 645 HH22 ARG 645 32.682 8.959 -7.689 16 H LEU 646 HN LEU 646 29.443 2.387 -2.955 17 HA LEU 646 HA LEU 646 29.280 2.972 -0.777 18 HB2 LEU 646 HB2 LEU 646 29.089 5.269 -1.738 19 HB3 LEU 646 HB1 LEU 646 27.347 5.094 -1.723 20 HG LEU 646 HG LEU 646 27.435 4.847 0.751 21 HD11 LEU 646 HD11 LEU 646 29.689 4.030 1.011 22 HD12 LEU 646 HD12 LEU 646 29.500 5.539 1.903 23 HD13 LEU 646 HD13 LEU 646 30.341 5.531 0.354 24 HD21 LEU 646 HD21 LEU 646 28.655 7.364 -0.366 25 HD22 LEU 646 HD22 LEU 646 27.870 7.208 1.205 26 HD23 LEU 646 HD23 LEU 646 26.933 6.993 -0.273 27 H ARG 647 HN ARG 647 27.964 0.817 -1.363 28 HA ARG 647 HA ARG 647 25.202 1.022 -0.430 29 HB2 ARG 647 HB2 ARG 647 25.812 -0.347 -2.454 30 HB3 ARG 647 HB1 ARG 647 26.708 -1.421 -1.391 31 HG2 ARG 647 HG2 ARG 647 24.572 -2.390 -1.864 32 HG3 ARG 647 HG1 ARG 647 24.604 -1.892 -0.171 33 HD2 ARG 647 HD2 ARG 647 23.363 0.118 -0.717 34 HD3 ARG 647 HD1 ARG 647 23.387 -0.307 -2.426 35 HE ARG 647 HE ARG 647 22.211 -2.429 -1.086 36 HH11 ARG 647 HH11 ARG 647 21.565 0.967 -1.607 37 HH12 ARG 647 HH12 ARG 647 19.840 0.783 -1.539 38 HH21 ARG 647 HH21 ARG 647 19.941 -2.681 -0.999 39 HH22 ARG 647 HH22 ARG 647 18.918 -1.294 -1.200 40 H ALA 648 HN ALA 648 25.940 1.641 1.728 41 HA ALA 648 HA ALA 648 26.429 1.263 3.911 42 HB1 ALA 648 HB1 ALA 648 25.621 -1.570 3.262 43 HB2 ALA 648 HB2 ALA 648 24.518 -0.261 3.685 44 HB3 ALA 648 HB3 ALA 648 25.691 -0.842 4.867 45 H THR 649 HN THR 649 28.670 1.702 3.443 46 HA THR 649 HA THR 649 30.459 -0.510 2.938 47 HB THR 649 HB THR 649 30.876 1.633 1.843 48 HG1 THR 649 HG1 THR 649 32.848 0.852 3.746 49 HG21 THR 649 HG21 THR 649 31.710 3.562 3.154 50 HG22 THR 649 HG22 THR 649 31.288 2.703 4.635 51 HG23 THR 649 HG23 THR 649 30.027 3.173 3.497 52 H VAL 650 HN VAL 650 29.048 -0.784 5.339 53 HA VAL 650 HA VAL 650 29.259 -1.215 7.556 54 HB VAL 650 HB VAL 650 32.231 -1.406 7.043 55 HG11 VAL 650 HG11 VAL 650 32.158 -3.084 8.824 56 HG12 VAL 650 HG12 VAL 650 30.425 -2.812 9.008 57 HG13 VAL 650 HG13 VAL 650 31.566 -1.521 9.388 58 HG21 VAL 650 HG21 VAL 650 31.063 -2.685 5.330 59 HG22 VAL 650 HG22 VAL 650 30.111 -3.501 6.569 60 HG23 VAL 650 HG23 VAL 650 31.852 -3.764 6.480 61 H SER 651 HN SER 651 28.758 1.247 7.389 62 HA SER 651 HA SER 651 30.281 2.552 9.433 63 HB2 SER 651 HB2 SER 651 31.656 3.029 7.404 64 HB3 SER 651 HB1 SER 651 30.251 3.799 6.670 65 HG SER 651 HG SER 651 31.065 4.671 9.202 66 H ARG 652 HN ARG 652 28.046 3.210 6.739 67 HA ARG 652 HA ARG 652 26.092 4.225 8.658 68 HB2 ARG 652 HB2 ARG 652 27.300 6.205 7.946 69 HB3 ARG 652 HB1 ARG 652 27.109 5.757 6.260 70 HG2 ARG 652 HG2 ARG 652 24.698 6.082 6.437 71 HG3 ARG 652 HG1 ARG 652 24.883 6.519 8.138 72 HD2 ARG 652 HD2 ARG 652 26.206 7.975 5.856 73 HD3 ARG 652 HD1 ARG 652 24.682 8.465 6.589 74 HE ARG 652 HE ARG 652 26.208 8.425 8.733 75 HH11 ARG 652 HH11 ARG 652 26.943 9.663 5.548 76 HH12 ARG 652 HH12 ARG 652 28.036 10.874 6.130 77 HH21 ARG 652 HH21 ARG 652 27.628 10.012 9.510 78 HH22 ARG 652 HH22 ARG 652 28.429 11.073 8.396 79 HA PRO 653 HA PRO 653 24.014 1.695 5.464 80 HB2 PRO 653 HB2 PRO 653 22.651 0.096 7.124 81 HB3 PRO 653 HB1 PRO 653 24.361 -0.183 6.783 82 HG2 PRO 653 HG2 PRO 653 23.080 1.030 9.186 83 HG3 PRO 653 HG1 PRO 653 24.500 -0.024 9.082 84 HD2 PRO 653 HD2 PRO 653 24.547 2.754 9.345 85 HD3 PRO 653 HD1 PRO 653 25.905 1.743 8.816 86 H VAL 654 HN VAL 654 23.190 4.132 5.614 87 HA VAL 654 HA VAL 654 21.494 5.630 5.714 88 HB VAL 654 HB VAL 654 19.688 3.206 5.889 89 HG11 VAL 654 HG11 VAL 654 19.119 6.050 5.056 90 HG12 VAL 654 HG12 VAL 654 18.539 5.252 6.517 91 HG13 VAL 654 HG13 VAL 654 17.985 4.705 4.935 92 HG21 VAL 654 HG21 VAL 654 21.141 3.107 3.932 93 HG22 VAL 654 HG22 VAL 654 20.651 4.740 3.477 94 HG23 VAL 654 HG23 VAL 654 19.471 3.430 3.463 95 H SER 655 HN SER 655 22.336 6.283 7.755 96 HA SER 655 HA SER 655 21.167 5.240 10.175 97 HB2 SER 655 HB2 SER 655 22.960 7.646 9.761 98 HB3 SER 655 HB1 SER 655 22.593 6.872 11.303 99 HG SER 655 HG SER 655 23.540 4.932 10.359 100 H HIS 656 HN HIS 656 20.527 7.734 7.910 101 HA HIS 656 HA HIS 656 18.854 9.315 9.630 102 HB2 HIS 656 HB2 HIS 656 19.274 9.254 6.643 103 HB3 HIS 656 HB1 HIS 656 18.075 10.296 7.398 104 HD1 HIS 656 HD1 HIS 656 20.848 11.042 5.830 105 HD2 HIS 656 HD2 HIS 656 20.011 11.351 9.889 106 HE1 HIS 656 HE1 HIS 656 22.419 12.798 6.713 107 HE2 HIS 656 HE2 HIS 656 21.994 12.855 9.198 108 H GLN 657 HN GLN 657 17.010 8.540 10.387 109 HA GLN 657 HA GLN 657 15.319 6.953 8.571 110 HB2 GLN 657 HB2 GLN 657 14.387 5.884 10.642 111 HB3 GLN 657 HB1 GLN 657 16.068 5.489 10.308 112 HG2 GLN 657 HG2 GLN 657 16.718 7.267 11.940 113 HG3 GLN 657 HG1 GLN 657 15.013 7.412 12.365 114 HE21 GLN 657 HE21 GLN 657 14.033 5.779 13.534 115 HE22 GLN 657 HE22 GLN 657 14.930 4.530 14.319 116 H ARG 658 HN ARG 658 13.019 7.273 8.768 117 HA ARG 658 HA ARG 658 12.414 10.033 8.980 118 HB2 ARG 658 HB2 ARG 658 11.329 8.252 7.477 119 HB3 ARG 658 HB1 ARG 658 10.349 7.854 8.879 120 HG2 ARG 658 HG2 ARG 658 9.560 10.191 8.949 121 HG3 ARG 658 HG1 ARG 658 10.477 10.513 7.477 122 HD2 ARG 658 HD2 ARG 658 8.121 8.690 7.845 123 HD3 ARG 658 HD1 ARG 658 8.259 10.093 6.789 124 HE ARG 658 HE ARG 658 10.187 8.147 6.086 125 HH11 ARG 658 HH11 ARG 658 6.776 8.876 5.826 126 HH12 ARG 658 HH12 ARG 658 6.524 7.824 4.460 127 HH21 ARG 658 HH21 ARG 658 9.860 6.750 4.303 128 HH22 ARG 658 HH22 ARG 658 8.270 6.611 3.617 129 H MET 659 HN MET 659 10.569 7.473 10.615 130 HA MET 659 HA MET 659 10.595 9.151 13.038 131 HB2 MET 659 HB2 MET 659 8.388 9.130 11.930 132 HB3 MET 659 HB1 MET 659 8.349 7.378 12.058 133 HG2 MET 659 HG2 MET 659 8.372 7.552 14.493 134 HG3 MET 659 HG1 MET 659 8.414 9.310 14.366 135 HE1 MET 659 HE1 MET 659 6.286 9.563 15.920 136 HE2 MET 659 HE2 MET 659 6.261 7.810 16.120 137 HE3 MET 659 HE3 MET 659 4.788 8.667 15.672 138 H GLY 660 HN GLY 660 10.353 5.854 11.784 139 HA2 GLY 660 HA2 GLY 660 11.831 4.942 14.145 140 HA3 GLY 660 HA1 GLY 660 10.308 4.156 13.757 141 H THR 661 HN THR 661 10.811 4.468 10.850 142 HA THR 661 HA THR 661 12.896 2.415 10.559 143 HB THR 661 HB THR 661 11.517 1.726 8.494 144 HG1 THR 661 HG1 THR 661 9.346 2.828 9.943 145 HG21 THR 661 HG21 THR 661 11.698 0.319 10.464 146 HG22 THR 661 HG22 THR 661 10.042 0.287 9.856 147 HG23 THR 661 HG23 THR 661 10.442 1.252 11.276 148 HA PRO 662 HA PRO 662 14.620 5.209 7.515 149 HB2 PRO 662 HB2 PRO 662 16.534 3.589 6.545 150 HB3 PRO 662 HB1 PRO 662 16.649 4.297 8.162 151 HG2 PRO 662 HG2 PRO 662 15.838 1.536 7.353 152 HG3 PRO 662 HG1 PRO 662 16.841 2.055 8.720 153 HD2 PRO 662 HD2 PRO 662 14.171 1.395 8.905 154 HD3 PRO 662 HD1 PRO 662 15.025 2.451 10.047 155 H MET 663 HN MET 663 12.298 4.561 6.601 156 HA MET 663 HA MET 663 12.613 2.959 4.159 157 HB2 MET 663 HB2 MET 663 10.809 2.266 5.680 158 HB3 MET 663 HB1 MET 663 10.099 3.871 5.575 159 HG2 MET 663 HG2 MET 663 9.710 3.537 3.183 160 HG3 MET 663 HG1 MET 663 10.405 1.923 3.301 161 HE1 MET 663 HE1 MET 663 9.269 0.909 6.109 162 HE2 MET 663 HE2 MET 663 9.309 -0.070 4.643 163 HE3 MET 663 HE3 MET 663 7.816 0.068 5.571 164 H VAL 664 HN VAL 664 12.606 3.903 2.237 165 HA VAL 664 HA VAL 664 12.346 6.769 2.031 166 HB VAL 664 HB VAL 664 12.800 4.706 -0.141 167 HG11 VAL 664 HG11 VAL 664 13.184 7.697 -0.177 168 HG12 VAL 664 HG12 VAL 664 11.914 6.805 -1.014 169 HG13 VAL 664 HG13 VAL 664 13.601 6.587 -1.482 170 HG21 VAL 664 HG21 VAL 664 14.778 6.419 1.361 171 HG22 VAL 664 HG22 VAL 664 15.156 5.368 -0.004 172 HG23 VAL 664 HG23 VAL 664 14.585 4.673 1.513 173 H GLU 665 HN GLU 665 10.488 7.786 1.672 174 HA GLU 665 HA GLU 665 8.102 6.338 0.978 175 HB2 GLU 665 HB2 GLU 665 8.245 8.335 2.555 176 HB3 GLU 665 HB1 GLU 665 8.427 9.336 1.123 177 HG2 GLU 665 HG2 GLU 665 6.134 9.349 1.884 178 HG3 GLU 665 HG1 GLU 665 6.254 8.564 0.309 179 H ASN 666 HN ASN 666 8.808 5.534 -1.079 180 HA ASN 666 HA ASN 666 8.831 7.559 -3.205 181 HB2 ASN 666 HB2 ASN 666 9.878 5.723 -4.605 182 HB3 ASN 666 HB1 ASN 666 10.871 6.365 -3.309 183 HD21 ASN 666 HD21 ASN 666 8.239 4.009 -2.939 184 HD22 ASN 666 HD22 ASN 666 9.267 2.707 -2.437 185 H ASP 667 HN ASP 667 7.600 7.289 -5.034 186 HA ASP 667 HA ASP 667 5.813 6.738 -6.300 187 HB2 ASP 667 HB2 ASP 667 6.799 4.421 -6.164 188 HB3 ASP 667 HB1 ASP 667 5.692 4.103 -4.831 189 H SER 668 HN SER 668 3.839 7.492 -6.140 190 HA SER 668 HA SER 668 2.379 7.143 -3.613 191 HB2 SER 668 HB2 SER 668 3.399 9.406 -3.717 192 HB3 SER 668 HB1 SER 668 2.547 9.704 -5.229 193 HG SER 668 HG SER 668 0.612 9.091 -3.797 194 H GLY 669 HN GLY 669 2.146 5.598 -5.987 195 HA2 GLY 669 HA2 GLY 669 -0.651 6.179 -6.620 196 HA3 GLY 669 HA1 GLY 669 0.476 6.105 -7.963 197 H TYR 670 HN TYR 670 -1.237 4.303 -5.547 198 HA TYR 670 HA TYR 670 -0.111 1.757 -6.135 199 HB2 TYR 670 HB2 TYR 670 -2.684 2.622 -4.823 200 HB3 TYR 670 HB1 TYR 670 -2.304 0.925 -5.089 201 HD1 TYR 670 HD1 TYR 670 -0.375 -0.106 -3.929 202 HD2 TYR 670 HD2 TYR 670 -1.628 3.866 -3.066 203 HE1 TYR 670 HE1 TYR 670 0.899 -0.168 -1.829 204 HE2 TYR 670 HE2 TYR 670 -0.354 3.817 -0.963 205 HH TYR 670 HH TYR 670 1.922 1.374 -0.248 206 H LYS 671 HN LYS 671 -1.249 -0.012 -7.217 207 HA LYS 671 HA LYS 671 -2.752 0.984 -9.550 208 HB2 LYS 671 HB2 LYS 671 -0.806 -1.328 -9.420 209 HB3 LYS 671 HB1 LYS 671 -1.690 -0.810 -10.849 210 HG2 LYS 671 HG2 LYS 671 -0.514 1.308 -10.842 211 HG3 LYS 671 HG1 LYS 671 0.334 0.851 -9.363 212 HD2 LYS 671 HD2 LYS 671 1.356 -1.039 -10.546 213 HD3 LYS 671 HD1 LYS 671 0.525 -0.555 -12.025 214 HE2 LYS 671 HE2 LYS 671 1.712 1.560 -12.024 215 HE3 LYS 671 HE1 LYS 671 2.503 1.138 -10.507 216 HZ1 LYS 671 HZ1 LYS 671 3.931 0.758 -12.426 217 HZ2 LYS 671 HZ2 LYS 671 2.813 -0.335 -13.064 218 HZ3 LYS 671 HZ3 LYS 671 3.604 -0.688 -11.611 219 H LEU 672 HN LEU 672 -4.360 -0.369 -10.422 220 HA LEU 672 HA LEU 672 -5.663 -2.075 -8.505 221 HB2 LEU 672 HB2 LEU 672 -6.337 -1.408 -11.370 222 HB3 LEU 672 HB1 LEU 672 -7.342 -2.393 -10.323 223 HG LEU 672 HG LEU 672 -6.681 0.528 -9.944 224 HD11 LEU 672 HD11 LEU 672 -9.102 0.816 -10.250 225 HD12 LEU 672 HD12 LEU 672 -9.246 -0.909 -10.598 226 HD13 LEU 672 HD13 LEU 672 -8.319 0.135 -11.677 227 HD21 LEU 672 HD21 LEU 672 -8.205 0.422 -8.027 228 HD22 LEU 672 HD22 LEU 672 -6.783 -0.594 -7.790 229 HD23 LEU 672 HD23 LEU 672 -8.327 -1.326 -8.228 230 H GLY 673 HN GLY 673 -5.742 -4.236 -8.467 231 HA2 GLY 673 HA2 GLY 673 -5.347 -6.427 -9.260 232 HA3 GLY 673 HA1 GLY 673 -4.427 -5.755 -10.599 233 H GLN 674 HN GLN 674 -3.453 -4.143 -7.931 234 HA GLN 674 HA GLN 674 -0.971 -5.603 -7.783 235 HB2 GLN 674 HB2 GLN 674 -1.060 -3.115 -7.732 236 HB3 GLN 674 HB1 GLN 674 -1.903 -3.210 -6.195 237 HG2 GLN 674 HG2 GLN 674 0.470 -2.695 -5.923 238 HG3 GLN 674 HG1 GLN 674 0.016 -4.210 -5.142 239 HE21 GLN 674 HE21 GLN 674 1.735 -2.749 -7.783 240 HE22 GLN 674 HE22 GLN 674 2.641 -4.152 -8.232 241 H ARG 675 HN ARG 675 -0.173 -6.669 -6.005 242 HA ARG 675 HA ARG 675 -2.197 -7.464 -4.028 243 HB2 ARG 675 HB2 ARG 675 0.346 -8.869 -4.872 244 HB3 ARG 675 HB1 ARG 675 -0.676 -9.396 -3.544 245 HG2 ARG 675 HG2 ARG 675 -1.275 -10.758 -5.348 246 HG3 ARG 675 HG1 ARG 675 -2.554 -9.547 -5.257 247 HD2 ARG 675 HD2 ARG 675 -1.766 -9.998 -7.570 248 HD3 ARG 675 HD1 ARG 675 -1.597 -8.314 -7.078 249 HE ARG 675 HE ARG 675 0.717 -10.079 -6.797 250 HH11 ARG 675 HH11 ARG 675 -0.882 -7.520 -8.579 251 HH12 ARG 675 HH12 ARG 675 0.587 -6.914 -9.275 252 HH21 ARG 675 HH21 ARG 675 2.647 -9.297 -7.723 253 HH22 ARG 675 HH22 ARG 675 2.598 -7.927 -8.787 254 H VAL 676 HN VAL 676 -1.934 -6.960 -1.971 255 HA VAL 676 HA VAL 676 0.540 -5.529 -1.241 256 HB VAL 676 HB VAL 676 -0.839 -4.109 0.205 257 HG11 VAL 676 HG11 VAL 676 -1.895 -2.781 -1.548 258 HG12 VAL 676 HG12 VAL 676 -1.778 -4.149 -2.658 259 HG13 VAL 676 HG13 VAL 676 -0.313 -3.369 -2.062 260 HG21 VAL 676 HG21 VAL 676 -3.282 -4.145 0.021 261 HG22 VAL 676 HG22 VAL 676 -2.656 -5.677 0.638 262 HG23 VAL 676 HG23 VAL 676 -3.178 -5.549 -1.043 263 H ARG 677 HN ARG 677 1.261 -5.710 0.889 264 HA ARG 677 HA ARG 677 -0.070 -7.742 2.539 265 HB2 ARG 677 HB2 ARG 677 2.773 -7.395 1.802 266 HB3 ARG 677 HB1 ARG 677 2.445 -7.845 3.465 267 HG2 ARG 677 HG2 ARG 677 1.171 -9.769 2.705 268 HG3 ARG 677 HG1 ARG 677 1.493 -9.326 1.029 269 HD2 ARG 677 HD2 ARG 677 3.059 -11.013 1.582 270 HD3 ARG 677 HD1 ARG 677 3.950 -9.491 1.599 271 HE ARG 677 HE ARG 677 2.888 -10.443 4.137 272 HH11 ARG 677 HH11 ARG 677 5.656 -10.044 2.032 273 HH12 ARG 677 HH12 ARG 677 6.810 -10.341 3.290 274 HH21 ARG 677 HH21 ARG 677 4.402 -10.839 5.793 275 HH22 ARG 677 HH22 ARG 677 6.098 -10.792 5.432 276 H HIS 678 HN HIS 678 -0.771 -7.069 4.386 277 HA HIS 678 HA HIS 678 0.553 -4.842 5.774 278 HB2 HIS 678 HB2 HIS 678 -1.489 -4.090 4.396 279 HB3 HIS 678 HB1 HIS 678 -2.452 -5.022 5.533 280 HD1 HIS 678 HD1 HIS 678 -0.057 -2.070 5.512 281 HD2 HIS 678 HD2 HIS 678 -3.155 -3.665 7.784 282 HE1 HIS 678 HE1 HIS 678 -0.552 -0.358 7.277 283 HE2 HIS 678 HE2 HIS 678 -2.543 -1.263 8.525 284 H ALA 679 HN ALA 679 1.203 -5.846 7.588 285 HA ALA 679 HA ALA 679 0.643 -8.322 8.471 286 HB1 ALA 679 HB1 ALA 679 1.617 -7.766 10.560 287 HB2 ALA 679 HB2 ALA 679 1.172 -6.070 10.385 288 HB3 ALA 679 HB3 ALA 679 2.404 -6.771 9.332 289 H LYS 680 HN LYS 680 -1.288 -5.488 9.273 290 HA LYS 680 HA LYS 680 -2.606 -6.781 11.462 291 HB2 LYS 680 HB2 LYS 680 -3.305 -4.227 10.029 292 HB3 LYS 680 HB1 LYS 680 -4.016 -4.762 11.539 293 HG2 LYS 680 HG2 LYS 680 -1.397 -3.514 10.997 294 HG3 LYS 680 HG1 LYS 680 -2.465 -3.354 12.389 295 HD2 LYS 680 HD2 LYS 680 -1.755 -5.674 13.061 296 HD3 LYS 680 HD1 LYS 680 -0.552 -5.595 11.782 297 HE2 LYS 680 HE2 LYS 680 -0.759 -3.709 14.127 298 HE3 LYS 680 HE1 LYS 680 0.413 -5.012 13.950 299 HZ1 LYS 680 HZ1 LYS 680 1.362 -2.874 13.354 300 HZ2 LYS 680 HZ2 LYS 680 0.182 -2.646 12.169 301 HZ3 LYS 680 HZ3 LYS 680 1.311 -3.895 12.007 302 H PHE 681 HN PHE 681 -3.272 -6.369 8.058 303 HA PHE 681 HA PHE 681 -5.909 -7.616 8.495 304 HB2 PHE 681 HB2 PHE 681 -5.036 -5.721 6.313 305 HB3 PHE 681 HB1 PHE 681 -6.590 -6.545 6.345 306 HD1 PHE 681 HD1 PHE 681 -5.369 -3.487 6.673 307 HD2 PHE 681 HD2 PHE 681 -7.493 -6.295 9.060 308 HE1 PHE 681 HE1 PHE 681 -6.307 -1.645 8.005 309 HE2 PHE 681 HE2 PHE 681 -8.438 -4.459 10.391 310 HZ PHE 681 HZ PHE 681 -7.843 -2.128 9.865 311 H GLY 682 HN GLY 682 -2.849 -8.015 7.113 312 HA2 GLY 682 HA2 GLY 682 -2.143 -10.115 6.231 313 HA3 GLY 682 HA1 GLY 682 -3.792 -10.419 5.707 314 H GLU 683 HN GLU 683 -2.971 -10.947 3.617 315 HA GLU 683 HA GLU 683 -2.068 -8.619 2.076 316 HB2 GLU 683 HB2 GLU 683 -1.203 -10.214 0.409 317 HB3 GLU 683 HB1 GLU 683 -0.470 -10.444 1.985 318 HG2 GLU 683 HG2 GLU 683 -2.757 -12.118 0.996 319 HG3 GLU 683 HG1 GLU 683 -1.067 -12.529 0.714 320 H GLY 684 HN GLY 684 -3.046 -8.130 0.101 321 HA2 GLY 684 HA2 GLY 684 -5.317 -9.706 -0.777 322 HA3 GLY 684 HA1 GLY 684 -5.720 -8.122 -0.125 323 H THR 685 HN THR 685 -6.515 -8.333 -2.544 324 HA THR 685 HA THR 685 -4.429 -7.120 -4.228 325 HB THR 685 HB THR 685 -6.908 -8.611 -5.126 326 HG1 THR 685 HG1 THR 685 -4.925 -9.925 -5.999 327 HG21 THR 685 HG21 THR 685 -4.596 -7.487 -6.717 328 HG22 THR 685 HG22 THR 685 -6.243 -6.857 -6.699 329 HG23 THR 685 HG23 THR 685 -5.917 -8.456 -7.368 330 H ILE 686 HN ILE 686 -4.716 -5.070 -4.790 331 HA ILE 686 HA ILE 686 -6.993 -3.593 -3.896 332 HB ILE 686 HB ILE 686 -4.902 -2.668 -5.871 333 HG12 ILE 686 HG12 ILE 686 -4.831 -2.530 -2.845 334 HG13 ILE 686 HG11 ILE 686 -3.826 -3.580 -3.838 335 HG21 ILE 686 HG21 ILE 686 -5.448 -0.444 -5.007 336 HG22 ILE 686 HG22 ILE 686 -6.651 -1.154 -3.932 337 HG23 ILE 686 HG23 ILE 686 -6.873 -1.237 -5.678 338 HD11 ILE 686 HD11 ILE 686 -2.776 -1.628 -4.846 339 HD12 ILE 686 HD12 ILE 686 -2.604 -1.616 -3.091 340 HD13 ILE 686 HD13 ILE 686 -3.792 -0.570 -3.867 341 H VAL 687 HN VAL 687 -8.906 -3.946 -4.868 342 HA VAL 687 HA VAL 687 -8.960 -4.492 -7.739 343 HB VAL 687 HB VAL 687 -11.335 -5.122 -7.372 344 HG11 VAL 687 HG11 VAL 687 -9.603 -6.821 -7.311 345 HG12 VAL 687 HG12 VAL 687 -10.861 -7.190 -6.132 346 HG13 VAL 687 HG13 VAL 687 -9.327 -6.504 -5.597 347 HG21 VAL 687 HG21 VAL 687 -10.695 -4.657 -4.459 348 HG22 VAL 687 HG22 VAL 687 -12.170 -5.393 -5.088 349 HG23 VAL 687 HG23 VAL 687 -11.808 -3.702 -5.441 350 H ASN 688 HN ASN 688 -9.824 -2.056 -5.443 351 HA ASN 688 HA ASN 688 -10.633 -0.300 -7.622 352 HB2 ASN 688 HB2 ASN 688 -12.725 -1.374 -6.724 353 HB3 ASN 688 HB1 ASN 688 -12.361 -0.651 -5.167 354 HD21 ASN 688 HD21 ASN 688 -13.417 -0.065 -8.417 355 HD22 ASN 688 HD22 ASN 688 -13.987 1.545 -8.149 356 H MET 689 HN MET 689 -10.787 1.978 -6.846 357 HA MET 689 HA MET 689 -9.607 2.638 -4.322 358 HB2 MET 689 HB2 MET 689 -7.659 3.852 -5.243 359 HB3 MET 689 HB1 MET 689 -7.552 2.119 -5.505 360 HG2 MET 689 HG2 MET 689 -8.236 2.406 -7.816 361 HG3 MET 689 HG1 MET 689 -8.414 4.138 -7.560 362 HE1 MET 689 HE1 MET 689 -5.842 1.143 -7.504 363 HE2 MET 689 HE2 MET 689 -5.567 1.953 -5.964 364 HE3 MET 689 HE3 MET 689 -4.331 2.003 -7.218 365 H GLU 690 HN GLU 690 -9.553 4.966 -3.968 366 HA GLU 690 HA GLU 690 -11.367 6.407 -5.790 367 HB2 GLU 690 HB2 GLU 690 -11.478 6.410 -2.773 368 HB3 GLU 690 HB1 GLU 690 -12.471 7.405 -3.825 369 HG2 GLU 690 HG2 GLU 690 -13.484 5.392 -4.767 370 HG3 GLU 690 HG1 GLU 690 -12.491 4.401 -3.698 371 H GLY 691 HN GLY 691 -10.485 8.202 -6.512 372 HA2 GLY 691 HA2 GLY 691 -9.458 10.242 -6.551 373 HA3 GLY 691 HA1 GLY 691 -9.608 10.251 -4.804 374 H SER 692 HN SER 692 -7.591 11.425 -4.958 375 HA SER 692 HA SER 692 -5.364 9.620 -4.550 376 HB2 SER 692 HB2 SER 692 -5.178 11.897 -6.544 377 HB3 SER 692 HB1 SER 692 -3.853 10.846 -6.044 378 HG SER 692 HG SER 692 -5.746 9.232 -6.825 379 H GLY 693 HN GLY 693 -3.430 10.953 -3.693 380 HA2 GLY 693 HA2 GLY 693 -2.594 12.833 -2.555 381 HA3 GLY 693 HA1 GLY 693 -4.206 13.527 -2.563 382 H GLU 694 HN GLU 694 -4.516 13.962 -0.448 383 HA GLU 694 HA GLU 694 -3.728 12.053 1.581 384 HB2 GLU 694 HB2 GLU 694 -5.103 14.736 1.771 385 HB3 GLU 694 HB1 GLU 694 -4.707 13.742 3.164 386 HG2 GLU 694 HG2 GLU 694 -3.015 15.369 2.996 387 HG3 GLU 694 HG1 GLU 694 -2.307 13.858 2.437 388 H HIS 695 HN HIS 695 -6.563 12.914 -0.170 389 HA HIS 695 HA HIS 695 -8.259 11.383 1.675 390 HB2 HIS 695 HB2 HIS 695 -8.975 13.287 -0.563 391 HB3 HIS 695 HB1 HIS 695 -10.159 12.343 0.335 392 HD1 HIS 695 HD1 HIS 695 -10.539 13.001 2.843 393 HD2 HIS 695 HD2 HIS 695 -8.005 15.538 0.738 394 HE1 HIS 695 HE1 HIS 695 -10.291 15.054 4.275 395 HE2 HIS 695 HE2 HIS 695 -8.798 16.597 2.960 396 H SER 696 HN SER 696 -6.370 10.080 0.042 397 HA SER 696 HA SER 696 -7.869 8.849 -2.123 398 HB2 SER 696 HB2 SER 696 -5.678 7.585 -2.425 399 HB3 SER 696 HB1 SER 696 -5.587 9.334 -2.641 400 HG SER 696 HG SER 696 -4.238 9.418 -1.039 401 H ARG 697 HN ARG 697 -8.742 6.827 -2.030 402 HA ARG 697 HA ARG 697 -8.182 5.229 0.386 403 HB2 ARG 697 HB2 ARG 697 -10.889 5.339 -0.943 404 HB3 ARG 697 HB1 ARG 697 -10.476 4.628 0.614 405 HG2 ARG 697 HG2 ARG 697 -10.059 6.828 1.538 406 HG3 ARG 697 HG1 ARG 697 -10.396 7.569 -0.028 407 HD2 ARG 697 HD2 ARG 697 -12.382 7.823 1.182 408 HD3 ARG 697 HD1 ARG 697 -12.677 6.452 0.115 409 HE ARG 697 HE ARG 697 -11.951 6.134 2.957 410 HH11 ARG 697 HH11 ARG 697 -13.855 5.192 0.153 411 HH12 ARG 697 HH12 ARG 697 -14.830 4.074 1.057 412 HH21 ARG 697 HH21 ARG 697 -13.242 4.665 4.121 413 HH22 ARG 697 HH22 ARG 697 -14.480 3.765 3.301 414 H LEU 698 HN LEU 698 -8.117 3.004 0.082 415 HA LEU 698 HA LEU 698 -8.283 2.090 -2.718 416 HB2 LEU 698 HB2 LEU 698 -6.461 0.887 -0.654 417 HB3 LEU 698 HB1 LEU 698 -6.433 0.662 -2.388 418 HG LEU 698 HG LEU 698 -5.746 3.274 -1.050 419 HD11 LEU 698 HD11 LEU 698 -3.408 2.672 -1.462 420 HD12 LEU 698 HD12 LEU 698 -3.920 1.077 -2.016 421 HD13 LEU 698 HD13 LEU 698 -4.180 1.554 -0.337 422 HD21 LEU 698 HD21 LEU 698 -4.712 3.779 -3.216 423 HD22 LEU 698 HD22 LEU 698 -6.443 3.478 -3.375 424 HD23 LEU 698 HD23 LEU 698 -5.286 2.234 -3.845 425 H GLN 699 HN GLN 699 -9.599 0.397 -3.040 426 HA GLN 699 HA GLN 699 -10.654 -0.988 -0.678 427 HB2 GLN 699 HB2 GLN 699 -11.709 -0.432 -3.398 428 HB3 GLN 699 HB1 GLN 699 -12.177 -1.960 -2.665 429 HG2 GLN 699 HG2 GLN 699 -13.848 -0.306 -2.200 430 HG3 GLN 699 HG1 GLN 699 -13.016 -0.738 -0.708 431 HE21 GLN 699 HE21 GLN 699 -13.537 1.739 -3.090 432 HE22 GLN 699 HE22 GLN 699 -12.886 3.047 -2.162 433 H VAL 700 HN VAL 700 -9.599 -2.691 -0.140 434 HA VAL 700 HA VAL 700 -8.110 -4.183 -2.194 435 HB VAL 700 HB VAL 700 -7.604 -4.101 0.784 436 HG11 VAL 700 HG11 VAL 700 -6.825 -6.147 -0.279 437 HG12 VAL 700 HG12 VAL 700 -5.467 -5.140 0.222 438 HG13 VAL 700 HG13 VAL 700 -5.940 -5.200 -1.476 439 HG21 VAL 700 HG21 VAL 700 -5.676 -2.684 0.249 440 HG22 VAL 700 HG22 VAL 700 -7.197 -1.915 -0.203 441 HG23 VAL 700 HG23 VAL 700 -6.179 -2.649 -1.441 442 H ALA 701 HN ALA 701 -8.736 -6.174 -2.655 443 HA ALA 701 HA ALA 701 -10.685 -7.520 -0.972 444 HB1 ALA 701 HB1 ALA 701 -10.963 -7.526 -3.416 445 HB2 ALA 701 HB2 ALA 701 -10.808 -9.158 -2.768 446 HB3 ALA 701 HB3 ALA 701 -9.438 -8.396 -3.577 447 H PHE 702 HN PHE 702 -9.601 -8.146 0.863 448 HA PHE 702 HA PHE 702 -7.047 -9.439 0.770 449 HB2 PHE 702 HB2 PHE 702 -9.088 -9.091 2.968 450 HB3 PHE 702 HB1 PHE 702 -7.557 -9.926 3.203 451 HD1 PHE 702 HD1 PHE 702 -5.431 -8.689 2.985 452 HD2 PHE 702 HD2 PHE 702 -9.200 -6.723 2.896 453 HE1 PHE 702 HE1 PHE 702 -4.317 -6.542 3.438 454 HE2 PHE 702 HE2 PHE 702 -8.094 -4.576 3.348 455 HZ PHE 702 HZ PHE 702 -5.651 -4.479 3.620 456 H GLN 703 HN GLN 703 -6.552 -11.533 0.815 457 HA GLN 703 HA GLN 703 -8.426 -13.351 -0.282 458 HB2 GLN 703 HB2 GLN 703 -5.997 -13.385 -0.762 459 HB3 GLN 703 HB1 GLN 703 -5.695 -13.899 0.892 460 HG2 GLN 703 HG2 GLN 703 -7.019 -15.936 0.460 461 HG3 GLN 703 HG1 GLN 703 -7.193 -15.430 -1.220 462 HE21 GLN 703 HE21 GLN 703 -5.940 -17.814 -0.118 463 HE22 GLN 703 HE22 GLN 703 -4.306 -17.797 -0.680 464 H GLY 704 HN GLY 704 -7.263 -12.743 2.954 465 HA2 GLY 704 HA2 GLY 704 -8.320 -15.205 4.023 466 HA3 GLY 704 HA1 GLY 704 -7.616 -13.882 4.941 467 H GLN 705 HN GLN 705 -9.353 -11.838 3.891 468 HA GLN 705 HA GLN 705 -11.788 -12.606 5.351 469 HB2 GLN 705 HB2 GLN 705 -10.415 -9.924 5.186 470 HB3 GLN 705 HB1 GLN 705 -11.983 -10.186 5.940 471 HG2 GLN 705 HG2 GLN 705 -9.452 -11.575 6.782 472 HG3 GLN 705 HG1 GLN 705 -10.069 -10.100 7.523 473 HE21 GLN 705 HE21 GLN 705 -10.264 -11.136 9.517 474 HE22 GLN 705 HE22 GLN 705 -11.540 -12.254 9.841 475 H GLY 706 HN GLY 706 -11.026 -9.824 3.254 476 HA2 GLY 706 HA2 GLY 706 -12.482 -10.473 1.022 477 HA3 GLY 706 HA1 GLY 706 -13.668 -9.856 2.163 478 H ILE 707 HN ILE 707 -14.067 -8.121 0.692 479 HA ILE 707 HA ILE 707 -11.934 -6.342 -0.053 480 HB ILE 707 HB ILE 707 -14.919 -6.003 -0.375 481 HG12 ILE 707 HG12 ILE 707 -12.828 -6.979 -2.336 482 HG13 ILE 707 HG11 ILE 707 -14.020 -7.993 -1.532 483 HG21 ILE 707 HG21 ILE 707 -13.722 -3.878 -0.473 484 HG22 ILE 707 HG22 ILE 707 -14.339 -4.326 -2.063 485 HG23 ILE 707 HG23 ILE 707 -12.628 -4.540 -1.688 486 HD11 ILE 707 HD11 ILE 707 -14.677 -7.506 -3.809 487 HD12 ILE 707 HD12 ILE 707 -14.608 -5.775 -3.477 488 HD13 ILE 707 HD13 ILE 707 -15.808 -6.783 -2.667 489 H LYS 708 HN LYS 708 -11.174 -4.733 1.104 490 HA LYS 708 HA LYS 708 -12.921 -3.454 3.100 491 HB2 LYS 708 HB2 LYS 708 -10.028 -4.243 3.412 492 HB3 LYS 708 HB1 LYS 708 -10.862 -3.147 4.501 493 HG2 LYS 708 HG2 LYS 708 -12.450 -4.932 5.054 494 HG3 LYS 708 HG1 LYS 708 -11.567 -6.028 3.987 495 HD2 LYS 708 HD2 LYS 708 -9.525 -5.544 5.397 496 HD3 LYS 708 HD1 LYS 708 -10.612 -4.746 6.538 497 HE2 LYS 708 HE2 LYS 708 -11.936 -6.887 6.590 498 HE3 LYS 708 HE1 LYS 708 -10.620 -7.629 5.680 499 HZ1 LYS 708 HZ1 LYS 708 -9.114 -7.151 7.475 500 HZ2 LYS 708 HZ2 LYS 708 -10.446 -7.988 8.091 501 HZ3 LYS 708 HZ3 LYS 708 -10.315 -6.322 8.328 502 H TRP 709 HN TRP 709 -12.001 -1.335 3.813 503 HA TRP 709 HA TRP 709 -10.983 0.132 1.484 504 HB2 TRP 709 HB2 TRP 709 -11.937 2.131 2.628 505 HB3 TRP 709 HB1 TRP 709 -13.157 0.904 2.289 506 HD1 TRP 709 HD1 TRP 709 -14.069 -0.523 4.410 507 HE1 TRP 709 HE1 TRP 709 -14.142 0.037 6.915 508 HE3 TRP 709 HE3 TRP 709 -10.772 3.378 4.454 509 HZ2 TRP 709 HZ2 TRP 709 -12.963 1.902 8.681 510 HZ3 TRP 709 HZ3 TRP 709 -10.297 4.492 6.597 511 HH2 TRP 709 HH2 TRP 709 -11.372 3.769 8.662 512 H LEU 710 HN LEU 710 -9.028 1.057 1.590 513 HA LEU 710 HA LEU 710 -7.794 1.470 4.233 514 HB2 LEU 710 HB2 LEU 710 -6.556 0.266 1.760 515 HB3 LEU 710 HB1 LEU 710 -5.580 0.986 3.020 516 HG LEU 710 HG LEU 710 -5.538 -1.359 3.365 517 HD11 LEU 710 HD11 LEU 710 -6.501 -1.613 5.570 518 HD12 LEU 710 HD12 LEU 710 -7.521 -0.200 5.308 519 HD13 LEU 710 HD13 LEU 710 -5.769 -0.019 5.391 520 HD21 LEU 710 HD21 LEU 710 -8.548 -1.317 3.227 521 HD22 LEU 710 HD22 LEU 710 -7.565 -2.714 3.668 522 HD23 LEU 710 HD23 LEU 710 -7.447 -2.030 2.045 523 H VAL 711 HN VAL 711 -7.734 3.632 4.454 524 HA VAL 711 HA VAL 711 -7.622 5.469 2.299 525 HB VAL 711 HB VAL 711 -6.829 5.933 5.184 526 HG11 VAL 711 HG11 VAL 711 -5.988 7.674 3.701 527 HG12 VAL 711 HG12 VAL 711 -7.294 8.294 4.710 528 HG13 VAL 711 HG13 VAL 711 -7.600 7.892 3.021 529 HG21 VAL 711 HG21 VAL 711 -9.483 6.350 3.810 530 HG22 VAL 711 HG22 VAL 711 -9.101 6.791 5.475 531 HG23 VAL 711 HG23 VAL 711 -9.111 5.094 4.992 532 H ALA 712 HN ALA 712 -5.970 5.699 0.968 533 HA ALA 712 HA ALA 712 -3.592 4.286 1.211 534 HB1 ALA 712 HB1 ALA 712 -4.125 6.668 -0.553 535 HB2 ALA 712 HB2 ALA 712 -4.588 5.005 -0.910 536 HB3 ALA 712 HB3 ALA 712 -2.882 5.439 -0.794 537 H ALA 713 HN ALA 713 -4.306 7.607 2.075 538 HA ALA 713 HA ALA 713 -1.659 8.523 2.364 539 HB1 ALA 713 HB1 ALA 713 -4.130 9.467 3.809 540 HB2 ALA 713 HB2 ALA 713 -3.600 10.010 2.218 541 HB3 ALA 713 HB3 ALA 713 -2.616 10.353 3.640 542 H TYR 714 HN TYR 714 -3.549 6.418 4.316 543 HA TYR 714 HA TYR 714 -1.481 6.512 6.413 544 HB2 TYR 714 HB2 TYR 714 -4.429 6.089 6.955 545 HB3 TYR 714 HB1 TYR 714 -3.141 6.247 8.144 546 HD1 TYR 714 HD1 TYR 714 -5.614 7.960 6.228 547 HD2 TYR 714 HD2 TYR 714 -1.927 8.504 8.279 548 HE1 TYR 714 HE1 TYR 714 -6.037 10.377 6.332 549 HE2 TYR 714 HE2 TYR 714 -2.343 10.927 8.391 550 HH TYR 714 HH TYR 714 -5.331 12.308 7.794 551 H ALA 715 HN ALA 715 -2.268 4.783 4.010 552 HA ALA 715 HA ALA 715 -3.165 2.310 5.216 553 HB1 ALA 715 HB1 ALA 715 -3.222 1.449 2.945 554 HB2 ALA 715 HB2 ALA 715 -2.392 2.892 2.360 555 HB3 ALA 715 HB3 ALA 715 -4.021 3.022 3.027 556 H ARG 716 HN ARG 716 -0.393 3.201 3.164 557 HA ARG 716 HA ARG 716 1.710 2.381 2.975 558 HB2 ARG 716 HB2 ARG 716 1.325 1.662 5.886 559 HB3 ARG 716 HB1 ARG 716 2.867 1.714 5.042 560 HG2 ARG 716 HG2 ARG 716 2.583 4.104 4.653 561 HG3 ARG 716 HG1 ARG 716 1.027 4.055 5.485 562 HD2 ARG 716 HD2 ARG 716 2.186 3.280 7.524 563 HD3 ARG 716 HD1 ARG 716 3.727 3.445 6.680 564 HE ARG 716 HE ARG 716 2.234 5.861 6.578 565 HH11 ARG 716 HH11 ARG 716 4.215 3.927 8.716 566 HH12 ARG 716 HH12 ARG 716 4.738 5.281 9.663 567 HH21 ARG 716 HH21 ARG 716 2.901 7.639 7.825 568 HH22 ARG 716 HH22 ARG 716 3.981 7.397 9.162 569 H LEU 717 HN LEU 717 0.816 0.798 1.525 570 HA LEU 717 HA LEU 717 0.709 -1.921 2.621 571 HB2 LEU 717 HB2 LEU 717 -0.358 -0.668 0.120 572 HB3 LEU 717 HB1 LEU 717 -0.086 -2.394 0.182 573 HG LEU 717 HG LEU 717 -2.390 -2.011 0.637 574 HD11 LEU 717 HD11 LEU 717 -2.672 -2.968 2.837 575 HD12 LEU 717 HD12 LEU 717 -1.023 -2.525 3.267 576 HD13 LEU 717 HD13 LEU 717 -1.311 -3.732 2.016 577 HD21 LEU 717 HD21 LEU 717 -1.516 -0.088 2.774 578 HD22 LEU 717 HD22 LEU 717 -3.177 -0.586 2.443 579 HD23 LEU 717 HD23 LEU 717 -2.273 0.329 1.236 580 H GLU 718 HN GLU 718 2.303 -3.298 2.285 581 HA GLU 718 HA GLU 718 4.507 -2.595 0.536 582 HB2 GLU 718 HB2 GLU 718 4.954 -3.561 2.764 583 HB3 GLU 718 HB1 GLU 718 4.072 -5.013 2.313 584 HG2 GLU 718 HG2 GLU 718 5.725 -5.532 0.624 585 HG3 GLU 718 HG1 GLU 718 6.584 -4.033 0.973 586 H SER 719 HN SER 719 4.679 -3.291 -1.506 587 HA SER 719 HA SER 719 2.644 -4.896 -2.682 588 HB2 SER 719 HB2 SER 719 3.827 -3.114 -3.922 589 HB3 SER 719 HB1 SER 719 5.319 -4.043 -3.819 590 HG SER 719 HG SER 719 2.991 -5.150 -4.972 591 H VAL 720 HN VAL 720 2.556 -7.034 -2.975 592 HA VAL 720 HA VAL 720 4.623 -8.727 -1.919 593 HB VAL 720 HB VAL 720 2.239 -9.593 -3.556 594 HG11 VAL 720 HG11 VAL 720 2.480 -11.689 -2.332 595 HG12 VAL 720 HG12 VAL 720 3.864 -11.030 -1.460 596 HG13 VAL 720 HG13 VAL 720 3.963 -11.295 -3.202 597 HG21 VAL 720 HG21 VAL 720 1.091 -9.920 -1.382 598 HG22 VAL 720 HG22 VAL 720 1.402 -8.227 -1.766 599 HG23 VAL 720 HG23 VAL 720 2.422 -9.066 -0.598 Start of MODEL 7 1 H1 ARG 645 HT1 ARG 645 -33.944 10.457 -26.863 2 H2 ARG 645 HT2 ARG 645 -32.331 10.815 -26.514 3 H3 ARG 645 HT3 ARG 645 -33.065 11.477 -27.884 4 HA ARG 645 HA ARG 645 -34.526 12.788 -26.565 5 HB2 ARG 645 HB2 ARG 645 -34.813 11.245 -24.695 6 HB3 ARG 645 HB1 ARG 645 -33.133 11.459 -24.229 7 HG2 ARG 645 HG2 ARG 645 -34.624 12.716 -22.777 8 HG3 ARG 645 HG1 ARG 645 -33.562 13.790 -23.685 9 HD2 ARG 645 HD2 ARG 645 -35.414 14.140 -25.310 10 HD3 ARG 645 HD1 ARG 645 -36.462 13.192 -24.256 11 HE ARG 645 HE ARG 645 -35.792 14.984 -22.525 12 HH11 ARG 645 HH11 ARG 645 -36.303 15.551 -25.943 13 HH12 ARG 645 HH12 ARG 645 -36.749 17.211 -25.727 14 HH21 ARG 645 HH21 ARG 645 -36.377 17.166 -22.241 15 HH22 ARG 645 HH22 ARG 645 -36.789 18.134 -23.624 16 H LEU 646 HN LEU 646 -33.711 14.677 -27.124 17 HA LEU 646 HA LEU 646 -30.890 15.216 -26.943 18 HB2 LEU 646 HB2 LEU 646 -32.377 15.931 -28.839 19 HB3 LEU 646 HB1 LEU 646 -33.129 17.076 -27.749 20 HG LEU 646 HG LEU 646 -30.165 17.191 -28.218 21 HD11 LEU 646 HD11 LEU 646 -32.291 18.412 -29.974 22 HD12 LEU 646 HD12 LEU 646 -31.173 17.128 -30.436 23 HD13 LEU 646 HD13 LEU 646 -30.561 18.740 -30.067 24 HD21 LEU 646 HD21 LEU 646 -31.124 18.574 -26.442 25 HD22 LEU 646 HD22 LEU 646 -32.255 19.282 -27.596 26 HD23 LEU 646 HD23 LEU 646 -30.524 19.570 -27.768 27 H ARG 647 HN ARG 647 -29.937 15.940 -25.191 28 HA ARG 647 HA ARG 647 -31.246 17.979 -23.549 29 HB2 ARG 647 HB2 ARG 647 -30.039 15.412 -22.505 30 HB3 ARG 647 HB1 ARG 647 -30.348 16.812 -21.489 31 HG2 ARG 647 HG2 ARG 647 -32.711 16.650 -21.900 32 HG3 ARG 647 HG1 ARG 647 -32.455 15.348 -23.062 33 HD2 ARG 647 HD2 ARG 647 -31.766 15.222 -20.129 34 HD3 ARG 647 HD1 ARG 647 -33.213 14.531 -20.861 35 HE ARG 647 HE ARG 647 -30.698 13.633 -21.985 36 HH11 ARG 647 HH11 ARG 647 -33.244 13.032 -19.661 37 HH12 ARG 647 HH12 ARG 647 -32.891 11.341 -19.519 38 HH21 ARG 647 HH21 ARG 647 -30.231 11.403 -21.805 39 HH22 ARG 647 HH22 ARG 647 -31.174 10.414 -20.738 40 H ALA 648 HN ALA 648 -29.881 19.582 -23.002 41 HA ALA 648 HA ALA 648 -27.309 19.722 -24.144 42 HB1 ALA 648 HB1 ALA 648 -28.674 21.702 -23.689 43 HB2 ALA 648 HB2 ALA 648 -27.084 21.828 -22.938 44 HB3 ALA 648 HB3 ALA 648 -28.493 21.429 -21.956 45 H THR 649 HN THR 649 -25.469 18.872 -23.482 46 HA THR 649 HA THR 649 -25.302 17.559 -20.929 47 HB THR 649 HB THR 649 -22.868 17.155 -21.829 48 HG1 THR 649 HG1 THR 649 -23.274 17.131 -24.308 49 HG21 THR 649 HG21 THR 649 -25.317 15.957 -23.128 50 HG22 THR 649 HG22 THR 649 -24.552 15.412 -21.636 51 HG23 THR 649 HG23 THR 649 -23.698 15.261 -23.171 52 H VAL 650 HN VAL 650 -25.597 19.679 -19.797 53 HA VAL 650 HA VAL 650 -23.299 21.421 -19.694 54 HB VAL 650 HB VAL 650 -24.533 22.602 -17.906 55 HG11 VAL 650 HG11 VAL 650 -26.161 22.002 -20.372 56 HG12 VAL 650 HG12 VAL 650 -24.889 23.215 -20.232 57 HG13 VAL 650 HG13 VAL 650 -26.381 23.392 -19.309 58 HG21 VAL 650 HG21 VAL 650 -25.669 20.696 -16.895 59 HG22 VAL 650 HG22 VAL 650 -26.636 20.484 -18.353 60 HG23 VAL 650 HG23 VAL 650 -26.832 21.933 -17.370 61 H SER 651 HN SER 651 -24.146 18.498 -18.284 62 HA SER 651 HA SER 651 -22.742 18.856 -15.798 63 HB2 SER 651 HB2 SER 651 -23.622 16.281 -17.127 64 HB3 SER 651 HB1 SER 651 -23.225 16.514 -15.424 65 HG SER 651 HG SER 651 -25.025 17.907 -15.260 66 H ARG 652 HN ARG 652 -20.941 17.205 -15.291 67 HA ARG 652 HA ARG 652 -18.788 16.555 -15.603 68 HB2 ARG 652 HB2 ARG 652 -19.770 14.932 -17.149 69 HB3 ARG 652 HB1 ARG 652 -19.721 16.113 -18.448 70 HG2 ARG 652 HG2 ARG 652 -17.238 16.151 -18.222 71 HG3 ARG 652 HG1 ARG 652 -17.379 14.819 -17.074 72 HD2 ARG 652 HD2 ARG 652 -16.862 14.023 -19.333 73 HD3 ARG 652 HD1 ARG 652 -18.428 13.436 -18.776 74 HE ARG 652 HE ARG 652 -19.102 15.657 -20.130 75 HH11 ARG 652 HH11 ARG 652 -17.017 12.980 -20.997 76 HH12 ARG 652 HH12 ARG 652 -17.407 13.065 -22.687 77 HH21 ARG 652 HH21 ARG 652 -19.604 15.776 -22.345 78 HH22 ARG 652 HH22 ARG 652 -18.876 14.652 -23.452 79 HA PRO 653 HA PRO 653 -17.732 20.714 -17.249 80 HB2 PRO 653 HB2 PRO 653 -16.374 21.590 -15.092 81 HB3 PRO 653 HB1 PRO 653 -18.137 21.641 -15.182 82 HG2 PRO 653 HG2 PRO 653 -16.364 19.705 -13.760 83 HG3 PRO 653 HG1 PRO 653 -17.910 20.397 -13.244 84 HD2 PRO 653 HD2 PRO 653 -17.608 17.879 -14.320 85 HD3 PRO 653 HD1 PRO 653 -19.120 18.807 -14.345 86 H VAL 654 HN VAL 654 -16.332 19.932 -18.811 87 HA VAL 654 HA VAL 654 -14.339 19.603 -19.843 88 HB VAL 654 HB VAL 654 -13.012 20.614 -17.316 89 HG11 VAL 654 HG11 VAL 654 -11.288 21.437 -18.849 90 HG12 VAL 654 HG12 VAL 654 -12.164 20.736 -20.209 91 HG13 VAL 654 HG13 VAL 654 -11.479 19.688 -18.968 92 HG21 VAL 654 HG21 VAL 654 -13.181 22.866 -18.282 93 HG22 VAL 654 HG22 VAL 654 -14.769 22.175 -17.944 94 HG23 VAL 654 HG23 VAL 654 -14.160 22.220 -19.599 95 H SER 655 HN SER 655 -15.559 17.490 -18.433 96 HA SER 655 HA SER 655 -15.245 15.347 -17.790 97 HB2 SER 655 HB2 SER 655 -12.414 15.749 -18.784 98 HB3 SER 655 HB1 SER 655 -13.211 14.200 -18.509 99 HG SER 655 HG SER 655 -13.326 15.833 -20.664 100 H HIS 656 HN HIS 656 -11.919 16.290 -17.091 101 HA HIS 656 HA HIS 656 -12.465 16.242 -14.218 102 HB2 HIS 656 HB2 HIS 656 -11.742 13.957 -14.854 103 HB3 HIS 656 HB1 HIS 656 -10.282 14.623 -15.572 104 HD1 HIS 656 HD1 HIS 656 -11.773 13.591 -12.345 105 HD2 HIS 656 HD2 HIS 656 -8.358 15.549 -13.683 106 HE1 HIS 656 HE1 HIS 656 -10.181 13.584 -10.398 107 HE2 HIS 656 HE2 HIS 656 -8.159 14.857 -11.200 108 H GLN 657 HN GLN 657 -11.941 18.316 -13.798 109 HA GLN 657 HA GLN 657 -9.474 19.385 -14.992 110 HB2 GLN 657 HB2 GLN 657 -10.428 21.621 -14.585 111 HB3 GLN 657 HB1 GLN 657 -11.454 20.647 -15.628 112 HG2 GLN 657 HG2 GLN 657 -12.949 20.186 -13.792 113 HG3 GLN 657 HG1 GLN 657 -11.893 21.052 -12.679 114 HE21 GLN 657 HE21 GLN 657 -14.176 21.334 -15.272 115 HE22 GLN 657 HE22 GLN 657 -14.455 23.037 -15.113 116 H ARG 658 HN ARG 658 -8.659 21.308 -13.520 117 HA ARG 658 HA ARG 658 -7.491 21.884 -11.670 118 HB2 ARG 658 HB2 ARG 658 -9.790 20.562 -10.220 119 HB3 ARG 658 HB1 ARG 658 -8.609 21.640 -9.492 120 HG2 ARG 658 HG2 ARG 658 -9.385 23.455 -10.945 121 HG3 ARG 658 HG1 ARG 658 -10.588 22.366 -11.640 122 HD2 ARG 658 HD2 ARG 658 -10.404 23.267 -8.769 123 HD3 ARG 658 HD1 ARG 658 -11.625 23.741 -9.948 124 HE ARG 658 HE ARG 658 -11.693 20.964 -9.752 125 HH11 ARG 658 HH11 ARG 658 -12.338 23.759 -7.757 126 HH12 ARG 658 HH12 ARG 658 -13.487 22.936 -6.756 127 HH21 ARG 658 HH21 ARG 658 -13.210 19.869 -8.434 128 HH22 ARG 658 HH22 ARG 658 -13.995 20.729 -7.148 129 H MET 659 HN MET 659 -5.957 20.227 -12.480 130 HA MET 659 HA MET 659 -5.820 17.774 -10.948 131 HB2 MET 659 HB2 MET 659 -3.873 17.235 -12.262 132 HB3 MET 659 HB1 MET 659 -5.120 17.849 -13.337 133 HG2 MET 659 HG2 MET 659 -4.012 20.002 -13.434 134 HG3 MET 659 HG1 MET 659 -2.790 19.441 -12.295 135 HE1 MET 659 HE1 MET 659 -0.844 20.148 -13.902 136 HE2 MET 659 HE2 MET 659 -2.020 20.764 -15.063 137 HE3 MET 659 HE3 MET 659 -0.740 19.675 -15.597 138 H GLY 660 HN GLY 660 -3.928 17.215 -9.671 139 HA2 GLY 660 HA2 GLY 660 -2.092 19.192 -8.790 140 HA3 GLY 660 HA1 GLY 660 -3.420 19.041 -7.648 141 H THR 661 HN THR 661 -0.680 17.457 -9.092 142 HA THR 661 HA THR 661 -0.980 15.042 -7.569 143 HB THR 661 HB THR 661 1.527 14.838 -8.426 144 HG1 THR 661 HG1 THR 661 2.054 16.468 -9.656 145 HG21 THR 661 HG21 THR 661 -0.320 13.392 -9.108 146 HG22 THR 661 HG22 THR 661 0.657 13.852 -10.502 147 HG23 THR 661 HG23 THR 661 -0.897 14.635 -10.218 148 HA PRO 662 HA PRO 662 0.848 16.792 -3.866 149 HB2 PRO 662 HB2 PRO 662 0.884 13.966 -3.018 150 HB3 PRO 662 HB1 PRO 662 0.100 15.355 -2.261 151 HG2 PRO 662 HG2 PRO 662 -1.320 13.465 -3.521 152 HG3 PRO 662 HG1 PRO 662 -1.789 15.174 -3.575 153 HD2 PRO 662 HD2 PRO 662 -0.396 13.523 -5.645 154 HD3 PRO 662 HD1 PRO 662 -1.672 14.743 -5.844 155 H MET 663 HN MET 663 2.914 17.331 -3.926 156 HA MET 663 HA MET 663 5.175 17.256 -3.949 157 HB2 MET 663 HB2 MET 663 4.786 14.298 -3.448 158 HB3 MET 663 HB1 MET 663 6.326 15.136 -3.364 159 HG2 MET 663 HG2 MET 663 3.936 15.635 -1.610 160 HG3 MET 663 HG1 MET 663 5.410 14.784 -1.154 161 HE1 MET 663 HE1 MET 663 5.676 18.078 0.921 162 HE2 MET 663 HE2 MET 663 5.730 16.316 0.970 163 HE3 MET 663 HE3 MET 663 4.226 17.141 0.564 164 H VAL 664 HN VAL 664 7.090 15.814 -5.109 165 HA VAL 664 HA VAL 664 6.442 15.976 -7.890 166 HB VAL 664 HB VAL 664 8.688 16.551 -7.143 167 HG11 VAL 664 HG11 VAL 664 10.275 14.817 -6.420 168 HG12 VAL 664 HG12 VAL 664 8.955 13.648 -6.382 169 HG13 VAL 664 HG13 VAL 664 8.943 15.028 -5.285 170 HG21 VAL 664 HG21 VAL 664 8.670 14.121 -8.927 171 HG22 VAL 664 HG22 VAL 664 9.981 15.293 -8.801 172 HG23 VAL 664 HG23 VAL 664 8.412 15.790 -9.434 173 H GLU 665 HN GLU 665 6.870 13.367 -5.569 174 HA GLU 665 HA GLU 665 5.210 11.675 -7.194 175 HB2 GLU 665 HB2 GLU 665 7.477 11.244 -8.122 176 HB3 GLU 665 HB1 GLU 665 8.007 10.744 -6.523 177 HG2 GLU 665 HG2 GLU 665 7.521 8.822 -7.914 178 HG3 GLU 665 HG1 GLU 665 6.405 8.909 -6.552 179 H ASN 666 HN ASN 666 7.609 10.950 -4.659 180 HA ASN 666 HA ASN 666 7.403 9.915 -2.639 181 HB2 ASN 666 HB2 ASN 666 6.365 12.156 -2.151 182 HB3 ASN 666 HB1 ASN 666 4.791 11.442 -2.466 183 HD21 ASN 666 HD21 ASN 666 7.416 9.785 -0.822 184 HD22 ASN 666 HD22 ASN 666 6.649 9.725 0.722 185 H ASP 667 HN ASP 667 6.695 8.361 -4.724 186 HA ASP 667 HA ASP 667 5.612 6.498 -5.396 187 HB2 ASP 667 HB2 ASP 667 4.648 6.555 -2.544 188 HB3 ASP 667 HB1 ASP 667 4.097 5.328 -3.677 189 H SER 668 HN SER 668 3.861 6.109 -6.623 190 HA SER 668 HA SER 668 1.842 8.161 -6.754 191 HB2 SER 668 HB2 SER 668 2.082 5.606 -8.360 192 HB3 SER 668 HB1 SER 668 1.091 7.008 -8.760 193 HG SER 668 HG SER 668 3.413 8.053 -8.493 194 H GLY 669 HN GLY 669 1.778 6.753 -4.335 195 HA2 GLY 669 HA2 GLY 669 0.170 5.903 -2.921 196 HA3 GLY 669 HA1 GLY 669 -0.912 5.748 -4.302 197 H TYR 670 HN TYR 670 -1.334 3.788 -4.961 198 HA TYR 670 HA TYR 670 0.642 1.669 -4.627 199 HB2 TYR 670 HB2 TYR 670 -2.190 1.658 -3.599 200 HB3 TYR 670 HB1 TYR 670 -1.328 0.168 -3.944 201 HD1 TYR 670 HD1 TYR 670 -1.280 3.220 -1.843 202 HD2 TYR 670 HD2 TYR 670 0.246 -0.710 -2.403 203 HE1 TYR 670 HE1 TYR 670 -0.274 3.299 0.398 204 HE2 TYR 670 HE2 TYR 670 1.260 -0.639 -0.165 205 HH TYR 670 HH TYR 670 2.038 1.087 1.446 206 H LYS 671 HN LYS 671 0.157 -0.210 -5.999 207 HA LYS 671 HA LYS 671 -1.087 0.712 -8.485 208 HB2 LYS 671 HB2 LYS 671 0.909 -1.495 -7.958 209 HB3 LYS 671 HB1 LYS 671 0.198 -1.167 -9.533 210 HG2 LYS 671 HG2 LYS 671 1.138 1.137 -9.399 211 HG3 LYS 671 HG1 LYS 671 1.968 0.658 -7.920 212 HD2 LYS 671 HD2 LYS 671 2.330 -0.922 -10.438 213 HD3 LYS 671 HD1 LYS 671 3.228 0.574 -10.193 214 HE2 LYS 671 HE2 LYS 671 4.650 -1.142 -9.442 215 HE3 LYS 671 HE1 LYS 671 3.990 -0.410 -7.986 216 HZ1 LYS 671 HZ1 LYS 671 2.880 -2.867 -9.215 217 HZ2 LYS 671 HZ2 LYS 671 2.527 -2.231 -7.688 218 HZ3 LYS 671 HZ3 LYS 671 4.054 -2.884 -8.000 219 H LEU 672 HN LEU 672 -2.634 -0.467 -9.546 220 HA LEU 672 HA LEU 672 -4.230 -2.180 -7.866 221 HB2 LEU 672 HB2 LEU 672 -4.660 -1.338 -10.733 222 HB3 LEU 672 HB1 LEU 672 -5.838 -2.140 -9.711 223 HG LEU 672 HG LEU 672 -4.756 0.656 -9.392 224 HD11 LEU 672 HD11 LEU 672 -7.516 -0.413 -9.941 225 HD12 LEU 672 HD12 LEU 672 -6.470 0.430 -11.083 226 HD13 LEU 672 HD13 LEU 672 -7.106 1.282 -9.677 227 HD21 LEU 672 HD21 LEU 672 -6.585 -0.899 -7.570 228 HD22 LEU 672 HD22 LEU 672 -6.255 0.829 -7.450 229 HD23 LEU 672 HD23 LEU 672 -4.956 -0.336 -7.195 230 H GLY 673 HN GLY 673 -4.606 -4.327 -8.106 231 HA2 GLY 673 HA2 GLY 673 -4.293 -6.480 -8.973 232 HA3 GLY 673 HA1 GLY 673 -3.256 -5.805 -10.226 233 H GLN 674 HN GLN 674 -2.550 -4.605 -7.180 234 HA GLN 674 HA GLN 674 -0.100 -6.182 -7.071 235 HB2 GLN 674 HB2 GLN 674 -0.047 -3.682 -6.985 236 HB3 GLN 674 HB1 GLN 674 -0.900 -3.764 -5.455 237 HG2 GLN 674 HG2 GLN 674 0.964 -4.937 -4.448 238 HG3 GLN 674 HG1 GLN 674 1.815 -4.926 -5.994 239 HE21 GLN 674 HE21 GLN 674 0.778 -3.014 -3.282 240 HE22 GLN 674 HE22 GLN 674 1.741 -1.624 -3.643 241 H ARG 675 HN ARG 675 0.513 -7.355 -5.310 242 HA ARG 675 HA ARG 675 -1.640 -8.144 -3.490 243 HB2 ARG 675 HB2 ARG 675 -0.562 -9.939 -4.759 244 HB3 ARG 675 HB1 ARG 675 1.009 -9.460 -4.140 245 HG2 ARG 675 HG2 ARG 675 0.261 -11.414 -2.977 246 HG3 ARG 675 HG1 ARG 675 0.260 -10.047 -1.866 247 HD2 ARG 675 HD2 ARG 675 -1.727 -11.442 -1.586 248 HD3 ARG 675 HD1 ARG 675 -2.146 -9.817 -2.120 249 HE ARG 675 HE ARG 675 -2.511 -10.740 -4.343 250 HH11 ARG 675 HH11 ARG 675 -2.296 -13.061 -1.720 251 HH12 ARG 675 HH12 ARG 675 -3.253 -14.253 -2.533 252 HH21 ARG 675 HH21 ARG 675 -3.779 -12.318 -5.402 253 HH22 ARG 675 HH22 ARG 675 -4.099 -13.832 -4.619 254 H VAL 676 HN VAL 676 -1.631 -7.492 -1.454 255 HA VAL 676 HA VAL 676 0.849 -6.311 -0.364 256 HB VAL 676 HB VAL 676 -0.591 -4.912 1.065 257 HG11 VAL 676 HG11 VAL 676 0.215 -4.034 -1.076 258 HG12 VAL 676 HG12 VAL 676 -1.348 -3.353 -0.621 259 HG13 VAL 676 HG13 VAL 676 -1.257 -4.612 -1.856 260 HG21 VAL 676 HG21 VAL 676 -2.529 -6.419 1.133 261 HG22 VAL 676 HG22 VAL 676 -2.875 -6.029 -0.556 262 HG23 VAL 676 HG23 VAL 676 -2.984 -4.773 0.678 263 H ARG 677 HN ARG 677 1.060 -6.451 1.984 264 HA ARG 677 HA ARG 677 -0.461 -8.644 3.191 265 HB2 ARG 677 HB2 ARG 677 1.685 -9.539 2.406 266 HB3 ARG 677 HB1 ARG 677 2.537 -8.311 3.331 267 HG2 ARG 677 HG2 ARG 677 1.834 -9.250 5.386 268 HG3 ARG 677 HG1 ARG 677 0.697 -10.328 4.573 269 HD2 ARG 677 HD2 ARG 677 2.546 -11.512 3.529 270 HD3 ARG 677 HD1 ARG 677 3.700 -10.408 4.276 271 HE ARG 677 HE ARG 677 2.804 -11.296 6.454 272 HH11 ARG 677 HH11 ARG 677 2.630 -13.222 3.528 273 HH12 ARG 677 HH12 ARG 677 2.785 -14.734 4.373 274 HH21 ARG 677 HH21 ARG 677 2.973 -13.276 7.562 275 HH22 ARG 677 HH22 ARG 677 2.959 -14.762 6.670 276 H HIS 678 HN HIS 678 -1.211 -8.216 5.128 277 HA HIS 678 HA HIS 678 0.233 -6.368 6.893 278 HB2 HIS 678 HB2 HIS 678 -2.203 -5.691 5.581 279 HB3 HIS 678 HB1 HIS 678 -2.572 -5.949 7.284 280 HD1 HIS 678 HD1 HIS 678 -2.886 -3.535 7.961 281 HD2 HIS 678 HD2 HIS 678 0.742 -4.217 6.053 282 HE1 HIS 678 HE1 HIS 678 -1.590 -1.394 8.190 283 HE2 HIS 678 HE2 HIS 678 0.518 -1.769 6.859 284 H ALA 679 HN ALA 679 -0.208 -6.755 9.144 285 HA ALA 679 HA ALA 679 -0.428 -9.588 9.529 286 HB1 ALA 679 HB1 ALA 679 0.049 -7.416 11.560 287 HB2 ALA 679 HB2 ALA 679 1.301 -8.255 10.643 288 HB3 ALA 679 HB3 ALA 679 0.305 -9.145 11.795 289 H LYS 680 HN LYS 680 -2.502 -6.862 10.054 290 HA LYS 680 HA LYS 680 -4.178 -8.296 11.938 291 HB2 LYS 680 HB2 LYS 680 -4.153 -5.520 10.836 292 HB3 LYS 680 HB1 LYS 680 -5.616 -6.135 11.581 293 HG2 LYS 680 HG2 LYS 680 -4.338 -4.882 13.192 294 HG3 LYS 680 HG1 LYS 680 -4.372 -6.582 13.645 295 HD2 LYS 680 HD2 LYS 680 -2.116 -6.841 12.653 296 HD3 LYS 680 HD1 LYS 680 -2.093 -5.104 12.340 297 HE2 LYS 680 HE2 LYS 680 -2.346 -4.671 14.732 298 HE3 LYS 680 HE1 LYS 680 -2.370 -6.404 15.044 299 HZ1 LYS 680 HZ1 LYS 680 -0.097 -4.900 13.869 300 HZ2 LYS 680 HZ2 LYS 680 -0.120 -6.560 14.194 301 HZ3 LYS 680 HZ3 LYS 680 -0.195 -5.449 15.465 302 H PHE 681 HN PHE 681 -4.312 -7.291 8.564 303 HA PHE 681 HA PHE 681 -6.994 -8.479 8.365 304 HB2 PHE 681 HB2 PHE 681 -5.588 -6.465 6.613 305 HB3 PHE 681 HB1 PHE 681 -7.099 -7.238 6.163 306 HD1 PHE 681 HD1 PHE 681 -7.653 -7.047 9.457 307 HD2 PHE 681 HD2 PHE 681 -7.025 -4.403 6.182 308 HE1 PHE 681 HE1 PHE 681 -8.924 -5.300 10.628 309 HE2 PHE 681 HE2 PHE 681 -8.289 -2.649 7.354 310 HZ PHE 681 HZ PHE 681 -9.241 -3.096 9.579 311 H GLY 682 HN GLY 682 -3.780 -9.127 7.632 312 HA2 GLY 682 HA2 GLY 682 -3.006 -11.109 6.643 313 HA3 GLY 682 HA1 GLY 682 -4.583 -11.327 5.895 314 H GLU 683 HN GLU 683 -3.490 -11.767 3.913 315 HA GLU 683 HA GLU 683 -2.232 -9.450 2.642 316 HB2 GLU 683 HB2 GLU 683 -2.280 -12.313 1.688 317 HB3 GLU 683 HB1 GLU 683 -1.331 -10.990 1.021 318 HG2 GLU 683 HG2 GLU 683 0.076 -10.915 2.879 319 HG3 GLU 683 HG1 GLU 683 -1.010 -11.909 3.844 320 H GLY 684 HN GLY 684 -2.971 -8.688 0.682 321 HA2 GLY 684 HA2 GLY 684 -5.444 -9.833 -0.383 322 HA3 GLY 684 HA1 GLY 684 -5.549 -8.208 0.274 323 H THR 685 HN THR 685 -6.253 -8.537 -2.277 324 HA THR 685 HA THR 685 -3.946 -7.502 -3.787 325 HB THR 685 HB THR 685 -6.452 -8.767 -4.913 326 HG1 THR 685 HG1 THR 685 -5.319 -10.432 -4.029 327 HG21 THR 685 HG21 THR 685 -3.842 -7.987 -6.223 328 HG22 THR 685 HG22 THR 685 -5.389 -7.164 -6.427 329 HG23 THR 685 HG23 THR 685 -5.183 -8.813 -7.015 330 H ILE 686 HN ILE 686 -4.015 -5.430 -4.329 331 HA ILE 686 HA ILE 686 -6.279 -3.806 -3.664 332 HB ILE 686 HB ILE 686 -3.888 -2.972 -5.307 333 HG12 ILE 686 HG12 ILE 686 -4.183 -2.961 -2.292 334 HG13 ILE 686 HG11 ILE 686 -3.155 -4.062 -3.205 335 HG21 ILE 686 HG21 ILE 686 -5.750 -1.396 -5.283 336 HG22 ILE 686 HG22 ILE 686 -4.376 -0.754 -4.383 337 HG23 ILE 686 HG23 ILE 686 -5.761 -1.422 -3.519 338 HD11 ILE 686 HD11 ILE 686 -2.868 -1.070 -3.070 339 HD12 ILE 686 HD12 ILE 686 -1.845 -2.161 -4.006 340 HD13 ILE 686 HD13 ILE 686 -1.859 -2.258 -2.245 341 H VAL 687 HN VAL 687 -8.065 -3.977 -4.902 342 HA VAL 687 HA VAL 687 -7.761 -4.495 -7.757 343 HB VAL 687 HB VAL 687 -10.205 -4.907 -7.739 344 HG11 VAL 687 HG11 VAL 687 -8.652 -6.749 -7.409 345 HG12 VAL 687 HG12 VAL 687 -10.109 -6.992 -6.445 346 HG13 VAL 687 HG13 VAL 687 -8.623 -6.434 -5.674 347 HG21 VAL 687 HG21 VAL 687 -9.965 -4.478 -4.760 348 HG22 VAL 687 HG22 VAL 687 -11.397 -5.051 -5.616 349 HG23 VAL 687 HG23 VAL 687 -10.801 -3.413 -5.889 350 H ASN 688 HN ASN 688 -8.682 -1.954 -5.599 351 HA ASN 688 HA ASN 688 -8.932 -0.131 -7.845 352 HB2 ASN 688 HB2 ASN 688 -11.250 -1.040 -7.417 353 HB3 ASN 688 HB1 ASN 688 -11.165 -0.320 -5.818 354 HD21 ASN 688 HD21 ASN 688 -9.937 1.064 -8.827 355 HD22 ASN 688 HD22 ASN 688 -11.003 2.425 -8.829 356 H MET 689 HN MET 689 -9.068 2.141 -7.080 357 HA MET 689 HA MET 689 -8.414 2.645 -4.319 358 HB2 MET 689 HB2 MET 689 -6.319 3.811 -4.756 359 HB3 MET 689 HB1 MET 689 -6.195 2.138 -5.267 360 HG2 MET 689 HG2 MET 689 -5.151 3.271 -6.976 361 HG3 MET 689 HG1 MET 689 -6.779 3.043 -7.609 362 HE1 MET 689 HE1 MET 689 -4.222 5.540 -6.035 363 HE2 MET 689 HE2 MET 689 -5.557 5.686 -4.890 364 HE3 MET 689 HE3 MET 689 -5.150 7.037 -5.948 365 H GLU 690 HN GLU 690 -8.284 5.013 -3.904 366 HA GLU 690 HA GLU 690 -9.514 6.680 -5.958 367 HB2 GLU 690 HB2 GLU 690 -11.258 7.469 -4.358 368 HB3 GLU 690 HB1 GLU 690 -11.463 5.794 -4.855 369 HG2 GLU 690 HG2 GLU 690 -10.452 5.056 -2.754 370 HG3 GLU 690 HG1 GLU 690 -10.266 6.738 -2.261 371 H GLY 691 HN GLY 691 -9.351 8.939 -5.513 372 HA2 GLY 691 HA2 GLY 691 -8.544 10.842 -4.477 373 HA3 GLY 691 HA1 GLY 691 -8.070 9.855 -3.103 374 H SER 692 HN SER 692 -6.128 11.142 -3.070 375 HA SER 692 HA SER 692 -3.991 9.888 -4.508 376 HB2 SER 692 HB2 SER 692 -4.790 11.558 -6.174 377 HB3 SER 692 HB1 SER 692 -4.509 12.837 -4.994 378 HG SER 692 HG SER 692 -2.662 11.258 -6.398 379 H GLY 693 HN GLY 693 -1.978 10.294 -3.569 380 HA2 GLY 693 HA2 GLY 693 -0.459 10.942 -1.989 381 HA3 GLY 693 HA1 GLY 693 -1.390 12.419 -1.832 382 H GLU 694 HN GLU 694 -1.858 12.796 0.189 383 HA GLU 694 HA GLU 694 -1.832 10.691 2.147 384 HB2 GLU 694 HB2 GLU 694 -2.314 13.656 2.416 385 HB3 GLU 694 HB1 GLU 694 -2.148 12.541 3.764 386 HG2 GLU 694 HG2 GLU 694 0.127 12.041 3.109 387 HG3 GLU 694 HG1 GLU 694 -0.030 13.078 1.692 388 H HIS 695 HN HIS 695 -4.208 12.223 0.263 389 HA HIS 695 HA HIS 695 -6.291 11.281 2.113 390 HB2 HIS 695 HB2 HIS 695 -7.855 12.798 0.925 391 HB3 HIS 695 HB1 HIS 695 -6.534 13.649 1.709 392 HD1 HIS 695 HD1 HIS 695 -5.055 15.089 0.257 393 HD2 HIS 695 HD2 HIS 695 -7.701 12.759 -1.942 394 HE1 HIS 695 HE1 HIS 695 -4.909 15.945 -2.100 395 HE2 HIS 695 HE2 HIS 695 -6.611 14.605 -3.387 396 H SER 696 HN SER 696 -4.825 9.560 0.415 397 HA SER 696 HA SER 696 -6.793 8.813 -1.625 398 HB2 SER 696 HB2 SER 696 -5.025 7.295 -2.474 399 HB3 SER 696 HB1 SER 696 -4.485 8.973 -2.418 400 HG SER 696 HG SER 696 -3.128 8.510 -0.823 401 H ARG 697 HN ARG 697 -7.768 6.809 -1.639 402 HA ARG 697 HA ARG 697 -7.259 5.084 0.695 403 HB2 ARG 697 HB2 ARG 697 -9.934 5.615 -0.609 404 HB3 ARG 697 HB1 ARG 697 -9.645 4.465 0.684 405 HG2 ARG 697 HG2 ARG 697 -9.013 6.290 2.174 406 HG3 ARG 697 HG1 ARG 697 -9.300 7.448 0.871 407 HD2 ARG 697 HD2 ARG 697 -11.634 6.742 0.755 408 HD3 ARG 697 HD1 ARG 697 -11.352 5.581 2.049 409 HE ARG 697 HE ARG 697 -10.615 7.932 3.165 410 HH11 ARG 697 HH11 ARG 697 -13.479 6.885 1.454 411 HH12 ARG 697 HH12 ARG 697 -14.541 7.945 2.325 412 HH21 ARG 697 HH21 ARG 697 -12.016 9.320 4.322 413 HH22 ARG 697 HH22 ARG 697 -13.714 9.324 3.956 414 H LEU 698 HN LEU 698 -7.461 2.860 0.328 415 HA LEU 698 HA LEU 698 -7.461 2.079 -2.515 416 HB2 LEU 698 HB2 LEU 698 -6.191 0.523 -0.276 417 HB3 LEU 698 HB1 LEU 698 -5.941 0.343 -2.000 418 HG LEU 698 HG LEU 698 -5.054 2.764 -0.443 419 HD11 LEU 698 HD11 LEU 698 -3.484 0.316 -1.240 420 HD12 LEU 698 HD12 LEU 698 -3.935 0.773 0.403 421 HD13 LEU 698 HD13 LEU 698 -2.819 1.781 -0.517 422 HD21 LEU 698 HD21 LEU 698 -3.635 3.135 -2.412 423 HD22 LEU 698 HD22 LEU 698 -5.348 3.144 -2.828 424 HD23 LEU 698 HD23 LEU 698 -4.360 1.729 -3.193 425 H GLN 699 HN GLN 699 -8.710 0.312 -3.102 426 HA GLN 699 HA GLN 699 -10.244 -0.941 -0.930 427 HB2 GLN 699 HB2 GLN 699 -10.882 -0.483 -3.822 428 HB3 GLN 699 HB1 GLN 699 -11.639 -1.821 -2.960 429 HG2 GLN 699 HG2 GLN 699 -12.375 -0.195 -1.235 430 HG3 GLN 699 HG1 GLN 699 -11.780 1.100 -2.271 431 HE21 GLN 699 HE21 GLN 699 -12.620 -0.321 -4.714 432 HE22 GLN 699 HE22 GLN 699 -14.334 -0.136 -4.789 433 H VAL 700 HN VAL 700 -9.104 -2.518 -0.230 434 HA VAL 700 HA VAL 700 -7.536 -4.156 -2.095 435 HB VAL 700 HB VAL 700 -7.370 -4.149 0.919 436 HG11 VAL 700 HG11 VAL 700 -6.467 -6.131 -0.162 437 HG12 VAL 700 HG12 VAL 700 -5.176 -5.157 0.541 438 HG13 VAL 700 HG13 VAL 700 -5.460 -5.121 -1.199 439 HG21 VAL 700 HG21 VAL 700 -6.870 -1.906 0.106 440 HG22 VAL 700 HG22 VAL 700 -5.701 -2.570 -1.035 441 HG23 VAL 700 HG23 VAL 700 -5.409 -2.698 0.700 442 H ALA 701 HN ALA 701 -8.269 -6.083 -2.642 443 HA ALA 701 HA ALA 701 -10.448 -7.304 -1.171 444 HB1 ALA 701 HB1 ALA 701 -10.474 -8.938 -2.975 445 HB2 ALA 701 HB2 ALA 701 -8.977 -8.269 -3.625 446 HB3 ALA 701 HB3 ALA 701 -10.450 -7.301 -3.633 447 H PHE 702 HN PHE 702 -9.582 -7.967 0.779 448 HA PHE 702 HA PHE 702 -7.148 -9.470 0.916 449 HB2 PHE 702 HB2 PHE 702 -9.332 -8.930 2.929 450 HB3 PHE 702 HB1 PHE 702 -7.910 -9.902 3.296 451 HD1 PHE 702 HD1 PHE 702 -9.214 -6.562 2.833 452 HD2 PHE 702 HD2 PHE 702 -5.666 -8.872 3.254 453 HE1 PHE 702 HE1 PHE 702 -7.947 -4.518 3.353 454 HE2 PHE 702 HE2 PHE 702 -4.393 -6.832 3.773 455 HZ PHE 702 HZ PHE 702 -5.534 -4.650 3.825 456 H GLN 703 HN GLN 703 -6.844 -11.578 0.786 457 HA GLN 703 HA GLN 703 -8.744 -13.046 -0.668 458 HB2 GLN 703 HB2 GLN 703 -6.302 -14.119 0.746 459 HB3 GLN 703 HB1 GLN 703 -7.142 -14.858 -0.609 460 HG2 GLN 703 HG2 GLN 703 -5.658 -12.240 -0.665 461 HG3 GLN 703 HG1 GLN 703 -5.086 -13.773 -1.319 462 HE21 GLN 703 HE21 GLN 703 -7.700 -14.526 -2.352 463 HE22 GLN 703 HE22 GLN 703 -7.977 -13.537 -3.742 464 H GLY 704 HN GLY 704 -8.123 -12.879 2.748 465 HA2 GLY 704 HA2 GLY 704 -9.664 -15.315 3.230 466 HA3 GLY 704 HA1 GLY 704 -8.745 -14.421 4.428 467 H GLN 705 HN GLN 705 -10.335 -12.052 2.890 468 HA GLN 705 HA GLN 705 -12.804 -12.382 4.443 469 HB2 GLN 705 HB2 GLN 705 -11.004 -9.958 4.533 470 HB3 GLN 705 HB1 GLN 705 -12.640 -9.997 5.171 471 HG2 GLN 705 HG2 GLN 705 -11.984 -11.751 6.742 472 HG3 GLN 705 HG1 GLN 705 -10.340 -11.696 6.106 473 HE21 GLN 705 HE21 GLN 705 -12.731 -10.073 8.021 474 HE22 GLN 705 HE22 GLN 705 -11.668 -8.904 8.725 475 H GLY 706 HN GLY 706 -11.501 -9.590 2.670 476 HA2 GLY 706 HA2 GLY 706 -12.778 -9.895 0.257 477 HA3 GLY 706 HA1 GLY 706 -13.988 -9.201 1.326 478 H ILE 707 HN ILE 707 -13.911 -7.432 -0.236 479 HA ILE 707 HA ILE 707 -11.542 -5.837 -0.456 480 HB ILE 707 HB ILE 707 -14.381 -5.156 -1.233 481 HG12 ILE 707 HG12 ILE 707 -12.104 -6.262 -2.891 482 HG13 ILE 707 HG11 ILE 707 -13.529 -7.162 -2.382 483 HG21 ILE 707 HG21 ILE 707 -13.342 -3.481 -2.695 484 HG22 ILE 707 HG22 ILE 707 -11.761 -3.897 -2.034 485 HG23 ILE 707 HG23 ILE 707 -12.990 -3.176 -0.993 486 HD11 ILE 707 HD11 ILE 707 -14.941 -5.693 -3.709 487 HD12 ILE 707 HD12 ILE 707 -13.692 -6.444 -4.702 488 HD13 ILE 707 HD13 ILE 707 -13.524 -4.762 -4.198 489 H LYS 708 HN LYS 708 -10.882 -4.269 0.816 490 HA LYS 708 HA LYS 708 -12.790 -3.044 2.696 491 HB2 LYS 708 HB2 LYS 708 -9.957 -3.946 3.203 492 HB3 LYS 708 HB1 LYS 708 -10.827 -2.859 4.274 493 HG2 LYS 708 HG2 LYS 708 -12.487 -4.564 4.706 494 HG3 LYS 708 HG1 LYS 708 -11.698 -5.651 3.559 495 HD2 LYS 708 HD2 LYS 708 -9.683 -5.649 4.953 496 HD3 LYS 708 HD1 LYS 708 -10.479 -4.568 6.099 497 HE2 LYS 708 HE2 LYS 708 -11.382 -7.351 5.371 498 HE3 LYS 708 HE1 LYS 708 -10.547 -6.893 6.856 499 HZ1 LYS 708 HZ1 LYS 708 -12.883 -7.029 7.288 500 HZ2 LYS 708 HZ2 LYS 708 -13.248 -6.008 5.993 501 HZ3 LYS 708 HZ3 LYS 708 -12.436 -5.400 7.348 502 H TRP 709 HN TRP 709 -12.186 -0.919 3.419 503 HA TRP 709 HA TRP 709 -10.801 0.583 1.330 504 HB2 TRP 709 HB2 TRP 709 -11.944 2.566 2.337 505 HB3 TRP 709 HB1 TRP 709 -13.057 1.341 1.742 506 HD1 TRP 709 HD1 TRP 709 -14.022 -0.374 3.793 507 HE1 TRP 709 HE1 TRP 709 -14.767 0.283 6.161 508 HE3 TRP 709 HE3 TRP 709 -11.674 4.147 4.133 509 HZ2 TRP 709 HZ2 TRP 709 -14.419 2.460 7.941 510 HZ3 TRP 709 HZ3 TRP 709 -11.934 5.462 6.200 511 HH2 TRP 709 HH2 TRP 709 -13.278 4.633 8.063 512 H LEU 710 HN LEU 710 -8.749 0.984 1.700 513 HA LEU 710 HA LEU 710 -7.871 1.481 4.472 514 HB2 LEU 710 HB2 LEU 710 -6.502 0.085 2.190 515 HB3 LEU 710 HB1 LEU 710 -5.575 0.778 3.502 516 HG LEU 710 HG LEU 710 -5.824 -1.568 3.901 517 HD11 LEU 710 HD11 LEU 710 -7.715 -0.088 5.723 518 HD12 LEU 710 HD12 LEU 710 -5.955 -0.073 5.850 519 HD13 LEU 710 HD13 LEU 710 -6.843 -1.577 6.087 520 HD21 LEU 710 HD21 LEU 710 -8.029 -2.623 4.179 521 HD22 LEU 710 HD22 LEU 710 -7.761 -2.035 2.536 522 HD23 LEU 710 HD23 LEU 710 -8.795 -1.128 3.643 523 H VAL 711 HN VAL 711 -7.476 3.593 4.766 524 HA VAL 711 HA VAL 711 -6.889 5.440 2.708 525 HB VAL 711 HB VAL 711 -6.142 5.678 5.633 526 HG11 VAL 711 HG11 VAL 711 -6.231 8.091 5.222 527 HG12 VAL 711 HG12 VAL 711 -6.576 7.787 3.520 528 HG13 VAL 711 HG13 VAL 711 -5.023 7.306 4.204 529 HG21 VAL 711 HG21 VAL 711 -8.521 5.197 5.390 530 HG22 VAL 711 HG22 VAL 711 -8.680 6.521 4.235 531 HG23 VAL 711 HG23 VAL 711 -8.266 6.861 5.915 532 H ALA 712 HN ALA 712 -5.141 5.308 1.453 533 HA ALA 712 HA ALA 712 -3.168 3.428 1.736 534 HB1 ALA 712 HB1 ALA 712 -3.768 4.529 -0.367 535 HB2 ALA 712 HB2 ALA 712 -2.025 4.515 -0.095 536 HB3 ALA 712 HB3 ALA 712 -2.948 5.992 0.179 537 H ALA 713 HN ALA 713 -2.909 6.864 2.561 538 HA ALA 713 HA ALA 713 -0.147 6.845 3.104 539 HB1 ALA 713 HB1 ALA 713 -0.513 9.009 4.139 540 HB2 ALA 713 HB2 ALA 713 -2.252 8.719 4.171 541 HB3 ALA 713 HB3 ALA 713 -1.412 8.878 2.630 542 H TYR 714 HN TYR 714 -2.892 5.956 5.054 543 HA TYR 714 HA TYR 714 -1.127 5.710 7.398 544 HB2 TYR 714 HB2 TYR 714 -4.132 6.024 7.268 545 HB3 TYR 714 HB1 TYR 714 -3.221 5.740 8.749 546 HD1 TYR 714 HD1 TYR 714 -1.664 7.463 9.589 547 HD2 TYR 714 HD2 TYR 714 -4.203 8.193 6.259 548 HE1 TYR 714 HE1 TYR 714 -1.269 9.875 9.827 549 HE2 TYR 714 HE2 TYR 714 -3.817 10.611 6.485 550 HH TYR 714 HH TYR 714 -3.135 12.213 8.212 551 H ALA 715 HN ALA 715 -2.314 3.961 4.972 552 HA ALA 715 HA ALA 715 -3.077 1.587 6.432 553 HB1 ALA 715 HB1 ALA 715 -2.526 1.966 3.486 554 HB2 ALA 715 HB2 ALA 715 -4.105 2.111 4.258 555 HB3 ALA 715 HB3 ALA 715 -3.276 0.553 4.231 556 H ARG 716 HN ARG 716 -0.427 2.602 4.309 557 HA ARG 716 HA ARG 716 1.679 1.829 4.007 558 HB2 ARG 716 HB2 ARG 716 1.447 1.359 6.983 559 HB3 ARG 716 HB1 ARG 716 2.954 1.346 6.082 560 HG2 ARG 716 HG2 ARG 716 1.159 3.743 6.070 561 HG3 ARG 716 HG1 ARG 716 2.316 3.467 7.369 562 HD2 ARG 716 HD2 ARG 716 3.304 4.932 5.739 563 HD3 ARG 716 HD1 ARG 716 4.127 3.380 5.683 564 HE ARG 716 HE ARG 716 2.777 2.911 3.659 565 HH11 ARG 716 HH11 ARG 716 3.322 6.235 4.633 566 HH12 ARG 716 HH12 ARG 716 3.113 6.868 3.032 567 HH21 ARG 716 HH21 ARG 716 2.490 3.750 1.558 568 HH22 ARG 716 HH22 ARG 716 2.639 5.456 1.286 569 H LEU 717 HN LEU 717 0.495 0.088 2.823 570 HA LEU 717 HA LEU 717 0.656 -2.555 4.011 571 HB2 LEU 717 HB2 LEU 717 -0.369 -1.430 1.444 572 HB3 LEU 717 HB1 LEU 717 0.071 -3.121 1.490 573 HG LEU 717 HG LEU 717 -2.334 -2.790 1.827 574 HD11 LEU 717 HD11 LEU 717 -1.250 -4.723 2.852 575 HD12 LEU 717 HD12 LEU 717 -2.601 -4.147 3.825 576 HD13 LEU 717 HD13 LEU 717 -0.946 -3.782 4.311 577 HD21 LEU 717 HD21 LEU 717 -3.176 -1.762 3.865 578 HD22 LEU 717 HD22 LEU 717 -2.275 -0.605 2.885 579 HD23 LEU 717 HD23 LEU 717 -1.534 -1.310 4.322 580 H GLU 718 HN GLU 718 1.998 -4.220 3.178 581 HA GLU 718 HA GLU 718 4.358 -3.213 1.735 582 HB2 GLU 718 HB2 GLU 718 4.721 -4.009 4.098 583 HB3 GLU 718 HB1 GLU 718 4.230 -5.612 3.570 584 HG2 GLU 718 HG2 GLU 718 6.089 -5.610 1.951 585 HG3 GLU 718 HG1 GLU 718 6.604 -4.048 2.585 586 H SER 719 HN SER 719 4.723 -4.051 -0.215 587 HA SER 719 HA SER 719 3.022 -5.982 -1.387 588 HB2 SER 719 HB2 SER 719 5.757 -5.056 -2.302 589 HB3 SER 719 HB1 SER 719 4.542 -5.857 -3.296 590 HG SER 719 HG SER 719 4.017 -3.852 -3.720 591 H VAL 720 HN VAL 720 3.087 -8.134 -1.236 592 HA VAL 720 HA VAL 720 5.487 -9.323 -0.053 593 HB VAL 720 HB VAL 720 3.613 -9.655 1.368 594 HG11 VAL 720 HG11 VAL 720 2.146 -10.751 -1.021 595 HG12 VAL 720 HG12 VAL 720 1.800 -9.249 -0.164 596 HG13 VAL 720 HG13 VAL 720 1.557 -10.800 0.640 597 HG21 VAL 720 HG21 VAL 720 4.147 -12.199 -0.153 598 HG22 VAL 720 HG22 VAL 720 3.457 -12.095 1.466 599 HG23 VAL 720 HG23 VAL 720 5.111 -11.557 1.174 Start of MODEL 8 1 H1 ARG 645 HT1 ARG 645 -6.939 -7.894 21.894 2 H2 ARG 645 HT2 ARG 645 -7.380 -8.266 23.481 3 H3 ARG 645 HT3 ARG 645 -6.506 -6.859 23.157 4 HA ARG 645 HA ARG 645 -9.249 -7.427 22.209 5 HB2 ARG 645 HB2 ARG 645 -8.265 -5.617 24.421 6 HB3 ARG 645 HB1 ARG 645 -9.897 -5.583 23.775 7 HG2 ARG 645 HG2 ARG 645 -10.198 -7.922 24.491 8 HG3 ARG 645 HG1 ARG 645 -8.583 -7.883 25.203 9 HD2 ARG 645 HD2 ARG 645 -10.345 -7.482 26.873 10 HD3 ARG 645 HD1 ARG 645 -9.256 -6.106 26.708 11 HE ARG 645 HE ARG 645 -11.609 -5.922 25.060 12 HH11 ARG 645 HH11 ARG 645 -10.301 -5.292 28.247 13 HH12 ARG 645 HH12 ARG 645 -11.432 -4.024 28.598 14 HH21 ARG 645 HH21 ARG 645 -13.089 -4.246 25.517 15 HH22 ARG 645 HH22 ARG 645 -13.011 -3.424 27.043 16 H LEU 646 HN LEU 646 -6.407 -6.044 21.387 17 HA LEU 646 HA LEU 646 -5.757 -4.454 19.921 18 HB2 LEU 646 HB2 LEU 646 -8.649 -4.721 19.164 19 HB3 LEU 646 HB1 LEU 646 -7.626 -3.536 18.381 20 HG LEU 646 HG LEU 646 -6.116 -5.393 17.664 21 HD11 LEU 646 HD11 LEU 646 -8.337 -7.153 18.691 22 HD12 LEU 646 HD12 LEU 646 -6.713 -7.038 19.366 23 HD13 LEU 646 HD13 LEU 646 -6.948 -7.684 17.743 24 HD21 LEU 646 HD21 LEU 646 -7.756 -4.472 16.141 25 HD22 LEU 646 HD22 LEU 646 -8.992 -5.556 16.783 26 HD23 LEU 646 HD23 LEU 646 -7.613 -6.214 15.900 27 H ARG 647 HN ARG 647 -6.614 -3.681 22.612 28 HA ARG 647 HA ARG 647 -7.974 -1.164 22.405 29 HB2 ARG 647 HB2 ARG 647 -8.131 -2.617 24.404 30 HB3 ARG 647 HB1 ARG 647 -6.426 -2.339 24.721 31 HG2 ARG 647 HG2 ARG 647 -7.713 -0.948 26.170 32 HG3 ARG 647 HG1 ARG 647 -6.919 0.079 24.976 33 HD2 ARG 647 HD2 ARG 647 -8.964 0.285 23.725 34 HD3 ARG 647 HD1 ARG 647 -9.768 -0.885 24.769 35 HE ARG 647 HE ARG 647 -8.877 1.173 26.404 36 HH11 ARG 647 HH11 ARG 647 -11.121 0.771 23.748 37 HH12 ARG 647 HH12 ARG 647 -12.169 2.050 24.271 38 HH21 ARG 647 HH21 ARG 647 -10.269 2.842 27.111 39 HH22 ARG 647 HH22 ARG 647 -11.700 3.215 26.199 40 H ALA 648 HN ALA 648 -6.814 0.123 21.049 41 HA ALA 648 HA ALA 648 -5.350 1.726 20.441 42 HB1 ALA 648 HB1 ALA 648 -4.323 1.552 23.266 43 HB2 ALA 648 HB2 ALA 648 -5.665 2.556 22.721 44 HB3 ALA 648 HB3 ALA 648 -4.034 2.865 22.126 45 H THR 649 HN THR 649 -3.159 0.113 22.722 46 HA THR 649 HA THR 649 -1.137 -0.008 20.694 47 HB THR 649 HB THR 649 -0.437 0.514 22.933 48 HG1 THR 649 HG1 THR 649 1.310 -0.530 22.475 49 HG21 THR 649 HG21 THR 649 -1.500 -2.185 23.763 50 HG22 THR 649 HG22 THR 649 -2.190 -0.621 24.196 51 HG23 THR 649 HG23 THR 649 -0.592 -1.074 24.787 52 H VAL 650 HN VAL 650 -1.332 -1.461 19.143 53 HA VAL 650 HA VAL 650 -1.212 -4.247 19.723 54 HB VAL 650 HB VAL 650 -3.616 -3.937 20.038 55 HG11 VAL 650 HG11 VAL 650 -3.643 -2.964 17.193 56 HG12 VAL 650 HG12 VAL 650 -4.012 -2.013 18.631 57 HG13 VAL 650 HG13 VAL 650 -5.071 -3.339 18.154 58 HG21 VAL 650 HG21 VAL 650 -4.395 -5.682 18.539 59 HG22 VAL 650 HG22 VAL 650 -2.784 -6.053 19.148 60 HG23 VAL 650 HG23 VAL 650 -2.987 -5.437 17.507 61 H SER 651 HN SER 651 -1.791 -1.706 17.351 62 HA SER 651 HA SER 651 -0.846 -3.310 15.171 63 HB2 SER 651 HB2 SER 651 -2.530 -1.482 14.871 64 HB3 SER 651 HB1 SER 651 -1.281 -0.310 15.280 65 HG SER 651 HG SER 651 -1.687 -0.752 12.966 66 H ARG 652 HN ARG 652 0.368 -0.632 17.127 67 HA ARG 652 HA ARG 652 3.075 -1.642 16.706 68 HB2 ARG 652 HB2 ARG 652 2.221 1.228 16.341 69 HB3 ARG 652 HB1 ARG 652 3.884 0.776 16.680 70 HG2 ARG 652 HG2 ARG 652 3.861 -0.616 14.624 71 HG3 ARG 652 HG1 ARG 652 2.251 0.020 14.270 72 HD2 ARG 652 HD2 ARG 652 4.774 1.642 14.583 73 HD3 ARG 652 HD1 ARG 652 3.975 1.258 13.060 74 HE ARG 652 HE ARG 652 2.013 2.482 14.395 75 HH11 ARG 652 HH11 ARG 652 5.372 3.379 13.952 76 HH12 ARG 652 HH12 ARG 652 5.050 5.083 14.002 77 HH21 ARG 652 HH21 ARG 652 1.593 4.714 14.466 78 HH22 ARG 652 HH22 ARG 652 2.902 5.844 14.305 79 HA PRO 653 HA PRO 653 2.618 -1.208 21.209 80 HB2 PRO 653 HB2 PRO 653 5.247 -2.563 21.038 81 HB3 PRO 653 HB1 PRO 653 3.818 -2.999 21.979 82 HG2 PRO 653 HG2 PRO 653 4.519 -4.404 19.821 83 HG3 PRO 653 HG1 PRO 653 2.815 -4.090 20.197 84 HD2 PRO 653 HD2 PRO 653 4.588 -2.755 18.186 85 HD3 PRO 653 HD1 PRO 653 2.888 -3.248 18.039 86 H VAL 654 HN VAL 654 2.919 1.023 21.157 87 HA VAL 654 HA VAL 654 3.956 2.987 21.582 88 HB VAL 654 HB VAL 654 6.486 1.360 21.914 89 HG11 VAL 654 HG11 VAL 654 5.910 4.235 22.638 90 HG12 VAL 654 HG12 VAL 654 6.980 3.683 21.348 91 HG13 VAL 654 HG13 VAL 654 7.383 3.348 23.031 92 HG21 VAL 654 HG21 VAL 654 4.579 2.502 23.959 93 HG22 VAL 654 HG22 VAL 654 6.100 1.684 24.317 94 HG23 VAL 654 HG23 VAL 654 4.778 0.795 23.560 95 H SER 655 HN SER 655 4.227 4.425 20.058 96 HA SER 655 HA SER 655 5.025 3.647 17.428 97 HB2 SER 655 HB2 SER 655 3.226 5.290 17.858 98 HB3 SER 655 HB1 SER 655 4.414 6.397 18.541 99 HG SER 655 HG SER 655 4.908 7.001 16.599 100 H HIS 656 HN HIS 656 7.194 3.009 17.640 101 HA HIS 656 HA HIS 656 9.166 4.927 18.524 102 HB2 HIS 656 HB2 HIS 656 9.392 2.165 17.333 103 HB3 HIS 656 HB1 HIS 656 10.796 3.163 17.679 104 HD1 HIS 656 HD1 HIS 656 11.545 3.351 20.110 105 HD2 HIS 656 HD2 HIS 656 8.031 1.183 19.619 106 HE1 HIS 656 HE1 HIS 656 11.131 2.223 22.318 107 HE2 HIS 656 HE2 HIS 656 9.079 0.807 21.955 108 H GLN 657 HN GLN 657 9.850 6.523 17.285 109 HA GLN 657 HA GLN 657 9.777 6.181 14.372 110 HB2 GLN 657 HB2 GLN 657 10.128 8.697 14.357 111 HB3 GLN 657 HB1 GLN 657 8.578 8.130 14.956 112 HG2 GLN 657 HG2 GLN 657 9.314 8.466 17.243 113 HG3 GLN 657 HG1 GLN 657 10.905 8.966 16.674 114 HE21 GLN 657 HE21 GLN 657 9.863 10.466 14.423 115 HE22 GLN 657 HE22 GLN 657 9.166 11.906 15.078 116 H ARG 658 HN ARG 658 11.610 5.574 13.475 117 HA ARG 658 HA ARG 658 14.099 5.913 14.931 118 HB2 ARG 658 HB2 ARG 658 13.491 4.432 12.370 119 HB3 ARG 658 HB1 ARG 658 15.046 4.434 13.188 120 HG2 ARG 658 HG2 ARG 658 14.083 3.339 15.108 121 HG3 ARG 658 HG1 ARG 658 12.476 3.430 14.388 122 HD2 ARG 658 HD2 ARG 658 13.464 1.203 14.130 123 HD3 ARG 658 HD1 ARG 658 13.178 1.980 12.574 124 HE ARG 658 HE ARG 658 15.766 2.606 13.192 125 HH11 ARG 658 HH11 ARG 658 13.957 -0.375 12.843 126 HH12 ARG 658 HH12 ARG 658 15.338 -1.296 12.331 127 HH21 ARG 658 HH21 ARG 658 17.575 1.408 12.508 128 HH22 ARG 658 HH22 ARG 658 17.398 -0.276 12.123 129 H MET 659 HN MET 659 12.482 7.184 12.161 130 HA MET 659 HA MET 659 12.892 8.921 10.774 131 HB2 MET 659 HB2 MET 659 13.521 10.023 12.961 132 HB3 MET 659 HB1 MET 659 15.196 9.645 12.591 133 HG2 MET 659 HG2 MET 659 15.039 10.996 10.551 134 HG3 MET 659 HG1 MET 659 13.369 11.388 10.951 135 HE1 MET 659 HE1 MET 659 15.273 14.761 11.566 136 HE2 MET 659 HE2 MET 659 13.955 13.971 10.701 137 HE3 MET 659 HE3 MET 659 15.627 13.559 10.324 138 H GLY 660 HN GLY 660 14.229 6.326 10.433 139 HA2 GLY 660 HA2 GLY 660 16.383 7.233 8.646 140 HA3 GLY 660 HA1 GLY 660 16.664 5.897 9.752 141 H THR 661 HN THR 661 13.900 6.743 7.698 142 HA THR 661 HA THR 661 13.641 4.017 6.811 143 HB THR 661 HB THR 661 12.197 6.449 5.741 144 HG1 THR 661 HG1 THR 661 12.146 5.419 8.214 145 HG21 THR 661 HG21 THR 661 11.927 4.403 4.416 146 HG22 THR 661 HG22 THR 661 10.422 4.832 5.230 147 HG23 THR 661 HG23 THR 661 11.426 3.528 5.864 148 HA PRO 662 HA PRO 662 16.564 4.589 3.470 149 HB2 PRO 662 HB2 PRO 662 16.149 2.155 2.302 150 HB3 PRO 662 HB1 PRO 662 17.163 2.396 3.727 151 HG2 PRO 662 HG2 PRO 662 14.341 1.427 3.550 152 HG3 PRO 662 HG1 PRO 662 15.662 0.850 4.581 153 HD2 PRO 662 HD2 PRO 662 13.706 2.474 5.498 154 HD3 PRO 662 HD1 PRO 662 15.367 2.540 6.119 155 H MET 663 HN MET 663 13.319 3.282 2.873 156 HA MET 663 HA MET 663 12.936 5.199 0.746 157 HB2 MET 663 HB2 MET 663 12.241 3.560 -0.930 158 HB3 MET 663 HB1 MET 663 13.919 3.300 -0.479 159 HG2 MET 663 HG2 MET 663 13.349 1.404 0.841 160 HG3 MET 663 HG1 MET 663 11.626 1.731 0.668 161 HE1 MET 663 HE1 MET 663 14.329 0.352 -2.819 162 HE2 MET 663 HE2 MET 663 14.915 0.643 -1.183 163 HE3 MET 663 HE3 MET 663 14.366 1.992 -2.174 164 H VAL 664 HN VAL 664 10.835 5.698 0.412 165 HA VAL 664 HA VAL 664 8.957 4.501 2.325 166 HB VAL 664 HB VAL 664 7.669 6.634 2.047 167 HG11 VAL 664 HG11 VAL 664 9.146 7.956 3.487 168 HG12 VAL 664 HG12 VAL 664 10.486 6.884 3.084 169 HG13 VAL 664 HG13 VAL 664 9.098 6.264 3.979 170 HG21 VAL 664 HG21 VAL 664 8.801 8.579 1.113 171 HG22 VAL 664 HG22 VAL 664 8.613 7.322 -0.110 172 HG23 VAL 664 HG23 VAL 664 10.177 7.573 0.664 173 H GLU 665 HN GLU 665 6.739 4.260 1.662 174 HA GLU 665 HA GLU 665 6.432 3.951 -1.252 175 HB2 GLU 665 HB2 GLU 665 5.029 1.974 -0.825 176 HB3 GLU 665 HB1 GLU 665 6.668 1.757 -0.237 177 HG2 GLU 665 HG2 GLU 665 4.377 2.564 1.534 178 HG3 GLU 665 HG1 GLU 665 4.848 0.889 1.253 179 H ASN 666 HN ASN 666 5.643 6.109 0.695 180 HA ASN 666 HA ASN 666 2.815 5.946 1.055 181 HB2 ASN 666 HB2 ASN 666 2.948 8.250 1.821 182 HB3 ASN 666 HB1 ASN 666 4.266 7.318 2.521 183 HD21 ASN 666 HD21 ASN 666 3.395 9.914 0.419 184 HD22 ASN 666 HD22 ASN 666 5.002 10.476 0.110 185 H ASP 667 HN ASP 667 4.877 7.087 -1.488 186 HA ASP 667 HA ASP 667 2.483 7.939 -2.983 187 HB2 ASP 667 HB2 ASP 667 3.771 9.623 -4.124 188 HB3 ASP 667 HB1 ASP 667 4.020 9.841 -2.396 189 H SER 668 HN SER 668 3.861 5.343 -2.726 190 HA SER 668 HA SER 668 5.596 4.732 -4.785 191 HB2 SER 668 HB2 SER 668 4.644 2.369 -4.519 192 HB3 SER 668 HB1 SER 668 5.307 3.131 -3.071 193 HG SER 668 HG SER 668 3.387 3.131 -2.195 194 H GLY 669 HN GLY 669 2.061 4.653 -4.806 195 HA2 GLY 669 HA2 GLY 669 0.903 5.370 -6.809 196 HA3 GLY 669 HA1 GLY 669 2.192 4.634 -7.750 197 H TYR 670 HN TYR 670 -0.454 3.925 -5.551 198 HA TYR 670 HA TYR 670 -0.424 1.123 -6.020 199 HB2 TYR 670 HB2 TYR 670 -2.617 2.878 -4.897 200 HB3 TYR 670 HB1 TYR 670 -2.555 1.120 -4.797 201 HD1 TYR 670 HD1 TYR 670 -0.625 0.063 -3.527 202 HD2 TYR 670 HD2 TYR 670 -1.544 4.209 -3.283 203 HE1 TYR 670 HE1 TYR 670 0.665 0.220 -1.441 204 HE2 TYR 670 HE2 TYR 670 -0.259 4.377 -1.193 205 HH TYR 670 HH TYR 670 1.842 1.938 -0.127 206 H LYS 671 HN LYS 671 -1.795 -0.120 -7.272 207 HA LYS 671 HA LYS 671 -3.314 1.295 -9.351 208 HB2 LYS 671 HB2 LYS 671 -1.271 -0.884 -9.850 209 HB3 LYS 671 HB1 LYS 671 -2.300 -0.148 -11.070 210 HG2 LYS 671 HG2 LYS 671 -1.214 1.994 -10.735 211 HG3 LYS 671 HG1 LYS 671 -0.221 1.308 -9.449 212 HD2 LYS 671 HD2 LYS 671 0.770 -0.249 -11.073 213 HD3 LYS 671 HD1 LYS 671 -0.200 0.485 -12.351 214 HE2 LYS 671 HE2 LYS 671 2.071 1.371 -12.361 215 HE3 LYS 671 HE1 LYS 671 0.903 2.629 -11.966 216 HZ1 LYS 671 HZ1 LYS 671 1.463 2.331 -9.615 217 HZ2 LYS 671 HZ2 LYS 671 2.814 2.774 -10.528 218 HZ3 LYS 671 HZ3 LYS 671 2.622 1.170 -10.032 219 H LEU 672 HN LEU 672 -4.756 -0.185 -10.569 220 HA LEU 672 HA LEU 672 -6.069 -1.986 -8.756 221 HB2 LEU 672 HB2 LEU 672 -6.645 -1.414 -11.663 222 HB3 LEU 672 HB1 LEU 672 -7.685 -2.310 -10.573 223 HG LEU 672 HG LEU 672 -7.049 0.631 -10.509 224 HD11 LEU 672 HD11 LEU 672 -9.481 0.840 -10.697 225 HD12 LEU 672 HD12 LEU 672 -9.619 -0.917 -10.767 226 HD13 LEU 672 HD13 LEU 672 -8.789 -0.044 -12.057 227 HD21 LEU 672 HD21 LEU 672 -8.490 -1.021 -8.439 228 HD22 LEU 672 HD22 LEU 672 -8.457 0.740 -8.493 229 HD23 LEU 672 HD23 LEU 672 -6.966 -0.159 -8.224 230 H GLY 673 HN GLY 673 -6.062 -4.146 -8.744 231 HA2 GLY 673 HA2 GLY 673 -5.587 -6.316 -9.479 232 HA3 GLY 673 HA1 GLY 673 -4.770 -5.642 -10.883 233 H GLN 674 HN GLN 674 -3.690 -3.933 -8.331 234 HA GLN 674 HA GLN 674 -1.148 -5.304 -8.314 235 HB2 GLN 674 HB2 GLN 674 -1.303 -2.839 -8.414 236 HB3 GLN 674 HB1 GLN 674 -2.083 -2.839 -6.844 237 HG2 GLN 674 HG2 GLN 674 -0.059 -3.734 -5.824 238 HG3 GLN 674 HG1 GLN 674 0.729 -3.741 -7.402 239 HE21 GLN 674 HE21 GLN 674 1.359 -1.800 -8.330 240 HE22 GLN 674 HE22 GLN 674 1.426 -0.325 -7.433 241 H ARG 675 HN ARG 675 -0.137 -6.150 -6.475 242 HA ARG 675 HA ARG 675 -2.001 -6.999 -4.379 243 HB2 ARG 675 HB2 ARG 675 0.540 -8.223 -5.423 244 HB3 ARG 675 HB1 ARG 675 -0.115 -8.678 -3.860 245 HG2 ARG 675 HG2 ARG 675 -0.840 -10.299 -5.420 246 HG3 ARG 675 HG1 ARG 675 -2.241 -9.300 -5.033 247 HD2 ARG 675 HD2 ARG 675 -1.901 -8.036 -7.102 248 HD3 ARG 675 HD1 ARG 675 -0.505 -9.041 -7.486 249 HE ARG 675 HE ARG 675 -2.917 -10.543 -7.055 250 HH11 ARG 675 HH11 ARG 675 -1.025 -8.780 -9.407 251 HH12 ARG 675 HH12 ARG 675 -1.710 -9.609 -10.768 252 HH21 ARG 675 HH21 ARG 675 -3.842 -11.616 -8.832 253 HH22 ARG 675 HH22 ARG 675 -3.319 -11.227 -10.440 254 H VAL 676 HN VAL 676 -1.706 -6.443 -2.340 255 HA VAL 676 HA VAL 676 0.662 -4.807 -1.687 256 HB VAL 676 HB VAL 676 -0.768 -3.648 -0.039 257 HG11 VAL 676 HG11 VAL 676 -1.844 -3.540 -2.850 258 HG12 VAL 676 HG12 VAL 676 -0.430 -2.673 -2.250 259 HG13 VAL 676 HG13 VAL 676 -2.031 -2.293 -1.615 260 HG21 VAL 676 HG21 VAL 676 -3.014 -5.210 -1.310 261 HG22 VAL 676 HG22 VAL 676 -3.197 -3.918 -0.123 262 HG23 VAL 676 HG23 VAL 676 -2.398 -5.425 0.331 263 H ARG 677 HN ARG 677 1.476 -4.971 0.451 264 HA ARG 677 HA ARG 677 0.571 -7.353 1.924 265 HB2 ARG 677 HB2 ARG 677 2.848 -7.427 0.609 266 HB3 ARG 677 HB1 ARG 677 3.437 -6.492 1.976 267 HG2 ARG 677 HG2 ARG 677 2.701 -8.263 3.496 268 HG3 ARG 677 HG1 ARG 677 2.138 -9.202 2.112 269 HD2 ARG 677 HD2 ARG 677 4.474 -9.126 1.224 270 HD3 ARG 677 HD1 ARG 677 4.967 -8.400 2.753 271 HE ARG 677 HE ARG 677 3.574 -10.730 3.360 272 HH11 ARG 677 HH11 ARG 677 6.544 -9.792 1.762 273 HH12 ARG 677 HH12 ARG 677 7.351 -11.291 2.100 274 HH21 ARG 677 HH21 ARG 677 4.639 -12.697 3.831 275 HH22 ARG 677 HH22 ARG 677 6.275 -12.935 3.301 276 H HIS 678 HN HIS 678 0.076 -6.998 3.975 277 HA HIS 678 HA HIS 678 1.367 -4.792 5.426 278 HB2 HIS 678 HB2 HIS 678 -1.173 -4.499 4.434 279 HB3 HIS 678 HB1 HIS 678 -1.501 -5.163 6.028 280 HD1 HIS 678 HD1 HIS 678 -2.067 -3.283 7.552 281 HD2 HIS 678 HD2 HIS 678 0.971 -2.272 4.904 282 HE1 HIS 678 HE1 HIS 678 -1.426 -0.927 8.126 283 HE2 HIS 678 HE2 HIS 678 0.224 -0.262 6.351 284 H ALA 679 HN ALA 679 2.144 -5.581 7.296 285 HA ALA 679 HA ALA 679 1.921 -8.280 7.984 286 HB1 ALA 679 HB1 ALA 679 3.130 -7.697 10.011 287 HB2 ALA 679 HB2 ALA 679 2.774 -5.990 9.744 288 HB3 ALA 679 HB3 ALA 679 3.811 -6.862 8.614 289 H LYS 680 HN LYS 680 -0.189 -5.702 8.678 290 HA LYS 680 HA LYS 680 -1.320 -6.943 11.048 291 HB2 LYS 680 HB2 LYS 680 -1.873 -4.352 9.615 292 HB3 LYS 680 HB1 LYS 680 -2.868 -4.918 10.947 293 HG2 LYS 680 HG2 LYS 680 -1.268 -3.324 11.768 294 HG3 LYS 680 HG1 LYS 680 -0.871 -4.918 12.402 295 HD2 LYS 680 HD2 LYS 680 0.839 -5.150 10.627 296 HD3 LYS 680 HD1 LYS 680 0.474 -3.508 10.098 297 HE2 LYS 680 HE2 LYS 680 1.374 -4.201 12.885 298 HE3 LYS 680 HE1 LYS 680 2.478 -3.741 11.593 299 HZ1 LYS 680 HZ1 LYS 680 0.282 -2.070 12.695 300 HZ2 LYS 680 HZ2 LYS 680 1.291 -1.630 11.408 301 HZ3 LYS 680 HZ3 LYS 680 1.941 -1.849 12.952 302 H PHE 681 HN PHE 681 -2.156 -6.461 7.656 303 HA PHE 681 HA PHE 681 -4.772 -7.717 8.178 304 HB2 PHE 681 HB2 PHE 681 -3.988 -5.871 5.915 305 HB3 PHE 681 HB1 PHE 681 -5.568 -6.615 6.118 306 HD1 PHE 681 HD1 PHE 681 -3.998 -3.636 6.365 307 HD2 PHE 681 HD2 PHE 681 -6.393 -6.221 8.753 308 HE1 PHE 681 HE1 PHE 681 -4.720 -1.713 7.720 309 HE2 PHE 681 HE2 PHE 681 -7.122 -4.303 10.108 310 HZ PHE 681 HZ PHE 681 -6.285 -2.043 9.591 311 H GLY 682 HN GLY 682 -1.777 -8.243 6.778 312 HA2 GLY 682 HA2 GLY 682 -1.114 -10.200 5.655 313 HA3 GLY 682 HA1 GLY 682 -2.793 -10.492 5.215 314 H GLU 683 HN GLU 683 -2.051 -10.856 3.046 315 HA GLU 683 HA GLU 683 -1.364 -8.390 1.616 316 HB2 GLU 683 HB2 GLU 683 -0.588 -9.859 -0.213 317 HB3 GLU 683 HB1 GLU 683 0.282 -10.152 1.286 318 HG2 GLU 683 HG2 GLU 683 -1.175 -12.101 1.698 319 HG3 GLU 683 HG1 GLU 683 -1.929 -11.830 0.130 320 H GLY 684 HN GLY 684 -2.549 -7.849 -0.264 321 HA2 GLY 684 HA2 GLY 684 -4.933 -9.415 -0.859 322 HA3 GLY 684 HA1 GLY 684 -5.206 -7.816 -0.187 323 H THR 685 HN THR 685 -6.292 -8.213 -2.536 324 HA THR 685 HA THR 685 -4.440 -7.065 -4.521 325 HB THR 685 HB THR 685 -7.086 -8.415 -5.080 326 HG1 THR 685 HG1 THR 685 -4.963 -9.600 -4.175 327 HG21 THR 685 HG21 THR 685 -4.732 -7.755 -6.857 328 HG22 THR 685 HG22 THR 685 -6.282 -6.913 -6.837 329 HG23 THR 685 HG23 THR 685 -6.200 -8.596 -7.360 330 H ILE 686 HN ILE 686 -4.760 -4.995 -5.082 331 HA ILE 686 HA ILE 686 -7.000 -3.513 -4.070 332 HB ILE 686 HB ILE 686 -4.979 -2.630 -6.137 333 HG12 ILE 686 HG12 ILE 686 -4.899 -2.319 -3.126 334 HG13 ILE 686 HG11 ILE 686 -3.873 -3.399 -4.064 335 HG21 ILE 686 HG21 ILE 686 -6.968 -1.225 -6.028 336 HG22 ILE 686 HG22 ILE 686 -5.567 -0.371 -5.380 337 HG23 ILE 686 HG23 ILE 686 -6.768 -1.056 -4.284 338 HD11 ILE 686 HD11 ILE 686 -3.914 -0.395 -4.244 339 HD12 ILE 686 HD12 ILE 686 -2.890 -1.471 -5.195 340 HD13 ILE 686 HD13 ILE 686 -2.685 -1.378 -3.446 341 H VAL 687 HN VAL 687 -8.959 -3.832 -4.939 342 HA VAL 687 HA VAL 687 -9.178 -4.461 -7.784 343 HB VAL 687 HB VAL 687 -11.557 -4.948 -7.290 344 HG11 VAL 687 HG11 VAL 687 -11.155 -6.972 -5.952 345 HG12 VAL 687 HG12 VAL 687 -9.564 -6.349 -5.514 346 HG13 VAL 687 HG13 VAL 687 -9.925 -6.739 -7.196 347 HG21 VAL 687 HG21 VAL 687 -10.794 -4.379 -4.425 348 HG22 VAL 687 HG22 VAL 687 -12.336 -5.034 -4.978 349 HG23 VAL 687 HG23 VAL 687 -11.865 -3.391 -5.422 350 H ASN 688 HN ASN 688 -9.966 -1.956 -5.494 351 HA ASN 688 HA ASN 688 -10.688 -0.197 -7.702 352 HB2 ASN 688 HB2 ASN 688 -12.468 -0.932 -5.410 353 HB3 ASN 688 HB1 ASN 688 -12.537 0.698 -6.057 354 HD21 ASN 688 HD21 ASN 688 -13.319 -2.607 -6.562 355 HD22 ASN 688 HD22 ASN 688 -14.195 -2.400 -8.036 356 H MET 689 HN MET 689 -10.626 2.090 -7.077 357 HA MET 689 HA MET 689 -9.354 2.699 -4.548 358 HB2 MET 689 HB2 MET 689 -7.473 3.910 -5.590 359 HB3 MET 689 HB1 MET 689 -7.414 2.185 -5.903 360 HG2 MET 689 HG2 MET 689 -6.878 3.016 -7.957 361 HG3 MET 689 HG1 MET 689 -8.622 2.834 -8.120 362 HE1 MET 689 HE1 MET 689 -5.630 5.280 -7.668 363 HE2 MET 689 HE2 MET 689 -6.544 5.625 -6.200 364 HE3 MET 689 HE3 MET 689 -6.426 6.842 -7.470 365 H GLU 690 HN GLU 690 -9.613 4.800 -3.899 366 HA GLU 690 HA GLU 690 -11.523 6.342 -5.542 367 HB2 GLU 690 HB2 GLU 690 -11.252 6.296 -2.529 368 HB3 GLU 690 HB1 GLU 690 -12.466 7.173 -3.448 369 HG2 GLU 690 HG2 GLU 690 -12.194 4.177 -3.436 370 HG3 GLU 690 HG1 GLU 690 -13.278 5.082 -2.382 371 H GLY 691 HN GLY 691 -10.762 8.231 -6.261 372 HA2 GLY 691 HA2 GLY 691 -9.952 10.401 -6.013 373 HA3 GLY 691 HA1 GLY 691 -9.319 9.959 -4.437 374 H SER 692 HN SER 692 -7.381 10.985 -4.857 375 HA SER 692 HA SER 692 -5.315 9.402 -5.896 376 HB2 SER 692 HB2 SER 692 -4.596 10.989 -7.750 377 HB3 SER 692 HB1 SER 692 -6.009 9.998 -8.108 378 HG SER 692 HG SER 692 -7.321 11.786 -7.637 379 H GLY 693 HN GLY 693 -3.540 9.960 -4.782 380 HA2 GLY 693 HA2 GLY 693 -2.020 11.682 -3.967 381 HA3 GLY 693 HA1 GLY 693 -3.429 12.690 -3.663 382 H GLU 694 HN GLU 694 -3.148 12.993 -1.495 383 HA GLU 694 HA GLU 694 -2.447 10.893 0.306 384 HB2 GLU 694 HB2 GLU 694 -1.868 13.223 0.776 385 HB3 GLU 694 HB1 GLU 694 -3.572 13.652 0.835 386 HG2 GLU 694 HG2 GLU 694 -3.821 12.084 2.758 387 HG3 GLU 694 HG1 GLU 694 -2.072 11.880 2.746 388 H HIS 695 HN HIS 695 -5.461 12.609 -0.417 389 HA HIS 695 HA HIS 695 -6.922 11.145 1.604 390 HB2 HIS 695 HB2 HIS 695 -7.750 13.232 -0.411 391 HB3 HIS 695 HB1 HIS 695 -8.886 12.458 0.684 392 HD1 HIS 695 HD1 HIS 695 -9.107 13.452 2.969 393 HD2 HIS 695 HD2 HIS 695 -5.735 14.822 0.961 394 HE1 HIS 695 HE1 HIS 695 -8.169 15.288 4.401 395 HE2 HIS 695 HE2 HIS 695 -6.204 16.187 3.108 396 H SER 696 HN SER 696 -5.822 9.482 -0.386 397 HA SER 696 HA SER 696 -8.114 8.679 -2.017 398 HB2 SER 696 HB2 SER 696 -5.344 7.481 -2.075 399 HB3 SER 696 HB1 SER 696 -6.588 7.410 -3.323 400 HG SER 696 HG SER 696 -4.802 9.433 -2.693 401 H ARG 697 HN ARG 697 -9.081 6.682 -1.795 402 HA ARG 697 HA ARG 697 -8.126 5.029 0.451 403 HB2 ARG 697 HB2 ARG 697 -10.964 5.293 -0.559 404 HB3 ARG 697 HB1 ARG 697 -10.434 4.250 0.752 405 HG2 ARG 697 HG2 ARG 697 -9.688 6.317 1.965 406 HG3 ARG 697 HG1 ARG 697 -10.491 7.255 0.702 407 HD2 ARG 697 HD2 ARG 697 -11.763 5.266 2.575 408 HD3 ARG 697 HD1 ARG 697 -11.987 7.014 2.572 409 HE ARG 697 HE ARG 697 -12.917 6.585 0.217 410 HH11 ARG 697 HH11 ARG 697 -13.298 4.461 2.973 411 HH12 ARG 697 HH12 ARG 697 -14.746 3.726 2.371 412 HH21 ARG 697 HH21 ARG 697 -14.836 5.619 -0.577 413 HH22 ARG 697 HH22 ARG 697 -15.613 4.373 0.347 414 H LEU 698 HN LEU 698 -7.733 2.924 0.045 415 HA LEU 698 HA LEU 698 -8.181 2.024 -2.720 416 HB2 LEU 698 HB2 LEU 698 -6.334 0.751 -0.723 417 HB3 LEU 698 HB1 LEU 698 -6.339 0.569 -2.464 418 HG LEU 698 HG LEU 698 -5.624 3.146 -1.073 419 HD11 LEU 698 HD11 LEU 698 -4.039 1.404 -0.452 420 HD12 LEU 698 HD12 LEU 698 -3.298 2.569 -1.550 421 HD13 LEU 698 HD13 LEU 698 -3.811 0.992 -2.150 422 HD21 LEU 698 HD21 LEU 698 -5.232 2.190 -3.909 423 HD22 LEU 698 HD22 LEU 698 -4.658 3.723 -3.252 424 HD23 LEU 698 HD23 LEU 698 -6.390 3.407 -3.372 425 H GLN 699 HN GLN 699 -9.541 0.392 -3.075 426 HA GLN 699 HA GLN 699 -10.606 -1.062 -0.777 427 HB2 GLN 699 HB2 GLN 699 -11.549 -0.604 -3.564 428 HB3 GLN 699 HB1 GLN 699 -12.010 -2.115 -2.791 429 HG2 GLN 699 HG2 GLN 699 -13.773 -0.804 -2.207 430 HG3 GLN 699 HG1 GLN 699 -12.711 -0.540 -0.827 431 HE21 GLN 699 HE21 GLN 699 -14.844 1.123 -1.870 432 HE22 GLN 699 HE22 GLN 699 -14.131 2.655 -2.242 433 H VAL 700 HN VAL 700 -9.324 -2.596 -0.171 434 HA VAL 700 HA VAL 700 -7.893 -4.176 -2.189 435 HB VAL 700 HB VAL 700 -7.370 -4.102 0.782 436 HG11 VAL 700 HG11 VAL 700 -5.732 -5.109 -1.539 437 HG12 VAL 700 HG12 VAL 700 -6.549 -6.092 -0.324 438 HG13 VAL 700 HG13 VAL 700 -5.200 -5.058 0.142 439 HG21 VAL 700 HG21 VAL 700 -5.935 -2.572 -1.388 440 HG22 VAL 700 HG22 VAL 700 -5.525 -2.589 0.330 441 HG23 VAL 700 HG23 VAL 700 -7.044 -1.872 -0.210 442 H ALA 701 HN ALA 701 -8.539 -6.158 -2.605 443 HA ALA 701 HA ALA 701 -10.541 -7.420 -0.922 444 HB1 ALA 701 HB1 ALA 701 -9.341 -8.322 -3.540 445 HB2 ALA 701 HB2 ALA 701 -10.838 -7.408 -3.355 446 HB3 ALA 701 HB3 ALA 701 -10.724 -9.052 -2.727 447 H PHE 702 HN PHE 702 -9.608 -8.230 0.888 448 HA PHE 702 HA PHE 702 -7.169 -9.795 0.701 449 HB2 PHE 702 HB2 PHE 702 -8.953 -9.046 3.024 450 HB3 PHE 702 HB1 PHE 702 -7.544 -10.086 3.189 451 HD1 PHE 702 HD1 PHE 702 -8.727 -6.682 2.689 452 HD2 PHE 702 HD2 PHE 702 -5.295 -9.184 2.908 453 HE1 PHE 702 HE1 PHE 702 -7.300 -4.697 2.954 454 HE2 PHE 702 HE2 PHE 702 -3.861 -7.204 3.176 455 HZ PHE 702 HZ PHE 702 -4.865 -4.955 3.199 456 H GLN 703 HN GLN 703 -7.167 -11.894 0.310 457 HA GLN 703 HA GLN 703 -9.616 -13.274 -0.156 458 HB2 GLN 703 HB2 GLN 703 -7.508 -13.574 -1.464 459 HB3 GLN 703 HB1 GLN 703 -6.804 -14.381 -0.073 460 HG2 GLN 703 HG2 GLN 703 -8.361 -16.182 -0.245 461 HG3 GLN 703 HG1 GLN 703 -9.274 -15.336 -1.495 462 HE21 GLN 703 HE21 GLN 703 -6.375 -17.098 -0.762 463 HE22 GLN 703 HE22 GLN 703 -5.891 -17.381 -2.398 464 H GLY 704 HN GLY 704 -7.805 -12.759 2.628 465 HA2 GLY 704 HA2 GLY 704 -8.461 -15.287 3.895 466 HA3 GLY 704 HA1 GLY 704 -7.567 -13.958 4.613 467 H GLN 705 HN GLN 705 -10.057 -12.298 3.483 468 HA GLN 705 HA GLN 705 -12.006 -13.072 5.484 469 HB2 GLN 705 HB2 GLN 705 -10.360 -11.723 6.749 470 HB3 GLN 705 HB1 GLN 705 -10.664 -10.373 5.664 471 HG2 GLN 705 HG2 GLN 705 -12.934 -10.205 6.413 472 HG3 GLN 705 HG1 GLN 705 -12.769 -11.672 7.375 473 HE21 GLN 705 HE21 GLN 705 -11.604 -11.610 9.290 474 HE22 GLN 705 HE22 GLN 705 -11.220 -10.120 10.082 475 H GLY 706 HN GLY 706 -11.114 -10.318 3.376 476 HA2 GLY 706 HA2 GLY 706 -13.115 -10.519 1.539 477 HA3 GLY 706 HA1 GLY 706 -13.875 -9.690 2.890 478 H ILE 707 HN ILE 707 -14.111 -8.026 1.158 479 HA ILE 707 HA ILE 707 -11.755 -6.587 0.345 480 HB ILE 707 HB ILE 707 -14.668 -5.794 0.115 481 HG12 ILE 707 HG12 ILE 707 -12.828 -7.107 -1.900 482 HG13 ILE 707 HG11 ILE 707 -14.148 -7.905 -1.051 483 HG21 ILE 707 HG21 ILE 707 -12.223 -4.713 -1.286 484 HG22 ILE 707 HG22 ILE 707 -13.181 -3.877 -0.064 485 HG23 ILE 707 HG23 ILE 707 -13.891 -4.255 -1.634 486 HD11 ILE 707 HD11 ILE 707 -15.747 -6.437 -2.154 487 HD12 ILE 707 HD12 ILE 707 -14.768 -7.320 -3.326 488 HD13 ILE 707 HD13 ILE 707 -14.426 -5.622 -2.991 489 H LYS 708 HN LYS 708 -10.994 -4.662 1.124 490 HA LYS 708 HA LYS 708 -12.371 -3.487 3.440 491 HB2 LYS 708 HB2 LYS 708 -9.441 -4.152 3.195 492 HB3 LYS 708 HB1 LYS 708 -10.078 -3.039 4.397 493 HG2 LYS 708 HG2 LYS 708 -11.378 -4.786 5.402 494 HG3 LYS 708 HG1 LYS 708 -10.919 -5.912 4.121 495 HD2 LYS 708 HD2 LYS 708 -8.571 -5.727 4.822 496 HD3 LYS 708 HD1 LYS 708 -9.054 -4.637 6.120 497 HE2 LYS 708 HE2 LYS 708 -9.942 -7.497 5.780 498 HE3 LYS 708 HE1 LYS 708 -8.748 -6.917 6.941 499 HZ1 LYS 708 HZ1 LYS 708 -10.457 -5.597 8.008 500 HZ2 LYS 708 HZ2 LYS 708 -10.935 -7.224 7.950 501 HZ3 LYS 708 HZ3 LYS 708 -11.604 -6.109 6.871 502 H TRP 709 HN TRP 709 -11.749 -1.295 3.882 503 HA TRP 709 HA TRP 709 -10.826 0.164 1.506 504 HB2 TRP 709 HB2 TRP 709 -11.973 2.131 2.535 505 HB3 TRP 709 HB1 TRP 709 -13.078 0.804 2.182 506 HD1 TRP 709 HD1 TRP 709 -13.704 -0.787 4.393 507 HE1 TRP 709 HE1 TRP 709 -14.078 -0.080 6.831 508 HE3 TRP 709 HE3 TRP 709 -11.426 3.785 4.258 509 HZ2 TRP 709 HZ2 TRP 709 -13.515 2.145 8.476 510 HZ3 TRP 709 HZ3 TRP 709 -11.391 5.142 6.310 511 HH2 TRP 709 HH2 TRP 709 -12.415 4.335 8.372 512 H LEU 710 HN LEU 710 -8.824 0.912 1.620 513 HA LEU 710 HA LEU 710 -7.703 1.508 4.282 514 HB2 LEU 710 HB2 LEU 710 -6.374 0.325 1.848 515 HB3 LEU 710 HB1 LEU 710 -5.460 1.022 3.167 516 HG LEU 710 HG LEU 710 -5.434 -1.326 3.479 517 HD11 LEU 710 HD11 LEU 710 -6.511 -1.622 5.624 518 HD12 LEU 710 HD12 LEU 710 -7.535 -0.218 5.330 519 HD13 LEU 710 HD13 LEU 710 -5.793 -0.014 5.515 520 HD21 LEU 710 HD21 LEU 710 -8.431 -1.288 3.179 521 HD22 LEU 710 HD22 LEU 710 -7.461 -2.693 3.620 522 HD23 LEU 710 HD23 LEU 710 -7.269 -1.952 2.030 523 H VAL 711 HN VAL 711 -7.499 3.641 4.543 524 HA VAL 711 HA VAL 711 -7.387 5.503 2.398 525 HB VAL 711 HB VAL 711 -6.513 5.932 5.266 526 HG11 VAL 711 HG11 VAL 711 -7.332 7.893 3.122 527 HG12 VAL 711 HG12 VAL 711 -5.704 7.664 3.761 528 HG13 VAL 711 HG13 VAL 711 -6.979 8.301 4.801 529 HG21 VAL 711 HG21 VAL 711 -8.825 5.110 5.116 530 HG22 VAL 711 HG22 VAL 711 -9.211 6.424 4.004 531 HG23 VAL 711 HG23 VAL 711 -8.757 6.783 5.669 532 H ALA 712 HN ALA 712 -5.739 5.697 1.057 533 HA ALA 712 HA ALA 712 -3.510 4.137 1.074 534 HB1 ALA 712 HB1 ALA 712 -3.718 6.830 -0.254 535 HB2 ALA 712 HB2 ALA 712 -4.420 5.335 -0.872 536 HB3 ALA 712 HB3 ALA 712 -2.668 5.496 -0.729 537 H ALA 713 HN ALA 713 -3.608 7.531 2.167 538 HA ALA 713 HA ALA 713 -0.822 7.745 2.596 539 HB1 ALA 713 HB1 ALA 713 -2.279 9.681 2.274 540 HB2 ALA 713 HB2 ALA 713 -1.333 9.810 3.757 541 HB3 ALA 713 HB3 ALA 713 -3.037 9.364 3.834 542 H TYR 714 HN TYR 714 -3.423 6.601 4.638 543 HA TYR 714 HA TYR 714 -1.641 6.570 6.965 544 HB2 TYR 714 HB2 TYR 714 -4.621 6.140 6.701 545 HB3 TYR 714 HB1 TYR 714 -3.740 5.914 8.208 546 HD1 TYR 714 HD1 TYR 714 -4.638 8.438 5.638 547 HD2 TYR 714 HD2 TYR 714 -3.207 7.748 9.583 548 HE1 TYR 714 HE1 TYR 714 -4.873 10.833 6.135 549 HE2 TYR 714 HE2 TYR 714 -3.434 10.143 10.089 550 HH TYR 714 HH TYR 714 -3.582 12.245 9.021 551 H ALA 715 HN ALA 715 -2.998 4.549 4.584 552 HA ALA 715 HA ALA 715 -2.895 2.080 5.996 553 HB1 ALA 715 HB1 ALA 715 -3.256 1.061 3.827 554 HB2 ALA 715 HB2 ALA 715 -2.857 2.577 3.022 555 HB3 ALA 715 HB3 ALA 715 -4.311 2.463 4.012 556 H ARG 716 HN ARG 716 -0.829 3.506 3.471 557 HA ARG 716 HA ARG 716 1.333 3.152 2.871 558 HB2 ARG 716 HB2 ARG 716 1.648 4.009 5.198 559 HB3 ARG 716 HB1 ARG 716 1.694 2.346 5.763 560 HG2 ARG 716 HG2 ARG 716 3.684 1.935 4.412 561 HG3 ARG 716 HG1 ARG 716 3.636 3.606 3.840 562 HD2 ARG 716 HD2 ARG 716 3.886 4.391 6.148 563 HD3 ARG 716 HD1 ARG 716 3.966 2.718 6.702 564 HE ARG 716 HE ARG 716 5.931 3.206 4.708 565 HH11 ARG 716 HH11 ARG 716 5.185 3.852 8.071 566 HH12 ARG 716 HH12 ARG 716 6.845 3.991 8.550 567 HH21 ARG 716 HH21 ARG 716 8.120 3.377 5.335 568 HH22 ARG 716 HH22 ARG 716 8.520 3.719 6.990 569 H LEU 717 HN LEU 717 0.544 1.376 1.575 570 HA LEU 717 HA LEU 717 1.064 -1.305 2.636 571 HB2 LEU 717 HB2 LEU 717 -0.491 -0.230 0.328 572 HB3 LEU 717 HB1 LEU 717 0.143 -1.857 0.219 573 HG LEU 717 HG LEU 717 -2.170 -1.891 0.944 574 HD11 LEU 717 HD11 LEU 717 -0.587 -3.581 1.832 575 HD12 LEU 717 HD12 LEU 717 -1.965 -3.272 2.884 576 HD13 LEU 717 HD13 LEU 717 -0.390 -2.581 3.269 577 HD21 LEU 717 HD21 LEU 717 -1.247 -0.239 3.281 578 HD22 LEU 717 HD22 LEU 717 -2.850 -0.948 3.084 579 HD23 LEU 717 HD23 LEU 717 -2.294 0.300 1.968 580 H GLU 718 HN GLU 718 2.582 -2.649 1.820 581 HA GLU 718 HA GLU 718 4.494 -1.514 -0.097 582 HB2 GLU 718 HB2 GLU 718 5.321 -2.346 2.122 583 HB3 GLU 718 HB1 GLU 718 4.768 -3.953 1.677 584 HG2 GLU 718 HG2 GLU 718 6.322 -3.958 -0.212 585 HG3 GLU 718 HG1 GLU 718 6.886 -2.355 0.258 586 H SER 719 HN SER 719 4.649 -2.387 -2.127 587 HA SER 719 HA SER 719 2.590 -4.179 -2.945 588 HB2 SER 719 HB2 SER 719 3.504 -2.373 -4.402 589 HB3 SER 719 HB1 SER 719 5.009 -3.282 -4.528 590 HG SER 719 HG SER 719 2.698 -4.694 -5.120 591 H VAL 720 HN VAL 720 2.616 -6.312 -3.194 592 HA VAL 720 HA VAL 720 4.658 -7.875 -2.029 593 HB VAL 720 HB VAL 720 2.454 -8.806 -3.880 594 HG11 VAL 720 HG11 VAL 720 4.110 -10.277 -1.836 595 HG12 VAL 720 HG12 VAL 720 4.172 -10.482 -3.587 596 HG13 VAL 720 HG13 VAL 720 2.726 -10.950 -2.694 597 HG21 VAL 720 HG21 VAL 720 1.149 -9.236 -1.888 598 HG22 VAL 720 HG22 VAL 720 1.592 -7.530 -1.957 599 HG23 VAL 720 HG23 VAL 720 2.451 -8.625 -0.871 Start of MODEL 9 1 H1 ARG 645 HT1 ARG 645 14.877 -20.379 -12.476 2 H2 ARG 645 HT2 ARG 645 15.092 -19.094 -11.398 3 H3 ARG 645 HT3 ARG 645 16.418 -19.731 -12.228 4 HA ARG 645 HA ARG 645 15.537 -18.976 -14.322 5 HB2 ARG 645 HB2 ARG 645 13.147 -19.154 -13.640 6 HB3 ARG 645 HB1 ARG 645 13.355 -17.734 -12.628 7 HG2 ARG 645 HG2 ARG 645 13.856 -16.393 -14.602 8 HG3 ARG 645 HG1 ARG 645 13.652 -17.820 -15.622 9 HD2 ARG 645 HD2 ARG 645 11.531 -16.624 -13.847 10 HD3 ARG 645 HD1 ARG 645 11.651 -16.375 -15.586 11 HE ARG 645 HE ARG 645 11.467 -18.967 -15.596 12 HH11 ARG 645 HH11 ARG 645 9.801 -16.804 -13.405 13 HH12 ARG 645 HH12 ARG 645 8.392 -17.809 -13.286 14 HH21 ARG 645 HH21 ARG 645 9.625 -20.302 -15.415 15 HH22 ARG 645 HH22 ARG 645 8.294 -19.799 -14.418 16 H LEU 646 HN LEU 646 16.249 -16.942 -15.088 17 HA LEU 646 HA LEU 646 17.500 -15.294 -13.002 18 HB2 LEU 646 HB2 LEU 646 18.102 -15.479 -15.953 19 HB3 LEU 646 HB1 LEU 646 18.931 -14.430 -14.822 20 HG LEU 646 HG LEU 646 18.974 -17.447 -14.815 21 HD11 LEU 646 HD11 LEU 646 21.324 -17.172 -15.380 22 HD12 LEU 646 HD12 LEU 646 21.127 -15.421 -15.403 23 HD13 LEU 646 HD13 LEU 646 20.298 -16.417 -16.597 24 HD21 LEU 646 HD21 LEU 646 20.642 -17.200 -13.019 25 HD22 LEU 646 HD22 LEU 646 19.048 -16.618 -12.539 26 HD23 LEU 646 HD23 LEU 646 20.314 -15.469 -12.972 27 H ARG 647 HN ARG 647 15.707 -14.061 -12.472 28 HA ARG 647 HA ARG 647 14.405 -12.214 -12.511 29 HB2 ARG 647 HB2 ARG 647 16.122 -11.445 -14.875 30 HB3 ARG 647 HB1 ARG 647 15.025 -10.363 -14.028 31 HG2 ARG 647 HG2 ARG 647 16.333 -10.614 -11.990 32 HG3 ARG 647 HG1 ARG 647 17.419 -11.732 -12.817 33 HD2 ARG 647 HD2 ARG 647 18.403 -9.520 -12.722 34 HD3 ARG 647 HD1 ARG 647 18.035 -9.955 -14.389 35 HE ARG 647 HE ARG 647 15.858 -8.535 -13.376 36 HH11 ARG 647 HH11 ARG 647 19.233 -7.986 -14.119 37 HH12 ARG 647 HH12 ARG 647 19.013 -6.308 -14.494 38 HH21 ARG 647 HH21 ARG 647 15.560 -6.323 -13.876 39 HH22 ARG 647 HH22 ARG 647 16.928 -5.357 -14.336 40 H ALA 648 HN ALA 648 12.420 -12.978 -12.943 41 HA ALA 648 HA ALA 648 11.603 -13.785 -15.572 42 HB1 ALA 648 HB1 ALA 648 10.639 -14.834 -13.599 43 HB2 ALA 648 HB2 ALA 648 9.386 -14.069 -14.572 44 HB3 ALA 648 HB3 ALA 648 9.954 -13.291 -13.096 45 H THR 649 HN THR 649 11.862 -10.871 -13.933 46 HA THR 649 HA THR 649 11.271 -8.736 -14.297 47 HB THR 649 HB THR 649 11.109 -8.033 -16.721 48 HG1 THR 649 HG1 THR 649 10.683 -10.593 -17.129 49 HG21 THR 649 HG21 THR 649 13.197 -7.937 -15.509 50 HG22 THR 649 HG22 THR 649 13.494 -8.497 -17.154 51 HG23 THR 649 HG23 THR 649 13.489 -9.648 -15.818 52 H VAL 650 HN VAL 650 9.115 -10.305 -13.502 53 HA VAL 650 HA VAL 650 6.822 -9.678 -15.120 54 HB VAL 650 HB VAL 650 6.883 -10.637 -12.250 55 HG11 VAL 650 HG11 VAL 650 4.688 -10.726 -14.320 56 HG12 VAL 650 HG12 VAL 650 4.735 -9.682 -12.899 57 HG13 VAL 650 HG13 VAL 650 4.609 -11.430 -12.705 58 HG21 VAL 650 HG21 VAL 650 6.690 -12.233 -14.803 59 HG22 VAL 650 HG22 VAL 650 6.552 -12.880 -13.169 60 HG23 VAL 650 HG23 VAL 650 8.076 -12.183 -13.714 61 H SER 651 HN SER 651 7.326 -7.420 -15.267 62 HA SER 651 HA SER 651 5.906 -5.880 -13.259 63 HB2 SER 651 HB2 SER 651 8.266 -5.826 -12.495 64 HB3 SER 651 HB1 SER 651 8.755 -5.214 -14.074 65 HG SER 651 HG SER 651 6.810 -3.849 -12.557 66 H ARG 652 HN ARG 652 8.040 -5.496 -16.063 67 HA ARG 652 HA ARG 652 7.803 -4.540 -18.089 68 HB2 ARG 652 HB2 ARG 652 4.889 -5.220 -17.682 69 HB3 ARG 652 HB1 ARG 652 5.639 -4.812 -19.217 70 HG2 ARG 652 HG2 ARG 652 7.126 -6.800 -18.923 71 HG3 ARG 652 HG1 ARG 652 6.148 -7.240 -17.522 72 HD2 ARG 652 HD2 ARG 652 5.356 -8.457 -19.440 73 HD3 ARG 652 HD1 ARG 652 4.148 -7.255 -18.984 74 HE ARG 652 HE ARG 652 6.052 -6.506 -21.056 75 HH11 ARG 652 HH11 ARG 652 2.823 -7.567 -20.240 76 HH12 ARG 652 HH12 ARG 652 2.163 -7.150 -21.788 77 HH21 ARG 652 HH21 ARG 652 5.177 -5.950 -23.091 78 HH22 ARG 652 HH22 ARG 652 3.495 -6.250 -23.407 79 HA PRO 653 HA PRO 653 6.358 -0.467 -16.456 80 HB2 PRO 653 HB2 PRO 653 9.018 0.485 -17.147 81 HB3 PRO 653 HB1 PRO 653 8.221 0.482 -15.573 82 HG2 PRO 653 HG2 PRO 653 10.355 -1.099 -16.162 83 HG3 PRO 653 HG1 PRO 653 9.112 -1.545 -14.979 84 HD2 PRO 653 HD2 PRO 653 9.436 -2.442 -17.820 85 HD3 PRO 653 HD1 PRO 653 8.978 -3.385 -16.384 86 H VAL 654 HN VAL 654 5.131 -0.770 -18.493 87 HA VAL 654 HA VAL 654 6.238 -0.201 -21.026 88 HB VAL 654 HB VAL 654 4.121 -1.418 -20.738 89 HG11 VAL 654 HG11 VAL 654 3.156 -0.183 -18.896 90 HG12 VAL 654 HG12 VAL 654 2.040 -0.204 -20.261 91 HG13 VAL 654 HG13 VAL 654 2.981 1.246 -19.913 92 HG21 VAL 654 HG21 VAL 654 3.837 1.105 -22.364 93 HG22 VAL 654 HG22 VAL 654 2.865 -0.355 -22.554 94 HG23 VAL 654 HG23 VAL 654 4.595 -0.398 -22.890 95 H SER 655 HN SER 655 4.983 1.817 -18.493 96 HA SER 655 HA SER 655 5.175 4.178 -20.216 97 HB2 SER 655 HB2 SER 655 3.063 3.822 -18.942 98 HB3 SER 655 HB1 SER 655 3.983 3.925 -17.443 99 HG SER 655 HG SER 655 3.735 5.962 -19.409 100 H HIS 656 HN HIS 656 7.344 4.614 -20.263 101 HA HIS 656 HA HIS 656 8.838 4.752 -17.767 102 HB2 HIS 656 HB2 HIS 656 9.719 5.347 -20.603 103 HB3 HIS 656 HB1 HIS 656 10.774 5.287 -19.199 104 HD1 HIS 656 HD1 HIS 656 11.394 2.949 -18.279 105 HD2 HIS 656 HD2 HIS 656 8.958 2.865 -21.643 106 HE1 HIS 656 HE1 HIS 656 11.442 0.572 -19.089 107 HE2 HIS 656 HE2 HIS 656 9.788 0.509 -20.983 108 H GLN 657 HN GLN 657 8.335 6.518 -16.581 109 HA GLN 657 HA GLN 657 8.302 9.112 -17.969 110 HB2 GLN 657 HB2 GLN 657 6.325 8.147 -15.905 111 HB3 GLN 657 HB1 GLN 657 6.447 9.812 -16.448 112 HG2 GLN 657 HG2 GLN 657 5.899 7.505 -18.291 113 HG3 GLN 657 HG1 GLN 657 4.636 8.453 -17.511 114 HE21 GLN 657 HE21 GLN 657 3.824 9.151 -19.467 115 HE22 GLN 657 HE22 GLN 657 4.628 10.331 -20.441 116 H ARG 658 HN ARG 658 10.081 7.469 -15.934 117 HA ARG 658 HA ARG 658 10.108 9.282 -13.677 118 HB2 ARG 658 HB2 ARG 658 11.744 7.854 -12.704 119 HB3 ARG 658 HB1 ARG 658 10.545 6.817 -13.460 120 HG2 ARG 658 HG2 ARG 658 12.029 6.474 -15.363 121 HG3 ARG 658 HG1 ARG 658 13.232 7.529 -14.617 122 HD2 ARG 658 HD2 ARG 658 13.228 5.967 -12.652 123 HD3 ARG 658 HD1 ARG 658 12.231 4.875 -13.609 124 HE ARG 658 HE ARG 658 14.707 5.697 -14.858 125 HH11 ARG 658 HH11 ARG 658 13.058 3.303 -12.919 126 HH12 ARG 658 HH12 ARG 658 14.262 2.081 -13.169 127 HH21 ARG 658 HH21 ARG 658 16.297 4.090 -15.201 128 HH22 ARG 658 HH22 ARG 658 16.097 2.522 -14.481 129 H MET 659 HN MET 659 11.565 9.095 -16.727 130 HA MET 659 HA MET 659 14.050 10.323 -16.241 131 HB2 MET 659 HB2 MET 659 13.564 9.191 -18.340 132 HB3 MET 659 HB1 MET 659 12.304 10.358 -18.709 133 HG2 MET 659 HG2 MET 659 14.294 10.828 -19.993 134 HG3 MET 659 HG1 MET 659 13.982 12.129 -18.846 135 HE1 MET 659 HE1 MET 659 16.203 9.047 -19.743 136 HE2 MET 659 HE2 MET 659 15.577 8.565 -18.167 137 HE3 MET 659 HE3 MET 659 17.287 8.944 -18.357 138 H GLY 660 HN GLY 660 11.000 11.758 -17.415 139 HA2 GLY 660 HA2 GLY 660 12.063 14.388 -16.607 140 HA3 GLY 660 HA1 GLY 660 10.914 14.138 -17.914 141 H THR 661 HN THR 661 11.045 12.999 -14.556 142 HA THR 661 HA THR 661 8.285 13.901 -14.232 143 HB THR 661 HB THR 661 8.753 11.556 -13.645 144 HG1 THR 661 HG1 THR 661 8.280 12.415 -11.103 145 HG21 THR 661 HG21 THR 661 11.073 11.775 -12.918 146 HG22 THR 661 HG22 THR 661 10.095 11.007 -11.667 147 HG23 THR 661 HG23 THR 661 10.556 12.701 -11.511 148 HA PRO 662 HA PRO 662 9.555 17.517 -11.980 149 HB2 PRO 662 HB2 PRO 662 7.015 17.142 -10.496 150 HB3 PRO 662 HB1 PRO 662 7.583 18.537 -11.420 151 HG2 PRO 662 HG2 PRO 662 5.660 16.950 -12.370 152 HG3 PRO 662 HG1 PRO 662 6.887 17.650 -13.441 153 HD2 PRO 662 HD2 PRO 662 6.671 14.869 -12.365 154 HD3 PRO 662 HD1 PRO 662 7.182 15.423 -13.972 155 H MET 663 HN MET 663 8.263 14.718 -10.294 156 HA MET 663 HA MET 663 10.415 14.933 -8.354 157 HB2 MET 663 HB2 MET 663 8.542 16.102 -7.264 158 HB3 MET 663 HB1 MET 663 7.510 14.704 -7.526 159 HG2 MET 663 HG2 MET 663 8.922 13.367 -6.062 160 HG3 MET 663 HG1 MET 663 9.991 14.747 -5.820 161 HE1 MET 663 HE1 MET 663 7.728 17.225 -3.828 162 HE2 MET 663 HE2 MET 663 7.950 17.171 -5.575 163 HE3 MET 663 HE3 MET 663 9.328 16.926 -4.505 164 H VAL 664 HN VAL 664 11.049 12.928 -7.558 165 HA VAL 664 HA VAL 664 10.000 10.679 -9.092 166 HB VAL 664 HB VAL 664 12.463 10.801 -7.342 167 HG11 VAL 664 HG11 VAL 664 11.546 8.750 -9.351 168 HG12 VAL 664 HG12 VAL 664 11.662 8.541 -7.605 169 HG13 VAL 664 HG13 VAL 664 13.123 8.764 -8.563 170 HG21 VAL 664 HG21 VAL 664 12.649 12.344 -9.217 171 HG22 VAL 664 HG22 VAL 664 12.206 11.056 -10.337 172 HG23 VAL 664 HG23 VAL 664 13.721 10.961 -9.441 173 H GLU 665 HN GLU 665 8.718 9.213 -8.241 174 HA GLU 665 HA GLU 665 7.491 7.987 -6.796 175 HB2 GLU 665 HB2 GLU 665 9.855 8.436 -4.969 176 HB3 GLU 665 HB1 GLU 665 8.543 7.311 -4.646 177 HG2 GLU 665 HG2 GLU 665 9.115 6.083 -6.692 178 HG3 GLU 665 HG1 GLU 665 10.462 7.186 -6.959 179 H ASN 666 HN ASN 666 6.106 9.958 -6.903 180 HA ASN 666 HA ASN 666 5.970 11.647 -4.596 181 HB2 ASN 666 HB2 ASN 666 4.008 11.130 -6.838 182 HB3 ASN 666 HB1 ASN 666 3.706 12.275 -5.537 183 HD21 ASN 666 HD21 ASN 666 3.652 14.061 -6.842 184 HD22 ASN 666 HD22 ASN 666 5.050 14.694 -7.636 185 H ASP 667 HN ASP 667 5.684 10.629 -2.723 186 HA ASP 667 HA ASP 667 4.777 9.397 -1.048 187 HB2 ASP 667 HB2 ASP 667 2.670 10.654 -1.941 188 HB3 ASP 667 HB1 ASP 667 2.222 9.092 -2.613 189 H SER 668 HN SER 668 2.966 7.178 -1.168 190 HA SER 668 HA SER 668 4.832 5.193 -2.033 191 HB2 SER 668 HB2 SER 668 2.870 3.635 -1.385 192 HB3 SER 668 HB1 SER 668 3.618 4.605 -0.116 193 HG SER 668 HG SER 668 1.896 5.949 -0.101 194 H GLY 669 HN GLY 669 1.810 6.487 -3.316 195 HA2 GLY 669 HA2 GLY 669 0.864 6.303 -5.400 196 HA3 GLY 669 HA1 GLY 669 2.453 5.826 -5.970 197 H TYR 670 HN TYR 670 -0.479 4.632 -4.439 198 HA TYR 670 HA TYR 670 0.207 1.881 -4.781 199 HB2 TYR 670 HB2 TYR 670 -2.458 3.178 -4.177 200 HB3 TYR 670 HB1 TYR 670 -2.132 1.451 -4.094 201 HD1 TYR 670 HD1 TYR 670 -1.918 4.610 -2.375 202 HD2 TYR 670 HD2 TYR 670 -0.496 0.599 -2.377 203 HE1 TYR 670 HE1 TYR 670 -1.224 4.860 -0.030 204 HE2 TYR 670 HE2 TYR 670 0.204 0.842 -0.032 205 HH TYR 670 HH TYR 670 -0.731 3.555 1.890 206 H LYS 671 HN LYS 671 -0.800 0.382 -6.172 207 HA LYS 671 HA LYS 671 -1.970 1.544 -8.609 208 HB2 LYS 671 HB2 LYS 671 0.151 -0.604 -8.412 209 HB3 LYS 671 HB1 LYS 671 -0.708 -0.193 -9.888 210 HG2 LYS 671 HG2 LYS 671 0.265 1.985 -9.937 211 HG3 LYS 671 HG1 LYS 671 0.966 1.762 -8.332 212 HD2 LYS 671 HD2 LYS 671 2.655 1.455 -10.061 213 HD3 LYS 671 HD1 LYS 671 2.361 -0.056 -9.198 214 HE2 LYS 671 HE2 LYS 671 0.756 -0.643 -11.074 215 HE3 LYS 671 HE1 LYS 671 1.427 0.733 -11.945 216 HZ1 LYS 671 HZ1 LYS 671 2.523 -1.318 -12.570 217 HZ2 LYS 671 HZ2 LYS 671 2.954 -1.611 -10.963 218 HZ3 LYS 671 HZ3 LYS 671 3.611 -0.290 -11.785 219 H LEU 672 HN LEU 672 -3.329 0.107 -9.805 220 HA LEU 672 HA LEU 672 -4.793 -1.722 -8.135 221 HB2 LEU 672 HB2 LEU 672 -5.097 -1.071 -11.067 222 HB3 LEU 672 HB1 LEU 672 -6.211 -2.047 -10.128 223 HG LEU 672 HG LEU 672 -5.661 0.900 -9.812 224 HD11 LEU 672 HD11 LEU 672 -8.131 -0.653 -10.551 225 HD12 LEU 672 HD12 LEU 672 -7.151 0.335 -11.635 226 HD13 LEU 672 HD13 LEU 672 -8.049 1.094 -10.319 227 HD21 LEU 672 HD21 LEU 672 -5.877 -0.084 -7.609 228 HD22 LEU 672 HD22 LEU 672 -7.345 -0.925 -8.103 229 HD23 LEU 672 HD23 LEU 672 -7.326 0.836 -8.004 230 H GLY 673 HN GLY 673 -4.762 -3.883 -8.161 231 HA2 GLY 673 HA2 GLY 673 -4.153 -6.030 -8.873 232 HA3 GLY 673 HA1 GLY 673 -3.210 -5.309 -10.173 233 H GLN 674 HN GLN 674 -2.694 -3.908 -7.121 234 HA GLN 674 HA GLN 674 -0.051 -5.143 -7.002 235 HB2 GLN 674 HB2 GLN 674 -0.460 -2.617 -6.885 236 HB3 GLN 674 HB1 GLN 674 -1.074 -2.904 -5.265 237 HG2 GLN 674 HG2 GLN 674 1.243 -2.184 -5.213 238 HG3 GLN 674 HG1 GLN 674 1.077 -3.827 -4.597 239 HE21 GLN 674 HE21 GLN 674 3.234 -4.300 -5.017 240 HE22 GLN 674 HE22 GLN 674 3.820 -4.552 -6.626 241 H ARG 675 HN ARG 675 0.717 -6.236 -5.210 242 HA ARG 675 HA ARG 675 -1.325 -7.371 -3.463 243 HB2 ARG 675 HB2 ARG 675 1.609 -8.076 -3.703 244 HB3 ARG 675 HB1 ARG 675 0.396 -8.976 -2.806 245 HG2 ARG 675 HG2 ARG 675 -0.772 -9.441 -4.928 246 HG3 ARG 675 HG1 ARG 675 0.533 -8.625 -5.791 247 HD2 ARG 675 HD2 ARG 675 0.756 -11.099 -4.082 248 HD3 ARG 675 HD1 ARG 675 0.904 -11.011 -5.835 249 HE ARG 675 HE ARG 675 2.810 -9.596 -4.085 250 HH11 ARG 675 HH11 ARG 675 2.162 -11.956 -6.592 251 HH12 ARG 675 HH12 ARG 675 3.837 -12.178 -6.989 252 HH21 ARG 675 HH21 ARG 675 4.994 -9.900 -4.568 253 HH22 ARG 675 HH22 ARG 675 5.459 -11.011 -5.830 254 H VAL 676 HN VAL 676 -1.602 -6.674 -1.440 255 HA VAL 676 HA VAL 676 0.562 -5.069 -0.232 256 HB VAL 676 HB VAL 676 -1.157 -3.871 1.046 257 HG11 VAL 676 HG11 VAL 676 -2.037 -2.511 -0.776 258 HG12 VAL 676 HG12 VAL 676 -1.592 -3.770 -1.932 259 HG13 VAL 676 HG13 VAL 676 -0.338 -2.914 -1.034 260 HG21 VAL 676 HG21 VAL 676 -3.512 -4.088 0.471 261 HG22 VAL 676 HG22 VAL 676 -2.862 -5.625 1.054 262 HG23 VAL 676 HG23 VAL 676 -3.121 -5.371 -0.675 263 H ARG 677 HN ARG 677 0.825 -5.214 2.026 264 HA ARG 677 HA ARG 677 -0.437 -7.543 3.307 265 HB2 ARG 677 HB2 ARG 677 1.989 -7.869 2.509 266 HB3 ARG 677 HB1 ARG 677 2.426 -6.738 3.778 267 HG2 ARG 677 HG2 ARG 677 1.199 -8.289 5.369 268 HG3 ARG 677 HG1 ARG 677 1.207 -9.459 4.044 269 HD2 ARG 677 HD2 ARG 677 3.618 -9.385 3.945 270 HD3 ARG 677 HD1 ARG 677 3.660 -8.127 5.179 271 HE ARG 677 HE ARG 677 2.821 -10.916 5.641 272 HH11 ARG 677 HH11 ARG 677 4.128 -7.875 6.782 273 HH12 ARG 677 HH12 ARG 677 4.505 -8.482 8.360 274 HH21 ARG 677 HH21 ARG 677 3.306 -11.721 7.725 275 HH22 ARG 677 HH22 ARG 677 4.020 -10.665 8.906 276 H HIS 678 HN HIS 678 -1.289 -7.093 5.247 277 HA HIS 678 HA HIS 678 -0.120 -5.007 6.919 278 HB2 HIS 678 HB2 HIS 678 -2.063 -4.133 5.370 279 HB3 HIS 678 HB1 HIS 678 -3.092 -4.963 6.532 280 HD1 HIS 678 HD1 HIS 678 -0.230 -2.446 6.695 281 HD2 HIS 678 HD2 HIS 678 -3.858 -3.318 8.520 282 HE1 HIS 678 HE1 HIS 678 -0.582 -0.629 8.393 283 HE2 HIS 678 HE2 HIS 678 -2.858 -1.089 9.374 284 H ALA 679 HN ALA 679 0.179 -6.001 8.800 285 HA ALA 679 HA ALA 679 -0.614 -8.548 9.437 286 HB1 ALA 679 HB1 ALA 679 1.212 -7.264 10.511 287 HB2 ALA 679 HB2 ALA 679 0.193 -8.139 11.653 288 HB3 ALA 679 HB3 ALA 679 -0.005 -6.396 11.453 289 H LYS 680 HN LYS 680 -2.488 -5.665 9.842 290 HA LYS 680 HA LYS 680 -4.126 -6.652 11.974 291 HB2 LYS 680 HB2 LYS 680 -4.691 -4.367 10.101 292 HB3 LYS 680 HB1 LYS 680 -5.425 -4.634 11.666 293 HG2 LYS 680 HG2 LYS 680 -2.538 -3.981 11.131 294 HG3 LYS 680 HG1 LYS 680 -3.763 -2.880 11.764 295 HD2 LYS 680 HD2 LYS 680 -3.086 -5.455 13.113 296 HD3 LYS 680 HD1 LYS 680 -2.183 -3.979 13.434 297 HE2 LYS 680 HE2 LYS 680 -5.152 -4.382 13.814 298 HE3 LYS 680 HE1 LYS 680 -3.944 -4.317 15.095 299 HZ1 LYS 680 HZ1 LYS 680 -4.588 -2.090 13.237 300 HZ2 LYS 680 HZ2 LYS 680 -3.469 -2.033 14.504 301 HZ3 LYS 680 HZ3 LYS 680 -5.118 -2.213 14.839 302 H PHE 681 HN PHE 681 -4.304 -6.683 8.474 303 HA PHE 681 HA PHE 681 -6.937 -7.989 8.682 304 HB2 PHE 681 HB2 PHE 681 -6.006 -6.022 6.587 305 HB3 PHE 681 HB1 PHE 681 -7.524 -6.911 6.521 306 HD1 PHE 681 HD1 PHE 681 -6.298 -3.814 7.092 307 HD2 PHE 681 HD2 PHE 681 -8.752 -6.711 9.020 308 HE1 PHE 681 HE1 PHE 681 -7.372 -2.031 8.403 309 HE2 PHE 681 HE2 PHE 681 -9.833 -4.930 10.328 310 HZ PHE 681 HZ PHE 681 -9.142 -2.587 10.021 311 H GLY 682 HN GLY 682 -3.751 -8.164 7.540 312 HA2 GLY 682 HA2 GLY 682 -2.917 -10.279 6.742 313 HA3 GLY 682 HA1 GLY 682 -4.460 -10.536 5.940 314 H GLU 683 HN GLU 683 -3.370 -10.929 3.971 315 HA GLU 683 HA GLU 683 -2.272 -8.512 2.715 316 HB2 GLU 683 HB2 GLU 683 -1.051 -9.996 1.177 317 HB3 GLU 683 HB1 GLU 683 -0.596 -10.282 2.848 318 HG2 GLU 683 HG2 GLU 683 -2.602 -11.972 1.386 319 HG3 GLU 683 HG1 GLU 683 -0.876 -12.320 1.404 320 H GLY 684 HN GLY 684 -2.943 -8.020 0.574 321 HA2 GLY 684 HA2 GLY 684 -5.031 -9.656 -0.602 322 HA3 GLY 684 HA1 GLY 684 -5.576 -8.107 0.022 323 H THR 685 HN THR 685 -6.114 -8.259 -2.429 324 HA THR 685 HA THR 685 -3.903 -7.030 -3.933 325 HB THR 685 HB THR 685 -6.364 -8.331 -5.104 326 HG1 THR 685 HG1 THR 685 -4.073 -9.744 -5.460 327 HG21 THR 685 HG21 THR 685 -5.032 -8.376 -7.156 328 HG22 THR 685 HG22 THR 685 -3.693 -7.600 -6.308 329 HG23 THR 685 HG23 THR 685 -5.208 -6.730 -6.549 330 H ILE 686 HN ILE 686 -4.134 -4.924 -4.395 331 HA ILE 686 HA ILE 686 -6.515 -3.487 -3.759 332 HB ILE 686 HB ILE 686 -4.211 -2.538 -5.473 333 HG12 ILE 686 HG12 ILE 686 -4.574 -2.335 -2.472 334 HG13 ILE 686 HG11 ILE 686 -3.405 -3.369 -3.289 335 HG21 ILE 686 HG21 ILE 686 -6.203 -1.143 -5.610 336 HG22 ILE 686 HG22 ILE 686 -4.916 -0.307 -4.739 337 HG23 ILE 686 HG23 ILE 686 -6.261 -1.026 -3.851 338 HD11 ILE 686 HD11 ILE 686 -2.307 -1.376 -4.203 339 HD12 ILE 686 HD12 ILE 686 -2.344 -1.365 -2.440 340 HD13 ILE 686 HD13 ILE 686 -3.467 -0.358 -3.350 341 H VAL 687 HN VAL 687 -8.309 -3.865 -4.923 342 HA VAL 687 HA VAL 687 -8.083 -4.369 -7.792 343 HB VAL 687 HB VAL 687 -10.474 -4.985 -7.684 344 HG11 VAL 687 HG11 VAL 687 -10.187 -7.033 -6.356 345 HG12 VAL 687 HG12 VAL 687 -8.725 -6.353 -5.643 346 HG13 VAL 687 HG13 VAL 687 -8.783 -6.699 -7.371 347 HG21 VAL 687 HG21 VAL 687 -10.195 -4.466 -4.723 348 HG22 VAL 687 HG22 VAL 687 -11.592 -5.192 -5.518 349 HG23 VAL 687 HG23 VAL 687 -11.159 -3.514 -5.854 350 H ASN 688 HN ASN 688 -9.069 -1.927 -5.576 351 HA ASN 688 HA ASN 688 -9.551 -0.109 -7.784 352 HB2 ASN 688 HB2 ASN 688 -11.785 -1.170 -7.182 353 HB3 ASN 688 HB1 ASN 688 -11.637 -0.384 -5.620 354 HD21 ASN 688 HD21 ASN 688 -12.015 1.777 -5.425 355 HD22 ASN 688 HD22 ASN 688 -12.623 2.751 -6.723 356 H MET 689 HN MET 689 -9.665 2.151 -7.006 357 HA MET 689 HA MET 689 -8.946 2.683 -4.280 358 HB2 MET 689 HB2 MET 689 -6.771 3.459 -4.533 359 HB3 MET 689 HB1 MET 689 -6.779 2.025 -5.542 360 HG2 MET 689 HG2 MET 689 -7.014 4.873 -6.488 361 HG3 MET 689 HG1 MET 689 -5.593 3.841 -6.612 362 HE1 MET 689 HE1 MET 689 -5.289 4.165 -9.200 363 HE2 MET 689 HE2 MET 689 -6.569 5.368 -9.070 364 HE3 MET 689 HE3 MET 689 -6.638 4.142 -10.334 365 H GLU 690 HN GLU 690 -8.854 4.980 -3.827 366 HA GLU 690 HA GLU 690 -10.211 6.604 -5.890 367 HB2 GLU 690 HB2 GLU 690 -10.728 6.597 -2.905 368 HB3 GLU 690 HB1 GLU 690 -11.479 7.686 -4.063 369 HG2 GLU 690 HG2 GLU 690 -12.649 5.888 -5.105 370 HG3 GLU 690 HG1 GLU 690 -11.757 4.694 -4.165 371 H GLY 691 HN GLY 691 -9.073 8.368 -6.403 372 HA2 GLY 691 HA2 GLY 691 -7.676 10.190 -6.186 373 HA3 GLY 691 HA1 GLY 691 -7.661 9.915 -4.451 374 H SER 692 HN SER 692 -5.358 10.609 -4.915 375 HA SER 692 HA SER 692 -3.727 8.233 -4.817 376 HB2 SER 692 HB2 SER 692 -3.211 10.340 -6.936 377 HB3 SER 692 HB1 SER 692 -2.135 8.997 -6.551 378 HG SER 692 HG SER 692 -4.640 8.097 -6.997 379 H GLY 693 HN GLY 693 -3.147 8.772 -2.746 380 HA2 GLY 693 HA2 GLY 693 -0.963 10.166 -2.107 381 HA3 GLY 693 HA1 GLY 693 -2.171 11.440 -2.161 382 H GLU 694 HN GLU 694 -2.719 11.982 -0.166 383 HA GLU 694 HA GLU 694 -2.369 10.114 2.013 384 HB2 GLU 694 HB2 GLU 694 -3.230 13.001 2.016 385 HB3 GLU 694 HB1 GLU 694 -2.822 12.057 3.440 386 HG2 GLU 694 HG2 GLU 694 -0.545 11.828 2.679 387 HG3 GLU 694 HG1 GLU 694 -0.936 12.669 1.180 388 H HIS 695 HN HIS 695 -5.082 12.189 0.907 389 HA HIS 695 HA HIS 695 -6.858 10.816 2.750 390 HB2 HIS 695 HB2 HIS 695 -8.566 12.436 2.047 391 HB3 HIS 695 HB1 HIS 695 -7.085 13.236 2.548 392 HD1 HIS 695 HD1 HIS 695 -6.020 14.811 0.900 393 HD2 HIS 695 HD2 HIS 695 -9.009 12.483 -0.817 394 HE1 HIS 695 HE1 HIS 695 -6.402 15.779 -1.389 395 HE2 HIS 695 HE2 HIS 695 -8.169 14.319 -2.435 396 H SER 696 HN SER 696 -5.661 9.541 0.365 397 HA SER 696 HA SER 696 -7.885 8.935 -1.368 398 HB2 SER 696 HB2 SER 696 -5.137 7.681 -1.250 399 HB3 SER 696 HB1 SER 696 -6.273 7.631 -2.600 400 HG SER 696 HG SER 696 -6.090 10.029 -2.501 401 H ARG 697 HN ARG 697 -8.777 6.836 -1.607 402 HA ARG 697 HA ARG 697 -8.373 5.095 0.736 403 HB2 ARG 697 HB2 ARG 697 -10.861 5.443 -0.944 404 HB3 ARG 697 HB1 ARG 697 -10.673 4.276 0.357 405 HG2 ARG 697 HG2 ARG 697 -10.368 6.107 1.950 406 HG3 ARG 697 HG1 ARG 697 -10.584 7.270 0.641 407 HD2 ARG 697 HD2 ARG 697 -12.831 6.476 0.254 408 HD3 ARG 697 HD1 ARG 697 -12.622 5.206 1.458 409 HE ARG 697 HE ARG 697 -12.216 7.840 2.516 410 HH11 ARG 697 HH11 ARG 697 -14.629 5.453 1.679 411 HH12 ARG 697 HH12 ARG 697 -15.789 6.027 2.834 412 HH21 ARG 697 HH21 ARG 697 -13.738 8.601 4.053 413 HH22 ARG 697 HH22 ARG 697 -15.273 7.805 4.203 414 H LEU 698 HN LEU 698 -8.139 2.902 0.393 415 HA LEU 698 HA LEU 698 -7.852 2.075 -2.426 416 HB2 LEU 698 HB2 LEU 698 -6.467 0.784 -0.092 417 HB3 LEU 698 HB1 LEU 698 -6.099 0.622 -1.796 418 HG LEU 698 HG LEU 698 -5.691 3.163 -0.226 419 HD11 LEU 698 HD11 LEU 698 -3.720 1.012 -0.987 420 HD12 LEU 698 HD12 LEU 698 -4.258 1.409 0.645 421 HD13 LEU 698 HD13 LEU 698 -3.309 2.574 -0.278 422 HD21 LEU 698 HD21 LEU 698 -5.980 3.521 -2.611 423 HD22 LEU 698 HD22 LEU 698 -4.765 2.293 -2.963 424 HD23 LEU 698 HD23 LEU 698 -4.299 3.788 -2.152 425 H GLN 699 HN GLN 699 -9.014 0.318 -3.063 426 HA GLN 699 HA GLN 699 -10.459 -1.127 -0.960 427 HB2 GLN 699 HB2 GLN 699 -11.012 -0.753 -3.881 428 HB3 GLN 699 HB1 GLN 699 -11.750 -2.073 -2.982 429 HG2 GLN 699 HG2 GLN 699 -13.334 -0.386 -2.890 430 HG3 GLN 699 HG1 GLN 699 -12.506 -0.287 -1.336 431 HE21 GLN 699 HE21 GLN 699 -13.040 1.847 -1.010 432 HE22 GLN 699 HE22 GLN 699 -12.365 3.146 -1.936 433 H VAL 700 HN VAL 700 -9.433 -2.760 -0.268 434 HA VAL 700 HA VAL 700 -7.657 -4.249 -2.077 435 HB VAL 700 HB VAL 700 -7.665 -4.306 0.940 436 HG11 VAL 700 HG11 VAL 700 -5.657 -5.273 -1.090 437 HG12 VAL 700 HG12 VAL 700 -6.708 -6.280 -0.093 438 HG13 VAL 700 HG13 VAL 700 -5.445 -5.307 0.662 439 HG21 VAL 700 HG21 VAL 700 -5.731 -2.835 0.871 440 HG22 VAL 700 HG22 VAL 700 -7.124 -2.053 0.120 441 HG23 VAL 700 HG23 VAL 700 -5.847 -2.736 -0.887 442 H ALA 701 HN ALA 701 -8.246 -6.199 -2.704 443 HA ALA 701 HA ALA 701 -10.427 -7.573 -1.364 444 HB1 ALA 701 HB1 ALA 701 -10.342 -7.493 -3.824 445 HB2 ALA 701 HB2 ALA 701 -10.305 -9.147 -3.213 446 HB3 ALA 701 HB3 ALA 701 -8.822 -8.387 -3.788 447 H PHE 702 HN PHE 702 -9.631 -8.257 0.584 448 HA PHE 702 HA PHE 702 -7.087 -9.561 0.821 449 HB2 PHE 702 HB2 PHE 702 -9.398 -9.203 2.733 450 HB3 PHE 702 HB1 PHE 702 -7.921 -10.056 3.163 451 HD1 PHE 702 HD1 PHE 702 -9.462 -6.822 2.593 452 HD2 PHE 702 HD2 PHE 702 -5.794 -8.850 3.324 453 HE1 PHE 702 HE1 PHE 702 -8.407 -4.687 3.215 454 HE2 PHE 702 HE2 PHE 702 -4.734 -6.720 3.946 455 HZ PHE 702 HZ PHE 702 -6.042 -4.634 3.893 456 H GLN 703 HN GLN 703 -6.634 -11.660 0.807 457 HA GLN 703 HA GLN 703 -8.448 -13.417 -0.482 458 HB2 GLN 703 HB2 GLN 703 -6.007 -13.503 -0.809 459 HB3 GLN 703 HB1 GLN 703 -5.803 -14.009 0.860 460 HG2 GLN 703 HG2 GLN 703 -5.611 -15.903 -0.614 461 HG3 GLN 703 HG1 GLN 703 -7.055 -16.060 0.382 462 HE21 GLN 703 HE21 GLN 703 -6.765 -13.963 -2.418 463 HE22 GLN 703 HE22 GLN 703 -7.905 -14.814 -3.399 464 H GLY 704 HN GLY 704 -7.716 -12.777 2.839 465 HA2 GLY 704 HA2 GLY 704 -8.839 -15.310 3.734 466 HA3 GLY 704 HA1 GLY 704 -8.108 -14.079 4.749 467 H GLN 705 HN GLN 705 -10.215 -12.487 2.749 468 HA GLN 705 HA GLN 705 -12.654 -13.182 4.100 469 HB2 GLN 705 HB2 GLN 705 -11.478 -11.681 5.730 470 HB3 GLN 705 HB1 GLN 705 -11.588 -10.395 4.536 471 HG2 GLN 705 HG2 GLN 705 -13.999 -10.493 4.596 472 HG3 GLN 705 HG1 GLN 705 -13.939 -11.855 5.714 473 HE21 GLN 705 HE21 GLN 705 -11.652 -10.670 7.164 474 HE22 GLN 705 HE22 GLN 705 -12.331 -9.412 8.134 475 H GLY 706 HN GLY 706 -11.682 -10.046 2.707 476 HA2 GLY 706 HA2 GLY 706 -12.714 -10.500 0.138 477 HA3 GLY 706 HA1 GLY 706 -14.007 -9.860 1.141 478 H ILE 707 HN ILE 707 -14.062 -8.016 -0.235 479 HA ILE 707 HA ILE 707 -11.726 -6.344 -0.477 480 HB ILE 707 HB ILE 707 -14.582 -5.784 -1.297 481 HG12 ILE 707 HG12 ILE 707 -12.236 -6.799 -2.921 482 HG13 ILE 707 HG11 ILE 707 -13.626 -7.758 -2.425 483 HG21 ILE 707 HG21 ILE 707 -13.595 -4.072 -2.757 484 HG22 ILE 707 HG22 ILE 707 -12.008 -4.410 -2.066 485 HG23 ILE 707 HG23 ILE 707 -13.287 -3.741 -1.053 486 HD11 ILE 707 HD11 ILE 707 -15.083 -6.347 -3.778 487 HD12 ILE 707 HD12 ILE 707 -13.802 -7.074 -4.746 488 HD13 ILE 707 HD13 ILE 707 -13.692 -5.380 -4.268 489 H LYS 708 HN LYS 708 -11.238 -4.558 0.639 490 HA LYS 708 HA LYS 708 -13.210 -3.441 2.508 491 HB2 LYS 708 HB2 LYS 708 -10.369 -4.230 3.138 492 HB3 LYS 708 HB1 LYS 708 -11.299 -3.125 4.138 493 HG2 LYS 708 HG2 LYS 708 -12.895 -4.822 4.648 494 HG3 LYS 708 HG1 LYS 708 -12.151 -5.932 3.490 495 HD2 LYS 708 HD2 LYS 708 -10.058 -5.812 4.854 496 HD3 LYS 708 HD1 LYS 708 -10.966 -4.894 6.058 497 HE2 LYS 708 HE2 LYS 708 -11.567 -7.692 5.106 498 HE3 LYS 708 HE1 LYS 708 -10.872 -7.246 6.665 499 HZ1 LYS 708 HZ1 LYS 708 -12.913 -6.050 7.183 500 HZ2 LYS 708 HZ2 LYS 708 -13.229 -7.681 6.868 501 HZ3 LYS 708 HZ3 LYS 708 -13.583 -6.511 5.699 502 H TRP 709 HN TRP 709 -12.710 -1.273 3.182 503 HA TRP 709 HA TRP 709 -11.214 0.214 1.148 504 HB2 TRP 709 HB2 TRP 709 -12.491 2.181 1.932 505 HB3 TRP 709 HB1 TRP 709 -13.561 0.878 1.422 506 HD1 TRP 709 HD1 TRP 709 -14.458 -0.715 3.612 507 HE1 TRP 709 HE1 TRP 709 -15.285 0.108 5.898 508 HE3 TRP 709 HE3 TRP 709 -12.398 3.958 3.572 509 HZ2 TRP 709 HZ2 TRP 709 -15.107 2.450 7.474 510 HZ3 TRP 709 HZ3 TRP 709 -12.777 5.432 5.506 511 HH2 TRP 709 HH2 TRP 709 -14.105 4.691 7.417 512 H LEU 710 HN LEU 710 -9.272 0.924 1.670 513 HA LEU 710 HA LEU 710 -8.657 1.389 4.517 514 HB2 LEU 710 HB2 LEU 710 -6.937 0.324 2.283 515 HB3 LEU 710 HB1 LEU 710 -6.238 0.998 3.738 516 HG LEU 710 HG LEU 710 -6.227 -1.383 3.941 517 HD11 LEU 710 HD11 LEU 710 -7.494 -1.713 5.971 518 HD12 LEU 710 HD12 LEU 710 -8.494 -0.306 5.613 519 HD13 LEU 710 HD13 LEU 710 -6.777 -0.103 5.964 520 HD21 LEU 710 HD21 LEU 710 -8.284 -2.725 3.861 521 HD22 LEU 710 HD22 LEU 710 -7.925 -1.957 2.315 522 HD23 LEU 710 HD23 LEU 710 -9.185 -1.295 3.356 523 H VAL 711 HN VAL 711 -8.619 3.523 4.896 524 HA VAL 711 HA VAL 711 -8.100 5.495 2.920 525 HB VAL 711 HB VAL 711 -7.911 5.742 5.933 526 HG11 VAL 711 HG11 VAL 711 -6.706 7.535 4.803 527 HG12 VAL 711 HG12 VAL 711 -8.176 8.150 5.560 528 HG13 VAL 711 HG13 VAL 711 -8.126 7.884 3.816 529 HG21 VAL 711 HG21 VAL 711 -10.160 6.671 5.814 530 HG22 VAL 711 HG22 VAL 711 -10.131 5.035 5.155 531 HG23 VAL 711 HG23 VAL 711 -10.185 6.423 4.069 532 H ALA 712 HN ALA 712 -6.243 5.827 1.965 533 HA ALA 712 HA ALA 712 -3.998 4.362 2.252 534 HB1 ALA 712 HB1 ALA 712 -4.038 7.198 1.255 535 HB2 ALA 712 HB2 ALA 712 -4.568 5.791 0.333 536 HB3 ALA 712 HB3 ALA 712 -2.879 5.939 0.825 537 H ALA 713 HN ALA 713 -4.421 7.577 3.734 538 HA ALA 713 HA ALA 713 -1.832 7.860 4.747 539 HB1 ALA 713 HB1 ALA 713 -3.458 9.687 4.583 540 HB2 ALA 713 HB2 ALA 713 -2.745 9.575 6.192 541 HB3 ALA 713 HB3 ALA 713 -4.379 8.975 5.907 542 H TYR 714 HN TYR 714 -4.627 6.216 6.122 543 HA TYR 714 HA TYR 714 -3.083 5.597 8.546 544 HB2 TYR 714 HB2 TYR 714 -6.025 5.270 7.921 545 HB3 TYR 714 HB1 TYR 714 -5.269 4.740 9.418 546 HD1 TYR 714 HD1 TYR 714 -4.457 6.374 11.048 547 HD2 TYR 714 HD2 TYR 714 -6.467 7.603 7.505 548 HE1 TYR 714 HE1 TYR 714 -4.806 8.600 12.026 549 HE2 TYR 714 HE2 TYR 714 -6.820 9.835 8.476 550 HH TYR 714 HH TYR 714 -6.950 10.867 10.707 551 H ALA 715 HN ALA 715 -4.000 4.338 5.584 552 HA ALA 715 HA ALA 715 -4.243 1.587 6.224 553 HB1 ALA 715 HB1 ALA 715 -3.481 2.845 3.593 554 HB2 ALA 715 HB2 ALA 715 -5.134 2.621 4.161 555 HB3 ALA 715 HB3 ALA 715 -4.112 1.217 3.841 556 H ARG 716 HN ARG 716 -1.640 3.383 4.583 557 HA ARG 716 HA ARG 716 0.586 2.967 4.347 558 HB2 ARG 716 HB2 ARG 716 0.154 2.150 7.216 559 HB3 ARG 716 HB1 ARG 716 1.744 2.344 6.488 560 HG2 ARG 716 HG2 ARG 716 1.309 4.675 6.060 561 HG3 ARG 716 HG1 ARG 716 -0.343 4.506 6.656 562 HD2 ARG 716 HD2 ARG 716 1.139 5.514 8.321 563 HD3 ARG 716 HD1 ARG 716 0.480 3.972 8.865 564 HE ARG 716 HE ARG 716 2.740 3.072 8.023 565 HH11 ARG 716 HH11 ARG 716 2.260 6.210 9.509 566 HH12 ARG 716 HH12 ARG 716 3.864 6.280 10.165 567 HH21 ARG 716 HH21 ARG 716 4.845 3.168 8.879 568 HH22 ARG 716 HH22 ARG 716 5.335 4.552 9.806 569 H LEU 717 HN LEU 717 -0.172 1.173 2.842 570 HA LEU 717 HA LEU 717 0.118 -1.510 3.912 571 HB2 LEU 717 HB2 LEU 717 -0.847 -0.378 1.325 572 HB3 LEU 717 HB1 LEU 717 -0.303 -2.039 1.366 573 HG LEU 717 HG LEU 717 -2.698 -1.997 1.588 574 HD11 LEU 717 HD11 LEU 717 -1.497 -2.560 4.288 575 HD12 LEU 717 HD12 LEU 717 -1.460 -3.665 2.917 576 HD13 LEU 717 HD13 LEU 717 -3.002 -3.213 3.642 577 HD21 LEU 717 HD21 LEU 717 -3.812 -0.881 3.445 578 HD22 LEU 717 HD22 LEU 717 -2.978 0.261 2.390 579 HD23 LEU 717 HD23 LEU 717 -2.270 -0.184 3.944 580 H GLU 718 HN GLU 718 1.728 -2.895 3.504 581 HA GLU 718 HA GLU 718 4.032 -1.911 1.978 582 HB2 GLU 718 HB2 GLU 718 4.493 -2.652 4.268 583 HB3 GLU 718 HB1 GLU 718 3.766 -4.216 3.926 584 HG2 GLU 718 HG2 GLU 718 5.534 -4.877 2.567 585 HG3 GLU 718 HG1 GLU 718 6.115 -3.225 2.361 586 H SER 719 HN SER 719 4.698 -2.952 0.128 587 HA SER 719 HA SER 719 2.701 -4.597 -1.121 588 HB2 SER 719 HB2 SER 719 3.962 -2.804 -2.327 589 HB3 SER 719 HB1 SER 719 5.415 -3.793 -2.190 590 HG SER 719 HG SER 719 4.391 -5.387 -3.426 591 H VAL 720 HN VAL 720 2.734 -6.734 -1.470 592 HA VAL 720 HA VAL 720 4.598 -8.344 0.012 593 HB VAL 720 HB VAL 720 2.553 -9.341 -1.976 594 HG11 VAL 720 HG11 VAL 720 4.218 -10.970 -1.196 595 HG12 VAL 720 HG12 VAL 720 2.592 -11.365 -0.636 596 HG13 VAL 720 HG13 VAL 720 3.751 -10.630 0.472 597 HG21 VAL 720 HG21 VAL 720 2.127 -8.855 0.963 598 HG22 VAL 720 HG22 VAL 720 0.950 -9.484 -0.187 599 HG23 VAL 720 HG23 VAL 720 1.511 -7.817 -0.321 Start of MODEL 10 1 H1 ARG 645 HT1 ARG 645 -6.395 -2.063 21.183 2 H2 ARG 645 HT2 ARG 645 -5.166 -1.076 21.795 3 H3 ARG 645 HT3 ARG 645 -4.776 -2.502 20.984 4 HA ARG 645 HA ARG 645 -6.133 -0.177 19.773 5 HB2 ARG 645 HB2 ARG 645 -3.738 0.217 20.398 6 HB3 ARG 645 HB1 ARG 645 -3.294 -1.132 19.363 7 HG2 ARG 645 HG2 ARG 645 -2.920 0.904 18.169 8 HG3 ARG 645 HG1 ARG 645 -4.301 0.077 17.445 9 HD2 ARG 645 HD2 ARG 645 -4.796 2.425 17.631 10 HD3 ARG 645 HD1 ARG 645 -5.808 1.529 18.760 11 HE ARG 645 HE ARG 645 -3.325 2.703 19.763 12 HH11 ARG 645 HH11 ARG 645 -6.829 2.759 19.639 13 HH12 ARG 645 HH12 ARG 645 -6.980 3.873 20.959 14 HH21 ARG 645 HH21 ARG 645 -3.525 4.171 21.493 15 HH22 ARG 645 HH22 ARG 645 -5.104 4.678 22.011 16 H LEU 646 HN LEU 646 -4.145 -3.033 18.994 17 HA LEU 646 HA LEU 646 -5.517 -3.380 16.479 18 HB2 LEU 646 HB2 LEU 646 -3.142 -3.810 16.559 19 HB3 LEU 646 HB1 LEU 646 -3.352 -4.965 17.860 20 HG LEU 646 HG LEU 646 -4.548 -6.474 16.327 21 HD11 LEU 646 HD11 LEU 646 -3.882 -4.411 14.235 22 HD12 LEU 646 HD12 LEU 646 -5.495 -4.838 14.807 23 HD13 LEU 646 HD13 LEU 646 -4.534 -6.018 13.918 24 HD21 LEU 646 HD21 LEU 646 -2.148 -6.723 16.624 25 HD22 LEU 646 HD22 LEU 646 -1.854 -5.563 15.329 26 HD23 LEU 646 HD23 LEU 646 -2.613 -7.113 14.968 27 H ARG 647 HN ARG 647 -7.157 -4.728 16.088 28 HA ARG 647 HA ARG 647 -8.281 -6.231 18.309 29 HB2 ARG 647 HB2 ARG 647 -9.660 -4.760 16.800 30 HB3 ARG 647 HB1 ARG 647 -9.359 -5.903 15.500 31 HG2 ARG 647 HG2 ARG 647 -10.496 -7.652 16.772 32 HG3 ARG 647 HG1 ARG 647 -10.793 -6.506 18.081 33 HD2 ARG 647 HD2 ARG 647 -11.775 -6.155 15.253 34 HD3 ARG 647 HD1 ARG 647 -12.736 -6.847 16.559 35 HE ARG 647 HE ARG 647 -11.653 -4.240 17.143 36 HH11 ARG 647 HH11 ARG 647 -14.314 -5.990 15.707 37 HH12 ARG 647 HH12 ARG 647 -15.453 -4.704 15.941 38 HH21 ARG 647 HH21 ARG 647 -13.154 -2.542 17.451 39 HH22 ARG 647 HH22 ARG 647 -14.796 -2.747 16.935 40 H ALA 648 HN ALA 648 -5.845 -7.234 17.406 41 HA ALA 648 HA ALA 648 -6.599 -9.936 16.727 42 HB1 ALA 648 HB1 ALA 648 -6.367 -8.925 14.505 43 HB2 ALA 648 HB2 ALA 648 -5.115 -10.132 14.801 44 HB3 ALA 648 HB3 ALA 648 -4.729 -8.415 14.910 45 H THR 649 HN THR 649 -5.783 -9.791 19.017 46 HA THR 649 HA THR 649 -2.997 -9.244 19.410 47 HB THR 649 HB THR 649 -4.743 -8.800 21.147 48 HG1 THR 649 HG1 THR 649 -2.297 -9.504 21.456 49 HG21 THR 649 HG21 THR 649 -5.471 -10.665 22.566 50 HG22 THR 649 HG22 THR 649 -4.681 -11.800 21.472 51 HG23 THR 649 HG23 THR 649 -6.050 -10.844 20.912 52 H VAL 650 HN VAL 650 -4.660 -11.935 18.263 53 HA VAL 650 HA VAL 650 -3.064 -14.025 19.328 54 HB VAL 650 HB VAL 650 -5.245 -14.357 18.153 55 HG11 VAL 650 HG11 VAL 650 -4.907 -12.870 16.263 56 HG12 VAL 650 HG12 VAL 650 -5.294 -14.503 15.720 57 HG13 VAL 650 HG13 VAL 650 -3.629 -13.923 15.656 58 HG21 VAL 650 HG21 VAL 650 -4.597 -16.448 17.024 59 HG22 VAL 650 HG22 VAL 650 -3.830 -16.254 18.599 60 HG23 VAL 650 HG23 VAL 650 -2.909 -15.948 17.127 61 H SER 651 HN SER 651 -2.597 -11.681 16.845 62 HA SER 651 HA SER 651 -0.186 -13.067 15.954 63 HB2 SER 651 HB2 SER 651 -0.360 -11.331 14.037 64 HB3 SER 651 HB1 SER 651 -1.508 -12.669 14.055 65 HG SER 651 HG SER 651 -2.109 -10.203 15.303 66 H ARG 652 HN ARG 652 1.796 -12.024 15.994 67 HA ARG 652 HA ARG 652 1.929 -9.698 17.747 68 HB2 ARG 652 HB2 ARG 652 3.403 -11.618 18.220 69 HB3 ARG 652 HB1 ARG 652 4.142 -11.438 16.637 70 HG2 ARG 652 HG2 ARG 652 5.066 -9.308 17.246 71 HG3 ARG 652 HG1 ARG 652 4.202 -9.332 18.785 72 HD2 ARG 652 HD2 ARG 652 6.530 -9.939 19.111 73 HD3 ARG 652 HD1 ARG 652 5.485 -11.312 19.462 74 HE ARG 652 HE ARG 652 6.278 -11.504 16.793 75 HH11 ARG 652 HH11 ARG 652 7.743 -11.603 19.969 76 HH12 ARG 652 HH12 ARG 652 9.008 -12.689 19.495 77 HH21 ARG 652 HH21 ARG 652 7.954 -12.936 16.159 78 HH22 ARG 652 HH22 ARG 652 9.130 -13.442 17.328 79 HA PRO 653 HA PRO 653 2.164 -7.345 13.956 80 HB2 PRO 653 HB2 PRO 653 1.825 -4.910 15.063 81 HB3 PRO 653 HB1 PRO 653 0.492 -6.055 14.870 82 HG2 PRO 653 HG2 PRO 653 2.097 -5.407 17.305 83 HG3 PRO 653 HG1 PRO 653 0.357 -5.701 17.156 84 HD2 PRO 653 HD2 PRO 653 2.160 -7.573 18.034 85 HD3 PRO 653 HD1 PRO 653 0.608 -7.968 17.272 86 H VAL 654 HN VAL 654 4.508 -8.113 14.062 87 HA VAL 654 HA VAL 654 6.439 -6.226 15.043 88 HB VAL 654 HB VAL 654 6.936 -8.630 14.926 89 HG11 VAL 654 HG11 VAL 654 5.739 -9.224 12.909 90 HG12 VAL 654 HG12 VAL 654 7.428 -9.717 12.788 91 HG13 VAL 654 HG13 VAL 654 6.867 -8.278 11.937 92 HG21 VAL 654 HG21 VAL 654 9.183 -8.473 13.957 93 HG22 VAL 654 HG22 VAL 654 8.789 -7.071 14.950 94 HG23 VAL 654 HG23 VAL 654 8.737 -6.949 13.192 95 H SER 655 HN SER 655 4.843 -4.704 13.678 96 HA SER 655 HA SER 655 5.623 -4.452 10.903 97 HB2 SER 655 HB2 SER 655 3.276 -4.064 11.621 98 HB3 SER 655 HB1 SER 655 3.818 -2.693 12.587 99 HG SER 655 HG SER 655 4.570 -2.684 9.907 100 H HIS 656 HN HIS 656 7.411 -3.439 10.351 101 HA HIS 656 HA HIS 656 8.440 -1.309 12.089 102 HB2 HIS 656 HB2 HIS 656 9.761 -3.073 10.035 103 HB3 HIS 656 HB1 HIS 656 10.530 -1.601 10.615 104 HD1 HIS 656 HD1 HIS 656 11.554 -1.646 12.952 105 HD2 HIS 656 HD2 HIS 656 9.555 -5.154 11.958 106 HE1 HIS 656 HE1 HIS 656 12.174 -3.309 14.733 107 HE2 HIS 656 HE2 HIS 656 11.081 -5.462 14.027 108 H GLN 657 HN GLN 657 8.211 0.719 11.476 109 HA GLN 657 HA GLN 657 6.792 1.276 9.051 110 HB2 GLN 657 HB2 GLN 657 7.936 3.230 11.053 111 HB3 GLN 657 HB1 GLN 657 6.736 3.586 9.821 112 HG2 GLN 657 HG2 GLN 657 5.523 3.408 11.804 113 HG3 GLN 657 HG1 GLN 657 5.263 1.870 10.984 114 HE21 GLN 657 HE21 GLN 657 4.756 0.808 12.888 115 HE22 GLN 657 HE22 GLN 657 5.947 0.418 14.079 116 H ARG 658 HN ARG 658 10.057 1.442 10.137 117 HA ARG 658 HA ARG 658 12.024 1.936 9.146 118 HB2 ARG 658 HB2 ARG 658 10.417 1.973 6.583 119 HB3 ARG 658 HB1 ARG 658 12.171 1.994 6.677 120 HG2 ARG 658 HG2 ARG 658 10.355 -0.226 7.592 121 HG3 ARG 658 HG1 ARG 658 11.399 -0.231 6.169 122 HD2 ARG 658 HD2 ARG 658 13.365 -0.064 7.596 123 HD3 ARG 658 HD1 ARG 658 12.338 -0.010 9.026 124 HE ARG 658 HE ARG 658 11.791 -2.340 7.525 125 HH11 ARG 658 HH11 ARG 658 14.218 -0.945 9.620 126 HH12 ARG 658 HH12 ARG 658 14.798 -2.477 10.189 127 HH21 ARG 658 HH21 ARG 658 12.551 -4.369 8.273 128 HH22 ARG 658 HH22 ARG 658 13.846 -4.422 9.431 129 H MET 659 HN MET 659 10.056 3.811 6.886 130 HA MET 659 HA MET 659 9.922 6.033 6.446 131 HB2 MET 659 HB2 MET 659 8.698 5.895 8.595 132 HB3 MET 659 HB1 MET 659 10.187 6.263 9.449 133 HG2 MET 659 HG2 MET 659 10.277 8.448 8.456 134 HG3 MET 659 HG1 MET 659 8.887 8.082 7.438 135 HE1 MET 659 HE1 MET 659 5.975 7.873 10.019 136 HE2 MET 659 HE2 MET 659 6.969 6.514 9.496 137 HE3 MET 659 HE3 MET 659 6.455 7.731 8.327 138 H GLY 660 HN GLY 660 12.038 5.826 5.406 139 HA2 GLY 660 HA2 GLY 660 13.870 7.806 6.477 140 HA3 GLY 660 HA1 GLY 660 14.524 6.179 6.366 141 H THR 661 HN THR 661 13.355 5.310 4.017 142 HA THR 661 HA THR 661 14.955 6.752 2.101 143 HB THR 661 HB THR 661 14.920 4.275 2.128 144 HG1 THR 661 HG1 THR 661 15.523 4.838 0.166 145 HG21 THR 661 HG21 THR 661 12.990 3.071 1.199 146 HG22 THR 661 HG22 THR 661 12.079 4.580 1.146 147 HG23 THR 661 HG23 THR 661 12.575 3.904 2.697 148 HA PRO 662 HA PRO 662 11.539 9.167 0.585 149 HB2 PRO 662 HB2 PRO 662 12.737 10.177 -1.619 150 HB3 PRO 662 HB1 PRO 662 13.126 10.734 0.012 151 HG2 PRO 662 HG2 PRO 662 14.610 8.824 -1.744 152 HG3 PRO 662 HG1 PRO 662 15.243 10.098 -0.688 153 HD2 PRO 662 HD2 PRO 662 15.201 7.447 -0.015 154 HD3 PRO 662 HD1 PRO 662 15.156 8.766 1.173 155 H MET 663 HN MET 663 9.900 7.921 -0.151 156 HA MET 663 HA MET 663 10.290 6.078 -2.339 157 HB2 MET 663 HB2 MET 663 7.794 6.804 -0.794 158 HB3 MET 663 HB1 MET 663 7.909 5.511 -1.978 159 HG2 MET 663 HG2 MET 663 9.585 4.394 -0.573 160 HG3 MET 663 HG1 MET 663 9.418 5.677 0.622 161 HE1 MET 663 HE1 MET 663 7.743 2.625 -1.135 162 HE2 MET 663 HE2 MET 663 6.605 3.907 -1.555 163 HE3 MET 663 HE3 MET 663 6.121 2.627 -0.443 164 H VAL 664 HN VAL 664 9.866 6.442 -4.413 165 HA VAL 664 HA VAL 664 9.006 9.058 -5.252 166 HB VAL 664 HB VAL 664 9.619 6.597 -6.904 167 HG11 VAL 664 HG11 VAL 664 9.341 9.480 -7.746 168 HG12 VAL 664 HG12 VAL 664 8.205 8.182 -8.108 169 HG13 VAL 664 HG13 VAL 664 9.833 8.143 -8.786 170 HG21 VAL 664 HG21 VAL 664 11.344 8.979 -6.238 171 HG22 VAL 664 HG22 VAL 664 11.777 7.670 -7.338 172 HG23 VAL 664 HG23 VAL 664 11.550 7.341 -5.620 173 H GLU 665 HN GLU 665 6.956 9.620 -5.431 174 HA GLU 665 HA GLU 665 4.966 7.524 -5.974 175 HB2 GLU 665 HB2 GLU 665 4.603 10.178 -4.568 176 HB3 GLU 665 HB1 GLU 665 3.329 9.003 -4.871 177 HG2 GLU 665 HG2 GLU 665 4.478 7.376 -3.475 178 HG3 GLU 665 HG1 GLU 665 5.780 8.529 -3.192 179 H ASN 666 HN ASN 666 5.660 7.851 -8.222 180 HA ASN 666 HA ASN 666 4.225 10.109 -9.468 181 HB2 ASN 666 HB2 ASN 666 6.666 10.219 -9.842 182 HB3 ASN 666 HB1 ASN 666 6.636 8.594 -10.513 183 HD21 ASN 666 HD21 ASN 666 4.164 11.010 -11.127 184 HD22 ASN 666 HD22 ASN 666 4.544 11.233 -12.797 185 H ASP 667 HN ASP 667 2.370 8.651 -9.188 186 HA ASP 667 HA ASP 667 0.883 7.047 -9.781 187 HB2 ASP 667 HB2 ASP 667 2.372 7.411 -12.366 188 HB3 ASP 667 HB1 ASP 667 1.107 6.197 -12.224 189 H SER 668 HN SER 668 3.349 6.359 -8.495 190 HA SER 668 HA SER 668 3.674 3.572 -9.364 191 HB2 SER 668 HB2 SER 668 5.981 3.860 -8.225 192 HB3 SER 668 HB1 SER 668 5.745 4.596 -9.809 193 HG SER 668 HG SER 668 6.282 5.774 -7.415 194 H GLY 669 HN GLY 669 2.015 5.171 -7.261 195 HA2 GLY 669 HA2 GLY 669 2.988 4.117 -4.750 196 HA3 GLY 669 HA1 GLY 669 1.538 5.080 -4.990 197 H TYR 670 HN TYR 670 -0.411 4.051 -5.545 198 HA TYR 670 HA TYR 670 -0.353 1.136 -5.215 199 HB2 TYR 670 HB2 TYR 670 -2.446 3.082 -4.230 200 HB3 TYR 670 HB1 TYR 670 -2.531 1.330 -4.085 201 HD1 TYR 670 HD1 TYR 670 -0.500 0.200 -2.874 202 HD2 TYR 670 HD2 TYR 670 -1.536 4.308 -2.478 203 HE1 TYR 670 HE1 TYR 670 0.760 0.309 -0.768 204 HE2 TYR 670 HE2 TYR 670 -0.285 4.424 -0.365 205 HH TYR 670 HH TYR 670 0.564 3.026 1.356 206 H LYS 671 HN LYS 671 -1.225 -0.002 -6.778 207 HA LYS 671 HA LYS 671 -2.740 1.418 -8.874 208 HB2 LYS 671 HB2 LYS 671 -0.777 -0.860 -9.218 209 HB3 LYS 671 HB1 LYS 671 -1.628 -0.020 -10.504 210 HG2 LYS 671 HG2 LYS 671 -0.381 1.956 -10.177 211 HG3 LYS 671 HG1 LYS 671 0.266 1.374 -8.639 212 HD2 LYS 671 HD2 LYS 671 1.462 -0.411 -9.841 213 HD3 LYS 671 HD1 LYS 671 0.847 0.225 -11.369 214 HE2 LYS 671 HE2 LYS 671 2.042 2.277 -11.067 215 HE3 LYS 671 HE1 LYS 671 2.513 1.817 -9.432 216 HZ1 LYS 671 HZ1 LYS 671 3.346 0.378 -11.890 217 HZ2 LYS 671 HZ2 LYS 671 3.876 0.070 -10.310 218 HZ3 LYS 671 HZ3 LYS 671 4.293 1.516 -11.076 219 H LEU 672 HN LEU 672 -4.126 -0.024 -10.188 220 HA LEU 672 HA LEU 672 -5.575 -1.858 -8.507 221 HB2 LEU 672 HB2 LEU 672 -5.963 -1.221 -11.433 222 HB3 LEU 672 HB1 LEU 672 -7.075 -2.119 -10.422 223 HG LEU 672 HG LEU 672 -6.431 0.817 -10.304 224 HD11 LEU 672 HD11 LEU 672 -9.019 -0.690 -10.638 225 HD12 LEU 672 HD12 LEU 672 -8.099 0.064 -11.939 226 HD13 LEU 672 HD13 LEU 672 -8.812 1.061 -10.673 227 HD21 LEU 672 HD21 LEU 672 -6.464 0.003 -8.018 228 HD22 LEU 672 HD22 LEU 672 -7.990 -0.828 -8.314 229 HD23 LEU 672 HD23 LEU 672 -7.923 0.933 -8.354 230 H GLY 673 HN GLY 673 -5.629 -4.036 -8.623 231 HA2 GLY 673 HA2 GLY 673 -5.113 -6.168 -9.430 232 HA3 GLY 673 HA1 GLY 673 -4.192 -5.430 -10.735 233 H GLN 674 HN GLN 674 -3.216 -3.840 -8.102 234 HA GLN 674 HA GLN 674 -0.732 -5.293 -7.955 235 HB2 GLN 674 HB2 GLN 674 -0.883 -2.790 -7.923 236 HB3 GLN 674 HB1 GLN 674 -1.651 -2.910 -6.350 237 HG2 GLN 674 HG2 GLN 674 0.677 -2.347 -6.106 238 HG3 GLN 674 HG1 GLN 674 0.356 -3.943 -5.434 239 HE21 GLN 674 HE21 GLN 674 0.599 -3.332 -8.867 240 HE22 GLN 674 HE22 GLN 674 2.088 -4.176 -9.105 241 H ARG 675 HN ARG 675 0.051 -6.404 -6.210 242 HA ARG 675 HA ARG 675 -1.955 -7.157 -4.213 243 HB2 ARG 675 HB2 ARG 675 0.586 -8.579 -5.035 244 HB3 ARG 675 HB1 ARG 675 -0.535 -9.142 -3.802 245 HG2 ARG 675 HG2 ARG 675 -2.306 -9.276 -5.500 246 HG3 ARG 675 HG1 ARG 675 -1.141 -8.776 -6.727 247 HD2 ARG 675 HD2 ARG 675 0.198 -10.766 -6.274 248 HD3 ARG 675 HD1 ARG 675 -0.949 -11.259 -5.026 249 HE ARG 675 HE ARG 675 -2.182 -10.845 -7.578 250 HH11 ARG 675 HH11 ARG 675 -0.420 -13.159 -5.632 251 HH12 ARG 675 HH12 ARG 675 -1.054 -14.538 -6.470 252 HH21 ARG 675 HH21 ARG 675 -3.022 -12.657 -8.681 253 HH22 ARG 675 HH22 ARG 675 -2.534 -14.252 -8.203 254 H VAL 676 HN VAL 676 -1.646 -6.817 -2.114 255 HA VAL 676 HA VAL 676 0.804 -5.359 -1.348 256 HB VAL 676 HB VAL 676 -0.576 -4.063 0.212 257 HG11 VAL 676 HG11 VAL 676 -1.532 -3.917 -2.644 258 HG12 VAL 676 HG12 VAL 676 -0.082 -3.150 -1.996 259 HG13 VAL 676 HG13 VAL 676 -1.673 -2.637 -1.439 260 HG21 VAL 676 HG21 VAL 676 -2.363 -5.714 0.524 261 HG22 VAL 676 HG22 VAL 676 -2.920 -5.411 -1.126 262 HG23 VAL 676 HG23 VAL 676 -3.006 -4.128 0.084 263 H ARG 677 HN ARG 677 1.541 -5.639 0.752 264 HA ARG 677 HA ARG 677 0.315 -7.836 2.282 265 HB2 ARG 677 HB2 ARG 677 2.624 -8.226 1.150 266 HB3 ARG 677 HB1 ARG 677 3.244 -7.157 2.397 267 HG2 ARG 677 HG2 ARG 677 2.176 -8.713 4.076 268 HG3 ARG 677 HG1 ARG 677 1.918 -9.823 2.725 269 HD2 ARG 677 HD2 ARG 677 3.971 -10.333 3.981 270 HD3 ARG 677 HD1 ARG 677 4.287 -9.923 2.297 271 HE ARG 677 HE ARG 677 5.194 -7.849 2.994 272 HH11 ARG 677 HH11 ARG 677 4.268 -9.890 5.691 273 HH12 ARG 677 HH12 ARG 677 5.331 -9.101 6.809 274 HH21 ARG 677 HH21 ARG 677 6.586 -6.820 4.449 275 HH22 ARG 677 HH22 ARG 677 6.663 -7.356 6.103 276 H HIS 678 HN HIS 678 -0.395 -7.199 4.220 277 HA HIS 678 HA HIS 678 0.882 -4.859 5.480 278 HB2 HIS 678 HB2 HIS 678 -1.363 -4.365 4.415 279 HB3 HIS 678 HB1 HIS 678 -2.073 -5.472 5.581 280 HD1 HIS 678 HD1 HIS 678 -0.231 -2.160 5.458 281 HD2 HIS 678 HD2 HIS 678 -2.612 -4.396 8.031 282 HE1 HIS 678 HE1 HIS 678 -0.759 -0.642 7.383 283 HE2 HIS 678 HE2 HIS 678 -2.335 -1.956 8.838 284 H ALA 679 HN ALA 679 1.586 -5.261 7.458 285 HA ALA 679 HA ALA 679 1.971 -7.699 8.524 286 HB1 ALA 679 HB1 ALA 679 3.024 -5.613 9.295 287 HB2 ALA 679 HB2 ALA 679 2.479 -6.632 10.628 288 HB3 ALA 679 HB3 ALA 679 1.541 -5.207 10.167 289 H LYS 680 HN LYS 680 -0.822 -5.676 9.226 290 HA LYS 680 HA LYS 680 -1.677 -7.474 11.342 291 HB2 LYS 680 HB2 LYS 680 -2.732 -4.794 10.458 292 HB3 LYS 680 HB1 LYS 680 -3.217 -5.657 11.917 293 HG2 LYS 680 HG2 LYS 680 -1.287 -5.172 13.022 294 HG3 LYS 680 HG1 LYS 680 -0.323 -5.136 11.547 295 HD2 LYS 680 HD2 LYS 680 -0.441 -2.915 12.428 296 HD3 LYS 680 HD1 LYS 680 -1.412 -2.986 10.957 297 HE2 LYS 680 HE2 LYS 680 -3.418 -3.366 12.443 298 HE3 LYS 680 HE1 LYS 680 -2.376 -2.983 13.811 299 HZ1 LYS 680 HZ1 LYS 680 -1.960 -0.809 12.817 300 HZ2 LYS 680 HZ2 LYS 680 -3.608 -1.048 13.101 301 HZ3 LYS 680 HZ3 LYS 680 -2.994 -1.183 11.534 302 H PHE 681 HN PHE 681 -2.610 -6.585 8.105 303 HA PHE 681 HA PHE 681 -5.184 -7.976 8.451 304 HB2 PHE 681 HB2 PHE 681 -4.281 -6.013 6.341 305 HB3 PHE 681 HB1 PHE 681 -5.792 -6.904 6.252 306 HD1 PHE 681 HD1 PHE 681 -5.423 -3.899 6.227 307 HD2 PHE 681 HD2 PHE 681 -6.211 -6.648 9.380 308 HE1 PHE 681 HE1 PHE 681 -6.547 -2.120 7.499 309 HE2 PHE 681 HE2 PHE 681 -7.332 -4.870 10.649 310 HZ PHE 681 HZ PHE 681 -7.505 -2.607 9.710 311 H GLY 682 HN GLY 682 -2.107 -8.426 7.168 312 HA2 GLY 682 HA2 GLY 682 -1.355 -10.350 6.039 313 HA3 GLY 682 HA1 GLY 682 -3.023 -10.724 5.614 314 H GLU 683 HN GLU 683 -2.359 -11.064 3.416 315 HA GLU 683 HA GLU 683 -1.647 -8.588 2.014 316 HB2 GLU 683 HB2 GLU 683 -0.709 -9.996 0.235 317 HB3 GLU 683 HB1 GLU 683 0.072 -10.295 1.780 318 HG2 GLU 683 HG2 GLU 683 -1.251 -12.319 2.059 319 HG3 GLU 683 HG1 GLU 683 -2.047 -12.012 0.517 320 H GLY 684 HN GLY 684 -2.641 -8.149 -0.007 321 HA2 GLY 684 HA2 GLY 684 -4.899 -9.768 -0.840 322 HA3 GLY 684 HA1 GLY 684 -5.330 -8.202 -0.162 323 H THR 685 HN THR 685 -6.202 -8.283 -2.537 324 HA THR 685 HA THR 685 -4.135 -7.100 -4.279 325 HB THR 685 HB THR 685 -6.625 -8.582 -5.145 326 HG1 THR 685 HG1 THR 685 -4.499 -9.634 -4.190 327 HG21 THR 685 HG21 THR 685 -4.278 -7.545 -6.742 328 HG22 THR 685 HG22 THR 685 -5.905 -6.862 -6.739 329 HG23 THR 685 HG23 THR 685 -5.629 -8.483 -7.381 330 H ILE 686 HN ILE 686 -4.430 -5.034 -4.814 331 HA ILE 686 HA ILE 686 -6.725 -3.583 -3.923 332 HB ILE 686 HB ILE 686 -4.601 -2.640 -5.855 333 HG12 ILE 686 HG12 ILE 686 -4.643 -2.463 -2.831 334 HG13 ILE 686 HG11 ILE 686 -3.589 -3.512 -3.773 335 HG21 ILE 686 HG21 ILE 686 -6.446 -1.126 -4.006 336 HG22 ILE 686 HG22 ILE 686 -6.587 -1.228 -5.761 337 HG23 ILE 686 HG23 ILE 686 -5.203 -0.411 -5.034 338 HD11 ILE 686 HD11 ILE 686 -3.592 -0.503 -3.842 339 HD12 ILE 686 HD12 ILE 686 -2.524 -1.561 -4.765 340 HD13 ILE 686 HD13 ILE 686 -2.421 -1.520 -3.005 341 H VAL 687 HN VAL 687 -8.639 -3.756 -4.908 342 HA VAL 687 HA VAL 687 -8.703 -4.359 -7.773 343 HB VAL 687 HB VAL 687 -11.102 -4.875 -7.424 344 HG11 VAL 687 HG11 VAL 687 -9.186 -6.308 -5.588 345 HG12 VAL 687 HG12 VAL 687 -9.448 -6.646 -7.299 346 HG13 VAL 687 HG13 VAL 687 -10.740 -6.937 -6.134 347 HG21 VAL 687 HG21 VAL 687 -10.479 -4.358 -4.515 348 HG22 VAL 687 HG22 VAL 687 -11.972 -5.061 -5.136 349 HG23 VAL 687 HG23 VAL 687 -11.548 -3.397 -5.537 350 H ASN 688 HN ASN 688 -9.505 -1.834 -5.524 351 HA ASN 688 HA ASN 688 -10.134 -0.082 -7.756 352 HB2 ASN 688 HB2 ASN 688 -12.321 -1.099 -6.944 353 HB3 ASN 688 HB1 ASN 688 -12.038 -0.261 -5.425 354 HD21 ASN 688 HD21 ASN 688 -12.802 0.109 -8.792 355 HD22 ASN 688 HD22 ASN 688 -13.335 1.750 -8.691 356 H MET 689 HN MET 689 -10.122 2.164 -7.134 357 HA MET 689 HA MET 689 -9.210 2.844 -4.483 358 HB2 MET 689 HB2 MET 689 -7.159 3.932 -5.165 359 HB3 MET 689 HB1 MET 689 -7.108 2.245 -5.635 360 HG2 MET 689 HG2 MET 689 -6.253 3.231 -7.501 361 HG3 MET 689 HG1 MET 689 -7.960 3.164 -7.928 362 HE1 MET 689 HE1 MET 689 -5.779 6.966 -6.475 363 HE2 MET 689 HE2 MET 689 -5.005 5.396 -6.693 364 HE3 MET 689 HE3 MET 689 -6.169 5.633 -5.390 365 H GLU 690 HN GLU 690 -9.554 4.978 -3.964 366 HA GLU 690 HA GLU 690 -11.133 6.482 -5.961 367 HB2 GLU 690 HB2 GLU 690 -11.601 6.236 -2.983 368 HB3 GLU 690 HB1 GLU 690 -12.515 7.276 -4.065 369 HG2 GLU 690 HG2 GLU 690 -13.420 5.400 -5.221 370 HG3 GLU 690 HG1 GLU 690 -12.360 4.290 -4.353 371 H GLY 691 HN GLY 691 -10.777 8.655 -6.125 372 HA2 GLY 691 HA2 GLY 691 -9.877 10.731 -5.736 373 HA3 GLY 691 HA1 GLY 691 -9.590 10.222 -4.079 374 H SER 692 HN SER 692 -7.612 11.440 -4.213 375 HA SER 692 HA SER 692 -5.417 9.739 -5.016 376 HB2 SER 692 HB2 SER 692 -5.702 12.528 -6.163 377 HB3 SER 692 HB1 SER 692 -4.277 11.503 -6.322 378 HG SER 692 HG SER 692 -6.459 10.143 -7.090 379 H GLY 693 HN GLY 693 -3.720 9.946 -3.654 380 HA2 GLY 693 HA2 GLY 693 -2.230 10.989 -2.211 381 HA3 GLY 693 HA1 GLY 693 -3.216 12.441 -2.276 382 H GLU 694 HN GLU 694 -3.498 12.894 -0.184 383 HA GLU 694 HA GLU 694 -3.783 11.010 1.882 384 HB2 GLU 694 HB2 GLU 694 -3.000 13.293 2.249 385 HB3 GLU 694 HB1 GLU 694 -4.563 13.929 1.773 386 HG2 GLU 694 HG2 GLU 694 -4.645 12.016 3.990 387 HG3 GLU 694 HG1 GLU 694 -3.759 13.503 4.325 388 H HIS 695 HN HIS 695 -6.122 12.698 -0.117 389 HA HIS 695 HA HIS 695 -8.368 11.703 1.435 390 HB2 HIS 695 HB2 HIS 695 -8.325 14.003 0.431 391 HB3 HIS 695 HB1 HIS 695 -8.397 13.259 -1.160 392 HD1 HIS 695 HD1 HIS 695 -10.683 13.033 -2.091 393 HD2 HIS 695 HD2 HIS 695 -10.712 13.237 2.060 394 HE1 HIS 695 HE1 HIS 695 -13.107 13.055 -1.431 395 HE2 HIS 695 HE2 HIS 695 -13.092 13.387 1.064 396 H SER 696 HN SER 696 -6.432 10.027 -0.306 397 HA SER 696 HA SER 696 -8.335 8.820 -2.153 398 HB2 SER 696 HB2 SER 696 -5.966 9.262 -2.853 399 HB3 SER 696 HB1 SER 696 -5.441 8.072 -1.664 400 HG SER 696 HG SER 696 -7.365 7.393 -3.611 401 H ARG 697 HN ARG 697 -9.160 6.793 -1.931 402 HA ARG 697 HA ARG 697 -8.369 5.260 0.457 403 HB2 ARG 697 HB2 ARG 697 -11.131 5.470 -0.758 404 HB3 ARG 697 HB1 ARG 697 -10.679 4.373 0.537 405 HG2 ARG 697 HG2 ARG 697 -10.181 6.269 1.982 406 HG3 ARG 697 HG1 ARG 697 -10.619 7.378 0.680 407 HD2 ARG 697 HD2 ARG 697 -12.886 6.476 0.665 408 HD3 ARG 697 HD1 ARG 697 -12.456 5.348 1.947 409 HE ARG 697 HE ARG 697 -11.868 7.869 2.911 410 HH11 ARG 697 HH11 ARG 697 -14.713 6.178 1.765 411 HH12 ARG 697 HH12 ARG 697 -15.805 7.063 2.783 412 HH21 ARG 697 HH21 ARG 697 -13.309 9.038 4.258 413 HH22 ARG 697 HH22 ARG 697 -15.010 8.695 4.192 414 H LEU 698 HN LEU 698 -7.839 3.179 0.107 415 HA LEU 698 HA LEU 698 -8.117 2.179 -2.650 416 HB2 LEU 698 HB2 LEU 698 -6.311 1.009 -0.559 417 HB3 LEU 698 HB1 LEU 698 -6.195 0.881 -2.302 418 HG LEU 698 HG LEU 698 -5.756 3.489 -0.861 419 HD11 LEU 698 HD11 LEU 698 -3.357 3.025 -1.018 420 HD12 LEU 698 HD12 LEU 698 -3.714 1.399 -1.600 421 HD13 LEU 698 HD13 LEU 698 -4.180 1.872 0.034 422 HD21 LEU 698 HD21 LEU 698 -6.199 3.667 -3.243 423 HD22 LEU 698 HD22 LEU 698 -4.948 2.471 -3.585 424 HD23 LEU 698 HD23 LEU 698 -4.507 4.039 -2.908 425 H GLN 699 HN GLN 699 -9.342 0.383 -3.000 426 HA GLN 699 HA GLN 699 -10.317 -1.033 -0.625 427 HB2 GLN 699 HB2 GLN 699 -11.482 -0.524 -3.292 428 HB3 GLN 699 HB1 GLN 699 -11.790 -2.116 -2.607 429 HG2 GLN 699 HG2 GLN 699 -12.597 -0.982 -0.537 430 HG3 GLN 699 HG1 GLN 699 -12.467 0.553 -1.397 431 HE21 GLN 699 HE21 GLN 699 -13.909 1.008 -3.052 432 HE22 GLN 699 HE22 GLN 699 -15.374 0.121 -3.263 433 H VAL 700 HN VAL 700 -9.074 -2.612 -0.078 434 HA VAL 700 HA VAL 700 -7.638 -4.117 -2.136 435 HB VAL 700 HB VAL 700 -7.229 -4.171 0.856 436 HG11 VAL 700 HG11 VAL 700 -5.074 -5.203 0.282 437 HG12 VAL 700 HG12 VAL 700 -5.541 -5.199 -1.420 438 HG13 VAL 700 HG13 VAL 700 -6.443 -6.174 -0.260 439 HG21 VAL 700 HG21 VAL 700 -6.767 -1.942 -0.029 440 HG22 VAL 700 HG22 VAL 700 -5.697 -2.640 -1.243 441 HG23 VAL 700 HG23 VAL 700 -5.279 -2.748 0.466 442 H ALA 701 HN ALA 701 -8.340 -6.031 -2.720 443 HA ALA 701 HA ALA 701 -10.381 -7.404 -1.206 444 HB1 ALA 701 HB1 ALA 701 -10.408 -8.976 -3.059 445 HB2 ALA 701 HB2 ALA 701 -8.960 -8.233 -3.735 446 HB3 ALA 701 HB3 ALA 701 -10.467 -7.322 -3.663 447 H PHE 702 HN PHE 702 -9.467 -8.089 0.664 448 HA PHE 702 HA PHE 702 -6.974 -9.501 0.742 449 HB2 PHE 702 HB2 PHE 702 -9.145 -8.978 2.770 450 HB3 PHE 702 HB1 PHE 702 -7.745 -9.972 3.144 451 HD1 PHE 702 HD1 PHE 702 -9.019 -6.630 2.778 452 HD2 PHE 702 HD2 PHE 702 -5.464 -8.951 3.030 453 HE1 PHE 702 HE1 PHE 702 -7.737 -4.601 3.317 454 HE2 PHE 702 HE2 PHE 702 -4.175 -6.927 3.569 455 HZ PHE 702 HZ PHE 702 -5.311 -4.747 3.714 456 H GLN 703 HN GLN 703 -6.636 -11.593 0.506 457 HA GLN 703 HA GLN 703 -8.623 -13.201 -0.681 458 HB2 GLN 703 HB2 GLN 703 -6.876 -15.001 -0.531 459 HB3 GLN 703 HB1 GLN 703 -6.352 -13.522 -1.323 460 HG2 GLN 703 HG2 GLN 703 -5.125 -12.837 0.597 461 HG3 GLN 703 HG1 GLN 703 -5.811 -14.139 1.566 462 HE21 GLN 703 HE21 GLN 703 -3.529 -13.317 -0.929 463 HE22 GLN 703 HE22 GLN 703 -2.651 -14.806 -0.881 464 H GLY 704 HN GLY 704 -7.791 -12.713 2.611 465 HA2 GLY 704 HA2 GLY 704 -9.608 -14.922 3.322 466 HA3 GLY 704 HA1 GLY 704 -8.081 -14.723 4.167 467 H GLN 705 HN GLN 705 -10.345 -12.218 3.101 468 HA GLN 705 HA GLN 705 -11.443 -11.769 5.687 469 HB2 GLN 705 HB2 GLN 705 -9.134 -10.919 6.051 470 HB3 GLN 705 HB1 GLN 705 -9.381 -9.757 4.759 471 HG2 GLN 705 HG2 GLN 705 -9.648 -8.705 6.915 472 HG3 GLN 705 HG1 GLN 705 -11.179 -8.713 6.042 473 HE21 GLN 705 HE21 GLN 705 -9.402 -10.011 8.724 474 HE22 GLN 705 HE22 GLN 705 -10.758 -10.695 9.553 475 H GLY 706 HN GLY 706 -10.938 -10.845 2.380 476 HA2 GLY 706 HA2 GLY 706 -12.813 -10.246 1.024 477 HA3 GLY 706 HA1 GLY 706 -13.564 -9.521 2.438 478 H ILE 707 HN ILE 707 -13.848 -7.747 0.777 479 HA ILE 707 HA ILE 707 -11.433 -6.235 0.197 480 HB ILE 707 HB ILE 707 -14.288 -5.539 -0.504 481 HG12 ILE 707 HG12 ILE 707 -12.209 -6.969 -2.179 482 HG13 ILE 707 HG11 ILE 707 -13.624 -7.724 -1.455 483 HG21 ILE 707 HG21 ILE 707 -12.749 -3.655 -0.573 484 HG22 ILE 707 HG22 ILE 707 -13.255 -4.108 -2.200 485 HG23 ILE 707 HG23 ILE 707 -11.657 -4.570 -1.612 486 HD11 ILE 707 HD11 ILE 707 -13.672 -5.550 -3.533 487 HD12 ILE 707 HD12 ILE 707 -15.078 -6.349 -2.828 488 HD13 ILE 707 HD13 ILE 707 -13.948 -7.267 -3.823 489 H LYS 708 HN LYS 708 -10.677 -4.817 1.618 490 HA LYS 708 HA LYS 708 -12.576 -3.420 3.390 491 HB2 LYS 708 HB2 LYS 708 -9.743 -4.274 3.763 492 HB3 LYS 708 HB1 LYS 708 -10.255 -2.779 4.528 493 HG2 LYS 708 HG2 LYS 708 -10.683 -4.193 6.231 494 HG3 LYS 708 HG1 LYS 708 -12.221 -4.341 5.387 495 HD2 LYS 708 HD2 LYS 708 -10.001 -6.190 4.663 496 HD3 LYS 708 HD1 LYS 708 -10.877 -6.465 6.166 497 HE2 LYS 708 HE2 LYS 708 -12.109 -6.250 3.425 498 HE3 LYS 708 HE1 LYS 708 -11.804 -7.752 4.296 499 HZ1 LYS 708 HZ1 LYS 708 -13.647 -5.575 5.141 500 HZ2 LYS 708 HZ2 LYS 708 -13.316 -6.965 6.044 501 HZ3 LYS 708 HZ3 LYS 708 -14.094 -7.095 4.548 502 H TRP 709 HN TRP 709 -11.950 -1.180 3.938 503 HA TRP 709 HA TRP 709 -10.922 0.217 1.574 504 HB2 TRP 709 HB2 TRP 709 -12.145 2.176 2.383 505 HB3 TRP 709 HB1 TRP 709 -13.227 0.797 2.240 506 HD1 TRP 709 HD1 TRP 709 -13.472 -0.587 4.787 507 HE1 TRP 709 HE1 TRP 709 -13.940 0.512 7.061 508 HE3 TRP 709 HE3 TRP 709 -12.010 4.182 3.685 509 HZ2 TRP 709 HZ2 TRP 709 -13.736 3.080 8.230 510 HZ3 TRP 709 HZ3 TRP 709 -12.185 5.904 5.435 511 HH2 TRP 709 HH2 TRP 709 -13.031 5.363 7.658 512 H LEU 710 HN LEU 710 -8.945 0.999 1.701 513 HA LEU 710 HA LEU 710 -7.849 1.631 4.363 514 HB2 LEU 710 HB2 LEU 710 -6.483 0.574 1.890 515 HB3 LEU 710 HB1 LEU 710 -5.596 1.275 3.226 516 HG LEU 710 HG LEU 710 -5.469 -1.081 3.466 517 HD11 LEU 710 HD11 LEU 710 -5.844 0.159 5.537 518 HD12 LEU 710 HD12 LEU 710 -6.512 -1.471 5.613 519 HD13 LEU 710 HD13 LEU 710 -7.583 -0.091 5.369 520 HD21 LEU 710 HD21 LEU 710 -8.471 -1.159 3.212 521 HD22 LEU 710 HD22 LEU 710 -7.433 -2.535 3.587 522 HD23 LEU 710 HD23 LEU 710 -7.304 -1.734 2.022 523 H VAL 711 HN VAL 711 -7.941 3.767 4.624 524 HA VAL 711 HA VAL 711 -7.821 5.712 2.598 525 HB VAL 711 HB VAL 711 -6.998 5.997 5.499 526 HG11 VAL 711 HG11 VAL 711 -7.491 8.379 5.187 527 HG12 VAL 711 HG12 VAL 711 -7.804 8.085 3.477 528 HG13 VAL 711 HG13 VAL 711 -6.186 7.838 4.133 529 HG21 VAL 711 HG21 VAL 711 -9.272 6.822 5.873 530 HG22 VAL 711 HG22 VAL 711 -9.275 5.157 5.290 531 HG23 VAL 711 HG23 VAL 711 -9.673 6.477 4.191 532 H ALA 712 HN ALA 712 -6.168 6.295 1.358 533 HA ALA 712 HA ALA 712 -3.753 4.932 1.339 534 HB1 ALA 712 HB1 ALA 712 -4.744 6.066 -0.600 535 HB2 ALA 712 HB2 ALA 712 -3.041 6.469 -0.375 536 HB3 ALA 712 HB3 ALA 712 -4.290 7.621 0.099 537 H ALA 713 HN ALA 713 -4.564 7.813 3.104 538 HA ALA 713 HA ALA 713 -1.905 8.725 3.538 539 HB1 ALA 713 HB1 ALA 713 -2.864 10.180 5.214 540 HB2 ALA 713 HB2 ALA 713 -4.360 9.247 5.206 541 HB3 ALA 713 HB3 ALA 713 -3.887 10.164 3.777 542 H TYR 714 HN TYR 714 -3.853 6.261 4.996 543 HA TYR 714 HA TYR 714 -1.763 5.829 7.030 544 HB2 TYR 714 HB2 TYR 714 -4.740 5.473 7.449 545 HB3 TYR 714 HB1 TYR 714 -3.483 5.147 8.636 546 HD1 TYR 714 HD1 TYR 714 -5.643 7.634 7.195 547 HD2 TYR 714 HD2 TYR 714 -2.120 7.083 9.514 548 HE1 TYR 714 HE1 TYR 714 -5.820 9.949 8.004 549 HE2 TYR 714 HE2 TYR 714 -2.289 9.396 10.331 550 HH TYR 714 HH TYR 714 -3.301 11.541 9.578 551 H ALA 715 HN ALA 715 -2.599 4.670 4.320 552 HA ALA 715 HA ALA 715 -3.660 2.081 4.799 553 HB1 ALA 715 HB1 ALA 715 -3.917 3.251 2.663 554 HB2 ALA 715 HB2 ALA 715 -3.180 1.663 2.454 555 HB3 ALA 715 HB3 ALA 715 -2.181 3.115 2.383 556 H ARG 716 HN ARG 716 -0.418 3.073 3.701 557 HA ARG 716 HA ARG 716 1.650 2.188 4.016 558 HB2 ARG 716 HB2 ARG 716 0.452 1.033 6.539 559 HB3 ARG 716 HB1 ARG 716 2.156 1.329 6.224 560 HG2 ARG 716 HG2 ARG 716 1.870 3.670 6.312 561 HG3 ARG 716 HG1 ARG 716 0.113 3.531 6.243 562 HD2 ARG 716 HD2 ARG 716 0.190 2.354 8.434 563 HD3 ARG 716 HD1 ARG 716 1.917 2.697 8.504 564 HE ARG 716 HE ARG 716 0.954 5.147 8.185 565 HH11 ARG 716 HH11 ARG 716 -0.182 2.565 10.251 566 HH12 ARG 716 HH12 ARG 716 -0.761 3.630 11.491 567 HH21 ARG 716 HH21 ARG 716 0.172 6.562 9.808 568 HH22 ARG 716 HH22 ARG 716 -0.563 5.906 11.236 569 H LEU 717 HN LEU 717 0.691 0.789 2.145 570 HA LEU 717 HA LEU 717 0.643 -2.041 2.918 571 HB2 LEU 717 HB2 LEU 717 -0.359 -0.557 0.518 572 HB3 LEU 717 HB1 LEU 717 -0.027 -2.268 0.410 573 HG LEU 717 HG LEU 717 -2.341 -2.084 0.783 574 HD11 LEU 717 HD11 LEU 717 -1.155 -2.599 3.497 575 HD12 LEU 717 HD12 LEU 717 -1.220 -3.773 2.181 576 HD13 LEU 717 HD13 LEU 717 -2.713 -3.163 2.895 577 HD21 LEU 717 HD21 LEU 717 -2.421 0.228 1.454 578 HD22 LEU 717 HD22 LEU 717 -1.739 -0.183 3.028 579 HD23 LEU 717 HD23 LEU 717 -3.338 -0.777 2.576 580 H GLU 718 HN GLU 718 2.301 -3.328 2.469 581 HA GLU 718 HA GLU 718 4.496 -2.301 0.840 582 HB2 GLU 718 HB2 GLU 718 5.043 -3.308 3.017 583 HB3 GLU 718 HB1 GLU 718 4.274 -4.808 2.522 584 HG2 GLU 718 HG2 GLU 718 5.950 -4.936 0.660 585 HG3 GLU 718 HG1 GLU 718 6.785 -3.582 1.421 586 H SER 719 HN SER 719 4.452 -2.741 -1.261 587 HA SER 719 HA SER 719 2.609 -4.496 -2.441 588 HB2 SER 719 HB2 SER 719 4.291 -4.152 -4.462 589 HB3 SER 719 HB1 SER 719 3.260 -2.837 -3.898 590 HG SER 719 HG SER 719 4.949 -1.823 -3.086 591 H VAL 720 HN VAL 720 2.710 -6.573 -3.081 592 HA VAL 720 HA VAL 720 4.868 -8.181 -2.016 593 HB VAL 720 HB VAL 720 2.572 -9.247 -3.651 594 HG11 VAL 720 HG11 VAL 720 4.427 -10.762 -3.023 595 HG12 VAL 720 HG12 VAL 720 2.876 -11.241 -2.337 596 HG13 VAL 720 HG13 VAL 720 4.073 -10.437 -1.324 597 HG21 VAL 720 HG21 VAL 720 1.539 -7.820 -2.001 598 HG22 VAL 720 HG22 VAL 720 2.520 -8.537 -0.725 599 HG23 VAL 720 HG23 VAL 720 1.300 -9.510 -1.547
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