NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
3894 | 1ed7 | 4588 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 655 HA ALA 655 -7.600 -5.272 -1.794 2 1HB ALA 655 1HB ALA 655 -8.432 -7.198 -3.067 3 2HB ALA 655 2HB ALA 655 -7.569 -7.768 -1.638 4 3HB ALA 655 3HB ALA 655 -6.793 -7.828 -3.221 5 H TRP 656 H TRP 656 -5.827 -4.175 -0.776 6 HA TRP 656 HA TRP 656 -3.095 -4.803 -0.870 7 1HB TRP 656 2HB TRP 656 -3.843 -2.846 0.260 8 2HB TRP 656 1HB TRP 656 -4.936 -3.766 1.294 9 HD1 TRP 656 HD TRP 656 -1.128 -3.538 0.621 10 HE1 TRP 656 1HE TRP 656 0.102 -3.907 2.856 11 HE3 TRP 656 3HE TRP 656 -5.116 -4.426 3.685 12 HZ2 TRP 656 2HZ TRP 656 -0.524 -4.501 5.586 13 HZ3 TRP 656 3HZ TRP 656 -4.772 -4.890 6.095 14 HH2 TRP 656 HH TRP 656 -2.484 -4.928 7.048 15 H GLN 657 H GLN 657 -1.772 -6.283 0.284 16 HA GLN 657 HA GLN 657 -3.247 -8.457 1.738 17 1HB GLN 657 2HB GLN 657 -0.894 -8.441 -0.161 18 2HB GLN 657 1HB GLN 657 -1.242 -9.828 0.872 19 1HG GLN 657 2HG GLN 657 -3.395 -8.624 -0.857 20 2HG GLN 657 1HG GLN 657 -2.261 -9.802 -1.519 21 1HE2 GLN 657 1HE2 GLN 657 -1.996 -11.821 0.104 22 2HE2 GLN 657 2HE2 GLN 657 -3.459 -12.442 0.700 23 H VAL 658 H VAL 658 -2.702 -8.539 3.879 24 HA VAL 658 HA VAL 658 -0.494 -7.006 4.979 25 HB VAL 658 HB VAL 658 -2.010 -9.234 6.340 26 1HG1 VAL 658 1HG1 VAL 658 -1.177 -6.501 7.338 27 2HG1 VAL 658 2HG1 VAL 658 -0.162 -7.936 7.494 28 3HG1 VAL 658 3HG1 VAL 658 -1.731 -7.872 8.300 29 1HG2 VAL 658 1HG2 VAL 658 -3.117 -6.905 5.014 30 2HG2 VAL 658 2HG2 VAL 658 -3.399 -6.818 6.753 31 3HG2 VAL 658 3HG2 VAL 658 -3.962 -8.216 5.837 32 H ASN 659 H ASN 659 1.499 -7.810 5.768 33 HA ASN 659 HA ASN 659 3.338 -9.291 5.913 34 1HB ASN 659 2HB ASN 659 0.856 -10.833 6.334 35 2HB ASN 659 1HB ASN 659 2.238 -11.813 5.841 36 1HD2 ASN 659 1HD2 ASN 659 0.997 -9.703 8.402 37 2HD2 ASN 659 2HD2 ASN 659 2.207 -10.071 9.534 38 H THR 660 H THR 660 2.997 -8.314 3.380 39 HA THR 660 HA THR 660 3.547 -10.712 1.670 40 HB THR 660 HB THR 660 1.964 -8.279 0.806 41 HG1 THR 660 1HG THR 660 0.610 -9.121 2.224 42 1HG2 THR 660 1HG2 THR 660 1.120 -10.094 -0.844 43 2HG2 THR 660 2HG2 THR 660 2.532 -11.014 -0.325 44 3HG2 THR 660 3HG2 THR 660 2.739 -9.440 -1.092 45 H ALA 661 H ALA 661 4.580 -9.900 -0.486 46 HA ALA 661 HA ALA 661 6.557 -7.749 0.182 47 1HB ALA 661 1HB ALA 661 7.180 -10.231 -0.260 48 2HB ALA 661 2HB ALA 661 8.100 -8.995 -1.117 49 3HB ALA 661 3HB ALA 661 6.818 -9.874 -1.949 50 H TYR 662 H TYR 662 5.953 -5.855 -0.815 51 HA TYR 662 HA TYR 662 4.661 -6.016 -3.511 52 1HB TYR 662 2HB TYR 662 4.595 -4.130 -1.174 53 2HB TYR 662 1HB TYR 662 4.193 -3.519 -2.779 54 HD1 TYR 662 1HD TYR 662 2.880 -5.835 -4.029 55 HD2 TYR 662 2HD TYR 662 2.541 -4.293 -0.033 56 HE1 TYR 662 1HE TYR 662 0.614 -6.822 -3.839 57 HE2 TYR 662 2HE TYR 662 0.275 -5.280 0.156 58 HH TYR 662 HH TYR 662 -1.603 -5.956 -1.838 59 H THR 663 H THR 663 5.446 -4.600 -5.182 60 HA THR 663 HA THR 663 8.267 -3.673 -4.761 61 HB THR 663 HB THR 663 8.491 -4.092 -7.179 62 HG1 THR 663 1HG THR 663 6.640 -3.833 -8.159 63 1HG2 THR 663 1HG2 THR 663 7.061 -6.515 -6.135 64 2HG2 THR 663 2HG2 THR 663 8.528 -5.965 -5.325 65 3HG2 THR 663 3HG2 THR 663 8.577 -6.414 -7.029 66 H ALA 664 H ALA 664 8.815 -1.574 -5.546 67 HA ALA 664 HA ALA 664 7.080 0.557 -5.279 68 1HB ALA 664 1HB ALA 664 9.645 -0.009 -6.477 69 2HB ALA 664 2HB ALA 664 9.082 1.490 -5.738 70 3HB ALA 664 3HB ALA 664 8.784 1.184 -7.450 71 H GLY 665 H GLY 665 5.654 1.703 -6.681 72 1HA GLY 665 2HA GLY 665 4.314 2.077 -8.591 73 2HA GLY 665 1HA GLY 665 5.292 0.892 -9.457 74 H GLN 666 H GLN 666 3.985 -0.077 -6.407 75 HA GLN 666 HA GLN 666 2.303 -2.093 -7.763 76 1HB GLN 666 2HB GLN 666 3.782 -1.781 -5.327 77 2HB GLN 666 1HB GLN 666 2.105 -2.136 -4.911 78 1HG GLN 666 2HG GLN 666 3.860 -3.746 -6.790 79 2HG GLN 666 1HG GLN 666 3.351 -4.228 -5.172 80 1HE2 GLN 666 1HE2 GLN 666 2.556 -4.562 -8.432 81 2HE2 GLN 666 2HE2 GLN 666 0.930 -5.016 -8.255 82 H LEU 667 H LEU 667 0.062 -2.464 -6.671 83 HA LEU 667 HA LEU 667 -1.231 0.135 -5.936 84 1HB LEU 667 2HB LEU 667 -1.324 -0.888 -8.439 85 2HB LEU 667 1HB LEU 667 -2.691 -1.745 -7.724 86 HG LEU 667 HG LEU 667 -2.363 1.237 -7.403 87 1HD1 LEU 667 1HD1 LEU 667 -4.253 0.170 -9.437 88 2HD1 LEU 667 2HD1 LEU 667 -2.543 0.160 -9.871 89 3HD1 LEU 667 3HD1 LEU 667 -3.334 1.675 -9.434 90 1HD2 LEU 667 1HD2 LEU 667 -4.183 -0.755 -6.466 91 2HD2 LEU 667 2HD2 LEU 667 -5.054 0.285 -7.594 92 3HD2 LEU 667 3HD2 LEU 667 -4.243 0.986 -6.193 93 H VAL 668 H VAL 668 -1.995 -0.297 -3.892 94 HA VAL 668 HA VAL 668 -3.317 -2.950 -3.415 95 HB VAL 668 HB VAL 668 -2.492 -2.819 -1.191 96 1HG1 VAL 668 1HG1 VAL 668 -0.743 -3.063 -3.073 97 2HG1 VAL 668 2HG1 VAL 668 -0.146 -2.650 -1.466 98 3HG1 VAL 668 3HG1 VAL 668 -0.297 -1.398 -2.699 99 1HG2 VAL 668 1HG2 VAL 668 -3.217 -0.481 -0.778 100 2HG2 VAL 668 2HG2 VAL 668 -1.852 0.102 -1.728 101 3HG2 VAL 668 3HG2 VAL 668 -1.569 -0.755 -0.213 102 H THR 669 H THR 669 -5.214 -2.837 -1.916 103 HA THR 669 HA THR 669 -6.475 -0.132 -1.751 104 HB THR 669 HB THR 669 -8.612 -1.417 -2.515 105 HG1 THR 669 1HG THR 669 -6.859 -3.012 -3.954 106 1HG2 THR 669 1HG2 THR 669 -7.805 0.244 -3.966 107 2HG2 THR 669 2HG2 THR 669 -7.781 -1.207 -4.967 108 3HG2 THR 669 3HG2 THR 669 -6.286 -0.609 -4.247 109 H TYR 670 H TYR 670 -7.206 0.171 0.307 110 HA TYR 670 HA TYR 670 -7.537 -2.202 2.080 111 1HB TYR 670 2HB TYR 670 -7.272 0.790 2.496 112 2HB TYR 670 1HB TYR 670 -7.576 -0.333 3.820 113 HD1 TYR 670 1HD TYR 670 -5.185 0.513 1.095 114 HD2 TYR 670 2HD TYR 670 -5.840 -1.678 4.730 115 HE1 TYR 670 1HE TYR 670 -2.764 -0.012 1.211 116 HE2 TYR 670 2HE TYR 670 -3.420 -2.206 4.847 117 HH TYR 670 HH TYR 670 -1.186 -0.835 3.734 118 H ASN 671 H ASN 671 -9.337 -0.881 3.918 119 HA ASN 671 HA ASN 671 -11.865 -1.697 3.077 120 1HB ASN 671 2HB ASN 671 -10.761 -0.534 5.282 121 2HB ASN 671 1HB ASN 671 -11.749 0.797 4.680 122 1HD2 ASN 671 1HD2 ASN 671 -12.038 -1.344 6.993 123 2HD2 ASN 671 2HD2 ASN 671 -13.648 -1.853 6.817 124 H GLY 672 H GLY 672 -12.195 -1.090 0.842 125 1HA GLY 672 2HA GLY 672 -12.880 0.320 -0.909 126 2HA GLY 672 1HA GLY 672 -13.710 1.225 0.358 127 H LYS 673 H LYS 673 -10.220 0.810 0.341 128 HA LYS 673 HA LYS 673 -9.968 3.748 -0.219 129 1HB LYS 673 2HB LYS 673 -8.544 1.813 1.605 130 2HB LYS 673 1HB LYS 673 -7.814 3.356 1.164 131 1HG LYS 673 2HG LYS 673 -10.609 3.148 2.297 132 2HG LYS 673 1HG LYS 673 -9.184 3.368 3.314 133 1HD LYS 673 2HD LYS 673 -8.613 5.382 1.857 134 2HD LYS 673 1HD LYS 673 -10.229 5.227 1.168 135 1HE LYS 673 2HE LYS 673 -11.237 6.055 3.046 136 2HE LYS 673 1HE LYS 673 -10.136 5.182 4.131 137 1HZ LYS 673 1HZ LYS 673 -9.602 7.489 4.270 138 2HZ LYS 673 2HZ LYS 673 -9.546 7.645 2.579 139 3HZ LYS 673 3HZ LYS 673 -8.362 6.736 3.391 140 H THR 674 H THR 674 -8.288 4.407 -1.622 141 HA THR 674 HA THR 674 -7.142 2.235 -3.324 142 HB THR 674 HB THR 674 -7.240 5.218 -3.837 143 HG1 THR 674 1HG THR 674 -9.331 4.704 -3.549 144 1HG2 THR 674 1HG2 THR 674 -7.470 4.175 -6.234 145 2HG2 THR 674 2HG2 THR 674 -6.796 2.737 -5.467 146 3HG2 THR 674 3HG2 THR 674 -5.884 4.247 -5.466 147 H TYR 675 H TYR 675 -4.930 1.917 -3.339 148 HA TYR 675 HA TYR 675 -3.162 4.043 -2.213 149 1HB TYR 675 2HB TYR 675 -3.687 1.267 -1.224 150 2HB TYR 675 1HB TYR 675 -2.058 1.924 -1.050 151 HD1 TYR 675 1HD TYR 675 -5.496 2.056 0.124 152 HD2 TYR 675 2HD TYR 675 -1.710 4.081 0.188 153 HE1 TYR 675 1HE TYR 675 -6.239 3.387 2.079 154 HE2 TYR 675 2HE TYR 675 -2.459 5.416 2.139 155 HH TYR 675 HH TYR 675 -4.313 4.943 4.087 156 H LYS 676 H LYS 676 -1.047 3.996 -3.077 157 HA LYS 676 HA LYS 676 -0.516 1.920 -5.177 158 1HB LYS 676 2HB LYS 676 -0.756 4.852 -5.282 159 2HB LYS 676 1HB LYS 676 0.706 4.236 -6.052 160 1HG LYS 676 2HG LYS 676 -0.767 4.061 -7.825 161 2HG LYS 676 1HG LYS 676 -1.003 2.477 -7.084 162 1HD LYS 676 2HD LYS 676 -3.180 2.966 -6.797 163 2HD LYS 676 1HD LYS 676 -2.717 4.284 -5.719 164 1HE LYS 676 2HE LYS 676 -2.666 4.638 -8.723 165 2HE LYS 676 1HE LYS 676 -4.140 4.929 -7.777 166 1HZ LYS 676 1HZ LYS 676 -2.988 6.473 -6.399 167 2HZ LYS 676 2HZ LYS 676 -2.676 6.917 -8.010 168 3HZ LYS 676 3HZ LYS 676 -1.494 6.097 -7.107 169 H CYS 677 H CYS 677 1.161 0.765 -4.231 170 HA CYS 677 HA CYS 677 3.072 1.782 -2.373 171 1HB CYS 677 2HB CYS 677 2.354 -0.638 -3.552 172 2HB CYS 677 1HB CYS 677 4.006 -0.381 -4.111 173 HG CYS 677 HG CYS 677 4.279 -1.490 -1.805 174 H LEU 678 H LEU 678 5.004 2.882 -2.694 175 HA LEU 678 HA LEU 678 5.847 3.338 -5.540 176 1HB LEU 678 2HB LEU 678 5.228 5.087 -3.281 177 2HB LEU 678 1HB LEU 678 6.818 5.428 -3.965 178 HG LEU 678 HG LEU 678 5.894 5.742 -6.164 179 1HD1 LEU 678 1HD1 LEU 678 3.428 4.561 -4.897 180 2HD1 LEU 678 2HD1 LEU 678 4.244 4.079 -6.385 181 3HD1 LEU 678 3HD1 LEU 678 3.300 5.569 -6.339 182 1HD2 LEU 678 1HD2 LEU 678 4.415 7.099 -3.914 183 2HD2 LEU 678 2HD2 LEU 678 4.026 7.477 -5.593 184 3HD2 LEU 678 3HD2 LEU 678 5.656 7.761 -4.979 185 H GLN 679 H GLN 679 6.727 1.867 -2.653 186 HA GLN 679 HA GLN 679 9.607 1.937 -3.453 187 1HB GLN 679 2HB GLN 679 8.425 3.173 -1.227 188 2HB GLN 679 1HB GLN 679 9.190 1.721 -0.582 189 1HG GLN 679 2HG GLN 679 11.095 2.953 -0.584 190 2HG GLN 679 1HG GLN 679 11.107 2.656 -2.323 191 1HE2 GLN 679 1HE2 GLN 679 12.291 4.903 -2.158 192 2HE2 GLN 679 2HE2 GLN 679 11.300 6.278 -2.253 193 HA PRO 680 HA PRO 680 8.959 -2.485 -3.292 194 1HB PRO 680 2HB PRO 680 11.800 -2.876 -3.076 195 2HB PRO 680 1HB PRO 680 10.780 -3.072 -4.505 196 1HG PRO 680 2HG PRO 680 12.692 -1.001 -3.984 197 2HG PRO 680 1HG PRO 680 11.655 -1.187 -5.402 198 1HD PRO 680 2HD PRO 680 11.433 0.770 -3.290 199 2HD PRO 680 1HD PRO 680 10.395 0.585 -4.724 200 H HIS 681 H HIS 681 8.185 -3.095 -1.266 201 HA HIS 681 HA HIS 681 10.170 -3.675 0.843 202 1HB HIS 681 2HB HIS 681 8.040 -1.547 0.969 203 2HB HIS 681 1HB HIS 681 8.586 -2.343 2.447 204 HD1 HIS 681 1HD HIS 681 11.603 -2.666 1.495 205 HD2 HIS 681 2HD HIS 681 9.413 0.880 1.441 206 HE1 HIS 681 1HE HIS 681 13.293 -0.782 1.476 207 H THR 682 H THR 682 8.507 -4.288 2.923 208 HA THR 682 HA THR 682 6.625 -6.305 1.735 209 HB THR 682 HB THR 682 8.408 -6.331 4.188 210 HG1 THR 682 1HG THR 682 8.303 -8.146 2.031 211 1HG2 THR 682 1HG2 THR 682 5.914 -7.563 3.934 212 2HG2 THR 682 2HG2 THR 682 7.179 -7.992 5.086 213 3HG2 THR 682 3HG2 THR 682 7.073 -8.834 3.541 214 H SER 683 H SER 683 4.509 -5.965 2.277 215 HA SER 683 HA SER 683 3.698 -3.900 4.143 216 1HB SER 683 2HB SER 683 2.100 -4.197 2.523 217 2HB SER 683 1HB SER 683 2.513 -5.894 2.297 218 HG SER 683 HG SER 683 0.582 -5.956 3.285 219 H LEU 684 H LEU 684 3.128 -4.141 6.311 220 HA LEU 684 HA LEU 684 2.993 -6.928 7.396 221 1HB LEU 684 2HB LEU 684 4.560 -6.394 9.057 222 2HB LEU 684 1HB LEU 684 5.189 -5.520 7.663 223 HG LEU 684 HG LEU 684 3.389 -4.303 9.781 224 1HD1 LEU 684 1HD1 LEU 684 5.770 -4.996 10.477 225 2HD1 LEU 684 2HD1 LEU 684 5.327 -3.308 10.730 226 3HD1 LEU 684 3HD1 LEU 684 6.330 -3.759 9.351 227 1HD2 LEU 684 1HD2 LEU 684 3.101 -3.044 7.809 228 2HD2 LEU 684 2HD2 LEU 684 4.774 -3.279 7.306 229 3HD2 LEU 684 3HD2 LEU 684 4.399 -2.187 8.640 230 H ALA 685 H ALA 685 1.957 -6.952 9.621 231 HA ALA 685 HA ALA 685 -0.603 -5.677 9.586 232 1HB ALA 685 1HB ALA 685 0.913 -7.570 11.124 233 2HB ALA 685 2HB ALA 685 -0.836 -7.349 11.083 234 3HB ALA 685 3HB ALA 685 0.142 -6.435 12.231 235 H GLY 686 H GLY 686 0.408 -3.397 9.199 236 1HA GLY 686 2HA GLY 686 0.021 -1.778 11.498 237 2HA GLY 686 1HA GLY 686 1.759 -2.007 11.295 238 H TRP 687 H TRP 687 1.570 -2.190 8.363 239 HA TRP 687 HA TRP 687 1.526 0.714 7.795 240 1HB TRP 687 2HB TRP 687 2.459 -1.819 6.473 241 2HB TRP 687 1HB TRP 687 2.260 -0.368 5.493 242 HD1 TRP 687 HD TRP 687 3.157 0.673 8.876 243 HE1 TRP 687 1HE TRP 687 5.668 1.237 9.036 244 HE3 TRP 687 3HE TRP 687 4.795 -1.357 4.489 245 HZ2 TRP 687 2HZ TRP 687 8.058 0.869 7.502 246 HZ3 TRP 687 3HZ TRP 687 7.187 -1.237 3.860 247 HH2 TRP 687 HH TRP 687 8.821 -0.127 5.360 248 H GLU 688 H GLU 688 -1.040 -0.592 8.330 249 HA GLU 688 HA GLU 688 -2.336 -0.933 5.710 250 1HB GLU 688 2HB GLU 688 -3.882 -0.752 8.263 251 2HB GLU 688 1HB GLU 688 -4.060 -1.877 6.924 252 1HG GLU 688 2HG GLU 688 -1.790 -2.850 7.651 253 2HG GLU 688 1HG GLU 688 -2.018 -1.946 9.148 254 HA PRO 689 HA PRO 689 -4.516 3.086 7.278 255 1HB PRO 689 2HB PRO 689 -2.728 4.393 9.111 256 2HB PRO 689 1HB PRO 689 -4.343 3.756 9.439 257 1HG PRO 689 2HG PRO 689 -1.870 2.722 10.387 258 2HG PRO 689 1HG PRO 689 -3.473 2.006 10.585 259 1HD PRO 689 2HD PRO 689 -1.292 1.154 8.838 260 2HD PRO 689 1HD PRO 689 -2.807 0.306 9.219 261 H SER 690 H SER 690 -1.295 2.492 6.411 262 HA SER 690 HA SER 690 0.125 3.587 4.872 263 1HB SER 690 2HB SER 690 -1.014 4.798 3.271 264 2HB SER 690 1HB SER 690 -2.407 4.103 4.092 265 HG SER 690 HG SER 690 -1.679 6.670 3.863 266 H ASN 691 H ASN 691 0.634 4.098 7.509 267 HA ASN 691 HA ASN 691 0.602 6.961 8.113 268 1HB ASN 691 2HB ASN 691 1.919 6.157 10.087 269 2HB ASN 691 1HB ASN 691 0.426 5.249 9.846 270 1HD2 ASN 691 1HD2 ASN 691 0.620 3.001 9.574 271 2HD2 ASN 691 2HD2 ASN 691 2.094 2.188 9.355 272 H VAL 692 H VAL 692 2.304 5.434 5.819 273 HA VAL 692 HA VAL 692 4.707 7.170 6.236 274 HB VAL 692 HB VAL 692 5.998 5.221 5.222 275 1HG1 VAL 692 1HG1 VAL 692 5.215 3.829 7.525 276 2HG1 VAL 692 2HG1 VAL 692 4.896 5.525 7.893 277 3HG1 VAL 692 3HG1 VAL 692 6.513 5.017 7.406 278 1HG2 VAL 692 1HG2 VAL 692 3.330 3.878 5.723 279 2HG2 VAL 692 2HG2 VAL 692 4.835 2.989 5.499 280 3HG2 VAL 692 3HG2 VAL 692 4.199 3.990 4.193 281 HA PRO 693 HA PRO 693 2.605 7.927 2.151 282 1HB PRO 693 2HB PRO 693 3.648 10.601 2.382 283 2HB PRO 693 1HB PRO 693 1.963 10.079 2.471 284 1HG PRO 693 2HG PRO 693 3.644 10.997 4.616 285 2HG PRO 693 1HG PRO 693 1.953 10.493 4.696 286 1HD PRO 693 2HD PRO 693 4.250 9.091 5.711 287 2HD PRO 693 1HD PRO 693 2.551 8.557 5.740 288 H ALA 694 H ALA 694 5.805 8.451 3.467 289 HA ALA 694 HA ALA 694 7.359 9.296 1.332 290 1HB ALA 694 1HB ALA 694 9.033 8.527 2.679 291 2HB ALA 694 2HB ALA 694 8.378 6.890 2.702 292 3HB ALA 694 3HB ALA 694 7.731 8.114 3.794 293 H LEU 695 H LEU 695 5.642 6.254 1.659 294 HA LEU 695 HA LEU 695 6.484 5.537 -1.121 295 1HB LEU 695 2HB LEU 695 6.684 3.176 -0.298 296 2HB LEU 695 1HB LEU 695 7.851 4.268 0.449 297 HG LEU 695 HG LEU 695 6.045 4.566 2.300 298 1HD1 LEU 695 1HD1 LEU 695 4.134 3.508 1.483 299 2HD1 LEU 695 2HD1 LEU 695 4.832 2.234 2.484 300 3HD1 LEU 695 3HD1 LEU 695 5.055 2.203 0.735 301 1HD2 LEU 695 1HD2 LEU 695 8.286 3.241 2.318 302 2HD2 LEU 695 2HD2 LEU 695 7.263 1.811 2.177 303 3HD2 LEU 695 3HD2 LEU 695 7.097 2.881 3.568 304 H TRP 696 H TRP 696 3.947 6.098 1.022 305 HA TRP 696 HA TRP 696 2.103 4.182 -0.333 306 1HB TRP 696 2HB TRP 696 2.282 5.608 2.262 307 2HB TRP 696 1HB TRP 696 0.654 5.425 1.609 308 HD1 TRP 696 HD TRP 696 2.335 3.803 4.071 309 HE1 TRP 696 1HE TRP 696 2.069 1.241 4.092 310 HE3 TRP 696 3HE TRP 696 0.670 3.054 -0.697 311 HZ2 TRP 696 2HZ TRP 696 1.252 -0.850 2.324 312 HZ3 TRP 696 3HZ TRP 696 0.152 0.769 -1.499 313 HH2 TRP 696 HH TRP 696 0.440 -1.184 0.004 314 H GLN 697 H GLN 697 1.449 5.144 -2.258 315 HA GLN 697 HA GLN 697 0.672 8.025 -2.243 316 1HB GLN 697 2HB GLN 697 2.233 7.004 -3.954 317 2HB GLN 697 1HB GLN 697 0.879 6.026 -4.519 318 1HG GLN 697 2HG GLN 697 0.545 7.787 -5.934 319 2HG GLN 697 1HG GLN 697 -0.270 8.487 -4.535 320 1HE2 GLN 697 1HE2 GLN 697 0.648 10.364 -3.614 321 2HE2 GLN 697 2HE2 GLN 697 2.130 11.032 -4.104 322 H LEU 698 H LEU 698 -1.349 7.632 -1.017 323 HA LEU 698 HA LEU 698 -3.371 5.869 -2.232 324 1HB LEU 698 2HB LEU 698 -4.404 6.067 -0.172 325 2HB LEU 698 1HB LEU 698 -2.760 6.495 0.294 326 HG LEU 698 HG LEU 698 -3.555 8.939 -0.357 327 1HD1 LEU 698 1HD1 LEU 698 -5.743 9.061 -0.883 328 2HD1 LEU 698 2HD1 LEU 698 -6.115 8.586 0.773 329 3HD1 LEU 698 3HD1 LEU 698 -5.979 7.359 -0.486 330 1HD2 LEU 698 1HD2 LEU 698 -4.598 8.973 2.093 331 2HD2 LEU 698 2HD2 LEU 698 -2.874 8.698 1.848 332 3HD2 LEU 698 3HD2 LEU 698 -3.951 7.333 2.142 333 H GLN 699 H GLN 699 -5.605 6.791 -2.604 334 HA GLN 699 HA GLN 699 -5.793 9.649 -3.276 335 1HB GLN 699 2HB GLN 699 -6.180 9.160 -5.692 336 2HB GLN 699 1HB GLN 699 -4.552 8.714 -5.179 337 1HG GLN 699 2HG GLN 699 -5.024 6.423 -5.216 338 2HG GLN 699 1HG GLN 699 -6.764 6.680 -5.067 339 1HE2 GLN 699 1HE2 GLN 699 -4.471 8.232 -7.365 340 2HE2 GLN 699 2HE2 GLN 699 -5.254 7.667 -8.762 Start of MODEL 2 1 HA ALA 655 HA ALA 655 -7.015 -5.005 -2.853 2 1HB ALA 655 1HB ALA 655 -8.991 -5.394 -1.686 3 2HB ALA 655 2HB ALA 655 -7.839 -5.337 -0.351 4 3HB ALA 655 3HB ALA 655 -8.392 -6.893 -0.974 5 H TRP 656 H TRP 656 -5.865 -4.167 -0.712 6 HA TRP 656 HA TRP 656 -3.161 -5.070 -0.721 7 1HB TRP 656 2HB TRP 656 -3.738 -2.847 -0.031 8 2HB TRP 656 1HB TRP 656 -4.853 -3.448 1.196 9 HD1 TRP 656 HD TRP 656 -1.142 -2.973 0.480 10 HE1 TRP 656 1HE TRP 656 0.179 -3.282 2.672 11 HE3 TRP 656 3HE TRP 656 -4.886 -4.614 3.544 12 HZ2 TRP 656 2HZ TRP 656 -0.289 -4.115 5.368 13 HZ3 TRP 656 3HZ TRP 656 -4.418 -5.158 5.918 14 HH2 TRP 656 HH TRP 656 -2.128 -4.909 6.832 15 H GLN 657 H GLN 657 -2.230 -6.802 0.308 16 HA GLN 657 HA GLN 657 -3.802 -8.155 2.474 17 1HB GLN 657 2HB GLN 657 -2.311 -10.134 1.681 18 2HB GLN 657 1HB GLN 657 -3.631 -9.623 0.631 19 1HG GLN 657 2HG GLN 657 -2.106 -8.326 -0.745 20 2HG GLN 657 1HG GLN 657 -0.770 -8.655 0.360 21 1HE2 GLN 657 1HE2 GLN 657 -1.304 -9.467 -2.589 22 2HE2 GLN 657 2HE2 GLN 657 -1.033 -11.143 -2.596 23 H VAL 658 H VAL 658 -2.747 -8.572 4.416 24 HA VAL 658 HA VAL 658 -0.358 -7.055 5.043 25 HB VAL 658 HB VAL 658 -2.154 -7.427 6.643 26 1HG1 VAL 658 1HG1 VAL 658 -2.328 -9.871 7.541 27 2HG1 VAL 658 2HG1 VAL 658 -1.587 -10.316 6.004 28 3HG1 VAL 658 3HG1 VAL 658 -3.135 -9.470 6.025 29 1HG2 VAL 658 1HG2 VAL 658 0.253 -9.071 7.487 30 2HG2 VAL 658 2HG2 VAL 658 -0.857 -8.200 8.545 31 3HG2 VAL 658 3HG2 VAL 658 0.223 -7.308 7.473 32 H ASN 659 H ASN 659 1.646 -8.016 5.888 33 HA ASN 659 HA ASN 659 3.500 -9.464 5.713 34 1HB ASN 659 2HB ASN 659 1.081 -10.986 6.234 35 2HB ASN 659 1HB ASN 659 2.248 -11.952 5.330 36 1HD2 ASN 659 1HD2 ASN 659 4.459 -12.170 6.300 37 2HD2 ASN 659 2HD2 ASN 659 4.655 -12.000 7.977 38 H THR 660 H THR 660 3.173 -8.215 3.356 39 HA THR 660 HA THR 660 3.626 -10.395 1.363 40 HB THR 660 HB THR 660 1.246 -9.356 1.415 41 HG1 THR 660 1HG THR 660 2.410 -8.981 -1.086 42 1HG2 THR 660 1HG2 THR 660 2.673 -6.993 1.331 43 2HG2 THR 660 2HG2 THR 660 0.964 -7.163 0.933 44 3HG2 THR 660 3HG2 THR 660 2.174 -7.202 -0.348 45 H ALA 661 H ALA 661 4.654 -9.418 -0.682 46 HA ALA 661 HA ALA 661 6.485 -7.172 0.100 47 1HB ALA 661 1HB ALA 661 7.419 -8.834 -2.076 48 2HB ALA 661 2HB ALA 661 6.956 -9.842 -0.705 49 3HB ALA 661 3HB ALA 661 8.159 -8.569 -0.498 50 H TYR 662 H TYR 662 5.763 -5.351 -0.957 51 HA TYR 662 HA TYR 662 4.578 -5.633 -3.677 52 1HB TYR 662 2HB TYR 662 4.599 -3.542 -1.500 53 2HB TYR 662 1HB TYR 662 4.045 -3.151 -3.129 54 HD1 TYR 662 1HD TYR 662 2.658 -3.648 -0.169 55 HD2 TYR 662 2HD TYR 662 2.733 -5.632 -3.978 56 HE1 TYR 662 1HE TYR 662 0.461 -4.686 0.329 57 HE2 TYR 662 2HE TYR 662 0.536 -6.670 -3.481 58 HH TYR 662 HH TYR 662 -1.260 -6.592 -2.100 59 H THR 663 H THR 663 5.313 -4.148 -5.375 60 HA THR 663 HA THR 663 8.216 -3.465 -5.098 61 HB THR 663 HB THR 663 8.085 -3.590 -7.628 62 HG1 THR 663 1HG THR 663 6.223 -4.024 -8.544 63 1HG2 THR 663 1HG2 THR 663 8.646 -5.764 -7.423 64 2HG2 THR 663 2HG2 THR 663 7.019 -6.203 -6.904 65 3HG2 THR 663 3HG2 THR 663 8.195 -5.625 -5.724 66 H ALA 664 H ALA 664 8.888 -1.452 -6.288 67 HA ALA 664 HA ALA 664 7.375 0.836 -5.524 68 1HB ALA 664 1HB ALA 664 9.761 0.153 -7.121 69 2HB ALA 664 2HB ALA 664 9.545 1.416 -5.909 70 3HB ALA 664 3HB ALA 664 9.000 1.681 -7.565 71 H GLY 665 H GLY 665 5.457 1.505 -6.402 72 1HA GLY 665 2HA GLY 665 4.171 2.384 -8.256 73 2HA GLY 665 1HA GLY 665 5.121 1.378 -9.352 74 H GLN 666 H GLN 666 3.813 0.078 -6.371 75 HA GLN 666 HA GLN 666 2.283 -1.913 -7.917 76 1HB GLN 666 2HB GLN 666 3.611 -1.693 -5.404 77 2HB GLN 666 1HB GLN 666 1.916 -2.055 -5.070 78 1HG GLN 666 2HG GLN 666 3.711 -3.604 -6.961 79 2HG GLN 666 1HG GLN 666 3.210 -4.133 -5.356 80 1HE2 GLN 666 1HE2 GLN 666 2.454 -4.540 -8.572 81 2HE2 GLN 666 2HE2 GLN 666 0.813 -4.946 -8.424 82 H LEU 667 H LEU 667 0.004 -2.433 -6.834 83 HA LEU 667 HA LEU 667 -1.438 0.104 -6.184 84 1HB LEU 667 2HB LEU 667 -1.353 -0.823 -8.696 85 2HB LEU 667 1HB LEU 667 -2.660 -1.844 -8.097 86 HG LEU 667 HG LEU 667 -2.610 1.171 -7.786 87 1HD1 LEU 667 1HD1 LEU 667 -3.641 -0.613 -9.968 88 2HD1 LEU 667 2HD1 LEU 667 -2.859 0.961 -10.092 89 3HD1 LEU 667 3HD1 LEU 667 -4.538 0.851 -9.564 90 1HD2 LEU 667 1HD2 LEU 667 -5.211 0.350 -7.680 91 2HD2 LEU 667 2HD2 LEU 667 -4.194 0.563 -6.256 92 3HD2 LEU 667 3HD2 LEU 667 -4.399 -1.041 -6.961 93 H VAL 668 H VAL 668 -1.987 -0.541 -4.080 94 HA VAL 668 HA VAL 668 -3.491 -3.126 -3.797 95 HB VAL 668 HB VAL 668 -2.634 -3.175 -1.545 96 1HG1 VAL 668 1HG1 VAL 668 -0.139 -2.869 -1.953 97 2HG1 VAL 668 2HG1 VAL 668 -0.562 -2.260 -3.553 98 3HG1 VAL 668 3HG1 VAL 668 -0.971 -3.915 -3.102 99 1HG2 VAL 668 1HG2 VAL 668 -1.776 -0.324 -2.119 100 2HG2 VAL 668 2HG2 VAL 668 -1.229 -1.238 -0.714 101 3HG2 VAL 668 3HG2 VAL 668 -2.942 -0.865 -0.911 102 H THR 669 H THR 669 -5.205 -2.956 -1.976 103 HA THR 669 HA THR 669 -6.328 -0.194 -1.753 104 HB THR 669 HB THR 669 -8.559 -1.199 -2.357 105 HG1 THR 669 1HG THR 669 -8.342 -3.251 -3.486 106 1HG2 THR 669 1HG2 THR 669 -6.296 -1.363 -4.361 107 2HG2 THR 669 2HG2 THR 669 -7.368 0.008 -4.068 108 3HG2 THR 669 3HG2 THR 669 -8.000 -1.465 -4.805 109 H TYR 670 H TYR 670 -6.980 0.199 0.346 110 HA TYR 670 HA TYR 670 -7.110 -2.119 2.212 111 1HB TYR 670 2HB TYR 670 -6.989 0.894 2.581 112 2HB TYR 670 1HB TYR 670 -7.060 -0.258 3.914 113 HD1 TYR 670 1HD TYR 670 -5.156 -1.606 4.515 114 HD2 TYR 670 2HD TYR 670 -5.038 0.929 1.051 115 HE1 TYR 670 1HE TYR 670 -2.706 -1.945 4.350 116 HE2 TYR 670 2HE TYR 670 -2.587 0.590 0.885 117 HH TYR 670 HH TYR 670 -0.776 -0.234 1.905 118 H ASN 671 H ASN 671 -9.210 -2.909 1.541 119 HA ASN 671 HA ASN 671 -11.583 -2.928 1.450 120 1HB ASN 671 2HB ASN 671 -10.564 -1.935 4.059 121 2HB ASN 671 1HB ASN 671 -12.297 -1.757 3.785 122 1HD2 ASN 671 1HD2 ASN 671 -12.035 -3.502 5.708 123 2HD2 ASN 671 2HD2 ASN 671 -12.061 -5.119 5.193 124 H GLY 672 H GLY 672 -11.902 -1.437 -0.342 125 1HA GLY 672 2HA GLY 672 -13.065 0.397 -1.251 126 2HA GLY 672 1HA GLY 672 -13.428 0.921 0.392 127 H LYS 673 H LYS 673 -10.166 0.469 0.360 128 HA LYS 673 HA LYS 673 -9.702 3.383 -0.100 129 1HB LYS 673 2HB LYS 673 -8.296 1.156 1.372 130 2HB LYS 673 1HB LYS 673 -7.547 2.733 1.141 131 1HG LYS 673 2HG LYS 673 -10.249 2.285 2.441 132 2HG LYS 673 1HG LYS 673 -8.746 2.565 3.320 133 1HD LYS 673 2HD LYS 673 -8.574 4.688 1.776 134 2HD LYS 673 1HD LYS 673 -10.315 4.463 1.604 135 1HE LYS 673 2HE LYS 673 -10.481 4.414 4.129 136 2HE LYS 673 1HE LYS 673 -8.773 4.890 4.184 137 1HZ LYS 673 1HZ LYS 673 -9.855 6.922 4.134 138 2HZ LYS 673 2HZ LYS 673 -11.071 6.375 3.081 139 3HZ LYS 673 3HZ LYS 673 -9.504 6.669 2.494 140 H THR 674 H THR 674 -8.305 4.073 -1.710 141 HA THR 674 HA THR 674 -7.142 1.981 -3.500 142 HB THR 674 HB THR 674 -7.399 4.948 -4.019 143 HG1 THR 674 1HG THR 674 -9.446 4.410 -3.540 144 1HG2 THR 674 1HG2 THR 674 -7.332 4.317 -6.312 145 2HG2 THR 674 2HG2 THR 674 -7.642 2.623 -5.931 146 3HG2 THR 674 3HG2 THR 674 -6.085 3.346 -5.529 147 H TYR 675 H TYR 675 -4.986 1.592 -3.130 148 HA TYR 675 HA TYR 675 -3.249 3.914 -2.379 149 1HB TYR 675 2HB TYR 675 -3.695 1.251 -1.095 150 2HB TYR 675 1HB TYR 675 -2.074 1.946 -1.023 151 HD1 TYR 675 1HD TYR 675 -1.579 3.794 0.395 152 HD2 TYR 675 2HD TYR 675 -5.651 2.583 -0.230 153 HE1 TYR 675 1HE TYR 675 -2.312 5.315 2.206 154 HE2 TYR 675 2HE TYR 675 -6.382 4.105 1.583 155 HH TYR 675 HH TYR 675 -5.152 5.120 3.738 156 H LYS 676 H LYS 676 -0.980 3.615 -2.970 157 HA LYS 676 HA LYS 676 -0.435 1.423 -4.918 158 1HB LYS 676 2HB LYS 676 0.104 2.940 -6.628 159 2HB LYS 676 1HB LYS 676 -1.280 3.720 -5.867 160 1HG LYS 676 2HG LYS 676 0.604 4.830 -4.358 161 2HG LYS 676 1HG LYS 676 1.617 4.468 -5.755 162 1HD LYS 676 2HD LYS 676 -0.814 5.545 -6.753 163 2HD LYS 676 1HD LYS 676 -0.287 6.593 -5.435 164 1HE LYS 676 2HE LYS 676 1.954 6.784 -6.473 165 2HE LYS 676 1HE LYS 676 1.416 5.744 -7.807 166 1HZ LYS 676 1HZ LYS 676 0.451 8.437 -7.066 167 2HZ LYS 676 2HZ LYS 676 -0.534 7.378 -7.958 168 3HZ LYS 676 3HZ LYS 676 0.966 7.876 -8.581 169 H CYS 677 H CYS 677 1.636 0.619 -4.666 170 HA CYS 677 HA CYS 677 3.300 1.684 -2.499 171 1HB CYS 677 2HB CYS 677 2.865 -0.763 -3.879 172 2HB CYS 677 1HB CYS 677 4.562 -0.344 -4.111 173 HG CYS 677 HG CYS 677 4.054 -1.660 -1.773 174 H LEU 678 H LEU 678 5.324 2.696 -2.757 175 HA LEU 678 HA LEU 678 5.987 3.559 -5.553 176 1HB LEU 678 2HB LEU 678 5.350 5.001 -3.245 177 2HB LEU 678 1HB LEU 678 7.106 5.128 -3.359 178 HG LEU 678 HG LEU 678 5.976 5.448 -5.981 179 1HD1 LEU 678 1HD1 LEU 678 3.973 6.144 -4.538 180 2HD1 LEU 678 2HD1 LEU 678 4.552 7.339 -5.700 181 3HD1 LEU 678 3HD1 LEU 678 4.970 7.493 -3.995 182 1HD2 LEU 678 1HD2 LEU 678 7.130 7.669 -5.761 183 2HD2 LEU 678 2HD2 LEU 678 8.155 6.304 -5.315 184 3HD2 LEU 678 3HD2 LEU 678 7.419 7.302 -4.060 185 H GLN 679 H GLN 679 7.114 1.860 -2.764 186 HA GLN 679 HA GLN 679 9.813 1.630 -4.033 187 1HB GLN 679 2HB GLN 679 9.320 1.959 -1.062 188 2HB GLN 679 1HB GLN 679 10.862 2.056 -1.912 189 1HG GLN 679 2HG GLN 679 10.089 4.074 -3.100 190 2HG GLN 679 1HG GLN 679 8.541 3.978 -2.260 191 1HE2 GLN 679 1HE2 GLN 679 9.442 6.283 -1.580 192 2HE2 GLN 679 2HE2 GLN 679 10.354 6.320 -0.149 193 HA PRO 680 HA PRO 680 9.079 -2.704 -3.427 194 1HB PRO 680 2HB PRO 680 11.897 -3.216 -3.148 195 2HB PRO 680 1HB PRO 680 10.879 -3.467 -4.570 196 1HG PRO 680 2HG PRO 680 12.886 -1.456 -4.182 197 2HG PRO 680 1HG PRO 680 11.854 -1.701 -5.594 198 1HD PRO 680 2HD PRO 680 11.708 0.421 -3.641 199 2HD PRO 680 1HD PRO 680 10.672 0.174 -5.067 200 H HIS 681 H HIS 681 8.221 -2.990 -1.343 201 HA HIS 681 HA HIS 681 10.185 -3.483 0.834 202 1HB HIS 681 2HB HIS 681 7.948 -1.449 0.803 203 2HB HIS 681 1HB HIS 681 8.616 -2.067 2.315 204 HD1 HIS 681 1HD HIS 681 11.602 -2.279 1.273 205 HD2 HIS 681 2HD HIS 681 9.173 1.095 0.951 206 HE1 HIS 681 1HE HIS 681 13.158 -0.299 1.017 207 H THR 682 H THR 682 8.266 -3.818 2.885 208 HA THR 682 HA THR 682 6.489 -5.972 1.783 209 HB THR 682 HB THR 682 8.357 -5.967 4.168 210 HG1 THR 682 1HG THR 682 8.140 -7.829 2.060 211 1HG2 THR 682 1HG2 THR 682 7.057 -7.490 5.182 212 2HG2 THR 682 2HG2 THR 682 7.072 -8.495 3.733 213 3HG2 THR 682 3HG2 THR 682 5.835 -7.252 3.930 214 H SER 683 H SER 683 4.409 -5.909 2.572 215 HA SER 683 HA SER 683 3.697 -3.764 4.482 216 1HB SER 683 2HB SER 683 2.155 -5.716 2.752 217 2HB SER 683 1HB SER 683 1.376 -4.535 3.799 218 HG SER 683 HG SER 683 3.256 -3.964 1.745 219 H LEU 684 H LEU 684 2.622 -4.198 6.481 220 HA LEU 684 HA LEU 684 2.266 -7.015 7.329 221 1HB LEU 684 2HB LEU 684 3.886 -6.922 9.043 222 2HB LEU 684 1HB LEU 684 4.684 -6.109 7.696 223 HG LEU 684 HG LEU 684 3.286 -4.802 10.049 224 1HD1 LEU 684 1HD1 LEU 684 5.586 -3.787 10.326 225 2HD1 LEU 684 2HD1 LEU 684 6.156 -4.900 9.083 226 3HD1 LEU 684 3HD1 LEU 684 5.517 -5.528 10.602 227 1HD2 LEU 684 1HD2 LEU 684 4.282 -3.701 7.423 228 2HD2 LEU 684 2HD2 LEU 684 4.227 -2.687 8.866 229 3HD2 LEU 684 3HD2 LEU 684 2.743 -3.399 8.230 230 H ALA 685 H ALA 685 1.587 -6.838 9.862 231 HA ALA 685 HA ALA 685 -0.886 -5.390 9.940 232 1HB ALA 685 1HB ALA 685 0.230 -6.030 12.546 233 2HB ALA 685 2HB ALA 685 0.505 -7.350 11.408 234 3HB ALA 685 3HB ALA 685 -1.134 -6.775 11.713 235 H GLY 686 H GLY 686 0.129 -3.221 9.277 236 1HA GLY 686 2HA GLY 686 0.133 -1.392 11.426 237 2HA GLY 686 1HA GLY 686 1.821 -1.771 11.080 238 H TRP 687 H TRP 687 1.324 -2.177 8.199 239 HA TRP 687 HA TRP 687 1.453 0.656 7.389 240 1HB TRP 687 2HB TRP 687 1.834 -2.028 6.040 241 2HB TRP 687 1HB TRP 687 1.930 -0.510 5.149 242 HD1 TRP 687 HD TRP 687 3.154 -0.127 8.618 243 HE1 TRP 687 1HE TRP 687 5.732 -0.059 8.664 244 HE3 TRP 687 3HE TRP 687 4.161 -1.673 3.857 245 HZ2 TRP 687 2HZ TRP 687 7.929 -0.589 6.910 246 HZ3 TRP 687 3HZ TRP 687 6.502 -1.881 3.071 247 HH2 TRP 687 HH TRP 687 8.385 -1.341 4.590 248 H GLU 688 H GLU 688 -1.165 -0.418 8.309 249 HA GLU 688 HA GLU 688 -2.759 -0.656 5.831 250 1HB GLU 688 2HB GLU 688 -4.105 -0.431 8.468 251 2HB GLU 688 1HB GLU 688 -4.343 -1.605 7.182 252 1HG GLU 688 2HG GLU 688 -2.052 -2.568 7.860 253 2HG GLU 688 1HG GLU 688 -2.215 -1.602 9.327 254 HA PRO 689 HA PRO 689 -4.517 3.440 7.665 255 1HB PRO 689 2HB PRO 689 -2.582 4.522 9.498 256 2HB PRO 689 1HB PRO 689 -4.224 3.974 9.850 257 1HG PRO 689 2HG PRO 689 -1.820 2.734 10.676 258 2HG PRO 689 1HG PRO 689 -3.453 2.081 10.828 259 1HD PRO 689 2HD PRO 689 -1.319 1.301 8.960 260 2HD PRO 689 1HD PRO 689 -2.826 0.445 9.362 261 H SER 690 H SER 690 -1.456 2.700 6.500 262 HA SER 690 HA SER 690 0.010 3.834 5.041 263 1HB SER 690 2HB SER 690 -1.067 5.270 3.571 264 2HB SER 690 1HB SER 690 -2.459 4.456 4.280 265 HG SER 690 HG SER 690 -2.165 6.310 5.915 266 H ASN 691 H ASN 691 0.757 4.177 7.589 267 HA ASN 691 HA ASN 691 0.785 6.980 8.435 268 1HB ASN 691 2HB ASN 691 2.606 4.778 9.406 269 2HB ASN 691 1HB ASN 691 1.911 6.113 10.325 270 1HD2 ASN 691 1HD2 ASN 691 1.595 2.824 9.824 271 2HD2 ASN 691 2HD2 ASN 691 -0.029 2.634 10.274 272 H VAL 692 H VAL 692 2.680 5.026 6.313 273 HA VAL 692 HA VAL 692 4.889 7.056 6.382 274 HB VAL 692 HB VAL 692 6.310 5.206 5.609 275 1HG1 VAL 692 1HG1 VAL 692 5.379 5.502 8.106 276 2HG1 VAL 692 2HG1 VAL 692 6.463 4.181 7.667 277 3HG1 VAL 692 3HG1 VAL 692 4.726 3.899 7.772 278 1HG2 VAL 692 1HG2 VAL 692 5.385 3.486 4.488 279 2HG2 VAL 692 2HG2 VAL 692 3.775 4.118 4.837 280 3HG2 VAL 692 3HG2 VAL 692 4.541 2.991 5.956 281 HA PRO 693 HA PRO 693 2.565 7.489 2.361 282 1HB PRO 693 2HB PRO 693 3.403 10.240 2.442 283 2HB PRO 693 1HB PRO 693 1.770 9.594 2.622 284 1HG PRO 693 2HG PRO 693 3.453 10.732 4.656 285 2HG PRO 693 1HG PRO 693 1.810 10.107 4.826 286 1HD PRO 693 2HD PRO 693 4.248 8.927 5.802 287 2HD PRO 693 1HD PRO 693 2.597 8.270 5.924 288 H ALA 694 H ALA 694 5.771 8.025 3.528 289 HA ALA 694 HA ALA 694 7.192 9.031 1.336 290 1HB ALA 694 1HB ALA 694 8.129 8.471 3.548 291 2HB ALA 694 2HB ALA 694 9.057 7.679 2.275 292 3HB ALA 694 3HB ALA 694 7.891 6.754 3.222 293 H LEU 695 H LEU 695 5.807 5.807 1.782 294 HA LEU 695 HA LEU 695 6.607 5.163 -1.038 295 1HB LEU 695 2HB LEU 695 6.657 2.755 -0.082 296 2HB LEU 695 1HB LEU 695 7.985 3.829 0.352 297 HG LEU 695 HG LEU 695 6.793 4.391 2.469 298 1HD1 LEU 695 1HD1 LEU 695 4.998 2.377 2.880 299 2HD1 LEU 695 2HD1 LEU 695 4.736 2.703 1.168 300 3HD1 LEU 695 3HD1 LEU 695 4.547 3.996 2.351 301 1HD2 LEU 695 1HD2 LEU 695 8.470 2.670 2.585 302 2HD2 LEU 695 2HD2 LEU 695 7.379 1.478 1.878 303 3HD2 LEU 695 3HD2 LEU 695 7.082 2.090 3.506 304 H TRP 696 H TRP 696 4.077 5.452 1.257 305 HA TRP 696 HA TRP 696 2.259 3.713 -0.355 306 1HB TRP 696 2HB TRP 696 2.409 4.737 2.453 307 2HB TRP 696 1HB TRP 696 0.813 4.385 1.794 308 HD1 TRP 696 HD TRP 696 2.923 2.728 3.949 309 HE1 TRP 696 1HE TRP 696 3.007 0.176 3.614 310 HE3 TRP 696 3HE TRP 696 0.995 2.393 -0.771 311 HZ2 TRP 696 2HZ TRP 696 2.344 -1.754 1.611 312 HZ3 TRP 696 3HZ TRP 696 0.734 0.185 -1.866 313 HH2 TRP 696 HH TRP 696 1.406 -1.888 -0.682 314 H GLN 697 H GLN 697 1.707 5.121 -2.087 315 HA GLN 697 HA GLN 697 0.569 7.792 -1.366 316 1HB GLN 697 2HB GLN 697 2.424 7.599 -3.035 317 2HB GLN 697 1HB GLN 697 1.374 6.601 -4.041 318 1HG GLN 697 2HG GLN 697 0.514 8.471 -4.944 319 2HG GLN 697 1HG GLN 697 -0.115 8.917 -3.357 320 1HE2 GLN 697 1HE2 GLN 697 0.921 10.637 -2.247 321 2HE2 GLN 697 2HE2 GLN 697 2.287 11.450 -2.840 322 H LEU 698 H LEU 698 -1.651 7.801 -1.193 323 HA LEU 698 HA LEU 698 -3.189 5.715 -2.665 324 1HB LEU 698 2HB LEU 698 -4.842 6.052 -0.984 325 2HB LEU 698 1HB LEU 698 -3.303 6.151 -0.131 326 HG LEU 698 HG LEU 698 -3.530 8.730 -0.750 327 1HD1 LEU 698 1HD1 LEU 698 -6.227 8.922 -0.182 328 2HD1 LEU 698 2HD1 LEU 698 -6.168 7.562 -1.304 329 3HD1 LEU 698 3HD1 LEU 698 -5.510 9.127 -1.781 330 1HD2 LEU 698 1HD2 LEU 698 -4.436 9.091 1.468 331 2HD2 LEU 698 2HD2 LEU 698 -3.412 7.657 1.529 332 3HD2 LEU 698 3HD2 LEU 698 -5.167 7.487 1.480 333 H GLN 699 H GLN 699 -5.595 6.764 -3.027 334 HA GLN 699 HA GLN 699 -5.484 9.485 -4.145 335 1HB GLN 699 2HB GLN 699 -5.818 8.742 -6.451 336 2HB GLN 699 1HB GLN 699 -4.354 7.995 -5.813 337 1HG GLN 699 2HG GLN 699 -5.205 5.932 -6.101 338 2HG GLN 699 1HG GLN 699 -6.662 6.359 -5.203 339 1HE2 GLN 699 1HE2 GLN 699 -5.225 7.108 -8.439 340 2HE2 GLN 699 2HE2 GLN 699 -6.692 6.960 -9.281 Start of MODEL 3 1 HA ALA 655 HA ALA 655 -7.141 -5.078 -2.131 2 1HB ALA 655 1HB ALA 655 -6.136 -7.717 -2.731 3 2HB ALA 655 2HB ALA 655 -6.900 -7.037 -4.169 4 3HB ALA 655 3HB ALA 655 -7.812 -7.169 -2.664 5 H TRP 656 H TRP 656 -5.700 -4.258 -0.600 6 HA TRP 656 HA TRP 656 -2.868 -4.779 -0.572 7 1HB TRP 656 2HB TRP 656 -3.964 -2.842 0.485 8 2HB TRP 656 1HB TRP 656 -4.808 -3.917 1.599 9 HD1 TRP 656 HD TRP 656 -1.221 -2.849 0.672 10 HE1 TRP 656 1HE TRP 656 0.273 -3.135 2.753 11 HE3 TRP 656 3HE TRP 656 -4.576 -4.979 3.881 12 HZ2 TRP 656 2HZ TRP 656 0.073 -4.135 5.423 13 HZ3 TRP 656 3HZ TRP 656 -3.896 -5.587 6.187 14 HH2 TRP 656 HH TRP 656 -1.578 -5.168 6.961 15 H GLN 657 H GLN 657 -1.907 -6.694 -0.037 16 HA GLN 657 HA GLN 657 -3.432 -8.659 1.620 17 1HB GLN 657 2HB GLN 657 -1.002 -8.910 -0.185 18 2HB GLN 657 1HB GLN 657 -1.809 -10.256 0.620 19 1HG GLN 657 2HG GLN 657 -2.966 -8.427 -1.498 20 2HG GLN 657 1HG GLN 657 -2.668 -10.161 -1.627 21 1HE2 GLN 657 1HE2 GLN 657 -3.910 -11.516 0.118 22 2HE2 GLN 657 2HE2 GLN 657 -5.494 -11.018 0.471 23 H VAL 658 H VAL 658 -2.888 -8.529 3.774 24 HA VAL 658 HA VAL 658 -0.617 -7.250 4.874 25 HB VAL 658 HB VAL 658 -2.655 -7.858 6.104 26 1HG1 VAL 658 1HG1 VAL 658 -3.053 -10.018 4.949 27 2HG1 VAL 658 2HG1 VAL 658 -3.093 -10.201 6.703 28 3HG1 VAL 658 3HG1 VAL 658 -1.670 -10.711 5.796 29 1HG2 VAL 658 1HG2 VAL 658 -0.444 -9.478 7.357 30 2HG2 VAL 658 2HG2 VAL 658 -1.612 -8.413 8.139 31 3HG2 VAL 658 3HG2 VAL 658 -0.287 -7.728 7.198 32 H ASN 659 H ASN 659 1.331 -8.184 5.800 33 HA ASN 659 HA ASN 659 3.275 -9.520 5.632 34 1HB ASN 659 2HB ASN 659 0.935 -11.431 5.634 35 2HB ASN 659 1HB ASN 659 2.597 -12.022 5.632 36 1HD2 ASN 659 1HD2 ASN 659 2.791 -12.756 7.796 37 2HD2 ASN 659 2HD2 ASN 659 2.569 -11.757 9.151 38 H THR 660 H THR 660 3.014 -8.342 3.263 39 HA THR 660 HA THR 660 3.513 -10.536 1.295 40 HB THR 660 HB THR 660 1.650 -8.158 1.042 41 HG1 THR 660 1HG THR 660 0.374 -10.164 0.318 42 1HG2 THR 660 1HG2 THR 660 2.448 -10.149 -1.099 43 2HG2 THR 660 2HG2 THR 660 3.033 -8.487 -1.013 44 3HG2 THR 660 3HG2 THR 660 1.319 -8.807 -1.279 45 H ALA 661 H ALA 661 4.761 -9.750 -0.598 46 HA ALA 661 HA ALA 661 6.533 -7.457 0.138 47 1HB ALA 661 1HB ALA 661 6.940 -9.586 -1.978 48 2HB ALA 661 2HB ALA 661 7.358 -9.849 -0.285 49 3HB ALA 661 3HB ALA 661 8.168 -8.583 -1.207 50 H TYR 662 H TYR 662 6.296 -5.585 -1.029 51 HA TYR 662 HA TYR 662 4.930 -5.756 -3.700 52 1HB TYR 662 2HB TYR 662 4.796 -3.789 -1.410 53 2HB TYR 662 1HB TYR 662 4.242 -3.354 -3.027 54 HD1 TYR 662 1HD TYR 662 3.017 -5.765 -4.052 55 HD2 TYR 662 2HD TYR 662 2.909 -4.156 -0.071 56 HE1 TYR 662 1HE TYR 662 0.871 -6.938 -3.636 57 HE2 TYR 662 2HE TYR 662 0.764 -5.329 0.345 58 HH TYR 662 HH TYR 662 -1.165 -6.520 -2.005 59 H THR 663 H THR 663 5.789 -4.428 -5.364 60 HA THR 663 HA THR 663 8.574 -3.470 -4.888 61 HB THR 663 HB THR 663 8.742 -3.665 -7.325 62 HG1 THR 663 1HG THR 663 6.975 -3.341 -8.382 63 1HG2 THR 663 1HG2 THR 663 8.212 -5.782 -5.555 64 2HG2 THR 663 2HG2 THR 663 9.007 -5.891 -7.125 65 3HG2 THR 663 3HG2 THR 663 7.266 -6.137 -7.001 66 H ALA 664 H ALA 664 9.175 -1.374 -5.928 67 HA ALA 664 HA ALA 664 7.486 0.788 -5.209 68 1HB ALA 664 1HB ALA 664 9.277 1.412 -7.399 69 2HB ALA 664 2HB ALA 664 10.061 0.321 -6.257 70 3HB ALA 664 3HB ALA 664 9.411 1.862 -5.699 71 H GLY 665 H GLY 665 5.440 0.995 -6.122 72 1HA GLY 665 2HA GLY 665 4.329 2.036 -8.102 73 2HA GLY 665 1HA GLY 665 5.307 0.969 -9.111 74 H GLN 666 H GLN 666 3.908 -0.240 -6.145 75 HA GLN 666 HA GLN 666 2.308 -2.168 -7.724 76 1HB GLN 666 2HB GLN 666 3.664 -2.027 -5.178 77 2HB GLN 666 1HB GLN 666 1.989 -2.522 -4.929 78 1HG GLN 666 2HG GLN 666 3.727 -3.786 -7.052 79 2HG GLN 666 1HG GLN 666 3.677 -4.398 -5.399 80 1HE2 GLN 666 1HE2 GLN 666 2.557 -5.456 -8.120 81 2HE2 GLN 666 2HE2 GLN 666 0.951 -5.861 -7.744 82 H LEU 667 H LEU 667 0.077 -2.679 -6.461 83 HA LEU 667 HA LEU 667 -1.282 -0.097 -5.793 84 1HB LEU 667 2HB LEU 667 -1.426 -1.528 -8.221 85 2HB LEU 667 1HB LEU 667 -2.939 -1.866 -7.379 86 HG LEU 667 HG LEU 667 -2.194 0.940 -7.152 87 1HD1 LEU 667 1HD1 LEU 667 -3.114 0.572 -9.878 88 2HD1 LEU 667 2HD1 LEU 667 -1.559 -0.223 -9.633 89 3HD1 LEU 667 3HD1 LEU 667 -1.732 1.497 -9.287 90 1HD2 LEU 667 1HD2 LEU 667 -4.465 1.193 -7.320 91 2HD2 LEU 667 2HD2 LEU 667 -4.466 -0.545 -7.015 92 3HD2 LEU 667 3HD2 LEU 667 -4.592 0.062 -8.667 93 H VAL 668 H VAL 668 -2.467 -0.348 -3.941 94 HA VAL 668 HA VAL 668 -3.626 -3.039 -3.335 95 HB VAL 668 HB VAL 668 -2.705 -2.991 -1.142 96 1HG1 VAL 668 1HG1 VAL 668 -1.059 -3.378 -3.050 97 2HG1 VAL 668 2HG1 VAL 668 -0.341 -2.882 -1.518 98 3HG1 VAL 668 3HG1 VAL 668 -0.535 -1.709 -2.820 99 1HG2 VAL 668 1HG2 VAL 668 -1.637 -1.013 -0.170 100 2HG2 VAL 668 2HG2 VAL 668 -3.268 -0.601 -0.703 101 3HG2 VAL 668 3HG2 VAL 668 -1.874 -0.120 -1.673 102 H THR 669 H THR 669 -5.502 -2.904 -1.886 103 HA THR 669 HA THR 669 -6.601 -0.154 -1.476 104 HB THR 669 HB THR 669 -8.763 -1.009 -2.421 105 HG1 THR 669 1HG THR 669 -8.903 -3.059 -2.748 106 1HG2 THR 669 1HG2 THR 669 -6.294 -1.107 -4.169 107 2HG2 THR 669 2HG2 THR 669 -7.352 0.276 -3.888 108 3HG2 THR 669 3HG2 THR 669 -7.938 -1.109 -4.810 109 H TYR 670 H TYR 670 -7.274 0.006 0.630 110 HA TYR 670 HA TYR 670 -7.557 -2.422 2.271 111 1HB TYR 670 2HB TYR 670 -7.694 0.564 2.744 112 2HB TYR 670 1HB TYR 670 -7.976 -0.607 4.033 113 HD1 TYR 670 1HD TYR 670 -6.174 -2.186 4.712 114 HD2 TYR 670 2HD TYR 670 -5.490 0.962 1.876 115 HE1 TYR 670 1HE TYR 670 -3.727 -2.449 5.012 116 HE2 TYR 670 2HE TYR 670 -3.042 0.701 2.175 117 HH TYR 670 HH TYR 670 -1.455 -1.003 2.909 118 H ASN 671 H ASN 671 -9.545 -2.005 3.983 119 HA ASN 671 HA ASN 671 -11.902 -2.946 3.101 120 1HB ASN 671 2HB ASN 671 -12.975 -1.405 4.839 121 2HB ASN 671 1HB ASN 671 -11.595 -2.351 5.395 122 1HD2 ASN 671 1HD2 ASN 671 -12.621 0.920 4.448 123 2HD2 ASN 671 2HD2 ASN 671 -11.271 1.715 5.100 124 H GLY 672 H GLY 672 -10.895 0.422 2.572 125 1HA GLY 672 2HA GLY 672 -12.639 0.653 0.269 126 2HA GLY 672 1HA GLY 672 -13.254 1.572 1.644 127 H LYS 673 H LYS 673 -9.869 1.016 0.701 128 HA LYS 673 HA LYS 673 -9.632 3.955 0.154 129 1HB LYS 673 2HB LYS 673 -7.833 2.198 1.853 130 2HB LYS 673 1HB LYS 673 -7.546 3.902 1.495 131 1HG LYS 673 2HG LYS 673 -10.046 2.868 2.859 132 2HG LYS 673 1HG LYS 673 -8.647 3.504 3.724 133 1HD LYS 673 2HD LYS 673 -8.899 5.667 2.707 134 2HD LYS 673 1HD LYS 673 -10.120 5.063 1.587 135 1HE LYS 673 2HE LYS 673 -11.783 5.031 3.203 136 2HE LYS 673 1HE LYS 673 -10.632 4.755 4.526 137 1HZ LYS 673 1HZ LYS 673 -9.744 6.995 4.130 138 2HZ LYS 673 2HZ LYS 673 -11.382 7.037 4.576 139 3HZ LYS 673 3HZ LYS 673 -10.936 7.260 2.953 140 H THR 674 H THR 674 -8.010 4.491 -1.382 141 HA THR 674 HA THR 674 -6.978 2.169 -2.966 142 HB THR 674 HB THR 674 -7.487 5.084 -3.650 143 HG1 THR 674 1HG THR 674 -9.224 3.357 -3.329 144 1HG2 THR 674 1HG2 THR 674 -5.799 3.179 -4.903 145 2HG2 THR 674 2HG2 THR 674 -6.275 4.764 -5.514 146 3HG2 THR 674 3HG2 THR 674 -7.232 3.339 -5.918 147 H TYR 675 H TYR 675 -4.776 1.861 -3.001 148 HA TYR 675 HA TYR 675 -3.012 4.153 -2.213 149 1HB TYR 675 2HB TYR 675 -3.174 1.318 -1.208 150 2HB TYR 675 1HB TYR 675 -1.677 2.239 -1.064 151 HD1 TYR 675 1HD TYR 675 -5.112 1.855 0.119 152 HD2 TYR 675 2HD TYR 675 -1.611 4.336 0.262 153 HE1 TYR 675 1HE TYR 675 -6.021 3.023 2.106 154 HE2 TYR 675 2HE TYR 675 -2.522 5.507 2.248 155 HH TYR 675 HH TYR 675 -5.526 4.444 3.791 156 H LYS 676 H LYS 676 -0.805 3.957 -3.042 157 HA LYS 676 HA LYS 676 -0.478 2.000 -5.286 158 1HB LYS 676 2HB LYS 676 -0.716 4.910 -5.309 159 2HB LYS 676 1HB LYS 676 0.785 4.372 -6.061 160 1HG LYS 676 2HG LYS 676 -0.461 3.996 -7.911 161 2HG LYS 676 1HG LYS 676 -1.081 2.583 -7.055 162 1HD LYS 676 2HD LYS 676 -3.132 3.504 -7.028 163 2HD LYS 676 1HD LYS 676 -2.501 4.863 -6.097 164 1HE LYS 676 2HE LYS 676 -3.404 5.863 -8.065 165 2HE LYS 676 1HE LYS 676 -1.661 5.771 -8.389 166 1HZ LYS 676 1HZ LYS 676 -2.309 4.628 -10.199 167 2HZ LYS 676 2HZ LYS 676 -3.836 4.252 -9.559 168 3HZ LYS 676 3HZ LYS 676 -2.479 3.329 -9.124 169 H CYS 677 H CYS 677 1.101 0.758 -4.211 170 HA CYS 677 HA CYS 677 3.144 1.604 -2.487 171 1HB CYS 677 2HB CYS 677 2.492 -0.655 -4.211 172 2HB CYS 677 1HB CYS 677 4.235 -0.425 -4.080 173 HG CYS 677 HG CYS 677 4.148 -0.951 -1.617 174 H LEU 678 H LEU 678 5.059 2.731 -2.792 175 HA LEU 678 HA LEU 678 5.832 3.357 -5.625 176 1HB LEU 678 2HB LEU 678 5.001 5.002 -3.481 177 2HB LEU 678 1HB LEU 678 6.732 5.284 -3.670 178 HG LEU 678 HG LEU 678 5.199 5.148 -6.198 179 1HD1 LEU 678 1HD1 LEU 678 5.009 7.703 -4.635 180 2HD1 LEU 678 2HD1 LEU 678 3.805 6.442 -4.371 181 3HD1 LEU 678 3HD1 LEU 678 4.012 7.141 -5.977 182 1HD2 LEU 678 1HD2 LEU 678 6.974 6.365 -6.913 183 2HD2 LEU 678 2HD2 LEU 678 7.703 5.989 -5.352 184 3HD2 LEU 678 3HD2 LEU 678 6.830 7.505 -5.574 185 H GLN 679 H GLN 679 6.817 1.639 -2.944 186 HA GLN 679 HA GLN 679 9.639 1.718 -3.859 187 1HB GLN 679 2HB GLN 679 8.550 2.700 -1.252 188 2HB GLN 679 1HB GLN 679 10.122 1.899 -1.244 189 1HG GLN 679 2HG GLN 679 10.426 3.542 -3.388 190 2HG GLN 679 1HG GLN 679 9.342 4.517 -2.394 191 1HE2 GLN 679 1HE2 GLN 679 12.612 3.700 -2.859 192 2HE2 GLN 679 2HE2 GLN 679 13.216 4.265 -1.376 193 HA PRO 680 HA PRO 680 9.380 -2.619 -3.073 194 1HB PRO 680 2HB PRO 680 12.143 -2.761 -2.280 195 2HB PRO 680 1HB PRO 680 11.438 -3.186 -3.843 196 1HG PRO 680 2HG PRO 680 13.086 -0.922 -3.216 197 2HG PRO 680 1HG PRO 680 12.374 -1.349 -4.774 198 1HD PRO 680 2HD PRO 680 11.614 0.810 -3.017 199 2HD PRO 680 1HD PRO 680 10.889 0.369 -4.583 200 H HIS 681 H HIS 681 8.144 -2.745 -1.134 201 HA HIS 681 HA HIS 681 9.743 -3.036 1.360 202 1HB HIS 681 2HB HIS 681 7.452 -1.124 0.854 203 2HB HIS 681 1HB HIS 681 7.940 -1.594 2.483 204 HD1 HIS 681 1HD HIS 681 10.994 -1.636 2.142 205 HD2 HIS 681 2HD HIS 681 8.572 1.422 0.674 206 HE1 HIS 681 1HE HIS 681 12.486 0.391 1.870 207 H THR 682 H THR 682 8.387 -4.076 3.103 208 HA THR 682 HA THR 682 6.448 -5.993 1.877 209 HB THR 682 HB THR 682 8.124 -6.000 4.405 210 HG1 THR 682 1HG THR 682 9.282 -7.530 3.319 211 1HG2 THR 682 1HG2 THR 682 5.791 -7.163 4.450 212 2HG2 THR 682 2HG2 THR 682 7.200 -8.074 4.993 213 3HG2 THR 682 3HG2 THR 682 6.543 -8.345 3.379 214 H SER 683 H SER 683 4.323 -6.004 2.558 215 HA SER 683 HA SER 683 3.449 -3.891 4.437 216 1HB SER 683 2HB SER 683 1.185 -4.807 3.640 217 2HB SER 683 1HB SER 683 2.218 -4.108 2.398 218 HG SER 683 HG SER 683 1.199 -6.492 2.404 219 H LEU 684 H LEU 684 2.410 -4.354 6.426 220 HA LEU 684 HA LEU 684 1.900 -7.141 7.224 221 1HB LEU 684 2HB LEU 684 3.619 -7.273 8.846 222 2HB LEU 684 1HB LEU 684 4.414 -6.525 7.462 223 HG LEU 684 HG LEU 684 3.266 -5.065 9.860 224 1HD1 LEU 684 1HD1 LEU 684 5.882 -4.401 9.761 225 2HD1 LEU 684 2HD1 LEU 684 5.969 -6.027 9.086 226 3HD1 LEU 684 3HD1 LEU 684 5.280 -5.774 10.690 227 1HD2 LEU 684 1HD2 LEU 684 4.469 -4.141 7.250 228 2HD2 LEU 684 2HD2 LEU 684 4.548 -3.132 8.694 229 3HD2 LEU 684 3HD2 LEU 684 2.983 -3.598 8.030 230 H ALA 685 H ALA 685 1.334 -7.053 9.751 231 HA ALA 685 HA ALA 685 -0.941 -5.369 10.080 232 1HB ALA 685 1HB ALA 685 -0.370 -7.544 11.237 233 2HB ALA 685 2HB ALA 685 -0.936 -6.280 12.329 234 3HB ALA 685 3HB ALA 685 0.786 -6.648 12.223 235 H GLY 686 H GLY 686 0.093 -3.253 9.452 236 1HA GLY 686 2HA GLY 686 0.468 -1.516 11.622 237 2HA GLY 686 1HA GLY 686 2.084 -2.018 11.125 238 H TRP 687 H TRP 687 1.685 -2.233 8.346 239 HA TRP 687 HA TRP 687 1.606 0.638 7.630 240 1HB TRP 687 2HB TRP 687 2.343 -1.935 6.208 241 2HB TRP 687 1HB TRP 687 2.406 -0.356 5.426 242 HD1 TRP 687 HD TRP 687 3.251 0.370 8.826 243 HE1 TRP 687 1HE TRP 687 5.800 0.436 9.209 244 HE3 TRP 687 3HE TRP 687 4.840 -1.942 4.562 245 HZ2 TRP 687 2HZ TRP 687 8.196 -0.385 7.879 246 HZ3 TRP 687 3HZ TRP 687 7.258 -2.286 4.144 247 HH2 TRP 687 HH TRP 687 8.936 -1.511 5.795 248 H GLU 688 H GLU 688 -0.930 -0.592 8.357 249 HA GLU 688 HA GLU 688 -2.349 -1.070 5.811 250 1HB GLU 688 2HB GLU 688 -3.862 -0.758 8.350 251 2HB GLU 688 1HB GLU 688 -3.970 -2.013 7.124 252 1HG GLU 688 2HG GLU 688 -1.682 -2.823 7.976 253 2HG GLU 688 1HG GLU 688 -1.963 -1.778 9.369 254 HA PRO 689 HA PRO 689 -4.438 3.031 7.269 255 1HB PRO 689 2HB PRO 689 -2.633 4.356 9.076 256 2HB PRO 689 1HB PRO 689 -4.257 3.748 9.416 257 1HG PRO 689 2HG PRO 689 -1.812 2.706 10.404 258 2HG PRO 689 1HG PRO 689 -3.418 1.995 10.582 259 1HD PRO 689 2HD PRO 689 -1.209 1.139 8.855 260 2HD PRO 689 1HD PRO 689 -2.709 0.272 9.262 261 H SER 690 H SER 690 -1.251 2.368 6.372 262 HA SER 690 HA SER 690 0.212 3.428 4.855 263 1HB SER 690 2HB SER 690 -0.900 4.579 3.183 264 2HB SER 690 1HB SER 690 -2.287 3.842 3.976 265 HG SER 690 HG SER 690 -1.435 6.476 3.917 266 H ASN 691 H ASN 691 0.828 4.049 7.370 267 HA ASN 691 HA ASN 691 0.634 6.904 7.973 268 1HB ASN 691 2HB ASN 691 2.553 4.926 9.202 269 2HB ASN 691 1HB ASN 691 1.730 6.282 9.974 270 1HD2 ASN 691 1HD2 ASN 691 1.687 2.992 9.941 271 2HD2 ASN 691 2HD2 ASN 691 0.043 2.711 10.255 272 H VAL 692 H VAL 692 2.557 5.169 5.814 273 HA VAL 692 HA VAL 692 4.745 7.212 6.024 274 HB VAL 692 HB VAL 692 6.151 5.368 4.997 275 1HG1 VAL 692 1HG1 VAL 692 6.492 5.600 7.296 276 2HG1 VAL 692 2HG1 VAL 692 5.967 3.919 7.182 277 3HG1 VAL 692 3HG1 VAL 692 4.828 5.167 7.687 278 1HG2 VAL 692 1HG2 VAL 692 3.691 3.712 5.653 279 2HG2 VAL 692 2HG2 VAL 692 5.247 3.075 5.123 280 3HG2 VAL 692 3HG2 VAL 692 4.282 4.063 4.030 281 HA PRO 693 HA PRO 693 2.568 7.961 2.027 282 1HB PRO 693 2HB PRO 693 3.727 10.592 2.158 283 2HB PRO 693 1HB PRO 693 2.031 10.138 2.357 284 1HG PRO 693 2HG PRO 693 3.861 11.028 4.379 285 2HG PRO 693 1HG PRO 693 2.169 10.567 4.576 286 1HD PRO 693 2HD PRO 693 4.509 9.116 5.437 287 2HD PRO 693 1HD PRO 693 2.802 8.648 5.629 288 H ALA 694 H ALA 694 5.862 8.447 3.140 289 HA ALA 694 HA ALA 694 7.285 9.187 0.873 290 1HB ALA 694 1HB ALA 694 8.969 8.618 2.272 291 2HB ALA 694 2HB ALA 694 8.517 6.915 2.198 292 3HB ALA 694 3HB ALA 694 7.749 7.981 3.375 293 H LEU 695 H LEU 695 5.709 6.086 1.502 294 HA LEU 695 HA LEU 695 6.463 5.230 -1.274 295 1HB LEU 695 2HB LEU 695 6.724 2.964 -0.372 296 2HB LEU 695 1HB LEU 695 7.751 4.081 0.529 297 HG LEU 695 HG LEU 695 5.582 4.287 2.057 298 1HD1 LEU 695 1HD1 LEU 695 4.972 1.585 2.028 299 2HD1 LEU 695 2HD1 LEU 695 5.075 1.982 0.313 300 3HD1 LEU 695 3HD1 LEU 695 3.963 2.866 1.358 301 1HD2 LEU 695 1HD2 LEU 695 6.618 1.903 3.017 302 2HD2 LEU 695 2HD2 LEU 695 7.272 3.507 3.350 303 3HD2 LEU 695 3HD2 LEU 695 7.938 2.537 2.035 304 H TRP 696 H TRP 696 3.958 5.982 0.849 305 HA TRP 696 HA TRP 696 2.058 4.104 -0.497 306 1HB TRP 696 2HB TRP 696 2.255 5.472 2.149 307 2HB TRP 696 1HB TRP 696 0.638 5.175 1.516 308 HD1 TRP 696 HD TRP 696 2.473 3.659 3.942 309 HE1 TRP 696 1HE TRP 696 2.386 1.084 3.946 310 HE3 TRP 696 3HE TRP 696 0.792 2.819 -0.814 311 HZ2 TRP 696 2HZ TRP 696 1.697 -1.048 2.173 312 HZ3 TRP 696 3HZ TRP 696 0.431 0.507 -1.624 313 HH2 TRP 696 HH TRP 696 0.880 -1.425 -0.139 314 H GLN 697 H GLN 697 1.500 5.245 -2.400 315 HA GLN 697 HA GLN 697 0.633 8.089 -2.114 316 1HB GLN 697 2HB GLN 697 2.228 7.529 -3.888 317 2HB GLN 697 1HB GLN 697 1.148 6.273 -4.494 318 1HG GLN 697 2HG GLN 697 -0.248 7.773 -5.508 319 2HG GLN 697 1HG GLN 697 -0.041 8.978 -4.236 320 1HE2 GLN 697 1HE2 GLN 697 1.644 7.546 -7.064 321 2HE2 GLN 697 2HE2 GLN 697 2.603 8.910 -7.377 322 H LEU 698 H LEU 698 -1.434 7.748 -1.113 323 HA LEU 698 HA LEU 698 -3.352 5.945 -2.478 324 1HB LEU 698 2HB LEU 698 -4.448 5.942 -0.427 325 2HB LEU 698 1HB LEU 698 -2.800 6.289 0.092 326 HG LEU 698 HG LEU 698 -3.709 8.808 -0.429 327 1HD1 LEU 698 1HD1 LEU 698 -6.026 7.168 -0.378 328 2HD1 LEU 698 2HD1 LEU 698 -5.956 8.930 -0.411 329 3HD1 LEU 698 3HD1 LEU 698 -6.014 8.078 1.133 330 1HD2 LEU 698 1HD2 LEU 698 -3.671 9.102 1.925 331 2HD2 LEU 698 2HD2 LEU 698 -2.592 7.735 1.642 332 3HD2 LEU 698 3HD2 LEU 698 -4.235 7.457 2.222 333 H GLN 699 H GLN 699 -5.730 7.027 -2.275 334 HA GLN 699 HA GLN 699 -5.780 9.870 -3.047 335 1HB GLN 699 2HB GLN 699 -6.828 9.191 -5.298 336 2HB GLN 699 1HB GLN 699 -5.088 8.944 -5.135 337 1HG GLN 699 2HG GLN 699 -5.310 6.622 -4.877 338 2HG GLN 699 1HG GLN 699 -7.007 6.742 -4.410 339 1HE2 GLN 699 1HE2 GLN 699 -8.406 6.113 -6.053 340 2HE2 GLN 699 2HE2 GLN 699 -8.092 6.257 -7.715 Start of MODEL 4 1 HA ALA 655 HA ALA 655 -6.904 -4.638 -2.772 2 1HB ALA 655 1HB ALA 655 -8.159 -6.539 -2.912 3 2HB ALA 655 2HB ALA 655 -6.807 -7.295 -2.068 4 3HB ALA 655 3HB ALA 655 -6.917 -7.394 -3.825 5 H TRP 656 H TRP 656 -5.816 -4.491 -0.782 6 HA TRP 656 HA TRP 656 -2.909 -4.997 -0.844 7 1HB TRP 656 2HB TRP 656 -3.644 -2.890 0.023 8 2HB TRP 656 1HB TRP 656 -4.861 -3.657 1.043 9 HD1 TRP 656 HD TRP 656 -1.160 -2.866 0.860 10 HE1 TRP 656 1HE TRP 656 -0.062 -3.427 3.124 11 HE3 TRP 656 3HE TRP 656 -5.044 -5.257 3.159 12 HZ2 TRP 656 2HZ TRP 656 -0.739 -4.719 5.583 13 HZ3 TRP 656 3HZ TRP 656 -4.790 -6.143 5.459 14 HH2 TRP 656 HH TRP 656 -2.644 -5.878 6.673 15 H GLN 657 H GLN 657 -1.842 -6.397 0.651 16 HA GLN 657 HA GLN 657 -3.596 -8.183 2.292 17 1HB GLN 657 2HB GLN 657 -1.515 -8.872 0.210 18 2HB GLN 657 1HB GLN 657 -2.011 -10.033 1.440 19 1HG GLN 657 2HG GLN 657 -3.928 -8.621 -0.437 20 2HG GLN 657 1HG GLN 657 -3.304 -10.250 -0.697 21 1HE2 GLN 657 1HE2 GLN 657 -6.011 -10.170 -0.465 22 2HE2 GLN 657 2HE2 GLN 657 -6.525 -10.697 1.065 23 H VAL 658 H VAL 658 -2.623 -8.851 4.242 24 HA VAL 658 HA VAL 658 -0.310 -7.303 5.148 25 HB VAL 658 HB VAL 658 -2.234 -7.752 6.586 26 1HG1 VAL 658 1HG1 VAL 658 -3.236 -9.739 6.035 27 2HG1 VAL 658 2HG1 VAL 658 -2.226 -10.344 7.349 28 3HG1 VAL 658 3HG1 VAL 658 -1.702 -10.531 5.675 29 1HG2 VAL 658 1HG2 VAL 658 -0.990 -8.990 8.477 30 2HG2 VAL 658 2HG2 VAL 658 -0.231 -7.527 7.846 31 3HG2 VAL 658 3HG2 VAL 658 0.357 -9.113 7.344 32 H ASN 659 H ASN 659 1.674 -8.280 5.951 33 HA ASN 659 HA ASN 659 3.513 -9.759 5.787 34 1HB ASN 659 2HB ASN 659 1.391 -11.101 6.756 35 2HB ASN 659 1HB ASN 659 1.626 -12.011 5.263 36 1HD2 ASN 659 1HD2 ASN 659 3.718 -10.642 7.879 37 2HD2 ASN 659 2HD2 ASN 659 4.713 -12.012 7.994 38 H THR 660 H THR 660 3.127 -8.446 3.423 39 HA THR 660 HA THR 660 3.621 -10.594 1.400 40 HB THR 660 HB THR 660 1.755 -8.213 1.179 41 HG1 THR 660 1HG THR 660 1.416 -11.017 1.280 42 1HG2 THR 660 1HG2 THR 660 2.941 -8.559 -0.931 43 2HG2 THR 660 2HG2 THR 660 1.273 -9.109 -1.090 44 3HG2 THR 660 3HG2 THR 660 2.571 -10.284 -0.878 45 H ALA 661 H ALA 661 4.638 -9.643 -0.612 46 HA ALA 661 HA ALA 661 6.430 -7.344 0.100 47 1HB ALA 661 1HB ALA 661 6.849 -10.020 -0.872 48 2HB ALA 661 2HB ALA 661 8.061 -8.809 -0.456 49 3HB ALA 661 3HB ALA 661 7.410 -8.879 -2.094 50 H TYR 662 H TYR 662 6.057 -5.516 -1.104 51 HA TYR 662 HA TYR 662 4.602 -5.821 -3.709 52 1HB TYR 662 2HB TYR 662 4.672 -3.756 -1.518 53 2HB TYR 662 1HB TYR 662 4.128 -3.310 -3.135 54 HD1 TYR 662 1HD TYR 662 2.766 -5.787 -4.016 55 HD2 TYR 662 2HD TYR 662 2.715 -3.791 -0.212 56 HE1 TYR 662 1HE TYR 662 0.537 -6.763 -3.531 57 HE2 TYR 662 2HE TYR 662 0.488 -4.766 0.271 58 HH TYR 662 HH TYR 662 -1.167 -6.837 -2.116 59 H THR 663 H THR 663 5.340 -4.542 -5.496 60 HA THR 663 HA THR 663 8.209 -3.751 -5.321 61 HB THR 663 HB THR 663 7.819 -3.735 -7.891 62 HG1 THR 663 1HG THR 663 5.674 -5.419 -7.339 63 1HG2 THR 663 1HG2 THR 663 8.724 -5.631 -6.241 64 2HG2 THR 663 2HG2 THR 663 8.484 -5.939 -7.960 65 3HG2 THR 663 3HG2 THR 663 7.266 -6.452 -6.794 66 H ALA 664 H ALA 664 8.855 -1.665 -6.188 67 HA ALA 664 HA ALA 664 7.394 0.585 -5.424 68 1HB ALA 664 1HB ALA 664 8.836 1.380 -7.666 69 2HB ALA 664 2HB ALA 664 9.661 -0.090 -7.147 70 3HB ALA 664 3HB ALA 664 9.473 1.258 -6.027 71 H GLY 665 H GLY 665 5.676 1.712 -6.294 72 1HA GLY 665 2HA GLY 665 4.092 2.430 -7.890 73 2HA GLY 665 1HA GLY 665 4.990 1.543 -9.123 74 H GLN 666 H GLN 666 3.749 0.158 -6.108 75 HA GLN 666 HA GLN 666 2.292 -1.873 -7.696 76 1HB GLN 666 2HB GLN 666 3.671 -1.714 -5.219 77 2HB GLN 666 1HB GLN 666 1.990 -2.088 -4.836 78 1HG GLN 666 2HG GLN 666 3.760 -3.598 -6.783 79 2HG GLN 666 1HG GLN 666 3.224 -4.169 -5.202 80 1HE2 GLN 666 1HE2 GLN 666 1.084 -5.020 -5.025 81 2HE2 GLN 666 2HE2 GLN 666 0.037 -5.174 -6.352 82 H LEU 667 H LEU 667 0.020 -2.456 -6.855 83 HA LEU 667 HA LEU 667 -1.488 0.021 -6.079 84 1HB LEU 667 2HB LEU 667 -1.568 -0.608 -8.521 85 2HB LEU 667 1HB LEU 667 -2.321 -2.132 -8.051 86 HG LEU 667 HG LEU 667 -3.937 -0.290 -8.730 87 1HD1 LEU 667 1HD1 LEU 667 -5.520 -1.159 -7.313 88 2HD1 LEU 667 2HD1 LEU 667 -4.519 -0.920 -5.881 89 3HD1 LEU 667 3HD1 LEU 667 -4.219 -2.292 -6.947 90 1HD2 LEU 667 1HD2 LEU 667 -4.043 1.678 -7.576 91 2HD2 LEU 667 2HD2 LEU 667 -2.375 1.293 -7.151 92 3HD2 LEU 667 3HD2 LEU 667 -3.683 0.905 -6.033 93 H VAL 668 H VAL 668 -2.433 -0.380 -4.111 94 HA VAL 668 HA VAL 668 -3.662 -3.076 -3.667 95 HB VAL 668 HB VAL 668 -2.657 -3.215 -1.529 96 1HG1 VAL 668 1HG1 VAL 668 -1.066 -3.281 -3.592 97 2HG1 VAL 668 2HG1 VAL 668 -0.354 -3.180 -1.982 98 3HG1 VAL 668 3HG1 VAL 668 -0.477 -1.734 -2.984 99 1HG2 VAL 668 1HG2 VAL 668 -2.032 -0.260 -1.834 100 2HG2 VAL 668 2HG2 VAL 668 -1.468 -1.262 -0.496 101 3HG2 VAL 668 3HG2 VAL 668 -3.195 -0.982 -0.720 102 H THR 669 H THR 669 -5.520 -3.009 -2.208 103 HA THR 669 HA THR 669 -6.553 -0.267 -1.590 104 HB THR 669 HB THR 669 -8.768 -1.089 -2.478 105 HG1 THR 669 1HG THR 669 -8.386 -2.939 -3.989 106 1HG2 THR 669 1HG2 THR 669 -6.318 -0.776 -4.175 107 2HG2 THR 669 2HG2 THR 669 -7.706 0.299 -4.009 108 3HG2 THR 669 3HG2 THR 669 -7.848 -1.188 -4.948 109 H TYR 670 H TYR 670 -7.410 -0.172 0.461 110 HA TYR 670 HA TYR 670 -7.586 -2.680 2.030 111 1HB TYR 670 2HB TYR 670 -7.663 0.284 2.643 112 2HB TYR 670 1HB TYR 670 -7.910 -0.944 3.884 113 HD1 TYR 670 1HD TYR 670 -5.516 0.218 1.276 114 HD2 TYR 670 2HD TYR 670 -6.072 -2.080 4.858 115 HE1 TYR 670 1HE TYR 670 -3.060 -0.069 1.471 116 HE2 TYR 670 2HE TYR 670 -3.618 -2.369 5.055 117 HH TYR 670 HH TYR 670 -1.418 -1.156 2.545 118 H ASN 671 H ASN 671 -9.526 -2.271 3.818 119 HA ASN 671 HA ASN 671 -11.926 -3.125 2.938 120 1HB ASN 671 2HB ASN 671 -11.040 -1.248 5.049 121 2HB ASN 671 1HB ASN 671 -12.771 -1.232 4.708 122 1HD2 ASN 671 1HD2 ASN 671 -13.715 -2.533 6.300 123 2HD2 ASN 671 2HD2 ASN 671 -13.177 -4.088 6.720 124 H GLY 672 H GLY 672 -10.867 0.264 2.607 125 1HA GLY 672 2HA GLY 672 -12.673 0.631 0.345 126 2HA GLY 672 1HA GLY 672 -13.167 1.540 1.774 127 H LYS 673 H LYS 673 -9.834 0.858 0.746 128 HA LYS 673 HA LYS 673 -9.501 3.786 0.181 129 1HB LYS 673 2HB LYS 673 -7.724 1.955 1.824 130 2HB LYS 673 1HB LYS 673 -7.390 3.650 1.473 131 1HG LYS 673 2HG LYS 673 -9.732 4.096 2.512 132 2HG LYS 673 1HG LYS 673 -9.561 2.480 3.201 133 1HD LYS 673 2HD LYS 673 -7.226 3.298 3.986 134 2HD LYS 673 1HD LYS 673 -7.858 4.917 3.684 135 1HE LYS 673 2HE LYS 673 -9.572 4.676 5.317 136 2HE LYS 673 1HE LYS 673 -9.358 2.915 5.391 137 1HZ LYS 673 1HZ LYS 673 -7.241 3.150 6.357 138 2HZ LYS 673 2HZ LYS 673 -8.234 4.232 7.211 139 3HZ LYS 673 3HZ LYS 673 -7.169 4.811 6.019 140 H THR 674 H THR 674 -7.570 4.242 -1.147 141 HA THR 674 HA THR 674 -6.664 1.895 -2.788 142 HB THR 674 HB THR 674 -7.391 4.727 -3.616 143 HG1 THR 674 1HG THR 674 -8.589 2.461 -4.681 144 1HG2 THR 674 1HG2 THR 674 -5.531 3.041 -4.801 145 2HG2 THR 674 2HG2 THR 674 -6.366 4.377 -5.595 146 3HG2 THR 674 3HG2 THR 674 -7.005 2.737 -5.722 147 H TYR 675 H TYR 675 -4.436 1.712 -2.787 148 HA TYR 675 HA TYR 675 -2.837 4.181 -2.214 149 1HB TYR 675 2HB TYR 675 -2.586 1.377 -1.109 150 2HB TYR 675 1HB TYR 675 -1.363 2.628 -0.878 151 HD1 TYR 675 1HD TYR 675 -4.594 1.366 0.168 152 HD2 TYR 675 2HD TYR 675 -1.995 4.780 0.280 153 HE1 TYR 675 1HE TYR 675 -5.912 2.308 2.045 154 HE2 TYR 675 2HE TYR 675 -3.312 5.724 2.156 155 HH TYR 675 HH TYR 675 -5.224 4.098 4.058 156 H LYS 676 H LYS 676 -0.511 3.907 -2.869 157 HA LYS 676 HA LYS 676 -0.134 2.009 -5.148 158 1HB LYS 676 2HB LYS 676 -0.570 4.861 -5.197 159 2HB LYS 676 1HB LYS 676 1.048 4.504 -5.802 160 1HG LYS 676 2HG LYS 676 0.018 4.057 -7.772 161 2HG LYS 676 1HG LYS 676 -0.475 2.545 -7.007 162 1HD LYS 676 2HD LYS 676 -2.635 3.200 -6.856 163 2HD LYS 676 1HD LYS 676 -2.192 4.809 -6.285 164 1HE LYS 676 2HE LYS 676 -3.110 5.326 -8.376 165 2HE LYS 676 1HE LYS 676 -1.405 5.108 -8.820 166 1HZ LYS 676 1HZ LYS 676 -2.468 3.664 -10.257 167 2HZ LYS 676 2HZ LYS 676 -3.652 3.222 -9.121 168 3HZ LYS 676 3HZ LYS 676 -2.065 2.634 -8.973 169 H CYS 677 H CYS 677 1.517 0.810 -4.144 170 HA CYS 677 HA CYS 677 3.494 1.706 -2.359 171 1HB CYS 677 2HB CYS 677 2.806 -0.612 -3.737 172 2HB CYS 677 1HB CYS 677 4.437 -0.263 -4.311 173 HG CYS 677 HG CYS 677 4.277 -1.660 -1.931 174 H LEU 678 H LEU 678 5.517 2.690 -2.621 175 HA LEU 678 HA LEU 678 6.119 3.762 -5.354 176 1HB LEU 678 2HB LEU 678 5.618 5.100 -3.072 177 2HB LEU 678 1HB LEU 678 7.353 4.855 -2.868 178 HG LEU 678 HG LEU 678 6.687 5.685 -5.583 179 1HD1 LEU 678 1HD1 LEU 678 5.305 7.006 -3.405 180 2HD1 LEU 678 2HD1 LEU 678 5.181 7.299 -5.139 181 3HD1 LEU 678 3HD1 LEU 678 6.424 8.118 -4.194 182 1HD2 LEU 678 1HD2 LEU 678 8.837 5.789 -3.863 183 2HD2 LEU 678 2HD2 LEU 678 8.268 7.457 -3.841 184 3HD2 LEU 678 3HD2 LEU 678 8.712 6.697 -5.368 185 H GLN 679 H GLN 679 7.418 1.997 -2.597 186 HA GLN 679 HA GLN 679 9.879 1.433 -4.210 187 1HB GLN 679 2HB GLN 679 9.504 2.473 -1.431 188 2HB GLN 679 1HB GLN 679 10.858 1.380 -1.720 189 1HG GLN 679 2HG GLN 679 11.404 2.896 -3.739 190 2HG GLN 679 1HG GLN 679 10.312 4.062 -2.991 191 1HE2 GLN 679 1HE2 GLN 679 11.093 5.248 -1.190 192 2HE2 GLN 679 2HE2 GLN 679 12.628 5.015 -0.505 193 HA PRO 680 HA PRO 680 8.925 -2.812 -3.479 194 1HB PRO 680 2HB PRO 680 11.690 -3.522 -3.120 195 2HB PRO 680 1HB PRO 680 10.694 -3.724 -4.564 196 1HG PRO 680 2HG PRO 680 12.822 -1.836 -4.132 197 2HG PRO 680 1HG PRO 680 11.851 -2.068 -5.588 198 1HD PRO 680 2HD PRO 680 11.750 0.139 -3.751 199 2HD PRO 680 1HD PRO 680 10.718 -0.133 -5.175 200 H HIS 681 H HIS 681 7.983 -2.886 -1.398 201 HA HIS 681 HA HIS 681 9.891 -3.328 0.868 202 1HB HIS 681 2HB HIS 681 7.448 -1.534 0.743 203 2HB HIS 681 1HB HIS 681 8.292 -1.935 2.239 204 HD1 HIS 681 1HD HIS 681 11.202 -1.847 1.003 205 HD2 HIS 681 2HD HIS 681 8.326 1.142 0.588 206 HE1 HIS 681 1HE HIS 681 12.461 0.292 0.498 207 H THR 682 H THR 682 8.072 -3.823 2.860 208 HA THR 682 HA THR 682 6.398 -6.073 1.788 209 HB THR 682 HB THR 682 8.093 -5.904 4.301 210 HG1 THR 682 1HG THR 682 8.618 -7.888 2.532 211 1HG2 THR 682 1HG2 THR 682 7.228 -7.916 4.980 212 2HG2 THR 682 2HG2 THR 682 6.937 -8.467 3.329 213 3HG2 THR 682 3HG2 THR 682 5.821 -7.332 4.090 214 H SER 683 H SER 683 4.272 -5.912 2.398 215 HA SER 683 HA SER 683 3.425 -3.800 4.253 216 1HB SER 683 2HB SER 683 2.358 -5.429 2.129 217 2HB SER 683 1HB SER 683 1.303 -5.550 3.533 218 HG SER 683 HG SER 683 1.301 -3.635 1.838 219 H LEU 684 H LEU 684 2.652 -4.138 6.360 220 HA LEU 684 HA LEU 684 2.286 -6.920 7.328 221 1HB LEU 684 2HB LEU 684 4.025 -6.782 8.918 222 2HB LEU 684 1HB LEU 684 4.728 -6.033 7.486 223 HG LEU 684 HG LEU 684 3.460 -4.570 9.821 224 1HD1 LEU 684 1HD1 LEU 684 5.612 -5.326 10.492 225 2HD1 LEU 684 2HD1 LEU 684 5.858 -3.660 9.967 226 3HD1 LEU 684 3HD1 LEU 684 6.309 -4.995 8.906 227 1HD2 LEU 684 1HD2 LEU 684 3.016 -3.223 7.937 228 2HD2 LEU 684 2HD2 LEU 684 4.527 -3.670 7.146 229 3HD2 LEU 684 3HD2 LEU 684 4.546 -2.583 8.536 230 H ALA 685 H ALA 685 1.688 -6.741 9.820 231 HA ALA 685 HA ALA 685 -0.716 -5.218 10.052 232 1HB ALA 685 1HB ALA 685 0.734 -7.205 11.442 233 2HB ALA 685 2HB ALA 685 -0.896 -6.637 11.801 234 3HB ALA 685 3HB ALA 685 0.491 -5.893 12.596 235 H GLY 686 H GLY 686 0.332 -3.083 9.335 236 1HA GLY 686 2HA GLY 686 0.495 -1.266 11.502 237 2HA GLY 686 1HA GLY 686 2.145 -1.655 11.012 238 H TRP 687 H TRP 687 1.651 -1.998 8.226 239 HA TRP 687 HA TRP 687 1.449 0.847 7.431 240 1HB TRP 687 2HB TRP 687 2.209 -1.744 6.049 241 2HB TRP 687 1HB TRP 687 2.201 -0.181 5.230 242 HD1 TRP 687 HD TRP 687 3.156 0.757 8.510 243 HE1 TRP 687 1HE TRP 687 5.715 0.852 8.820 244 HE3 TRP 687 3HE TRP 687 4.638 -1.884 4.402 245 HZ2 TRP 687 2HZ TRP 687 8.078 -0.071 7.496 246 HZ3 TRP 687 3HZ TRP 687 7.046 -2.261 3.949 247 HH2 TRP 687 HH TRP 687 8.766 -1.358 5.489 248 H GLU 688 H GLU 688 -1.017 -0.413 8.298 249 HA GLU 688 HA GLU 688 -2.501 -1.042 5.822 250 1HB GLU 688 2HB GLU 688 -3.967 -0.716 8.377 251 2HB GLU 688 1HB GLU 688 -4.011 -2.036 7.219 252 1HG GLU 688 2HG GLU 688 -1.684 -2.682 8.073 253 2HG GLU 688 1HG GLU 688 -1.977 -1.560 9.404 254 HA PRO 689 HA PRO 689 -4.721 3.000 7.214 255 1HB PRO 689 2HB PRO 689 -2.955 4.445 8.967 256 2HB PRO 689 1HB PRO 689 -4.545 3.773 9.344 257 1HG PRO 689 2HG PRO 689 -2.045 2.865 10.324 258 2HG PRO 689 1HG PRO 689 -3.614 2.081 10.530 259 1HD PRO 689 2HD PRO 689 -1.382 1.306 8.788 260 2HD PRO 689 1HD PRO 689 -2.825 0.368 9.242 261 H SER 690 H SER 690 -1.498 2.469 6.339 262 HA SER 690 HA SER 690 -0.074 3.564 4.808 263 1HB SER 690 2HB SER 690 -1.232 4.545 3.062 264 2HB SER 690 1HB SER 690 -2.582 3.751 3.870 265 HG SER 690 HG SER 690 -2.136 6.364 3.482 266 H ASN 691 H ASN 691 0.193 4.401 7.435 267 HA ASN 691 HA ASN 691 -0.035 7.326 7.612 268 1HB ASN 691 2HB ASN 691 1.012 6.897 9.832 269 2HB ASN 691 1HB ASN 691 -0.379 5.852 9.545 270 1HD2 ASN 691 1HD2 ASN 691 -0.025 3.603 9.605 271 2HD2 ASN 691 2HD2 ASN 691 1.508 2.884 9.726 272 H VAL 692 H VAL 692 1.895 5.704 5.682 273 HA VAL 692 HA VAL 692 4.243 7.482 6.204 274 HB VAL 692 HB VAL 692 5.706 5.557 5.752 275 1HG1 VAL 692 1HG1 VAL 692 5.529 4.697 7.872 276 2HG1 VAL 692 2HG1 VAL 692 3.803 4.374 7.707 277 3HG1 VAL 692 3HG1 VAL 692 4.364 6.009 8.053 278 1HG2 VAL 692 1HG2 VAL 692 4.193 3.296 5.860 279 2HG2 VAL 692 2HG2 VAL 692 4.725 4.037 4.350 280 3HG2 VAL 692 3HG2 VAL 692 3.106 4.363 4.970 281 HA PRO 693 HA PRO 693 2.619 7.828 1.857 282 1HB PRO 693 2HB PRO 693 3.693 10.497 1.926 283 2HB PRO 693 1HB PRO 693 1.998 10.007 1.890 284 1HG PRO 693 2HG PRO 693 3.470 11.117 4.097 285 2HG PRO 693 1HG PRO 693 1.767 10.654 4.046 286 1HD PRO 693 2HD PRO 693 3.900 9.327 5.442 287 2HD PRO 693 1HD PRO 693 2.196 8.821 5.330 288 H ALA 694 H ALA 694 5.675 8.299 3.448 289 HA ALA 694 HA ALA 694 7.487 8.992 1.469 290 1HB ALA 694 1HB ALA 694 8.903 8.285 3.092 291 2HB ALA 694 2HB ALA 694 8.347 6.620 2.926 292 3HB ALA 694 3HB ALA 694 7.483 7.737 3.981 293 H LEU 695 H LEU 695 5.784 5.905 1.834 294 HA LEU 695 HA LEU 695 6.741 5.150 -0.901 295 1HB LEU 695 2HB LEU 695 6.892 2.798 0.041 296 2HB LEU 695 1HB LEU 695 8.071 3.930 0.703 297 HG LEU 695 HG LEU 695 6.424 4.349 2.599 298 1HD1 LEU 695 1HD1 LEU 695 4.949 2.125 2.809 299 2HD1 LEU 695 2HD1 LEU 695 5.019 2.222 1.050 300 3HD1 LEU 695 3HD1 LEU 695 4.349 3.561 1.981 301 1HD2 LEU 695 1HD2 LEU 695 8.244 2.182 2.134 302 2HD2 LEU 695 2HD2 LEU 695 6.893 1.580 3.093 303 3HD2 LEU 695 3HD2 LEU 695 7.836 2.956 3.665 304 H TRP 696 H TRP 696 4.106 5.736 1.104 305 HA TRP 696 HA TRP 696 2.345 3.901 -0.486 306 1HB TRP 696 2HB TRP 696 2.387 4.885 2.343 307 2HB TRP 696 1HB TRP 696 0.821 4.535 1.611 308 HD1 TRP 696 HD TRP 696 2.772 2.869 3.865 309 HE1 TRP 696 1HE TRP 696 2.906 0.321 3.519 310 HE3 TRP 696 3HE TRP 696 1.195 2.550 -0.988 311 HZ2 TRP 696 2HZ TRP 696 2.411 -1.600 1.460 312 HZ3 TRP 696 3HZ TRP 696 1.036 0.348 -2.112 313 HH2 TRP 696 HH TRP 696 1.640 -1.725 -0.895 314 H GLN 697 H GLN 697 1.593 5.205 -2.165 315 HA GLN 697 HA GLN 697 0.698 7.984 -1.523 316 1HB GLN 697 2HB GLN 697 2.273 7.754 -3.354 317 2HB GLN 697 1HB GLN 697 1.299 6.479 -4.088 318 1HG GLN 697 2HG GLN 697 -0.592 8.308 -4.072 319 2HG GLN 697 1HG GLN 697 0.765 9.430 -3.961 320 1HE2 GLN 697 1HE2 GLN 697 1.100 10.218 -6.053 321 2HE2 GLN 697 2HE2 GLN 697 1.192 9.253 -7.447 322 H LEU 698 H LEU 698 -1.439 7.845 -0.797 323 HA LEU 698 HA LEU 698 -3.276 5.926 -2.104 324 1HB LEU 698 2HB LEU 698 -4.464 6.077 -0.129 325 2HB LEU 698 1HB LEU 698 -2.891 6.606 0.461 326 HG LEU 698 HG LEU 698 -3.800 8.987 -0.323 327 1HD1 LEU 698 1HD1 LEU 698 -5.947 8.848 -1.027 328 2HD1 LEU 698 2HD1 LEU 698 -6.366 8.601 0.669 329 3HD1 LEU 698 3HD1 LEU 698 -6.127 7.212 -0.391 330 1HD2 LEU 698 1HD2 LEU 698 -3.116 8.305 1.980 331 2HD2 LEU 698 2HD2 LEU 698 -4.727 7.632 2.231 332 3HD2 LEU 698 3HD2 LEU 698 -4.523 9.368 1.985 333 H GLN 699 H GLN 699 -5.606 6.886 -2.407 334 HA GLN 699 HA GLN 699 -5.678 9.684 -3.334 335 1HB GLN 699 2HB GLN 699 -6.197 8.981 -5.673 336 2HB GLN 699 1HB GLN 699 -4.573 8.501 -5.179 337 1HG GLN 699 2HG GLN 699 -5.447 6.242 -4.603 338 2HG GLN 699 1HG GLN 699 -7.035 6.730 -5.193 339 1HE2 GLN 699 1HE2 GLN 699 -7.267 5.619 -7.160 340 2HE2 GLN 699 2HE2 GLN 699 -6.124 5.646 -8.416 Start of MODEL 5 1 HA ALA 655 HA ALA 655 -6.838 -4.644 -2.667 2 1HB ALA 655 1HB ALA 655 -6.295 -7.035 -4.327 3 2HB ALA 655 2HB ALA 655 -7.765 -6.576 -3.466 4 3HB ALA 655 3HB ALA 655 -6.438 -7.346 -2.597 5 H TRP 656 H TRP 656 -5.834 -4.459 -0.694 6 HA TRP 656 HA TRP 656 -2.928 -4.915 -0.515 7 1HB TRP 656 2HB TRP 656 -3.991 -2.899 0.402 8 2HB TRP 656 1HB TRP 656 -5.020 -3.893 1.434 9 HD1 TRP 656 HD TRP 656 -1.433 -2.680 1.038 10 HE1 TRP 656 1HE TRP 656 -0.136 -3.176 3.210 11 HE3 TRP 656 3HE TRP 656 -4.910 -5.477 3.525 12 HZ2 TRP 656 2HZ TRP 656 -0.522 -4.573 5.677 13 HZ3 TRP 656 3HZ TRP 656 -4.419 -6.375 5.782 14 HH2 TRP 656 HH TRP 656 -2.232 -5.927 6.859 15 H GLN 657 H GLN 657 -1.973 -6.329 1.078 16 HA GLN 657 HA GLN 657 -3.751 -8.249 2.480 17 1HB GLN 657 2HB GLN 657 -1.708 -8.927 0.342 18 2HB GLN 657 1HB GLN 657 -2.423 -10.129 1.418 19 1HG GLN 657 2HG GLN 657 -4.691 -9.016 0.589 20 2HG GLN 657 1HG GLN 657 -3.696 -8.574 -0.798 21 1HE2 GLN 657 1HE2 GLN 657 -5.916 -10.627 -0.618 22 2HE2 GLN 657 2HE2 GLN 657 -5.211 -12.084 -1.129 23 H VAL 658 H VAL 658 -2.924 -8.162 4.538 24 HA VAL 658 HA VAL 658 -0.483 -7.133 5.393 25 HB VAL 658 HB VAL 658 -2.447 -7.829 6.774 26 1HG1 VAL 658 1HG1 VAL 658 -1.383 -10.544 6.020 27 2HG1 VAL 658 2HG1 VAL 658 -3.048 -9.961 5.981 28 3HG1 VAL 658 3HG1 VAL 658 -2.274 -10.320 7.525 29 1HG2 VAL 658 1HG2 VAL 658 -1.071 -7.784 8.565 30 2HG2 VAL 658 2HG2 VAL 658 0.275 -7.879 7.430 31 3HG2 VAL 658 3HG2 VAL 658 -0.378 -9.351 8.147 32 H ASN 659 H ASN 659 1.516 -8.146 6.029 33 HA ASN 659 HA ASN 659 3.404 -9.495 5.585 34 1HB ASN 659 2HB ASN 659 1.075 -11.104 6.259 35 2HB ASN 659 1HB ASN 659 2.202 -12.010 5.248 36 1HD2 ASN 659 1HD2 ASN 659 1.844 -12.700 7.995 37 2HD2 ASN 659 2HD2 ASN 659 3.272 -12.333 8.837 38 H THR 660 H THR 660 2.927 -8.203 3.316 39 HA THR 660 HA THR 660 3.179 -10.310 1.210 40 HB THR 660 HB THR 660 1.412 -7.842 1.151 41 HG1 THR 660 1HG THR 660 0.516 -10.443 0.718 42 1HG2 THR 660 1HG2 THR 660 1.816 -9.974 -0.964 43 2HG2 THR 660 2HG2 THR 660 2.522 -8.359 -1.029 44 3HG2 THR 660 3HG2 THR 660 0.769 -8.559 -1.083 45 H ALA 661 H ALA 661 4.780 -9.816 -0.287 46 HA ALA 661 HA ALA 661 6.413 -7.410 0.207 47 1HB ALA 661 1HB ALA 661 7.261 -9.777 -0.169 48 2HB ALA 661 2HB ALA 661 7.997 -8.560 -1.210 49 3HB ALA 661 3HB ALA 661 6.738 -9.618 -1.845 50 H TYR 662 H TYR 662 6.210 -5.564 -1.009 51 HA TYR 662 HA TYR 662 4.737 -5.758 -3.618 52 1HB TYR 662 2HB TYR 662 4.851 -3.596 -1.493 53 2HB TYR 662 1HB TYR 662 4.049 -3.398 -3.051 54 HD1 TYR 662 1HD TYR 662 3.022 -3.558 0.019 55 HD2 TYR 662 2HD TYR 662 2.931 -6.164 -3.394 56 HE1 TYR 662 1HE TYR 662 0.996 -4.668 0.920 57 HE2 TYR 662 2HE TYR 662 0.905 -7.274 -2.492 58 HH TYR 662 HH TYR 662 -0.138 -6.878 0.696 59 H THR 663 H THR 663 5.542 -4.457 -5.342 60 HA THR 663 HA THR 663 8.394 -3.621 -5.031 61 HB THR 663 HB THR 663 8.244 -3.744 -7.581 62 HG1 THR 663 1HG THR 663 6.113 -3.582 -7.967 63 1HG2 THR 663 1HG2 THR 663 7.538 -6.211 -5.967 64 2HG2 THR 663 2HG2 THR 663 9.163 -5.594 -6.267 65 3HG2 THR 663 3HG2 THR 663 8.200 -6.227 -7.602 66 H ALA 664 H ALA 664 9.027 -1.504 -5.733 67 HA ALA 664 HA ALA 664 7.361 0.679 -5.215 68 1HB ALA 664 1HB ALA 664 9.458 1.484 -5.495 69 2HB ALA 664 2HB ALA 664 9.115 1.516 -7.224 70 3HB ALA 664 3HB ALA 664 9.912 0.115 -6.509 71 H GLY 665 H GLY 665 5.603 1.513 -6.285 72 1HA GLY 665 2HA GLY 665 4.514 2.334 -8.294 73 2HA GLY 665 1HA GLY 665 5.421 1.148 -9.233 74 H GLN 666 H GLN 666 4.065 0.001 -6.286 75 HA GLN 666 HA GLN 666 2.212 -1.733 -7.806 76 1HB GLN 666 2HB GLN 666 3.727 -1.763 -5.347 77 2HB GLN 666 1HB GLN 666 2.038 -2.138 -5.007 78 1HG GLN 666 2HG GLN 666 3.632 -3.480 -7.205 79 2HG GLN 666 1HG GLN 666 3.459 -4.150 -5.582 80 1HE2 GLN 666 1HE2 GLN 666 1.729 -5.570 -5.365 81 2HE2 GLN 666 2HE2 GLN 666 0.328 -5.556 -6.323 82 H LEU 667 H LEU 667 0.034 -2.105 -6.411 83 HA LEU 667 HA LEU 667 -1.057 0.452 -5.375 84 1HB LEU 667 2HB LEU 667 -1.228 0.269 -7.942 85 2HB LEU 667 1HB LEU 667 -2.402 -1.016 -7.653 86 HG LEU 667 HG LEU 667 -2.611 1.789 -6.520 87 1HD1 LEU 667 1HD1 LEU 667 -3.537 0.546 -9.056 88 2HD1 LEU 667 2HD1 LEU 667 -3.175 2.234 -8.697 89 3HD1 LEU 667 3HD1 LEU 667 -4.717 1.539 -8.199 90 1HD2 LEU 667 1HD2 LEU 667 -5.022 0.935 -6.163 91 2HD2 LEU 667 2HD2 LEU 667 -3.779 0.308 -5.081 92 3HD2 LEU 667 3HD2 LEU 667 -4.355 -0.677 -6.425 93 H VAL 668 H VAL 668 -2.018 -0.212 -3.494 94 HA VAL 668 HA VAL 668 -3.456 -2.848 -3.494 95 HB VAL 668 HB VAL 668 -2.807 -3.008 -1.177 96 1HG1 VAL 668 1HG1 VAL 668 -0.329 -1.771 -2.301 97 2HG1 VAL 668 2HG1 VAL 668 -1.023 -3.149 -3.156 98 3HG1 VAL 668 3HG1 VAL 668 -0.534 -3.313 -1.469 99 1HG2 VAL 668 1HG2 VAL 668 -1.835 -0.148 -1.489 100 2HG2 VAL 668 2HG2 VAL 668 -1.607 -1.144 -0.052 101 3HG2 VAL 668 3HG2 VAL 668 -3.232 -0.669 -0.547 102 H THR 669 H THR 669 -5.381 -2.882 -2.003 103 HA THR 669 HA THR 669 -6.599 -0.189 -1.557 104 HB THR 669 HB THR 669 -8.659 -0.999 -2.639 105 HG1 THR 669 1HG THR 669 -8.053 -3.086 -3.914 106 1HG2 THR 669 1HG2 THR 669 -6.665 -1.743 -4.693 107 2HG2 THR 669 2HG2 THR 669 -6.386 -0.193 -3.899 108 3HG2 THR 669 3HG2 THR 669 -7.911 -0.495 -4.730 109 H TYR 670 H TYR 670 -7.379 -0.108 0.512 110 HA TYR 670 HA TYR 670 -7.639 -2.607 2.066 111 1HB TYR 670 2HB TYR 670 -7.896 0.345 2.723 112 2HB TYR 670 1HB TYR 670 -7.973 -0.948 3.922 113 HD1 TYR 670 1HD TYR 670 -5.810 0.901 1.605 114 HD2 TYR 670 2HD TYR 670 -5.992 -2.292 4.464 115 HE1 TYR 670 1HE TYR 670 -3.331 0.844 1.697 116 HE2 TYR 670 2HE TYR 670 -3.515 -2.353 4.561 117 HH TYR 670 HH TYR 670 -1.563 0.112 3.117 118 H ASN 671 H ASN 671 -9.651 -2.187 3.778 119 HA ASN 671 HA ASN 671 -11.998 -3.111 2.876 120 1HB ASN 671 2HB ASN 671 -11.189 -1.919 5.135 121 2HB ASN 671 1HB ASN 671 -12.230 -0.633 4.522 122 1HD2 ASN 671 1HD2 ASN 671 -12.420 -3.048 6.658 123 2HD2 ASN 671 2HD2 ASN 671 -14.013 -3.582 6.413 124 H GLY 672 H GLY 672 -11.004 0.275 2.378 125 1HA GLY 672 2HA GLY 672 -12.647 0.476 -0.005 126 2HA GLY 672 1HA GLY 672 -13.333 1.388 1.341 127 H LYS 673 H LYS 673 -9.914 0.874 0.459 128 HA LYS 673 HA LYS 673 -9.698 3.818 -0.061 129 1HB LYS 673 2HB LYS 673 -8.023 2.086 1.781 130 2HB LYS 673 1HB LYS 673 -7.626 3.751 1.357 131 1HG LYS 673 2HG LYS 673 -10.249 2.916 2.622 132 2HG LYS 673 1HG LYS 673 -8.869 3.529 3.534 133 1HD LYS 673 2HD LYS 673 -8.925 5.568 2.003 134 2HD LYS 673 1HD LYS 673 -10.488 4.981 1.434 135 1HE LYS 673 2HE LYS 673 -11.395 6.097 3.196 136 2HE LYS 673 1HE LYS 673 -10.676 4.847 4.230 137 1HZ LYS 673 1HZ LYS 673 -9.213 7.239 3.251 138 2HZ LYS 673 2HZ LYS 673 -8.658 6.090 4.372 139 3HZ LYS 673 3HZ LYS 673 -9.931 7.137 4.784 140 H THR 674 H THR 674 -7.921 4.386 -1.443 141 HA THR 674 HA THR 674 -6.785 2.081 -2.990 142 HB THR 674 HB THR 674 -7.549 4.931 -3.659 143 HG1 THR 674 1HG THR 674 -9.055 3.966 -4.834 144 1HG2 THR 674 1HG2 THR 674 -5.382 4.492 -4.711 145 2HG2 THR 674 2HG2 THR 674 -6.655 4.486 -5.932 146 3HG2 THR 674 3HG2 THR 674 -5.984 2.962 -5.352 147 H TYR 675 H TYR 675 -4.560 1.888 -3.027 148 HA TYR 675 HA TYR 675 -2.912 4.228 -2.159 149 1HB TYR 675 2HB TYR 675 -2.960 1.397 -1.111 150 2HB TYR 675 1HB TYR 675 -1.576 2.461 -0.856 151 HD1 TYR 675 1HD TYR 675 -4.987 1.683 0.114 152 HD2 TYR 675 2HD TYR 675 -1.883 4.636 0.364 153 HE1 TYR 675 1HE TYR 675 -6.174 2.771 1.995 154 HE2 TYR 675 2HE TYR 675 -3.071 5.727 2.247 155 HH TYR 675 HH TYR 675 -4.746 5.516 3.730 156 H LYS 676 H LYS 676 -0.669 4.082 -2.883 157 HA LYS 676 HA LYS 676 -0.202 2.113 -5.094 158 1HB LYS 676 2HB LYS 676 -0.584 4.981 -5.159 159 2HB LYS 676 1HB LYS 676 1.032 4.578 -5.740 160 1HG LYS 676 2HG LYS 676 0.156 3.902 -7.697 161 2HG LYS 676 1HG LYS 676 -0.786 2.677 -6.847 162 1HD LYS 676 2HD LYS 676 -2.661 4.072 -6.646 163 2HD LYS 676 1HD LYS 676 -1.712 5.540 -6.887 164 1HE LYS 676 2HE LYS 676 -1.747 3.557 -9.127 165 2HE LYS 676 1HE LYS 676 -3.203 4.538 -8.868 166 1HZ LYS 676 1HZ LYS 676 -0.507 5.383 -9.603 167 2HZ LYS 676 2HZ LYS 676 -1.354 6.386 -8.523 168 3HZ LYS 676 3HZ LYS 676 -2.006 6.038 -10.052 169 H CYS 677 H CYS 677 1.443 0.905 -4.126 170 HA CYS 677 HA CYS 677 3.382 1.869 -2.276 171 1HB CYS 677 2HB CYS 677 2.622 -0.523 -3.495 172 2HB CYS 677 1HB CYS 677 4.285 -0.289 -4.032 173 HG CYS 677 HG CYS 677 5.033 -0.178 -1.529 174 H LEU 678 H LEU 678 5.264 3.020 -2.593 175 HA LEU 678 HA LEU 678 6.116 3.520 -5.426 176 1HB LEU 678 2HB LEU 678 5.406 5.214 -3.264 177 2HB LEU 678 1HB LEU 678 7.145 5.396 -3.489 178 HG LEU 678 HG LEU 678 6.504 5.535 -6.041 179 1HD1 LEU 678 1HD1 LEU 678 4.120 4.984 -5.674 180 2HD1 LEU 678 2HD1 LEU 678 4.303 6.587 -6.385 181 3HD1 LEU 678 3HD1 LEU 678 3.948 6.420 -4.666 182 1HD2 LEU 678 1HD2 LEU 678 5.668 8.077 -5.102 183 2HD2 LEU 678 2HD2 LEU 678 7.292 7.601 -5.600 184 3HD2 LEU 678 3HD2 LEU 678 6.809 7.456 -3.910 185 H GLN 679 H GLN 679 6.968 1.705 -2.802 186 HA GLN 679 HA GLN 679 9.818 1.670 -3.644 187 1HB GLN 679 2HB GLN 679 8.678 2.512 -1.009 188 2HB GLN 679 1HB GLN 679 10.205 1.626 -1.005 189 1HG GLN 679 2HG GLN 679 10.799 3.363 -2.937 190 2HG GLN 679 1HG GLN 679 9.588 4.336 -2.102 191 1HE2 GLN 679 1HE2 GLN 679 10.054 5.014 0.112 192 2HE2 GLN 679 2HE2 GLN 679 11.619 4.900 0.760 193 HA PRO 680 HA PRO 680 9.048 -2.692 -3.231 194 1HB PRO 680 2HB PRO 680 11.851 -3.194 -2.821 195 2HB PRO 680 1HB PRO 680 10.913 -3.409 -4.303 196 1HG PRO 680 2HG PRO 680 12.880 -1.397 -3.743 197 2HG PRO 680 1HG PRO 680 11.934 -1.610 -5.220 198 1HD PRO 680 2HD PRO 680 11.656 0.457 -3.222 199 2HD PRO 680 1HD PRO 680 10.706 0.241 -4.711 200 H HIS 681 H HIS 681 8.053 -2.835 -1.158 201 HA HIS 681 HA HIS 681 9.923 -3.430 1.091 202 1HB HIS 681 2HB HIS 681 7.644 -1.433 1.034 203 2HB HIS 681 1HB HIS 681 8.388 -1.999 2.529 204 HD1 HIS 681 1HD HIS 681 11.346 -2.082 1.554 205 HD2 HIS 681 2HD HIS 681 8.764 1.132 0.930 206 HE1 HIS 681 1HE HIS 681 12.809 -0.048 1.186 207 H THR 682 H THR 682 8.379 -4.191 3.048 208 HA THR 682 HA THR 682 6.412 -6.117 1.856 209 HB THR 682 HB THR 682 8.107 -6.297 4.369 210 HG1 THR 682 1HG THR 682 8.950 -8.075 2.846 211 1HG2 THR 682 1HG2 THR 682 6.029 -7.595 4.516 212 2HG2 THR 682 2HG2 THR 682 7.411 -8.674 4.333 213 3HG2 THR 682 3HG2 THR 682 6.367 -8.336 2.953 214 H SER 683 H SER 683 4.317 -5.886 2.535 215 HA SER 683 HA SER 683 3.640 -3.844 4.533 216 1HB SER 683 2HB SER 683 1.917 -3.779 3.067 217 2HB SER 683 1HB SER 683 2.443 -5.284 2.322 218 HG SER 683 HG SER 683 1.299 -6.414 3.877 219 H LEU 684 H LEU 684 2.650 -4.270 6.553 220 HA LEU 684 HA LEU 684 2.130 -7.058 7.378 221 1HB LEU 684 2HB LEU 684 3.840 -7.128 9.019 222 2HB LEU 684 1HB LEU 684 4.632 -6.425 7.610 223 HG LEU 684 HG LEU 684 3.482 -4.892 9.961 224 1HD1 LEU 684 1HD1 LEU 684 6.054 -4.199 9.908 225 2HD1 LEU 684 2HD1 LEU 684 6.217 -5.783 9.149 226 3HD1 LEU 684 3HD1 LEU 684 5.515 -5.646 10.761 227 1HD2 LEU 684 1HD2 LEU 684 4.600 -4.063 7.293 228 2HD2 LEU 684 2HD2 LEU 684 4.796 -3.011 8.695 229 3HD2 LEU 684 3HD2 LEU 684 3.180 -3.447 8.139 230 H ALA 685 H ALA 685 1.606 -6.900 9.934 231 HA ALA 685 HA ALA 685 -0.730 -5.316 10.240 232 1HB ALA 685 1HB ALA 685 1.110 -6.310 12.435 233 2HB ALA 685 2HB ALA 685 0.052 -7.381 11.515 234 3HB ALA 685 3HB ALA 685 -0.640 -6.105 12.517 235 H GLY 686 H GLY 686 0.079 -3.163 9.492 236 1HA GLY 686 2HA GLY 686 0.387 -1.261 11.485 237 2HA GLY 686 1HA GLY 686 2.041 -1.732 11.088 238 H TRP 687 H TRP 687 1.836 -2.147 8.336 239 HA TRP 687 HA TRP 687 1.651 0.645 7.403 240 1HB TRP 687 2HB TRP 687 2.525 -1.989 6.185 241 2HB TRP 687 1HB TRP 687 2.567 -0.463 5.303 242 HD1 TRP 687 HD TRP 687 3.254 0.407 8.734 243 HE1 TRP 687 1HE TRP 687 5.784 0.624 9.185 244 HE3 TRP 687 3HE TRP 687 5.089 -1.874 4.554 245 HZ2 TRP 687 2HZ TRP 687 8.260 -0.077 7.932 246 HZ3 TRP 687 3HZ TRP 687 7.533 -2.085 4.205 247 HH2 TRP 687 HH TRP 687 9.120 -1.191 5.886 248 H GLU 688 H GLU 688 -0.856 -0.855 8.104 249 HA GLU 688 HA GLU 688 -2.144 -1.369 5.502 250 1HB GLU 688 2HB GLU 688 -3.761 -1.177 7.994 251 2HB GLU 688 1HB GLU 688 -3.767 -2.414 6.747 252 1HG GLU 688 2HG GLU 688 -1.462 -3.112 7.655 253 2HG GLU 688 1HG GLU 688 -1.850 -2.118 9.060 254 HA PRO 689 HA PRO 689 -4.533 2.586 6.930 255 1HB PRO 689 2HB PRO 689 -2.874 3.989 8.814 256 2HB PRO 689 1HB PRO 689 -4.468 3.281 9.090 257 1HG PRO 689 2HG PRO 689 -1.998 2.373 10.147 258 2HG PRO 689 1HG PRO 689 -3.564 1.567 10.265 259 1HD PRO 689 2HD PRO 689 -1.255 0.863 8.604 260 2HD PRO 689 1HD PRO 689 -2.715 -0.094 8.951 261 H SER 690 H SER 690 -1.280 2.138 6.131 262 HA SER 690 HA SER 690 0.090 3.286 4.580 263 1HB SER 690 2HB SER 690 -1.071 4.566 3.052 264 2HB SER 690 1HB SER 690 -2.456 3.857 3.877 265 HG SER 690 HG SER 690 -2.549 5.711 5.176 266 H ASN 691 H ASN 691 0.868 3.634 7.074 267 HA ASN 691 HA ASN 691 0.759 6.397 8.021 268 1HB ASN 691 2HB ASN 691 2.243 3.876 8.792 269 2HB ASN 691 1HB ASN 691 2.457 5.397 9.660 270 1HD2 ASN 691 1HD2 ASN 691 1.042 2.704 10.371 271 2HD2 ASN 691 2HD2 ASN 691 -0.471 3.205 10.953 272 H VAL 692 H VAL 692 2.454 5.046 5.490 273 HA VAL 692 HA VAL 692 4.666 7.043 5.827 274 HB VAL 692 HB VAL 692 6.075 5.250 4.650 275 1HG1 VAL 692 1HG1 VAL 692 6.233 5.751 7.075 276 2HG1 VAL 692 2HG1 VAL 692 6.486 4.036 6.745 277 3HG1 VAL 692 3HG1 VAL 692 4.939 4.593 7.386 278 1HG2 VAL 692 1HG2 VAL 692 5.201 2.917 4.971 279 2HG2 VAL 692 2HG2 VAL 692 4.271 3.856 3.803 280 3HG2 VAL 692 3HG2 VAL 692 3.646 3.609 5.434 281 HA PRO 693 HA PRO 693 2.373 7.835 1.897 282 1HB PRO 693 2HB PRO 693 3.497 10.479 2.048 283 2HB PRO 693 1HB PRO 693 1.814 9.995 2.281 284 1HG PRO 693 2HG PRO 693 3.697 10.859 4.278 285 2HG PRO 693 1HG PRO 693 2.005 10.402 4.499 286 1HD PRO 693 2HD PRO 693 4.339 8.931 5.313 287 2HD PRO 693 1HD PRO 693 2.634 8.441 5.478 288 H ALA 694 H ALA 694 5.690 8.665 2.877 289 HA ALA 694 HA ALA 694 6.945 9.281 0.482 290 1HB ALA 694 1HB ALA 694 8.856 7.858 1.539 291 2HB ALA 694 2HB ALA 694 7.711 7.574 2.850 292 3HB ALA 694 3HB ALA 694 8.226 9.217 2.468 293 H LEU 695 H LEU 695 5.575 6.196 1.443 294 HA LEU 695 HA LEU 695 6.359 5.079 -1.226 295 1HB LEU 695 2HB LEU 695 6.666 2.919 -0.075 296 2HB LEU 695 1HB LEU 695 7.699 4.153 0.645 297 HG LEU 695 HG LEU 695 5.636 4.522 2.245 298 1HD1 LEU 695 1HD1 LEU 695 5.136 1.863 0.947 299 2HD1 LEU 695 2HD1 LEU 695 3.979 3.111 1.413 300 3HD1 LEU 695 3HD1 LEU 695 4.713 2.083 2.644 301 1HD2 LEU 695 1HD2 LEU 695 7.224 1.980 2.619 302 2HD2 LEU 695 2HD2 LEU 695 6.714 3.143 3.843 303 3HD2 LEU 695 3HD2 LEU 695 7.996 3.563 2.707 304 H TRP 696 H TRP 696 3.838 6.043 0.731 305 HA TRP 696 HA TRP 696 1.961 4.052 -0.503 306 1HB TRP 696 2HB TRP 696 2.216 5.310 2.187 307 2HB TRP 696 1HB TRP 696 0.580 5.075 1.584 308 HD1 TRP 696 HD TRP 696 2.431 3.429 3.902 309 HE1 TRP 696 1HE TRP 696 2.274 0.860 3.818 310 HE3 TRP 696 3HE TRP 696 0.632 2.810 -0.844 311 HZ2 TRP 696 2HZ TRP 696 1.487 -1.188 1.983 312 HZ3 TRP 696 3HZ TRP 696 0.189 0.540 -1.729 313 HH2 TRP 696 HH TRP 696 0.612 -1.458 -0.323 314 H GLN 697 H GLN 697 1.384 5.290 -2.361 315 HA GLN 697 HA GLN 697 0.464 8.095 -1.923 316 1HB GLN 697 2HB GLN 697 2.084 7.543 -3.731 317 2HB GLN 697 1HB GLN 697 0.896 6.448 -4.441 318 1HG GLN 697 2HG GLN 697 0.395 8.330 -5.668 319 2HG GLN 697 1HG GLN 697 -0.633 8.648 -4.270 320 1HE2 GLN 697 1HE2 GLN 697 -0.407 10.783 -3.609 321 2HE2 GLN 697 2HE2 GLN 697 1.047 11.658 -3.612 322 H LEU 698 H LEU 698 -1.621 7.826 -1.026 323 HA LEU 698 HA LEU 698 -3.500 5.935 -2.293 324 1HB LEU 698 2HB LEU 698 -4.699 6.174 -0.308 325 2HB LEU 698 1HB LEU 698 -3.062 6.526 0.240 326 HG LEU 698 HG LEU 698 -3.691 9.004 -0.391 327 1HD1 LEU 698 1HD1 LEU 698 -6.209 7.543 -0.667 328 2HD1 LEU 698 2HD1 LEU 698 -5.808 9.185 -1.171 329 3HD1 LEU 698 3HD1 LEU 698 -6.333 8.874 0.483 330 1HD2 LEU 698 1HD2 LEU 698 -5.187 8.226 2.032 331 2HD2 LEU 698 2HD2 LEU 698 -3.809 9.315 1.863 332 3HD2 LEU 698 3HD2 LEU 698 -3.550 7.573 1.953 333 H GLN 699 H GLN 699 -5.828 6.863 -2.532 334 HA GLN 699 HA GLN 699 -5.988 9.663 -3.426 335 1HB GLN 699 2HB GLN 699 -6.492 9.022 -5.769 336 2HB GLN 699 1HB GLN 699 -4.871 8.505 -5.302 337 1HG GLN 699 2HG GLN 699 -5.389 6.318 -5.543 338 2HG GLN 699 1HG GLN 699 -6.912 6.504 -4.674 339 1HE2 GLN 699 1HE2 GLN 699 -5.829 5.532 -7.609 340 2HE2 GLN 699 2HE2 GLN 699 -7.113 6.041 -8.594 Start of MODEL 6 1 HA ALA 655 HA ALA 655 -7.491 -5.119 -2.219 2 1HB ALA 655 1HB ALA 655 -8.724 -7.066 -2.398 3 2HB ALA 655 2HB ALA 655 -7.502 -7.629 -1.258 4 3HB ALA 655 3HB ALA 655 -7.346 -8.005 -2.974 5 H TRP 656 H TRP 656 -6.063 -4.256 -0.760 6 HA TRP 656 HA TRP 656 -3.298 -4.809 -0.594 7 1HB TRP 656 2HB TRP 656 -4.424 -2.824 0.322 8 2HB TRP 656 1HB TRP 656 -5.252 -3.828 1.514 9 HD1 TRP 656 HD TRP 656 -1.689 -2.755 0.511 10 HE1 TRP 656 1HE TRP 656 -0.187 -2.877 2.602 11 HE3 TRP 656 3HE TRP 656 -4.995 -4.745 3.855 12 HZ2 TRP 656 2HZ TRP 656 -0.365 -3.709 5.335 13 HZ3 TRP 656 3HZ TRP 656 -4.303 -5.192 6.192 14 HH2 TRP 656 HH TRP 656 -1.995 -4.677 6.937 15 H GLN 657 H GLN 657 -2.128 -6.407 0.435 16 HA GLN 657 HA GLN 657 -3.637 -8.314 2.196 17 1HB GLN 657 2HB GLN 657 -1.508 -8.733 0.081 18 2HB GLN 657 1HB GLN 657 -1.986 -9.996 1.217 19 1HG GLN 657 2HG GLN 657 -3.979 -10.356 0.173 20 2HG GLN 657 1HG GLN 657 -4.229 -8.639 -0.150 21 1HE2 GLN 657 1HE2 GLN 657 -4.086 -11.323 -1.883 22 2HE2 GLN 657 2HE2 GLN 657 -3.179 -10.820 -3.226 23 H VAL 658 H VAL 658 -2.686 -8.709 4.180 24 HA VAL 658 HA VAL 658 -0.380 -7.128 5.003 25 HB VAL 658 HB VAL 658 -2.348 -7.676 6.421 26 1HG1 VAL 658 1HG1 VAL 658 -1.777 -10.309 5.461 27 2HG1 VAL 658 2HG1 VAL 658 -3.127 -9.787 6.470 28 3HG1 VAL 658 3HG1 VAL 658 -1.622 -10.322 7.218 29 1HG2 VAL 658 1HG2 VAL 658 0.108 -7.329 7.276 30 2HG2 VAL 658 2HG2 VAL 658 0.025 -9.049 7.662 31 3HG2 VAL 658 3HG2 VAL 658 -1.115 -7.923 8.399 32 H ASN 659 H ASN 659 1.615 -8.080 5.871 33 HA ASN 659 HA ASN 659 3.503 -9.490 5.664 34 1HB ASN 659 2HB ASN 659 2.068 -10.910 7.023 35 2HB ASN 659 1HB ASN 659 1.184 -11.447 5.595 36 1HD2 ASN 659 1HD2 ASN 659 1.907 -13.686 6.329 37 2HD2 ASN 659 2HD2 ASN 659 3.455 -14.217 5.881 38 H THR 660 H THR 660 3.136 -8.281 3.300 39 HA THR 660 HA THR 660 3.509 -10.481 1.304 40 HB THR 660 HB THR 660 1.864 -7.953 0.954 41 HG1 THR 660 1HG THR 660 0.392 -9.119 1.861 42 1HG2 THR 660 1HG2 THR 660 1.176 -9.041 -1.170 43 2HG2 THR 660 2HG2 THR 660 2.318 -10.346 -0.848 44 3HG2 THR 660 3HG2 THR 660 2.907 -8.708 -1.126 45 H ALA 661 H ALA 661 4.549 -9.553 -0.746 46 HA ALA 661 HA ALA 661 6.532 -7.438 0.021 47 1HB ALA 661 1HB ALA 661 7.564 -8.744 -2.151 48 2HB ALA 661 2HB ALA 661 6.598 -10.025 -1.419 49 3HB ALA 661 3HB ALA 661 7.863 -9.230 -0.482 50 H TYR 662 H TYR 662 6.009 -5.504 -0.924 51 HA TYR 662 HA TYR 662 4.697 -5.535 -3.617 52 1HB TYR 662 2HB TYR 662 4.753 -3.620 -1.277 53 2HB TYR 662 1HB TYR 662 4.160 -3.122 -2.862 54 HD1 TYR 662 1HD TYR 662 2.945 -3.983 0.151 55 HD2 TYR 662 2HD TYR 662 2.723 -5.375 -3.906 56 HE1 TYR 662 1HE TYR 662 0.754 -5.041 0.634 57 HE2 TYR 662 2HE TYR 662 0.532 -6.433 -3.424 58 HH TYR 662 HH TYR 662 -0.813 -7.156 -1.669 59 H THR 663 H THR 663 5.508 -4.006 -5.212 60 HA THR 663 HA THR 663 8.415 -3.437 -4.882 61 HB THR 663 HB THR 663 7.586 -2.860 -7.494 62 HG1 THR 663 1HG THR 663 6.342 -5.246 -6.632 63 1HG2 THR 663 1HG2 THR 663 9.541 -4.254 -6.463 64 2HG2 THR 663 2HG2 THR 663 8.934 -4.685 -8.062 65 3HG2 THR 663 3HG2 THR 663 8.435 -5.616 -6.650 66 H ALA 664 H ALA 664 8.759 -1.362 -6.647 67 HA ALA 664 HA ALA 664 7.600 0.909 -5.147 68 1HB ALA 664 1HB ALA 664 9.657 1.711 -5.602 69 2HB ALA 664 2HB ALA 664 9.304 1.657 -7.329 70 3HB ALA 664 3HB ALA 664 10.009 0.252 -6.528 71 H GLY 665 H GLY 665 5.432 0.048 -6.321 72 1HA GLY 665 2HA GLY 665 4.319 1.978 -7.888 73 2HA GLY 665 1HA GLY 665 5.163 1.000 -9.089 74 H GLN 666 H GLN 666 3.612 -0.224 -6.147 75 HA GLN 666 HA GLN 666 2.021 -2.084 -7.814 76 1HB GLN 666 2HB GLN 666 3.236 -2.006 -5.212 77 2HB GLN 666 1HB GLN 666 1.514 -2.339 -5.020 78 1HG GLN 666 2HG GLN 666 3.141 -3.806 -7.088 79 2HG GLN 666 1HG GLN 666 3.111 -4.352 -5.413 80 1HE2 GLN 666 1HE2 GLN 666 1.899 -5.639 -7.877 81 2HE2 GLN 666 2HE2 GLN 666 0.255 -5.832 -7.506 82 H LEU 667 H LEU 667 -0.295 -2.473 -6.633 83 HA LEU 667 HA LEU 667 -1.574 0.154 -6.036 84 1HB LEU 667 2HB LEU 667 -2.172 -1.762 -8.298 85 2HB LEU 667 1HB LEU 667 -3.371 -0.600 -7.731 86 HG LEU 667 HG LEU 667 -0.573 0.235 -8.504 87 1HD1 LEU 667 1HD1 LEU 667 -2.759 -0.637 -10.216 88 2HD1 LEU 667 2HD1 LEU 667 -1.103 -0.214 -10.650 89 3HD1 LEU 667 3HD1 LEU 667 -2.331 1.045 -10.523 90 1HD2 LEU 667 1HD2 LEU 667 -3.221 1.693 -8.238 91 2HD2 LEU 667 2HD2 LEU 667 -1.714 2.434 -8.775 92 3HD2 LEU 667 3HD2 LEU 667 -1.853 1.810 -7.131 93 H VAL 668 H VAL 668 -1.930 -0.651 -3.881 94 HA VAL 668 HA VAL 668 -3.580 -3.122 -3.611 95 HB VAL 668 HB VAL 668 -2.812 -3.112 -1.354 96 1HG1 VAL 668 1HG1 VAL 668 -1.068 -3.384 -3.277 97 2HG1 VAL 668 2HG1 VAL 668 -0.480 -3.186 -1.625 98 3HG1 VAL 668 3HG1 VAL 668 -0.472 -1.815 -2.735 99 1HG2 VAL 668 1HG2 VAL 668 -2.277 -0.184 -1.879 100 2HG2 VAL 668 2HG2 VAL 668 -1.503 -1.025 -0.537 101 3HG2 VAL 668 3HG2 VAL 668 -3.262 -0.909 -0.608 102 H THR 669 H THR 669 -5.377 -2.944 -1.919 103 HA THR 669 HA THR 669 -6.598 -0.222 -1.808 104 HB THR 669 HB THR 669 -8.772 -1.375 -2.478 105 HG1 THR 669 1HG THR 669 -7.142 -3.365 -3.581 106 1HG2 THR 669 1HG2 THR 669 -7.890 -1.678 -4.942 107 2HG2 THR 669 2HG2 THR 669 -6.394 -1.029 -4.271 108 3HG2 THR 669 3HG2 THR 669 -7.878 -0.081 -4.194 109 H TYR 670 H TYR 670 -6.937 0.121 0.373 110 HA TYR 670 HA TYR 670 -7.204 -2.176 2.201 111 1HB TYR 670 2HB TYR 670 -7.252 0.835 2.566 112 2HB TYR 670 1HB TYR 670 -7.249 -0.326 3.894 113 HD1 TYR 670 1HD TYR 670 -5.312 0.942 1.001 114 HD2 TYR 670 2HD TYR 670 -5.256 -1.505 4.526 115 HE1 TYR 670 1HE TYR 670 -2.844 0.758 0.831 116 HE2 TYR 670 2HE TYR 670 -2.790 -1.695 4.354 117 HH TYR 670 HH TYR 670 -0.904 0.259 2.735 118 H ASN 671 H ASN 671 -9.236 -3.126 1.766 119 HA ASN 671 HA ASN 671 -11.581 -3.365 1.928 120 1HB ASN 671 2HB ASN 671 -10.762 -1.203 3.821 121 2HB ASN 671 1HB ASN 671 -12.489 -1.396 3.514 122 1HD2 ASN 671 1HD2 ASN 671 -9.681 -3.616 4.064 123 2HD2 ASN 671 2HD2 ASN 671 -10.508 -4.618 5.157 124 H GLY 672 H GLY 672 -11.597 0.163 2.222 125 1HA GLY 672 2HA GLY 672 -12.768 0.309 -0.528 126 2HA GLY 672 1HA GLY 672 -13.461 1.211 0.821 127 H LYS 673 H LYS 673 -9.994 0.777 0.360 128 HA LYS 673 HA LYS 673 -9.800 3.697 -0.308 129 1HB LYS 673 2HB LYS 673 -7.817 2.103 1.327 130 2HB LYS 673 1HB LYS 673 -7.997 3.854 1.232 131 1HG LYS 673 2HG LYS 673 -10.510 2.817 2.050 132 2HG LYS 673 1HG LYS 673 -9.280 2.033 3.041 133 1HD LYS 673 2HD LYS 673 -8.302 4.479 3.224 134 2HD LYS 673 1HD LYS 673 -9.954 4.946 2.816 135 1HE LYS 673 2HE LYS 673 -10.601 3.214 4.704 136 2HE LYS 673 1HE LYS 673 -8.944 3.519 5.260 137 1HZ LYS 673 1HZ LYS 673 -10.101 5.240 6.245 138 2HZ LYS 673 2HZ LYS 673 -11.170 5.425 4.938 139 3HZ LYS 673 3HZ LYS 673 -9.566 5.972 4.814 140 H THR 674 H THR 674 -8.148 4.257 -1.798 141 HA THR 674 HA THR 674 -7.006 1.954 -3.332 142 HB THR 674 HB THR 674 -7.483 4.870 -4.034 143 HG1 THR 674 1HG THR 674 -8.802 2.560 -4.989 144 1HG2 THR 674 1HG2 THR 674 -5.675 4.091 -5.381 145 2HG2 THR 674 2HG2 THR 674 -7.116 3.956 -6.389 146 3HG2 THR 674 3HG2 THR 674 -6.440 2.520 -5.622 147 H TYR 675 H TYR 675 -4.854 1.588 -2.984 148 HA TYR 675 HA TYR 675 -3.101 3.937 -2.352 149 1HB TYR 675 2HB TYR 675 -3.453 1.257 -1.051 150 2HB TYR 675 1HB TYR 675 -1.874 2.038 -0.990 151 HD1 TYR 675 1HD TYR 675 -1.464 3.903 0.429 152 HD2 TYR 675 2HD TYR 675 -5.470 2.474 -0.157 153 HE1 TYR 675 1HE TYR 675 -2.254 5.354 2.274 154 HE2 TYR 675 2HE TYR 675 -6.257 3.924 1.688 155 HH TYR 675 HH TYR 675 -5.700 5.611 3.068 156 H LYS 676 H LYS 676 -0.830 3.583 -2.972 157 HA LYS 676 HA LYS 676 -0.372 1.373 -4.919 158 1HB LYS 676 2HB LYS 676 0.114 2.847 -6.663 159 2HB LYS 676 1HB LYS 676 -1.185 3.711 -5.844 160 1HG LYS 676 2HG LYS 676 0.607 4.928 -4.520 161 2HG LYS 676 1HG LYS 676 1.792 4.215 -5.613 162 1HD LYS 676 2HD LYS 676 -0.367 5.321 -7.155 163 2HD LYS 676 1HD LYS 676 0.233 6.547 -6.038 164 1HE LYS 676 2HE LYS 676 2.357 6.576 -6.995 165 2HE LYS 676 1HE LYS 676 2.224 4.908 -7.586 166 1HZ LYS 676 1HZ LYS 676 1.896 6.840 -9.249 167 2HZ LYS 676 2HZ LYS 676 0.356 6.978 -8.544 168 3HZ LYS 676 3HZ LYS 676 0.823 5.528 -9.297 169 H CYS 677 H CYS 677 1.636 0.485 -4.612 170 HA CYS 677 HA CYS 677 3.370 1.498 -2.506 171 1HB CYS 677 2HB CYS 677 2.816 -0.922 -3.603 172 2HB CYS 677 1HB CYS 677 4.319 -0.545 -4.445 173 HG CYS 677 HG CYS 677 5.218 -0.028 -1.853 174 H LEU 678 H LEU 678 5.234 2.724 -2.750 175 HA LEU 678 HA LEU 678 6.030 3.437 -5.557 176 1HB LEU 678 2HB LEU 678 5.371 4.948 -3.154 177 2HB LEU 678 1HB LEU 678 6.964 5.387 -3.771 178 HG LEU 678 HG LEU 678 5.283 6.797 -4.836 179 1HD1 LEU 678 1HD1 LEU 678 6.524 6.659 -6.705 180 2HD1 LEU 678 2HD1 LEU 678 5.620 5.230 -7.204 181 3HD1 LEU 678 3HD1 LEU 678 7.073 5.055 -6.220 182 1HD2 LEU 678 1HD2 LEU 678 3.250 6.030 -5.456 183 2HD2 LEU 678 2HD2 LEU 678 3.676 4.522 -4.647 184 3HD2 LEU 678 3HD2 LEU 678 3.958 4.704 -6.379 185 H GLN 679 H GLN 679 6.999 1.773 -2.793 186 HA GLN 679 HA GLN 679 9.840 1.833 -3.699 187 1HB GLN 679 2HB GLN 679 8.976 3.335 -1.607 188 2HB GLN 679 1HB GLN 679 9.342 1.825 -0.771 189 1HG GLN 679 2HG GLN 679 11.606 1.901 -1.343 190 2HG GLN 679 1HG GLN 679 11.322 2.960 -2.726 191 1HE2 GLN 679 1HE2 GLN 679 12.868 4.569 -1.932 192 2HE2 GLN 679 2HE2 GLN 679 12.510 5.545 -0.590 193 HA PRO 680 HA PRO 680 9.396 -2.553 -3.251 194 1HB PRO 680 2HB PRO 680 12.181 -2.862 -2.598 195 2HB PRO 680 1HB PRO 680 11.390 -3.142 -4.152 196 1HG PRO 680 2HG PRO 680 13.160 -1.000 -3.442 197 2HG PRO 680 1HG PRO 680 12.362 -1.280 -4.991 198 1HD PRO 680 2HD PRO 680 11.775 0.767 -3.043 199 2HD PRO 680 1HD PRO 680 10.970 0.482 -4.606 200 H HIS 681 H HIS 681 8.250 -2.833 -1.286 201 HA HIS 681 HA HIS 681 9.940 -3.271 1.130 202 1HB HIS 681 2HB HIS 681 7.603 -1.382 0.793 203 2HB HIS 681 1HB HIS 681 8.096 -1.968 2.382 204 HD1 HIS 681 1HD HIS 681 11.213 -1.987 1.662 205 HD2 HIS 681 2HD HIS 681 8.617 1.239 1.192 206 HE1 HIS 681 1HE HIS 681 12.654 0.094 1.652 207 H THR 682 H THR 682 8.013 -3.902 2.944 208 HA THR 682 HA THR 682 6.315 -5.985 1.611 209 HB THR 682 HB THR 682 8.120 -6.175 4.043 210 HG1 THR 682 1HG THR 682 8.166 -7.977 1.937 211 1HG2 THR 682 1HG2 THR 682 6.743 -8.597 3.073 212 2HG2 THR 682 2HG2 THR 682 5.686 -7.406 3.831 213 3HG2 THR 682 3HG2 THR 682 7.057 -8.064 4.724 214 H SER 683 H SER 683 4.199 -5.789 2.231 215 HA SER 683 HA SER 683 3.354 -3.845 4.203 216 1HB SER 683 2HB SER 683 2.031 -6.035 2.590 217 2HB SER 683 1HB SER 683 1.115 -5.010 3.693 218 HG SER 683 HG SER 683 2.008 -3.205 2.518 219 H LEU 684 H LEU 684 2.504 -4.243 6.301 220 HA LEU 684 HA LEU 684 2.440 -7.030 7.304 221 1HB LEU 684 2HB LEU 684 4.183 -6.746 8.839 222 2HB LEU 684 1HB LEU 684 4.779 -5.832 7.457 223 HG LEU 684 HG LEU 684 3.342 -4.677 9.868 224 1HD1 LEU 684 1HD1 LEU 684 5.402 -3.984 10.654 225 2HD1 LEU 684 2HD1 LEU 684 6.120 -3.940 9.043 226 3HD1 LEU 684 3HD1 LEU 684 5.884 -5.485 9.862 227 1HD2 LEU 684 1HD2 LEU 684 4.033 -2.491 8.777 228 2HD2 LEU 684 2HD2 LEU 684 2.767 -3.375 7.927 229 3HD2 LEU 684 3HD2 LEU 684 4.426 -3.422 7.331 230 H ALA 685 H ALA 685 1.715 -6.947 9.731 231 HA ALA 685 HA ALA 685 -0.781 -5.560 9.903 232 1HB ALA 685 1HB ALA 685 -0.751 -7.389 11.281 233 2HB ALA 685 2HB ALA 685 -0.163 -6.230 12.472 234 3HB ALA 685 3HB ALA 685 0.979 -7.246 11.590 235 H GLY 686 H GLY 686 0.252 -3.346 9.314 236 1HA GLY 686 2HA GLY 686 0.177 -1.618 11.559 237 2HA GLY 686 1HA GLY 686 1.874 -1.932 11.192 238 H TRP 687 H TRP 687 1.381 -2.219 8.304 239 HA TRP 687 HA TRP 687 1.405 0.657 7.627 240 1HB TRP 687 2HB TRP 687 2.083 -1.959 6.308 241 2HB TRP 687 1HB TRP 687 1.897 -0.511 5.318 242 HD1 TRP 687 HD TRP 687 3.068 0.768 8.443 243 HE1 TRP 687 1HE TRP 687 5.624 1.091 8.479 244 HE3 TRP 687 3HE TRP 687 4.359 -2.009 4.361 245 HZ2 TRP 687 2HZ TRP 687 7.914 0.280 6.971 246 HZ3 TRP 687 3HZ TRP 687 6.733 -2.216 3.682 247 HH2 TRP 687 HH TRP 687 8.511 -1.077 4.981 248 H GLU 688 H GLU 688 -1.184 -0.386 8.448 249 HA GLU 688 HA GLU 688 -2.694 -0.763 5.938 250 1HB GLU 688 2HB GLU 688 -4.127 -0.400 8.514 251 2HB GLU 688 1HB GLU 688 -4.328 -1.634 7.280 252 1HG GLU 688 2HG GLU 688 -2.094 -2.601 8.064 253 2HG GLU 688 1HG GLU 688 -2.234 -1.530 9.459 254 HA PRO 689 HA PRO 689 -4.501 3.436 7.448 255 1HB PRO 689 2HB PRO 689 -2.665 4.614 9.318 256 2HB PRO 689 1HB PRO 689 -4.321 4.075 9.619 257 1HG PRO 689 2HG PRO 689 -1.948 2.895 10.618 258 2HG PRO 689 1HG PRO 689 -3.588 2.249 10.742 259 1HD PRO 689 2HD PRO 689 -1.378 1.363 9.015 260 2HD PRO 689 1HD PRO 689 -2.905 0.532 9.397 261 H SER 690 H SER 690 -1.366 2.612 6.552 262 HA SER 690 HA SER 690 0.120 3.611 5.010 263 1HB SER 690 2HB SER 690 -0.865 5.081 3.531 264 2HB SER 690 1HB SER 690 -2.323 4.496 4.323 265 HG SER 690 HG SER 690 -1.931 6.880 4.142 266 H ASN 691 H ASN 691 1.042 3.804 7.436 267 HA ASN 691 HA ASN 691 1.254 6.522 8.487 268 1HB ASN 691 2HB ASN 691 2.860 4.027 9.117 269 2HB ASN 691 1HB ASN 691 2.613 5.421 10.168 270 1HD2 ASN 691 1HD2 ASN 691 1.394 2.329 9.402 271 2HD2 ASN 691 2HD2 ASN 691 -0.109 2.465 10.177 272 H VAL 692 H VAL 692 2.628 5.136 5.807 273 HA VAL 692 HA VAL 692 5.041 6.900 6.023 274 HB VAL 692 HB VAL 692 6.277 5.042 4.862 275 1HG1 VAL 692 1HG1 VAL 692 6.633 5.122 7.199 276 2HG1 VAL 692 2HG1 VAL 692 6.147 3.452 6.907 277 3HG1 VAL 692 3HG1 VAL 692 4.984 4.610 7.555 278 1HG2 VAL 692 1HG2 VAL 692 4.554 2.884 5.556 279 2HG2 VAL 692 2HG2 VAL 692 5.071 3.377 3.943 280 3HG2 VAL 692 3HG2 VAL 692 3.597 4.046 4.640 281 HA PRO 693 HA PRO 693 2.445 7.721 2.223 282 1HB PRO 693 2HB PRO 693 3.334 10.443 2.491 283 2HB PRO 693 1HB PRO 693 1.706 9.801 2.726 284 1HG PRO 693 2HG PRO 693 3.549 10.727 4.730 285 2HG PRO 693 1HG PRO 693 1.906 10.122 4.956 286 1HD PRO 693 2HD PRO 693 4.364 8.816 5.667 287 2HD PRO 693 1HD PRO 693 2.711 8.174 5.823 288 H ALA 694 H ALA 694 5.728 8.514 3.216 289 HA ALA 694 HA ALA 694 6.869 9.495 0.851 290 1HB ALA 694 1HB ALA 694 7.668 8.242 3.317 291 2HB ALA 694 2HB ALA 694 8.597 9.340 2.296 292 3HB ALA 694 3HB ALA 694 8.651 7.601 2.000 293 H LEU 695 H LEU 695 5.702 6.268 1.556 294 HA LEU 695 HA LEU 695 6.579 5.418 -1.184 295 1HB LEU 695 2HB LEU 695 6.884 3.154 -0.178 296 2HB LEU 695 1HB LEU 695 7.939 4.361 0.554 297 HG LEU 695 HG LEU 695 6.120 4.651 2.337 298 1HD1 LEU 695 1HD1 LEU 695 4.928 2.598 0.629 299 2HD1 LEU 695 2HD1 LEU 695 4.178 3.585 1.883 300 3HD1 LEU 695 3HD1 LEU 695 5.017 2.097 2.319 301 1HD2 LEU 695 1HD2 LEU 695 8.282 2.920 2.128 302 2HD2 LEU 695 2HD2 LEU 695 6.969 1.867 2.659 303 3HD2 LEU 695 3HD2 LEU 695 7.402 3.287 3.612 304 H TRP 696 H TRP 696 4.006 5.688 1.117 305 HA TRP 696 HA TRP 696 2.272 3.864 -0.483 306 1HB TRP 696 2HB TRP 696 2.425 4.842 2.313 307 2HB TRP 696 1HB TRP 696 0.797 4.634 1.672 308 HD1 TRP 696 HD TRP 696 2.588 2.777 3.837 309 HE1 TRP 696 1HE TRP 696 2.555 0.236 3.446 310 HE3 TRP 696 3HE TRP 696 1.050 2.657 -1.040 311 HZ2 TRP 696 2HZ TRP 696 1.957 -1.610 1.340 312 HZ3 TRP 696 3HZ TRP 696 0.761 0.495 -2.206 313 HH2 TRP 696 HH TRP 696 1.209 -1.639 -1.024 314 H GLN 697 H GLN 697 1.778 5.269 -2.256 315 HA GLN 697 HA GLN 697 0.553 7.910 -1.613 316 1HB GLN 697 2HB GLN 697 2.396 7.604 -3.315 317 2HB GLN 697 1HB GLN 697 1.269 6.650 -4.278 318 1HG GLN 697 2HG GLN 697 0.604 8.598 -5.205 319 2HG GLN 697 1HG GLN 697 -0.179 8.945 -3.662 320 1HE2 GLN 697 1HE2 GLN 697 0.284 11.228 -3.662 321 2HE2 GLN 697 2HE2 GLN 697 1.862 11.836 -3.534 322 H LEU 698 H LEU 698 -1.637 7.775 -1.262 323 HA LEU 698 HA LEU 698 -3.206 5.733 -2.774 324 1HB LEU 698 2HB LEU 698 -4.715 5.855 -0.943 325 2HB LEU 698 1HB LEU 698 -3.127 6.012 -0.197 326 HG LEU 698 HG LEU 698 -3.749 8.625 -0.835 327 1HD1 LEU 698 1HD1 LEU 698 -5.977 8.944 -0.897 328 2HD1 LEU 698 2HD1 LEU 698 -6.195 8.023 0.591 329 3HD1 LEU 698 3HD1 LEU 698 -6.173 7.193 -0.965 330 1HD2 LEU 698 1HD2 LEU 698 -3.635 8.943 1.457 331 2HD2 LEU 698 2HD2 LEU 698 -2.945 7.324 1.349 332 3HD2 LEU 698 3HD2 LEU 698 -4.635 7.533 1.807 333 H GLN 699 H GLN 699 -5.688 6.802 -2.791 334 HA GLN 699 HA GLN 699 -5.675 9.580 -3.761 335 1HB GLN 699 2HB GLN 699 -6.445 8.869 -6.043 336 2HB GLN 699 1HB GLN 699 -4.791 8.368 -5.688 337 1HG GLN 699 2HG GLN 699 -5.526 6.118 -5.152 338 2HG GLN 699 1HG GLN 699 -7.219 6.594 -5.299 339 1HE2 GLN 699 1HE2 GLN 699 -4.195 6.563 -7.276 340 2HE2 GLN 699 2HE2 GLN 699 -4.984 6.222 -8.740 Start of MODEL 7 1 HA ALA 655 HA ALA 655 -7.223 -4.948 -2.179 2 1HB ALA 655 1HB ALA 655 -7.273 -7.614 -1.365 3 2HB ALA 655 2HB ALA 655 -7.547 -7.704 -3.106 4 3HB ALA 655 3HB ALA 655 -8.618 -6.735 -2.094 5 H TRP 656 H TRP 656 -5.689 -4.208 -0.762 6 HA TRP 656 HA TRP 656 -3.001 -5.142 -0.593 7 1HB TRP 656 2HB TRP 656 -3.931 -2.928 0.137 8 2HB TRP 656 1HB TRP 656 -4.689 -3.742 1.505 9 HD1 TRP 656 HD TRP 656 -1.212 -3.006 0.038 10 HE1 TRP 656 1HE TRP 656 0.514 -3.087 1.951 11 HE3 TRP 656 3HE TRP 656 -4.213 -4.557 3.866 12 HZ2 TRP 656 2HZ TRP 656 0.609 -3.724 4.740 13 HZ3 TRP 656 3HZ TRP 656 -3.282 -4.891 6.138 14 HH2 TRP 656 HH TRP 656 -0.878 -4.477 6.580 15 H GLN 657 H GLN 657 -2.005 -6.603 0.854 16 HA GLN 657 HA GLN 657 -3.789 -8.101 2.734 17 1HB GLN 657 2HB GLN 657 -2.001 -9.125 0.521 18 2HB GLN 657 1HB GLN 657 -2.489 -10.159 1.864 19 1HG GLN 657 2HG GLN 657 -4.632 -8.613 0.480 20 2HG GLN 657 1HG GLN 657 -3.942 -9.992 -0.378 21 1HE2 GLN 657 1HE2 GLN 657 -5.464 -11.652 -0.081 22 2HE2 GLN 657 2HE2 GLN 657 -6.077 -12.131 1.428 23 H VAL 658 H VAL 658 -2.812 -8.404 4.711 24 HA VAL 658 HA VAL 658 -0.331 -7.184 5.399 25 HB VAL 658 HB VAL 658 -0.652 -8.596 7.484 26 1HG1 VAL 658 1HG1 VAL 658 -2.410 -7.264 8.219 27 2HG1 VAL 658 2HG1 VAL 658 -3.311 -7.441 6.713 28 3HG1 VAL 658 3HG1 VAL 658 -1.909 -6.373 6.782 29 1HG2 VAL 658 1HG2 VAL 658 -2.284 -10.069 5.602 30 2HG2 VAL 658 2HG2 VAL 658 -3.263 -9.546 6.973 31 3HG2 VAL 658 3HG2 VAL 658 -1.812 -10.515 7.242 32 H ASN 659 H ASN 659 1.718 -8.190 5.928 33 HA ASN 659 HA ASN 659 3.517 -9.667 5.516 34 1HB ASN 659 2HB ASN 659 1.072 -11.407 5.787 35 2HB ASN 659 1HB ASN 659 2.641 -12.132 5.436 36 1HD2 ASN 659 1HD2 ASN 659 4.470 -11.028 6.981 37 2HD2 ASN 659 2HD2 ASN 659 4.038 -10.980 8.621 38 H THR 660 H THR 660 2.910 -8.331 3.246 39 HA THR 660 HA THR 660 3.107 -10.452 1.144 40 HB THR 660 HB THR 660 1.351 -7.976 1.081 41 HG1 THR 660 1HG THR 660 -0.255 -9.774 0.936 42 1HG2 THR 660 1HG2 THR 660 1.236 -10.244 -0.880 43 2HG2 THR 660 2HG2 THR 660 2.449 -8.980 -1.088 44 3HG2 THR 660 3HG2 THR 660 0.734 -8.566 -1.087 45 H ALA 661 H ALA 661 4.921 -10.061 -0.052 46 HA ALA 661 HA ALA 661 6.467 -7.627 0.220 47 1HB ALA 661 1HB ALA 661 8.031 -8.829 -1.031 48 2HB ALA 661 2HB ALA 661 6.791 -9.604 -2.017 49 3HB ALA 661 3HB ALA 661 7.062 -10.140 -0.359 50 H TYR 662 H TYR 662 6.287 -5.774 -0.984 51 HA TYR 662 HA TYR 662 4.685 -5.898 -3.521 52 1HB TYR 662 2HB TYR 662 4.800 -3.935 -1.230 53 2HB TYR 662 1HB TYR 662 4.197 -3.439 -2.812 54 HD1 TYR 662 1HD TYR 662 2.909 -4.107 0.160 55 HD2 TYR 662 2HD TYR 662 2.821 -5.846 -3.765 56 HE1 TYR 662 1HE TYR 662 0.716 -5.146 0.669 57 HE2 TYR 662 2HE TYR 662 0.627 -6.884 -3.257 58 HH TYR 662 HH TYR 662 -1.009 -7.089 -1.773 59 H THR 663 H THR 663 5.306 -4.089 -5.062 60 HA THR 663 HA THR 663 8.262 -3.601 -4.916 61 HB THR 663 HB THR 663 7.145 -3.172 -7.523 62 HG1 THR 663 1HG THR 663 5.764 -4.727 -7.725 63 1HG2 THR 663 1HG2 THR 663 9.415 -3.893 -7.177 64 2HG2 THR 663 2HG2 THR 663 8.576 -5.194 -8.023 65 3HG2 THR 663 3HG2 THR 663 8.883 -5.322 -6.291 66 H ALA 664 H ALA 664 8.510 -1.613 -6.788 67 HA ALA 664 HA ALA 664 7.406 0.719 -5.361 68 1HB ALA 664 1HB ALA 664 9.598 0.031 -7.189 69 2HB ALA 664 2HB ALA 664 9.529 1.279 -5.945 70 3HB ALA 664 3HB ALA 664 8.865 1.594 -7.548 71 H GLY 665 H GLY 665 5.600 1.800 -6.049 72 1HA GLY 665 2HA GLY 665 4.062 2.749 -7.583 73 2HA GLY 665 1HA GLY 665 4.956 1.988 -8.900 74 H GLN 666 H GLN 666 3.617 0.363 -6.042 75 HA GLN 666 HA GLN 666 2.210 -1.539 -7.814 76 1HB GLN 666 2HB GLN 666 3.353 -1.439 -5.163 77 2HB GLN 666 1HB GLN 666 1.687 -2.012 -5.066 78 1HG GLN 666 2HG GLN 666 3.654 -3.123 -7.076 79 2HG GLN 666 1HG GLN 666 3.479 -3.805 -5.459 80 1HE2 GLN 666 1HE2 GLN 666 2.054 -5.539 -5.434 81 2HE2 GLN 666 2HE2 GLN 666 0.691 -5.703 -6.433 82 H LEU 667 H LEU 667 -0.113 -2.155 -6.976 83 HA LEU 667 HA LEU 667 -1.612 0.329 -6.218 84 1HB LEU 667 2HB LEU 667 -1.833 -1.498 -8.573 85 2HB LEU 667 1HB LEU 667 -3.324 -0.821 -7.920 86 HG LEU 667 HG LEU 667 -1.177 1.162 -8.168 87 1HD1 LEU 667 1HD1 LEU 667 -1.636 -0.678 -10.360 88 2HD1 LEU 667 2HD1 LEU 667 -0.479 0.649 -10.250 89 3HD1 LEU 667 3HD1 LEU 667 -2.121 0.956 -10.815 90 1HD2 LEU 667 1HD2 LEU 667 -3.214 2.151 -9.573 91 2HD2 LEU 667 2HD2 LEU 667 -3.270 2.096 -7.811 92 3HD2 LEU 667 3HD2 LEU 667 -4.098 0.860 -8.758 93 H VAL 668 H VAL 668 -1.842 -0.575 -4.056 94 HA VAL 668 HA VAL 668 -3.367 -3.129 -3.842 95 HB VAL 668 HB VAL 668 -2.580 -3.129 -1.582 96 1HG1 VAL 668 1HG1 VAL 668 -0.366 -1.752 -3.120 97 2HG1 VAL 668 2HG1 VAL 668 -0.841 -3.423 -3.426 98 3HG1 VAL 668 3HG1 VAL 668 -0.203 -2.961 -1.847 99 1HG2 VAL 668 1HG2 VAL 668 -2.033 -0.185 -2.061 100 2HG2 VAL 668 2HG2 VAL 668 -1.420 -1.062 -0.659 101 3HG2 VAL 668 3HG2 VAL 668 -3.158 -0.892 -0.901 102 H THR 669 H THR 669 -5.188 -3.071 -2.151 103 HA THR 669 HA THR 669 -6.500 -0.389 -1.979 104 HB THR 669 HB THR 669 -8.638 -1.826 -2.575 105 HG1 THR 669 1HG THR 669 -8.213 -3.610 -3.718 106 1HG2 THR 669 1HG2 THR 669 -7.803 -1.531 -5.111 107 2HG2 THR 669 2HG2 THR 669 -6.562 -0.575 -4.302 108 3HG2 THR 669 3HG2 THR 669 -8.265 -0.157 -4.107 109 H TYR 670 H TYR 670 -6.757 -0.114 0.212 110 HA TYR 670 HA TYR 670 -7.036 -2.427 2.009 111 1HB TYR 670 2HB TYR 670 -7.088 0.584 2.404 112 2HB TYR 670 1HB TYR 670 -7.058 -0.594 3.717 113 HD1 TYR 670 1HD TYR 670 -5.164 0.642 0.756 114 HD2 TYR 670 2HD TYR 670 -5.037 -1.670 4.372 115 HE1 TYR 670 1HE TYR 670 -2.699 0.473 0.560 116 HE2 TYR 670 2HE TYR 670 -2.573 -1.841 4.174 117 HH TYR 670 HH TYR 670 -0.843 -0.369 1.425 118 H ASN 671 H ASN 671 -8.853 -1.287 3.895 119 HA ASN 671 HA ASN 671 -11.345 -2.273 3.153 120 1HB ASN 671 2HB ASN 671 -10.375 -0.114 5.000 121 2HB ASN 671 1HB ASN 671 -12.113 -0.347 4.808 122 1HD2 ASN 671 1HD2 ASN 671 -13.026 -2.437 5.488 123 2HD2 ASN 671 2HD2 ASN 671 -12.159 -3.472 6.516 124 H GLY 672 H GLY 672 -11.884 -1.727 0.965 125 1HA GLY 672 2HA GLY 672 -12.689 -0.372 -0.781 126 2HA GLY 672 1HA GLY 672 -13.512 0.509 0.508 127 H LYS 673 H LYS 673 -10.037 0.286 0.529 128 HA LYS 673 HA LYS 673 -9.904 3.215 -0.077 129 1HB LYS 673 2HB LYS 673 -8.800 1.425 1.921 130 2HB LYS 673 1HB LYS 673 -7.509 2.291 1.088 131 1HG LYS 673 2HG LYS 673 -9.905 3.499 2.496 132 2HG LYS 673 1HG LYS 673 -8.210 3.649 2.960 133 1HD LYS 673 2HD LYS 673 -7.969 5.427 1.606 134 2HD LYS 673 1HD LYS 673 -8.494 4.466 0.222 135 1HE LYS 673 2HE LYS 673 -10.889 4.881 0.959 136 2HE LYS 673 1HE LYS 673 -10.244 6.051 2.128 137 1HZ LYS 673 1HZ LYS 673 -9.592 7.462 0.509 138 2HZ LYS 673 2HZ LYS 673 -10.813 6.694 -0.387 139 3HZ LYS 673 3HZ LYS 673 -9.193 6.222 -0.577 140 H THR 674 H THR 674 -8.473 3.938 -1.661 141 HA THR 674 HA THR 674 -7.251 1.846 -3.405 142 HB THR 674 HB THR 674 -7.519 4.800 -3.974 143 HG1 THR 674 1HG THR 674 -9.600 4.588 -4.280 144 1HG2 THR 674 1HG2 THR 674 -7.566 2.286 -5.664 145 2HG2 THR 674 2HG2 THR 674 -6.273 3.482 -5.591 146 3HG2 THR 674 3HG2 THR 674 -7.833 3.912 -6.292 147 H TYR 675 H TYR 675 -5.088 1.490 -2.976 148 HA TYR 675 HA TYR 675 -3.421 3.870 -2.238 149 1HB TYR 675 2HB TYR 675 -3.764 1.167 -1.008 150 2HB TYR 675 1HB TYR 675 -2.173 1.926 -0.918 151 HD1 TYR 675 1HD TYR 675 -5.739 2.268 0.004 152 HD2 TYR 675 2HD TYR 675 -1.790 3.904 0.408 153 HE1 TYR 675 1HE TYR 675 -6.534 3.725 1.840 154 HE2 TYR 675 2HE TYR 675 -2.584 5.364 2.240 155 HH TYR 675 HH TYR 675 -4.343 5.532 3.830 156 H LYS 676 H LYS 676 -1.165 3.694 -2.851 157 HA LYS 676 HA LYS 676 -0.498 1.563 -4.830 158 1HB LYS 676 2HB LYS 676 -1.100 3.148 -6.380 159 2HB LYS 676 1HB LYS 676 -0.937 4.471 -5.230 160 1HG LYS 676 2HG LYS 676 1.600 3.151 -6.026 161 2HG LYS 676 1HG LYS 676 0.782 4.065 -7.292 162 1HD LYS 676 2HD LYS 676 0.539 5.837 -5.287 163 2HD LYS 676 1HD LYS 676 2.016 5.030 -4.759 164 1HE LYS 676 2HE LYS 676 2.726 6.843 -6.178 165 2HE LYS 676 1HE LYS 676 2.873 5.377 -7.168 166 1HZ LYS 676 1HZ LYS 676 1.542 6.506 -8.572 167 2HZ LYS 676 2HZ LYS 676 0.962 7.555 -7.366 168 3HZ LYS 676 3HZ LYS 676 0.302 5.997 -7.533 169 H CYS 677 H CYS 677 1.519 0.771 -4.334 170 HA CYS 677 HA CYS 677 3.164 2.044 -2.284 171 1HB CYS 677 2HB CYS 677 2.723 -0.493 -3.159 172 2HB CYS 677 1HB CYS 677 4.241 -0.138 -3.983 173 HG CYS 677 HG CYS 677 5.026 0.656 -1.423 174 H LEU 678 H LEU 678 5.456 2.634 -2.656 175 HA LEU 678 HA LEU 678 5.954 3.602 -5.457 176 1HB LEU 678 2HB LEU 678 5.756 4.951 -2.901 177 2HB LEU 678 1HB LEU 678 7.355 5.203 -3.601 178 HG LEU 678 HG LEU 678 4.851 5.538 -5.250 179 1HD1 LEU 678 1HD1 LEU 678 4.639 7.779 -4.614 180 2HD1 LEU 678 2HD1 LEU 678 6.277 7.853 -3.967 181 3HD1 LEU 678 3HD1 LEU 678 5.015 7.000 -3.077 182 1HD2 LEU 678 1HD2 LEU 678 6.500 5.734 -6.800 183 2HD2 LEU 678 2HD2 LEU 678 7.749 5.920 -5.568 184 3HD2 LEU 678 3HD2 LEU 678 6.799 7.316 -6.078 185 H GLN 679 H GLN 679 7.308 2.163 -2.527 186 HA GLN 679 HA GLN 679 9.845 1.659 -4.049 187 1HB GLN 679 2HB GLN 679 9.358 2.336 -1.134 188 2HB GLN 679 1HB GLN 679 10.918 1.803 -1.760 189 1HG GLN 679 2HG GLN 679 9.407 4.194 -2.845 190 2HG GLN 679 1HG GLN 679 10.672 4.309 -1.620 191 1HE2 GLN 679 1HE2 GLN 679 10.058 3.839 -5.036 192 2HE2 GLN 679 2HE2 GLN 679 11.684 3.746 -5.515 193 HA PRO 680 HA PRO 680 9.055 -2.639 -3.345 194 1HB PRO 680 2HB PRO 680 11.862 -3.217 -3.089 195 2HB PRO 680 1HB PRO 680 10.826 -3.456 -4.500 196 1HG PRO 680 2HG PRO 680 12.888 -1.500 -4.153 197 2HG PRO 680 1HG PRO 680 11.829 -1.718 -5.548 198 1HD PRO 680 2HD PRO 680 11.774 0.407 -3.588 199 2HD PRO 680 1HD PRO 680 10.726 0.200 -5.013 200 H HIS 681 H HIS 681 8.318 -3.239 -1.317 201 HA HIS 681 HA HIS 681 10.282 -3.582 0.865 202 1HB HIS 681 2HB HIS 681 7.896 -1.710 1.014 203 2HB HIS 681 1HB HIS 681 8.893 -2.167 2.395 204 HD1 HIS 681 1HD HIS 681 11.669 -1.841 1.646 205 HD2 HIS 681 2HD HIS 681 8.786 0.702 0.034 206 HE1 HIS 681 1HE HIS 681 12.903 0.210 0.822 207 H THR 682 H THR 682 8.277 -3.860 2.912 208 HA THR 682 HA THR 682 6.622 -6.129 1.858 209 HB THR 682 HB THR 682 8.412 -5.948 4.296 210 HG1 THR 682 1HG THR 682 8.292 -7.666 2.045 211 1HG2 THR 682 1HG2 THR 682 6.021 -7.591 3.775 212 2HG2 THR 682 2HG2 THR 682 6.825 -7.227 5.301 213 3HG2 THR 682 3HG2 THR 682 7.446 -8.509 4.261 214 H SER 683 H SER 683 4.491 -5.894 2.422 215 HA SER 683 HA SER 683 3.698 -3.764 4.296 216 1HB SER 683 2HB SER 683 1.441 -5.155 3.494 217 2HB SER 683 1HB SER 683 2.131 -3.776 2.647 218 HG SER 683 HG SER 683 2.705 -6.527 2.222 219 H LEU 684 H LEU 684 2.887 -4.133 6.370 220 HA LEU 684 HA LEU 684 2.385 -6.952 7.205 221 1HB LEU 684 2HB LEU 684 4.008 -6.869 8.893 222 2HB LEU 684 1HB LEU 684 4.791 -5.966 7.599 223 HG LEU 684 HG LEU 684 3.307 -4.809 9.976 224 1HD1 LEU 684 1HD1 LEU 684 5.829 -3.693 9.820 225 2HD1 LEU 684 2HD1 LEU 684 6.116 -5.360 9.323 226 3HD1 LEU 684 3HD1 LEU 684 5.371 -5.020 10.885 227 1HD2 LEU 684 1HD2 LEU 684 4.458 -3.518 7.491 228 2HD2 LEU 684 2HD2 LEU 684 4.130 -2.612 8.970 229 3HD2 LEU 684 3HD2 LEU 684 2.810 -3.397 8.104 230 H ALA 685 H ALA 685 1.661 -6.780 9.707 231 HA ALA 685 HA ALA 685 -0.830 -5.366 9.751 232 1HB ALA 685 1HB ALA 685 0.232 -7.431 11.077 233 2HB ALA 685 2HB ALA 685 -1.081 -6.479 11.768 234 3HB ALA 685 3HB ALA 685 0.584 -6.173 12.262 235 H GLY 686 H GLY 686 0.157 -3.175 9.126 236 1HA GLY 686 2HA GLY 686 0.074 -1.370 11.291 237 2HA GLY 686 1HA GLY 686 1.779 -1.712 10.984 238 H TRP 687 H TRP 687 1.376 -2.107 8.096 239 HA TRP 687 HA TRP 687 1.469 0.733 7.308 240 1HB TRP 687 2HB TRP 687 1.940 -1.941 5.977 241 2HB TRP 687 1HB TRP 687 1.994 -0.432 5.067 242 HD1 TRP 687 HD TRP 687 3.150 0.301 8.436 243 HE1 TRP 687 1HE TRP 687 5.724 0.366 8.554 244 HE3 TRP 687 3HE TRP 687 4.293 -1.890 3.966 245 HZ2 TRP 687 2HZ TRP 687 7.971 -0.408 6.961 246 HZ3 TRP 687 3HZ TRP 687 6.656 -2.212 3.293 247 HH2 TRP 687 HH TRP 687 8.495 -1.476 4.783 248 H GLU 688 H GLU 688 -1.165 -0.470 8.142 249 HA GLU 688 HA GLU 688 -2.668 -0.666 5.614 250 1HB GLU 688 2HB GLU 688 -4.044 -0.497 8.257 251 2HB GLU 688 1HB GLU 688 -4.338 -1.581 6.907 252 1HG GLU 688 2HG GLU 688 -2.070 -2.655 7.490 253 2HG GLU 688 1HG GLU 688 -2.193 -1.786 9.020 254 HA PRO 689 HA PRO 689 -4.487 3.418 7.418 255 1HB PRO 689 2HB PRO 689 -2.584 4.507 9.277 256 2HB PRO 689 1HB PRO 689 -4.229 3.955 9.607 257 1HG PRO 689 2HG PRO 689 -1.828 2.724 10.465 258 2HG PRO 689 1HG PRO 689 -3.462 2.072 10.608 259 1HD PRO 689 2HD PRO 689 -1.314 1.274 8.769 260 2HD PRO 689 1HD PRO 689 -2.831 0.429 9.154 261 H SER 690 H SER 690 -1.412 2.662 6.303 262 HA SER 690 HA SER 690 0.070 3.782 4.854 263 1HB SER 690 2HB SER 690 -0.998 5.200 3.371 264 2HB SER 690 1HB SER 690 -2.403 4.443 4.113 265 HG SER 690 HG SER 690 -2.108 6.295 5.702 266 H ASN 691 H ASN 691 0.793 4.096 7.416 267 HA ASN 691 HA ASN 691 0.848 6.886 8.293 268 1HB ASN 691 2HB ASN 691 2.624 4.661 9.287 269 2HB ASN 691 1HB ASN 691 1.901 5.982 10.202 270 1HD2 ASN 691 1HD2 ASN 691 1.625 2.709 9.752 271 2HD2 ASN 691 2HD2 ASN 691 -0.023 2.508 10.105 272 H VAL 692 H VAL 692 2.433 5.429 5.799 273 HA VAL 692 HA VAL 692 4.782 7.256 6.107 274 HB VAL 692 HB VAL 692 6.151 5.345 5.154 275 1HG1 VAL 692 1HG1 VAL 692 6.693 5.112 7.325 276 2HG1 VAL 692 2HG1 VAL 692 5.339 3.999 7.518 277 3HG1 VAL 692 3HG1 VAL 692 5.110 5.724 7.809 278 1HG2 VAL 692 1HG2 VAL 692 3.548 3.887 5.697 279 2HG2 VAL 692 2HG2 VAL 692 5.094 3.067 5.476 280 3HG2 VAL 692 3HG2 VAL 692 4.401 4.012 4.159 281 HA PRO 693 HA PRO 693 2.617 7.806 2.033 282 1HB PRO 693 2HB PRO 693 3.601 10.507 2.142 283 2HB PRO 693 1HB PRO 693 1.932 9.952 2.291 284 1HG PRO 693 2HG PRO 693 3.636 10.993 4.356 285 2HG PRO 693 1HG PRO 693 1.961 10.451 4.498 286 1HD PRO 693 2HD PRO 693 4.324 9.147 5.503 287 2HD PRO 693 1HD PRO 693 2.638 8.580 5.611 288 H ALA 694 H ALA 694 5.823 8.258 3.275 289 HA ALA 694 HA ALA 694 7.300 9.145 1.053 290 1HB ALA 694 1HB ALA 694 8.331 8.816 3.189 291 2HB ALA 694 2HB ALA 694 9.090 7.641 2.115 292 3HB ALA 694 3HB ALA 694 7.836 7.124 3.243 293 H LEU 695 H LEU 695 5.986 5.923 1.741 294 HA LEU 695 HA LEU 695 6.747 5.101 -1.043 295 1HB LEU 695 2HB LEU 695 6.900 2.776 0.048 296 2HB LEU 695 1HB LEU 695 8.177 3.919 0.459 297 HG LEU 695 HG LEU 695 6.911 4.529 2.526 298 1HD1 LEU 695 1HD1 LEU 695 5.188 2.520 3.047 299 2HD1 LEU 695 2HD1 LEU 695 4.986 2.617 1.298 300 3HD1 LEU 695 3HD1 LEU 695 4.677 4.034 2.302 301 1HD2 LEU 695 1HD2 LEU 695 8.523 2.350 2.062 302 2HD2 LEU 695 2HD2 LEU 695 7.106 1.600 2.800 303 3HD2 LEU 695 3HD2 LEU 695 7.978 2.871 3.657 304 H TRP 696 H TRP 696 4.243 5.717 1.106 305 HA TRP 696 HA TRP 696 2.412 3.809 -0.305 306 1HB TRP 696 2HB TRP 696 2.748 4.765 2.484 307 2HB TRP 696 1HB TRP 696 1.080 4.606 1.934 308 HD1 TRP 696 HD TRP 696 3.113 2.656 3.893 309 HE1 TRP 696 1HE TRP 696 2.909 0.123 3.464 310 HE3 TRP 696 3HE TRP 696 0.912 2.718 -0.715 311 HZ2 TRP 696 2HZ TRP 696 1.940 -1.644 1.432 312 HZ3 TRP 696 3HZ TRP 696 0.359 0.599 -1.872 313 HH2 TRP 696 HH TRP 696 0.871 -1.581 -0.807 314 H GLN 697 H GLN 697 1.994 5.321 -2.052 315 HA GLN 697 HA GLN 697 0.745 7.920 -1.298 316 1HB GLN 697 2HB GLN 697 2.417 8.129 -2.968 317 2HB GLN 697 1HB GLN 697 1.881 6.673 -3.805 318 1HG GLN 697 2HG GLN 697 0.376 7.827 -5.030 319 2HG GLN 697 1HG GLN 697 -0.250 8.654 -3.602 320 1HE2 GLN 697 1HE2 GLN 697 1.411 9.192 -6.489 321 2HE2 GLN 697 2HE2 GLN 697 2.138 10.676 -6.094 322 H LEU 698 H LEU 698 -1.448 7.742 -0.954 323 HA LEU 698 HA LEU 698 -2.978 5.634 -2.346 324 1HB LEU 698 2HB LEU 698 -4.577 6.016 -0.660 325 2HB LEU 698 1HB LEU 698 -3.057 6.374 0.157 326 HG LEU 698 HG LEU 698 -3.741 8.800 -1.013 327 1HD1 LEU 698 1HD1 LEU 698 -5.971 8.891 -1.298 328 2HD1 LEU 698 2HD1 LEU 698 -6.203 8.480 0.401 329 3HD1 LEU 698 3HD1 LEU 698 -6.108 7.201 -0.810 330 1HD2 LEU 698 1HD2 LEU 698 -3.856 9.555 1.209 331 2HD2 LEU 698 2HD2 LEU 698 -2.898 8.082 1.357 332 3HD2 LEU 698 3HD2 LEU 698 -4.611 8.066 1.776 333 H GLN 699 H GLN 699 -5.305 6.455 -3.018 334 HA GLN 699 HA GLN 699 -5.273 9.136 -4.280 335 1HB GLN 699 2HB GLN 699 -5.448 6.530 -5.831 336 2HB GLN 699 1HB GLN 699 -5.622 8.142 -6.525 337 1HG GLN 699 2HG GLN 699 -3.298 8.626 -5.508 338 2HG GLN 699 1HG GLN 699 -3.159 6.877 -5.325 339 1HE2 GLN 699 1HE2 GLN 699 -3.650 5.602 -7.443 340 2HE2 GLN 699 2HE2 GLN 699 -3.100 6.291 -8.894 Start of MODEL 8 1 HA ALA 655 HA ALA 655 -7.168 -5.369 -3.210 2 1HB ALA 655 1HB ALA 655 -7.706 -5.009 -0.462 3 2HB ALA 655 2HB ALA 655 -8.948 -6.117 -1.046 4 3HB ALA 655 3HB ALA 655 -8.742 -4.541 -1.811 5 H TRP 656 H TRP 656 -5.978 -4.302 -0.837 6 HA TRP 656 HA TRP 656 -3.302 -5.182 -1.023 7 1HB TRP 656 2HB TRP 656 -3.866 -3.056 -0.064 8 2HB TRP 656 1HB TRP 656 -4.904 -3.807 1.148 9 HD1 TRP 656 HD TRP 656 -1.237 -3.231 0.272 10 HE1 TRP 656 1HE TRP 656 0.204 -3.742 2.347 11 HE3 TRP 656 3HE TRP 656 -4.804 -5.176 3.362 12 HZ2 TRP 656 2HZ TRP 656 -0.116 -4.832 4.974 13 HZ3 TRP 656 3HZ TRP 656 -4.212 -5.942 5.641 14 HH2 TRP 656 HH TRP 656 -1.875 -5.774 6.452 15 H GLN 657 H GLN 657 -2.043 -6.562 0.356 16 HA GLN 657 HA GLN 657 -3.634 -8.442 2.071 17 1HB GLN 657 2HB GLN 657 -1.456 -8.915 0.025 18 2HB GLN 657 1HB GLN 657 -1.894 -10.135 1.221 19 1HG GLN 657 2HG GLN 657 -4.222 -8.976 -0.133 20 2HG GLN 657 1HG GLN 657 -3.119 -9.797 -1.238 21 1HE2 GLN 657 1HE2 GLN 657 -5.406 -10.279 1.376 22 2HE2 GLN 657 2HE2 GLN 657 -5.319 -11.974 1.397 23 H VAL 658 H VAL 658 -2.705 -8.893 4.075 24 HA VAL 658 HA VAL 658 -0.488 -7.216 4.972 25 HB VAL 658 HB VAL 658 -2.497 -7.831 6.318 26 1HG1 VAL 658 1HG1 VAL 658 -2.649 -10.172 5.433 27 2HG1 VAL 658 2HG1 VAL 658 -2.721 -10.091 7.194 28 3HG1 VAL 658 3HG1 VAL 658 -1.229 -10.585 6.394 29 1HG2 VAL 658 1HG2 VAL 658 -1.328 -8.044 8.360 30 2HG2 VAL 658 2HG2 VAL 658 -0.148 -7.300 7.281 31 3HG2 VAL 658 3HG2 VAL 658 -0.057 -9.026 7.630 32 H ASN 659 H ASN 659 1.502 -8.106 5.923 33 HA ASN 659 HA ASN 659 3.453 -9.435 5.730 34 1HB ASN 659 2HB ASN 659 1.722 -10.801 7.041 35 2HB ASN 659 1HB ASN 659 1.428 -11.675 5.537 36 1HD2 ASN 659 1HD2 ASN 659 2.335 -13.450 7.199 37 2HD2 ASN 659 2HD2 ASN 659 4.009 -13.713 7.114 38 H THR 660 H THR 660 2.988 -8.329 3.312 39 HA THR 660 HA THR 660 3.439 -10.599 1.405 40 HB THR 660 HB THR 660 1.754 -8.115 0.944 41 HG1 THR 660 1HG THR 660 0.689 -9.490 2.323 42 1HG2 THR 660 1HG2 THR 660 2.240 -10.598 -0.727 43 2HG2 THR 660 2HG2 THR 660 2.773 -8.961 -1.108 44 3HG2 THR 660 3HG2 THR 660 1.052 -9.349 -1.104 45 H ALA 661 H ALA 661 4.572 -9.841 -0.604 46 HA ALA 661 HA ALA 661 6.479 -7.627 0.038 47 1HB ALA 661 1HB ALA 661 6.850 -9.588 -2.194 48 2HB ALA 661 2HB ALA 661 6.985 -10.184 -0.539 49 3HB ALA 661 3HB ALA 661 8.052 -8.898 -1.103 50 H TYR 662 H TYR 662 5.923 -5.728 -0.968 51 HA TYR 662 HA TYR 662 4.596 -5.877 -3.653 52 1HB TYR 662 2HB TYR 662 4.512 -3.996 -1.304 53 2HB TYR 662 1HB TYR 662 4.037 -3.422 -2.903 54 HD1 TYR 662 1HD TYR 662 2.629 -4.472 -0.015 55 HD2 TYR 662 2HD TYR 662 2.655 -5.566 -4.169 56 HE1 TYR 662 1HE TYR 662 0.411 -5.550 0.255 57 HE2 TYR 662 2HE TYR 662 0.437 -6.644 -3.898 58 HH TYR 662 HH TYR 662 -0.933 -7.607 -2.120 59 H THR 663 H THR 663 5.346 -4.381 -5.292 60 HA THR 663 HA THR 663 8.206 -3.595 -4.946 61 HB THR 663 HB THR 663 7.818 -3.343 -7.547 62 HG1 THR 663 1HG THR 663 5.595 -3.547 -7.504 63 1HG2 THR 663 1HG2 THR 663 8.759 -5.357 -5.897 64 2HG2 THR 663 2HG2 THR 663 8.911 -5.316 -7.654 65 3HG2 THR 663 3HG2 THR 663 7.573 -6.187 -6.904 66 H ALA 664 H ALA 664 8.678 -1.532 -6.434 67 HA ALA 664 HA ALA 664 7.170 0.682 -5.280 68 1HB ALA 664 1HB ALA 664 9.677 0.160 -6.564 69 2HB ALA 664 2HB ALA 664 9.184 1.611 -5.691 70 3HB ALA 664 3HB ALA 664 8.882 1.479 -7.423 71 H GLY 665 H GLY 665 5.344 1.566 -6.178 72 1HA GLY 665 2HA GLY 665 4.077 2.514 -7.994 73 2HA GLY 665 1HA GLY 665 5.039 1.563 -9.126 74 H GLN 666 H GLN 666 3.622 0.154 -6.241 75 HA GLN 666 HA GLN 666 2.093 -1.726 -7.938 76 1HB GLN 666 2HB GLN 666 3.443 -1.724 -5.428 77 2HB GLN 666 1HB GLN 666 1.747 -2.088 -5.109 78 1HG GLN 666 2HG GLN 666 3.023 -3.467 -7.425 79 2HG GLN 666 1HG GLN 666 3.493 -3.997 -5.809 80 1HE2 GLN 666 1HE2 GLN 666 2.096 -5.859 -7.272 81 2HE2 GLN 666 2HE2 GLN 666 0.496 -5.989 -6.720 82 H LEU 667 H LEU 667 -0.186 -2.288 -6.980 83 HA LEU 667 HA LEU 667 -1.605 0.222 -6.157 84 1HB LEU 667 2HB LEU 667 -1.631 -0.603 -8.667 85 2HB LEU 667 1HB LEU 667 -2.807 -1.768 -8.058 86 HG LEU 667 HG LEU 667 -3.006 1.237 -7.708 87 1HD1 LEU 667 1HD1 LEU 667 -3.328 0.516 -10.055 88 2HD1 LEU 667 2HD1 LEU 667 -4.841 1.080 -9.345 89 3HD1 LEU 667 3HD1 LEU 667 -4.541 -0.648 -9.525 90 1HD2 LEU 667 1HD2 LEU 667 -5.463 0.364 -7.195 91 2HD2 LEU 667 2HD2 LEU 667 -4.233 0.381 -5.931 92 3HD2 LEU 667 3HD2 LEU 667 -4.606 -1.120 -6.777 93 H VAL 668 H VAL 668 -2.118 -0.406 -4.045 94 HA VAL 668 HA VAL 668 -3.454 -3.066 -3.687 95 HB VAL 668 HB VAL 668 -2.607 -2.988 -1.451 96 1HG1 VAL 668 1HG1 VAL 668 -0.503 -3.390 -2.141 97 2HG1 VAL 668 2HG1 VAL 668 -0.219 -1.664 -2.366 98 3HG1 VAL 668 3HG1 VAL 668 -0.894 -2.626 -3.682 99 1HG2 VAL 668 1HG2 VAL 668 -2.728 -1.013 -0.365 100 2HG2 VAL 668 2HG2 VAL 668 -2.827 -0.125 -1.886 101 3HG2 VAL 668 3HG2 VAL 668 -1.253 -0.534 -1.205 102 H THR 669 H THR 669 -5.160 -2.959 -1.840 103 HA THR 669 HA THR 669 -6.587 -0.331 -1.788 104 HB THR 669 HB THR 669 -8.686 -1.896 -2.145 105 HG1 THR 669 1HG THR 669 -6.655 -3.336 -3.488 106 1HG2 THR 669 1HG2 THR 669 -6.740 -0.832 -4.163 107 2HG2 THR 669 2HG2 THR 669 -8.373 -0.281 -3.789 108 3HG2 THR 669 3HG2 THR 669 -8.133 -1.760 -4.719 109 H TYR 670 H TYR 670 -7.053 0.118 0.347 110 HA TYR 670 HA TYR 670 -7.040 -2.134 2.295 111 1HB TYR 670 2HB TYR 670 -6.649 0.841 2.354 112 2HB TYR 670 1HB TYR 670 -7.070 -0.003 3.845 113 HD1 TYR 670 1HD TYR 670 -4.415 0.885 1.632 114 HD2 TYR 670 2HD TYR 670 -5.668 -2.121 4.430 115 HE1 TYR 670 1HE TYR 670 -2.065 0.135 1.875 116 HE2 TYR 670 2HE TYR 670 -3.319 -2.872 4.674 117 HH TYR 670 HH TYR 670 -0.912 -1.528 4.282 118 H ASN 671 H ASN 671 -9.159 -2.986 2.019 119 HA ASN 671 HA ASN 671 -11.522 -3.044 2.197 120 1HB ASN 671 2HB ASN 671 -10.298 -1.572 4.484 121 2HB ASN 671 1HB ASN 671 -12.059 -1.559 4.371 122 1HD2 ASN 671 1HD2 ASN 671 -12.666 -3.107 5.932 123 2HD2 ASN 671 2HD2 ASN 671 -12.103 -4.709 5.950 124 H GLY 672 H GLY 672 -11.881 -1.798 0.166 125 1HA GLY 672 2HA GLY 672 -13.151 -0.154 -0.938 126 2HA GLY 672 1HA GLY 672 -13.563 0.510 0.641 127 H LYS 673 H LYS 673 -10.263 0.328 0.617 128 HA LYS 673 HA LYS 673 -10.070 3.197 -0.198 129 1HB LYS 673 2HB LYS 673 -8.358 1.384 1.527 130 2HB LYS 673 1HB LYS 673 -7.977 3.070 1.186 131 1HG LYS 673 2HG LYS 673 -10.651 2.275 2.331 132 2HG LYS 673 1HG LYS 673 -9.258 2.571 3.372 133 1HD LYS 673 2HD LYS 673 -9.302 4.820 3.009 134 2HD LYS 673 1HD LYS 673 -9.737 4.636 1.310 135 1HE LYS 673 2HE LYS 673 -12.056 4.292 1.846 136 2HE LYS 673 1HE LYS 673 -11.693 4.135 3.577 137 1HZ LYS 673 1HZ LYS 673 -11.195 6.353 3.775 138 2HZ LYS 673 2HZ LYS 673 -12.431 6.426 2.612 139 3HZ LYS 673 3HZ LYS 673 -10.804 6.536 2.136 140 H THR 674 H THR 674 -8.396 3.857 -1.640 141 HA THR 674 HA THR 674 -7.162 1.625 -3.223 142 HB THR 674 HB THR 674 -8.036 4.435 -3.966 143 HG1 THR 674 1HG THR 674 -9.695 3.443 -4.909 144 1HG2 THR 674 1HG2 THR 674 -6.871 2.265 -5.730 145 2HG2 THR 674 2HG2 THR 674 -5.988 3.690 -5.181 146 3HG2 THR 674 3HG2 THR 674 -7.383 3.873 -6.244 147 H TYR 675 H TYR 675 -5.012 1.466 -2.746 148 HA TYR 675 HA TYR 675 -3.465 3.999 -2.297 149 1HB TYR 675 2HB TYR 675 -3.516 1.324 -0.932 150 2HB TYR 675 1HB TYR 675 -2.024 2.263 -0.922 151 HD1 TYR 675 1HD TYR 675 -1.895 4.420 0.224 152 HD2 TYR 675 2HD TYR 675 -5.519 2.116 0.218 153 HE1 TYR 675 1HE TYR 675 -2.795 5.829 2.054 154 HE2 TYR 675 2HE TYR 675 -6.418 3.526 2.048 155 HH TYR 675 HH TYR 675 -5.868 5.067 3.621 156 H LYS 676 H LYS 676 -1.090 3.690 -2.844 157 HA LYS 676 HA LYS 676 -0.623 1.610 -4.941 158 1HB LYS 676 2HB LYS 676 -0.890 4.525 -5.195 159 2HB LYS 676 1HB LYS 676 0.591 3.899 -5.918 160 1HG LYS 676 2HG LYS 676 -0.692 3.384 -7.711 161 2HG LYS 676 1HG LYS 676 -1.314 2.060 -6.726 162 1HD LYS 676 2HD LYS 676 -3.288 3.146 -6.260 163 2HD LYS 676 1HD LYS 676 -2.544 4.744 -6.319 164 1HE LYS 676 2HE LYS 676 -2.779 4.920 -8.621 165 2HE LYS 676 1HE LYS 676 -2.690 3.163 -8.865 166 1HZ LYS 676 1HZ LYS 676 -4.839 2.872 -7.989 167 2HZ LYS 676 2HZ LYS 676 -4.977 4.185 -9.058 168 3HZ LYS 676 3HZ LYS 676 -4.907 4.454 -7.381 169 H CYS 677 H CYS 677 1.299 0.603 -4.476 170 HA CYS 677 HA CYS 677 3.070 1.493 -2.391 171 1HB CYS 677 2HB CYS 677 2.572 -0.794 -3.912 172 2HB CYS 677 1HB CYS 677 4.214 -0.334 -4.364 173 HG CYS 677 HG CYS 677 3.485 -0.582 -1.339 174 H LEU 678 H LEU 678 5.044 2.595 -2.532 175 HA LEU 678 HA LEU 678 5.733 3.727 -5.223 176 1HB LEU 678 2HB LEU 678 4.879 5.078 -3.076 177 2HB LEU 678 1HB LEU 678 6.587 4.982 -2.646 178 HG LEU 678 HG LEU 678 5.608 5.953 -5.341 179 1HD1 LEU 678 1HD1 LEU 678 5.067 7.909 -4.374 180 2HD1 LEU 678 2HD1 LEU 678 6.726 8.061 -3.796 181 3HD1 LEU 678 3HD1 LEU 678 5.511 7.272 -2.791 182 1HD2 LEU 678 1HD2 LEU 678 7.843 5.394 -5.633 183 2HD2 LEU 678 2HD2 LEU 678 8.247 5.700 -3.944 184 3HD2 LEU 678 3HD2 LEU 678 8.012 7.051 -5.053 185 H GLN 679 H GLN 679 6.903 2.002 -2.412 186 HA GLN 679 HA GLN 679 9.601 1.845 -3.708 187 1HB GLN 679 2HB GLN 679 8.958 2.066 -0.750 188 2HB GLN 679 1HB GLN 679 10.570 2.020 -1.462 189 1HG GLN 679 2HG GLN 679 9.927 4.095 -2.780 190 2HG GLN 679 1HG GLN 679 8.482 4.189 -1.773 191 1HE2 GLN 679 1HE2 GLN 679 11.853 3.285 -0.872 192 2HE2 GLN 679 2HE2 GLN 679 12.020 4.498 0.304 193 HA PRO 680 HA PRO 680 8.926 -2.533 -3.381 194 1HB PRO 680 2HB PRO 680 11.755 -3.023 -3.223 195 2HB PRO 680 1HB PRO 680 10.703 -3.179 -4.633 196 1HG PRO 680 2HG PRO 680 12.705 -1.191 -4.166 197 2HG PRO 680 1HG PRO 680 11.610 -1.317 -5.545 198 1HD PRO 680 2HD PRO 680 11.543 0.606 -3.376 199 2HD PRO 680 1HD PRO 680 10.490 0.526 -4.809 200 H HIS 681 H HIS 681 8.135 -2.938 -1.279 201 HA HIS 681 HA HIS 681 10.174 -3.583 0.783 202 1HB HIS 681 2HB HIS 681 8.000 -1.489 0.967 203 2HB HIS 681 1HB HIS 681 8.723 -2.205 2.409 204 HD1 HIS 681 1HD HIS 681 11.654 -2.426 1.306 205 HD2 HIS 681 2HD HIS 681 9.292 1.004 1.094 206 HE1 HIS 681 1HE HIS 681 13.248 -0.472 1.073 207 H THR 682 H THR 682 8.399 -4.008 2.904 208 HA THR 682 HA THR 682 6.605 -6.145 1.796 209 HB THR 682 HB THR 682 8.184 -5.981 4.383 210 HG1 THR 682 1HG THR 682 8.596 -7.108 1.875 211 1HG2 THR 682 1HG2 THR 682 7.493 -8.418 4.541 212 2HG2 THR 682 2HG2 THR 682 6.334 -8.090 3.254 213 3HG2 THR 682 3HG2 THR 682 6.195 -7.253 4.800 214 H SER 683 H SER 683 4.469 -6.065 2.441 215 HA SER 683 HA SER 683 3.592 -3.805 4.129 216 1HB SER 683 2HB SER 683 1.328 -4.864 3.445 217 2HB SER 683 1HB SER 683 2.324 -4.191 2.158 218 HG SER 683 HG SER 683 1.405 -6.470 2.008 219 H LEU 684 H LEU 684 2.789 -4.051 6.230 220 HA LEU 684 HA LEU 684 2.305 -6.796 7.262 221 1HB LEU 684 2HB LEU 684 3.974 -6.618 8.940 222 2HB LEU 684 1HB LEU 684 4.755 -6.010 7.481 223 HG LEU 684 HG LEU 684 3.437 -4.283 9.600 224 1HD1 LEU 684 1HD1 LEU 684 6.100 -3.623 9.525 225 2HD1 LEU 684 2HD1 LEU 684 6.159 -5.367 9.266 226 3HD1 LEU 684 3HD1 LEU 684 5.376 -4.715 10.706 227 1HD2 LEU 684 1HD2 LEU 684 3.310 -2.964 7.703 228 2HD2 LEU 684 2HD2 LEU 684 4.672 -3.769 6.925 229 3HD2 LEU 684 3HD2 LEU 684 4.959 -2.588 8.204 230 H ALA 685 H ALA 685 1.497 -6.637 9.619 231 HA ALA 685 HA ALA 685 -0.802 -4.963 9.769 232 1HB ALA 685 1HB ALA 685 -0.280 -5.659 12.353 233 2HB ALA 685 2HB ALA 685 0.751 -6.806 11.498 234 3HB ALA 685 3HB ALA 685 -0.983 -6.765 11.173 235 H GLY 686 H GLY 686 0.304 -2.868 9.198 236 1HA GLY 686 2HA GLY 686 0.509 -1.119 11.405 237 2HA GLY 686 1HA GLY 686 2.155 -1.581 10.958 238 H TRP 687 H TRP 687 1.860 -1.834 8.189 239 HA TRP 687 HA TRP 687 1.726 1.015 7.408 240 1HB TRP 687 2HB TRP 687 2.558 -1.583 6.096 241 2HB TRP 687 1HB TRP 687 2.562 -0.048 5.229 242 HD1 TRP 687 HD TRP 687 3.357 0.697 8.694 243 HE1 TRP 687 1HE TRP 687 5.899 0.965 9.042 244 HE3 TRP 687 3HE TRP 687 5.061 -1.303 4.316 245 HZ2 TRP 687 2HZ TRP 687 8.333 0.405 7.645 246 HZ3 TRP 687 3HZ TRP 687 7.491 -1.423 3.849 247 HH2 TRP 687 HH TRP 687 9.129 -0.572 5.507 248 H GLU 688 H GLU 688 -0.782 -0.428 8.105 249 HA GLU 688 HA GLU 688 -2.143 -0.855 5.524 250 1HB GLU 688 2HB GLU 688 -3.635 -0.785 8.105 251 2HB GLU 688 1HB GLU 688 -3.739 -1.936 6.780 252 1HG GLU 688 2HG GLU 688 -1.345 -2.655 7.513 253 2HG GLU 688 1HG GLU 688 -1.737 -1.838 9.027 254 HA PRO 689 HA PRO 689 -4.540 2.995 7.208 255 1HB PRO 689 2HB PRO 689 -2.782 4.399 9.000 256 2HB PRO 689 1HB PRO 689 -4.343 3.661 9.368 257 1HG PRO 689 2HG PRO 689 -1.791 2.775 10.240 258 2HG PRO 689 1HG PRO 689 -3.336 1.946 10.452 259 1HD PRO 689 2HD PRO 689 -1.136 1.289 8.635 260 2HD PRO 689 1HD PRO 689 -2.570 0.319 9.049 261 H SER 690 H SER 690 -1.314 2.649 6.239 262 HA SER 690 HA SER 690 -0.040 3.854 4.652 263 1HB SER 690 2HB SER 690 -1.332 4.964 3.104 264 2HB SER 690 1HB SER 690 -2.646 4.207 3.999 265 HG SER 690 HG SER 690 -2.956 6.083 5.116 266 H ASN 691 H ASN 691 0.216 4.460 7.449 267 HA ASN 691 HA ASN 691 0.190 7.366 7.808 268 1HB ASN 691 2HB ASN 691 1.169 6.765 9.985 269 2HB ASN 691 1HB ASN 691 -0.185 5.695 9.615 270 1HD2 ASN 691 1HD2 ASN 691 0.251 3.485 9.733 271 2HD2 ASN 691 2HD2 ASN 691 1.804 2.802 9.729 272 H VAL 692 H VAL 692 2.105 5.492 5.920 273 HA VAL 692 HA VAL 692 4.527 7.190 6.438 274 HB VAL 692 HB VAL 692 5.773 5.153 5.571 275 1HG1 VAL 692 1HG1 VAL 692 6.066 4.857 7.782 276 2HG1 VAL 692 2HG1 VAL 692 4.606 3.867 7.808 277 3HG1 VAL 692 3HG1 VAL 692 4.501 5.600 8.120 278 1HG2 VAL 692 1HG2 VAL 692 3.831 4.134 4.403 279 2HG2 VAL 692 2HG2 VAL 692 3.052 3.862 5.960 280 3HG2 VAL 692 3HG2 VAL 692 4.549 3.018 5.564 281 HA PRO 693 HA PRO 693 2.830 7.982 2.163 282 1HB PRO 693 2HB PRO 693 3.935 10.621 2.464 283 2HB PRO 693 1HB PRO 693 2.233 10.154 2.406 284 1HG PRO 693 2HG PRO 693 3.742 11.047 4.682 285 2HG PRO 693 1HG PRO 693 2.034 10.604 4.614 286 1HD PRO 693 2HD PRO 693 4.182 9.137 5.849 287 2HD PRO 693 1HD PRO 693 2.469 8.666 5.733 288 H ALA 694 H ALA 694 5.893 8.186 3.762 289 HA ALA 694 HA ALA 694 7.636 9.042 1.705 290 1HB ALA 694 1HB ALA 694 8.086 8.507 4.155 291 2HB ALA 694 2HB ALA 694 9.314 7.932 3.027 292 3HB ALA 694 3HB ALA 694 8.128 6.807 3.691 293 H LEU 695 H LEU 695 6.146 5.866 2.260 294 HA LEU 695 HA LEU 695 7.278 4.986 -0.369 295 1HB LEU 695 2HB LEU 695 8.016 3.088 0.645 296 2HB LEU 695 1HB LEU 695 7.833 4.005 2.132 297 HG LEU 695 HG LEU 695 6.760 1.891 2.470 298 1HD1 LEU 695 1HD1 LEU 695 5.387 4.281 2.727 299 2HD1 LEU 695 2HD1 LEU 695 4.920 2.741 3.442 300 3HD1 LEU 695 3HD1 LEU 695 4.235 3.237 1.897 301 1HD2 LEU 695 1HD2 LEU 695 6.321 1.960 -0.276 302 2HD2 LEU 695 2HD2 LEU 695 4.700 2.053 0.412 303 3HD2 LEU 695 3HD2 LEU 695 5.761 0.708 0.833 304 H TRP 696 H TRP 696 4.450 5.659 1.396 305 HA TRP 696 HA TRP 696 2.767 3.837 -0.253 306 1HB TRP 696 2HB TRP 696 2.615 5.245 2.336 307 2HB TRP 696 1HB TRP 696 1.107 5.247 1.423 308 HD1 TRP 696 HD TRP 696 2.096 3.454 4.106 309 HE1 TRP 696 1HE TRP 696 1.561 0.936 4.022 310 HE3 TRP 696 3HE TRP 696 1.352 2.865 -0.920 311 HZ2 TRP 696 2HZ TRP 696 0.909 -1.064 2.089 312 HZ3 TRP 696 3HZ TRP 696 0.778 0.645 -1.849 313 HH2 TRP 696 HH TRP 696 0.554 -1.319 -0.353 314 H GLN 697 H GLN 697 1.214 4.663 -1.696 315 HA GLN 697 HA GLN 697 1.159 7.631 -2.102 316 1HB GLN 697 2HB GLN 697 2.709 6.335 -3.656 317 2HB GLN 697 1HB GLN 697 1.271 5.533 -4.288 318 1HG GLN 697 2HG GLN 697 0.562 7.394 -5.406 319 2HG GLN 697 1HG GLN 697 1.127 8.490 -4.146 320 1HE2 GLN 697 1HE2 GLN 697 2.227 9.862 -5.738 321 2HE2 GLN 697 2HE2 GLN 697 3.661 9.352 -6.490 322 H LEU 698 H LEU 698 -0.946 7.404 -0.937 323 HA LEU 698 HA LEU 698 -3.083 5.730 -1.751 324 1HB LEU 698 2HB LEU 698 -3.098 6.974 0.321 325 2HB LEU 698 1HB LEU 698 -2.971 8.508 -0.542 326 HG LEU 698 HG LEU 698 -5.180 7.956 -1.650 327 1HD1 LEU 698 1HD1 LEU 698 -4.711 5.445 -0.582 328 2HD1 LEU 698 2HD1 LEU 698 -6.255 6.007 -1.224 329 3HD1 LEU 698 3HD1 LEU 698 -5.927 6.113 0.507 330 1HD2 LEU 698 1HD2 LEU 698 -6.270 9.080 0.018 331 2HD2 LEU 698 2HD2 LEU 698 -4.654 9.197 0.714 332 3HD2 LEU 698 3HD2 LEU 698 -5.759 7.935 1.259 333 H GLN 699 H GLN 699 -4.893 6.157 -3.140 334 HA GLN 699 HA GLN 699 -4.719 8.494 -4.970 335 1HB GLN 699 2HB GLN 699 -4.287 5.597 -5.626 336 2HB GLN 699 1HB GLN 699 -5.062 6.630 -6.828 337 1HG GLN 699 2HG GLN 699 -2.452 7.349 -5.474 338 2HG GLN 699 1HG GLN 699 -2.535 6.488 -7.011 339 1HE2 GLN 699 1HE2 GLN 699 -3.778 7.651 -8.805 340 2HE2 GLN 699 2HE2 GLN 699 -3.749 9.348 -8.826 Start of MODEL 9 1 HA ALA 655 HA ALA 655 -6.516 -4.935 -3.261 2 1HB ALA 655 1HB ALA 655 -7.377 -7.261 -1.592 3 2HB ALA 655 2HB ALA 655 -8.254 -6.960 -3.091 4 3HB ALA 655 3HB ALA 655 -8.180 -5.712 -1.847 5 H TRP 656 H TRP 656 -5.840 -4.513 -0.921 6 HA TRP 656 HA TRP 656 -3.080 -5.049 -0.517 7 1HB TRP 656 2HB TRP 656 -4.369 -3.187 0.470 8 2HB TRP 656 1HB TRP 656 -5.270 -4.336 1.461 9 HD1 TRP 656 HD TRP 656 -1.582 -3.332 0.846 10 HE1 TRP 656 1HE TRP 656 -0.309 -3.557 3.076 11 HE3 TRP 656 3HE TRP 656 -5.319 -5.153 3.817 12 HZ2 TRP 656 2HZ TRP 656 -0.808 -4.397 5.763 13 HZ3 TRP 656 3HZ TRP 656 -4.891 -5.655 6.206 14 HH2 TRP 656 HH TRP 656 -2.642 -5.279 7.182 15 H GLN 657 H GLN 657 -2.027 -6.506 0.942 16 HA GLN 657 HA GLN 657 -3.681 -8.624 2.223 17 1HB GLN 657 2HB GLN 657 -1.586 -8.971 0.065 18 2HB GLN 657 1HB GLN 657 -2.086 -10.299 1.112 19 1HG GLN 657 2HG GLN 657 -4.505 -9.647 0.407 20 2HG GLN 657 1HG GLN 657 -3.718 -8.793 -0.921 21 1HE2 GLN 657 1HE2 GLN 657 -4.942 -11.821 -0.009 22 2HE2 GLN 657 2HE2 GLN 657 -4.154 -12.769 -1.176 23 H VAL 658 H VAL 658 -2.929 -8.097 4.310 24 HA VAL 658 HA VAL 658 -0.473 -7.176 5.180 25 HB VAL 658 HB VAL 658 -2.307 -7.571 6.689 26 1HG1 VAL 658 1HG1 VAL 658 -2.997 -9.681 5.299 27 2HG1 VAL 658 2HG1 VAL 658 -3.354 -9.644 7.025 28 3HG1 VAL 658 3HG1 VAL 658 -1.962 -10.550 6.432 29 1HG2 VAL 658 1HG2 VAL 658 0.074 -7.877 7.546 30 2HG2 VAL 658 2HG2 VAL 658 -0.202 -9.616 7.432 31 3HG2 VAL 658 3HG2 VAL 658 -1.184 -8.635 8.521 32 H ASN 659 H ASN 659 1.553 -8.132 5.695 33 HA ASN 659 HA ASN 659 3.332 -9.681 5.479 34 1HB ASN 659 2HB ASN 659 1.041 -11.011 6.372 35 2HB ASN 659 1HB ASN 659 1.616 -12.004 5.033 36 1HD2 ASN 659 1HD2 ASN 659 2.472 -13.718 6.375 37 2HD2 ASN 659 2HD2 ASN 659 3.811 -13.486 7.392 38 H THR 660 H THR 660 3.020 -8.376 3.179 39 HA THR 660 HA THR 660 3.158 -10.517 1.091 40 HB THR 660 HB THR 660 1.493 -8.000 1.175 41 HG1 THR 660 1HG THR 660 0.164 -9.856 0.090 42 1HG2 THR 660 1HG2 THR 660 2.625 -7.823 -0.934 43 2HG2 THR 660 2HG2 THR 660 1.024 -8.480 -1.272 44 3HG2 THR 660 3HG2 THR 660 2.429 -9.546 -1.252 45 H ALA 661 H ALA 661 4.403 -9.823 -0.820 46 HA ALA 661 HA ALA 661 6.490 -7.809 -0.115 47 1HB ALA 661 1HB ALA 661 6.706 -9.520 -2.532 48 2HB ALA 661 2HB ALA 661 6.630 -10.386 -0.996 49 3HB ALA 661 3HB ALA 661 7.902 -9.196 -1.276 50 H TYR 662 H TYR 662 5.699 -5.807 -0.810 51 HA TYR 662 HA TYR 662 4.433 -5.634 -3.502 52 1HB TYR 662 2HB TYR 662 4.645 -3.855 -1.068 53 2HB TYR 662 1HB TYR 662 4.031 -3.241 -2.603 54 HD1 TYR 662 1HD TYR 662 2.574 -5.574 -3.665 55 HD2 TYR 662 2HD TYR 662 2.758 -4.011 0.333 56 HE1 TYR 662 1HE TYR 662 0.355 -6.568 -3.174 57 HE2 TYR 662 2HE TYR 662 0.540 -5.006 0.824 58 HH TYR 662 HH TYR 662 -0.787 -7.205 -0.358 59 H THR 663 H THR 663 5.416 -4.496 -5.181 60 HA THR 663 HA THR 663 8.236 -3.638 -4.721 61 HB THR 663 HB THR 663 8.458 -3.988 -7.111 62 HG1 THR 663 1HG THR 663 6.515 -3.117 -7.794 63 1HG2 THR 663 1HG2 THR 663 6.833 -6.085 -5.671 64 2HG2 THR 663 2HG2 THR 663 8.574 -6.054 -5.948 65 3HG2 THR 663 3HG2 THR 663 7.473 -6.352 -7.292 66 H ALA 664 H ALA 664 8.932 -1.595 -5.725 67 HA ALA 664 HA ALA 664 7.417 0.671 -5.114 68 1HB ALA 664 1HB ALA 664 8.968 1.337 -7.352 69 2HB ALA 664 2HB ALA 664 9.789 -0.053 -6.639 70 3HB ALA 664 3HB ALA 664 9.489 1.389 -5.668 71 H GLY 665 H GLY 665 5.832 1.858 -6.190 72 1HA GLY 665 2HA GLY 665 4.298 2.457 -7.873 73 2HA GLY 665 1HA GLY 665 5.256 1.511 -9.012 74 H GLN 666 H GLN 666 3.991 0.152 -6.030 75 HA GLN 666 HA GLN 666 2.558 -1.909 -7.566 76 1HB GLN 666 2HB GLN 666 3.773 -1.554 -5.001 77 2HB GLN 666 1HB GLN 666 2.088 -2.010 -4.742 78 1HG GLN 666 2HG GLN 666 4.119 -3.490 -6.438 79 2HG GLN 666 1HG GLN 666 3.436 -4.031 -4.904 80 1HE2 GLN 666 1HE2 GLN 666 2.850 -3.797 -8.347 81 2HE2 GLN 666 2HE2 GLN 666 1.332 -4.556 -8.338 82 H LEU 667 H LEU 667 0.289 -2.465 -6.296 83 HA LEU 667 HA LEU 667 -1.254 0.037 -5.841 84 1HB LEU 667 2HB LEU 667 -1.337 -1.751 -8.199 85 2HB LEU 667 1HB LEU 667 -2.914 -1.316 -7.539 86 HG LEU 667 HG LEU 667 -0.726 0.612 -8.371 87 1HD1 LEU 667 1HD1 LEU 667 -2.074 -0.504 -10.194 88 2HD1 LEU 667 2HD1 LEU 667 -2.239 1.251 -10.142 89 3HD1 LEU 667 3HD1 LEU 667 -3.516 0.225 -9.488 90 1HD2 LEU 667 1HD2 LEU 667 -3.038 0.882 -6.601 91 2HD2 LEU 667 2HD2 LEU 667 -3.104 2.007 -7.958 92 3HD2 LEU 667 3HD2 LEU 667 -1.707 2.005 -6.880 93 H VAL 668 H VAL 668 -2.073 -0.466 -3.833 94 HA VAL 668 HA VAL 668 -3.372 -3.153 -3.489 95 HB VAL 668 HB VAL 668 -2.608 -3.101 -1.224 96 1HG1 VAL 668 1HG1 VAL 668 -0.837 -3.541 -2.927 97 2HG1 VAL 668 2HG1 VAL 668 -0.195 -2.823 -1.450 98 3HG1 VAL 668 3HG1 VAL 668 -0.416 -1.829 -2.891 99 1HG2 VAL 668 1HG2 VAL 668 -1.466 -1.033 -0.316 100 2HG2 VAL 668 2HG2 VAL 668 -3.189 -0.827 -0.631 101 3HG2 VAL 668 3HG2 VAL 668 -2.002 -0.177 -1.762 102 H THR 669 H THR 669 -5.272 -3.076 -1.964 103 HA THR 669 HA THR 669 -6.527 -0.371 -1.738 104 HB THR 669 HB THR 669 -8.653 -1.476 -2.580 105 HG1 THR 669 1HG THR 669 -8.222 -3.601 -2.357 106 1HG2 THR 669 1HG2 THR 669 -6.788 -1.845 -4.823 107 2HG2 THR 669 2HG2 THR 669 -6.577 -0.319 -3.964 108 3HG2 THR 669 3HG2 THR 669 -8.145 -0.730 -4.659 109 H TYR 670 H TYR 670 -7.121 -0.121 0.386 110 HA TYR 670 HA TYR 670 -7.431 -2.529 2.090 111 1HB TYR 670 2HB TYR 670 -7.337 0.461 2.589 112 2HB TYR 670 1HB TYR 670 -7.507 -0.737 3.874 113 HD1 TYR 670 1HD TYR 670 -5.626 -1.923 4.703 114 HD2 TYR 670 2HD TYR 670 -5.307 0.325 1.059 115 HE1 TYR 670 1HE TYR 670 -3.173 -2.283 4.694 116 HE2 TYR 670 2HE TYR 670 -2.853 -0.030 1.052 117 HH TYR 670 HH TYR 670 -1.201 -1.448 1.958 118 H ASN 671 H ASN 671 -9.474 -3.412 1.741 119 HA ASN 671 HA ASN 671 -11.827 -3.582 1.846 120 1HB ASN 671 2HB ASN 671 -11.349 -2.733 4.100 121 2HB ASN 671 1HB ASN 671 -11.350 -1.077 3.495 122 1HD2 ASN 671 1HD2 ASN 671 -13.309 -0.030 3.838 123 2HD2 ASN 671 2HD2 ASN 671 -14.825 -0.789 3.901 124 H GLY 672 H GLY 672 -11.718 -0.038 1.995 125 1HA GLY 672 2HA GLY 672 -12.789 0.053 -0.793 126 2HA GLY 672 1HA GLY 672 -13.585 0.949 0.503 127 H LYS 673 H LYS 673 -10.097 0.587 0.344 128 HA LYS 673 HA LYS 673 -9.901 3.518 -0.279 129 1HB LYS 673 2HB LYS 673 -8.067 1.772 1.394 130 2HB LYS 673 1HB LYS 673 -8.002 3.528 1.237 131 1HG LYS 673 2HG LYS 673 -10.653 2.928 1.993 132 2HG LYS 673 1HG LYS 673 -9.621 1.934 3.022 133 1HD LYS 673 2HD LYS 673 -8.237 4.220 3.179 134 2HD LYS 673 1HD LYS 673 -9.828 4.906 2.850 135 1HE LYS 673 2HE LYS 673 -10.769 3.626 4.759 136 2HE LYS 673 1HE LYS 673 -9.152 2.982 5.106 137 1HZ LYS 673 1HZ LYS 673 -9.293 5.851 4.716 138 2HZ LYS 673 2HZ LYS 673 -8.426 4.953 5.868 139 3HZ LYS 673 3HZ LYS 673 -10.074 5.286 6.112 140 H THR 674 H THR 674 -8.343 4.135 -1.794 141 HA THR 674 HA THR 674 -7.087 1.926 -3.361 142 HB THR 674 HB THR 674 -7.158 4.819 -4.162 143 HG1 THR 674 1HG THR 674 -9.242 4.838 -4.195 144 1HG2 THR 674 1HG2 THR 674 -7.659 2.254 -5.695 145 2HG2 THR 674 2HG2 THR 674 -6.089 3.049 -5.571 146 3HG2 THR 674 3HG2 THR 674 -7.428 3.863 -6.380 147 H TYR 675 H TYR 675 -4.933 1.580 -2.998 148 HA TYR 675 HA TYR 675 -3.249 3.909 -2.149 149 1HB TYR 675 2HB TYR 675 -3.622 1.162 -1.016 150 2HB TYR 675 1HB TYR 675 -2.048 1.942 -0.852 151 HD1 TYR 675 1HD TYR 675 -5.533 1.933 0.205 152 HD2 TYR 675 2HD TYR 675 -1.851 4.136 0.319 153 HE1 TYR 675 1HE TYR 675 -6.410 3.296 2.075 154 HE2 TYR 675 2HE TYR 675 -2.735 5.511 2.182 155 HH TYR 675 HH TYR 675 -5.639 5.969 2.920 156 H LYS 676 H LYS 676 -1.077 3.849 -2.896 157 HA LYS 676 HA LYS 676 -0.428 1.695 -4.868 158 1HB LYS 676 2HB LYS 676 -0.035 3.272 -6.524 159 2HB LYS 676 1HB LYS 676 -1.295 4.111 -5.623 160 1HG LYS 676 2HG LYS 676 0.603 5.175 -4.262 161 2HG LYS 676 1HG LYS 676 1.689 4.568 -5.513 162 1HD LYS 676 2HD LYS 676 -0.751 6.093 -6.339 163 2HD LYS 676 1HD LYS 676 0.639 6.984 -5.719 164 1HE LYS 676 2HE LYS 676 1.144 6.893 -8.009 165 2HE LYS 676 1HE LYS 676 1.974 5.436 -7.425 166 1HZ LYS 676 1HZ LYS 676 -0.875 5.237 -8.071 167 2HZ LYS 676 2HZ LYS 676 0.351 4.068 -8.213 168 3HZ LYS 676 3HZ LYS 676 0.217 5.309 -9.366 169 H CYS 677 H CYS 677 1.642 0.907 -4.606 170 HA CYS 677 HA CYS 677 3.267 1.972 -2.394 171 1HB CYS 677 2HB CYS 677 2.777 -0.504 -3.633 172 2HB CYS 677 1HB CYS 677 4.461 -0.131 -4.001 173 HG CYS 677 HG CYS 677 4.401 0.429 -1.199 174 H LEU 678 H LEU 678 5.377 2.836 -2.647 175 HA LEU 678 HA LEU 678 6.079 3.655 -5.447 176 1HB LEU 678 2HB LEU 678 5.393 5.214 -3.299 177 2HB LEU 678 1HB LEU 678 7.151 5.182 -3.155 178 HG LEU 678 HG LEU 678 6.168 5.578 -5.906 179 1HD1 LEU 678 1HD1 LEU 678 6.062 8.147 -4.652 180 2HD1 LEU 678 2HD1 LEU 678 4.958 7.072 -3.795 181 3HD1 LEU 678 3HD1 LEU 678 4.784 7.312 -5.534 182 1HD2 LEU 678 1HD2 LEU 678 7.871 7.648 -5.142 183 2HD2 LEU 678 2HD2 LEU 678 8.360 6.145 -5.924 184 3HD2 LEU 678 3HD2 LEU 678 8.412 6.281 -4.167 185 H GLN 679 H GLN 679 7.126 2.058 -2.554 186 HA GLN 679 HA GLN 679 9.844 1.706 -3.767 187 1HB GLN 679 2HB GLN 679 8.997 2.319 -0.928 188 2HB GLN 679 1HB GLN 679 10.603 1.703 -1.317 189 1HG GLN 679 2HG GLN 679 9.447 4.150 -2.662 190 2HG GLN 679 1HG GLN 679 10.382 4.249 -1.170 191 1HE2 GLN 679 1HE2 GLN 679 12.675 3.904 -1.294 192 2HE2 GLN 679 2HE2 GLN 679 13.490 3.698 -2.768 193 HA PRO 680 HA PRO 680 9.002 -2.616 -3.349 194 1HB PRO 680 2HB PRO 680 11.761 -3.210 -2.792 195 2HB PRO 680 1HB PRO 680 10.899 -3.385 -4.324 196 1HG PRO 680 2HG PRO 680 12.893 -1.438 -3.642 197 2HG PRO 680 1HG PRO 680 12.026 -1.616 -5.169 198 1HD PRO 680 2HD PRO 680 11.701 0.453 -3.185 199 2HD PRO 680 1HD PRO 680 10.820 0.265 -4.722 200 H HIS 681 H HIS 681 7.874 -2.584 -1.311 201 HA HIS 681 HA HIS 681 9.592 -3.276 1.041 202 1HB HIS 681 2HB HIS 681 7.527 -1.132 0.665 203 2HB HIS 681 1HB HIS 681 7.684 -1.878 2.257 204 HD1 HIS 681 1HD HIS 681 10.026 -0.387 -0.375 205 HD2 HIS 681 2HD HIS 681 9.649 -0.665 3.768 206 HE1 HIS 681 1HE HIS 681 11.949 0.934 0.609 207 H THR 682 H THR 682 8.293 -4.424 2.750 208 HA THR 682 HA THR 682 6.207 -6.137 1.469 209 HB THR 682 HB THR 682 8.032 -6.436 3.872 210 HG1 THR 682 1HG THR 682 9.193 -7.045 2.211 211 1HG2 THR 682 1HG2 THR 682 5.488 -7.586 3.526 212 2HG2 THR 682 2HG2 THR 682 6.733 -8.091 4.669 213 3HG2 THR 682 3HG2 THR 682 6.638 -8.846 3.077 214 H SER 683 H SER 683 4.110 -5.799 2.068 215 HA SER 683 HA SER 683 3.341 -3.856 4.058 216 1HB SER 683 2HB SER 683 1.922 -4.266 2.183 217 2HB SER 683 1HB SER 683 1.952 -6.005 2.446 218 HG SER 683 HG SER 683 0.812 -5.627 4.405 219 H LEU 684 H LEU 684 2.675 -4.193 6.201 220 HA LEU 684 HA LEU 684 2.345 -6.956 7.204 221 1HB LEU 684 2HB LEU 684 4.210 -6.887 8.649 222 2HB LEU 684 1HB LEU 684 4.822 -6.160 7.165 223 HG LEU 684 HG LEU 684 3.870 -4.710 9.649 224 1HD1 LEU 684 1HD1 LEU 684 6.076 -4.317 10.092 225 2HD1 LEU 684 2HD1 LEU 684 6.498 -4.182 8.385 226 3HD1 LEU 684 3HD1 LEU 684 6.314 -5.772 9.125 227 1HD2 LEU 684 1HD2 LEU 684 4.388 -3.778 6.838 228 2HD2 LEU 684 2HD2 LEU 684 4.750 -2.704 8.188 229 3HD2 LEU 684 3HD2 LEU 684 3.107 -3.298 7.949 230 H ALA 685 H ALA 685 2.008 -6.747 9.752 231 HA ALA 685 HA ALA 685 -0.346 -5.213 10.210 232 1HB ALA 685 1HB ALA 685 -0.183 -6.892 11.750 233 2HB ALA 685 2HB ALA 685 0.719 -5.709 12.697 234 3HB ALA 685 3HB ALA 685 1.581 -6.881 11.703 235 H GLY 686 H GLY 686 0.284 -3.026 9.484 236 1HA GLY 686 2HA GLY 686 0.751 -1.152 11.458 237 2HA GLY 686 1HA GLY 686 2.372 -1.581 10.909 238 H TRP 687 H TRP 687 1.763 -2.021 8.158 239 HA TRP 687 HA TRP 687 1.560 0.796 7.279 240 1HB TRP 687 2HB TRP 687 2.179 -1.834 5.897 241 2HB TRP 687 1HB TRP 687 2.251 -0.261 5.101 242 HD1 TRP 687 HD TRP 687 3.306 0.661 8.322 243 HE1 TRP 687 1HE TRP 687 5.864 0.579 8.626 244 HE3 TRP 687 3HE TRP 687 4.580 -2.211 4.296 245 HZ2 TRP 687 2HZ TRP 687 8.148 -0.553 7.334 246 HZ3 TRP 687 3HZ TRP 687 6.953 -2.774 3.856 247 HH2 TRP 687 HH TRP 687 8.737 -1.950 5.369 248 H GLU 688 H GLU 688 -0.886 -0.412 8.290 249 HA GLU 688 HA GLU 688 -2.493 -1.041 5.891 250 1HB GLU 688 2HB GLU 688 -3.837 -0.654 8.505 251 2HB GLU 688 1HB GLU 688 -3.960 -1.986 7.366 252 1HG GLU 688 2HG GLU 688 -1.612 -2.674 8.126 253 2HG GLU 688 1HG GLU 688 -1.820 -1.531 9.454 254 HA PRO 689 HA PRO 689 -4.535 3.086 7.298 255 1HB PRO 689 2HB PRO 689 -2.703 4.478 9.023 256 2HB PRO 689 1HB PRO 689 -4.299 3.842 9.431 257 1HG PRO 689 2HG PRO 689 -1.807 2.879 10.367 258 2HG PRO 689 1HG PRO 689 -3.387 2.119 10.587 259 1HD PRO 689 2HD PRO 689 -1.192 1.333 8.794 260 2HD PRO 689 1HD PRO 689 -2.624 0.402 9.290 261 H SER 690 H SER 690 -1.385 2.435 6.301 262 HA SER 690 HA SER 690 0.080 3.514 4.801 263 1HB SER 690 2HB SER 690 -1.039 4.614 3.082 264 2HB SER 690 1HB SER 690 -2.374 3.739 3.825 265 HG SER 690 HG SER 690 -3.021 5.578 4.828 266 H ASN 691 H ASN 691 0.604 4.276 7.305 267 HA ASN 691 HA ASN 691 0.363 7.203 7.624 268 1HB ASN 691 2HB ASN 691 1.550 6.636 9.784 269 2HB ASN 691 1HB ASN 691 0.035 5.764 9.543 270 1HD2 ASN 691 1HD2 ASN 691 0.132 3.473 9.351 271 2HD2 ASN 691 2HD2 ASN 691 1.581 2.591 9.435 272 H VAL 692 H VAL 692 2.120 5.868 5.467 273 HA VAL 692 HA VAL 692 4.578 7.439 6.115 274 HB VAL 692 HB VAL 692 5.782 5.402 4.986 275 1HG1 VAL 692 1HG1 VAL 692 4.945 5.968 7.711 276 2HG1 VAL 692 2HG1 VAL 692 6.493 5.357 7.124 277 3HG1 VAL 692 3HG1 VAL 692 5.173 4.237 7.461 278 1HG2 VAL 692 1HG2 VAL 692 3.277 4.477 4.615 279 2HG2 VAL 692 2HG2 VAL 692 3.603 3.772 6.199 280 3HG2 VAL 692 3HG2 VAL 692 4.658 3.401 4.835 281 HA PRO 693 HA PRO 693 2.905 8.536 1.956 282 1HB PRO 693 2HB PRO 693 4.335 11.008 2.297 283 2HB PRO 693 1HB PRO 693 2.589 10.751 2.323 284 1HG PRO 693 2HG PRO 693 4.306 11.366 4.535 285 2HG PRO 693 1HG PRO 693 2.561 11.093 4.559 286 1HD PRO 693 2HD PRO 693 4.637 9.360 5.569 287 2HD PRO 693 1HD PRO 693 2.878 9.087 5.592 288 H ALA 694 H ALA 694 6.009 8.148 3.343 289 HA ALA 694 HA ALA 694 7.723 8.976 1.216 290 1HB ALA 694 1HB ALA 694 9.161 7.084 2.352 291 2HB ALA 694 2HB ALA 694 7.826 7.029 3.503 292 3HB ALA 694 3HB ALA 694 8.735 8.523 3.278 293 H LEU 695 H LEU 695 5.890 5.980 1.736 294 HA LEU 695 HA LEU 695 6.603 5.166 -1.051 295 1HB LEU 695 2HB LEU 695 6.872 2.829 -0.112 296 2HB LEU 695 1HB LEU 695 8.106 3.973 0.419 297 HG LEU 695 HG LEU 695 6.605 4.407 2.453 298 1HD1 LEU 695 1HD1 LEU 695 5.076 2.350 1.013 299 2HD1 LEU 695 2HD1 LEU 695 4.549 3.466 2.274 300 3HD1 LEU 695 3HD1 LEU 695 5.351 1.958 2.710 301 1HD2 LEU 695 1HD2 LEU 695 8.062 3.043 3.508 302 2HD2 LEU 695 2HD2 LEU 695 8.576 2.477 1.918 303 3HD2 LEU 695 3HD2 LEU 695 7.317 1.610 2.798 304 H TRP 696 H TRP 696 4.133 6.024 0.870 305 HA TRP 696 HA TRP 696 2.293 4.007 -0.364 306 1HB TRP 696 2HB TRP 696 2.715 4.877 2.436 307 2HB TRP 696 1HB TRP 696 1.029 4.734 1.941 308 HD1 TRP 696 HD TRP 696 2.998 2.738 3.837 309 HE1 TRP 696 1HE TRP 696 2.833 0.218 3.343 310 HE3 TRP 696 3HE TRP 696 0.935 2.883 -0.842 311 HZ2 TRP 696 2HZ TRP 696 1.950 -1.511 1.245 312 HZ3 TRP 696 3HZ TRP 696 0.447 0.785 -2.058 313 HH2 TRP 696 HH TRP 696 0.949 -1.410 -1.024 314 H GLN 697 H GLN 697 1.800 5.568 -2.057 315 HA GLN 697 HA GLN 697 0.489 8.101 -1.182 316 1HB GLN 697 2HB GLN 697 2.208 8.283 -2.888 317 2HB GLN 697 1HB GLN 697 1.457 7.004 -3.841 318 1HG GLN 697 2HG GLN 697 0.646 8.897 -4.927 319 2HG GLN 697 1HG GLN 697 -0.647 8.593 -3.766 320 1HE2 GLN 697 1HE2 GLN 697 2.202 10.646 -4.389 321 2HE2 GLN 697 2HE2 GLN 697 1.771 11.864 -3.287 322 H LEU 698 H LEU 698 -1.708 7.880 -0.853 323 HA LEU 698 HA LEU 698 -3.184 5.723 -2.223 324 1HB LEU 698 2HB LEU 698 -4.807 6.117 -0.562 325 2HB LEU 698 1HB LEU 698 -3.302 6.523 0.259 326 HG LEU 698 HG LEU 698 -3.948 8.914 -0.920 327 1HD1 LEU 698 1HD1 LEU 698 -6.408 7.300 -0.570 328 2HD1 LEU 698 2HD1 LEU 698 -6.108 8.681 -1.625 329 3HD1 LEU 698 3HD1 LEU 698 -6.479 8.938 0.080 330 1HD2 LEU 698 1HD2 LEU 698 -5.001 8.073 1.787 331 2HD2 LEU 698 2HD2 LEU 698 -4.399 9.658 1.301 332 3HD2 LEU 698 3HD2 LEU 698 -3.281 8.306 1.480 333 H GLN 699 H GLN 699 -5.609 6.612 -2.743 334 HA GLN 699 HA GLN 699 -5.616 9.209 -4.122 335 1HB GLN 699 2HB GLN 699 -5.999 8.114 -6.349 336 2HB GLN 699 1HB GLN 699 -4.390 7.805 -5.697 337 1HG GLN 699 2HG GLN 699 -5.475 5.673 -4.662 338 2HG GLN 699 1HG GLN 699 -6.747 5.940 -5.855 339 1HE2 GLN 699 1HE2 GLN 699 -3.155 6.307 -6.022 340 2HE2 GLN 699 2HE2 GLN 699 -2.976 5.326 -7.396 Start of MODEL 10 1 HA ALA 655 HA ALA 655 -7.312 -5.465 -2.307 2 1HB ALA 655 1HB ALA 655 -6.845 -7.955 -2.498 3 2HB ALA 655 2HB ALA 655 -6.111 -7.620 -4.068 4 3HB ALA 655 3HB ALA 655 -7.824 -7.288 -3.805 5 H TRP 656 H TRP 656 -5.857 -4.413 -0.890 6 HA TRP 656 HA TRP 656 -3.004 -4.942 -0.864 7 1HB TRP 656 2HB TRP 656 -3.950 -2.844 -0.077 8 2HB TRP 656 1HB TRP 656 -4.946 -3.694 1.105 9 HD1 TRP 656 HD TRP 656 -1.200 -3.221 0.270 10 HE1 TRP 656 1HE TRP 656 0.127 -3.270 2.479 11 HE3 TRP 656 3HE TRP 656 -4.988 -4.197 3.551 12 HZ2 TRP 656 2HZ TRP 656 -0.355 -3.670 5.270 13 HZ3 TRP 656 3HZ TRP 656 -4.527 -4.406 5.976 14 HH2 TRP 656 HH TRP 656 -2.217 -4.144 6.840 15 H GLN 657 H GLN 657 -1.889 -6.463 0.356 16 HA GLN 657 HA GLN 657 -3.500 -8.185 2.214 17 1HB GLN 657 2HB GLN 657 -1.193 -9.086 0.474 18 2HB GLN 657 1HB GLN 657 -2.388 -10.092 1.291 19 1HG GLN 657 2HG GLN 657 -3.851 -8.303 -0.340 20 2HG GLN 657 1HG GLN 657 -2.525 -8.906 -1.335 21 1HE2 GLN 657 1HE2 GLN 657 -4.812 -9.867 -2.271 22 2HE2 GLN 657 2HE2 GLN 657 -5.142 -11.447 -1.745 23 H VAL 658 H VAL 658 -2.606 -8.358 4.243 24 HA VAL 658 HA VAL 658 -0.220 -6.893 4.964 25 HB VAL 658 HB VAL 658 -0.722 -7.759 7.169 26 1HG1 VAL 658 1HG1 VAL 658 -2.745 -6.687 5.415 27 2HG1 VAL 658 2HG1 VAL 658 -2.518 -6.402 7.142 28 3HG1 VAL 658 3HG1 VAL 658 -3.495 -7.764 6.593 29 1HG2 VAL 658 1HG2 VAL 658 -2.494 -9.592 7.351 30 2HG2 VAL 658 2HG2 VAL 658 -0.919 -10.106 6.748 31 3HG2 VAL 658 3HG2 VAL 658 -2.256 -9.862 5.625 32 H ASN 659 H ASN 659 1.671 -8.011 6.084 33 HA ASN 659 HA ASN 659 3.528 -9.468 5.859 34 1HB ASN 659 2HB ASN 659 1.163 -10.817 6.585 35 2HB ASN 659 1HB ASN 659 1.924 -11.838 5.364 36 1HD2 ASN 659 1HD2 ASN 659 3.593 -13.168 6.099 37 2HD2 ASN 659 2HD2 ASN 659 4.422 -12.960 7.565 38 H THR 660 H THR 660 3.035 -8.174 3.465 39 HA THR 660 HA THR 660 3.491 -10.354 1.458 40 HB THR 660 HB THR 660 1.773 -7.860 1.257 41 HG1 THR 660 1HG THR 660 0.983 -9.836 2.304 42 1HG2 THR 660 1HG2 THR 660 2.475 -9.926 -0.846 43 2HG2 THR 660 2HG2 THR 660 2.967 -8.232 -0.849 44 3HG2 THR 660 3HG2 THR 660 1.266 -8.658 -1.036 45 H ALA 661 H ALA 661 4.572 -9.430 -0.559 46 HA ALA 661 HA ALA 661 6.481 -7.244 0.205 47 1HB ALA 661 1HB ALA 661 7.422 -9.535 -0.008 48 2HB ALA 661 2HB ALA 661 8.071 -8.453 -1.241 49 3HB ALA 661 3HB ALA 661 6.814 -9.617 -1.662 50 H TYR 662 H TYR 662 5.651 -5.427 -0.829 51 HA TYR 662 HA TYR 662 4.623 -5.712 -3.615 52 1HB TYR 662 2HB TYR 662 4.445 -3.624 -1.434 53 2HB TYR 662 1HB TYR 662 3.892 -3.302 -3.079 54 HD1 TYR 662 1HD TYR 662 2.824 -4.365 0.062 55 HD2 TYR 662 2HD TYR 662 2.445 -5.366 -4.097 56 HE1 TYR 662 1HE TYR 662 0.700 -5.552 0.542 57 HE2 TYR 662 2HE TYR 662 0.320 -6.553 -3.618 58 HH TYR 662 HH TYR 662 -1.082 -7.242 -2.041 59 H THR 663 H THR 663 5.422 -4.245 -5.270 60 HA THR 663 HA THR 663 8.273 -3.479 -4.849 61 HB THR 663 HB THR 663 8.251 -3.450 -7.354 62 HG1 THR 663 1HG THR 663 5.650 -4.511 -7.154 63 1HG2 THR 663 1HG2 THR 663 7.352 -5.833 -5.771 64 2HG2 THR 663 2HG2 THR 663 8.902 -5.537 -6.560 65 3HG2 THR 663 3HG2 THR 663 7.489 -5.966 -7.525 66 H ALA 664 H ALA 664 8.698 -1.498 -6.599 67 HA ALA 664 HA ALA 664 7.322 0.802 -5.411 68 1HB ALA 664 1HB ALA 664 9.731 0.163 -6.904 69 2HB ALA 664 2HB ALA 664 9.407 1.552 -5.868 70 3HB ALA 664 3HB ALA 664 8.944 1.594 -7.570 71 H GLY 665 H GLY 665 5.475 1.685 -6.268 72 1HA GLY 665 2HA GLY 665 4.118 2.580 -8.028 73 2HA GLY 665 1HA GLY 665 5.081 1.675 -9.197 74 H GLN 666 H GLN 666 3.817 0.127 -6.323 75 HA GLN 666 HA GLN 666 2.284 -1.740 -8.022 76 1HB GLN 666 2HB GLN 666 3.696 -1.771 -5.558 77 2HB GLN 666 1HB GLN 666 2.014 -2.144 -5.179 78 1HG GLN 666 2HG GLN 666 3.326 -3.495 -7.517 79 2HG GLN 666 1HG GLN 666 3.648 -4.083 -5.885 80 1HE2 GLN 666 1HE2 GLN 666 2.148 -5.581 -7.900 81 2HE2 GLN 666 2HE2 GLN 666 0.568 -5.771 -7.307 82 H LEU 667 H LEU 667 0.017 -2.357 -7.106 83 HA LEU 667 HA LEU 667 -1.417 0.110 -6.178 84 1HB LEU 667 2HB LEU 667 -1.465 -1.042 -8.711 85 2HB LEU 667 1HB LEU 667 -2.927 -1.667 -7.947 86 HG LEU 667 HG LEU 667 -2.279 1.247 -7.668 87 1HD1 LEU 667 1HD1 LEU 667 -3.905 1.344 -9.793 88 2HD1 LEU 667 2HD1 LEU 667 -3.096 -0.180 -10.160 89 3HD1 LEU 667 3HD1 LEU 667 -2.152 1.298 -9.970 90 1HD2 LEU 667 1HD2 LEU 667 -4.509 -0.577 -7.210 91 2HD2 LEU 667 2HD2 LEU 667 -4.992 0.817 -8.178 92 3HD2 LEU 667 3HD2 LEU 667 -4.257 1.055 -6.593 93 H VAL 668 H VAL 668 -2.638 -0.291 -4.385 94 HA VAL 668 HA VAL 668 -3.652 -3.072 -3.923 95 HB VAL 668 HB VAL 668 -2.828 -2.999 -1.679 96 1HG1 VAL 668 1HG1 VAL 668 -0.580 -3.132 -2.106 97 2HG1 VAL 668 2HG1 VAL 668 -0.537 -1.568 -2.922 98 3HG1 VAL 668 3HG1 VAL 668 -1.131 -2.993 -3.775 99 1HG2 VAL 668 1HG2 VAL 668 -3.398 -0.813 -0.950 100 2HG2 VAL 668 2HG2 VAL 668 -2.470 -0.053 -2.241 101 3HG2 VAL 668 3HG2 VAL 668 -1.635 -0.840 -0.902 102 H THR 669 H THR 669 -5.380 -2.992 -2.109 103 HA THR 669 HA THR 669 -6.812 -0.373 -2.041 104 HB THR 669 HB THR 669 -8.914 -1.766 -2.528 105 HG1 THR 669 1HG THR 669 -8.200 -3.679 -3.838 106 1HG2 THR 669 1HG2 THR 669 -8.661 -1.489 -4.862 107 2HG2 THR 669 2HG2 THR 669 -6.926 -1.803 -4.795 108 3HG2 THR 669 3HG2 THR 669 -7.574 -0.289 -4.163 109 H TYR 670 H TYR 670 -7.150 0.047 0.123 110 HA TYR 670 HA TYR 670 -7.170 -2.188 2.058 111 1HB TYR 670 2HB TYR 670 -7.234 0.836 2.245 112 2HB TYR 670 1HB TYR 670 -7.265 -0.214 3.663 113 HD1 TYR 670 1HD TYR 670 -5.289 -1.339 4.428 114 HD2 TYR 670 2HD TYR 670 -5.282 0.752 0.678 115 HE1 TYR 670 1HE TYR 670 -2.825 -1.586 4.293 116 HE2 TYR 670 2HE TYR 670 -2.818 0.513 0.548 117 HH TYR 670 HH TYR 670 -0.929 -0.489 3.207 118 H ASN 671 H ASN 671 -9.263 -3.082 1.258 119 HA ASN 671 HA ASN 671 -11.622 -3.292 1.307 120 1HB ASN 671 2HB ASN 671 -10.845 -1.933 3.898 121 2HB ASN 671 1HB ASN 671 -12.467 -2.560 3.603 122 1HD2 ASN 671 1HD2 ASN 671 -12.723 -4.640 4.414 123 2HD2 ASN 671 2HD2 ASN 671 -11.500 -5.814 4.497 124 H GLY 672 H GLY 672 -11.958 -1.737 -0.494 125 1HA GLY 672 2HA GLY 672 -13.390 -0.028 -1.300 126 2HA GLY 672 1HA GLY 672 -13.644 0.503 0.361 127 H LYS 673 H LYS 673 -10.489 0.394 0.479 128 HA LYS 673 HA LYS 673 -10.180 3.215 -0.431 129 1HB LYS 673 2HB LYS 673 -8.877 1.375 1.557 130 2HB LYS 673 1HB LYS 673 -8.004 2.804 1.001 131 1HG LYS 673 2HG LYS 673 -10.825 2.904 2.100 132 2HG LYS 673 1HG LYS 673 -9.391 3.158 3.094 133 1HD LYS 673 2HD LYS 673 -8.737 5.079 1.789 134 2HD LYS 673 1HD LYS 673 -9.999 4.762 0.596 135 1HE LYS 673 2HE LYS 673 -11.571 5.820 1.851 136 2HE LYS 673 1HE LYS 673 -11.063 4.974 3.326 137 1HZ LYS 673 1HZ LYS 673 -10.575 7.566 2.866 138 2HZ LYS 673 2HZ LYS 673 -9.149 6.871 2.260 139 3HZ LYS 673 3HZ LYS 673 -9.617 6.590 3.868 140 H THR 674 H THR 674 -8.273 3.802 -1.674 141 HA THR 674 HA THR 674 -7.032 1.501 -3.153 142 HB THR 674 HB THR 674 -7.460 4.241 -4.321 143 HG1 THR 674 1HG THR 674 -9.484 3.183 -5.120 144 1HG2 THR 674 1HG2 THR 674 -6.191 2.140 -5.331 145 2HG2 THR 674 2HG2 THR 674 -7.199 3.164 -6.354 146 3HG2 THR 674 3HG2 THR 674 -7.830 1.635 -5.743 147 H TYR 675 H TYR 675 -4.818 1.490 -3.090 148 HA TYR 675 HA TYR 675 -3.402 4.043 -2.402 149 1HB TYR 675 2HB TYR 675 -3.301 1.289 -1.210 150 2HB TYR 675 1HB TYR 675 -1.848 2.289 -1.174 151 HD1 TYR 675 1HD TYR 675 -5.500 2.376 -0.356 152 HD2 TYR 675 2HD TYR 675 -1.584 3.927 0.483 153 HE1 TYR 675 1HE TYR 675 -6.413 3.632 1.576 154 HE2 TYR 675 2HE TYR 675 -2.498 5.185 2.411 155 HH TYR 675 HH TYR 675 -5.805 5.663 2.898 156 H LYS 676 H LYS 676 -1.016 3.875 -3.016 157 HA LYS 676 HA LYS 676 -0.553 1.987 -5.292 158 1HB LYS 676 2HB LYS 676 -0.941 4.882 -5.284 159 2HB LYS 676 1HB LYS 676 0.586 4.424 -6.037 160 1HG LYS 676 2HG LYS 676 -0.843 4.243 -7.855 161 2HG LYS 676 1HG LYS 676 -0.928 2.599 -7.222 162 1HD LYS 676 2HD LYS 676 -3.026 2.953 -6.228 163 2HD LYS 676 1HD LYS 676 -2.839 4.706 -6.240 164 1HE LYS 676 2HE LYS 676 -2.772 4.412 -8.854 165 2HE LYS 676 1HE LYS 676 -3.586 2.874 -8.503 166 1HZ LYS 676 1HZ LYS 676 -5.024 4.280 -6.944 167 2HZ LYS 676 2HZ LYS 676 -5.330 4.392 -8.611 168 3HZ LYS 676 3HZ LYS 676 -4.455 5.614 -7.820 169 H CYS 677 H CYS 677 1.094 0.819 -4.239 170 HA CYS 677 HA CYS 677 3.073 1.811 -2.486 171 1HB CYS 677 2HB CYS 677 2.368 -0.581 -3.690 172 2HB CYS 677 1HB CYS 677 3.966 -0.264 -4.367 173 HG CYS 677 HG CYS 677 4.811 -1.127 -2.202 174 H LEU 678 H LEU 678 5.175 2.652 -2.849 175 HA LEU 678 HA LEU 678 5.802 3.429 -5.679 176 1HB LEU 678 2HB LEU 678 4.874 5.248 -4.212 177 2HB LEU 678 1HB LEU 678 6.258 5.028 -3.142 178 HG LEU 678 HG LEU 678 7.237 5.260 -5.817 179 1HD1 LEU 678 1HD1 LEU 678 5.411 6.468 -6.616 180 2HD1 LEU 678 2HD1 LEU 678 6.428 7.763 -5.986 181 3HD1 LEU 678 3HD1 LEU 678 5.060 7.176 -5.040 182 1HD2 LEU 678 1HD2 LEU 678 8.453 5.839 -3.748 183 2HD2 LEU 678 2HD2 LEU 678 7.318 7.153 -3.442 184 3HD2 LEU 678 3HD2 LEU 678 8.392 7.222 -4.840 185 H GLN 679 H GLN 679 6.831 1.747 -2.937 186 HA GLN 679 HA GLN 679 9.621 1.689 -3.986 187 1HB GLN 679 2HB GLN 679 8.765 3.146 -1.746 188 2HB GLN 679 1HB GLN 679 9.523 1.699 -1.080 189 1HG GLN 679 2HG GLN 679 11.567 2.121 -2.280 190 2HG GLN 679 1HG GLN 679 10.817 3.421 -3.208 191 1HE2 GLN 679 1HE2 GLN 679 13.045 3.170 -0.913 192 2HE2 GLN 679 2HE2 GLN 679 12.667 4.497 0.076 193 HA PRO 680 HA PRO 680 9.058 -2.658 -3.362 194 1HB PRO 680 2HB PRO 680 11.873 -3.050 -2.924 195 2HB PRO 680 1HB PRO 680 10.951 -3.344 -4.400 196 1HG PRO 680 2HG PRO 680 12.854 -1.263 -3.917 197 2HG PRO 680 1HG PRO 680 11.891 -1.531 -5.373 198 1HD PRO 680 2HD PRO 680 11.580 0.555 -3.385 199 2HD PRO 680 1HD PRO 680 10.653 0.320 -4.889 200 H HIS 681 H HIS 681 8.034 -2.604 -1.266 201 HA HIS 681 HA HIS 681 9.893 -3.180 1.005 202 1HB HIS 681 2HB HIS 681 7.647 -1.165 0.811 203 2HB HIS 681 1HB HIS 681 8.215 -1.763 2.368 204 HD1 HIS 681 1HD HIS 681 11.264 -1.934 0.993 205 HD2 HIS 681 2HD HIS 681 8.827 1.400 1.565 206 HE1 HIS 681 1HE HIS 681 12.797 0.080 1.004 207 H THR 682 H THR 682 8.339 -3.944 2.953 208 HA THR 682 HA THR 682 6.368 -5.867 1.758 209 HB THR 682 HB THR 682 8.211 -6.051 4.161 210 HG1 THR 682 1HG THR 682 8.671 -8.017 2.658 211 1HG2 THR 682 1HG2 THR 682 7.034 -7.822 4.927 212 2HG2 THR 682 2HG2 THR 682 6.811 -8.476 3.305 213 3HG2 THR 682 3HG2 THR 682 5.720 -7.230 3.911 214 H SER 683 H SER 683 4.289 -5.709 2.513 215 HA SER 683 HA SER 683 3.627 -3.665 4.518 216 1HB SER 683 2HB SER 683 2.328 -5.287 2.442 217 2HB SER 683 1HB SER 683 1.332 -5.086 3.881 218 HG SER 683 HG SER 683 2.164 -3.241 2.003 219 H LEU 684 H LEU 684 2.667 -4.117 6.561 220 HA LEU 684 HA LEU 684 2.455 -6.956 7.412 221 1HB LEU 684 2HB LEU 684 4.115 -6.762 9.066 222 2HB LEU 684 1HB LEU 684 4.812 -5.861 7.722 223 HG LEU 684 HG LEU 684 3.373 -4.716 10.132 224 1HD1 LEU 684 1HD1 LEU 684 5.528 -4.952 10.882 225 2HD1 LEU 684 2HD1 LEU 684 5.750 -3.448 9.987 226 3HD1 LEU 684 3HD1 LEU 684 6.201 -4.986 9.252 227 1HD2 LEU 684 1HD2 LEU 684 2.703 -3.374 8.270 228 2HD2 LEU 684 2HD2 LEU 684 4.315 -3.434 7.557 229 3HD2 LEU 684 3HD2 LEU 684 4.036 -2.505 9.031 230 H ALA 685 H ALA 685 1.850 -6.787 9.977 231 HA ALA 685 HA ALA 685 -0.727 -5.511 10.086 232 1HB ALA 685 1HB ALA 685 1.105 -7.061 11.843 233 2HB ALA 685 2HB ALA 685 -0.606 -7.321 11.499 234 3HB ALA 685 3HB ALA 685 -0.118 -6.091 12.666 235 H GLY 686 H GLY 686 -0.075 -3.245 9.538 236 1HA GLY 686 2HA GLY 686 -0.136 -1.442 11.623 237 2HA GLY 686 1HA GLY 686 1.586 -1.767 11.426 238 H TRP 687 H TRP 687 1.273 -2.195 8.490 239 HA TRP 687 HA TRP 687 1.460 0.644 7.713 240 1HB TRP 687 2HB TRP 687 2.014 -2.048 6.478 241 2HB TRP 687 1HB TRP 687 2.006 -0.598 5.474 242 HD1 TRP 687 HD TRP 687 3.107 0.173 8.910 243 HE1 TRP 687 1HE TRP 687 5.668 0.453 9.003 244 HE3 TRP 687 3HE TRP 687 4.365 -1.704 4.331 245 HZ2 TRP 687 2HZ TRP 687 7.950 -0.054 7.352 246 HZ3 TRP 687 3HZ TRP 687 6.736 -1.795 3.617 247 HH2 TRP 687 HH TRP 687 8.529 -0.973 5.121 248 H GLU 688 H GLU 688 -1.216 -0.448 8.446 249 HA GLU 688 HA GLU 688 -2.643 -0.662 5.873 250 1HB GLU 688 2HB GLU 688 -4.105 -0.424 8.459 251 2HB GLU 688 1HB GLU 688 -4.355 -1.544 7.127 252 1HG GLU 688 2HG GLU 688 -2.071 -2.565 7.850 253 2HG GLU 688 1HG GLU 688 -2.354 -1.715 9.368 254 HA PRO 689 HA PRO 689 -4.493 3.450 7.596 255 1HB PRO 689 2HB PRO 689 -2.590 4.574 9.438 256 2HB PRO 689 1HB PRO 689 -4.241 4.040 9.771 257 1HG PRO 689 2HG PRO 689 -1.845 2.810 10.659 258 2HG PRO 689 1HG PRO 689 -3.487 2.182 10.826 259 1HD PRO 689 2HD PRO 689 -1.355 1.295 9.020 260 2HD PRO 689 1HD PRO 689 -2.899 0.499 9.403 261 H SER 690 H SER 690 -1.364 2.690 6.583 262 HA SER 690 HA SER 690 0.042 3.753 5.008 263 1HB SER 690 2HB SER 690 -1.049 5.187 3.578 264 2HB SER 690 1HB SER 690 -2.456 4.568 4.434 265 HG SER 690 HG SER 690 -1.129 7.029 4.671 266 H ASN 691 H ASN 691 0.928 3.991 7.522 267 HA ASN 691 HA ASN 691 1.151 6.760 8.439 268 1HB ASN 691 2HB ASN 691 2.717 4.278 9.206 269 2HB ASN 691 1HB ASN 691 2.515 5.738 10.175 270 1HD2 ASN 691 1HD2 ASN 691 1.629 2.853 10.685 271 2HD2 ASN 691 2HD2 ASN 691 -0.030 2.976 11.018 272 H VAL 692 H VAL 692 2.802 4.818 6.134 273 HA VAL 692 HA VAL 692 5.155 6.678 6.198 274 HB VAL 692 HB VAL 692 6.303 4.735 5.052 275 1HG1 VAL 692 1HG1 VAL 692 6.305 5.181 7.561 276 2HG1 VAL 692 2HG1 VAL 692 6.642 3.516 7.085 277 3HG1 VAL 692 3HG1 VAL 692 5.045 3.954 7.691 278 1HG2 VAL 692 1HG2 VAL 692 5.193 2.555 5.099 279 2HG2 VAL 692 2HG2 VAL 692 4.207 3.690 4.181 280 3HG2 VAL 692 3HG2 VAL 692 3.759 3.271 5.833 281 HA PRO 693 HA PRO 693 2.617 7.533 2.369 282 1HB PRO 693 2HB PRO 693 3.649 10.212 2.577 283 2HB PRO 693 1HB PRO 693 1.987 9.665 2.815 284 1HG PRO 693 2HG PRO 693 3.874 10.531 4.811 285 2HG PRO 693 1HG PRO 693 2.194 10.038 5.038 286 1HD PRO 693 2HD PRO 693 4.549 8.599 5.815 287 2HD PRO 693 1HD PRO 693 2.859 8.054 5.945 288 H ALA 694 H ALA 694 5.923 7.989 3.383 289 HA ALA 694 HA ALA 694 7.207 8.924 1.070 290 1HB ALA 694 1HB ALA 694 8.764 6.822 2.152 291 2HB ALA 694 2HB ALA 694 7.810 7.461 3.492 292 3HB ALA 694 3HB ALA 694 8.859 8.535 2.563 293 H LEU 695 H LEU 695 6.235 5.571 1.850 294 HA LEU 695 HA LEU 695 6.815 4.843 -0.992 295 1HB LEU 695 2HB LEU 695 7.686 2.914 -0.162 296 2HB LEU 695 1HB LEU 695 7.700 3.759 1.377 297 HG LEU 695 HG LEU 695 6.676 1.618 1.741 298 1HD1 LEU 695 1HD1 LEU 695 5.374 4.006 2.294 299 2HD1 LEU 695 2HD1 LEU 695 5.016 2.440 3.014 300 3HD1 LEU 695 3HD1 LEU 695 4.109 2.991 1.607 301 1HD2 LEU 695 1HD2 LEU 695 4.329 1.821 0.070 302 2HD2 LEU 695 2HD2 LEU 695 5.536 0.536 0.137 303 3HD2 LEU 695 3HD2 LEU 695 5.786 1.928 -0.918 304 H TRP 696 H TRP 696 4.278 5.430 1.213 305 HA TRP 696 HA TRP 696 2.354 3.720 -0.291 306 1HB TRP 696 2HB TRP 696 2.542 5.032 2.370 307 2HB TRP 696 1HB TRP 696 0.926 4.952 1.668 308 HD1 TRP 696 HD TRP 696 2.432 3.165 4.127 309 HE1 TRP 696 1HE TRP 696 2.041 0.621 4.046 310 HE3 TRP 696 3HE TRP 696 0.927 2.650 -0.734 311 HZ2 TRP 696 2HZ TRP 696 1.203 -1.370 2.176 312 HZ3 TRP 696 3HZ TRP 696 0.341 0.419 -1.632 313 HH2 TRP 696 HH TRP 696 0.475 -1.591 -0.187 314 H GLN 697 H GLN 697 1.693 4.780 -2.153 315 HA GLN 697 HA GLN 697 1.200 7.722 -2.030 316 1HB GLN 697 2HB GLN 697 2.691 6.649 -3.765 317 2HB GLN 697 1HB GLN 697 1.265 5.824 -4.396 318 1HG GLN 697 2HG GLN 697 1.066 7.670 -5.712 319 2HG GLN 697 1HG GLN 697 0.362 8.399 -4.269 320 1HE2 GLN 697 1HE2 GLN 697 1.689 10.075 -6.101 321 2HE2 GLN 697 2HE2 GLN 697 3.148 10.613 -5.421 322 H LEU 698 H LEU 698 -0.863 7.445 -0.842 323 HA LEU 698 HA LEU 698 -3.046 5.846 -1.695 324 1HB LEU 698 2HB LEU 698 -3.076 6.902 0.445 325 2HB LEU 698 1HB LEU 698 -2.772 8.493 -0.253 326 HG LEU 698 HG LEU 698 -5.015 8.236 -1.459 327 1HD1 LEU 698 1HD1 LEU 698 -6.426 6.491 -0.962 328 2HD1 LEU 698 2HD1 LEU 698 -5.799 6.314 0.677 329 3HD1 LEU 698 3HD1 LEU 698 -4.896 5.660 -0.689 330 1HD2 LEU 698 1HD2 LEU 698 -4.939 8.331 1.573 331 2HD2 LEU 698 2HD2 LEU 698 -6.295 8.873 0.584 332 3HD2 LEU 698 3HD2 LEU 698 -4.742 9.703 0.483 333 H GLN 699 H GLN 699 -4.874 6.372 -3.028 334 HA GLN 699 HA GLN 699 -4.632 8.800 -4.751 335 1HB GLN 699 2HB GLN 699 -4.662 5.888 -5.554 336 2HB GLN 699 1HB GLN 699 -5.176 7.147 -6.678 337 1HG GLN 699 2HG GLN 699 -2.492 7.060 -5.271 338 2HG GLN 699 1HG GLN 699 -2.772 6.601 -6.951 339 1HE2 GLN 699 1HE2 GLN 699 -1.754 9.172 -5.070 340 2HE2 GLN 699 2HE2 GLN 699 -2.129 10.446 -6.127 Start of MODEL 11 1 HA ALA 655 HA ALA 655 -7.184 -5.679 -2.130 2 1HB ALA 655 1HB ALA 655 -7.766 -7.781 -2.714 3 2HB ALA 655 2HB ALA 655 -6.086 -8.282 -2.513 4 3HB ALA 655 3HB ALA 655 -6.657 -7.720 -4.084 5 H TRP 656 H TRP 656 -5.606 -4.417 -0.933 6 HA TRP 656 HA TRP 656 -2.836 -5.114 -0.677 7 1HB TRP 656 2HB TRP 656 -3.831 -2.932 -0.096 8 2HB TRP 656 1HB TRP 656 -4.750 -3.691 1.204 9 HD1 TRP 656 HD TRP 656 -1.131 -2.931 0.165 10 HE1 TRP 656 1HE TRP 656 0.338 -2.894 2.283 11 HE3 TRP 656 3HE TRP 656 -4.560 -4.422 3.645 12 HZ2 TRP 656 2HZ TRP 656 0.093 -3.425 5.082 13 HZ3 TRP 656 3HZ TRP 656 -3.915 -4.646 6.027 14 HH2 TRP 656 HH TRP 656 -1.596 -4.150 6.748 15 H GLN 657 H GLN 657 -2.092 -7.013 0.194 16 HA GLN 657 HA GLN 657 -3.734 -8.384 2.283 17 1HB GLN 657 2HB GLN 657 -1.784 -9.153 0.157 18 2HB GLN 657 1HB GLN 657 -1.830 -10.160 1.604 19 1HG GLN 657 2HG GLN 657 -4.526 -9.603 0.844 20 2HG GLN 657 1HG GLN 657 -3.660 -10.147 -0.594 21 1HE2 GLN 657 1HE2 GLN 657 -4.665 -12.271 -0.605 22 2HE2 GLN 657 2HE2 GLN 657 -4.316 -13.432 0.583 23 H VAL 658 H VAL 658 -3.041 -8.155 4.377 24 HA VAL 658 HA VAL 658 -0.715 -6.750 5.187 25 HB VAL 658 HB VAL 658 -2.290 -8.914 6.615 26 1HG1 VAL 658 1HG1 VAL 658 -0.962 -8.506 8.381 27 2HG1 VAL 658 2HG1 VAL 658 -1.384 -6.795 8.309 28 3HG1 VAL 658 3HG1 VAL 658 -0.002 -7.402 7.397 29 1HG2 VAL 658 1HG2 VAL 658 -3.904 -7.341 7.101 30 2HG2 VAL 658 2HG2 VAL 658 -3.375 -6.704 5.544 31 3HG2 VAL 658 3HG2 VAL 658 -2.762 -5.999 7.040 32 H ASN 659 H ASN 659 1.359 -7.470 5.837 33 HA ASN 659 HA ASN 659 3.248 -8.891 5.880 34 1HB ASN 659 2HB ASN 659 1.290 -10.135 7.192 35 2HB ASN 659 1HB ASN 659 1.400 -11.249 5.828 36 1HD2 ASN 659 1HD2 ASN 659 2.849 -12.926 6.203 37 2HD2 ASN 659 2HD2 ASN 659 4.238 -12.821 7.172 38 H THR 660 H THR 660 2.562 -7.992 3.353 39 HA THR 660 HA THR 660 3.146 -10.392 1.657 40 HB THR 660 HB THR 660 1.143 -8.157 1.217 41 HG1 THR 660 1HG THR 660 0.103 -9.673 2.290 42 1HG2 THR 660 1HG2 THR 660 1.701 -8.418 -0.970 43 2HG2 THR 660 2HG2 THR 660 0.776 -9.914 -0.842 44 3HG2 THR 660 3HG2 THR 660 2.532 -9.945 -0.674 45 H ALA 661 H ALA 661 4.886 -10.034 0.317 46 HA ALA 661 HA ALA 661 6.379 -7.566 0.428 47 1HB ALA 661 1HB ALA 661 6.467 -10.025 -1.344 48 2HB ALA 661 2HB ALA 661 7.457 -9.703 0.080 49 3HB ALA 661 3HB ALA 661 7.690 -8.755 -1.390 50 H TYR 662 H TYR 662 6.447 -5.871 -1.056 51 HA TYR 662 HA TYR 662 4.706 -6.068 -3.485 52 1HB TYR 662 2HB TYR 662 4.639 -4.179 -1.159 53 2HB TYR 662 1HB TYR 662 4.223 -3.551 -2.753 54 HD1 TYR 662 1HD TYR 662 2.689 -5.362 -4.150 55 HD2 TYR 662 2HD TYR 662 2.830 -4.885 0.117 56 HE1 TYR 662 1HE TYR 662 0.432 -6.374 -3.962 57 HE2 TYR 662 2HE TYR 662 0.573 -5.898 0.305 58 HH TYR 662 HH TYR 662 -1.292 -6.778 -2.586 59 H THR 663 H THR 663 5.307 -4.434 -5.136 60 HA THR 663 HA THR 663 8.193 -3.660 -4.922 61 HB THR 663 HB THR 663 7.771 -3.566 -7.523 62 HG1 THR 663 1HG THR 663 5.817 -5.461 -6.855 63 1HG2 THR 663 1HG2 THR 663 9.218 -5.255 -6.977 64 2HG2 THR 663 2HG2 THR 663 7.820 -6.256 -7.368 65 3HG2 THR 663 3HG2 THR 663 8.182 -5.865 -5.687 66 H ALA 664 H ALA 664 8.527 -1.696 -6.641 67 HA ALA 664 HA ALA 664 7.023 0.551 -5.527 68 1HB ALA 664 1HB ALA 664 8.607 1.330 -7.743 69 2HB ALA 664 2HB ALA 664 9.476 0.015 -6.950 70 3HB ALA 664 3HB ALA 664 9.026 1.455 -6.035 71 H GLY 665 H GLY 665 5.838 2.100 -6.895 72 1HA GLY 665 2HA GLY 665 4.229 2.634 -8.515 73 2HA GLY 665 1HA GLY 665 5.155 1.617 -9.621 74 H GLN 666 H GLN 666 4.040 0.149 -6.697 75 HA GLN 666 HA GLN 666 2.366 -1.716 -8.221 76 1HB GLN 666 2HB GLN 666 3.806 -1.595 -5.760 77 2HB GLN 666 1HB GLN 666 2.126 -1.967 -5.373 78 1HG GLN 666 2HG GLN 666 3.842 -3.444 -7.392 79 2HG GLN 666 1HG GLN 666 3.399 -4.035 -5.790 80 1HE2 GLN 666 1HE2 GLN 666 1.513 -5.268 -5.703 81 2HE2 GLN 666 2HE2 GLN 666 0.301 -5.274 -6.891 82 H LEU 667 H LEU 667 0.141 -2.253 -7.036 83 HA LEU 667 HA LEU 667 -1.240 0.256 -6.193 84 1HB LEU 667 2HB LEU 667 -1.309 -0.297 -8.735 85 2HB LEU 667 1HB LEU 667 -2.403 -1.600 -8.269 86 HG LEU 667 HG LEU 667 -2.819 1.294 -7.477 87 1HD1 LEU 667 1HD1 LEU 667 -4.515 -0.074 -9.524 88 2HD1 LEU 667 2HD1 LEU 667 -2.936 0.525 -10.033 89 3HD1 LEU 667 3HD1 LEU 667 -4.124 1.638 -9.352 90 1HD2 LEU 667 1HD2 LEU 667 -4.275 0.280 -6.065 91 2HD2 LEU 667 2HD2 LEU 667 -4.115 -1.271 -6.887 92 3HD2 LEU 667 3HD2 LEU 667 -5.239 -0.061 -7.502 93 H VAL 668 H VAL 668 -1.810 -0.471 -4.139 94 HA VAL 668 HA VAL 668 -3.162 -3.138 -3.932 95 HB VAL 668 HB VAL 668 -2.374 -3.154 -1.675 96 1HG1 VAL 668 1HG1 VAL 668 -0.192 -3.428 -2.201 97 2HG1 VAL 668 2HG1 VAL 668 -0.001 -1.725 -2.620 98 3HG1 VAL 668 3HG1 VAL 668 -0.627 -2.862 -3.814 99 1HG2 VAL 668 1HG2 VAL 668 -1.470 -1.184 -0.556 100 2HG2 VAL 668 2HG2 VAL 668 -3.067 -0.792 -1.193 101 3HG2 VAL 668 3HG2 VAL 668 -1.620 -0.235 -2.034 102 H THR 669 H THR 669 -4.938 -3.117 -2.153 103 HA THR 669 HA THR 669 -6.350 -0.483 -2.040 104 HB THR 669 HB THR 669 -8.448 -1.952 -2.558 105 HG1 THR 669 1HG THR 669 -6.744 -3.814 -2.502 106 1HG2 THR 669 1HG2 THR 669 -8.353 -0.941 -4.570 107 2HG2 THR 669 2HG2 THR 669 -6.938 -1.878 -5.050 108 3HG2 THR 669 3HG2 THR 669 -6.740 -0.396 -4.113 109 H TYR 670 H TYR 670 -6.628 -0.127 0.121 110 HA TYR 670 HA TYR 670 -6.729 -2.355 2.038 111 1HB TYR 670 2HB TYR 670 -6.878 0.668 2.218 112 2HB TYR 670 1HB TYR 670 -6.907 -0.383 3.633 113 HD1 TYR 670 1HD TYR 670 -4.887 0.626 0.679 114 HD2 TYR 670 2HD TYR 670 -4.917 -1.402 4.465 115 HE1 TYR 670 1HE TYR 670 -2.411 0.477 0.619 116 HE2 TYR 670 2HE TYR 670 -2.443 -1.552 4.406 117 HH TYR 670 HH TYR 670 -0.582 -0.805 3.369 118 H ASN 671 H ASN 671 -8.551 -1.432 3.917 119 HA ASN 671 HA ASN 671 -11.025 -2.486 3.178 120 1HB ASN 671 2HB ASN 671 -9.881 -1.276 5.375 121 2HB ASN 671 1HB ASN 671 -11.155 -0.132 4.951 122 1HD2 ASN 671 1HD2 ASN 671 -13.373 -1.328 4.426 123 2HD2 ASN 671 2HD2 ASN 671 -13.790 -2.585 5.487 124 H GLY 672 H GLY 672 -11.600 -1.768 1.026 125 1HA GLY 672 2HA GLY 672 -12.634 -0.349 -0.532 126 2HA GLY 672 1HA GLY 672 -13.333 0.470 0.867 127 H LYS 673 H LYS 673 -9.868 0.221 0.470 128 HA LYS 673 HA LYS 673 -9.781 3.173 -0.074 129 1HB LYS 673 2HB LYS 673 -8.563 1.378 1.890 130 2HB LYS 673 1HB LYS 673 -7.368 2.384 1.071 131 1HG LYS 673 2HG LYS 673 -9.895 3.421 2.391 132 2HG LYS 673 1HG LYS 673 -8.284 3.486 3.106 133 1HD LYS 673 2HD LYS 673 -7.910 4.568 0.574 134 2HD LYS 673 1HD LYS 673 -9.477 5.209 1.068 135 1HE LYS 673 2HE LYS 673 -6.995 5.313 2.819 136 2HE LYS 673 1HE LYS 673 -7.551 6.657 1.801 137 1HZ LYS 673 1HZ LYS 673 -8.831 5.462 4.157 138 2HZ LYS 673 2HZ LYS 673 -9.823 6.099 2.933 139 3HZ LYS 673 3HZ LYS 673 -8.694 7.096 3.721 140 H THR 674 H THR 674 -8.237 3.893 -1.605 141 HA THR 674 HA THR 674 -7.091 1.748 -3.352 142 HB THR 674 HB THR 674 -7.513 4.696 -3.927 143 HG1 THR 674 1HG THR 674 -9.262 2.785 -4.908 144 1HG2 THR 674 1HG2 THR 674 -6.720 2.282 -5.476 145 2HG2 THR 674 2HG2 THR 674 -6.219 3.962 -5.674 146 3HG2 THR 674 3HG2 THR 674 -7.787 3.432 -6.281 147 H TYR 675 H TYR 675 -4.886 1.487 -3.222 148 HA TYR 675 HA TYR 675 -3.249 3.853 -2.396 149 1HB TYR 675 2HB TYR 675 -3.470 1.088 -1.286 150 2HB TYR 675 1HB TYR 675 -1.892 1.878 -1.241 151 HD1 TYR 675 1HD TYR 675 -5.493 2.445 -0.395 152 HD2 TYR 675 2HD TYR 675 -1.400 3.451 0.431 153 HE1 TYR 675 1HE TYR 675 -6.220 3.802 1.549 154 HE2 TYR 675 2HE TYR 675 -2.127 4.807 2.374 155 HH TYR 675 HH TYR 675 -4.764 4.551 3.911 156 H LYS 676 H LYS 676 -1.014 3.756 -3.122 157 HA LYS 676 HA LYS 676 -0.467 1.791 -5.315 158 1HB LYS 676 2HB LYS 676 -1.106 4.563 -5.522 159 2HB LYS 676 1HB LYS 676 0.603 4.391 -5.922 160 1HG LYS 676 2HG LYS 676 0.133 3.382 -7.885 161 2HG LYS 676 1HG LYS 676 -1.010 2.276 -7.121 162 1HD LYS 676 2HD LYS 676 -2.797 3.539 -7.711 163 2HD LYS 676 1HD LYS 676 -1.988 5.042 -7.264 164 1HE LYS 676 2HE LYS 676 -0.717 5.002 -9.387 165 2HE LYS 676 1HE LYS 676 -1.532 3.493 -9.842 166 1HZ LYS 676 1HZ LYS 676 -3.532 5.199 -9.006 167 2HZ LYS 676 2HZ LYS 676 -3.193 4.739 -10.606 168 3HZ LYS 676 3HZ LYS 676 -2.518 6.160 -9.968 169 H CYS 677 H CYS 677 1.368 0.741 -4.623 170 HA CYS 677 HA CYS 677 3.191 1.753 -2.651 171 1HB CYS 677 2HB CYS 677 2.668 -0.613 -4.111 172 2HB CYS 677 1HB CYS 677 4.352 -0.206 -4.435 173 HG CYS 677 HG CYS 677 4.852 -1.074 -2.177 174 H LEU 678 H LEU 678 5.053 2.981 -2.889 175 HA LEU 678 HA LEU 678 5.753 3.850 -5.671 176 1HB LEU 678 2HB LEU 678 4.978 5.571 -4.070 177 2HB LEU 678 1HB LEU 678 6.262 5.107 -2.954 178 HG LEU 678 HG LEU 678 7.445 5.570 -5.514 179 1HD1 LEU 678 1HD1 LEU 678 5.122 7.086 -5.269 180 2HD1 LEU 678 2HD1 LEU 678 6.479 7.440 -6.338 181 3HD1 LEU 678 3HD1 LEU 678 6.396 8.185 -4.741 182 1HD2 LEU 678 1HD2 LEU 678 8.258 7.649 -3.980 183 2HD2 LEU 678 2HD2 LEU 678 8.880 6.011 -3.776 184 3HD2 LEU 678 3HD2 LEU 678 7.590 6.602 -2.727 185 H GLN 679 H GLN 679 6.869 2.032 -2.975 186 HA GLN 679 HA GLN 679 9.547 1.782 -4.263 187 1HB GLN 679 2HB GLN 679 8.913 2.501 -1.388 188 2HB GLN 679 1HB GLN 679 10.510 1.971 -1.916 189 1HG GLN 679 2HG GLN 679 9.983 3.895 -3.772 190 2HG GLN 679 1HG GLN 679 9.132 4.550 -2.373 191 1HE2 GLN 679 1HE2 GLN 679 12.344 3.243 -3.337 192 2HE2 GLN 679 2HE2 GLN 679 13.222 4.159 -2.210 193 HA PRO 680 HA PRO 680 8.766 -2.520 -3.555 194 1HB PRO 680 2HB PRO 680 11.577 -3.077 -3.299 195 2HB PRO 680 1HB PRO 680 10.541 -3.331 -4.706 196 1HG PRO 680 2HG PRO 680 12.587 -1.352 -4.368 197 2HG PRO 680 1HG PRO 680 11.538 -1.598 -5.766 198 1HD PRO 680 2HD PRO 680 11.448 0.552 -3.840 199 2HD PRO 680 1HD PRO 680 10.398 0.307 -5.257 200 H HIS 681 H HIS 681 7.942 -2.833 -1.478 201 HA HIS 681 HA HIS 681 9.928 -3.178 0.719 202 1HB HIS 681 2HB HIS 681 7.474 -1.399 0.694 203 2HB HIS 681 1HB HIS 681 8.316 -1.855 2.177 204 HD1 HIS 681 1HD HIS 681 11.231 -1.714 1.049 205 HD2 HIS 681 2HD HIS 681 8.357 1.263 0.539 206 HE1 HIS 681 1HE HIS 681 12.495 0.427 0.572 207 H THR 682 H THR 682 8.021 -3.654 2.752 208 HA THR 682 HA THR 682 6.407 -5.931 1.656 209 HB THR 682 HB THR 682 8.298 -5.831 4.022 210 HG1 THR 682 1HG THR 682 9.348 -6.303 2.150 211 1HG2 THR 682 1HG2 THR 682 5.924 -7.455 3.564 212 2HG2 THR 682 2HG2 THR 682 6.931 -7.329 5.005 213 3HG2 THR 682 3HG2 THR 682 7.375 -8.445 3.713 214 H SER 683 H SER 683 4.301 -5.725 2.279 215 HA SER 683 HA SER 683 3.467 -3.734 4.235 216 1HB SER 683 2HB SER 683 1.223 -4.665 3.645 217 2HB SER 683 1HB SER 683 2.181 -4.270 2.221 218 HG SER 683 HG SER 683 1.069 -6.473 2.508 219 H LEU 684 H LEU 684 2.691 -4.125 6.340 220 HA LEU 684 HA LEU 684 2.587 -6.934 7.310 221 1HB LEU 684 2HB LEU 684 4.290 -6.618 8.897 222 2HB LEU 684 1HB LEU 684 4.910 -5.746 7.499 223 HG LEU 684 HG LEU 684 3.481 -4.543 9.888 224 1HD1 LEU 684 1HD1 LEU 684 6.112 -3.522 9.109 225 2HD1 LEU 684 2HD1 LEU 684 6.147 -5.230 9.544 226 3HD1 LEU 684 3HD1 LEU 684 5.534 -4.040 10.692 227 1HD2 LEU 684 1HD2 LEU 684 4.397 -3.355 7.259 228 2HD2 LEU 684 2HD2 LEU 684 4.125 -2.368 8.697 229 3HD2 LEU 684 3HD2 LEU 684 2.792 -3.274 7.984 230 H ALA 685 H ALA 685 1.894 -6.834 9.767 231 HA ALA 685 HA ALA 685 -0.652 -5.537 9.936 232 1HB ALA 685 1HB ALA 685 0.126 -7.601 11.132 233 2HB ALA 685 2HB ALA 685 -0.603 -6.416 12.216 234 3HB ALA 685 3HB ALA 685 1.151 -6.584 12.143 235 H GLY 686 H GLY 686 0.239 -3.284 9.315 236 1HA GLY 686 2HA GLY 686 0.124 -1.515 11.504 237 2HA GLY 686 1HA GLY 686 1.836 -1.793 11.183 238 H TRP 687 H TRP 687 1.320 -2.176 8.270 239 HA TRP 687 HA TRP 687 1.417 0.672 7.516 240 1HB TRP 687 2HB TRP 687 1.874 -2.006 6.219 241 2HB TRP 687 1HB TRP 687 1.742 -0.559 5.219 242 HD1 TRP 687 HD TRP 687 3.178 0.386 8.450 243 HE1 TRP 687 1HE TRP 687 5.739 0.638 8.282 244 HE3 TRP 687 3HE TRP 687 3.988 -1.845 3.930 245 HZ2 TRP 687 2HZ TRP 687 7.851 -0.019 6.467 246 HZ3 TRP 687 3HZ TRP 687 6.280 -2.019 3.005 247 HH2 TRP 687 HH TRP 687 8.212 -1.110 4.266 248 H GLU 688 H GLU 688 -1.190 -0.487 8.449 249 HA GLU 688 HA GLU 688 -2.816 -0.655 5.994 250 1HB GLU 688 2HB GLU 688 -4.086 -0.477 8.684 251 2HB GLU 688 1HB GLU 688 -4.407 -1.589 7.362 252 1HG GLU 688 2HG GLU 688 -2.051 -2.569 7.917 253 2HG GLU 688 1HG GLU 688 -2.258 -1.751 9.466 254 HA PRO 689 HA PRO 689 -4.482 3.447 7.897 255 1HB PRO 689 2HB PRO 689 -2.498 4.470 9.712 256 2HB PRO 689 1HB PRO 689 -4.145 3.951 10.087 257 1HG PRO 689 2HG PRO 689 -1.750 2.657 10.861 258 2HG PRO 689 1HG PRO 689 -3.393 2.032 11.034 259 1HD PRO 689 2HD PRO 689 -1.306 1.233 9.122 260 2HD PRO 689 1HD PRO 689 -2.820 0.400 9.543 261 H SER 690 H SER 690 -1.415 2.633 6.767 262 HA SER 690 HA SER 690 0.072 3.702 5.286 263 1HB SER 690 2HB SER 690 -0.963 5.134 3.784 264 2HB SER 690 1HB SER 690 -2.376 4.372 4.505 265 HG SER 690 HG SER 690 -2.501 6.677 4.458 266 H ASN 691 H ASN 691 0.838 4.074 7.818 267 HA ASN 691 HA ASN 691 0.941 6.897 8.599 268 1HB ASN 691 2HB ASN 691 2.718 4.681 9.619 269 2HB ASN 691 1HB ASN 691 2.049 6.049 10.508 270 1HD2 ASN 691 1HD2 ASN 691 1.766 2.852 10.539 271 2HD2 ASN 691 2HD2 ASN 691 0.103 2.660 10.809 272 H VAL 692 H VAL 692 2.565 5.047 6.296 273 HA VAL 692 HA VAL 692 4.949 6.867 6.398 274 HB VAL 692 HB VAL 692 6.149 4.918 5.370 275 1HG1 VAL 692 1HG1 VAL 692 4.762 4.697 8.032 276 2HG1 VAL 692 2HG1 VAL 692 6.456 5.052 7.693 277 3HG1 VAL 692 3HG1 VAL 692 5.839 3.413 7.482 278 1HG2 VAL 692 1HG2 VAL 692 5.011 2.714 5.420 279 2HG2 VAL 692 2HG2 VAL 692 4.197 3.829 4.326 280 3HG2 VAL 692 3HG2 VAL 692 3.516 3.505 5.919 281 HA PRO 693 HA PRO 693 2.412 7.495 2.486 282 1HB PRO 693 2HB PRO 693 3.143 10.267 2.735 283 2HB PRO 693 1HB PRO 693 1.540 9.546 2.896 284 1HG PRO 693 2HG PRO 693 3.226 10.605 4.976 285 2HG PRO 693 1HG PRO 693 1.601 9.928 5.127 286 1HD PRO 693 2HD PRO 693 4.069 8.754 6.009 287 2HD PRO 693 1HD PRO 693 2.443 8.031 6.072 288 H ALA 694 H ALA 694 5.611 8.257 3.637 289 HA ALA 694 HA ALA 694 6.880 9.366 1.391 290 1HB ALA 694 1HB ALA 694 8.539 9.108 2.901 291 2HB ALA 694 2HB ALA 694 8.573 7.383 2.540 292 3HB ALA 694 3HB ALA 694 7.538 7.993 3.830 293 H LEU 695 H LEU 695 6.086 5.957 2.041 294 HA LEU 695 HA LEU 695 6.898 5.324 -0.771 295 1HB LEU 695 2HB LEU 695 7.950 3.487 0.060 296 2HB LEU 695 1HB LEU 695 7.848 4.327 1.599 297 HG LEU 695 HG LEU 695 7.061 2.092 1.954 298 1HD1 LEU 695 1HD1 LEU 695 5.302 4.349 2.235 299 2HD1 LEU 695 2HD1 LEU 695 5.475 2.946 3.283 300 3HD1 LEU 695 3HD1 LEU 695 4.358 2.898 1.922 301 1HD2 LEU 695 1HD2 LEU 695 4.739 2.006 0.250 302 2HD2 LEU 695 2HD2 LEU 695 6.099 0.885 0.326 303 3HD2 LEU 695 3HD2 LEU 695 6.181 2.300 -0.723 304 H TRP 696 H TRP 696 4.247 5.620 1.328 305 HA TRP 696 HA TRP 696 2.558 3.760 -0.292 306 1HB TRP 696 2HB TRP 696 2.605 4.818 2.476 307 2HB TRP 696 1HB TRP 696 1.001 4.667 1.761 308 HD1 TRP 696 HD TRP 696 2.694 2.771 4.026 309 HE1 TRP 696 1HE TRP 696 2.524 0.224 3.672 310 HE3 TRP 696 3HE TRP 696 1.176 2.652 -0.853 311 HZ2 TRP 696 2HZ TRP 696 1.837 -1.620 1.596 312 HZ3 TRP 696 3HZ TRP 696 0.772 0.489 -1.990 313 HH2 TRP 696 HH TRP 696 1.098 -1.646 -0.773 314 H GLN 697 H GLN 697 2.146 5.099 -2.137 315 HA GLN 697 HA GLN 697 0.996 7.807 -1.644 316 1HB GLN 697 2HB GLN 697 2.731 7.773 -3.275 317 2HB GLN 697 1HB GLN 697 2.103 6.303 -4.024 318 1HG GLN 697 2HG GLN 697 0.465 7.425 -5.184 319 2HG GLN 697 1HG GLN 697 0.283 8.662 -3.940 320 1HE2 GLN 697 1HE2 GLN 697 3.174 7.571 -5.810 321 2HE2 GLN 697 2HE2 GLN 697 3.559 9.118 -6.392 322 H LEU 698 H LEU 698 -1.185 7.475 -1.109 323 HA LEU 698 HA LEU 698 -2.771 5.567 -2.742 324 1HB LEU 698 2HB LEU 698 -4.295 5.635 -0.936 325 2HB LEU 698 1HB LEU 698 -2.725 5.800 -0.151 326 HG LEU 698 HG LEU 698 -3.354 8.419 -0.740 327 1HD1 LEU 698 1HD1 LEU 698 -5.572 8.593 -1.087 328 2HD1 LEU 698 2HD1 LEU 698 -5.827 8.005 0.555 329 3HD1 LEU 698 3HD1 LEU 698 -5.797 6.868 -0.793 330 1HD2 LEU 698 1HD2 LEU 698 -2.453 7.777 1.382 331 2HD2 LEU 698 2HD2 LEU 698 -3.832 6.733 1.729 332 3HD2 LEU 698 3HD2 LEU 698 -4.030 8.486 1.729 333 H GLN 699 H GLN 699 -5.227 6.622 -2.828 334 HA GLN 699 HA GLN 699 -5.192 9.430 -3.718 335 1HB GLN 699 2HB GLN 699 -5.962 8.675 -6.039 336 2HB GLN 699 1HB GLN 699 -4.263 8.380 -5.668 337 1HG GLN 699 2HG GLN 699 -4.525 6.147 -5.830 338 2HG GLN 699 1HG GLN 699 -5.951 6.174 -4.792 339 1HE2 GLN 699 1HE2 GLN 699 -7.680 7.810 -6.335 340 2HE2 GLN 699 2HE2 GLN 699 -8.036 7.017 -7.792 Start of MODEL 12 1 HA ALA 655 HA ALA 655 -7.752 -5.394 -1.854 2 1HB ALA 655 1HB ALA 655 -7.598 -7.991 -1.312 3 2HB ALA 655 2HB ALA 655 -7.507 -8.125 -3.068 4 3HB ALA 655 3HB ALA 655 -8.908 -7.363 -2.313 5 H TRP 656 H TRP 656 -6.019 -4.445 -0.775 6 HA TRP 656 HA TRP 656 -3.297 -5.088 -0.896 7 1HB TRP 656 2HB TRP 656 -4.052 -3.125 0.238 8 2HB TRP 656 1HB TRP 656 -5.085 -4.059 1.319 9 HD1 TRP 656 HD TRP 656 -1.314 -3.766 0.487 10 HE1 TRP 656 1HE TRP 656 0.016 -4.121 2.667 11 HE3 TRP 656 3HE TRP 656 -5.152 -4.734 3.714 12 HZ2 TRP 656 2HZ TRP 656 -0.483 -4.735 5.416 13 HZ3 TRP 656 3HZ TRP 656 -4.697 -5.199 6.105 14 HH2 TRP 656 HH TRP 656 -2.370 -5.200 6.960 15 H GLN 657 H GLN 657 -1.973 -6.595 0.184 16 HA GLN 657 HA GLN 657 -3.416 -8.743 1.706 17 1HB GLN 657 2HB GLN 657 -0.893 -8.909 0.025 18 2HB GLN 657 1HB GLN 657 -1.778 -10.265 0.724 19 1HG GLN 657 2HG GLN 657 -3.748 -8.936 -0.680 20 2HG GLN 657 1HG GLN 657 -2.337 -8.734 -1.719 21 1HE2 GLN 657 1HE2 GLN 657 -3.608 -11.422 0.344 22 2HE2 GLN 657 2HE2 GLN 657 -3.449 -12.609 -0.860 23 H VAL 658 H VAL 658 -2.949 -8.350 3.862 24 HA VAL 658 HA VAL 658 -0.750 -6.949 4.929 25 HB VAL 658 HB VAL 658 -2.655 -7.475 6.277 26 1HG1 VAL 658 1HG1 VAL 658 -2.217 -10.168 5.134 27 2HG1 VAL 658 2HG1 VAL 658 -3.724 -9.366 5.580 28 3HG1 VAL 658 3HG1 VAL 658 -2.741 -10.149 6.817 29 1HG2 VAL 658 1HG2 VAL 658 -0.676 -9.432 7.402 30 2HG2 VAL 658 2HG2 VAL 658 -1.614 -8.194 8.237 31 3HG2 VAL 658 3HG2 VAL 658 -0.219 -7.735 7.261 32 H ASN 659 H ASN 659 1.303 -7.630 5.697 33 HA ASN 659 HA ASN 659 3.283 -8.917 5.690 34 1HB ASN 659 2HB ASN 659 0.977 -10.708 6.137 35 2HB ASN 659 1HB ASN 659 2.436 -11.528 5.578 36 1HD2 ASN 659 1HD2 ASN 659 2.053 -12.338 8.023 37 2HD2 ASN 659 2HD2 ASN 659 2.915 -11.466 9.196 38 H THR 660 H THR 660 2.869 -7.893 3.236 39 HA THR 660 HA THR 660 3.533 -10.166 1.407 40 HB THR 660 HB THR 660 1.591 -7.884 0.915 41 HG1 THR 660 1HG THR 660 0.566 -9.404 2.084 42 1HG2 THR 660 1HG2 THR 660 1.154 -9.375 -1.182 43 2HG2 THR 660 2HG2 THR 660 2.767 -10.009 -0.858 44 3HG2 THR 660 3HG2 THR 660 2.543 -8.290 -1.187 45 H ALA 661 H ALA 661 5.115 -9.628 -0.139 46 HA ALA 661 HA ALA 661 6.590 -7.114 0.332 47 1HB ALA 661 1HB ALA 661 7.492 -9.527 0.017 48 2HB ALA 661 2HB ALA 661 8.325 -8.227 -0.837 49 3HB ALA 661 3HB ALA 661 7.189 -9.264 -1.700 50 H TYR 662 H TYR 662 6.162 -5.316 -0.876 51 HA TYR 662 HA TYR 662 4.892 -5.681 -3.571 52 1HB TYR 662 2HB TYR 662 4.727 -3.561 -1.419 53 2HB TYR 662 1HB TYR 662 4.132 -3.276 -3.054 54 HD1 TYR 662 1HD TYR 662 2.952 -5.783 -3.862 55 HD2 TYR 662 2HD TYR 662 2.888 -3.883 -0.011 56 HE1 TYR 662 1HE TYR 662 0.849 -6.975 -3.310 57 HE2 TYR 662 2HE TYR 662 0.786 -5.077 0.543 58 HH TYR 662 HH TYR 662 -0.822 -7.167 -1.848 59 H THR 663 H THR 663 5.604 -4.165 -5.246 60 HA THR 663 HA THR 663 8.456 -3.359 -4.906 61 HB THR 663 HB THR 663 8.540 -3.536 -7.292 62 HG1 THR 663 1HG THR 663 6.342 -3.994 -8.297 63 1HG2 THR 663 1HG2 THR 663 8.346 -5.702 -6.113 64 2HG2 THR 663 2HG2 THR 663 7.619 -5.772 -7.719 65 3HG2 THR 663 3HG2 THR 663 6.592 -5.632 -6.291 66 H ALA 664 H ALA 664 8.660 -1.377 -6.808 67 HA ALA 664 HA ALA 664 7.265 0.875 -5.489 68 1HB ALA 664 1HB ALA 664 9.407 1.565 -5.844 69 2HB ALA 664 2HB ALA 664 8.861 1.893 -7.489 70 3HB ALA 664 3HB ALA 664 9.671 0.372 -7.116 71 H GLY 665 H GLY 665 5.196 1.187 -6.277 72 1HA GLY 665 2HA GLY 665 3.958 2.307 -8.110 73 2HA GLY 665 1HA GLY 665 4.900 1.343 -9.249 74 H GLN 666 H GLN 666 3.577 0.004 -6.281 75 HA GLN 666 HA GLN 666 2.034 -1.950 -7.888 76 1HB GLN 666 2HB GLN 666 3.153 -1.666 -5.157 77 2HB GLN 666 1HB GLN 666 1.654 -2.589 -5.264 78 1HG GLN 666 2HG GLN 666 4.130 -3.101 -6.939 79 2HG GLN 666 1HG GLN 666 3.669 -4.030 -5.512 80 1HE2 GLN 666 1HE2 GLN 666 3.665 -5.825 -7.296 81 2HE2 GLN 666 2HE2 GLN 666 2.203 -6.064 -8.124 82 H LEU 667 H LEU 667 -0.252 -2.453 -7.057 83 HA LEU 667 HA LEU 667 -1.634 0.042 -6.126 84 1HB LEU 667 2HB LEU 667 -1.656 -1.007 -8.676 85 2HB LEU 667 1HB LEU 667 -3.109 -1.717 -7.970 86 HG LEU 667 HG LEU 667 -2.583 1.201 -7.542 87 1HD1 LEU 667 1HD1 LEU 667 -2.246 0.901 -9.953 88 2HD1 LEU 667 2HD1 LEU 667 -3.793 1.694 -9.656 89 3HD1 LEU 667 3HD1 LEU 667 -3.745 -0.021 -10.064 90 1HD2 LEU 667 1HD2 LEU 667 -5.177 -0.222 -8.151 91 2HD2 LEU 667 2HD2 LEU 667 -4.937 1.298 -7.287 92 3HD2 LEU 667 3HD2 LEU 667 -4.489 -0.229 -6.526 93 H VAL 668 H VAL 668 -2.233 -0.605 -4.056 94 HA VAL 668 HA VAL 668 -3.618 -3.253 -3.784 95 HB VAL 668 HB VAL 668 -2.753 -3.318 -1.569 96 1HG1 VAL 668 1HG1 VAL 668 -0.405 -3.139 -1.863 97 2HG1 VAL 668 2HG1 VAL 668 -0.568 -1.807 -3.006 98 3HG1 VAL 668 3HG1 VAL 668 -1.033 -3.441 -3.483 99 1HG2 VAL 668 1HG2 VAL 668 -2.892 -0.405 -1.849 100 2HG2 VAL 668 2HG2 VAL 668 -1.415 -0.941 -1.048 101 3HG2 VAL 668 3HG2 VAL 668 -2.988 -1.395 -0.393 102 H THR 669 H THR 669 -5.324 -3.125 -1.900 103 HA THR 669 HA THR 669 -6.663 -0.452 -1.853 104 HB THR 669 HB THR 669 -8.815 -1.764 -2.305 105 HG1 THR 669 1HG THR 669 -7.147 -3.671 -3.487 106 1HG2 THR 669 1HG2 THR 669 -7.313 -0.404 -3.966 107 2HG2 THR 669 2HG2 THR 669 -8.589 -1.439 -4.606 108 3HG2 THR 669 3HG2 THR 669 -6.914 -1.993 -4.618 109 H TYR 670 H TYR 670 -7.035 0.034 0.264 110 HA TYR 670 HA TYR 670 -7.223 -2.163 2.263 111 1HB TYR 670 2HB TYR 670 -6.777 0.826 2.303 112 2HB TYR 670 1HB TYR 670 -7.121 -0.059 3.788 113 HD1 TYR 670 1HD TYR 670 -5.540 -1.672 4.699 114 HD2 TYR 670 2HD TYR 670 -4.709 0.425 1.045 115 HE1 TYR 670 1HE TYR 670 -3.174 -2.403 4.819 116 HE2 TYR 670 2HE TYR 670 -2.341 -0.304 1.164 117 HH TYR 670 HH TYR 670 -0.746 -1.031 3.223 118 H ASN 671 H ASN 671 -8.796 -0.738 4.171 119 HA ASN 671 HA ASN 671 -11.406 -1.514 3.701 120 1HB ASN 671 2HB ASN 671 -10.051 -0.174 5.636 121 2HB ASN 671 1HB ASN 671 -11.046 1.136 4.997 122 1HD2 ASN 671 1HD2 ASN 671 -11.130 -1.911 6.760 123 2HD2 ASN 671 2HD2 ASN 671 -12.785 -1.862 7.134 124 H GLY 672 H GLY 672 -12.081 -1.145 1.516 125 1HA GLY 672 2HA GLY 672 -12.903 0.088 -0.311 126 2HA GLY 672 1HA GLY 672 -13.567 1.147 0.934 127 H LYS 673 H LYS 673 -10.113 0.667 0.646 128 HA LYS 673 HA LYS 673 -9.878 3.482 -0.362 129 1HB LYS 673 2HB LYS 673 -8.153 1.846 1.524 130 2HB LYS 673 1HB LYS 673 -7.783 3.490 1.000 131 1HG LYS 673 2HG LYS 673 -10.466 3.535 1.888 132 2HG LYS 673 1HG LYS 673 -9.560 2.627 3.100 133 1HD LYS 673 2HD LYS 673 -8.393 4.453 3.772 134 2HD LYS 673 1HD LYS 673 -8.176 5.035 2.120 135 1HE LYS 673 2HE LYS 673 -10.934 5.165 3.286 136 2HE LYS 673 1HE LYS 673 -9.740 6.366 3.820 137 1HZ LYS 673 1HZ LYS 673 -10.597 5.758 1.047 138 2HZ LYS 673 2HZ LYS 673 -9.179 6.628 1.392 139 3HZ LYS 673 3HZ LYS 673 -10.692 7.242 1.863 140 H THR 674 H THR 674 -7.983 3.902 -1.714 141 HA THR 674 HA THR 674 -6.878 1.452 -3.052 142 HB THR 674 HB THR 674 -7.555 4.124 -4.321 143 HG1 THR 674 1HG THR 674 -9.413 3.028 -3.545 144 1HG2 THR 674 1HG2 THR 674 -7.369 1.545 -5.807 145 2HG2 THR 674 2HG2 THR 674 -5.862 2.286 -5.268 146 3HG2 THR 674 3HG2 THR 674 -6.953 3.176 -6.332 147 H TYR 675 H TYR 675 -4.696 1.398 -2.642 148 HA TYR 675 HA TYR 675 -3.255 4.013 -2.355 149 1HB TYR 675 2HB TYR 675 -3.000 1.290 -1.097 150 2HB TYR 675 1HB TYR 675 -1.626 2.395 -1.100 151 HD1 TYR 675 1HD TYR 675 -1.547 4.280 0.357 152 HD2 TYR 675 2HD TYR 675 -5.175 2.017 -0.048 153 HE1 TYR 675 1HE TYR 675 -2.520 5.495 2.287 154 HE2 TYR 675 2HE TYR 675 -6.149 3.234 1.880 155 HH TYR 675 HH TYR 675 -5.724 4.649 3.565 156 H LYS 676 H LYS 676 -1.076 4.089 -3.261 157 HA LYS 676 HA LYS 676 -0.604 2.073 -5.437 158 1HB LYS 676 2HB LYS 676 -0.874 4.996 -5.404 159 2HB LYS 676 1HB LYS 676 0.594 4.454 -6.217 160 1HG LYS 676 2HG LYS 676 -0.809 4.235 -8.009 161 2HG LYS 676 1HG LYS 676 -1.190 2.689 -7.247 162 1HD LYS 676 2HD LYS 676 -3.242 3.404 -6.505 163 2HD LYS 676 1HD LYS 676 -2.697 5.065 -6.275 164 1HE LYS 676 2HE LYS 676 -2.941 3.908 -9.055 165 2HE LYS 676 1HE LYS 676 -4.346 4.615 -8.232 166 1HZ LYS 676 1HZ LYS 676 -1.713 5.965 -8.504 167 2HZ LYS 676 2HZ LYS 676 -3.138 6.631 -7.863 168 3HZ LYS 676 3HZ LYS 676 -3.040 6.264 -9.518 169 H CYS 677 H CYS 677 0.928 0.887 -4.137 170 HA CYS 677 HA CYS 677 2.969 1.850 -2.501 171 1HB CYS 677 2HB CYS 677 2.268 -0.533 -3.908 172 2HB CYS 677 1HB CYS 677 3.994 -0.260 -4.145 173 HG CYS 677 HG CYS 677 4.126 -0.028 -1.446 174 H LEU 678 H LEU 678 5.031 2.728 -2.862 175 HA LEU 678 HA LEU 678 5.727 3.358 -5.713 176 1HB LEU 678 2HB LEU 678 4.754 5.260 -4.451 177 2HB LEU 678 1HB LEU 678 6.008 5.075 -3.225 178 HG LEU 678 HG LEU 678 7.022 5.270 -5.988 179 1HD1 LEU 678 1HD1 LEU 678 4.996 7.094 -5.123 180 2HD1 LEU 678 2HD1 LEU 678 5.959 7.157 -6.600 181 3HD1 LEU 678 3HD1 LEU 678 6.536 7.955 -5.135 182 1HD2 LEU 678 1HD2 LEU 678 8.829 5.721 -4.717 183 2HD2 LEU 678 2HD2 LEU 678 7.828 5.792 -3.268 184 3HD2 LEU 678 3HD2 LEU 678 8.073 7.242 -4.241 185 H GLN 679 H GLN 679 6.709 1.824 -2.870 186 HA GLN 679 HA GLN 679 9.537 1.821 -3.827 187 1HB GLN 679 2HB GLN 679 8.548 3.229 -1.612 188 2HB GLN 679 1HB GLN 679 9.308 1.793 -0.926 189 1HG GLN 679 2HG GLN 679 11.396 2.469 -1.511 190 2HG GLN 679 1HG GLN 679 10.862 3.067 -3.082 191 1HE2 GLN 679 1HE2 GLN 679 12.549 4.821 -2.037 192 2HE2 GLN 679 2HE2 GLN 679 11.777 6.122 -1.267 193 HA PRO 680 HA PRO 680 8.990 -2.553 -3.278 194 1HB PRO 680 2HB PRO 680 11.818 -2.912 -2.885 195 2HB PRO 680 1HB PRO 680 10.879 -3.206 -4.352 196 1HG PRO 680 2HG PRO 680 12.760 -1.103 -3.875 197 2HG PRO 680 1HG PRO 680 11.787 -1.376 -5.324 198 1HD PRO 680 2HD PRO 680 11.471 0.696 -3.325 199 2HD PRO 680 1HD PRO 680 10.525 0.450 -4.814 200 H HIS 681 H HIS 681 7.998 -2.518 -1.157 201 HA HIS 681 HA HIS 681 9.927 -2.992 1.084 202 1HB HIS 681 2HB HIS 681 7.704 -1.016 0.774 203 2HB HIS 681 1HB HIS 681 7.964 -1.714 2.373 204 HD1 HIS 681 1HD HIS 681 11.098 -1.614 0.574 205 HD2 HIS 681 2HD HIS 681 8.914 1.121 2.839 206 HE1 HIS 681 1HE HIS 681 12.708 0.233 1.214 207 H THR 682 H THR 682 8.314 -3.685 3.086 208 HA THR 682 HA THR 682 6.563 -5.859 1.978 209 HB THR 682 HB THR 682 8.378 -5.750 4.409 210 HG1 THR 682 1HG THR 682 9.263 -7.594 3.152 211 1HG2 THR 682 1HG2 THR 682 7.454 -7.679 5.193 212 2HG2 THR 682 2HG2 THR 682 7.141 -8.304 3.574 213 3HG2 THR 682 3HG2 THR 682 6.039 -7.133 4.297 214 H SER 683 H SER 683 4.443 -5.622 2.573 215 HA SER 683 HA SER 683 3.687 -3.656 4.631 216 1HB SER 683 2HB SER 683 2.619 -4.352 2.287 217 2HB SER 683 1HB SER 683 1.775 -5.530 3.287 218 HG SER 683 HG SER 683 0.933 -3.870 4.497 219 H LEU 684 H LEU 684 2.626 -4.200 6.601 220 HA LEU 684 HA LEU 684 2.192 -7.052 7.255 221 1HB LEU 684 2HB LEU 684 3.867 -7.173 8.891 222 2HB LEU 684 1HB LEU 684 4.650 -6.198 7.650 223 HG LEU 684 HG LEU 684 3.275 -5.177 10.153 224 1HD1 LEU 684 1HD1 LEU 684 5.553 -6.129 10.454 225 2HD1 LEU 684 2HD1 LEU 684 5.517 -4.389 10.744 226 3HD1 LEU 684 3HD1 LEU 684 6.159 -5.017 9.226 227 1HD2 LEU 684 1HD2 LEU 684 4.161 -3.844 7.629 228 2HD2 LEU 684 2HD2 LEU 684 4.456 -2.997 9.148 229 3HD2 LEU 684 3HD2 LEU 684 2.814 -3.449 8.695 230 H ALA 685 H ALA 685 1.564 -7.019 9.816 231 HA ALA 685 HA ALA 685 -0.874 -5.534 10.024 232 1HB ALA 685 1HB ALA 685 -0.980 -6.551 12.187 233 2HB ALA 685 2HB ALA 685 0.777 -6.658 12.299 234 3HB ALA 685 3HB ALA 685 -0.101 -7.696 11.174 235 H GLY 686 H GLY 686 0.111 -3.337 9.468 236 1HA GLY 686 2HA GLY 686 0.185 -1.625 11.703 237 2HA GLY 686 1HA GLY 686 1.865 -2.002 11.313 238 H TRP 687 H TRP 687 1.440 -2.241 8.456 239 HA TRP 687 HA TRP 687 1.427 0.640 7.783 240 1HB TRP 687 2HB TRP 687 2.117 -1.945 6.363 241 2HB TRP 687 1HB TRP 687 2.153 -0.386 5.543 242 HD1 TRP 687 HD TRP 687 3.079 0.287 8.967 243 HE1 TRP 687 1HE TRP 687 5.637 0.420 9.260 244 HE3 TRP 687 3HE TRP 687 4.575 -1.796 4.556 245 HZ2 TRP 687 2HZ TRP 687 8.007 -0.267 7.808 246 HZ3 TRP 687 3HZ TRP 687 6.983 -2.044 4.034 247 HH2 TRP 687 HH TRP 687 8.701 -1.284 5.652 248 H GLU 688 H GLU 688 -1.126 -0.458 8.527 249 HA GLU 688 HA GLU 688 -2.587 -0.952 6.007 250 1HB GLU 688 2HB GLU 688 -4.062 -0.548 8.556 251 2HB GLU 688 1HB GLU 688 -4.213 -1.827 7.362 252 1HG GLU 688 2HG GLU 688 -1.946 -2.686 8.207 253 2HG GLU 688 1HG GLU 688 -2.165 -1.591 9.573 254 HA PRO 689 HA PRO 689 -4.516 3.247 7.373 255 1HB PRO 689 2HB PRO 689 -2.712 4.521 9.217 256 2HB PRO 689 1HB PRO 689 -4.363 3.971 9.519 257 1HG PRO 689 2HG PRO 689 -1.997 2.859 10.593 258 2HG PRO 689 1HG PRO 689 -3.624 2.177 10.692 259 1HD PRO 689 2HD PRO 689 -1.355 1.314 9.025 260 2HD PRO 689 1HD PRO 689 -2.856 0.444 9.416 261 H SER 690 H SER 690 -1.401 2.458 6.433 262 HA SER 690 HA SER 690 0.149 3.493 4.993 263 1HB SER 690 2HB SER 690 -1.485 3.956 3.423 264 2HB SER 690 1HB SER 690 -2.478 4.848 4.569 265 HG SER 690 HG SER 690 -1.537 6.601 3.920 266 H ASN 691 H ASN 691 0.862 4.048 7.450 267 HA ASN 691 HA ASN 691 0.743 6.923 8.088 268 1HB ASN 691 2HB ASN 691 2.500 4.853 9.401 269 2HB ASN 691 1HB ASN 691 1.703 6.243 10.133 270 1HD2 ASN 691 1HD2 ASN 691 1.527 2.985 10.190 271 2HD2 ASN 691 2HD2 ASN 691 -0.143 2.766 10.395 272 H VAL 692 H VAL 692 2.478 5.283 5.833 273 HA VAL 692 HA VAL 692 4.866 7.066 6.196 274 HB VAL 692 HB VAL 692 6.105 5.098 5.129 275 1HG1 VAL 692 1HG1 VAL 692 5.998 3.751 7.306 276 2HG1 VAL 692 2HG1 VAL 692 4.775 4.906 7.838 277 3HG1 VAL 692 3HG1 VAL 692 6.408 5.459 7.465 278 1HG2 VAL 692 1HG2 VAL 692 4.107 3.969 4.218 279 2HG2 VAL 692 2HG2 VAL 692 3.502 3.714 5.855 280 3HG2 VAL 692 3HG2 VAL 692 4.975 2.905 5.323 281 HA PRO 693 HA PRO 693 2.843 7.955 2.119 282 1HB PRO 693 2HB PRO 693 4.086 10.541 2.331 283 2HB PRO 693 1HB PRO 693 2.369 10.148 2.448 284 1HG PRO 693 2HG PRO 693 4.142 10.947 4.561 285 2HG PRO 693 1HG PRO 693 2.422 10.561 4.673 286 1HD PRO 693 2HD PRO 693 4.645 9.002 5.641 287 2HD PRO 693 1HD PRO 693 2.914 8.600 5.726 288 H ALA 694 H ALA 694 6.041 7.890 3.377 289 HA ALA 694 HA ALA 694 7.604 8.755 1.160 290 1HB ALA 694 1HB ALA 694 8.726 6.485 2.577 291 2HB ALA 694 2HB ALA 694 7.928 7.583 3.703 292 3HB ALA 694 3HB ALA 694 9.208 8.179 2.647 293 H LEU 695 H LEU 695 6.084 5.620 1.863 294 HA LEU 695 HA LEU 695 6.893 4.735 -0.880 295 1HB LEU 695 2HB LEU 695 7.677 2.804 0.030 296 2HB LEU 695 1HB LEU 695 7.685 3.707 1.536 297 HG LEU 695 HG LEU 695 6.591 1.623 1.967 298 1HD1 LEU 695 1HD1 LEU 695 5.335 4.054 2.390 299 2HD1 LEU 695 2HD1 LEU 695 4.900 2.524 3.145 300 3HD1 LEU 695 3HD1 LEU 695 4.069 3.054 1.686 301 1HD2 LEU 695 1HD2 LEU 695 4.306 1.822 0.202 302 2HD2 LEU 695 2HD2 LEU 695 5.448 0.493 0.396 303 3HD2 LEU 695 3HD2 LEU 695 5.806 1.807 -0.725 304 H TRP 696 H TRP 696 4.293 5.456 1.203 305 HA TRP 696 HA TRP 696 2.380 3.753 -0.332 306 1HB TRP 696 2HB TRP 696 2.494 5.107 2.319 307 2HB TRP 696 1HB TRP 696 0.904 4.998 1.567 308 HD1 TRP 696 HD TRP 696 2.373 3.284 4.106 309 HE1 TRP 696 1HE TRP 696 1.996 0.737 4.083 310 HE3 TRP 696 3HE TRP 696 0.970 2.634 -0.772 311 HZ2 TRP 696 2HZ TRP 696 1.207 -1.306 2.247 312 HZ3 TRP 696 3HZ TRP 696 0.414 0.377 -1.623 313 HH2 TRP 696 HH TRP 696 0.529 -1.593 -0.121 314 H GLN 697 H GLN 697 1.756 4.812 -2.211 315 HA GLN 697 HA GLN 697 1.331 7.766 -2.113 316 1HB GLN 697 2HB GLN 697 2.764 6.419 -3.837 317 2HB GLN 697 1HB GLN 697 1.207 5.997 -4.551 318 1HG GLN 697 2HG GLN 697 1.120 8.001 -5.567 319 2HG GLN 697 1HG GLN 697 1.194 8.802 -3.996 320 1HE2 GLN 697 1HE2 GLN 697 3.012 8.047 -6.866 321 2HE2 GLN 697 2HE2 GLN 697 4.477 8.743 -6.370 322 H LEU 698 H LEU 698 -0.712 7.189 -0.789 323 HA LEU 698 HA LEU 698 -2.924 5.759 -1.786 324 1HB LEU 698 2HB LEU 698 -2.813 6.644 0.465 325 2HB LEU 698 1HB LEU 698 -2.713 8.296 -0.140 326 HG LEU 698 HG LEU 698 -4.978 7.967 -1.196 327 1HD1 LEU 698 1HD1 LEU 698 -5.853 5.897 -1.271 328 2HD1 LEU 698 2HD1 LEU 698 -5.873 5.842 0.491 329 3HD1 LEU 698 3HD1 LEU 698 -4.457 5.273 -0.393 330 1HD2 LEU 698 1HD2 LEU 698 -5.546 7.391 1.624 331 2HD2 LEU 698 2HD2 LEU 698 -5.890 8.844 0.686 332 3HD2 LEU 698 3HD2 LEU 698 -4.297 8.618 1.409 333 H GLN 699 H GLN 699 -4.915 6.622 -2.810 334 HA GLN 699 HA GLN 699 -4.512 9.090 -4.439 335 1HB GLN 699 2HB GLN 699 -4.947 7.911 -6.466 336 2HB GLN 699 1HB GLN 699 -3.798 6.902 -5.588 337 1HG GLN 699 2HG GLN 699 -5.274 5.212 -5.796 338 2HG GLN 699 1HG GLN 699 -6.309 6.079 -4.660 339 1HE2 GLN 699 1HE2 GLN 699 -8.367 6.484 -5.473 340 2HE2 GLN 699 2HE2 GLN 699 -8.751 6.670 -7.116 Start of MODEL 13 1 HA ALA 655 HA ALA 655 -7.712 -6.828 -2.269 2 1HB ALA 655 1HB ALA 655 -6.807 -6.083 -4.315 3 2HB ALA 655 2HB ALA 655 -6.331 -4.525 -3.639 4 3HB ALA 655 3HB ALA 655 -8.032 -4.864 -3.962 5 H TRP 656 H TRP 656 -6.121 -4.149 -0.699 6 HA TRP 656 HA TRP 656 -3.406 -4.844 -0.788 7 1HB TRP 656 2HB TRP 656 -4.314 -2.835 0.276 8 2HB TRP 656 1HB TRP 656 -5.112 -3.818 1.504 9 HD1 TRP 656 HD TRP 656 -1.626 -2.731 0.338 10 HE1 TRP 656 1HE TRP 656 0.030 -3.059 2.286 11 HE3 TRP 656 3HE TRP 656 -4.670 -5.081 3.699 12 HZ2 TRP 656 2HZ TRP 656 0.061 -4.173 4.922 13 HZ3 TRP 656 3HZ TRP 656 -3.804 -5.764 5.917 14 HH2 TRP 656 HH TRP 656 -1.444 -5.314 6.533 15 H GLN 657 H GLN 657 -2.141 -6.400 0.265 16 HA GLN 657 HA GLN 657 -3.612 -8.389 1.971 17 1HB GLN 657 2HB GLN 657 -1.597 -8.644 -0.256 18 2HB GLN 657 1HB GLN 657 -1.768 -9.933 0.937 19 1HG GLN 657 2HG GLN 657 -4.327 -9.711 0.415 20 2HG GLN 657 1HG GLN 657 -3.772 -8.939 -1.070 21 1HE2 GLN 657 1HE2 GLN 657 -1.427 -10.464 -1.586 22 2HE2 GLN 657 2HE2 GLN 657 -1.875 -12.071 -1.897 23 H VAL 658 H VAL 658 -2.804 -8.437 4.027 24 HA VAL 658 HA VAL 658 -0.439 -6.999 4.831 25 HB VAL 658 HB VAL 658 -2.369 -7.394 6.282 26 1HG1 VAL 658 1HG1 VAL 658 -2.407 -9.898 5.155 27 2HG1 VAL 658 2HG1 VAL 658 -3.323 -9.433 6.590 28 3HG1 VAL 658 3HG1 VAL 658 -1.764 -10.240 6.761 29 1HG2 VAL 658 1HG2 VAL 658 -1.132 -8.492 8.243 30 2HG2 VAL 658 2HG2 VAL 658 -0.344 -7.094 7.511 31 3HG2 VAL 658 3HG2 VAL 658 0.216 -8.722 7.128 32 H ASN 659 H ASN 659 1.547 -7.941 5.692 33 HA ASN 659 HA ASN 659 3.383 -9.430 5.608 34 1HB ASN 659 2HB ASN 659 1.066 -10.798 6.364 35 2HB ASN 659 1HB ASN 659 1.769 -11.812 5.103 36 1HD2 ASN 659 1HD2 ASN 659 3.890 -12.753 5.502 37 2HD2 ASN 659 2HD2 ASN 659 4.592 -12.742 7.048 38 H THR 660 H THR 660 2.879 -8.159 3.196 39 HA THR 660 HA THR 660 3.543 -10.314 1.231 40 HB THR 660 HB THR 660 1.612 -8.019 0.772 41 HG1 THR 660 1HG THR 660 0.338 -9.270 1.871 42 1HG2 THR 660 1HG2 THR 660 3.011 -9.723 -0.997 43 2HG2 THR 660 2HG2 THR 660 1.696 -8.616 -1.391 44 3HG2 THR 660 3HG2 THR 660 1.343 -10.294 -0.976 45 H ALA 661 H ALA 661 5.301 -9.742 -0.009 46 HA ALA 661 HA ALA 661 6.611 -7.168 0.428 47 1HB ALA 661 1HB ALA 661 7.892 -9.215 0.183 48 2HB ALA 661 2HB ALA 661 8.240 -8.190 -1.210 49 3HB ALA 661 3HB ALA 661 7.133 -9.553 -1.373 50 H TYR 662 H TYR 662 6.019 -5.353 -0.686 51 HA TYR 662 HA TYR 662 4.740 -5.677 -3.373 52 1HB TYR 662 2HB TYR 662 4.668 -3.607 -1.176 53 2HB TYR 662 1HB TYR 662 4.084 -3.231 -2.797 54 HD1 TYR 662 1HD TYR 662 2.805 -3.911 0.213 55 HD2 TYR 662 2HD TYR 662 2.828 -5.676 -3.703 56 HE1 TYR 662 1HE TYR 662 0.665 -5.059 0.718 57 HE2 TYR 662 2HE TYR 662 0.688 -6.823 -3.199 58 HH TYR 662 HH TYR 662 -1.165 -6.694 -1.738 59 H THR 663 H THR 663 5.587 -4.506 -5.148 60 HA THR 663 HA THR 663 8.367 -3.493 -4.776 61 HB THR 663 HB THR 663 8.124 -3.648 -7.402 62 HG1 THR 663 1HG THR 663 6.424 -4.713 -8.086 63 1HG2 THR 663 1HG2 THR 663 8.544 -5.709 -5.320 64 2HG2 THR 663 2HG2 THR 663 9.586 -5.231 -6.662 65 3HG2 THR 663 3HG2 THR 663 8.231 -6.324 -6.944 66 H ALA 664 H ALA 664 8.955 -1.512 -6.043 67 HA ALA 664 HA ALA 664 7.296 0.721 -5.473 68 1HB ALA 664 1HB ALA 664 9.410 1.446 -5.887 69 2HB ALA 664 2HB ALA 664 8.919 1.480 -7.581 70 3HB ALA 664 3HB ALA 664 9.761 0.071 -6.934 71 H GLY 665 H GLY 665 5.360 1.232 -6.428 72 1HA GLY 665 2HA GLY 665 4.121 1.948 -8.396 73 2HA GLY 665 1HA GLY 665 5.100 0.849 -9.370 74 H GLN 666 H GLN 666 3.710 -0.145 -6.301 75 HA GLN 666 HA GLN 666 2.201 -2.268 -7.709 76 1HB GLN 666 2HB GLN 666 3.634 -2.017 -5.328 77 2HB GLN 666 1HB GLN 666 1.952 -2.092 -4.804 78 1HG GLN 666 2HG GLN 666 2.694 -4.017 -6.923 79 2HG GLN 666 1HG GLN 666 3.455 -4.293 -5.356 80 1HE2 GLN 666 1HE2 GLN 666 1.516 -6.129 -6.331 81 2HE2 GLN 666 2HE2 GLN 666 0.120 -6.012 -5.375 82 H LEU 667 H LEU 667 -0.029 -2.723 -6.418 83 HA LEU 667 HA LEU 667 -1.501 -0.154 -6.019 84 1HB LEU 667 2HB LEU 667 -1.508 -1.711 -8.356 85 2HB LEU 667 1HB LEU 667 -3.019 -2.114 -7.541 86 HG LEU 667 HG LEU 667 -2.111 0.744 -7.923 87 1HD1 LEU 667 1HD1 LEU 667 -3.617 -1.094 -9.779 88 2HD1 LEU 667 2HD1 LEU 667 -2.310 0.029 -10.157 89 3HD1 LEU 667 3HD1 LEU 667 -3.922 0.644 -9.793 90 1HD2 LEU 667 1HD2 LEU 667 -3.833 0.351 -6.217 91 2HD2 LEU 667 2HD2 LEU 667 -4.794 -0.567 -7.374 92 3HD2 LEU 667 3HD2 LEU 667 -4.547 1.162 -7.610 93 H VAL 668 H VAL 668 -2.433 -0.389 -4.015 94 HA VAL 668 HA VAL 668 -3.665 -3.043 -3.350 95 HB VAL 668 HB VAL 668 -2.732 -2.907 -1.168 96 1HG1 VAL 668 1HG1 VAL 668 -1.092 -2.900 -3.378 97 2HG1 VAL 668 2HG1 VAL 668 -0.561 -3.241 -1.731 98 3HG1 VAL 668 3HG1 VAL 668 -0.390 -1.615 -2.394 99 1HG2 VAL 668 1HG2 VAL 668 -2.371 0.010 -1.846 100 2HG2 VAL 668 2HG2 VAL 668 -1.419 -0.733 -0.560 101 3HG2 VAL 668 3HG2 VAL 668 -3.179 -0.708 -0.452 102 H THR 669 H THR 669 -5.552 -2.862 -1.918 103 HA THR 669 HA THR 669 -6.644 -0.098 -1.589 104 HB THR 669 HB THR 669 -8.833 -1.066 -2.469 105 HG1 THR 669 1HG THR 669 -8.682 -2.973 -3.605 106 1HG2 THR 669 1HG2 THR 669 -7.871 -1.153 -4.907 107 2HG2 THR 669 2HG2 THR 669 -6.358 -0.690 -4.127 108 3HG2 THR 669 3HG2 THR 669 -7.775 0.352 -3.991 109 H TYR 670 H TYR 670 -7.236 0.090 0.560 110 HA TYR 670 HA TYR 670 -7.545 -2.322 2.203 111 1HB TYR 670 2HB TYR 670 -7.739 0.662 2.658 112 2HB TYR 670 1HB TYR 670 -8.008 -0.509 3.952 113 HD1 TYR 670 1HD TYR 670 -6.154 -2.363 4.223 114 HD2 TYR 670 2HD TYR 670 -5.572 1.382 2.216 115 HE1 TYR 670 1HE TYR 670 -3.700 -2.589 4.514 116 HE2 TYR 670 2HE TYR 670 -3.119 1.163 2.505 117 HH TYR 670 HH TYR 670 -1.474 -0.059 3.334 118 H ASN 671 H ASN 671 -9.554 -1.963 3.886 119 HA ASN 671 HA ASN 671 -11.878 -2.953 2.969 120 1HB ASN 671 2HB ASN 671 -11.260 -0.808 4.967 121 2HB ASN 671 1HB ASN 671 -12.951 -1.208 4.658 122 1HD2 ASN 671 1HD2 ASN 671 -13.742 -2.876 5.942 123 2HD2 ASN 671 2HD2 ASN 671 -12.798 -4.101 6.640 124 H GLY 672 H GLY 672 -11.039 0.499 2.609 125 1HA GLY 672 2HA GLY 672 -12.757 0.670 0.246 126 2HA GLY 672 1HA GLY 672 -13.347 1.605 1.620 127 H LYS 673 H LYS 673 -9.998 1.031 0.513 128 HA LYS 673 HA LYS 673 -9.781 3.958 -0.063 129 1HB LYS 673 2HB LYS 673 -7.936 2.302 1.687 130 2HB LYS 673 1HB LYS 673 -7.716 4.004 1.280 131 1HG LYS 673 2HG LYS 673 -10.212 2.975 2.639 132 2HG LYS 673 1HG LYS 673 -8.806 3.547 3.537 133 1HD LYS 673 2HD LYS 673 -9.015 5.639 1.953 134 2HD LYS 673 1HD LYS 673 -10.682 5.090 1.781 135 1HE LYS 673 2HE LYS 673 -10.691 4.970 4.382 136 2HE LYS 673 1HE LYS 673 -9.259 6.014 4.277 137 1HZ LYS 673 1HZ LYS 673 -10.737 7.258 2.541 138 2HZ LYS 673 2HZ LYS 673 -10.917 7.574 4.201 139 3HZ LYS 673 3HZ LYS 673 -12.013 6.548 3.405 140 H THR 674 H THR 674 -8.191 4.471 -1.615 141 HA THR 674 HA THR 674 -7.112 2.139 -3.145 142 HB THR 674 HB THR 674 -7.181 5.006 -4.062 143 HG1 THR 674 1HG THR 674 -9.339 4.481 -4.815 144 1HG2 THR 674 1HG2 THR 674 -7.427 2.289 -5.368 145 2HG2 THR 674 2HG2 THR 674 -6.135 3.472 -5.575 146 3HG2 THR 674 3HG2 THR 674 -7.741 3.797 -6.227 147 H TYR 675 H TYR 675 -4.938 1.760 -2.948 148 HA TYR 675 HA TYR 675 -3.145 4.062 -2.251 149 1HB TYR 675 2HB TYR 675 -3.462 1.317 -1.060 150 2HB TYR 675 1HB TYR 675 -1.909 2.143 -0.958 151 HD1 TYR 675 1HD TYR 675 -5.378 2.080 0.186 152 HD2 TYR 675 2HD TYR 675 -1.701 4.294 0.253 153 HE1 TYR 675 1HE TYR 675 -6.215 3.413 2.094 154 HE2 TYR 675 2HE TYR 675 -2.547 5.633 2.158 155 HH TYR 675 HH TYR 675 -5.088 6.244 2.996 156 H LYS 676 H LYS 676 -0.901 3.725 -2.943 157 HA LYS 676 HA LYS 676 -0.493 1.564 -4.957 158 1HB LYS 676 2HB LYS 676 -0.064 3.082 -6.671 159 2HB LYS 676 1HB LYS 676 -1.304 3.956 -5.778 160 1HG LYS 676 2HG LYS 676 0.670 4.995 -4.456 161 2HG LYS 676 1HG LYS 676 1.676 4.412 -5.782 162 1HD LYS 676 2HD LYS 676 -0.588 5.639 -6.959 163 2HD LYS 676 1HD LYS 676 -0.012 6.738 -5.706 164 1HE LYS 676 2HE LYS 676 1.764 7.330 -6.983 165 2HE LYS 676 1HE LYS 676 2.229 5.629 -7.187 166 1HZ LYS 676 1HZ LYS 676 1.559 6.721 -9.296 167 2HZ LYS 676 2HZ LYS 676 0.000 6.934 -8.654 168 3HZ LYS 676 3HZ LYS 676 0.611 5.369 -8.908 169 H CYS 677 H CYS 677 1.488 0.636 -4.648 170 HA CYS 677 HA CYS 677 3.280 1.628 -2.579 171 1HB CYS 677 2HB CYS 677 2.655 -0.785 -3.673 172 2HB CYS 677 1HB CYS 677 4.176 -0.447 -4.496 173 HG CYS 677 HG CYS 677 5.163 -1.315 -2.374 174 H LEU 678 H LEU 678 5.190 2.767 -2.861 175 HA LEU 678 HA LEU 678 5.913 3.506 -5.677 176 1HB LEU 678 2HB LEU 678 5.330 4.988 -3.275 177 2HB LEU 678 1HB LEU 678 6.985 5.330 -3.783 178 HG LEU 678 HG LEU 678 5.001 5.264 -5.972 179 1HD1 LEU 678 1HD1 LEU 678 3.601 6.885 -5.256 180 2HD1 LEU 678 2HD1 LEU 678 4.936 7.858 -4.639 181 3HD1 LEU 678 3HD1 LEU 678 4.236 6.585 -3.638 182 1HD2 LEU 678 1HD2 LEU 678 6.522 7.686 -5.724 183 2HD2 LEU 678 2HD2 LEU 678 6.696 6.402 -6.920 184 3HD2 LEU 678 3HD2 LEU 678 7.585 6.316 -5.400 185 H GLN 679 H GLN 679 6.962 1.789 -2.939 186 HA GLN 679 HA GLN 679 9.722 1.678 -4.047 187 1HB GLN 679 2HB GLN 679 8.909 3.188 -1.787 188 2HB GLN 679 1HB GLN 679 9.807 1.801 -1.169 189 1HG GLN 679 2HG GLN 679 11.722 2.333 -2.518 190 2HG GLN 679 1HG GLN 679 10.820 3.549 -3.424 191 1HE2 GLN 679 1HE2 GLN 679 9.786 5.315 -1.829 192 2HE2 GLN 679 2HE2 GLN 679 10.838 5.893 -0.630 193 HA PRO 680 HA PRO 680 9.090 -2.641 -3.231 194 1HB PRO 680 2HB PRO 680 11.919 -3.057 -2.906 195 2HB PRO 680 1HB PRO 680 10.922 -3.413 -4.320 196 1HG PRO 680 2HG PRO 680 12.867 -1.328 -4.022 197 2HG PRO 680 1HG PRO 680 11.857 -1.678 -5.429 198 1HD PRO 680 2HD PRO 680 11.630 0.543 -3.598 199 2HD PRO 680 1HD PRO 680 10.613 0.185 -5.015 200 H HIS 681 H HIS 681 8.171 -2.511 -1.098 201 HA HIS 681 HA HIS 681 10.160 -2.822 1.126 202 1HB HIS 681 2HB HIS 681 7.734 -1.073 0.814 203 2HB HIS 681 1HB HIS 681 8.209 -1.611 2.425 204 HD1 HIS 681 1HD HIS 681 9.995 -0.128 -0.614 205 HD2 HIS 681 2HD HIS 681 10.020 0.140 3.546 206 HE1 HIS 681 1HE HIS 681 11.749 1.597 -0.021 207 H THR 682 H THR 682 8.385 -3.400 3.165 208 HA THR 682 HA THR 682 6.943 -5.834 2.159 209 HB THR 682 HB THR 682 8.590 -5.363 4.662 210 HG1 THR 682 1HG THR 682 10.028 -6.630 3.691 211 1HG2 THR 682 1HG2 THR 682 6.874 -7.702 3.806 212 2HG2 THR 682 2HG2 THR 682 6.757 -6.769 5.298 213 3HG2 THR 682 3HG2 THR 682 8.136 -7.834 5.032 214 H SER 683 H SER 683 4.775 -5.708 2.573 215 HA SER 683 HA SER 683 3.736 -3.718 4.489 216 1HB SER 683 2HB SER 683 1.650 -4.205 3.423 217 2HB SER 683 1HB SER 683 2.856 -4.285 2.142 218 HG SER 683 HG SER 683 1.747 -6.452 3.610 219 H LEU 684 H LEU 684 2.869 -4.243 6.496 220 HA LEU 684 HA LEU 684 2.372 -7.101 7.150 221 1HB LEU 684 2HB LEU 684 3.984 -7.165 8.858 222 2HB LEU 684 1HB LEU 684 4.803 -6.237 7.603 223 HG LEU 684 HG LEU 684 3.382 -5.141 10.046 224 1HD1 LEU 684 1HD1 LEU 684 5.893 -4.067 9.964 225 2HD1 LEU 684 2HD1 LEU 684 6.185 -5.660 9.267 226 3HD1 LEU 684 3HD1 LEU 684 5.470 -5.518 10.873 227 1HD2 LEU 684 1HD2 LEU 684 4.311 -2.928 9.095 228 2HD2 LEU 684 2HD2 LEU 684 2.874 -3.594 8.319 229 3HD2 LEU 684 3HD2 LEU 684 4.455 -3.792 7.564 230 H ALA 685 H ALA 685 1.671 -7.069 9.677 231 HA ALA 685 HA ALA 685 -0.796 -5.638 9.834 232 1HB ALA 685 1HB ALA 685 0.430 -6.404 12.385 233 2HB ALA 685 2HB ALA 685 0.544 -7.676 11.168 234 3HB ALA 685 3HB ALA 685 -1.032 -7.024 11.618 235 H GLY 686 H GLY 686 0.218 -3.434 9.256 236 1HA GLY 686 2HA GLY 686 0.190 -1.708 11.497 237 2HA GLY 686 1HA GLY 686 1.881 -2.040 11.117 238 H TRP 687 H TRP 687 1.555 -2.275 8.267 239 HA TRP 687 HA TRP 687 1.409 0.603 7.609 240 1HB TRP 687 2HB TRP 687 2.278 -1.929 6.204 241 2HB TRP 687 1HB TRP 687 2.218 -0.378 5.366 242 HD1 TRP 687 HD TRP 687 3.030 0.590 8.689 243 HE1 TRP 687 1HE TRP 687 5.569 0.830 9.065 244 HE3 TRP 687 3HE TRP 687 4.763 -1.896 4.583 245 HZ2 TRP 687 2HZ TRP 687 8.013 0.064 7.790 246 HZ3 TRP 687 3HZ TRP 687 7.198 -2.124 4.185 247 HH2 TRP 687 HH TRP 687 8.825 -1.146 5.782 248 H GLU 688 H GLU 688 -1.120 -0.652 8.267 249 HA GLU 688 HA GLU 688 -2.472 -1.136 5.687 250 1HB GLU 688 2HB GLU 688 -4.069 -0.847 8.173 251 2HB GLU 688 1HB GLU 688 -4.104 -2.115 6.956 252 1HG GLU 688 2HG GLU 688 -1.838 -2.874 7.903 253 2HG GLU 688 1HG GLU 688 -2.189 -1.821 9.274 254 HA PRO 689 HA PRO 689 -4.633 2.936 7.094 255 1HB PRO 689 2HB PRO 689 -2.951 4.241 9.028 256 2HB PRO 689 1HB PRO 689 -4.581 3.601 9.265 257 1HG PRO 689 2HG PRO 689 -2.186 2.575 10.373 258 2HG PRO 689 1HG PRO 689 -3.782 1.821 10.420 259 1HD PRO 689 2HD PRO 689 -1.442 1.093 8.795 260 2HD PRO 689 1HD PRO 689 -2.919 0.155 9.117 261 H SER 690 H SER 690 -1.415 2.328 6.317 262 HA SER 690 HA SER 690 0.100 3.444 4.894 263 1HB SER 690 2HB SER 690 -0.942 4.705 3.255 264 2HB SER 690 1HB SER 690 -2.363 3.944 3.962 265 HG SER 690 HG SER 690 -2.921 5.994 4.120 266 H ASN 691 H ASN 691 0.805 3.908 7.355 267 HA ASN 691 HA ASN 691 0.594 6.737 8.145 268 1HB ASN 691 2HB ASN 691 2.396 4.622 9.330 269 2HB ASN 691 1HB ASN 691 1.617 5.977 10.144 270 1HD2 ASN 691 1HD2 ASN 691 1.093 2.717 8.880 271 2HD2 ASN 691 2HD2 ASN 691 -0.438 2.498 9.578 272 H VAL 692 H VAL 692 2.362 5.347 5.768 273 HA VAL 692 HA VAL 692 4.626 7.260 6.187 274 HB VAL 692 HB VAL 692 6.119 5.426 5.314 275 1HG1 VAL 692 1HG1 VAL 692 6.108 5.788 7.679 276 2HG1 VAL 692 2HG1 VAL 692 5.955 4.046 7.453 277 3HG1 VAL 692 3HG1 VAL 692 4.536 5.013 7.859 278 1HG2 VAL 692 1HG2 VAL 692 4.583 4.010 4.160 279 2HG2 VAL 692 2HG2 VAL 692 3.523 3.892 5.564 280 3HG2 VAL 692 3HG2 VAL 692 5.092 3.089 5.574 281 HA PRO 693 HA PRO 693 2.637 7.816 2.040 282 1HB PRO 693 2HB PRO 693 3.611 10.520 2.198 283 2HB PRO 693 1HB PRO 693 1.939 9.959 2.282 284 1HG PRO 693 2HG PRO 693 3.560 10.995 4.415 285 2HG PRO 693 1HG PRO 693 1.886 10.439 4.492 286 1HD PRO 693 2HD PRO 693 4.221 9.141 5.569 287 2HD PRO 693 1HD PRO 693 2.536 8.568 5.619 288 H ALA 694 H ALA 694 5.806 8.191 3.376 289 HA ALA 694 HA ALA 694 7.385 9.132 1.266 290 1HB ALA 694 1HB ALA 694 8.294 8.569 3.431 291 2HB ALA 694 2HB ALA 694 9.095 7.528 2.254 292 3HB ALA 694 3HB ALA 694 7.796 6.886 3.262 293 H LEU 695 H LEU 695 5.956 5.899 1.679 294 HA LEU 695 HA LEU 695 6.679 5.324 -1.175 295 1HB LEU 695 2HB LEU 695 6.855 2.901 -0.277 296 2HB LEU 695 1HB LEU 695 8.161 4.012 0.134 297 HG LEU 695 HG LEU 695 7.008 4.492 2.302 298 1HD1 LEU 695 1HD1 LEU 695 5.049 2.598 1.076 299 2HD1 LEU 695 2HD1 LEU 695 4.761 4.001 2.104 300 3HD1 LEU 695 3HD1 LEU 695 5.313 2.485 2.816 301 1HD2 LEU 695 1HD2 LEU 695 7.721 2.461 3.373 302 2HD2 LEU 695 2HD2 LEU 695 8.784 2.699 1.986 303 3HD2 LEU 695 3HD2 LEU 695 7.471 1.525 1.899 304 H TRP 696 H TRP 696 4.215 5.805 1.009 305 HA TRP 696 HA TRP 696 2.356 3.918 -0.391 306 1HB TRP 696 2HB TRP 696 2.660 5.007 2.357 307 2HB TRP 696 1HB TRP 696 1.002 4.841 1.780 308 HD1 TRP 696 HD TRP 696 2.869 3.002 3.937 309 HE1 TRP 696 1HE TRP 696 2.670 0.448 3.671 310 HE3 TRP 696 3HE TRP 696 0.978 2.756 -0.805 311 HZ2 TRP 696 2HZ TRP 696 1.823 -1.450 1.703 312 HZ3 TRP 696 3HZ TRP 696 0.487 0.564 -1.847 313 HH2 TRP 696 HH TRP 696 0.905 -1.539 -0.600 314 H GLN 697 H GLN 697 1.920 5.331 -2.206 315 HA GLN 697 HA GLN 697 0.819 8.031 -1.583 316 1HB GLN 697 2HB GLN 697 2.608 7.593 -3.328 317 2HB GLN 697 1HB GLN 697 1.394 6.704 -4.249 318 1HG GLN 697 2HG GLN 697 0.141 8.618 -4.705 319 2HG GLN 697 1HG GLN 697 0.782 9.492 -3.313 320 1HE2 GLN 697 1HE2 GLN 697 3.016 10.355 -3.495 321 2HE2 GLN 697 2HE2 GLN 697 3.711 10.607 -5.023 322 H LEU 698 H LEU 698 -1.344 7.870 -1.060 323 HA LEU 698 HA LEU 698 -3.047 5.901 -2.485 324 1HB LEU 698 2HB LEU 698 -4.450 6.120 -0.623 325 2HB LEU 698 1HB LEU 698 -2.870 6.446 0.082 326 HG LEU 698 HG LEU 698 -3.519 8.948 -0.686 327 1HD1 LEU 698 1HD1 LEU 698 -6.112 8.687 0.358 328 2HD1 LEU 698 2HD1 LEU 698 -5.973 7.400 -0.841 329 3HD1 LEU 698 3HD1 LEU 698 -5.683 9.076 -1.309 330 1HD2 LEU 698 1HD2 LEU 698 -3.317 7.512 1.712 331 2HD2 LEU 698 2HD2 LEU 698 -4.866 8.346 1.825 332 3HD2 LEU 698 3HD2 LEU 698 -3.387 9.266 1.546 333 H GLN 699 H GLN 699 -5.449 7.000 -2.649 334 HA GLN 699 HA GLN 699 -5.385 9.743 -3.707 335 1HB GLN 699 2HB GLN 699 -6.106 8.909 -5.997 336 2HB GLN 699 1HB GLN 699 -4.430 8.552 -5.577 337 1HG GLN 699 2HG GLN 699 -4.845 6.289 -5.268 338 2HG GLN 699 1HG GLN 699 -6.546 6.549 -4.879 339 1HE2 GLN 699 1HE2 GLN 699 -7.994 7.163 -6.748 340 2HE2 GLN 699 2HE2 GLN 699 -7.582 6.641 -8.310 Start of MODEL 14 1 HA ALA 655 HA ALA 655 -7.629 -5.371 -2.039 2 1HB ALA 655 1HB ALA 655 -7.783 -7.802 -1.897 3 2HB ALA 655 2HB ALA 655 -6.759 -7.981 -3.322 4 3HB ALA 655 3HB ALA 655 -8.374 -7.290 -3.478 5 H TRP 656 H TRP 656 -6.017 -4.498 -0.715 6 HA TRP 656 HA TRP 656 -3.229 -5.129 -0.863 7 1HB TRP 656 2HB TRP 656 -4.020 -3.121 0.204 8 2HB TRP 656 1HB TRP 656 -5.039 -4.043 1.309 9 HD1 TRP 656 HD TRP 656 -1.374 -3.195 0.610 10 HE1 TRP 656 1HE TRP 656 0.014 -3.729 2.716 11 HE3 TRP 656 3HE TRP 656 -4.950 -5.457 3.473 12 HZ2 TRP 656 2HZ TRP 656 -0.346 -4.950 5.278 13 HZ3 TRP 656 3HZ TRP 656 -4.400 -6.294 5.740 14 HH2 TRP 656 HH TRP 656 -2.105 -6.045 6.645 15 H GLN 657 H GLN 657 -1.972 -6.420 0.676 16 HA GLN 657 HA GLN 657 -3.530 -8.534 2.113 17 1HB GLN 657 2HB GLN 657 -1.560 -8.717 -0.109 18 2HB GLN 657 1HB GLN 657 -1.402 -9.919 1.172 19 1HG GLN 657 2HG GLN 657 -4.027 -10.115 0.867 20 2HG GLN 657 1HG GLN 657 -3.669 -9.470 -0.735 21 1HE2 GLN 657 1HE2 GLN 657 -3.763 -12.348 1.103 22 2HE2 GLN 657 2HE2 GLN 657 -2.888 -13.338 0.036 23 H VAL 658 H VAL 658 -2.639 -9.078 4.106 24 HA VAL 658 HA VAL 658 -0.516 -7.371 5.168 25 HB VAL 658 HB VAL 658 -2.423 -7.978 6.524 26 1HG1 VAL 658 1HG1 VAL 658 -2.038 -10.527 5.248 27 2HG1 VAL 658 2HG1 VAL 658 -3.412 -9.976 6.208 28 3HG1 VAL 658 3HG1 VAL 658 -2.038 -10.751 6.997 29 1HG2 VAL 658 1HG2 VAL 658 0.108 -9.422 7.360 30 2HG2 VAL 658 2HG2 VAL 658 -1.268 -9.160 8.432 31 3HG2 VAL 658 3HG2 VAL 658 -0.374 -7.781 7.792 32 H ASN 659 H ASN 659 1.551 -8.078 5.861 33 HA ASN 659 HA ASN 659 3.525 -9.378 5.779 34 1HB ASN 659 2HB ASN 659 1.652 -10.891 6.876 35 2HB ASN 659 1HB ASN 659 1.777 -11.788 5.362 36 1HD2 ASN 659 1HD2 ASN 659 2.778 -13.635 6.482 37 2HD2 ASN 659 2HD2 ASN 659 4.386 -13.557 7.020 38 H THR 660 H THR 660 2.631 -8.218 3.345 39 HA THR 660 HA THR 660 3.431 -10.323 1.359 40 HB THR 660 HB THR 660 1.500 -7.994 1.082 41 HG1 THR 660 1HG THR 660 0.633 -9.676 2.279 42 1HG2 THR 660 1HG2 THR 660 2.881 -9.675 -0.858 43 2HG2 THR 660 2HG2 THR 660 1.918 -8.222 -1.123 44 3HG2 THR 660 3HG2 THR 660 1.128 -9.795 -1.012 45 H ALA 661 H ALA 661 4.861 -9.601 -0.301 46 HA ALA 661 HA ALA 661 6.299 -7.067 0.335 47 1HB ALA 661 1HB ALA 661 7.915 -8.685 0.193 48 2HB ALA 661 2HB ALA 661 7.782 -8.376 -1.539 49 3HB ALA 661 3HB ALA 661 6.914 -9.730 -0.814 50 H TYR 662 H TYR 662 5.565 -5.346 -0.852 51 HA TYR 662 HA TYR 662 4.531 -5.822 -3.609 52 1HB TYR 662 2HB TYR 662 4.307 -3.622 -1.546 53 2HB TYR 662 1HB TYR 662 3.773 -3.385 -3.211 54 HD1 TYR 662 1HD TYR 662 2.602 -4.187 -0.071 55 HD2 TYR 662 2HD TYR 662 2.425 -5.629 -4.114 56 HE1 TYR 662 1HE TYR 662 0.480 -5.364 0.440 57 HE2 TYR 662 2HE TYR 662 0.302 -6.806 -3.602 58 HH TYR 662 HH TYR 662 -0.894 -7.680 -1.676 59 H THR 663 H THR 663 5.292 -4.380 -5.335 60 HA THR 663 HA THR 663 8.151 -3.614 -4.979 61 HB THR 663 HB THR 663 7.796 -3.424 -7.586 62 HG1 THR 663 1HG THR 663 5.648 -3.587 -7.771 63 1HG2 THR 663 1HG2 THR 663 7.909 -5.889 -5.875 64 2HG2 THR 663 2HG2 THR 663 9.168 -5.173 -6.881 65 3HG2 THR 663 3HG2 THR 663 7.833 -6.050 -7.630 66 H ALA 664 H ALA 664 8.682 -1.612 -6.524 67 HA ALA 664 HA ALA 664 7.281 0.682 -5.423 68 1HB ALA 664 1HB ALA 664 9.681 0.030 -6.903 69 2HB ALA 664 2HB ALA 664 9.342 1.459 -5.926 70 3HB ALA 664 3HB ALA 664 8.884 1.426 -7.630 71 H GLY 665 H GLY 665 5.423 1.544 -6.239 72 1HA GLY 665 2HA GLY 665 4.055 2.460 -7.986 73 2HA GLY 665 1HA GLY 665 4.963 1.509 -9.163 74 H GLN 666 H GLN 666 3.757 0.058 -6.218 75 HA GLN 666 HA GLN 666 2.136 -1.820 -7.822 76 1HB GLN 666 2HB GLN 666 3.600 -1.786 -5.367 77 2HB GLN 666 1HB GLN 666 1.927 -2.198 -4.989 78 1HG GLN 666 2HG GLN 666 3.543 -3.543 -7.171 79 2HG GLN 666 1HG GLN 666 3.354 -4.193 -5.542 80 1HE2 GLN 666 1HE2 GLN 666 2.156 -4.698 -8.527 81 2HE2 GLN 666 2HE2 GLN 666 0.549 -5.102 -8.159 82 H LEU 667 H LEU 667 -0.066 -2.417 -6.639 83 HA LEU 667 HA LEU 667 -1.459 0.091 -5.781 84 1HB LEU 667 2HB LEU 667 -1.622 -0.600 -8.277 85 2HB LEU 667 1HB LEU 667 -2.645 -1.916 -7.698 86 HG LEU 667 HG LEU 667 -3.118 1.045 -7.248 87 1HD1 LEU 667 1HD1 LEU 667 -3.638 0.293 -9.532 88 2HD1 LEU 667 2HD1 LEU 667 -5.124 0.637 -8.645 89 3HD1 LEU 667 3HD1 LEU 667 -4.606 -1.032 -8.885 90 1HD2 LEU 667 1HD2 LEU 667 -4.030 0.087 -5.332 91 2HD2 LEU 667 2HD2 LEU 667 -4.369 -1.445 -6.138 92 3HD2 LEU 667 3HD2 LEU 667 -5.393 -0.043 -6.443 93 H VAL 668 H VAL 668 -2.649 -0.272 -3.957 94 HA VAL 668 HA VAL 668 -3.633 -3.050 -3.414 95 HB VAL 668 HB VAL 668 -2.788 -2.904 -1.183 96 1HG1 VAL 668 1HG1 VAL 668 -0.449 -2.713 -1.522 97 2HG1 VAL 668 2HG1 VAL 668 -0.649 -1.482 -2.769 98 3HG1 VAL 668 3HG1 VAL 668 -1.090 -3.157 -3.105 99 1HG2 VAL 668 1HG2 VAL 668 -2.474 0.036 -1.817 100 2HG2 VAL 668 2HG2 VAL 668 -1.655 -0.713 -0.447 101 3HG2 VAL 668 3HG2 VAL 668 -3.417 -0.704 -0.524 102 H THR 669 H THR 669 -5.458 -3.010 -1.774 103 HA THR 669 HA THR 669 -6.865 -0.371 -1.661 104 HB THR 669 HB THR 669 -8.926 -1.547 -2.403 105 HG1 THR 669 1HG THR 669 -8.640 -3.667 -3.239 106 1HG2 THR 669 1HG2 THR 669 -6.678 -2.076 -4.355 107 2HG2 THR 669 2HG2 THR 669 -7.280 -0.454 -4.014 108 3HG2 THR 669 3HG2 THR 669 -8.353 -1.662 -4.720 109 H TYR 670 H TYR 670 -7.502 -0.001 0.415 110 HA TYR 670 HA TYR 670 -7.694 -2.311 2.297 111 1HB TYR 670 2HB TYR 670 -7.333 0.682 2.565 112 2HB TYR 670 1HB TYR 670 -7.661 -0.346 3.960 113 HD1 TYR 670 1HD TYR 670 -6.094 -2.336 4.394 114 HD2 TYR 670 2HD TYR 670 -5.153 0.859 1.682 115 HE1 TYR 670 1HE TYR 670 -3.695 -2.954 4.496 116 HE2 TYR 670 2HE TYR 670 -2.754 0.241 1.785 117 HH TYR 670 HH TYR 670 -1.276 -1.268 2.509 118 H ASN 671 H ASN 671 -9.810 -3.084 2.117 119 HA ASN 671 HA ASN 671 -12.165 -3.078 2.330 120 1HB ASN 671 2HB ASN 671 -11.155 -0.751 3.941 121 2HB ASN 671 1HB ASN 671 -12.893 -0.986 3.771 122 1HD2 ASN 671 1HD2 ASN 671 -11.314 -1.326 6.257 123 2HD2 ASN 671 2HD2 ASN 671 -11.514 -2.944 6.731 124 H GLY 672 H GLY 672 -11.956 0.440 2.342 125 1HA GLY 672 2HA GLY 672 -13.091 0.464 -0.425 126 2HA GLY 672 1HA GLY 672 -13.753 1.484 0.853 127 H LYS 673 H LYS 673 -10.310 0.840 0.413 128 HA LYS 673 HA LYS 673 -9.957 3.685 -0.474 129 1HB LYS 673 2HB LYS 673 -8.661 2.080 1.729 130 2HB LYS 673 1HB LYS 673 -7.845 3.481 1.036 131 1HG LYS 673 2HG LYS 673 -10.697 3.654 2.010 132 2HG LYS 673 1HG LYS 673 -9.336 3.885 3.110 133 1HD LYS 673 2HD LYS 673 -8.595 5.812 1.998 134 2HD LYS 673 1HD LYS 673 -9.451 5.398 0.512 135 1HE LYS 673 2HE LYS 673 -11.085 5.846 2.987 136 2HE LYS 673 1HE LYS 673 -10.429 7.262 2.140 137 1HZ LYS 673 1HZ LYS 673 -11.424 6.595 0.130 138 2HZ LYS 673 2HZ LYS 673 -12.639 6.409 1.304 139 3HZ LYS 673 3HZ LYS 673 -11.802 5.051 0.722 140 H THR 674 H THR 674 -7.789 4.016 -1.545 141 HA THR 674 HA THR 674 -6.623 1.507 -2.677 142 HB THR 674 HB THR 674 -7.249 3.918 -4.377 143 HG1 THR 674 1HG THR 674 -9.270 3.469 -4.142 144 1HG2 THR 674 1HG2 THR 674 -7.544 1.314 -5.588 145 2HG2 THR 674 2HG2 THR 674 -5.977 1.431 -4.787 146 3HG2 THR 674 3HG2 THR 674 -6.430 2.613 -6.014 147 H TYR 675 H TYR 675 -4.426 1.599 -2.520 148 HA TYR 675 HA TYR 675 -3.120 4.299 -2.425 149 1HB TYR 675 2HB TYR 675 -2.506 1.708 -0.972 150 2HB TYR 675 1HB TYR 675 -1.473 3.136 -0.914 151 HD1 TYR 675 1HD TYR 675 -2.047 5.045 0.418 152 HD2 TYR 675 2HD TYR 675 -4.838 1.818 -0.072 153 HE1 TYR 675 1HE TYR 675 -3.465 5.999 2.213 154 HE2 TYR 675 2HE TYR 675 -6.255 2.771 1.725 155 HH TYR 675 HH TYR 675 -5.204 5.060 3.876 156 H LYS 676 H LYS 676 -0.775 4.188 -3.155 157 HA LYS 676 HA LYS 676 -0.377 2.058 -5.231 158 1HB LYS 676 2HB LYS 676 -0.621 4.965 -5.399 159 2HB LYS 676 1HB LYS 676 0.862 4.377 -6.151 160 1HG LYS 676 2HG LYS 676 -0.521 4.043 -7.944 161 2HG LYS 676 1HG LYS 676 -0.893 2.543 -7.093 162 1HD LYS 676 2HD LYS 676 -3.027 3.190 -6.815 163 2HD LYS 676 1HD LYS 676 -2.500 4.663 -6.001 164 1HE LYS 676 2HE LYS 676 -3.713 5.436 -7.905 165 2HE LYS 676 1HE LYS 676 -2.011 5.562 -8.395 166 1HZ LYS 676 1HZ LYS 676 -3.455 4.359 -10.019 167 2HZ LYS 676 2HZ LYS 676 -3.679 3.148 -8.849 168 3HZ LYS 676 3HZ LYS 676 -2.126 3.459 -9.468 169 H CYS 677 H CYS 677 1.225 0.882 -4.142 170 HA CYS 677 HA CYS 677 3.251 1.791 -2.438 171 1HB CYS 677 2HB CYS 677 2.532 -0.538 -3.888 172 2HB CYS 677 1HB CYS 677 4.236 -0.244 -4.234 173 HG CYS 677 HG CYS 677 4.818 -0.567 -1.791 174 H LEU 678 H LEU 678 5.267 2.768 -2.757 175 HA LEU 678 HA LEU 678 5.925 3.572 -5.575 176 1HB LEU 678 2HB LEU 678 5.142 5.266 -3.757 177 2HB LEU 678 1HB LEU 678 6.748 5.032 -3.066 178 HG LEU 678 HG LEU 678 6.674 5.521 -5.987 179 1HD1 LEU 678 1HD1 LEU 678 4.973 7.112 -5.335 180 2HD1 LEU 678 2HD1 LEU 678 6.474 8.005 -5.578 181 3HD1 LEU 678 3HD1 LEU 678 5.925 7.633 -3.944 182 1HD2 LEU 678 1HD2 LEU 678 8.475 7.234 -4.941 183 2HD2 LEU 678 2HD2 LEU 678 8.844 5.533 -5.223 184 3HD2 LEU 678 3HD2 LEU 678 8.382 6.080 -3.610 185 H GLN 679 H GLN 679 7.009 1.934 -2.737 186 HA GLN 679 HA GLN 679 9.720 1.645 -3.970 187 1HB GLN 679 2HB GLN 679 8.871 2.684 -1.326 188 2HB GLN 679 1HB GLN 679 10.240 1.572 -1.297 189 1HG GLN 679 2HG GLN 679 11.520 2.948 -2.761 190 2HG GLN 679 1HG GLN 679 10.111 3.911 -3.208 191 1HE2 GLN 679 1HE2 GLN 679 9.083 5.170 -1.299 192 2HE2 GLN 679 2HE2 GLN 679 10.140 5.798 -0.129 193 HA PRO 680 HA PRO 680 8.834 -2.670 -3.417 194 1HB PRO 680 2HB PRO 680 11.639 -3.282 -3.213 195 2HB PRO 680 1HB PRO 680 10.582 -3.478 -4.614 196 1HG PRO 680 2HG PRO 680 12.667 -1.549 -4.251 197 2HG PRO 680 1HG PRO 680 11.586 -1.728 -5.637 198 1HD PRO 680 2HD PRO 680 11.574 0.356 -3.632 199 2HD PRO 680 1HD PRO 680 10.506 0.189 -5.047 200 H HIS 681 H HIS 681 7.987 -2.730 -1.274 201 HA HIS 681 HA HIS 681 10.000 -3.305 0.868 202 1HB HIS 681 2HB HIS 681 7.675 -1.365 0.852 203 2HB HIS 681 1HB HIS 681 8.398 -1.943 2.353 204 HD1 HIS 681 1HD HIS 681 11.315 -1.994 0.712 205 HD2 HIS 681 2HD HIS 681 8.816 1.241 1.530 206 HE1 HIS 681 1HE HIS 681 12.767 0.078 0.606 207 H THR 682 H THR 682 8.240 -3.787 2.934 208 HA THR 682 HA THR 682 6.403 -5.904 1.863 209 HB THR 682 HB THR 682 8.425 -5.936 4.115 210 HG1 THR 682 1HG THR 682 9.365 -6.718 2.364 211 1HG2 THR 682 1HG2 THR 682 5.966 -7.595 3.696 212 2HG2 THR 682 2HG2 THR 682 6.667 -6.997 5.200 213 3HG2 THR 682 3HG2 THR 682 7.411 -8.358 4.360 214 H SER 683 H SER 683 4.329 -5.516 2.534 215 HA SER 683 HA SER 683 3.818 -3.565 4.689 216 1HB SER 683 2HB SER 683 2.556 -4.544 2.314 217 2HB SER 683 1HB SER 683 1.463 -4.832 3.665 218 HG SER 683 HG SER 683 2.724 -2.378 2.979 219 H LEU 684 H LEU 684 3.059 -4.126 6.728 220 HA LEU 684 HA LEU 684 2.226 -6.948 7.199 221 1HB LEU 684 2HB LEU 684 3.723 -6.834 9.291 222 2HB LEU 684 1HB LEU 684 4.535 -7.016 7.743 223 HG LEU 684 HG LEU 684 5.547 -5.306 9.336 224 1HD1 LEU 684 1HD1 LEU 684 4.935 -3.616 7.059 225 2HD1 LEU 684 2HD1 LEU 684 5.250 -5.276 6.550 226 3HD1 LEU 684 3HD1 LEU 684 6.454 -4.398 7.494 227 1HD2 LEU 684 1HD2 LEU 684 3.144 -3.659 8.498 228 2HD2 LEU 684 2HD2 LEU 684 4.467 -3.146 9.544 229 3HD2 LEU 684 3HD2 LEU 684 3.339 -4.386 10.092 230 H ALA 685 H ALA 685 1.902 -6.834 9.941 231 HA ALA 685 HA ALA 685 -0.570 -5.443 10.262 232 1HB ALA 685 1HB ALA 685 1.378 -6.299 12.422 233 2HB ALA 685 2HB ALA 685 0.372 -7.440 11.528 234 3HB ALA 685 3HB ALA 685 -0.379 -6.208 12.541 235 H GLY 686 H GLY 686 0.039 -3.233 9.510 236 1HA GLY 686 2HA GLY 686 0.205 -1.276 11.418 237 2HA GLY 686 1HA GLY 686 1.901 -1.679 11.153 238 H TRP 687 H TRP 687 1.632 -2.281 8.335 239 HA TRP 687 HA TRP 687 1.711 0.469 7.288 240 1HB TRP 687 2HB TRP 687 2.520 -2.277 6.531 241 2HB TRP 687 1HB TRP 687 2.104 -1.224 5.180 242 HD1 TRP 687 HD TRP 687 3.480 0.549 8.173 243 HE1 TRP 687 1HE TRP 687 5.896 1.316 7.703 244 HE3 TRP 687 3HE TRP 687 4.375 -1.978 3.828 245 HZ2 TRP 687 2HZ TRP 687 7.939 0.909 5.740 246 HZ3 TRP 687 3HZ TRP 687 6.561 -1.772 2.681 247 HH2 TRP 687 HH TRP 687 8.344 -0.333 3.629 248 H GLU 688 H GLU 688 -0.944 -0.833 8.102 249 HA GLU 688 HA GLU 688 -2.311 -1.145 5.498 250 1HB GLU 688 2HB GLU 688 -3.693 -1.151 8.165 251 2HB GLU 688 1HB GLU 688 -4.029 -2.115 6.734 252 1HG GLU 688 2HG GLU 688 -1.694 -3.166 7.137 253 2HG GLU 688 1HG GLU 688 -1.825 -2.480 8.758 254 HA PRO 689 HA PRO 689 -4.600 2.723 7.292 255 1HB PRO 689 2HB PRO 689 -2.785 4.064 9.070 256 2HB PRO 689 1HB PRO 689 -4.353 3.348 9.455 257 1HG PRO 689 2HG PRO 689 -1.798 2.404 10.260 258 2HG PRO 689 1HG PRO 689 -3.355 1.605 10.503 259 1HD PRO 689 2HD PRO 689 -1.217 0.916 8.630 260 2HD PRO 689 1HD PRO 689 -2.664 -0.020 9.061 261 H SER 690 H SER 690 -1.442 2.325 6.164 262 HA SER 690 HA SER 690 -0.182 3.579 4.606 263 1HB SER 690 2HB SER 690 -1.485 4.814 3.162 264 2HB SER 690 1HB SER 690 -2.786 4.018 4.040 265 HG SER 690 HG SER 690 -2.217 6.616 3.887 266 H ASN 691 H ASN 691 0.352 3.983 7.317 267 HA ASN 691 HA ASN 691 0.329 6.855 7.941 268 1HB ASN 691 2HB ASN 691 1.347 6.096 10.008 269 2HB ASN 691 1HB ASN 691 0.079 4.949 9.575 270 1HD2 ASN 691 1HD2 ASN 691 0.713 2.796 8.966 271 2HD2 ASN 691 2HD2 ASN 691 2.317 2.253 9.074 272 H VAL 692 H VAL 692 1.989 5.479 5.614 273 HA VAL 692 HA VAL 692 4.473 7.043 6.186 274 HB VAL 692 HB VAL 692 5.696 5.074 5.117 275 1HG1 VAL 692 1HG1 VAL 692 5.088 3.595 7.293 276 2HG1 VAL 692 2HG1 VAL 692 4.377 5.134 7.781 277 3HG1 VAL 692 3HG1 VAL 692 6.091 5.043 7.375 278 1HG2 VAL 692 1HG2 VAL 692 3.734 4.043 4.053 279 2HG2 VAL 692 2HG2 VAL 692 3.011 3.758 5.636 280 3HG2 VAL 692 3HG2 VAL 692 4.487 2.909 5.174 281 HA PRO 693 HA PRO 693 2.483 7.964 2.051 282 1HB PRO 693 2HB PRO 693 3.448 10.647 2.449 283 2HB PRO 693 1HB PRO 693 1.775 10.083 2.432 284 1HG PRO 693 2HG PRO 693 3.323 10.945 4.694 285 2HG PRO 693 1HG PRO 693 1.645 10.395 4.670 286 1HD PRO 693 2HD PRO 693 3.935 9.007 5.729 287 2HD PRO 693 1HD PRO 693 2.252 8.431 5.661 288 H ALA 694 H ALA 694 5.602 8.250 3.513 289 HA ALA 694 HA ALA 694 7.155 9.294 1.364 290 1HB ALA 694 1HB ALA 694 7.912 7.150 3.372 291 2HB ALA 694 2HB ALA 694 7.823 8.868 3.763 292 3HB ALA 694 3HB ALA 694 8.998 8.292 2.581 293 H LEU 695 H LEU 695 6.172 5.942 2.124 294 HA LEU 695 HA LEU 695 7.225 5.117 -0.551 295 1HB LEU 695 2HB LEU 695 7.986 3.262 0.516 296 2HB LEU 695 1HB LEU 695 7.676 4.149 1.999 297 HG LEU 695 HG LEU 695 6.666 1.978 2.218 298 1HD1 LEU 695 1HD1 LEU 695 4.785 2.782 3.149 299 2HD1 LEU 695 2HD1 LEU 695 4.130 3.265 1.586 300 3HD1 LEU 695 3HD1 LEU 695 5.221 4.344 2.456 301 1HD2 LEU 695 1HD2 LEU 695 5.801 0.829 0.485 302 2HD2 LEU 695 2HD2 LEU 695 6.324 2.156 -0.552 303 3HD2 LEU 695 3HD2 LEU 695 4.683 2.137 0.094 304 H TRP 696 H TRP 696 4.358 5.711 1.209 305 HA TRP 696 HA TRP 696 2.709 3.941 -0.530 306 1HB TRP 696 2HB TRP 696 2.528 5.231 2.120 307 2HB TRP 696 1HB TRP 696 1.026 5.263 1.200 308 HD1 TRP 696 HD TRP 696 2.030 3.353 3.808 309 HE1 TRP 696 1HE TRP 696 1.508 0.838 3.609 310 HE3 TRP 696 3HE TRP 696 1.275 3.000 -1.235 311 HZ2 TRP 696 2HZ TRP 696 0.854 -1.070 1.585 312 HZ3 TRP 696 3HZ TRP 696 0.705 0.822 -2.267 313 HH2 TRP 696 HH TRP 696 0.494 -1.212 -0.866 314 H GLN 697 H GLN 697 1.707 4.822 -2.297 315 HA GLN 697 HA GLN 697 1.528 7.807 -2.483 316 1HB GLN 697 2HB GLN 697 2.872 6.403 -4.141 317 2HB GLN 697 1HB GLN 697 1.334 5.730 -4.684 318 1HG GLN 697 2HG GLN 697 2.154 7.708 -6.036 319 2HG GLN 697 1HG GLN 697 0.535 7.898 -5.359 320 1HE2 GLN 697 1HE2 GLN 697 3.919 8.934 -5.009 321 2HE2 GLN 697 2HE2 GLN 697 3.587 10.258 -4.000 322 H LEU 698 H LEU 698 -0.479 7.402 -1.033 323 HA LEU 698 HA LEU 698 -2.778 6.008 -1.845 324 1HB LEU 698 2HB LEU 698 -2.628 6.975 0.333 325 2HB LEU 698 1HB LEU 698 -2.317 8.582 -0.325 326 HG LEU 698 HG LEU 698 -4.619 8.497 -1.371 327 1HD1 LEU 698 1HD1 LEU 698 -5.987 6.698 -1.105 328 2HD1 LEU 698 2HD1 LEU 698 -5.480 6.442 0.565 329 3HD1 LEU 698 3HD1 LEU 698 -4.491 5.828 -0.759 330 1HD2 LEU 698 1HD2 LEU 698 -4.721 8.155 1.632 331 2HD2 LEU 698 2HD2 LEU 698 -5.705 9.217 0.624 332 3HD2 LEU 698 3HD2 LEU 698 -3.997 9.578 0.881 333 H GLN 699 H GLN 699 -4.735 6.762 -2.907 334 HA GLN 699 HA GLN 699 -4.437 9.181 -4.637 335 1HB GLN 699 2HB GLN 699 -5.187 7.764 -6.566 336 2HB GLN 699 1HB GLN 699 -3.623 7.265 -5.920 337 1HG GLN 699 2HG GLN 699 -4.490 5.196 -5.694 338 2HG GLN 699 1HG GLN 699 -5.494 5.846 -4.397 339 1HE2 GLN 699 1HE2 GLN 699 -7.721 5.727 -4.736 340 2HE2 GLN 699 2HE2 GLN 699 -8.461 5.493 -6.246 Start of MODEL 15 1 HA ALA 655 HA ALA 655 -7.636 -4.988 -2.118 2 1HB ALA 655 1HB ALA 655 -8.767 -7.026 -3.068 3 2HB ALA 655 2HB ALA 655 -8.204 -7.248 -1.411 4 3HB ALA 655 3HB ALA 655 -7.289 -7.935 -2.752 5 H TRP 656 H TRP 656 -5.990 -4.290 -0.802 6 HA TRP 656 HA TRP 656 -3.267 -5.084 -0.947 7 1HB TRP 656 2HB TRP 656 -4.006 -3.033 0.115 8 2HB TRP 656 1HB TRP 656 -4.964 -3.935 1.289 9 HD1 TRP 656 HD TRP 656 -1.325 -3.204 0.328 10 HE1 TRP 656 1HE TRP 656 0.177 -3.691 2.365 11 HE3 TRP 656 3HE TRP 656 -4.777 -5.216 3.506 12 HZ2 TRP 656 2HZ TRP 656 -0.056 -4.789 4.997 13 HZ3 TRP 656 3HZ TRP 656 -4.111 -5.974 5.770 14 HH2 TRP 656 HH TRP 656 -1.757 -5.762 6.518 15 H GLN 657 H GLN 657 -2.048 -6.305 0.740 16 HA GLN 657 HA GLN 657 -3.632 -8.369 2.197 17 1HB GLN 657 2HB GLN 657 -1.614 -8.740 -0.009 18 2HB GLN 657 1HB GLN 657 -1.836 -10.000 1.206 19 1HG GLN 657 2HG GLN 657 -4.371 -9.749 0.681 20 2HG GLN 657 1HG GLN 657 -3.829 -8.941 -0.790 21 1HE2 GLN 657 1HE2 GLN 657 -4.034 -10.482 -2.434 22 2HE2 GLN 657 2HE2 GLN 657 -3.443 -12.071 -2.345 23 H VAL 658 H VAL 658 -2.728 -8.771 4.193 24 HA VAL 658 HA VAL 658 -0.396 -7.241 5.046 25 HB VAL 658 HB VAL 658 -2.278 -7.578 6.521 26 1HG1 VAL 658 1HG1 VAL 658 -3.472 -9.474 6.288 27 2HG1 VAL 658 2HG1 VAL 658 -2.202 -10.315 7.177 28 3HG1 VAL 658 3HG1 VAL 658 -2.154 -10.254 5.416 29 1HG2 VAL 658 1HG2 VAL 658 0.323 -8.060 7.246 30 2HG2 VAL 658 2HG2 VAL 658 -0.478 -9.518 7.831 31 3HG2 VAL 658 3HG2 VAL 658 -1.019 -7.934 8.386 32 H ASN 659 H ASN 659 1.628 -8.080 5.679 33 HA ASN 659 HA ASN 659 3.446 -9.594 5.713 34 1HB ASN 659 2HB ASN 659 1.257 -10.925 6.636 35 2HB ASN 659 1HB ASN 659 1.671 -11.922 5.240 36 1HD2 ASN 659 1HD2 ASN 659 2.029 -12.413 8.253 37 2HD2 ASN 659 2HD2 ASN 659 3.671 -12.815 8.414 38 H THR 660 H THR 660 3.023 -8.375 3.286 39 HA THR 660 HA THR 660 3.627 -10.581 1.357 40 HB THR 660 HB THR 660 1.702 -8.256 1.054 41 HG1 THR 660 1HG THR 660 0.324 -9.745 1.518 42 1HG2 THR 660 1HG2 THR 660 1.338 -9.293 -1.249 43 2HG2 THR 660 2HG2 THR 660 2.845 -10.171 -0.986 44 3HG2 THR 660 3HG2 THR 660 2.848 -8.408 -1.035 45 H ALA 661 H ALA 661 4.662 -9.607 -0.687 46 HA ALA 661 HA ALA 661 6.420 -7.307 0.103 47 1HB ALA 661 1HB ALA 661 7.797 -9.179 -0.136 48 2HB ALA 661 2HB ALA 661 7.860 -8.502 -1.762 49 3HB ALA 661 3HB ALA 661 6.802 -9.870 -1.416 50 H TYR 662 H TYR 662 5.873 -5.471 -1.005 51 HA TYR 662 HA TYR 662 4.702 -5.751 -3.748 52 1HB TYR 662 2HB TYR 662 4.563 -3.608 -1.606 53 2HB TYR 662 1HB TYR 662 3.889 -3.405 -3.222 54 HD1 TYR 662 1HD TYR 662 2.627 -3.693 -0.240 55 HD2 TYR 662 2HD TYR 662 2.892 -6.185 -3.730 56 HE1 TYR 662 1HE TYR 662 0.576 -4.896 0.462 57 HE2 TYR 662 2HE TYR 662 0.842 -7.387 -3.026 58 HH TYR 662 HH TYR 662 -1.113 -7.018 -1.622 59 H THR 663 H THR 663 5.473 -4.239 -5.386 60 HA THR 663 HA THR 663 8.309 -3.413 -4.942 61 HB THR 663 HB THR 663 7.944 -3.210 -7.589 62 HG1 THR 663 1HG THR 663 6.436 -5.224 -7.818 63 1HG2 THR 663 1HG2 THR 663 9.535 -4.734 -6.620 64 2HG2 THR 663 2HG2 THR 663 8.522 -5.667 -7.722 65 3HG2 THR 663 3HG2 THR 663 8.248 -5.757 -5.982 66 H ALA 664 H ALA 664 8.899 -1.340 -6.214 67 HA ALA 664 HA ALA 664 7.285 0.858 -5.276 68 1HB ALA 664 1HB ALA 664 9.347 1.730 -5.593 69 2HB ALA 664 2HB ALA 664 9.026 1.719 -7.326 70 3HB ALA 664 3HB ALA 664 9.825 0.341 -6.570 71 H GLY 665 H GLY 665 5.222 1.004 -6.177 72 1HA GLY 665 2HA GLY 665 4.148 2.187 -8.127 73 2HA GLY 665 1HA GLY 665 5.089 1.117 -9.165 74 H GLN 666 H GLN 666 3.630 -0.039 -6.199 75 HA GLN 666 HA GLN 666 2.036 -1.981 -7.757 76 1HB GLN 666 2HB GLN 666 3.426 -1.910 -5.315 77 2HB GLN 666 1HB GLN 666 1.724 -2.017 -4.866 78 1HG GLN 666 2HG GLN 666 2.794 -3.798 -7.037 79 2HG GLN 666 1HG GLN 666 3.071 -4.221 -5.346 80 1HE2 GLN 666 1HE2 GLN 666 0.972 -4.149 -3.938 81 2HE2 GLN 666 2HE2 GLN 666 -0.448 -4.726 -4.667 82 H LEU 667 H LEU 667 -0.286 -2.360 -6.916 83 HA LEU 667 HA LEU 667 -1.598 0.213 -6.126 84 1HB LEU 667 2HB LEU 667 -1.713 -1.292 -8.625 85 2HB LEU 667 1HB LEU 667 -3.316 -1.051 -7.927 86 HG LEU 667 HG LEU 667 -1.584 1.331 -7.820 87 1HD1 LEU 667 1HD1 LEU 667 -1.220 1.677 -10.044 88 2HD1 LEU 667 2HD1 LEU 667 -2.744 0.922 -10.509 89 3HD1 LEU 667 3HD1 LEU 667 -1.339 -0.080 -10.148 90 1HD2 LEU 667 1HD2 LEU 667 -4.008 1.779 -9.205 91 2HD2 LEU 667 2HD2 LEU 667 -3.667 2.140 -7.513 92 3HD2 LEU 667 3HD2 LEU 667 -4.376 0.587 -7.958 93 H VAL 668 H VAL 668 -2.005 -0.661 -4.012 94 HA VAL 668 HA VAL 668 -3.620 -3.164 -3.857 95 HB VAL 668 HB VAL 668 -2.874 -3.247 -1.607 96 1HG1 VAL 668 1HG1 VAL 668 -0.462 -2.877 -1.717 97 2HG1 VAL 668 2HG1 VAL 668 -0.665 -1.798 -3.097 98 3HG1 VAL 668 3HG1 VAL 668 -1.027 -3.517 -3.261 99 1HG2 VAL 668 1HG2 VAL 668 -1.718 -1.141 -0.618 100 2HG2 VAL 668 2HG2 VAL 668 -3.478 -1.134 -0.733 101 3HG2 VAL 668 3HG2 VAL 668 -2.513 -0.265 -1.926 102 H THR 669 H THR 669 -5.412 -3.015 -2.086 103 HA THR 669 HA THR 669 -6.704 -0.325 -2.032 104 HB THR 669 HB THR 669 -8.859 -1.801 -2.521 105 HG1 THR 669 1HG THR 669 -8.448 -3.661 -3.440 106 1HG2 THR 669 1HG2 THR 669 -6.991 -1.223 -4.817 107 2HG2 THR 669 2HG2 THR 669 -7.760 0.072 -3.898 108 3HG2 THR 669 3HG2 THR 669 -8.748 -1.094 -4.778 109 H TYR 670 H TYR 670 -6.993 0.059 0.136 110 HA TYR 670 HA TYR 670 -7.278 -2.198 2.024 111 1HB TYR 670 2HB TYR 670 -6.937 0.796 2.184 112 2HB TYR 670 1HB TYR 670 -7.352 -0.136 3.622 113 HD1 TYR 670 1HD TYR 670 -4.832 0.252 0.914 114 HD2 TYR 670 2HD TYR 670 -5.738 -1.498 4.731 115 HE1 TYR 670 1HE TYR 670 -2.458 -0.418 1.172 116 HE2 TYR 670 2HE TYR 670 -3.365 -2.166 4.989 117 HH TYR 670 HH TYR 670 -1.358 -2.205 4.057 118 H ASN 671 H ASN 671 -8.975 -1.015 3.930 119 HA ASN 671 HA ASN 671 -11.533 -1.853 3.296 120 1HB ASN 671 2HB ASN 671 -10.455 0.376 5.020 121 2HB ASN 671 1HB ASN 671 -12.184 0.029 4.975 122 1HD2 ASN 671 1HD2 ASN 671 -12.686 -1.216 6.783 123 2HD2 ASN 671 2HD2 ASN 671 -11.766 -2.527 7.347 124 H GLY 672 H GLY 672 -12.228 -1.328 1.165 125 1HA GLY 672 2HA GLY 672 -13.021 0.034 -0.586 126 2HA GLY 672 1HA GLY 672 -13.758 0.954 0.725 127 H LYS 673 H LYS 673 -10.282 0.600 0.444 128 HA LYS 673 HA LYS 673 -10.117 3.509 -0.280 129 1HB LYS 673 2HB LYS 673 -8.355 1.773 1.480 130 2HB LYS 673 1HB LYS 673 -8.070 3.478 1.133 131 1HG LYS 673 2HG LYS 673 -10.789 3.152 2.000 132 2HG LYS 673 1HG LYS 673 -9.719 2.377 3.169 133 1HD LYS 673 2HD LYS 673 -8.323 4.487 3.153 134 2HD LYS 673 1HD LYS 673 -9.594 5.241 2.188 135 1HE LYS 673 2HE LYS 673 -11.233 4.832 3.975 136 2HE LYS 673 1HE LYS 673 -9.989 4.017 4.944 137 1HZ LYS 673 1HZ LYS 673 -8.704 5.983 5.038 138 2HZ LYS 673 2HZ LYS 673 -10.290 6.450 5.430 139 3HZ LYS 673 3HZ LYS 673 -9.666 6.767 3.882 140 H THR 674 H THR 674 -8.361 4.104 -1.676 141 HA THR 674 HA THR 674 -7.255 1.823 -3.275 142 HB THR 674 HB THR 674 -7.150 4.632 -4.248 143 HG1 THR 674 1HG THR 674 -9.524 3.233 -3.661 144 1HG2 THR 674 1HG2 THR 674 -6.650 3.273 -6.003 145 2HG2 THR 674 2HG2 THR 674 -8.401 3.101 -6.134 146 3HG2 THR 674 3HG2 THR 674 -7.457 1.882 -5.278 147 H TYR 675 H TYR 675 -5.072 1.483 -3.066 148 HA TYR 675 HA TYR 675 -3.355 3.788 -2.223 149 1HB TYR 675 2HB TYR 675 -3.764 1.062 -1.059 150 2HB TYR 675 1HB TYR 675 -2.149 1.770 -0.967 151 HD1 TYR 675 1HD TYR 675 -1.712 3.753 0.351 152 HD2 TYR 675 2HD TYR 675 -5.678 2.141 0.048 153 HE1 TYR 675 1HE TYR 675 -2.444 5.206 2.219 154 HE2 TYR 675 2HE TYR 675 -6.409 3.592 1.920 155 HH TYR 675 HH TYR 675 -4.513 6.174 3.097 156 H LYS 676 H LYS 676 -1.102 3.560 -2.880 157 HA LYS 676 HA LYS 676 -0.559 1.454 -4.924 158 1HB LYS 676 2HB LYS 676 -1.253 3.205 -6.311 159 2HB LYS 676 1HB LYS 676 -0.649 4.446 -5.213 160 1HG LYS 676 2HG LYS 676 1.382 2.612 -6.374 161 2HG LYS 676 1HG LYS 676 0.637 3.761 -7.486 162 1HD LYS 676 2HD LYS 676 1.113 5.397 -5.379 163 2HD LYS 676 1HD LYS 676 2.447 4.258 -5.188 164 1HE LYS 676 2HE LYS 676 3.189 6.079 -6.640 165 2HE LYS 676 1HE LYS 676 2.994 4.625 -7.639 166 1HZ LYS 676 1HZ LYS 676 1.037 5.368 -8.524 167 2HZ LYS 676 2HZ LYS 676 1.835 6.854 -8.320 168 3HZ LYS 676 3HZ LYS 676 0.667 6.352 -7.194 169 H CYS 677 H CYS 677 1.342 0.500 -4.312 170 HA CYS 677 HA CYS 677 3.114 1.603 -2.327 171 1HB CYS 677 2HB CYS 677 2.602 -0.840 -3.422 172 2HB CYS 677 1HB CYS 677 4.117 -0.438 -4.233 173 HG CYS 677 HG CYS 677 4.925 -1.451 -2.038 174 H LEU 678 H LEU 678 5.087 2.693 -2.593 175 HA LEU 678 HA LEU 678 5.791 3.486 -5.403 176 1HB LEU 678 2HB LEU 678 4.786 5.173 -3.701 177 2HB LEU 678 1HB LEU 678 6.359 5.086 -2.905 178 HG LEU 678 HG LEU 678 6.573 5.425 -5.806 179 1HD1 LEU 678 1HD1 LEU 678 5.724 7.656 -5.965 180 2HD1 LEU 678 2HD1 LEU 678 5.443 7.744 -4.226 181 3HD1 LEU 678 3HD1 LEU 678 4.437 6.700 -5.229 182 1HD2 LEU 678 1HD2 LEU 678 7.891 6.190 -3.333 183 2HD2 LEU 678 2HD2 LEU 678 7.730 7.575 -4.412 184 3HD2 LEU 678 3HD2 LEU 678 8.552 6.118 -4.967 185 H GLN 679 H GLN 679 6.814 1.778 -2.677 186 HA GLN 679 HA GLN 679 9.636 1.844 -3.655 187 1HB GLN 679 2HB GLN 679 8.622 2.186 -0.816 188 2HB GLN 679 1HB GLN 679 10.319 1.939 -1.232 189 1HG GLN 679 2HG GLN 679 10.368 3.985 -2.523 190 2HG GLN 679 1HG GLN 679 8.626 4.196 -2.339 191 1HE2 GLN 679 1HE2 GLN 679 10.872 3.147 0.239 192 2HE2 GLN 679 2HE2 GLN 679 10.627 4.506 1.225 193 HA PRO 680 HA PRO 680 9.073 -2.557 -3.388 194 1HB PRO 680 2HB PRO 680 11.902 -2.951 -3.052 195 2HB PRO 680 1HB PRO 680 10.945 -3.152 -4.523 196 1HG PRO 680 2HG PRO 680 12.840 -1.088 -3.939 197 2HG PRO 680 1HG PRO 680 11.852 -1.270 -5.391 198 1HD PRO 680 2HD PRO 680 11.562 0.682 -3.273 199 2HD PRO 680 1HD PRO 680 10.595 0.523 -4.758 200 H HIS 681 H HIS 681 8.111 -2.714 -1.276 201 HA HIS 681 HA HIS 681 10.056 -3.332 0.911 202 1HB HIS 681 2HB HIS 681 7.631 -1.510 0.994 203 2HB HIS 681 1HB HIS 681 8.515 -2.032 2.427 204 HD1 HIS 681 1HD HIS 681 11.382 -1.856 1.022 205 HD2 HIS 681 2HD HIS 681 8.522 1.176 1.130 206 HE1 HIS 681 1HE HIS 681 12.632 0.321 0.681 207 H THR 682 H THR 682 8.199 -3.905 2.893 208 HA THR 682 HA THR 682 6.491 -6.056 1.679 209 HB THR 682 HB THR 682 8.389 -6.067 4.037 210 HG1 THR 682 1HG THR 682 9.515 -7.277 2.751 211 1HG2 THR 682 1HG2 THR 682 6.154 -7.090 4.620 212 2HG2 THR 682 2HG2 THR 682 7.516 -8.208 4.705 213 3HG2 THR 682 3HG2 THR 682 6.423 -8.252 3.321 214 H SER 683 H SER 683 4.370 -5.717 2.221 215 HA SER 683 HA SER 683 3.584 -3.765 4.231 216 1HB SER 683 2HB SER 683 2.438 -5.373 2.092 217 2HB SER 683 1HB SER 683 1.382 -5.346 3.502 218 HG SER 683 HG SER 683 2.591 -2.991 2.524 219 H LEU 684 H LEU 684 2.751 -4.172 6.300 220 HA LEU 684 HA LEU 684 2.425 -6.991 7.177 221 1HB LEU 684 2HB LEU 684 4.108 -6.849 8.814 222 2HB LEU 684 1HB LEU 684 4.825 -5.986 7.456 223 HG LEU 684 HG LEU 684 3.434 -4.755 9.853 224 1HD1 LEU 684 1HD1 LEU 684 6.038 -5.618 9.578 225 2HD1 LEU 684 2HD1 LEU 684 5.506 -4.354 10.688 226 3HD1 LEU 684 3HD1 LEU 684 6.156 -3.923 9.106 227 1HD2 LEU 684 1HD2 LEU 684 4.243 -2.596 8.734 228 2HD2 LEU 684 2HD2 LEU 684 2.861 -3.391 7.981 229 3HD2 LEU 684 3HD2 LEU 684 4.467 -3.558 7.273 230 H ALA 685 H ALA 685 1.735 -6.888 9.656 231 HA ALA 685 HA ALA 685 -0.735 -5.443 9.815 232 1HB ALA 685 1HB ALA 685 0.512 -6.239 12.351 233 2HB ALA 685 2HB ALA 685 0.568 -7.507 11.129 234 3HB ALA 685 3HB ALA 685 -0.981 -6.815 11.610 235 H GLY 686 H GLY 686 0.411 -3.267 9.212 236 1HA GLY 686 2HA GLY 686 0.382 -1.547 11.485 237 2HA GLY 686 1HA GLY 686 2.062 -1.886 11.068 238 H TRP 687 H TRP 687 1.512 -2.133 8.193 239 HA TRP 687 HA TRP 687 1.526 0.756 7.556 240 1HB TRP 687 2HB TRP 687 2.145 -1.837 6.143 241 2HB TRP 687 1HB TRP 687 2.022 -0.331 5.234 242 HD1 TRP 687 HD TRP 687 3.228 0.578 8.518 243 HE1 TRP 687 1HE TRP 687 5.790 0.853 8.560 244 HE3 TRP 687 3HE TRP 687 4.423 -1.660 4.086 245 HZ2 TRP 687 2HZ TRP 687 8.046 0.209 6.929 246 HZ3 TRP 687 3HZ TRP 687 6.787 -1.811 3.355 247 HH2 TRP 687 HH TRP 687 8.598 -0.880 4.769 248 H GLU 688 H GLU 688 -1.032 -0.330 8.410 249 HA GLU 688 HA GLU 688 -2.615 -0.666 5.935 250 1HB GLU 688 2HB GLU 688 -3.979 -0.385 8.555 251 2HB GLU 688 1HB GLU 688 -4.192 -1.599 7.302 252 1HG GLU 688 2HG GLU 688 -1.865 -2.479 8.029 253 2HG GLU 688 1HG GLU 688 -2.110 -1.514 9.484 254 HA PRO 689 HA PRO 689 -4.460 3.445 7.663 255 1HB PRO 689 2HB PRO 689 -2.510 4.631 9.415 256 2HB PRO 689 1HB PRO 689 -4.136 4.070 9.819 257 1HG PRO 689 2HG PRO 689 -1.687 2.902 10.635 258 2HG PRO 689 1HG PRO 689 -3.307 2.238 10.864 259 1HD PRO 689 2HD PRO 689 -1.219 1.389 8.987 260 2HD PRO 689 1HD PRO 689 -2.720 0.549 9.443 261 H SER 690 H SER 690 -1.338 2.723 6.593 262 HA SER 690 HA SER 690 0.075 3.787 5.037 263 1HB SER 690 2HB SER 690 -1.078 5.008 3.452 264 2HB SER 690 1HB SER 690 -2.448 4.285 4.290 265 HG SER 690 HG SER 690 -1.306 6.853 4.716 266 H ASN 691 H ASN 691 0.695 4.373 7.639 267 HA ASN 691 HA ASN 691 0.716 7.276 8.104 268 1HB ASN 691 2HB ASN 691 1.990 6.576 10.124 269 2HB ASN 691 1HB ASN 691 0.511 5.637 9.926 270 1HD2 ASN 691 1HD2 ASN 691 0.981 3.523 10.542 271 2HD2 ASN 691 2HD2 ASN 691 2.363 2.658 10.070 272 H VAL 692 H VAL 692 2.256 5.770 5.787 273 HA VAL 692 HA VAL 692 4.783 7.328 6.146 274 HB VAL 692 HB VAL 692 5.842 5.261 4.981 275 1HG1 VAL 692 1HG1 VAL 692 4.999 4.282 7.606 276 2HG1 VAL 692 2HG1 VAL 692 5.514 5.969 7.644 277 3HG1 VAL 692 3HG1 VAL 692 6.610 4.725 7.040 278 1HG2 VAL 692 1HG2 VAL 692 3.286 4.035 6.066 279 2HG2 VAL 692 2HG2 VAL 692 4.642 3.148 5.370 280 3HG2 VAL 692 3HG2 VAL 692 3.678 4.221 4.356 281 HA PRO 693 HA PRO 693 2.519 8.138 2.123 282 1HB PRO 693 2HB PRO 693 3.520 10.825 2.362 283 2HB PRO 693 1HB PRO 693 1.847 10.272 2.492 284 1HG PRO 693 2HG PRO 693 3.574 11.191 4.600 285 2HG PRO 693 1HG PRO 693 1.891 10.668 4.718 286 1HD PRO 693 2HD PRO 693 4.229 9.283 5.662 287 2HD PRO 693 1HD PRO 693 2.538 8.725 5.723 288 H ALA 694 H ALA 694 5.732 8.391 3.343 289 HA ALA 694 HA ALA 694 7.097 9.359 1.002 290 1HB ALA 694 1HB ALA 694 8.442 9.416 2.862 291 2HB ALA 694 2HB ALA 694 8.917 7.815 2.292 292 3HB ALA 694 3HB ALA 694 7.703 7.975 3.562 293 H LEU 695 H LEU 695 6.214 6.085 2.104 294 HA LEU 695 HA LEU 695 7.146 5.055 -0.548 295 1HB LEU 695 2HB LEU 695 8.125 3.343 0.582 296 2HB LEU 695 1HB LEU 695 7.950 4.377 1.991 297 HG LEU 695 HG LEU 695 7.110 2.208 2.577 298 1HD1 LEU 695 1HD1 LEU 695 4.439 3.264 2.136 299 2HD1 LEU 695 2HD1 LEU 695 5.544 4.506 2.718 300 3HD1 LEU 695 3HD1 LEU 695 5.315 3.028 3.645 301 1HD2 LEU 695 1HD2 LEU 695 6.362 2.090 -0.145 302 2HD2 LEU 695 2HD2 LEU 695 4.869 1.947 0.782 303 3HD2 LEU 695 3HD2 LEU 695 6.195 0.821 1.068 304 H TRP 696 H TRP 696 4.402 5.593 1.426 305 HA TRP 696 HA TRP 696 2.783 3.644 -0.176 306 1HB TRP 696 2HB TRP 696 2.830 4.601 2.610 307 2HB TRP 696 1HB TRP 696 1.214 4.549 1.905 308 HD1 TRP 696 HD TRP 696 3.137 2.469 3.947 309 HE1 TRP 696 1HE TRP 696 2.739 -0.043 3.540 310 HE3 TRP 696 3HE TRP 696 0.880 2.669 -0.630 311 HZ2 TRP 696 2HZ TRP 696 1.611 -1.745 1.532 312 HZ3 TRP 696 3HZ TRP 696 0.154 0.589 -1.764 313 HH2 TRP 696 HH TRP 696 0.517 -1.616 -0.690 314 H GLN 697 H GLN 697 2.411 5.026 -2.005 315 HA GLN 697 HA GLN 697 1.131 7.669 -1.481 316 1HB GLN 697 2HB GLN 697 2.943 7.713 -3.050 317 2HB GLN 697 1HB GLN 697 2.340 6.281 -3.886 318 1HG GLN 697 2HG GLN 697 0.607 7.453 -4.925 319 2HG GLN 697 1HG GLN 697 0.610 8.731 -3.710 320 1HE2 GLN 697 1HE2 GLN 697 0.978 8.846 -6.757 321 2HE2 GLN 697 2HE2 GLN 697 2.425 9.709 -6.968 322 H LEU 698 H LEU 698 -1.074 7.476 -1.228 323 HA LEU 698 HA LEU 698 -2.522 5.371 -2.757 324 1HB LEU 698 2HB LEU 698 -4.155 5.586 -1.055 325 2HB LEU 698 1HB LEU 698 -2.630 5.838 -0.209 326 HG LEU 698 HG LEU 698 -3.357 8.382 -1.143 327 1HD1 LEU 698 1HD1 LEU 698 -5.721 6.885 0.032 328 2HD1 LEU 698 2HD1 LEU 698 -5.631 7.599 -1.577 329 3HD1 LEU 698 3HD1 LEU 698 -5.638 8.636 -0.152 330 1HD2 LEU 698 1HD2 LEU 698 -2.952 6.943 1.366 331 2HD2 LEU 698 2HD2 LEU 698 -4.142 8.236 1.529 332 3HD2 LEU 698 3HD2 LEU 698 -2.517 8.600 0.946 333 H GLN 699 H GLN 699 -5.016 6.457 -2.969 334 HA GLN 699 HA GLN 699 -4.910 9.139 -4.173 335 1HB GLN 699 2HB GLN 699 -5.578 8.232 -6.426 336 2HB GLN 699 1HB GLN 699 -3.942 7.782 -5.944 337 1HG GLN 699 2HG GLN 699 -4.594 5.573 -5.382 338 2HG GLN 699 1HG GLN 699 -6.307 5.995 -5.374 339 1HE2 GLN 699 1HE2 GLN 699 -3.782 4.739 -7.327 340 2HE2 GLN 699 2HE2 GLN 699 -4.588 4.812 -8.820 Start of MODEL 16 1 HA ALA 655 HA ALA 655 -7.170 -5.152 -2.658 2 1HB ALA 655 1HB ALA 655 -7.528 -7.507 -2.502 3 2HB ALA 655 2HB ALA 655 -6.207 -7.854 -3.619 4 3HB ALA 655 3HB ALA 655 -7.700 -7.132 -4.217 5 H TRP 656 H TRP 656 -5.770 -4.390 -1.101 6 HA TRP 656 HA TRP 656 -2.944 -5.052 -1.031 7 1HB TRP 656 2HB TRP 656 -3.880 -2.922 -0.246 8 2HB TRP 656 1HB TRP 656 -4.832 -3.771 0.973 9 HD1 TRP 656 HD TRP 656 -1.216 -2.884 0.076 10 HE1 TRP 656 1HE TRP 656 0.239 -3.124 2.192 11 HE3 TRP 656 3HE TRP 656 -4.644 -4.898 3.283 12 HZ2 TRP 656 2HZ TRP 656 -0.019 -4.047 4.888 13 HZ3 TRP 656 3HZ TRP 656 -4.013 -5.448 5.615 14 HH2 TRP 656 HH TRP 656 -1.707 -5.025 6.421 15 H GLN 657 H GLN 657 -1.975 -5.973 1.057 16 HA GLN 657 HA GLN 657 -3.653 -7.903 2.532 17 1HB GLN 657 2HB GLN 657 -1.459 -8.672 0.581 18 2HB GLN 657 1HB GLN 657 -2.144 -9.788 1.763 19 1HG GLN 657 2HG GLN 657 -4.433 -9.179 0.768 20 2HG GLN 657 1HG GLN 657 -3.533 -8.455 -0.565 21 1HE2 GLN 657 1HE2 GLN 657 -1.777 -10.027 -1.531 22 2HE2 GLN 657 2HE2 GLN 657 -2.244 -11.650 -1.701 23 H VAL 658 H VAL 658 -2.634 -8.522 4.498 24 HA VAL 658 HA VAL 658 -0.323 -6.873 5.291 25 HB VAL 658 HB VAL 658 -2.239 -7.093 6.761 26 1HG1 VAL 658 1HG1 VAL 658 -2.060 -9.827 7.568 27 2HG1 VAL 658 2HG1 VAL 658 -2.188 -9.789 5.810 28 3HG1 VAL 658 3HG1 VAL 658 -3.420 -9.007 6.800 29 1HG2 VAL 658 1HG2 VAL 658 -0.624 -6.940 8.344 30 2HG2 VAL 658 2HG2 VAL 658 0.412 -8.099 7.513 31 3HG2 VAL 658 3HG2 VAL 658 -0.868 -8.671 8.581 32 H ASN 659 H ASN 659 1.678 -7.742 5.996 33 HA ASN 659 HA ASN 659 3.458 -9.299 6.088 34 1HB ASN 659 2HB ASN 659 1.537 -10.483 7.340 35 2HB ASN 659 1HB ASN 659 1.297 -11.399 5.853 36 1HD2 ASN 659 1HD2 ASN 659 2.429 -13.335 5.831 37 2HD2 ASN 659 2HD2 ASN 659 3.896 -13.621 6.632 38 H THR 660 H THR 660 3.000 -8.213 3.588 39 HA THR 660 HA THR 660 3.499 -10.552 1.784 40 HB THR 660 HB THR 660 1.932 -8.078 1.021 41 HG1 THR 660 1HG THR 660 0.962 -10.569 1.972 42 1HG2 THR 660 1HG2 THR 660 0.995 -9.905 -0.599 43 2HG2 THR 660 2HG2 THR 660 2.459 -10.787 -0.167 44 3HG2 THR 660 3HG2 THR 660 2.578 -9.200 -0.927 45 H ALA 661 H ALA 661 4.514 -9.696 -0.351 46 HA ALA 661 HA ALA 661 6.476 -7.531 0.328 47 1HB ALA 661 1HB ALA 661 6.712 -9.795 -1.677 48 2HB ALA 661 2HB ALA 661 7.257 -9.919 -0.004 49 3HB ALA 661 3HB ALA 661 8.010 -8.753 -1.092 50 H TYR 662 H TYR 662 5.747 -5.667 -0.662 51 HA TYR 662 HA TYR 662 4.505 -5.865 -3.369 52 1HB TYR 662 2HB TYR 662 4.563 -3.842 -1.131 53 2HB TYR 662 1HB TYR 662 3.998 -3.396 -2.742 54 HD1 TYR 662 1HD TYR 662 2.761 -4.189 0.304 55 HD2 TYR 662 2HD TYR 662 2.525 -5.613 -3.741 56 HE1 TYR 662 1HE TYR 662 0.554 -5.210 0.792 57 HE2 TYR 662 2HE TYR 662 0.320 -6.635 -3.253 58 HH TYR 662 HH TYR 662 -1.059 -7.290 -1.532 59 H THR 663 H THR 663 5.277 -4.437 -5.063 60 HA THR 663 HA THR 663 8.171 -3.758 -4.785 61 HB THR 663 HB THR 663 7.907 -3.671 -7.345 62 HG1 THR 663 1HG THR 663 5.935 -3.796 -8.003 63 1HG2 THR 663 1HG2 THR 663 7.295 -6.230 -5.843 64 2HG2 THR 663 2HG2 THR 663 8.899 -5.592 -6.210 65 3HG2 THR 663 3HG2 THR 663 7.852 -6.151 -7.515 66 H ALA 664 H ALA 664 8.426 -1.859 -6.764 67 HA ALA 664 HA ALA 664 7.183 0.497 -5.499 68 1HB ALA 664 1HB ALA 664 9.172 1.342 -6.145 69 2HB ALA 664 2HB ALA 664 8.727 1.096 -7.834 70 3HB ALA 664 3HB ALA 664 9.554 -0.183 -6.945 71 H GLY 665 H GLY 665 5.790 1.951 -6.617 72 1HA GLY 665 2HA GLY 665 4.147 2.587 -8.169 73 2HA GLY 665 1HA GLY 665 5.072 1.695 -9.378 74 H GLN 666 H GLN 666 3.872 0.153 -6.463 75 HA GLN 666 HA GLN 666 2.336 -1.750 -8.114 76 1HB GLN 666 2HB GLN 666 3.786 -1.760 -5.702 77 2HB GLN 666 1HB GLN 666 2.107 -2.021 -5.228 78 1HG GLN 666 2HG GLN 666 2.880 -3.555 -7.606 79 2HG GLN 666 1HG GLN 666 3.819 -3.979 -6.174 80 1HE2 GLN 666 1HE2 GLN 666 2.580 -6.093 -6.254 81 2HE2 GLN 666 2HE2 GLN 666 1.021 -6.149 -5.587 82 H LEU 667 H LEU 667 0.078 -2.357 -7.195 83 HA LEU 667 HA LEU 667 -1.388 0.120 -6.344 84 1HB LEU 667 2HB LEU 667 -1.448 -1.201 -8.812 85 2HB LEU 667 1HB LEU 667 -2.909 -1.749 -7.989 86 HG LEU 667 HG LEU 667 -2.119 1.167 -8.162 87 1HD1 LEU 667 1HD1 LEU 667 -4.335 0.063 -9.819 88 2HD1 LEU 667 2HD1 LEU 667 -2.692 -0.263 -10.367 89 3HD1 LEU 667 3HD1 LEU 667 -3.237 1.400 -10.158 90 1HD2 LEU 667 1HD2 LEU 667 -4.162 -0.343 -6.797 91 2HD2 LEU 667 2HD2 LEU 667 -4.915 0.735 -7.973 92 3HD2 LEU 667 3HD2 LEU 667 -3.846 1.391 -6.732 93 H VAL 668 H VAL 668 -2.526 -0.233 -4.478 94 HA VAL 668 HA VAL 668 -3.533 -2.999 -3.921 95 HB VAL 668 HB VAL 668 -2.630 -2.896 -1.711 96 1HG1 VAL 668 1HG1 VAL 668 -1.012 -2.908 -3.882 97 2HG1 VAL 668 2HG1 VAL 668 -0.409 -3.074 -2.233 98 3HG1 VAL 668 3HG1 VAL 668 -0.366 -1.503 -3.033 99 1HG2 VAL 668 1HG2 VAL 668 -1.369 -0.707 -1.058 100 2HG2 VAL 668 2HG2 VAL 668 -3.130 -0.722 -0.954 101 3HG2 VAL 668 3HG2 VAL 668 -2.335 0.041 -2.330 102 H THR 669 H THR 669 -5.349 -2.982 -2.346 103 HA THR 669 HA THR 669 -6.657 -0.318 -1.999 104 HB THR 669 HB THR 669 -8.783 -1.442 -2.791 105 HG1 THR 669 1HG THR 669 -8.364 -3.560 -2.648 106 1HG2 THR 669 1HG2 THR 669 -8.312 -1.074 -5.085 107 2HG2 THR 669 2HG2 THR 669 -6.626 -1.556 -4.897 108 3HG2 THR 669 3HG2 THR 669 -7.185 -0.026 -4.223 109 H TYR 670 H TYR 670 -7.187 -0.137 0.145 110 HA TYR 670 HA TYR 670 -7.329 -2.572 1.823 111 1HB TYR 670 2HB TYR 670 -7.388 0.414 2.342 112 2HB TYR 670 1HB TYR 670 -7.503 -0.789 3.626 113 HD1 TYR 670 1HD TYR 670 -5.345 0.432 0.849 114 HD2 TYR 670 2HD TYR 670 -5.574 -1.933 4.425 115 HE1 TYR 670 1HE TYR 670 -2.877 0.200 0.852 116 HE2 TYR 670 2HE TYR 670 -3.107 -2.170 4.426 117 HH TYR 670 HH TYR 670 -1.112 -0.575 3.347 118 H ASN 671 H ASN 671 -9.366 -3.456 1.069 119 HA ASN 671 HA ASN 671 -11.698 -3.780 1.278 120 1HB ASN 671 2HB ASN 671 -11.592 -1.389 3.129 121 2HB ASN 671 1HB ASN 671 -12.697 -2.760 3.194 122 1HD2 ASN 671 1HD2 ASN 671 -10.913 -4.926 2.933 123 2HD2 ASN 671 2HD2 ASN 671 -9.851 -4.946 4.257 124 H GLY 672 H GLY 672 -11.425 -0.228 1.676 125 1HA GLY 672 2HA GLY 672 -12.764 0.094 -0.967 126 2HA GLY 672 1HA GLY 672 -13.463 0.874 0.454 127 H LYS 673 H LYS 673 -10.006 0.604 0.279 128 HA LYS 673 HA LYS 673 -9.865 3.549 -0.290 129 1HB LYS 673 2HB LYS 673 -7.889 1.830 1.231 130 2HB LYS 673 1HB LYS 673 -8.022 3.589 1.243 131 1HG LYS 673 2HG LYS 673 -10.199 1.726 2.230 132 2HG LYS 673 1HG LYS 673 -9.007 2.493 3.280 133 1HD LYS 673 2HD LYS 673 -9.769 4.707 2.600 134 2HD LYS 673 1HD LYS 673 -10.891 3.995 1.440 135 1HE LYS 673 2HE LYS 673 -12.453 3.844 3.071 136 2HE LYS 673 1HE LYS 673 -11.371 2.785 3.998 137 1HZ LYS 673 1HZ LYS 673 -11.871 4.845 5.204 138 2HZ LYS 673 2HZ LYS 673 -11.212 5.753 3.928 139 3HZ LYS 673 3HZ LYS 673 -10.219 4.718 4.839 140 H THR 674 H THR 674 -8.272 4.254 -1.760 141 HA THR 674 HA THR 674 -7.075 2.113 -3.465 142 HB THR 674 HB THR 674 -7.183 5.061 -4.080 143 HG1 THR 674 1HG THR 674 -9.282 3.258 -3.817 144 1HG2 THR 674 1HG2 THR 674 -7.826 2.891 -6.019 145 2HG2 THR 674 2HG2 THR 674 -6.152 3.016 -5.475 146 3HG2 THR 674 3HG2 THR 674 -6.927 4.389 -6.264 147 H TYR 675 H TYR 675 -4.882 1.786 -3.327 148 HA TYR 675 HA TYR 675 -3.183 4.034 -2.311 149 1HB TYR 675 2HB TYR 675 -3.496 1.197 -1.392 150 2HB TYR 675 1HB TYR 675 -1.933 1.991 -1.198 151 HD1 TYR 675 1HD TYR 675 -5.468 1.972 -0.187 152 HD2 TYR 675 2HD TYR 675 -1.676 3.934 0.274 153 HE1 TYR 675 1HE TYR 675 -6.324 3.157 1.814 154 HE2 TYR 675 2HE TYR 675 -2.534 5.123 2.273 155 HH TYR 675 HH TYR 675 -4.209 5.164 3.807 156 H LYS 676 H LYS 676 -0.969 3.949 -3.059 157 HA LYS 676 HA LYS 676 -0.429 2.022 -5.284 158 1HB LYS 676 2HB LYS 676 -0.773 4.949 -5.302 159 2HB LYS 676 1HB LYS 676 0.690 4.397 -6.120 160 1HG LYS 676 2HG LYS 676 -0.610 3.929 -7.902 161 2HG LYS 676 1HG LYS 676 -1.284 2.604 -6.954 162 1HD LYS 676 2HD LYS 676 -3.250 3.714 -7.333 163 2HD LYS 676 1HD LYS 676 -2.721 4.664 -5.943 164 1HE LYS 676 2HE LYS 676 -2.823 6.486 -7.295 165 2HE LYS 676 1HE LYS 676 -1.416 5.825 -8.152 166 1HZ LYS 676 1HZ LYS 676 -3.021 5.934 -9.806 167 2HZ LYS 676 2HZ LYS 676 -4.283 5.476 -8.765 168 3HZ LYS 676 3HZ LYS 676 -3.145 4.325 -9.285 169 H CYS 677 H CYS 677 1.385 0.943 -4.587 170 HA CYS 677 HA CYS 677 3.245 1.994 -2.647 171 1HB CYS 677 2HB CYS 677 2.601 -0.435 -3.381 172 2HB CYS 677 1HB CYS 677 3.835 -0.206 -4.621 173 HG CYS 677 HG CYS 677 4.469 -0.951 -1.846 174 H LEU 678 H LEU 678 5.251 2.983 -2.979 175 HA LEU 678 HA LEU 678 5.895 3.742 -5.809 176 1HB LEU 678 2HB LEU 678 5.636 5.157 -3.284 177 2HB LEU 678 1HB LEU 678 7.227 5.428 -3.996 178 HG LEU 678 HG LEU 678 6.130 6.026 -6.149 179 1HD1 LEU 678 1HD1 LEU 678 3.991 5.388 -6.451 180 2HD1 LEU 678 2HD1 LEU 678 3.512 6.613 -5.276 181 3HD1 LEU 678 3HD1 LEU 678 3.836 4.962 -4.747 182 1HD2 LEU 678 1HD2 LEU 678 5.738 7.507 -3.598 183 2HD2 LEU 678 2HD2 LEU 678 4.823 8.090 -4.989 184 3HD2 LEU 678 3HD2 LEU 678 6.583 7.999 -5.065 185 H GLN 679 H GLN 679 7.047 2.156 -2.939 186 HA GLN 679 HA GLN 679 9.672 1.690 -4.299 187 1HB GLN 679 2HB GLN 679 9.078 2.546 -1.455 188 2HB GLN 679 1HB GLN 679 10.640 1.882 -1.937 189 1HG GLN 679 2HG GLN 679 9.310 4.378 -3.028 190 2HG GLN 679 1HG GLN 679 10.782 4.299 -2.058 191 1HE2 GLN 679 1HE2 GLN 679 9.946 4.910 -5.129 192 2HE2 GLN 679 2HE2 GLN 679 11.234 4.189 -5.966 193 HA PRO 680 HA PRO 680 8.790 -2.561 -3.453 194 1HB PRO 680 2HB PRO 680 11.574 -3.176 -3.079 195 2HB PRO 680 1HB PRO 680 10.584 -3.453 -4.514 196 1HG PRO 680 2HG PRO 680 12.666 -1.513 -4.166 197 2HG PRO 680 1HG PRO 680 11.661 -1.781 -5.593 198 1HD PRO 680 2HD PRO 680 11.557 0.436 -3.745 199 2HD PRO 680 1HD PRO 680 10.551 0.166 -5.189 200 H HIS 681 H HIS 681 7.881 -2.737 -1.385 201 HA HIS 681 HA HIS 681 9.794 -3.048 0.884 202 1HB HIS 681 2HB HIS 681 7.374 -1.233 0.706 203 2HB HIS 681 1HB HIS 681 8.158 -1.640 2.233 204 HD1 HIS 681 1HD HIS 681 11.113 -1.602 1.132 205 HD2 HIS 681 2HD HIS 681 8.303 1.419 0.535 206 HE1 HIS 681 1HE HIS 681 12.423 0.509 0.643 207 H THR 682 H THR 682 8.470 -3.925 2.862 208 HA THR 682 HA THR 682 6.561 -5.993 1.832 209 HB THR 682 HB THR 682 8.376 -5.918 4.265 210 HG1 THR 682 1HG THR 682 9.264 -7.741 2.890 211 1HG2 THR 682 1HG2 THR 682 7.058 -8.385 3.191 212 2HG2 THR 682 2HG2 THR 682 6.129 -7.301 4.228 213 3HG2 THR 682 3HG2 THR 682 7.615 -8.039 4.829 214 H SER 683 H SER 683 4.456 -5.645 2.430 215 HA SER 683 HA SER 683 3.740 -3.666 4.452 216 1HB SER 683 2HB SER 683 1.866 -3.741 3.190 217 2HB SER 683 1HB SER 683 2.579 -5.053 2.256 218 HG SER 683 HG SER 683 1.747 -6.497 3.828 219 H LEU 684 H LEU 684 2.783 -4.112 6.505 220 HA LEU 684 HA LEU 684 2.602 -6.939 7.394 221 1HB LEU 684 2HB LEU 684 4.279 -6.726 9.033 222 2HB LEU 684 1HB LEU 684 4.966 -5.873 7.652 223 HG LEU 684 HG LEU 684 3.548 -4.615 10.019 224 1HD1 LEU 684 1HD1 LEU 684 5.611 -4.527 10.912 225 2HD1 LEU 684 2HD1 LEU 684 6.141 -3.559 9.536 226 3HD1 LEU 684 3HD1 LEU 684 6.284 -5.316 9.486 227 1HD2 LEU 684 1HD2 LEU 684 2.973 -3.275 8.150 228 2HD2 LEU 684 2HD2 LEU 684 4.552 -3.496 7.399 229 3HD2 LEU 684 3HD2 LEU 684 4.390 -2.481 8.832 230 H ALA 685 H ALA 685 1.974 -6.815 9.915 231 HA ALA 685 HA ALA 685 -0.566 -5.505 10.092 232 1HB ALA 685 1HB ALA 685 1.293 -7.064 11.802 233 2HB ALA 685 2HB ALA 685 -0.434 -7.294 11.522 234 3HB ALA 685 3HB ALA 685 0.120 -6.069 12.665 235 H GLY 686 H GLY 686 0.196 -3.264 9.462 236 1HA GLY 686 2HA GLY 686 0.170 -1.452 11.589 237 2HA GLY 686 1HA GLY 686 1.879 -1.745 11.255 238 H TRP 687 H TRP 687 1.524 -2.155 8.400 239 HA TRP 687 HA TRP 687 1.406 0.678 7.583 240 1HB TRP 687 2HB TRP 687 2.224 -1.958 6.369 241 2HB TRP 687 1HB TRP 687 2.060 -0.524 5.356 242 HD1 TRP 687 HD TRP 687 3.067 0.663 8.619 243 HE1 TRP 687 1HE TRP 687 5.606 1.089 8.743 244 HE3 TRP 687 3HE TRP 687 4.575 -1.783 4.400 245 HZ2 TRP 687 2HZ TRP 687 7.965 0.476 7.248 246 HZ3 TRP 687 3HZ TRP 687 6.972 -1.846 3.774 247 HH2 TRP 687 HH TRP 687 8.666 -0.719 5.191 248 H GLU 688 H GLU 688 -1.114 -0.666 8.385 249 HA GLU 688 HA GLU 688 -2.560 -1.107 5.852 250 1HB GLU 688 2HB GLU 688 -4.063 -0.893 8.404 251 2HB GLU 688 1HB GLU 688 -4.129 -2.135 7.164 252 1HG GLU 688 2HG GLU 688 -1.837 -2.908 8.000 253 2HG GLU 688 1HG GLU 688 -2.106 -1.860 9.393 254 HA PRO 689 HA PRO 689 -4.685 2.924 7.424 255 1HB PRO 689 2HB PRO 689 -2.930 4.193 9.317 256 2HB PRO 689 1HB PRO 689 -4.551 3.551 9.604 257 1HG PRO 689 2HG PRO 689 -2.118 2.503 10.599 258 2HG PRO 689 1HG PRO 689 -3.712 1.753 10.699 259 1HD PRO 689 2HD PRO 689 -1.441 1.040 8.977 260 2HD PRO 689 1HD PRO 689 -2.913 0.107 9.333 261 H SER 690 H SER 690 -1.480 2.327 6.566 262 HA SER 690 HA SER 690 -0.028 3.435 5.077 263 1HB SER 690 2HB SER 690 -1.108 4.754 3.511 264 2HB SER 690 1HB SER 690 -2.514 4.006 4.258 265 HG SER 690 HG SER 690 -1.456 6.593 4.578 266 H ASN 691 H ASN 691 0.922 3.825 7.404 267 HA ASN 691 HA ASN 691 0.779 6.637 8.310 268 1HB ASN 691 2HB ASN 691 2.223 4.146 9.260 269 2HB ASN 691 1HB ASN 691 2.296 5.698 10.096 270 1HD2 ASN 691 1HD2 ASN 691 0.959 2.969 10.783 271 2HD2 ASN 691 2HD2 ASN 691 -0.620 3.409 11.225 272 H VAL 692 H VAL 692 2.525 5.035 5.946 273 HA VAL 692 HA VAL 692 4.848 6.905 6.295 274 HB VAL 692 HB VAL 692 6.164 5.048 5.204 275 1HG1 VAL 692 1HG1 VAL 692 4.864 3.827 7.593 276 2HG1 VAL 692 2HG1 VAL 692 5.594 5.419 7.800 277 3HG1 VAL 692 3HG1 VAL 692 6.576 4.065 7.244 278 1HG2 VAL 692 1HG2 VAL 692 3.925 3.183 5.885 279 2HG2 VAL 692 2HG2 VAL 692 5.202 3.007 4.683 280 3HG2 VAL 692 3HG2 VAL 692 3.830 4.066 4.363 281 HA PRO 693 HA PRO 693 2.673 7.867 2.311 282 1HB PRO 693 2HB PRO 693 3.779 10.507 2.612 283 2HB PRO 693 1HB PRO 693 2.088 10.014 2.749 284 1HG PRO 693 2HG PRO 693 3.865 10.817 4.857 285 2HG PRO 693 1HG PRO 693 2.172 10.331 4.988 286 1HD PRO 693 2HD PRO 693 4.499 8.857 5.835 287 2HD PRO 693 1HD PRO 693 2.793 8.357 5.942 288 H ALA 694 H ALA 694 5.894 7.903 3.499 289 HA ALA 694 HA ALA 694 7.381 8.960 1.327 290 1HB ALA 694 1HB ALA 694 9.199 7.718 2.323 291 2HB ALA 694 2HB ALA 694 8.079 6.573 3.062 292 3HB ALA 694 3HB ALA 694 8.144 8.239 3.637 293 H LEU 695 H LEU 695 6.001 5.713 1.810 294 HA LEU 695 HA LEU 695 6.727 5.107 -1.031 295 1HB LEU 695 2HB LEU 695 7.669 3.158 -0.334 296 2HB LEU 695 1HB LEU 695 7.714 3.934 1.241 297 HG LEU 695 HG LEU 695 6.768 1.754 1.546 298 1HD1 LEU 695 1HD1 LEU 695 5.127 2.458 2.903 299 2HD1 LEU 695 2HD1 LEU 695 4.152 3.028 1.552 300 3HD1 LEU 695 3HD1 LEU 695 5.397 4.067 2.240 301 1HD2 LEU 695 1HD2 LEU 695 5.514 0.689 0.004 302 2HD2 LEU 695 2HD2 LEU 695 5.870 2.046 -1.065 303 3HD2 LEU 695 3HD2 LEU 695 4.383 2.038 -0.116 304 H TRP 696 H TRP 696 4.208 5.450 1.251 305 HA TRP 696 HA TRP 696 2.336 3.760 -0.338 306 1HB TRP 696 2HB TRP 696 2.535 4.840 2.416 307 2HB TRP 696 1HB TRP 696 0.905 4.774 1.749 308 HD1 TRP 696 HD TRP 696 2.539 2.811 3.990 309 HE1 TRP 696 1HE TRP 696 2.215 0.276 3.680 310 HE3 TRP 696 3HE TRP 696 0.899 2.716 -0.851 311 HZ2 TRP 696 2HZ TRP 696 1.372 -1.554 1.649 312 HZ3 TRP 696 3HZ TRP 696 0.344 0.564 -1.944 313 HH2 TRP 696 HH TRP 696 0.577 -1.569 -0.701 314 H GLN 697 H GLN 697 1.713 4.978 -2.132 315 HA GLN 697 HA GLN 697 0.963 7.837 -1.733 316 1HB GLN 697 2HB GLN 697 2.541 7.025 -3.545 317 2HB GLN 697 1HB GLN 697 1.168 6.187 -4.270 318 1HG GLN 697 2HG GLN 697 1.237 8.263 -5.402 319 2HG GLN 697 1HG GLN 697 -0.027 8.477 -4.190 320 1HE2 GLN 697 1HE2 GLN 697 0.488 9.800 -2.283 321 2HE2 GLN 697 2HE2 GLN 697 1.817 10.855 -2.289 322 H LEU 698 H LEU 698 -1.115 7.518 -0.704 323 HA LEU 698 HA LEU 698 -3.125 5.867 -2.109 324 1HB LEU 698 2HB LEU 698 -4.106 5.790 -0.048 325 2HB LEU 698 1HB LEU 698 -2.557 6.408 0.516 326 HG LEU 698 HG LEU 698 -3.638 8.755 -0.044 327 1HD1 LEU 698 1HD1 LEU 698 -5.743 7.084 -0.733 328 2HD1 LEU 698 2HD1 LEU 698 -5.872 8.812 -0.402 329 3HD1 LEU 698 3HD1 LEU 698 -6.184 7.642 0.880 330 1HD2 LEU 698 1HD2 LEU 698 -3.058 8.443 2.187 331 2HD2 LEU 698 2HD2 LEU 698 -4.004 6.963 2.333 332 3HD2 LEU 698 3HD2 LEU 698 -4.814 8.530 2.321 333 H GLN 699 H GLN 699 -5.309 6.874 -2.534 334 HA GLN 699 HA GLN 699 -5.259 9.799 -3.066 335 1HB GLN 699 2HB GLN 699 -5.671 9.485 -5.415 336 2HB GLN 699 1HB GLN 699 -4.300 8.452 -5.010 337 1HG GLN 699 2HG GLN 699 -5.488 6.780 -5.966 338 2HG GLN 699 1HG GLN 699 -6.462 6.812 -4.496 339 1HE2 GLN 699 1HE2 GLN 699 -7.525 6.116 -7.123 340 2HE2 GLN 699 2HE2 GLN 699 -8.671 7.299 -7.532 Start of MODEL 17 1 HA ALA 655 HA ALA 655 -6.605 -5.188 -3.199 2 1HB ALA 655 1HB ALA 655 -8.680 -5.339 -2.149 3 2HB ALA 655 2HB ALA 655 -7.623 -5.164 -0.749 4 3HB ALA 655 3HB ALA 655 -8.215 -6.759 -1.214 5 H TRP 656 H TRP 656 -5.716 -4.255 -0.866 6 HA TRP 656 HA TRP 656 -3.009 -5.223 -0.653 7 1HB TRP 656 2HB TRP 656 -3.629 -2.905 -0.263 8 2HB TRP 656 1HB TRP 656 -4.722 -3.377 1.038 9 HD1 TRP 656 HD TRP 656 -1.068 -2.804 0.247 10 HE1 TRP 656 1HE TRP 656 0.307 -2.944 2.424 11 HE3 TRP 656 3HE TRP 656 -4.652 -4.544 3.446 12 HZ2 TRP 656 2HZ TRP 656 -0.064 -3.695 5.157 13 HZ3 TRP 656 3HZ TRP 656 -4.113 -4.963 5.827 14 HH2 TRP 656 HH TRP 656 -1.826 -4.541 6.687 15 H GLN 657 H GLN 657 -2.190 -6.787 0.695 16 HA GLN 657 HA GLN 657 -3.965 -7.822 2.884 17 1HB GLN 657 2HB GLN 657 -2.294 -9.142 0.761 18 2HB GLN 657 1HB GLN 657 -2.583 -9.988 2.281 19 1HG GLN 657 2HG GLN 657 -4.873 -8.758 0.763 20 2HG GLN 657 1HG GLN 657 -4.262 -10.354 0.324 21 1HE2 GLN 657 1HE2 GLN 657 -3.653 -11.455 2.828 22 2HE2 GLN 657 2HE2 GLN 657 -5.066 -11.577 3.760 23 H VAL 658 H VAL 658 -2.684 -8.871 4.670 24 HA VAL 658 HA VAL 658 -0.313 -7.232 5.323 25 HB VAL 658 HB VAL 658 -0.663 -8.192 7.544 26 1HG1 VAL 658 1HG1 VAL 658 -2.151 -6.385 7.084 27 2HG1 VAL 658 2HG1 VAL 658 -3.153 -7.650 7.794 28 3HG1 VAL 658 3HG1 VAL 658 -3.167 -7.390 6.049 29 1HG2 VAL 658 1HG2 VAL 658 -1.297 -10.368 7.570 30 2HG2 VAL 658 2HG2 VAL 658 -1.981 -10.269 5.948 31 3HG2 VAL 658 3HG2 VAL 658 -2.939 -9.767 7.342 32 H ASN 659 H ASN 659 1.726 -8.220 5.940 33 HA ASN 659 HA ASN 659 3.476 -9.802 5.749 34 1HB ASN 659 2HB ASN 659 1.384 -11.076 6.821 35 2HB ASN 659 1HB ASN 659 1.440 -11.945 5.286 36 1HD2 ASN 659 1HD2 ASN 659 4.487 -11.414 5.223 37 2HD2 ASN 659 2HD2 ASN 659 5.121 -12.585 6.274 38 H THR 660 H THR 660 2.898 -8.414 3.421 39 HA THR 660 HA THR 660 3.273 -10.530 1.334 40 HB THR 660 HB THR 660 1.555 -8.032 1.164 41 HG1 THR 660 1HG THR 660 -0.017 -9.907 0.858 42 1HG2 THR 660 1HG2 THR 660 2.693 -8.846 -0.959 43 2HG2 THR 660 2HG2 THR 660 0.932 -8.791 -1.020 44 3HG2 THR 660 3HG2 THR 660 1.758 -10.332 -0.790 45 H ALA 661 H ALA 661 4.400 -9.675 -0.608 46 HA ALA 661 HA ALA 661 6.229 -7.412 0.101 47 1HB ALA 661 1HB ALA 661 7.381 -8.733 -1.994 48 2HB ALA 661 2HB ALA 661 6.457 -10.039 -1.253 49 3HB ALA 661 3HB ALA 661 7.655 -9.157 -0.305 50 H TYR 662 H TYR 662 6.014 -5.563 -1.104 51 HA TYR 662 HA TYR 662 4.540 -5.749 -3.713 52 1HB TYR 662 2HB TYR 662 4.622 -3.701 -1.491 53 2HB TYR 662 1HB TYR 662 3.995 -3.303 -3.091 54 HD1 TYR 662 1HD TYR 662 2.621 -5.733 -3.923 55 HD2 TYR 662 2HD TYR 662 2.783 -3.882 -0.050 56 HE1 TYR 662 1HE TYR 662 0.453 -6.782 -3.331 57 HE2 TYR 662 2HE TYR 662 0.613 -4.929 0.541 58 HH TYR 662 HH TYR 662 -1.085 -7.062 -1.760 59 H THR 663 H THR 663 5.280 -4.252 -5.387 60 HA THR 663 HA THR 663 8.186 -3.599 -5.135 61 HB THR 663 HB THR 663 7.511 -3.326 -7.774 62 HG1 THR 663 1HG THR 663 5.877 -4.619 -8.259 63 1HG2 THR 663 1HG2 THR 663 7.999 -6.007 -7.635 64 2HG2 THR 663 2HG2 THR 663 8.585 -5.479 -6.058 65 3HG2 THR 663 3HG2 THR 663 9.253 -4.772 -7.528 66 H ALA 664 H ALA 664 8.835 -1.544 -6.347 67 HA ALA 664 HA ALA 664 7.377 0.727 -5.348 68 1HB ALA 664 1HB ALA 664 9.130 1.310 -7.580 69 2HB ALA 664 2HB ALA 664 9.868 0.106 -6.523 70 3HB ALA 664 3HB ALA 664 9.366 1.666 -5.869 71 H GLY 665 H GLY 665 5.518 1.564 -6.209 72 1HA GLY 665 2HA GLY 665 4.272 2.567 -8.021 73 2HA GLY 665 1HA GLY 665 5.196 1.587 -9.161 74 H GLN 666 H GLN 666 3.882 0.119 -6.286 75 HA GLN 666 HA GLN 666 2.275 -1.711 -7.930 76 1HB GLN 666 2HB GLN 666 3.497 -1.573 -5.310 77 2HB GLN 666 1HB GLN 666 1.819 -2.097 -5.167 78 1HG GLN 666 2HG GLN 666 3.839 -3.314 -7.073 79 2HG GLN 666 1HG GLN 666 3.396 -4.003 -5.511 80 1HE2 GLN 666 1HE2 GLN 666 1.738 -5.519 -5.619 81 2HE2 GLN 666 2HE2 GLN 666 0.552 -5.583 -6.831 82 H LEU 667 H LEU 667 -0.036 -2.188 -7.065 83 HA LEU 667 HA LEU 667 -1.414 0.318 -6.188 84 1HB LEU 667 2HB LEU 667 -1.863 -1.402 -8.626 85 2HB LEU 667 1HB LEU 667 -3.166 -0.411 -7.969 86 HG LEU 667 HG LEU 667 -0.450 0.767 -8.537 87 1HD1 LEU 667 1HD1 LEU 667 -1.237 1.429 -10.743 88 2HD1 LEU 667 2HD1 LEU 667 -2.794 0.651 -10.458 89 3HD1 LEU 667 3HD1 LEU 667 -1.333 -0.327 -10.608 90 1HD2 LEU 667 1HD2 LEU 667 -2.360 1.869 -7.142 91 2HD2 LEU 667 2HD2 LEU 667 -3.148 2.100 -8.702 92 3HD2 LEU 667 3HD2 LEU 667 -1.573 2.831 -8.393 93 H VAL 668 H VAL 668 -1.882 -0.592 -4.134 94 HA VAL 668 HA VAL 668 -3.418 -3.158 -4.095 95 HB VAL 668 HB VAL 668 -2.650 -3.336 -1.841 96 1HG1 VAL 668 1HG1 VAL 668 -0.295 -3.251 -2.071 97 2HG1 VAL 668 2HG1 VAL 668 -0.366 -1.851 -3.141 98 3HG1 VAL 668 3HG1 VAL 668 -0.880 -3.433 -3.725 99 1HG2 VAL 668 1HG2 VAL 668 -3.181 -1.211 -0.922 100 2HG2 VAL 668 2HG2 VAL 668 -2.173 -0.362 -2.094 101 3HG2 VAL 668 3HG2 VAL 668 -1.424 -1.310 -0.810 102 H THR 669 H THR 669 -5.116 -3.089 -2.176 103 HA THR 669 HA THR 669 -6.482 -0.433 -2.061 104 HB THR 669 HB THR 669 -8.605 -1.597 -2.641 105 HG1 THR 669 1HG THR 669 -8.623 -3.699 -3.031 106 1HG2 THR 669 1HG2 THR 669 -6.689 -0.724 -4.342 107 2HG2 THR 669 2HG2 THR 669 -8.242 -1.362 -4.884 108 3HG2 THR 669 3HG2 THR 669 -6.818 -2.403 -4.866 109 H TYR 670 H TYR 670 -6.586 -0.058 0.131 110 HA TYR 670 HA TYR 670 -6.656 -2.251 2.072 111 1HB TYR 670 2HB TYR 670 -6.777 0.772 2.162 112 2HB TYR 670 1HB TYR 670 -6.882 -0.209 3.624 113 HD1 TYR 670 1HD TYR 670 -4.718 0.838 0.830 114 HD2 TYR 670 2HD TYR 670 -4.975 -1.498 4.424 115 HE1 TYR 670 1HE TYR 670 -2.249 0.605 0.855 116 HE2 TYR 670 2HE TYR 670 -2.506 -1.734 4.451 117 HH TYR 670 HH TYR 670 -0.473 0.010 2.152 118 H ASN 671 H ASN 671 -8.444 -1.328 3.991 119 HA ASN 671 HA ASN 671 -10.916 -2.432 3.328 120 1HB ASN 671 2HB ASN 671 -9.984 -0.295 5.230 121 2HB ASN 671 1HB ASN 671 -11.702 -0.686 5.141 122 1HD2 ASN 671 1HD2 ASN 671 -11.656 -3.460 4.756 123 2HD2 ASN 671 2HD2 ASN 671 -10.923 -4.213 6.089 124 H GLY 672 H GLY 672 -11.660 -1.809 1.230 125 1HA GLY 672 2HA GLY 672 -12.680 -0.425 -0.375 126 2HA GLY 672 1HA GLY 672 -13.391 0.398 1.017 127 H LYS 673 H LYS 673 -9.932 0.179 0.407 128 HA LYS 673 HA LYS 673 -9.898 3.133 -0.109 129 1HB LYS 673 2HB LYS 673 -8.538 1.347 1.822 130 2HB LYS 673 1HB LYS 673 -7.497 2.547 1.059 131 1HG LYS 673 2HG LYS 673 -10.144 3.213 2.372 132 2HG LYS 673 1HG LYS 673 -8.583 3.349 3.184 133 1HD LYS 673 2HD LYS 673 -7.925 5.157 1.922 134 2HD LYS 673 1HD LYS 673 -8.858 4.650 0.515 135 1HE LYS 673 2HE LYS 673 -10.875 5.520 1.379 136 2HE LYS 673 1HE LYS 673 -10.250 5.556 3.039 137 1HZ LYS 673 1HZ LYS 673 -9.474 7.591 2.677 138 2HZ LYS 673 2HZ LYS 673 -10.081 7.568 1.090 139 3HZ LYS 673 3HZ LYS 673 -8.505 7.020 1.406 140 H THR 674 H THR 674 -8.419 3.836 -1.698 141 HA THR 674 HA THR 674 -7.212 1.680 -3.381 142 HB THR 674 HB THR 674 -7.229 4.420 -4.412 143 HG1 THR 674 1HG THR 674 -9.045 4.756 -3.257 144 1HG2 THR 674 1HG2 THR 674 -7.669 3.316 -6.342 145 2HG2 THR 674 2HG2 THR 674 -8.971 2.376 -5.613 146 3HG2 THR 674 3HG2 THR 674 -7.295 1.866 -5.413 147 H TYR 675 H TYR 675 -5.024 1.419 -3.103 148 HA TYR 675 HA TYR 675 -3.406 3.845 -2.422 149 1HB TYR 675 2HB TYR 675 -3.663 1.164 -1.132 150 2HB TYR 675 1HB TYR 675 -2.079 1.944 -1.106 151 HD1 TYR 675 1HD TYR 675 -1.622 3.714 0.382 152 HD2 TYR 675 2HD TYR 675 -5.682 2.507 -0.311 153 HE1 TYR 675 1HE TYR 675 -2.381 5.220 2.196 154 HE2 TYR 675 2HE TYR 675 -6.441 4.010 1.508 155 HH TYR 675 HH TYR 675 -4.642 6.448 2.744 156 H LYS 676 H LYS 676 -1.133 3.674 -3.063 157 HA LYS 676 HA LYS 676 -0.520 1.556 -5.076 158 1HB LYS 676 2HB LYS 676 -1.304 3.285 -6.459 159 2HB LYS 676 1HB LYS 676 -0.683 4.545 -5.395 160 1HG LYS 676 2HG LYS 676 1.496 2.898 -6.344 161 2HG LYS 676 1HG LYS 676 0.555 3.504 -7.706 162 1HD LYS 676 2HD LYS 676 0.656 5.762 -6.275 163 2HD LYS 676 1HD LYS 676 2.138 5.014 -5.678 164 1HE LYS 676 2HE LYS 676 1.887 4.760 -8.584 165 2HE LYS 676 1HE LYS 676 1.911 6.454 -8.051 166 1HZ LYS 676 1HZ LYS 676 4.108 4.925 -8.283 167 2HZ LYS 676 2HZ LYS 676 3.734 4.702 -6.641 168 3HZ LYS 676 3HZ LYS 676 3.987 6.267 -7.253 169 H CYS 677 H CYS 677 1.396 0.672 -4.396 170 HA CYS 677 HA CYS 677 3.135 1.914 -2.459 171 1HB CYS 677 2HB CYS 677 2.679 -0.592 -3.614 172 2HB CYS 677 1HB CYS 677 4.323 -0.182 -4.103 173 HG CYS 677 HG CYS 677 5.074 -0.558 -1.776 174 H LEU 678 H LEU 678 5.218 2.846 -2.787 175 HA LEU 678 HA LEU 678 5.830 3.620 -5.624 176 1HB LEU 678 2HB LEU 678 5.030 5.500 -4.326 177 2HB LEU 678 1HB LEU 678 6.118 5.103 -2.995 178 HG LEU 678 HG LEU 678 7.577 5.372 -5.492 179 1HD1 LEU 678 1HD1 LEU 678 5.741 7.602 -4.626 180 2HD1 LEU 678 2HD1 LEU 678 6.016 6.971 -6.250 181 3HD1 LEU 678 3HD1 LEU 678 7.257 7.944 -5.461 182 1HD2 LEU 678 1HD2 LEU 678 8.774 5.481 -3.451 183 2HD2 LEU 678 2HD2 LEU 678 7.618 6.605 -2.736 184 3HD2 LEU 678 3HD2 LEU 678 8.718 7.155 -4.001 185 H GLN 679 H GLN 679 6.965 2.044 -2.793 186 HA GLN 679 HA GLN 679 9.703 1.903 -3.988 187 1HB GLN 679 2HB GLN 679 8.842 3.189 -1.569 188 2HB GLN 679 1HB GLN 679 9.876 1.825 -1.144 189 1HG GLN 679 2HG GLN 679 11.221 2.927 -3.281 190 2HG GLN 679 1HG GLN 679 10.569 4.354 -2.474 191 1HE2 GLN 679 1HE2 GLN 679 11.038 4.503 -0.053 192 2HE2 GLN 679 2HE2 GLN 679 12.489 3.838 0.524 193 HA PRO 680 HA PRO 680 9.149 -2.454 -3.463 194 1HB PRO 680 2HB PRO 680 11.953 -2.853 -2.960 195 2HB PRO 680 1HB PRO 680 11.069 -3.121 -4.465 196 1HG PRO 680 2HG PRO 680 12.950 -1.039 -3.883 197 2HG PRO 680 1HG PRO 680 12.048 -1.297 -5.379 198 1HD PRO 680 2HD PRO 680 11.656 0.777 -3.407 199 2HD PRO 680 1HD PRO 680 10.754 0.522 -4.921 200 H HIS 681 H HIS 681 8.212 -3.020 -1.502 201 HA HIS 681 HA HIS 681 9.985 -3.425 0.824 202 1HB HIS 681 2HB HIS 681 7.730 -1.410 0.689 203 2HB HIS 681 1HB HIS 681 8.324 -2.041 2.225 204 HD1 HIS 681 1HD HIS 681 11.330 -2.143 1.688 205 HD2 HIS 681 2HD HIS 681 8.940 1.094 0.592 206 HE1 HIS 681 1HE HIS 681 12.882 -0.160 1.440 207 H THR 682 H THR 682 7.921 -3.797 2.729 208 HA THR 682 HA THR 682 6.154 -5.864 1.471 209 HB THR 682 HB THR 682 8.100 -6.102 3.773 210 HG1 THR 682 1HG THR 682 7.614 -7.874 1.635 211 1HG2 THR 682 1HG2 THR 682 6.709 -8.539 3.438 212 2HG2 THR 682 2HG2 THR 682 5.478 -7.279 3.557 213 3HG2 THR 682 3HG2 THR 682 6.673 -7.470 4.841 214 H SER 683 H SER 683 4.078 -5.784 2.263 215 HA SER 683 HA SER 683 3.368 -3.745 4.246 216 1HB SER 683 2HB SER 683 1.773 -5.868 2.772 217 2HB SER 683 1HB SER 683 1.076 -4.534 3.686 218 HG SER 683 HG SER 683 2.641 -3.285 2.188 219 H LEU 684 H LEU 684 2.456 -4.196 6.320 220 HA LEU 684 HA LEU 684 2.281 -6.999 7.239 221 1HB LEU 684 2HB LEU 684 4.060 -6.844 8.788 222 2HB LEU 684 1HB LEU 684 4.701 -6.046 7.353 223 HG LEU 684 HG LEU 684 3.538 -4.724 9.819 224 1HD1 LEU 684 1HD1 LEU 684 5.786 -3.694 9.928 225 2HD1 LEU 684 2HD1 LEU 684 6.269 -4.610 8.500 226 3HD1 LEU 684 3HD1 LEU 684 5.882 -5.453 10.000 227 1HD2 LEU 684 1HD2 LEU 684 4.204 -2.597 8.540 228 2HD2 LEU 684 2HD2 LEU 684 2.742 -3.417 7.994 229 3HD2 LEU 684 3HD2 LEU 684 4.248 -3.613 7.097 230 H ALA 685 H ALA 685 1.862 -6.804 9.822 231 HA ALA 685 HA ALA 685 -0.629 -5.426 10.138 232 1HB ALA 685 1HB ALA 685 -0.216 -7.355 11.445 233 2HB ALA 685 2HB ALA 685 -0.091 -6.035 12.608 234 3HB ALA 685 3HB ALA 685 1.370 -6.774 11.954 235 H GLY 686 H GLY 686 0.174 -3.212 9.406 236 1HA GLY 686 2HA GLY 686 0.314 -1.367 11.499 237 2HA GLY 686 1HA GLY 686 1.992 -1.725 11.093 238 H TRP 687 H TRP 687 1.387 -2.167 8.234 239 HA TRP 687 HA TRP 687 1.459 0.662 7.404 240 1HB TRP 687 2HB TRP 687 1.879 -2.039 6.126 241 2HB TRP 687 1HB TRP 687 1.810 -0.577 5.142 242 HD1 TRP 687 HD TRP 687 3.207 0.318 8.387 243 HE1 TRP 687 1HE TRP 687 5.776 0.485 8.288 244 HE3 TRP 687 3HE TRP 687 4.063 -1.964 3.900 245 HZ2 TRP 687 2HZ TRP 687 7.914 -0.252 6.535 246 HZ3 TRP 687 3HZ TRP 687 6.374 -2.218 3.040 247 HH2 TRP 687 HH TRP 687 8.299 -1.365 4.351 248 H GLU 688 H GLU 688 -1.120 -0.453 8.416 249 HA GLU 688 HA GLU 688 -2.791 -0.699 5.990 250 1HB GLU 688 2HB GLU 688 -4.037 -0.466 8.681 251 2HB GLU 688 1HB GLU 688 -4.341 -1.629 7.399 252 1HG GLU 688 2HG GLU 688 -1.882 -2.442 8.034 253 2HG GLU 688 1HG GLU 688 -2.306 -1.718 9.587 254 HA PRO 689 HA PRO 689 -4.492 3.409 7.865 255 1HB PRO 689 2HB PRO 689 -2.485 4.507 9.609 256 2HB PRO 689 1HB PRO 689 -4.110 3.958 10.033 257 1HG PRO 689 2HG PRO 689 -1.664 2.729 10.761 258 2HG PRO 689 1HG PRO 689 -3.290 2.078 10.997 259 1HD PRO 689 2HD PRO 689 -1.246 1.274 9.047 260 2HD PRO 689 1HD PRO 689 -2.739 0.428 9.517 261 H SER 690 H SER 690 -1.488 2.660 6.570 262 HA SER 690 HA SER 690 -0.077 3.785 5.053 263 1HB SER 690 2HB SER 690 -1.210 5.202 3.613 264 2HB SER 690 1HB SER 690 -2.572 4.391 4.380 265 HG SER 690 HG SER 690 -2.501 6.821 4.282 266 H ASN 691 H ASN 691 0.681 4.183 7.639 267 HA ASN 691 HA ASN 691 0.810 7.057 8.272 268 1HB ASN 691 2HB ASN 691 2.053 6.206 10.238 269 2HB ASN 691 1HB ASN 691 0.563 5.295 9.990 270 1HD2 ASN 691 1HD2 ASN 691 0.737 3.070 9.300 271 2HD2 ASN 691 2HD2 ASN 691 2.223 2.252 9.259 272 H VAL 692 H VAL 692 2.224 5.625 5.846 273 HA VAL 692 HA VAL 692 4.840 7.016 6.255 274 HB VAL 692 HB VAL 692 5.769 4.980 4.939 275 1HG1 VAL 692 1HG1 VAL 692 6.416 4.040 6.942 276 2HG1 VAL 692 2HG1 VAL 692 4.784 4.089 7.612 277 3HG1 VAL 692 3HG1 VAL 692 5.758 5.559 7.552 278 1HG2 VAL 692 1HG2 VAL 692 3.149 3.843 5.970 279 2HG2 VAL 692 2HG2 VAL 692 4.456 2.905 5.245 280 3HG2 VAL 692 3HG2 VAL 692 3.567 4.079 4.273 281 HA PRO 693 HA PRO 693 2.632 8.243 2.335 282 1HB PRO 693 2HB PRO 693 3.792 10.842 2.747 283 2HB PRO 693 1HB PRO 693 2.092 10.380 2.859 284 1HG PRO 693 2HG PRO 693 3.863 11.074 5.002 285 2HG PRO 693 1HG PRO 693 2.171 10.582 5.111 286 1HD PRO 693 2HD PRO 693 4.518 9.069 5.866 287 2HD PRO 693 1HD PRO 693 2.810 8.586 6.008 288 H ALA 694 H ALA 694 5.845 8.074 3.487 289 HA ALA 694 HA ALA 694 7.220 9.176 1.181 290 1HB ALA 694 1HB ALA 694 9.155 8.405 2.330 291 2HB ALA 694 2HB ALA 694 8.254 7.129 3.149 292 3HB ALA 694 3HB ALA 694 8.008 8.815 3.606 293 H LEU 695 H LEU 695 5.954 5.977 2.019 294 HA LEU 695 HA LEU 695 6.965 5.007 -0.627 295 1HB LEU 695 2HB LEU 695 7.904 3.220 0.415 296 2HB LEU 695 1HB LEU 695 7.776 4.206 1.862 297 HG LEU 695 HG LEU 695 6.881 2.049 2.389 298 1HD1 LEU 695 1HD1 LEU 695 5.088 2.846 3.483 299 2HD1 LEU 695 2HD1 LEU 695 4.237 3.202 1.985 300 3HD1 LEU 695 3HD1 LEU 695 5.382 4.366 2.643 301 1HD2 LEU 695 1HD2 LEU 695 4.634 1.923 0.566 302 2HD2 LEU 695 2HD2 LEU 695 5.894 0.724 0.865 303 3HD2 LEU 695 3HD2 LEU 695 6.155 2.001 -0.324 304 H TRP 696 H TRP 696 4.218 5.536 1.343 305 HA TRP 696 HA TRP 696 2.583 3.654 -0.324 306 1HB TRP 696 2HB TRP 696 2.573 4.580 2.485 307 2HB TRP 696 1HB TRP 696 0.980 4.494 1.736 308 HD1 TRP 696 HD TRP 696 2.695 2.457 3.901 309 HE1 TRP 696 1HE TRP 696 2.447 -0.065 3.442 310 HE3 TRP 696 3HE TRP 696 1.035 2.601 -0.929 311 HZ2 TRP 696 2HZ TRP 696 1.650 -1.795 1.307 312 HZ3 TRP 696 3HZ TRP 696 0.539 0.502 -2.148 313 HH2 TRP 696 HH TRP 696 0.844 -1.694 -1.038 314 H GLN 697 H GLN 697 2.276 5.087 -2.121 315 HA GLN 697 HA GLN 697 1.008 7.729 -1.566 316 1HB GLN 697 2HB GLN 697 2.789 7.905 -3.107 317 2HB GLN 697 1HB GLN 697 2.380 6.378 -3.888 318 1HG GLN 697 2HG GLN 697 0.886 7.360 -5.285 319 2HG GLN 697 1HG GLN 697 0.228 8.381 -4.006 320 1HE2 GLN 697 1HE2 GLN 697 1.033 9.189 -6.786 321 2HE2 GLN 697 2HE2 GLN 697 2.202 10.402 -6.583 322 H LEU 698 H LEU 698 -1.214 7.473 -1.313 323 HA LEU 698 HA LEU 698 -2.606 5.413 -2.931 324 1HB LEU 698 2HB LEU 698 -4.313 5.621 -1.305 325 2HB LEU 698 1HB LEU 698 -2.826 5.864 -0.390 326 HG LEU 698 HG LEU 698 -3.452 8.416 -1.303 327 1HD1 LEU 698 1HD1 LEU 698 -5.813 6.862 -1.443 328 2HD1 LEU 698 2HD1 LEU 698 -5.681 8.618 -1.558 329 3HD1 LEU 698 3HD1 LEU 698 -5.963 7.854 0.007 330 1HD2 LEU 698 1HD2 LEU 698 -4.554 8.106 1.290 331 2HD2 LEU 698 2HD2 LEU 698 -2.931 8.656 0.879 332 3HD2 LEU 698 3HD2 LEU 698 -3.234 6.944 1.171 333 H GLN 699 H GLN 699 -5.101 6.496 -3.218 334 HA GLN 699 HA GLN 699 -4.891 9.143 -4.521 335 1HB GLN 699 2HB GLN 699 -5.393 8.289 -6.721 336 2HB GLN 699 1HB GLN 699 -4.042 7.339 -6.102 337 1HG GLN 699 2HG GLN 699 -5.328 5.549 -6.661 338 2HG GLN 699 1HG GLN 699 -6.181 5.909 -5.160 339 1HE2 GLN 699 1HE2 GLN 699 -6.254 6.622 -8.682 340 2HE2 GLN 699 2HE2 GLN 699 -7.925 6.912 -8.743 Start of MODEL 18 1 HA ALA 655 HA ALA 655 -7.937 -5.431 -2.011 2 1HB ALA 655 1HB ALA 655 -7.931 -7.950 -3.477 3 2HB ALA 655 2HB ALA 655 -8.993 -7.428 -2.170 4 3HB ALA 655 3HB ALA 655 -7.443 -8.181 -1.798 5 H TRP 656 H TRP 656 -6.141 -4.380 -1.057 6 HA TRP 656 HA TRP 656 -3.438 -5.185 -1.109 7 1HB TRP 656 2HB TRP 656 -4.136 -3.032 -0.282 8 2HB TRP 656 1HB TRP 656 -5.137 -3.774 0.967 9 HD1 TRP 656 HD TRP 656 -1.408 -3.642 -0.061 10 HE1 TRP 656 1HE TRP 656 0.017 -3.736 2.086 11 HE3 TRP 656 3HE TRP 656 -5.098 -4.193 3.428 12 HZ2 TRP 656 2HZ TRP 656 -0.357 -4.009 4.908 13 HZ3 TRP 656 3HZ TRP 656 -4.536 -4.367 5.834 14 HH2 TRP 656 HH TRP 656 -2.173 -4.276 6.578 15 H GLN 657 H GLN 657 -2.210 -6.573 0.212 16 HA GLN 657 HA GLN 657 -3.776 -8.386 2.024 17 1HB GLN 657 2HB GLN 657 -1.559 -8.828 0.024 18 2HB GLN 657 1HB GLN 657 -1.858 -9.997 1.310 19 1HG GLN 657 2HG GLN 657 -4.397 -9.528 0.343 20 2HG GLN 657 1HG GLN 657 -3.417 -9.454 -1.121 21 1HE2 GLN 657 1HE2 GLN 657 -5.267 -11.630 0.305 22 2HE2 GLN 657 2HE2 GLN 657 -4.346 -13.044 0.124 23 H VAL 658 H VAL 658 -2.940 -8.639 4.093 24 HA VAL 658 HA VAL 658 -0.815 -6.855 4.980 25 HB VAL 658 HB VAL 658 -2.064 -9.157 6.487 26 1HG1 VAL 658 1HG1 VAL 658 -1.932 -6.870 8.069 27 2HG1 VAL 658 2HG1 VAL 658 -0.447 -6.808 7.119 28 3HG1 VAL 658 3HG1 VAL 658 -0.800 -8.223 8.111 29 1HG2 VAL 658 1HG2 VAL 658 -4.024 -8.182 5.725 30 2HG2 VAL 658 2HG2 VAL 658 -3.275 -6.599 5.511 31 3HG2 VAL 658 3HG2 VAL 658 -3.709 -7.159 7.127 32 H ASN 659 H ASN 659 1.293 -7.440 5.608 33 HA ASN 659 HA ASN 659 3.249 -8.766 5.734 34 1HB ASN 659 2HB ASN 659 1.216 -10.223 6.792 35 2HB ASN 659 1HB ASN 659 1.679 -11.273 5.451 36 1HD2 ASN 659 1HD2 ASN 659 3.565 -9.201 7.739 37 2HD2 ASN 659 2HD2 ASN 659 4.642 -10.433 8.191 38 H THR 660 H THR 660 2.834 -7.770 3.252 39 HA THR 660 HA THR 660 3.558 -10.060 1.471 40 HB THR 660 HB THR 660 1.556 -7.849 0.897 41 HG1 THR 660 1HG THR 660 0.461 -9.271 2.055 42 1HG2 THR 660 1HG2 THR 660 2.641 -10.128 -0.767 43 2HG2 THR 660 2HG2 THR 660 2.656 -8.406 -1.150 44 3HG2 THR 660 3HG2 THR 660 1.134 -9.298 -1.157 45 H ALA 661 H ALA 661 5.231 -9.539 0.062 46 HA ALA 661 HA ALA 661 6.567 -6.945 0.410 47 1HB ALA 661 1HB ALA 661 8.264 -8.039 -1.031 48 2HB ALA 661 2HB ALA 661 7.142 -9.366 -1.333 49 3HB ALA 661 3HB ALA 661 7.775 -9.098 0.291 50 H TYR 662 H TYR 662 5.784 -5.220 -0.756 51 HA TYR 662 HA TYR 662 4.611 -5.720 -3.455 52 1HB TYR 662 2HB TYR 662 4.476 -3.515 -1.394 53 2HB TYR 662 1HB TYR 662 3.878 -3.274 -3.037 54 HD1 TYR 662 1HD TYR 662 2.342 -5.258 -3.947 55 HD2 TYR 662 2HD TYR 662 2.987 -4.341 0.200 56 HE1 TYR 662 1HE TYR 662 0.245 -6.443 -3.359 57 HE2 TYR 662 2HE TYR 662 0.888 -5.526 0.788 58 HH TYR 662 HH TYR 662 -0.953 -7.309 -1.648 59 H THR 663 H THR 663 5.341 -4.455 -5.266 60 HA THR 663 HA THR 663 8.165 -3.535 -5.017 61 HB THR 663 HB THR 663 8.230 -3.942 -7.391 62 HG1 THR 663 1HG THR 663 6.396 -4.181 -8.582 63 1HG2 THR 663 1HG2 THR 663 7.865 -6.235 -7.403 64 2HG2 THR 663 2HG2 THR 663 6.344 -6.101 -6.520 65 3HG2 THR 663 3HG2 THR 663 7.877 -5.914 -5.669 66 H ALA 664 H ALA 664 8.751 -1.524 -6.224 67 HA ALA 664 HA ALA 664 7.206 0.736 -5.495 68 1HB ALA 664 1HB ALA 664 9.345 1.353 -6.006 69 2HB ALA 664 2HB ALA 664 8.702 1.571 -7.634 70 3HB ALA 664 3HB ALA 664 9.525 0.071 -7.203 71 H GLY 665 H GLY 665 5.465 1.732 -6.466 72 1HA GLY 665 2HA GLY 665 3.974 2.357 -8.202 73 2HA GLY 665 1HA GLY 665 4.916 1.373 -9.323 74 H GLN 666 H GLN 666 3.735 0.088 -6.278 75 HA GLN 666 HA GLN 666 2.250 -1.997 -7.738 76 1HB GLN 666 2HB GLN 666 3.582 -1.642 -5.237 77 2HB GLN 666 1HB GLN 666 1.907 -2.068 -4.889 78 1HG GLN 666 2HG GLN 666 3.632 -3.587 -6.861 79 2HG GLN 666 1HG GLN 666 3.463 -4.047 -5.166 80 1HE2 GLN 666 1HE2 GLN 666 2.423 -5.235 -7.892 81 2HE2 GLN 666 2HE2 GLN 666 0.791 -5.558 -7.559 82 H LEU 667 H LEU 667 -0.033 -2.498 -7.059 83 HA LEU 667 HA LEU 667 -1.553 -0.017 -6.318 84 1HB LEU 667 2HB LEU 667 -1.503 -0.761 -8.775 85 2HB LEU 667 1HB LEU 667 -2.437 -2.164 -8.259 86 HG LEU 667 HG LEU 667 -3.888 -0.315 -9.081 87 1HD1 LEU 667 1HD1 LEU 667 -4.381 -0.432 -6.135 88 2HD1 LEU 667 2HD1 LEU 667 -4.363 -1.952 -7.030 89 3HD1 LEU 667 3HD1 LEU 667 -5.505 -0.683 -7.471 90 1HD2 LEU 667 1HD2 LEU 667 -3.591 1.820 -8.403 91 2HD2 LEU 667 2HD2 LEU 667 -2.095 1.277 -7.645 92 3HD2 LEU 667 3HD2 LEU 667 -3.585 1.345 -6.704 93 H VAL 668 H VAL 668 -2.245 -0.525 -4.237 94 HA VAL 668 HA VAL 668 -3.529 -3.212 -3.844 95 HB VAL 668 HB VAL 668 -2.718 -3.137 -1.600 96 1HG1 VAL 668 1HG1 VAL 668 -0.301 -2.752 -1.874 97 2HG1 VAL 668 2HG1 VAL 668 -0.607 -1.866 -3.368 98 3HG1 VAL 668 3HG1 VAL 668 -0.963 -3.591 -3.278 99 1HG2 VAL 668 1HG2 VAL 668 -1.571 -1.034 -0.744 100 2HG2 VAL 668 2HG2 VAL 668 -3.313 -0.889 -0.975 101 3HG2 VAL 668 3HG2 VAL 668 -2.206 -0.202 -2.163 102 H THR 669 H THR 669 -5.324 -3.117 -2.155 103 HA THR 669 HA THR 669 -6.658 -0.451 -2.043 104 HB THR 669 HB THR 669 -8.747 -1.515 -2.814 105 HG1 THR 669 1HG THR 669 -8.659 -3.583 -2.294 106 1HG2 THR 669 1HG2 THR 669 -7.030 -0.586 -4.440 107 2HG2 THR 669 2HG2 THR 669 -8.148 -1.769 -5.120 108 3HG2 THR 669 3HG2 THR 669 -6.503 -2.248 -4.704 109 H TYR 670 H TYR 670 -6.824 -0.143 0.167 110 HA TYR 670 HA TYR 670 -7.101 -2.406 2.011 111 1HB TYR 670 2HB TYR 670 -7.163 0.615 2.306 112 2HB TYR 670 1HB TYR 670 -7.204 -0.502 3.670 113 HD1 TYR 670 1HD TYR 670 -5.182 0.580 0.742 114 HD2 TYR 670 2HD TYR 670 -5.224 -1.584 4.449 115 HE1 TYR 670 1HE TYR 670 -2.714 0.380 0.651 116 HE2 TYR 670 2HE TYR 670 -2.754 -1.786 4.357 117 HH TYR 670 HH TYR 670 -0.975 -1.382 1.698 118 H ASN 671 H ASN 671 -8.929 -1.519 3.876 119 HA ASN 671 HA ASN 671 -11.433 -2.389 2.910 120 1HB ASN 671 2HB ASN 671 -10.497 -0.692 5.220 121 2HB ASN 671 1HB ASN 671 -12.213 -1.046 5.007 122 1HD2 ASN 671 1HD2 ASN 671 -12.576 -2.615 6.627 123 2HD2 ASN 671 2HD2 ASN 671 -11.711 -4.070 6.746 124 H GLY 672 H GLY 672 -11.936 -1.288 0.916 125 1HA GLY 672 2HA GLY 672 -13.026 0.382 -0.327 126 2HA GLY 672 1HA GLY 672 -13.458 1.134 1.209 127 H LYS 673 H LYS 673 -10.170 0.466 0.077 128 HA LYS 673 HA LYS 673 -9.740 3.398 -0.321 129 1HB LYS 673 2HB LYS 673 -8.954 1.793 1.910 130 2HB LYS 673 1HB LYS 673 -7.496 2.224 1.017 131 1HG LYS 673 2HG LYS 673 -7.797 4.040 2.497 132 2HG LYS 673 1HG LYS 673 -8.475 4.623 0.976 133 1HD LYS 673 2HD LYS 673 -10.662 4.462 1.726 134 2HD LYS 673 1HD LYS 673 -10.282 3.187 2.883 135 1HE LYS 673 2HE LYS 673 -9.317 4.728 4.429 136 2HE LYS 673 1HE LYS 673 -9.239 6.014 3.210 137 1HZ LYS 673 1HZ LYS 673 -11.348 6.558 3.592 138 2HZ LYS 673 2HZ LYS 673 -11.336 5.509 4.928 139 3HZ LYS 673 3HZ LYS 673 -11.872 4.954 3.415 140 H THR 674 H THR 674 -8.033 3.861 -1.792 141 HA THR 674 HA THR 674 -6.869 1.475 -3.199 142 HB THR 674 HB THR 674 -7.713 4.204 -4.237 143 HG1 THR 674 1HG THR 674 -9.241 2.347 -3.703 144 1HG2 THR 674 1HG2 THR 674 -6.950 3.563 -6.366 145 2HG2 THR 674 2HG2 THR 674 -6.852 1.861 -5.919 146 3HG2 THR 674 3HG2 THR 674 -5.665 3.006 -5.296 147 H TYR 675 H TYR 675 -4.697 1.381 -2.730 148 HA TYR 675 HA TYR 675 -3.240 3.970 -2.326 149 1HB TYR 675 2HB TYR 675 -3.065 1.210 -1.152 150 2HB TYR 675 1HB TYR 675 -1.645 2.260 -1.122 151 HD1 TYR 675 1HD TYR 675 -5.273 2.156 -0.236 152 HD2 TYR 675 2HD TYR 675 -1.449 3.968 0.492 153 HE1 TYR 675 1HE TYR 675 -6.222 3.384 1.697 154 HE2 TYR 675 2HE TYR 675 -2.402 5.198 2.421 155 HH TYR 675 HH TYR 675 -5.574 5.653 2.930 156 H LYS 676 H LYS 676 -0.868 3.810 -2.936 157 HA LYS 676 HA LYS 676 -0.386 1.994 -5.262 158 1HB LYS 676 2HB LYS 676 -0.749 4.903 -5.148 159 2HB LYS 676 1HB LYS 676 0.753 4.434 -5.946 160 1HG LYS 676 2HG LYS 676 -0.578 4.188 -7.778 161 2HG LYS 676 1HG LYS 676 -0.992 2.643 -7.037 162 1HD LYS 676 2HD LYS 676 -3.044 3.394 -6.275 163 2HD LYS 676 1HD LYS 676 -2.508 5.072 -6.173 164 1HE LYS 676 2HE LYS 676 -2.330 4.262 -8.916 165 2HE LYS 676 1HE LYS 676 -3.944 3.840 -8.310 166 1HZ LYS 676 1HZ LYS 676 -2.590 6.467 -7.987 167 2HZ LYS 676 2HZ LYS 676 -4.105 6.059 -7.336 168 3HZ LYS 676 3HZ LYS 676 -3.896 6.146 -9.020 169 H CYS 677 H CYS 677 1.289 0.806 -4.278 170 HA CYS 677 HA CYS 677 3.230 1.795 -2.456 171 1HB CYS 677 2HB CYS 677 2.584 -0.581 -3.860 172 2HB CYS 677 1HB CYS 677 4.286 -0.258 -4.190 173 HG CYS 677 HG CYS 677 4.072 -1.584 -1.908 174 H LEU 678 H LEU 678 5.279 2.723 -2.773 175 HA LEU 678 HA LEU 678 5.890 3.607 -5.576 176 1HB LEU 678 2HB LEU 678 5.217 5.193 -3.580 177 2HB LEU 678 1HB LEU 678 6.891 4.953 -3.082 178 HG LEU 678 HG LEU 678 7.378 5.501 -5.633 179 1HD1 LEU 678 1HD1 LEU 678 5.725 6.539 -6.800 180 2HD1 LEU 678 2HD1 LEU 678 5.159 7.427 -5.386 181 3HD1 LEU 678 3HD1 LEU 678 4.645 5.760 -5.644 182 1HD2 LEU 678 1HD2 LEU 678 8.203 7.458 -4.809 183 2HD2 LEU 678 2HD2 LEU 678 7.627 6.851 -3.256 184 3HD2 LEU 678 3HD2 LEU 678 6.632 7.967 -4.190 185 H GLN 679 H GLN 679 7.090 1.924 -2.770 186 HA GLN 679 HA GLN 679 9.707 1.555 -4.179 187 1HB GLN 679 2HB GLN 679 9.141 2.241 -1.282 188 2HB GLN 679 1HB GLN 679 10.718 1.688 -1.849 189 1HG GLN 679 2HG GLN 679 9.339 4.004 -3.192 190 2HG GLN 679 1HG GLN 679 10.284 4.253 -1.722 191 1HE2 GLN 679 1HE2 GLN 679 12.616 3.828 -1.826 192 2HE2 GLN 679 2HE2 GLN 679 13.418 3.707 -3.317 193 HA PRO 680 HA PRO 680 8.863 -2.742 -3.483 194 1HB PRO 680 2HB PRO 680 11.671 -3.354 -3.359 195 2HB PRO 680 1HB PRO 680 10.572 -3.571 -4.724 196 1HG PRO 680 2HG PRO 680 12.672 -1.644 -4.462 197 2HG PRO 680 1HG PRO 680 11.544 -1.838 -5.807 198 1HD PRO 680 2HD PRO 680 11.607 0.270 -3.822 199 2HD PRO 680 1HD PRO 680 10.504 0.099 -5.209 200 H HIS 681 H HIS 681 8.090 -2.546 -1.272 201 HA HIS 681 HA HIS 681 10.189 -3.129 0.792 202 1HB HIS 681 2HB HIS 681 7.795 -1.269 0.879 203 2HB HIS 681 1HB HIS 681 8.735 -1.709 2.305 204 HD1 HIS 681 1HD HIS 681 11.500 -1.725 0.603 205 HD2 HIS 681 2HD HIS 681 8.782 1.418 0.937 206 HE1 HIS 681 1HE HIS 681 12.790 0.395 0.092 207 H THR 682 H THR 682 8.514 -3.570 2.943 208 HA THR 682 HA THR 682 6.717 -5.785 2.005 209 HB THR 682 HB THR 682 8.782 -5.623 4.205 210 HG1 THR 682 1HG THR 682 8.471 -7.862 2.641 211 1HG2 THR 682 1HG2 THR 682 7.580 -8.145 4.346 212 2HG2 THR 682 2HG2 THR 682 6.229 -7.016 4.243 213 3HG2 THR 682 3HG2 THR 682 7.425 -6.844 5.528 214 H SER 683 H SER 683 4.637 -5.304 2.585 215 HA SER 683 HA SER 683 4.107 -3.410 4.798 216 1HB SER 683 2HB SER 683 2.315 -4.872 2.830 217 2HB SER 683 1HB SER 683 1.795 -3.585 3.914 218 HG SER 683 HG SER 683 3.954 -3.245 2.126 219 H LEU 684 H LEU 684 3.177 -4.046 6.762 220 HA LEU 684 HA LEU 684 2.407 -6.915 7.055 221 1HB LEU 684 2HB LEU 684 3.655 -6.783 9.301 222 2HB LEU 684 1HB LEU 684 4.641 -6.870 7.849 223 HG LEU 684 HG LEU 684 5.365 -5.158 9.588 224 1HD1 LEU 684 1HD1 LEU 684 6.414 -4.138 7.883 225 2HD1 LEU 684 2HD1 LEU 684 4.905 -3.445 7.291 226 3HD1 LEU 684 3HD1 LEU 684 5.385 -5.066 6.792 227 1HD2 LEU 684 1HD2 LEU 684 2.933 -4.426 9.986 228 2HD2 LEU 684 2HD2 LEU 684 3.091 -3.498 8.497 229 3HD2 LEU 684 3HD2 LEU 684 4.141 -3.148 9.866 230 H ALA 685 H ALA 685 1.768 -6.942 9.718 231 HA ALA 685 HA ALA 685 -0.785 -5.619 9.792 232 1HB ALA 685 1HB ALA 685 -0.395 -7.686 10.965 233 2HB ALA 685 2HB ALA 685 -0.672 -6.455 12.197 234 3HB ALA 685 3HB ALA 685 0.968 -6.996 11.844 235 H GLY 686 H GLY 686 -0.079 -3.341 9.399 236 1HA GLY 686 2HA GLY 686 -0.170 -1.671 11.608 237 2HA GLY 686 1HA GLY 686 1.552 -1.979 11.381 238 H TRP 687 H TRP 687 1.286 -2.231 8.452 239 HA TRP 687 HA TRP 687 1.401 0.650 7.828 240 1HB TRP 687 2HB TRP 687 2.255 -1.945 6.680 241 2HB TRP 687 1HB TRP 687 1.862 -0.695 5.500 242 HD1 TRP 687 HD TRP 687 3.058 0.801 8.659 243 HE1 TRP 687 1HE TRP 687 5.504 1.576 8.424 244 HE3 TRP 687 3HE TRP 687 4.292 -1.489 4.265 245 HZ2 TRP 687 2HZ TRP 687 7.696 1.268 6.612 246 HZ3 TRP 687 3HZ TRP 687 6.564 -1.232 3.309 247 HH2 TRP 687 HH TRP 687 8.266 0.142 4.476 248 H GLU 688 H GLU 688 -1.250 -0.553 8.454 249 HA GLU 688 HA GLU 688 -2.641 -0.706 5.861 250 1HB GLU 688 2HB GLU 688 -4.088 -0.527 8.474 251 2HB GLU 688 1HB GLU 688 -4.404 -1.563 7.089 252 1HG GLU 688 2HG GLU 688 -2.117 -2.671 7.709 253 2HG GLU 688 1HG GLU 688 -2.384 -1.927 9.285 254 HA PRO 689 HA PRO 689 -4.491 3.390 7.642 255 1HB PRO 689 2HB PRO 689 -2.561 4.496 9.467 256 2HB PRO 689 1HB PRO 689 -4.209 3.967 9.820 257 1HG PRO 689 2HG PRO 689 -1.799 2.722 10.661 258 2HG PRO 689 1HG PRO 689 -3.442 2.110 10.869 259 1HD PRO 689 2HD PRO 689 -1.363 1.188 9.028 260 2HD PRO 689 1HD PRO 689 -2.919 0.423 9.426 261 H SER 690 H SER 690 -1.339 2.604 6.679 262 HA SER 690 HA SER 690 0.099 3.631 5.113 263 1HB SER 690 2HB SER 690 -0.986 4.992 3.605 264 2HB SER 690 1HB SER 690 -2.405 4.394 4.457 265 HG SER 690 HG SER 690 -0.997 6.823 4.877 266 H ASN 691 H ASN 691 0.876 3.953 7.649 267 HA ASN 691 HA ASN 691 1.052 6.753 8.482 268 1HB ASN 691 2HB ASN 691 2.768 4.482 9.478 269 2HB ASN 691 1HB ASN 691 2.101 5.837 10.385 270 1HD2 ASN 691 1HD2 ASN 691 1.667 2.550 9.822 271 2HD2 ASN 691 2HD2 ASN 691 0.034 2.420 10.267 272 H VAL 692 H VAL 692 2.494 5.266 5.947 273 HA VAL 692 HA VAL 692 4.950 6.956 6.210 274 HB VAL 692 HB VAL 692 6.174 4.990 5.178 275 1HG1 VAL 692 1HG1 VAL 692 6.573 4.002 7.264 276 2HG1 VAL 692 2HG1 VAL 692 4.885 4.134 7.758 277 3HG1 VAL 692 3HG1 VAL 692 5.908 5.570 7.719 278 1HG2 VAL 692 1HG2 VAL 692 4.315 3.786 4.213 279 2HG2 VAL 692 2HG2 VAL 692 3.509 3.675 5.777 280 3HG2 VAL 692 3HG2 VAL 692 4.996 2.771 5.484 281 HA PRO 693 HA PRO 693 2.674 7.705 2.221 282 1HB PRO 693 2HB PRO 693 3.765 10.364 2.374 283 2HB PRO 693 1HB PRO 693 2.079 9.867 2.557 284 1HG PRO 693 2HG PRO 693 3.876 10.789 4.598 285 2HG PRO 693 1HG PRO 693 2.191 10.293 4.777 286 1HD PRO 693 2HD PRO 693 4.545 8.886 5.662 287 2HD PRO 693 1HD PRO 693 2.847 8.376 5.820 288 H ALA 694 H ALA 694 5.944 8.124 3.363 289 HA ALA 694 HA ALA 694 7.365 8.967 1.107 290 1HB ALA 694 1HB ALA 694 8.591 8.602 3.067 291 2HB ALA 694 2HB ALA 694 9.077 7.216 2.091 292 3HB ALA 694 3HB ALA 694 7.855 7.026 3.349 293 H LEU 695 H LEU 695 6.036 5.736 1.788 294 HA LEU 695 HA LEU 695 6.711 4.982 -1.031 295 1HB LEU 695 2HB LEU 695 7.669 3.073 -0.246 296 2HB LEU 695 1HB LEU 695 7.738 3.932 1.284 297 HG LEU 695 HG LEU 695 6.802 1.771 1.721 298 1HD1 LEU 695 1HD1 LEU 695 5.172 2.538 3.063 299 2HD1 LEU 695 2HD1 LEU 695 4.188 3.054 1.697 300 3HD1 LEU 695 3HD1 LEU 695 5.447 4.112 2.323 301 1HD2 LEU 695 1HD2 LEU 695 4.372 1.876 0.162 302 2HD2 LEU 695 2HD2 LEU 695 5.616 0.627 0.194 303 3HD2 LEU 695 3HD2 LEU 695 5.778 2.006 -0.893 304 H TRP 696 H TRP 696 4.229 5.461 1.262 305 HA TRP 696 HA TRP 696 2.325 3.714 -0.242 306 1HB TRP 696 2HB TRP 696 2.604 4.800 2.501 307 2HB TRP 696 1HB TRP 696 0.954 4.747 1.884 308 HD1 TRP 696 HD TRP 696 2.712 2.768 4.049 309 HE1 TRP 696 1HE TRP 696 2.331 0.235 3.761 310 HE3 TRP 696 3HE TRP 696 0.762 2.697 -0.675 311 HZ2 TRP 696 2HZ TRP 696 1.332 -1.580 1.792 312 HZ3 TRP 696 3HZ TRP 696 0.107 0.553 -1.729 313 HH2 TRP 696 HH TRP 696 0.388 -1.584 -0.503 314 H GLN 697 H GLN 697 1.721 4.960 -2.045 315 HA GLN 697 HA GLN 697 0.928 7.800 -1.595 316 1HB GLN 697 2HB GLN 697 2.493 7.349 -3.400 317 2HB GLN 697 1HB GLN 697 1.431 6.104 -4.059 318 1HG GLN 697 2HG GLN 697 0.895 7.934 -5.407 319 2HG GLN 697 1HG GLN 697 -0.333 8.052 -4.147 320 1HE2 GLN 697 1HE2 GLN 697 -0.487 10.085 -3.194 321 2HE2 GLN 697 2HE2 GLN 697 0.760 11.235 -3.144 322 H LEU 698 H LEU 698 -1.173 7.596 -0.698 323 HA LEU 698 HA LEU 698 -3.155 5.755 -1.766 324 1HB LEU 698 2HB LEU 698 -3.275 6.432 0.528 325 2HB LEU 698 1HB LEU 698 -3.169 8.139 0.101 326 HG LEU 698 HG LEU 698 -5.366 7.840 -1.147 327 1HD1 LEU 698 1HD1 LEU 698 -4.864 5.117 -0.328 328 2HD1 LEU 698 2HD1 LEU 698 -6.132 5.735 -1.387 329 3HD1 LEU 698 3HD1 LEU 698 -6.390 5.676 0.357 330 1HD2 LEU 698 1HD2 LEU 698 -5.238 8.909 1.068 331 2HD2 LEU 698 2HD2 LEU 698 -5.333 7.329 1.843 332 3HD2 LEU 698 3HD2 LEU 698 -6.710 7.945 0.930 333 H GLN 699 H GLN 699 -5.173 6.483 -2.824 334 HA GLN 699 HA GLN 699 -4.903 9.061 -4.326 335 1HB GLN 699 2HB GLN 699 -5.580 7.839 -6.353 336 2HB GLN 699 1HB GLN 699 -4.130 7.108 -5.664 337 1HG GLN 699 2HG GLN 699 -5.222 5.143 -5.577 338 2HG GLN 699 1HG GLN 699 -6.322 5.853 -4.393 339 1HE2 GLN 699 1HE2 GLN 699 -5.971 6.700 -7.867 340 2HE2 GLN 699 2HE2 GLN 699 -7.570 6.309 -8.281 Start of MODEL 19 1 HA ALA 655 HA ALA 655 -6.264 -4.576 -3.156 2 1HB ALA 655 1HB ALA 655 -8.076 -5.421 -2.104 3 2HB ALA 655 2HB ALA 655 -7.056 -6.577 -1.246 4 3HB ALA 655 3HB ALA 655 -7.729 -6.995 -2.822 5 H TRP 656 H TRP 656 -5.497 -4.275 -0.803 6 HA TRP 656 HA TRP 656 -2.703 -5.075 -0.603 7 1HB TRP 656 2HB TRP 656 -3.395 -2.888 0.129 8 2HB TRP 656 1HB TRP 656 -4.645 -3.570 1.169 9 HD1 TRP 656 HD TRP 656 -0.847 -3.190 0.896 10 HE1 TRP 656 1HE TRP 656 0.194 -3.588 3.220 11 HE3 TRP 656 3HE TRP 656 -4.992 -4.694 3.478 12 HZ2 TRP 656 2HZ TRP 656 -0.618 -4.434 5.824 13 HZ3 TRP 656 3HZ TRP 656 -4.828 -5.290 5.877 14 HH2 TRP 656 HH TRP 656 -2.648 -5.162 7.054 15 H GLN 657 H GLN 657 -1.801 -6.326 1.169 16 HA GLN 657 HA GLN 657 -3.667 -7.914 2.840 17 1HB GLN 657 2HB GLN 657 -2.245 -8.823 0.421 18 2HB GLN 657 1HB GLN 657 -2.022 -9.873 1.821 19 1HG GLN 657 2HG GLN 657 -4.794 -8.972 1.481 20 2HG GLN 657 1HG GLN 657 -4.202 -9.931 0.125 21 1HE2 GLN 657 1HE2 GLN 657 -3.996 -12.184 0.439 22 2HE2 GLN 657 2HE2 GLN 657 -4.243 -12.959 1.928 23 H VAL 658 H VAL 658 -2.743 -7.776 4.853 24 HA VAL 658 HA VAL 658 -0.179 -6.844 5.491 25 HB VAL 658 HB VAL 658 -1.938 -7.073 7.128 26 1HG1 VAL 658 1HG1 VAL 658 -2.083 -9.764 5.985 27 2HG1 VAL 658 2HG1 VAL 658 -3.320 -8.844 6.843 28 3HG1 VAL 658 3HG1 VAL 658 -2.127 -9.776 7.747 29 1HG2 VAL 658 1HG2 VAL 658 -0.512 -7.552 8.827 30 2HG2 VAL 658 2HG2 VAL 658 0.675 -7.883 7.565 31 3HG2 VAL 658 3HG2 VAL 658 -0.265 -9.203 8.259 32 H ASN 659 H ASN 659 1.811 -7.904 5.965 33 HA ASN 659 HA ASN 659 3.495 -9.543 5.703 34 1HB ASN 659 2HB ASN 659 1.404 -10.683 6.965 35 2HB ASN 659 1HB ASN 659 1.414 -11.670 5.504 36 1HD2 ASN 659 1HD2 ASN 659 2.531 -11.814 8.560 37 2HD2 ASN 659 2HD2 ASN 659 4.003 -12.625 8.320 38 H THR 660 H THR 660 2.873 -8.274 3.354 39 HA THR 660 HA THR 660 3.039 -10.501 1.365 40 HB THR 660 HB THR 660 1.228 -8.067 1.315 41 HG1 THR 660 1HG THR 660 -0.096 -10.226 0.828 42 1HG2 THR 660 1HG2 THR 660 2.485 -9.168 -0.876 43 2HG2 THR 660 2HG2 THR 660 0.952 -8.298 -0.921 44 3HG2 THR 660 3HG2 THR 660 0.964 -10.059 -0.830 45 H ALA 661 H ALA 661 4.538 -10.083 -0.263 46 HA ALA 661 HA ALA 661 6.321 -7.792 0.051 47 1HB ALA 661 1HB ALA 661 7.629 -8.960 -1.550 48 2HB ALA 661 2HB ALA 661 6.214 -9.747 -2.250 49 3HB ALA 661 3HB ALA 661 6.799 -10.237 -0.659 50 H TYR 662 H TYR 662 6.478 -5.992 -1.325 51 HA TYR 662 HA TYR 662 4.532 -5.802 -3.594 52 1HB TYR 662 2HB TYR 662 4.903 -4.037 -1.177 53 2HB TYR 662 1HB TYR 662 4.248 -3.371 -2.673 54 HD1 TYR 662 1HD TYR 662 2.422 -5.058 -3.812 55 HD2 TYR 662 2HD TYR 662 3.334 -4.756 0.375 56 HE1 TYR 662 1HE TYR 662 0.197 -6.004 -3.260 57 HE2 TYR 662 2HE TYR 662 1.109 -5.703 0.927 58 HH TYR 662 HH TYR 662 -0.594 -7.330 -0.483 59 H THR 663 H THR 663 5.264 -4.437 -5.303 60 HA THR 663 HA THR 663 8.173 -3.788 -5.206 61 HB THR 663 HB THR 663 7.825 -3.652 -7.700 62 HG1 THR 663 1HG THR 663 5.730 -3.154 -7.929 63 1HG2 THR 663 1HG2 THR 663 8.243 -5.816 -6.224 64 2HG2 THR 663 2HG2 THR 663 7.931 -5.950 -7.955 65 3HG2 THR 663 3HG2 THR 663 6.631 -6.243 -6.801 66 H ALA 664 H ALA 664 8.631 -1.736 -6.708 67 HA ALA 664 HA ALA 664 7.277 0.530 -5.426 68 1HB ALA 664 1HB ALA 664 9.001 1.349 -7.524 69 2HB ALA 664 2HB ALA 664 9.735 -0.083 -6.801 70 3HB ALA 664 3HB ALA 664 9.357 1.317 -5.798 71 H GLY 665 H GLY 665 5.615 1.692 -6.331 72 1HA GLY 665 2HA GLY 665 4.330 2.681 -8.077 73 2HA GLY 665 1HA GLY 665 5.263 1.753 -9.252 74 H GLN 666 H GLN 666 3.846 0.173 -6.471 75 HA GLN 666 HA GLN 666 2.207 -1.494 -8.287 76 1HB GLN 666 2HB GLN 666 3.543 -1.716 -5.745 77 2HB GLN 666 1HB GLN 666 1.846 -2.150 -5.540 78 1HG GLN 666 2HG GLN 666 3.096 -3.248 -7.976 79 2HG GLN 666 1HG GLN 666 3.774 -3.863 -6.467 80 1HE2 GLN 666 1HE2 GLN 666 2.739 -5.985 -6.908 81 2HE2 GLN 666 2HE2 GLN 666 1.073 -6.191 -6.654 82 H LEU 667 H LEU 667 -0.062 -2.087 -7.081 83 HA LEU 667 HA LEU 667 -1.322 0.432 -6.092 84 1HB LEU 667 2HB LEU 667 -1.914 -1.150 -8.578 85 2HB LEU 667 1HB LEU 667 -3.210 -0.250 -7.788 86 HG LEU 667 HG LEU 667 -0.601 1.135 -8.290 87 1HD1 LEU 667 1HD1 LEU 667 -1.242 -0.016 -10.426 88 2HD1 LEU 667 2HD1 LEU 667 -1.279 1.743 -10.541 89 3HD1 LEU 667 3HD1 LEU 667 -2.784 0.839 -10.374 90 1HD2 LEU 667 1HD2 LEU 667 -3.466 2.097 -8.508 91 2HD2 LEU 667 2HD2 LEU 667 -2.011 3.083 -8.358 92 3HD2 LEU 667 3HD2 LEU 667 -2.561 2.109 -6.994 93 H VAL 668 H VAL 668 -1.783 -0.459 -4.055 94 HA VAL 668 HA VAL 668 -3.373 -2.996 -3.978 95 HB VAL 668 HB VAL 668 -2.551 -3.189 -1.731 96 1HG1 VAL 668 1HG1 VAL 668 -0.373 -3.579 -2.262 97 2HG1 VAL 668 2HG1 VAL 668 -0.105 -1.915 -2.782 98 3HG1 VAL 668 3HG1 VAL 668 -0.856 -3.071 -3.881 99 1HG2 VAL 668 1HG2 VAL 668 -2.822 -1.111 -0.712 100 2HG2 VAL 668 2HG2 VAL 668 -2.082 -0.242 -2.055 101 3HG2 VAL 668 3HG2 VAL 668 -1.072 -1.141 -0.922 102 H THR 669 H THR 669 -5.043 -2.889 -2.040 103 HA THR 669 HA THR 669 -6.262 -0.168 -1.854 104 HB THR 669 HB THR 669 -8.453 -1.206 -2.410 105 HG1 THR 669 1HG THR 669 -8.012 -3.396 -3.486 106 1HG2 THR 669 1HG2 THR 669 -6.359 -0.591 -4.146 107 2HG2 THR 669 2HG2 THR 669 -8.057 -0.772 -4.587 108 3HG2 THR 669 3HG2 THR 669 -6.958 -2.144 -4.728 109 H TYR 670 H TYR 670 -6.760 0.261 0.275 110 HA TYR 670 HA TYR 670 -6.756 -2.009 2.197 111 1HB TYR 670 2HB TYR 670 -6.650 1.010 2.434 112 2HB TYR 670 1HB TYR 670 -6.710 -0.060 3.834 113 HD1 TYR 670 1HD TYR 670 -4.692 1.065 0.966 114 HD2 TYR 670 2HD TYR 670 -4.834 -1.517 4.396 115 HE1 TYR 670 1HE TYR 670 -2.248 0.691 0.785 116 HE2 TYR 670 2HE TYR 670 -2.388 -1.891 4.215 117 HH TYR 670 HH TYR 670 -0.364 0.020 2.421 118 H ASN 671 H ASN 671 -8.851 -2.907 1.803 119 HA ASN 671 HA ASN 671 -11.216 -3.031 1.915 120 1HB ASN 671 2HB ASN 671 -9.997 -1.874 4.297 121 2HB ASN 671 1HB ASN 671 -11.681 -1.377 4.123 122 1HD2 ASN 671 1HD2 ASN 671 -12.743 -3.705 2.860 123 2HD2 ASN 671 2HD2 ASN 671 -12.645 -5.005 3.948 124 H GLY 672 H GLY 672 -11.611 -1.779 -0.074 125 1HA GLY 672 2HA GLY 672 -12.820 -0.114 -1.202 126 2HA GLY 672 1HA GLY 672 -13.322 0.499 0.373 127 H LYS 673 H LYS 673 -9.988 0.322 0.393 128 HA LYS 673 HA LYS 673 -9.804 3.248 -0.178 129 1HB LYS 673 2HB LYS 673 -8.084 1.265 1.333 130 2HB LYS 673 1HB LYS 673 -7.672 2.967 1.139 131 1HG LYS 673 2HG LYS 673 -10.340 2.116 2.266 132 2HG LYS 673 1HG LYS 673 -8.922 2.305 3.298 133 1HD LYS 673 2HD LYS 673 -8.956 4.604 1.689 134 2HD LYS 673 1HD LYS 673 -10.636 4.350 2.158 135 1HE LYS 673 2HE LYS 673 -8.911 3.873 4.433 136 2HE LYS 673 1HE LYS 673 -8.604 5.485 3.754 137 1HZ LYS 673 1HZ LYS 673 -10.869 6.034 3.861 138 2HZ LYS 673 2HZ LYS 673 -10.538 5.300 5.358 139 3HZ LYS 673 3HZ LYS 673 -11.344 4.430 4.141 140 H THR 674 H THR 674 -8.352 4.022 -1.727 141 HA THR 674 HA THR 674 -7.108 1.971 -3.511 142 HB THR 674 HB THR 674 -7.189 4.822 -4.291 143 HG1 THR 674 1HG THR 674 -9.560 3.322 -3.882 144 1HG2 THR 674 1HG2 THR 674 -8.322 2.342 -5.605 145 2HG2 THR 674 2HG2 THR 674 -6.649 2.868 -5.783 146 3HG2 THR 674 3HG2 THR 674 -7.961 3.885 -6.378 147 H TYR 675 H TYR 675 -4.957 1.649 -3.070 148 HA TYR 675 HA TYR 675 -3.281 4.046 -2.420 149 1HB TYR 675 2HB TYR 675 -3.648 1.422 -1.034 150 2HB TYR 675 1HB TYR 675 -2.053 2.172 -0.988 151 HD1 TYR 675 1HD TYR 675 -1.618 4.076 0.372 152 HD2 TYR 675 2HD TYR 675 -5.651 2.721 -0.216 153 HE1 TYR 675 1HE TYR 675 -2.397 5.626 2.138 154 HE2 TYR 675 2HE TYR 675 -6.429 4.270 1.554 155 HH TYR 675 HH TYR 675 -5.822 6.105 2.792 156 H LYS 676 H LYS 676 -0.946 3.648 -2.868 157 HA LYS 676 HA LYS 676 -0.399 1.469 -4.827 158 1HB LYS 676 2HB LYS 676 0.176 2.974 -6.520 159 2HB LYS 676 1HB LYS 676 -1.145 3.842 -5.744 160 1HG LYS 676 2HG LYS 676 0.667 4.941 -4.279 161 2HG LYS 676 1HG LYS 676 1.824 4.314 -5.454 162 1HD LYS 676 2HD LYS 676 -0.112 5.451 -7.064 163 2HD LYS 676 1HD LYS 676 -0.047 6.562 -5.696 164 1HE LYS 676 2HE LYS 676 1.833 7.454 -6.595 165 2HE LYS 676 1HE LYS 676 2.647 5.902 -6.315 166 1HZ LYS 676 1HZ LYS 676 0.796 6.102 -8.575 167 2HZ LYS 676 2HZ LYS 676 2.210 5.174 -8.415 168 3HZ LYS 676 3HZ LYS 676 2.314 6.839 -8.740 169 H CYS 677 H CYS 677 1.764 0.738 -4.711 170 HA CYS 677 HA CYS 677 3.331 1.693 -2.397 171 1HB CYS 677 2HB CYS 677 2.847 -0.739 -3.235 172 2HB CYS 677 1HB CYS 677 4.145 -0.422 -4.386 173 HG CYS 677 HG CYS 677 5.337 -1.358 -2.300 174 H LEU 678 H LEU 678 5.364 2.716 -2.579 175 HA LEU 678 HA LEU 678 6.066 3.701 -5.319 176 1HB LEU 678 2HB LEU 678 5.838 4.848 -2.646 177 2HB LEU 678 1HB LEU 678 7.409 5.198 -3.369 178 HG LEU 678 HG LEU 678 5.528 5.561 -5.436 179 1HD1 LEU 678 1HD1 LEU 678 4.537 6.446 -2.748 180 2HD1 LEU 678 2HD1 LEU 678 3.628 5.817 -4.122 181 3HD1 LEU 678 3HD1 LEU 678 4.229 7.475 -4.147 182 1HD2 LEU 678 1HD2 LEU 678 7.108 7.428 -3.653 183 2HD2 LEU 678 2HD2 LEU 678 6.163 8.014 -5.022 184 3HD2 LEU 678 3HD2 LEU 678 7.502 6.897 -5.289 185 H GLN 679 H GLN 679 7.216 1.885 -2.566 186 HA GLN 679 HA GLN 679 9.832 1.501 -3.976 187 1HB GLN 679 2HB GLN 679 9.187 2.570 -1.314 188 2HB GLN 679 1HB GLN 679 10.390 1.281 -1.272 189 1HG GLN 679 2HG GLN 679 11.910 2.473 -2.580 190 2HG GLN 679 1HG GLN 679 10.653 3.476 -3.305 191 1HE2 GLN 679 1HE2 GLN 679 9.620 5.135 -1.824 192 2HE2 GLN 679 2HE2 GLN 679 10.544 5.777 -0.552 193 HA PRO 680 HA PRO 680 8.840 -2.796 -3.528 194 1HB PRO 680 2HB PRO 680 11.622 -3.512 -3.372 195 2HB PRO 680 1HB PRO 680 10.549 -3.618 -4.771 196 1HG PRO 680 2HG PRO 680 12.705 -1.777 -4.353 197 2HG PRO 680 1HG PRO 680 11.609 -1.865 -5.735 198 1HD PRO 680 2HD PRO 680 11.683 0.137 -3.648 199 2HD PRO 680 1HD PRO 680 10.606 0.066 -5.063 200 H HIS 681 H HIS 681 8.013 -2.959 -1.395 201 HA HIS 681 HA HIS 681 10.020 -3.665 0.704 202 1HB HIS 681 2HB HIS 681 7.778 -1.632 0.798 203 2HB HIS 681 1HB HIS 681 8.519 -2.281 2.261 204 HD1 HIS 681 1HD HIS 681 11.430 -2.431 0.793 205 HD2 HIS 681 2HD HIS 681 9.003 0.927 1.248 206 HE1 HIS 681 1HE HIS 681 12.956 -0.417 0.623 207 H THR 682 H THR 682 8.435 -4.321 2.765 208 HA THR 682 HA THR 682 6.481 -6.296 1.625 209 HB THR 682 HB THR 682 8.343 -6.404 4.018 210 HG1 THR 682 1HG THR 682 8.891 -8.378 2.650 211 1HG2 THR 682 1HG2 THR 682 7.384 -8.449 4.650 212 2HG2 THR 682 2HG2 THR 682 6.598 -8.671 3.087 213 3HG2 THR 682 3HG2 THR 682 5.975 -7.476 4.225 214 H SER 683 H SER 683 4.399 -5.828 2.209 215 HA SER 683 HA SER 683 3.735 -3.824 4.190 216 1HB SER 683 2HB SER 683 2.145 -4.007 2.519 217 2HB SER 683 1HB SER 683 2.364 -5.748 2.363 218 HG SER 683 HG SER 683 0.612 -5.835 3.523 219 H LEU 684 H LEU 684 2.954 -4.147 6.314 220 HA LEU 684 HA LEU 684 2.673 -6.938 7.303 221 1HB LEU 684 2HB LEU 684 4.425 -6.744 8.850 222 2HB LEU 684 1HB LEU 684 5.076 -5.896 7.450 223 HG LEU 684 HG LEU 684 3.760 -4.633 9.872 224 1HD1 LEU 684 1HD1 LEU 684 6.548 -4.156 8.832 225 2HD1 LEU 684 2HD1 LEU 684 6.208 -5.506 9.914 226 3HD1 LEU 684 3HD1 LEU 684 5.907 -3.852 10.445 227 1HD2 LEU 684 1HD2 LEU 684 4.506 -2.490 8.690 228 2HD2 LEU 684 2HD2 LEU 684 3.121 -3.317 7.977 229 3HD2 LEU 684 3HD2 LEU 684 4.717 -3.475 7.242 230 H ALA 685 H ALA 685 2.185 -6.658 9.869 231 HA ALA 685 HA ALA 685 -0.341 -5.324 10.076 232 1HB ALA 685 1HB ALA 685 -0.172 -7.005 11.619 233 2HB ALA 685 2HB ALA 685 0.489 -5.733 12.647 234 3HB ALA 685 3HB ALA 685 1.575 -6.813 11.773 235 H GLY 686 H GLY 686 0.557 -3.148 9.225 236 1HA GLY 686 2HA GLY 686 0.599 -1.222 11.300 237 2HA GLY 686 1HA GLY 686 2.274 -1.526 10.836 238 H TRP 687 H TRP 687 1.623 -2.092 8.039 239 HA TRP 687 HA TRP 687 1.497 0.696 7.085 240 1HB TRP 687 2HB TRP 687 1.991 -2.026 5.858 241 2HB TRP 687 1HB TRP 687 1.927 -0.557 4.886 242 HD1 TRP 687 HD TRP 687 3.313 0.073 8.262 243 HE1 TRP 687 1HE TRP 687 5.875 0.335 8.144 244 HE3 TRP 687 3HE TRP 687 4.150 -1.593 3.510 245 HZ2 TRP 687 2HZ TRP 687 7.999 -0.104 6.277 246 HZ3 TRP 687 3HZ TRP 687 6.448 -1.660 2.586 247 HH2 TRP 687 HH TRP 687 8.372 -0.919 3.963 248 H GLU 688 H GLU 688 -0.975 -0.523 8.215 249 HA GLU 688 HA GLU 688 -2.682 -1.002 5.850 250 1HB GLU 688 2HB GLU 688 -3.883 -0.720 8.553 251 2HB GLU 688 1HB GLU 688 -4.128 -1.967 7.341 252 1HG GLU 688 2HG GLU 688 -1.717 -2.726 7.911 253 2HG GLU 688 1HG GLU 688 -1.901 -1.741 9.364 254 HA PRO 689 HA PRO 689 -4.607 3.069 7.564 255 1HB PRO 689 2HB PRO 689 -2.652 4.370 9.223 256 2HB PRO 689 1HB PRO 689 -4.230 3.739 9.704 257 1HG PRO 689 2HG PRO 689 -1.696 2.707 10.439 258 2HG PRO 689 1HG PRO 689 -3.271 1.967 10.743 259 1HD PRO 689 2HD PRO 689 -1.217 1.196 8.791 260 2HD PRO 689 1HD PRO 689 -2.646 0.285 9.331 261 H SER 690 H SER 690 -1.500 2.438 6.397 262 HA SER 690 HA SER 690 -0.100 3.566 4.872 263 1HB SER 690 2HB SER 690 -2.025 5.598 4.110 264 2HB SER 690 1HB SER 690 -1.403 4.249 3.165 265 HG SER 690 HG SER 690 -3.197 3.240 3.544 266 H ASN 691 H ASN 691 0.125 4.375 7.562 267 HA ASN 691 HA ASN 691 -0.015 7.296 7.758 268 1HB ASN 691 2HB ASN 691 0.986 6.849 9.963 269 2HB ASN 691 1HB ASN 691 -0.324 5.707 9.653 270 1HD2 ASN 691 1HD2 ASN 691 0.199 3.485 9.624 271 2HD2 ASN 691 2HD2 ASN 691 1.780 2.883 9.756 272 H VAL 692 H VAL 692 1.941 5.427 5.943 273 HA VAL 692 HA VAL 692 4.347 7.166 6.396 274 HB VAL 692 HB VAL 692 5.536 5.100 5.418 275 1HG1 VAL 692 1HG1 VAL 692 5.967 4.466 7.559 276 2HG1 VAL 692 2HG1 VAL 692 4.265 4.158 7.907 277 3HG1 VAL 692 3HG1 VAL 692 4.900 5.802 7.995 278 1HG2 VAL 692 1HG2 VAL 692 4.343 3.016 5.436 279 2HG2 VAL 692 2HG2 VAL 692 3.333 4.160 4.548 280 3HG2 VAL 692 3HG2 VAL 692 2.945 3.753 6.219 281 HA PRO 693 HA PRO 693 2.551 7.995 2.183 282 1HB PRO 693 2HB PRO 693 3.726 10.607 2.443 283 2HB PRO 693 1HB PRO 693 2.012 10.182 2.457 284 1HG PRO 693 2HG PRO 693 3.635 11.038 4.666 285 2HG PRO 693 1HG PRO 693 1.917 10.627 4.673 286 1HD PRO 693 2HD PRO 693 4.097 9.118 5.802 287 2HD PRO 693 1HD PRO 693 2.369 8.687 5.781 288 H ALA 694 H ALA 694 5.663 8.106 3.677 289 HA ALA 694 HA ALA 694 7.353 8.944 1.567 290 1HB ALA 694 1HB ALA 694 7.639 8.095 4.120 291 2HB ALA 694 2HB ALA 694 8.993 8.195 2.994 292 3HB ALA 694 3HB ALA 694 8.187 6.650 3.270 293 H LEU 695 H LEU 695 5.616 5.917 2.017 294 HA LEU 695 HA LEU 695 6.602 5.055 -0.658 295 1HB LEU 695 2HB LEU 695 7.364 2.981 0.143 296 2HB LEU 695 1HB LEU 695 7.882 4.105 1.390 297 HG LEU 695 HG LEU 695 6.947 2.276 2.567 298 1HD1 LEU 695 1HD1 LEU 695 5.135 3.214 3.766 299 2HD1 LEU 695 2HD1 LEU 695 4.578 4.134 2.374 300 3HD1 LEU 695 3HD1 LEU 695 6.068 4.594 3.196 301 1HD2 LEU 695 1HD2 LEU 695 4.305 2.308 1.219 302 2HD2 LEU 695 2HD2 LEU 695 5.240 0.948 1.838 303 3HD2 LEU 695 3HD2 LEU 695 5.649 1.661 0.279 304 H TRP 696 H TRP 696 3.974 5.777 1.152 305 HA TRP 696 HA TRP 696 2.269 3.789 -0.314 306 1HB TRP 696 2HB TRP 696 2.430 4.611 2.545 307 2HB TRP 696 1HB TRP 696 0.815 4.334 1.894 308 HD1 TRP 696 HD TRP 696 2.956 2.480 3.861 309 HE1 TRP 696 1HE TRP 696 2.990 -0.039 3.320 310 HE3 TRP 696 3HE TRP 696 0.899 2.553 -0.815 311 HZ2 TRP 696 2HZ TRP 696 2.244 -1.794 1.187 312 HZ3 TRP 696 3HZ TRP 696 0.573 0.445 -2.076 313 HH2 TRP 696 HH TRP 696 1.241 -1.726 -1.083 314 H GLN 697 H GLN 697 1.768 5.342 -1.976 315 HA GLN 697 HA GLN 697 0.463 7.886 -1.111 316 1HB GLN 697 2HB GLN 697 2.292 7.945 -2.770 317 2HB GLN 697 1HB GLN 697 1.395 6.833 -3.804 318 1HG GLN 697 2HG GLN 697 -0.024 8.457 -4.539 319 2HG GLN 697 1HG GLN 697 -0.108 9.235 -2.958 320 1HE2 GLN 697 1HE2 GLN 697 2.778 8.539 -4.993 321 2HE2 GLN 697 2HE2 GLN 697 3.273 10.158 -5.110 322 H LEU 698 H LEU 698 -1.761 8.140 -1.376 323 HA LEU 698 HA LEU 698 -3.210 5.874 -2.703 324 1HB LEU 698 2HB LEU 698 -4.881 6.159 -1.055 325 2HB LEU 698 1HB LEU 698 -3.379 6.425 -0.173 326 HG LEU 698 HG LEU 698 -3.966 8.946 -1.153 327 1HD1 LEU 698 1HD1 LEU 698 -6.456 8.906 -0.017 328 2HD1 LEU 698 2HD1 LEU 698 -6.441 7.357 -0.861 329 3HD1 LEU 698 3HD1 LEU 698 -6.161 8.851 -1.756 330 1HD2 LEU 698 1HD2 LEU 698 -4.368 9.500 1.156 331 2HD2 LEU 698 2HD2 LEU 698 -3.186 8.192 1.143 332 3HD2 LEU 698 3HD2 LEU 698 -4.874 7.852 1.524 333 H GLN 699 H GLN 699 -5.647 6.873 -3.111 334 HA GLN 699 HA GLN 699 -5.570 9.561 -4.306 335 1HB GLN 699 2HB GLN 699 -5.843 8.781 -6.592 336 2HB GLN 699 1HB GLN 699 -4.406 8.011 -5.920 337 1HG GLN 699 2HG GLN 699 -5.343 6.064 -6.601 338 2HG GLN 699 1HG GLN 699 -6.410 6.250 -5.209 339 1HE2 GLN 699 1HE2 GLN 699 -6.211 6.594 -8.724 340 2HE2 GLN 699 2HE2 GLN 699 -7.870 6.850 -8.973 Start of MODEL 20 1 HA ALA 655 HA ALA 655 -6.629 -4.700 -3.154 2 1HB ALA 655 1HB ALA 655 -7.589 -4.919 -0.701 3 2HB ALA 655 2HB ALA 655 -8.095 -6.514 -1.260 4 3HB ALA 655 3HB ALA 655 -8.675 -5.065 -2.082 5 H TRP 656 H TRP 656 -5.865 -4.152 -0.518 6 HA TRP 656 HA TRP 656 -3.053 -4.693 -0.557 7 1HB TRP 656 2HB TRP 656 -3.976 -2.754 0.549 8 2HB TRP 656 1HB TRP 656 -4.985 -3.764 1.586 9 HD1 TRP 656 HD TRP 656 -1.226 -3.211 0.855 10 HE1 TRP 656 1HE TRP 656 0.080 -3.584 3.045 11 HE3 TRP 656 3HE TRP 656 -5.053 -4.596 3.938 12 HZ2 TRP 656 2HZ TRP 656 -0.431 -4.367 5.749 13 HZ3 TRP 656 3HZ TRP 656 -4.616 -5.149 6.313 14 HH2 TRP 656 HH TRP 656 -2.311 -5.038 7.222 15 H GLN 657 H GLN 657 -1.857 -6.323 0.418 16 HA GLN 657 HA GLN 657 -3.384 -8.387 1.975 17 1HB GLN 657 2HB GLN 657 -1.023 -8.729 0.097 18 2HB GLN 657 1HB GLN 657 -1.917 -10.027 0.889 19 1HG GLN 657 2HG GLN 657 -3.984 -9.268 -0.286 20 2HG GLN 657 1HG GLN 657 -3.019 -8.066 -1.145 21 1HE2 GLN 657 1HE2 GLN 657 -4.252 -9.871 -2.785 22 2HE2 GLN 657 2HE2 GLN 657 -3.154 -11.025 -3.369 23 H VAL 658 H VAL 658 -2.704 -8.311 4.082 24 HA VAL 658 HA VAL 658 -0.377 -6.990 5.040 25 HB VAL 658 HB VAL 658 -2.256 -7.493 6.464 26 1HG1 VAL 658 1HG1 VAL 658 -3.323 -9.384 5.679 27 2HG1 VAL 658 2HG1 VAL 658 -2.448 -10.100 7.031 28 3HG1 VAL 658 3HG1 VAL 658 -1.812 -10.246 5.393 29 1HG2 VAL 658 1HG2 VAL 658 -0.122 -7.498 7.638 30 2HG2 VAL 658 2HG2 VAL 658 0.159 -9.181 7.193 31 3HG2 VAL 658 3HG2 VAL 658 -1.137 -8.771 8.316 32 H ASN 659 H ASN 659 1.619 -7.912 5.863 33 HA ASN 659 HA ASN 659 3.553 -9.246 5.572 34 1HB ASN 659 2HB ASN 659 1.451 -10.648 6.701 35 2HB ASN 659 1HB ASN 659 1.959 -11.712 5.389 36 1HD2 ASN 659 1HD2 ASN 659 4.654 -11.557 5.280 37 2HD2 ASN 659 2HD2 ASN 659 5.375 -11.917 6.774 38 H THR 660 H THR 660 3.220 -8.202 3.209 39 HA THR 660 HA THR 660 3.410 -10.491 1.292 40 HB THR 660 HB THR 660 1.862 -7.919 0.855 41 HG1 THR 660 1HG THR 660 0.347 -10.104 0.860 42 1HG2 THR 660 1HG2 THR 660 2.273 -10.438 -0.761 43 2HG2 THR 660 2HG2 THR 660 2.577 -8.771 -1.247 44 3HG2 THR 660 3HG2 THR 660 0.921 -9.346 -1.058 45 H ALA 661 H ALA 661 4.643 -9.923 -0.655 46 HA ALA 661 HA ALA 661 6.641 -7.778 -0.127 47 1HB ALA 661 1HB ALA 661 6.699 -9.858 -2.314 48 2HB ALA 661 2HB ALA 661 7.102 -10.285 -0.651 49 3HB ALA 661 3HB ALA 661 8.058 -9.076 -1.508 50 H TYR 662 H TYR 662 6.084 -5.834 -1.058 51 HA TYR 662 HA TYR 662 4.756 -5.886 -3.748 52 1HB TYR 662 2HB TYR 662 4.703 -3.995 -1.388 53 2HB TYR 662 1HB TYR 662 4.100 -3.514 -2.973 54 HD1 TYR 662 1HD TYR 662 2.612 -5.543 -4.105 55 HD2 TYR 662 2HD TYR 662 3.070 -4.736 0.088 56 HE1 TYR 662 1HE TYR 662 0.472 -6.711 -3.647 57 HE2 TYR 662 2HE TYR 662 0.932 -5.905 0.547 58 HH TYR 662 HH TYR 662 -1.296 -6.669 -1.848 59 H THR 663 H THR 663 5.782 -4.802 -5.430 60 HA THR 663 HA THR 663 8.475 -3.661 -4.848 61 HB THR 663 HB THR 663 8.734 -3.973 -7.319 62 HG1 THR 663 1HG THR 663 7.074 -4.607 -8.496 63 1HG2 THR 663 1HG2 THR 663 7.992 -6.610 -7.022 64 2HG2 THR 663 2HG2 THR 663 8.171 -6.078 -5.350 65 3HG2 THR 663 3HG2 THR 663 9.519 -5.921 -6.476 66 H ALA 664 H ALA 664 9.022 -1.547 -5.599 67 HA ALA 664 HA ALA 664 7.270 0.565 -5.336 68 1HB ALA 664 1HB ALA 664 9.366 1.375 -5.670 69 2HB ALA 664 2HB ALA 664 8.934 1.395 -7.379 70 3HB ALA 664 3HB ALA 664 9.813 0.021 -6.706 71 H GLY 665 H GLY 665 5.553 1.374 -6.514 72 1HA GLY 665 2HA GLY 665 4.364 1.919 -8.529 73 2HA GLY 665 1HA GLY 665 5.339 0.732 -9.397 74 H GLN 666 H GLN 666 3.984 -0.227 -6.356 75 HA GLN 666 HA GLN 666 2.314 -2.234 -7.742 76 1HB GLN 666 2HB GLN 666 3.731 -1.921 -5.261 77 2HB GLN 666 1HB GLN 666 2.045 -2.300 -4.905 78 1HG GLN 666 2HG GLN 666 3.644 -3.856 -6.944 79 2HG GLN 666 1HG GLN 666 3.613 -4.301 -5.237 80 1HE2 GLN 666 1HE2 GLN 666 2.386 -5.634 -7.743 81 2HE2 GLN 666 2HE2 GLN 666 0.760 -5.875 -7.319 82 H LEU 667 H LEU 667 0.085 -2.596 -6.428 83 HA LEU 667 HA LEU 667 -1.203 0.014 -5.803 84 1HB LEU 667 2HB LEU 667 -1.505 -1.622 -8.230 85 2HB LEU 667 1HB LEU 667 -3.039 -1.199 -7.468 86 HG LEU 667 HG LEU 667 -0.892 0.867 -7.959 87 1HD1 LEU 667 1HD1 LEU 667 -1.339 0.040 -10.153 88 2HD1 LEU 667 2HD1 LEU 667 -2.350 1.474 -9.977 89 3HD1 LEU 667 3HD1 LEU 667 -3.062 -0.131 -9.814 90 1HD2 LEU 667 1HD2 LEU 667 -2.405 1.973 -6.664 91 2HD2 LEU 667 2HD2 LEU 667 -3.673 0.787 -6.968 92 3HD2 LEU 667 3HD2 LEU 667 -3.354 2.059 -8.148 93 H VAL 668 H VAL 668 -2.166 -0.374 -3.868 94 HA VAL 668 HA VAL 668 -3.566 -3.000 -3.469 95 HB VAL 668 HB VAL 668 -2.776 -2.966 -1.209 96 1HG1 VAL 668 1HG1 VAL 668 -0.562 -1.894 -2.985 97 2HG1 VAL 668 2HG1 VAL 668 -1.056 -3.584 -2.871 98 3HG1 VAL 668 3HG1 VAL 668 -0.332 -2.781 -1.478 99 1HG2 VAL 668 1HG2 VAL 668 -1.385 -0.910 -0.463 100 2HG2 VAL 668 2HG2 VAL 668 -3.139 -0.732 -0.513 101 3HG2 VAL 668 3HG2 VAL 668 -2.148 -0.075 -1.816 102 H THR 669 H THR 669 -5.344 -2.751 -1.738 103 HA THR 669 HA THR 669 -6.497 0.003 -1.675 104 HB THR 669 HB THR 669 -8.726 -1.314 -2.177 105 HG1 THR 669 1HG THR 669 -8.395 -3.153 -3.353 106 1HG2 THR 669 1HG2 THR 669 -6.749 -0.976 -4.438 107 2HG2 THR 669 2HG2 THR 669 -7.500 0.396 -3.622 108 3HG2 THR 669 3HG2 THR 669 -8.500 -0.770 -4.488 109 H TYR 670 H TYR 670 -6.733 0.401 0.502 110 HA TYR 670 HA TYR 670 -7.133 -1.828 2.397 111 1HB TYR 670 2HB TYR 670 -6.903 1.187 2.678 112 2HB TYR 670 1HB TYR 670 -6.962 0.064 4.037 113 HD1 TYR 670 1HD TYR 670 -5.108 -1.489 4.478 114 HD2 TYR 670 2HD TYR 670 -4.945 1.325 1.238 115 HE1 TYR 670 1HE TYR 670 -2.669 -1.881 4.260 116 HE2 TYR 670 2HE TYR 670 -2.506 0.933 1.020 117 HH TYR 670 HH TYR 670 -0.853 -1.509 3.001 118 H ASN 671 H ASN 671 -8.787 -0.547 4.286 119 HA ASN 671 HA ASN 671 -11.383 -1.284 3.643 120 1HB ASN 671 2HB ASN 671 -10.829 -0.662 5.870 121 2HB ASN 671 1HB ASN 671 -10.236 0.919 5.365 122 1HD2 ASN 671 1HD2 ASN 671 -11.909 1.533 7.180 123 2HD2 ASN 671 2HD2 ASN 671 -13.503 1.807 6.664 124 H GLY 672 H GLY 672 -11.934 -0.705 1.450 125 1HA GLY 672 2HA GLY 672 -12.695 0.702 -0.274 126 2HA GLY 672 1HA GLY 672 -13.380 1.663 1.040 127 H LYS 673 H LYS 673 -9.932 1.067 0.660 128 HA LYS 673 HA LYS 673 -9.569 3.984 0.044 129 1HB LYS 673 2HB LYS 673 -8.629 2.228 2.146 130 2HB LYS 673 1HB LYS 673 -7.258 2.894 1.258 131 1HG LYS 673 2HG LYS 673 -8.028 4.323 3.194 132 2HG LYS 673 1HG LYS 673 -8.017 5.155 1.639 133 1HD LYS 673 2HD LYS 673 -10.188 5.647 1.940 134 2HD LYS 673 1HD LYS 673 -10.550 3.924 1.849 135 1HE LYS 673 2HE LYS 673 -11.180 3.999 4.026 136 2HE LYS 673 1HE LYS 673 -9.504 4.395 4.454 137 1HZ LYS 673 1HZ LYS 673 -9.916 6.694 4.098 138 2HZ LYS 673 2HZ LYS 673 -11.161 6.126 5.105 139 3HZ LYS 673 3HZ LYS 673 -11.456 6.394 3.454 140 H THR 674 H THR 674 -8.131 4.482 -1.629 141 HA THR 674 HA THR 674 -7.055 2.172 -3.190 142 HB THR 674 HB THR 674 -6.994 4.959 -4.224 143 HG1 THR 674 1HG THR 674 -9.345 4.591 -4.680 144 1HG2 THR 674 1HG2 THR 674 -6.996 2.293 -5.213 145 2HG2 THR 674 2HG2 THR 674 -6.890 3.790 -6.139 146 3HG2 THR 674 3HG2 THR 674 -8.465 3.071 -5.802 147 H TYR 675 H TYR 675 -4.891 1.763 -2.866 148 HA TYR 675 HA TYR 675 -3.086 4.102 -2.350 149 1HB TYR 675 2HB TYR 675 -3.468 1.496 -0.909 150 2HB TYR 675 1HB TYR 675 -1.880 2.263 -0.894 151 HD1 TYR 675 1HD TYR 675 -1.432 4.109 0.515 152 HD2 TYR 675 2HD TYR 675 -5.485 2.870 -0.171 153 HE1 TYR 675 1HE TYR 675 -2.210 5.678 2.268 154 HE2 TYR 675 2HE TYR 675 -6.260 4.436 1.583 155 HH TYR 675 HH TYR 675 -5.500 6.485 2.684 156 H LYS 676 H LYS 676 -0.824 3.671 -2.950 157 HA LYS 676 HA LYS 676 -0.412 1.366 -4.794 158 1HB LYS 676 2HB LYS 676 0.188 2.779 -6.586 159 2HB LYS 676 1HB LYS 676 -1.192 3.612 -5.874 160 1HG LYS 676 2HG LYS 676 0.759 4.722 -4.399 161 2HG LYS 676 1HG LYS 676 1.692 4.359 -5.853 162 1HD LYS 676 2HD LYS 676 -0.852 5.453 -6.621 163 2HD LYS 676 1HD LYS 676 -0.096 6.525 -5.442 164 1HE LYS 676 2HE LYS 676 1.921 6.688 -6.783 165 2HE LYS 676 1HE LYS 676 1.323 5.451 -7.905 166 1HZ LYS 676 1HZ LYS 676 0.771 8.204 -7.921 167 2HZ LYS 676 2HZ LYS 676 -0.678 7.384 -7.589 168 3HZ LYS 676 3HZ LYS 676 0.209 7.016 -8.991 169 H CYS 677 H CYS 677 1.674 0.541 -4.630 170 HA CYS 677 HA CYS 677 3.374 1.556 -2.477 171 1HB CYS 677 2HB CYS 677 2.875 -0.853 -3.868 172 2HB CYS 677 1HB CYS 677 4.570 -0.464 -4.162 173 HG CYS 677 HG CYS 677 5.029 -0.535 -1.636 174 H LEU 678 H LEU 678 5.169 2.840 -2.715 175 HA LEU 678 HA LEU 678 5.959 3.630 -5.489 176 1HB LEU 678 2HB LEU 678 5.789 4.898 -2.809 177 2HB LEU 678 1HB LEU 678 7.152 5.402 -3.808 178 HG LEU 678 HG LEU 678 5.074 6.796 -4.124 179 1HD1 LEU 678 1HD1 LEU 678 5.983 7.207 -6.139 180 2HD1 LEU 678 2HD1 LEU 678 5.237 5.746 -6.787 181 3HD1 LEU 678 3HD1 LEU 678 6.839 5.667 -6.054 182 1HD2 LEU 678 1HD2 LEU 678 3.562 4.735 -3.903 183 2HD2 LEU 678 2HD2 LEU 678 4.008 4.359 -5.568 184 3HD2 LEU 678 3HD2 LEU 678 3.158 5.861 -5.199 185 H GLN 679 H GLN 679 7.068 2.020 -2.612 186 HA GLN 679 HA GLN 679 9.763 1.704 -3.877 187 1HB GLN 679 2HB GLN 679 9.184 2.062 -0.922 188 2HB GLN 679 1HB GLN 679 10.767 2.057 -1.703 189 1HG GLN 679 2HG GLN 679 10.001 4.062 -3.048 190 2HG GLN 679 1HG GLN 679 8.577 4.126 -2.009 191 1HE2 GLN 679 1HE2 GLN 679 11.934 4.971 -2.229 192 2HE2 GLN 679 2HE2 GLN 679 12.102 5.575 -0.651 193 HA PRO 680 HA PRO 680 8.942 -2.614 -3.377 194 1HB PRO 680 2HB PRO 680 11.726 -3.194 -2.945 195 2HB PRO 680 1HB PRO 680 10.791 -3.393 -4.430 196 1HG PRO 680 2HG PRO 680 12.802 -1.420 -3.859 197 2HG PRO 680 1HG PRO 680 11.886 -1.640 -5.352 198 1HD PRO 680 2HD PRO 680 11.617 0.479 -3.425 199 2HD PRO 680 1HD PRO 680 10.653 0.223 -4.900 200 H HIS 681 H HIS 681 7.914 -2.582 -1.288 201 HA HIS 681 HA HIS 681 9.745 -3.276 0.975 202 1HB HIS 681 2HB HIS 681 7.501 -1.243 0.858 203 2HB HIS 681 1HB HIS 681 8.159 -1.846 2.380 204 HD1 HIS 681 1HD HIS 681 11.157 -2.023 1.216 205 HD2 HIS 681 2HD HIS 681 8.682 1.331 1.184 206 HE1 HIS 681 1HE HIS 681 12.683 -0.009 1.052 207 H THR 682 H THR 682 8.539 -4.429 2.738 208 HA THR 682 HA THR 682 6.411 -6.160 1.569 209 HB THR 682 HB THR 682 8.167 -6.397 4.035 210 HG1 THR 682 1HG THR 682 8.820 -8.236 2.440 211 1HG2 THR 682 1HG2 THR 682 7.048 -8.863 3.020 212 2HG2 THR 682 2HG2 THR 682 5.762 -7.719 3.407 213 3HG2 THR 682 3HG2 THR 682 6.935 -8.178 4.641 214 H SER 683 H SER 683 4.320 -5.926 2.261 215 HA SER 683 HA SER 683 3.606 -3.908 4.235 216 1HB SER 683 2HB SER 683 2.375 -5.626 2.222 217 2HB SER 683 1HB SER 683 1.388 -5.522 3.677 218 HG SER 683 HG SER 683 2.420 -3.380 2.120 219 H LEU 684 H LEU 684 2.599 -4.321 6.294 220 HA LEU 684 HA LEU 684 2.493 -7.105 7.288 221 1HB LEU 684 2HB LEU 684 4.177 -6.816 8.925 222 2HB LEU 684 1HB LEU 684 4.861 -6.067 7.484 223 HG LEU 684 HG LEU 684 3.483 -4.635 9.774 224 1HD1 LEU 684 1HD1 LEU 684 5.947 -3.524 9.508 225 2HD1 LEU 684 2HD1 LEU 684 6.296 -5.179 9.004 226 3HD1 LEU 684 3HD1 LEU 684 5.604 -4.868 10.597 227 1HD2 LEU 684 1HD2 LEU 684 2.903 -3.377 7.871 228 2HD2 LEU 684 2HD2 LEU 684 4.426 -3.734 7.058 229 3HD2 LEU 684 3HD2 LEU 684 4.393 -2.607 8.414 230 H ALA 685 H ALA 685 1.875 -6.924 9.794 231 HA ALA 685 HA ALA 685 -0.646 -5.568 9.960 232 1HB ALA 685 1HB ALA 685 -0.469 -7.401 11.364 233 2HB ALA 685 2HB ALA 685 -0.069 -6.128 12.518 234 3HB ALA 685 3HB ALA 685 1.217 -7.064 11.757 235 H GLY 686 H GLY 686 0.426 -3.389 9.222 236 1HA GLY 686 2HA GLY 686 0.384 -1.563 11.414 237 2HA GLY 686 1HA GLY 686 2.065 -1.859 10.960 238 H TRP 687 H TRP 687 1.438 -2.270 8.124 239 HA TRP 687 HA TRP 687 1.340 0.571 7.326 240 1HB TRP 687 2HB TRP 687 1.923 -2.086 6.018 241 2HB TRP 687 1HB TRP 687 1.766 -0.617 5.055 242 HD1 TRP 687 HD TRP 687 3.125 0.319 8.310 243 HE1 TRP 687 1HE TRP 687 5.682 0.629 8.195 244 HE3 TRP 687 3HE TRP 687 4.072 -1.866 3.796 245 HZ2 TRP 687 2HZ TRP 687 7.844 0.028 6.419 246 HZ3 TRP 687 3HZ TRP 687 6.384 -1.986 2.916 247 HH2 TRP 687 HH TRP 687 8.271 -1.043 4.220 248 H GLU 688 H GLU 688 -1.143 -0.646 8.353 249 HA GLU 688 HA GLU 688 -2.814 -1.051 5.949 250 1HB GLU 688 2HB GLU 688 -4.063 -0.854 8.639 251 2HB GLU 688 1HB GLU 688 -4.285 -2.063 7.384 252 1HG GLU 688 2HG GLU 688 -1.938 -2.906 7.964 253 2HG GLU 688 1HG GLU 688 -2.039 -1.890 9.402 254 HA PRO 689 HA PRO 689 -4.711 2.999 7.721 255 1HB PRO 689 2HB PRO 689 -2.806 4.201 9.513 256 2HB PRO 689 1HB PRO 689 -4.417 3.586 9.897 257 1HG PRO 689 2HG PRO 689 -1.958 2.474 10.729 258 2HG PRO 689 1HG PRO 689 -3.554 1.735 10.884 259 1HD PRO 689 2HD PRO 689 -1.383 1.072 9.003 260 2HD PRO 689 1HD PRO 689 -2.816 0.118 9.448 261 H SER 690 H SER 690 -1.553 2.369 6.680 262 HA SER 690 HA SER 690 -0.157 3.486 5.134 263 1HB SER 690 2HB SER 690 -2.209 5.632 4.825 264 2HB SER 690 1HB SER 690 -1.303 4.763 3.590 265 HG SER 690 HG SER 690 -3.735 4.311 4.240 266 H ASN 691 H ASN 691 0.698 3.990 7.573 267 HA ASN 691 HA ASN 691 0.547 6.850 8.273 268 1HB ASN 691 2HB ASN 691 2.419 4.804 9.456 269 2HB ASN 691 1HB ASN 691 1.621 6.158 10.254 270 1HD2 ASN 691 1HD2 ASN 691 1.229 2.821 9.227 271 2HD2 ASN 691 2HD2 ASN 691 -0.291 2.581 9.940 272 H VAL 692 H VAL 692 2.047 5.537 5.775 273 HA VAL 692 HA VAL 692 4.447 7.296 6.065 274 HB VAL 692 HB VAL 692 5.742 5.395 4.993 275 1HG1 VAL 692 1HG1 VAL 692 4.417 4.786 7.653 276 2HG1 VAL 692 2HG1 VAL 692 5.804 5.853 7.432 277 3HG1 VAL 692 3HG1 VAL 692 5.954 4.131 7.086 278 1HG2 VAL 692 1HG2 VAL 692 4.723 3.152 5.118 279 2HG2 VAL 692 2HG2 VAL 692 3.776 4.207 4.069 280 3HG2 VAL 692 3HG2 VAL 692 3.221 3.863 5.707 281 HA PRO 693 HA PRO 693 2.084 7.910 2.078 282 1HB PRO 693 2HB PRO 693 2.855 10.674 2.316 283 2HB PRO 693 1HB PRO 693 1.236 9.978 2.454 284 1HG PRO 693 2HG PRO 693 2.879 11.049 4.552 285 2HG PRO 693 1HG PRO 693 1.261 10.358 4.685 286 1HD PRO 693 2HD PRO 693 3.747 9.210 5.582 287 2HD PRO 693 1HD PRO 693 2.117 8.502 5.693 288 H ALA 694 H ALA 694 5.261 8.668 3.299 289 HA ALA 694 HA ALA 694 6.576 9.699 1.025 290 1HB ALA 694 1HB ALA 694 7.652 9.578 3.166 291 2HB ALA 694 2HB ALA 694 8.568 8.511 2.101 292 3HB ALA 694 3HB ALA 694 7.419 7.832 3.255 293 H LEU 695 H LEU 695 5.863 6.303 1.875 294 HA LEU 695 HA LEU 695 6.789 5.535 -0.868 295 1HB LEU 695 2HB LEU 695 7.859 3.785 0.111 296 2HB LEU 695 1HB LEU 695 7.650 4.686 1.603 297 HG LEU 695 HG LEU 695 6.912 2.432 1.996 298 1HD1 LEU 695 1HD1 LEU 695 4.197 3.426 1.685 299 2HD1 LEU 695 2HD1 LEU 695 5.266 4.646 2.371 300 3HD1 LEU 695 3HD1 LEU 695 5.101 3.078 3.156 301 1HD2 LEU 695 1HD2 LEU 695 4.665 2.317 0.152 302 2HD2 LEU 695 2HD2 LEU 695 5.956 1.144 0.416 303 3HD2 LEU 695 3HD2 LEU 695 6.198 2.482 -0.707 304 H TRP 696 H TRP 696 4.071 5.800 1.188 305 HA TRP 696 HA TRP 696 2.472 3.899 -0.485 306 1HB TRP 696 2HB TRP 696 2.457 4.885 2.308 307 2HB TRP 696 1HB TRP 696 0.862 4.737 1.571 308 HD1 TRP 696 HD TRP 696 2.574 2.802 3.800 309 HE1 TRP 696 1HE TRP 696 2.414 0.262 3.389 310 HE3 TRP 696 3HE TRP 696 1.054 2.788 -1.078 311 HZ2 TRP 696 2HZ TRP 696 1.734 -1.538 1.274 312 HZ3 TRP 696 3HZ TRP 696 0.659 0.648 -2.264 313 HH2 TRP 696 HH TRP 696 0.996 -1.513 -1.096 314 H GLN 697 H GLN 697 1.931 5.191 -2.295 315 HA GLN 697 HA GLN 697 0.828 7.916 -1.800 316 1HB GLN 697 2HB GLN 697 2.633 7.422 -3.500 317 2HB GLN 697 1HB GLN 697 1.450 6.465 -4.391 318 1HG GLN 697 2HG GLN 697 1.112 8.476 -5.452 319 2HG GLN 697 1HG GLN 697 0.015 8.718 -4.092 320 1HE2 GLN 697 1HE2 GLN 697 1.847 10.651 -5.700 321 2HE2 GLN 697 2HE2 GLN 697 2.692 11.489 -4.489 322 H LEU 698 H LEU 698 -1.363 7.909 -1.416 323 HA LEU 698 HA LEU 698 -3.044 5.880 -2.821 324 1HB LEU 698 2HB LEU 698 -4.470 6.036 -0.962 325 2HB LEU 698 1HB LEU 698 -2.892 6.310 -0.234 326 HG LEU 698 HG LEU 698 -3.668 8.855 -1.027 327 1HD1 LEU 698 1HD1 LEU 698 -5.990 8.844 0.251 328 2HD1 LEU 698 2HD1 LEU 698 -6.042 7.169 -0.301 329 3HD1 LEU 698 3HD1 LEU 698 -5.922 8.481 -1.474 330 1HD2 LEU 698 1HD2 LEU 698 -2.954 9.083 1.100 331 2HD2 LEU 698 2HD2 LEU 698 -3.180 7.359 1.391 332 3HD2 LEU 698 3HD2 LEU 698 -4.515 8.481 1.653 333 H GLN 699 H GLN 699 -5.462 7.008 -2.954 334 HA GLN 699 HA GLN 699 -5.352 9.772 -3.956 335 1HB GLN 699 2HB GLN 699 -5.910 9.128 -6.258 336 2HB GLN 699 1HB GLN 699 -4.401 8.352 -5.776 337 1HG GLN 699 2HG GLN 699 -5.288 6.299 -6.045 338 2HG GLN 699 1HG GLN 699 -6.675 6.712 -5.038 339 1HE2 GLN 699 1HE2 GLN 699 -5.428 7.178 -8.387 340 2HE2 GLN 699 2HE2 GLN 699 -6.963 7.224 -9.110 Start of MODEL 21 1 HA ALA 655 HA ALA 655 -6.770 -5.184 -3.281 2 1HB ALA 655 1HB ALA 655 -8.117 -6.981 -1.253 3 2HB ALA 655 2HB ALA 655 -8.859 -5.737 -2.261 4 3HB ALA 655 3HB ALA 655 -7.800 -5.277 -0.927 5 H TRP 656 H TRP 656 -5.842 -4.418 -0.912 6 HA TRP 656 HA TRP 656 -3.095 -5.262 -0.855 7 1HB TRP 656 2HB TRP 656 -3.854 -3.043 -0.167 8 2HB TRP 656 1HB TRP 656 -4.843 -3.746 1.112 9 HD1 TRP 656 HD TRP 656 -1.188 -3.170 0.126 10 HE1 TRP 656 1HE TRP 656 0.278 -3.372 2.237 11 HE3 TRP 656 3HE TRP 656 -4.698 -4.726 3.490 12 HZ2 TRP 656 2HZ TRP 656 -0.002 -4.095 4.990 13 HZ3 TRP 656 3HZ TRP 656 -4.073 -5.163 5.848 14 HH2 TRP 656 HH TRP 656 -1.731 -4.851 6.602 15 H GLN 657 H GLN 657 -2.004 -6.446 0.852 16 HA GLN 657 HA GLN 657 -3.761 -8.079 2.635 17 1HB GLN 657 2HB GLN 657 -1.891 -8.926 0.457 18 2HB GLN 657 1HB GLN 657 -1.991 -9.940 1.897 19 1HG GLN 657 2HG GLN 657 -4.523 -9.005 0.580 20 2HG GLN 657 1HG GLN 657 -3.640 -10.368 -0.110 21 1HE2 GLN 657 1HE2 GLN 657 -6.287 -10.451 1.268 22 2HE2 GLN 657 2HE2 GLN 657 -6.090 -11.499 2.589 23 H VAL 658 H VAL 658 -2.566 -8.979 4.478 24 HA VAL 658 HA VAL 658 -0.368 -7.206 5.348 25 HB VAL 658 HB VAL 658 -1.758 -9.484 6.781 26 1HG1 VAL 658 1HG1 VAL 658 -1.041 -8.387 8.786 27 2HG1 VAL 658 2HG1 VAL 658 -0.532 -6.952 7.896 28 3HG1 VAL 658 3HG1 VAL 658 0.372 -8.457 7.733 29 1HG2 VAL 658 1HG2 VAL 658 -2.702 -6.836 7.469 30 2HG2 VAL 658 2HG2 VAL 658 -3.629 -8.232 6.921 31 3HG2 VAL 658 3HG2 VAL 658 -2.918 -7.130 5.744 32 H ASN 659 H ASN 659 1.719 -7.974 5.912 33 HA ASN 659 HA ASN 659 3.607 -9.395 5.817 34 1HB ASN 659 2HB ASN 659 1.747 -10.753 7.085 35 2HB ASN 659 1HB ASN 659 1.680 -11.698 5.597 36 1HD2 ASN 659 1HD2 ASN 659 3.932 -10.626 8.171 37 2HD2 ASN 659 2HD2 ASN 659 5.035 -11.898 7.954 38 H THR 660 H THR 660 2.980 -8.270 3.395 39 HA THR 660 HA THR 660 3.430 -10.536 1.483 40 HB THR 660 HB THR 660 1.665 -8.088 1.145 41 HG1 THR 660 1HG THR 660 1.101 -10.130 2.454 42 1HG2 THR 660 1HG2 THR 660 0.967 -9.319 -0.955 43 2HG2 THR 660 2HG2 THR 660 2.345 -10.391 -0.699 44 3HG2 THR 660 3HG2 THR 660 2.608 -8.671 -0.988 45 H ALA 661 H ALA 661 4.581 -9.842 -0.495 46 HA ALA 661 HA ALA 661 6.457 -7.589 0.066 47 1HB ALA 661 1HB ALA 661 7.791 -8.762 -1.717 48 2HB ALA 661 2HB ALA 661 6.503 -9.960 -1.829 49 3HB ALA 661 3HB ALA 661 7.422 -9.791 -0.334 50 H TYR 662 H TYR 662 6.342 -5.741 -1.174 51 HA TYR 662 HA TYR 662 4.723 -5.848 -3.702 52 1HB TYR 662 2HB TYR 662 4.843 -3.804 -1.468 53 2HB TYR 662 1HB TYR 662 4.072 -3.482 -3.021 54 HD1 TYR 662 1HD TYR 662 2.810 -6.042 -3.675 55 HD2 TYR 662 2HD TYR 662 3.107 -4.013 0.099 56 HE1 TYR 662 1HE TYR 662 0.755 -7.192 -2.896 57 HE2 TYR 662 2HE TYR 662 1.052 -5.162 0.879 58 HH TYR 662 HH TYR 662 -0.909 -7.096 -1.295 59 H THR 663 H THR 663 5.468 -4.438 -5.391 60 HA THR 663 HA THR 663 8.324 -3.607 -5.100 61 HB THR 663 HB THR 663 8.175 -3.645 -7.630 62 HG1 THR 663 1HG THR 663 5.713 -4.947 -7.203 63 1HG2 THR 663 1HG2 THR 663 8.032 -5.860 -5.758 64 2HG2 THR 663 2HG2 THR 663 9.015 -5.690 -7.212 65 3HG2 THR 663 3HG2 THR 663 7.368 -6.310 -7.329 66 H ALA 664 H ALA 664 8.836 -1.582 -6.516 67 HA ALA 664 HA ALA 664 7.267 0.643 -5.547 68 1HB ALA 664 1HB ALA 664 8.971 1.286 -7.781 69 2HB ALA 664 2HB ALA 664 9.782 0.117 -6.738 70 3HB ALA 664 3HB ALA 664 9.213 1.648 -6.073 71 H GLY 665 H GLY 665 5.444 1.499 -6.479 72 1HA GLY 665 2HA GLY 665 4.167 2.353 -8.334 73 2HA GLY 665 1HA GLY 665 5.096 1.317 -9.417 74 H GLN 666 H GLN 666 3.748 0.057 -6.444 75 HA GLN 666 HA GLN 666 2.114 -1.841 -8.022 76 1HB GLN 666 2HB GLN 666 3.594 -1.829 -5.604 77 2HB GLN 666 1HB GLN 666 1.908 -2.095 -5.155 78 1HG GLN 666 2HG GLN 666 2.722 -3.623 -7.523 79 2HG GLN 666 1HG GLN 666 3.638 -4.047 -6.076 80 1HE2 GLN 666 1HE2 GLN 666 2.471 -6.145 -5.998 81 2HE2 GLN 666 2HE2 GLN 666 0.871 -6.211 -5.435 82 H LEU 667 H LEU 667 -0.133 -2.335 -7.029 83 HA LEU 667 HA LEU 667 -1.484 0.182 -6.118 84 1HB LEU 667 2HB LEU 667 -1.985 -1.626 -8.453 85 2HB LEU 667 1HB LEU 667 -3.379 -0.891 -7.663 86 HG LEU 667 HG LEU 667 -1.097 0.922 -8.227 87 1HD1 LEU 667 1HD1 LEU 667 -2.242 1.167 -10.603 88 2HD1 LEU 667 2HD1 LEU 667 -2.655 -0.527 -10.339 89 3HD1 LEU 667 3HD1 LEU 667 -0.965 -0.022 -10.346 90 1HD2 LEU 667 1HD2 LEU 667 -2.952 2.027 -7.343 91 2HD2 LEU 667 2HD2 LEU 667 -4.100 0.980 -8.177 92 3HD2 LEU 667 3HD2 LEU 667 -3.234 2.228 -9.074 93 H VAL 668 H VAL 668 -2.337 -0.298 -4.120 94 HA VAL 668 HA VAL 668 -3.490 -3.043 -3.723 95 HB VAL 668 HB VAL 668 -2.581 -3.021 -1.528 96 1HG1 VAL 668 1HG1 VAL 668 -0.903 -3.178 -3.441 97 2HG1 VAL 668 2HG1 VAL 668 -0.235 -2.711 -1.877 98 3HG1 VAL 668 3HG1 VAL 668 -0.513 -1.489 -3.117 99 1HG2 VAL 668 1HG2 VAL 668 -2.651 -0.073 -1.937 100 2HG2 VAL 668 2HG2 VAL 668 -1.342 -0.692 -0.930 101 3HG2 VAL 668 3HG2 VAL 668 -3.020 -1.016 -0.494 102 H THR 669 H THR 669 -5.259 -3.068 -2.050 103 HA THR 669 HA THR 669 -6.650 -0.442 -1.730 104 HB THR 669 HB THR 669 -8.714 -2.123 -2.298 105 HG1 THR 669 1HG THR 669 -8.113 -3.658 -3.636 106 1HG2 THR 669 1HG2 THR 669 -8.818 -1.040 -4.437 107 2HG2 THR 669 2HG2 THR 669 -7.076 -0.763 -4.446 108 3HG2 THR 669 3HG2 THR 669 -8.103 0.117 -3.312 109 H TYR 670 H TYR 670 -7.147 -0.245 0.431 110 HA TYR 670 HA TYR 670 -7.210 -2.676 2.128 111 1HB TYR 670 2HB TYR 670 -7.383 0.292 2.749 112 2HB TYR 670 1HB TYR 670 -7.210 -0.988 3.948 113 HD1 TYR 670 1HD TYR 670 -5.085 -1.936 4.440 114 HD2 TYR 670 2HD TYR 670 -5.574 0.593 1.010 115 HE1 TYR 670 1HE TYR 670 -2.625 -1.890 4.125 116 HE2 TYR 670 2HE TYR 670 -3.114 0.641 0.690 117 HH TYR 670 HH TYR 670 -1.155 -0.776 1.288 118 H ASN 671 H ASN 671 -9.317 -3.311 0.974 119 HA ASN 671 HA ASN 671 -11.696 -3.312 0.816 120 1HB ASN 671 2HB ASN 671 -10.982 -2.978 3.743 121 2HB ASN 671 1HB ASN 671 -12.588 -3.449 3.185 122 1HD2 ASN 671 1HD2 ASN 671 -11.617 -5.402 4.676 123 2HD2 ASN 671 2HD2 ASN 671 -10.917 -6.659 3.774 124 H GLY 672 H GLY 672 -11.850 -1.170 -0.308 125 1HA GLY 672 2HA GLY 672 -13.507 0.650 -0.235 126 2HA GLY 672 1HA GLY 672 -13.137 0.847 1.478 127 H LYS 673 H LYS 673 -10.238 0.671 1.135 128 HA LYS 673 HA LYS 673 -9.813 3.411 0.016 129 1HB LYS 673 2HB LYS 673 -7.983 1.735 1.753 130 2HB LYS 673 1HB LYS 673 -7.939 3.481 1.516 131 1HG LYS 673 2HG LYS 673 -10.560 2.650 2.434 132 2HG LYS 673 1HG LYS 673 -9.307 2.095 3.544 133 1HD LYS 673 2HD LYS 673 -8.358 4.506 3.329 134 2HD LYS 673 1HD LYS 673 -9.955 4.912 2.700 135 1HE LYS 673 2HE LYS 673 -9.637 3.403 5.304 136 2HE LYS 673 1HE LYS 673 -9.634 5.178 5.246 137 1HZ LYS 673 1HZ LYS 673 -11.778 5.261 4.555 138 2HZ LYS 673 2HZ LYS 673 -11.873 3.785 5.391 139 3HZ LYS 673 3HZ LYS 673 -11.688 3.798 3.702 140 H THR 674 H THR 674 -7.810 3.779 -1.225 141 HA THR 674 HA THR 674 -6.676 1.335 -2.530 142 HB THR 674 HB THR 674 -7.375 3.808 -4.098 143 HG1 THR 674 1HG THR 674 -9.154 1.651 -3.699 144 1HG2 THR 674 1HG2 THR 674 -7.932 1.419 -5.481 145 2HG2 THR 674 2HG2 THR 674 -6.425 1.128 -4.613 146 3HG2 THR 674 3HG2 THR 674 -6.553 2.492 -5.723 147 H TYR 675 H TYR 675 -4.455 1.475 -2.445 148 HA TYR 675 HA TYR 675 -3.230 4.211 -2.304 149 1HB TYR 675 2HB TYR 675 -2.523 1.595 -0.949 150 2HB TYR 675 1HB TYR 675 -1.466 3.008 -0.930 151 HD1 TYR 675 1HD TYR 675 -1.808 4.748 0.630 152 HD2 TYR 675 2HD TYR 675 -4.923 1.886 -0.097 153 HE1 TYR 675 1HE TYR 675 -3.113 5.689 2.517 154 HE2 TYR 675 2HE TYR 675 -6.226 2.820 1.793 155 HH TYR 675 HH TYR 675 -5.353 5.789 3.332 156 H LYS 676 H LYS 676 -0.706 3.875 -2.812 157 HA LYS 676 HA LYS 676 -0.389 2.024 -5.137 158 1HB LYS 676 2HB LYS 676 -0.604 4.945 -5.069 159 2HB LYS 676 1HB LYS 676 0.858 4.392 -5.885 160 1HG LYS 676 2HG LYS 676 -0.374 3.893 -7.699 161 2HG LYS 676 1HG LYS 676 -1.256 2.701 -6.743 162 1HD LYS 676 2HD LYS 676 -3.002 4.157 -6.282 163 2HD LYS 676 1HD LYS 676 -1.990 5.591 -6.459 164 1HE LYS 676 2HE LYS 676 -2.314 5.696 -8.729 165 2HE LYS 676 1HE LYS 676 -2.323 3.930 -8.906 166 1HZ LYS 676 1HZ LYS 676 -4.510 3.795 -8.442 167 2HZ LYS 676 2HZ LYS 676 -4.539 5.410 -8.969 168 3HZ LYS 676 3HZ LYS 676 -4.471 5.056 -7.309 169 H CYS 677 H CYS 677 1.368 0.798 -4.512 170 HA CYS 677 HA CYS 677 3.343 1.566 -2.600 171 1HB CYS 677 2HB CYS 677 2.614 -0.662 -4.136 172 2HB CYS 677 1HB CYS 677 4.267 -0.304 -4.638 173 HG CYS 677 HG CYS 677 3.552 -1.589 -2.049 174 H LEU 678 H LEU 678 5.185 2.810 -2.830 175 HA LEU 678 HA LEU 678 5.846 3.791 -5.582 176 1HB LEU 678 2HB LEU 678 5.144 5.166 -3.356 177 2HB LEU 678 1HB LEU 678 6.893 5.111 -3.131 178 HG LEU 678 HG LEU 678 5.458 6.112 -5.609 179 1HD1 LEU 678 1HD1 LEU 678 5.459 7.532 -3.453 180 2HD1 LEU 678 2HD1 LEU 678 6.071 8.297 -4.921 181 3HD1 LEU 678 3HD1 LEU 678 7.198 7.688 -3.708 182 1HD2 LEU 678 1HD2 LEU 678 7.989 6.945 -5.906 183 2HD2 LEU 678 2HD2 LEU 678 7.459 5.370 -6.496 184 3HD2 LEU 678 3HD2 LEU 678 8.308 5.496 -4.955 185 H GLN 679 H GLN 679 7.041 1.979 -2.876 186 HA GLN 679 HA GLN 679 9.654 1.668 -4.278 187 1HB GLN 679 2HB GLN 679 9.177 3.277 -2.002 188 2HB GLN 679 1HB GLN 679 10.010 1.837 -1.414 189 1HG GLN 679 2HG GLN 679 11.955 2.417 -2.421 190 2HG GLN 679 1HG GLN 679 11.138 2.884 -3.913 191 1HE2 GLN 679 1HE2 GLN 679 12.986 4.686 -3.465 192 2HE2 GLN 679 2HE2 GLN 679 12.423 6.073 -2.665 193 HA PRO 680 HA PRO 680 9.116 -2.610 -3.359 194 1HB PRO 680 2HB PRO 680 11.903 -2.972 -2.733 195 2HB PRO 680 1HB PRO 680 11.062 -3.374 -4.234 196 1HG PRO 680 2HG PRO 680 12.912 -1.215 -3.750 197 2HG PRO 680 1HG PRO 680 12.129 -1.664 -5.267 198 1HD PRO 680 2HD PRO 680 11.585 0.641 -3.663 199 2HD PRO 680 1HD PRO 680 10.699 0.107 -5.112 200 H HIS 681 H HIS 681 8.040 -2.800 -1.376 201 HA HIS 681 HA HIS 681 9.753 -2.985 1.054 202 1HB HIS 681 2HB HIS 681 7.605 -1.011 0.429 203 2HB HIS 681 1HB HIS 681 7.657 -1.640 2.077 204 HD1 HIS 681 1HD HIS 681 10.064 -0.121 -0.467 205 HD2 HIS 681 2HD HIS 681 9.523 -0.350 3.659 206 HE1 HIS 681 1HE HIS 681 11.888 1.288 0.569 207 H THR 682 H THR 682 8.446 -3.974 2.900 208 HA THR 682 HA THR 682 6.563 -6.017 1.793 209 HB THR 682 HB THR 682 8.302 -5.884 4.277 210 HG1 THR 682 1HG THR 682 9.658 -6.549 2.822 211 1HG2 THR 682 1HG2 THR 682 7.622 -8.281 4.561 212 2HG2 THR 682 2HG2 THR 682 6.419 -8.044 3.294 213 3HG2 THR 682 3HG2 THR 682 6.297 -7.143 4.805 214 H SER 683 H SER 683 4.433 -5.837 2.353 215 HA SER 683 HA SER 683 3.537 -3.769 4.217 216 1HB SER 683 2HB SER 683 1.300 -4.745 3.548 217 2HB SER 683 1HB SER 683 2.303 -4.252 2.187 218 HG SER 683 HG SER 683 1.378 -6.707 2.864 219 H LEU 684 H LEU 684 2.605 -4.135 6.277 220 HA LEU 684 HA LEU 684 2.465 -6.933 7.276 221 1HB LEU 684 2HB LEU 684 4.047 -6.569 8.980 222 2HB LEU 684 1HB LEU 684 4.758 -5.732 7.603 223 HG LEU 684 HG LEU 684 3.136 -4.453 9.826 224 1HD1 LEU 684 1HD1 LEU 684 5.121 -3.787 10.758 225 2HD1 LEU 684 2HD1 LEU 684 5.925 -3.644 9.195 226 3HD1 LEU 684 3HD1 LEU 684 5.728 -5.229 9.944 227 1HD2 LEU 684 1HD2 LEU 684 4.307 -3.390 7.251 228 2HD2 LEU 684 2HD2 LEU 684 3.994 -2.333 8.627 229 3HD2 LEU 684 3HD2 LEU 684 2.666 -3.203 7.865 230 H ALA 685 H ALA 685 1.516 -6.916 9.584 231 HA ALA 685 HA ALA 685 -0.994 -5.545 9.605 232 1HB ALA 685 1HB ALA 685 0.685 -7.144 11.509 233 2HB ALA 685 2HB ALA 685 -0.909 -7.515 10.848 234 3HB ALA 685 3HB ALA 685 -0.742 -6.318 12.133 235 H GLY 686 H GLY 686 -0.044 -3.298 9.186 236 1HA GLY 686 2HA GLY 686 -0.260 -1.638 11.452 237 2HA GLY 686 1HA GLY 686 1.464 -1.936 11.216 238 H TRP 687 H TRP 687 1.223 -2.159 8.302 239 HA TRP 687 HA TRP 687 1.248 0.733 7.685 240 1HB TRP 687 2HB TRP 687 2.124 -1.841 6.404 241 2HB TRP 687 1HB TRP 687 1.965 -0.397 5.404 242 HD1 TRP 687 HD TRP 687 2.838 0.839 8.670 243 HE1 TRP 687 1HE TRP 687 5.368 1.286 8.889 244 HE3 TRP 687 3HE TRP 687 4.538 -1.701 4.581 245 HZ2 TRP 687 2HZ TRP 687 7.794 0.650 7.509 246 HZ3 TRP 687 3HZ TRP 687 6.958 -1.765 4.056 247 HH2 TRP 687 HH TRP 687 8.587 -0.593 5.512 248 H GLU 688 H GLU 688 -1.349 -0.432 8.268 249 HA GLU 688 HA GLU 688 -2.682 -0.807 5.660 250 1HB GLU 688 2HB GLU 688 -4.245 -0.499 8.180 251 2HB GLU 688 1HB GLU 688 -4.403 -1.694 6.901 252 1HG GLU 688 2HG GLU 688 -2.171 -2.659 7.739 253 2HG GLU 688 1HG GLU 688 -2.414 -1.663 9.175 254 HA PRO 689 HA PRO 689 -4.697 3.327 7.131 255 1HB PRO 689 2HB PRO 689 -2.916 4.562 9.023 256 2HB PRO 689 1HB PRO 689 -4.568 4.000 9.295 257 1HG PRO 689 2HG PRO 689 -2.196 2.864 10.350 258 2HG PRO 689 1HG PRO 689 -3.827 2.192 10.446 259 1HD PRO 689 2HD PRO 689 -1.572 1.324 8.781 260 2HD PRO 689 1HD PRO 689 -3.101 0.481 9.122 261 H SER 690 H SER 690 -1.509 2.600 6.300 262 HA SER 690 HA SER 690 0.012 3.658 4.837 263 1HB SER 690 2HB SER 690 -1.023 4.926 3.203 264 2HB SER 690 1HB SER 690 -2.457 4.230 3.951 265 HG SER 690 HG SER 690 -1.804 6.777 3.732 266 H ASN 691 H ASN 691 0.581 4.144 7.414 267 HA ASN 691 HA ASN 691 0.544 6.999 8.080 268 1HB ASN 691 2HB ASN 691 2.254 4.923 9.425 269 2HB ASN 691 1HB ASN 691 1.371 6.267 10.145 270 1HD2 ASN 691 1HD2 ASN 691 1.213 2.903 9.409 271 2HD2 ASN 691 2HD2 ASN 691 -0.416 2.662 9.822 272 H VAL 692 H VAL 692 2.214 5.630 5.712 273 HA VAL 692 HA VAL 692 4.633 7.310 6.232 274 HB VAL 692 HB VAL 692 5.967 5.372 5.277 275 1HG1 VAL 692 1HG1 VAL 692 6.390 4.877 7.432 276 2HG1 VAL 692 2HG1 VAL 692 4.830 4.073 7.599 277 3HG1 VAL 692 3HG1 VAL 692 4.961 5.809 7.878 278 1HG2 VAL 692 1HG2 VAL 692 3.593 3.659 5.966 279 2HG2 VAL 692 2HG2 VAL 692 4.976 3.281 4.939 280 3HG2 VAL 692 3HG2 VAL 692 3.718 4.370 4.358 281 HA PRO 693 HA PRO 693 2.736 8.120 2.071 282 1HB PRO 693 2HB PRO 693 3.849 10.761 2.339 283 2HB PRO 693 1HB PRO 693 2.147 10.289 2.376 284 1HG PRO 693 2HG PRO 693 3.779 11.168 4.568 285 2HG PRO 693 1HG PRO 693 2.078 10.695 4.602 286 1HD PRO 693 2HD PRO 693 4.333 9.248 5.664 287 2HD PRO 693 1HD PRO 693 2.619 8.763 5.680 288 H ALA 694 H ALA 694 5.861 8.196 3.483 289 HA ALA 694 HA ALA 694 7.512 9.145 1.382 290 1HB ALA 694 1HB ALA 694 8.111 6.816 3.217 291 2HB ALA 694 2HB ALA 694 8.033 8.476 3.805 292 3HB ALA 694 3HB ALA 694 9.238 8.024 2.599 293 H LEU 695 H LEU 695 6.130 5.905 1.937 294 HA LEU 695 HA LEU 695 7.014 5.181 -0.832 295 1HB LEU 695 2HB LEU 695 7.945 3.278 0.001 296 2HB LEU 695 1HB LEU 695 7.904 4.132 1.536 297 HG LEU 695 HG LEU 695 6.974 1.958 1.910 298 1HD1 LEU 695 1HD1 LEU 695 5.237 2.690 3.135 299 2HD1 LEU 695 2HD1 LEU 695 4.346 3.209 1.706 300 3HD1 LEU 695 3HD1 LEU 695 5.548 4.274 2.429 301 1HD2 LEU 695 1HD2 LEU 695 5.843 0.793 0.350 302 2HD2 LEU 695 2HD2 LEU 695 6.184 2.121 -0.759 303 3HD2 LEU 695 3HD2 LEU 695 4.666 2.089 0.138 304 H TRP 696 H TRP 696 4.385 5.619 1.276 305 HA TRP 696 HA TRP 696 2.602 3.850 -0.339 306 1HB TRP 696 2HB TRP 696 2.695 4.940 2.414 307 2HB TRP 696 1HB TRP 696 1.089 4.873 1.694 308 HD1 TRP 696 HD TRP 696 2.616 2.925 4.004 309 HE1 TRP 696 1HE TRP 696 2.308 0.387 3.699 310 HE3 TRP 696 3HE TRP 696 1.204 2.790 -0.908 311 HZ2 TRP 696 2HZ TRP 696 1.561 -1.458 1.647 312 HZ3 TRP 696 3HZ TRP 696 0.700 0.628 -2.007 313 HH2 TRP 696 HH TRP 696 0.876 -1.494 -0.738 314 H GLN 697 H GLN 697 1.888 4.997 -2.130 315 HA GLN 697 HA GLN 697 1.214 7.885 -1.818 316 1HB GLN 697 2HB GLN 697 2.672 7.313 -3.658 317 2HB GLN 697 1HB GLN 697 1.599 6.009 -4.171 318 1HG GLN 697 2HG GLN 697 -0.191 7.747 -4.554 319 2HG GLN 697 1HG GLN 697 1.030 8.982 -4.256 320 1HE2 GLN 697 1HE2 GLN 697 2.651 6.421 -5.707 321 2HE2 GLN 697 2HE2 GLN 697 2.555 6.933 -7.320 322 H LEU 698 H LEU 698 -0.842 7.710 -0.753 323 HA LEU 698 HA LEU 698 -2.917 5.904 -1.627 324 1HB LEU 698 2HB LEU 698 -2.941 6.739 0.608 325 2HB LEU 698 1HB LEU 698 -2.782 8.409 0.063 326 HG LEU 698 HG LEU 698 -5.033 8.134 -1.081 327 1HD1 LEU 698 1HD1 LEU 698 -4.623 5.456 -0.467 328 2HD1 LEU 698 2HD1 LEU 698 -6.148 6.169 -0.995 329 3HD1 LEU 698 3HD1 LEU 698 -5.815 5.970 0.726 330 1HD2 LEU 698 1HD2 LEU 698 -5.115 9.391 0.897 331 2HD2 LEU 698 2HD2 LEU 698 -4.621 8.026 1.898 332 3HD2 LEU 698 3HD2 LEU 698 -6.255 8.090 1.237 333 H GLN 699 H GLN 699 -4.866 6.467 -2.784 334 HA GLN 699 HA GLN 699 -4.521 8.795 -4.644 335 1HB GLN 699 2HB GLN 699 -5.718 7.421 -6.248 336 2HB GLN 699 1HB GLN 699 -4.442 6.433 -5.537 337 1HG GLN 699 2HG GLN 699 -5.988 4.944 -4.867 338 2HG GLN 699 1HG GLN 699 -6.728 6.190 -3.859 339 1HE2 GLN 699 1HE2 GLN 699 -7.361 4.120 -6.448 340 2HE2 GLN 699 2HE2 GLN 699 -8.693 4.938 -7.112 Start of MODEL 22 1 HA ALA 655 HA ALA 655 -7.595 -5.355 -2.061 2 1HB ALA 655 1HB ALA 655 -7.283 -8.210 -2.993 3 2HB ALA 655 2HB ALA 655 -8.766 -7.348 -2.582 4 3HB ALA 655 3HB ALA 655 -7.649 -7.837 -1.307 5 H TRP 656 H TRP 656 -5.846 -4.365 -1.035 6 HA TRP 656 HA TRP 656 -3.144 -5.224 -1.058 7 1HB TRP 656 2HB TRP 656 -3.744 -3.020 -0.333 8 2HB TRP 656 1HB TRP 656 -4.843 -3.649 0.894 9 HD1 TRP 656 HD TRP 656 -1.133 -3.174 0.141 10 HE1 TRP 656 1HE TRP 656 0.203 -3.467 2.327 11 HE3 TRP 656 3HE TRP 656 -4.862 -4.761 3.250 12 HZ2 TRP 656 2HZ TRP 656 -0.250 -4.267 5.035 13 HZ3 TRP 656 3HZ TRP 656 -4.381 -5.279 5.626 14 HH2 TRP 656 HH TRP 656 -2.082 -5.036 6.519 15 H GLN 657 H GLN 657 -2.117 -6.883 0.007 16 HA GLN 657 HA GLN 657 -3.711 -8.453 1.994 17 1HB GLN 657 2HB GLN 657 -1.252 -9.188 0.371 18 2HB GLN 657 1HB GLN 657 -2.264 -10.297 1.298 19 1HG GLN 657 2HG GLN 657 -4.067 -8.949 -0.355 20 2HG GLN 657 1HG GLN 657 -2.670 -9.245 -1.389 21 1HE2 GLN 657 1HE2 GLN 657 -2.852 -11.210 -2.460 22 2HE2 GLN 657 2HE2 GLN 657 -3.575 -12.608 -1.824 23 H VAL 658 H VAL 658 -2.839 -8.854 4.048 24 HA VAL 658 HA VAL 658 -0.711 -7.072 4.969 25 HB VAL 658 HB VAL 658 -2.717 -7.610 6.294 26 1HG1 VAL 658 1HG1 VAL 658 -2.817 -9.945 7.304 27 2HG1 VAL 658 2HG1 VAL 658 -1.613 -10.423 6.108 28 3HG1 VAL 658 3HG1 VAL 658 -3.198 -9.854 5.584 29 1HG2 VAL 658 1HG2 VAL 658 -0.076 -7.594 7.191 30 2HG2 VAL 658 2HG2 VAL 658 -0.788 -8.995 7.989 31 3HG2 VAL 658 3HG2 VAL 658 -1.512 -7.401 8.194 32 H ASN 659 H ASN 659 1.303 -7.804 5.908 33 HA ASN 659 HA ASN 659 3.268 -9.125 5.918 34 1HB ASN 659 2HB ASN 659 0.917 -10.934 6.236 35 2HB ASN 659 1HB ASN 659 2.468 -11.703 5.896 36 1HD2 ASN 659 1HD2 ASN 659 4.339 -10.420 7.314 37 2HD2 ASN 659 2HD2 ASN 659 3.950 -10.310 8.962 38 H THR 660 H THR 660 2.860 -8.115 3.441 39 HA THR 660 HA THR 660 3.519 -10.414 1.645 40 HB THR 660 HB THR 660 1.651 -8.124 0.964 41 HG1 THR 660 1HG THR 660 0.604 -9.339 2.460 42 1HG2 THR 660 1HG2 THR 660 1.582 -10.717 -0.465 43 2HG2 THR 660 2HG2 THR 660 3.030 -9.744 -0.721 44 3HG2 THR 660 3HG2 THR 660 1.442 -9.078 -1.098 45 H ALA 661 H ALA 661 4.846 -9.784 -0.178 46 HA ALA 661 HA ALA 661 6.404 -7.295 0.313 47 1HB ALA 661 1HB ALA 661 6.796 -9.852 -1.253 48 2HB ALA 661 2HB ALA 661 7.718 -9.275 0.136 49 3HB ALA 661 3HB ALA 661 7.893 -8.482 -1.429 50 H TYR 662 H TYR 662 5.935 -5.524 -0.929 51 HA TYR 662 HA TYR 662 4.572 -5.958 -3.564 52 1HB TYR 662 2HB TYR 662 4.466 -3.864 -1.410 53 2HB TYR 662 1HB TYR 662 4.017 -3.431 -3.058 54 HD1 TYR 662 1HD TYR 662 2.420 -3.900 -0.251 55 HD2 TYR 662 2HD TYR 662 2.772 -5.968 -3.999 56 HE1 TYR 662 1HE TYR 662 0.181 -4.911 0.097 57 HE2 TYR 662 2HE TYR 662 0.535 -6.981 -3.650 58 HH TYR 662 HH TYR 662 -0.919 -7.522 -1.476 59 H THR 663 H THR 663 5.130 -4.208 -5.204 60 HA THR 663 HA THR 663 8.064 -3.633 -5.096 61 HB THR 663 HB THR 663 7.446 -3.295 -7.663 62 HG1 THR 663 1HG THR 663 5.536 -3.982 -8.172 63 1HG2 THR 663 1HG2 THR 663 7.653 -5.851 -7.896 64 2HG2 THR 663 2HG2 THR 663 7.718 -5.883 -6.134 65 3HG2 THR 663 3HG2 THR 663 8.953 -5.016 -7.046 66 H ALA 664 H ALA 664 8.362 -1.599 -6.829 67 HA ALA 664 HA ALA 664 7.213 0.687 -5.402 68 1HB ALA 664 1HB ALA 664 8.711 1.081 -7.921 69 2HB ALA 664 2HB ALA 664 9.555 0.130 -6.700 70 3HB ALA 664 3HB ALA 664 9.006 1.764 -6.323 71 H GLY 665 H GLY 665 5.860 2.297 -6.353 72 1HA GLY 665 2HA GLY 665 4.049 3.030 -7.650 73 2HA GLY 665 1HA GLY 665 4.946 2.380 -9.023 74 H GLN 666 H GLN 666 3.792 0.466 -6.285 75 HA GLN 666 HA GLN 666 2.384 -1.337 -8.138 76 1HB GLN 666 2HB GLN 666 3.681 -1.438 -5.615 77 2HB GLN 666 1HB GLN 666 2.000 -1.895 -5.337 78 1HG GLN 666 2HG GLN 666 3.763 -3.092 -7.493 79 2HG GLN 666 1HG GLN 666 3.459 -3.840 -5.926 80 1HE2 GLN 666 1HE2 GLN 666 1.421 -4.881 -5.593 81 2HE2 GLN 666 2HE2 GLN 666 0.246 -5.015 -6.811 82 H LEU 667 H LEU 667 0.122 -2.119 -7.272 83 HA LEU 667 HA LEU 667 -1.484 0.249 -6.376 84 1HB LEU 667 2HB LEU 667 -1.628 -0.090 -8.806 85 2HB LEU 667 1HB LEU 667 -2.069 -1.778 -8.559 86 HG LEU 667 HG LEU 667 -3.989 -0.117 -9.003 87 1HD1 LEU 667 1HD1 LEU 667 -3.929 -2.481 -7.727 88 2HD1 LEU 667 2HD1 LEU 667 -5.411 -1.539 -7.892 89 3HD1 LEU 667 3HD1 LEU 667 -4.482 -1.468 -6.395 90 1HD2 LEU 667 1HD2 LEU 667 -4.722 1.259 -7.193 91 2HD2 LEU 667 2HD2 LEU 667 -2.989 1.557 -7.335 92 3HD2 LEU 667 3HD2 LEU 667 -3.600 0.497 -6.065 93 H VAL 668 H VAL 668 -2.421 -0.302 -4.448 94 HA VAL 668 HA VAL 668 -3.456 -3.101 -4.127 95 HB VAL 668 HB VAL 668 -2.571 -3.113 -1.901 96 1HG1 VAL 668 1HG1 VAL 668 -0.292 -1.636 -3.054 97 2HG1 VAL 668 2HG1 VAL 668 -0.939 -2.903 -4.097 98 3HG1 VAL 668 3HG1 VAL 668 -0.377 -3.299 -2.473 99 1HG2 VAL 668 1HG2 VAL 668 -3.117 -0.973 -1.054 100 2HG2 VAL 668 2HG2 VAL 668 -2.277 -0.144 -2.365 101 3HG2 VAL 668 3HG2 VAL 668 -1.354 -0.963 -1.103 102 H THR 669 H THR 669 -5.022 -3.065 -2.085 103 HA THR 669 HA THR 669 -6.581 -0.519 -2.001 104 HB THR 669 HB THR 669 -8.598 -2.251 -2.163 105 HG1 THR 669 1HG THR 669 -6.617 -3.495 -3.748 106 1HG2 THR 669 1HG2 THR 669 -8.927 -1.164 -4.104 107 2HG2 THR 669 2HG2 THR 669 -7.546 -1.970 -4.849 108 3HG2 THR 669 3HG2 THR 669 -7.308 -0.486 -3.925 109 H TYR 670 H TYR 670 -6.816 -0.033 0.158 110 HA TYR 670 HA TYR 670 -6.613 -2.224 2.155 111 1HB TYR 670 2HB TYR 670 -6.487 0.795 2.198 112 2HB TYR 670 1HB TYR 670 -6.538 -0.150 3.686 113 HD1 TYR 670 1HD TYR 670 -4.597 0.507 0.595 114 HD2 TYR 670 2HD TYR 670 -4.651 -1.446 4.420 115 HE1 TYR 670 1HE TYR 670 -2.168 0.047 0.394 116 HE2 TYR 670 2HE TYR 670 -2.221 -1.908 4.218 117 HH TYR 670 HH TYR 670 -0.220 -0.613 2.765 118 H ASN 671 H ASN 671 -8.716 -3.174 1.981 119 HA ASN 671 HA ASN 671 -11.069 -3.315 2.273 120 1HB ASN 671 2HB ASN 671 -9.765 -2.965 4.530 121 2HB ASN 671 1HB ASN 671 -10.575 -1.398 4.534 122 1HD2 ASN 671 1HD2 ASN 671 -11.912 -2.080 6.393 123 2HD2 ASN 671 2HD2 ASN 671 -13.200 -3.163 6.177 124 H GLY 672 H GLY 672 -11.726 -2.067 0.365 125 1HA GLY 672 2HA GLY 672 -13.108 -0.420 -0.586 126 2HA GLY 672 1HA GLY 672 -13.371 0.211 1.038 127 H LYS 673 H LYS 673 -10.078 0.048 0.608 128 HA LYS 673 HA LYS 673 -10.004 2.924 -0.238 129 1HB LYS 673 2HB LYS 673 -8.147 1.254 1.487 130 2HB LYS 673 1HB LYS 673 -7.923 2.966 1.126 131 1HG LYS 673 2HG LYS 673 -10.523 2.016 2.298 132 2HG LYS 673 1HG LYS 673 -9.132 2.285 3.350 133 1HD LYS 673 2HD LYS 673 -8.991 4.583 2.751 134 2HD LYS 673 1HD LYS 673 -10.067 4.367 1.370 135 1HE LYS 673 2HE LYS 673 -11.529 5.301 2.950 136 2HE LYS 673 1HE LYS 673 -11.778 3.568 3.244 137 1HZ LYS 673 1HZ LYS 673 -11.243 4.875 5.281 138 2HZ LYS 673 2HZ LYS 673 -9.711 5.197 4.621 139 3HZ LYS 673 3HZ LYS 673 -10.168 3.599 4.978 140 H THR 674 H THR 674 -8.175 3.561 -1.585 141 HA THR 674 HA THR 674 -6.964 1.287 -3.128 142 HB THR 674 HB THR 674 -8.115 3.958 -3.974 143 HG1 THR 674 1HG THR 674 -9.649 2.736 -4.696 144 1HG2 THR 674 1HG2 THR 674 -7.346 3.123 -6.308 145 2HG2 THR 674 2HG2 THR 674 -6.208 2.121 -5.409 146 3HG2 THR 674 3HG2 THR 674 -6.145 3.877 -5.260 147 H TYR 675 H TYR 675 -4.754 1.301 -2.941 148 HA TYR 675 HA TYR 675 -3.403 3.927 -2.400 149 1HB TYR 675 2HB TYR 675 -3.207 1.201 -1.174 150 2HB TYR 675 1HB TYR 675 -1.759 2.207 -1.213 151 HD1 TYR 675 1HD TYR 675 -5.321 2.127 -0.133 152 HD2 TYR 675 2HD TYR 675 -1.505 4.056 0.258 153 HE1 TYR 675 1HE TYR 675 -6.182 3.437 1.786 154 HE2 TYR 675 2HE TYR 675 -2.364 5.367 2.178 155 HH TYR 675 HH TYR 675 -5.133 4.598 3.834 156 H LYS 676 H LYS 676 -0.991 3.771 -2.985 157 HA LYS 676 HA LYS 676 -0.496 1.954 -5.304 158 1HB LYS 676 2HB LYS 676 -0.944 4.847 -5.250 159 2HB LYS 676 1HB LYS 676 0.584 4.422 -6.021 160 1HG LYS 676 2HG LYS 676 -0.551 3.841 -7.874 161 2HG LYS 676 1HG LYS 676 -1.334 2.556 -6.953 162 1HD LYS 676 2HD LYS 676 -3.273 3.724 -6.727 163 2HD LYS 676 1HD LYS 676 -2.432 5.255 -6.479 164 1HE LYS 676 2HE LYS 676 -3.696 5.278 -8.615 165 2HE LYS 676 1HE LYS 676 -1.949 5.360 -8.925 166 1HZ LYS 676 1HZ LYS 676 -1.894 2.982 -9.218 167 2HZ LYS 676 2HZ LYS 676 -3.050 3.641 -10.274 168 3HZ LYS 676 3HZ LYS 676 -3.545 2.852 -8.853 169 H CYS 677 H CYS 677 1.210 0.818 -4.339 170 HA CYS 677 HA CYS 677 3.112 1.743 -2.491 171 1HB CYS 677 2HB CYS 677 2.590 -0.533 -4.043 172 2HB CYS 677 1HB CYS 677 4.233 -0.065 -4.482 173 HG CYS 677 HG CYS 677 4.305 -1.578 -2.309 174 H LEU 678 H LEU 678 5.189 2.702 -2.718 175 HA LEU 678 HA LEU 678 5.745 3.937 -5.397 176 1HB LEU 678 2HB LEU 678 4.981 5.328 -3.327 177 2HB LEU 678 1HB LEU 678 6.615 5.037 -2.727 178 HG LEU 678 HG LEU 678 7.083 5.797 -5.333 179 1HD1 LEU 678 1HD1 LEU 678 5.592 7.388 -6.051 180 2HD1 LEU 678 2HD1 LEU 678 5.192 7.902 -4.412 181 3HD1 LEU 678 3HD1 LEU 678 4.473 6.435 -5.078 182 1HD2 LEU 678 1HD2 LEU 678 8.139 6.531 -3.117 183 2HD2 LEU 678 2HD2 LEU 678 6.864 7.747 -3.028 184 3HD2 LEU 678 3HD2 LEU 678 8.016 7.772 -4.364 185 H GLN 679 H GLN 679 6.864 1.755 -3.051 186 HA GLN 679 HA GLN 679 9.457 1.511 -4.418 187 1HB GLN 679 2HB GLN 679 9.044 2.853 -1.801 188 2HB GLN 679 1HB GLN 679 10.401 1.728 -1.880 189 1HG GLN 679 2HG GLN 679 11.615 3.203 -3.068 190 2HG GLN 679 1HG GLN 679 10.336 3.332 -4.275 191 1HE2 GLN 679 1HE2 GLN 679 10.181 4.249 -0.805 192 2HE2 GLN 679 2HE2 GLN 679 9.849 5.887 -1.096 193 HA PRO 680 HA PRO 680 8.978 -2.714 -3.291 194 1HB PRO 680 2HB PRO 680 11.770 -3.066 -2.688 195 2HB PRO 680 1HB PRO 680 10.910 -3.513 -4.165 196 1HG PRO 680 2HG PRO 680 12.790 -1.373 -3.795 197 2HG PRO 680 1HG PRO 680 11.940 -1.829 -5.274 198 1HD PRO 680 2HD PRO 680 11.494 0.495 -3.637 199 2HD PRO 680 1HD PRO 680 10.605 0.010 -5.101 200 H HIS 681 H HIS 681 8.063 -3.183 -1.301 201 HA HIS 681 HA HIS 681 9.791 -3.193 1.091 202 1HB HIS 681 2HB HIS 681 7.422 -1.352 0.692 203 2HB HIS 681 1HB HIS 681 8.057 -1.738 2.292 204 HD1 HIS 681 1HD HIS 681 11.036 -1.670 1.880 205 HD2 HIS 681 2HD HIS 681 8.502 1.131 0.118 206 HE1 HIS 681 1HE HIS 681 12.475 0.327 1.294 207 H THR 682 H THR 682 8.305 -3.917 3.056 208 HA THR 682 HA THR 682 6.446 -6.032 2.020 209 HB THR 682 HB THR 682 8.330 -5.894 4.390 210 HG1 THR 682 1HG THR 682 9.265 -7.652 3.295 211 1HG2 THR 682 1HG2 THR 682 6.215 -7.935 3.675 212 2HG2 THR 682 2HG2 THR 682 6.375 -7.034 5.183 213 3HG2 THR 682 3HG2 THR 682 7.553 -8.280 4.772 214 H SER 683 H SER 683 4.338 -5.651 2.559 215 HA SER 683 HA SER 683 3.601 -3.648 4.561 216 1HB SER 683 2HB SER 683 1.763 -5.635 3.238 217 2HB SER 683 1HB SER 683 1.444 -3.956 3.659 218 HG SER 683 HG SER 683 1.835 -3.913 1.517 219 H LEU 684 H LEU 684 2.713 -4.075 6.617 220 HA LEU 684 HA LEU 684 2.234 -6.892 7.410 221 1HB LEU 684 2HB LEU 684 3.979 -6.977 8.947 222 2HB LEU 684 1HB LEU 684 4.710 -5.981 7.691 223 HG LEU 684 HG LEU 684 3.426 -5.028 10.266 224 1HD1 LEU 684 1HD1 LEU 684 5.977 -5.887 9.807 225 2HD1 LEU 684 2HD1 LEU 684 5.547 -4.687 11.025 226 3HD1 LEU 684 3HD1 LEU 684 6.133 -4.169 9.443 227 1HD2 LEU 684 1HD2 LEU 684 4.405 -2.772 9.260 228 2HD2 LEU 684 2HD2 LEU 684 2.784 -3.316 8.833 229 3HD2 LEU 684 3HD2 LEU 684 4.128 -3.598 7.727 230 H ALA 685 H ALA 685 1.682 -6.751 9.969 231 HA ALA 685 HA ALA 685 -0.757 -5.304 10.217 232 1HB ALA 685 1HB ALA 685 0.837 -7.162 11.660 233 2HB ALA 685 2HB ALA 685 -0.836 -6.711 11.983 234 3HB ALA 685 3HB ALA 685 0.480 -5.835 12.764 235 H GLY 686 H GLY 686 -0.165 -3.079 9.592 236 1HA GLY 686 2HA GLY 686 0.014 -1.200 11.574 237 2HA GLY 686 1HA GLY 686 1.709 -1.593 11.284 238 H TRP 687 H TRP 687 1.425 -2.072 8.440 239 HA TRP 687 HA TRP 687 1.477 0.730 7.533 240 1HB TRP 687 2HB TRP 687 2.128 -1.987 6.393 241 2HB TRP 687 1HB TRP 687 2.104 -0.557 5.361 242 HD1 TRP 687 HD TRP 687 3.102 0.587 8.639 243 HE1 TRP 687 1HE TRP 687 5.661 0.821 8.835 244 HE3 TRP 687 3HE TRP 687 4.544 -2.017 4.490 245 HZ2 TRP 687 2HZ TRP 687 8.008 0.012 7.420 246 HZ3 TRP 687 3HZ TRP 687 6.946 -2.269 3.939 247 HH2 TRP 687 HH TRP 687 8.679 -1.258 5.396 248 H GLU 688 H GLU 688 -1.167 -0.472 8.292 249 HA GLU 688 HA GLU 688 -2.538 -0.837 5.705 250 1HB GLU 688 2HB GLU 688 -4.068 -0.548 8.249 251 2HB GLU 688 1HB GLU 688 -4.241 -1.731 6.961 252 1HG GLU 688 2HG GLU 688 -1.833 -2.494 7.851 253 2HG GLU 688 1HG GLU 688 -2.451 -1.788 9.345 254 HA PRO 689 HA PRO 689 -4.523 3.301 7.195 255 1HB PRO 689 2HB PRO 689 -2.739 4.513 9.098 256 2HB PRO 689 1HB PRO 689 -4.394 3.958 9.364 257 1HG PRO 689 2HG PRO 689 -2.035 2.804 10.419 258 2HG PRO 689 1HG PRO 689 -3.667 2.137 10.503 259 1HD PRO 689 2HD PRO 689 -1.407 1.277 8.837 260 2HD PRO 689 1HD PRO 689 -2.935 0.432 9.173 261 H SER 690 H SER 690 -1.308 2.566 6.440 262 HA SER 690 HA SER 690 0.206 3.583 4.941 263 1HB SER 690 2HB SER 690 -0.787 4.907 3.329 264 2HB SER 690 1HB SER 690 -2.241 4.248 4.070 265 HG SER 690 HG SER 690 -1.052 6.782 4.359 266 H ASN 691 H ASN 691 0.962 4.002 7.420 267 HA ASN 691 HA ASN 691 0.966 6.826 8.219 268 1HB ASN 691 2HB ASN 691 2.518 4.412 9.210 269 2HB ASN 691 1HB ASN 691 2.321 5.937 10.072 270 1HD2 ASN 691 1HD2 ASN 691 1.324 3.060 10.650 271 2HD2 ASN 691 2HD2 ASN 691 -0.331 3.266 10.956 272 H VAL 692 H VAL 692 2.640 5.191 5.847 273 HA VAL 692 HA VAL 692 5.011 7.013 6.137 274 HB VAL 692 HB VAL 692 6.223 5.048 4.999 275 1HG1 VAL 692 1HG1 VAL 692 5.034 4.661 7.764 276 2HG1 VAL 692 2HG1 VAL 692 6.488 5.585 7.389 277 3HG1 VAL 692 3HG1 VAL 692 6.467 3.838 7.146 278 1HG2 VAL 692 1HG2 VAL 692 3.701 3.635 5.928 279 2HG2 VAL 692 2HG2 VAL 692 5.138 2.851 5.273 280 3HG2 VAL 692 3HG2 VAL 692 4.159 3.899 4.246 281 HA PRO 693 HA PRO 693 2.784 7.854 2.144 282 1HB PRO 693 2HB PRO 693 3.969 10.469 2.311 283 2HB PRO 693 1HB PRO 693 2.268 10.032 2.497 284 1HG PRO 693 2HG PRO 693 4.123 10.854 4.542 285 2HG PRO 693 1HG PRO 693 2.408 10.468 4.715 286 1HD PRO 693 2HD PRO 693 4.644 8.919 5.631 287 2HD PRO 693 1HD PRO 693 2.920 8.483 5.716 288 H ALA 694 H ALA 694 6.083 8.334 3.272 289 HA ALA 694 HA ALA 694 7.456 9.053 0.941 290 1HB ALA 694 1HB ALA 694 9.241 8.554 2.262 291 2HB ALA 694 2HB ALA 694 8.705 6.892 2.501 292 3HB ALA 694 3HB ALA 694 8.039 8.185 3.498 293 H LEU 695 H LEU 695 6.314 5.810 1.897 294 HA LEU 695 HA LEU 695 6.985 4.894 -0.875 295 1HB LEU 695 2HB LEU 695 8.027 3.093 0.035 296 2HB LEU 695 1HB LEU 695 8.056 4.057 1.501 297 HG LEU 695 HG LEU 695 7.220 1.896 2.096 298 1HD1 LEU 695 1HD1 LEU 695 5.575 4.233 2.296 299 2HD1 LEU 695 2HD1 LEU 695 5.734 2.897 3.431 300 3HD1 LEU 695 3HD1 LEU 695 4.546 2.816 2.133 301 1HD2 LEU 695 1HD2 LEU 695 5.997 0.583 0.727 302 2HD2 LEU 695 2HD2 LEU 695 6.291 1.799 -0.517 303 3HD2 LEU 695 3HD2 LEU 695 4.811 1.857 0.441 304 H TRP 696 H TRP 696 4.460 5.420 1.364 305 HA TRP 696 HA TRP 696 2.657 3.537 -0.118 306 1HB TRP 696 2HB TRP 696 2.931 4.490 2.663 307 2HB TRP 696 1HB TRP 696 1.270 4.442 2.075 308 HD1 TRP 696 HD TRP 696 3.036 2.374 4.119 309 HE1 TRP 696 1HE TRP 696 2.723 -0.144 3.677 310 HE3 TRP 696 3HE TRP 696 1.153 2.540 -0.626 311 HZ2 TRP 696 2HZ TRP 696 1.792 -1.863 1.589 312 HZ3 TRP 696 3HZ TRP 696 0.560 0.449 -1.815 313 HH2 TRP 696 HH TRP 696 0.876 -1.750 -0.713 314 H GLN 697 H GLN 697 1.725 4.684 -1.793 315 HA GLN 697 HA GLN 697 0.955 7.531 -1.345 316 1HB GLN 697 2HB GLN 697 2.329 6.769 -3.318 317 2HB GLN 697 1HB GLN 697 0.938 5.829 -3.860 318 1HG GLN 697 2HG GLN 697 0.523 7.771 -5.027 319 2HG GLN 697 1HG GLN 697 -0.290 8.184 -3.517 320 1HE2 GLN 697 1HE2 GLN 697 0.814 10.203 -5.243 321 2HE2 GLN 697 2HE2 GLN 697 2.107 10.942 -4.431 322 H LEU 698 H LEU 698 -1.255 8.194 -1.921 323 HA LEU 698 HA LEU 698 -3.235 5.939 -1.869 324 1HB LEU 698 2HB LEU 698 -3.156 6.928 0.315 325 2HB LEU 698 1HB LEU 698 -3.124 8.558 -0.355 326 HG LEU 698 HG LEU 698 -5.415 8.036 -1.367 327 1HD1 LEU 698 1HD1 LEU 698 -6.520 6.099 -0.841 328 2HD1 LEU 698 2HD1 LEU 698 -5.792 6.000 0.762 329 3HD1 LEU 698 3HD1 LEU 698 -4.879 5.478 -0.654 330 1HD2 LEU 698 1HD2 LEU 698 -6.389 9.013 0.466 331 2HD2 LEU 698 2HD2 LEU 698 -4.712 9.167 0.993 332 3HD2 LEU 698 3HD2 LEU 698 -5.703 7.834 1.585 333 H GLN 699 H GLN 699 -5.231 6.386 -2.993 334 HA GLN 699 HA GLN 699 -5.412 8.907 -4.553 335 1HB GLN 699 2HB GLN 699 -5.096 6.116 -5.693 336 2HB GLN 699 1HB GLN 699 -5.663 7.485 -6.650 337 1HG GLN 699 2HG GLN 699 -3.464 8.598 -5.553 338 2HG GLN 699 1HG GLN 699 -2.947 6.913 -5.590 339 1HE2 GLN 699 1HE2 GLN 699 -1.460 8.347 -7.266 340 2HE2 GLN 699 2HE2 GLN 699 -1.967 8.219 -8.882 Start of MODEL 23 1 HA ALA 655 HA ALA 655 -5.856 -4.870 -3.753 2 1HB ALA 655 1HB ALA 655 -7.111 -6.421 -1.499 3 2HB ALA 655 2HB ALA 655 -8.000 -6.192 -3.004 4 3HB ALA 655 3HB ALA 655 -7.485 -4.793 -2.063 5 H TRP 656 H TRP 656 -5.490 -4.387 -1.034 6 HA TRP 656 HA TRP 656 -2.661 -4.973 -0.699 7 1HB TRP 656 2HB TRP 656 -3.791 -2.872 -0.018 8 2HB TRP 656 1HB TRP 656 -4.736 -3.774 1.167 9 HD1 TRP 656 HD TRP 656 -1.171 -2.613 0.425 10 HE1 TRP 656 1HE TRP 656 0.216 -2.760 2.592 11 HE3 TRP 656 3HE TRP 656 -4.541 -4.942 3.473 12 HZ2 TRP 656 2HZ TRP 656 -0.066 -3.737 5.266 13 HZ3 TRP 656 3HZ TRP 656 -3.955 -5.469 5.823 14 HH2 TRP 656 HH TRP 656 -1.725 -4.870 6.723 15 H GLN 657 H GLN 657 -1.718 -6.468 0.717 16 HA GLN 657 HA GLN 657 -3.537 -8.114 2.428 17 1HB GLN 657 2HB GLN 657 -1.860 -8.886 0.091 18 2HB GLN 657 1HB GLN 657 -1.851 -9.993 1.463 19 1HG GLN 657 2HG GLN 657 -4.431 -9.772 1.401 20 2HG GLN 657 1HG GLN 657 -4.195 -9.108 -0.216 21 1HE2 GLN 657 1HE2 GLN 657 -5.414 -11.185 -0.856 22 2HE2 GLN 657 2HE2 GLN 657 -4.498 -12.598 -1.068 23 H VAL 658 H VAL 658 -2.582 -8.703 4.383 24 HA VAL 658 HA VAL 658 -0.153 -7.368 5.211 25 HB VAL 658 HB VAL 658 -0.599 -8.594 7.307 26 1HG1 VAL 658 1HG1 VAL 658 -2.027 -6.803 7.350 27 2HG1 VAL 658 2HG1 VAL 658 -3.249 -8.070 7.236 28 3HG1 VAL 658 3HG1 VAL 658 -2.740 -7.201 5.787 29 1HG2 VAL 658 1HG2 VAL 658 -1.221 -10.763 6.796 30 2HG2 VAL 658 2HG2 VAL 658 -2.216 -10.267 5.428 31 3HG2 VAL 658 3HG2 VAL 658 -2.815 -10.063 7.074 32 H ASN 659 H ASN 659 1.757 -8.591 6.109 33 HA ASN 659 HA ASN 659 3.578 -10.046 5.677 34 1HB ASN 659 2HB ASN 659 2.106 -11.508 6.940 35 2HB ASN 659 1HB ASN 659 1.139 -11.844 5.503 36 1HD2 ASN 659 1HD2 ASN 659 1.583 -14.085 5.243 37 2HD2 ASN 659 2HD2 ASN 659 3.143 -14.707 4.996 38 H THR 660 H THR 660 2.804 -8.566 3.402 39 HA THR 660 HA THR 660 3.378 -10.549 1.235 40 HB THR 660 HB THR 660 1.230 -8.414 1.347 41 HG1 THR 660 1HG THR 660 0.068 -10.436 0.643 42 1HG2 THR 660 1HG2 THR 660 2.350 -9.972 -0.985 43 2HG2 THR 660 2HG2 THR 660 2.140 -8.227 -0.843 44 3HG2 THR 660 3HG2 THR 660 0.731 -9.274 -1.012 45 H ALA 661 H ALA 661 5.206 -9.875 0.197 46 HA ALA 661 HA ALA 661 6.307 -7.209 0.581 47 1HB ALA 661 1HB ALA 661 7.707 -9.190 0.358 48 2HB ALA 661 2HB ALA 661 8.022 -8.130 -1.014 49 3HB ALA 661 3HB ALA 661 7.001 -9.554 -1.217 50 H TYR 662 H TYR 662 6.152 -5.456 -0.810 51 HA TYR 662 HA TYR 662 4.661 -5.881 -3.381 52 1HB TYR 662 2HB TYR 662 4.515 -3.822 -1.195 53 2HB TYR 662 1HB TYR 662 4.038 -3.377 -2.833 54 HD1 TYR 662 1HD TYR 662 2.641 -5.487 -3.997 55 HD2 TYR 662 2HD TYR 662 2.719 -4.414 0.161 56 HE1 TYR 662 1HE TYR 662 0.452 -6.605 -3.669 57 HE2 TYR 662 2HE TYR 662 0.529 -5.532 0.490 58 HH TYR 662 HH TYR 662 -1.030 -7.330 -2.141 59 H THR 663 H THR 663 5.228 -4.244 -5.074 60 HA THR 663 HA THR 663 8.123 -3.501 -4.902 61 HB THR 663 HB THR 663 7.763 -3.411 -7.456 62 HG1 THR 663 1HG THR 663 5.914 -4.370 -8.190 63 1HG2 THR 663 1HG2 THR 663 8.882 -5.284 -6.320 64 2HG2 THR 663 2HG2 THR 663 7.875 -5.871 -7.643 65 3HG2 THR 663 3HG2 THR 663 7.315 -6.018 -5.976 66 H ALA 664 H ALA 664 8.346 -1.571 -6.775 67 HA ALA 664 HA ALA 664 7.030 0.737 -5.522 68 1HB ALA 664 1HB ALA 664 8.454 1.735 -7.587 69 2HB ALA 664 2HB ALA 664 9.220 0.153 -7.453 70 3HB ALA 664 3HB ALA 664 9.208 1.245 -6.069 71 H GLY 665 H GLY 665 5.755 2.296 -6.776 72 1HA GLY 665 2HA GLY 665 3.992 2.830 -8.229 73 2HA GLY 665 1HA GLY 665 4.926 1.974 -9.458 74 H GLN 666 H GLN 666 3.977 0.222 -6.615 75 HA GLN 666 HA GLN 666 2.417 -1.651 -8.234 76 1HB GLN 666 2HB GLN 666 3.960 -2.217 -6.321 77 2HB GLN 666 1HB GLN 666 2.795 -1.465 -5.229 78 1HG GLN 666 2HG GLN 666 2.557 -3.976 -5.451 79 2HG GLN 666 1HG GLN 666 1.093 -3.063 -5.821 80 1HE2 GLN 666 1HE2 GLN 666 3.974 -4.451 -7.493 81 2HE2 GLN 666 2HE2 GLN 666 3.142 -4.832 -8.922 82 H LEU 667 H LEU 667 0.180 -2.331 -7.333 83 HA LEU 667 HA LEU 667 -1.355 0.089 -6.446 84 1HB LEU 667 2HB LEU 667 -1.378 -1.084 -8.939 85 2HB LEU 667 1HB LEU 667 -2.741 -1.878 -8.147 86 HG LEU 667 HG LEU 667 -2.352 1.123 -8.111 87 1HD1 LEU 667 1HD1 LEU 667 -3.883 -0.627 -10.054 88 2HD1 LEU 667 2HD1 LEU 667 -2.607 0.530 -10.431 89 3HD1 LEU 667 3HD1 LEU 667 -4.177 1.103 -9.870 90 1HD2 LEU 667 1HD2 LEU 667 -5.036 0.535 -7.913 91 2HD2 LEU 667 2HD2 LEU 667 -3.974 0.843 -6.540 92 3HD2 LEU 667 3HD2 LEU 667 -4.302 -0.813 -7.046 93 H VAL 668 H VAL 668 -2.491 -0.309 -4.591 94 HA VAL 668 HA VAL 668 -3.459 -3.088 -4.062 95 HB VAL 668 HB VAL 668 -2.454 -3.101 -1.913 96 1HG1 VAL 668 1HG1 VAL 668 -0.478 -1.594 -3.650 97 2HG1 VAL 668 2HG1 VAL 668 -0.823 -3.317 -3.807 98 3HG1 VAL 668 3HG1 VAL 668 -0.096 -2.693 -2.325 99 1HG2 VAL 668 1HG2 VAL 668 -3.167 -0.814 -1.271 100 2HG2 VAL 668 2HG2 VAL 668 -1.896 -0.138 -2.290 101 3HG2 VAL 668 3HG2 VAL 668 -1.473 -1.094 -0.869 102 H THR 669 H THR 669 -5.190 -3.077 -2.353 103 HA THR 669 HA THR 669 -6.460 -0.409 -1.949 104 HB THR 669 HB THR 669 -8.648 -1.712 -2.544 105 HG1 THR 669 1HG THR 669 -7.778 -3.243 -4.339 106 1HG2 THR 669 1HG2 THR 669 -7.422 0.106 -3.880 107 2HG2 THR 669 2HG2 THR 669 -8.488 -0.964 -4.789 108 3HG2 THR 669 3HG2 THR 669 -6.743 -1.214 -4.830 109 H TYR 670 H TYR 670 -6.796 -0.231 0.239 110 HA TYR 670 HA TYR 670 -6.783 -2.605 1.959 111 1HB TYR 670 2HB TYR 670 -7.176 0.370 2.376 112 2HB TYR 670 1HB TYR 670 -7.155 -0.788 3.706 113 HD1 TYR 670 1HD TYR 670 -5.154 0.506 0.836 114 HD2 TYR 670 2HD TYR 670 -5.109 -1.636 4.560 115 HE1 TYR 670 1HE TYR 670 -2.675 0.541 0.828 116 HE2 TYR 670 2HE TYR 670 -2.630 -1.600 4.550 117 HH TYR 670 HH TYR 670 -0.814 -0.385 3.585 118 H ASN 671 H ASN 671 -8.705 -3.757 1.277 119 HA ASN 671 HA ASN 671 -10.983 -4.345 1.516 120 1HB ASN 671 2HB ASN 671 -11.158 -1.884 3.271 121 2HB ASN 671 1HB ASN 671 -12.085 -3.378 3.401 122 1HD2 ASN 671 1HD2 ASN 671 -10.400 -5.416 3.553 123 2HD2 ASN 671 2HD2 ASN 671 -9.191 -5.205 4.724 124 H GLY 672 H GLY 672 -11.114 -0.781 1.778 125 1HA GLY 672 2HA GLY 672 -12.471 -0.695 -0.874 126 2HA GLY 672 1HA GLY 672 -13.243 0.071 0.518 127 H LYS 673 H LYS 673 -9.852 0.177 0.651 128 HA LYS 673 HA LYS 673 -9.896 3.082 -0.021 129 1HB LYS 673 2HB LYS 673 -8.696 1.351 1.955 130 2HB LYS 673 1HB LYS 673 -7.434 2.235 1.100 131 1HG LYS 673 2HG LYS 673 -9.877 3.475 2.407 132 2HG LYS 673 1HG LYS 673 -8.236 3.512 3.056 133 1HD LYS 673 2HD LYS 673 -7.530 4.634 0.884 134 2HD LYS 673 1HD LYS 673 -9.246 4.813 0.516 135 1HE LYS 673 2HE LYS 673 -8.268 6.845 1.635 136 2HE LYS 673 1HE LYS 673 -9.578 6.110 2.582 137 1HZ LYS 673 1HZ LYS 673 -7.151 6.582 3.578 138 2HZ LYS 673 2HZ LYS 673 -6.928 4.999 3.003 139 3HZ LYS 673 3HZ LYS 673 -8.156 5.332 4.128 140 H THR 674 H THR 674 -8.409 3.927 -1.545 141 HA THR 674 HA THR 674 -7.199 1.924 -3.398 142 HB THR 674 HB THR 674 -7.277 4.886 -3.871 143 HG1 THR 674 1HG THR 674 -9.465 3.164 -3.574 144 1HG2 THR 674 1HG2 THR 674 -6.551 2.775 -5.408 145 2HG2 THR 674 2HG2 THR 674 -7.195 4.276 -6.073 146 3HG2 THR 674 3HG2 THR 674 -8.258 2.890 -5.833 147 H TYR 675 H TYR 675 -4.964 1.703 -3.463 148 HA TYR 675 HA TYR 675 -3.278 3.910 -2.380 149 1HB TYR 675 2HB TYR 675 -3.673 1.146 -1.309 150 2HB TYR 675 1HB TYR 675 -2.061 1.856 -1.196 151 HD1 TYR 675 1HD TYR 675 -5.576 2.139 -0.128 152 HD2 TYR 675 2HD TYR 675 -1.639 3.831 0.165 153 HE1 TYR 675 1HE TYR 675 -6.306 3.504 1.810 154 HE2 TYR 675 2HE TYR 675 -2.370 5.194 2.101 155 HH TYR 675 HH TYR 675 -5.091 4.600 3.847 156 H LYS 676 H LYS 676 -1.035 3.728 -3.029 157 HA LYS 676 HA LYS 676 -0.439 1.710 -5.148 158 1HB LYS 676 2HB LYS 676 -0.925 4.582 -5.393 159 2HB LYS 676 1HB LYS 676 0.656 4.126 -6.031 160 1HG LYS 676 2HG LYS 676 -0.470 3.535 -7.908 161 2HG LYS 676 1HG LYS 676 -0.969 2.113 -6.991 162 1HD LYS 676 2HD LYS 676 -3.108 2.821 -6.890 163 2HD LYS 676 1HD LYS 676 -2.616 4.428 -6.352 164 1HE LYS 676 2HE LYS 676 -2.283 3.608 -9.242 165 2HE LYS 676 1HE LYS 676 -3.818 4.272 -8.646 166 1HZ LYS 676 1HZ LYS 676 -1.140 5.528 -8.618 167 2HZ LYS 676 2HZ LYS 676 -2.371 6.050 -7.569 168 3HZ LYS 676 3HZ LYS 676 -2.587 6.146 -9.251 169 H CYS 677 H CYS 677 1.445 0.745 -4.492 170 HA CYS 677 HA CYS 677 3.185 1.872 -2.479 171 1HB CYS 677 2HB CYS 677 2.641 -0.591 -3.463 172 2HB CYS 677 1HB CYS 677 4.145 -0.257 -4.321 173 HG CYS 677 HG CYS 677 4.731 0.455 -1.541 174 H LEU 678 H LEU 678 5.204 2.878 -2.737 175 HA LEU 678 HA LEU 678 5.866 3.779 -5.516 176 1HB LEU 678 2HB LEU 678 5.842 4.957 -2.813 177 2HB LEU 678 1HB LEU 678 7.292 5.339 -3.745 178 HG LEU 678 HG LEU 678 5.758 5.991 -5.660 179 1HD1 LEU 678 1HD1 LEU 678 3.416 6.485 -5.074 180 2HD1 LEU 678 2HD1 LEU 678 3.681 5.846 -3.452 181 3HD1 LEU 678 3HD1 LEU 678 3.764 4.771 -4.847 182 1HD2 LEU 678 1HD2 LEU 678 6.800 7.516 -3.778 183 2HD2 LEU 678 2HD2 LEU 678 5.124 7.670 -3.249 184 3HD2 LEU 678 3HD2 LEU 678 5.588 8.184 -4.871 185 H GLN 679 H GLN 679 7.152 2.232 -2.610 186 HA GLN 679 HA GLN 679 9.651 1.600 -4.144 187 1HB GLN 679 2HB GLN 679 9.179 2.920 -1.557 188 2HB GLN 679 1HB GLN 679 10.358 1.611 -1.469 189 1HG GLN 679 2HG GLN 679 11.888 2.733 -2.727 190 2HG GLN 679 1HG GLN 679 10.659 3.393 -3.807 191 1HE2 GLN 679 1HE2 GLN 679 9.011 4.777 -1.988 192 2HE2 GLN 679 2HE2 GLN 679 9.900 6.025 -1.257 193 HA PRO 680 HA PRO 680 8.573 -2.618 -3.302 194 1HB PRO 680 2HB PRO 680 11.341 -3.385 -3.167 195 2HB PRO 680 1HB PRO 680 10.219 -3.592 -4.514 196 1HG PRO 680 2HG PRO 680 12.421 -1.760 -4.320 197 2HG PRO 680 1HG PRO 680 11.302 -1.976 -5.668 198 1HD PRO 680 2HD PRO 680 11.447 0.244 -3.837 199 2HD PRO 680 1HD PRO 680 10.296 0.009 -5.176 200 H HIS 681 H HIS 681 7.830 -2.823 -1.181 201 HA HIS 681 HA HIS 681 9.908 -3.217 0.930 202 1HB HIS 681 2HB HIS 681 7.481 -1.406 0.958 203 2HB HIS 681 1HB HIS 681 8.325 -1.883 2.432 204 HD1 HIS 681 1HD HIS 681 11.197 -1.855 0.932 205 HD2 HIS 681 2HD HIS 681 8.460 1.283 1.143 206 HE1 HIS 681 1HE HIS 681 12.513 0.269 0.536 207 H THR 682 H THR 682 7.984 -3.614 3.025 208 HA THR 682 HA THR 682 6.537 -6.045 2.019 209 HB THR 682 HB THR 682 7.785 -5.682 4.749 210 HG1 THR 682 1HG THR 682 9.389 -5.472 3.158 211 1HG2 THR 682 1HG2 THR 682 7.898 -8.297 4.269 212 2HG2 THR 682 2HG2 THR 682 6.572 -7.912 3.173 213 3HG2 THR 682 3HG2 THR 682 6.429 -7.547 4.893 214 H SER 683 H SER 683 4.393 -6.163 2.588 215 HA SER 683 HA SER 683 3.239 -3.973 4.215 216 1HB SER 683 2HB SER 683 2.458 -5.778 2.077 217 2HB SER 683 1HB SER 683 1.269 -5.807 3.376 218 HG SER 683 HG SER 683 2.240 -3.582 1.913 219 H LEU 684 H LEU 684 2.319 -4.321 6.258 220 HA LEU 684 HA LEU 684 1.913 -7.071 7.248 221 1HB LEU 684 2HB LEU 684 3.613 -6.984 8.894 222 2HB LEU 684 1HB LEU 684 4.384 -6.308 7.460 223 HG LEU 684 HG LEU 684 3.180 -4.759 9.772 224 1HD1 LEU 684 1HD1 LEU 684 5.323 -4.385 10.479 225 2HD1 LEU 684 2HD1 LEU 684 5.969 -4.358 8.838 226 3HD1 LEU 684 3HD1 LEU 684 5.635 -5.898 9.630 227 1HD2 LEU 684 1HD2 LEU 684 2.682 -3.444 7.875 228 2HD2 LEU 684 2HD2 LEU 684 4.166 -3.917 7.048 229 3HD2 LEU 684 3HD2 LEU 684 4.234 -2.807 8.417 230 H ALA 685 H ALA 685 1.308 -6.835 9.750 231 HA ALA 685 HA ALA 685 -1.036 -5.187 9.914 232 1HB ALA 685 1HB ALA 685 -0.179 -5.889 12.507 233 2HB ALA 685 2HB ALA 685 0.424 -7.168 11.452 234 3HB ALA 685 3HB ALA 685 -1.298 -6.792 11.486 235 H GLY 686 H GLY 686 0.245 -3.141 9.232 236 1HA GLY 686 2HA GLY 686 0.458 -1.367 11.459 237 2HA GLY 686 1HA GLY 686 2.083 -1.843 10.958 238 H TRP 687 H TRP 687 1.366 -2.133 8.135 239 HA TRP 687 HA TRP 687 1.536 0.722 7.382 240 1HB TRP 687 2HB TRP 687 1.807 -1.942 5.971 241 2HB TRP 687 1HB TRP 687 1.893 -0.408 5.105 242 HD1 TRP 687 HD TRP 687 3.263 -0.150 8.536 243 HE1 TRP 687 1HE TRP 687 5.839 -0.108 8.474 244 HE3 TRP 687 3HE TRP 687 4.049 -1.538 3.686 245 HZ2 TRP 687 2HZ TRP 687 7.955 -0.598 6.612 246 HZ3 TRP 687 3HZ TRP 687 6.352 -1.742 2.795 247 HH2 TRP 687 HH TRP 687 8.306 -1.274 4.250 248 H GLU 688 H GLU 688 -1.023 -0.203 8.427 249 HA GLU 688 HA GLU 688 -2.778 -0.496 6.066 250 1HB GLU 688 2HB GLU 688 -3.914 -0.118 8.791 251 2HB GLU 688 1HB GLU 688 -4.318 -1.305 7.561 252 1HG GLU 688 2HG GLU 688 -2.023 -2.365 8.068 253 2HG GLU 688 1HG GLU 688 -2.025 -1.368 9.524 254 HA PRO 689 HA PRO 689 -4.287 3.735 7.825 255 1HB PRO 689 2HB PRO 689 -2.176 4.846 9.431 256 2HB PRO 689 1HB PRO 689 -3.796 4.370 9.951 257 1HG PRO 689 2HG PRO 689 -1.354 3.097 10.625 258 2HG PRO 689 1HG PRO 689 -2.987 2.518 10.974 259 1HD PRO 689 2HD PRO 689 -1.069 1.541 8.979 260 2HD PRO 689 1HD PRO 689 -2.574 0.781 9.551 261 H SER 690 H SER 690 -1.303 2.822 6.541 262 HA SER 690 HA SER 690 0.147 3.831 4.975 263 1HB SER 690 2HB SER 690 -0.998 5.062 3.363 264 2HB SER 690 1HB SER 690 -2.341 4.257 4.170 265 HG SER 690 HG SER 690 -2.902 6.358 4.180 266 H ASN 691 H ASN 691 0.600 4.576 7.646 267 HA ASN 691 HA ASN 691 0.699 7.496 7.891 268 1HB ASN 691 2HB ASN 691 1.937 6.877 9.994 269 2HB ASN 691 1HB ASN 691 0.378 6.070 9.831 270 1HD2 ASN 691 1HD2 ASN 691 0.370 3.777 9.671 271 2HD2 ASN 691 2HD2 ASN 691 1.782 2.834 9.690 272 H VAL 692 H VAL 692 2.384 5.655 5.847 273 HA VAL 692 HA VAL 692 4.901 7.239 6.219 274 HB VAL 692 HB VAL 692 6.011 5.125 5.295 275 1HG1 VAL 692 1HG1 VAL 692 4.619 4.462 7.863 276 2HG1 VAL 692 2HG1 VAL 692 5.649 5.893 7.809 277 3HG1 VAL 692 3HG1 VAL 692 6.325 4.306 7.442 278 1HG2 VAL 692 1HG2 VAL 692 3.273 4.009 5.981 279 2HG2 VAL 692 2HG2 VAL 692 4.694 3.038 5.593 280 3HG2 VAL 692 3HG2 VAL 692 3.984 4.092 4.369 281 HA PRO 693 HA PRO 693 2.975 7.988 2.039 282 1HB PRO 693 2HB PRO 693 4.206 10.586 2.202 283 2HB PRO 693 1HB PRO 693 2.486 10.191 2.256 284 1HG PRO 693 2HG PRO 693 4.153 11.084 4.414 285 2HG PRO 693 1HG PRO 693 2.434 10.681 4.464 286 1HD PRO 693 2HD PRO 693 4.631 9.186 5.583 287 2HD PRO 693 1HD PRO 693 2.899 8.772 5.618 288 H ALA 694 H ALA 694 6.164 8.221 3.421 289 HA ALA 694 HA ALA 694 7.768 8.903 1.202 290 1HB ALA 694 1HB ALA 694 9.231 8.560 2.888 291 2HB ALA 694 2HB ALA 694 9.030 6.821 2.667 292 3HB ALA 694 3HB ALA 694 8.001 7.690 3.807 293 H LEU 695 H LEU 695 6.078 5.899 1.921 294 HA LEU 695 HA LEU 695 6.964 4.860 -0.733 295 1HB LEU 695 2HB LEU 695 7.873 2.978 0.199 296 2HB LEU 695 1HB LEU 695 8.050 4.030 1.594 297 HG LEU 695 HG LEU 695 7.102 2.016 2.420 298 1HD1 LEU 695 1HD1 LEU 695 5.367 2.876 3.592 299 2HD1 LEU 695 2HD1 LEU 695 4.494 3.363 2.144 300 3HD1 LEU 695 3HD1 LEU 695 5.796 4.370 2.768 301 1HD2 LEU 695 1HD2 LEU 695 4.653 1.840 0.889 302 2HD2 LEU 695 2HD2 LEU 695 5.896 0.615 1.146 303 3HD2 LEU 695 3HD2 LEU 695 6.058 1.772 -0.175 304 H TRP 696 H TRP 696 4.383 5.618 1.282 305 HA TRP 696 HA TRP 696 2.600 3.688 -0.163 306 1HB TRP 696 2HB TRP 696 2.850 4.597 2.644 307 2HB TRP 696 1HB TRP 696 1.198 4.473 2.040 308 HD1 TRP 696 HD TRP 696 3.078 2.464 4.053 309 HE1 TRP 696 1HE TRP 696 2.882 -0.060 3.565 310 HE3 TRP 696 3HE TRP 696 1.167 2.620 -0.684 311 HZ2 TRP 696 2HZ TRP 696 2.029 -1.783 1.451 312 HZ3 TRP 696 3HZ TRP 696 0.676 0.524 -1.909 313 HH2 TRP 696 HH TRP 696 1.102 -1.676 -0.849 314 H GLN 697 H GLN 697 1.328 4.710 -1.629 315 HA GLN 697 HA GLN 697 0.553 7.565 -1.116 316 1HB GLN 697 2HB GLN 697 2.034 7.222 -3.049 317 2HB GLN 697 1HB GLN 697 0.943 5.990 -3.685 318 1HG GLN 697 2HG GLN 697 -0.869 7.840 -3.602 319 2HG GLN 697 1HG GLN 697 0.485 8.961 -3.457 320 1HE2 GLN 697 1HE2 GLN 697 -1.470 8.379 -5.775 321 2HE2 GLN 697 2HE2 GLN 697 -0.451 8.107 -7.105 322 H LEU 698 H LEU 698 -1.682 8.107 -1.796 323 HA LEU 698 HA LEU 698 -3.454 5.743 -2.209 324 1HB LEU 698 2HB LEU 698 -4.713 6.208 -0.294 325 2HB LEU 698 1HB LEU 698 -3.087 6.608 0.251 326 HG LEU 698 HG LEU 698 -3.755 9.002 -0.743 327 1HD1 LEU 698 1HD1 LEU 698 -6.274 9.151 0.217 328 2HD1 LEU 698 2HD1 LEU 698 -6.297 7.495 -0.392 329 3HD1 LEU 698 3HD1 LEU 698 -5.922 8.831 -1.481 330 1HD2 LEU 698 1HD2 LEU 698 -4.934 8.232 1.920 331 2HD2 LEU 698 2HD2 LEU 698 -4.051 9.694 1.482 332 3HD2 LEU 698 3HD2 LEU 698 -3.188 8.168 1.675 333 H GLN 699 H GLN 699 -5.675 6.431 -2.893 334 HA GLN 699 HA GLN 699 -6.024 9.185 -3.868 335 1HB GLN 699 2HB GLN 699 -6.288 8.218 -6.264 336 2HB GLN 699 1HB GLN 699 -4.649 8.422 -5.645 337 1HG GLN 699 2HG GLN 699 -6.044 5.824 -5.132 338 2HG GLN 699 1HG GLN 699 -5.406 6.127 -6.748 339 1HE2 GLN 699 1HE2 GLN 699 -4.489 4.419 -4.235 340 2HE2 GLN 699 2HE2 GLN 699 -2.829 4.764 -4.150 Start of MODEL 24 1 HA ALA 655 HA ALA 655 -6.754 -7.296 -2.904 2 1HB ALA 655 1HB ALA 655 -5.700 -6.240 -4.732 3 2HB ALA 655 2HB ALA 655 -5.556 -4.705 -3.874 4 3HB ALA 655 3HB ALA 655 -7.128 -5.239 -4.466 5 H TRP 656 H TRP 656 -5.638 -4.473 -1.081 6 HA TRP 656 HA TRP 656 -2.893 -5.294 -0.793 7 1HB TRP 656 2HB TRP 656 -3.703 -3.020 -0.360 8 2HB TRP 656 1HB TRP 656 -4.730 -3.613 0.945 9 HD1 TRP 656 HD TRP 656 -1.066 -3.009 0.042 10 HE1 TRP 656 1HE TRP 656 0.337 -3.042 2.204 11 HE3 TRP 656 3HE TRP 656 -4.628 -4.498 3.386 12 HZ2 TRP 656 2HZ TRP 656 -0.004 -3.622 4.985 13 HZ3 TRP 656 3HZ TRP 656 -4.062 -4.782 5.782 14 HH2 TRP 656 HH TRP 656 -1.758 -4.347 6.585 15 H GLN 657 H GLN 657 -1.937 -6.595 0.813 16 HA GLN 657 HA GLN 657 -3.766 -7.853 2.823 17 1HB GLN 657 2HB GLN 657 -1.786 -9.225 0.975 18 2HB GLN 657 1HB GLN 657 -2.728 -10.031 2.230 19 1HG GLN 657 2HG GLN 657 -4.760 -8.865 0.981 20 2HG GLN 657 1HG GLN 657 -3.638 -8.882 -0.381 21 1HE2 GLN 657 1HE2 GLN 657 -4.340 -10.635 -1.643 22 2HE2 GLN 657 2HE2 GLN 657 -4.580 -12.208 -1.049 23 H VAL 658 H VAL 658 -2.658 -8.592 4.736 24 HA VAL 658 HA VAL 658 -0.263 -7.061 5.413 25 HB VAL 658 HB VAL 658 -1.671 -9.278 6.925 26 1HG1 VAL 658 1HG1 VAL 658 0.547 -8.472 7.781 27 2HG1 VAL 658 2HG1 VAL 658 -0.787 -8.168 8.895 28 3HG1 VAL 658 3HG1 VAL 658 -0.142 -6.854 7.911 29 1HG2 VAL 658 1HG2 VAL 658 -3.474 -7.936 7.086 30 2HG2 VAL 658 2HG2 VAL 658 -2.686 -6.744 6.050 31 3HG2 VAL 658 3HG2 VAL 658 -2.463 -6.677 7.798 32 H ASN 659 H ASN 659 1.778 -8.033 6.056 33 HA ASN 659 HA ASN 659 3.578 -9.540 5.782 34 1HB ASN 659 2HB ASN 659 1.115 -11.076 6.327 35 2HB ASN 659 1HB ASN 659 2.407 -12.018 5.584 36 1HD2 ASN 659 1HD2 ASN 659 2.295 -13.043 7.904 37 2HD2 ASN 659 2HD2 ASN 659 3.282 -12.333 9.087 38 H THR 660 H THR 660 2.973 -8.282 3.438 39 HA THR 660 HA THR 660 3.306 -10.469 1.427 40 HB THR 660 HB THR 660 1.345 -8.162 1.427 41 HG1 THR 660 1HG THR 660 0.716 -10.763 0.694 42 1HG2 THR 660 1HG2 THR 660 2.792 -9.209 -0.793 43 2HG2 THR 660 2HG2 THR 660 1.457 -8.057 -0.814 44 3HG2 THR 660 3HG2 THR 660 1.131 -9.787 -0.919 45 H ALA 661 H ALA 661 4.999 -10.020 0.065 46 HA ALA 661 HA ALA 661 6.499 -7.535 0.360 47 1HB ALA 661 1HB ALA 661 7.164 -10.055 -0.173 48 2HB ALA 661 2HB ALA 661 8.123 -8.719 -0.810 49 3HB ALA 661 3HB ALA 661 6.938 -9.522 -1.840 50 H TYR 662 H TYR 662 6.096 -5.696 -0.796 51 HA TYR 662 HA TYR 662 4.550 -5.938 -3.356 52 1HB TYR 662 2HB TYR 662 4.640 -3.966 -1.087 53 2HB TYR 662 1HB TYR 662 4.111 -3.427 -2.681 54 HD1 TYR 662 1HD TYR 662 2.639 -5.634 -3.787 55 HD2 TYR 662 2HD TYR 662 2.768 -4.262 0.281 56 HE1 TYR 662 1HE TYR 662 0.402 -6.624 -3.382 57 HE2 TYR 662 2HE TYR 662 0.531 -5.252 0.686 58 HH TYR 662 HH TYR 662 -1.428 -6.492 -1.912 59 H THR 663 H THR 663 5.128 -4.265 -5.002 60 HA THR 663 HA THR 663 8.060 -3.651 -4.921 61 HB THR 663 HB THR 663 7.032 -3.369 -7.532 62 HG1 THR 663 1HG THR 663 6.028 -5.682 -6.237 63 1HG2 THR 663 1HG2 THR 663 8.383 -5.335 -7.987 64 2HG2 THR 663 2HG2 THR 663 8.348 -5.796 -6.285 65 3HG2 THR 663 3HG2 THR 663 9.215 -4.345 -6.787 66 H ALA 664 H ALA 664 8.310 -1.691 -6.753 67 HA ALA 664 HA ALA 664 7.065 0.619 -5.433 68 1HB ALA 664 1HB ALA 664 8.982 1.560 -6.162 69 2HB ALA 664 2HB ALA 664 8.566 1.195 -7.837 70 3HB ALA 664 3HB ALA 664 9.422 0.002 -6.861 71 H GLY 665 H GLY 665 5.910 2.288 -6.690 72 1HA GLY 665 2HA GLY 665 4.104 2.893 -8.063 73 2HA GLY 665 1HA GLY 665 5.021 2.090 -9.338 74 H GLN 666 H GLN 666 3.907 0.338 -6.513 75 HA GLN 666 HA GLN 666 2.385 -1.492 -8.241 76 1HB GLN 666 2HB GLN 666 3.787 -1.558 -5.788 77 2HB GLN 666 1HB GLN 666 2.104 -1.915 -5.392 78 1HG GLN 666 2HG GLN 666 3.111 -3.271 -7.813 79 2HG GLN 666 1HG GLN 666 3.886 -3.774 -6.311 80 1HE2 GLN 666 1HE2 GLN 666 2.420 -5.766 -7.353 81 2HE2 GLN 666 2HE2 GLN 666 0.914 -5.933 -6.589 82 H LEU 667 H LEU 667 0.140 -2.197 -7.235 83 HA LEU 667 HA LEU 667 -1.362 0.220 -6.305 84 1HB LEU 667 2HB LEU 667 -1.335 -0.446 -8.868 85 2HB LEU 667 1HB LEU 667 -2.517 -1.647 -8.347 86 HG LEU 667 HG LEU 667 -3.729 0.339 -9.007 87 1HD1 LEU 667 1HD1 LEU 667 -4.560 -0.820 -6.999 88 2HD1 LEU 667 2HD1 LEU 667 -4.841 0.917 -6.871 89 3HD1 LEU 667 3HD1 LEU 667 -3.511 0.170 -5.984 90 1HD2 LEU 667 1HD2 LEU 667 -3.113 2.390 -7.327 91 2HD2 LEU 667 2HD2 LEU 667 -2.416 2.212 -8.937 92 3HD2 LEU 667 3HD2 LEU 667 -1.522 1.654 -7.524 93 H VAL 668 H VAL 668 -2.121 -0.438 -4.328 94 HA VAL 668 HA VAL 668 -3.348 -3.172 -4.131 95 HB VAL 668 HB VAL 668 -2.489 -3.283 -1.913 96 1HG1 VAL 668 1HG1 VAL 668 -0.784 -3.070 -3.977 97 2HG1 VAL 668 2HG1 VAL 668 -0.224 -3.287 -2.319 98 3HG1 VAL 668 3HG1 VAL 668 -0.243 -1.677 -3.039 99 1HG2 VAL 668 1HG2 VAL 668 -1.949 -0.305 -2.158 100 2HG2 VAL 668 2HG2 VAL 668 -1.504 -1.302 -0.773 101 3HG2 VAL 668 3HG2 VAL 668 -3.204 -1.055 -1.170 102 H THR 669 H THR 669 -5.064 -3.136 -2.228 103 HA THR 669 HA THR 669 -6.445 -0.486 -2.114 104 HB THR 669 HB THR 669 -8.583 -1.942 -2.534 105 HG1 THR 669 1HG THR 669 -8.124 -3.756 -3.800 106 1HG2 THR 669 1HG2 THR 669 -6.605 -0.781 -4.382 107 2HG2 THR 669 2HG2 THR 669 -8.350 -0.532 -4.298 108 3HG2 THR 669 3HG2 THR 669 -7.699 -1.944 -5.130 109 H TYR 670 H TYR 670 -6.817 -0.066 0.012 110 HA TYR 670 HA TYR 670 -6.842 -2.282 1.981 111 1HB TYR 670 2HB TYR 670 -6.829 0.747 2.125 112 2HB TYR 670 1HB TYR 670 -6.869 -0.282 3.556 113 HD1 TYR 670 1HD TYR 670 -4.903 0.456 0.469 114 HD2 TYR 670 2HD TYR 670 -4.890 -1.272 4.402 115 HE1 TYR 670 1HE TYR 670 -2.443 0.178 0.340 116 HE2 TYR 670 2HE TYR 670 -2.430 -1.550 4.273 117 HH TYR 670 HH TYR 670 -0.536 -0.620 3.078 118 H ASN 671 H ASN 671 -8.542 -1.097 3.912 119 HA ASN 671 HA ASN 671 -11.082 -2.106 3.356 120 1HB ASN 671 2HB ASN 671 -11.809 -0.627 5.190 121 2HB ASN 671 1HB ASN 671 -10.216 -1.301 5.548 122 1HD2 ASN 671 1HD2 ASN 671 -11.865 1.550 5.752 123 2HD2 ASN 671 2HD2 ASN 671 -10.585 2.646 5.554 124 H GLY 672 H GLY 672 -11.736 -1.576 1.183 125 1HA GLY 672 2HA GLY 672 -12.707 -0.252 -0.498 126 2HA GLY 672 1HA GLY 672 -13.398 0.672 0.839 127 H LYS 673 H LYS 673 -9.937 0.349 0.428 128 HA LYS 673 HA LYS 673 -9.816 3.265 -0.271 129 1HB LYS 673 2HB LYS 673 -8.678 1.624 1.811 130 2HB LYS 673 1HB LYS 673 -7.382 2.334 0.850 131 1HG LYS 673 2HG LYS 673 -8.163 3.765 2.789 132 2HG LYS 673 1HG LYS 673 -8.222 4.559 1.216 133 1HD LYS 673 2HD LYS 673 -10.429 4.907 1.461 134 2HD LYS 673 1HD LYS 673 -10.694 3.170 1.612 135 1HE LYS 673 2HE LYS 673 -11.268 3.530 3.775 136 2HE LYS 673 1HE LYS 673 -9.582 3.995 4.082 137 1HZ LYS 673 1HZ LYS 673 -10.056 6.229 3.425 138 2HZ LYS 673 2HZ LYS 673 -11.202 5.783 4.597 139 3HZ LYS 673 3HZ LYS 673 -11.634 5.823 2.955 140 H THR 674 H THR 674 -8.181 3.901 -1.782 141 HA THR 674 HA THR 674 -7.139 1.668 -3.494 142 HB THR 674 HB THR 674 -7.634 4.589 -4.167 143 HG1 THR 674 1HG THR 674 -9.255 2.375 -4.841 144 1HG2 THR 674 1HG2 THR 674 -6.597 2.237 -5.613 145 2HG2 THR 674 2HG2 THR 674 -6.380 3.955 -5.951 146 3HG2 THR 674 3HG2 THR 674 -7.850 3.132 -6.475 147 H TYR 675 H TYR 675 -4.976 1.351 -3.029 148 HA TYR 675 HA TYR 675 -3.329 3.779 -2.413 149 1HB TYR 675 2HB TYR 675 -3.485 0.997 -1.332 150 2HB TYR 675 1HB TYR 675 -1.926 1.824 -1.291 151 HD1 TYR 675 1HD TYR 675 -1.457 2.982 0.655 152 HD2 TYR 675 2HD TYR 675 -5.529 2.696 -0.674 153 HE1 TYR 675 1HE TYR 675 -2.192 4.295 2.619 154 HE2 TYR 675 2HE TYR 675 -6.267 4.011 1.294 155 HH TYR 675 HH TYR 675 -4.067 5.694 3.304 156 H LYS 676 H LYS 676 -1.090 3.689 -3.122 157 HA LYS 676 HA LYS 676 -0.489 1.744 -5.306 158 1HB LYS 676 2HB LYS 676 -1.321 3.598 -6.510 159 2HB LYS 676 1HB LYS 676 -0.619 4.756 -5.381 160 1HG LYS 676 2HG LYS 676 1.434 3.073 -6.558 161 2HG LYS 676 1HG LYS 676 0.502 3.905 -7.804 162 1HD LYS 676 2HD LYS 676 0.860 6.052 -6.606 163 2HD LYS 676 1HD LYS 676 1.856 5.203 -5.422 164 1HE LYS 676 2HE LYS 676 3.612 4.908 -6.907 165 2HE LYS 676 1HE LYS 676 2.543 4.876 -8.323 166 1HZ LYS 676 1HZ LYS 676 2.024 7.301 -7.391 167 2HZ LYS 676 2HZ LYS 676 3.251 6.999 -8.528 168 3HZ LYS 676 3HZ LYS 676 3.636 7.160 -6.881 169 H CYS 677 H CYS 677 1.374 0.786 -4.566 170 HA CYS 677 HA CYS 677 3.133 1.911 -2.609 171 1HB CYS 677 2HB CYS 677 2.755 -0.490 -4.095 172 2HB CYS 677 1HB CYS 677 4.443 -0.017 -4.285 173 HG CYS 677 HG CYS 677 4.050 0.287 -1.439 174 H LEU 678 H LEU 678 5.115 2.983 -2.841 175 HA LEU 678 HA LEU 678 5.729 4.018 -5.587 176 1HB LEU 678 2HB LEU 678 5.008 5.453 -3.477 177 2HB LEU 678 1HB LEU 678 6.701 5.250 -3.026 178 HG LEU 678 HG LEU 678 6.008 6.130 -5.813 179 1HD1 LEU 678 1HD1 LEU 678 6.402 8.055 -3.514 180 2HD1 LEU 678 2HD1 LEU 678 4.801 7.577 -4.080 181 3HD1 LEU 678 3HD1 LEU 678 5.903 8.425 -5.166 182 1HD2 LEU 678 1HD2 LEU 678 8.361 5.989 -4.035 183 2HD2 LEU 678 2HD2 LEU 678 8.225 7.494 -4.943 184 3HD2 LEU 678 3HD2 LEU 678 8.278 5.952 -5.796 185 H GLN 679 H GLN 679 6.902 2.131 -2.945 186 HA GLN 679 HA GLN 679 9.502 1.802 -4.352 187 1HB GLN 679 2HB GLN 679 8.985 3.197 -1.841 188 2HB GLN 679 1HB GLN 679 10.147 1.885 -1.633 189 1HG GLN 679 2HG GLN 679 10.915 3.086 -4.030 190 2HG GLN 679 1HG GLN 679 10.481 4.444 -2.989 191 1HE2 GLN 679 1HE2 GLN 679 13.037 2.390 -3.767 192 2HE2 GLN 679 2HE2 GLN 679 13.961 2.581 -2.356 193 HA PRO 680 HA PRO 680 8.835 -2.464 -3.463 194 1HB PRO 680 2HB PRO 680 11.632 -2.945 -3.001 195 2HB PRO 680 1HB PRO 680 10.695 -3.284 -4.458 196 1HG PRO 680 2HG PRO 680 12.667 -1.234 -4.068 197 2HG PRO 680 1HG PRO 680 11.736 -1.581 -5.528 198 1HD PRO 680 2HD PRO 680 11.451 0.667 -3.752 199 2HD PRO 680 1HD PRO 680 10.485 0.292 -5.200 200 H HIS 681 H HIS 681 7.957 -2.940 -1.460 201 HA HIS 681 HA HIS 681 9.791 -3.093 0.870 202 1HB HIS 681 2HB HIS 681 7.278 -1.409 0.673 203 2HB HIS 681 1HB HIS 681 8.049 -1.813 2.209 204 HD1 HIS 681 1HD HIS 681 10.998 -1.543 1.452 205 HD2 HIS 681 2HD HIS 681 8.101 1.228 0.310 206 HE1 HIS 681 1HE HIS 681 12.229 0.604 0.929 207 H THR 682 H THR 682 7.767 -3.590 2.789 208 HA THR 682 HA THR 682 6.254 -5.912 1.658 209 HB THR 682 HB THR 682 8.187 -5.821 3.987 210 HG1 THR 682 1HG THR 682 8.961 -7.686 2.757 211 1HG2 THR 682 1HG2 THR 682 7.462 -8.023 4.622 212 2HG2 THR 682 2HG2 THR 682 6.381 -8.128 3.233 213 3HG2 THR 682 3HG2 THR 682 6.022 -7.008 4.547 214 H SER 683 H SER 683 4.138 -5.720 2.278 215 HA SER 683 HA SER 683 3.259 -3.774 4.232 216 1HB SER 683 2HB SER 683 1.067 -4.659 3.656 217 2HB SER 683 1HB SER 683 2.036 -4.599 2.184 218 HG SER 683 HG SER 683 1.253 -6.797 3.750 219 H LEU 684 H LEU 684 2.630 -4.123 6.380 220 HA LEU 684 HA LEU 684 2.717 -6.913 7.432 221 1HB LEU 684 2HB LEU 684 4.398 -6.403 8.979 222 2HB LEU 684 1HB LEU 684 4.912 -5.458 7.584 223 HG LEU 684 HG LEU 684 3.323 -4.422 9.952 224 1HD1 LEU 684 1HD1 LEU 684 6.192 -4.511 9.245 225 2HD1 LEU 684 2HD1 LEU 684 5.426 -4.337 10.824 226 3HD1 LEU 684 3HD1 LEU 684 5.608 -2.932 9.772 227 1HD2 LEU 684 1HD2 LEU 684 3.799 -2.191 8.803 228 2HD2 LEU 684 2HD2 LEU 684 2.607 -3.218 8.008 229 3HD2 LEU 684 3HD2 LEU 684 4.250 -3.125 7.377 230 H ALA 685 H ALA 685 1.974 -6.802 9.873 231 HA ALA 685 HA ALA 685 -0.664 -5.655 9.953 232 1HB ALA 685 1HB ALA 685 1.098 -7.344 11.520 233 2HB ALA 685 2HB ALA 685 -0.665 -7.310 11.494 234 3HB ALA 685 3HB ALA 685 0.223 -6.228 12.568 235 H GLY 686 H GLY 686 -0.055 -3.354 9.433 236 1HA GLY 686 2HA GLY 686 -0.282 -1.580 11.537 237 2HA GLY 686 1HA GLY 686 1.459 -1.830 11.403 238 H TRP 687 H TRP 687 1.062 -2.279 8.403 239 HA TRP 687 HA TRP 687 1.344 0.560 7.649 240 1HB TRP 687 2HB TRP 687 1.787 -2.145 6.426 241 2HB TRP 687 1HB TRP 687 1.680 -0.743 5.362 242 HD1 TRP 687 HD TRP 687 3.044 0.300 8.596 243 HE1 TRP 687 1HE TRP 687 5.606 0.558 8.483 244 HE3 TRP 687 3HE TRP 687 3.963 -2.031 4.152 245 HZ2 TRP 687 2HZ TRP 687 7.762 -0.132 6.733 246 HZ3 TRP 687 3HZ TRP 687 6.276 -2.217 3.283 247 HH2 TRP 687 HH TRP 687 8.176 -1.271 4.567 248 H GLU 688 H GLU 688 -1.344 -0.426 8.470 249 HA GLU 688 HA GLU 688 -2.870 -0.558 5.945 250 1HB GLU 688 2HB GLU 688 -4.218 -0.285 8.596 251 2HB GLU 688 1HB GLU 688 -4.589 -1.357 7.254 252 1HG GLU 688 2HG GLU 688 -2.457 -2.626 7.817 253 2HG GLU 688 1HG GLU 688 -2.384 -1.679 9.303 254 HA PRO 689 HA PRO 689 -4.435 3.636 7.739 255 1HB PRO 689 2HB PRO 689 -2.462 4.620 9.588 256 2HB PRO 689 1HB PRO 689 -4.136 4.168 9.926 257 1HG PRO 689 2HG PRO 689 -1.811 2.801 10.784 258 2HG PRO 689 1HG PRO 689 -3.480 2.245 10.930 259 1HD PRO 689 2HD PRO 689 -1.383 1.322 9.088 260 2HD PRO 689 1HD PRO 689 -2.943 0.563 9.482 261 H SER 690 H SER 690 -1.379 2.696 6.684 262 HA SER 690 HA SER 690 0.140 3.693 5.181 263 1HB SER 690 2HB SER 690 -0.846 5.162 3.695 264 2HB SER 690 1HB SER 690 -2.295 4.540 4.476 265 HG SER 690 HG SER 690 -2.525 6.384 5.544 266 H ASN 691 H ASN 691 0.993 3.953 7.673 267 HA ASN 691 HA ASN 691 1.230 6.725 8.582 268 1HB ASN 691 2HB ASN 691 2.878 4.338 9.436 269 2HB ASN 691 1HB ASN 691 2.396 5.730 10.405 270 1HD2 ASN 691 1HD2 ASN 691 1.283 2.653 9.071 271 2HD2 ASN 691 2HD2 ASN 691 -0.173 2.596 9.939 272 H VAL 692 H VAL 692 2.573 5.269 5.980 273 HA VAL 692 HA VAL 692 5.070 6.905 6.204 274 HB VAL 692 HB VAL 692 6.199 4.957 5.031 275 1HG1 VAL 692 1HG1 VAL 692 5.321 5.188 7.791 276 2HG1 VAL 692 2HG1 VAL 692 6.875 4.644 7.160 277 3HG1 VAL 692 3HG1 VAL 692 5.546 3.499 7.338 278 1HG2 VAL 692 1HG2 VAL 692 5.047 2.779 5.138 279 2HG2 VAL 692 2HG2 VAL 692 4.126 3.917 4.157 280 3HG2 VAL 692 3HG2 VAL 692 3.616 3.561 5.808 281 HA PRO 693 HA PRO 693 2.568 7.794 2.360 282 1HB PRO 693 2HB PRO 693 3.537 10.489 2.626 283 2HB PRO 693 1HB PRO 693 1.885 9.901 2.837 284 1HG PRO 693 2HG PRO 693 3.718 10.788 4.866 285 2HG PRO 693 1HG PRO 693 2.057 10.225 5.072 286 1HD PRO 693 2HD PRO 693 4.481 8.860 5.814 287 2HD PRO 693 1HD PRO 693 2.808 8.270 5.974 288 H ALA 694 H ALA 694 5.849 8.160 3.417 289 HA ALA 694 HA ALA 694 7.106 9.217 1.095 290 1HB ALA 694 1HB ALA 694 9.093 8.322 2.090 291 2HB ALA 694 2HB ALA 694 8.193 7.039 2.897 292 3HB ALA 694 3HB ALA 694 8.024 8.711 3.438 293 H LEU 695 H LEU 695 6.239 5.857 1.939 294 HA LEU 695 HA LEU 695 6.914 5.086 -0.875 295 1HB LEU 695 2HB LEU 695 7.957 3.269 0.003 296 2HB LEU 695 1HB LEU 695 7.896 4.149 1.521 297 HG LEU 695 HG LEU 695 7.066 1.928 1.923 298 1HD1 LEU 695 1HD1 LEU 695 5.458 2.736 3.258 299 2HD1 LEU 695 2HD1 LEU 695 4.384 2.957 1.878 300 3HD1 LEU 695 3HD1 LEU 695 5.493 4.242 2.345 301 1HD2 LEU 695 1HD2 LEU 695 6.121 2.124 -0.727 302 2HD2 LEU 695 2HD2 LEU 695 4.690 1.917 0.282 303 3HD2 LEU 695 3HD2 LEU 695 5.994 0.733 0.350 304 H TRP 696 H TRP 696 4.364 5.438 1.397 305 HA TRP 696 HA TRP 696 2.567 3.641 -0.180 306 1HB TRP 696 2HB TRP 696 2.820 4.568 2.607 307 2HB TRP 696 1HB TRP 696 1.163 4.575 2.002 308 HD1 TRP 696 HD TRP 696 2.801 2.455 4.068 309 HE1 TRP 696 1HE TRP 696 2.420 -0.053 3.621 310 HE3 TRP 696 3HE TRP 696 1.074 2.666 -0.740 311 HZ2 TRP 696 2HZ TRP 696 1.505 -1.745 1.504 312 HZ3 TRP 696 3HZ TRP 696 0.459 0.592 -1.943 313 HH2 TRP 696 HH TRP 696 0.672 -1.612 -0.829 314 H GLN 697 H GLN 697 2.182 5.094 -1.974 315 HA GLN 697 HA GLN 697 0.896 7.706 -1.274 316 1HB GLN 697 2HB GLN 697 2.917 7.628 -2.757 317 2HB GLN 697 1HB GLN 697 1.991 6.661 -3.906 318 1HG GLN 697 2HG GLN 697 0.936 8.483 -4.719 319 2HG GLN 697 1HG GLN 697 0.539 9.056 -3.097 320 1HE2 GLN 697 1HE2 GLN 697 2.043 10.530 -2.050 321 2HE2 GLN 697 2HE2 GLN 697 3.300 11.281 -2.910 322 H LEU 698 H LEU 698 -1.281 7.188 -0.979 323 HA LEU 698 HA LEU 698 -2.606 5.399 -2.946 324 1HB LEU 698 2HB LEU 698 -4.297 5.223 -1.278 325 2HB LEU 698 1HB LEU 698 -2.787 5.294 -0.371 326 HG LEU 698 HG LEU 698 -3.538 7.975 -0.752 327 1HD1 LEU 698 1HD1 LEU 698 -5.867 7.533 0.578 328 2HD1 LEU 698 2HD1 LEU 698 -5.867 6.155 -0.522 329 3HD1 LEU 698 3HD1 LEU 698 -5.779 7.796 -1.164 330 1HD2 LEU 698 1HD2 LEU 698 -3.016 7.959 1.445 331 2HD2 LEU 698 2HD2 LEU 698 -2.833 6.210 1.322 332 3HD2 LEU 698 3HD2 LEU 698 -4.379 6.901 1.811 333 H GLN 699 H GLN 699 -5.179 6.454 -2.867 334 HA GLN 699 HA GLN 699 -5.126 9.301 -3.605 335 1HB GLN 699 2HB GLN 699 -5.752 8.857 -5.948 336 2HB GLN 699 1HB GLN 699 -4.195 8.112 -5.580 337 1HG GLN 699 2HG GLN 699 -5.048 6.147 -6.274 338 2HG GLN 699 1HG GLN 699 -6.129 6.189 -4.881 339 1HE2 GLN 699 1HE2 GLN 699 -6.352 5.592 -8.041 340 2HE2 GLN 699 2HE2 GLN 699 -7.834 6.329 -8.417 Start of MODEL 25 1 HA ALA 655 HA ALA 655 -6.139 -5.246 -3.549 2 1HB ALA 655 1HB ALA 655 -8.003 -6.828 -1.915 3 2HB ALA 655 2HB ALA 655 -8.147 -5.164 -2.481 4 3HB ALA 655 3HB ALA 655 -7.227 -5.522 -1.020 5 H TRP 656 H TRP 656 -5.476 -4.442 -1.012 6 HA TRP 656 HA TRP 656 -2.730 -5.318 -0.742 7 1HB TRP 656 2HB TRP 656 -3.542 -3.043 -0.247 8 2HB TRP 656 1HB TRP 656 -4.553 -3.678 1.050 9 HD1 TRP 656 HD TRP 656 -0.915 -3.001 0.132 10 HE1 TRP 656 1HE TRP 656 0.521 -3.120 2.270 11 HE3 TRP 656 3HE TRP 656 -4.405 -4.713 3.442 12 HZ2 TRP 656 2HZ TRP 656 0.227 -3.847 5.021 13 HZ3 TRP 656 3HZ TRP 656 -3.801 -5.109 5.813 14 HH2 TRP 656 HH TRP 656 -1.492 -4.679 6.606 15 H GLN 657 H GLN 657 -1.874 -6.822 0.685 16 HA GLN 657 HA GLN 657 -3.742 -8.082 2.664 17 1HB GLN 657 2HB GLN 657 -1.838 -9.308 0.655 18 2HB GLN 657 1HB GLN 657 -2.492 -10.224 2.012 19 1HG GLN 657 2HG GLN 657 -4.058 -8.885 -0.210 20 2HG GLN 657 1HG GLN 657 -3.926 -10.616 0.104 21 1HE2 GLN 657 1HE2 GLN 657 -6.149 -8.266 0.377 22 2HE2 GLN 657 2HE2 GLN 657 -6.935 -8.732 1.807 23 H VAL 658 H VAL 658 -2.723 -8.771 4.621 24 HA VAL 658 HA VAL 658 -0.339 -7.308 5.392 25 HB VAL 658 HB VAL 658 -2.132 -7.774 6.957 26 1HG1 VAL 658 1HG1 VAL 658 -1.826 -10.592 7.370 27 2HG1 VAL 658 2HG1 VAL 658 -2.117 -10.312 5.653 28 3HG1 VAL 658 3HG1 VAL 658 -3.265 -9.714 6.851 29 1HG2 VAL 658 1HG2 VAL 658 0.070 -9.657 7.800 30 2HG2 VAL 658 2HG2 VAL 658 -0.852 -8.525 8.791 31 3HG2 VAL 658 3HG2 VAL 658 0.368 -7.923 7.671 32 H ASN 659 H ASN 659 1.717 -8.247 5.986 33 HA ASN 659 HA ASN 659 3.550 -9.712 5.692 34 1HB ASN 659 2HB ASN 659 1.107 -11.326 6.118 35 2HB ASN 659 1HB ASN 659 2.445 -12.202 5.373 36 1HD2 ASN 659 1HD2 ASN 659 2.085 -9.759 8.022 37 2HD2 ASN 659 2HD2 ASN 659 3.116 -10.571 9.099 38 H THR 660 H THR 660 2.764 -8.357 3.379 39 HA THR 660 HA THR 660 3.189 -10.451 1.273 40 HB THR 660 HB THR 660 1.388 -8.008 1.213 41 HG1 THR 660 1HG THR 660 0.152 -9.419 2.167 42 1HG2 THR 660 1HG2 THR 660 0.936 -8.454 -1.013 43 2HG2 THR 660 2HG2 THR 660 1.381 -10.155 -0.871 44 3HG2 THR 660 3HG2 THR 660 2.636 -8.918 -0.942 45 H ALA 661 H ALA 661 4.586 -9.804 -0.423 46 HA ALA 661 HA ALA 661 6.239 -7.399 0.154 47 1HB ALA 661 1HB ALA 661 7.499 -8.637 -1.857 48 2HB ALA 661 2HB ALA 661 6.496 -9.986 -1.324 49 3HB ALA 661 3HB ALA 661 7.620 -9.227 -0.199 50 H TYR 662 H TYR 662 5.959 -5.560 -1.046 51 HA TYR 662 HA TYR 662 4.505 -5.795 -3.663 52 1HB TYR 662 2HB TYR 662 4.462 -3.800 -1.401 53 2HB TYR 662 1HB TYR 662 3.928 -3.332 -3.015 54 HD1 TYR 662 1HD TYR 662 2.552 -5.593 -4.090 55 HD2 TYR 662 2HD TYR 662 2.612 -4.188 -0.031 56 HE1 TYR 662 1HE TYR 662 0.358 -6.674 -3.683 57 HE2 TYR 662 2HE TYR 662 0.419 -5.270 0.376 58 HH TYR 662 HH TYR 662 -0.991 -7.472 -1.887 59 H THR 663 H THR 663 5.289 -4.463 -5.386 60 HA THR 663 HA THR 663 8.134 -3.628 -5.078 61 HB THR 663 HB THR 663 8.122 -3.783 -7.528 62 HG1 THR 663 1HG THR 663 6.314 -3.507 -8.524 63 1HG2 THR 663 1HG2 THR 663 8.491 -5.890 -6.508 64 2HG2 THR 663 2HG2 THR 663 7.244 -6.193 -7.717 65 3HG2 THR 663 3HG2 THR 663 6.805 -6.038 -6.015 66 H ALA 664 H ALA 664 8.607 -1.645 -6.662 67 HA ALA 664 HA ALA 664 7.126 0.631 -5.615 68 1HB ALA 664 1HB ALA 664 9.183 1.447 -6.064 69 2HB ALA 664 2HB ALA 664 8.774 1.390 -7.778 70 3HB ALA 664 3HB ALA 664 9.581 0.019 -7.018 71 H GLY 665 H GLY 665 5.633 1.927 -6.733 72 1HA GLY 665 2HA GLY 665 4.214 2.619 -8.488 73 2HA GLY 665 1HA GLY 665 5.139 1.593 -9.584 74 H GLN 666 H GLN 666 3.956 0.109 -6.694 75 HA GLN 666 HA GLN 666 2.233 -1.668 -8.286 76 1HB GLN 666 2HB GLN 666 3.821 -2.305 -6.391 77 2HB GLN 666 1HB GLN 666 2.666 -1.556 -5.288 78 1HG GLN 666 2HG GLN 666 2.395 -4.065 -5.597 79 2HG GLN 666 1HG GLN 666 0.943 -3.110 -5.898 80 1HE2 GLN 666 1HE2 GLN 666 3.460 -5.053 -7.452 81 2HE2 GLN 666 2HE2 GLN 666 2.713 -5.126 -8.974 82 H LEU 667 H LEU 667 -0.012 -2.183 -7.203 83 HA LEU 667 HA LEU 667 -1.296 0.321 -6.180 84 1HB LEU 667 2HB LEU 667 -1.709 -1.177 -8.704 85 2HB LEU 667 1HB LEU 667 -3.183 -0.695 -7.863 86 HG LEU 667 HG LEU 667 -1.117 1.406 -7.999 87 1HD1 LEU 667 1HD1 LEU 667 -2.617 1.171 -10.529 88 2HD1 LEU 667 2HD1 LEU 667 -1.378 -0.063 -10.302 89 3HD1 LEU 667 3HD1 LEU 667 -0.940 1.644 -10.254 90 1HD2 LEU 667 1HD2 LEU 667 -3.805 1.849 -9.117 91 2HD2 LEU 667 2HD2 LEU 667 -2.964 2.725 -7.838 92 3HD2 LEU 667 3HD2 LEU 667 -3.820 1.228 -7.466 93 H VAL 668 H VAL 668 -1.704 -0.559 -4.109 94 HA VAL 668 HA VAL 668 -3.183 -3.153 -3.980 95 HB VAL 668 HB VAL 668 -2.400 -3.248 -1.728 96 1HG1 VAL 668 1HG1 VAL 668 -0.647 -3.082 -3.785 97 2HG1 VAL 668 2HG1 VAL 668 -0.150 -3.387 -2.121 98 3HG1 VAL 668 3HG1 VAL 668 -0.059 -1.755 -2.782 99 1HG2 VAL 668 1HG2 VAL 668 -1.237 -1.180 -0.740 100 2HG2 VAL 668 2HG2 VAL 668 -2.992 -1.099 -0.885 101 3HG2 VAL 668 3HG2 VAL 668 -1.970 -0.271 -2.061 102 H THR 669 H THR 669 -4.974 -3.139 -2.232 103 HA THR 669 HA THR 669 -6.339 -0.483 -2.046 104 HB THR 669 HB THR 669 -8.455 -1.835 -2.664 105 HG1 THR 669 1HG THR 669 -7.509 -3.578 -4.209 106 1HG2 THR 669 1HG2 THR 669 -7.706 -1.804 -5.166 107 2HG2 THR 669 2HG2 THR 669 -6.218 -1.102 -4.531 108 3HG2 THR 669 3HG2 THR 669 -7.760 -0.285 -4.271 109 H TYR 670 H TYR 670 -6.559 -0.213 0.156 110 HA TYR 670 HA TYR 670 -6.737 -2.508 1.965 111 1HB TYR 670 2HB TYR 670 -6.914 0.503 2.273 112 2HB TYR 670 1HB TYR 670 -6.953 -0.613 3.640 113 HD1 TYR 670 1HD TYR 670 -4.958 -1.609 4.476 114 HD2 TYR 670 2HD TYR 670 -4.909 0.480 0.725 115 HE1 TYR 670 1HE TYR 670 -2.482 -1.755 4.426 116 HE2 TYR 670 2HE TYR 670 -2.435 0.340 0.678 117 HH TYR 670 HH TYR 670 -0.644 -1.371 3.237 118 H ASN 671 H ASN 671 -8.774 -3.306 0.805 119 HA ASN 671 HA ASN 671 -11.137 -3.460 0.605 120 1HB ASN 671 2HB ASN 671 -10.129 -3.765 3.162 121 2HB ASN 671 1HB ASN 671 -11.453 -2.624 3.403 122 1HD2 ASN 671 1HD2 ASN 671 -13.383 -3.432 1.617 123 2HD2 ASN 671 2HD2 ASN 671 -13.843 -5.040 1.905 124 H GLY 672 H GLY 672 -11.619 -1.609 -0.736 125 1HA GLY 672 2HA GLY 672 -13.080 0.238 -1.070 126 2HA GLY 672 1HA GLY 672 -13.153 0.461 0.677 127 H LYS 673 H LYS 673 -10.023 0.254 0.504 128 HA LYS 673 HA LYS 673 -9.674 3.178 0.022 129 1HB LYS 673 2HB LYS 673 -8.691 1.160 1.883 130 2HB LYS 673 1HB LYS 673 -7.366 2.080 1.170 131 1HG LYS 673 2HG LYS 673 -9.772 3.186 2.643 132 2HG LYS 673 1HG LYS 673 -8.083 3.263 3.149 133 1HD LYS 673 2HD LYS 673 -7.868 4.427 0.722 134 2HD LYS 673 1HD LYS 673 -9.527 4.882 1.116 135 1HE LYS 673 2HE LYS 673 -8.437 5.507 3.469 136 2HE LYS 673 1HE LYS 673 -6.980 5.682 2.469 137 1HZ LYS 673 1HZ LYS 673 -9.484 7.179 2.374 138 2HZ LYS 673 2HZ LYS 673 -8.745 6.828 0.883 139 3HZ LYS 673 3HZ LYS 673 -7.899 7.703 2.069 140 H THR 674 H THR 674 -8.332 3.905 -1.599 141 HA THR 674 HA THR 674 -7.088 1.860 -3.378 142 HB THR 674 HB THR 674 -7.452 4.841 -3.796 143 HG1 THR 674 1HG THR 674 -9.209 2.813 -4.671 144 1HG2 THR 674 1HG2 THR 674 -7.144 4.371 -6.086 145 2HG2 THR 674 2HG2 THR 674 -7.453 2.648 -5.865 146 3HG2 THR 674 3HG2 THR 674 -5.944 3.355 -5.287 147 H TYR 675 H TYR 675 -4.935 1.477 -2.931 148 HA TYR 675 HA TYR 675 -3.251 3.833 -2.162 149 1HB TYR 675 2HB TYR 675 -3.589 1.113 -0.951 150 2HB TYR 675 1HB TYR 675 -2.018 1.908 -0.830 151 HD1 TYR 675 1HD TYR 675 -5.581 2.096 0.095 152 HD2 TYR 675 2HD TYR 675 -1.724 3.947 0.462 153 HE1 TYR 675 1HE TYR 675 -6.440 3.515 1.934 154 HE2 TYR 675 2HE TYR 675 -2.584 5.372 2.298 155 HH TYR 675 HH TYR 675 -4.502 5.176 4.035 156 H LYS 676 H LYS 676 -0.969 3.595 -2.752 157 HA LYS 676 HA LYS 676 -0.399 1.482 -4.777 158 1HB LYS 676 2HB LYS 676 0.018 3.046 -6.452 159 2HB LYS 676 1HB LYS 676 -1.288 3.847 -5.584 160 1HG LYS 676 2HG LYS 676 0.682 4.883 -4.171 161 2HG LYS 676 1HG LYS 676 1.646 4.478 -5.592 162 1HD LYS 676 2HD LYS 676 -0.970 5.901 -5.957 163 2HD LYS 676 1HD LYS 676 0.449 6.820 -5.453 164 1HE LYS 676 2HE LYS 676 1.703 5.926 -7.412 165 2HE LYS 676 1HE LYS 676 0.234 5.082 -7.937 166 1HZ LYS 676 1HZ LYS 676 -0.627 7.605 -7.380 167 2HZ LYS 676 2HZ LYS 676 -0.311 6.991 -8.932 168 3HZ LYS 676 3HZ LYS 676 0.881 7.875 -8.106 169 H CYS 677 H CYS 677 1.724 0.764 -4.674 170 HA CYS 677 HA CYS 677 3.399 1.815 -2.476 171 1HB CYS 677 2HB CYS 677 2.821 -0.661 -3.290 172 2HB CYS 677 1HB CYS 677 4.218 -0.389 -4.331 173 HG CYS 677 HG CYS 677 4.319 -0.826 -1.319 174 H LEU 678 H LEU 678 5.299 2.971 -2.805 175 HA LEU 678 HA LEU 678 5.979 3.653 -5.639 176 1HB LEU 678 2HB LEU 678 5.769 5.065 -3.089 177 2HB LEU 678 1HB LEU 678 7.304 5.386 -3.897 178 HG LEU 678 HG LEU 678 5.161 5.419 -5.830 179 1HD1 LEU 678 1HD1 LEU 678 4.545 6.569 -3.225 180 2HD1 LEU 678 2HD1 LEU 678 3.500 6.367 -4.631 181 3HD1 LEU 678 3HD1 LEU 678 4.528 7.793 -4.494 182 1HD2 LEU 678 1HD2 LEU 678 7.448 6.488 -5.950 183 2HD2 LEU 678 2HD2 LEU 678 6.888 7.680 -4.778 184 3HD2 LEU 678 3HD2 LEU 678 6.123 7.576 -6.364 185 H GLN 679 H GLN 679 7.086 1.915 -2.901 186 HA GLN 679 HA GLN 679 9.734 1.532 -4.219 187 1HB GLN 679 2HB GLN 679 9.191 2.279 -1.328 188 2HB GLN 679 1HB GLN 679 10.766 1.764 -1.930 189 1HG GLN 679 2HG GLN 679 10.927 3.658 -3.391 190 2HG GLN 679 1HG GLN 679 9.241 4.092 -3.117 191 1HE2 GLN 679 1HE2 GLN 679 12.258 3.576 -1.195 192 2HE2 GLN 679 2HE2 GLN 679 11.953 4.845 -0.108 193 HA PRO 680 HA PRO 680 8.744 -2.720 -3.438 194 1HB PRO 680 2HB PRO 680 11.529 -3.400 -3.184 195 2HB PRO 680 1HB PRO 680 10.473 -3.644 -4.577 196 1HG PRO 680 2HG PRO 680 12.600 -1.732 -4.284 197 2HG PRO 680 1HG PRO 680 11.561 -2.000 -5.687 198 1HD PRO 680 2HD PRO 680 11.528 0.243 -3.890 199 2HD PRO 680 1HD PRO 680 10.434 -0.064 -5.261 200 H HIS 681 H HIS 681 7.929 -2.990 -1.362 201 HA HIS 681 HA HIS 681 9.894 -3.390 0.835 202 1HB HIS 681 2HB HIS 681 7.547 -1.465 0.840 203 2HB HIS 681 1HB HIS 681 8.467 -1.903 2.281 204 HD1 HIS 681 1HD HIS 681 11.319 -1.848 1.268 205 HD2 HIS 681 2HD HIS 681 8.520 1.055 0.209 206 HE1 HIS 681 1HE HIS 681 12.638 0.193 0.556 207 H THR 682 H THR 682 8.266 -3.929 2.913 208 HA THR 682 HA THR 682 6.418 -6.050 1.865 209 HB THR 682 HB THR 682 8.129 -5.906 4.369 210 HG1 THR 682 1HG THR 682 9.431 -6.432 2.731 211 1HG2 THR 682 1HG2 THR 682 7.293 -8.020 4.987 212 2HG2 THR 682 2HG2 THR 682 6.608 -8.314 3.389 213 3HG2 THR 682 3HG2 THR 682 5.852 -7.143 4.470 214 H SER 683 H SER 683 4.303 -5.834 2.462 215 HA SER 683 HA SER 683 3.524 -3.689 4.335 216 1HB SER 683 2HB SER 683 2.076 -5.643 2.530 217 2HB SER 683 1HB SER 683 1.224 -4.503 3.566 218 HG SER 683 HG SER 683 3.291 -3.537 1.959 219 H LEU 684 H LEU 684 2.600 -4.068 6.372 220 HA LEU 684 HA LEU 684 2.033 -6.862 7.198 221 1HB LEU 684 2HB LEU 684 3.693 -6.896 8.869 222 2HB LEU 684 1HB LEU 684 4.509 -6.104 7.524 223 HG LEU 684 HG LEU 684 3.232 -4.757 9.920 224 1HD1 LEU 684 1HD1 LEU 684 5.607 -3.899 10.174 225 2HD1 LEU 684 2HD1 LEU 684 6.078 -5.054 8.928 226 3HD1 LEU 684 3HD1 LEU 684 5.408 -5.628 10.455 227 1HD2 LEU 684 1HD2 LEU 684 4.253 -2.678 8.800 228 2HD2 LEU 684 2HD2 LEU 684 2.779 -3.322 8.077 229 3HD2 LEU 684 3HD2 LEU 684 4.343 -3.654 7.334 230 H ALA 685 H ALA 685 1.395 -6.695 9.721 231 HA ALA 685 HA ALA 685 -0.979 -5.103 9.878 232 1HB ALA 685 1HB ALA 685 0.521 -6.113 12.280 233 2HB ALA 685 2HB ALA 685 -0.121 -7.269 11.114 234 3HB ALA 685 3HB ALA 685 -1.211 -6.166 11.953 235 H GLY 686 H GLY 686 0.289 -3.025 9.209 236 1HA GLY 686 2HA GLY 686 0.411 -1.254 11.449 237 2HA GLY 686 1HA GLY 686 2.054 -1.684 10.969 238 H TRP 687 H TRP 687 1.512 -1.955 8.154 239 HA TRP 687 HA TRP 687 1.529 0.906 7.423 240 1HB TRP 687 2HB TRP 687 2.039 -1.728 6.026 241 2HB TRP 687 1HB TRP 687 2.039 -0.198 5.152 242 HD1 TRP 687 HD TRP 687 3.248 0.602 8.450 243 HE1 TRP 687 1HE TRP 687 5.823 0.675 8.544 244 HE3 TRP 687 3HE TRP 687 4.352 -1.741 4.052 245 HZ2 TRP 687 2HZ TRP 687 8.057 -0.154 6.959 246 HZ3 TRP 687 3HZ TRP 687 6.708 -2.086 3.368 247 HH2 TRP 687 HH TRP 687 8.561 -1.296 4.814 248 H GLU 688 H GLU 688 -1.027 -0.319 8.325 249 HA GLU 688 HA GLU 688 -2.631 -0.591 5.864 250 1HB GLU 688 2HB GLU 688 -3.904 -0.404 8.556 251 2HB GLU 688 1HB GLU 688 -4.212 -1.535 7.245 252 1HG GLU 688 2HG GLU 688 -1.870 -2.496 7.778 253 2HG GLU 688 1HG GLU 688 -2.006 -1.616 9.300 254 HA PRO 689 HA PRO 689 -4.461 3.479 7.693 255 1HB PRO 689 2HB PRO 689 -2.488 4.645 9.429 256 2HB PRO 689 1HB PRO 689 -4.101 4.066 9.858 257 1HG PRO 689 2HG PRO 689 -1.623 2.903 10.600 258 2HG PRO 689 1HG PRO 689 -3.234 2.229 10.865 259 1HD PRO 689 2HD PRO 689 -1.191 1.407 8.930 260 2HD PRO 689 1HD PRO 689 -2.681 0.561 9.407 261 H SER 690 H SER 690 -1.368 2.756 6.550 262 HA SER 690 HA SER 690 0.065 3.847 5.032 263 1HB SER 690 2HB SER 690 -1.061 5.118 3.457 264 2HB SER 690 1HB SER 690 -2.423 4.310 4.226 265 HG SER 690 HG SER 690 -3.016 6.146 5.105 266 H ASN 691 H ASN 691 0.515 4.456 7.721 267 HA ASN 691 HA ASN 691 0.564 7.356 8.136 268 1HB ASN 691 2HB ASN 691 1.841 6.631 10.183 269 2HB ASN 691 1HB ASN 691 0.297 5.800 9.992 270 1HD2 ASN 691 1HD2 ASN 691 0.332 3.523 9.525 271 2HD2 ASN 691 2HD2 ASN 691 1.764 2.613 9.526 272 H VAL 692 H VAL 692 2.331 5.405 6.144 273 HA VAL 692 HA VAL 692 4.797 7.090 6.438 274 HB VAL 692 HB VAL 692 5.940 5.025 5.516 275 1HG1 VAL 692 1HG1 VAL 692 5.318 5.651 8.072 276 2HG1 VAL 692 2HG1 VAL 692 6.237 4.210 7.637 277 3HG1 VAL 692 3HG1 VAL 692 4.505 4.091 7.943 278 1HG2 VAL 692 1HG2 VAL 692 4.723 2.952 5.422 279 2HG2 VAL 692 2HG2 VAL 692 3.776 4.133 4.519 280 3HG2 VAL 692 3HG2 VAL 692 3.299 3.688 6.157 281 HA PRO 693 HA PRO 693 2.616 7.745 2.316 282 1HB PRO 693 2HB PRO 693 3.548 10.459 2.527 283 2HB PRO 693 1HB PRO 693 1.884 9.869 2.590 284 1HG PRO 693 2HG PRO 693 3.504 10.865 4.759 285 2HG PRO 693 1HG PRO 693 1.818 10.342 4.804 286 1HD PRO 693 2HD PRO 693 4.079 8.993 5.927 287 2HD PRO 693 1HD PRO 693 2.402 8.400 5.851 288 H ALA 694 H ALA 694 5.781 8.091 3.643 289 HA ALA 694 HA ALA 694 7.305 9.104 1.498 290 1HB ALA 694 1HB ALA 694 9.105 8.185 2.681 291 2HB ALA 694 2HB ALA 694 8.202 6.733 3.116 292 3HB ALA 694 3HB ALA 694 7.864 8.259 3.933 293 H LEU 695 H LEU 695 5.911 5.880 1.965 294 HA LEU 695 HA LEU 695 6.733 5.222 -0.836 295 1HB LEU 695 2HB LEU 695 7.756 3.314 -0.116 296 2HB LEU 695 1HB LEU 695 7.837 4.167 1.417 297 HG LEU 695 HG LEU 695 6.994 1.989 1.897 298 1HD1 LEU 695 1HD1 LEU 695 5.571 4.225 2.565 299 2HD1 LEU 695 2HD1 LEU 695 5.251 2.614 3.195 300 3HD1 LEU 695 3HD1 LEU 695 4.328 3.222 1.827 301 1HD2 LEU 695 1HD2 LEU 695 4.565 2.011 0.287 302 2HD2 LEU 695 2HD2 LEU 695 5.795 0.756 0.444 303 3HD2 LEU 695 3HD2 LEU 695 6.020 2.071 -0.710 304 H TRP 696 H TRP 696 4.188 5.600 1.347 305 HA TRP 696 HA TRP 696 2.399 3.779 -0.224 306 1HB TRP 696 2HB TRP 696 2.621 4.672 2.601 307 2HB TRP 696 1HB TRP 696 0.979 4.524 1.977 308 HD1 TRP 696 HD TRP 696 3.010 2.539 3.947 309 HE1 TRP 696 1HE TRP 696 2.806 0.014 3.478 310 HE3 TRP 696 3HE TRP 696 0.812 2.672 -0.662 311 HZ2 TRP 696 2HZ TRP 696 1.835 -1.721 1.423 312 HZ3 TRP 696 3HZ TRP 696 0.258 0.568 -1.850 313 HH2 TRP 696 HH TRP 696 0.766 -1.626 -0.814 314 H GLN 697 H GLN 697 1.878 5.228 -1.942 315 HA GLN 697 HA GLN 697 0.718 7.878 -1.195 316 1HB GLN 697 2HB GLN 697 2.540 7.670 -2.903 317 2HB GLN 697 1HB GLN 697 1.457 6.685 -3.888 318 1HG GLN 697 2HG GLN 697 0.540 8.550 -4.745 319 2HG GLN 697 1HG GLN 697 0.043 9.047 -3.127 320 1HE2 GLN 697 1HE2 GLN 697 2.742 9.329 -2.033 321 2HE2 GLN 697 2HE2 GLN 697 3.444 10.683 -2.781 322 H LEU 698 H LEU 698 -1.476 7.705 -0.800 323 HA LEU 698 HA LEU 698 -3.071 5.648 -2.186 324 1HB LEU 698 2HB LEU 698 -4.687 6.159 -0.539 325 2HB LEU 698 1HB LEU 698 -3.159 6.438 0.294 326 HG LEU 698 HG LEU 698 -3.640 8.882 -0.902 327 1HD1 LEU 698 1HD1 LEU 698 -5.837 8.805 -1.522 328 2HD1 LEU 698 2HD1 LEU 698 -6.127 9.082 0.196 329 3HD1 LEU 698 3HD1 LEU 698 -6.191 7.445 -0.457 330 1HD2 LEU 698 1HD2 LEU 698 -4.838 8.852 1.708 331 2HD2 LEU 698 2HD2 LEU 698 -3.238 9.435 1.246 332 3HD2 LEU 698 3HD2 LEU 698 -3.463 7.747 1.708 333 H GLN 699 H GLN 699 -5.435 6.674 -2.745 334 HA GLN 699 HA GLN 699 -5.275 9.271 -4.115 335 1HB GLN 699 2HB GLN 699 -5.814 8.066 -6.336 336 2HB GLN 699 1HB GLN 699 -4.150 7.967 -5.758 337 1HG GLN 699 2HG GLN 699 -4.465 5.753 -4.927 338 2HG GLN 699 1HG GLN 699 -6.218 5.863 -5.096 339 1HE2 GLN 699 1HE2 GLN 699 -3.353 4.853 -6.687 340 2HE2 GLN 699 2HE2 GLN 699 -4.017 4.618 -8.230 Start of MODEL 26 1 HA ALA 655 HA ALA 655 -6.527 -5.172 -3.398 2 1HB ALA 655 1HB ALA 655 -8.348 -5.409 -2.080 3 2HB ALA 655 2HB ALA 655 -7.474 -6.494 -0.999 4 3HB ALA 655 3HB ALA 655 -8.297 -7.138 -2.419 5 H TRP 656 H TRP 656 -5.831 -4.504 -0.964 6 HA TRP 656 HA TRP 656 -3.033 -5.166 -0.714 7 1HB TRP 656 2HB TRP 656 -3.846 -3.010 -0.046 8 2HB TRP 656 1HB TRP 656 -5.069 -3.726 1.005 9 HD1 TRP 656 HD TRP 656 -1.288 -3.165 0.755 10 HE1 TRP 656 1HE TRP 656 -0.263 -3.404 3.108 11 HE3 TRP 656 3HE TRP 656 -5.395 -4.738 3.352 12 HZ2 TRP 656 2HZ TRP 656 -1.076 -4.165 5.744 13 HZ3 TRP 656 3HZ TRP 656 -5.241 -5.213 5.780 14 HH2 TRP 656 HH TRP 656 -3.089 -4.928 6.978 15 H GLN 657 H GLN 657 -2.017 -6.553 0.764 16 HA GLN 657 HA GLN 657 -3.778 -8.162 2.579 17 1HB GLN 657 2HB GLN 657 -1.494 -9.247 0.910 18 2HB GLN 657 1HB GLN 657 -2.717 -10.169 1.785 19 1HG GLN 657 2HG GLN 657 -4.308 -8.649 0.188 20 2HG GLN 657 1HG GLN 657 -2.892 -8.824 -0.850 21 1HE2 GLN 657 1HE2 GLN 657 -2.051 -11.219 -0.982 22 2HE2 GLN 657 2HE2 GLN 657 -3.242 -12.426 -1.071 23 H VAL 658 H VAL 658 -2.768 -8.739 4.556 24 HA VAL 658 HA VAL 658 -0.473 -7.127 5.362 25 HB VAL 658 HB VAL 658 -1.829 -9.408 6.820 26 1HG1 VAL 658 1HG1 VAL 658 0.307 -7.792 7.518 27 2HG1 VAL 658 2HG1 VAL 658 -0.724 -8.667 8.650 28 3HG1 VAL 658 3HG1 VAL 658 -1.066 -6.979 8.270 29 1HG2 VAL 658 1HG2 VAL 658 -2.843 -6.800 7.514 30 2HG2 VAL 658 2HG2 VAL 658 -3.732 -8.206 6.932 31 3HG2 VAL 658 3HG2 VAL 658 -3.038 -7.064 5.781 32 H ASN 659 H ASN 659 1.628 -7.888 5.843 33 HA ASN 659 HA ASN 659 3.498 -9.337 5.747 34 1HB ASN 659 2HB ASN 659 1.205 -10.826 6.585 35 2HB ASN 659 1HB ASN 659 2.139 -11.846 5.490 36 1HD2 ASN 659 1HD2 ASN 659 1.917 -10.884 8.721 37 2HD2 ASN 659 2HD2 ASN 659 3.487 -11.295 9.217 38 H THR 660 H THR 660 3.079 -8.213 3.365 39 HA THR 660 HA THR 660 3.387 -10.475 1.432 40 HB THR 660 HB THR 660 1.812 -7.957 0.854 41 HG1 THR 660 1HG THR 660 0.160 -8.794 1.830 42 1HG2 THR 660 1HG2 THR 660 2.569 -9.253 -1.082 43 2HG2 THR 660 2HG2 THR 660 0.823 -9.408 -0.899 44 3HG2 THR 660 3HG2 THR 660 1.883 -10.721 -0.388 45 H ALA 661 H ALA 661 4.450 -9.713 -0.619 46 HA ALA 661 HA ALA 661 6.398 -7.515 -0.034 47 1HB ALA 661 1HB ALA 661 7.950 -8.876 -1.026 48 2HB ALA 661 2HB ALA 661 6.831 -9.382 -2.292 49 3HB ALA 661 3HB ALA 661 6.767 -10.143 -0.702 50 H TYR 662 H TYR 662 5.994 -5.636 -1.132 51 HA TYR 662 HA TYR 662 4.584 -5.817 -3.776 52 1HB TYR 662 2HB TYR 662 4.572 -3.750 -1.559 53 2HB TYR 662 1HB TYR 662 3.837 -3.472 -3.138 54 HD1 TYR 662 1HD TYR 662 2.884 -4.119 0.015 55 HD2 TYR 662 2HD TYR 662 2.590 -5.961 -3.854 56 HE1 TYR 662 1HE TYR 662 0.846 -5.328 0.747 57 HE2 TYR 662 2HE TYR 662 0.552 -7.172 -3.123 58 HH TYR 662 HH TYR 662 -1.058 -7.257 -1.518 59 H THR 663 H THR 663 5.434 -4.534 -5.481 60 HA THR 663 HA THR 663 8.236 -3.601 -5.070 61 HB THR 663 HB THR 663 8.242 -3.699 -7.573 62 HG1 THR 663 1HG THR 663 5.783 -4.992 -7.509 63 1HG2 THR 663 1HG2 THR 663 7.506 -6.277 -7.568 64 2HG2 THR 663 2HG2 THR 663 7.542 -6.008 -5.825 65 3HG2 THR 663 3HG2 THR 663 8.991 -5.727 -6.790 66 H ALA 664 H ALA 664 8.785 -1.571 -6.443 67 HA ALA 664 HA ALA 664 7.184 0.644 -5.561 68 1HB ALA 664 1HB ALA 664 9.180 1.566 -6.060 69 2HB ALA 664 2HB ALA 664 8.808 1.379 -7.773 70 3HB ALA 664 3HB ALA 664 9.667 0.101 -6.912 71 H GLY 665 H GLY 665 5.543 1.751 -6.629 72 1HA GLY 665 2HA GLY 665 4.117 2.384 -8.415 73 2HA GLY 665 1HA GLY 665 5.070 1.365 -9.495 74 H GLN 666 H GLN 666 3.833 0.109 -6.476 75 HA GLN 666 HA GLN 666 2.288 -1.925 -7.958 76 1HB GLN 666 2HB GLN 666 3.833 -2.274 -5.943 77 2HB GLN 666 1HB GLN 666 2.572 -1.519 -4.969 78 1HG GLN 666 2HG GLN 666 2.468 -4.047 -5.048 79 2HG GLN 666 1HG GLN 666 0.986 -3.235 -5.551 80 1HE2 GLN 666 1HE2 GLN 666 3.724 -5.149 -6.694 81 2HE2 GLN 666 2HE2 GLN 666 3.119 -5.417 -8.256 82 H LEU 667 H LEU 667 0.030 -2.448 -6.946 83 HA LEU 667 HA LEU 667 -1.405 0.068 -6.194 84 1HB LEU 667 2HB LEU 667 -1.380 -0.804 -8.714 85 2HB LEU 667 1HB LEU 667 -2.644 -1.874 -8.105 86 HG LEU 667 HG LEU 667 -3.734 0.114 -8.919 87 1HD1 LEU 667 1HD1 LEU 667 -4.389 -0.855 -6.637 88 2HD1 LEU 667 2HD1 LEU 667 -4.916 0.795 -6.963 89 3HD1 LEU 667 3HD1 LEU 667 -3.518 0.504 -5.928 90 1HD2 LEU 667 1HD2 LEU 667 -2.714 2.150 -7.205 91 2HD2 LEU 667 2HD2 LEU 667 -2.604 2.063 -8.963 92 3HD2 LEU 667 3HD2 LEU 667 -1.330 1.363 -7.964 93 H VAL 668 H VAL 668 -1.938 -0.579 -4.091 94 HA VAL 668 HA VAL 668 -3.329 -3.217 -3.771 95 HB VAL 668 HB VAL 668 -2.515 -3.184 -1.533 96 1HG1 VAL 668 1HG1 VAL 668 -0.772 -3.007 -3.645 97 2HG1 VAL 668 2HG1 VAL 668 -0.296 -3.383 -1.989 98 3HG1 VAL 668 3HG1 VAL 668 -0.176 -1.728 -2.587 99 1HG2 VAL 668 1HG2 VAL 668 -2.110 -0.222 -2.014 100 2HG2 VAL 668 2HG2 VAL 668 -1.381 -1.061 -0.646 101 3HG2 VAL 668 3HG2 VAL 668 -3.137 -0.994 -0.804 102 H THR 669 H THR 669 -5.167 -3.119 -2.107 103 HA THR 669 HA THR 669 -6.452 -0.425 -1.977 104 HB THR 669 HB THR 669 -8.596 -1.883 -2.573 105 HG1 THR 669 1HG THR 669 -7.896 -3.440 -4.177 106 1HG2 THR 669 1HG2 THR 669 -6.517 -0.872 -4.525 107 2HG2 THR 669 2HG2 THR 669 -7.913 0.005 -3.901 108 3HG2 THR 669 3HG2 THR 669 -8.146 -1.353 -5.000 109 H TYR 670 H TYR 670 -6.799 -0.109 0.185 110 HA TYR 670 HA TYR 670 -7.111 -2.393 2.022 111 1HB TYR 670 2HB TYR 670 -7.086 0.626 2.318 112 2HB TYR 670 1HB TYR 670 -7.207 -0.484 3.683 113 HD1 TYR 670 1HD TYR 670 -5.061 0.485 0.794 114 HD2 TYR 670 2HD TYR 670 -5.292 -1.591 4.547 115 HE1 TYR 670 1HE TYR 670 -2.597 0.203 0.788 116 HE2 TYR 670 2HE TYR 670 -2.828 -1.874 4.543 117 HH TYR 670 HH TYR 670 -0.892 -1.084 1.752 118 H ASN 671 H ASN 671 -8.937 -1.323 3.863 119 HA ASN 671 HA ASN 671 -11.443 -2.220 3.048 120 1HB ASN 671 2HB ASN 671 -10.526 -0.073 4.965 121 2HB ASN 671 1HB ASN 671 -12.233 -0.495 4.822 122 1HD2 ASN 671 1HD2 ASN 671 -12.302 -3.207 4.626 123 2HD2 ASN 671 2HD2 ASN 671 -11.532 -3.949 5.945 124 H GLY 672 H GLY 672 -11.978 -1.549 0.895 125 1HA GLY 672 2HA GLY 672 -12.773 -0.091 -0.772 126 2HA GLY 672 1HA GLY 672 -13.525 0.775 0.569 127 H LYS 673 H LYS 673 -10.050 0.326 0.227 128 HA LYS 673 HA LYS 673 -9.789 3.281 -0.240 129 1HB LYS 673 2HB LYS 673 -8.905 1.547 1.864 130 2HB LYS 673 1HB LYS 673 -7.484 2.152 1.014 131 1HG LYS 673 2HG LYS 673 -8.322 3.615 2.926 132 2HG LYS 673 1HG LYS 673 -8.120 4.430 1.375 133 1HD LYS 673 2HD LYS 673 -10.325 4.887 1.221 134 2HD LYS 673 1HD LYS 673 -10.769 3.235 1.648 135 1HE LYS 673 2HE LYS 673 -10.103 3.907 4.076 136 2HE LYS 673 1HE LYS 673 -10.257 5.574 3.485 137 1HZ LYS 673 1HZ LYS 673 -12.332 4.104 4.317 138 2HZ LYS 673 2HZ LYS 673 -12.359 3.758 2.654 139 3HZ LYS 673 3HZ LYS 673 -12.463 5.366 3.191 140 H THR 674 H THR 674 -8.242 3.921 -1.763 141 HA THR 674 HA THR 674 -7.034 1.729 -3.404 142 HB THR 674 HB THR 674 -7.506 4.664 -4.030 143 HG1 THR 674 1HG THR 674 -9.422 3.398 -3.626 144 1HG2 THR 674 1HG2 THR 674 -7.222 2.444 -6.030 145 2HG2 THR 674 2HG2 THR 674 -5.780 3.165 -5.315 146 3HG2 THR 674 3HG2 THR 674 -6.907 4.167 -6.229 147 H TYR 675 H TYR 675 -4.862 1.432 -3.056 148 HA TYR 675 HA TYR 675 -3.216 3.822 -2.292 149 1HB TYR 675 2HB TYR 675 -3.524 1.099 -1.080 150 2HB TYR 675 1HB TYR 675 -1.952 1.895 -0.974 151 HD1 TYR 675 1HD TYR 675 -5.523 2.118 -0.048 152 HD2 TYR 675 2HD TYR 675 -1.630 3.879 0.366 153 HE1 TYR 675 1HE TYR 675 -6.359 3.526 1.813 154 HE2 TYR 675 2HE TYR 675 -2.465 5.290 2.224 155 HH TYR 675 HH TYR 675 -4.328 5.191 3.914 156 H LYS 676 H LYS 676 -0.946 3.625 -2.878 157 HA LYS 676 HA LYS 676 -0.289 1.501 -4.868 158 1HB LYS 676 2HB LYS 676 0.331 3.130 -6.494 159 2HB LYS 676 1HB LYS 676 -1.209 3.706 -5.854 160 1HG LYS 676 2HG LYS 676 0.096 5.129 -4.230 161 2HG LYS 676 1HG LYS 676 1.561 4.670 -5.097 162 1HD LYS 676 2HD LYS 676 -0.792 5.801 -6.587 163 2HD LYS 676 1HD LYS 676 0.352 6.874 -5.778 164 1HE LYS 676 2HE LYS 676 2.216 5.799 -7.042 165 2HE LYS 676 1HE LYS 676 1.021 4.814 -7.910 166 1HZ LYS 676 1HZ LYS 676 1.688 7.033 -8.956 167 2HZ LYS 676 2HZ LYS 676 0.755 7.753 -7.732 168 3HZ LYS 676 3HZ LYS 676 0.032 6.688 -8.841 169 H CYS 677 H CYS 677 1.850 0.840 -4.674 170 HA CYS 677 HA CYS 677 3.431 2.015 -2.466 171 1HB CYS 677 2HB CYS 677 2.949 -0.526 -3.430 172 2HB CYS 677 1HB CYS 677 4.557 -0.183 -4.069 173 HG CYS 677 HG CYS 677 4.801 0.629 -1.300 174 H LEU 678 H LEU 678 5.360 3.139 -2.781 175 HA LEU 678 HA LEU 678 6.055 3.794 -5.616 176 1HB LEU 678 2HB LEU 678 5.897 5.206 -3.052 177 2HB LEU 678 1HB LEU 678 7.408 5.520 -3.906 178 HG LEU 678 HG LEU 678 5.713 5.746 -5.977 179 1HD1 LEU 678 1HD1 LEU 678 3.560 6.246 -5.437 180 2HD1 LEU 678 2HD1 LEU 678 4.033 7.161 -4.006 181 3HD1 LEU 678 3HD1 LEU 678 3.924 5.403 -3.932 182 1HD2 LEU 678 1HD2 LEU 678 6.118 8.040 -5.848 183 2HD2 LEU 678 2HD2 LEU 678 7.363 7.418 -4.766 184 3HD2 LEU 678 3HD2 LEU 678 5.872 8.088 -4.103 185 H GLN 679 H GLN 679 7.099 1.948 -2.961 186 HA GLN 679 HA GLN 679 9.765 1.585 -4.238 187 1HB GLN 679 2HB GLN 679 9.187 2.306 -1.350 188 2HB GLN 679 1HB GLN 679 10.757 1.732 -1.912 189 1HG GLN 679 2HG GLN 679 10.896 3.619 -3.487 190 2HG GLN 679 1HG GLN 679 9.318 4.193 -2.946 191 1HE2 GLN 679 1HE2 GLN 679 12.274 3.035 -1.211 192 2HE2 GLN 679 2HE2 GLN 679 12.357 4.371 -0.167 193 HA PRO 680 HA PRO 680 8.825 -2.688 -3.556 194 1HB PRO 680 2HB PRO 680 11.597 -3.323 -3.114 195 2HB PRO 680 1HB PRO 680 10.647 -3.569 -4.581 196 1HG PRO 680 2HG PRO 680 12.705 -1.609 -4.104 197 2HG PRO 680 1HG PRO 680 11.799 -1.902 -5.590 198 1HD PRO 680 2HD PRO 680 11.559 0.345 -3.828 199 2HD PRO 680 1HD PRO 680 10.558 -0.016 -5.257 200 H HIS 681 H HIS 681 7.812 -2.508 -1.466 201 HA HIS 681 HA HIS 681 9.648 -3.063 0.837 202 1HB HIS 681 2HB HIS 681 7.283 -1.172 0.650 203 2HB HIS 681 1HB HIS 681 8.088 -1.591 2.162 204 HD1 HIS 681 1HD HIS 681 11.020 -1.614 0.978 205 HD2 HIS 681 2HD HIS 681 8.259 1.470 0.489 206 HE1 HIS 681 1HE HIS 681 12.361 0.473 0.478 207 H THR 682 H THR 682 8.471 -4.160 2.654 208 HA THR 682 HA THR 682 6.394 -6.011 1.570 209 HB THR 682 HB THR 682 8.359 -6.065 3.870 210 HG1 THR 682 1HG THR 682 9.060 -6.629 1.761 211 1HG2 THR 682 1HG2 THR 682 5.797 -7.307 3.792 212 2HG2 THR 682 2HG2 THR 682 7.083 -7.547 4.974 213 3HG2 THR 682 3HG2 THR 682 7.004 -8.567 3.538 214 H SER 683 H SER 683 4.305 -5.752 2.242 215 HA SER 683 HA SER 683 3.571 -3.719 4.195 216 1HB SER 683 2HB SER 683 1.337 -4.351 3.548 217 2HB SER 683 1HB SER 683 2.329 -4.463 2.097 218 HG SER 683 HG SER 683 2.173 -6.588 2.142 219 H LEU 684 H LEU 684 2.779 -4.076 6.314 220 HA LEU 684 HA LEU 684 2.729 -6.886 7.305 221 1HB LEU 684 2HB LEU 684 4.369 -6.477 8.925 222 2HB LEU 684 1HB LEU 684 4.972 -5.535 7.564 223 HG LEU 684 HG LEU 684 3.387 -4.490 9.931 224 1HD1 LEU 684 1HD1 LEU 684 6.165 -4.876 9.485 225 2HD1 LEU 684 2HD1 LEU 684 5.398 -4.022 10.824 226 3HD1 LEU 684 3HD1 LEU 684 5.865 -3.142 9.368 227 1HD2 LEU 684 1HD2 LEU 684 4.279 -3.178 7.352 228 2HD2 LEU 684 2HD2 LEU 684 3.867 -2.252 8.795 229 3HD2 LEU 684 3HD2 LEU 684 2.649 -3.258 8.016 230 H ALA 685 H ALA 685 2.031 -6.707 9.805 231 HA ALA 685 HA ALA 685 -0.619 -5.567 9.829 232 1HB ALA 685 1HB ALA 685 -0.022 -7.564 11.085 233 2HB ALA 685 2HB ALA 685 -0.486 -6.311 12.237 234 3HB ALA 685 3HB ALA 685 1.218 -6.680 11.973 235 H GLY 686 H GLY 686 0.139 -3.282 9.250 236 1HA GLY 686 2HA GLY 686 -0.101 -1.501 11.396 237 2HA GLY 686 1HA GLY 686 1.632 -1.733 11.175 238 H TRP 687 H TRP 687 1.159 -2.171 8.203 239 HA TRP 687 HA TRP 687 1.310 0.681 7.461 240 1HB TRP 687 2HB TRP 687 1.754 -1.991 6.134 241 2HB TRP 687 1HB TRP 687 1.720 -0.510 5.176 242 HD1 TRP 687 HD TRP 687 3.031 0.253 8.513 243 HE1 TRP 687 1HE TRP 687 5.603 0.427 8.475 244 HE3 TRP 687 3HE TRP 687 3.986 -1.794 3.934 245 HZ2 TRP 687 2HZ TRP 687 7.780 -0.219 6.733 246 HZ3 TRP 687 3HZ TRP 687 6.313 -2.003 3.111 247 HH2 TRP 687 HH TRP 687 8.210 -1.220 4.502 248 H GLU 688 H GLU 688 -1.308 -0.295 8.359 249 HA GLU 688 HA GLU 688 -2.919 -0.562 5.895 250 1HB GLU 688 2HB GLU 688 -4.226 -0.214 8.544 251 2HB GLU 688 1HB GLU 688 -4.539 -1.399 7.286 252 1HG GLU 688 2HG GLU 688 -2.298 -2.467 7.934 253 2HG GLU 688 1HG GLU 688 -2.356 -1.451 9.376 254 HA PRO 689 HA PRO 689 -4.531 3.654 7.599 255 1HB PRO 689 2HB PRO 689 -2.534 4.734 9.365 256 2HB PRO 689 1HB PRO 689 -4.188 4.257 9.763 257 1HG PRO 689 2HG PRO 689 -1.805 2.967 10.590 258 2HG PRO 689 1HG PRO 689 -3.458 2.384 10.811 259 1HD PRO 689 2HD PRO 689 -1.403 1.437 8.941 260 2HD PRO 689 1HD PRO 689 -2.942 0.668 9.397 261 H SER 690 H SER 690 -1.458 2.747 6.534 262 HA SER 690 HA SER 690 0.079 3.756 5.054 263 1HB SER 690 2HB SER 690 -0.948 5.039 3.420 264 2HB SER 690 1HB SER 690 -2.366 4.302 4.163 265 HG SER 690 HG SER 690 -2.426 6.646 3.898 266 H ASN 691 H ASN 691 0.591 4.358 7.674 267 HA ASN 691 HA ASN 691 0.647 7.247 8.151 268 1HB ASN 691 2HB ASN 691 1.976 6.466 10.155 269 2HB ASN 691 1HB ASN 691 0.407 5.680 9.982 270 1HD2 ASN 691 1HD2 ASN 691 0.401 3.411 9.807 271 2HD2 ASN 691 2HD2 ASN 691 1.798 2.465 9.616 272 H VAL 692 H VAL 692 2.313 5.560 5.945 273 HA VAL 692 HA VAL 692 4.788 7.208 6.319 274 HB VAL 692 HB VAL 692 5.951 5.165 5.290 275 1HG1 VAL 692 1HG1 VAL 692 5.157 3.923 7.691 276 2HG1 VAL 692 2HG1 VAL 692 5.010 5.656 7.983 277 3HG1 VAL 692 3HG1 VAL 692 6.550 4.978 7.452 278 1HG2 VAL 692 1HG2 VAL 692 4.000 4.025 4.395 279 2HG2 VAL 692 2HG2 VAL 692 3.258 3.959 5.993 280 3HG2 VAL 692 3HG2 VAL 692 4.706 3.012 5.653 281 HA PRO 693 HA PRO 693 2.699 7.998 2.222 282 1HB PRO 693 2HB PRO 693 3.763 10.661 2.453 283 2HB PRO 693 1HB PRO 693 2.074 10.153 2.540 284 1HG PRO 693 2HG PRO 693 3.748 11.069 4.684 285 2HG PRO 693 1HG PRO 693 2.060 10.561 4.766 286 1HD PRO 693 2HD PRO 693 4.374 9.163 5.767 287 2HD PRO 693 1HD PRO 693 2.672 8.641 5.830 288 H ALA 694 H ALA 694 5.905 8.331 3.523 289 HA ALA 694 HA ALA 694 7.376 9.221 1.268 290 1HB ALA 694 1HB ALA 694 8.520 7.046 2.932 291 2HB ALA 694 2HB ALA 694 7.886 8.429 3.825 292 3HB ALA 694 3HB ALA 694 9.147 8.664 2.615 293 H LEU 695 H LEU 695 6.075 6.019 2.055 294 HA LEU 695 HA LEU 695 6.910 5.107 -0.671 295 1HB LEU 695 2HB LEU 695 7.997 3.331 0.249 296 2HB LEU 695 1HB LEU 695 8.007 4.314 1.703 297 HG LEU 695 HG LEU 695 7.234 2.145 2.339 298 1HD1 LEU 695 1HD1 LEU 695 5.512 2.868 3.594 299 2HD1 LEU 695 2HD1 LEU 695 4.516 3.199 2.179 300 3HD1 LEU 695 3HD1 LEU 695 5.678 4.398 2.739 301 1HD2 LEU 695 1HD2 LEU 695 6.111 0.764 0.961 302 2HD2 LEU 695 2HD2 LEU 695 6.284 2.004 -0.281 303 3HD2 LEU 695 3HD2 LEU 695 4.829 1.949 0.714 304 H TRP 696 H TRP 696 4.365 5.550 1.542 305 HA TRP 696 HA TRP 696 2.620 3.623 0.051 306 1HB TRP 696 2HB TRP 696 2.990 4.395 2.864 307 2HB TRP 696 1HB TRP 696 1.302 4.371 2.364 308 HD1 TRP 696 HD TRP 696 3.318 2.189 4.103 309 HE1 TRP 696 1HE TRP 696 2.931 -0.298 3.543 310 HE3 TRP 696 3HE TRP 696 0.872 2.655 -0.360 311 HZ2 TRP 696 2HZ TRP 696 1.745 -1.878 1.479 312 HZ3 TRP 696 3HZ TRP 696 0.127 0.642 -1.599 313 HH2 TRP 696 HH TRP 696 0.560 -1.622 -0.686 314 H GLN 697 H GLN 697 1.919 5.047 -1.614 315 HA GLN 697 HA GLN 697 0.675 7.630 -0.781 316 1HB GLN 697 2HB GLN 697 2.320 7.711 -2.574 317 2HB GLN 697 1HB GLN 697 1.488 6.421 -3.445 318 1HG GLN 697 2HG GLN 697 -0.392 7.811 -3.909 319 2HG GLN 697 1HG GLN 697 0.135 9.034 -2.753 320 1HE2 GLN 697 1HE2 GLN 697 -0.362 9.740 -5.466 321 2HE2 GLN 697 2HE2 GLN 697 1.113 10.140 -6.204 322 H LEU 698 H LEU 698 -1.489 8.117 -1.820 323 HA LEU 698 HA LEU 698 -3.046 5.774 -2.726 324 1HB LEU 698 2HB LEU 698 -4.438 5.658 -0.839 325 2HB LEU 698 1HB LEU 698 -2.865 5.990 -0.119 326 HG LEU 698 HG LEU 698 -3.775 8.527 -0.617 327 1HD1 LEU 698 1HD1 LEU 698 -6.022 6.960 -1.011 328 2HD1 LEU 698 2HD1 LEU 698 -6.038 8.674 -0.594 329 3HD1 LEU 698 3HD1 LEU 698 -6.184 7.455 0.674 330 1HD2 LEU 698 1HD2 LEU 698 -3.521 8.696 1.637 331 2HD2 LEU 698 2HD2 LEU 698 -3.035 7.002 1.555 332 3HD2 LEU 698 3HD2 LEU 698 -4.700 7.422 1.953 333 H GLN 699 H GLN 699 -5.533 6.659 -2.789 334 HA GLN 699 HA GLN 699 -5.630 9.514 -3.587 335 1HB GLN 699 2HB GLN 699 -6.446 8.885 -5.849 336 2HB GLN 699 1HB GLN 699 -4.812 8.285 -5.563 337 1HG GLN 699 2HG GLN 699 -5.487 6.159 -5.850 338 2HG GLN 699 1HG GLN 699 -6.744 6.354 -4.628 339 1HE2 GLN 699 1HE2 GLN 699 -6.303 7.857 -7.884 340 2HE2 GLN 699 2HE2 GLN 699 -7.835 7.405 -8.458 Start of MODEL 27 1 HA ALA 655 HA ALA 655 -6.855 -7.084 -2.847 2 1HB ALA 655 1HB ALA 655 -7.140 -4.944 -4.344 3 2HB ALA 655 2HB ALA 655 -5.793 -6.039 -4.659 4 3HB ALA 655 3HB ALA 655 -5.523 -4.545 -3.762 5 H TRP 656 H TRP 656 -5.754 -4.444 -0.822 6 HA TRP 656 HA TRP 656 -2.986 -5.199 -0.602 7 1HB TRP 656 2HB TRP 656 -3.942 -3.018 0.058 8 2HB TRP 656 1HB TRP 656 -4.869 -3.808 1.333 9 HD1 TRP 656 HD TRP 656 -1.224 -3.127 0.298 10 HE1 TRP 656 1HE TRP 656 0.243 -3.175 2.419 11 HE3 TRP 656 3HE TRP 656 -4.706 -4.567 3.742 12 HZ2 TRP 656 2HZ TRP 656 -0.029 -3.751 5.211 13 HZ3 TRP 656 3HZ TRP 656 -4.079 -4.858 6.121 14 HH2 TRP 656 HH TRP 656 -1.746 -4.453 6.859 15 H GLN 657 H GLN 657 -2.149 -6.992 0.403 16 HA GLN 657 HA GLN 657 -3.878 -8.420 2.402 17 1HB GLN 657 2HB GLN 657 -1.718 -9.470 0.544 18 2HB GLN 657 1HB GLN 657 -2.751 -10.447 1.588 19 1HG GLN 657 2HG GLN 657 -4.400 -8.710 -0.001 20 2HG GLN 657 1HG GLN 657 -3.294 -9.586 -1.061 21 1HE2 GLN 657 1HE2 GLN 657 -3.443 -11.943 -1.105 22 2HE2 GLN 657 2HE2 GLN 657 -4.782 -12.756 -0.450 23 H VAL 658 H VAL 658 -3.056 -8.333 4.458 24 HA VAL 658 HA VAL 658 -0.600 -7.149 5.206 25 HB VAL 658 HB VAL 658 -1.108 -8.084 7.377 26 1HG1 VAL 658 1HG1 VAL 658 -3.891 -8.027 6.765 27 2HG1 VAL 658 2HG1 VAL 658 -3.090 -6.872 5.697 28 3HG1 VAL 658 3HG1 VAL 658 -2.904 -6.734 7.446 29 1HG2 VAL 658 1HG2 VAL 658 -2.966 -10.007 5.943 30 2HG2 VAL 658 2HG2 VAL 658 -2.622 -9.964 7.672 31 3HG2 VAL 658 3HG2 VAL 658 -1.361 -10.437 6.534 32 H ASN 659 H ASN 659 1.470 -8.002 5.581 33 HA ASN 659 HA ASN 659 3.248 -9.570 5.527 34 1HB ASN 659 2HB ASN 659 0.898 -10.970 6.285 35 2HB ASN 659 1HB ASN 659 1.701 -11.967 5.072 36 1HD2 ASN 659 1HD2 ASN 659 2.221 -13.488 6.904 37 2HD2 ASN 659 2HD2 ASN 659 3.537 -13.139 7.918 38 H THR 660 H THR 660 2.711 -8.246 3.190 39 HA THR 660 HA THR 660 3.157 -10.370 1.131 40 HB THR 660 HB THR 660 1.327 -7.957 0.909 41 HG1 THR 660 1HG THR 660 0.658 -10.704 0.923 42 1HG2 THR 660 1HG2 THR 660 2.547 -8.802 -1.181 43 2HG2 THR 660 2HG2 THR 660 0.787 -8.732 -1.272 44 3HG2 THR 660 3HG2 THR 660 1.596 -10.277 -1.006 45 H ALA 661 H ALA 661 4.791 -9.831 -0.304 46 HA ALA 661 HA ALA 661 6.353 -7.403 0.211 47 1HB ALA 661 1HB ALA 661 6.971 -9.912 -0.491 48 2HB ALA 661 2HB ALA 661 7.987 -8.552 -0.967 49 3HB ALA 661 3HB ALA 661 6.827 -9.229 -2.110 50 H TYR 662 H TYR 662 6.238 -5.524 -0.993 51 HA TYR 662 HA TYR 662 4.575 -5.593 -3.493 52 1HB TYR 662 2HB TYR 662 4.861 -3.612 -1.231 53 2HB TYR 662 1HB TYR 662 4.177 -3.136 -2.786 54 HD1 TYR 662 1HD TYR 662 3.209 -3.986 0.358 55 HD2 TYR 662 2HD TYR 662 2.540 -5.248 -3.692 56 HE1 TYR 662 1HE TYR 662 1.024 -4.956 1.022 57 HE2 TYR 662 2HE TYR 662 0.355 -6.218 -3.030 58 HH TYR 662 HH TYR 662 -1.225 -6.225 -1.373 59 H THR 663 H THR 663 5.322 -4.295 -5.248 60 HA THR 663 HA THR 663 8.221 -3.587 -5.102 61 HB THR 663 HB THR 663 7.025 -3.460 -7.730 62 HG1 THR 663 1HG THR 663 5.671 -5.035 -7.618 63 1HG2 THR 663 1HG2 THR 663 8.574 -5.734 -7.624 64 2HG2 THR 663 2HG2 THR 663 9.228 -4.771 -6.299 65 3HG2 THR 663 3HG2 THR 663 9.183 -4.109 -7.933 66 H ALA 664 H ALA 664 8.848 -1.567 -6.319 67 HA ALA 664 HA ALA 664 7.365 0.719 -5.434 68 1HB ALA 664 1HB ALA 664 9.773 0.051 -6.960 69 2HB ALA 664 2HB ALA 664 9.493 1.387 -5.841 70 3HB ALA 664 3HB ALA 664 9.003 1.532 -7.529 71 H GLY 665 H GLY 665 5.523 1.564 -6.323 72 1HA GLY 665 2HA GLY 665 4.219 2.455 -8.133 73 2HA GLY 665 1HA GLY 665 5.164 1.483 -9.261 74 H GLN 666 H GLN 666 3.885 0.038 -6.353 75 HA GLN 666 HA GLN 666 2.245 -1.786 -8.013 76 1HB GLN 666 2HB GLN 666 3.781 -1.900 -5.628 77 2HB GLN 666 1HB GLN 666 2.111 -2.238 -5.169 78 1HG GLN 666 2HG GLN 666 3.473 -3.590 -7.509 79 2HG GLN 666 1HG GLN 666 3.477 -4.266 -5.880 80 1HE2 GLN 666 1HE2 GLN 666 1.873 -4.608 -8.725 81 2HE2 GLN 666 2HE2 GLN 666 0.331 -5.026 -8.155 82 H LEU 667 H LEU 667 0.043 -2.402 -6.858 83 HA LEU 667 HA LEU 667 -1.307 0.089 -5.879 84 1HB LEU 667 2HB LEU 667 -1.501 -0.930 -8.421 85 2HB LEU 667 1HB LEU 667 -2.864 -1.718 -7.622 86 HG LEU 667 HG LEU 667 -2.329 1.264 -7.522 87 1HD1 LEU 667 1HD1 LEU 667 -4.149 1.485 -9.134 88 2HD1 LEU 667 2HD1 LEU 667 -4.375 -0.264 -9.160 89 3HD1 LEU 667 3HD1 LEU 667 -2.899 0.443 -9.814 90 1HD2 LEU 667 1HD2 LEU 667 -5.001 0.066 -7.003 91 2HD2 LEU 667 2HD2 LEU 667 -4.206 1.429 -6.212 92 3HD2 LEU 667 3HD2 LEU 667 -3.769 -0.223 -5.775 93 H VAL 668 H VAL 668 -2.584 -0.294 -4.103 94 HA VAL 668 HA VAL 668 -3.520 -3.088 -3.576 95 HB VAL 668 HB VAL 668 -2.641 -2.985 -1.354 96 1HG1 VAL 668 1HG1 VAL 668 -0.991 -3.144 -3.384 97 2HG1 VAL 668 2HG1 VAL 668 -0.337 -2.916 -1.762 98 3HG1 VAL 668 3HG1 VAL 668 -0.473 -1.541 -2.860 99 1HG2 VAL 668 1HG2 VAL 668 -1.950 -0.077 -1.886 100 2HG2 VAL 668 2HG2 VAL 668 -1.716 -0.951 -0.373 101 3HG2 VAL 668 3HG2 VAL 668 -3.347 -0.613 -0.953 102 H THR 669 H THR 669 -5.396 -3.125 -2.080 103 HA THR 669 HA THR 669 -6.721 -0.471 -1.682 104 HB THR 669 HB THR 669 -8.833 -1.688 -2.532 105 HG1 THR 669 1HG THR 669 -8.124 -3.355 -4.101 106 1HG2 THR 669 1HG2 THR 669 -8.436 -0.403 -4.328 107 2HG2 THR 669 2HG2 THR 669 -7.296 -1.599 -4.943 108 3HG2 THR 669 3HG2 THR 669 -6.734 -0.313 -3.876 109 H TYR 670 H TYR 670 -7.401 -0.352 0.423 110 HA TYR 670 HA TYR 670 -7.499 -2.806 2.063 111 1HB TYR 670 2HB TYR 670 -7.856 0.152 2.637 112 2HB TYR 670 1HB TYR 670 -7.805 -1.103 3.877 113 HD1 TYR 670 1HD TYR 670 -5.856 0.518 1.159 114 HD2 TYR 670 2HD TYR 670 -5.748 -2.108 4.555 115 HE1 TYR 670 1HE TYR 670 -3.375 0.546 1.104 116 HE2 TYR 670 2HE TYR 670 -3.272 -2.080 4.498 117 HH TYR 670 HH TYR 670 -1.512 -0.280 1.976 118 H ASN 671 H ASN 671 -9.444 -2.466 3.846 119 HA ASN 671 HA ASN 671 -11.790 -3.504 3.010 120 1HB ASN 671 2HB ASN 671 -11.587 -1.107 4.858 121 2HB ASN 671 1HB ASN 671 -12.838 -2.350 4.892 122 1HD2 ASN 671 1HD2 ASN 671 -9.917 -1.472 6.325 123 2HD2 ASN 671 2HD2 ASN 671 -9.456 -2.991 6.925 124 H GLY 672 H GLY 672 -11.095 -0.002 2.777 125 1HA GLY 672 2HA GLY 672 -12.891 0.183 0.455 126 2HA GLY 672 1HA GLY 672 -13.404 1.102 1.873 127 H LYS 673 H LYS 673 -10.098 0.520 0.703 128 HA LYS 673 HA LYS 673 -9.866 3.433 0.060 129 1HB LYS 673 2HB LYS 673 -7.879 1.866 1.723 130 2HB LYS 673 1HB LYS 673 -7.954 3.615 1.503 131 1HG LYS 673 2HG LYS 673 -10.418 3.242 2.485 132 2HG LYS 673 1HG LYS 673 -9.632 1.845 3.222 133 1HD LYS 673 2HD LYS 673 -7.969 3.247 4.273 134 2HD LYS 673 1HD LYS 673 -8.542 4.666 3.395 135 1HE LYS 673 2HE LYS 673 -10.698 4.561 4.569 136 2HE LYS 673 1HE LYS 673 -10.179 3.091 5.417 137 1HZ LYS 673 1HZ LYS 673 -9.430 4.590 6.919 138 2HZ LYS 673 2HZ LYS 673 -9.307 5.848 5.784 139 3HZ LYS 673 3HZ LYS 673 -8.095 4.661 5.874 140 H THR 674 H THR 674 -7.755 3.858 -1.126 141 HA THR 674 HA THR 674 -6.702 1.454 -2.560 142 HB THR 674 HB THR 674 -7.655 4.038 -3.839 143 HG1 THR 674 1HG THR 674 -9.427 2.899 -3.185 144 1HG2 THR 674 1HG2 THR 674 -6.270 3.302 -5.475 145 2HG2 THR 674 2HG2 THR 674 -7.527 2.103 -5.782 146 3HG2 THR 674 3HG2 THR 674 -6.144 1.691 -4.769 147 H TYR 675 H TYR 675 -4.483 1.536 -2.503 148 HA TYR 675 HA TYR 675 -3.186 4.236 -2.301 149 1HB TYR 675 2HB TYR 675 -2.533 1.590 -0.973 150 2HB TYR 675 1HB TYR 675 -1.496 3.014 -0.882 151 HD1 TYR 675 1HD TYR 675 -2.117 4.948 0.442 152 HD2 TYR 675 2HD TYR 675 -4.766 1.588 0.075 153 HE1 TYR 675 1HE TYR 675 -3.500 5.832 2.301 154 HE2 TYR 675 2HE TYR 675 -6.145 2.471 1.932 155 HH TYR 675 HH TYR 675 -5.313 4.379 4.096 156 H LYS 676 H LYS 676 -0.706 3.930 -2.862 157 HA LYS 676 HA LYS 676 -0.365 2.002 -5.122 158 1HB LYS 676 2HB LYS 676 -0.714 4.882 -5.202 159 2HB LYS 676 1HB LYS 676 0.849 4.427 -5.881 160 1HG LYS 676 2HG LYS 676 -0.402 4.102 -7.773 161 2HG LYS 676 1HG LYS 676 -0.708 2.535 -7.024 162 1HD LYS 676 2HD LYS 676 -2.824 3.188 -6.227 163 2HD LYS 676 1HD LYS 676 -2.461 4.905 -6.404 164 1HE LYS 676 2HE LYS 676 -2.329 4.507 -8.919 165 2HE LYS 676 1HE LYS 676 -3.019 2.900 -8.611 166 1HZ LYS 676 1HZ LYS 676 -4.208 5.551 -8.098 167 2HZ LYS 676 2HZ LYS 676 -4.698 4.205 -7.185 168 3HZ LYS 676 3HZ LYS 676 -4.896 4.207 -8.871 169 H CYS 677 H CYS 677 1.309 0.804 -4.194 170 HA CYS 677 HA CYS 677 3.319 1.716 -2.429 171 1HB CYS 677 2HB CYS 677 2.839 -0.630 -2.879 172 2HB CYS 677 1HB CYS 677 3.318 -0.438 -4.566 173 HG CYS 677 HG CYS 677 5.261 -1.360 -2.774 174 H LEU 678 H LEU 678 5.295 2.757 -2.758 175 HA LEU 678 HA LEU 678 5.919 3.584 -5.575 176 1HB LEU 678 2HB LEU 678 5.158 5.393 -4.103 177 2HB LEU 678 1HB LEU 678 6.376 4.954 -2.905 178 HG LEU 678 HG LEU 678 7.617 5.318 -5.488 179 1HD1 LEU 678 1HD1 LEU 678 6.047 7.678 -4.405 180 2HD1 LEU 678 2HD1 LEU 678 5.692 6.819 -5.903 181 3HD1 LEU 678 3HD1 LEU 678 7.194 7.729 -5.744 182 1HD2 LEU 678 1HD2 LEU 678 8.246 5.624 -2.829 183 2HD2 LEU 678 2HD2 LEU 678 8.077 7.301 -3.352 184 3HD2 LEU 678 3HD2 LEU 678 9.225 6.236 -4.163 185 H GLN 679 H GLN 679 7.104 2.038 -2.696 186 HA GLN 679 HA GLN 679 9.776 1.731 -4.013 187 1HB GLN 679 2HB GLN 679 9.009 2.676 -1.268 188 2HB GLN 679 1HB GLN 679 10.537 1.820 -1.482 189 1HG GLN 679 2HG GLN 679 9.946 3.966 -3.450 190 2HG GLN 679 1HG GLN 679 10.306 4.491 -1.804 191 1HE2 GLN 679 1HE2 GLN 679 12.258 2.818 -0.915 192 2HE2 GLN 679 2HE2 GLN 679 13.612 2.837 -1.937 193 HA PRO 680 HA PRO 680 9.100 -2.589 -3.318 194 1HB PRO 680 2HB PRO 680 11.899 -3.055 -2.841 195 2HB PRO 680 1HB PRO 680 10.983 -3.355 -4.321 196 1HG PRO 680 2HG PRO 680 12.921 -1.286 -3.822 197 2HG PRO 680 1HG PRO 680 12.037 -1.616 -5.315 198 1HD PRO 680 2HD PRO 680 11.665 0.594 -3.518 199 2HD PRO 680 1HD PRO 680 10.717 0.213 -4.976 200 H HIS 681 H HIS 681 8.096 -2.782 -1.290 201 HA HIS 681 HA HIS 681 9.902 -3.201 1.036 202 1HB HIS 681 2HB HIS 681 7.659 -1.182 0.798 203 2HB HIS 681 1HB HIS 681 8.296 -1.707 2.357 204 HD1 HIS 681 1HD HIS 681 11.303 -1.895 1.566 205 HD2 HIS 681 2HD HIS 681 8.846 1.353 0.676 206 HE1 HIS 681 1HE HIS 681 12.837 0.089 1.215 207 H THR 682 H THR 682 8.558 -4.109 2.925 208 HA THR 682 HA THR 682 6.511 -5.986 1.818 209 HB THR 682 HB THR 682 8.453 -6.006 4.129 210 HG1 THR 682 1HG THR 682 7.986 -7.447 1.774 211 1HG2 THR 682 1HG2 THR 682 6.638 -6.933 5.251 212 2HG2 THR 682 2HG2 THR 682 7.332 -8.366 4.494 213 3HG2 THR 682 3HG2 THR 682 5.927 -7.582 3.773 214 H SER 683 H SER 683 4.407 -5.699 2.443 215 HA SER 683 HA SER 683 3.771 -3.664 4.493 216 1HB SER 683 2HB SER 683 1.986 -3.397 3.128 217 2HB SER 683 1HB SER 683 2.669 -4.633 2.077 218 HG SER 683 HG SER 683 0.986 -5.071 4.328 219 H LEU 684 H LEU 684 2.771 -4.169 6.473 220 HA LEU 684 HA LEU 684 1.944 -6.951 7.020 221 1HB LEU 684 2HB LEU 684 3.512 -6.919 9.067 222 2HB LEU 684 1HB LEU 684 4.253 -7.176 7.493 223 HG LEU 684 HG LEU 684 5.419 -5.511 9.042 224 1HD1 LEU 684 1HD1 LEU 684 5.168 -5.600 6.294 225 2HD1 LEU 684 2HD1 LEU 684 6.336 -4.621 7.183 226 3HD1 LEU 684 3HD1 LEU 684 4.806 -3.913 6.663 227 1HD2 LEU 684 1HD2 LEU 684 3.178 -4.445 9.702 228 2HD2 LEU 684 2HD2 LEU 684 3.237 -3.622 8.145 229 3HD2 LEU 684 3HD2 LEU 684 4.504 -3.340 9.336 230 H ALA 685 H ALA 685 1.709 -6.832 9.759 231 HA ALA 685 HA ALA 685 -0.652 -5.274 10.159 232 1HB ALA 685 1HB ALA 685 -0.686 -6.639 11.961 233 2HB ALA 685 2HB ALA 685 0.770 -5.882 12.605 234 3HB ALA 685 3HB ALA 685 0.903 -7.233 11.479 235 H GLY 686 H GLY 686 0.099 -3.111 9.418 236 1HA GLY 686 2HA GLY 686 0.526 -1.238 11.413 237 2HA GLY 686 1HA GLY 686 2.154 -1.700 10.913 238 H TRP 687 H TRP 687 1.572 -2.153 8.146 239 HA TRP 687 HA TRP 687 1.517 0.648 7.217 240 1HB TRP 687 2HB TRP 687 2.185 -2.071 6.126 241 2HB TRP 687 1HB TRP 687 1.898 -0.746 4.998 242 HD1 TRP 687 HD TRP 687 3.349 0.265 8.288 243 HE1 TRP 687 1HE TRP 687 5.830 0.899 7.999 244 HE3 TRP 687 3HE TRP 687 4.130 -1.398 3.526 245 HZ2 TRP 687 2HZ TRP 687 7.877 0.726 6.007 246 HZ3 TRP 687 3HZ TRP 687 6.351 -1.150 2.456 247 HH2 TRP 687 HH TRP 687 8.224 -0.092 3.690 248 H GLU 688 H GLU 688 -1.005 -0.512 8.246 249 HA GLU 688 HA GLU 688 -2.626 -0.988 5.824 250 1HB GLU 688 2HB GLU 688 -3.957 -0.686 8.453 251 2HB GLU 688 1HB GLU 688 -4.117 -1.959 7.253 252 1HG GLU 688 2HG GLU 688 -1.783 -2.740 7.975 253 2HG GLU 688 1HG GLU 688 -1.969 -1.661 9.359 254 HA PRO 689 HA PRO 689 -4.602 3.095 7.459 255 1HB PRO 689 2HB PRO 689 -2.679 4.412 9.143 256 2HB PRO 689 1HB PRO 689 -4.271 3.793 9.593 257 1HG PRO 689 2HG PRO 689 -1.756 2.755 10.392 258 2HG PRO 689 1HG PRO 689 -3.342 2.035 10.680 259 1HD PRO 689 2HD PRO 689 -1.261 1.203 8.792 260 2HD PRO 689 1HD PRO 689 -2.724 0.325 9.298 261 H SER 690 H SER 690 -1.466 2.471 6.350 262 HA SER 690 HA SER 690 -0.116 3.568 4.751 263 1HB SER 690 2HB SER 690 -1.355 4.699 3.158 264 2HB SER 690 1HB SER 690 -2.680 3.946 4.040 265 HG SER 690 HG SER 690 -1.741 6.593 4.090 266 H ASN 691 H ASN 691 0.425 4.233 7.379 267 HA ASN 691 HA ASN 691 0.366 7.152 7.739 268 1HB ASN 691 2HB ASN 691 1.541 6.520 9.854 269 2HB ASN 691 1HB ASN 691 0.051 5.609 9.609 270 1HD2 ASN 691 1HD2 ASN 691 0.244 3.362 9.712 271 2HD2 ASN 691 2HD2 ASN 691 1.707 2.510 9.595 272 H VAL 692 H VAL 692 2.046 5.663 5.545 273 HA VAL 692 HA VAL 692 4.550 7.209 6.091 274 HB VAL 692 HB VAL 692 5.736 5.181 5.064 275 1HG1 VAL 692 1HG1 VAL 692 5.006 5.766 7.681 276 2HG1 VAL 692 2HG1 VAL 692 6.201 4.564 7.191 277 3HG1 VAL 692 3HG1 VAL 692 4.532 4.078 7.492 278 1HG2 VAL 692 1HG2 VAL 692 3.053 3.914 5.697 279 2HG2 VAL 692 2HG2 VAL 692 4.503 3.049 5.191 280 3HG2 VAL 692 3HG2 VAL 692 3.707 4.164 4.080 281 HA PRO 693 HA PRO 693 2.625 8.122 1.944 282 1HB PRO 693 2HB PRO 693 3.719 10.761 2.282 283 2HB PRO 693 1HB PRO 693 2.021 10.277 2.293 284 1HG PRO 693 2HG PRO 693 3.630 11.113 4.521 285 2HG PRO 693 1HG PRO 693 1.931 10.631 4.527 286 1HD PRO 693 2HD PRO 693 4.180 9.170 5.577 287 2HD PRO 693 1HD PRO 693 2.470 8.673 5.559 288 H ALA 694 H ALA 694 5.776 8.231 3.351 289 HA ALA 694 HA ALA 694 7.332 9.191 1.148 290 1HB ALA 694 1HB ALA 694 7.686 8.159 3.744 291 2HB ALA 694 2HB ALA 694 8.942 8.812 2.691 292 3HB ALA 694 3HB ALA 694 8.601 7.081 2.689 293 H LEU 695 H LEU 695 6.145 5.942 1.984 294 HA LEU 695 HA LEU 695 7.100 5.001 -0.693 295 1HB LEU 695 2HB LEU 695 7.921 3.158 0.361 296 2HB LEU 695 1HB LEU 695 7.777 4.123 1.822 297 HG LEU 695 HG LEU 695 6.763 1.991 2.259 298 1HD1 LEU 695 1HD1 LEU 695 5.009 2.889 3.331 299 2HD1 LEU 695 2HD1 LEU 695 4.183 3.252 1.816 300 3HD1 LEU 695 3HD1 LEU 695 5.353 4.390 2.477 301 1HD2 LEU 695 1HD2 LEU 695 4.578 2.034 0.356 302 2HD2 LEU 695 2HD2 LEU 695 5.759 0.761 0.667 303 3HD2 LEU 695 3HD2 LEU 695 6.132 2.048 -0.479 304 H TRP 696 H TRP 696 4.352 5.626 1.247 305 HA TRP 696 HA TRP 696 2.623 3.830 -0.404 306 1HB TRP 696 2HB TRP 696 2.650 4.910 2.332 307 2HB TRP 696 1HB TRP 696 1.070 5.011 1.558 308 HD1 TRP 696 HD TRP 696 2.305 2.890 3.891 309 HE1 TRP 696 1HE TRP 696 1.767 0.397 3.523 310 HE3 TRP 696 3HE TRP 696 1.101 2.978 -1.070 311 HZ2 TRP 696 2HZ TRP 696 0.931 -1.332 1.400 312 HZ3 TRP 696 3HZ TRP 696 0.438 0.897 -2.239 313 HH2 TRP 696 HH TRP 696 0.352 -1.255 -1.011 314 H GLN 697 H GLN 697 1.884 4.889 -2.221 315 HA GLN 697 HA GLN 697 1.350 7.820 -2.076 316 1HB GLN 697 2HB GLN 697 2.775 6.959 -3.879 317 2HB GLN 697 1HB GLN 697 1.512 5.827 -4.362 318 1HG GLN 697 2HG GLN 697 1.269 7.648 -5.860 319 2HG GLN 697 1HG GLN 697 0.012 7.904 -4.650 320 1HE2 GLN 697 1HE2 GLN 697 0.732 10.191 -5.934 321 2HE2 GLN 697 2HE2 GLN 697 1.744 11.159 -4.973 322 H LEU 698 H LEU 698 -0.665 7.596 -0.843 323 HA LEU 698 HA LEU 698 -2.861 5.944 -1.682 324 1HB LEU 698 2HB LEU 698 -2.792 6.762 0.549 325 2HB LEU 698 1HB LEU 698 -2.535 8.423 0.013 326 HG LEU 698 HG LEU 698 -4.810 8.394 -1.025 327 1HD1 LEU 698 1HD1 LEU 698 -6.138 6.539 -1.032 328 2HD1 LEU 698 2HD1 LEU 698 -5.599 6.025 0.565 329 3HD1 LEU 698 3HD1 LEU 698 -4.608 5.682 -0.853 330 1HD2 LEU 698 1HD2 LEU 698 -5.950 7.989 1.398 331 2HD2 LEU 698 2HD2 LEU 698 -5.013 9.433 1.012 332 3HD2 LEU 698 3HD2 LEU 698 -4.258 8.097 1.883 333 H GLN 699 H GLN 699 -4.871 6.676 -2.686 334 HA GLN 699 HA GLN 699 -4.457 8.966 -4.586 335 1HB GLN 699 2HB GLN 699 -5.770 7.666 -6.152 336 2HB GLN 699 1HB GLN 699 -4.542 6.596 -5.476 337 1HG GLN 699 2HG GLN 699 -6.148 5.216 -4.721 338 2HG GLN 699 1HG GLN 699 -6.822 6.528 -3.752 339 1HE2 GLN 699 1HE2 GLN 699 -8.004 8.249 -5.412 340 2HE2 GLN 699 2HE2 GLN 699 -9.108 7.502 -6.464 Start of MODEL 28 1 HA ALA 655 HA ALA 655 -7.154 -5.080 -2.169 2 1HB ALA 655 1HB ALA 655 -7.892 -7.078 -2.943 3 2HB ALA 655 2HB ALA 655 -6.314 -7.724 -2.494 4 3HB ALA 655 3HB ALA 655 -6.600 -7.161 -4.141 5 H TRP 656 H TRP 656 -5.837 -4.387 -0.509 6 HA TRP 656 HA TRP 656 -2.969 -5.081 -0.466 7 1HB TRP 656 2HB TRP 656 -3.821 -2.834 0.127 8 2HB TRP 656 1HB TRP 656 -4.760 -3.542 1.443 9 HD1 TRP 656 HD TRP 656 -1.165 -2.790 0.383 10 HE1 TRP 656 1HE TRP 656 0.357 -2.940 2.458 11 HE3 TRP 656 3HE TRP 656 -4.502 -4.603 3.799 12 HZ2 TRP 656 2HZ TRP 656 0.183 -3.723 5.205 13 HZ3 TRP 656 3HZ TRP 656 -3.797 -5.042 6.134 14 HH2 TRP 656 HH TRP 656 -1.462 -4.604 6.841 15 H GLN 657 H GLN 657 -2.008 -6.409 1.142 16 HA GLN 657 HA GLN 657 -3.795 -7.785 3.088 17 1HB GLN 657 2HB GLN 657 -2.077 -9.111 0.964 18 2HB GLN 657 1HB GLN 657 -2.889 -9.976 2.271 19 1HG GLN 657 2HG GLN 657 -5.067 -9.213 1.470 20 2HG GLN 657 1HG GLN 657 -4.294 -8.251 0.211 21 1HE2 GLN 657 1HE2 GLN 657 -4.210 -11.676 1.375 22 2HE2 GLN 657 2HE2 GLN 657 -4.183 -12.352 -0.182 23 H VAL 658 H VAL 658 -2.562 -8.802 4.830 24 HA VAL 658 HA VAL 658 -0.068 -7.412 5.449 25 HB VAL 658 HB VAL 658 -0.269 -8.735 7.539 26 1HG1 VAL 658 1HG1 VAL 658 -2.598 -7.962 8.148 27 2HG1 VAL 658 2HG1 VAL 658 -2.821 -7.513 6.458 28 3HG1 VAL 658 3HG1 VAL 658 -1.583 -6.715 7.425 29 1HG2 VAL 658 1HG2 VAL 658 -2.821 -9.962 7.005 30 2HG2 VAL 658 2HG2 VAL 658 -1.324 -10.725 7.540 31 3HG2 VAL 658 3HG2 VAL 658 -1.644 -10.523 5.818 32 H ASN 659 H ASN 659 2.000 -8.454 5.754 33 HA ASN 659 HA ASN 659 3.710 -10.015 5.259 34 1HB ASN 659 2HB ASN 659 1.295 -11.449 5.896 35 2HB ASN 659 1HB ASN 659 2.162 -12.316 4.628 36 1HD2 ASN 659 1HD2 ASN 659 1.932 -12.165 7.929 37 2HD2 ASN 659 2HD2 ASN 659 3.503 -12.650 8.350 38 H THR 660 H THR 660 3.022 -8.361 3.170 39 HA THR 660 HA THR 660 3.155 -10.213 0.816 40 HB THR 660 HB THR 660 1.641 -7.589 0.940 41 HG1 THR 660 1HG THR 660 -0.195 -9.083 0.991 42 1HG2 THR 660 1HG2 THR 660 1.687 -9.906 -1.012 43 2HG2 THR 660 2HG2 THR 660 2.242 -8.258 -1.309 44 3HG2 THR 660 3HG2 THR 660 0.524 -8.581 -1.079 45 H ALA 661 H ALA 661 4.928 -9.758 -0.433 46 HA ALA 661 HA ALA 661 6.557 -7.376 0.143 47 1HB ALA 661 1HB ALA 661 6.855 -10.020 -0.928 48 2HB ALA 661 2HB ALA 661 8.123 -8.881 -0.478 49 3HB ALA 661 3HB ALA 661 7.469 -8.869 -2.115 50 H TYR 662 H TYR 662 5.854 -5.478 -0.796 51 HA TYR 662 HA TYR 662 4.613 -5.572 -3.506 52 1HB TYR 662 2HB TYR 662 4.786 -3.559 -1.254 53 2HB TYR 662 1HB TYR 662 4.145 -3.129 -2.839 54 HD1 TYR 662 1HD TYR 662 2.988 -3.750 0.233 55 HD2 TYR 662 2HD TYR 662 2.668 -5.466 -3.692 56 HE1 TYR 662 1HE TYR 662 0.799 -4.743 0.845 57 HE2 TYR 662 2HE TYR 662 0.480 -6.459 -3.079 58 HH TYR 662 HH TYR 662 -1.352 -5.982 -1.422 59 H THR 663 H THR 663 5.427 -4.208 -5.197 60 HA THR 663 HA THR 663 8.314 -3.484 -4.894 61 HB THR 663 HB THR 663 8.428 -3.865 -7.267 62 HG1 THR 663 1HG THR 663 5.678 -3.487 -7.049 63 1HG2 THR 663 1HG2 THR 663 7.359 -5.815 -5.476 64 2HG2 THR 663 2HG2 THR 663 8.363 -6.078 -6.901 65 3HG2 THR 663 3HG2 THR 663 6.607 -6.051 -7.052 66 H ALA 664 H ALA 664 8.890 -1.532 -6.405 67 HA ALA 664 HA ALA 664 7.399 0.777 -5.535 68 1HB ALA 664 1HB ALA 664 9.578 1.327 -5.966 69 2HB ALA 664 2HB ALA 664 8.964 1.643 -7.589 70 3HB ALA 664 3HB ALA 664 9.738 0.100 -7.223 71 H GLY 665 H GLY 665 5.638 1.727 -6.502 72 1HA GLY 665 2HA GLY 665 4.253 2.447 -8.305 73 2HA GLY 665 1HA GLY 665 5.191 1.428 -9.398 74 H GLN 666 H GLN 666 3.912 0.159 -6.391 75 HA GLN 666 HA GLN 666 2.314 -1.799 -7.931 76 1HB GLN 666 2HB GLN 666 3.834 -1.767 -5.570 77 2HB GLN 666 1HB GLN 666 2.164 -1.941 -5.028 78 1HG GLN 666 2HG GLN 666 2.964 -3.605 -7.356 79 2HG GLN 666 1HG GLN 666 3.674 -4.044 -5.803 80 1HE2 GLN 666 1HE2 GLN 666 1.810 -5.796 -7.018 81 2HE2 GLN 666 2HE2 GLN 666 0.375 -5.793 -6.113 82 H LEU 667 H LEU 667 0.152 -2.344 -6.457 83 HA LEU 667 HA LEU 667 -1.234 0.162 -5.689 84 1HB LEU 667 2HB LEU 667 -1.323 -0.248 -8.222 85 2HB LEU 667 1HB LEU 667 -2.337 -1.643 -7.852 86 HG LEU 667 HG LEU 667 -2.933 1.179 -6.921 87 1HD1 LEU 667 1HD1 LEU 667 -3.375 -0.152 -9.482 88 2HD1 LEU 667 2HD1 LEU 667 -3.601 1.542 -9.048 89 3HD1 LEU 667 3HD1 LEU 667 -4.887 0.375 -8.740 90 1HD2 LEU 667 1HD2 LEU 667 -4.251 -0.026 -5.507 91 2HD2 LEU 667 2HD2 LEU 667 -4.097 -1.497 -6.468 92 3HD2 LEU 667 3HD2 LEU 667 -5.270 -0.262 -6.927 93 H VAL 668 H VAL 668 -2.584 -0.285 -3.996 94 HA VAL 668 HA VAL 668 -3.696 -3.051 -3.726 95 HB VAL 668 HB VAL 668 -2.922 -3.182 -1.478 96 1HG1 VAL 668 1HG1 VAL 668 -1.157 -3.219 -3.406 97 2HG1 VAL 668 2HG1 VAL 668 -0.592 -3.143 -1.736 98 3HG1 VAL 668 3HG1 VAL 668 -0.630 -1.681 -2.722 99 1HG2 VAL 668 1HG2 VAL 668 -3.530 -0.994 -0.670 100 2HG2 VAL 668 2HG2 VAL 668 -2.382 -0.210 -1.755 101 3HG2 VAL 668 3HG2 VAL 668 -1.797 -1.174 -0.399 102 H THR 669 H THR 669 -5.477 -3.010 -1.953 103 HA THR 669 HA THR 669 -6.789 -0.334 -1.776 104 HB THR 669 HB THR 669 -8.924 -1.490 -2.461 105 HG1 THR 669 1HG THR 669 -8.627 -3.516 -3.500 106 1HG2 THR 669 1HG2 THR 669 -7.061 -0.336 -4.003 107 2HG2 THR 669 2HG2 THR 669 -8.521 -1.057 -4.679 108 3HG2 THR 669 3HG2 THR 669 -7.006 -1.960 -4.689 109 H TYR 670 H TYR 670 -7.181 -0.004 0.374 110 HA TYR 670 HA TYR 670 -7.384 -2.311 2.218 111 1HB TYR 670 2HB TYR 670 -7.342 0.705 2.553 112 2HB TYR 670 1HB TYR 670 -7.391 -0.430 3.901 113 HD1 TYR 670 1HD TYR 670 -5.436 -1.605 4.612 114 HD2 TYR 670 2HD TYR 670 -5.389 0.669 0.972 115 HE1 TYR 670 1HE TYR 670 -2.972 -1.859 4.485 116 HE2 TYR 670 2HE TYR 670 -2.925 0.423 0.845 117 HH TYR 670 HH TYR 670 -1.153 -0.762 1.672 118 H ASN 671 H ASN 671 -9.473 -3.194 1.754 119 HA ASN 671 HA ASN 671 -11.808 -3.376 2.098 120 1HB ASN 671 2HB ASN 671 -10.745 -1.491 3.971 121 2HB ASN 671 1HB ASN 671 -12.307 -0.887 3.414 122 1HD2 ASN 671 1HD2 ASN 671 -14.214 -2.274 3.771 123 2HD2 ASN 671 2HD2 ASN 671 -14.171 -3.525 4.917 124 H GLY 672 H GLY 672 -11.436 0.176 1.875 125 1HA GLY 672 2HA GLY 672 -12.730 0.097 -0.802 126 2HA GLY 672 1HA GLY 672 -13.490 1.057 0.468 127 H LYS 673 H LYS 673 -10.061 0.894 0.608 128 HA LYS 673 HA LYS 673 -9.922 3.710 -0.404 129 1HB LYS 673 2HB LYS 673 -8.015 2.190 1.401 130 2HB LYS 673 1HB LYS 673 -8.070 3.933 1.135 131 1HG LYS 673 2HG LYS 673 -10.672 2.993 1.952 132 2HG LYS 673 1HG LYS 673 -9.454 2.467 3.115 133 1HD LYS 673 2HD LYS 673 -8.714 4.698 3.505 134 2HD LYS 673 1HD LYS 673 -9.581 5.310 2.096 135 1HE LYS 673 2HE LYS 673 -10.903 5.911 4.021 136 2HE LYS 673 1HE LYS 673 -11.734 4.535 3.268 137 1HZ LYS 673 1HZ LYS 673 -11.183 4.442 5.784 138 2HZ LYS 673 2HZ LYS 673 -9.612 4.065 5.256 139 3HZ LYS 673 3HZ LYS 673 -10.919 3.068 4.828 140 H THR 674 H THR 674 -8.203 4.267 -1.842 141 HA THR 674 HA THR 674 -6.996 1.936 -3.279 142 HB THR 674 HB THR 674 -7.451 4.839 -4.054 143 HG1 THR 674 1HG THR 674 -9.277 3.311 -3.819 144 1HG2 THR 674 1HG2 THR 674 -6.031 2.569 -5.343 145 2HG2 THR 674 2HG2 THR 674 -5.755 4.304 -5.497 146 3HG2 THR 674 3HG2 THR 674 -7.073 3.538 -6.384 147 H TYR 675 H TYR 675 -4.785 1.670 -3.180 148 HA TYR 675 HA TYR 675 -3.112 3.994 -2.307 149 1HB TYR 675 2HB TYR 675 -3.405 1.234 -1.155 150 2HB TYR 675 1HB TYR 675 -1.866 2.083 -0.995 151 HD1 TYR 675 1HD TYR 675 -5.460 2.149 -0.142 152 HD2 TYR 675 2HD TYR 675 -1.649 4.052 0.395 153 HE1 TYR 675 1HE TYR 675 -6.387 3.473 1.735 154 HE2 TYR 675 2HE TYR 675 -2.579 5.384 2.266 155 HH TYR 675 HH TYR 675 -4.326 5.554 3.712 156 H LYS 676 H LYS 676 -0.843 3.773 -2.938 157 HA LYS 676 HA LYS 676 -0.306 1.696 -5.023 158 1HB LYS 676 2HB LYS 676 -0.095 4.708 -5.172 159 2HB LYS 676 1HB LYS 676 0.813 3.667 -6.268 160 1HG LYS 676 2HG LYS 676 -1.015 3.436 -7.554 161 2HG LYS 676 1HG LYS 676 -1.869 2.705 -6.194 162 1HD LYS 676 2HD LYS 676 -3.186 4.523 -6.096 163 2HD LYS 676 1HD LYS 676 -1.768 5.480 -5.665 164 1HE LYS 676 2HE LYS 676 -1.518 5.119 -8.430 165 2HE LYS 676 1HE LYS 676 -3.246 5.441 -8.179 166 1HZ LYS 676 1HZ LYS 676 -2.451 7.236 -6.581 167 2HZ LYS 676 2HZ LYS 676 -2.271 7.551 -8.241 168 3HZ LYS 676 3HZ LYS 676 -0.931 7.070 -7.314 169 H CYS 677 H CYS 677 1.684 0.777 -4.722 170 HA CYS 677 HA CYS 677 3.406 1.691 -2.538 171 1HB CYS 677 2HB CYS 677 2.803 -0.694 -3.740 172 2HB CYS 677 1HB CYS 677 4.370 -0.337 -4.467 173 HG CYS 677 HG CYS 677 4.388 0.031 -1.435 174 H LEU 678 H LEU 678 5.423 2.709 -2.760 175 HA LEU 678 HA LEU 678 6.125 3.618 -5.531 176 1HB LEU 678 2HB LEU 678 5.340 5.226 -3.654 177 2HB LEU 678 1HB LEU 678 6.926 4.937 -2.937 178 HG LEU 678 HG LEU 678 7.736 5.456 -5.426 179 1HD1 LEU 678 1HD1 LEU 678 5.027 6.766 -5.145 180 2HD1 LEU 678 2HD1 LEU 678 5.641 5.800 -6.487 181 3HD1 LEU 678 3HD1 LEU 678 6.269 7.424 -6.211 182 1HD2 LEU 678 1HD2 LEU 678 6.945 7.452 -3.288 183 2HD2 LEU 678 2HD2 LEU 678 7.908 7.888 -4.698 184 3HD2 LEU 678 3HD2 LEU 678 8.528 6.715 -3.537 185 H GLN 679 H GLN 679 7.209 1.847 -2.766 186 HA GLN 679 HA GLN 679 9.877 1.515 -4.062 187 1HB GLN 679 2HB GLN 679 9.168 2.646 -1.404 188 2HB GLN 679 1HB GLN 679 10.558 1.561 -1.443 189 1HG GLN 679 2HG GLN 679 10.499 3.532 -3.636 190 2HG GLN 679 1HG GLN 679 10.672 4.237 -2.028 191 1HE2 GLN 679 1HE2 GLN 679 12.936 4.694 -3.185 192 2HE2 GLN 679 2HE2 GLN 679 14.136 3.527 -2.905 193 HA PRO 680 HA PRO 680 9.035 -2.773 -3.320 194 1HB PRO 680 2HB PRO 680 11.834 -3.344 -2.978 195 2HB PRO 680 1HB PRO 680 10.832 -3.626 -4.405 196 1HG PRO 680 2HG PRO 680 12.874 -1.635 -4.043 197 2HG PRO 680 1HG PRO 680 11.887 -1.934 -5.477 198 1HD PRO 680 2HD PRO 680 11.718 0.297 -3.673 199 2HD PRO 680 1HD PRO 680 10.678 -0.046 -5.078 200 H HIS 681 H HIS 681 8.182 -3.152 -1.282 201 HA HIS 681 HA HIS 681 10.085 -3.509 0.967 202 1HB HIS 681 2HB HIS 681 7.771 -1.552 0.876 203 2HB HIS 681 1HB HIS 681 8.539 -2.057 2.382 204 HD1 HIS 681 1HD HIS 681 11.476 -2.091 1.570 205 HD2 HIS 681 2HD HIS 681 8.868 0.970 0.472 206 HE1 HIS 681 1HE HIS 681 12.917 -0.084 1.031 207 H THR 682 H THR 682 8.476 -4.120 3.000 208 HA THR 682 HA THR 682 6.603 -6.196 1.908 209 HB THR 682 HB THR 682 8.497 -6.124 4.265 210 HG1 THR 682 1HG THR 682 8.290 -8.239 2.485 211 1HG2 THR 682 1HG2 THR 682 6.293 -7.083 4.946 212 2HG2 THR 682 2HG2 THR 682 7.594 -8.273 4.966 213 3HG2 THR 682 3HG2 THR 682 6.436 -8.255 3.636 214 H SER 683 H SER 683 4.498 -5.763 2.405 215 HA SER 683 HA SER 683 3.799 -3.788 4.468 216 1HB SER 683 2HB SER 683 2.431 -5.404 2.342 217 2HB SER 683 1HB SER 683 1.451 -4.665 3.603 218 HG SER 683 HG SER 683 2.667 -2.684 3.054 219 H LEU 684 H LEU 684 2.657 -4.277 6.402 220 HA LEU 684 HA LEU 684 1.980 -7.086 7.014 221 1HB LEU 684 2HB LEU 684 3.616 -7.371 8.682 222 2HB LEU 684 1HB LEU 684 4.499 -6.508 7.425 223 HG LEU 684 HG LEU 684 3.291 -5.350 9.949 224 1HD1 LEU 684 1HD1 LEU 684 6.045 -4.688 9.234 225 2HD1 LEU 684 2HD1 LEU 684 5.800 -6.426 9.408 226 3HD1 LEU 684 3HD1 LEU 684 5.406 -5.342 10.742 227 1HD2 LEU 684 1HD2 LEU 684 2.814 -3.666 8.395 228 2HD2 LEU 684 2HD2 LEU 684 4.220 -4.049 7.401 229 3HD2 LEU 684 3HD2 LEU 684 4.429 -3.210 8.939 230 H ALA 685 H ALA 685 1.496 -6.970 9.660 231 HA ALA 685 HA ALA 685 -0.872 -5.378 9.908 232 1HB ALA 685 1HB ALA 685 0.487 -6.211 12.387 233 2HB ALA 685 2HB ALA 685 0.334 -7.499 11.193 234 3HB ALA 685 3HB ALA 685 -1.104 -6.662 11.776 235 H GLY 686 H GLY 686 0.357 -3.298 9.191 236 1HA GLY 686 2HA GLY 686 0.591 -1.540 11.438 237 2HA GLY 686 1HA GLY 686 2.205 -1.951 10.851 238 H TRP 687 H TRP 687 1.474 -2.207 8.073 239 HA TRP 687 HA TRP 687 1.400 0.667 7.376 240 1HB TRP 687 2HB TRP 687 1.851 -1.916 5.853 241 2HB TRP 687 1HB TRP 687 1.910 -0.324 5.095 242 HD1 TRP 687 HD TRP 687 3.158 0.294 8.382 243 HE1 TRP 687 1HE TRP 687 5.733 0.218 8.492 244 HE3 TRP 687 3HE TRP 687 4.164 -2.027 3.946 245 HZ2 TRP 687 2HZ TRP 687 7.927 -0.703 6.909 246 HZ3 TRP 687 3HZ TRP 687 6.503 -2.490 3.272 247 HH2 TRP 687 HH TRP 687 8.385 -1.832 4.747 248 H GLU 688 H GLU 688 -1.075 -0.443 8.407 249 HA GLU 688 HA GLU 688 -2.795 -0.870 6.041 250 1HB GLU 688 2HB GLU 688 -4.009 -0.536 8.728 251 2HB GLU 688 1HB GLU 688 -4.267 -1.792 7.526 252 1HG GLU 688 2HG GLU 688 -1.923 -2.649 8.135 253 2HG GLU 688 1HG GLU 688 -2.025 -1.591 9.544 254 HA PRO 689 HA PRO 689 -4.583 3.270 7.724 255 1HB PRO 689 2HB PRO 689 -2.597 4.514 9.390 256 2HB PRO 689 1HB PRO 689 -4.198 3.934 9.863 257 1HG PRO 689 2HG PRO 689 -1.701 2.823 10.617 258 2HG PRO 689 1HG PRO 689 -3.301 2.136 10.914 259 1HD PRO 689 2HD PRO 689 -1.263 1.294 8.975 260 2HD PRO 689 1HD PRO 689 -2.722 0.428 9.510 261 H SER 690 H SER 690 -1.462 2.545 6.620 262 HA SER 690 HA SER 690 -0.063 3.590 5.032 263 1HB SER 690 2HB SER 690 -1.246 4.730 3.402 264 2HB SER 690 1HB SER 690 -2.596 3.990 4.257 265 HG SER 690 HG SER 690 -3.068 5.881 5.174 266 H ASN 691 H ASN 691 0.489 4.286 7.627 267 HA ASN 691 HA ASN 691 0.436 7.199 7.986 268 1HB ASN 691 2HB ASN 691 1.553 6.632 10.086 269 2HB ASN 691 1HB ASN 691 0.227 5.501 9.811 270 1HD2 ASN 691 1HD2 ASN 691 0.750 3.276 9.492 271 2HD2 ASN 691 2HD2 ASN 691 2.337 2.679 9.557 272 H VAL 692 H VAL 692 2.100 5.602 5.787 273 HA VAL 692 HA VAL 692 4.561 7.259 6.170 274 HB VAL 692 HB VAL 692 5.874 5.299 5.420 275 1HG1 VAL 692 1HG1 VAL 692 5.884 4.245 7.492 276 2HG1 VAL 692 2HG1 VAL 692 4.124 4.251 7.618 277 3HG1 VAL 692 3HG1 VAL 692 5.034 5.738 7.890 278 1HG2 VAL 692 1HG2 VAL 692 3.926 3.241 5.803 279 2HG2 VAL 692 2HG2 VAL 692 4.842 3.613 4.344 280 3HG2 VAL 692 3HG2 VAL 692 3.284 4.386 4.627 281 HA PRO 693 HA PRO 693 2.554 7.890 2.015 282 1HB PRO 693 2HB PRO 693 3.592 10.570 2.174 283 2HB PRO 693 1HB PRO 693 1.906 10.050 2.247 284 1HG PRO 693 2HG PRO 693 3.520 11.066 4.385 285 2HG PRO 693 1HG PRO 693 1.844 10.521 4.460 286 1HD PRO 693 2HD PRO 693 4.186 9.207 5.526 287 2HD PRO 693 1HD PRO 693 2.492 8.667 5.618 288 H ALA 694 H ALA 694 5.706 8.142 3.376 289 HA ALA 694 HA ALA 694 7.308 9.062 1.247 290 1HB ALA 694 1HB ALA 694 8.039 8.534 3.557 291 2HB ALA 694 2HB ALA 694 9.055 7.721 2.366 292 3HB ALA 694 3HB ALA 694 7.812 6.815 3.228 293 H LEU 695 H LEU 695 5.789 5.892 1.726 294 HA LEU 695 HA LEU 695 6.687 5.141 -1.037 295 1HB LEU 695 2HB LEU 695 6.747 2.772 -0.016 296 2HB LEU 695 1HB LEU 695 8.032 3.877 0.471 297 HG LEU 695 HG LEU 695 6.704 4.463 2.504 298 1HD1 LEU 695 1HD1 LEU 695 4.788 2.646 1.144 299 2HD1 LEU 695 2HD1 LEU 695 4.477 4.014 2.213 300 3HD1 LEU 695 3HD1 LEU 695 4.933 2.451 2.890 301 1HD2 LEU 695 1HD2 LEU 695 7.543 2.672 3.690 302 2HD2 LEU 695 2HD2 LEU 695 8.364 2.383 2.157 303 3HD2 LEU 695 3HD2 LEU 695 6.899 1.485 2.555 304 H TRP 696 H TRP 696 4.081 5.718 1.014 305 HA TRP 696 HA TRP 696 2.300 3.844 -0.507 306 1HB TRP 696 2HB TRP 696 2.486 4.846 2.279 307 2HB TRP 696 1HB TRP 696 0.852 4.707 1.634 308 HD1 TRP 696 HD TRP 696 2.727 2.781 3.757 309 HE1 TRP 696 1HE TRP 696 2.493 0.239 3.403 310 HE3 TRP 696 3HE TRP 696 0.788 2.727 -0.969 311 HZ2 TRP 696 2HZ TRP 696 1.602 -1.577 1.381 312 HZ3 TRP 696 3HZ TRP 696 0.256 0.578 -2.082 313 HH2 TRP 696 HH TRP 696 0.660 -1.573 -0.915 314 H GLN 697 H GLN 697 1.751 5.198 -2.284 315 HA GLN 697 HA GLN 697 0.679 7.917 -1.675 316 1HB GLN 697 2HB GLN 697 2.441 7.560 -3.416 317 2HB GLN 697 1HB GLN 697 1.312 6.535 -4.304 318 1HG GLN 697 2HG GLN 697 -0.283 8.458 -4.408 319 2HG GLN 697 1HG GLN 697 0.941 9.470 -3.642 320 1HE2 GLN 697 1HE2 GLN 697 3.207 8.181 -5.071 321 2HE2 GLN 697 2HE2 GLN 697 3.114 8.713 -6.680 322 H LEU 698 H LEU 698 -1.500 7.758 -1.147 323 HA LEU 698 HA LEU 698 -3.179 5.807 -2.651 324 1HB LEU 698 2HB LEU 698 -4.527 5.794 -0.746 325 2HB LEU 698 1HB LEU 698 -2.948 6.131 -0.045 326 HG LEU 698 HG LEU 698 -3.834 8.658 -0.669 327 1HD1 LEU 698 1HD1 LEU 698 -6.061 8.449 -1.100 328 2HD1 LEU 698 2HD1 LEU 698 -6.207 8.285 0.650 329 3HD1 LEU 698 3HD1 LEU 698 -6.148 6.847 -0.368 330 1HD2 LEU 698 1HD2 LEU 698 -4.102 8.927 1.720 331 2HD2 LEU 698 2HD2 LEU 698 -2.801 7.766 1.461 332 3HD2 LEU 698 3HD2 LEU 698 -4.405 7.203 1.931 333 H GLN 699 H GLN 699 -5.582 6.775 -2.809 334 HA GLN 699 HA GLN 699 -5.675 9.630 -3.515 335 1HB GLN 699 2HB GLN 699 -6.138 9.169 -5.904 336 2HB GLN 699 1HB GLN 699 -4.541 8.574 -5.444 337 1HG GLN 699 2HG GLN 699 -5.140 6.383 -5.692 338 2HG GLN 699 1HG GLN 699 -6.777 6.658 -5.096 339 1HE2 GLN 699 1HE2 GLN 699 -4.734 6.759 -7.991 340 2HE2 GLN 699 2HE2 GLN 699 -6.009 6.931 -9.098 Start of MODEL 29 1 HA ALA 655 HA ALA 655 -6.999 -5.325 -3.333 2 1HB ALA 655 1HB ALA 655 -8.052 -4.668 -1.223 3 2HB ALA 655 2HB ALA 655 -8.201 -6.357 -0.743 4 3HB ALA 655 3HB ALA 655 -9.140 -5.740 -2.103 5 H TRP 656 H TRP 656 -5.998 -4.324 -0.971 6 HA TRP 656 HA TRP 656 -3.280 -5.187 -0.942 7 1HB TRP 656 2HB TRP 656 -4.036 -2.966 -0.254 8 2HB TRP 656 1HB TRP 656 -4.974 -3.666 1.065 9 HD1 TRP 656 HD TRP 656 -1.348 -3.106 -0.056 10 HE1 TRP 656 1HE TRP 656 0.180 -3.248 2.016 11 HE3 TRP 656 3HE TRP 656 -4.759 -4.554 3.455 12 HZ2 TRP 656 2HZ TRP 656 -0.021 -3.889 4.798 13 HZ3 TRP 656 3HZ TRP 656 -4.067 -4.922 5.805 14 HH2 TRP 656 HH TRP 656 -1.704 -4.593 6.481 15 H GLN 657 H GLN 657 -2.135 -6.417 0.673 16 HA GLN 657 HA GLN 657 -3.813 -7.976 2.592 17 1HB GLN 657 2HB GLN 657 -2.037 -8.957 0.360 18 2HB GLN 657 1HB GLN 657 -2.351 -9.972 1.768 19 1HG GLN 657 2HG GLN 657 -4.874 -9.229 1.235 20 2HG GLN 657 1HG GLN 657 -4.208 -9.102 -0.394 21 1HE2 GLN 657 1HE2 GLN 657 -5.098 -11.016 -1.315 22 2HE2 GLN 657 2HE2 GLN 657 -4.762 -12.573 -0.732 23 H VAL 658 H VAL 658 -2.630 -8.697 4.437 24 HA VAL 658 HA VAL 658 -0.170 -7.172 4.998 25 HB VAL 658 HB VAL 658 -0.587 -7.954 7.267 26 1HG1 VAL 658 1HG1 VAL 658 -2.710 -6.816 5.587 27 2HG1 VAL 658 2HG1 VAL 658 -2.121 -6.289 7.164 28 3HG1 VAL 658 3HG1 VAL 658 -3.317 -7.581 7.057 29 1HG2 VAL 658 1HG2 VAL 658 -2.363 -9.612 7.719 30 2HG2 VAL 658 2HG2 VAL 658 -1.109 -10.300 6.687 31 3HG2 VAL 658 3HG2 VAL 658 -2.642 -9.786 5.986 32 H ASN 659 H ASN 659 1.782 -8.270 5.812 33 HA ASN 659 HA ASN 659 3.423 -9.980 5.790 34 1HB ASN 659 2HB ASN 659 1.277 -11.171 6.690 35 2HB ASN 659 1HB ASN 659 1.194 -11.882 5.077 36 1HD2 ASN 659 1HD2 ASN 659 1.712 -14.033 5.956 37 2HD2 ASN 659 2HD2 ASN 659 3.289 -14.409 6.460 38 H THR 660 H THR 660 3.016 -8.463 3.437 39 HA THR 660 HA THR 660 3.686 -10.503 1.353 40 HB THR 660 HB THR 660 1.917 -8.119 0.807 41 HG1 THR 660 1HG THR 660 0.919 -10.692 1.350 42 1HG2 THR 660 1HG2 THR 660 1.266 -10.468 -0.666 43 2HG2 THR 660 2HG2 THR 660 3.020 -10.282 -0.710 44 3HG2 THR 660 3HG2 THR 660 1.979 -8.972 -1.269 45 H ALA 661 H ALA 661 4.807 -9.468 -0.535 46 HA ALA 661 HA ALA 661 6.344 -7.035 0.316 47 1HB ALA 661 1HB ALA 661 8.208 -8.197 -0.265 48 2HB ALA 661 2HB ALA 661 7.491 -8.718 -1.790 49 3HB ALA 661 3HB ALA 661 7.171 -9.622 -0.309 50 H TYR 662 H TYR 662 5.639 -5.278 -0.851 51 HA TYR 662 HA TYR 662 4.570 -5.711 -3.602 52 1HB TYR 662 2HB TYR 662 4.482 -3.382 -1.656 53 2HB TYR 662 1HB TYR 662 3.698 -3.392 -3.237 54 HD1 TYR 662 1HD TYR 662 2.692 -3.421 -0.111 55 HD2 TYR 662 2HD TYR 662 2.729 -6.183 -3.400 56 HE1 TYR 662 1HE TYR 662 0.742 -4.606 0.861 57 HE2 TYR 662 2HE TYR 662 0.777 -7.366 -2.429 58 HH TYR 662 HH TYR 662 -0.988 -7.055 -0.903 59 H THR 663 H THR 663 5.345 -4.347 -5.348 60 HA THR 663 HA THR 663 8.193 -3.531 -5.007 61 HB THR 663 HB THR 663 8.088 -3.614 -7.538 62 HG1 THR 663 1HG THR 663 5.845 -3.240 -7.695 63 1HG2 THR 663 1HG2 THR 663 7.050 -6.252 -6.875 64 2HG2 THR 663 2HG2 THR 663 8.200 -5.681 -5.667 65 3HG2 THR 663 3HG2 THR 663 8.678 -5.782 -7.362 66 H ALA 664 H ALA 664 8.871 -1.485 -6.054 67 HA ALA 664 HA ALA 664 7.377 0.789 -5.303 68 1HB ALA 664 1HB ALA 664 9.463 1.506 -5.814 69 2HB ALA 664 2HB ALA 664 8.959 1.511 -7.503 70 3HB ALA 664 3HB ALA 664 9.759 0.093 -6.825 71 H GLY 665 H GLY 665 5.522 1.638 -6.166 72 1HA GLY 665 2HA GLY 665 4.127 2.457 -7.930 73 2HA GLY 665 1HA GLY 665 5.073 1.515 -9.083 74 H GLN 666 H GLN 666 3.715 0.198 -6.102 75 HA GLN 666 HA GLN 666 2.263 -1.829 -7.694 76 1HB GLN 666 2HB GLN 666 3.596 -1.657 -5.203 77 2HB GLN 666 1HB GLN 666 1.900 -1.968 -4.830 78 1HG GLN 666 2HG GLN 666 3.432 -3.554 -6.903 79 2HG GLN 666 1HG GLN 666 3.339 -4.039 -5.210 80 1HE2 GLN 666 1HE2 GLN 666 1.361 -4.970 -4.456 81 2HE2 GLN 666 2HE2 GLN 666 0.026 -5.251 -5.467 82 H LEU 667 H LEU 667 -0.032 -2.364 -6.938 83 HA LEU 667 HA LEU 667 -1.538 0.126 -6.206 84 1HB LEU 667 2HB LEU 667 -1.500 -0.701 -8.669 85 2HB LEU 667 1HB LEU 667 -2.526 -2.015 -8.093 86 HG LEU 667 HG LEU 667 -3.889 -0.143 -8.949 87 1HD1 LEU 667 1HD1 LEU 667 -4.428 -1.568 -6.797 88 2HD1 LEU 667 2HD1 LEU 667 -5.436 -0.181 -7.209 89 3HD1 LEU 667 3HD1 LEU 667 -4.195 -0.030 -5.966 90 1HD2 LEU 667 1HD2 LEU 667 -2.112 1.586 -8.296 91 2HD2 LEU 667 2HD2 LEU 667 -2.771 1.494 -6.663 92 3HD2 LEU 667 3HD2 LEU 667 -3.789 2.044 -7.995 93 H VAL 668 H VAL 668 -2.158 -0.395 -4.098 94 HA VAL 668 HA VAL 668 -3.433 -3.080 -3.673 95 HB VAL 668 HB VAL 668 -2.600 -2.967 -1.445 96 1HG1 VAL 668 1HG1 VAL 668 -0.250 -2.743 -1.742 97 2HG1 VAL 668 2HG1 VAL 668 -0.450 -1.529 -3.006 98 3HG1 VAL 668 3HG1 VAL 668 -0.873 -3.212 -3.325 99 1HG2 VAL 668 1HG2 VAL 668 -2.024 -0.033 -1.983 100 2HG2 VAL 668 2HG2 VAL 668 -1.639 -0.889 -0.490 101 3HG2 VAL 668 3HG2 VAL 668 -3.321 -0.658 -0.964 102 H THR 669 H THR 669 -5.240 -3.002 -2.010 103 HA THR 669 HA THR 669 -6.612 -0.355 -1.886 104 HB THR 669 HB THR 669 -8.717 -1.890 -2.426 105 HG1 THR 669 1HG THR 669 -8.229 -3.644 -3.585 106 1HG2 THR 669 1HG2 THR 669 -7.873 0.048 -3.757 107 2HG2 THR 669 2HG2 THR 669 -8.510 -1.252 -4.765 108 3HG2 THR 669 3HG2 THR 669 -6.767 -1.047 -4.587 109 H TYR 670 H TYR 670 -7.104 -0.015 0.256 110 HA TYR 670 HA TYR 670 -7.209 -2.328 2.103 111 1HB TYR 670 2HB TYR 670 -7.188 0.685 2.372 112 2HB TYR 670 1HB TYR 670 -7.384 -0.379 3.765 113 HD1 TYR 670 1HD TYR 670 -5.097 0.704 1.083 114 HD2 TYR 670 2HD TYR 670 -5.558 -1.782 4.552 115 HE1 TYR 670 1HE TYR 670 -2.644 0.347 1.150 116 HE2 TYR 670 2HE TYR 670 -3.107 -2.143 4.619 117 HH TYR 670 HH TYR 670 -0.923 -0.294 2.701 118 H ASN 671 H ASN 671 -9.303 -3.107 1.103 119 HA ASN 671 HA ASN 671 -11.678 -3.189 1.001 120 1HB ASN 671 2HB ASN 671 -10.607 -2.793 3.691 121 2HB ASN 671 1HB ASN 671 -12.285 -2.266 3.564 122 1HD2 ASN 671 1HD2 ASN 671 -11.708 -4.549 5.106 123 2HD2 ASN 671 2HD2 ASN 671 -12.289 -5.932 4.312 124 H GLY 672 H GLY 672 -11.913 -1.369 -0.544 125 1HA GLY 672 2HA GLY 672 -13.387 0.477 -1.001 126 2HA GLY 672 1HA GLY 672 -13.343 0.901 0.710 127 H LYS 673 H LYS 673 -10.313 0.587 0.641 128 HA LYS 673 HA LYS 673 -9.773 3.332 -0.397 129 1HB LYS 673 2HB LYS 673 -9.106 1.818 1.920 130 2HB LYS 673 1HB LYS 673 -7.602 2.126 1.053 131 1HG LYS 673 2HG LYS 673 -8.068 3.969 2.606 132 2HG LYS 673 1HG LYS 673 -8.181 4.539 0.940 133 1HD LYS 673 2HD LYS 673 -10.645 4.230 1.025 134 2HD LYS 673 1HD LYS 673 -10.508 3.742 2.714 135 1HE LYS 673 2HE LYS 673 -9.398 5.975 3.179 136 2HE LYS 673 1HE LYS 673 -9.842 6.455 1.528 137 1HZ LYS 673 1HZ LYS 673 -12.104 6.158 1.970 138 2HZ LYS 673 2HZ LYS 673 -11.523 6.951 3.355 139 3HZ LYS 673 3HZ LYS 673 -11.816 5.278 3.391 140 H THR 674 H THR 674 -7.751 3.689 -1.593 141 HA THR 674 HA THR 674 -6.583 1.257 -2.882 142 HB THR 674 HB THR 674 -7.571 3.746 -4.312 143 HG1 THR 674 1HG THR 674 -9.211 2.327 -3.433 144 1HG2 THR 674 1HG2 THR 674 -5.610 2.177 -5.175 145 2HG2 THR 674 2HG2 THR 674 -6.840 2.785 -6.282 146 3HG2 THR 674 3HG2 THR 674 -6.958 1.143 -5.648 147 H TYR 675 H TYR 675 -4.416 1.436 -2.413 148 HA TYR 675 HA TYR 675 -3.194 4.170 -2.366 149 1HB TYR 675 2HB TYR 675 -2.571 1.530 -1.033 150 2HB TYR 675 1HB TYR 675 -1.414 2.863 -1.044 151 HD1 TYR 675 1HD TYR 675 -4.965 2.058 -0.193 152 HD2 TYR 675 2HD TYR 675 -1.573 4.582 0.550 153 HE1 TYR 675 1HE TYR 675 -6.171 3.122 1.693 154 HE2 TYR 675 2HE TYR 675 -2.778 5.648 2.436 155 HH TYR 675 HH TYR 675 -5.775 4.378 3.651 156 H LYS 676 H LYS 676 -0.825 4.147 -3.073 157 HA LYS 676 HA LYS 676 -0.396 2.238 -5.349 158 1HB LYS 676 2HB LYS 676 -0.708 5.138 -5.237 159 2HB LYS 676 1HB LYS 676 0.804 4.674 -6.012 160 1HG LYS 676 2HG LYS 676 -0.349 4.183 -7.882 161 2HG LYS 676 1HG LYS 676 -1.187 2.909 -6.994 162 1HD LYS 676 2HD LYS 676 -3.092 4.118 -6.865 163 2HD LYS 676 1HD LYS 676 -2.223 5.566 -6.353 164 1HE LYS 676 2HE LYS 676 -2.112 6.401 -8.485 165 2HE LYS 676 1HE LYS 676 -1.849 4.798 -9.200 166 1HZ LYS 676 1HZ LYS 676 -4.108 4.260 -8.991 167 2HZ LYS 676 2HZ LYS 676 -4.106 5.845 -9.602 168 3HZ LYS 676 3HZ LYS 676 -4.425 5.566 -7.956 169 H CYS 677 H CYS 677 1.132 1.005 -4.103 170 HA CYS 677 HA CYS 677 3.172 1.882 -2.416 171 1HB CYS 677 2HB CYS 677 2.424 -0.441 -3.849 172 2HB CYS 677 1HB CYS 677 4.131 -0.176 -4.205 173 HG CYS 677 HG CYS 677 4.617 -0.204 -1.625 174 H LEU 678 H LEU 678 5.269 2.706 -2.722 175 HA LEU 678 HA LEU 678 5.992 3.485 -5.530 176 1HB LEU 678 2HB LEU 678 5.273 5.081 -3.333 177 2HB LEU 678 1HB LEU 678 7.028 5.223 -3.442 178 HG LEU 678 HG LEU 678 5.712 5.341 -6.057 179 1HD1 LEU 678 1HD1 LEU 678 3.959 6.439 -4.688 180 2HD1 LEU 678 2HD1 LEU 678 4.768 7.592 -5.749 181 3HD1 LEU 678 3HD1 LEU 678 5.173 7.538 -4.033 182 1HD2 LEU 678 1HD2 LEU 678 7.702 6.996 -4.490 183 2HD2 LEU 678 2HD2 LEU 678 7.150 7.465 -6.097 184 3HD2 LEU 678 3HD2 LEU 678 8.015 5.944 -5.871 185 H GLN 679 H GLN 679 6.904 1.649 -2.872 186 HA GLN 679 HA GLN 679 9.720 1.566 -3.839 187 1HB GLN 679 2HB GLN 679 8.678 2.374 -1.146 188 2HB GLN 679 1HB GLN 679 10.216 1.514 -1.230 189 1HG GLN 679 2HG GLN 679 11.035 3.198 -2.872 190 2HG GLN 679 1HG GLN 679 9.521 4.083 -2.681 191 1HE2 GLN 679 1HE2 GLN 679 10.065 5.908 -1.451 192 2HE2 GLN 679 2HE2 GLN 679 10.933 5.859 0.008 193 HA PRO 680 HA PRO 680 8.930 -2.785 -3.379 194 1HB PRO 680 2HB PRO 680 11.743 -3.321 -3.132 195 2HB PRO 680 1HB PRO 680 10.723 -3.516 -4.560 196 1HG PRO 680 2HG PRO 680 12.754 -1.553 -4.132 197 2HG PRO 680 1HG PRO 680 11.678 -1.705 -5.524 198 1HD PRO 680 2HD PRO 680 11.616 0.292 -3.414 199 2HD PRO 680 1HD PRO 680 10.602 0.197 -4.875 200 H HIS 681 H HIS 681 8.044 -2.725 -1.210 201 HA HIS 681 HA HIS 681 10.034 -3.418 0.919 202 1HB HIS 681 2HB HIS 681 7.883 -1.311 0.842 203 2HB HIS 681 1HB HIS 681 8.379 -2.006 2.384 204 HD1 HIS 681 1HD HIS 681 11.393 -2.213 0.678 205 HD2 HIS 681 2HD HIS 681 9.247 1.058 2.117 206 HE1 HIS 681 1HE HIS 681 13.051 -0.317 0.913 207 H THR 682 H THR 682 8.513 -4.079 2.972 208 HA THR 682 HA THR 682 6.519 -6.044 1.888 209 HB THR 682 HB THR 682 8.404 -6.114 4.264 210 HG1 THR 682 1HG THR 682 9.596 -7.251 2.975 211 1HG2 THR 682 1HG2 THR 682 5.901 -7.482 3.822 212 2HG2 THR 682 2HG2 THR 682 6.984 -7.576 5.212 213 3HG2 THR 682 3HG2 THR 682 7.230 -8.643 3.829 214 H SER 683 H SER 683 4.439 -5.680 2.558 215 HA SER 683 HA SER 683 3.921 -3.691 4.685 216 1HB SER 683 2HB SER 683 2.426 -5.080 2.499 217 2HB SER 683 1HB SER 683 1.496 -4.443 3.851 218 HG SER 683 HG SER 683 2.583 -2.424 3.470 219 H LEU 684 H LEU 684 2.847 -4.202 6.635 220 HA LEU 684 HA LEU 684 2.162 -7.052 7.158 221 1HB LEU 684 2HB LEU 684 3.724 -7.261 8.896 222 2HB LEU 684 1HB LEU 684 4.619 -6.305 7.717 223 HG LEU 684 HG LEU 684 3.171 -5.288 10.179 224 1HD1 LEU 684 1HD1 LEU 684 5.530 -4.365 10.589 225 2HD1 LEU 684 2HD1 LEU 684 6.058 -5.444 9.297 226 3HD1 LEU 684 3HD1 LEU 684 5.330 -6.110 10.759 227 1HD2 LEU 684 1HD2 LEU 684 2.743 -3.618 8.557 228 2HD2 LEU 684 2HD2 LEU 684 4.309 -3.849 7.781 229 3HD2 LEU 684 3HD2 LEU 684 4.213 -3.059 9.355 230 H ALA 685 H ALA 685 1.519 -6.954 9.779 231 HA ALA 685 HA ALA 685 -0.946 -5.488 9.869 232 1HB ALA 685 1HB ALA 685 -0.209 -6.128 12.485 233 2HB ALA 685 2HB ALA 685 0.654 -7.311 11.501 234 3HB ALA 685 3HB ALA 685 -1.099 -7.175 11.378 235 H GLY 686 H GLY 686 0.347 -3.368 9.214 236 1HA GLY 686 2HA GLY 686 0.275 -1.587 11.461 237 2HA GLY 686 1HA GLY 686 1.951 -1.949 11.050 238 H TRP 687 H TRP 687 1.413 -2.238 8.176 239 HA TRP 687 HA TRP 687 1.470 0.631 7.488 240 1HB TRP 687 2HB TRP 687 1.880 -1.967 5.984 241 2HB TRP 687 1HB TRP 687 2.009 -0.386 5.216 242 HD1 TRP 687 HD TRP 687 3.158 -0.098 8.672 243 HE1 TRP 687 1HE TRP 687 5.733 -0.130 8.803 244 HE3 TRP 687 3HE TRP 687 4.257 -1.723 3.959 245 HZ2 TRP 687 2HZ TRP 687 7.965 -0.760 7.126 246 HZ3 TRP 687 3HZ TRP 687 6.612 -2.031 3.251 247 HH2 TRP 687 HH TRP 687 8.465 -1.551 4.828 248 H GLU 688 H GLU 688 -1.106 -0.520 8.381 249 HA GLU 688 HA GLU 688 -2.733 -0.750 5.932 250 1HB GLU 688 2HB GLU 688 -3.988 -0.490 8.625 251 2HB GLU 688 1HB GLU 688 -4.334 -1.628 7.331 252 1HG GLU 688 2HG GLU 688 -1.842 -2.451 7.981 253 2HG GLU 688 1HG GLU 688 -2.368 -1.838 9.549 254 HA PRO 689 HA PRO 689 -4.426 3.388 7.767 255 1HB PRO 689 2HB PRO 689 -2.382 4.511 9.452 256 2HB PRO 689 1HB PRO 689 -4.003 3.985 9.918 257 1HG PRO 689 2HG PRO 689 -1.543 2.749 10.615 258 2HG PRO 689 1HG PRO 689 -3.170 2.135 10.927 259 1HD PRO 689 2HD PRO 689 -1.203 1.214 8.962 260 2HD PRO 689 1HD PRO 689 -2.720 0.437 9.472 261 H SER 690 H SER 690 -1.355 2.593 6.585 262 HA SER 690 HA SER 690 0.023 3.634 4.973 263 1HB SER 690 2HB SER 690 -1.148 4.945 3.472 264 2HB SER 690 1HB SER 690 -2.514 4.279 4.360 265 HG SER 690 HG SER 690 -2.945 6.233 4.968 266 H ASN 691 H ASN 691 0.739 4.101 7.575 267 HA ASN 691 HA ASN 691 0.897 6.959 8.184 268 1HB ASN 691 2HB ASN 691 2.178 6.129 10.109 269 2HB ASN 691 1HB ASN 691 0.746 5.128 9.863 270 1HD2 ASN 691 1HD2 ASN 691 1.090 2.906 9.567 271 2HD2 ASN 691 2HD2 ASN 691 2.610 2.197 9.306 272 H VAL 692 H VAL 692 2.411 5.277 5.824 273 HA VAL 692 HA VAL 692 4.898 6.930 6.076 274 HB VAL 692 HB VAL 692 6.058 4.934 5.022 275 1HG1 VAL 692 1HG1 VAL 692 5.400 5.454 7.682 276 2HG1 VAL 692 2HG1 VAL 692 6.646 4.341 7.118 277 3HG1 VAL 692 3HG1 VAL 692 5.026 3.743 7.475 278 1HG2 VAL 692 1HG2 VAL 692 3.364 3.690 5.635 279 2HG2 VAL 692 2HG2 VAL 692 4.824 2.746 5.339 280 3HG2 VAL 692 3HG2 VAL 692 4.168 3.780 4.068 281 HA PRO 693 HA PRO 693 2.590 7.702 2.091 282 1HB PRO 693 2HB PRO 693 3.600 10.389 2.298 283 2HB PRO 693 1HB PRO 693 1.930 9.838 2.453 284 1HG PRO 693 2HG PRO 693 3.682 10.772 4.532 285 2HG PRO 693 1HG PRO 693 2.003 10.244 4.679 286 1HD PRO 693 2HD PRO 693 4.364 8.871 5.588 287 2HD PRO 693 1HD PRO 693 2.675 8.313 5.690 288 H ALA 694 H ALA 694 5.838 8.314 3.274 289 HA ALA 694 HA ALA 694 7.240 9.172 1.023 290 1HB ALA 694 1HB ALA 694 8.179 8.732 3.268 291 2HB ALA 694 2HB ALA 694 9.123 7.906 2.028 292 3HB ALA 694 3HB ALA 694 7.977 6.999 3.013 293 H LEU 695 H LEU 695 5.819 6.010 1.638 294 HA LEU 695 HA LEU 695 6.642 5.174 -1.121 295 1HB LEU 695 2HB LEU 695 6.747 2.858 -0.147 296 2HB LEU 695 1HB LEU 695 7.930 3.961 0.551 297 HG LEU 695 HG LEU 695 6.248 4.401 2.412 298 1HD1 LEU 695 1HD1 LEU 695 4.763 2.123 2.509 299 2HD1 LEU 695 2HD1 LEU 695 4.786 2.414 0.770 300 3HD1 LEU 695 3HD1 LEU 695 4.160 3.649 1.863 301 1HD2 LEU 695 1HD2 LEU 695 8.172 2.955 2.779 302 2HD2 LEU 695 2HD2 LEU 695 7.345 1.603 2.004 303 3HD2 LEU 695 3HD2 LEU 695 6.761 2.227 3.548 304 H TRP 696 H TRP 696 4.090 5.896 0.951 305 HA TRP 696 HA TRP 696 2.213 4.046 -0.460 306 1HB TRP 696 2HB TRP 696 2.390 5.357 2.200 307 2HB TRP 696 1HB TRP 696 0.771 5.233 1.519 308 HD1 TRP 696 HD TRP 696 2.322 3.504 3.968 309 HE1 TRP 696 1HE TRP 696 2.014 0.948 3.903 310 HE3 TRP 696 3HE TRP 696 0.839 2.912 -0.890 311 HZ2 TRP 696 2HZ TRP 696 1.239 -1.079 2.044 312 HZ3 TRP 696 3HZ TRP 696 0.323 0.659 -1.774 313 HH2 TRP 696 HH TRP 696 0.518 -1.336 -0.316 314 H GLN 697 H GLN 697 1.569 5.127 -2.338 315 HA GLN 697 HA GLN 697 0.934 8.036 -2.159 316 1HB GLN 697 2HB GLN 697 2.345 7.450 -3.992 317 2HB GLN 697 1HB GLN 697 1.374 6.030 -4.382 318 1HG GLN 697 2HG GLN 697 -0.174 7.243 -5.537 319 2HG GLN 697 1HG GLN 697 -0.085 8.604 -4.418 320 1HE2 GLN 697 1HE2 GLN 697 0.936 7.479 -7.504 321 2HE2 GLN 697 2HE2 GLN 697 2.050 8.715 -7.837 322 H LEU 698 H LEU 698 -1.070 7.607 -0.894 323 HA LEU 698 HA LEU 698 -3.181 5.927 -1.819 324 1HB LEU 698 2HB LEU 698 -3.121 6.750 0.439 325 2HB LEU 698 1HB LEU 698 -3.058 8.425 -0.111 326 HG LEU 698 HG LEU 698 -5.320 8.165 -1.101 327 1HD1 LEU 698 1HD1 LEU 698 -4.927 5.572 -1.242 328 2HD1 LEU 698 2HD1 LEU 698 -6.554 6.185 -0.949 329 3HD1 LEU 698 3HD1 LEU 698 -5.588 5.571 0.393 330 1HD2 LEU 698 1HD2 LEU 698 -5.522 7.221 1.745 331 2HD2 LEU 698 2HD2 LEU 698 -6.444 8.480 0.924 332 3HD2 LEU 698 3HD2 LEU 698 -4.773 8.779 1.401 333 H GLN 699 H GLN 699 -5.214 6.599 -2.829 334 HA GLN 699 HA GLN 699 -5.058 9.118 -4.435 335 1HB GLN 699 2HB GLN 699 -5.748 7.786 -6.412 336 2HB GLN 699 1HB GLN 699 -4.210 7.214 -5.762 337 1HG GLN 699 2HG GLN 699 -5.093 5.229 -5.049 338 2HG GLN 699 1HG GLN 699 -6.645 5.954 -4.627 339 1HE2 GLN 699 1HE2 GLN 699 -8.112 6.505 -6.527 340 2HE2 GLN 699 2HE2 GLN 699 -8.011 5.548 -7.926 Start of MODEL 30 1 HA ALA 655 HA ALA 655 -6.485 -7.089 -3.418 2 1HB ALA 655 1HB ALA 655 -5.427 -5.764 -5.045 3 2HB ALA 655 2HB ALA 655 -5.338 -4.362 -3.978 4 3HB ALA 655 3HB ALA 655 -6.881 -4.829 -4.693 5 H TRP 656 H TRP 656 -5.606 -4.483 -1.206 6 HA TRP 656 HA TRP 656 -2.841 -5.127 -0.854 7 1HB TRP 656 2HB TRP 656 -3.713 -3.039 -0.080 8 2HB TRP 656 1HB TRP 656 -4.978 -3.837 0.856 9 HD1 TRP 656 HD TRP 656 -1.145 -3.436 0.803 10 HE1 TRP 656 1HE TRP 656 -0.270 -3.723 3.211 11 HE3 TRP 656 3HE TRP 656 -5.491 -4.676 3.174 12 HZ2 TRP 656 2HZ TRP 656 -1.284 -4.389 5.805 13 HZ3 TRP 656 3HZ TRP 656 -5.512 -5.130 5.609 14 HH2 TRP 656 HH TRP 656 -3.417 -4.988 6.927 15 H GLN 657 H GLN 657 -1.828 -6.563 0.593 16 HA GLN 657 HA GLN 657 -3.590 -8.301 2.276 17 1HB GLN 657 2HB GLN 657 -1.592 -9.061 0.137 18 2HB GLN 657 1HB GLN 657 -2.090 -10.204 1.385 19 1HG GLN 657 2HG GLN 657 -4.331 -8.791 0.100 20 2HG GLN 657 1HG GLN 657 -3.410 -9.821 -0.997 21 1HE2 GLN 657 1HE2 GLN 657 -5.215 -9.870 2.097 22 2HE2 GLN 657 2HE2 GLN 657 -5.528 -11.539 2.069 23 H VAL 658 H VAL 658 -2.739 -8.468 4.319 24 HA VAL 658 HA VAL 658 -0.315 -7.191 5.124 25 HB VAL 658 HB VAL 658 -0.744 -8.625 7.214 26 1HG1 VAL 658 1HG1 VAL 658 -3.223 -7.204 6.247 27 2HG1 VAL 658 2HG1 VAL 658 -1.745 -6.313 6.608 28 3HG1 VAL 658 3HG1 VAL 658 -2.542 -7.246 7.873 29 1HG2 VAL 658 1HG2 VAL 658 -2.154 -10.177 5.383 30 2HG2 VAL 658 2HG2 VAL 658 -3.422 -9.325 6.263 31 3HG2 VAL 658 3HG2 VAL 658 -2.252 -10.311 7.139 32 H ASN 659 H ASN 659 1.662 -8.225 5.930 33 HA ASN 659 HA ASN 659 3.504 -9.678 5.639 34 1HB ASN 659 2HB ASN 659 1.354 -11.030 6.648 35 2HB ASN 659 1HB ASN 659 1.691 -11.982 5.202 36 1HD2 ASN 659 1HD2 ASN 659 3.970 -10.249 7.391 37 2HD2 ASN 659 2HD2 ASN 659 4.878 -11.630 7.781 38 H THR 660 H THR 660 2.955 -8.356 3.316 39 HA THR 660 HA THR 660 3.325 -10.489 1.241 40 HB THR 660 HB THR 660 1.495 -8.071 1.228 41 HG1 THR 660 1HG THR 660 0.221 -10.126 0.432 42 1HG2 THR 660 1HG2 THR 660 2.659 -9.678 -1.004 43 2HG2 THR 660 2HG2 THR 660 2.217 -7.970 -0.960 44 3HG2 THR 660 3HG2 THR 660 0.965 -9.200 -1.130 45 H ALA 661 H ALA 661 4.590 -9.763 -0.601 46 HA ALA 661 HA ALA 661 6.350 -7.439 0.051 47 1HB ALA 661 1HB ALA 661 7.983 -8.839 -0.644 48 2HB ALA 661 2HB ALA 661 7.166 -9.087 -2.188 49 3HB ALA 661 3HB ALA 661 6.758 -10.099 -0.802 50 H TYR 662 H TYR 662 5.722 -5.585 -0.979 51 HA TYR 662 HA TYR 662 4.431 -5.793 -3.668 52 1HB TYR 662 2HB TYR 662 4.448 -3.796 -1.406 53 2HB TYR 662 1HB TYR 662 3.908 -3.322 -3.017 54 HD1 TYR 662 1HD TYR 662 2.556 -5.698 -4.020 55 HD2 TYR 662 2HD TYR 662 2.525 -4.007 -0.072 56 HE1 TYR 662 1HE TYR 662 0.345 -6.738 -3.592 57 HE2 TYR 662 2HE TYR 662 0.314 -5.048 0.357 58 HH TYR 662 HH TYR 662 -1.054 -7.399 -1.779 59 H THR 663 H THR 663 5.186 -4.324 -5.350 60 HA THR 663 HA THR 663 8.089 -3.690 -5.097 61 HB THR 663 HB THR 663 7.750 -3.439 -7.642 62 HG1 THR 663 1HG THR 663 5.481 -3.177 -7.503 63 1HG2 THR 663 1HG2 THR 663 6.947 -6.156 -6.621 64 2HG2 THR 663 2HG2 THR 663 8.557 -5.508 -6.300 65 3HG2 THR 663 3HG2 THR 663 8.020 -5.753 -7.963 66 H ALA 664 H ALA 664 8.647 -1.631 -6.533 67 HA ALA 664 HA ALA 664 7.363 0.654 -5.281 68 1HB ALA 664 1HB ALA 664 9.633 0.009 -7.041 69 2HB ALA 664 2HB ALA 664 9.520 1.209 -5.753 70 3HB ALA 664 3HB ALA 664 8.916 1.587 -7.366 71 H GLY 665 H GLY 665 5.617 1.786 -6.055 72 1HA GLY 665 2HA GLY 665 4.134 2.730 -7.640 73 2HA GLY 665 1HA GLY 665 5.095 1.993 -8.923 74 H GLN 666 H GLN 666 3.774 0.195 -6.194 75 HA GLN 666 HA GLN 666 2.328 -1.556 -8.093 76 1HB GLN 666 2HB GLN 666 3.818 -2.312 -6.173 77 2HB GLN 666 1HB GLN 666 2.573 -1.718 -5.075 78 1HG GLN 666 2HG GLN 666 2.321 -4.147 -5.524 79 2HG GLN 666 1HG GLN 666 0.926 -3.227 -6.089 80 1HE2 GLN 666 1HE2 GLN 666 3.653 -5.189 -7.122 81 2HE2 GLN 666 2HE2 GLN 666 3.258 -5.205 -8.773 82 H LEU 667 H LEU 667 0.035 -2.117 -7.655 83 HA LEU 667 HA LEU 667 -1.463 0.205 -6.488 84 1HB LEU 667 2HB LEU 667 -1.635 -0.222 -8.949 85 2HB LEU 667 1HB LEU 667 -2.290 -1.821 -8.593 86 HG LEU 667 HG LEU 667 -4.010 0.013 -9.061 87 1HD1 LEU 667 1HD1 LEU 667 -4.397 -1.078 -6.294 88 2HD1 LEU 667 2HD1 LEU 667 -4.246 -2.201 -7.644 89 3HD1 LEU 667 3HD1 LEU 667 -5.542 -1.004 -7.632 90 1HD2 LEU 667 1HD2 LEU 667 -4.332 1.746 -7.543 91 2HD2 LEU 667 2HD2 LEU 667 -2.577 1.587 -7.477 92 3HD2 LEU 667 3HD2 LEU 667 -3.576 0.862 -6.216 93 H VAL 668 H VAL 668 -2.192 -0.375 -4.471 94 HA VAL 668 HA VAL 668 -3.381 -3.113 -4.164 95 HB VAL 668 HB VAL 668 -2.373 -3.256 -2.019 96 1HG1 VAL 668 1HG1 VAL 668 -0.198 -1.668 -3.310 97 2HG1 VAL 668 2HG1 VAL 668 -0.809 -3.078 -4.175 98 3HG1 VAL 668 3HG1 VAL 668 -0.130 -3.262 -2.558 99 1HG2 VAL 668 1HG2 VAL 668 -1.756 -0.290 -2.257 100 2HG2 VAL 668 2HG2 VAL 668 -1.330 -1.322 -0.891 101 3HG2 VAL 668 3HG2 VAL 668 -3.024 -0.993 -1.253 102 H THR 669 H THR 669 -5.061 -3.148 -2.374 103 HA THR 669 HA THR 669 -6.338 -0.486 -1.927 104 HB THR 669 HB THR 669 -8.529 -1.826 -2.458 105 HG1 THR 669 1HG THR 669 -8.083 -3.460 -4.021 106 1HG2 THR 669 1HG2 THR 669 -7.116 -0.032 -3.850 107 2HG2 THR 669 2HG2 THR 669 -8.520 -0.846 -4.539 108 3HG2 THR 669 3HG2 THR 669 -6.896 -1.417 -4.919 109 H TYR 670 H TYR 670 -6.757 -0.292 0.235 110 HA TYR 670 HA TYR 670 -6.708 -2.697 1.950 111 1HB TYR 670 2HB TYR 670 -6.819 0.296 2.393 112 2HB TYR 670 1HB TYR 670 -6.885 -0.857 3.725 113 HD1 TYR 670 1HD TYR 670 -4.872 -1.420 4.738 114 HD2 TYR 670 2HD TYR 670 -4.878 -0.257 0.603 115 HE1 TYR 670 1HE TYR 670 -2.402 -1.634 4.674 116 HE2 TYR 670 2HE TYR 670 -2.409 -0.472 0.540 117 HH TYR 670 HH TYR 670 -0.493 -0.364 2.884 118 H ASN 671 H ASN 671 -8.780 -3.561 1.057 119 HA ASN 671 HA ASN 671 -11.135 -3.810 1.058 120 1HB ASN 671 2HB ASN 671 -10.161 -2.983 3.753 121 2HB ASN 671 1HB ASN 671 -11.909 -3.033 3.510 122 1HD2 ASN 671 1HD2 ASN 671 -8.988 -5.075 2.939 123 2HD2 ASN 671 2HD2 ASN 671 -9.785 -6.547 3.217 124 H GLY 672 H GLY 672 -11.433 -2.039 -0.570 125 1HA GLY 672 2HA GLY 672 -12.909 -0.285 -1.192 126 2HA GLY 672 1HA GLY 672 -13.196 0.042 0.516 127 H LYS 673 H LYS 673 -9.993 -0.057 0.530 128 HA LYS 673 HA LYS 673 -9.768 2.886 0.099 129 1HB LYS 673 2HB LYS 673 -8.450 0.768 1.732 130 2HB LYS 673 1HB LYS 673 -7.471 2.166 1.290 131 1HG LYS 673 2HG LYS 673 -10.225 2.442 2.509 132 2HG LYS 673 1HG LYS 673 -8.765 2.348 3.494 133 1HD LYS 673 2HD LYS 673 -8.143 4.229 1.525 134 2HD LYS 673 1HD LYS 673 -9.810 4.597 1.968 135 1HE LYS 673 2HE LYS 673 -8.957 4.364 4.432 136 2HE LYS 673 1HE LYS 673 -7.354 4.613 3.712 137 1HZ LYS 673 1HZ LYS 673 -8.571 6.703 4.330 138 2HZ LYS 673 2HZ LYS 673 -9.688 6.338 3.103 139 3HZ LYS 673 3HZ LYS 673 -8.058 6.622 2.717 140 H THR 674 H THR 674 -8.191 3.746 -1.314 141 HA THR 674 HA THR 674 -6.973 1.782 -3.220 142 HB THR 674 HB THR 674 -7.176 4.726 -3.730 143 HG1 THR 674 1HG THR 674 -9.399 3.994 -4.546 144 1HG2 THR 674 1HG2 THR 674 -6.237 3.472 -5.506 145 2HG2 THR 674 2HG2 THR 674 -7.915 3.729 -5.986 146 3HG2 THR 674 3HG2 THR 674 -7.418 2.174 -5.320 147 H TYR 675 H TYR 675 -4.749 1.602 -3.193 148 HA TYR 675 HA TYR 675 -3.159 3.901 -2.139 149 1HB TYR 675 2HB TYR 675 -3.358 1.077 -1.166 150 2HB TYR 675 1HB TYR 675 -1.808 1.911 -1.024 151 HD1 TYR 675 1HD TYR 675 -5.159 1.583 0.300 152 HD2 TYR 675 2HD TYR 675 -1.725 4.159 0.149 153 HE1 TYR 675 1HE TYR 675 -6.007 2.829 2.269 154 HE2 TYR 675 2HE TYR 675 -2.572 5.403 2.119 155 HH TYR 675 HH TYR 675 -5.499 5.491 3.117 156 H LYS 676 H LYS 676 -0.954 3.928 -2.893 157 HA LYS 676 HA LYS 676 -0.378 2.075 -5.183 158 1HB LYS 676 2HB LYS 676 -0.586 5.029 -4.980 159 2HB LYS 676 1HB LYS 676 0.778 4.426 -5.920 160 1HG LYS 676 2HG LYS 676 -0.653 4.163 -7.642 161 2HG LYS 676 1HG LYS 676 -1.382 2.842 -6.729 162 1HD LYS 676 2HD LYS 676 -3.163 4.356 -7.267 163 2HD LYS 676 1HD LYS 676 -2.807 4.589 -5.556 164 1HE LYS 676 2HE LYS 676 -2.632 6.803 -6.083 165 2HE LYS 676 1HE LYS 676 -1.069 6.368 -6.803 166 1HZ LYS 676 1HZ LYS 676 -2.268 5.780 -8.855 167 2HZ LYS 676 2HZ LYS 676 -2.428 7.426 -8.466 168 3HZ LYS 676 3HZ LYS 676 -3.709 6.350 -8.169 169 H CYS 677 H CYS 677 1.241 0.859 -4.129 170 HA CYS 677 HA CYS 677 3.170 1.805 -2.280 171 1HB CYS 677 2HB CYS 677 2.489 -0.574 -3.094 172 2HB CYS 677 1HB CYS 677 3.705 -0.327 -4.347 173 HG CYS 677 HG CYS 677 5.043 0.339 -1.800 174 H LEU 678 H LEU 678 5.322 2.586 -2.573 175 HA LEU 678 HA LEU 678 5.955 3.522 -5.357 176 1HB LEU 678 2HB LEU 678 5.459 4.952 -3.011 177 2HB LEU 678 1HB LEU 678 7.218 4.962 -3.152 178 HG LEU 678 HG LEU 678 5.797 5.459 -5.688 179 1HD1 LEU 678 1HD1 LEU 678 5.036 6.897 -3.285 180 2HD1 LEU 678 2HD1 LEU 678 4.380 7.033 -4.918 181 3HD1 LEU 678 3HD1 LEU 678 5.792 7.982 -4.453 182 1HD2 LEU 678 1HD2 LEU 678 8.160 6.509 -4.152 183 2HD2 LEU 678 2HD2 LEU 678 7.510 7.451 -5.494 184 3HD2 LEU 678 3HD2 LEU 678 8.108 5.815 -5.773 185 H GLN 679 H GLN 679 7.103 1.829 -2.524 186 HA GLN 679 HA GLN 679 9.724 1.418 -3.914 187 1HB GLN 679 2HB GLN 679 9.157 1.988 -0.990 188 2HB GLN 679 1HB GLN 679 10.740 1.525 -1.618 189 1HG GLN 679 2HG GLN 679 9.273 3.836 -2.857 190 2HG GLN 679 1HG GLN 679 10.154 4.072 -1.347 191 1HE2 GLN 679 1HE2 GLN 679 12.349 4.533 -1.578 192 2HE2 GLN 679 2HE2 GLN 679 13.270 4.202 -2.965 193 HA PRO 680 HA PRO 680 8.894 -2.884 -3.349 194 1HB PRO 680 2HB PRO 680 11.680 -3.493 -2.985 195 2HB PRO 680 1HB PRO 680 10.710 -3.677 -4.449 196 1HG PRO 680 2HG PRO 680 12.768 -1.748 -3.940 197 2HG PRO 680 1HG PRO 680 11.779 -1.920 -5.394 198 1HD PRO 680 2HD PRO 680 11.636 0.150 -3.378 199 2HD PRO 680 1HD PRO 680 10.660 -0.009 -4.859 200 H HIS 681 H HIS 681 7.935 -3.013 -1.260 201 HA HIS 681 HA HIS 681 9.832 -3.630 0.961 202 1HB HIS 681 2HB HIS 681 7.559 -1.622 0.957 203 2HB HIS 681 1HB HIS 681 8.372 -2.172 2.422 204 HD1 HIS 681 1HD HIS 681 11.283 -2.216 1.502 205 HD2 HIS 681 2HD HIS 681 8.667 0.900 0.594 206 HE1 HIS 681 1HE HIS 681 12.723 -0.195 0.996 207 H THR 682 H THR 682 8.258 -4.294 2.956 208 HA THR 682 HA THR 682 6.301 -6.262 1.820 209 HB THR 682 HB THR 682 7.885 -6.340 4.407 210 HG1 THR 682 1HG THR 682 9.263 -7.692 3.300 211 1HG2 THR 682 1HG2 THR 682 7.097 -8.528 4.673 212 2HG2 THR 682 2HG2 THR 682 6.656 -8.678 2.972 213 3HG2 THR 682 3HG2 THR 682 5.677 -7.686 4.052 214 H SER 683 H SER 683 4.199 -5.806 2.337 215 HA SER 683 HA SER 683 3.513 -3.749 4.291 216 1HB SER 683 2HB SER 683 2.390 -5.019 2.041 217 2HB SER 683 1HB SER 683 1.338 -5.448 3.387 218 HG SER 683 HG SER 683 1.670 -3.024 3.854 219 H LEU 684 H LEU 684 2.467 -4.109 6.315 220 HA LEU 684 HA LEU 684 1.943 -6.878 7.202 221 1HB LEU 684 2HB LEU 684 3.642 -6.923 8.849 222 2HB LEU 684 1HB LEU 684 4.443 -6.232 7.440 223 HG LEU 684 HG LEU 684 3.331 -4.728 9.825 224 1HD1 LEU 684 1HD1 LEU 684 6.058 -4.165 9.031 225 2HD1 LEU 684 2HD1 LEU 684 5.840 -5.894 9.300 226 3HD1 LEU 684 3HD1 LEU 684 5.451 -4.747 10.582 227 1HD2 LEU 684 1HD2 LEU 684 4.411 -2.752 8.543 228 2HD2 LEU 684 2HD2 LEU 684 2.841 -3.325 7.981 229 3HD2 LEU 684 3HD2 LEU 684 4.309 -3.795 7.124 230 H ALA 685 H ALA 685 1.467 -6.639 9.783 231 HA ALA 685 HA ALA 685 -0.889 -5.023 10.019 232 1HB ALA 685 1HB ALA 685 0.868 -6.687 11.782 233 2HB ALA 685 2HB ALA 685 -0.845 -6.881 11.410 234 3HB ALA 685 3HB ALA 685 -0.326 -5.643 12.552 235 H GLY 686 H GLY 686 0.550 -3.031 9.204 236 1HA GLY 686 2HA GLY 686 0.744 -1.206 11.434 237 2HA GLY 686 1HA GLY 686 2.344 -1.641 10.829 238 H TRP 687 H TRP 687 1.548 -1.948 8.063 239 HA TRP 687 HA TRP 687 1.522 0.909 7.305 240 1HB TRP 687 2HB TRP 687 1.862 -1.734 5.862 241 2HB TRP 687 1HB TRP 687 1.859 -0.187 5.015 242 HD1 TRP 687 HD TRP 687 3.324 0.651 8.156 243 HE1 TRP 687 1HE TRP 687 5.900 0.574 8.097 244 HE3 TRP 687 3HE TRP 687 4.027 -1.995 3.844 245 HZ2 TRP 687 2HZ TRP 687 7.984 -0.473 6.439 246 HZ3 TRP 687 3HZ TRP 687 6.316 -2.516 3.049 247 HH2 TRP 687 HH TRP 687 8.293 -1.759 4.339 248 H GLU 688 H GLU 688 -0.948 -0.154 8.453 249 HA GLU 688 HA GLU 688 -2.779 -0.547 6.169 250 1HB GLU 688 2HB GLU 688 -3.841 -0.142 8.918 251 2HB GLU 688 1HB GLU 688 -4.228 -1.383 7.738 252 1HG GLU 688 2HG GLU 688 -1.878 -2.330 8.209 253 2HG GLU 688 1HG GLU 688 -1.879 -1.287 9.632 254 HA PRO 689 HA PRO 689 -4.354 3.676 7.883 255 1HB PRO 689 2HB PRO 689 -2.232 4.876 9.410 256 2HB PRO 689 1HB PRO 689 -3.822 4.364 9.984 257 1HG PRO 689 2HG PRO 689 -1.326 3.176 10.613 258 2HG PRO 689 1HG PRO 689 -2.930 2.555 11.018 259 1HD PRO 689 2HD PRO 689 -1.043 1.597 8.987 260 2HD PRO 689 1HD PRO 689 -2.504 0.802 9.616 261 H SER 690 H SER 690 -1.362 2.813 6.570 262 HA SER 690 HA SER 690 0.024 3.815 4.944 263 1HB SER 690 2HB SER 690 -1.196 4.962 3.320 264 2HB SER 690 1HB SER 690 -2.497 4.151 4.186 265 HG SER 690 HG SER 690 -3.100 6.247 4.120 266 H ASN 691 H ASN 691 0.478 4.640 7.588 267 HA ASN 691 HA ASN 691 0.523 7.561 7.762 268 1HB ASN 691 2HB ASN 691 1.803 7.004 9.861 269 2HB ASN 691 1HB ASN 691 0.255 6.167 9.736 270 1HD2 ASN 691 1HD2 ASN 691 0.456 4.012 10.337 271 2HD2 ASN 691 2HD2 ASN 691 1.811 3.035 10.041 272 H VAL 692 H VAL 692 2.272 5.523 5.880 273 HA VAL 692 HA VAL 692 4.779 7.156 6.134 274 HB VAL 692 HB VAL 692 5.710 4.990 4.962 275 1HG1 VAL 692 1HG1 VAL 692 6.475 5.518 7.139 276 2HG1 VAL 692 2HG1 VAL 692 5.822 3.887 7.289 277 3HG1 VAL 692 3HG1 VAL 692 4.880 5.269 7.849 278 1HG2 VAL 692 1HG2 VAL 692 3.466 3.673 6.456 279 2HG2 VAL 692 2HG2 VAL 692 4.453 3.038 5.140 280 3HG2 VAL 692 3HG2 VAL 692 3.184 4.215 4.803 281 HA PRO 693 HA PRO 693 2.723 8.057 2.049 282 1HB PRO 693 2HB PRO 693 3.954 10.648 2.267 283 2HB PRO 693 1HB PRO 693 2.237 10.250 2.366 284 1HG PRO 693 2HG PRO 693 3.984 11.060 4.498 285 2HG PRO 693 1HG PRO 693 2.264 10.673 4.589 286 1HD PRO 693 2HD PRO 693 4.474 9.121 5.592 287 2HD PRO 693 1HD PRO 693 2.741 8.714 5.652 288 H ALA 694 H ALA 694 5.921 8.120 3.362 289 HA ALA 694 HA ALA 694 7.501 8.941 1.165 290 1HB ALA 694 1HB ALA 694 9.029 8.436 2.748 291 2HB ALA 694 2HB ALA 694 8.703 6.718 2.516 292 3HB ALA 694 3HB ALA 694 7.771 7.641 3.696 293 H LEU 695 H LEU 695 5.873 5.856 1.786 294 HA LEU 695 HA LEU 695 6.657 4.989 -0.974 295 1HB LEU 695 2HB LEU 695 6.728 2.655 0.137 296 2HB LEU 695 1HB LEU 695 8.060 3.755 0.490 297 HG LEU 695 HG LEU 695 6.859 4.465 2.568 298 1HD1 LEU 695 1HD1 LEU 695 4.853 2.601 1.415 299 2HD1 LEU 695 2HD1 LEU 695 4.616 4.025 2.428 300 3HD1 LEU 695 3HD1 LEU 695 5.098 2.494 3.158 301 1HD2 LEU 695 1HD2 LEU 695 8.060 2.871 3.618 302 2HD2 LEU 695 2HD2 LEU 695 8.290 2.093 2.053 303 3HD2 LEU 695 3HD2 LEU 695 6.944 1.614 3.087 304 H TRP 696 H TRP 696 4.135 5.692 1.127 305 HA TRP 696 HA TRP 696 2.288 3.825 -0.326 306 1HB TRP 696 2HB TRP 696 2.588 4.693 2.508 307 2HB TRP 696 1HB TRP 696 0.939 4.474 1.921 308 HD1 TRP 696 HD TRP 696 3.088 2.576 3.835 309 HE1 TRP 696 1HE TRP 696 2.992 0.047 3.360 310 HE3 TRP 696 3HE TRP 696 0.818 2.619 -0.743 311 HZ2 TRP 696 2HZ TRP 696 2.079 -1.725 1.315 312 HZ3 TRP 696 3HZ TRP 696 0.350 0.495 -1.929 313 HH2 TRP 696 HH TRP 696 0.976 -1.676 -0.908 314 H GLN 697 H GLN 697 1.717 5.311 -1.992 315 HA GLN 697 HA GLN 697 0.630 7.965 -1.172 316 1HB GLN 697 2HB GLN 697 2.199 8.082 -2.956 317 2HB GLN 697 1HB GLN 697 1.516 6.666 -3.755 318 1HG GLN 697 2HG GLN 697 0.850 8.752 -4.907 319 2HG GLN 697 1HG GLN 697 -0.551 7.920 -4.230 320 1HE2 GLN 697 1HE2 GLN 697 -1.881 9.748 -3.776 321 2HE2 GLN 697 2HE2 GLN 697 -1.431 10.979 -2.698 322 H LEU 698 H LEU 698 -1.504 7.657 -0.511 323 HA LEU 698 HA LEU 698 -3.236 5.703 -1.841 324 1HB LEU 698 2HB LEU 698 -4.576 6.042 0.010 325 2HB LEU 698 1HB LEU 698 -3.053 6.640 0.661 326 HG LEU 698 HG LEU 698 -3.963 8.911 -0.488 327 1HD1 LEU 698 1HD1 LEU 698 -6.259 7.086 -0.249 328 2HD1 LEU 698 2HD1 LEU 698 -6.100 8.577 -1.176 329 3HD1 LEU 698 3HD1 LEU 698 -6.511 8.645 0.537 330 1HD2 LEU 698 1HD2 LEU 698 -5.148 9.169 1.916 331 2HD2 LEU 698 2HD2 LEU 698 -3.394 9.159 1.732 332 3HD2 LEU 698 3HD2 LEU 698 -4.239 7.689 2.220 333 H GLN 699 H GLN 699 -5.489 6.507 -2.541 334 HA GLN 699 HA GLN 699 -5.532 9.232 -3.700 335 1HB GLN 699 2HB GLN 699 -5.809 8.342 -5.985 336 2HB GLN 699 1HB GLN 699 -4.271 7.817 -5.300 337 1HG GLN 699 2HG GLN 699 -4.997 5.623 -5.002 338 2HG GLN 699 1HG GLN 699 -6.698 6.086 -4.947 339 1HE2 GLN 699 1HE2 GLN 699 -7.397 7.236 -7.182 340 2HE2 GLN 699 2HE2 GLN 699 -6.886 6.419 -8.580
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