NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608167 | 5ks5 | 30135 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 623 HT1 GLY 623 -25.383 -5.143 15.930 2 H2 GLY 623 HT2 GLY 623 -24.486 -3.712 15.871 3 H3 GLY 623 HT3 GLY 623 -23.767 -5.139 16.425 4 HA2 GLY 623 HA1 GLY 623 -24.723 -4.636 13.666 5 HA3 GLY 623 HA2 GLY 623 -23.044 -4.641 14.183 6 H SER 624 HN SER 624 -23.997 -6.288 12.147 7 HA SER 624 HA SER 624 -24.243 -8.941 13.344 8 HB2 SER 624 HB2 SER 624 -25.773 -8.338 11.501 9 HB3 SER 624 HB1 SER 624 -24.389 -8.070 10.445 10 HG SER 624 HG SER 624 -25.606 -10.232 10.521 11 H HIS 625 HN HIS 625 -22.288 -7.333 10.848 12 HA HIS 625 HA HIS 625 -19.883 -8.573 11.828 13 HB2 HIS 625 HB2 HIS 625 -19.284 -9.650 9.677 14 HB3 HIS 625 HB1 HIS 625 -20.714 -10.381 10.394 15 HD1 HIS 625 HD1 HIS 625 -19.477 -9.238 7.250 16 HD2 HIS 625 HD2 HIS 625 -23.186 -9.177 9.139 17 HE1 HIS 625 HE1 HIS 625 -21.172 -8.874 5.425 18 HE2 HIS 625 HE2 HIS 625 -23.411 -8.956 6.577 19 H MET 626 HN MET 626 -18.190 -7.269 11.483 20 HA MET 626 HA MET 626 -18.560 -4.644 10.634 21 HB2 MET 626 HB2 MET 626 -16.727 -5.359 12.116 22 HB3 MET 626 HB1 MET 626 -15.967 -6.198 10.771 23 HG2 MET 626 HG2 MET 626 -14.896 -4.061 11.209 24 HG3 MET 626 HG1 MET 626 -15.641 -4.092 9.612 25 HE1 MET 626 HE1 MET 626 -17.368 -1.842 13.256 26 HE2 MET 626 HE2 MET 626 -15.853 -2.744 13.272 27 HE3 MET 626 HE3 MET 626 -17.388 -3.601 13.136 28 H SER 627 HN SER 627 -18.730 -3.759 8.698 29 HA SER 627 HA SER 627 -17.837 -5.334 6.368 30 HB2 SER 627 HB2 SER 627 -20.179 -3.410 6.470 31 HB3 SER 627 HB1 SER 627 -19.758 -4.511 5.157 32 HG SER 627 HG SER 627 -20.167 -5.615 7.690 33 HA PRO 628 HA PRO 628 -15.435 -1.780 5.281 34 HB2 PRO 628 HB2 PRO 628 -15.127 -2.143 2.632 35 HB3 PRO 628 HB1 PRO 628 -14.355 -3.200 3.819 36 HG2 PRO 628 HG2 PRO 628 -16.828 -3.646 2.207 37 HG3 PRO 628 HG1 PRO 628 -15.522 -4.781 2.592 38 HD2 PRO 628 HD2 PRO 628 -17.922 -4.715 3.909 39 HD3 PRO 628 HD1 PRO 628 -16.414 -5.299 4.637 40 H ASP 629 HN ASP 629 -17.751 -0.773 5.809 41 HA ASP 629 HA ASP 629 -19.166 0.373 3.598 42 HB2 ASP 629 HB2 ASP 629 -20.406 1.622 5.288 43 HB3 ASP 629 HB1 ASP 629 -20.235 -0.053 5.803 44 H ARG 630 HN ARG 630 -16.203 0.966 4.798 45 HA ARG 630 HA ARG 630 -16.217 3.853 4.421 46 HB2 ARG 630 HB2 ARG 630 -13.971 1.952 5.136 47 HB3 ARG 630 HB1 ARG 630 -13.874 3.708 5.151 48 HG2 ARG 630 HG2 ARG 630 -15.434 3.845 6.958 49 HG3 ARG 630 HG1 ARG 630 -15.765 2.116 6.865 50 HD2 ARG 630 HD2 ARG 630 -13.107 3.352 7.555 51 HD3 ARG 630 HD1 ARG 630 -14.252 2.686 8.718 52 HE ARG 630 HE ARG 630 -13.915 0.562 7.247 53 HH11 ARG 630 HH11 ARG 630 -11.486 2.876 8.223 54 HH12 ARG 630 HH12 ARG 630 -10.186 1.732 8.157 55 HH21 ARG 630 HH21 ARG 630 -12.221 -0.959 7.143 56 HH22 ARG 630 HH22 ARG 630 -10.605 -0.455 7.542 57 H CYS 631 HN CYS 631 -16.972 2.657 2.143 58 HA CYS 631 HA CYS 631 -14.902 1.741 0.448 59 HB2 CYS 631 HB2 CYS 631 -17.493 2.968 -0.479 60 HB3 CYS 631 HB1 CYS 631 -16.529 1.735 -1.281 61 HG CYS 631 HG CYS 631 -17.130 0.195 1.355 62 H GLN 632 HN GLN 632 -15.890 4.898 1.352 63 HA GLN 632 HA GLN 632 -14.637 6.135 -0.963 64 HB2 GLN 632 HB2 GLN 632 -15.433 8.239 -0.035 65 HB3 GLN 632 HB1 GLN 632 -16.737 7.065 -0.112 66 HG2 GLN 632 HG2 GLN 632 -16.488 6.619 2.275 67 HG3 GLN 632 HG1 GLN 632 -15.163 7.779 2.354 68 HE21 GLN 632 HE21 GLN 632 -17.997 8.274 0.383 69 HE22 GLN 632 HE22 GLN 632 -18.663 9.564 1.323 70 H ASP 633 HN ASP 633 -13.702 5.016 2.047 71 HA ASP 633 HA ASP 633 -12.072 7.169 2.910 72 HB2 ASP 633 HB2 ASP 633 -12.411 4.331 3.778 73 HB3 ASP 633 HB1 ASP 633 -11.060 5.274 4.396 74 H TRP 634 HN TRP 634 -11.462 4.484 0.751 75 HA TRP 634 HA TRP 634 -8.622 4.722 1.074 76 HB2 TRP 634 HB2 TRP 634 -8.413 3.171 -0.840 77 HB3 TRP 634 HB1 TRP 634 -9.420 2.551 0.452 78 HD1 TRP 634 HD1 TRP 634 -11.960 2.064 -0.094 79 HE1 TRP 634 HE1 TRP 634 -13.242 1.835 -2.312 80 HE3 TRP 634 HE3 TRP 634 -8.531 4.185 -3.250 81 HZ2 TRP 634 HZ2 TRP 634 -12.855 2.455 -5.033 82 HZ3 TRP 634 HZ3 TRP 634 -9.071 4.317 -5.648 83 HH2 TRP 634 HH2 TRP 634 -11.184 3.473 -6.519 84 H LEU 635 HN LEU 635 -11.016 6.034 -1.112 85 HA LEU 635 HA LEU 635 -9.142 7.262 -2.873 86 HB2 LEU 635 HB2 LEU 635 -11.949 8.165 -2.215 87 HB3 LEU 635 HB1 LEU 635 -10.993 8.693 -3.583 88 HG LEU 635 HG LEU 635 -11.008 6.068 -4.090 89 HD11 LEU 635 HD11 LEU 635 -12.312 5.497 -2.121 90 HD12 LEU 635 HD12 LEU 635 -13.218 5.152 -3.593 91 HD13 LEU 635 HD13 LEU 635 -13.596 6.587 -2.642 92 HD21 LEU 635 HD21 LEU 635 -11.709 7.856 -5.599 93 HD22 LEU 635 HD22 LEU 635 -13.250 7.971 -4.747 94 HD23 LEU 635 HD23 LEU 635 -12.839 6.503 -5.634 95 H GLU 636 HN GLU 636 -10.882 8.252 0.008 96 HA GLU 636 HA GLU 636 -9.998 10.893 0.190 97 HB2 GLU 636 HB2 GLU 636 -11.838 9.720 1.496 98 HB3 GLU 636 HB1 GLU 636 -10.572 9.045 2.506 99 HG2 GLU 636 HG2 GLU 636 -11.495 10.932 3.614 100 HG3 GLU 636 HG1 GLU 636 -9.871 11.354 3.075 101 H ALA 637 HN ALA 637 -8.699 7.909 1.595 102 HA ALA 637 HA ALA 637 -6.570 9.008 3.018 103 HB1 ALA 637 HB1 ALA 637 -6.696 6.285 1.733 104 HB2 ALA 637 HB2 ALA 637 -7.406 6.709 3.291 105 HB3 ALA 637 HB3 ALA 637 -5.656 6.770 3.074 106 H LEU 638 HN LEU 638 -6.621 7.687 -0.295 107 HA LEU 638 HA LEU 638 -3.848 8.251 -0.706 108 HB2 LEU 638 HB2 LEU 638 -6.076 7.223 -2.377 109 HB3 LEU 638 HB1 LEU 638 -4.711 7.929 -3.214 110 HG LEU 638 HG LEU 638 -4.569 5.469 -3.024 111 HD11 LEU 638 HD11 LEU 638 -2.421 6.892 -1.466 112 HD12 LEU 638 HD12 LEU 638 -2.547 6.849 -3.222 113 HD13 LEU 638 HD13 LEU 638 -2.268 5.360 -2.320 114 HD21 LEU 638 HD21 LEU 638 -5.667 5.188 -0.865 115 HD22 LEU 638 HD22 LEU 638 -4.313 5.982 -0.063 116 HD23 LEU 638 HD23 LEU 638 -4.073 4.434 -0.873 117 H HIS 639 HN HIS 639 -6.717 10.100 -0.949 118 HA HIS 639 HA HIS 639 -5.784 12.001 -2.863 119 HB2 HIS 639 HB2 HIS 639 -8.204 11.574 -2.241 120 HB3 HIS 639 HB1 HIS 639 -7.895 12.449 -0.747 121 HD1 HIS 639 HD1 HIS 639 -9.249 12.972 -3.972 122 HD2 HIS 639 HD2 HIS 639 -6.796 15.208 -1.470 123 HE1 HIS 639 HE1 HIS 639 -9.475 15.353 -4.752 124 HE2 HIS 639 HE2 HIS 639 -8.105 16.703 -3.125 125 H TRP 640 HN TRP 640 -5.858 11.864 0.685 126 HA TRP 640 HA TRP 640 -4.617 14.423 1.011 127 HB2 TRP 640 HB2 TRP 640 -5.069 12.120 2.908 128 HB3 TRP 640 HB1 TRP 640 -4.223 13.583 3.390 129 HD1 TRP 640 HD1 TRP 640 -7.698 12.384 2.279 130 HE1 TRP 640 HE1 TRP 640 -9.450 14.068 3.108 131 HE3 TRP 640 HE3 TRP 640 -4.549 15.962 4.146 132 HZ2 TRP 640 HZ2 TRP 640 -9.492 16.584 4.395 133 HZ3 TRP 640 HZ3 TRP 640 -5.535 17.977 5.165 134 HH2 TRP 640 HH2 TRP 640 -7.953 18.278 5.285 135 H TYR 641 HN TYR 641 -3.498 11.339 0.207 136 HA TYR 641 HA TYR 641 -1.449 10.482 -0.266 137 HB2 TYR 641 HB2 TYR 641 -1.158 12.991 -1.046 138 HB3 TYR 641 HB1 TYR 641 -0.107 13.093 0.359 139 HD1 TYR 641 HD1 TYR 641 2.045 11.957 0.382 140 HD2 TYR 641 HD2 TYR 641 -0.556 11.632 -2.963 141 HE1 TYR 641 HE1 TYR 641 3.895 11.043 -0.958 142 HE2 TYR 641 HE2 TYR 641 1.281 10.714 -4.309 143 HH TYR 641 HH TYR 641 4.239 9.670 -2.937 144 H ASN 642 HN ASN 642 0.780 10.125 0.796 145 HA ASN 642 HA ASN 642 0.839 10.718 3.639 146 HB2 ASN 642 HB2 ASN 642 -0.407 8.489 3.219 147 HB3 ASN 642 HB1 ASN 642 1.167 7.851 2.759 148 HD21 ASN 642 HD21 ASN 642 2.647 9.408 4.705 149 HD22 ASN 642 HD22 ASN 642 2.299 8.730 6.257 150 H THR 643 HN THR 643 2.668 11.887 3.371 151 HA THR 643 HA THR 643 4.778 11.026 1.611 152 HB THR 643 HB THR 643 5.924 13.108 2.464 153 HG1 THR 643 HG1 THR 643 3.403 13.566 3.735 154 HG21 THR 643 HG21 THR 643 4.402 14.638 1.311 155 HG22 THR 643 HG22 THR 643 3.117 13.435 1.399 156 HG23 THR 643 HG23 THR 643 4.556 13.117 0.430 157 H ALA 644 HN ALA 644 4.602 9.038 3.390 158 HA ALA 644 HA ALA 644 5.931 7.649 4.588 159 HB1 ALA 644 HB1 ALA 644 7.749 8.459 3.187 160 HB2 ALA 644 HB2 ALA 644 8.306 8.139 4.828 161 HB3 ALA 644 HB3 ALA 644 8.025 9.797 4.300 162 H LEU 645 HN LEU 645 6.593 10.960 5.736 163 HA LEU 645 HA LEU 645 6.977 9.962 8.424 164 HB2 LEU 645 HB2 LEU 645 7.121 12.773 7.340 165 HB3 LEU 645 HB1 LEU 645 7.646 12.261 8.933 166 HG LEU 645 HG LEU 645 8.855 11.353 6.320 167 HD11 LEU 645 HD11 LEU 645 9.340 13.693 6.821 168 HD12 LEU 645 HD12 LEU 645 10.780 12.689 6.977 169 HD13 LEU 645 HD13 LEU 645 9.922 13.230 8.419 170 HD21 LEU 645 HD21 LEU 645 9.029 9.624 8.002 171 HD22 LEU 645 HD22 LEU 645 9.646 10.787 9.173 172 HD23 LEU 645 HD23 LEU 645 10.604 10.374 7.752 173 H GLU 646 HN GLU 646 4.308 10.691 6.729 174 HA GLU 646 HA GLU 646 2.868 12.032 8.867 175 HB2 GLU 646 HB2 GLU 646 1.903 10.973 6.205 176 HB3 GLU 646 HB1 GLU 646 0.924 11.883 7.345 177 HG2 GLU 646 HG2 GLU 646 2.381 13.812 7.071 178 HG3 GLU 646 HG1 GLU 646 3.384 12.899 5.945 179 H MET 647 HN MET 647 2.216 10.833 10.539 180 HA MET 647 HA MET 647 1.713 7.992 10.191 181 HB2 MET 647 HB2 MET 647 1.547 7.872 12.582 182 HB3 MET 647 HB1 MET 647 2.937 8.873 12.191 183 HG2 MET 647 HG2 MET 647 1.634 10.881 12.654 184 HG3 MET 647 HG1 MET 647 0.224 9.888 13.015 185 HE1 MET 647 HE1 MET 647 1.353 8.005 16.249 186 HE2 MET 647 HE2 MET 647 1.571 7.438 14.596 187 HE3 MET 647 HE3 MET 647 0.069 8.232 15.064 188 H THR 648 HN THR 648 -0.265 6.988 10.584 189 HA THR 648 HA THR 648 -2.589 8.783 10.622 190 HB THR 648 HB THR 648 -3.810 6.998 9.379 191 HG1 THR 648 HG1 THR 648 -1.736 5.741 8.280 192 HG21 THR 648 HG21 THR 648 -2.776 7.462 7.197 193 HG22 THR 648 HG22 THR 648 -1.348 8.093 8.017 194 HG23 THR 648 HG23 THR 648 -2.899 8.917 8.184 195 H ASP 649 HN ASP 649 -4.587 6.952 11.087 196 HA ASP 649 HA ASP 649 -4.241 6.495 13.878 197 HB2 ASP 649 HB2 ASP 649 -6.472 5.802 11.977 198 HB3 ASP 649 HB1 ASP 649 -6.519 5.363 13.679 199 H CYS 650 HN CYS 650 -3.784 4.572 11.072 200 HA CYS 650 HA CYS 650 -3.231 2.406 10.683 201 HB2 CYS 650 HB2 CYS 650 -1.420 2.994 12.321 202 HB3 CYS 650 HB1 CYS 650 -2.430 2.342 13.604 203 HG CYS 650 HG CYS 650 -1.218 0.515 10.969 204 H ASP 651 HN ASP 651 -5.908 3.114 11.567 205 HA ASP 651 HA ASP 651 -6.862 1.046 13.297 206 HB2 ASP 651 HB2 ASP 651 -9.114 1.953 12.726 207 HB3 ASP 651 HB1 ASP 651 -7.999 3.170 13.329 208 H GLU 652 HN GLU 652 -6.075 -0.800 12.206 209 HA GLU 652 HA GLU 652 -7.800 -1.646 9.975 210 HB2 GLU 652 HB2 GLU 652 -5.530 -1.242 9.148 211 HB3 GLU 652 HB1 GLU 652 -4.872 -2.281 10.400 212 HG2 GLU 652 HG2 GLU 652 -4.928 -3.369 8.214 213 HG3 GLU 652 HG1 GLU 652 -5.916 -4.212 9.402 214 H GLY 653 HN GLY 653 -9.239 -2.674 11.368 215 HA2 GLY 653 HA2 GLY 653 -8.181 -4.688 13.200 216 HA3 GLY 653 HA1 GLY 653 -9.846 -4.135 13.111 217 H GLY 654 HN GLY 654 -11.279 -5.365 12.074 218 HA2 GLY 654 HA2 GLY 654 -10.395 -7.265 10.060 219 HA3 GLY 654 HA1 GLY 654 -11.078 -7.951 11.526 220 H GLU 655 HN GLU 655 -11.728 -6.386 8.543 221 HA GLU 655 HA GLU 655 -14.593 -6.359 9.165 222 HB2 GLU 655 HB2 GLU 655 -14.848 -4.809 7.270 223 HB3 GLU 655 HB1 GLU 655 -13.745 -4.182 8.484 224 HG2 GLU 655 HG2 GLU 655 -11.966 -5.340 6.881 225 HG3 GLU 655 HG1 GLU 655 -13.232 -5.016 5.699 226 H TYR 656 HN TYR 656 -15.751 -7.945 8.400 227 HA TYR 656 HA TYR 656 -14.647 -9.562 6.206 228 HB2 TYR 656 HB2 TYR 656 -16.426 -10.447 8.488 229 HB3 TYR 656 HB1 TYR 656 -15.790 -11.484 7.219 230 HD1 TYR 656 HD1 TYR 656 -15.159 -9.965 10.420 231 HD2 TYR 656 HD2 TYR 656 -13.295 -11.863 7.102 232 HE1 TYR 656 HE1 TYR 656 -13.174 -10.414 11.800 233 HE2 TYR 656 HE2 TYR 656 -11.304 -12.319 8.476 234 HH TYR 656 HH TYR 656 -11.286 -12.001 11.846 235 H ASP 657 HN ASP 657 -15.726 -8.414 4.584 236 HA ASP 657 HA ASP 657 -18.244 -9.503 3.915 237 HB2 ASP 657 HB2 ASP 657 -19.070 -7.797 5.480 238 HB3 ASP 657 HB1 ASP 657 -18.225 -6.555 4.565 239 H GLY 658 HN GLY 658 -17.946 -9.861 1.816 240 HA2 GLY 658 HA2 GLY 658 -17.830 -9.176 -0.430 241 HA3 GLY 658 HA1 GLY 658 -17.194 -7.625 0.102 242 H MET 659 HN MET 659 -15.360 -9.476 1.851 243 HA MET 659 HA MET 659 -13.208 -9.459 -0.087 244 HB2 MET 659 HB2 MET 659 -12.832 -8.554 2.178 245 HB3 MET 659 HB1 MET 659 -13.173 -10.137 2.862 246 HG2 MET 659 HG2 MET 659 -11.226 -11.066 1.754 247 HG3 MET 659 HG1 MET 659 -10.897 -9.510 0.992 248 HE1 MET 659 HE1 MET 659 -8.045 -10.087 3.692 249 HE2 MET 659 HE2 MET 659 -8.382 -9.892 1.972 250 HE3 MET 659 HE3 MET 659 -8.900 -11.354 2.812 251 H GLN 660 HN GLN 660 -14.542 -11.152 -1.216 252 HA GLN 660 HA GLN 660 -14.112 -13.851 -0.164 253 HB2 GLN 660 HB2 GLN 660 -15.671 -12.899 -2.581 254 HB3 GLN 660 HB1 GLN 660 -15.613 -14.552 -1.985 255 HG2 GLN 660 HG2 GLN 660 -16.744 -13.932 0.029 256 HG3 GLN 660 HG1 GLN 660 -16.653 -12.226 -0.393 257 HE21 GLN 660 HE21 GLN 660 -17.372 -14.682 -2.761 258 HE22 GLN 660 HE22 GLN 660 -19.032 -14.257 -2.979 259 H ASP 661 HN ASP 661 -11.784 -12.784 -0.703 260 HA ASP 661 HA ASP 661 -10.901 -13.966 -3.216 261 HB2 ASP 661 HB2 ASP 661 -11.528 -11.516 -3.582 262 HB3 ASP 661 HB1 ASP 661 -10.192 -11.112 -2.511 263 H GLU 662 HN GLU 662 -8.709 -14.534 -3.190 264 HA GLU 662 HA GLU 662 -7.456 -14.665 -0.595 265 HB2 GLU 662 HB2 GLU 662 -6.469 -15.516 -3.329 266 HB3 GLU 662 HB1 GLU 662 -5.644 -15.853 -1.816 267 HG2 GLU 662 HG2 GLU 662 -8.367 -16.851 -2.617 268 HG3 GLU 662 HG1 GLU 662 -6.875 -17.791 -2.572 269 HA PRO 663 HA PRO 663 -6.181 -10.503 -1.381 270 HB2 PRO 663 HB2 PRO 663 -4.646 -10.125 0.853 271 HB3 PRO 663 HB1 PRO 663 -6.411 -10.028 0.839 272 HG2 PRO 663 HG2 PRO 663 -4.647 -12.298 1.683 273 HG3 PRO 663 HG1 PRO 663 -6.137 -11.687 2.438 274 HD2 PRO 663 HD2 PRO 663 -6.121 -13.903 0.894 275 HD3 PRO 663 HD1 PRO 663 -7.507 -12.783 0.923 276 H ARG 664 HN ARG 664 -4.736 -10.128 -2.933 277 HA ARG 664 HA ARG 664 -2.162 -11.410 -2.931 278 HB2 ARG 664 HB2 ARG 664 -1.756 -10.104 -5.001 279 HB3 ARG 664 HB1 ARG 664 -3.213 -11.081 -5.054 280 HG2 ARG 664 HG2 ARG 664 -4.545 -9.065 -4.568 281 HG3 ARG 664 HG1 ARG 664 -3.062 -8.108 -4.612 282 HD2 ARG 664 HD2 ARG 664 -2.694 -8.701 -6.911 283 HD3 ARG 664 HD1 ARG 664 -4.063 -9.807 -6.891 284 HE ARG 664 HE ARG 664 -5.486 -7.811 -6.571 285 HH11 ARG 664 HH11 ARG 664 -2.277 -7.401 -7.917 286 HH12 ARG 664 HH12 ARG 664 -2.691 -5.962 -8.791 287 HH21 ARG 664 HH21 ARG 664 -6.042 -5.925 -7.757 288 HH22 ARG 664 HH22 ARG 664 -4.820 -5.133 -8.710 289 H TYR 665 HN TYR 665 -3.421 -8.377 -1.852 290 HA TYR 665 HA TYR 665 -1.068 -6.850 -2.093 291 HB2 TYR 665 HB2 TYR 665 -2.189 -5.390 -0.306 292 HB3 TYR 665 HB1 TYR 665 -3.004 -5.572 -1.853 293 HD1 TYR 665 HD1 TYR 665 -4.961 -7.147 -2.008 294 HD2 TYR 665 HD2 TYR 665 -3.241 -5.987 1.701 295 HE1 TYR 665 HE1 TYR 665 -7.018 -7.824 -0.851 296 HE2 TYR 665 HE2 TYR 665 -5.294 -6.666 2.871 297 HH TYR 665 HH TYR 665 -7.666 -6.994 2.374 298 H MET 666 HN MET 666 -2.095 -9.140 0.307 299 HA MET 666 HA MET 666 -0.225 -8.289 2.303 300 HB2 MET 666 HB2 MET 666 -1.854 -10.798 1.931 301 HB3 MET 666 HB1 MET 666 -0.681 -10.639 3.239 302 HG2 MET 666 HG2 MET 666 -1.874 -8.763 4.150 303 HG3 MET 666 HG1 MET 666 -2.982 -8.753 2.782 304 HE1 MET 666 HE1 MET 666 -5.223 -9.909 5.787 305 HE2 MET 666 HE2 MET 666 -5.076 -8.768 4.451 306 HE3 MET 666 HE3 MET 666 -3.924 -8.716 5.785 307 H MET 667 HN MET 667 -0.218 -10.641 -0.309 308 HA MET 667 HA MET 667 2.302 -11.787 0.308 309 HB2 MET 667 HB2 MET 667 0.771 -12.958 -1.158 310 HB3 MET 667 HB1 MET 667 0.754 -11.609 -2.283 311 HG2 MET 667 HG2 MET 667 3.112 -12.003 -2.793 312 HG3 MET 667 HG1 MET 667 3.126 -13.358 -1.669 313 HE1 MET 667 HE1 MET 667 1.637 -11.923 -4.977 314 HE2 MET 667 HE2 MET 667 0.165 -12.400 -4.130 315 HE3 MET 667 HE3 MET 667 0.670 -13.271 -5.577 316 H LEU 668 HN LEU 668 1.243 -9.224 -1.883 317 HA LEU 668 HA LEU 668 3.776 -8.583 -2.936 318 HB2 LEU 668 HB2 LEU 668 1.157 -7.153 -2.763 319 HB3 LEU 668 HB1 LEU 668 2.580 -6.248 -3.235 320 HG LEU 668 HG LEU 668 2.905 -7.670 -5.172 321 HD11 LEU 668 HD11 LEU 668 2.105 -9.790 -4.274 322 HD12 LEU 668 HD12 LEU 668 1.297 -9.395 -5.791 323 HD13 LEU 668 HD13 LEU 668 0.455 -9.167 -4.258 324 HD21 LEU 668 HD21 LEU 668 0.063 -6.708 -4.896 325 HD22 LEU 668 HD22 LEU 668 0.876 -7.081 -6.415 326 HD23 LEU 668 HD23 LEU 668 1.452 -5.752 -5.414 327 H ALA 669 HN ALA 669 2.098 -7.515 -0.005 328 HA ALA 669 HA ALA 669 4.001 -5.416 0.505 329 HB1 ALA 669 HB1 ALA 669 1.860 -6.595 2.272 330 HB2 ALA 669 HB2 ALA 669 1.689 -5.174 1.240 331 HB3 ALA 669 HB3 ALA 669 2.794 -5.139 2.615 332 H ARG 670 HN ARG 670 3.465 -8.748 1.475 333 HA ARG 670 HA ARG 670 5.365 -8.838 3.556 334 HB2 ARG 670 HB2 ARG 670 3.608 -10.585 3.034 335 HB3 ARG 670 HB1 ARG 670 4.639 -11.121 1.714 336 HG2 ARG 670 HG2 ARG 670 4.949 -12.530 3.646 337 HG3 ARG 670 HG1 ARG 670 6.422 -11.609 3.332 338 HD2 ARG 670 HD2 ARG 670 5.828 -11.693 5.731 339 HD3 ARG 670 HD1 ARG 670 5.877 -10.052 5.093 340 HE ARG 670 HE ARG 670 3.290 -11.409 5.200 341 HH11 ARG 670 HH11 ARG 670 5.463 -9.016 6.588 342 HH12 ARG 670 HH12 ARG 670 4.186 -8.177 7.417 343 HH21 ARG 670 HH21 ARG 670 1.633 -10.301 6.289 344 HH22 ARG 670 HH22 ARG 670 2.015 -8.899 7.243 345 H GLU 671 HN GLU 671 5.589 -9.511 0.067 346 HA GLU 671 HA GLU 671 8.352 -10.117 0.103 347 HB2 GLU 671 HB2 GLU 671 6.865 -10.727 -1.776 348 HB3 GLU 671 HB1 GLU 671 6.682 -9.023 -2.174 349 HG2 GLU 671 HG2 GLU 671 8.997 -8.841 -2.737 350 HG3 GLU 671 HG1 GLU 671 9.315 -10.477 -2.166 351 H ALA 672 HN ALA 672 6.527 -7.129 -0.487 352 HA ALA 672 HA ALA 672 8.640 -5.393 -0.957 353 HB1 ALA 672 HB1 ALA 672 6.227 -4.834 -1.135 354 HB2 ALA 672 HB2 ALA 672 7.178 -3.619 -0.287 355 HB3 ALA 672 HB3 ALA 672 6.161 -4.734 0.623 356 H GLU 673 HN GLU 673 7.318 -6.535 2.111 357 HA GLU 673 HA GLU 673 8.951 -4.981 3.814 358 HB2 GLU 673 HB2 GLU 673 6.930 -6.085 4.609 359 HB3 GLU 673 HB1 GLU 673 7.615 -7.662 4.245 360 HG2 GLU 673 HG2 GLU 673 9.312 -7.336 5.949 361 HG3 GLU 673 HG1 GLU 673 8.667 -5.733 6.299 362 H MET 674 HN MET 674 9.327 -8.157 2.326 363 HA MET 674 HA MET 674 11.792 -8.821 3.556 364 HB2 MET 674 HB2 MET 674 10.605 -9.733 0.928 365 HB3 MET 674 HB1 MET 674 12.047 -10.425 1.653 366 HG2 MET 674 HG2 MET 674 10.663 -11.001 3.649 367 HG3 MET 674 HG1 MET 674 9.246 -10.487 2.737 368 HE1 MET 674 HE1 MET 674 8.909 -14.379 2.771 369 HE2 MET 674 HE2 MET 674 8.034 -12.862 2.976 370 HE3 MET 674 HE3 MET 674 9.379 -13.255 4.045 371 H LEU 675 HN LEU 675 10.952 -6.856 0.775 372 HA LEU 675 HA LEU 675 13.709 -6.595 -0.061 373 HB2 LEU 675 HB2 LEU 675 11.065 -5.592 -1.006 374 HB3 LEU 675 HB1 LEU 675 12.495 -4.697 -1.471 375 HG LEU 675 HG LEU 675 11.791 -6.256 -3.217 376 HD11 LEU 675 HD11 LEU 675 13.937 -7.442 -3.520 377 HD12 LEU 675 HD12 LEU 675 14.395 -6.959 -1.889 378 HD13 LEU 675 HD13 LEU 675 14.116 -5.734 -3.126 379 HD21 LEU 675 HD21 LEU 675 12.385 -8.444 -1.235 380 HD22 LEU 675 HD22 LEU 675 11.923 -8.649 -2.925 381 HD23 LEU 675 HD23 LEU 675 10.778 -7.963 -1.774 382 H PHE 676 HN PHE 676 11.657 -5.176 2.223 383 HA PHE 676 HA PHE 676 12.921 -2.577 2.187 384 HB2 PHE 676 HB2 PHE 676 10.490 -2.967 2.777 385 HB3 PHE 676 HB1 PHE 676 11.045 -3.699 4.283 386 HD1 PHE 676 HD1 PHE 676 12.156 -2.309 5.994 387 HD2 PHE 676 HD2 PHE 676 10.490 -0.616 2.463 388 HE1 PHE 676 HE1 PHE 676 12.209 -0.085 7.039 389 HE2 PHE 676 HE2 PHE 676 10.547 1.612 3.503 390 HZ PHE 676 HZ PHE 676 11.407 1.878 5.794 391 H THR 677 HN THR 677 12.624 -5.153 4.666 392 HA THR 677 HA THR 677 15.013 -4.022 5.939 393 HB THR 677 HB THR 677 13.055 -4.129 7.390 394 HG1 THR 677 HG1 THR 677 15.268 -5.793 7.940 395 HG21 THR 677 HG21 THR 677 11.861 -5.986 6.373 396 HG22 THR 677 HG22 THR 677 12.119 -6.300 8.088 397 HG23 THR 677 HG23 THR 677 13.124 -7.106 6.884 398 H GLY 678 HN GLY 678 14.370 -6.379 3.790 399 HA2 GLY 678 HA2 GLY 678 15.930 -7.985 3.054 400 HA3 GLY 678 HA1 GLY 678 16.698 -7.927 4.638 401 H GLY 679 HN GLY 679 14.994 -9.891 2.673 402 HA2 GLY 679 HA2 GLY 679 13.638 -11.220 4.936 403 HA3 GLY 679 HA1 GLY 679 12.919 -11.108 3.341 404 H TYR 680 HN TYR 680 12.720 -13.384 3.381 405 HA TYR 680 HA TYR 680 14.955 -15.114 3.730 406 HB2 TYR 680 HB2 TYR 680 12.233 -15.658 2.514 407 HB3 TYR 680 HB1 TYR 680 13.407 -16.890 2.962 408 HD1 TYR 680 HD1 TYR 680 13.609 -17.636 5.198 409 HD2 TYR 680 HD2 TYR 680 11.171 -14.264 4.319 410 HE1 TYR 680 HE1 TYR 680 12.680 -17.727 7.468 411 HE2 TYR 680 HE2 TYR 680 10.237 -14.345 6.591 412 HH TYR 680 HH TYR 680 11.601 -16.204 9.073 413 H GLY 681 HN GLY 681 16.492 -14.255 2.222 414 HA2 GLY 681 HA2 GLY 681 17.686 -14.803 0.276 415 HA3 GLY 681 HA1 GLY 681 16.215 -15.494 -0.403 416 H LEU 682 HN LEU 682 15.660 -12.471 0.951 417 HA LEU 682 HA LEU 682 15.839 -11.210 -1.697 418 HB2 LEU 682 HB2 LEU 682 13.902 -10.798 0.564 419 HB3 LEU 682 HB1 LEU 682 14.130 -9.578 -0.668 420 HG LEU 682 HG LEU 682 12.176 -10.816 -1.225 421 HD11 LEU 682 HD11 LEU 682 12.688 -11.652 -3.417 422 HD12 LEU 682 HD12 LEU 682 14.388 -11.826 -2.994 423 HD13 LEU 682 HD13 LEU 682 13.665 -10.220 -3.092 424 HD21 LEU 682 HD21 LEU 682 12.172 -13.238 -1.571 425 HD22 LEU 682 HD22 LEU 682 12.561 -12.813 0.095 426 HD23 LEU 682 HD23 LEU 682 13.841 -13.317 -1.010 427 H GLU 683 HN GLU 683 17.364 -9.738 -1.884 428 HA GLU 683 HA GLU 683 18.687 -8.594 0.400 429 HB2 GLU 683 HB2 GLU 683 18.945 -8.012 -2.558 430 HB3 GLU 683 HB1 GLU 683 19.940 -7.269 -1.320 431 HG2 GLU 683 HG2 GLU 683 21.204 -9.010 -2.293 432 HG3 GLU 683 HG1 GLU 683 20.722 -9.552 -0.688 433 H LYS 684 HN LYS 684 18.469 -6.548 1.208 434 HA LYS 684 HA LYS 684 16.020 -5.227 0.863 435 HB2 LYS 684 HB2 LYS 684 16.909 -3.482 2.293 436 HB3 LYS 684 HB1 LYS 684 17.357 -5.058 2.923 437 HG2 LYS 684 HG2 LYS 684 19.606 -4.782 1.942 438 HG3 LYS 684 HG1 LYS 684 19.144 -3.172 1.388 439 HD2 LYS 684 HD2 LYS 684 19.216 -4.106 4.260 440 HD3 LYS 684 HD1 LYS 684 20.421 -3.077 3.480 441 HE2 LYS 684 HE2 LYS 684 18.659 -1.386 3.073 442 HE3 LYS 684 HE1 LYS 684 17.511 -2.411 3.936 443 HZ1 LYS 684 HZ1 LYS 684 18.942 -2.231 5.903 444 HZ2 LYS 684 HZ2 LYS 684 18.349 -0.731 5.400 445 HZ3 LYS 684 HZ3 LYS 684 19.953 -1.161 5.069 446 H ASP 685 HN ASP 685 15.323 -3.837 -0.579 447 HA ASP 685 HA ASP 685 17.175 -2.150 -2.073 448 HB2 ASP 685 HB2 ASP 685 16.984 -4.240 -3.413 449 HB3 ASP 685 HB1 ASP 685 15.235 -4.021 -3.460 450 HA PRO 686 HA PRO 686 13.629 0.318 -0.635 451 HB2 PRO 686 HB2 PRO 686 15.240 2.370 -2.085 452 HB3 PRO 686 HB1 PRO 686 14.498 2.446 -0.479 453 HG2 PRO 686 HG2 PRO 686 17.113 2.082 -0.733 454 HG3 PRO 686 HG1 PRO 686 16.192 1.200 0.504 455 HD2 PRO 686 HD2 PRO 686 17.271 0.219 -2.115 456 HD3 PRO 686 HD1 PRO 686 17.150 -0.627 -0.551 457 H GLN 687 HN GLN 687 14.956 0.228 -3.897 458 HA GLN 687 HA GLN 687 12.873 1.748 -5.100 459 HB2 GLN 687 HB2 GLN 687 15.098 1.515 -6.119 460 HB3 GLN 687 HB1 GLN 687 14.820 -0.204 -6.338 461 HG2 GLN 687 HG2 GLN 687 14.527 1.083 -8.403 462 HG3 GLN 687 HG1 GLN 687 13.063 0.229 -7.920 463 HE21 GLN 687 HE21 GLN 687 11.245 1.371 -7.421 464 HE22 GLN 687 HE22 GLN 687 11.125 3.091 -7.598 465 H ARG 688 HN ARG 688 13.608 -1.759 -5.115 466 HA ARG 688 HA ARG 688 11.178 -2.446 -6.416 467 HB2 ARG 688 HB2 ARG 688 13.138 -3.925 -6.467 468 HB3 ARG 688 HB1 ARG 688 13.030 -4.139 -4.726 469 HG2 ARG 688 HG2 ARG 688 10.878 -5.244 -4.978 470 HG3 ARG 688 HG1 ARG 688 10.951 -5.004 -6.723 471 HD2 ARG 688 HD2 ARG 688 12.833 -6.451 -6.919 472 HD3 ARG 688 HD1 ARG 688 13.032 -6.523 -5.170 473 HE ARG 688 HE ARG 688 10.485 -7.480 -5.753 474 HH11 ARG 688 HH11 ARG 688 13.801 -8.378 -6.418 475 HH12 ARG 688 HH12 ARG 688 13.464 -10.080 -6.461 476 HH21 ARG 688 HH21 ARG 688 10.034 -9.719 -5.767 477 HH22 ARG 688 HH22 ARG 688 11.327 -10.842 -6.100 478 H SER 689 HN SER 689 12.195 -2.133 -3.077 479 HA SER 689 HA SER 689 10.026 -3.263 -1.779 480 HB2 SER 689 HB2 SER 689 12.116 -2.386 -0.689 481 HB3 SER 689 HB1 SER 689 11.474 -0.757 -0.902 482 HG SER 689 HG SER 689 10.416 -2.863 0.675 483 H GLY 690 HN GLY 690 10.401 0.167 -2.901 484 HA2 GLY 690 HA2 GLY 690 7.822 0.903 -2.034 485 HA3 GLY 690 HA1 GLY 690 8.847 1.783 -3.168 486 H ASP 691 HN ASP 691 9.070 -0.393 -5.075 487 HA ASP 691 HA ASP 691 6.742 0.172 -6.604 488 HB2 ASP 691 HB2 ASP 691 8.989 -1.806 -6.962 489 HB3 ASP 691 HB1 ASP 691 7.616 -1.761 -8.066 490 H LEU 692 HN LEU 692 7.705 -2.540 -4.574 491 HA LEU 692 HA LEU 692 5.428 -4.131 -5.247 492 HB2 LEU 692 HB2 LEU 692 7.450 -4.244 -3.026 493 HB3 LEU 692 HB1 LEU 692 6.091 -5.350 -3.103 494 HG LEU 692 HG LEU 692 8.010 -5.087 -5.398 495 HD11 LEU 692 HD11 LEU 692 9.341 -5.621 -3.430 496 HD12 LEU 692 HD12 LEU 692 9.198 -7.030 -4.481 497 HD13 LEU 692 HD13 LEU 692 8.228 -6.922 -3.014 498 HD21 LEU 692 HD21 LEU 692 7.206 -7.349 -5.877 499 HD22 LEU 692 HD22 LEU 692 5.874 -6.192 -5.816 500 HD23 LEU 692 HD23 LEU 692 6.162 -7.278 -4.456 501 H TYR 693 HN TYR 693 6.196 -1.815 -2.688 502 HA TYR 693 HA TYR 693 3.830 -2.305 -1.196 503 HB2 TYR 693 HB2 TYR 693 5.963 -0.233 -1.127 504 HB3 TYR 693 HB1 TYR 693 4.412 0.175 -0.381 505 HD1 TYR 693 HD1 TYR 693 3.485 -2.137 0.925 506 HD2 TYR 693 HD2 TYR 693 7.517 -0.844 0.498 507 HE1 TYR 693 HE1 TYR 693 4.093 -3.378 2.954 508 HE2 TYR 693 HE2 TYR 693 8.133 -2.088 2.526 509 HH TYR 693 HH TYR 693 6.110 -4.398 3.937 510 H THR 694 HN THR 694 4.584 -0.110 -3.852 511 HA THR 694 HA THR 694 2.152 1.366 -3.643 512 HB THR 694 HB THR 694 2.634 2.007 -6.055 513 HG1 THR 694 HG1 THR 694 5.169 1.340 -6.176 514 HG21 THR 694 HG21 THR 694 3.367 3.376 -4.156 515 HG22 THR 694 HG22 THR 694 4.541 3.419 -5.470 516 HG23 THR 694 HG23 THR 694 4.851 2.429 -4.044 517 H GLN 695 HN GLN 695 3.166 -1.495 -5.462 518 HA GLN 695 HA GLN 695 0.729 -1.877 -6.854 519 HB2 GLN 695 HB2 GLN 695 2.905 -3.794 -6.016 520 HB3 GLN 695 HB1 GLN 695 1.520 -4.286 -6.980 521 HG2 GLN 695 HG2 GLN 695 2.169 -2.798 -8.755 522 HG3 GLN 695 HG1 GLN 695 3.493 -2.156 -7.780 523 HE21 GLN 695 HE21 GLN 695 5.341 -3.411 -7.473 524 HE22 GLN 695 HE22 GLN 695 5.680 -4.812 -8.438 525 H ALA 696 HN ALA 696 1.965 -3.056 -3.747 526 HA ALA 696 HA ALA 696 -0.209 -4.626 -3.022 527 HB1 ALA 696 HB1 ALA 696 1.584 -3.017 -1.208 528 HB2 ALA 696 HB2 ALA 696 1.926 -4.635 -1.821 529 HB3 ALA 696 HB3 ALA 696 0.566 -4.374 -0.730 530 H ALA 697 HN ALA 697 0.329 -1.110 -2.607 531 HA ALA 697 HA ALA 697 -1.977 -0.638 -1.084 532 HB1 ALA 697 HB1 ALA 697 -0.589 1.253 -2.978 533 HB2 ALA 697 HB2 ALA 697 -0.106 0.957 -1.308 534 HB3 ALA 697 HB3 ALA 697 -1.671 1.691 -1.656 535 H GLU 698 HN GLU 698 -1.401 -0.732 -4.568 536 HA GLU 698 HA GLU 698 -3.903 0.204 -5.412 537 HB2 GLU 698 HB2 GLU 698 -2.034 -1.797 -6.682 538 HB3 GLU 698 HB1 GLU 698 -3.471 -1.168 -7.476 539 HG2 GLU 698 HG2 GLU 698 -2.527 1.111 -7.266 540 HG3 GLU 698 HG1 GLU 698 -1.053 0.395 -6.610 541 H ALA 699 HN ALA 699 -2.777 -3.066 -4.653 542 HA ALA 699 HA ALA 699 -5.253 -4.322 -5.281 543 HB1 ALA 699 HB1 ALA 699 -3.261 -5.617 -5.402 544 HB2 ALA 699 HB2 ALA 699 -4.222 -6.267 -4.072 545 HB3 ALA 699 HB3 ALA 699 -2.835 -5.231 -3.738 546 H ALA 700 HN ALA 700 -3.909 -2.838 -2.438 547 HA ALA 700 HA ALA 700 -5.741 -3.973 -0.568 548 HB1 ALA 700 HB1 ALA 700 -4.118 -1.448 -0.314 549 HB2 ALA 700 HB2 ALA 700 -3.558 -3.069 0.094 550 HB3 ALA 700 HB3 ALA 700 -4.885 -2.342 0.999 551 H MET 701 HN MET 701 -5.565 -0.771 -2.163 552 HA MET 701 HA MET 701 -8.038 0.108 -1.074 553 HB2 MET 701 HB2 MET 701 -7.886 1.980 -2.574 554 HB3 MET 701 HB1 MET 701 -6.280 1.647 -1.949 555 HG2 MET 701 HG2 MET 701 -5.680 0.552 -4.034 556 HG3 MET 701 HG1 MET 701 -7.304 0.837 -4.660 557 HE1 MET 701 HE1 MET 701 -5.188 3.340 -6.793 558 HE2 MET 701 HE2 MET 701 -6.324 1.992 -6.818 559 HE3 MET 701 HE3 MET 701 -4.674 1.743 -6.253 560 H GLU 702 HN GLU 702 -7.168 -1.855 -3.771 561 HA GLU 702 HA GLU 702 -9.646 -1.760 -5.159 562 HB2 GLU 702 HB2 GLU 702 -7.572 -2.612 -6.168 563 HB3 GLU 702 HB1 GLU 702 -7.554 -3.936 -5.017 564 HG2 GLU 702 HG2 GLU 702 -9.576 -4.840 -5.975 565 HG3 GLU 702 HG1 GLU 702 -9.692 -3.468 -7.078 566 H ALA 703 HN ALA 703 -8.418 -3.554 -2.431 567 HA ALA 703 HA ALA 703 -10.740 -5.292 -2.304 568 HB1 ALA 703 HB1 ALA 703 -8.536 -6.196 -1.760 569 HB2 ALA 703 HB2 ALA 703 -9.629 -6.299 -0.379 570 HB3 ALA 703 HB3 ALA 703 -8.388 -5.048 -0.430 571 H MET 704 HN MET 704 -10.706 -2.256 -1.852 572 HA MET 704 HA MET 704 -12.087 -0.812 -0.779 573 HB2 MET 704 HB2 MET 704 -13.230 -3.244 0.614 574 HB3 MET 704 HB1 MET 704 -13.979 -1.657 0.497 575 HG2 MET 704 HG2 MET 704 -14.214 -1.909 -1.900 576 HG3 MET 704 HG1 MET 704 -13.377 -3.457 -1.839 577 HE1 MET 704 HE1 MET 704 -17.577 -2.649 -0.120 578 HE2 MET 704 HE2 MET 704 -16.649 -1.489 -1.072 579 HE3 MET 704 HE3 MET 704 -16.120 -1.922 0.555 580 H LYS 705 HN LYS 705 -9.547 -2.076 0.479 581 HA LYS 705 HA LYS 705 -10.035 -1.243 3.255 582 HB2 LYS 705 HB2 LYS 705 -8.054 -3.136 2.029 583 HB3 LYS 705 HB1 LYS 705 -7.769 -2.438 3.618 584 HG2 LYS 705 HG2 LYS 705 -9.881 -3.374 4.414 585 HG3 LYS 705 HG1 LYS 705 -10.167 -4.074 2.818 586 HD2 LYS 705 HD2 LYS 705 -8.356 -5.557 3.030 587 HD3 LYS 705 HD1 LYS 705 -7.697 -4.678 4.410 588 HE2 LYS 705 HE2 LYS 705 -10.320 -6.160 4.413 589 HE3 LYS 705 HE1 LYS 705 -8.798 -6.806 5.030 590 HZ1 LYS 705 HZ1 LYS 705 -10.209 -4.390 6.045 591 HZ2 LYS 705 HZ2 LYS 705 -8.722 -4.967 6.618 592 HZ3 LYS 705 HZ3 LYS 705 -10.120 -5.895 6.811 593 H GLY 706 HN GLY 706 -9.865 0.966 2.830 594 HA2 GLY 706 HA2 GLY 706 -7.720 2.198 1.494 595 HA3 GLY 706 HA1 GLY 706 -8.804 2.983 2.630 596 H ARG 707 HN ARG 707 -8.089 1.274 4.880 597 HA ARG 707 HA ARG 707 -6.010 2.836 5.926 598 HB2 ARG 707 HB2 ARG 707 -7.678 1.645 7.313 599 HB3 ARG 707 HB1 ARG 707 -6.928 0.117 6.877 600 HG2 ARG 707 HG2 ARG 707 -6.093 0.617 8.996 601 HG3 ARG 707 HG1 ARG 707 -4.792 1.055 7.889 602 HD2 ARG 707 HD2 ARG 707 -6.794 2.989 9.042 603 HD3 ARG 707 HD1 ARG 707 -5.189 2.707 9.703 604 HE ARG 707 HE ARG 707 -4.569 3.413 7.224 605 HH11 ARG 707 HH11 ARG 707 -6.876 4.805 9.469 606 HH12 ARG 707 HH12 ARG 707 -6.716 6.417 8.830 607 HH21 ARG 707 HH21 ARG 707 -4.354 5.541 6.385 608 HH22 ARG 707 HH22 ARG 707 -5.310 6.826 7.050 609 H LEU 708 HN LEU 708 -5.984 -0.481 4.664 610 HA LEU 708 HA LEU 708 -3.232 -0.947 5.101 611 HB2 LEU 708 HB2 LEU 708 -5.251 -2.181 3.243 612 HB3 LEU 708 HB1 LEU 708 -3.574 -2.689 3.246 613 HG LEU 708 HG LEU 708 -5.470 -2.871 5.593 614 HD11 LEU 708 HD11 LEU 708 -5.912 -4.444 3.726 615 HD12 LEU 708 HD12 LEU 708 -5.419 -5.240 5.221 616 HD13 LEU 708 HD13 LEU 708 -4.266 -5.052 3.901 617 HD21 LEU 708 HD21 LEU 708 -3.650 -4.204 6.612 618 HD22 LEU 708 HD22 LEU 708 -3.217 -2.512 6.374 619 HD23 LEU 708 HD23 LEU 708 -2.603 -3.744 5.269 620 H ALA 709 HN ALA 709 -5.046 0.194 2.286 621 HA ALA 709 HA ALA 709 -2.941 0.381 0.472 622 HB1 ALA 709 HB1 ALA 709 -5.292 0.622 -0.158 623 HB2 ALA 709 HB2 ALA 709 -4.325 1.979 -0.738 624 HB3 ALA 709 HB3 ALA 709 -5.354 2.172 0.681 625 H ASN 710 HN ASN 710 -4.140 2.712 2.824 626 HA ASN 710 HA ASN 710 -2.375 4.806 2.197 627 HB2 ASN 710 HB2 ASN 710 -4.229 5.387 3.522 628 HB3 ASN 710 HB1 ASN 710 -3.934 4.087 4.665 629 HD21 ASN 710 HD21 ASN 710 -2.855 7.257 3.606 630 HD22 ASN 710 HD22 ASN 710 -1.977 7.636 5.047 631 H GLN 711 HN GLN 711 -2.137 2.253 4.682 632 HA GLN 711 HA GLN 711 0.321 3.096 5.730 633 HB2 GLN 711 HB2 GLN 711 -0.943 0.358 5.683 634 HB3 GLN 711 HB1 GLN 711 0.512 0.743 6.589 635 HG2 GLN 711 HG2 GLN 711 -0.774 2.454 7.837 636 HG3 GLN 711 HG1 GLN 711 -2.227 1.922 6.993 637 HE21 GLN 711 HE21 GLN 711 -3.083 -0.123 7.455 638 HE22 GLN 711 HE22 GLN 711 -2.648 -0.993 8.887 639 H TYR 712 HN TYR 712 -0.317 0.531 3.327 640 HA TYR 712 HA TYR 712 2.365 -0.060 2.818 641 HB2 TYR 712 HB2 TYR 712 0.012 -0.261 0.927 642 HB3 TYR 712 HB1 TYR 712 1.596 -0.993 0.647 643 HD1 TYR 712 HD1 TYR 712 2.128 -1.922 3.493 644 HD2 TYR 712 HD2 TYR 712 -1.318 -2.189 1.028 645 HE1 TYR 712 HE1 TYR 712 1.408 -3.925 4.725 646 HE2 TYR 712 HE2 TYR 712 -2.050 -4.188 2.250 647 HH TYR 712 HH TYR 712 -0.692 -5.148 5.192 648 H TYR 713 HN TYR 713 0.338 2.515 1.491 649 HA TYR 713 HA TYR 713 2.285 3.339 -0.440 650 HB2 TYR 713 HB2 TYR 713 -0.244 3.909 -0.384 651 HB3 TYR 713 HB1 TYR 713 0.212 5.172 0.756 652 HD1 TYR 713 HD1 TYR 713 1.097 7.218 0.002 653 HD2 TYR 713 HD2 TYR 713 0.819 3.926 -2.679 654 HE1 TYR 713 HE1 TYR 713 1.682 8.699 -1.872 655 HE2 TYR 713 HE2 TYR 713 1.401 5.398 -4.558 656 HH TYR 713 HH TYR 713 2.664 8.506 -4.139 657 H GLN 714 HN GLN 714 1.508 4.199 2.876 658 HA GLN 714 HA GLN 714 3.324 6.297 3.285 659 HB2 GLN 714 HB2 GLN 714 1.579 5.685 4.898 660 HB3 GLN 714 HB1 GLN 714 2.367 4.142 5.186 661 HG2 GLN 714 HG2 GLN 714 4.365 5.472 5.989 662 HG3 GLN 714 HG1 GLN 714 3.303 6.881 5.971 663 HE21 GLN 714 HE21 GLN 714 1.530 6.945 7.404 664 HE22 GLN 714 HE22 GLN 714 1.481 5.947 8.816 665 H LYS 715 HN LYS 715 3.732 2.879 2.979 666 HA LYS 715 HA LYS 715 6.324 2.870 4.300 667 HB2 LYS 715 HB2 LYS 715 4.379 0.972 4.178 668 HB3 LYS 715 HB1 LYS 715 5.393 0.464 2.832 669 HG2 LYS 715 HG2 LYS 715 6.251 -0.743 4.605 670 HG3 LYS 715 HG1 LYS 715 7.333 0.653 4.538 671 HD2 LYS 715 HD2 LYS 715 5.807 1.741 6.249 672 HD3 LYS 715 HD1 LYS 715 5.050 0.160 6.437 673 HE2 LYS 715 HE2 LYS 715 6.686 0.390 8.162 674 HE3 LYS 715 HE1 LYS 715 7.305 -0.766 6.980 675 HZ1 LYS 715 HZ1 LYS 715 8.963 0.883 7.734 676 HZ2 LYS 715 HZ2 LYS 715 8.032 2.115 7.030 677 HZ3 LYS 715 HZ3 LYS 715 8.716 0.904 6.062 678 H ALA 716 HN ALA 716 4.844 2.759 1.146 679 HA ALA 716 HA ALA 716 7.138 2.200 -0.397 680 HB1 ALA 716 HB1 ALA 716 4.678 3.800 -1.106 681 HB2 ALA 716 HB2 ALA 716 4.887 2.065 -1.333 682 HB3 ALA 716 HB3 ALA 716 5.869 3.200 -2.259 683 H GLU 717 HN GLU 717 5.683 5.199 0.782 684 HA GLU 717 HA GLU 717 7.533 6.931 -0.451 685 HB2 GLU 717 HB2 GLU 717 5.739 7.252 1.948 686 HB3 GLU 717 HB1 GLU 717 6.747 8.553 1.330 687 HG2 GLU 717 HG2 GLU 717 4.600 7.125 -0.223 688 HG3 GLU 717 HG1 GLU 717 4.442 8.711 0.533 689 H GLU 718 HN GLU 718 7.410 5.450 2.786 690 HA GLU 718 HA GLU 718 9.739 6.586 3.828 691 HB2 GLU 718 HB2 GLU 718 8.437 3.921 4.310 692 HB3 GLU 718 HB1 GLU 718 9.888 4.411 5.170 693 HG2 GLU 718 HG2 GLU 718 8.616 6.428 5.950 694 HG3 GLU 718 HG1 GLU 718 7.170 5.685 5.261 695 H ALA 719 HN ALA 719 9.299 3.695 1.849 696 HA ALA 719 HA ALA 719 11.877 2.668 1.936 697 HB1 ALA 719 HB1 ALA 719 11.341 1.570 -0.191 698 HB2 ALA 719 HB2 ALA 719 9.931 2.614 -0.369 699 HB3 ALA 719 HB3 ALA 719 10.009 1.454 0.958 700 H TRP 720 HN TRP 720 10.495 4.978 -0.400 701 HA TRP 720 HA TRP 720 13.043 5.362 -1.674 702 HB2 TRP 720 HB2 TRP 720 10.467 6.924 -1.940 703 HB3 TRP 720 HB1 TRP 720 11.897 7.171 -2.940 704 HD1 TRP 720 HD1 TRP 720 12.429 3.880 -3.162 705 HE1 TRP 720 HE1 TRP 720 11.000 2.591 -4.864 706 HE3 TRP 720 HE3 TRP 720 8.591 7.235 -3.738 707 HZ2 TRP 720 HZ2 TRP 720 8.588 2.945 -6.280 708 HZ3 TRP 720 HZ3 TRP 720 6.774 6.679 -5.290 709 HH2 TRP 720 HH2 TRP 720 6.770 4.581 -6.535 710 H ALA 721 HN ALA 721 11.266 6.996 0.873 711 HA ALA 721 HA ALA 721 12.701 9.398 0.941 712 HB1 ALA 721 HB1 ALA 721 10.618 9.020 2.182 713 HB2 ALA 721 HB2 ALA 721 11.904 9.631 3.222 714 HB3 ALA 721 HB3 ALA 721 11.474 7.921 3.265 715 H GLN 722 HN GLN 722 13.457 6.219 2.157 716 HA GLN 722 HA GLN 722 15.626 6.898 3.816 717 HB2 GLN 722 HB2 GLN 722 14.982 4.381 2.291 718 HB3 GLN 722 HB1 GLN 722 16.352 4.511 3.383 719 HG2 GLN 722 HG2 GLN 722 14.880 4.944 5.244 720 HG3 GLN 722 HG1 GLN 722 13.481 4.943 4.174 721 HE21 GLN 722 HE21 GLN 722 14.480 2.709 2.584 722 HE22 GLN 722 HE22 GLN 722 14.289 1.296 3.558 723 H MET 723 HN MET 723 15.340 6.981 0.420 724 HA MET 723 HA MET 723 18.196 6.687 -0.035 725 HB2 MET 723 HB2 MET 723 15.896 7.202 -1.918 726 HB3 MET 723 HB1 MET 723 17.575 7.128 -2.434 727 HG2 MET 723 HG2 MET 723 16.028 4.900 -1.126 728 HG3 MET 723 HG1 MET 723 16.422 5.027 -2.837 729 HE1 MET 723 HE1 MET 723 19.429 6.175 -2.708 730 HE2 MET 723 HE2 MET 723 18.889 4.905 -3.804 731 HE3 MET 723 HE3 MET 723 20.325 4.660 -2.810 732 H GLU 724 HN GLU 724 16.073 9.156 0.807 733 HA GLU 724 HA GLU 724 17.979 11.180 -0.160 734 HB2 GLU 724 HB2 GLU 724 16.101 12.757 -0.345 735 HB3 GLU 724 HB1 GLU 724 15.889 11.364 -1.395 736 HG2 GLU 724 HG2 GLU 724 14.376 10.375 0.292 737 HG3 GLU 724 HG1 GLU 724 14.524 11.854 1.238 738 H GLU 725 HN GLU 725 17.921 9.694 2.315 739 HA GLU 725 HA GLU 725 17.583 11.921 4.201 740 HB2 GLU 725 HB2 GLU 725 15.865 10.225 4.593 741 HB3 GLU 725 HB1 GLU 725 17.093 8.978 4.712 742 HG2 GLU 725 HG2 GLU 725 16.302 9.594 6.906 743 HG3 GLU 725 HG1 GLU 725 17.991 10.057 6.716 Start of MODEL 2 1 H1 GLY 623 HT1 GLY 623 -19.092 -2.586 2.367 2 H2 GLY 623 HT2 GLY 623 -19.985 -3.977 1.995 3 H3 GLY 623 HT3 GLY 623 -18.305 -4.067 2.135 4 HA2 GLY 623 HA1 GLY 623 -19.373 -4.989 4.084 5 HA3 GLY 623 HA2 GLY 623 -18.416 -3.568 4.473 6 H SER 624 HN SER 624 -19.641 -3.206 6.353 7 HA SER 624 HA SER 624 -21.990 -1.613 5.894 8 HB2 SER 624 HB2 SER 624 -22.937 -3.910 5.963 9 HB3 SER 624 HB1 SER 624 -22.245 -4.126 7.568 10 HG SER 624 HG SER 624 -23.560 -1.963 7.849 11 H HIS 625 HN HIS 625 -19.840 -3.202 8.198 12 HA HIS 625 HA HIS 625 -20.351 -1.084 10.159 13 HB2 HIS 625 HB2 HIS 625 -19.007 -3.780 10.380 14 HB3 HIS 625 HB1 HIS 625 -18.942 -2.581 11.665 15 HD1 HIS 625 HD1 HIS 625 -20.598 -3.034 13.412 16 HD2 HIS 625 HD2 HIS 625 -21.972 -4.205 9.668 17 HE1 HIS 625 HE1 HIS 625 -22.899 -3.975 13.798 18 HE2 HIS 625 HE2 HIS 625 -23.782 -4.486 11.495 19 H MET 626 HN MET 626 -19.188 0.632 9.421 20 HA MET 626 HA MET 626 -17.390 1.992 9.141 21 HB2 MET 626 HB2 MET 626 -16.165 -0.167 10.839 22 HB3 MET 626 HB1 MET 626 -15.231 1.222 10.303 23 HG2 MET 626 HG2 MET 626 -17.770 1.389 11.905 24 HG3 MET 626 HG1 MET 626 -16.146 1.436 12.588 25 HE1 MET 626 HE1 MET 626 -16.489 3.718 13.791 26 HE2 MET 626 HE2 MET 626 -18.173 3.690 13.270 27 HE3 MET 626 HE3 MET 626 -17.198 5.140 13.027 28 H SER 627 HN SER 627 -17.920 -0.181 7.179 29 HA SER 627 HA SER 627 -15.323 -1.016 6.255 30 HB2 SER 627 HB2 SER 627 -17.949 -1.274 4.784 31 HB3 SER 627 HB1 SER 627 -16.496 -2.254 4.586 32 HG SER 627 HG SER 627 -16.907 -2.729 6.967 33 HA PRO 628 HA PRO 628 -14.639 2.556 3.695 34 HB2 PRO 628 HB2 PRO 628 -12.776 0.974 2.102 35 HB3 PRO 628 HB1 PRO 628 -12.442 2.311 3.204 36 HG2 PRO 628 HG2 PRO 628 -11.732 -0.231 3.762 37 HG3 PRO 628 HG1 PRO 628 -12.199 0.927 5.022 38 HD2 PRO 628 HD2 PRO 628 -13.831 -1.251 3.754 39 HD3 PRO 628 HD1 PRO 628 -13.696 -0.793 5.465 40 H ASP 629 HN ASP 629 -16.953 1.334 2.929 41 HA ASP 629 HA ASP 629 -16.976 0.416 0.251 42 HB2 ASP 629 HB2 ASP 629 -19.137 1.580 2.002 43 HB3 ASP 629 HB1 ASP 629 -19.443 1.050 0.353 44 H ARG 630 HN ARG 630 -17.088 3.572 1.711 45 HA ARG 630 HA ARG 630 -17.631 4.915 -0.797 46 HB2 ARG 630 HB2 ARG 630 -18.452 5.840 1.349 47 HB3 ARG 630 HB1 ARG 630 -16.793 6.036 1.889 48 HG2 ARG 630 HG2 ARG 630 -16.395 7.645 0.099 49 HG3 ARG 630 HG1 ARG 630 -18.061 7.446 -0.448 50 HD2 ARG 630 HD2 ARG 630 -17.773 9.454 0.938 51 HD3 ARG 630 HD1 ARG 630 -18.889 8.295 1.658 52 HE ARG 630 HE ARG 630 -16.376 7.766 2.720 53 HH11 ARG 630 HH11 ARG 630 -18.674 10.401 2.697 54 HH12 ARG 630 HH12 ARG 630 -18.217 10.983 4.264 55 HH21 ARG 630 HH21 ARG 630 -15.762 8.546 4.791 56 HH22 ARG 630 HH22 ARG 630 -16.571 9.928 5.452 57 H CYS 631 HN CYS 631 -15.793 3.686 -1.742 58 HA CYS 631 HA CYS 631 -13.112 4.362 -0.976 59 HB2 CYS 631 HB2 CYS 631 -12.595 3.102 -3.152 60 HB3 CYS 631 HB1 CYS 631 -13.368 2.201 -1.852 61 HG CYS 631 HG CYS 631 -14.308 1.675 -4.598 62 H GLN 632 HN GLN 632 -14.117 6.718 -1.281 63 HA GLN 632 HA GLN 632 -13.052 7.723 -3.824 64 HB2 GLN 632 HB2 GLN 632 -15.634 8.569 -2.495 65 HB3 GLN 632 HB1 GLN 632 -14.900 9.389 -3.866 66 HG2 GLN 632 HG2 GLN 632 -15.268 7.543 -5.291 67 HG3 GLN 632 HG1 GLN 632 -15.671 6.490 -3.936 68 HE21 GLN 632 HE21 GLN 632 -16.787 9.056 -6.007 69 HE22 GLN 632 HE22 GLN 632 -18.460 8.923 -5.592 70 H ASP 633 HN ASP 633 -14.324 8.779 -0.675 71 HA ASP 633 HA ASP 633 -12.892 11.159 -0.491 72 HB2 ASP 633 HB2 ASP 633 -14.039 9.340 1.621 73 HB3 ASP 633 HB1 ASP 633 -13.275 10.877 2.013 74 H TRP 634 HN TRP 634 -12.133 8.073 1.148 75 HA TRP 634 HA TRP 634 -9.602 8.984 2.026 76 HB2 TRP 634 HB2 TRP 634 -9.154 6.645 2.655 77 HB3 TRP 634 HB1 TRP 634 -10.727 7.185 3.221 78 HD1 TRP 634 HD1 TRP 634 -12.860 5.932 2.287 79 HE1 TRP 634 HE1 TRP 634 -13.172 3.769 0.933 80 HE3 TRP 634 HE3 TRP 634 -8.032 5.232 0.742 81 HZ2 TRP 634 HZ2 TRP 634 -11.586 2.003 -0.589 82 HZ3 TRP 634 HZ3 TRP 634 -7.515 3.273 -0.655 83 HH2 TRP 634 HH2 TRP 634 -9.258 1.695 -1.308 84 H LEU 635 HN LEU 635 -10.743 7.660 -0.905 85 HA LEU 635 HA LEU 635 -8.322 6.609 -1.925 86 HB2 LEU 635 HB2 LEU 635 -10.779 6.301 -2.715 87 HB3 LEU 635 HB1 LEU 635 -10.528 7.789 -3.599 88 HG LEU 635 HG LEU 635 -10.268 5.744 -4.979 89 HD11 LEU 635 HD11 LEU 635 -8.159 6.385 -6.055 90 HD12 LEU 635 HD12 LEU 635 -7.786 7.418 -4.674 91 HD13 LEU 635 HD13 LEU 635 -9.181 7.775 -5.692 92 HD21 LEU 635 HD21 LEU 635 -8.327 4.324 -4.704 93 HD22 LEU 635 HD22 LEU 635 -9.307 4.308 -3.237 94 HD23 LEU 635 HD23 LEU 635 -7.820 5.254 -3.295 95 H GLU 636 HN GLU 636 -9.983 9.720 -2.368 96 HA GLU 636 HA GLU 636 -7.857 10.925 -3.825 97 HB2 GLU 636 HB2 GLU 636 -10.234 11.674 -3.905 98 HB3 GLU 636 HB1 GLU 636 -10.071 12.248 -2.251 99 HG2 GLU 636 HG2 GLU 636 -9.879 14.091 -3.783 100 HG3 GLU 636 HG1 GLU 636 -8.335 13.815 -2.981 101 H ALA 637 HN ALA 637 -8.804 10.809 -0.444 102 HA ALA 637 HA ALA 637 -7.011 12.657 0.622 103 HB1 ALA 637 HB1 ALA 637 -7.339 11.555 2.727 104 HB2 ALA 637 HB2 ALA 637 -7.886 10.088 1.921 105 HB3 ALA 637 HB3 ALA 637 -8.870 11.551 1.850 106 H LEU 638 HN LEU 638 -6.602 9.210 -0.064 107 HA LEU 638 HA LEU 638 -3.976 8.953 0.899 108 HB2 LEU 638 HB2 LEU 638 -5.507 7.072 0.345 109 HB3 LEU 638 HB1 LEU 638 -5.298 7.441 -1.354 110 HG LEU 638 HG LEU 638 -2.904 6.905 -1.182 111 HD11 LEU 638 HD11 LEU 638 -2.403 7.441 1.072 112 HD12 LEU 638 HD12 LEU 638 -2.158 5.704 0.895 113 HD13 LEU 638 HD13 LEU 638 -3.616 6.314 1.677 114 HD21 LEU 638 HD21 LEU 638 -4.725 4.736 -0.150 115 HD22 LEU 638 HD22 LEU 638 -3.155 4.492 -0.914 116 HD23 LEU 638 HD23 LEU 638 -4.490 5.175 -1.841 117 H HIS 639 HN HIS 639 -5.272 10.073 -2.126 118 HA HIS 639 HA HIS 639 -2.944 10.006 -3.696 119 HB2 HIS 639 HB2 HIS 639 -5.130 10.246 -4.690 120 HB3 HIS 639 HB1 HIS 639 -5.414 11.744 -3.821 121 HD1 HIS 639 HD1 HIS 639 -5.637 13.393 -5.644 122 HD2 HIS 639 HD2 HIS 639 -2.299 10.953 -6.139 123 HE1 HIS 639 HE1 HIS 639 -4.389 14.335 -7.617 124 HE2 HIS 639 HE2 HIS 639 -2.291 12.949 -7.785 125 H TRP 640 HN TRP 640 -3.935 12.146 -1.165 126 HA TRP 640 HA TRP 640 -1.716 13.960 -1.836 127 HB2 TRP 640 HB2 TRP 640 -4.161 14.536 -0.150 128 HB3 TRP 640 HB1 TRP 640 -2.864 15.675 -0.490 129 HD1 TRP 640 HD1 TRP 640 -5.978 14.152 -2.000 130 HE1 TRP 640 HE1 TRP 640 -6.525 15.321 -4.218 131 HE3 TRP 640 HE3 TRP 640 -1.706 16.923 -2.532 132 HZ2 TRP 640 HZ2 TRP 640 -5.316 17.183 -5.962 133 HZ3 TRP 640 HZ3 TRP 640 -1.487 18.373 -4.509 134 HH2 TRP 640 HH2 TRP 640 -3.253 18.499 -6.185 135 H TYR 641 HN TYR 641 -2.065 11.355 -0.107 136 HA TYR 641 HA TYR 641 -1.293 12.301 2.516 137 HB2 TYR 641 HB2 TYR 641 -2.692 10.190 2.006 138 HB3 TYR 641 HB1 TYR 641 -1.155 9.429 1.601 139 HD1 TYR 641 HD1 TYR 641 0.390 8.775 3.325 140 HD2 TYR 641 HD2 TYR 641 -3.140 10.933 4.307 141 HE1 TYR 641 HE1 TYR 641 0.747 8.270 5.705 142 HE2 TYR 641 HE2 TYR 641 -2.789 10.437 6.688 143 HH TYR 641 HH TYR 641 0.102 9.279 7.919 144 H ASN 642 HN ASN 642 0.517 13.477 1.369 145 HA ASN 642 HA ASN 642 2.875 11.778 0.971 146 HB2 ASN 642 HB2 ASN 642 2.276 13.457 -0.785 147 HB3 ASN 642 HB1 ASN 642 2.528 14.733 0.398 148 HD21 ASN 642 HD21 ASN 642 4.095 12.204 -1.454 149 HD22 ASN 642 HD22 ASN 642 5.692 12.861 -1.347 150 H THR 643 HN THR 643 2.407 11.582 3.458 151 HA THR 643 HA THR 643 3.732 13.740 4.920 152 HB THR 643 HB THR 643 2.985 12.512 6.959 153 HG1 THR 643 HG1 THR 643 1.866 10.668 6.783 154 HG21 THR 643 HG21 THR 643 1.631 14.326 6.015 155 HG22 THR 643 HG22 THR 643 0.614 13.076 6.731 156 HG23 THR 643 HG23 THR 643 0.798 13.166 4.980 157 H ALA 644 HN ALA 644 4.050 10.332 4.165 158 HA ALA 644 HA ALA 644 5.783 8.894 4.175 159 HB1 ALA 644 HB1 ALA 644 7.132 10.769 3.313 160 HB2 ALA 644 HB2 ALA 644 8.062 9.661 4.322 161 HB3 ALA 644 HB3 ALA 644 7.534 11.214 4.971 162 H LEU 645 HN LEU 645 6.224 11.135 6.927 163 HA LEU 645 HA LEU 645 6.970 8.839 8.570 164 HB2 LEU 645 HB2 LEU 645 7.077 11.784 9.202 165 HB3 LEU 645 HB1 LEU 645 7.700 10.500 10.220 166 HG LEU 645 HG LEU 645 8.729 11.242 7.479 167 HD11 LEU 645 HD11 LEU 645 9.966 11.568 10.206 168 HD12 LEU 645 HD12 LEU 645 9.278 12.863 9.228 169 HD13 LEU 645 HD13 LEU 645 10.706 11.997 8.664 170 HD21 LEU 645 HD21 LEU 645 8.973 8.866 7.825 171 HD22 LEU 645 HD22 LEU 645 9.650 9.136 9.429 172 HD23 LEU 645 HD23 LEU 645 10.545 9.644 7.998 173 H GLU 646 HN GLU 646 4.726 11.611 8.736 174 HA GLU 646 HA GLU 646 3.434 10.756 11.085 175 HB2 GLU 646 HB2 GLU 646 3.237 13.052 10.384 176 HB3 GLU 646 HB1 GLU 646 2.482 12.574 8.871 177 HG2 GLU 646 HG2 GLU 646 0.534 11.770 10.058 178 HG3 GLU 646 HG1 GLU 646 1.293 12.148 11.602 179 H MET 647 HN MET 647 2.518 8.829 11.244 180 HA MET 647 HA MET 647 0.824 7.867 9.051 181 HB2 MET 647 HB2 MET 647 0.899 5.690 10.127 182 HB3 MET 647 HB1 MET 647 2.530 6.302 9.903 183 HG2 MET 647 HG2 MET 647 2.583 6.975 12.261 184 HG3 MET 647 HG1 MET 647 0.963 6.315 12.474 185 HE1 MET 647 HE1 MET 647 3.403 5.474 14.315 186 HE2 MET 647 HE2 MET 647 3.170 3.729 14.396 187 HE3 MET 647 HE3 MET 647 1.778 4.808 14.481 188 H THR 648 HN THR 648 -1.316 7.237 9.420 189 HA THR 648 HA THR 648 -2.624 8.817 11.465 190 HB THR 648 HB THR 648 -3.935 7.029 9.408 191 HG1 THR 648 HG1 THR 648 -2.429 8.819 8.635 192 HG21 THR 648 HG21 THR 648 -5.830 8.571 9.706 193 HG22 THR 648 HG22 THR 648 -4.922 9.433 10.947 194 HG23 THR 648 HG23 THR 648 -5.403 7.757 11.210 195 H ASP 649 HN ASP 649 -1.675 7.507 13.188 196 HA ASP 649 HA ASP 649 -3.035 4.922 13.553 197 HB2 ASP 649 HB2 ASP 649 -0.502 4.920 13.487 198 HB3 ASP 649 HB1 ASP 649 -0.539 5.849 14.983 199 H CYS 650 HN CYS 650 -4.752 6.627 14.099 200 HA CYS 650 HA CYS 650 -4.752 6.891 17.026 201 HB2 CYS 650 HB2 CYS 650 -6.272 8.898 16.656 202 HB3 CYS 650 HB1 CYS 650 -4.585 9.134 16.215 203 HG CYS 650 HG CYS 650 -7.196 8.610 14.063 204 H ASP 651 HN ASP 651 -5.663 4.690 16.759 205 HA ASP 651 HA ASP 651 -8.514 4.754 16.097 206 HB2 ASP 651 HB2 ASP 651 -7.493 4.112 14.023 207 HB3 ASP 651 HB1 ASP 651 -6.462 2.937 14.831 208 H GLU 652 HN GLU 652 -9.765 3.250 17.135 209 HA GLU 652 HA GLU 652 -8.416 1.327 18.910 210 HB2 GLU 652 HB2 GLU 652 -10.854 3.012 19.515 211 HB3 GLU 652 HB1 GLU 652 -10.280 1.696 20.527 212 HG2 GLU 652 HG2 GLU 652 -8.206 2.891 20.934 213 HG3 GLU 652 HG1 GLU 652 -8.747 4.203 19.888 214 H GLY 653 HN GLY 653 -9.230 0.681 16.347 215 HA2 GLY 653 HA2 GLY 653 -10.347 -1.252 15.541 216 HA3 GLY 653 HA1 GLY 653 -11.497 -1.110 16.867 217 H GLY 654 HN GLY 654 -10.722 -0.160 13.643 218 HA2 GLY 654 HA2 GLY 654 -13.151 1.514 13.566 219 HA3 GLY 654 HA1 GLY 654 -11.725 1.829 12.593 220 H GLU 655 HN GLU 655 -11.532 0.904 10.651 221 HA GLU 655 HA GLU 655 -13.740 -0.020 9.297 222 HB2 GLU 655 HB2 GLU 655 -10.848 -0.562 8.614 223 HB3 GLU 655 HB1 GLU 655 -12.203 -0.710 7.506 224 HG2 GLU 655 HG2 GLU 655 -11.330 1.336 6.937 225 HG3 GLU 655 HG1 GLU 655 -12.608 1.787 8.063 226 H TYR 656 HN TYR 656 -14.873 -1.783 9.634 227 HA TYR 656 HA TYR 656 -13.432 -4.328 9.947 228 HB2 TYR 656 HB2 TYR 656 -16.311 -3.683 10.644 229 HB3 TYR 656 HB1 TYR 656 -15.539 -5.252 10.846 230 HD1 TYR 656 HD1 TYR 656 -16.551 -2.429 12.555 231 HD2 TYR 656 HD2 TYR 656 -13.208 -5.042 12.246 232 HE1 TYR 656 HE1 TYR 656 -15.830 -1.766 14.810 233 HE2 TYR 656 HE2 TYR 656 -12.480 -4.386 14.502 234 HH TYR 656 HH TYR 656 -14.477 -2.590 16.628 235 H ASP 657 HN ASP 657 -13.009 -4.388 7.718 236 HA ASP 657 HA ASP 657 -15.329 -4.562 5.937 237 HB2 ASP 657 HB2 ASP 657 -13.690 -2.935 5.242 238 HB3 ASP 657 HB1 ASP 657 -12.392 -4.115 5.379 239 H GLY 658 HN GLY 658 -15.668 -6.321 4.605 240 HA2 GLY 658 HA2 GLY 658 -13.991 -8.685 5.153 241 HA3 GLY 658 HA1 GLY 658 -15.741 -8.779 5.035 242 H MET 659 HN MET 659 -12.863 -7.858 3.203 243 HA MET 659 HA MET 659 -14.049 -7.842 0.669 244 HB2 MET 659 HB2 MET 659 -11.867 -7.764 -0.230 245 HB3 MET 659 HB1 MET 659 -11.773 -6.921 1.308 246 HG2 MET 659 HG2 MET 659 -10.912 -9.762 0.812 247 HG3 MET 659 HG1 MET 659 -9.840 -8.369 0.911 248 HE1 MET 659 HE1 MET 659 -8.386 -9.677 2.739 249 HE2 MET 659 HE2 MET 659 -9.488 -11.048 2.618 250 HE3 MET 659 HE3 MET 659 -9.076 -10.386 4.200 251 H GLN 660 HN GLN 660 -14.184 -9.379 -0.951 252 HA GLN 660 HA GLN 660 -14.162 -12.131 0.043 253 HB2 GLN 660 HB2 GLN 660 -15.518 -10.882 -2.349 254 HB3 GLN 660 HB1 GLN 660 -15.550 -12.604 -1.989 255 HG2 GLN 660 HG2 GLN 660 -16.656 -12.151 0.133 256 HG3 GLN 660 HG1 GLN 660 -16.615 -10.423 -0.210 257 HE21 GLN 660 HE21 GLN 660 -18.853 -10.265 -0.099 258 HE22 GLN 660 HE22 GLN 660 -19.882 -10.875 -1.346 259 H ASP 661 HN ASP 661 -11.713 -11.315 -0.324 260 HA ASP 661 HA ASP 661 -10.775 -12.856 -2.605 261 HB2 ASP 661 HB2 ASP 661 -10.850 -10.577 -3.498 262 HB3 ASP 661 HB1 ASP 661 -9.958 -9.977 -2.106 263 H GLU 662 HN GLU 662 -9.105 -14.118 -1.974 264 HA GLU 662 HA GLU 662 -7.951 -13.942 0.606 265 HB2 GLU 662 HB2 GLU 662 -6.893 -15.325 -1.875 266 HB3 GLU 662 HB1 GLU 662 -6.301 -15.586 -0.241 267 HG2 GLU 662 HG2 GLU 662 -8.540 -16.415 0.396 268 HG3 GLU 662 HG1 GLU 662 -9.049 -16.232 -1.282 269 HA PRO 663 HA PRO 663 -6.010 -10.215 -0.275 270 HB2 PRO 663 HB2 PRO 663 -4.165 -10.078 1.762 271 HB3 PRO 663 HB1 PRO 663 -5.890 -9.736 1.949 272 HG2 PRO 663 HG2 PRO 663 -4.377 -12.238 2.598 273 HG3 PRO 663 HG1 PRO 663 -5.682 -11.445 3.507 274 HD2 PRO 663 HD2 PRO 663 -6.118 -13.621 1.974 275 HD3 PRO 663 HD1 PRO 663 -7.334 -12.331 2.154 276 H ARG 664 HN ARG 664 -4.815 -10.104 -2.041 277 HA ARG 664 HA ARG 664 -2.271 -11.417 -2.294 278 HB2 ARG 664 HB2 ARG 664 -2.157 -10.297 -4.472 279 HB3 ARG 664 HB1 ARG 664 -3.697 -11.112 -4.251 280 HG2 ARG 664 HG2 ARG 664 -4.551 -8.803 -3.484 281 HG3 ARG 664 HG1 ARG 664 -3.097 -8.184 -4.272 282 HD2 ARG 664 HD2 ARG 664 -4.860 -8.086 -5.863 283 HD3 ARG 664 HD1 ARG 664 -3.799 -9.412 -6.332 284 HE ARG 664 HE ARG 664 -6.203 -10.011 -4.755 285 HH11 ARG 664 HH11 ARG 664 -4.449 -10.211 -7.787 286 HH12 ARG 664 HH12 ARG 664 -5.531 -11.378 -8.477 287 HH21 ARG 664 HH21 ARG 664 -7.638 -11.533 -5.666 288 HH22 ARG 664 HH22 ARG 664 -7.339 -12.131 -7.274 289 H TYR 665 HN TYR 665 -3.448 -8.308 -1.326 290 HA TYR 665 HA TYR 665 -1.123 -6.800 -1.821 291 HB2 TYR 665 HB2 TYR 665 -2.216 -5.194 -0.126 292 HB3 TYR 665 HB1 TYR 665 -3.070 -5.532 -1.628 293 HD1 TYR 665 HD1 TYR 665 -4.974 -7.211 -1.575 294 HD2 TYR 665 HD2 TYR 665 -3.243 -5.581 1.948 295 HE1 TYR 665 HE1 TYR 665 -6.985 -7.832 -0.309 296 HE2 TYR 665 HE2 TYR 665 -5.251 -6.202 3.228 297 HH TYR 665 HH TYR 665 -7.707 -8.238 1.906 298 H MET 666 HN MET 666 -2.053 -8.846 0.825 299 HA MET 666 HA MET 666 -0.105 -7.830 2.662 300 HB2 MET 666 HB2 MET 666 -1.668 -10.419 2.605 301 HB3 MET 666 HB1 MET 666 -0.571 -9.968 3.911 302 HG2 MET 666 HG2 MET 666 -1.927 -8.005 4.389 303 HG3 MET 666 HG1 MET 666 -3.009 -8.415 3.061 304 HE1 MET 666 HE1 MET 666 -5.164 -8.362 4.575 305 HE2 MET 666 HE2 MET 666 -4.124 -7.806 5.887 306 HE3 MET 666 HE3 MET 666 -5.252 -9.134 6.157 307 H MET 667 HN MET 667 -0.233 -10.355 0.247 308 HA MET 667 HA MET 667 2.273 -11.533 0.918 309 HB2 MET 667 HB2 MET 667 0.311 -12.544 -0.430 310 HB3 MET 667 HB1 MET 667 0.951 -11.639 -1.790 311 HG2 MET 667 HG2 MET 667 2.538 -13.661 -0.226 312 HG3 MET 667 HG1 MET 667 1.633 -14.034 -1.688 313 HE1 MET 667 HE1 MET 667 2.373 -13.294 -4.136 314 HE2 MET 667 HE2 MET 667 3.517 -11.979 -4.406 315 HE3 MET 667 HE3 MET 667 2.003 -11.672 -3.556 316 H LEU 668 HN LEU 668 1.160 -9.231 -1.547 317 HA LEU 668 HA LEU 668 3.640 -8.668 -2.720 318 HB2 LEU 668 HB2 LEU 668 1.057 -7.194 -2.502 319 HB3 LEU 668 HB1 LEU 668 2.469 -6.297 -3.021 320 HG LEU 668 HG LEU 668 2.757 -7.836 -4.917 321 HD11 LEU 668 HD11 LEU 668 1.013 -9.439 -5.487 322 HD12 LEU 668 HD12 LEU 668 0.192 -9.092 -3.964 323 HD13 LEU 668 HD13 LEU 668 1.786 -9.846 -3.955 324 HD21 LEU 668 HD21 LEU 668 0.795 -7.117 -6.192 325 HD22 LEU 668 HD22 LEU 668 1.466 -5.809 -5.219 326 HD23 LEU 668 HD23 LEU 668 0.002 -6.639 -4.691 327 H ALA 669 HN ALA 669 2.119 -7.363 0.213 328 HA ALA 669 HA ALA 669 4.086 -5.293 0.534 329 HB1 ALA 669 HB1 ALA 669 3.046 -4.931 2.714 330 HB2 ALA 669 HB2 ALA 669 2.095 -6.402 2.510 331 HB3 ALA 669 HB3 ALA 669 1.833 -5.026 1.438 332 H ARG 670 HN ARG 670 3.580 -8.567 1.721 333 HA ARG 670 HA ARG 670 5.670 -8.597 3.616 334 HB2 ARG 670 HB2 ARG 670 3.857 -10.316 3.420 335 HB3 ARG 670 HB1 ARG 670 4.656 -10.919 1.976 336 HG2 ARG 670 HG2 ARG 670 6.640 -11.456 3.291 337 HG3 ARG 670 HG1 ARG 670 5.839 -10.851 4.744 338 HD2 ARG 670 HD2 ARG 670 4.961 -13.175 3.040 339 HD3 ARG 670 HD1 ARG 670 5.683 -13.267 4.645 340 HE ARG 670 HE ARG 670 3.459 -11.689 4.949 341 HH11 ARG 670 HH11 ARG 670 4.109 -14.943 3.847 342 HH12 ARG 670 HH12 ARG 670 2.550 -15.547 4.310 343 HH21 ARG 670 HH21 ARG 670 1.408 -12.477 5.563 344 HH22 ARG 670 HH22 ARG 670 1.013 -14.143 5.286 345 H GLU 671 HN GLU 671 5.535 -9.358 0.153 346 HA GLU 671 HA GLU 671 8.237 -10.173 -0.057 347 HB2 GLU 671 HB2 GLU 671 6.553 -10.702 -1.776 348 HB3 GLU 671 HB1 GLU 671 6.407 -8.992 -2.159 349 HG2 GLU 671 HG2 GLU 671 8.602 -8.910 -3.037 350 HG3 GLU 671 HG1 GLU 671 8.983 -10.514 -2.413 351 H ALA 672 HN ALA 672 6.569 -7.080 -0.556 352 HA ALA 672 HA ALA 672 8.731 -5.472 -1.191 353 HB1 ALA 672 HB1 ALA 672 7.433 -3.616 -0.365 354 HB2 ALA 672 HB2 ALA 672 6.413 -4.702 0.576 355 HB3 ALA 672 HB3 ALA 672 6.365 -4.755 -1.184 356 H GLU 673 HN GLU 673 7.568 -6.447 2.012 357 HA GLU 673 HA GLU 673 9.441 -4.928 3.487 358 HB2 GLU 673 HB2 GLU 673 7.296 -5.892 4.359 359 HB3 GLU 673 HB1 GLU 673 8.060 -7.474 4.351 360 HG2 GLU 673 HG2 GLU 673 9.695 -6.725 5.967 361 HG3 GLU 673 HG1 GLU 673 9.017 -5.098 5.931 362 H MET 674 HN MET 674 9.471 -8.247 2.237 363 HA MET 674 HA MET 674 11.975 -8.923 3.446 364 HB2 MET 674 HB2 MET 674 10.481 -10.174 1.136 365 HB3 MET 674 HB1 MET 674 11.983 -10.816 1.781 366 HG2 MET 674 HG2 MET 674 10.829 -11.009 4.000 367 HG3 MET 674 HG1 MET 674 9.328 -10.602 3.172 368 HE1 MET 674 HE1 MET 674 9.768 -12.069 0.347 369 HE2 MET 674 HE2 MET 674 8.248 -12.115 1.242 370 HE3 MET 674 HE3 MET 674 8.973 -13.612 0.659 371 H LEU 675 HN LEU 675 11.037 -7.233 0.574 372 HA LEU 675 HA LEU 675 13.654 -7.383 -0.639 373 HB2 LEU 675 HB2 LEU 675 11.035 -6.164 -1.290 374 HB3 LEU 675 HB1 LEU 675 12.443 -5.330 -1.916 375 HG LEU 675 HG LEU 675 11.377 -6.936 -3.510 376 HD11 LEU 675 HD11 LEU 675 13.503 -7.982 -4.220 377 HD12 LEU 675 HD12 LEU 675 14.236 -7.432 -2.712 378 HD13 LEU 675 HD13 LEU 675 13.634 -6.258 -3.883 379 HD21 LEU 675 HD21 LEU 675 11.726 -9.310 -3.227 380 HD22 LEU 675 HD22 LEU 675 10.788 -8.674 -1.876 381 HD23 LEU 675 HD23 LEU 675 12.499 -9.038 -1.667 382 H PHE 676 HN PHE 676 11.943 -5.285 1.548 383 HA PHE 676 HA PHE 676 13.716 -3.059 1.233 384 HB2 PHE 676 HB2 PHE 676 11.342 -2.907 2.078 385 HB3 PHE 676 HB1 PHE 676 11.898 -3.636 3.586 386 HD1 PHE 676 HD1 PHE 676 12.243 -2.180 5.303 387 HD2 PHE 676 HD2 PHE 676 12.977 -0.849 1.327 388 HE1 PHE 676 HE1 PHE 676 12.865 0.038 6.164 389 HE2 PHE 676 HE2 PHE 676 13.599 1.371 2.183 390 HZ PHE 676 HZ PHE 676 13.510 1.840 4.566 391 H THR 677 HN THR 677 13.309 -5.485 3.835 392 HA THR 677 HA THR 677 15.741 -4.521 5.100 393 HB THR 677 HB THR 677 15.220 -6.181 6.861 394 HG1 THR 677 HG1 THR 677 14.173 -7.785 5.667 395 HG21 THR 677 HG21 THR 677 12.845 -4.487 6.076 396 HG22 THR 677 HG22 THR 677 14.253 -3.922 6.975 397 HG23 THR 677 HG23 THR 677 13.180 -5.127 7.685 398 H GLY 678 HN GLY 678 14.788 -6.970 2.925 399 HA2 GLY 678 HA2 GLY 678 16.239 -8.461 1.817 400 HA3 GLY 678 HA1 GLY 678 17.412 -8.245 3.116 401 H GLY 679 HN GLY 679 16.875 -10.786 2.294 402 HA2 GLY 679 HA2 GLY 679 15.912 -11.988 4.695 403 HA3 GLY 679 HA1 GLY 679 14.747 -12.142 3.388 404 H TYR 680 HN TYR 680 15.242 -14.471 3.890 405 HA TYR 680 HA TYR 680 17.812 -15.461 3.024 406 HB2 TYR 680 HB2 TYR 680 15.300 -17.008 3.721 407 HB3 TYR 680 HB1 TYR 680 16.923 -17.677 3.565 408 HD1 TYR 680 HD1 TYR 680 18.641 -17.144 5.254 409 HD2 TYR 680 HD2 TYR 680 14.606 -15.879 5.735 410 HE1 TYR 680 HE1 TYR 680 19.058 -16.741 7.641 411 HE2 TYR 680 HE2 TYR 680 15.016 -15.476 8.125 412 HH TYR 680 HH TYR 680 18.155 -15.432 9.474 413 H GLY 681 HN GLY 681 17.611 -14.459 0.878 414 HA2 GLY 681 HA2 GLY 681 17.610 -15.690 -1.320 415 HA3 GLY 681 HA1 GLY 681 15.929 -16.070 -0.949 416 H LEU 682 HN LEU 682 15.853 -13.276 0.322 417 HA LEU 682 HA LEU 682 15.292 -11.847 -2.171 418 HB2 LEU 682 HB2 LEU 682 14.322 -11.365 0.648 419 HB3 LEU 682 HB1 LEU 682 14.007 -10.277 -0.684 420 HG LEU 682 HG LEU 682 12.035 -11.524 -0.398 421 HD11 LEU 682 HD11 LEU 682 11.774 -12.739 -2.464 422 HD12 LEU 682 HD12 LEU 682 13.522 -12.873 -2.641 423 HD13 LEU 682 HD13 LEU 682 12.744 -11.291 -2.734 424 HD21 LEU 682 HD21 LEU 682 12.968 -13.300 1.010 425 HD22 LEU 682 HD22 LEU 682 13.674 -14.051 -0.422 426 HD23 LEU 682 HD23 LEU 682 11.922 -13.936 -0.259 427 H GLU 683 HN GLU 683 16.521 -10.186 -2.753 428 HA GLU 683 HA GLU 683 18.645 -9.320 -0.962 429 HB2 GLU 683 HB2 GLU 683 19.152 -9.943 -3.310 430 HB3 GLU 683 HB1 GLU 683 18.134 -8.619 -3.857 431 HG2 GLU 683 HG2 GLU 683 19.622 -7.003 -2.897 432 HG3 GLU 683 HG1 GLU 683 20.586 -8.276 -2.150 433 H LYS 684 HN LYS 684 18.960 -7.196 -0.350 434 HA LYS 684 HA LYS 684 16.567 -5.721 0.094 435 HB2 LYS 684 HB2 LYS 684 18.016 -4.132 1.298 436 HB3 LYS 684 HB1 LYS 684 18.302 -5.794 1.790 437 HG2 LYS 684 HG2 LYS 684 20.278 -5.817 0.240 438 HG3 LYS 684 HG1 LYS 684 20.035 -4.084 0.021 439 HD2 LYS 684 HD2 LYS 684 20.589 -5.500 2.628 440 HD3 LYS 684 HD1 LYS 684 21.734 -4.518 1.714 441 HE2 LYS 684 HE2 LYS 684 20.209 -2.572 2.017 442 HE3 LYS 684 HE1 LYS 684 19.192 -3.584 3.043 443 HZ1 LYS 684 HZ1 LYS 684 20.638 -2.291 4.414 444 HZ2 LYS 684 HZ2 LYS 684 22.006 -2.801 3.554 445 HZ3 LYS 684 HZ3 LYS 684 21.145 -3.907 4.497 446 H ASP 685 HN ASP 685 15.626 -4.730 -1.537 447 HA ASP 685 HA ASP 685 17.199 -2.799 -3.119 448 HB2 ASP 685 HB2 ASP 685 15.146 -4.777 -4.089 449 HB3 ASP 685 HB1 ASP 685 15.403 -3.262 -4.951 450 HA PRO 686 HA PRO 686 14.002 -0.396 -0.790 451 HB2 PRO 686 HB2 PRO 686 15.692 1.723 -2.052 452 HB3 PRO 686 HB1 PRO 686 15.056 1.627 -0.403 453 HG2 PRO 686 HG2 PRO 686 17.610 1.091 -0.873 454 HG3 PRO 686 HG1 PRO 686 16.682 0.098 0.270 455 HD2 PRO 686 HD2 PRO 686 17.527 -0.531 -2.535 456 HD3 PRO 686 HD1 PRO 686 17.427 -1.603 -1.119 457 H GLN 687 HN GLN 687 15.112 -0.035 -4.125 458 HA GLN 687 HA GLN 687 13.026 1.669 -5.018 459 HB2 GLN 687 HB2 GLN 687 15.265 1.099 -6.157 460 HB3 GLN 687 HB1 GLN 687 14.476 -0.359 -6.722 461 HG2 GLN 687 HG2 GLN 687 13.500 2.422 -7.322 462 HG3 GLN 687 HG1 GLN 687 14.582 1.509 -8.365 463 HE21 GLN 687 HE21 GLN 687 11.346 2.024 -7.376 464 HE22 GLN 687 HE22 GLN 687 10.604 0.872 -8.431 465 H ARG 688 HN ARG 688 13.497 -1.862 -5.308 466 HA ARG 688 HA ARG 688 10.969 -2.297 -6.512 467 HB2 ARG 688 HB2 ARG 688 13.002 -3.846 -6.618 468 HB3 ARG 688 HB1 ARG 688 12.544 -4.381 -5.005 469 HG2 ARG 688 HG2 ARG 688 10.286 -4.951 -5.946 470 HG3 ARG 688 HG1 ARG 688 10.957 -4.641 -7.546 471 HD2 ARG 688 HD2 ARG 688 11.967 -6.678 -5.571 472 HD3 ARG 688 HD1 ARG 688 10.971 -7.021 -6.981 473 HE ARG 688 HE ARG 688 13.254 -5.688 -7.865 474 HH11 ARG 688 HH11 ARG 688 12.350 -8.720 -6.379 475 HH12 ARG 688 HH12 ARG 688 13.699 -9.597 -7.029 476 HH21 ARG 688 HH21 ARG 688 15.036 -6.848 -8.742 477 HH22 ARG 688 HH22 ARG 688 15.224 -8.533 -8.375 478 H SER 689 HN SER 689 12.145 -2.206 -3.225 479 HA SER 689 HA SER 689 10.010 -3.337 -1.880 480 HB2 SER 689 HB2 SER 689 12.131 -2.550 -0.821 481 HB3 SER 689 HB1 SER 689 11.555 -0.891 -1.002 482 HG SER 689 HG SER 689 10.388 -2.971 0.536 483 H GLY 690 HN GLY 690 10.404 0.121 -2.906 484 HA2 GLY 690 HA2 GLY 690 7.836 0.837 -1.936 485 HA3 GLY 690 HA1 GLY 690 8.865 1.779 -3.018 486 H ASP 691 HN ASP 691 9.103 -0.345 -4.993 487 HA ASP 691 HA ASP 691 6.846 0.195 -6.604 488 HB2 ASP 691 HB2 ASP 691 9.043 -0.607 -7.487 489 HB3 ASP 691 HB1 ASP 691 8.707 -2.195 -6.798 490 H LEU 692 HN LEU 692 7.709 -2.640 -4.665 491 HA LEU 692 HA LEU 692 5.326 -4.066 -5.200 492 HB2 LEU 692 HB2 LEU 692 7.471 -4.297 -3.119 493 HB3 LEU 692 HB1 LEU 692 6.054 -5.331 -3.087 494 HG LEU 692 HG LEU 692 7.747 -5.158 -5.554 495 HD11 LEU 692 HD11 LEU 692 9.285 -5.699 -3.746 496 HD12 LEU 692 HD12 LEU 692 8.980 -7.123 -4.740 497 HD13 LEU 692 HD13 LEU 692 8.191 -6.956 -3.172 498 HD21 LEU 692 HD21 LEU 692 5.946 -7.258 -4.357 499 HD22 LEU 692 HD22 LEU 692 6.829 -7.410 -5.875 500 HD23 LEU 692 HD23 LEU 692 5.558 -6.200 -5.714 501 H TYR 693 HN TYR 693 6.264 -1.804 -2.642 502 HA TYR 693 HA TYR 693 3.936 -2.256 -1.081 503 HB2 TYR 693 HB2 TYR 693 6.084 -0.199 -1.086 504 HB3 TYR 693 HB1 TYR 693 4.556 0.232 -0.307 505 HD1 TYR 693 HD1 TYR 693 3.623 -1.942 1.125 506 HD2 TYR 693 HD2 TYR 693 7.692 -0.918 0.426 507 HE1 TYR 693 HE1 TYR 693 4.272 -3.158 3.159 508 HE2 TYR 693 HE2 TYR 693 8.354 -2.139 2.453 509 HH TYR 693 HH TYR 693 6.249 -4.241 4.113 510 H THR 694 HN THR 694 4.632 -0.062 -3.765 511 HA THR 694 HA THR 694 2.146 1.332 -3.501 512 HB THR 694 HB THR 694 2.615 1.972 -5.972 513 HG1 THR 694 HG1 THR 694 5.224 1.079 -5.283 514 HG21 THR 694 HG21 THR 694 2.976 3.471 -4.071 515 HG22 THR 694 HG22 THR 694 4.243 3.657 -5.282 516 HG23 THR 694 HG23 THR 694 4.565 2.752 -3.803 517 H GLN 695 HN GLN 695 3.268 -1.457 -5.374 518 HA GLN 695 HA GLN 695 0.864 -1.884 -6.805 519 HB2 GLN 695 HB2 GLN 695 2.955 -3.873 -5.881 520 HB3 GLN 695 HB1 GLN 695 1.694 -4.212 -7.058 521 HG2 GLN 695 HG2 GLN 695 3.837 -2.123 -7.392 522 HG3 GLN 695 HG1 GLN 695 3.900 -3.750 -8.068 523 HE21 GLN 695 HE21 GLN 695 1.102 -3.867 -8.740 524 HE22 GLN 695 HE22 GLN 695 0.862 -2.807 -10.087 525 H ALA 696 HN ALA 696 2.054 -3.018 -3.670 526 HA ALA 696 HA ALA 696 -0.144 -4.596 -2.972 527 HB1 ALA 696 HB1 ALA 696 2.012 -4.656 -1.791 528 HB2 ALA 696 HB2 ALA 696 0.655 -4.427 -0.691 529 HB3 ALA 696 HB3 ALA 696 1.677 -3.057 -1.126 530 H ALA 697 HN ALA 697 0.476 -1.095 -2.547 531 HA ALA 697 HA ALA 697 -1.820 -0.610 -0.980 532 HB1 ALA 697 HB1 ALA 697 0.094 0.948 -1.153 533 HB2 ALA 697 HB2 ALA 697 -1.454 1.725 -1.487 534 HB3 ALA 697 HB3 ALA 697 -0.377 1.299 -2.816 535 H GLU 698 HN GLU 698 -1.204 -0.680 -4.451 536 HA GLU 698 HA GLU 698 -3.724 0.258 -5.283 537 HB2 GLU 698 HB2 GLU 698 -1.787 -1.652 -6.582 538 HB3 GLU 698 HB1 GLU 698 -3.270 -1.124 -7.362 539 HG2 GLU 698 HG2 GLU 698 -2.466 1.218 -7.174 540 HG3 GLU 698 HG1 GLU 698 -0.937 0.593 -6.547 541 H ALA 699 HN ALA 699 -2.536 -3.067 -4.760 542 HA ALA 699 HA ALA 699 -4.999 -4.323 -5.303 543 HB1 ALA 699 HB1 ALA 699 -4.000 -6.275 -4.182 544 HB2 ALA 699 HB2 ALA 699 -2.671 -5.257 -3.629 545 HB3 ALA 699 HB3 ALA 699 -2.905 -5.541 -5.353 546 H ALA 700 HN ALA 700 -3.715 -2.786 -2.474 547 HA ALA 700 HA ALA 700 -5.612 -3.870 -0.626 548 HB1 ALA 700 HB1 ALA 700 -3.446 -2.948 0.089 549 HB2 ALA 700 HB2 ALA 700 -4.804 -2.199 0.924 550 HB3 ALA 700 HB3 ALA 700 -3.992 -1.340 -0.384 551 H MET 701 HN MET 701 -5.339 -0.724 -2.298 552 HA MET 701 HA MET 701 -7.746 0.292 -1.215 553 HB2 MET 701 HB2 MET 701 -7.517 2.121 -2.752 554 HB3 MET 701 HB1 MET 701 -5.916 1.702 -2.163 555 HG2 MET 701 HG2 MET 701 -5.473 0.497 -4.240 556 HG3 MET 701 HG1 MET 701 -7.075 0.933 -4.832 557 HE1 MET 701 HE1 MET 701 -4.429 1.576 -6.538 558 HE2 MET 701 HE2 MET 701 -4.871 3.192 -7.087 559 HE3 MET 701 HE3 MET 701 -6.092 1.922 -7.008 560 H GLU 702 HN GLU 702 -7.026 -1.581 -4.104 561 HA GLU 702 HA GLU 702 -9.639 -1.274 -5.237 562 HB2 GLU 702 HB2 GLU 702 -7.407 -3.231 -5.760 563 HB3 GLU 702 HB1 GLU 702 -8.930 -3.267 -6.640 564 HG2 GLU 702 HG2 GLU 702 -6.985 -0.968 -6.560 565 HG3 GLU 702 HG1 GLU 702 -7.203 -2.102 -7.893 566 H ALA 703 HN ALA 703 -8.194 -3.381 -2.890 567 HA ALA 703 HA ALA 703 -10.467 -5.190 -2.870 568 HB1 ALA 703 HB1 ALA 703 -8.061 -5.092 -1.053 569 HB2 ALA 703 HB2 ALA 703 -8.226 -6.092 -2.497 570 HB3 ALA 703 HB3 ALA 703 -9.272 -6.373 -1.105 571 H MET 704 HN MET 704 -10.444 -2.212 -2.077 572 HA MET 704 HA MET 704 -11.686 -0.883 -0.727 573 HB2 MET 704 HB2 MET 704 -12.888 -3.511 0.158 574 HB3 MET 704 HB1 MET 704 -13.497 -1.933 0.635 575 HG2 MET 704 HG2 MET 704 -13.969 -1.404 -1.702 576 HG3 MET 704 HG1 MET 704 -13.349 -2.981 -2.183 577 HE1 MET 704 HE1 MET 704 -17.073 -2.444 0.476 578 HE2 MET 704 HE2 MET 704 -15.932 -1.161 0.069 579 HE3 MET 704 HE3 MET 704 -15.438 -2.475 1.134 580 H LYS 705 HN LYS 705 -9.105 -2.000 0.162 581 HA LYS 705 HA LYS 705 -9.500 -1.886 3.073 582 HB2 LYS 705 HB2 LYS 705 -7.142 -2.888 1.468 583 HB3 LYS 705 HB1 LYS 705 -7.206 -2.813 3.220 584 HG2 LYS 705 HG2 LYS 705 -8.996 -4.473 1.468 585 HG3 LYS 705 HG1 LYS 705 -7.631 -5.061 2.421 586 HD2 LYS 705 HD2 LYS 705 -8.811 -4.154 4.456 587 HD3 LYS 705 HD1 LYS 705 -10.220 -3.890 3.424 588 HE2 LYS 705 HE2 LYS 705 -10.097 -6.323 2.818 589 HE3 LYS 705 HE1 LYS 705 -8.872 -6.502 4.073 590 HZ1 LYS 705 HZ1 LYS 705 -10.926 -7.093 5.024 591 HZ2 LYS 705 HZ2 LYS 705 -11.708 -5.726 4.402 592 HZ3 LYS 705 HZ3 LYS 705 -10.561 -5.558 5.640 593 H GLY 706 HN GLY 706 -9.832 0.444 2.765 594 HA2 GLY 706 HA2 GLY 706 -8.012 2.253 1.758 595 HA3 GLY 706 HA1 GLY 706 -9.107 2.595 3.086 596 H ARG 707 HN ARG 707 -8.154 1.106 5.138 597 HA ARG 707 HA ARG 707 -6.014 2.636 6.082 598 HB2 ARG 707 HB2 ARG 707 -7.623 1.436 7.524 599 HB3 ARG 707 HB1 ARG 707 -6.887 -0.088 7.049 600 HG2 ARG 707 HG2 ARG 707 -4.798 0.559 8.079 601 HG3 ARG 707 HG1 ARG 707 -5.464 2.140 8.487 602 HD2 ARG 707 HD2 ARG 707 -6.432 -0.525 9.504 603 HD3 ARG 707 HD1 ARG 707 -5.506 0.665 10.416 604 HE ARG 707 HE ARG 707 -8.085 1.510 9.320 605 HH11 ARG 707 HH11 ARG 707 -6.191 0.498 12.087 606 HH12 ARG 707 HH12 ARG 707 -7.353 1.062 13.249 607 HH21 ARG 707 HH21 ARG 707 -9.604 2.273 10.832 608 HH22 ARG 707 HH22 ARG 707 -9.284 2.102 12.539 609 H LEU 708 HN LEU 708 -6.044 -0.647 4.751 610 HA LEU 708 HA LEU 708 -3.320 -1.228 5.141 611 HB2 LEU 708 HB2 LEU 708 -5.360 -2.251 3.182 612 HB3 LEU 708 HB1 LEU 708 -3.707 -2.815 3.151 613 HG LEU 708 HG LEU 708 -5.146 -4.395 4.317 614 HD11 LEU 708 HD11 LEU 708 -3.296 -2.993 6.228 615 HD12 LEU 708 HD12 LEU 708 -2.808 -4.156 4.997 616 HD13 LEU 708 HD13 LEU 708 -3.849 -4.665 6.326 617 HD21 LEU 708 HD21 LEU 708 -6.199 -3.845 6.443 618 HD22 LEU 708 HD22 LEU 708 -6.847 -2.845 5.145 619 HD23 LEU 708 HD23 LEU 708 -5.679 -2.168 6.279 620 H ALA 709 HN ALA 709 -5.066 0.069 2.350 621 HA ALA 709 HA ALA 709 -2.880 0.442 0.652 622 HB1 ALA 709 HB1 ALA 709 -5.206 0.573 -0.097 623 HB2 ALA 709 HB2 ALA 709 -4.290 2.007 -0.562 624 HB3 ALA 709 HB3 ALA 709 -5.406 2.078 0.802 625 H ASN 710 HN ASN 710 -4.263 2.520 3.147 626 HA ASN 710 HA ASN 710 -2.706 4.807 2.677 627 HB2 ASN 710 HB2 ASN 710 -4.655 4.811 4.178 628 HB3 ASN 710 HB1 ASN 710 -3.808 3.750 5.295 629 HD21 ASN 710 HD21 ASN 710 -2.354 6.442 3.567 630 HD22 ASN 710 HD22 ASN 710 -2.053 7.406 4.968 631 H GLN 711 HN GLN 711 -2.231 2.151 4.970 632 HA GLN 711 HA GLN 711 0.256 2.871 5.964 633 HB2 GLN 711 HB2 GLN 711 -0.896 0.120 5.500 634 HB3 GLN 711 HB1 GLN 711 0.576 0.419 6.404 635 HG2 GLN 711 HG2 GLN 711 -0.667 1.704 8.049 636 HG3 GLN 711 HG1 GLN 711 -2.153 1.466 7.127 637 HE21 GLN 711 HE21 GLN 711 -1.377 -1.305 6.426 638 HE22 GLN 711 HE22 GLN 711 -1.650 -2.241 7.854 639 H TYR 712 HN TYR 712 -0.394 0.568 3.328 640 HA TYR 712 HA TYR 712 2.337 0.145 2.787 641 HB2 TYR 712 HB2 TYR 712 -0.045 -0.393 1.009 642 HB3 TYR 712 HB1 TYR 712 1.587 -1.020 0.743 643 HD1 TYR 712 HD1 TYR 712 1.917 -1.330 3.928 644 HD2 TYR 712 HD2 TYR 712 -0.869 -2.726 1.039 645 HE1 TYR 712 HE1 TYR 712 1.400 -3.245 5.369 646 HE2 TYR 712 HE2 TYR 712 -1.397 -4.650 2.478 647 HH TYR 712 HH TYR 712 -0.137 -5.956 4.358 648 H TYR 713 HN TYR 713 0.087 2.526 1.490 649 HA TYR 713 HA TYR 713 1.799 3.352 -0.655 650 HB2 TYR 713 HB2 TYR 713 -0.716 3.851 -0.372 651 HB3 TYR 713 HB1 TYR 713 -0.215 5.113 0.745 652 HD1 TYR 713 HD1 TYR 713 0.259 7.243 -0.063 653 HD2 TYR 713 HD2 TYR 713 0.332 3.945 -2.747 654 HE1 TYR 713 HE1 TYR 713 0.547 8.793 -1.951 655 HE2 TYR 713 HE2 TYR 713 0.625 5.483 -4.642 656 HH TYR 713 HH TYR 713 0.157 7.837 -5.183 657 H GLN 714 HN GLN 714 1.179 4.505 2.635 658 HA GLN 714 HA GLN 714 3.150 6.540 2.637 659 HB2 GLN 714 HB2 GLN 714 1.509 6.706 4.318 660 HB3 GLN 714 HB1 GLN 714 1.712 5.028 4.804 661 HG2 GLN 714 HG2 GLN 714 3.839 5.510 5.792 662 HG3 GLN 714 HG1 GLN 714 3.791 7.164 5.184 663 HE21 GLN 714 HE21 GLN 714 4.042 7.954 7.270 664 HE22 GLN 714 HE22 GLN 714 2.736 7.968 8.401 665 H LYS 715 HN LYS 715 3.313 3.123 2.880 666 HA LYS 715 HA LYS 715 5.834 3.116 4.307 667 HB2 LYS 715 HB2 LYS 715 4.128 1.279 4.595 668 HB3 LYS 715 HB1 LYS 715 4.447 0.806 2.927 669 HG2 LYS 715 HG2 LYS 715 5.665 -0.639 4.404 670 HG3 LYS 715 HG1 LYS 715 6.802 0.385 3.521 671 HD2 LYS 715 HD2 LYS 715 7.054 1.828 5.450 672 HD3 LYS 715 HD1 LYS 715 5.828 0.910 6.330 673 HE2 LYS 715 HE2 LYS 715 7.268 -1.071 6.253 674 HE3 LYS 715 HE1 LYS 715 8.486 -0.147 5.370 675 HZ1 LYS 715 HZ1 LYS 715 8.716 1.322 7.265 676 HZ2 LYS 715 HZ2 LYS 715 8.982 -0.286 7.736 677 HZ3 LYS 715 HZ3 LYS 715 7.516 0.467 8.107 678 H ALA 716 HN ALA 716 4.570 2.776 1.048 679 HA ALA 716 HA ALA 716 7.010 2.286 -0.271 680 HB1 ALA 716 HB1 ALA 716 4.866 2.074 -1.412 681 HB2 ALA 716 HB2 ALA 716 5.882 3.245 -2.252 682 HB3 ALA 716 HB3 ALA 716 4.569 3.800 -1.214 683 H GLU 717 HN GLU 717 5.274 5.306 0.418 684 HA GLU 717 HA GLU 717 7.155 7.142 -0.412 685 HB2 GLU 717 HB2 GLU 717 4.839 7.622 0.430 686 HB3 GLU 717 HB1 GLU 717 5.436 7.379 2.065 687 HG2 GLU 717 HG2 GLU 717 5.332 9.720 1.621 688 HG3 GLU 717 HG1 GLU 717 7.028 9.241 1.702 689 H GLU 718 HN GLU 718 6.882 5.552 2.751 690 HA GLU 718 HA GLU 718 9.112 6.758 3.960 691 HB2 GLU 718 HB2 GLU 718 7.350 5.477 5.164 692 HB3 GLU 718 HB1 GLU 718 8.007 3.997 4.481 693 HG2 GLU 718 HG2 GLU 718 10.185 4.578 5.595 694 HG3 GLU 718 HG1 GLU 718 9.317 5.860 6.437 695 H ALA 719 HN ALA 719 8.802 3.729 2.136 696 HA ALA 719 HA ALA 719 11.403 2.785 2.440 697 HB1 ALA 719 HB1 ALA 719 9.577 1.460 1.477 698 HB2 ALA 719 HB2 ALA 719 11.008 1.451 0.444 699 HB3 ALA 719 HB3 ALA 719 9.623 2.460 0.026 700 H TRP 720 HN TRP 720 10.065 4.910 -0.083 701 HA TRP 720 HA TRP 720 12.633 5.233 -1.317 702 HB2 TRP 720 HB2 TRP 720 10.033 6.718 -1.714 703 HB3 TRP 720 HB1 TRP 720 11.492 7.039 -2.647 704 HD1 TRP 720 HD1 TRP 720 12.280 3.837 -2.896 705 HE1 TRP 720 HE1 TRP 720 10.988 2.445 -4.626 706 HE3 TRP 720 HE3 TRP 720 8.159 6.833 -3.463 707 HZ2 TRP 720 HZ2 TRP 720 8.566 2.594 -6.057 708 HZ3 TRP 720 HZ3 TRP 720 6.407 6.131 -5.035 709 HH2 TRP 720 HH2 TRP 720 6.604 4.056 -6.308 710 H ALA 721 HN ALA 721 10.912 6.952 1.206 711 HA ALA 721 HA ALA 721 12.613 9.245 1.197 712 HB1 ALA 721 HB1 ALA 721 11.677 9.728 3.390 713 HB2 ALA 721 HB2 ALA 721 10.988 8.106 3.470 714 HB3 ALA 721 HB3 ALA 721 10.401 9.256 2.268 715 H GLN 722 HN GLN 722 12.741 6.086 2.565 716 HA GLN 722 HA GLN 722 15.210 6.633 4.027 717 HB2 GLN 722 HB2 GLN 722 13.297 4.309 3.962 718 HB3 GLN 722 HB1 GLN 722 14.874 4.185 4.719 719 HG2 GLN 722 HG2 GLN 722 14.310 5.914 6.294 720 HG3 GLN 722 HG1 GLN 722 12.776 6.203 5.477 721 HE21 GLN 722 HE21 GLN 722 12.243 3.392 5.020 722 HE22 GLN 722 HE22 GLN 722 11.793 2.722 6.547 723 H MET 723 HN MET 723 14.787 6.375 1.003 724 HA MET 723 HA MET 723 15.903 3.936 0.121 725 HB2 MET 723 HB2 MET 723 14.472 5.672 -1.152 726 HB3 MET 723 HB1 MET 723 15.996 6.483 -1.463 727 HG2 MET 723 HG2 MET 723 16.835 4.445 -2.546 728 HG3 MET 723 HG1 MET 723 15.271 3.679 -2.279 729 HE1 MET 723 HE1 MET 723 16.468 3.729 -5.158 730 HE2 MET 723 HE2 MET 723 15.069 4.245 -6.100 731 HE3 MET 723 HE3 MET 723 14.864 3.106 -4.769 732 H GLU 724 HN GLU 724 17.658 4.324 1.884 733 HA GLU 724 HA GLU 724 20.113 4.652 0.394 734 HB2 GLU 724 HB2 GLU 724 21.127 6.039 2.229 735 HB3 GLU 724 HB1 GLU 724 19.914 6.876 1.273 736 HG2 GLU 724 HG2 GLU 724 18.264 6.521 3.029 737 HG3 GLU 724 HG1 GLU 724 19.467 5.656 3.987 738 H GLU 725 HN GLU 725 18.585 2.529 1.406 739 HA GLU 725 HA GLU 725 19.789 1.590 3.866 740 HB2 GLU 725 HB2 GLU 725 17.418 1.225 3.564 741 HB3 GLU 725 HB1 GLU 725 17.687 0.442 2.018 742 HG2 GLU 725 HG2 GLU 725 17.136 -1.167 3.744 743 HG3 GLU 725 HG1 GLU 725 18.762 -1.429 3.124 Start of MODEL 3 1 H1 GLY 623 HT1 GLY 623 -20.211 -8.646 2.069 2 H2 GLY 623 HT2 GLY 623 -20.119 -7.081 1.431 3 H3 GLY 623 HT3 GLY 623 -21.460 -7.544 2.354 4 HA2 GLY 623 HA1 GLY 623 -18.686 -7.373 3.378 5 HA3 GLY 623 HA2 GLY 623 -19.902 -6.123 3.586 6 H SER 624 HN SER 624 -18.959 -9.399 4.472 7 HA SER 624 HA SER 624 -21.107 -9.917 6.232 8 HB2 SER 624 HB2 SER 624 -18.277 -10.969 6.438 9 HB3 SER 624 HB1 SER 624 -19.725 -11.698 7.124 10 HG SER 624 HG SER 624 -20.426 -11.653 4.757 11 H HIS 625 HN HIS 625 -17.945 -8.405 6.690 12 HA HIS 625 HA HIS 625 -18.915 -7.396 9.280 13 HB2 HIS 625 HB2 HIS 625 -16.115 -8.161 8.455 14 HB3 HIS 625 HB1 HIS 625 -16.428 -7.111 9.832 15 HD1 HIS 625 HD1 HIS 625 -17.737 -8.207 11.855 16 HD2 HIS 625 HD2 HIS 625 -16.439 -10.843 8.915 17 HE1 HIS 625 HE1 HIS 625 -17.884 -10.495 12.886 18 HE2 HIS 625 HE2 HIS 625 -17.274 -12.083 11.026 19 H MET 626 HN MET 626 -19.754 -5.521 8.639 20 HA MET 626 HA MET 626 -19.874 -3.352 8.037 21 HB2 MET 626 HB2 MET 626 -16.876 -3.609 7.957 22 HB3 MET 626 HB1 MET 626 -17.695 -2.116 7.518 23 HG2 MET 626 HG2 MET 626 -17.932 -3.514 10.173 24 HG3 MET 626 HG1 MET 626 -16.912 -2.116 9.839 25 HE1 MET 626 HE1 MET 626 -19.819 -0.657 12.067 26 HE2 MET 626 HE2 MET 626 -18.073 -0.851 11.908 27 HE3 MET 626 HE3 MET 626 -19.094 -2.260 12.191 28 H SER 627 HN SER 627 -20.590 -2.513 6.225 29 HA SER 627 HA SER 627 -19.491 -3.533 3.688 30 HB2 SER 627 HB2 SER 627 -21.882 -2.906 2.846 31 HB3 SER 627 HB1 SER 627 -21.666 -4.397 3.762 32 HG SER 627 HG SER 627 -22.531 -1.899 4.821 33 HA PRO 628 HA PRO 628 -18.680 0.997 3.831 34 HB2 PRO 628 HB2 PRO 628 -16.240 0.303 2.391 35 HB3 PRO 628 HB1 PRO 628 -16.419 1.098 3.956 36 HG2 PRO 628 HG2 PRO 628 -15.448 -1.412 3.694 37 HG3 PRO 628 HG1 PRO 628 -16.369 -0.882 5.115 38 HD2 PRO 628 HD2 PRO 628 -17.284 -2.478 2.750 39 HD3 PRO 628 HD1 PRO 628 -17.653 -2.706 4.472 40 H ASP 629 HN ASP 629 -20.525 0.793 2.241 41 HA ASP 629 HA ASP 629 -19.977 0.528 -0.528 42 HB2 ASP 629 HB2 ASP 629 -22.198 1.260 -0.905 43 HB3 ASP 629 HB1 ASP 629 -22.264 0.397 0.626 44 H ARG 630 HN ARG 630 -19.691 3.124 1.747 45 HA ARG 630 HA ARG 630 -19.057 5.027 -0.379 46 HB2 ARG 630 HB2 ARG 630 -20.521 5.801 1.443 47 HB3 ARG 630 HB1 ARG 630 -19.261 5.439 2.613 48 HG2 ARG 630 HG2 ARG 630 -17.813 7.111 1.517 49 HG3 ARG 630 HG1 ARG 630 -19.148 7.514 0.435 50 HD2 ARG 630 HD2 ARG 630 -20.402 8.464 2.136 51 HD3 ARG 630 HD1 ARG 630 -19.520 7.604 3.399 52 HE ARG 630 HE ARG 630 -17.576 9.110 2.500 53 HH11 ARG 630 HH11 ARG 630 -20.926 10.021 2.993 54 HH12 ARG 630 HH12 ARG 630 -20.550 11.676 3.347 55 HH21 ARG 630 HH21 ARG 630 -17.079 11.261 2.974 56 HH22 ARG 630 HH22 ARG 630 -18.355 12.385 3.345 57 H CYS 631 HN CYS 631 -17.313 3.013 -0.394 58 HA CYS 631 HA CYS 631 -14.957 3.697 1.133 59 HB2 CYS 631 HB2 CYS 631 -13.932 1.919 -0.433 60 HB3 CYS 631 HB1 CYS 631 -15.144 1.390 0.728 61 HG CYS 631 HG CYS 631 -16.901 0.526 -0.954 62 H GLN 632 HN GLN 632 -15.328 5.955 0.174 63 HA GLN 632 HA GLN 632 -13.732 6.221 -2.270 64 HB2 GLN 632 HB2 GLN 632 -15.293 7.978 -3.063 65 HB3 GLN 632 HB1 GLN 632 -16.028 6.382 -2.979 66 HG2 GLN 632 HG2 GLN 632 -17.055 6.997 -0.830 67 HG3 GLN 632 HG1 GLN 632 -16.365 8.612 -0.986 68 HE21 GLN 632 HE21 GLN 632 -17.189 10.011 -2.538 69 HE22 GLN 632 HE22 GLN 632 -18.728 9.748 -3.281 70 H ASP 633 HN ASP 633 -14.209 7.119 0.911 71 HA ASP 633 HA ASP 633 -13.437 9.872 0.706 72 HB2 ASP 633 HB2 ASP 633 -13.530 8.034 3.103 73 HB3 ASP 633 HB1 ASP 633 -13.205 9.761 3.181 74 H TRP 634 HN TRP 634 -11.790 6.846 0.921 75 HA TRP 634 HA TRP 634 -9.348 7.800 1.961 76 HB2 TRP 634 HB2 TRP 634 -8.347 5.716 1.136 77 HB3 TRP 634 HB1 TRP 634 -9.861 5.409 1.974 78 HD1 TRP 634 HD1 TRP 634 -11.832 4.341 0.588 79 HE1 TRP 634 HE1 TRP 634 -11.970 3.270 -1.744 80 HE3 TRP 634 HE3 TRP 634 -7.341 5.912 -1.291 81 HZ2 TRP 634 HZ2 TRP 634 -10.383 3.103 -4.069 82 HZ3 TRP 634 HZ3 TRP 634 -6.729 5.248 -3.579 83 HH2 TRP 634 HH2 TRP 634 -8.218 3.873 -4.937 84 H LEU 635 HN LEU 635 -10.763 7.899 -1.208 85 HA LEU 635 HA LEU 635 -8.416 8.433 -2.691 86 HB2 LEU 635 HB2 LEU 635 -11.280 9.258 -3.157 87 HB3 LEU 635 HB1 LEU 635 -9.987 9.632 -4.277 88 HG LEU 635 HG LEU 635 -9.613 7.021 -4.212 89 HD11 LEU 635 HD11 LEU 635 -11.260 6.556 -2.504 90 HD12 LEU 635 HD12 LEU 635 -11.743 5.826 -4.035 91 HD13 LEU 635 HD13 LEU 635 -12.518 7.311 -3.482 92 HD21 LEU 635 HD21 LEU 635 -10.149 8.337 -6.187 93 HD22 LEU 635 HD22 LEU 635 -11.852 8.347 -5.729 94 HD23 LEU 635 HD23 LEU 635 -11.064 6.829 -6.161 95 H GLU 636 HN GLU 636 -10.730 10.508 -1.037 96 HA GLU 636 HA GLU 636 -9.496 12.957 -1.721 97 HB2 GLU 636 HB2 GLU 636 -11.285 12.277 0.619 98 HB3 GLU 636 HB1 GLU 636 -10.896 13.906 0.077 99 HG2 GLU 636 HG2 GLU 636 -12.473 11.815 -1.400 100 HG3 GLU 636 HG1 GLU 636 -13.070 13.329 -0.722 101 H ALA 637 HN ALA 637 -9.301 10.844 1.102 102 HA ALA 637 HA ALA 637 -7.577 12.418 2.652 103 HB1 ALA 637 HB1 ALA 637 -7.788 9.411 2.605 104 HB2 ALA 637 HB2 ALA 637 -8.846 10.493 3.512 105 HB3 ALA 637 HB3 ALA 637 -7.131 10.396 3.912 106 H LEU 638 HN LEU 638 -6.901 9.880 0.273 107 HA LEU 638 HA LEU 638 -4.073 10.009 0.629 108 HB2 LEU 638 HB2 LEU 638 -5.506 8.066 -0.255 109 HB3 LEU 638 HB1 LEU 638 -5.494 8.916 -1.785 110 HG LEU 638 HG LEU 638 -3.018 8.764 -1.824 111 HD11 LEU 638 HD11 LEU 638 -1.965 7.121 -0.262 112 HD12 LEU 638 HD12 LEU 638 -3.451 7.154 0.687 113 HD13 LEU 638 HD13 LEU 638 -2.487 8.619 0.503 114 HD21 LEU 638 HD21 LEU 638 -2.921 6.379 -2.342 115 HD22 LEU 638 HD22 LEU 638 -4.394 7.108 -2.979 116 HD23 LEU 638 HD23 LEU 638 -4.458 6.130 -1.513 117 H HIS 639 HN HIS 639 -6.352 11.807 -1.205 118 HA HIS 639 HA HIS 639 -4.600 12.752 -3.250 119 HB2 HIS 639 HB2 HIS 639 -7.052 12.787 -3.488 120 HB3 HIS 639 HB1 HIS 639 -7.169 13.947 -2.173 121 HD1 HIS 639 HD1 HIS 639 -5.977 13.674 -5.749 122 HD2 HIS 639 HD2 HIS 639 -6.847 16.576 -2.900 123 HE1 HIS 639 HE1 HIS 639 -5.940 15.866 -6.981 124 HE2 HIS 639 HE2 HIS 639 -6.371 17.615 -5.220 125 H TRP 640 HN TRP 640 -5.577 13.948 -0.084 126 HA TRP 640 HA TRP 640 -3.871 16.295 -0.358 127 HB2 TRP 640 HB2 TRP 640 -5.783 15.455 1.826 128 HB3 TRP 640 HB1 TRP 640 -4.817 16.926 1.872 129 HD1 TRP 640 HD1 TRP 640 -7.961 15.470 0.376 130 HE1 TRP 640 HE1 TRP 640 -9.207 17.289 -0.946 131 HE3 TRP 640 HE3 TRP 640 -4.371 19.126 0.421 132 HZ2 TRP 640 HZ2 TRP 640 -8.739 19.918 -1.849 133 HZ3 TRP 640 HZ3 TRP 640 -4.859 21.263 -0.700 134 HH2 TRP 640 HH2 TRP 640 -6.997 21.648 -1.809 135 H TYR 641 HN TYR 641 -3.093 13.348 0.081 136 HA TYR 641 HA TYR 641 -1.888 13.156 2.649 137 HB2 TYR 641 HB2 TYR 641 -2.575 11.311 0.891 138 HB3 TYR 641 HB1 TYR 641 -0.932 11.549 0.309 139 HD1 TYR 641 HD1 TYR 641 0.954 10.727 1.563 140 HD2 TYR 641 HD2 TYR 641 -2.985 10.440 3.140 141 HE1 TYR 641 HE1 TYR 641 1.762 9.176 3.295 142 HE2 TYR 641 HE2 TYR 641 -2.185 8.901 4.870 143 HH TYR 641 HH TYR 641 -0.345 7.331 5.209 144 H ASN 642 HN ASN 642 -0.854 15.365 2.421 145 HA ASN 642 HA ASN 642 1.741 15.218 1.062 146 HB2 ASN 642 HB2 ASN 642 0.307 17.572 2.315 147 HB3 ASN 642 HB1 ASN 642 1.905 17.653 1.589 148 HD21 ASN 642 HD21 ASN 642 1.212 15.784 -0.553 149 HD22 ASN 642 HD22 ASN 642 0.209 16.667 -1.649 150 H THR 643 HN THR 643 1.935 13.519 2.899 151 HA THR 643 HA THR 643 3.749 14.581 4.818 152 HB THR 643 HB THR 643 1.727 15.160 6.025 153 HG1 THR 643 HG1 THR 643 2.095 13.247 7.741 154 HG21 THR 643 HG21 THR 643 0.951 12.256 5.734 155 HG22 THR 643 HG22 THR 643 0.148 13.637 4.987 156 HG23 THR 643 HG23 THR 643 0.113 13.438 6.738 157 H ALA 644 HN ALA 644 5.153 13.022 5.486 158 HA ALA 644 HA ALA 644 4.792 10.356 4.412 159 HB1 ALA 644 HB1 ALA 644 7.093 9.972 5.097 160 HB2 ALA 644 HB2 ALA 644 7.112 11.517 5.949 161 HB3 ALA 644 HB3 ALA 644 6.960 11.482 4.193 162 H LEU 645 HN LEU 645 4.136 11.971 7.288 163 HA LEU 645 HA LEU 645 3.924 9.413 8.718 164 HB2 LEU 645 HB2 LEU 645 4.645 12.116 9.846 165 HB3 LEU 645 HB1 LEU 645 4.279 10.708 10.822 166 HG LEU 645 HG LEU 645 6.557 10.842 8.847 167 HD11 LEU 645 HD11 LEU 645 8.012 11.095 10.781 168 HD12 LEU 645 HD12 LEU 645 6.607 11.162 11.844 169 HD13 LEU 645 HD13 LEU 645 6.882 12.445 10.665 170 HD21 LEU 645 HD21 LEU 645 7.344 8.845 10.049 171 HD22 LEU 645 HD22 LEU 645 5.784 8.581 9.273 172 HD23 LEU 645 HD23 LEU 645 5.867 8.857 11.012 173 H GLU 646 HN GLU 646 1.856 8.900 8.796 174 HA GLU 646 HA GLU 646 -0.008 10.832 9.948 175 HB2 GLU 646 HB2 GLU 646 -0.388 10.879 7.507 176 HB3 GLU 646 HB1 GLU 646 -0.624 9.137 7.517 177 HG2 GLU 646 HG2 GLU 646 -2.555 9.466 9.045 178 HG3 GLU 646 HG1 GLU 646 -2.355 11.205 8.847 179 H MET 647 HN MET 647 -1.242 9.931 11.515 180 HA MET 647 HA MET 647 -0.878 7.119 12.088 181 HB2 MET 647 HB2 MET 647 -0.874 8.803 13.907 182 HB3 MET 647 HB1 MET 647 -2.549 9.178 13.538 183 HG2 MET 647 HG2 MET 647 -3.174 6.869 14.089 184 HG3 MET 647 HG1 MET 647 -1.497 6.529 14.506 185 HE1 MET 647 HE1 MET 647 -4.718 8.536 15.393 186 HE2 MET 647 HE2 MET 647 -3.541 9.838 15.224 187 HE3 MET 647 HE3 MET 647 -4.213 9.458 16.808 188 H THR 648 HN THR 648 -1.949 6.036 10.464 189 HA THR 648 HA THR 648 -4.624 6.659 9.703 190 HB THR 648 HB THR 648 -3.463 3.960 9.188 191 HG1 THR 648 HG1 THR 648 -2.630 6.233 7.692 192 HG21 THR 648 HG21 THR 648 -5.641 4.571 8.256 193 HG22 THR 648 HG22 THR 648 -4.448 4.341 6.979 194 HG23 THR 648 HG23 THR 648 -4.915 5.970 7.464 195 H ASP 649 HN ASP 649 -5.369 6.654 12.021 196 HA ASP 649 HA ASP 649 -5.978 3.942 12.967 197 HB2 ASP 649 HB2 ASP 649 -4.859 5.430 14.598 198 HB3 ASP 649 HB1 ASP 649 -6.203 6.562 14.466 199 H CYS 650 HN CYS 650 -7.575 3.789 11.245 200 HA CYS 650 HA CYS 650 -10.163 4.696 12.217 201 HB2 CYS 650 HB2 CYS 650 -9.271 5.163 9.362 202 HB3 CYS 650 HB1 CYS 650 -10.889 5.454 9.988 203 HG CYS 650 HG CYS 650 -8.946 7.122 11.935 204 H ASP 651 HN ASP 651 -8.606 2.156 11.951 205 HA ASP 651 HA ASP 651 -10.723 0.497 11.035 206 HB2 ASP 651 HB2 ASP 651 -9.965 1.011 8.822 207 HB3 ASP 651 HB1 ASP 651 -8.283 0.748 9.272 208 H GLU 652 HN GLU 652 -10.631 -1.348 12.145 209 HA GLU 652 HA GLU 652 -8.041 -2.168 13.279 210 HB2 GLU 652 HB2 GLU 652 -10.870 -2.572 14.229 211 HB3 GLU 652 HB1 GLU 652 -9.556 -3.573 14.824 212 HG2 GLU 652 HG2 GLU 652 -9.971 -1.823 16.393 213 HG3 GLU 652 HG1 GLU 652 -8.415 -1.532 15.622 214 H GLY 653 HN GLY 653 -8.751 -2.755 10.594 215 HA2 GLY 653 HA2 GLY 653 -8.337 -4.640 9.277 216 HA3 GLY 653 HA1 GLY 653 -8.574 -5.656 10.691 217 H GLY 654 HN GLY 654 -10.713 -3.197 9.305 218 HA2 GLY 654 HA2 GLY 654 -12.804 -5.267 9.137 219 HA3 GLY 654 HA1 GLY 654 -13.097 -3.545 9.345 220 H GLU 655 HN GLU 655 -14.205 -2.956 7.587 221 HA GLU 655 HA GLU 655 -14.907 -2.803 5.423 222 HB2 GLU 655 HB2 GLU 655 -11.917 -2.717 4.973 223 HB3 GLU 655 HB1 GLU 655 -13.121 -2.259 3.779 224 HG2 GLU 655 HG2 GLU 655 -13.906 -0.481 5.285 225 HG3 GLU 655 HG1 GLU 655 -12.640 -0.919 6.431 226 H TYR 656 HN TYR 656 -15.319 -5.266 6.085 227 HA TYR 656 HA TYR 656 -13.804 -7.059 4.349 228 HB2 TYR 656 HB2 TYR 656 -14.160 -7.688 6.729 229 HB3 TYR 656 HB1 TYR 656 -15.893 -7.731 6.430 230 HD1 TYR 656 HD1 TYR 656 -16.882 -9.744 5.841 231 HD2 TYR 656 HD2 TYR 656 -12.721 -9.221 5.183 232 HE1 TYR 656 HE1 TYR 656 -16.703 -12.098 5.157 233 HE2 TYR 656 HE2 TYR 656 -12.524 -11.574 4.494 234 HH TYR 656 HH TYR 656 -13.694 -13.676 4.789 235 H ASP 657 HN ASP 657 -14.798 -6.004 2.480 236 HA ASP 657 HA ASP 657 -17.217 -7.484 1.740 237 HB2 ASP 657 HB2 ASP 657 -17.864 -5.136 2.202 238 HB3 ASP 657 HB1 ASP 657 -16.686 -4.596 1.011 239 H GLY 658 HN GLY 658 -16.543 -8.861 0.229 240 HA2 GLY 658 HA2 GLY 658 -15.664 -9.589 -1.784 241 HA3 GLY 658 HA1 GLY 658 -15.296 -7.914 -2.174 242 H MET 659 HN MET 659 -14.178 -9.288 0.789 243 HA MET 659 HA MET 659 -11.447 -8.841 0.022 244 HB2 MET 659 HB2 MET 659 -12.129 -8.270 2.275 245 HB3 MET 659 HB1 MET 659 -12.661 -9.919 2.572 246 HG2 MET 659 HG2 MET 659 -10.406 -10.729 2.489 247 HG3 MET 659 HG1 MET 659 -9.809 -9.149 1.985 248 HE1 MET 659 HE1 MET 659 -8.393 -9.596 5.636 249 HE2 MET 659 HE2 MET 659 -7.986 -9.407 3.930 250 HE3 MET 659 HE3 MET 659 -8.693 -10.915 4.507 251 H GLN 660 HN GLN 660 -10.665 -10.230 -1.353 252 HA GLN 660 HA GLN 660 -11.239 -12.893 -1.738 253 HB2 GLN 660 HB2 GLN 660 -8.639 -11.405 -2.153 254 HB3 GLN 660 HB1 GLN 660 -8.987 -12.997 -2.817 255 HG2 GLN 660 HG2 GLN 660 -10.718 -12.138 -4.193 256 HG3 GLN 660 HG1 GLN 660 -10.670 -10.574 -3.382 257 HE21 GLN 660 HE21 GLN 660 -10.333 -9.492 -5.312 258 HE22 GLN 660 HE22 GLN 660 -8.824 -9.543 -6.159 259 H ASP 661 HN ASP 661 -10.526 -14.787 -0.957 260 HA ASP 661 HA ASP 661 -9.739 -14.898 1.746 261 HB2 ASP 661 HB2 ASP 661 -9.832 -17.079 -0.350 262 HB3 ASP 661 HB1 ASP 661 -9.609 -17.354 1.373 263 H GLU 662 HN GLU 662 -7.994 -15.136 -1.256 264 HA GLU 662 HA GLU 662 -5.494 -15.209 0.289 265 HB2 GLU 662 HB2 GLU 662 -6.099 -16.039 -2.542 266 HB3 GLU 662 HB1 GLU 662 -4.457 -15.717 -2.002 267 HG2 GLU 662 HG2 GLU 662 -6.323 -17.789 -0.871 268 HG3 GLU 662 HG1 GLU 662 -4.944 -18.087 -1.929 269 HA PRO 663 HA PRO 663 -5.953 -10.918 -1.145 270 HB2 PRO 663 HB2 PRO 663 -4.720 -9.755 0.967 271 HB3 PRO 663 HB1 PRO 663 -6.409 -10.273 1.016 272 HG2 PRO 663 HG2 PRO 663 -3.991 -11.589 2.168 273 HG3 PRO 663 HG1 PRO 663 -5.644 -11.502 2.812 274 HD2 PRO 663 HD2 PRO 663 -4.553 -13.689 1.498 275 HD3 PRO 663 HD1 PRO 663 -6.296 -13.374 1.664 276 H ARG 664 HN ARG 664 -4.615 -10.239 -2.664 277 HA ARG 664 HA ARG 664 -1.941 -11.156 -2.871 278 HB2 ARG 664 HB2 ARG 664 -3.356 -8.951 -4.379 279 HB3 ARG 664 HB1 ARG 664 -1.796 -9.633 -4.817 280 HG2 ARG 664 HG2 ARG 664 -2.879 -11.829 -5.126 281 HG3 ARG 664 HG1 ARG 664 -4.438 -11.077 -4.778 282 HD2 ARG 664 HD2 ARG 664 -4.148 -11.235 -7.167 283 HD3 ARG 664 HD1 ARG 664 -4.074 -9.541 -6.681 284 HE ARG 664 HE ARG 664 -1.502 -10.813 -6.834 285 HH11 ARG 664 HH11 ARG 664 -3.970 -9.116 -8.646 286 HH12 ARG 664 HH12 ARG 664 -2.875 -8.577 -9.878 287 HH21 ARG 664 HH21 ARG 664 -0.053 -10.112 -8.458 288 HH22 ARG 664 HH22 ARG 664 -0.643 -9.146 -9.773 289 H TYR 665 HN TYR 665 -3.395 -8.207 -1.670 290 HA TYR 665 HA TYR 665 -1.108 -6.590 -1.831 291 HB2 TYR 665 HB2 TYR 665 -2.309 -5.163 -0.110 292 HB3 TYR 665 HB1 TYR 665 -3.148 -5.450 -1.626 293 HD1 TYR 665 HD1 TYR 665 -4.964 -7.274 -1.635 294 HD2 TYR 665 HD2 TYR 665 -3.351 -5.584 1.917 295 HE1 TYR 665 HE1 TYR 665 -6.964 -7.982 -0.396 296 HE2 TYR 665 HE2 TYR 665 -5.347 -6.295 3.170 297 HH TYR 665 HH TYR 665 -7.597 -8.496 1.940 298 H MET 666 HN MET 666 -2.086 -8.928 0.550 299 HA MET 666 HA MET 666 -0.228 -7.997 2.536 300 HB2 MET 666 HB2 MET 666 -1.932 -10.468 2.286 301 HB3 MET 666 HB1 MET 666 -0.739 -10.295 3.575 302 HG2 MET 666 HG2 MET 666 -1.855 -8.324 4.403 303 HG3 MET 666 HG1 MET 666 -2.991 -8.363 3.059 304 HE1 MET 666 HE1 MET 666 -3.885 -8.146 6.098 305 HE2 MET 666 HE2 MET 666 -5.223 -9.293 6.147 306 HE3 MET 666 HE3 MET 666 -5.037 -8.215 4.764 307 H MET 667 HN MET 667 -0.274 -10.520 0.067 308 HA MET 667 HA MET 667 2.228 -11.653 0.822 309 HB2 MET 667 HB2 MET 667 0.411 -12.759 -0.577 310 HB3 MET 667 HB1 MET 667 0.940 -11.751 -1.911 311 HG2 MET 667 HG2 MET 667 2.801 -13.625 -0.479 312 HG3 MET 667 HG1 MET 667 1.805 -14.132 -1.836 313 HE1 MET 667 HE1 MET 667 2.220 -13.486 -4.317 314 HE2 MET 667 HE2 MET 667 3.235 -12.134 -4.816 315 HE3 MET 667 HE3 MET 667 1.785 -11.841 -3.858 316 H LEU 668 HN LEU 668 1.169 -9.281 -1.545 317 HA LEU 668 HA LEU 668 3.655 -8.693 -2.714 318 HB2 LEU 668 HB2 LEU 668 1.029 -7.304 -2.492 319 HB3 LEU 668 HB1 LEU 668 2.410 -6.346 -2.980 320 HG LEU 668 HG LEU 668 2.719 -7.642 -4.967 321 HD11 LEU 668 HD11 LEU 668 2.243 -9.860 -4.048 322 HD12 LEU 668 HD12 LEU 668 1.351 -9.562 -5.539 323 HD13 LEU 668 HD13 LEU 668 0.527 -9.460 -3.985 324 HD21 LEU 668 HD21 LEU 668 0.954 -5.930 -4.996 325 HD22 LEU 668 HD22 LEU 668 -0.232 -7.167 -4.587 326 HD23 LEU 668 HD23 LEU 668 0.634 -7.248 -6.121 327 H ALA 669 HN ALA 669 2.063 -7.439 0.211 328 HA ALA 669 HA ALA 669 4.002 -5.345 0.562 329 HB1 ALA 669 HB1 ALA 669 1.971 -6.451 2.495 330 HB2 ALA 669 HB2 ALA 669 1.727 -5.087 1.405 331 HB3 ALA 669 HB3 ALA 669 2.908 -4.972 2.710 332 H ARG 670 HN ARG 670 3.490 -8.619 1.780 333 HA ARG 670 HA ARG 670 5.567 -8.556 3.711 334 HB2 ARG 670 HB2 ARG 670 3.719 -10.290 3.530 335 HB3 ARG 670 HB1 ARG 670 4.633 -10.996 2.202 336 HG2 ARG 670 HG2 ARG 670 6.566 -11.235 3.755 337 HG3 ARG 670 HG1 ARG 670 5.505 -10.719 5.067 338 HD2 ARG 670 HD2 ARG 670 5.530 -13.081 5.116 339 HD3 ARG 670 HD1 ARG 670 3.981 -12.613 4.419 340 HE ARG 670 HE ARG 670 4.730 -13.348 2.305 341 HH11 ARG 670 HH11 ARG 670 7.095 -13.888 4.834 342 HH12 ARG 670 HH12 ARG 670 7.974 -15.087 3.932 343 HH21 ARG 670 HH21 ARG 670 5.888 -14.925 1.119 344 HH22 ARG 670 HH22 ARG 670 7.286 -15.673 1.826 345 H GLU 671 HN GLU 671 5.418 -9.354 0.279 346 HA GLU 671 HA GLU 671 8.099 -10.230 0.031 347 HB2 GLU 671 HB2 GLU 671 6.341 -10.686 -1.654 348 HB3 GLU 671 HB1 GLU 671 6.287 -8.974 -2.044 349 HG2 GLU 671 HG2 GLU 671 8.480 -9.023 -2.937 350 HG3 GLU 671 HG1 GLU 671 8.756 -10.657 -2.334 351 H ALA 672 HN ALA 672 6.490 -7.114 -0.486 352 HA ALA 672 HA ALA 672 8.711 -5.561 -1.098 353 HB1 ALA 672 HB1 ALA 672 6.352 -4.822 -1.216 354 HB2 ALA 672 HB2 ALA 672 7.405 -3.669 -0.398 355 HB3 ALA 672 HB3 ALA 672 6.333 -4.704 0.543 356 H GLU 673 HN GLU 673 7.435 -6.547 2.042 357 HA GLU 673 HA GLU 673 9.208 -5.074 3.658 358 HB2 GLU 673 HB2 GLU 673 7.205 -6.039 4.592 359 HB3 GLU 673 HB1 GLU 673 7.729 -7.660 4.161 360 HG2 GLU 673 HG2 GLU 673 9.525 -7.548 5.764 361 HG3 GLU 673 HG1 GLU 673 9.123 -5.873 6.138 362 H MET 674 HN MET 674 9.399 -8.319 2.253 363 HA MET 674 HA MET 674 11.913 -8.955 3.450 364 HB2 MET 674 HB2 MET 674 10.479 -10.131 1.064 365 HB3 MET 674 HB1 MET 674 11.997 -10.758 1.687 366 HG2 MET 674 HG2 MET 674 10.851 -11.110 3.882 367 HG3 MET 674 HG1 MET 674 9.338 -10.679 3.088 368 HE1 MET 674 HE1 MET 674 8.929 -13.552 0.466 369 HE2 MET 674 HE2 MET 674 9.668 -11.973 0.205 370 HE3 MET 674 HE3 MET 674 8.202 -12.110 1.177 371 H LEU 675 HN LEU 675 10.936 -7.163 0.643 372 HA LEU 675 HA LEU 675 13.540 -7.167 -0.585 373 HB2 LEU 675 HB2 LEU 675 10.888 -5.991 -1.125 374 HB3 LEU 675 HB1 LEU 675 12.250 -5.034 -1.670 375 HG LEU 675 HG LEU 675 11.330 -6.479 -3.437 376 HD11 LEU 675 HD11 LEU 675 13.636 -5.815 -3.573 377 HD12 LEU 675 HD12 LEU 675 13.462 -7.472 -4.149 378 HD13 LEU 675 HD13 LEU 675 14.122 -7.162 -2.545 379 HD21 LEU 675 HD21 LEU 675 10.597 -8.347 -2.043 380 HD22 LEU 675 HD22 LEU 675 12.277 -8.757 -1.706 381 HD23 LEU 675 HD23 LEU 675 11.651 -8.887 -3.347 382 H PHE 676 HN PHE 676 11.787 -5.204 1.710 383 HA PHE 676 HA PHE 676 13.616 -2.989 1.487 384 HB2 PHE 676 HB2 PHE 676 11.175 -2.769 2.111 385 HB3 PHE 676 HB1 PHE 676 11.587 -3.465 3.680 386 HD1 PHE 676 HD1 PHE 676 11.735 -1.930 5.361 387 HD2 PHE 676 HD2 PHE 676 13.008 -0.800 1.460 388 HE1 PHE 676 HE1 PHE 676 12.339 0.299 6.207 389 HE2 PHE 676 HE2 PHE 676 13.611 1.431 2.301 390 HZ PHE 676 HZ PHE 676 13.259 2.003 4.635 391 H THR 677 HN THR 677 12.960 -5.454 4.006 392 HA THR 677 HA THR 677 15.276 -4.485 5.469 393 HB THR 677 HB THR 677 14.530 -6.107 7.221 394 HG1 THR 677 HG1 THR 677 12.261 -6.428 5.508 395 HG21 THR 677 HG21 THR 677 12.445 -4.160 6.243 396 HG22 THR 677 HG22 THR 677 13.820 -3.768 7.275 397 HG23 THR 677 HG23 THR 677 12.544 -4.831 7.870 398 H GLY 678 HN GLY 678 14.560 -6.946 3.238 399 HA2 GLY 678 HA2 GLY 678 16.253 -8.357 2.329 400 HA3 GLY 678 HA1 GLY 678 17.109 -8.265 3.865 401 H GLY 679 HN GLY 679 15.588 -10.390 1.998 402 HA2 GLY 679 HA2 GLY 679 14.552 -11.897 4.303 403 HA3 GLY 679 HA1 GLY 679 13.586 -11.737 2.844 404 H TYR 680 HN TYR 680 13.926 -14.194 3.471 405 HA TYR 680 HA TYR 680 16.357 -15.420 2.697 406 HB2 TYR 680 HB2 TYR 680 14.904 -17.534 2.647 407 HB3 TYR 680 HB1 TYR 680 15.007 -16.675 4.180 408 HD1 TYR 680 HD1 TYR 680 12.832 -17.929 1.613 409 HD2 TYR 680 HD2 TYR 680 13.043 -15.181 4.852 410 HE1 TYR 680 HE1 TYR 680 10.379 -17.851 1.706 411 HE2 TYR 680 HE2 TYR 680 10.589 -15.100 4.951 412 HH TYR 680 HH TYR 680 8.613 -17.328 3.288 413 H GLY 681 HN GLY 681 16.987 -14.744 0.681 414 HA2 GLY 681 HA2 GLY 681 17.186 -15.444 -1.585 415 HA3 GLY 681 HA1 GLY 681 15.504 -15.966 -1.543 416 H LEU 682 HN LEU 682 15.569 -13.073 -0.041 417 HA LEU 682 HA LEU 682 14.942 -11.623 -2.522 418 HB2 LEU 682 HB2 LEU 682 13.835 -11.308 0.267 419 HB3 LEU 682 HB1 LEU 682 13.593 -10.118 -0.990 420 HG LEU 682 HG LEU 682 11.607 -11.386 -0.886 421 HD11 LEU 682 HD11 LEU 682 13.173 -12.531 -3.185 422 HD12 LEU 682 HD12 LEU 682 12.434 -10.931 -3.156 423 HD13 LEU 682 HD13 LEU 682 11.422 -12.372 -3.065 424 HD21 LEU 682 HD21 LEU 682 13.255 -13.901 -1.083 425 HD22 LEU 682 HD22 LEU 682 11.497 -13.801 -0.994 426 HD23 LEU 682 HD23 LEU 682 12.477 -13.293 0.379 427 H GLU 683 HN GLU 683 16.208 -9.955 -3.015 428 HA GLU 683 HA GLU 683 18.336 -9.226 -1.208 429 HB2 GLU 683 HB2 GLU 683 19.160 -7.821 -3.008 430 HB3 GLU 683 HB1 GLU 683 18.766 -9.416 -3.625 431 HG2 GLU 683 HG2 GLU 683 16.714 -7.275 -3.812 432 HG3 GLU 683 HG1 GLU 683 18.091 -7.228 -4.910 433 H LYS 684 HN LYS 684 18.841 -6.831 -0.987 434 HA LYS 684 HA LYS 684 16.429 -5.536 0.026 435 HB2 LYS 684 HB2 LYS 684 18.391 -5.851 1.536 436 HB3 LYS 684 HB1 LYS 684 19.335 -4.817 0.474 437 HG2 LYS 684 HG2 LYS 684 17.912 -2.933 0.974 438 HG3 LYS 684 HG1 LYS 684 16.854 -3.956 1.951 439 HD2 LYS 684 HD2 LYS 684 18.756 -4.430 3.451 440 HD3 LYS 684 HD1 LYS 684 19.750 -3.319 2.506 441 HE2 LYS 684 HE2 LYS 684 18.256 -1.477 3.066 442 HE3 LYS 684 HE1 LYS 684 17.206 -2.581 3.955 443 HZ1 LYS 684 HZ1 LYS 684 19.994 -1.838 4.638 444 HZ2 LYS 684 HZ2 LYS 684 19.122 -3.052 5.425 445 HZ3 LYS 684 HZ3 LYS 684 18.590 -1.447 5.507 446 H ASP 685 HN ASP 685 15.458 -4.372 -1.502 447 HA ASP 685 HA ASP 685 17.072 -2.434 -3.011 448 HB2 ASP 685 HB2 ASP 685 16.645 -4.479 -4.417 449 HB3 ASP 685 HB1 ASP 685 14.919 -4.142 -4.282 450 HA PRO 686 HA PRO 686 13.693 -0.116 -0.955 451 HB2 PRO 686 HB2 PRO 686 15.250 2.062 -2.275 452 HB3 PRO 686 HB1 PRO 686 14.625 1.968 -0.622 453 HG2 PRO 686 HG2 PRO 686 17.213 1.597 -1.108 454 HG3 PRO 686 HG1 PRO 686 16.366 0.605 0.096 455 HD2 PRO 686 HD2 PRO 686 17.233 -0.110 -2.683 456 HD3 PRO 686 HD1 PRO 686 17.201 -1.115 -1.215 457 H GLN 687 HN GLN 687 14.837 0.147 -4.279 458 HA GLN 687 HA GLN 687 12.696 1.745 -5.240 459 HB2 GLN 687 HB2 GLN 687 14.855 1.498 -6.422 460 HB3 GLN 687 HB1 GLN 687 14.467 -0.182 -6.756 461 HG2 GLN 687 HG2 GLN 687 14.074 1.214 -8.700 462 HG3 GLN 687 HG1 GLN 687 12.570 0.507 -8.113 463 HE21 GLN 687 HE21 GLN 687 10.972 1.833 -7.319 464 HE22 GLN 687 HE22 GLN 687 11.034 3.560 -7.425 465 H ARG 688 HN ARG 688 13.348 -1.766 -5.472 466 HA ARG 688 HA ARG 688 10.827 -2.355 -6.643 467 HB2 ARG 688 HB2 ARG 688 12.958 -3.794 -6.681 468 HB3 ARG 688 HB1 ARG 688 12.493 -4.306 -5.065 469 HG2 ARG 688 HG2 ARG 688 10.305 -5.051 -6.018 470 HG3 ARG 688 HG1 ARG 688 10.965 -4.719 -7.619 471 HD2 ARG 688 HD2 ARG 688 11.929 -6.730 -5.602 472 HD3 ARG 688 HD1 ARG 688 11.254 -7.044 -7.200 473 HE ARG 688 HE ARG 688 13.411 -5.597 -7.815 474 HH11 ARG 688 HH11 ARG 688 12.976 -8.392 -5.762 475 HH12 ARG 688 HH12 ARG 688 14.635 -8.895 -5.870 476 HH21 ARG 688 HH21 ARG 688 15.594 -6.262 -7.985 477 HH22 ARG 688 HH22 ARG 688 16.119 -7.696 -7.152 478 H SER 689 HN SER 689 12.079 -2.237 -3.358 479 HA SER 689 HA SER 689 9.979 -3.376 -1.974 480 HB2 SER 689 HB2 SER 689 12.121 -2.565 -0.960 481 HB3 SER 689 HB1 SER 689 11.507 -0.916 -1.103 482 HG SER 689 HG SER 689 10.411 -3.040 0.428 483 H GLY 690 HN GLY 690 10.324 0.112 -2.927 484 HA2 GLY 690 HA2 GLY 690 7.764 0.780 -1.924 485 HA3 GLY 690 HA1 GLY 690 8.763 1.744 -3.014 486 H ASP 691 HN ASP 691 8.974 -0.375 -5.014 487 HA ASP 691 HA ASP 691 6.671 0.192 -6.561 488 HB2 ASP 691 HB2 ASP 691 8.779 -0.483 -7.611 489 HB3 ASP 691 HB1 ASP 691 8.673 -2.068 -6.842 490 H LEU 692 HN LEU 692 7.606 -2.630 -4.641 491 HA LEU 692 HA LEU 692 5.247 -4.108 -5.219 492 HB2 LEU 692 HB2 LEU 692 7.344 -4.380 -3.075 493 HB3 LEU 692 HB1 LEU 692 6.008 -5.501 -3.262 494 HG LEU 692 HG LEU 692 7.956 -4.958 -5.489 495 HD11 LEU 692 HD11 LEU 692 9.098 -7.025 -4.801 496 HD12 LEU 692 HD12 LEU 692 8.101 -7.074 -3.346 497 HD13 LEU 692 HD13 LEU 692 9.241 -5.751 -3.589 498 HD21 LEU 692 HD21 LEU 692 7.157 -7.132 -6.274 499 HD22 LEU 692 HD22 LEU 692 5.835 -5.976 -6.110 500 HD23 LEU 692 HD23 LEU 692 6.069 -7.227 -4.887 501 H TYR 693 HN TYR 693 6.203 -1.877 -2.652 502 HA TYR 693 HA TYR 693 3.899 -2.327 -1.059 503 HB2 TYR 693 HB2 TYR 693 6.020 -0.236 -1.122 504 HB3 TYR 693 HB1 TYR 693 4.517 0.147 -0.283 505 HD1 TYR 693 HD1 TYR 693 3.679 -2.031 1.174 506 HD2 TYR 693 HD2 TYR 693 7.707 -0.976 0.293 507 HE1 TYR 693 HE1 TYR 693 4.432 -3.267 3.158 508 HE2 TYR 693 HE2 TYR 693 8.469 -2.214 2.274 509 HH TYR 693 HH TYR 693 6.409 -4.325 4.026 510 H THR 694 HN THR 694 4.565 -0.103 -3.727 511 HA THR 694 HA THR 694 2.064 1.269 -3.438 512 HB THR 694 HB THR 694 2.564 2.015 -5.856 513 HG1 THR 694 HG1 THR 694 5.171 1.074 -5.238 514 HG21 THR 694 HG21 THR 694 2.974 3.406 -3.876 515 HG22 THR 694 HG22 THR 694 4.230 3.631 -5.092 516 HG23 THR 694 HG23 THR 694 4.551 2.644 -3.666 517 H GLN 695 HN GLN 695 3.236 -1.468 -5.327 518 HA GLN 695 HA GLN 695 0.862 -1.920 -6.801 519 HB2 GLN 695 HB2 GLN 695 3.044 -2.952 -7.342 520 HB3 GLN 695 HB1 GLN 695 2.967 -3.886 -5.858 521 HG2 GLN 695 HG2 GLN 695 2.371 -5.287 -7.701 522 HG3 GLN 695 HG1 GLN 695 0.942 -5.007 -6.708 523 HE21 GLN 695 HE21 GLN 695 2.233 -2.635 -8.937 524 HE22 GLN 695 HE22 GLN 695 0.919 -2.708 -10.061 525 H ALA 696 HN ALA 696 2.049 -3.052 -3.659 526 HA ALA 696 HA ALA 696 -0.138 -4.663 -2.992 527 HB1 ALA 696 HB1 ALA 696 2.023 -4.691 -1.798 528 HB2 ALA 696 HB2 ALA 696 0.642 -4.528 -0.713 529 HB3 ALA 696 HB3 ALA 696 1.629 -3.120 -1.101 530 H ALA 697 HN ALA 697 0.434 -1.158 -2.532 531 HA ALA 697 HA ALA 697 -1.892 -0.731 -0.984 532 HB1 ALA 697 HB1 ALA 697 -1.523 1.610 -1.389 533 HB2 ALA 697 HB2 ALA 697 -0.470 1.250 -2.756 534 HB3 ALA 697 HB3 ALA 697 0.042 0.842 -1.119 535 H GLU 698 HN GLU 698 -1.188 -0.734 -4.429 536 HA GLU 698 HA GLU 698 -3.670 0.220 -5.325 537 HB2 GLU 698 HB2 GLU 698 -1.716 0.001 -6.793 538 HB3 GLU 698 HB1 GLU 698 -1.783 -1.748 -6.639 539 HG2 GLU 698 HG2 GLU 698 -3.995 -1.732 -7.720 540 HG3 GLU 698 HG1 GLU 698 -3.857 0.014 -7.928 541 H ALA 699 HN ALA 699 -2.509 -3.097 -4.715 542 HA ALA 699 HA ALA 699 -4.969 -4.354 -5.350 543 HB1 ALA 699 HB1 ALA 699 -4.007 -6.316 -4.220 544 HB2 ALA 699 HB2 ALA 699 -2.687 -5.310 -3.626 545 HB3 ALA 699 HB3 ALA 699 -2.878 -5.582 -5.357 546 H ALA 700 HN ALA 700 -3.737 -2.807 -2.505 547 HA ALA 700 HA ALA 700 -5.637 -3.888 -0.661 548 HB1 ALA 700 HB1 ALA 700 -4.083 -1.317 -0.429 549 HB2 ALA 700 HB2 ALA 700 -3.478 -2.904 0.037 550 HB3 ALA 700 HB3 ALA 700 -4.860 -2.206 0.881 551 H MET 701 HN MET 701 -5.407 -0.779 -2.394 552 HA MET 701 HA MET 701 -7.908 0.174 -1.443 553 HB2 MET 701 HB2 MET 701 -7.668 1.970 -3.013 554 HB3 MET 701 HB1 MET 701 -6.076 1.628 -2.353 555 HG2 MET 701 HG2 MET 701 -5.506 0.384 -4.375 556 HG3 MET 701 HG1 MET 701 -7.101 0.736 -5.039 557 HE1 MET 701 HE1 MET 701 -4.520 1.382 -6.704 558 HE2 MET 701 HE2 MET 701 -4.882 3.009 -7.278 559 HE3 MET 701 HE3 MET 701 -6.151 1.785 -7.234 560 H GLU 702 HN GLU 702 -6.917 -1.821 -4.120 561 HA GLU 702 HA GLU 702 -9.329 -1.796 -5.593 562 HB2 GLU 702 HB2 GLU 702 -7.204 -2.666 -6.474 563 HB3 GLU 702 HB1 GLU 702 -7.237 -3.963 -5.291 564 HG2 GLU 702 HG2 GLU 702 -7.907 -4.807 -7.432 565 HG3 GLU 702 HG1 GLU 702 -9.290 -4.830 -6.340 566 H ALA 703 HN ALA 703 -8.185 -3.695 -2.865 567 HA ALA 703 HA ALA 703 -10.565 -5.371 -2.878 568 HB1 ALA 703 HB1 ALA 703 -9.457 -6.635 -1.116 569 HB2 ALA 703 HB2 ALA 703 -8.163 -5.437 -1.056 570 HB3 ALA 703 HB3 ALA 703 -8.392 -6.418 -2.505 571 H MET 704 HN MET 704 -10.380 -2.403 -2.051 572 HA MET 704 HA MET 704 -11.531 -1.023 -0.672 573 HB2 MET 704 HB2 MET 704 -13.394 -2.611 -1.182 574 HB3 MET 704 HB1 MET 704 -12.961 -3.530 0.251 575 HG2 MET 704 HG2 MET 704 -13.449 -1.560 1.639 576 HG3 MET 704 HG1 MET 704 -13.926 -0.678 0.190 577 HE1 MET 704 HE1 MET 704 -17.069 -2.701 -0.978 578 HE2 MET 704 HE2 MET 704 -15.396 -2.955 -1.475 579 HE3 MET 704 HE3 MET 704 -16.024 -1.317 -1.302 580 H LYS 705 HN LYS 705 -9.069 -1.657 0.215 581 HA LYS 705 HA LYS 705 -9.484 -1.765 3.130 582 HB2 LYS 705 HB2 LYS 705 -7.064 -2.739 1.597 583 HB3 LYS 705 HB1 LYS 705 -7.238 -2.735 3.345 584 HG2 LYS 705 HG2 LYS 705 -8.916 -4.327 1.422 585 HG3 LYS 705 HG1 LYS 705 -7.591 -4.954 2.407 586 HD2 LYS 705 HD2 LYS 705 -8.839 -4.256 4.437 587 HD3 LYS 705 HD1 LYS 705 -10.186 -3.773 3.402 588 HE2 LYS 705 HE2 LYS 705 -10.271 -6.108 2.545 589 HE3 LYS 705 HE1 LYS 705 -9.041 -6.541 3.733 590 HZ1 LYS 705 HZ1 LYS 705 -11.130 -7.092 4.653 591 HZ2 LYS 705 HZ2 LYS 705 -11.800 -5.591 4.248 592 HZ3 LYS 705 HZ3 LYS 705 -10.624 -5.692 5.458 593 H GLY 706 HN GLY 706 -9.701 0.495 3.199 594 HA2 GLY 706 HA2 GLY 706 -8.007 2.334 1.919 595 HA3 GLY 706 HA1 GLY 706 -9.006 2.676 3.321 596 H ARG 707 HN ARG 707 -7.912 1.221 5.321 597 HA ARG 707 HA ARG 707 -5.693 2.796 6.038 598 HB2 ARG 707 HB2 ARG 707 -7.139 1.802 7.725 599 HB3 ARG 707 HB1 ARG 707 -6.641 0.189 7.232 600 HG2 ARG 707 HG2 ARG 707 -4.322 0.749 7.905 601 HG3 ARG 707 HG1 ARG 707 -4.914 2.299 8.506 602 HD2 ARG 707 HD2 ARG 707 -4.681 0.625 10.290 603 HD3 ARG 707 HD1 ARG 707 -6.342 1.178 10.096 604 HE ARG 707 HE ARG 707 -6.879 -0.910 9.057 605 HH11 ARG 707 HH11 ARG 707 -3.663 -0.787 10.464 606 HH12 ARG 707 HH12 ARG 707 -3.532 -2.509 10.607 607 HH21 ARG 707 HH21 ARG 707 -6.704 -3.147 9.243 608 HH22 ARG 707 HH22 ARG 707 -5.270 -3.865 9.908 609 H LEU 708 HN LEU 708 -5.907 -0.472 4.724 610 HA LEU 708 HA LEU 708 -3.181 -1.139 5.039 611 HB2 LEU 708 HB2 LEU 708 -5.352 -2.137 3.229 612 HB3 LEU 708 HB1 LEU 708 -3.708 -2.694 3.025 613 HG LEU 708 HG LEU 708 -4.989 -4.305 4.304 614 HD11 LEU 708 HD11 LEU 708 -2.615 -4.036 4.809 615 HD12 LEU 708 HD12 LEU 708 -3.540 -4.548 6.219 616 HD13 LEU 708 HD13 LEU 708 -3.018 -2.871 6.069 617 HD21 LEU 708 HD21 LEU 708 -6.669 -2.855 5.274 618 HD22 LEU 708 HD22 LEU 708 -5.447 -2.072 6.276 619 HD23 LEU 708 HD23 LEU 708 -5.850 -3.769 6.540 620 H ALA 709 HN ALA 709 -4.989 0.168 2.284 621 HA ALA 709 HA ALA 709 -2.850 0.456 0.516 622 HB1 ALA 709 HB1 ALA 709 -5.184 0.663 -0.169 623 HB2 ALA 709 HB2 ALA 709 -4.242 2.066 -0.671 624 HB3 ALA 709 HB3 ALA 709 -5.315 2.178 0.724 625 H ASN 710 HN ASN 710 -4.209 2.798 2.819 626 HA ASN 710 HA ASN 710 -2.465 4.912 2.324 627 HB2 ASN 710 HB2 ASN 710 -4.517 5.071 3.687 628 HB3 ASN 710 HB1 ASN 710 -3.758 4.107 4.942 629 HD21 ASN 710 HD21 ASN 710 -4.869 6.838 4.922 630 HD22 ASN 710 HD22 ASN 710 -3.605 7.855 5.550 631 H GLN 711 HN GLN 711 -2.209 2.354 4.803 632 HA GLN 711 HA GLN 711 0.232 3.075 5.893 633 HB2 GLN 711 HB2 GLN 711 -1.168 1.381 6.902 634 HB3 GLN 711 HB1 GLN 711 -0.967 0.329 5.509 635 HG2 GLN 711 HG2 GLN 711 1.448 0.184 6.026 636 HG3 GLN 711 HG1 GLN 711 1.158 1.138 7.478 637 HE21 GLN 711 HE21 GLN 711 -1.130 -1.239 6.316 638 HE22 GLN 711 HE22 GLN 711 -0.894 -2.377 7.599 639 H TYR 712 HN TYR 712 -0.319 0.657 3.335 640 HA TYR 712 HA TYR 712 2.398 0.185 2.869 641 HB2 TYR 712 HB2 TYR 712 0.054 -0.241 1.015 642 HB3 TYR 712 HB1 TYR 712 1.687 -0.862 0.727 643 HD1 TYR 712 HD1 TYR 712 2.120 -1.391 3.815 644 HD2 TYR 712 HD2 TYR 712 -0.887 -2.485 1.023 645 HE1 TYR 712 HE1 TYR 712 1.596 -3.364 5.170 646 HE2 TYR 712 HE2 TYR 712 -1.422 -4.471 2.372 647 HH TYR 712 HH TYR 712 -0.248 -5.929 4.059 648 H TYR 713 HN TYR 713 0.293 2.675 1.501 649 HA TYR 713 HA TYR 713 2.255 3.499 -0.426 650 HB2 TYR 713 HB2 TYR 713 -0.106 4.111 -0.749 651 HB3 TYR 713 HB1 TYR 713 -0.073 5.064 0.733 652 HD1 TYR 713 HD1 TYR 713 0.520 7.328 0.650 653 HD2 TYR 713 HD2 TYR 713 1.532 4.790 -2.609 654 HE1 TYR 713 HE1 TYR 713 1.303 9.282 -0.620 655 HE2 TYR 713 HE2 TYR 713 2.318 6.738 -3.892 656 HH TYR 713 HH TYR 713 2.035 9.136 -3.967 657 H GLN 714 HN GLN 714 1.439 4.394 2.878 658 HA GLN 714 HA GLN 714 3.276 6.534 3.157 659 HB2 GLN 714 HB2 GLN 714 1.368 6.010 4.702 660 HB3 GLN 714 HB1 GLN 714 2.289 4.637 5.295 661 HG2 GLN 714 HG2 GLN 714 4.089 6.248 5.944 662 HG3 GLN 714 HG1 GLN 714 2.963 7.550 5.554 663 HE21 GLN 714 HE21 GLN 714 1.052 7.753 6.788 664 HE22 GLN 714 HE22 GLN 714 0.950 7.098 8.397 665 H LYS 715 HN LYS 715 3.571 3.111 3.144 666 HA LYS 715 HA LYS 715 6.139 3.103 4.492 667 HB2 LYS 715 HB2 LYS 715 4.644 1.229 4.938 668 HB3 LYS 715 HB1 LYS 715 4.523 0.883 3.215 669 HG2 LYS 715 HG2 LYS 715 5.979 -0.715 4.276 670 HG3 LYS 715 HG1 LYS 715 6.905 0.302 3.172 671 HD2 LYS 715 HD2 LYS 715 7.727 1.623 5.041 672 HD3 LYS 715 HD1 LYS 715 6.746 0.671 6.161 673 HE2 LYS 715 HE2 LYS 715 8.951 -0.433 4.424 674 HE3 LYS 715 HE1 LYS 715 9.128 -0.013 6.128 675 HZ1 LYS 715 HZ1 LYS 715 7.344 -2.110 4.999 676 HZ2 LYS 715 HZ2 LYS 715 7.389 -1.660 6.631 677 HZ3 LYS 715 HZ3 LYS 715 8.746 -2.353 5.909 678 H ALA 716 HN ALA 716 4.764 2.840 1.261 679 HA ALA 716 HA ALA 716 7.175 2.405 -0.134 680 HB1 ALA 716 HB1 ALA 716 5.993 3.310 -2.076 681 HB2 ALA 716 HB2 ALA 716 4.729 3.940 -1.022 682 HB3 ALA 716 HB3 ALA 716 4.957 2.200 -1.178 683 H GLU 717 HN GLU 717 5.430 5.393 0.686 684 HA GLU 717 HA GLU 717 7.219 7.297 -0.127 685 HB2 GLU 717 HB2 GLU 717 5.014 7.793 0.833 686 HB3 GLU 717 HB1 GLU 717 5.566 7.254 2.410 687 HG2 GLU 717 HG2 GLU 717 5.557 9.626 2.402 688 HG3 GLU 717 HG1 GLU 717 7.237 9.096 2.379 689 H GLU 718 HN GLU 718 7.149 5.680 3.064 690 HA GLU 718 HA GLU 718 9.503 6.822 4.062 691 HB2 GLU 718 HB2 GLU 718 7.940 5.670 5.509 692 HB3 GLU 718 HB1 GLU 718 8.239 4.152 4.676 693 HG2 GLU 718 HG2 GLU 718 10.558 4.184 5.461 694 HG3 GLU 718 HG1 GLU 718 10.240 5.695 6.310 695 H ALA 719 HN ALA 719 9.025 3.828 2.214 696 HA ALA 719 HA ALA 719 11.607 2.806 2.384 697 HB1 ALA 719 HB1 ALA 719 9.724 1.542 1.470 698 HB2 ALA 719 HB2 ALA 719 11.094 1.547 0.357 699 HB3 ALA 719 HB3 ALA 719 9.705 2.591 0.052 700 H TRP 720 HN TRP 720 10.226 4.966 -0.081 701 HA TRP 720 HA TRP 720 12.758 5.241 -1.411 702 HB2 TRP 720 HB2 TRP 720 10.155 6.738 -1.754 703 HB3 TRP 720 HB1 TRP 720 11.585 7.016 -2.745 704 HD1 TRP 720 HD1 TRP 720 12.315 3.804 -2.964 705 HE1 TRP 720 HE1 TRP 720 10.938 2.398 -4.616 706 HE3 TRP 720 HE3 TRP 720 8.216 6.842 -3.416 707 HZ2 TRP 720 HZ2 TRP 720 8.460 2.553 -5.950 708 HZ3 TRP 720 HZ3 TRP 720 6.391 6.138 -4.905 709 HH2 TRP 720 HH2 TRP 720 6.510 4.039 -6.147 710 H ALA 721 HN ALA 721 11.031 7.098 1.021 711 HA ALA 721 HA ALA 721 12.629 9.436 0.795 712 HB1 ALA 721 HB1 ALA 721 11.036 8.461 3.162 713 HB2 ALA 721 HB2 ALA 721 10.428 9.476 1.855 714 HB3 ALA 721 HB3 ALA 721 11.675 10.090 2.940 715 H GLN 722 HN GLN 722 12.820 6.564 2.849 716 HA GLN 722 HA GLN 722 15.104 7.686 4.259 717 HB2 GLN 722 HB2 GLN 722 13.310 6.512 5.503 718 HB3 GLN 722 HB1 GLN 722 13.700 5.036 4.633 719 HG2 GLN 722 HG2 GLN 722 15.979 5.127 5.606 720 HG3 GLN 722 HG1 GLN 722 15.470 6.517 6.561 721 HE21 GLN 722 HE21 GLN 722 13.332 3.848 5.857 722 HE22 GLN 722 HE22 GLN 722 13.283 3.196 7.460 723 H MET 723 HN MET 723 14.347 4.675 2.534 724 HA MET 723 HA MET 723 15.578 3.177 1.386 725 HB2 MET 723 HB2 MET 723 17.385 5.565 1.011 726 HB3 MET 723 HB1 MET 723 17.666 4.014 0.232 727 HG2 MET 723 HG2 MET 723 15.554 4.179 -0.933 728 HG3 MET 723 HG1 MET 723 15.182 5.685 -0.096 729 HE1 MET 723 HE1 MET 723 17.976 7.192 -0.107 730 HE2 MET 723 HE2 MET 723 16.422 7.937 -0.479 731 HE3 MET 723 HE3 MET 723 17.789 8.159 -1.570 732 H GLU 724 HN GLU 724 18.004 5.096 3.147 733 HA GLU 724 HA GLU 724 19.570 2.757 3.702 734 HB2 GLU 724 HB2 GLU 724 20.990 4.405 4.988 735 HB3 GLU 724 HB1 GLU 724 20.782 4.746 3.277 736 HG2 GLU 724 HG2 GLU 724 19.134 6.444 3.782 737 HG3 GLU 724 HG1 GLU 724 19.239 6.062 5.500 738 H GLU 725 HN GLU 725 17.845 1.617 4.857 739 HA GLU 725 HA GLU 725 17.784 2.412 7.693 740 HB2 GLU 725 HB2 GLU 725 15.546 2.308 6.528 741 HB3 GLU 725 HB1 GLU 725 15.814 0.583 6.307 742 HG2 GLU 725 HG2 GLU 725 16.065 0.417 8.805 743 HG3 GLU 725 HG1 GLU 725 15.494 2.081 8.891 Start of MODEL 4 1 H1 GLY 623 HT1 GLY 623 -21.450 -12.377 16.355 2 H2 GLY 623 HT2 GLY 623 -20.749 -11.297 15.260 3 H3 GLY 623 HT3 GLY 623 -22.101 -10.829 16.157 4 HA2 GLY 623 HA1 GLY 623 -20.834 -10.967 18.205 5 HA3 GLY 623 HA2 GLY 623 -19.425 -11.447 17.269 6 H SER 624 HN SER 624 -19.748 -9.126 19.005 7 HA SER 624 HA SER 624 -20.081 -6.809 17.365 8 HB2 SER 624 HB2 SER 624 -18.780 -7.059 20.086 9 HB3 SER 624 HB1 SER 624 -19.349 -5.569 19.334 10 HG SER 624 HG SER 624 -21.466 -6.767 19.264 11 H HIS 625 HN HIS 625 -18.690 -6.757 15.673 12 HA HIS 625 HA HIS 625 -15.831 -6.524 16.340 13 HB2 HIS 625 HB2 HIS 625 -15.217 -7.704 14.293 14 HB3 HIS 625 HB1 HIS 625 -16.266 -8.733 15.261 15 HD1 HIS 625 HD1 HIS 625 -16.178 -6.777 12.054 16 HD2 HIS 625 HD2 HIS 625 -18.732 -9.348 14.100 17 HE1 HIS 625 HE1 HIS 625 -17.968 -7.409 10.407 18 HE2 HIS 625 HE2 HIS 625 -19.555 -8.888 11.693 19 H MET 626 HN MET 626 -14.671 -5.037 15.068 20 HA MET 626 HA MET 626 -16.146 -2.852 14.054 21 HB2 MET 626 HB2 MET 626 -13.240 -3.602 13.730 22 HB3 MET 626 HB1 MET 626 -13.919 -2.087 13.157 23 HG2 MET 626 HG2 MET 626 -14.256 -2.852 16.014 24 HG3 MET 626 HG1 MET 626 -12.705 -2.234 15.460 25 HE1 MET 626 HE1 MET 626 -16.657 0.117 15.724 26 HE2 MET 626 HE2 MET 626 -16.427 -1.590 16.106 27 HE3 MET 626 HE3 MET 626 -16.491 -1.059 14.425 28 H SER 627 HN SER 627 -16.486 -2.161 11.957 29 HA SER 627 HA SER 627 -15.865 -4.047 9.803 30 HB2 SER 627 HB2 SER 627 -18.277 -3.314 8.960 31 HB3 SER 627 HB1 SER 627 -18.083 -4.657 10.087 32 HG SER 627 HG SER 627 -19.038 -2.049 10.543 33 HA PRO 628 HA PRO 628 -14.673 -0.365 7.684 34 HB2 PRO 628 HB2 PRO 628 -15.490 -1.401 5.098 35 HB3 PRO 628 HB1 PRO 628 -13.862 -1.213 5.749 36 HG2 PRO 628 HG2 PRO 628 -15.031 -3.628 5.315 37 HG3 PRO 628 HG1 PRO 628 -13.807 -3.350 6.566 38 HD2 PRO 628 HD2 PRO 628 -16.784 -3.535 6.832 39 HD3 PRO 628 HD1 PRO 628 -15.514 -4.183 7.890 40 H ASP 629 HN ASP 629 -17.133 0.061 8.767 41 HA ASP 629 HA ASP 629 -19.100 0.863 6.886 42 HB2 ASP 629 HB2 ASP 629 -18.615 1.793 9.726 43 HB3 ASP 629 HB1 ASP 629 -20.026 2.224 8.768 44 H ARG 630 HN ARG 630 -16.341 2.428 8.339 45 HA ARG 630 HA ARG 630 -16.946 4.967 7.057 46 HB2 ARG 630 HB2 ARG 630 -14.585 4.140 8.756 47 HB3 ARG 630 HB1 ARG 630 -14.936 5.775 8.216 48 HG2 ARG 630 HG2 ARG 630 -16.965 5.807 9.539 49 HG3 ARG 630 HG1 ARG 630 -16.686 4.137 10.039 50 HD2 ARG 630 HD2 ARG 630 -14.541 4.854 11.048 51 HD3 ARG 630 HD1 ARG 630 -14.945 6.519 10.640 52 HE ARG 630 HE ARG 630 -17.053 5.915 12.084 53 HH11 ARG 630 HH11 ARG 630 -13.694 5.129 12.648 54 HH12 ARG 630 HH12 ARG 630 -13.867 5.032 14.371 55 HH21 ARG 630 HH21 ARG 630 -17.282 5.826 14.373 56 HH22 ARG 630 HH22 ARG 630 -15.906 5.428 15.352 57 H CYS 631 HN CYS 631 -16.599 2.945 5.208 58 HA CYS 631 HA CYS 631 -13.875 2.881 4.278 59 HB2 CYS 631 HB2 CYS 631 -14.842 1.602 2.367 60 HB3 CYS 631 HB1 CYS 631 -15.255 0.925 3.938 61 HG CYS 631 HG CYS 631 -17.325 2.789 1.947 62 H GLN 632 HN GLN 632 -14.519 5.476 4.473 63 HA GLN 632 HA GLN 632 -14.754 6.321 1.678 64 HB2 GLN 632 HB2 GLN 632 -16.022 8.321 2.416 65 HB3 GLN 632 HB1 GLN 632 -16.884 6.810 2.656 66 HG2 GLN 632 HG2 GLN 632 -16.476 6.857 4.996 67 HG3 GLN 632 HG1 GLN 632 -15.355 8.208 4.831 68 HE21 GLN 632 HE21 GLN 632 -18.331 8.038 3.031 69 HE22 GLN 632 HE22 GLN 632 -19.136 9.318 3.870 70 H ASP 633 HN ASP 633 -13.425 6.928 4.873 71 HA ASP 633 HA ASP 633 -12.188 9.385 4.339 72 HB2 ASP 633 HB2 ASP 633 -11.457 7.212 6.301 73 HB3 ASP 633 HB1 ASP 633 -10.656 8.775 6.243 74 H TRP 634 HN TRP 634 -11.276 6.135 3.510 75 HA TRP 634 HA TRP 634 -8.521 6.702 3.168 76 HB2 TRP 634 HB2 TRP 634 -8.316 4.536 2.117 77 HB3 TRP 634 HB1 TRP 634 -9.307 4.411 3.559 78 HD1 TRP 634 HD1 TRP 634 -11.832 3.647 3.246 79 HE1 TRP 634 HE1 TRP 634 -13.089 2.571 1.271 80 HE3 TRP 634 HE3 TRP 634 -8.458 4.584 -0.483 81 HZ2 TRP 634 HZ2 TRP 634 -12.700 2.168 -1.491 82 HZ3 TRP 634 HZ3 TRP 634 -8.978 3.818 -2.762 83 HH2 TRP 634 HH2 TRP 634 -11.054 2.635 -3.254 84 H LEU 635 HN LEU 635 -11.310 7.094 1.130 85 HA LEU 635 HA LEU 635 -9.864 7.410 -1.308 86 HB2 LEU 635 HB2 LEU 635 -12.578 8.448 -0.487 87 HB3 LEU 635 HB1 LEU 635 -11.908 8.623 -2.096 88 HG LEU 635 HG LEU 635 -11.735 5.992 -1.950 89 HD11 LEU 635 HD11 LEU 635 -13.621 5.040 -0.732 90 HD12 LEU 635 HD12 LEU 635 -13.991 6.631 -0.068 91 HD13 LEU 635 HD13 LEU 635 -12.478 5.828 0.355 92 HD21 LEU 635 HD21 LEU 635 -13.914 5.857 -3.037 93 HD22 LEU 635 HD22 LEU 635 -12.998 7.254 -3.607 94 HD23 LEU 635 HD23 LEU 635 -14.310 7.472 -2.448 95 H GLU 636 HN GLU 636 -11.008 9.565 1.213 96 HA GLU 636 HA GLU 636 -10.144 11.983 0.041 97 HB2 GLU 636 HB2 GLU 636 -10.503 11.284 2.960 98 HB3 GLU 636 HB1 GLU 636 -10.395 12.913 2.304 99 HG2 GLU 636 HG2 GLU 636 -12.562 10.912 1.696 100 HG3 GLU 636 HG1 GLU 636 -12.694 12.265 2.816 101 H ALA 637 HN ALA 637 -8.686 9.787 2.394 102 HA ALA 637 HA ALA 637 -6.275 11.136 2.815 103 HB1 ALA 637 HB1 ALA 637 -7.072 9.253 4.186 104 HB2 ALA 637 HB2 ALA 637 -5.420 9.007 3.617 105 HB3 ALA 637 HB3 ALA 637 -6.756 8.158 2.840 106 H LEU 638 HN LEU 638 -7.120 8.612 0.479 107 HA LEU 638 HA LEU 638 -4.616 8.437 -0.782 108 HB2 LEU 638 HB2 LEU 638 -6.507 6.804 -0.969 109 HB3 LEU 638 HB1 LEU 638 -7.339 7.956 -1.993 110 HG LEU 638 HG LEU 638 -5.397 7.806 -3.590 111 HD11 LEU 638 HD11 LEU 638 -3.994 5.778 -3.393 112 HD12 LEU 638 HD12 LEU 638 -4.659 5.513 -1.781 113 HD13 LEU 638 HD13 LEU 638 -3.701 6.955 -2.115 114 HD21 LEU 638 HD21 LEU 638 -6.891 5.246 -3.037 115 HD22 LEU 638 HD22 LEU 638 -6.158 5.723 -4.568 116 HD23 LEU 638 HD23 LEU 638 -7.529 6.627 -3.927 117 H HIS 639 HN HIS 639 -7.316 10.604 -1.198 118 HA HIS 639 HA HIS 639 -6.677 11.617 -3.747 119 HB2 HIS 639 HB2 HIS 639 -8.868 11.888 -2.578 120 HB3 HIS 639 HB1 HIS 639 -8.108 13.050 -1.500 121 HD1 HIS 639 HD1 HIS 639 -9.722 12.736 -4.780 122 HD2 HIS 639 HD2 HIS 639 -7.322 15.505 -2.812 123 HE1 HIS 639 HE1 HIS 639 -9.961 14.877 -6.073 124 HE2 HIS 639 HE2 HIS 639 -8.498 16.540 -4.871 125 H TRP 640 HN TRP 640 -5.822 12.752 -0.490 126 HA TRP 640 HA TRP 640 -4.314 14.972 -1.566 127 HB2 TRP 640 HB2 TRP 640 -4.643 13.964 1.266 128 HB3 TRP 640 HB1 TRP 640 -3.730 15.403 0.832 129 HD1 TRP 640 HD1 TRP 640 -7.276 14.123 1.267 130 HE1 TRP 640 HE1 TRP 640 -8.914 16.102 1.160 131 HE3 TRP 640 HE3 TRP 640 -4.034 17.793 -0.236 132 HZ2 TRP 640 HZ2 TRP 640 -8.850 18.845 0.525 133 HZ3 TRP 640 HZ3 TRP 640 -4.914 20.070 -0.569 134 HH2 TRP 640 HH2 TRP 640 -7.270 20.579 -0.196 135 H TYR 641 HN TYR 641 -3.693 11.707 -0.826 136 HA TYR 641 HA TYR 641 -1.817 10.452 -0.535 137 HB2 TYR 641 HB2 TYR 641 -0.881 12.552 -2.482 138 HB3 TYR 641 HB1 TYR 641 0.188 11.263 -1.945 139 HD1 TYR 641 HD1 TYR 641 -0.573 8.846 -2.338 140 HD2 TYR 641 HD2 TYR 641 -2.397 12.199 -4.218 141 HE1 TYR 641 HE1 TYR 641 -1.504 7.365 -4.069 142 HE2 TYR 641 HE2 TYR 641 -3.330 10.730 -5.949 143 HH TYR 641 HH TYR 641 -3.053 8.618 -6.922 144 H ASN 642 HN ASN 642 -2.014 11.439 1.733 145 HA ASN 642 HA ASN 642 0.150 13.185 2.511 146 HB2 ASN 642 HB2 ASN 642 -1.781 11.568 4.194 147 HB3 ASN 642 HB1 ASN 642 -0.634 12.741 4.826 148 HD21 ASN 642 HD21 ASN 642 -1.013 14.624 2.639 149 HD22 ASN 642 HD22 ASN 642 -2.565 15.347 2.892 150 H THR 643 HN THR 643 1.415 11.367 1.217 151 HA THR 643 HA THR 643 1.934 8.903 2.482 152 HB THR 643 HB THR 643 3.931 8.879 0.894 153 HG1 THR 643 HG1 THR 643 4.341 10.619 -0.241 154 HG21 THR 643 HG21 THR 643 1.174 9.349 -0.245 155 HG22 THR 643 HG22 THR 643 1.808 7.812 0.341 156 HG23 THR 643 HG23 THR 643 2.512 8.568 -1.087 157 H ALA 644 HN ALA 644 3.299 8.332 4.013 158 HA ALA 644 HA ALA 644 5.005 8.260 5.496 159 HB1 ALA 644 HB1 ALA 644 6.995 9.605 5.207 160 HB2 ALA 644 HB2 ALA 644 6.162 10.622 4.032 161 HB3 ALA 644 HB3 ALA 644 6.476 8.927 3.664 162 H LEU 645 HN LEU 645 3.359 11.258 4.952 163 HA LEU 645 HA LEU 645 4.120 12.356 7.518 164 HB2 LEU 645 HB2 LEU 645 2.185 13.363 5.435 165 HB3 LEU 645 HB1 LEU 645 2.669 14.245 6.870 166 HG LEU 645 HG LEU 645 4.526 13.418 4.637 167 HD11 LEU 645 HD11 LEU 645 2.960 15.123 3.906 168 HD12 LEU 645 HD12 LEU 645 4.576 15.802 4.087 169 HD13 LEU 645 HD13 LEU 645 3.349 16.107 5.316 170 HD21 LEU 645 HD21 LEU 645 6.116 14.938 5.754 171 HD22 LEU 645 HD22 LEU 645 5.692 13.550 6.752 172 HD23 LEU 645 HD23 LEU 645 4.974 15.125 7.083 173 H GLU 646 HN GLU 646 1.383 10.725 6.070 174 HA GLU 646 HA GLU 646 -0.427 11.263 8.198 175 HB2 GLU 646 HB2 GLU 646 -1.180 10.641 5.931 176 HB3 GLU 646 HB1 GLU 646 -0.480 9.044 6.142 177 HG2 GLU 646 HG2 GLU 646 -2.916 9.076 6.458 178 HG3 GLU 646 HG1 GLU 646 -2.049 8.535 7.895 179 H MET 647 HN MET 647 -1.171 9.821 9.788 180 HA MET 647 HA MET 647 0.853 7.845 10.604 181 HB2 MET 647 HB2 MET 647 0.663 9.801 12.103 182 HB3 MET 647 HB1 MET 647 -1.039 9.438 12.341 183 HG2 MET 647 HG2 MET 647 0.364 8.682 14.205 184 HG3 MET 647 HG1 MET 647 -0.497 7.359 13.421 185 HE1 MET 647 HE1 MET 647 2.936 9.250 13.668 186 HE2 MET 647 HE2 MET 647 2.675 9.159 11.927 187 HE3 MET 647 HE3 MET 647 3.975 8.230 12.675 188 H THR 648 HN THR 648 0.002 6.017 9.715 189 HA THR 648 HA THR 648 -2.810 5.413 9.994 190 HB THR 648 HB THR 648 -2.017 3.194 8.913 191 HG1 THR 648 HG1 THR 648 0.237 3.552 9.347 192 HG21 THR 648 HG21 THR 648 -1.974 4.245 6.686 193 HG22 THR 648 HG22 THR 648 -1.760 5.822 7.446 194 HG23 THR 648 HG23 THR 648 -3.249 4.913 7.703 195 H ASP 649 HN ASP 649 -2.600 5.536 12.381 196 HA ASP 649 HA ASP 649 -1.343 3.206 13.625 197 HB2 ASP 649 HB2 ASP 649 -1.084 5.534 14.588 198 HB3 ASP 649 HB1 ASP 649 -2.798 5.485 14.988 199 H CYS 650 HN CYS 650 -2.965 1.911 12.392 200 HA CYS 650 HA CYS 650 -5.420 1.582 13.965 201 HB2 CYS 650 HB2 CYS 650 -5.322 1.487 10.943 202 HB3 CYS 650 HB1 CYS 650 -6.751 1.334 11.956 203 HG CYS 650 HG CYS 650 -5.368 4.180 12.713 204 H ASP 651 HN ASP 651 -5.807 -0.490 14.489 205 HA ASP 651 HA ASP 651 -4.084 -2.581 13.481 206 HB2 ASP 651 HB2 ASP 651 -5.045 -3.985 15.144 207 HB3 ASP 651 HB1 ASP 651 -4.939 -2.399 15.894 208 H GLU 652 HN GLU 652 -4.813 -4.469 12.397 209 HA GLU 652 HA GLU 652 -7.300 -4.088 10.873 210 HB2 GLU 652 HB2 GLU 652 -4.856 -5.755 10.239 211 HB3 GLU 652 HB1 GLU 652 -6.303 -5.673 9.245 212 HG2 GLU 652 HG2 GLU 652 -4.461 -3.374 9.867 213 HG3 GLU 652 HG1 GLU 652 -4.515 -4.282 8.358 214 H GLY 653 HN GLY 653 -6.822 -5.291 13.614 215 HA2 GLY 653 HA2 GLY 653 -7.468 -8.103 13.162 216 HA3 GLY 653 HA1 GLY 653 -7.067 -7.362 14.704 217 H GLY 654 HN GLY 654 -8.788 -5.413 15.088 218 HA2 GLY 654 HA2 GLY 654 -11.134 -6.719 15.887 219 HA3 GLY 654 HA1 GLY 654 -10.923 -4.977 15.812 220 H GLU 655 HN GLU 655 -10.516 -4.738 13.039 221 HA GLU 655 HA GLU 655 -13.219 -4.833 12.126 222 HB2 GLU 655 HB2 GLU 655 -11.599 -3.003 11.567 223 HB3 GLU 655 HB1 GLU 655 -10.728 -4.148 10.557 224 HG2 GLU 655 HG2 GLU 655 -12.773 -4.447 9.201 225 HG3 GLU 655 HG1 GLU 655 -13.558 -3.203 10.175 226 H TYR 656 HN TYR 656 -13.671 -7.043 12.154 227 HA TYR 656 HA TYR 656 -12.222 -8.845 10.435 228 HB2 TYR 656 HB2 TYR 656 -13.559 -9.416 12.599 229 HB3 TYR 656 HB1 TYR 656 -14.965 -9.399 11.542 230 HD1 TYR 656 HD1 TYR 656 -12.163 -11.284 12.718 231 HD2 TYR 656 HD2 TYR 656 -14.979 -10.995 9.547 232 HE1 TYR 656 HE1 TYR 656 -11.670 -13.605 12.081 233 HE2 TYR 656 HE2 TYR 656 -14.496 -13.321 8.899 234 HH TYR 656 HH TYR 656 -12.768 -15.460 10.879 235 H ASP 657 HN ASP 657 -12.357 -7.660 8.499 236 HA ASP 657 HA ASP 657 -14.921 -7.164 7.270 237 HB2 ASP 657 HB2 ASP 657 -13.153 -5.548 6.915 238 HB3 ASP 657 HB1 ASP 657 -12.078 -6.797 6.302 239 H GLY 658 HN GLY 658 -15.628 -8.107 5.302 240 HA2 GLY 658 HA2 GLY 658 -14.924 -10.902 5.030 241 HA3 GLY 658 HA1 GLY 658 -16.178 -10.049 4.140 242 H MET 659 HN MET 659 -12.726 -9.457 4.493 243 HA MET 659 HA MET 659 -12.401 -8.863 1.733 244 HB2 MET 659 HB2 MET 659 -9.921 -8.827 2.389 245 HB3 MET 659 HB1 MET 659 -10.987 -7.648 3.136 246 HG2 MET 659 HG2 MET 659 -9.623 -8.409 4.868 247 HG3 MET 659 HG1 MET 659 -11.149 -9.256 5.095 248 HE1 MET 659 HE1 MET 659 -8.051 -9.883 2.675 249 HE2 MET 659 HE2 MET 659 -7.194 -11.093 3.630 250 HE3 MET 659 HE3 MET 659 -7.403 -9.457 4.259 251 H GLN 660 HN GLN 660 -10.682 -9.891 0.418 252 HA GLN 660 HA GLN 660 -11.369 -12.528 -0.178 253 HB2 GLN 660 HB2 GLN 660 -8.825 -11.055 -0.906 254 HB3 GLN 660 HB1 GLN 660 -9.459 -12.479 -1.720 255 HG2 GLN 660 HG2 GLN 660 -11.387 -11.246 -2.473 256 HG3 GLN 660 HG1 GLN 660 -10.875 -9.830 -1.560 257 HE21 GLN 660 HE21 GLN 660 -8.681 -11.890 -3.374 258 HE22 GLN 660 HE22 GLN 660 -8.298 -10.718 -4.589 259 H ASP 661 HN ASP 661 -10.733 -14.439 0.606 260 HA ASP 661 HA ASP 661 -9.298 -14.518 3.035 261 HB2 ASP 661 HB2 ASP 661 -9.684 -16.866 3.060 262 HB3 ASP 661 HB1 ASP 661 -11.108 -16.139 2.330 263 H GLU 662 HN GLU 662 -8.324 -14.853 -0.252 264 HA GLU 662 HA GLU 662 -5.563 -15.251 0.690 265 HB2 GLU 662 HB2 GLU 662 -6.867 -15.873 -1.955 266 HB3 GLU 662 HB1 GLU 662 -5.122 -15.745 -1.787 267 HG2 GLU 662 HG2 GLU 662 -6.852 -17.653 -0.231 268 HG3 GLU 662 HG1 GLU 662 -5.962 -18.062 -1.697 269 HA PRO 663 HA PRO 663 -5.783 -10.887 -0.691 270 HB2 PRO 663 HB2 PRO 663 -4.288 -9.821 1.262 271 HB3 PRO 663 HB1 PRO 663 -5.985 -10.251 1.527 272 HG2 PRO 663 HG2 PRO 663 -3.507 -11.741 2.319 273 HG3 PRO 663 HG1 PRO 663 -5.006 -11.482 3.240 274 HD2 PRO 663 HD2 PRO 663 -4.416 -13.791 1.841 275 HD3 PRO 663 HD1 PRO 663 -6.067 -13.249 2.236 276 H ARG 664 HN ARG 664 -4.468 -10.493 -2.402 277 HA ARG 664 HA ARG 664 -1.789 -11.520 -2.421 278 HB2 ARG 664 HB2 ARG 664 -1.597 -10.646 -4.661 279 HB3 ARG 664 HB1 ARG 664 -3.134 -11.473 -4.481 280 HG2 ARG 664 HG2 ARG 664 -4.261 -9.311 -4.254 281 HG3 ARG 664 HG1 ARG 664 -2.712 -8.490 -4.456 282 HD2 ARG 664 HD2 ARG 664 -2.472 -9.589 -6.659 283 HD3 ARG 664 HD1 ARG 664 -4.079 -10.279 -6.463 284 HE ARG 664 HE ARG 664 -4.765 -7.799 -6.279 285 HH11 ARG 664 HH11 ARG 664 -2.241 -9.094 -8.333 286 HH12 ARG 664 HH12 ARG 664 -2.374 -7.828 -9.511 287 HH21 ARG 664 HH21 ARG 664 -4.947 -6.133 -7.834 288 HH22 ARG 664 HH22 ARG 664 -3.910 -6.138 -9.226 289 H TYR 665 HN TYR 665 -3.267 -8.482 -1.657 290 HA TYR 665 HA TYR 665 -1.023 -6.840 -2.073 291 HB2 TYR 665 HB2 TYR 665 -2.206 -5.356 -0.291 292 HB3 TYR 665 HB1 TYR 665 -2.951 -5.594 -1.865 293 HD1 TYR 665 HD1 TYR 665 -4.781 -7.418 -2.017 294 HD2 TYR 665 HD2 TYR 665 -3.418 -5.740 1.647 295 HE1 TYR 665 HE1 TYR 665 -6.881 -8.094 -0.936 296 HE2 TYR 665 HE2 TYR 665 -5.516 -6.424 2.742 297 HH TYR 665 HH TYR 665 -7.873 -6.931 2.049 298 H MET 666 HN MET 666 -1.968 -8.841 0.648 299 HA MET 666 HA MET 666 0.007 -7.780 2.416 300 HB2 MET 666 HB2 MET 666 -1.714 -10.246 2.463 301 HB3 MET 666 HB1 MET 666 -0.436 -10.010 3.655 302 HG2 MET 666 HG2 MET 666 -1.467 -7.980 4.435 303 HG3 MET 666 HG1 MET 666 -2.679 -8.060 3.162 304 HE1 MET 666 HE1 MET 666 -4.604 -7.755 4.983 305 HE2 MET 666 HE2 MET 666 -3.374 -7.664 6.244 306 HE3 MET 666 HE3 MET 666 -4.742 -8.762 6.423 307 H MET 667 HN MET 667 -0.092 -10.357 0.051 308 HA MET 667 HA MET 667 2.400 -11.530 0.782 309 HB2 MET 667 HB2 MET 667 0.755 -12.772 -0.541 310 HB3 MET 667 HB1 MET 667 0.893 -11.594 -1.839 311 HG2 MET 667 HG2 MET 667 3.267 -12.228 -2.112 312 HG3 MET 667 HG1 MET 667 3.045 -13.474 -0.885 313 HE1 MET 667 HE1 MET 667 0.988 -13.461 -5.012 314 HE2 MET 667 HE2 MET 667 2.115 -12.225 -4.456 315 HE3 MET 667 HE3 MET 667 0.514 -12.353 -3.727 316 H LEU 668 HN LEU 668 1.387 -9.171 -1.664 317 HA LEU 668 HA LEU 668 3.936 -8.714 -2.774 318 HB2 LEU 668 HB2 LEU 668 1.368 -7.193 -2.731 319 HB3 LEU 668 HB1 LEU 668 2.819 -6.355 -3.244 320 HG LEU 668 HG LEU 668 3.141 -7.982 -5.048 321 HD11 LEU 668 HD11 LEU 668 1.379 -9.597 -5.590 322 HD12 LEU 668 HD12 LEU 668 0.558 -9.194 -4.082 323 HD13 LEU 668 HD13 LEU 668 2.150 -9.953 -4.044 324 HD21 LEU 668 HD21 LEU 668 0.395 -6.753 -4.956 325 HD22 LEU 668 HD22 LEU 668 1.196 -7.348 -6.409 326 HD23 LEU 668 HD23 LEU 668 1.878 -5.986 -5.525 327 H ALA 669 HN ALA 669 2.322 -7.378 0.070 328 HA ALA 669 HA ALA 669 4.294 -5.317 0.458 329 HB1 ALA 669 HB1 ALA 669 2.002 -5.010 1.253 330 HB2 ALA 669 HB2 ALA 669 3.153 -4.930 2.587 331 HB3 ALA 669 HB3 ALA 669 2.189 -6.386 2.340 332 H ARG 670 HN ARG 670 3.675 -8.577 1.616 333 HA ARG 670 HA ARG 670 5.675 -8.714 3.597 334 HB2 ARG 670 HB2 ARG 670 3.893 -10.404 3.328 335 HB3 ARG 670 HB1 ARG 670 4.606 -10.901 1.801 336 HG2 ARG 670 HG2 ARG 670 6.639 -11.593 2.996 337 HG3 ARG 670 HG1 ARG 670 5.868 -11.154 4.522 338 HD2 ARG 670 HD2 ARG 670 5.610 -13.507 4.233 339 HD3 ARG 670 HD1 ARG 670 4.040 -12.756 3.962 340 HE ARG 670 HE ARG 670 5.736 -13.386 1.655 341 HH11 ARG 670 HH11 ARG 670 2.805 -13.943 3.497 342 HH12 ARG 670 HH12 ARG 670 2.092 -14.956 2.280 343 HH21 ARG 670 HH21 ARG 670 4.799 -14.723 0.067 344 HH22 ARG 670 HH22 ARG 670 3.218 -15.397 0.333 345 H GLU 671 HN GLU 671 5.675 -9.442 0.131 346 HA GLU 671 HA GLU 671 8.339 -10.343 -0.054 347 HB2 GLU 671 HB2 GLU 671 6.432 -10.532 -1.769 348 HB3 GLU 671 HB1 GLU 671 6.834 -8.882 -2.221 349 HG2 GLU 671 HG2 GLU 671 7.944 -10.273 -3.753 350 HG3 GLU 671 HG1 GLU 671 9.181 -9.698 -2.637 351 H ALA 672 HN ALA 672 6.802 -7.189 -0.514 352 HA ALA 672 HA ALA 672 9.064 -5.698 -1.144 353 HB1 ALA 672 HB1 ALA 672 7.778 -3.760 -0.470 354 HB2 ALA 672 HB2 ALA 672 6.644 -4.787 0.404 355 HB3 ALA 672 HB3 ALA 672 6.753 -4.891 -1.351 356 H GLU 673 HN GLU 673 7.684 -6.492 2.037 357 HA GLU 673 HA GLU 673 9.481 -4.932 3.551 358 HB2 GLU 673 HB2 GLU 673 7.369 -5.787 4.465 359 HB3 GLU 673 HB1 GLU 673 7.978 -7.432 4.350 360 HG2 GLU 673 HG2 GLU 673 9.663 -6.979 5.998 361 HG3 GLU 673 HG1 GLU 673 9.218 -5.274 6.041 362 H MET 674 HN MET 674 9.583 -8.277 2.430 363 HA MET 674 HA MET 674 12.003 -8.900 3.821 364 HB2 MET 674 HB2 MET 674 10.664 -10.281 1.485 365 HB3 MET 674 HB1 MET 674 12.055 -10.913 2.355 366 HG2 MET 674 HG2 MET 674 10.722 -10.973 4.415 367 HG3 MET 674 HG1 MET 674 9.327 -10.389 3.514 368 HE1 MET 674 HE1 MET 674 11.850 -13.318 4.048 369 HE2 MET 674 HE2 MET 674 12.066 -12.996 2.327 370 HE3 MET 674 HE3 MET 674 11.315 -14.501 2.856 371 H LEU 675 HN LEU 675 11.234 -7.487 0.723 372 HA LEU 675 HA LEU 675 13.947 -7.726 -0.253 373 HB2 LEU 675 HB2 LEU 675 11.422 -6.502 -1.296 374 HB3 LEU 675 HB1 LEU 675 12.962 -6.106 -2.035 375 HG LEU 675 HG LEU 675 11.915 -8.924 -1.756 376 HD11 LEU 675 HD11 LEU 675 11.785 -7.014 -4.078 377 HD12 LEU 675 HD12 LEU 675 10.426 -7.705 -3.192 378 HD13 LEU 675 HD13 LEU 675 11.455 -8.742 -4.178 379 HD21 LEU 675 HD21 LEU 675 14.184 -7.720 -3.339 380 HD22 LEU 675 HD22 LEU 675 13.634 -9.393 -3.463 381 HD23 LEU 675 HD23 LEU 675 14.325 -8.802 -1.952 382 H PHE 676 HN PHE 676 12.178 -5.512 1.674 383 HA PHE 676 HA PHE 676 13.778 -3.230 1.044 384 HB2 PHE 676 HB2 PHE 676 11.458 -3.120 2.026 385 HB3 PHE 676 HB1 PHE 676 12.147 -3.671 3.556 386 HD1 PHE 676 HD1 PHE 676 12.560 -2.053 5.100 387 HD2 PHE 676 HD2 PHE 676 12.894 -1.061 0.975 388 HE1 PHE 676 HE1 PHE 676 13.111 0.265 5.705 389 HE2 PHE 676 HE2 PHE 676 13.445 1.259 1.575 390 HZ PHE 676 HZ PHE 676 13.554 1.938 3.891 391 H THR 677 HN THR 677 13.803 -5.647 3.639 392 HA THR 677 HA THR 677 16.239 -4.489 4.723 393 HB THR 677 HB THR 677 16.047 -6.336 6.410 394 HG1 THR 677 HG1 THR 677 14.790 -7.924 5.769 395 HG21 THR 677 HG21 THR 677 13.608 -4.584 6.074 396 HG22 THR 677 HG22 THR 677 15.120 -4.110 6.850 397 HG23 THR 677 HG23 THR 677 14.116 -5.370 7.568 398 H GLY 678 HN GLY 678 15.158 -7.268 2.890 399 HA2 GLY 678 HA2 GLY 678 16.411 -8.602 1.465 400 HA3 GLY 678 HA1 GLY 678 17.871 -7.811 2.049 401 H GLY 679 HN GLY 679 18.611 -10.108 1.925 402 HA2 GLY 679 HA2 GLY 679 19.663 -11.560 3.454 403 HA3 GLY 679 HA1 GLY 679 18.395 -11.219 4.620 404 H TYR 680 HN TYR 680 19.462 -13.766 3.772 405 HA TYR 680 HA TYR 680 18.757 -15.876 3.339 406 HB2 TYR 680 HB2 TYR 680 16.062 -14.685 4.026 407 HB3 TYR 680 HB1 TYR 680 16.439 -16.407 3.995 408 HD1 TYR 680 HD1 TYR 680 18.067 -17.330 5.649 409 HD2 TYR 680 HD2 TYR 680 16.612 -13.342 5.899 410 HE1 TYR 680 HE1 TYR 680 18.805 -17.217 7.992 411 HE2 TYR 680 HE2 TYR 680 17.349 -13.215 8.244 412 HH TYR 680 HH TYR 680 17.831 -14.754 10.108 413 H GLY 681 HN GLY 681 19.099 -14.373 1.033 414 HA2 GLY 681 HA2 GLY 681 18.792 -15.279 -1.166 415 HA3 GLY 681 HA1 GLY 681 17.160 -15.749 -0.706 416 H LEU 682 HN LEU 682 16.949 -12.966 0.593 417 HA LEU 682 HA LEU 682 15.914 -11.743 -1.840 418 HB2 LEU 682 HB2 LEU 682 15.504 -11.135 1.081 419 HB3 LEU 682 HB1 LEU 682 14.917 -10.080 -0.186 420 HG LEU 682 HG LEU 682 13.090 -11.421 0.567 421 HD11 LEU 682 HD11 LEU 682 12.382 -12.505 -1.456 422 HD12 LEU 682 HD12 LEU 682 14.041 -12.574 -2.044 423 HD13 LEU 682 HD13 LEU 682 13.238 -11.015 -1.852 424 HD21 LEU 682 HD21 LEU 682 14.350 -13.240 1.595 425 HD22 LEU 682 HD22 LEU 682 14.779 -13.849 -0.005 426 HD23 LEU 682 HD23 LEU 682 13.095 -13.853 0.517 427 H GLU 683 HN GLU 683 16.825 -10.080 -2.819 428 HA GLU 683 HA GLU 683 19.186 -8.842 -1.659 429 HB2 GLU 683 HB2 GLU 683 19.275 -9.518 -4.001 430 HB3 GLU 683 HB1 GLU 683 17.861 -8.538 -4.360 431 HG2 GLU 683 HG2 GLU 683 19.153 -6.524 -3.742 432 HG3 GLU 683 HG1 GLU 683 20.573 -7.547 -3.522 433 H LYS 684 HN LYS 684 19.007 -7.028 -0.469 434 HA LYS 684 HA LYS 684 16.497 -5.740 -0.211 435 HB2 LYS 684 HB2 LYS 684 17.497 -4.285 1.377 436 HB3 LYS 684 HB1 LYS 684 18.179 -5.879 1.628 437 HG2 LYS 684 HG2 LYS 684 20.203 -5.161 0.390 438 HG3 LYS 684 HG1 LYS 684 19.513 -3.538 0.281 439 HD2 LYS 684 HD2 LYS 684 20.237 -5.043 2.797 440 HD3 LYS 684 HD1 LYS 684 21.044 -3.617 2.141 441 HE2 LYS 684 HE2 LYS 684 19.057 -2.275 2.535 442 HE3 LYS 684 HE1 LYS 684 18.176 -3.699 3.083 443 HZ1 LYS 684 HZ1 LYS 684 18.879 -2.528 4.993 444 HZ2 LYS 684 HZ2 LYS 684 20.468 -2.383 4.418 445 HZ3 LYS 684 HZ3 LYS 684 19.871 -3.896 4.877 446 H ASP 685 HN ASP 685 15.607 -4.313 -1.441 447 HA ASP 685 HA ASP 685 17.246 -2.402 -2.927 448 HB2 ASP 685 HB2 ASP 685 16.864 -4.414 -4.383 449 HB3 ASP 685 HB1 ASP 685 15.131 -4.088 -4.284 450 HA PRO 686 HA PRO 686 13.867 -0.156 -0.831 451 HB2 PRO 686 HB2 PRO 686 15.383 2.058 -2.132 452 HB3 PRO 686 HB1 PRO 686 14.787 1.924 -0.471 453 HG2 PRO 686 HG2 PRO 686 17.369 1.583 -1.016 454 HG3 PRO 686 HG1 PRO 686 16.552 0.566 0.189 455 HD2 PRO 686 HD2 PRO 686 17.377 -0.098 -2.611 456 HD3 PRO 686 HD1 PRO 686 17.366 -1.129 -1.159 457 H GLN 687 HN GLN 687 14.937 0.232 -4.180 458 HA GLN 687 HA GLN 687 12.704 1.796 -5.017 459 HB2 GLN 687 HB2 GLN 687 14.838 1.748 -6.253 460 HB3 GLN 687 HB1 GLN 687 14.567 0.058 -6.646 461 HG2 GLN 687 HG2 GLN 687 14.066 1.575 -8.511 462 HG3 GLN 687 HG1 GLN 687 12.670 0.623 -8.008 463 HE21 GLN 687 HE21 GLN 687 10.866 1.640 -7.272 464 HE22 GLN 687 HE22 GLN 687 10.702 3.366 -7.201 465 H ARG 688 HN ARG 688 13.540 -1.647 -5.296 466 HA ARG 688 HA ARG 688 11.197 -2.445 -6.659 467 HB2 ARG 688 HB2 ARG 688 13.553 -3.613 -6.101 468 HB3 ARG 688 HB1 ARG 688 12.594 -4.309 -4.807 469 HG2 ARG 688 HG2 ARG 688 11.053 -5.255 -6.415 470 HG3 ARG 688 HG1 ARG 688 11.951 -4.504 -7.738 471 HD2 ARG 688 HD2 ARG 688 12.933 -6.628 -5.841 472 HD3 ARG 688 HD1 ARG 688 12.628 -6.800 -7.569 473 HE ARG 688 HE ARG 688 14.486 -4.874 -7.547 474 HH11 ARG 688 HH11 ARG 688 14.354 -7.987 -5.945 475 HH12 ARG 688 HH12 ARG 688 16.077 -8.166 -5.869 476 HH21 ARG 688 HH21 ARG 688 16.761 -5.112 -7.461 477 HH22 ARG 688 HH22 ARG 688 17.457 -6.527 -6.725 478 H SER 689 HN SER 689 12.139 -2.211 -3.292 479 HA SER 689 HA SER 689 9.975 -3.422 -2.065 480 HB2 SER 689 HB2 SER 689 11.462 -0.986 -1.065 481 HB3 SER 689 HB1 SER 689 10.560 -2.148 -0.088 482 HG SER 689 HG SER 689 12.888 -2.699 -1.627 483 H GLY 690 HN GLY 690 10.336 0.068 -3.002 484 HA2 GLY 690 HA2 GLY 690 7.774 0.758 -2.023 485 HA3 GLY 690 HA1 GLY 690 8.782 1.708 -3.116 486 H ASP 691 HN ASP 691 8.988 -0.362 -5.143 487 HA ASP 691 HA ASP 691 6.670 0.212 -6.656 488 HB2 ASP 691 HB2 ASP 691 8.915 -1.759 -6.970 489 HB3 ASP 691 HB1 ASP 691 7.503 -1.875 -8.015 490 H LEU 692 HN LEU 692 7.629 -2.681 -4.817 491 HA LEU 692 HA LEU 692 5.240 -4.099 -5.406 492 HB2 LEU 692 HB2 LEU 692 7.396 -4.441 -3.348 493 HB3 LEU 692 HB1 LEU 692 5.978 -5.475 -3.372 494 HG LEU 692 HG LEU 692 7.746 -5.153 -5.784 495 HD11 LEU 692 HD11 LEU 692 9.135 -5.942 -3.945 496 HD12 LEU 692 HD12 LEU 692 8.838 -7.233 -5.109 497 HD13 LEU 692 HD13 LEU 692 7.954 -7.201 -3.585 498 HD21 LEU 692 HD21 LEU 692 5.534 -6.069 -6.185 499 HD22 LEU 692 HD22 LEU 692 5.769 -7.251 -4.894 500 HD23 LEU 692 HD23 LEU 692 6.753 -7.333 -6.357 501 H TYR 693 HN TYR 693 6.209 -1.966 -2.749 502 HA TYR 693 HA TYR 693 3.930 -2.448 -1.147 503 HB2 TYR 693 HB2 TYR 693 6.021 -0.337 -1.228 504 HB3 TYR 693 HB1 TYR 693 4.504 0.073 -0.421 505 HD1 TYR 693 HD1 TYR 693 3.644 -1.966 1.157 506 HD2 TYR 693 HD2 TYR 693 7.694 -1.119 0.169 507 HE1 TYR 693 HE1 TYR 693 4.380 -3.122 3.199 508 HE2 TYR 693 HE2 TYR 693 8.440 -2.275 2.204 509 HH TYR 693 HH TYR 693 6.396 -4.247 4.051 510 H THR 694 HN THR 694 4.513 -0.192 -3.807 511 HA THR 694 HA THR 694 2.039 1.193 -3.417 512 HB THR 694 HB THR 694 2.479 2.021 -5.810 513 HG1 THR 694 HG1 THR 694 5.091 1.021 -5.367 514 HG21 THR 694 HG21 THR 694 4.229 3.552 -5.064 515 HG22 THR 694 HG22 THR 694 4.581 2.500 -3.693 516 HG23 THR 694 HG23 THR 694 3.022 3.319 -3.800 517 H GLN 695 HN GLN 695 3.120 -1.488 -5.471 518 HA GLN 695 HA GLN 695 0.695 -1.820 -6.890 519 HB2 GLN 695 HB2 GLN 695 2.811 -3.840 -6.117 520 HB3 GLN 695 HB1 GLN 695 1.484 -4.176 -7.219 521 HG2 GLN 695 HG2 GLN 695 2.312 -2.494 -8.762 522 HG3 GLN 695 HG1 GLN 695 3.623 -2.099 -7.644 523 HE21 GLN 695 HE21 GLN 695 5.268 -2.672 -9.074 524 HE22 GLN 695 HE22 GLN 695 5.574 -4.312 -9.537 525 H ALA 696 HN ALA 696 1.934 -3.184 -3.862 526 HA ALA 696 HA ALA 696 -0.237 -4.795 -3.209 527 HB1 ALA 696 HB1 ALA 696 1.592 -3.304 -1.330 528 HB2 ALA 696 HB2 ALA 696 1.924 -4.880 -2.048 529 HB3 ALA 696 HB3 ALA 696 0.583 -4.690 -0.920 530 H ALA 697 HN ALA 697 0.353 -1.331 -2.576 531 HA ALA 697 HA ALA 697 -1.897 -0.957 -0.927 532 HB1 ALA 697 HB1 ALA 697 0.065 0.588 -1.126 533 HB2 ALA 697 HB2 ALA 697 -1.505 1.383 -1.218 534 HB3 ALA 697 HB3 ALA 697 -0.575 1.099 -2.687 535 H GLU 698 HN GLU 698 -1.367 -0.701 -4.405 536 HA GLU 698 HA GLU 698 -3.859 0.366 -5.099 537 HB2 GLU 698 HB2 GLU 698 -1.922 0.218 -6.627 538 HB3 GLU 698 HB1 GLU 698 -2.105 -1.528 -6.677 539 HG2 GLU 698 HG2 GLU 698 -4.277 -1.286 -7.738 540 HG3 GLU 698 HG1 GLU 698 -4.136 0.471 -7.650 541 H ALA 699 HN ALA 699 -2.757 -3.005 -4.786 542 HA ALA 699 HA ALA 699 -5.258 -4.180 -5.417 543 HB1 ALA 699 HB1 ALA 699 -2.911 -5.255 -3.859 544 HB2 ALA 699 HB2 ALA 699 -3.222 -5.462 -5.582 545 HB3 ALA 699 HB3 ALA 699 -4.285 -6.219 -4.395 546 H ALA 700 HN ALA 700 -3.877 -2.898 -2.496 547 HA ALA 700 HA ALA 700 -5.701 -4.101 -0.668 548 HB1 ALA 700 HB1 ALA 700 -3.523 -3.181 0.022 549 HB2 ALA 700 HB2 ALA 700 -4.861 -2.519 0.960 550 HB3 ALA 700 HB3 ALA 700 -4.119 -1.558 -0.319 551 H MET 701 HN MET 701 -5.564 -0.884 -2.187 552 HA MET 701 HA MET 701 -8.013 -0.037 -1.000 553 HB2 MET 701 HB2 MET 701 -7.837 1.929 -2.368 554 HB3 MET 701 HB1 MET 701 -6.238 1.532 -1.759 555 HG2 MET 701 HG2 MET 701 -5.750 0.458 -3.950 556 HG3 MET 701 HG1 MET 701 -7.296 1.073 -4.535 557 HE1 MET 701 HE1 MET 701 -4.776 3.425 -6.349 558 HE2 MET 701 HE2 MET 701 -6.278 2.524 -6.532 559 HE3 MET 701 HE3 MET 701 -4.789 1.676 -6.125 560 H GLU 702 HN GLU 702 -7.193 -1.776 -3.906 561 HA GLU 702 HA GLU 702 -9.707 -1.481 -5.187 562 HB2 GLU 702 HB2 GLU 702 -7.642 -2.311 -6.302 563 HB3 GLU 702 HB1 GLU 702 -7.782 -3.800 -5.379 564 HG2 GLU 702 HG2 GLU 702 -8.631 -4.063 -7.646 565 HG3 GLU 702 HG1 GLU 702 -9.907 -4.289 -6.450 566 H ALA 703 HN ALA 703 -8.511 -3.504 -2.632 567 HA ALA 703 HA ALA 703 -10.923 -5.132 -2.585 568 HB1 ALA 703 HB1 ALA 703 -8.511 -5.159 -0.769 569 HB2 ALA 703 HB2 ALA 703 -8.787 -6.220 -2.150 570 HB3 ALA 703 HB3 ALA 703 -9.837 -6.320 -0.737 571 H MET 704 HN MET 704 -10.752 -2.147 -1.949 572 HA MET 704 HA MET 704 -11.959 -0.689 -0.708 573 HB2 MET 704 HB2 MET 704 -13.777 -2.337 -0.845 574 HB3 MET 704 HB1 MET 704 -13.146 -3.162 0.571 575 HG2 MET 704 HG2 MET 704 -15.091 -1.739 1.059 576 HG3 MET 704 HG1 MET 704 -13.651 -1.282 1.964 577 HE1 MET 704 HE1 MET 704 -15.275 1.073 -1.671 578 HE2 MET 704 HE2 MET 704 -16.119 -0.294 -0.947 579 HE3 MET 704 HE3 MET 704 -14.597 -0.551 -1.797 580 H LYS 705 HN LYS 705 -9.630 -2.640 0.471 581 HA LYS 705 HA LYS 705 -9.688 -1.697 3.221 582 HB2 LYS 705 HB2 LYS 705 -7.679 -3.402 1.732 583 HB3 LYS 705 HB1 LYS 705 -7.571 -2.997 3.437 584 HG2 LYS 705 HG2 LYS 705 -9.871 -4.502 2.209 585 HG3 LYS 705 HG1 LYS 705 -8.474 -5.269 2.958 586 HD2 LYS 705 HD2 LYS 705 -10.380 -3.377 4.343 587 HD3 LYS 705 HD1 LYS 705 -10.404 -5.135 4.484 588 HE2 LYS 705 HE2 LYS 705 -8.067 -5.027 5.347 589 HE3 LYS 705 HE1 LYS 705 -8.203 -3.271 5.351 590 HZ1 LYS 705 HZ1 LYS 705 -9.805 -5.181 6.955 591 HZ2 LYS 705 HZ2 LYS 705 -10.116 -3.519 6.890 592 HZ3 LYS 705 HZ3 LYS 705 -8.647 -4.086 7.530 593 H GLY 706 HN GLY 706 -9.704 0.466 1.779 594 HA2 GLY 706 HA2 GLY 706 -7.318 1.436 0.679 595 HA3 GLY 706 HA1 GLY 706 -8.642 2.426 1.264 596 H ARG 707 HN ARG 707 -8.320 1.278 4.020 597 HA ARG 707 HA ARG 707 -6.509 3.150 5.090 598 HB2 ARG 707 HB2 ARG 707 -8.386 2.106 6.340 599 HB3 ARG 707 HB1 ARG 707 -7.508 0.583 6.345 600 HG2 ARG 707 HG2 ARG 707 -5.746 1.582 7.687 601 HG3 ARG 707 HG1 ARG 707 -6.582 3.138 7.644 602 HD2 ARG 707 HD2 ARG 707 -7.014 1.946 9.739 603 HD3 ARG 707 HD1 ARG 707 -8.489 2.158 8.797 604 HE ARG 707 HE ARG 707 -6.954 -0.374 8.874 605 HH11 ARG 707 HH11 ARG 707 -10.026 1.361 8.900 606 HH12 ARG 707 HH12 ARG 707 -10.973 -0.101 8.853 607 HH21 ARG 707 HH21 ARG 707 -8.202 -2.245 8.782 608 HH22 ARG 707 HH22 ARG 707 -9.947 -2.129 8.754 609 H LEU 708 HN LEU 708 -6.207 -0.345 4.499 610 HA LEU 708 HA LEU 708 -3.515 -0.647 5.228 611 HB2 LEU 708 HB2 LEU 708 -5.353 -2.101 3.358 612 HB3 LEU 708 HB1 LEU 708 -3.647 -2.498 3.367 613 HG LEU 708 HG LEU 708 -5.442 -2.663 5.793 614 HD11 LEU 708 HD11 LEU 708 -4.429 -4.843 3.972 615 HD12 LEU 708 HD12 LEU 708 -6.098 -4.289 4.089 616 HD13 LEU 708 HD13 LEU 708 -5.334 -5.080 5.466 617 HD21 LEU 708 HD21 LEU 708 -3.138 -2.306 6.396 618 HD22 LEU 708 HD22 LEU 708 -2.612 -3.553 5.264 619 HD23 LEU 708 HD23 LEU 708 -3.551 -3.995 6.687 620 H ALA 709 HN ALA 709 -5.053 0.182 2.178 621 HA ALA 709 HA ALA 709 -2.833 0.326 0.532 622 HB1 ALA 709 HB1 ALA 709 -4.135 1.778 -0.896 623 HB2 ALA 709 HB2 ALA 709 -5.258 2.104 0.425 624 HB3 ALA 709 HB3 ALA 709 -5.148 0.482 -0.258 625 H ASN 710 HN ASN 710 -4.342 2.985 2.348 626 HA ASN 710 HA ASN 710 -2.485 4.952 1.707 627 HB2 ASN 710 HB2 ASN 710 -4.674 5.361 2.815 628 HB3 ASN 710 HB1 ASN 710 -4.012 4.693 4.306 629 HD21 ASN 710 HD21 ASN 710 -4.311 6.630 5.426 630 HD22 ASN 710 HD22 ASN 710 -3.327 8.018 5.142 631 H GLN 711 HN GLN 711 -2.514 2.693 4.479 632 HA GLN 711 HA GLN 711 -0.143 3.512 5.670 633 HB2 GLN 711 HB2 GLN 711 -1.640 1.906 6.714 634 HB3 GLN 711 HB1 GLN 711 -1.295 0.725 5.458 635 HG2 GLN 711 HG2 GLN 711 1.030 0.624 6.192 636 HG3 GLN 711 HG1 GLN 711 0.688 1.812 7.446 637 HE21 GLN 711 HE21 GLN 711 -1.563 -0.727 6.561 638 HE22 GLN 711 HE22 GLN 711 -1.418 -1.623 8.032 639 H TYR 712 HN TYR 712 -0.549 0.918 3.255 640 HA TYR 712 HA TYR 712 2.176 0.413 2.922 641 HB2 TYR 712 HB2 TYR 712 -0.076 0.003 0.955 642 HB3 TYR 712 HB1 TYR 712 1.567 -0.600 0.714 643 HD1 TYR 712 HD1 TYR 712 2.169 -1.484 3.528 644 HD2 TYR 712 HD2 TYR 712 -1.295 -1.982 1.118 645 HE1 TYR 712 HE1 TYR 712 1.600 -3.525 4.776 646 HE2 TYR 712 HE2 TYR 712 -1.877 -4.020 2.359 647 HH TYR 712 HH TYR 712 -0.338 -4.905 5.278 648 H TYR 713 HN TYR 713 0.176 2.916 1.418 649 HA TYR 713 HA TYR 713 2.194 3.778 -0.411 650 HB2 TYR 713 HB2 TYR 713 -0.288 5.047 0.708 651 HB3 TYR 713 HB1 TYR 713 0.872 6.040 -0.163 652 HD1 TYR 713 HD1 TYR 713 -2.025 4.124 -0.495 653 HD2 TYR 713 HD2 TYR 713 1.623 4.995 -2.502 654 HE1 TYR 713 HE1 TYR 713 -3.041 3.439 -2.627 655 HE2 TYR 713 HE2 TYR 713 0.613 4.308 -4.640 656 HH TYR 713 HH TYR 713 -1.217 2.880 -5.434 657 H GLN 714 HN GLN 714 1.302 4.658 2.880 658 HA GLN 714 HA GLN 714 3.214 6.680 3.306 659 HB2 GLN 714 HB2 GLN 714 1.217 6.142 4.745 660 HB3 GLN 714 HB1 GLN 714 2.072 4.726 5.324 661 HG2 GLN 714 HG2 GLN 714 3.222 7.472 5.628 662 HG3 GLN 714 HG1 GLN 714 2.042 6.839 6.767 663 HE21 GLN 714 HE21 GLN 714 3.042 4.103 6.582 664 HE22 GLN 714 HE22 GLN 714 4.537 4.075 7.450 665 H LYS 715 HN LYS 715 3.386 3.233 3.209 666 HA LYS 715 HA LYS 715 5.913 3.074 4.632 667 HB2 LYS 715 HB2 LYS 715 3.889 1.315 4.474 668 HB3 LYS 715 HB1 LYS 715 4.813 0.765 3.081 669 HG2 LYS 715 HG2 LYS 715 5.800 0.927 5.932 670 HG3 LYS 715 HG1 LYS 715 5.359 -0.537 5.053 671 HD2 LYS 715 HD2 LYS 715 7.190 -0.135 3.473 672 HD3 LYS 715 HD1 LYS 715 7.632 1.328 4.358 673 HE2 LYS 715 HE2 LYS 715 7.650 -1.486 5.444 674 HE3 LYS 715 HE1 LYS 715 9.068 -0.550 4.974 675 HZ1 LYS 715 HZ1 LYS 715 7.176 0.185 7.142 676 HZ2 LYS 715 HZ2 LYS 715 8.576 1.038 6.714 677 HZ3 LYS 715 HZ3 LYS 715 8.697 -0.518 7.368 678 H ALA 716 HN ALA 716 4.630 2.826 1.349 679 HA ALA 716 HA ALA 716 7.008 2.209 0.001 680 HB1 ALA 716 HB1 ALA 716 4.794 2.119 -1.060 681 HB2 ALA 716 HB2 ALA 716 5.907 3.124 -1.986 682 HB3 ALA 716 HB3 ALA 716 4.681 3.874 -0.968 683 H GLU 717 HN GLU 717 5.541 5.327 0.851 684 HA GLU 717 HA GLU 717 7.541 6.945 -0.279 685 HB2 GLU 717 HB2 GLU 717 5.261 7.677 0.483 686 HB3 GLU 717 HB1 GLU 717 5.844 7.578 2.137 687 HG2 GLU 717 HG2 GLU 717 5.976 9.844 1.517 688 HG3 GLU 717 HG1 GLU 717 7.628 9.229 1.478 689 H GLU 718 HN GLU 718 7.121 5.578 2.975 690 HA GLU 718 HA GLU 718 9.436 6.618 4.154 691 HB2 GLU 718 HB2 GLU 718 7.724 5.452 5.445 692 HB3 GLU 718 HB1 GLU 718 8.097 3.950 4.615 693 HG2 GLU 718 HG2 GLU 718 10.404 4.091 5.563 694 HG3 GLU 718 HG1 GLU 718 9.855 5.463 6.526 695 H ALA 719 HN ALA 719 8.949 3.657 2.270 696 HA ALA 719 HA ALA 719 11.479 2.550 2.476 697 HB1 ALA 719 HB1 ALA 719 9.644 2.497 0.081 698 HB2 ALA 719 HB2 ALA 719 9.595 1.386 1.450 699 HB3 ALA 719 HB3 ALA 719 10.992 1.397 0.372 700 H TRP 720 HN TRP 720 10.272 4.787 -0.020 701 HA TRP 720 HA TRP 720 12.856 5.067 -1.206 702 HB2 TRP 720 HB2 TRP 720 10.340 6.704 -1.560 703 HB3 TRP 720 HB1 TRP 720 11.809 6.930 -2.506 704 HD1 TRP 720 HD1 TRP 720 12.443 3.774 -2.936 705 HE1 TRP 720 HE1 TRP 720 11.004 2.460 -4.612 706 HE3 TRP 720 HE3 TRP 720 8.341 6.845 -3.104 707 HZ2 TRP 720 HZ2 TRP 720 8.484 2.689 -5.851 708 HZ3 TRP 720 HZ3 TRP 720 6.467 6.221 -4.564 709 HH2 TRP 720 HH2 TRP 720 6.538 4.187 -5.911 710 H ALA 721 HN ALA 721 11.215 6.764 1.368 711 HA ALA 721 HA ALA 721 12.910 9.063 1.310 712 HB1 ALA 721 HB1 ALA 721 10.678 9.096 2.339 713 HB2 ALA 721 HB2 ALA 721 11.934 9.631 3.454 714 HB3 ALA 721 HB3 ALA 721 11.257 8.010 3.600 715 H GLN 722 HN GLN 722 12.953 6.021 3.103 716 HA GLN 722 HA GLN 722 15.235 6.859 4.685 717 HB2 GLN 722 HB2 GLN 722 13.447 5.489 5.684 718 HB3 GLN 722 HB1 GLN 722 13.788 4.202 4.536 719 HG2 GLN 722 HG2 GLN 722 16.029 3.957 5.489 720 HG3 GLN 722 HG1 GLN 722 15.668 5.232 6.648 721 HE21 GLN 722 HE21 GLN 722 13.268 2.887 5.685 722 HE22 GLN 722 HE22 GLN 722 13.229 2.015 7.180 723 H MET 723 HN MET 723 14.553 4.187 2.416 724 HA MET 723 HA MET 723 15.942 2.790 1.265 725 HB2 MET 723 HB2 MET 723 17.292 5.441 0.742 726 HB3 MET 723 HB1 MET 723 17.626 3.968 -0.156 727 HG2 MET 723 HG2 MET 723 15.242 3.912 -0.836 728 HG3 MET 723 HG1 MET 723 15.026 5.473 -0.045 729 HE1 MET 723 HE1 MET 723 17.371 7.777 -2.169 730 HE2 MET 723 HE2 MET 723 17.835 6.881 -0.724 731 HE3 MET 723 HE3 MET 723 16.267 7.683 -0.799 732 H GLU 724 HN GLU 724 16.616 2.899 4.021 733 HA GLU 724 HA GLU 724 19.209 1.761 3.966 734 HB2 GLU 724 HB2 GLU 724 19.797 4.177 3.830 735 HB3 GLU 724 HB1 GLU 724 18.975 4.432 5.362 736 HG2 GLU 724 HG2 GLU 724 20.552 2.900 6.447 737 HG3 GLU 724 HG1 GLU 724 21.391 2.695 4.910 738 H GLU 725 HN GLU 725 17.685 0.212 4.867 739 HA GLU 725 HA GLU 725 17.581 0.519 7.780 740 HB2 GLU 725 HB2 GLU 725 15.296 0.715 6.694 741 HB3 GLU 725 HB1 GLU 725 15.486 -0.953 6.168 742 HG2 GLU 725 HG2 GLU 725 15.608 -1.697 8.467 743 HG3 GLU 725 HG1 GLU 725 15.527 -0.031 9.034 Start of MODEL 5 1 H1 GLY 623 HT1 GLY 623 -15.249 -9.288 12.631 2 H2 GLY 623 HT2 GLY 623 -14.608 -10.047 11.267 3 H3 GLY 623 HT3 GLY 623 -15.636 -10.899 12.299 4 HA2 GLY 623 HA1 GLY 623 -16.800 -10.249 10.297 5 HA3 GLY 623 HA2 GLY 623 -17.475 -9.466 11.719 6 H SER 624 HN SER 624 -17.938 -8.417 9.231 7 HA SER 624 HA SER 624 -15.981 -6.375 8.663 8 HB2 SER 624 HB2 SER 624 -17.763 -5.705 6.932 9 HB3 SER 624 HB1 SER 624 -16.976 -7.270 6.732 10 HG SER 624 HG SER 624 -19.592 -6.688 7.180 11 H HIS 625 HN HIS 625 -16.349 -5.654 10.996 12 HA HIS 625 HA HIS 625 -18.673 -4.014 11.473 13 HB2 HIS 625 HB2 HIS 625 -17.528 -5.211 13.312 14 HB3 HIS 625 HB1 HIS 625 -16.086 -4.246 13.030 15 HD1 HIS 625 HD1 HIS 625 -15.858 -2.340 14.583 16 HD2 HIS 625 HD2 HIS 625 -19.842 -3.377 13.994 17 HE1 HIS 625 HE1 HIS 625 -17.187 -0.792 16.054 18 HE2 HIS 625 HE2 HIS 625 -19.598 -1.349 15.580 19 H MET 626 HN MET 626 -15.773 -3.639 9.823 20 HA MET 626 HA MET 626 -16.074 -0.717 9.879 21 HB2 MET 626 HB2 MET 626 -13.538 -2.330 10.001 22 HB3 MET 626 HB1 MET 626 -13.545 -0.658 9.462 23 HG2 MET 626 HG2 MET 626 -14.422 -1.681 12.153 24 HG3 MET 626 HG1 MET 626 -12.939 -0.795 11.795 25 HE1 MET 626 HE1 MET 626 -12.943 1.708 10.848 26 HE2 MET 626 HE2 MET 626 -14.393 2.701 10.705 27 HE3 MET 626 HE3 MET 626 -14.156 1.328 9.627 28 H SER 627 HN SER 627 -17.465 -1.330 8.032 29 HA SER 627 HA SER 627 -16.252 -2.264 5.622 30 HB2 SER 627 HB2 SER 627 -18.360 -1.424 4.544 31 HB3 SER 627 HB1 SER 627 -18.650 -2.514 5.900 32 HG SER 627 HG SER 627 -18.563 -0.149 6.968 33 HA PRO 628 HA PRO 628 -14.233 1.501 4.477 34 HB2 PRO 628 HB2 PRO 628 -13.756 0.958 1.876 35 HB3 PRO 628 HB1 PRO 628 -12.899 0.132 3.183 36 HG2 PRO 628 HG2 PRO 628 -15.249 -0.799 1.578 37 HG3 PRO 628 HG1 PRO 628 -13.785 -1.687 2.041 38 HD2 PRO 628 HD2 PRO 628 -16.135 -1.953 3.363 39 HD3 PRO 628 HD1 PRO 628 -14.560 -2.112 4.164 40 H ASP 629 HN ASP 629 -16.752 2.152 4.788 41 HA ASP 629 HA ASP 629 -18.093 2.984 2.412 42 HB2 ASP 629 HB2 ASP 629 -19.299 2.640 4.542 43 HB3 ASP 629 HB1 ASP 629 -18.425 3.998 5.246 44 H ARG 630 HN ARG 630 -15.790 4.405 4.604 45 HA ARG 630 HA ARG 630 -15.766 6.950 3.246 46 HB2 ARG 630 HB2 ARG 630 -13.916 7.495 4.755 47 HB3 ARG 630 HB1 ARG 630 -15.280 6.836 5.642 48 HG2 ARG 630 HG2 ARG 630 -14.144 4.660 5.748 49 HG3 ARG 630 HG1 ARG 630 -12.768 5.353 4.891 50 HD2 ARG 630 HD2 ARG 630 -13.818 6.249 7.571 51 HD3 ARG 630 HD1 ARG 630 -12.374 5.275 7.301 52 HE ARG 630 HE ARG 630 -12.106 7.614 5.799 53 HH11 ARG 630 HH11 ARG 630 -12.375 6.732 9.187 54 HH12 ARG 630 HH12 ARG 630 -11.347 8.032 9.725 55 HH21 ARG 630 HH21 ARG 630 -10.746 9.299 6.512 56 HH22 ARG 630 HH22 ARG 630 -10.421 9.480 8.214 57 H CYS 631 HN CYS 631 -15.421 4.936 1.426 58 HA CYS 631 HA CYS 631 -12.782 4.182 0.868 59 HB2 CYS 631 HB2 CYS 631 -13.683 3.911 -1.515 60 HB3 CYS 631 HB1 CYS 631 -14.462 2.972 -0.246 61 HG CYS 631 HG CYS 631 -15.680 5.590 -2.028 62 H GLN 632 HN GLN 632 -14.443 7.168 0.330 63 HA GLN 632 HA GLN 632 -12.959 8.338 -1.691 64 HB2 GLN 632 HB2 GLN 632 -13.593 10.483 -0.721 65 HB3 GLN 632 HB1 GLN 632 -14.948 9.362 -0.679 66 HG2 GLN 632 HG2 GLN 632 -14.491 8.911 1.687 67 HG3 GLN 632 HG1 GLN 632 -13.150 10.050 1.637 68 HE21 GLN 632 HE21 GLN 632 -16.597 9.675 1.596 69 HE22 GLN 632 HE22 GLN 632 -16.983 11.332 1.913 70 H ASP 633 HN ASP 633 -12.036 7.604 1.562 71 HA ASP 633 HA ASP 633 -10.075 9.571 1.944 72 HB2 ASP 633 HB2 ASP 633 -10.664 6.956 3.253 73 HB3 ASP 633 HB1 ASP 633 -9.155 7.781 3.620 74 H TRP 634 HN TRP 634 -9.755 6.262 0.606 75 HA TRP 634 HA TRP 634 -6.923 6.421 0.792 76 HB2 TRP 634 HB2 TRP 634 -6.855 4.344 -0.578 77 HB3 TRP 634 HB1 TRP 634 -7.810 4.228 0.885 78 HD1 TRP 634 HD1 TRP 634 -10.292 3.498 0.646 79 HE1 TRP 634 HE1 TRP 634 -11.746 2.742 -1.333 80 HE3 TRP 634 HE3 TRP 634 -7.216 4.864 -3.215 81 HZ2 TRP 634 HZ2 TRP 634 -11.618 2.717 -4.146 82 HZ3 TRP 634 HZ3 TRP 634 -7.960 4.426 -5.520 83 HH2 TRP 634 HH2 TRP 634 -10.113 3.377 -5.974 84 H LEU 635 HN LEU 635 -9.213 7.248 -1.692 85 HA LEU 635 HA LEU 635 -7.419 7.555 -3.837 86 HB2 LEU 635 HB2 LEU 635 -9.910 9.111 -3.144 87 HB3 LEU 635 HB1 LEU 635 -9.011 9.352 -4.626 88 HG LEU 635 HG LEU 635 -9.435 6.786 -4.962 89 HD11 LEU 635 HD11 LEU 635 -11.596 6.081 -4.055 90 HD12 LEU 635 HD12 LEU 635 -11.667 7.560 -3.096 91 HD13 LEU 635 HD13 LEU 635 -10.408 6.366 -2.784 92 HD21 LEU 635 HD21 LEU 635 -10.258 8.523 -6.436 93 HD22 LEU 635 HD22 LEU 635 -11.569 8.885 -5.311 94 HD23 LEU 635 HD23 LEU 635 -11.521 7.327 -6.138 95 H GLU 636 HN GLU 636 -8.430 9.766 -1.284 96 HA GLU 636 HA GLU 636 -6.742 11.898 -2.136 97 HB2 GLU 636 HB2 GLU 636 -8.110 11.435 0.515 98 HB3 GLU 636 HB1 GLU 636 -7.378 12.949 -0.003 99 HG2 GLU 636 HG2 GLU 636 -9.797 11.588 -1.148 100 HG3 GLU 636 HG1 GLU 636 -9.720 13.134 -0.306 101 H ALA 637 HN ALA 637 -6.542 9.389 0.333 102 HA ALA 637 HA ALA 637 -4.242 10.263 1.639 103 HB1 ALA 637 HB1 ALA 637 -4.073 8.083 2.566 104 HB2 ALA 637 HB2 ALA 637 -4.977 7.376 1.225 105 HB3 ALA 637 HB3 ALA 637 -5.793 8.433 2.379 106 H LEU 638 HN LEU 638 -4.567 8.115 -1.186 107 HA LEU 638 HA LEU 638 -1.713 7.845 -1.441 108 HB2 LEU 638 HB2 LEU 638 -4.080 6.901 -2.958 109 HB3 LEU 638 HB1 LEU 638 -2.572 7.027 -3.841 110 HG LEU 638 HG LEU 638 -1.506 5.542 -2.146 111 HD11 LEU 638 HD11 LEU 638 -2.922 4.246 -0.648 112 HD12 LEU 638 HD12 LEU 638 -4.325 5.187 -1.149 113 HD13 LEU 638 HD13 LEU 638 -3.007 5.967 -0.275 114 HD21 LEU 638 HD21 LEU 638 -2.527 3.487 -2.961 115 HD22 LEU 638 HD22 LEU 638 -2.329 4.659 -4.263 116 HD23 LEU 638 HD23 LEU 638 -3.918 4.400 -3.543 117 H HIS 639 HN HIS 639 -3.854 10.304 -2.184 118 HA HIS 639 HA HIS 639 -2.401 11.192 -4.554 119 HB2 HIS 639 HB2 HIS 639 -4.903 11.232 -4.477 120 HB3 HIS 639 HB1 HIS 639 -4.801 12.452 -3.214 121 HD1 HIS 639 HD1 HIS 639 -4.433 11.964 -6.888 122 HD2 HIS 639 HD2 HIS 639 -4.049 15.021 -4.098 123 HE1 HIS 639 HE1 HIS 639 -4.327 14.090 -8.223 124 HE2 HIS 639 HE2 HIS 639 -4.318 15.928 -6.505 125 H TRP 640 HN TRP 640 -3.016 12.172 -1.212 126 HA TRP 640 HA TRP 640 -1.398 14.576 -1.657 127 HB2 TRP 640 HB2 TRP 640 -3.171 13.867 0.687 128 HB3 TRP 640 HB1 TRP 640 -2.324 15.394 0.465 129 HD1 TRP 640 HD1 TRP 640 -5.448 13.550 -0.516 130 HE1 TRP 640 HE1 TRP 640 -6.955 15.057 -1.953 131 HE3 TRP 640 HE3 TRP 640 -2.169 17.397 -1.351 132 HZ2 TRP 640 HZ2 TRP 640 -6.771 17.548 -3.266 133 HZ3 TRP 640 HZ3 TRP 640 -2.924 19.303 -2.714 134 HH2 TRP 640 HH2 TRP 640 -5.176 19.372 -3.647 135 H TYR 641 HN TYR 641 -0.751 11.523 -0.773 136 HA TYR 641 HA TYR 641 0.875 12.165 1.549 137 HB2 TYR 641 HB2 TYR 641 -0.437 9.916 1.073 138 HB3 TYR 641 HB1 TYR 641 1.036 9.497 0.202 139 HD1 TYR 641 HD1 TYR 641 3.208 9.398 1.438 140 HD2 TYR 641 HD2 TYR 641 -0.505 9.941 3.438 141 HE1 TYR 641 HE1 TYR 641 4.272 8.793 3.570 142 HE2 TYR 641 HE2 TYR 641 0.549 9.341 5.574 143 HH TYR 641 HH TYR 641 3.915 9.181 5.973 144 H ASN 642 HN ASN 642 1.981 13.755 0.040 145 HA ASN 642 HA ASN 642 4.117 12.520 -1.519 146 HB2 ASN 642 HB2 ASN 642 4.666 14.748 -2.265 147 HB3 ASN 642 HB1 ASN 642 2.921 14.556 -2.372 148 HD21 ASN 642 HD21 ASN 642 5.531 16.209 -0.817 149 HD22 ASN 642 HD22 ASN 642 4.568 17.357 0.048 150 H THR 643 HN THR 643 3.514 13.463 1.612 151 HA THR 643 HA THR 643 6.376 13.732 2.196 152 HB THR 643 HB THR 643 5.383 15.781 2.845 153 HG1 THR 643 HG1 THR 643 6.749 15.020 4.456 154 HG21 THR 643 HG21 THR 643 3.429 15.926 4.352 155 HG22 THR 643 HG22 THR 643 3.232 14.178 4.223 156 HG23 THR 643 HG23 THR 643 3.043 15.196 2.796 157 H ALA 644 HN ALA 644 7.270 12.196 3.370 158 HA ALA 644 HA ALA 644 5.885 9.815 3.918 159 HB1 ALA 644 HB1 ALA 644 8.581 10.664 4.955 160 HB2 ALA 644 HB2 ALA 644 8.283 9.931 3.380 161 HB3 ALA 644 HB3 ALA 644 7.963 9.016 4.853 162 H LEU 645 HN LEU 645 6.389 12.644 5.801 163 HA LEU 645 HA LEU 645 5.808 11.268 8.302 164 HB2 LEU 645 HB2 LEU 645 6.605 14.102 7.681 165 HB3 LEU 645 HB1 LEU 645 6.173 13.562 9.291 166 HG LEU 645 HG LEU 645 8.448 12.405 7.679 167 HD11 LEU 645 HD11 LEU 645 9.911 13.690 9.141 168 HD12 LEU 645 HD12 LEU 645 8.508 14.439 9.901 169 HD13 LEU 645 HD13 LEU 645 8.862 14.751 8.203 170 HD21 LEU 645 HD21 LEU 645 9.136 11.492 9.865 171 HD22 LEU 645 HD22 LEU 645 7.581 10.861 9.327 172 HD23 LEU 645 HD23 LEU 645 7.644 12.110 10.571 173 H GLU 646 HN GLU 646 3.855 12.088 5.953 174 HA GLU 646 HA GLU 646 1.956 13.838 7.053 175 HB2 GLU 646 HB2 GLU 646 2.165 12.575 4.672 176 HB3 GLU 646 HB1 GLU 646 0.944 11.570 5.433 177 HG2 GLU 646 HG2 GLU 646 0.791 14.531 4.924 178 HG3 GLU 646 HG1 GLU 646 -0.125 13.262 4.116 179 H MET 647 HN MET 647 0.477 13.595 8.607 180 HA MET 647 HA MET 647 0.523 11.085 10.091 181 HB2 MET 647 HB2 MET 647 -0.623 13.793 10.808 182 HB3 MET 647 HB1 MET 647 -0.581 12.397 11.875 183 HG2 MET 647 HG2 MET 647 1.821 12.422 11.904 184 HG3 MET 647 HG1 MET 647 1.860 13.709 10.701 185 HE1 MET 647 HE1 MET 647 3.535 13.947 13.318 186 HE2 MET 647 HE2 MET 647 3.168 15.594 13.831 187 HE3 MET 647 HE3 MET 647 3.424 15.239 12.123 188 H THR 648 HN THR 648 -0.723 10.318 8.077 189 HA THR 648 HA THR 648 -3.536 10.955 8.053 190 HB THR 648 HB THR 648 -2.444 8.600 6.580 191 HG1 THR 648 HG1 THR 648 -1.864 11.338 5.952 192 HG21 THR 648 HG21 THR 648 -4.288 10.860 5.792 193 HG22 THR 648 HG22 THR 648 -4.795 9.260 6.333 194 HG23 THR 648 HG23 THR 648 -3.915 9.440 4.815 195 H ASP 649 HN ASP 649 -3.934 10.320 10.286 196 HA ASP 649 HA ASP 649 -3.726 7.480 10.904 197 HB2 ASP 649 HB2 ASP 649 -3.155 9.208 12.620 198 HB3 ASP 649 HB1 ASP 649 -4.841 9.715 12.615 199 H CYS 650 HN CYS 650 -5.226 6.944 9.153 200 HA CYS 650 HA CYS 650 -8.004 7.693 9.528 201 HB2 CYS 650 HB2 CYS 650 -8.308 6.190 7.478 202 HB3 CYS 650 HB1 CYS 650 -7.352 7.649 7.255 203 HG CYS 650 HG CYS 650 -5.024 6.504 6.770 204 H ASP 651 HN ASP 651 -7.306 6.439 11.740 205 HA ASP 651 HA ASP 651 -8.176 3.647 11.434 206 HB2 ASP 651 HB2 ASP 651 -6.060 3.689 12.516 207 HB3 ASP 651 HB1 ASP 651 -6.552 4.999 13.587 208 H GLU 652 HN GLU 652 -10.172 3.178 12.001 209 HA GLU 652 HA GLU 652 -11.386 4.646 14.237 210 HB2 GLU 652 HB2 GLU 652 -12.775 3.651 11.741 211 HB3 GLU 652 HB1 GLU 652 -13.587 4.357 13.130 212 HG2 GLU 652 HG2 GLU 652 -12.357 6.456 12.743 213 HG3 GLU 652 HG1 GLU 652 -11.633 5.738 11.305 214 H GLY 653 HN GLY 653 -9.875 2.404 14.599 215 HA2 GLY 653 HA2 GLY 653 -10.177 0.513 15.965 216 HA3 GLY 653 HA1 GLY 653 -11.868 0.463 15.484 217 H GLY 654 HN GLY 654 -8.933 0.584 13.493 218 HA2 GLY 654 HA2 GLY 654 -8.042 -0.988 12.059 219 HA3 GLY 654 HA1 GLY 654 -9.184 -2.165 12.689 220 H GLU 655 HN GLU 655 -8.989 -2.572 10.226 221 HA GLU 655 HA GLU 655 -11.310 -1.273 8.989 222 HB2 GLU 655 HB2 GLU 655 -9.166 -0.365 8.060 223 HB3 GLU 655 HB1 GLU 655 -8.757 -1.989 7.534 224 HG2 GLU 655 HG2 GLU 655 -10.627 -2.022 6.020 225 HG3 GLU 655 HG1 GLU 655 -11.183 -0.461 6.622 226 H TYR 656 HN TYR 656 -12.179 -3.233 10.034 227 HA TYR 656 HA TYR 656 -11.535 -5.791 8.858 228 HB2 TYR 656 HB2 TYR 656 -13.670 -5.027 10.861 229 HB3 TYR 656 HB1 TYR 656 -13.237 -6.669 10.410 230 HD1 TYR 656 HD1 TYR 656 -12.300 -3.736 12.356 231 HD2 TYR 656 HD2 TYR 656 -11.106 -7.638 11.153 232 HE1 TYR 656 HE1 TYR 656 -10.609 -3.762 14.140 233 HE2 TYR 656 HE2 TYR 656 -9.411 -7.674 12.936 234 HH TYR 656 HH TYR 656 -9.334 -5.364 15.450 235 H ASP 657 HN ASP 657 -12.253 -6.110 6.852 236 HA ASP 657 HA ASP 657 -15.113 -5.917 6.355 237 HB2 ASP 657 HB2 ASP 657 -14.421 -3.820 5.475 238 HB3 ASP 657 HB1 ASP 657 -12.995 -4.524 4.729 239 H GLY 658 HN GLY 658 -15.870 -7.519 5.041 240 HA2 GLY 658 HA2 GLY 658 -13.900 -9.580 4.344 241 HA3 GLY 658 HA1 GLY 658 -15.617 -9.849 4.600 242 H MET 659 HN MET 659 -13.432 -8.056 2.463 243 HA MET 659 HA MET 659 -15.268 -7.858 0.319 244 HB2 MET 659 HB2 MET 659 -13.418 -7.050 -0.987 245 HB3 MET 659 HB1 MET 659 -13.293 -6.375 0.630 246 HG2 MET 659 HG2 MET 659 -11.763 -8.788 -0.302 247 HG3 MET 659 HG1 MET 659 -11.141 -7.141 -0.366 248 HE1 MET 659 HE1 MET 659 -9.016 -7.914 1.015 249 HE2 MET 659 HE2 MET 659 -9.641 -9.561 1.106 250 HE3 MET 659 HE3 MET 659 -9.099 -8.740 2.571 251 H GLN 660 HN GLN 660 -14.670 -8.737 -1.902 252 HA GLN 660 HA GLN 660 -14.675 -11.604 -1.757 253 HB2 GLN 660 HB2 GLN 660 -14.648 -9.760 -4.159 254 HB3 GLN 660 HB1 GLN 660 -14.972 -11.488 -4.199 255 HG2 GLN 660 HG2 GLN 660 -16.991 -11.204 -2.952 256 HG3 GLN 660 HG1 GLN 660 -16.636 -9.497 -2.683 257 HE21 GLN 660 HE21 GLN 660 -16.848 -8.047 -4.386 258 HE22 GLN 660 HE22 GLN 660 -17.767 -8.426 -5.802 259 H ASP 661 HN ASP 661 -13.182 -13.003 -2.699 260 HA ASP 661 HA ASP 661 -11.168 -13.825 -3.334 261 HB2 ASP 661 HB2 ASP 661 -10.620 -10.953 -4.084 262 HB3 ASP 661 HB1 ASP 661 -9.443 -12.240 -4.312 263 H GLU 662 HN GLU 662 -9.221 -14.289 -2.380 264 HA GLU 662 HA GLU 662 -8.836 -13.466 0.292 265 HB2 GLU 662 HB2 GLU 662 -6.860 -14.839 0.259 266 HB3 GLU 662 HB1 GLU 662 -8.093 -15.659 -0.684 267 HG2 GLU 662 HG2 GLU 662 -5.812 -14.050 -1.813 268 HG3 GLU 662 HG1 GLU 662 -5.868 -15.805 -1.696 269 HA PRO 663 HA PRO 663 -6.711 -9.692 -0.413 270 HB2 PRO 663 HB2 PRO 663 -5.165 -9.489 1.820 271 HB3 PRO 663 HB1 PRO 663 -6.909 -9.205 1.826 272 HG2 PRO 663 HG2 PRO 663 -5.385 -11.638 2.677 273 HG3 PRO 663 HG1 PRO 663 -6.808 -10.876 3.426 274 HD2 PRO 663 HD2 PRO 663 -6.971 -13.102 1.851 275 HD3 PRO 663 HD1 PRO 663 -8.280 -11.900 1.976 276 H ARG 664 HN ARG 664 -5.268 -9.716 -2.010 277 HA ARG 664 HA ARG 664 -2.900 -11.364 -1.861 278 HB2 ARG 664 HB2 ARG 664 -3.874 -9.481 -4.011 279 HB3 ARG 664 HB1 ARG 664 -2.502 -10.576 -4.164 280 HG2 ARG 664 HG2 ARG 664 -3.914 -12.492 -3.920 281 HG3 ARG 664 HG1 ARG 664 -5.302 -11.480 -3.537 282 HD2 ARG 664 HD2 ARG 664 -5.173 -10.519 -5.815 283 HD3 ARG 664 HD1 ARG 664 -3.863 -11.646 -6.177 284 HE ARG 664 HE ARG 664 -6.000 -13.146 -5.198 285 HH11 ARG 664 HH11 ARG 664 -5.284 -11.147 -7.988 286 HH12 ARG 664 HH12 ARG 664 -6.390 -11.987 -9.024 287 HH21 ARG 664 HH21 ARG 664 -7.431 -14.253 -6.557 288 HH22 ARG 664 HH22 ARG 664 -7.603 -13.768 -8.213 289 H TYR 665 HN TYR 665 -3.759 -8.132 -1.155 290 HA TYR 665 HA TYR 665 -1.306 -6.860 -1.662 291 HB2 TYR 665 HB2 TYR 665 -2.132 -5.120 -0.047 292 HB3 TYR 665 HB1 TYR 665 -3.224 -5.482 -1.379 293 HD1 TYR 665 HD1 TYR 665 -5.302 -6.748 -0.957 294 HD2 TYR 665 HD2 TYR 665 -2.762 -5.510 2.214 295 HE1 TYR 665 HE1 TYR 665 -7.133 -7.098 0.641 296 HE2 TYR 665 HE2 TYR 665 -4.589 -5.862 3.825 297 HH TYR 665 HH TYR 665 -7.005 -5.986 3.867 298 H MET 666 HN MET 666 -2.334 -8.916 0.921 299 HA MET 666 HA MET 666 -0.295 -8.160 2.769 300 HB2 MET 666 HB2 MET 666 -2.080 -10.580 2.529 301 HB3 MET 666 HB1 MET 666 -0.842 -10.454 3.780 302 HG2 MET 666 HG2 MET 666 -1.899 -8.537 4.734 303 HG3 MET 666 HG1 MET 666 -3.026 -8.420 3.385 304 HE1 MET 666 HE1 MET 666 -5.053 -8.260 5.122 305 HE2 MET 666 HE2 MET 666 -3.894 -8.370 6.447 306 HE3 MET 666 HE3 MET 666 -5.307 -9.425 6.420 307 H MET 667 HN MET 667 -0.590 -10.541 0.207 308 HA MET 667 HA MET 667 1.906 -11.813 0.690 309 HB2 MET 667 HB2 MET 667 0.177 -12.929 -0.610 310 HB3 MET 667 HB1 MET 667 0.201 -11.638 -1.802 311 HG2 MET 667 HG2 MET 667 2.496 -12.247 -2.404 312 HG3 MET 667 HG1 MET 667 2.450 -13.554 -1.223 313 HE1 MET 667 HE1 MET 667 -0.182 -13.402 -5.013 314 HE2 MET 667 HE2 MET 667 0.895 -12.106 -4.490 315 HE3 MET 667 HE3 MET 667 -0.567 -12.460 -3.573 316 H LEU 668 HN LEU 668 0.807 -9.236 -1.469 317 HA LEU 668 HA LEU 668 3.312 -8.736 -2.677 318 HB2 LEU 668 HB2 LEU 668 0.779 -7.176 -2.403 319 HB3 LEU 668 HB1 LEU 668 2.218 -6.358 -2.979 320 HG LEU 668 HG LEU 668 2.373 -7.935 -4.855 321 HD11 LEU 668 HD11 LEU 668 0.514 -9.451 -5.348 322 HD12 LEU 668 HD12 LEU 668 -0.204 -9.070 -3.784 323 HD13 LEU 668 HD13 LEU 668 1.352 -9.896 -3.862 324 HD21 LEU 668 HD21 LEU 668 -0.319 -6.616 -4.573 325 HD22 LEU 668 HD22 LEU 668 0.411 -7.150 -6.087 326 HD23 LEU 668 HD23 LEU 668 1.164 -5.857 -5.154 327 H ALA 669 HN ALA 669 1.882 -7.643 0.352 328 HA ALA 669 HA ALA 669 3.887 -5.623 0.793 329 HB1 ALA 669 HB1 ALA 669 1.650 -5.382 1.759 330 HB2 ALA 669 HB2 ALA 669 2.892 -5.408 3.011 331 HB3 ALA 669 HB3 ALA 669 1.906 -6.840 2.717 332 H ARG 670 HN ARG 670 3.334 -8.985 1.674 333 HA ARG 670 HA ARG 670 5.501 -9.295 3.447 334 HB2 ARG 670 HB2 ARG 670 3.759 -11.006 3.180 335 HB3 ARG 670 HB1 ARG 670 4.286 -11.297 1.529 336 HG2 ARG 670 HG2 ARG 670 6.454 -12.069 2.365 337 HG3 ARG 670 HG1 ARG 670 5.899 -11.808 4.020 338 HD2 ARG 670 HD2 ARG 670 5.651 -14.130 3.511 339 HD3 ARG 670 HD1 ARG 670 4.047 -13.406 3.576 340 HE ARG 670 HE ARG 670 5.179 -13.519 0.925 341 HH11 ARG 670 HH11 ARG 670 3.289 -15.201 3.343 342 HH12 ARG 670 HH12 ARG 670 2.531 -16.265 2.200 343 HH21 ARG 670 HH21 ARG 670 4.187 -14.928 -0.591 344 HH22 ARG 670 HH22 ARG 670 3.050 -16.118 -0.037 345 H GLU 671 HN GLU 671 5.223 -9.546 -0.077 346 HA GLU 671 HA GLU 671 7.897 -10.320 -0.580 347 HB2 GLU 671 HB2 GLU 671 5.886 -10.375 -2.170 348 HB3 GLU 671 HB1 GLU 671 6.162 -8.657 -2.405 349 HG2 GLU 671 HG2 GLU 671 7.194 -9.801 -4.201 350 HG3 GLU 671 HG1 GLU 671 8.477 -9.208 -3.151 351 H ALA 672 HN ALA 672 6.228 -7.191 -0.575 352 HA ALA 672 HA ALA 672 8.390 -5.531 -1.076 353 HB1 ALA 672 HB1 ALA 672 7.090 -3.758 -0.167 354 HB2 ALA 672 HB2 ALA 672 6.129 -4.874 0.801 355 HB3 ALA 672 HB3 ALA 672 5.973 -4.872 -0.952 356 H GLU 673 HN GLU 673 7.266 -6.888 1.997 357 HA GLU 673 HA GLU 673 9.088 -5.571 3.683 358 HB2 GLU 673 HB2 GLU 673 7.103 -6.798 4.491 359 HB3 GLU 673 HB1 GLU 673 7.842 -8.312 3.996 360 HG2 GLU 673 HG2 GLU 673 8.079 -8.043 6.364 361 HG3 GLU 673 HG1 GLU 673 9.662 -7.920 5.601 362 H MET 674 HN MET 674 9.275 -8.647 1.931 363 HA MET 674 HA MET 674 11.830 -9.369 2.949 364 HB2 MET 674 HB2 MET 674 10.376 -10.283 0.461 365 HB3 MET 674 HB1 MET 674 11.884 -10.981 1.032 366 HG2 MET 674 HG2 MET 674 10.686 -11.496 3.190 367 HG3 MET 674 HG1 MET 674 9.195 -11.051 2.363 368 HE1 MET 674 HE1 MET 674 8.269 -12.353 0.197 369 HE2 MET 674 HE2 MET 674 9.096 -13.729 -0.530 370 HE3 MET 674 HE3 MET 674 9.823 -12.124 -0.605 371 H LEU 675 HN LEU 675 10.794 -7.317 0.310 372 HA LEU 675 HA LEU 675 13.458 -7.190 -0.822 373 HB2 LEU 675 HB2 LEU 675 10.796 -6.064 -1.489 374 HB3 LEU 675 HB1 LEU 675 12.188 -5.126 -1.989 375 HG LEU 675 HG LEU 675 11.424 -6.524 -3.809 376 HD11 LEU 675 HD11 LEU 675 14.016 -7.528 -2.651 377 HD12 LEU 675 HD12 LEU 675 13.804 -6.101 -3.666 378 HD13 LEU 675 HD13 LEU 675 13.495 -7.708 -4.324 379 HD21 LEU 675 HD21 LEU 675 10.340 -8.286 -2.538 380 HD22 LEU 675 HD22 LEU 675 11.908 -8.859 -1.968 381 HD23 LEU 675 HD23 LEU 675 11.501 -8.962 -3.680 382 H PHE 676 HN PHE 676 11.553 -5.463 1.496 383 HA PHE 676 HA PHE 676 13.150 -3.071 1.368 384 HB2 PHE 676 HB2 PHE 676 10.741 -3.005 1.951 385 HB3 PHE 676 HB1 PHE 676 11.088 -3.901 3.429 386 HD1 PHE 676 HD1 PHE 676 11.189 -2.663 5.347 387 HD2 PHE 676 HD2 PHE 676 12.352 -0.848 1.679 388 HE1 PHE 676 HE1 PHE 676 11.607 -0.549 6.531 389 HE2 PHE 676 HE2 PHE 676 12.773 1.271 2.857 390 HZ PHE 676 HZ PHE 676 12.399 1.423 5.285 391 H THR 677 HN THR 677 12.602 -5.503 3.949 392 HA THR 677 HA THR 677 14.977 -4.521 5.296 393 HB THR 677 HB THR 677 14.306 -6.247 7.042 394 HG1 THR 677 HG1 THR 677 11.717 -6.292 6.090 395 HG21 THR 677 HG21 THR 677 12.513 -4.860 7.917 396 HG22 THR 677 HG22 THR 677 12.274 -4.136 6.328 397 HG23 THR 677 HG23 THR 677 13.771 -3.846 7.210 398 H GLY 678 HN GLY 678 14.155 -6.962 3.102 399 HA2 GLY 678 HA2 GLY 678 15.610 -8.390 1.992 400 HA3 GLY 678 HA1 GLY 678 16.861 -7.980 3.160 401 H GLY 679 HN GLY 679 16.626 -10.566 2.368 402 HA2 GLY 679 HA2 GLY 679 16.956 -12.370 3.997 403 HA3 GLY 679 HA1 GLY 679 15.481 -11.827 4.782 404 H TYR 680 HN TYR 680 15.539 -14.392 4.240 405 HA TYR 680 HA TYR 680 14.498 -16.124 3.207 406 HB2 TYR 680 HB2 TYR 680 12.668 -13.899 2.290 407 HB3 TYR 680 HB1 TYR 680 12.309 -15.614 2.110 408 HD1 TYR 680 HD1 TYR 680 11.833 -16.992 4.090 409 HD2 TYR 680 HD2 TYR 680 12.463 -12.799 4.413 410 HE1 TYR 680 HE1 TYR 680 10.819 -17.018 6.327 411 HE2 TYR 680 HE2 TYR 680 11.452 -12.817 6.655 412 HH TYR 680 HH TYR 680 9.802 -14.268 7.914 413 H GLY 681 HN GLY 681 16.647 -14.716 1.720 414 HA2 GLY 681 HA2 GLY 681 17.651 -15.430 -0.287 415 HA3 GLY 681 HA1 GLY 681 16.071 -15.938 -0.870 416 H LEU 682 HN LEU 682 15.496 -12.985 0.341 417 HA LEU 682 HA LEU 682 15.755 -11.759 -2.297 418 HB2 LEU 682 HB2 LEU 682 14.123 -11.071 0.133 419 HB3 LEU 682 HB1 LEU 682 14.325 -9.938 -1.185 420 HG LEU 682 HG LEU 682 12.208 -11.025 -1.427 421 HD11 LEU 682 HD11 LEU 682 14.105 -12.230 -3.428 422 HD12 LEU 682 HD12 LEU 682 13.488 -10.580 -3.479 423 HD13 LEU 682 HD13 LEU 682 12.380 -11.940 -3.640 424 HD21 LEU 682 HD21 LEU 682 13.683 -13.649 -1.405 425 HD22 LEU 682 HD22 LEU 682 11.954 -13.424 -1.671 426 HD23 LEU 682 HD23 LEU 682 12.663 -13.028 -0.106 427 H GLU 683 HN GLU 683 17.102 -10.115 -2.713 428 HA GLU 683 HA GLU 683 18.711 -9.031 -0.534 429 HB2 GLU 683 HB2 GLU 683 19.855 -9.726 -2.604 430 HB3 GLU 683 HB1 GLU 683 18.892 -8.577 -3.522 431 HG2 GLU 683 HG2 GLU 683 21.157 -7.758 -3.066 432 HG3 GLU 683 HG1 GLU 683 19.911 -6.727 -2.359 433 H LYS 684 HN LYS 684 18.524 -6.974 0.195 434 HA LYS 684 HA LYS 684 15.977 -5.785 -0.200 435 HB2 LYS 684 HB2 LYS 684 16.605 -4.179 1.467 436 HB3 LYS 684 HB1 LYS 684 17.178 -5.760 1.974 437 HG2 LYS 684 HG2 LYS 684 19.440 -5.186 1.261 438 HG3 LYS 684 HG1 LYS 684 18.871 -3.607 0.713 439 HD2 LYS 684 HD2 LYS 684 18.738 -4.629 3.549 440 HD3 LYS 684 HD1 LYS 684 19.945 -3.506 2.923 441 HE2 LYS 684 HE2 LYS 684 16.966 -3.017 3.052 442 HE3 LYS 684 HE1 LYS 684 18.176 -2.325 4.131 443 HZ1 LYS 684 HZ1 LYS 684 17.683 -0.694 2.522 444 HZ2 LYS 684 HZ2 LYS 684 17.820 -1.792 1.239 445 HZ3 LYS 684 HZ3 LYS 684 19.198 -1.321 2.091 446 H ASP 685 HN ASP 685 15.339 -4.129 -1.370 447 HA ASP 685 HA ASP 685 17.257 -2.265 -2.523 448 HB2 ASP 685 HB2 ASP 685 17.106 -3.971 -4.272 449 HB3 ASP 685 HB1 ASP 685 15.342 -3.882 -4.231 450 HA PRO 686 HA PRO 686 13.859 0.093 -0.708 451 HB2 PRO 686 HB2 PRO 686 15.409 2.277 -2.026 452 HB3 PRO 686 HB1 PRO 686 14.775 2.182 -0.377 453 HG2 PRO 686 HG2 PRO 686 17.363 1.813 -0.844 454 HG3 PRO 686 HG1 PRO 686 16.507 0.817 0.353 455 HD2 PRO 686 HD2 PRO 686 17.402 0.110 -2.420 456 HD3 PRO 686 HD1 PRO 686 17.348 -0.899 -0.952 457 H GLN 687 HN GLN 687 14.934 0.354 -4.064 458 HA GLN 687 HA GLN 687 12.732 1.979 -4.886 459 HB2 GLN 687 HB2 GLN 687 15.020 1.748 -6.026 460 HB3 GLN 687 HB1 GLN 687 14.398 0.254 -6.709 461 HG2 GLN 687 HG2 GLN 687 12.942 2.850 -7.042 462 HG3 GLN 687 HG1 GLN 687 14.264 2.395 -8.108 463 HE21 GLN 687 HE21 GLN 687 13.643 -0.416 -8.138 464 HE22 GLN 687 HE22 GLN 687 12.208 -0.597 -9.082 465 H ARG 688 HN ARG 688 13.538 -1.477 -5.223 466 HA ARG 688 HA ARG 688 11.087 -2.151 -6.505 467 HB2 ARG 688 HB2 ARG 688 13.276 -3.468 -6.533 468 HB3 ARG 688 HB1 ARG 688 12.853 -4.013 -4.917 469 HG2 ARG 688 HG2 ARG 688 10.860 -5.082 -5.754 470 HG3 ARG 688 HG1 ARG 688 11.173 -4.458 -7.375 471 HD2 ARG 688 HD2 ARG 688 12.864 -6.414 -5.825 472 HD3 ARG 688 HD1 ARG 688 11.886 -6.760 -7.251 473 HE ARG 688 HE ARG 688 13.543 -4.853 -8.156 474 HH11 ARG 688 HH11 ARG 688 14.125 -7.847 -6.436 475 HH12 ARG 688 HH12 ARG 688 15.718 -8.058 -7.089 476 HH21 ARG 688 HH21 ARG 688 15.634 -5.124 -9.015 477 HH22 ARG 688 HH22 ARG 688 16.575 -6.509 -8.556 478 H SER 689 HN SER 689 12.219 -1.999 -3.197 479 HA SER 689 HA SER 689 10.111 -3.169 -1.842 480 HB2 SER 689 HB2 SER 689 11.555 -0.637 -1.024 481 HB3 SER 689 HB1 SER 689 10.691 -1.746 0.043 482 HG SER 689 HG SER 689 12.968 -2.426 -1.518 483 H GLY 690 HN GLY 690 10.393 0.277 -2.950 484 HA2 GLY 690 HA2 GLY 690 7.810 0.948 -2.029 485 HA3 GLY 690 HA1 GLY 690 8.803 1.862 -3.166 486 H ASP 691 HN ASP 691 9.071 -0.329 -5.067 487 HA ASP 691 HA ASP 691 6.771 0.093 -6.652 488 HB2 ASP 691 HB2 ASP 691 8.841 -0.661 -7.690 489 HB3 ASP 691 HB1 ASP 691 8.805 -2.157 -6.758 490 H LEU 692 HN LEU 692 7.720 -2.702 -4.652 491 HA LEU 692 HA LEU 692 5.299 -4.100 -5.149 492 HB2 LEU 692 HB2 LEU 692 7.684 -4.500 -3.483 493 HB3 LEU 692 HB1 LEU 692 6.212 -5.185 -2.828 494 HG LEU 692 HG LEU 692 7.456 -6.836 -4.110 495 HD11 LEU 692 HD11 LEU 692 5.000 -6.928 -3.996 496 HD12 LEU 692 HD12 LEU 692 5.643 -7.637 -5.476 497 HD13 LEU 692 HD13 LEU 692 4.915 -6.033 -5.514 498 HD21 LEU 692 HD21 LEU 692 8.564 -5.349 -5.694 499 HD22 LEU 692 HD22 LEU 692 7.015 -5.000 -6.461 500 HD23 LEU 692 HD23 LEU 692 7.687 -6.628 -6.534 501 H TYR 693 HN TYR 693 6.328 -1.864 -2.606 502 HA TYR 693 HA TYR 693 4.053 -2.305 -0.966 503 HB2 TYR 693 HB2 TYR 693 6.162 -0.201 -1.079 504 HB3 TYR 693 HB1 TYR 693 4.673 0.176 -0.214 505 HD1 TYR 693 HD1 TYR 693 3.881 -1.935 1.323 506 HD2 TYR 693 HD2 TYR 693 7.889 -0.968 0.270 507 HE1 TYR 693 HE1 TYR 693 4.687 -3.141 3.306 508 HE2 TYR 693 HE2 TYR 693 8.706 -2.173 2.248 509 HH TYR 693 HH TYR 693 7.887 -2.892 4.439 510 H THR 694 HN THR 694 4.666 -0.048 -3.638 511 HA THR 694 HA THR 694 2.175 1.319 -3.292 512 HB THR 694 HB THR 694 2.581 2.085 -5.706 513 HG1 THR 694 HG1 THR 694 5.173 1.006 -5.230 514 HG21 THR 694 HG21 THR 694 4.745 2.657 -3.681 515 HG22 THR 694 HG22 THR 694 3.153 3.411 -3.697 516 HG23 THR 694 HG23 THR 694 4.269 3.685 -5.032 517 H GLN 695 HN GLN 695 3.286 -1.415 -5.235 518 HA GLN 695 HA GLN 695 0.825 -1.796 -6.593 519 HB2 GLN 695 HB2 GLN 695 3.150 -3.616 -6.008 520 HB3 GLN 695 HB1 GLN 695 1.708 -4.201 -6.827 521 HG2 GLN 695 HG2 GLN 695 3.532 -1.994 -7.776 522 HG3 GLN 695 HG1 GLN 695 3.423 -3.628 -8.432 523 HE21 GLN 695 HE21 GLN 695 0.503 -3.688 -8.148 524 HE22 GLN 695 HE22 GLN 695 -0.127 -2.690 -9.415 525 H ALA 696 HN ALA 696 2.139 -2.997 -3.531 526 HA ALA 696 HA ALA 696 -0.009 -4.651 -2.844 527 HB1 ALA 696 HB1 ALA 696 0.789 -4.505 -0.571 528 HB2 ALA 696 HB2 ALA 696 1.749 -3.079 -0.967 529 HB3 ALA 696 HB3 ALA 696 2.162 -4.644 -1.670 530 H ALA 697 HN ALA 697 0.504 -1.139 -2.408 531 HA ALA 697 HA ALA 697 -1.841 -0.739 -0.878 532 HB1 ALA 697 HB1 ALA 697 0.055 0.869 -1.001 533 HB2 ALA 697 HB2 ALA 697 -1.516 1.604 -1.319 534 HB3 ALA 697 HB3 ALA 697 -0.425 1.244 -2.657 535 H GLU 698 HN GLU 698 -1.095 -0.750 -4.313 536 HA GLU 698 HA GLU 698 -3.583 0.118 -5.265 537 HB2 GLU 698 HB2 GLU 698 -1.629 -0.036 -6.710 538 HB3 GLU 698 HB1 GLU 698 -1.572 -1.779 -6.493 539 HG2 GLU 698 HG2 GLU 698 -3.668 -2.025 -7.670 540 HG3 GLU 698 HG1 GLU 698 -3.817 -0.274 -7.819 541 H ALA 699 HN ALA 699 -2.352 -3.135 -4.533 542 HA ALA 699 HA ALA 699 -4.747 -4.501 -5.190 543 HB1 ALA 699 HB1 ALA 699 -2.492 -5.307 -3.358 544 HB2 ALA 699 HB2 ALA 699 -2.609 -5.650 -5.082 545 HB3 ALA 699 HB3 ALA 699 -3.753 -6.381 -3.957 546 H ALA 700 HN ALA 700 -3.618 -2.833 -2.371 547 HA ALA 700 HA ALA 700 -5.530 -3.892 -0.530 548 HB1 ALA 700 HB1 ALA 700 -4.864 -2.081 0.942 549 HB2 ALA 700 HB2 ALA 700 -4.020 -1.287 -0.386 550 HB3 ALA 700 HB3 ALA 700 -3.445 -2.838 0.220 551 H MET 701 HN MET 701 -5.343 -0.868 -2.406 552 HA MET 701 HA MET 701 -7.908 0.034 -1.560 553 HB2 MET 701 HB2 MET 701 -7.656 1.810 -3.136 554 HB3 MET 701 HB1 MET 701 -6.075 1.517 -2.427 555 HG2 MET 701 HG2 MET 701 -5.437 0.241 -4.420 556 HG3 MET 701 HG1 MET 701 -7.010 0.592 -5.133 557 HE1 MET 701 HE1 MET 701 -5.963 1.644 -7.303 558 HE2 MET 701 HE2 MET 701 -4.367 1.220 -6.689 559 HE3 MET 701 HE3 MET 701 -4.677 2.849 -7.283 560 H GLU 702 HN GLU 702 -6.773 -2.039 -4.128 561 HA GLU 702 HA GLU 702 -9.172 -2.174 -5.624 562 HB2 GLU 702 HB2 GLU 702 -7.139 -3.117 -6.524 563 HB3 GLU 702 HB1 GLU 702 -6.989 -4.209 -5.157 564 HG2 GLU 702 HG2 GLU 702 -9.161 -5.246 -5.886 565 HG3 GLU 702 HG1 GLU 702 -9.026 -4.290 -7.361 566 H ALA 703 HN ALA 703 -7.974 -3.914 -2.815 567 HA ALA 703 HA ALA 703 -10.299 -5.619 -2.660 568 HB1 ALA 703 HB1 ALA 703 -8.088 -6.461 -2.035 569 HB2 ALA 703 HB2 ALA 703 -9.218 -6.554 -0.685 570 HB3 ALA 703 HB3 ALA 703 -8.004 -5.276 -0.732 571 H MET 704 HN MET 704 -10.303 -2.569 -2.291 572 HA MET 704 HA MET 704 -11.422 -1.002 -1.102 573 HB2 MET 704 HB2 MET 704 -12.984 -3.425 -0.180 574 HB3 MET 704 HB1 MET 704 -13.467 -1.761 0.119 575 HG2 MET 704 HG2 MET 704 -13.134 -3.032 -2.588 576 HG3 MET 704 HG1 MET 704 -14.663 -2.730 -1.767 577 HE1 MET 704 HE1 MET 704 -15.715 -0.367 -1.385 578 HE2 MET 704 HE2 MET 704 -14.900 1.153 -1.759 579 HE3 MET 704 HE3 MET 704 -14.289 0.118 -0.468 580 H LYS 705 HN LYS 705 -9.048 -1.758 -0.027 581 HA LYS 705 HA LYS 705 -9.564 -1.506 2.862 582 HB2 LYS 705 HB2 LYS 705 -7.222 -2.850 1.488 583 HB3 LYS 705 HB1 LYS 705 -7.367 -2.604 3.224 584 HG2 LYS 705 HG2 LYS 705 -9.340 -4.182 1.596 585 HG3 LYS 705 HG1 LYS 705 -7.959 -4.892 2.436 586 HD2 LYS 705 HD2 LYS 705 -8.836 -4.453 4.527 587 HD3 LYS 705 HD1 LYS 705 -9.862 -3.145 3.938 588 HE2 LYS 705 HE2 LYS 705 -10.263 -6.072 3.335 589 HE3 LYS 705 HE1 LYS 705 -11.146 -5.158 4.557 590 HZ1 LYS 705 HZ1 LYS 705 -12.511 -5.186 2.652 591 HZ2 LYS 705 HZ2 LYS 705 -11.223 -4.817 1.614 592 HZ3 LYS 705 HZ3 LYS 705 -11.816 -3.637 2.672 593 H GLY 706 HN GLY 706 -9.688 0.760 2.476 594 HA2 GLY 706 HA2 GLY 706 -7.702 2.241 1.142 595 HA3 GLY 706 HA1 GLY 706 -8.905 2.891 2.243 596 H ARG 707 HN ARG 707 -8.111 1.453 4.592 597 HA ARG 707 HA ARG 707 -6.070 3.231 5.465 598 HB2 ARG 707 HB2 ARG 707 -7.787 2.287 6.985 599 HB3 ARG 707 HB1 ARG 707 -7.027 0.705 6.827 600 HG2 ARG 707 HG2 ARG 707 -4.957 1.628 7.769 601 HG3 ARG 707 HG1 ARG 707 -5.762 3.182 7.973 602 HD2 ARG 707 HD2 ARG 707 -7.399 2.111 9.463 603 HD3 ARG 707 HD1 ARG 707 -6.528 0.585 9.291 604 HE ARG 707 HE ARG 707 -5.160 2.969 10.326 605 HH11 ARG 707 HH11 ARG 707 -6.285 -0.315 10.794 606 HH12 ARG 707 HH12 ARG 707 -5.350 -0.559 12.232 607 HH21 ARG 707 HH21 ARG 707 -3.917 2.640 12.208 608 HH22 ARG 707 HH22 ARG 707 -3.997 1.113 13.030 609 H LEU 708 HN LEU 708 -6.075 -0.214 4.651 610 HA LEU 708 HA LEU 708 -3.369 -0.732 5.239 611 HB2 LEU 708 HB2 LEU 708 -5.378 -2.006 3.413 612 HB3 LEU 708 HB1 LEU 708 -3.707 -2.513 3.347 613 HG LEU 708 HG LEU 708 -5.016 -4.026 4.727 614 HD11 LEU 708 HD11 LEU 708 -2.667 -3.655 5.281 615 HD12 LEU 708 HD12 LEU 708 -3.628 -4.036 6.707 616 HD13 LEU 708 HD13 LEU 708 -3.135 -2.372 6.397 617 HD21 LEU 708 HD21 LEU 708 -5.979 -3.294 6.854 618 HD22 LEU 708 HD22 LEU 708 -6.751 -2.501 5.481 619 HD23 LEU 708 HD23 LEU 708 -5.576 -1.623 6.460 620 H ALA 709 HN ALA 709 -4.981 0.237 2.258 621 HA ALA 709 HA ALA 709 -2.775 0.456 0.586 622 HB1 ALA 709 HB1 ALA 709 -5.226 2.208 0.592 623 HB2 ALA 709 HB2 ALA 709 -5.084 0.638 -0.202 624 HB3 ALA 709 HB3 ALA 709 -4.102 1.997 -0.751 625 H ASN 710 HN ASN 710 -4.191 2.898 2.743 626 HA ASN 710 HA ASN 710 -2.433 4.988 2.171 627 HB2 ASN 710 HB2 ASN 710 -4.480 5.314 3.461 628 HB3 ASN 710 HB1 ASN 710 -3.840 4.325 4.767 629 HD21 ASN 710 HD21 ASN 710 -1.999 6.722 2.952 630 HD22 ASN 710 HD22 ASN 710 -1.772 7.806 4.278 631 H GLN 711 HN GLN 711 -2.218 2.526 4.763 632 HA GLN 711 HA GLN 711 0.210 3.377 5.835 633 HB2 GLN 711 HB2 GLN 711 -1.194 1.777 6.990 634 HB3 GLN 711 HB1 GLN 711 -0.952 0.593 5.712 635 HG2 GLN 711 HG2 GLN 711 1.447 0.534 6.255 636 HG3 GLN 711 HG1 GLN 711 1.158 1.665 7.574 637 HE21 GLN 711 HE21 GLN 711 -1.103 -0.877 6.759 638 HE22 GLN 711 HE22 GLN 711 -0.820 -1.845 8.163 639 H TYR 712 HN TYR 712 -0.300 0.741 3.474 640 HA TYR 712 HA TYR 712 2.433 0.263 3.093 641 HB2 TYR 712 HB2 TYR 712 0.132 -0.308 1.221 642 HB3 TYR 712 HB1 TYR 712 1.777 -0.922 0.999 643 HD1 TYR 712 HD1 TYR 712 2.305 -1.376 4.005 644 HD2 TYR 712 HD2 TYR 712 -0.923 -2.441 1.458 645 HE1 TYR 712 HE1 TYR 712 1.783 -3.265 5.478 646 HE2 TYR 712 HE2 TYR 712 -1.456 -4.340 2.927 647 HH TYR 712 HH TYR 712 -0.136 -5.798 4.627 648 H TYR 713 HN TYR 713 0.322 2.620 1.530 649 HA TYR 713 HA TYR 713 2.278 3.399 -0.410 650 HB2 TYR 713 HB2 TYR 713 -0.222 3.904 -0.515 651 HB3 TYR 713 HB1 TYR 713 0.069 5.148 0.696 652 HD1 TYR 713 HD1 TYR 713 0.782 7.287 0.049 653 HD2 TYR 713 HD2 TYR 713 1.075 4.063 -2.709 654 HE1 TYR 713 HE1 TYR 713 1.401 8.872 -1.729 655 HE2 TYR 713 HE2 TYR 713 1.694 5.639 -4.495 656 HH TYR 713 HH TYR 713 2.582 8.866 -3.863 657 H GLN 714 HN GLN 714 1.439 4.388 2.858 658 HA GLN 714 HA GLN 714 3.226 6.524 3.182 659 HB2 GLN 714 HB2 GLN 714 1.677 6.256 4.918 660 HB3 GLN 714 HB1 GLN 714 1.989 4.533 5.061 661 HG2 GLN 714 HG2 GLN 714 4.203 5.028 6.002 662 HG3 GLN 714 HG1 GLN 714 3.838 6.749 5.911 663 HE21 GLN 714 HE21 GLN 714 1.042 6.358 6.665 664 HE22 GLN 714 HE22 GLN 714 1.048 6.034 8.362 665 H LYS 715 HN LYS 715 3.697 3.073 3.150 666 HA LYS 715 HA LYS 715 6.289 3.276 4.440 667 HB2 LYS 715 HB2 LYS 715 4.891 1.338 5.000 668 HB3 LYS 715 HB1 LYS 715 4.815 0.887 3.300 669 HG2 LYS 715 HG2 LYS 715 6.379 -0.537 4.460 670 HG3 LYS 715 HG1 LYS 715 7.229 0.480 3.298 671 HD2 LYS 715 HD2 LYS 715 8.496 0.359 5.345 672 HD3 LYS 715 HD1 LYS 715 7.878 1.997 5.143 673 HE2 LYS 715 HE2 LYS 715 7.633 1.277 7.456 674 HE3 LYS 715 HE1 LYS 715 6.048 1.476 6.708 675 HZ1 LYS 715 HZ1 LYS 715 5.985 -0.937 6.364 676 HZ2 LYS 715 HZ2 LYS 715 6.111 -0.536 8.001 677 HZ3 LYS 715 HZ3 LYS 715 7.469 -1.091 7.161 678 H ALA 716 HN ALA 716 4.836 2.884 1.286 679 HA ALA 716 HA ALA 716 7.198 2.379 -0.176 680 HB1 ALA 716 HB1 ALA 716 4.979 2.069 -1.140 681 HB2 ALA 716 HB2 ALA 716 5.923 3.201 -2.110 682 HB3 ALA 716 HB3 ALA 716 4.674 3.800 -1.021 683 H GLU 717 HN GLU 717 5.438 5.410 0.485 684 HA GLU 717 HA GLU 717 7.277 7.157 -0.645 685 HB2 GLU 717 HB2 GLU 717 5.045 7.865 -0.003 686 HB3 GLU 717 HB1 GLU 717 5.395 7.548 1.689 687 HG2 GLU 717 HG2 GLU 717 5.432 9.934 1.155 688 HG3 GLU 717 HG1 GLU 717 6.990 9.355 1.737 689 H GLU 718 HN GLU 718 7.036 5.923 2.682 690 HA GLU 718 HA GLU 718 9.236 7.317 3.726 691 HB2 GLU 718 HB2 GLU 718 7.505 6.110 5.052 692 HB3 GLU 718 HB1 GLU 718 8.228 4.592 4.546 693 HG2 GLU 718 HG2 GLU 718 10.291 5.167 5.682 694 HG3 GLU 718 HG1 GLU 718 9.614 6.727 6.147 695 H ALA 719 HN ALA 719 9.022 4.160 2.126 696 HA ALA 719 HA ALA 719 11.647 3.303 2.482 697 HB1 ALA 719 HB1 ALA 719 11.303 1.885 0.523 698 HB2 ALA 719 HB2 ALA 719 9.867 2.815 0.095 699 HB3 ALA 719 HB3 ALA 719 9.890 1.864 1.579 700 H TRP 720 HN TRP 720 10.267 5.111 -0.274 701 HA TRP 720 HA TRP 720 12.813 5.462 -1.517 702 HB2 TRP 720 HB2 TRP 720 10.191 6.900 -1.960 703 HB3 TRP 720 HB1 TRP 720 11.630 7.163 -2.937 704 HD1 TRP 720 HD1 TRP 720 12.469 4.036 -3.212 705 HE1 TRP 720 HE1 TRP 720 11.083 2.545 -4.791 706 HE3 TRP 720 HE3 TRP 720 8.174 6.822 -3.439 707 HZ2 TRP 720 HZ2 TRP 720 8.532 2.550 -5.977 708 HZ3 TRP 720 HZ3 TRP 720 6.316 6.007 -4.823 709 HH2 TRP 720 HH2 TRP 720 6.492 3.916 -6.069 710 H ALA 721 HN ALA 721 10.930 7.402 0.737 711 HA ALA 721 HA ALA 721 12.427 9.784 0.432 712 HB1 ALA 721 HB1 ALA 721 10.776 8.873 2.782 713 HB2 ALA 721 HB2 ALA 721 10.183 9.774 1.388 714 HB3 ALA 721 HB3 ALA 721 11.343 10.516 2.489 715 H GLN 722 HN GLN 722 12.778 6.975 2.550 716 HA GLN 722 HA GLN 722 14.864 8.298 4.062 717 HB2 GLN 722 HB2 GLN 722 13.252 6.730 5.123 718 HB3 GLN 722 HB1 GLN 722 13.945 5.421 4.176 719 HG2 GLN 722 HG2 GLN 722 16.086 5.735 5.271 720 HG3 GLN 722 HG1 GLN 722 15.431 7.086 6.194 721 HE21 GLN 722 HE21 GLN 722 12.839 5.735 6.562 722 HE22 GLN 722 HE22 GLN 722 13.116 4.526 7.769 723 H MET 723 HN MET 723 14.719 5.308 2.107 724 HA MET 723 HA MET 723 16.455 3.931 1.448 725 HB2 MET 723 HB2 MET 723 17.104 6.548 0.085 726 HB3 MET 723 HB1 MET 723 17.800 4.999 -0.367 727 HG2 MET 723 HG2 MET 723 15.449 4.190 -0.761 728 HG3 MET 723 HG1 MET 723 14.935 5.865 -0.572 729 HE1 MET 723 HE1 MET 723 15.720 7.839 -2.197 730 HE2 MET 723 HE2 MET 723 16.813 7.598 -3.560 731 HE3 MET 723 HE3 MET 723 17.407 7.414 -1.910 732 H GLU 724 HN GLU 724 17.111 4.609 3.958 733 HA GLU 724 HA GLU 724 19.961 4.661 4.000 734 HB2 GLU 724 HB2 GLU 724 19.560 7.045 3.626 735 HB3 GLU 724 HB1 GLU 724 18.452 7.094 4.986 736 HG2 GLU 724 HG2 GLU 724 20.583 8.065 5.577 737 HG3 GLU 724 HG1 GLU 724 20.294 6.596 6.506 738 H GLU 725 HN GLU 725 19.248 2.690 5.033 739 HA GLU 725 HA GLU 725 18.283 3.091 7.771 740 HB2 GLU 725 HB2 GLU 725 17.657 0.713 7.745 741 HB3 GLU 725 HB1 GLU 725 16.858 1.617 6.473 742 HG2 GLU 725 HG2 GLU 725 19.279 -0.128 6.070 743 HG3 GLU 725 HG1 GLU 725 17.617 -0.644 5.807 Start of MODEL 6 1 H1 GLY 623 HT1 GLY 623 -17.714 -9.057 18.360 2 H2 GLY 623 HT2 GLY 623 -19.123 -8.499 19.104 3 H3 GLY 623 HT3 GLY 623 -17.839 -9.064 20.046 4 HA2 GLY 623 HA1 GLY 623 -17.919 -6.662 20.096 5 HA3 GLY 623 HA2 GLY 623 -16.450 -7.241 19.323 6 H SER 624 HN SER 624 -17.245 -4.697 18.871 7 HA SER 624 HA SER 624 -18.879 -4.479 16.533 8 HB2 SER 624 HB2 SER 624 -16.981 -2.435 17.705 9 HB3 SER 624 HB1 SER 624 -18.334 -2.123 16.619 10 HG SER 624 HG SER 624 -19.074 -1.688 18.642 11 H HIS 625 HN HIS 625 -18.265 -4.792 14.499 12 HA HIS 625 HA HIS 625 -15.388 -4.770 13.897 13 HB2 HIS 625 HB2 HIS 625 -15.878 -6.212 11.968 14 HB3 HIS 625 HB1 HIS 625 -16.443 -6.949 13.459 15 HD1 HIS 625 HD1 HIS 625 -17.564 -5.837 10.129 16 HD2 HIS 625 HD2 HIS 625 -19.310 -6.936 13.742 17 HE1 HIS 625 HE1 HIS 625 -19.976 -6.297 9.605 18 HE2 HIS 625 HE2 HIS 625 -21.050 -6.746 11.838 19 H MET 626 HN MET 626 -14.861 -2.813 13.210 20 HA MET 626 HA MET 626 -16.691 -1.239 11.625 21 HB2 MET 626 HB2 MET 626 -13.855 -0.725 12.524 22 HB3 MET 626 HB1 MET 626 -14.815 0.419 11.598 23 HG2 MET 626 HG2 MET 626 -15.468 -0.627 14.340 24 HG3 MET 626 HG1 MET 626 -14.828 0.969 13.957 25 HE1 MET 626 HE1 MET 626 -17.818 2.581 11.988 26 HE2 MET 626 HE2 MET 626 -16.500 1.657 11.269 27 HE3 MET 626 HE3 MET 626 -16.168 2.798 12.571 28 H SER 627 HN SER 627 -16.742 -2.993 9.974 29 HA SER 627 HA SER 627 -14.550 -3.487 8.277 30 HB2 SER 627 HB2 SER 627 -17.488 -3.537 7.522 31 HB3 SER 627 HB1 SER 627 -16.173 -4.404 6.732 32 HG SER 627 HG SER 627 -16.120 -5.836 8.311 33 HA PRO 628 HA PRO 628 -14.171 0.459 6.398 34 HB2 PRO 628 HB2 PRO 628 -12.546 -0.190 4.337 35 HB3 PRO 628 HB1 PRO 628 -11.997 -0.152 6.015 36 HG2 PRO 628 HG2 PRO 628 -12.780 -2.488 4.329 37 HG3 PRO 628 HG1 PRO 628 -11.436 -2.333 5.474 38 HD2 PRO 628 HD2 PRO 628 -13.778 -3.597 6.070 39 HD3 PRO 628 HD1 PRO 628 -12.761 -2.798 7.283 40 H ASP 629 HN ASP 629 -16.596 0.019 5.822 41 HA ASP 629 HA ASP 629 -17.198 -0.460 3.073 42 HB2 ASP 629 HB2 ASP 629 -18.809 1.027 5.164 43 HB3 ASP 629 HB1 ASP 629 -19.412 0.503 3.597 44 H ARG 630 HN ARG 630 -16.506 2.372 5.008 45 HA ARG 630 HA ARG 630 -16.558 4.039 2.592 46 HB2 ARG 630 HB2 ARG 630 -17.901 4.917 4.418 47 HB3 ARG 630 HB1 ARG 630 -16.538 4.795 5.519 48 HG2 ARG 630 HG2 ARG 630 -15.329 6.452 4.136 49 HG3 ARG 630 HG1 ARG 630 -16.779 6.629 3.148 50 HD2 ARG 630 HD2 ARG 630 -18.016 7.511 4.971 51 HD3 ARG 630 HD1 ARG 630 -16.751 7.079 6.123 52 HE ARG 630 HE ARG 630 -15.477 8.742 4.409 53 HH11 ARG 630 HH11 ARG 630 -18.433 9.040 6.278 54 HH12 ARG 630 HH12 ARG 630 -18.314 10.766 6.414 55 HH21 ARG 630 HH21 ARG 630 -15.317 10.990 4.596 56 HH22 ARG 630 HH22 ARG 630 -16.529 11.874 5.477 57 H CYS 631 HN CYS 631 -14.592 3.353 1.740 58 HA CYS 631 HA CYS 631 -12.234 4.219 3.271 59 HB2 CYS 631 HB2 CYS 631 -11.048 2.354 1.924 60 HB3 CYS 631 HB1 CYS 631 -12.033 1.893 3.308 61 HG CYS 631 HG CYS 631 -13.744 0.427 2.049 62 H GLN 632 HN GLN 632 -13.200 6.142 1.862 63 HA GLN 632 HA GLN 632 -11.556 6.232 -0.572 64 HB2 GLN 632 HB2 GLN 632 -14.424 7.082 -0.265 65 HB3 GLN 632 HB1 GLN 632 -13.408 7.660 -1.578 66 HG2 GLN 632 HG2 GLN 632 -14.044 4.771 -1.017 67 HG3 GLN 632 HG1 GLN 632 -14.834 5.772 -2.234 68 HE21 GLN 632 HE21 GLN 632 -13.287 3.315 -2.542 69 HE22 GLN 632 HE22 GLN 632 -11.995 3.701 -3.627 70 H ASP 633 HN ASP 633 -11.664 7.404 2.352 71 HA ASP 633 HA ASP 633 -11.540 10.249 1.677 72 HB2 ASP 633 HB2 ASP 633 -11.442 8.874 4.370 73 HB3 ASP 633 HB1 ASP 633 -11.460 10.616 4.118 74 H TRP 634 HN TRP 634 -9.519 7.584 2.301 75 HA TRP 634 HA TRP 634 -7.221 8.885 3.292 76 HB2 TRP 634 HB2 TRP 634 -6.029 6.830 2.624 77 HB3 TRP 634 HB1 TRP 634 -7.513 6.474 3.497 78 HD1 TRP 634 HD1 TRP 634 -9.621 5.605 1.963 79 HE1 TRP 634 HE1 TRP 634 -9.619 4.211 -0.197 80 HE3 TRP 634 HE3 TRP 634 -4.764 6.330 0.548 81 HZ2 TRP 634 HZ2 TRP 634 -7.792 3.521 -2.233 82 HZ3 TRP 634 HZ3 TRP 634 -3.968 5.266 -1.519 83 HH2 TRP 634 HH2 TRP 634 -5.449 3.888 -2.881 84 H LEU 635 HN LEU 635 -8.652 8.819 0.208 85 HA LEU 635 HA LEU 635 -6.459 9.144 -1.487 86 HB2 LEU 635 HB2 LEU 635 -9.293 10.118 -1.639 87 HB3 LEU 635 HB1 LEU 635 -8.132 10.540 -2.878 88 HG LEU 635 HG LEU 635 -9.440 8.684 -3.647 89 HD11 LEU 635 HD11 LEU 635 -7.034 8.705 -4.194 90 HD12 LEU 635 HD12 LEU 635 -7.735 7.090 -4.178 91 HD13 LEU 635 HD13 LEU 635 -6.744 7.631 -2.826 92 HD21 LEU 635 HD21 LEU 635 -8.575 7.216 -1.164 93 HD22 LEU 635 HD22 LEU 635 -9.526 6.547 -2.492 94 HD23 LEU 635 HD23 LEU 635 -10.194 7.837 -1.490 95 H GLU 636 HN GLU 636 -7.926 11.336 0.764 96 HA GLU 636 HA GLU 636 -6.870 13.751 -0.259 97 HB2 GLU 636 HB2 GLU 636 -8.689 13.596 1.433 98 HB3 GLU 636 HB1 GLU 636 -7.505 13.049 2.610 99 HG2 GLU 636 HG2 GLU 636 -7.998 15.402 2.906 100 HG3 GLU 636 HG1 GLU 636 -6.321 15.169 2.418 101 H ALA 637 HN ALA 637 -5.578 11.232 1.791 102 HA ALA 637 HA ALA 637 -3.236 12.601 2.624 103 HB1 ALA 637 HB1 ALA 637 -4.092 10.620 3.780 104 HB2 ALA 637 HB2 ALA 637 -2.418 10.400 3.267 105 HB3 ALA 637 HB3 ALA 637 -3.725 9.639 2.359 106 H LEU 638 HN LEU 638 -4.006 10.451 -0.061 107 HA LEU 638 HA LEU 638 -1.370 10.596 -1.202 108 HB2 LEU 638 HB2 LEU 638 -3.976 9.420 -2.007 109 HB3 LEU 638 HB1 LEU 638 -2.816 9.754 -3.275 110 HG LEU 638 HG LEU 638 -1.165 8.328 -2.114 111 HD11 LEU 638 HD11 LEU 638 -3.455 7.717 -0.254 112 HD12 LEU 638 HD12 LEU 638 -1.953 8.541 0.167 113 HD13 LEU 638 HD13 LEU 638 -1.925 6.844 -0.314 114 HD21 LEU 638 HD21 LEU 638 -3.808 7.013 -2.714 115 HD22 LEU 638 HD22 LEU 638 -2.243 6.203 -2.654 116 HD23 LEU 638 HD23 LEU 638 -2.558 7.422 -3.888 117 H HIS 639 HN HIS 639 -3.911 12.734 -1.043 118 HA HIS 639 HA HIS 639 -3.864 13.846 -3.650 119 HB2 HIS 639 HB2 HIS 639 -5.770 14.057 -2.099 120 HB3 HIS 639 HB1 HIS 639 -4.791 15.062 -1.042 121 HD1 HIS 639 HD1 HIS 639 -6.336 17.059 -1.232 122 HD2 HIS 639 HD2 HIS 639 -4.863 15.757 -4.900 123 HE1 HIS 639 HE1 HIS 639 -6.935 18.863 -2.890 124 HE2 HIS 639 HE2 HIS 639 -6.126 18.001 -5.117 125 H TRP 640 HN TRP 640 -2.145 14.616 -0.647 126 HA TRP 640 HA TRP 640 -0.776 16.766 -2.074 127 HB2 TRP 640 HB2 TRP 640 0.089 17.483 0.109 128 HB3 TRP 640 HB1 TRP 640 -1.664 17.409 0.084 129 HD1 TRP 640 HD1 TRP 640 -2.652 14.959 1.202 130 HE1 TRP 640 HE1 TRP 640 -1.885 13.860 3.402 131 HE3 TRP 640 HE3 TRP 640 1.913 17.215 1.693 132 HZ2 TRP 640 HZ2 TRP 640 0.352 13.946 5.116 133 HZ3 TRP 640 HZ3 TRP 640 3.299 16.653 3.646 134 HH2 TRP 640 HH2 TRP 640 2.534 15.054 5.321 135 H TYR 641 HN TYR 641 -0.183 13.622 -0.693 136 HA TYR 641 HA TYR 641 1.579 12.198 -0.778 137 HB2 TYR 641 HB2 TYR 641 1.980 13.879 -3.207 138 HB3 TYR 641 HB1 TYR 641 3.290 12.811 -2.723 139 HD1 TYR 641 HD1 TYR 641 1.884 10.441 -1.773 140 HD2 TYR 641 HD2 TYR 641 1.011 12.949 -5.095 141 HE1 TYR 641 HE1 TYR 641 0.737 8.568 -2.880 142 HE2 TYR 641 HE2 TYR 641 -0.132 11.085 -6.211 143 HH TYR 641 HH TYR 641 -1.086 8.309 -4.652 144 H ASN 642 HN ASN 642 4.235 12.409 -1.280 145 HA ASN 642 HA ASN 642 6.202 12.852 -0.242 146 HB2 ASN 642 HB2 ASN 642 5.818 15.089 -1.320 147 HB3 ASN 642 HB1 ASN 642 5.100 15.636 0.191 148 HD21 ASN 642 HD21 ASN 642 6.425 16.043 1.956 149 HD22 ASN 642 HD22 ASN 642 8.148 16.130 1.823 150 H THR 643 HN THR 643 5.482 11.367 1.376 151 HA THR 643 HA THR 643 5.299 12.589 4.005 152 HB THR 643 HB THR 643 2.967 12.421 3.397 153 HG1 THR 643 HG1 THR 643 4.004 10.746 5.369 154 HG21 THR 643 HG21 THR 643 3.491 9.505 2.829 155 HG22 THR 643 HG22 THR 643 3.090 10.749 1.645 156 HG23 THR 643 HG23 THR 643 1.903 10.272 2.859 157 H ALA 644 HN ALA 644 7.521 11.510 3.368 158 HA ALA 644 HA ALA 644 7.637 8.660 3.695 159 HB1 ALA 644 HB1 ALA 644 9.234 9.836 2.266 160 HB2 ALA 644 HB2 ALA 644 10.049 8.937 3.546 161 HB3 ALA 644 HB3 ALA 644 9.867 10.688 3.673 162 H LEU 645 HN LEU 645 8.750 11.437 5.636 163 HA LEU 645 HA LEU 645 9.040 9.651 7.929 164 HB2 LEU 645 HB2 LEU 645 9.875 12.523 7.538 165 HB3 LEU 645 HB1 LEU 645 10.108 11.621 9.022 166 HG LEU 645 HG LEU 645 11.369 11.003 6.349 167 HD11 LEU 645 HD11 LEU 645 12.356 12.933 7.419 168 HD12 LEU 645 HD12 LEU 645 13.459 11.562 7.509 169 HD13 LEU 645 HD13 LEU 645 12.529 12.040 8.928 170 HD21 LEU 645 HD21 LEU 645 12.653 9.306 7.609 171 HD22 LEU 645 HD22 LEU 645 10.933 8.937 7.511 172 HD23 LEU 645 HD23 LEU 645 11.610 9.591 9.002 173 H GLU 646 HN GLU 646 7.097 12.266 6.721 174 HA GLU 646 HA GLU 646 5.643 12.634 9.172 175 HB2 GLU 646 HB2 GLU 646 5.842 14.400 7.405 176 HB3 GLU 646 HB1 GLU 646 4.855 13.402 6.351 177 HG2 GLU 646 HG2 GLU 646 3.600 15.214 7.460 178 HG3 GLU 646 HG1 GLU 646 2.973 13.605 7.815 179 H MET 647 HN MET 647 3.463 11.919 9.531 180 HA MET 647 HA MET 647 2.925 9.393 8.116 181 HB2 MET 647 HB2 MET 647 3.455 9.113 10.489 182 HB3 MET 647 HB1 MET 647 2.166 10.227 10.921 183 HG2 MET 647 HG2 MET 647 1.478 7.940 11.290 184 HG3 MET 647 HG1 MET 647 0.514 8.681 10.015 185 HE1 MET 647 HE1 MET 647 4.213 7.294 9.725 186 HE2 MET 647 HE2 MET 647 3.892 5.624 9.256 187 HE3 MET 647 HE3 MET 647 3.422 6.197 10.857 188 H THR 648 HN THR 648 1.087 9.176 7.024 189 HA THR 648 HA THR 648 -0.887 11.313 7.144 190 HB THR 648 HB THR 648 -1.913 9.975 5.207 191 HG1 THR 648 HG1 THR 648 -0.798 8.322 4.405 192 HG21 THR 648 HG21 THR 648 -0.673 12.048 4.874 193 HG22 THR 648 HG22 THR 648 -0.318 10.895 3.589 194 HG23 THR 648 HG23 THR 648 0.847 11.154 4.888 195 H ASP 649 HN ASP 649 -1.593 10.663 9.306 196 HA ASP 649 HA ASP 649 -2.870 8.113 9.653 197 HB2 ASP 649 HB2 ASP 649 -2.786 10.581 11.385 198 HB3 ASP 649 HB1 ASP 649 -3.707 9.148 11.817 199 H CYS 650 HN CYS 650 -4.226 8.479 7.670 200 HA CYS 650 HA CYS 650 -6.594 10.102 8.135 201 HB2 CYS 650 HB2 CYS 650 -7.298 9.167 5.901 202 HB3 CYS 650 HB1 CYS 650 -5.788 10.074 5.873 203 HG CYS 650 HG CYS 650 -4.367 8.215 4.827 204 H ASP 651 HN ASP 651 -5.939 7.933 9.917 205 HA ASP 651 HA ASP 651 -7.727 5.744 9.413 206 HB2 ASP 651 HB2 ASP 651 -5.746 5.265 10.666 207 HB3 ASP 651 HB1 ASP 651 -6.078 6.564 11.806 208 H GLU 652 HN GLU 652 -9.766 6.600 9.199 209 HA GLU 652 HA GLU 652 -10.983 7.595 11.673 210 HB2 GLU 652 HB2 GLU 652 -11.378 8.779 8.918 211 HB3 GLU 652 HB1 GLU 652 -12.306 9.221 10.344 212 HG2 GLU 652 HG2 GLU 652 -10.327 10.092 11.412 213 HG3 GLU 652 HG1 GLU 652 -9.326 9.548 10.067 214 H GLY 653 HN GLY 653 -11.118 5.007 10.990 215 HA2 GLY 653 HA2 GLY 653 -13.935 4.665 10.378 216 HA3 GLY 653 HA1 GLY 653 -12.817 3.917 9.247 217 H GLY 654 HN GLY 654 -11.069 2.571 10.336 218 HA2 GLY 654 HA2 GLY 654 -10.872 1.358 12.637 219 HA3 GLY 654 HA1 GLY 654 -12.468 0.771 12.189 220 H GLU 655 HN GLU 655 -12.252 0.346 9.563 221 HA GLU 655 HA GLU 655 -11.577 -1.085 7.960 222 HB2 GLU 655 HB2 GLU 655 -8.973 -0.122 9.089 223 HB3 GLU 655 HB1 GLU 655 -8.999 -1.290 7.777 224 HG2 GLU 655 HG2 GLU 655 -8.723 1.034 7.014 225 HG3 GLU 655 HG1 GLU 655 -10.148 0.251 6.347 226 H TYR 656 HN TYR 656 -12.520 -2.392 10.119 227 HA TYR 656 HA TYR 656 -10.688 -4.630 10.564 228 HB2 TYR 656 HB2 TYR 656 -11.918 -3.674 12.521 229 HB3 TYR 656 HB1 TYR 656 -13.430 -4.174 11.770 230 HD1 TYR 656 HD1 TYR 656 -10.602 -5.196 13.749 231 HD2 TYR 656 HD2 TYR 656 -13.848 -6.657 11.418 232 HE1 TYR 656 HE1 TYR 656 -10.343 -7.409 14.784 233 HE2 TYR 656 HE2 TYR 656 -13.602 -8.872 12.455 234 HH TYR 656 HH TYR 656 -11.809 -10.187 13.560 235 H ASP 657 HN ASP 657 -10.695 -5.707 8.664 236 HA ASP 657 HA ASP 657 -13.225 -7.018 7.965 237 HB2 ASP 657 HB2 ASP 657 -12.786 -5.322 6.270 238 HB3 ASP 657 HB1 ASP 657 -11.162 -5.954 6.027 239 H GLY 658 HN GLY 658 -9.831 -7.183 6.940 240 HA2 GLY 658 HA2 GLY 658 -8.325 -8.906 6.952 241 HA3 GLY 658 HA1 GLY 658 -9.210 -9.538 8.333 242 H MET 659 HN MET 659 -9.958 -9.107 4.886 243 HA MET 659 HA MET 659 -11.399 -11.470 4.564 244 HB2 MET 659 HB2 MET 659 -11.422 -9.602 2.950 245 HB3 MET 659 HB1 MET 659 -9.764 -9.977 2.503 246 HG2 MET 659 HG2 MET 659 -10.540 -12.216 1.744 247 HG3 MET 659 HG1 MET 659 -12.196 -11.695 2.051 248 HE1 MET 659 HE1 MET 659 -9.093 -9.742 0.530 249 HE2 MET 659 HE2 MET 659 -9.408 -9.963 -1.191 250 HE3 MET 659 HE3 MET 659 -9.028 -11.357 -0.178 251 H GLN 660 HN GLN 660 -10.325 -13.185 5.549 252 HA GLN 660 HA GLN 660 -7.647 -13.864 4.660 253 HB2 GLN 660 HB2 GLN 660 -8.494 -14.033 7.076 254 HB3 GLN 660 HB1 GLN 660 -9.345 -15.478 6.547 255 HG2 GLN 660 HG2 GLN 660 -7.298 -16.568 5.987 256 HG3 GLN 660 HG1 GLN 660 -6.382 -15.088 6.259 257 HE21 GLN 660 HE21 GLN 660 -8.032 -17.750 7.747 258 HE22 GLN 660 HE22 GLN 660 -7.423 -17.492 9.345 259 H ASP 661 HN ASP 661 -9.210 -13.929 2.557 260 HA ASP 661 HA ASP 661 -9.744 -16.771 2.043 261 HB2 ASP 661 HB2 ASP 661 -11.612 -15.258 1.502 262 HB3 ASP 661 HB1 ASP 661 -10.562 -14.325 0.441 263 H GLU 662 HN GLU 662 -8.993 -14.533 -0.555 264 HA GLU 662 HA GLU 662 -6.177 -15.332 -0.367 265 HB2 GLU 662 HB2 GLU 662 -6.039 -15.244 -2.856 266 HB3 GLU 662 HB1 GLU 662 -7.055 -16.540 -2.244 267 HG2 GLU 662 HG2 GLU 662 -9.045 -15.231 -2.750 268 HG3 GLU 662 HG1 GLU 662 -8.032 -13.913 -3.339 269 HA PRO 663 HA PRO 663 -6.160 -10.764 -0.542 270 HB2 PRO 663 HB2 PRO 663 -4.525 -10.329 1.545 271 HB3 PRO 663 HB1 PRO 663 -6.257 -10.611 1.772 272 HG2 PRO 663 HG2 PRO 663 -3.969 -12.503 2.152 273 HG3 PRO 663 HG1 PRO 663 -5.437 -12.299 3.131 274 HD2 PRO 663 HD2 PRO 663 -5.074 -14.280 1.226 275 HD3 PRO 663 HD1 PRO 663 -6.657 -13.700 1.797 276 H ARG 664 HN ARG 664 -4.858 -10.276 -2.252 277 HA ARG 664 HA ARG 664 -2.258 -11.512 -2.452 278 HB2 ARG 664 HB2 ARG 664 -2.069 -10.505 -4.617 279 HB3 ARG 664 HB1 ARG 664 -3.677 -11.187 -4.452 280 HG2 ARG 664 HG2 ARG 664 -4.459 -8.863 -3.865 281 HG3 ARG 664 HG1 ARG 664 -2.871 -8.300 -4.393 282 HD2 ARG 664 HD2 ARG 664 -4.417 -8.105 -6.219 283 HD3 ARG 664 HD1 ARG 664 -3.263 -9.387 -6.578 284 HE ARG 664 HE ARG 664 -5.027 -10.981 -5.917 285 HH11 ARG 664 HH11 ARG 664 -5.921 -7.730 -6.817 286 HH12 ARG 664 HH12 ARG 664 -7.552 -8.144 -7.233 287 HH21 ARG 664 HH21 ARG 664 -7.160 -11.554 -6.468 288 HH22 ARG 664 HH22 ARG 664 -8.252 -10.339 -7.059 289 H TYR 665 HN TYR 665 -3.533 -8.522 -1.294 290 HA TYR 665 HA TYR 665 -1.227 -6.939 -1.726 291 HB2 TYR 665 HB2 TYR 665 -2.205 -5.337 -0.151 292 HB3 TYR 665 HB1 TYR 665 -3.381 -5.878 -1.340 293 HD1 TYR 665 HD1 TYR 665 -5.433 -6.830 -0.647 294 HD2 TYR 665 HD2 TYR 665 -2.306 -6.293 2.185 295 HE1 TYR 665 HE1 TYR 665 -6.979 -7.431 1.166 296 HE2 TYR 665 HE2 TYR 665 -3.853 -6.885 4.005 297 HH TYR 665 HH TYR 665 -6.966 -8.222 3.420 298 H MET 666 HN MET 666 -2.120 -9.192 0.767 299 HA MET 666 HA MET 666 -0.160 -8.359 2.663 300 HB2 MET 666 HB2 MET 666 -1.662 -10.961 2.318 301 HB3 MET 666 HB1 MET 666 -0.553 -10.653 3.653 302 HG2 MET 666 HG2 MET 666 -1.942 -8.827 4.424 303 HG3 MET 666 HG1 MET 666 -3.025 -9.034 3.048 304 HE1 MET 666 HE1 MET 666 -4.228 -8.917 5.922 305 HE2 MET 666 HE2 MET 666 -5.340 -10.285 5.873 306 HE3 MET 666 HE3 MET 666 -5.166 -9.239 4.463 307 H MET 667 HN MET 667 -0.250 -10.642 0.011 308 HA MET 667 HA MET 667 2.281 -11.837 0.512 309 HB2 MET 667 HB2 MET 667 0.560 -12.922 -0.875 310 HB3 MET 667 HB1 MET 667 0.680 -11.621 -2.049 311 HG2 MET 667 HG2 MET 667 3.064 -12.273 -2.410 312 HG3 MET 667 HG1 MET 667 2.774 -13.672 -1.379 313 HE1 MET 667 HE1 MET 667 0.392 -11.975 -4.085 314 HE2 MET 667 HE2 MET 667 0.826 -12.943 -5.493 315 HE3 MET 667 HE3 MET 667 2.028 -11.894 -4.740 316 H LEU 668 HN LEU 668 1.137 -9.262 -1.626 317 HA LEU 668 HA LEU 668 3.636 -8.711 -2.812 318 HB2 LEU 668 HB2 LEU 668 1.245 -6.901 -2.463 319 HB3 LEU 668 HB1 LEU 668 2.592 -6.593 -3.539 320 HG LEU 668 HG LEU 668 0.590 -8.842 -3.773 321 HD11 LEU 668 HD11 LEU 668 -0.327 -6.702 -4.426 322 HD12 LEU 668 HD12 LEU 668 -0.053 -7.707 -5.849 323 HD13 LEU 668 HD13 LEU 668 1.063 -6.397 -5.467 324 HD21 LEU 668 HD21 LEU 668 2.991 -8.186 -5.473 325 HD22 LEU 668 HD22 LEU 668 1.723 -9.328 -5.916 326 HD23 LEU 668 HD23 LEU 668 2.737 -9.642 -4.511 327 H ALA 669 HN ALA 669 2.082 -7.520 0.137 328 HA ALA 669 HA ALA 669 4.038 -5.459 0.557 329 HB1 ALA 669 HB1 ALA 669 1.788 -5.202 1.446 330 HB2 ALA 669 HB2 ALA 669 2.971 -5.206 2.754 331 HB3 ALA 669 HB3 ALA 669 2.000 -6.643 2.440 332 H ARG 670 HN ARG 670 3.561 -8.798 1.543 333 HA ARG 670 HA ARG 670 5.622 -8.922 3.464 334 HB2 ARG 670 HB2 ARG 670 3.929 -10.686 3.230 335 HB3 ARG 670 HB1 ARG 670 4.564 -11.090 1.642 336 HG2 ARG 670 HG2 ARG 670 6.644 -11.823 2.613 337 HG3 ARG 670 HG1 ARG 670 6.110 -11.313 4.214 338 HD2 ARG 670 HD2 ARG 670 4.313 -12.950 4.156 339 HD3 ARG 670 HD1 ARG 670 4.791 -13.435 2.529 340 HE ARG 670 HE ARG 670 7.046 -13.800 3.996 341 HH11 ARG 670 HH11 ARG 670 3.740 -14.888 4.372 342 HH12 ARG 670 HH12 ARG 670 4.183 -16.387 5.123 343 HH21 ARG 670 HH21 ARG 670 7.635 -15.770 4.999 344 HH22 ARG 670 HH22 ARG 670 6.399 -16.889 5.474 345 H GLU 671 HN GLU 671 5.558 -9.415 -0.041 346 HA GLU 671 HA GLU 671 8.282 -10.140 -0.283 347 HB2 GLU 671 HB2 GLU 671 6.708 -10.645 -2.058 348 HB3 GLU 671 HB1 GLU 671 6.346 -8.940 -2.272 349 HG2 GLU 671 HG2 GLU 671 8.419 -8.501 -3.244 350 HG3 GLU 671 HG1 GLU 671 9.111 -10.016 -2.671 351 H ALA 672 HN ALA 672 6.539 -7.068 -0.630 352 HA ALA 672 HA ALA 672 8.642 -5.369 -1.161 353 HB1 ALA 672 HB1 ALA 672 6.252 -4.733 -1.093 354 HB2 ALA 672 HB2 ALA 672 7.299 -3.600 -0.245 355 HB3 ALA 672 HB3 ALA 672 6.327 -4.753 0.666 356 H GLU 673 HN GLU 673 7.546 -6.546 2.006 357 HA GLU 673 HA GLU 673 9.390 -5.055 3.543 358 HB2 GLU 673 HB2 GLU 673 7.314 -6.176 4.403 359 HB3 GLU 673 HB1 GLU 673 8.148 -7.716 4.256 360 HG2 GLU 673 HG2 GLU 673 8.255 -7.021 6.528 361 HG3 GLU 673 HG1 GLU 673 9.867 -6.868 5.829 362 H MET 674 HN MET 674 9.530 -8.235 2.019 363 HA MET 674 HA MET 674 12.058 -8.937 3.167 364 HB2 MET 674 HB2 MET 674 10.571 -10.070 0.792 365 HB3 MET 674 HB1 MET 674 12.082 -10.725 1.401 366 HG2 MET 674 HG2 MET 674 10.900 -11.002 3.623 367 HG3 MET 674 HG1 MET 674 9.405 -10.665 2.752 368 HE1 MET 674 HE1 MET 674 8.480 -12.190 0.761 369 HE2 MET 674 HE2 MET 674 9.308 -13.631 0.174 370 HE3 MET 674 HE3 MET 674 10.023 -12.040 -0.082 371 H LEU 675 HN LEU 675 11.059 -7.038 0.465 372 HA LEU 675 HA LEU 675 13.670 -7.093 -0.805 373 HB2 LEU 675 HB2 LEU 675 11.001 -5.949 -1.414 374 HB3 LEU 675 HB1 LEU 675 12.377 -5.046 -2.013 375 HG LEU 675 HG LEU 675 11.450 -6.555 -3.706 376 HD11 LEU 675 HD11 LEU 675 13.545 -7.661 -4.343 377 HD12 LEU 675 HD12 LEU 675 14.201 -7.303 -2.747 378 HD13 LEU 675 HD13 LEU 675 13.783 -5.987 -3.845 379 HD21 LEU 675 HD21 LEU 675 12.286 -8.775 -1.851 380 HD22 LEU 675 HD22 LEU 675 11.677 -8.967 -3.492 381 HD23 LEU 675 HD23 LEU 675 10.628 -8.318 -2.232 382 H PHE 676 HN PHE 676 12.164 -5.501 1.732 383 HA PHE 676 HA PHE 676 13.352 -2.924 1.405 384 HB2 PHE 676 HB2 PHE 676 11.219 -3.298 2.601 385 HB3 PHE 676 HB1 PHE 676 12.090 -4.182 3.852 386 HD1 PHE 676 HD1 PHE 676 12.329 -3.006 5.797 387 HD2 PHE 676 HD2 PHE 676 12.510 -0.912 2.099 388 HE1 PHE 676 HE1 PHE 676 12.739 -0.906 7.006 389 HE2 PHE 676 HE2 PHE 676 12.913 1.190 3.302 390 HZ PHE 676 HZ PHE 676 12.911 1.201 5.787 391 H THR 677 HN THR 677 13.924 -5.519 3.820 392 HA THR 677 HA THR 677 16.578 -4.319 4.254 393 HB THR 677 HB THR 677 16.439 -5.562 6.485 394 HG1 THR 677 HG1 THR 677 13.753 -5.398 6.628 395 HG21 THR 677 HG21 THR 677 16.285 -3.163 6.385 396 HG22 THR 677 HG22 THR 677 15.059 -3.762 7.502 397 HG23 THR 677 HG23 THR 677 14.599 -3.255 5.878 398 H GLY 678 HN GLY 678 15.388 -6.703 2.524 399 HA2 GLY 678 HA2 GLY 678 16.470 -8.549 1.605 400 HA3 GLY 678 HA1 GLY 678 17.764 -8.331 2.780 401 H GLY 679 HN GLY 679 14.615 -9.726 2.209 402 HA2 GLY 679 HA2 GLY 679 14.417 -10.875 4.851 403 HA3 GLY 679 HA1 GLY 679 13.308 -11.121 3.514 404 H TYR 680 HN TYR 680 16.778 -11.746 3.893 405 HA TYR 680 HA TYR 680 18.046 -13.606 3.576 406 HB2 TYR 680 HB2 TYR 680 15.590 -14.782 4.878 407 HB3 TYR 680 HB1 TYR 680 17.020 -15.748 4.522 408 HD1 TYR 680 HD1 TYR 680 18.555 -16.012 6.204 409 HD2 TYR 680 HD2 TYR 680 16.165 -12.490 6.185 410 HE1 TYR 680 HE1 TYR 680 19.595 -15.302 8.311 411 HE2 TYR 680 HE2 TYR 680 17.204 -11.773 8.295 412 HH TYR 680 HH TYR 680 18.379 -12.702 10.180 413 H GLY 681 HN GLY 681 17.626 -13.085 1.224 414 HA2 GLY 681 HA2 GLY 681 17.765 -15.001 -0.498 415 HA3 GLY 681 HA1 GLY 681 16.063 -15.199 -0.100 416 H LEU 682 HN LEU 682 15.864 -12.215 0.251 417 HA LEU 682 HA LEU 682 15.577 -11.611 -2.604 418 HB2 LEU 682 HB2 LEU 682 14.168 -10.524 -0.175 419 HB3 LEU 682 HB1 LEU 682 14.051 -9.764 -1.746 420 HG LEU 682 HG LEU 682 12.083 -11.075 -1.402 421 HD11 LEU 682 HD11 LEU 682 13.880 -12.599 -3.277 422 HD12 LEU 682 HD12 LEU 682 13.040 -11.098 -3.663 423 HD13 LEU 682 HD13 LEU 682 12.117 -12.555 -3.298 424 HD21 LEU 682 HD21 LEU 682 12.110 -13.465 -0.968 425 HD22 LEU 682 HD22 LEU 682 12.932 -12.585 0.320 426 HD23 LEU 682 HD23 LEU 682 13.872 -13.447 -0.899 427 H GLU 683 HN GLU 683 16.701 -10.021 -3.504 428 HA GLU 683 HA GLU 683 18.868 -8.806 -2.158 429 HB2 GLU 683 HB2 GLU 683 18.899 -9.289 -4.557 430 HB3 GLU 683 HB1 GLU 683 17.578 -8.161 -4.819 431 HG2 GLU 683 HG2 GLU 683 19.018 -6.319 -4.115 432 HG3 GLU 683 HG1 GLU 683 20.343 -7.457 -3.862 433 H LYS 684 HN LYS 684 18.707 -7.207 -0.712 434 HA LYS 684 HA LYS 684 16.410 -5.674 -0.294 435 HB2 LYS 684 HB2 LYS 684 17.755 -4.242 1.163 436 HB3 LYS 684 HB1 LYS 684 18.091 -5.938 1.458 437 HG2 LYS 684 HG2 LYS 684 20.169 -5.783 0.247 438 HG3 LYS 684 HG1 LYS 684 19.817 -4.116 -0.208 439 HD2 LYS 684 HD2 LYS 684 19.976 -4.976 2.667 440 HD3 LYS 684 HD1 LYS 684 21.418 -4.520 1.757 441 HE2 LYS 684 HE2 LYS 684 18.984 -2.764 2.092 442 HE3 LYS 684 HE1 LYS 684 20.428 -2.664 3.099 443 HZ1 LYS 684 HZ1 LYS 684 21.712 -2.211 1.057 444 HZ2 LYS 684 HZ2 LYS 684 20.554 -1.020 1.386 445 HZ3 LYS 684 HZ3 LYS 684 20.268 -2.171 0.177 446 H ASP 685 HN ASP 685 15.558 -4.096 -1.364 447 HA ASP 685 HA ASP 685 17.165 -2.106 -2.718 448 HB2 ASP 685 HB2 ASP 685 16.957 -3.907 -4.417 449 HB3 ASP 685 HB1 ASP 685 15.201 -3.803 -4.283 450 HA PRO 686 HA PRO 686 13.612 -0.211 -0.536 451 HB2 PRO 686 HB2 PRO 686 15.175 2.138 -1.529 452 HB3 PRO 686 HB1 PRO 686 14.437 1.867 0.057 453 HG2 PRO 686 HG2 PRO 686 17.049 1.579 -0.243 454 HG3 PRO 686 HG1 PRO 686 16.133 0.418 0.739 455 HD2 PRO 686 HD2 PRO 686 17.223 0.112 -2.035 456 HD3 PRO 686 HD1 PRO 686 17.127 -1.086 -0.722 457 H GLN 687 HN GLN 687 14.830 0.421 -3.778 458 HA GLN 687 HA GLN 687 12.655 2.039 -4.633 459 HB2 GLN 687 HB2 GLN 687 14.820 2.008 -5.812 460 HB3 GLN 687 HB1 GLN 687 14.531 0.340 -6.290 461 HG2 GLN 687 HG2 GLN 687 14.041 1.810 -8.126 462 HG3 GLN 687 HG1 GLN 687 12.550 1.064 -7.552 463 HE21 GLN 687 HE21 GLN 687 11.192 2.645 -8.318 464 HE22 GLN 687 HE22 GLN 687 11.151 4.254 -7.681 465 H ARG 688 HN ARG 688 13.418 -1.426 -5.088 466 HA ARG 688 HA ARG 688 10.952 -2.008 -6.381 467 HB2 ARG 688 HB2 ARG 688 13.058 -3.381 -6.561 468 HB3 ARG 688 HB1 ARG 688 12.769 -3.930 -4.916 469 HG2 ARG 688 HG2 ARG 688 10.671 -4.944 -5.599 470 HG3 ARG 688 HG1 ARG 688 10.914 -4.366 -7.249 471 HD2 ARG 688 HD2 ARG 688 12.654 -6.322 -5.753 472 HD3 ARG 688 HD1 ARG 688 11.547 -6.700 -7.071 473 HE ARG 688 HE ARG 688 13.123 -4.963 -8.282 474 HH11 ARG 688 HH11 ARG 688 13.968 -7.626 -6.163 475 HH12 ARG 688 HH12 ARG 688 15.529 -7.868 -6.883 476 HH21 ARG 688 HH21 ARG 688 15.177 -5.291 -9.235 477 HH22 ARG 688 HH22 ARG 688 16.207 -6.551 -8.631 478 H SER 689 HN SER 689 12.101 -2.044 -3.062 479 HA SER 689 HA SER 689 9.993 -3.307 -1.800 480 HB2 SER 689 HB2 SER 689 12.092 -2.458 -0.702 481 HB3 SER 689 HB1 SER 689 11.400 -0.836 -0.769 482 HG SER 689 HG SER 689 10.394 -3.094 0.633 483 H GLY 690 HN GLY 690 10.255 0.185 -2.684 484 HA2 GLY 690 HA2 GLY 690 7.628 0.774 -1.754 485 HA3 GLY 690 HA1 GLY 690 8.646 1.796 -2.773 486 H ASP 691 HN ASP 691 9.004 -0.332 -4.752 487 HA ASP 691 HA ASP 691 6.819 0.280 -6.451 488 HB2 ASP 691 HB2 ASP 691 9.199 -0.427 -7.112 489 HB3 ASP 691 HB1 ASP 691 8.673 -2.081 -6.798 490 H LEU 692 HN LEU 692 7.626 -2.512 -4.444 491 HA LEU 692 HA LEU 692 5.307 -4.005 -5.231 492 HB2 LEU 692 HB2 LEU 692 7.527 -4.369 -3.311 493 HB3 LEU 692 HB1 LEU 692 6.023 -5.176 -2.922 494 HG LEU 692 HG LEU 692 7.633 -6.612 -4.126 495 HD11 LEU 692 HD11 LEU 692 5.244 -7.069 -4.180 496 HD12 LEU 692 HD12 LEU 692 6.016 -7.522 -5.699 497 HD13 LEU 692 HD13 LEU 692 5.070 -6.038 -5.600 498 HD21 LEU 692 HD21 LEU 692 8.631 -4.923 -5.577 499 HD22 LEU 692 HD22 LEU 692 7.101 -4.748 -6.435 500 HD23 LEU 692 HD23 LEU 692 7.988 -6.270 -6.514 501 H TYR 693 HN TYR 693 6.121 -1.836 -2.567 502 HA TYR 693 HA TYR 693 3.787 -2.357 -1.050 503 HB2 TYR 693 HB2 TYR 693 5.846 -0.203 -1.040 504 HB3 TYR 693 HB1 TYR 693 4.304 0.137 -0.244 505 HD1 TYR 693 HD1 TYR 693 3.498 -2.115 1.152 506 HD2 TYR 693 HD2 TYR 693 7.497 -0.855 0.445 507 HE1 TYR 693 HE1 TYR 693 4.233 -3.351 3.144 508 HE2 TYR 693 HE2 TYR 693 8.245 -2.095 2.424 509 HH TYR 693 HH TYR 693 7.303 -2.958 4.531 510 H THR 694 HN THR 694 4.469 -0.137 -3.689 511 HA THR 694 HA THR 694 1.976 1.242 -3.470 512 HB THR 694 HB THR 694 2.515 1.979 -5.859 513 HG1 THR 694 HG1 THR 694 5.120 1.031 -5.369 514 HG21 THR 694 HG21 THR 694 4.593 2.485 -3.722 515 HG22 THR 694 HG22 THR 694 3.049 3.326 -3.869 516 HG23 THR 694 HG23 THR 694 4.271 3.503 -5.127 517 H GLN 695 HN GLN 695 3.151 -1.539 -5.301 518 HA GLN 695 HA GLN 695 0.778 -1.953 -6.804 519 HB2 GLN 695 HB2 GLN 695 3.016 -3.794 -5.977 520 HB3 GLN 695 HB1 GLN 695 1.653 -4.347 -6.937 521 HG2 GLN 695 HG2 GLN 695 2.210 -2.711 -8.668 522 HG3 GLN 695 HG1 GLN 695 3.597 -2.182 -7.709 523 HE21 GLN 695 HE21 GLN 695 5.417 -3.485 -7.589 524 HE22 GLN 695 HE22 GLN 695 5.653 -4.855 -8.621 525 H ALA 696 HN ALA 696 1.948 -3.197 -3.698 526 HA ALA 696 HA ALA 696 -0.226 -4.839 -3.091 527 HB1 ALA 696 HB1 ALA 696 0.523 -4.730 -0.798 528 HB2 ALA 696 HB2 ALA 696 1.480 -3.291 -1.145 529 HB3 ALA 696 HB3 ALA 696 1.922 -4.838 -1.865 530 H ALA 697 HN ALA 697 0.284 -1.358 -2.601 531 HA ALA 697 HA ALA 697 -2.031 -0.929 -1.050 532 HB1 ALA 697 HB1 ALA 697 -1.663 1.399 -1.459 533 HB2 ALA 697 HB2 ALA 697 -0.657 1.043 -2.860 534 HB3 ALA 697 HB3 ALA 697 -0.091 0.632 -1.242 535 H GLU 698 HN GLU 698 -1.395 -0.929 -4.517 536 HA GLU 698 HA GLU 698 -3.904 0.028 -5.340 537 HB2 GLU 698 HB2 GLU 698 -2.071 -0.086 -6.906 538 HB3 GLU 698 HB1 GLU 698 -1.951 -1.829 -6.708 539 HG2 GLU 698 HG2 GLU 698 -4.085 -2.143 -7.773 540 HG3 GLU 698 HG1 GLU 698 -4.331 -0.401 -7.872 541 H ALA 699 HN ALA 699 -2.727 -3.217 -4.595 542 HA ALA 699 HA ALA 699 -5.158 -4.543 -5.280 543 HB1 ALA 699 HB1 ALA 699 -4.166 -6.474 -4.165 544 HB2 ALA 699 HB2 ALA 699 -2.896 -5.449 -3.500 545 HB3 ALA 699 HB3 ALA 699 -3.003 -5.703 -5.240 546 H ALA 700 HN ALA 700 -3.913 -2.968 -2.458 547 HA ALA 700 HA ALA 700 -5.818 -3.999 -0.604 548 HB1 ALA 700 HB1 ALA 700 -4.206 -1.456 -0.436 549 HB2 ALA 700 HB2 ALA 700 -3.676 -3.045 0.116 550 HB3 ALA 700 HB3 ALA 700 -5.044 -2.252 0.895 551 H MET 701 HN MET 701 -5.583 -0.936 -2.415 552 HA MET 701 HA MET 701 -8.053 0.062 -1.461 553 HB2 MET 701 HB2 MET 701 -7.879 1.773 -3.131 554 HB3 MET 701 HB1 MET 701 -6.277 1.488 -2.467 555 HG2 MET 701 HG2 MET 701 -5.674 0.200 -4.428 556 HG3 MET 701 HG1 MET 701 -7.296 0.413 -5.087 557 HE1 MET 701 HE1 MET 701 -4.717 1.144 -6.793 558 HE2 MET 701 HE2 MET 701 -5.225 2.688 -7.477 559 HE3 MET 701 HE3 MET 701 -6.375 1.357 -7.348 560 H GLU 702 HN GLU 702 -7.206 -2.092 -4.076 561 HA GLU 702 HA GLU 702 -9.680 -2.043 -5.447 562 HB2 GLU 702 HB2 GLU 702 -7.657 -3.096 -6.378 563 HB3 GLU 702 HB1 GLU 702 -7.708 -4.320 -5.119 564 HG2 GLU 702 HG2 GLU 702 -9.977 -4.969 -6.004 565 HG3 GLU 702 HG1 GLU 702 -9.652 -3.908 -7.374 566 H ALA 703 HN ALA 703 -8.488 -3.812 -2.665 567 HA ALA 703 HA ALA 703 -10.946 -5.349 -2.433 568 HB1 ALA 703 HB1 ALA 703 -8.431 -5.421 -0.771 569 HB2 ALA 703 HB2 ALA 703 -8.811 -6.490 -2.122 570 HB3 ALA 703 HB3 ALA 703 -9.782 -6.549 -0.653 571 H MET 704 HN MET 704 -10.735 -2.379 -1.911 572 HA MET 704 HA MET 704 -11.672 -0.842 -0.531 573 HB2 MET 704 HB2 MET 704 -13.096 -3.276 0.564 574 HB3 MET 704 HB1 MET 704 -13.524 -1.615 0.946 575 HG2 MET 704 HG2 MET 704 -13.976 -1.225 -1.455 576 HG3 MET 704 HG1 MET 704 -13.650 -2.930 -1.759 577 HE1 MET 704 HE1 MET 704 -17.165 -1.376 0.798 578 HE2 MET 704 HE2 MET 704 -15.997 -0.334 -0.014 579 HE3 MET 704 HE3 MET 704 -15.492 -1.330 1.349 580 H LYS 705 HN LYS 705 -9.159 -1.789 0.225 581 HA LYS 705 HA LYS 705 -9.313 -1.692 3.169 582 HB2 LYS 705 HB2 LYS 705 -7.039 -2.670 1.422 583 HB3 LYS 705 HB1 LYS 705 -7.084 -2.706 3.178 584 HG2 LYS 705 HG2 LYS 705 -9.028 -4.195 1.434 585 HG3 LYS 705 HG1 LYS 705 -7.535 -4.890 2.064 586 HD2 LYS 705 HD2 LYS 705 -8.305 -4.467 4.349 587 HD3 LYS 705 HD1 LYS 705 -9.798 -3.772 3.716 588 HE2 LYS 705 HE2 LYS 705 -8.920 -6.577 3.082 589 HE3 LYS 705 HE1 LYS 705 -9.899 -6.189 4.492 590 HZ1 LYS 705 HZ1 LYS 705 -10.639 -5.704 1.653 591 HZ2 LYS 705 HZ2 LYS 705 -11.566 -5.233 2.983 592 HZ3 LYS 705 HZ3 LYS 705 -11.302 -6.874 2.683 593 H GLY 706 HN GLY 706 -9.712 0.664 2.585 594 HA2 GLY 706 HA2 GLY 706 -7.929 2.307 1.259 595 HA3 GLY 706 HA1 GLY 706 -9.031 2.843 2.511 596 H ARG 707 HN ARG 707 -8.111 2.010 4.831 597 HA ARG 707 HA ARG 707 -5.906 3.651 5.342 598 HB2 ARG 707 HB2 ARG 707 -7.568 2.892 7.048 599 HB3 ARG 707 HB1 ARG 707 -6.788 1.315 7.041 600 HG2 ARG 707 HG2 ARG 707 -4.693 2.368 7.782 601 HG3 ARG 707 HG1 ARG 707 -5.521 3.926 7.844 602 HD2 ARG 707 HD2 ARG 707 -5.441 2.986 10.059 603 HD3 ARG 707 HD1 ARG 707 -7.108 2.972 9.484 604 HE ARG 707 HE ARG 707 -5.628 0.527 9.039 605 HH11 ARG 707 HH11 ARG 707 -7.754 2.300 11.199 606 HH12 ARG 707 HH12 ARG 707 -8.353 0.858 11.971 607 HH21 ARG 707 HH21 ARG 707 -6.396 -1.353 10.090 608 HH22 ARG 707 HH22 ARG 707 -7.573 -1.207 11.355 609 H LEU 708 HN LEU 708 -6.061 0.212 4.642 610 HA LEU 708 HA LEU 708 -3.366 -0.394 5.263 611 HB2 LEU 708 HB2 LEU 708 -5.355 -1.723 3.430 612 HB3 LEU 708 HB1 LEU 708 -3.742 -2.351 3.689 613 HG LEU 708 HG LEU 708 -4.317 -2.519 6.148 614 HD11 LEU 708 HD11 LEU 708 -6.217 -0.998 6.194 615 HD12 LEU 708 HD12 LEU 708 -6.680 -2.607 6.746 616 HD13 LEU 708 HD13 LEU 708 -7.116 -2.074 5.123 617 HD21 LEU 708 HD21 LEU 708 -5.932 -4.156 4.204 618 HD22 LEU 708 HD22 LEU 708 -5.541 -4.603 5.864 619 HD23 LEU 708 HD23 LEU 708 -4.256 -4.446 4.667 620 H ALA 709 HN ALA 709 -5.022 0.400 2.242 621 HA ALA 709 HA ALA 709 -2.836 0.389 0.530 622 HB1 ALA 709 HB1 ALA 709 -4.145 1.841 -0.919 623 HB2 ALA 709 HB2 ALA 709 -5.241 2.199 0.415 624 HB3 ALA 709 HB3 ALA 709 -5.150 0.562 -0.237 625 H ASN 710 HN ASN 710 -4.177 3.078 2.435 626 HA ASN 710 HA ASN 710 -2.297 5.014 1.704 627 HB2 ASN 710 HB2 ASN 710 -4.286 5.673 2.890 628 HB3 ASN 710 HB1 ASN 710 -3.847 4.688 4.280 629 HD21 ASN 710 HD21 ASN 710 -2.340 5.469 5.753 630 HD22 ASN 710 HD22 ASN 710 -1.757 7.097 5.711 631 H GLN 711 HN GLN 711 -2.254 2.728 4.437 632 HA GLN 711 HA GLN 711 0.156 3.505 5.573 633 HB2 GLN 711 HB2 GLN 711 -1.422 1.904 6.590 634 HB3 GLN 711 HB1 GLN 711 -0.975 0.709 5.380 635 HG2 GLN 711 HG2 GLN 711 1.346 0.787 6.231 636 HG3 GLN 711 HG1 GLN 711 0.806 1.882 7.502 637 HE21 GLN 711 HE21 GLN 711 -1.119 -0.798 6.312 638 HE22 GLN 711 HE22 GLN 711 -1.027 -1.747 7.752 639 H TYR 712 HN TYR 712 -0.387 0.943 3.157 640 HA TYR 712 HA TYR 712 2.319 0.371 2.765 641 HB2 TYR 712 HB2 TYR 712 0.022 -0.006 0.841 642 HB3 TYR 712 HB1 TYR 712 1.623 -0.732 0.659 643 HD1 TYR 712 HD1 TYR 712 1.733 -1.061 3.872 644 HD2 TYR 712 HD2 TYR 712 -0.923 -2.313 0.799 645 HE1 TYR 712 HE1 TYR 712 1.021 -2.950 5.267 646 HE2 TYR 712 HE2 TYR 712 -1.647 -4.208 2.190 647 HH TYR 712 HH TYR 712 -0.531 -5.580 4.165 648 H TYR 713 HN TYR 713 0.323 2.877 1.231 649 HA TYR 713 HA TYR 713 2.376 3.725 -0.567 650 HB2 TYR 713 HB2 TYR 713 -0.132 4.980 0.490 651 HB3 TYR 713 HB1 TYR 713 1.060 6.009 -0.294 652 HD1 TYR 713 HD1 TYR 713 1.882 5.122 -2.655 653 HD2 TYR 713 HD2 TYR 713 -1.783 4.019 -0.800 654 HE1 TYR 713 HE1 TYR 713 0.970 4.486 -4.849 655 HE2 TYR 713 HE2 TYR 713 -2.704 3.380 -2.993 656 HH TYR 713 HH TYR 713 -2.345 3.866 -5.352 657 H GLN 714 HN GLN 714 1.455 4.604 2.708 658 HA GLN 714 HA GLN 714 3.306 6.649 3.200 659 HB2 GLN 714 HB2 GLN 714 1.507 6.306 4.729 660 HB3 GLN 714 HB1 GLN 714 1.937 4.624 4.972 661 HG2 GLN 714 HG2 GLN 714 2.542 5.798 6.926 662 HG3 GLN 714 HG1 GLN 714 4.031 5.394 6.075 663 HE21 GLN 714 HE21 GLN 714 1.856 7.998 5.160 664 HE22 GLN 714 HE22 GLN 714 2.956 9.283 5.528 665 H LYS 715 HN LYS 715 3.624 3.188 3.116 666 HA LYS 715 HA LYS 715 6.181 3.236 4.492 667 HB2 LYS 715 HB2 LYS 715 4.486 1.389 4.845 668 HB3 LYS 715 HB1 LYS 715 4.802 0.877 3.188 669 HG2 LYS 715 HG2 LYS 715 6.074 -0.518 4.629 670 HG3 LYS 715 HG1 LYS 715 7.200 0.576 3.822 671 HD2 LYS 715 HD2 LYS 715 7.281 1.990 5.802 672 HD3 LYS 715 HD1 LYS 715 6.092 0.961 6.604 673 HE2 LYS 715 HE2 LYS 715 8.282 0.403 7.424 674 HE3 LYS 715 HE1 LYS 715 7.685 -0.927 6.430 675 HZ1 LYS 715 HZ1 LYS 715 9.999 -0.413 5.969 676 HZ2 LYS 715 HZ2 LYS 715 9.591 1.172 5.531 677 HZ3 LYS 715 HZ3 LYS 715 9.039 -0.141 4.606 678 H ALA 716 HN ALA 716 4.820 2.992 1.294 679 HA ALA 716 HA ALA 716 7.151 2.355 -0.131 680 HB1 ALA 716 HB1 ALA 716 4.926 2.328 -1.151 681 HB2 ALA 716 HB2 ALA 716 6.025 3.365 -2.062 682 HB3 ALA 716 HB3 ALA 716 4.827 4.080 -0.986 683 H GLU 717 HN GLU 717 5.758 5.488 0.805 684 HA GLU 717 HA GLU 717 7.754 7.146 -0.213 685 HB2 GLU 717 HB2 GLU 717 5.924 7.414 2.167 686 HB3 GLU 717 HB1 GLU 717 7.029 8.693 1.685 687 HG2 GLU 717 HG2 GLU 717 4.986 7.524 -0.179 688 HG3 GLU 717 HG1 GLU 717 4.647 8.893 0.879 689 H GLU 718 HN GLU 718 7.444 5.672 3.001 690 HA GLU 718 HA GLU 718 9.839 6.623 4.083 691 HB2 GLU 718 HB2 GLU 718 7.939 5.529 5.311 692 HB3 GLU 718 HB1 GLU 718 8.496 3.986 4.689 693 HG2 GLU 718 HG2 GLU 718 10.296 5.755 6.301 694 HG3 GLU 718 HG1 GLU 718 9.151 4.659 7.069 695 H ALA 719 HN ALA 719 9.150 3.640 2.281 696 HA ALA 719 HA ALA 719 11.652 2.450 2.425 697 HB1 ALA 719 HB1 ALA 719 11.037 1.214 0.421 698 HB2 ALA 719 HB2 ALA 719 9.731 2.355 0.108 699 HB3 ALA 719 HB3 ALA 719 9.674 1.324 1.537 700 H TRP 720 HN TRP 720 10.444 4.771 0.023 701 HA TRP 720 HA TRP 720 12.899 4.817 -1.434 702 HB2 TRP 720 HB2 TRP 720 10.571 6.741 -1.442 703 HB3 TRP 720 HB1 TRP 720 11.955 6.874 -2.525 704 HD1 TRP 720 HD1 TRP 720 12.157 3.648 -3.077 705 HE1 TRP 720 HE1 TRP 720 10.452 2.596 -4.691 706 HE3 TRP 720 HE3 TRP 720 8.510 7.253 -2.895 707 HZ2 TRP 720 HZ2 TRP 720 7.915 3.210 -5.751 708 HZ3 TRP 720 HZ3 TRP 720 6.484 6.935 -4.241 709 HH2 TRP 720 HH2 TRP 720 6.193 4.958 -5.641 710 H ALA 721 HN ALA 721 11.781 6.475 1.380 711 HA ALA 721 HA ALA 721 13.870 8.465 1.343 712 HB1 ALA 721 HB1 ALA 721 13.171 8.949 3.639 713 HB2 ALA 721 HB2 ALA 721 12.123 7.529 3.618 714 HB3 ALA 721 HB3 ALA 721 11.789 8.889 2.545 715 H GLN 722 HN GLN 722 13.435 5.237 2.492 716 HA GLN 722 HA GLN 722 15.685 5.221 4.256 717 HB2 GLN 722 HB2 GLN 722 13.556 3.826 4.440 718 HB3 GLN 722 HB1 GLN 722 14.246 2.805 3.186 719 HG2 GLN 722 HG2 GLN 722 14.678 1.846 5.348 720 HG3 GLN 722 HG1 GLN 722 16.188 2.381 4.619 721 HE21 GLN 722 HE21 GLN 722 13.838 4.525 6.082 722 HE22 GLN 722 HE22 GLN 722 14.832 4.996 7.420 723 H MET 723 HN MET 723 15.872 5.582 1.114 724 HA MET 723 HA MET 723 17.447 3.465 0.148 725 HB2 MET 723 HB2 MET 723 17.367 6.369 -0.648 726 HB3 MET 723 HB1 MET 723 18.357 5.179 -1.483 727 HG2 MET 723 HG2 MET 723 16.274 3.876 -1.924 728 HG3 MET 723 HG1 MET 723 15.360 5.224 -1.255 729 HE1 MET 723 HE1 MET 723 15.388 7.674 -2.307 730 HE2 MET 723 HE2 MET 723 16.239 8.095 -3.791 731 HE3 MET 723 HE3 MET 723 17.151 7.702 -2.334 732 H GLU 724 HN GLU 724 18.154 5.577 2.600 733 HA GLU 724 HA GLU 724 20.985 5.752 2.326 734 HB2 GLU 724 HB2 GLU 724 20.864 6.365 4.768 735 HB3 GLU 724 HB1 GLU 724 19.881 7.360 3.702 736 HG2 GLU 724 HG2 GLU 724 17.908 6.004 4.315 737 HG3 GLU 724 HG1 GLU 724 18.913 5.115 5.456 738 H GLU 725 HN GLU 725 18.876 3.231 3.104 739 HA GLU 725 HA GLU 725 20.524 1.767 4.929 740 HB2 GLU 725 HB2 GLU 725 18.067 1.476 4.775 741 HB3 GLU 725 HB1 GLU 725 18.256 0.819 3.156 742 HG2 GLU 725 HG2 GLU 725 17.915 -0.983 4.676 743 HG3 GLU 725 HG1 GLU 725 19.584 -1.034 4.113 Start of MODEL 7 1 H1 GLY 623 HT1 GLY 623 -15.924 -7.891 13.953 2 H2 GLY 623 HT2 GLY 623 -16.856 -8.367 12.630 3 H3 GLY 623 HT3 GLY 623 -17.314 -8.822 14.191 4 HA2 GLY 623 HA1 GLY 623 -18.709 -7.030 13.424 5 HA3 GLY 623 HA2 GLY 623 -17.713 -6.515 14.779 6 H SER 624 HN SER 624 -18.429 -4.397 13.695 7 HA SER 624 HA SER 624 -16.190 -3.521 12.052 8 HB2 SER 624 HB2 SER 624 -17.987 -4.111 10.450 9 HB3 SER 624 HB1 SER 624 -19.067 -2.989 11.272 10 HG SER 624 HG SER 624 -17.896 -2.206 9.332 11 H HIS 625 HN HIS 625 -15.753 -1.322 12.226 12 HA HIS 625 HA HIS 625 -17.453 0.315 13.940 13 HB2 HIS 625 HB2 HIS 625 -15.854 -0.739 15.490 14 HB3 HIS 625 HB1 HIS 625 -14.514 -0.166 14.505 15 HD1 HIS 625 HD1 HIS 625 -13.412 1.735 15.584 16 HD2 HIS 625 HD2 HIS 625 -17.515 1.769 16.245 17 HE1 HIS 625 HE1 HIS 625 -13.855 3.782 16.978 18 HE2 HIS 625 HE2 HIS 625 -16.315 3.688 17.501 19 H MET 626 HN MET 626 -14.449 0.108 12.088 20 HA MET 626 HA MET 626 -15.114 2.700 10.860 21 HB2 MET 626 HB2 MET 626 -12.924 2.800 11.853 22 HB3 MET 626 HB1 MET 626 -12.472 1.254 11.149 23 HG2 MET 626 HG2 MET 626 -11.414 3.123 9.996 24 HG3 MET 626 HG1 MET 626 -12.490 2.226 8.930 25 HE1 MET 626 HE1 MET 626 -11.697 5.592 10.668 26 HE2 MET 626 HE2 MET 626 -13.057 5.052 11.648 27 HE3 MET 626 HE3 MET 626 -13.231 6.456 10.595 28 H SER 627 HN SER 627 -15.232 2.811 8.610 29 HA SER 627 HA SER 627 -14.642 0.464 7.017 30 HB2 SER 627 HB2 SER 627 -17.472 1.556 7.100 31 HB3 SER 627 HB1 SER 627 -16.888 0.238 6.089 32 HG SER 627 HG SER 627 -16.233 -0.544 8.425 33 HA PRO 628 HA PRO 628 -14.024 3.740 4.016 34 HB2 PRO 628 HB2 PRO 628 -13.934 2.219 1.772 35 HB3 PRO 628 HB1 PRO 628 -12.591 2.305 2.917 36 HG2 PRO 628 HG2 PRO 628 -14.692 0.203 2.615 37 HG3 PRO 628 HG1 PRO 628 -12.956 0.015 2.916 38 HD2 PRO 628 HD2 PRO 628 -14.838 -0.181 4.872 39 HD3 PRO 628 HD1 PRO 628 -13.184 0.382 5.171 40 H ASP 629 HN ASP 629 -16.296 4.273 4.709 41 HA ASP 629 HA ASP 629 -18.546 3.232 3.339 42 HB2 ASP 629 HB2 ASP 629 -18.845 4.219 5.509 43 HB3 ASP 629 HB1 ASP 629 -18.154 5.744 4.973 44 H ARG 630 HN ARG 630 -16.249 5.665 2.523 45 HA ARG 630 HA ARG 630 -17.703 6.152 0.045 46 HB2 ARG 630 HB2 ARG 630 -18.340 7.932 1.684 47 HB3 ARG 630 HB1 ARG 630 -16.652 8.416 1.735 48 HG2 ARG 630 HG2 ARG 630 -16.685 9.106 -0.527 49 HG3 ARG 630 HG1 ARG 630 -18.257 8.349 -0.803 50 HD2 ARG 630 HD2 ARG 630 -17.733 10.647 1.070 51 HD3 ARG 630 HD1 ARG 630 -18.420 10.791 -0.547 52 HE ARG 630 HE ARG 630 -20.043 9.004 0.732 53 HH11 ARG 630 HH11 ARG 630 -18.988 12.273 1.383 54 HH12 ARG 630 HH12 ARG 630 -20.444 12.711 2.217 55 HH21 ARG 630 HH21 ARG 630 -21.953 9.570 1.827 56 HH22 ARG 630 HH22 ARG 630 -22.131 11.173 2.471 57 H CYS 631 HN CYS 631 -16.060 4.900 -0.895 58 HA CYS 631 HA CYS 631 -13.329 5.794 -0.781 59 HB2 CYS 631 HB2 CYS 631 -14.706 3.724 -2.496 60 HB3 CYS 631 HB1 CYS 631 -12.978 4.050 -2.544 61 HG CYS 631 HG CYS 631 -13.739 1.670 -1.067 62 H GLN 632 HN GLN 632 -13.681 7.989 -1.452 63 HA GLN 632 HA GLN 632 -13.693 8.193 -4.379 64 HB2 GLN 632 HB2 GLN 632 -15.159 10.035 -2.485 65 HB3 GLN 632 HB1 GLN 632 -14.922 10.347 -4.197 66 HG2 GLN 632 HG2 GLN 632 -16.200 8.338 -4.742 67 HG3 GLN 632 HG1 GLN 632 -16.432 8.023 -3.022 68 HE21 GLN 632 HE21 GLN 632 -16.488 11.243 -4.374 69 HE22 GLN 632 HE22 GLN 632 -18.182 11.511 -4.161 70 H ASP 633 HN ASP 633 -13.421 10.557 -1.745 71 HA ASP 633 HA ASP 633 -11.424 12.009 -3.124 72 HB2 ASP 633 HB2 ASP 633 -12.408 12.179 -0.277 73 HB3 ASP 633 HB1 ASP 633 -11.219 13.284 -0.954 74 H TRP 634 HN TRP 634 -11.262 9.483 -0.697 75 HA TRP 634 HA TRP 634 -8.640 10.168 0.151 76 HB2 TRP 634 HB2 TRP 634 -8.655 8.276 1.544 77 HB3 TRP 634 HB1 TRP 634 -10.315 8.840 1.517 78 HD1 TRP 634 HD1 TRP 634 -12.143 7.211 0.474 79 HE1 TRP 634 HE1 TRP 634 -12.088 4.701 -0.118 80 HE3 TRP 634 HE3 TRP 634 -7.091 6.446 0.610 81 HZ2 TRP 634 HZ2 TRP 634 -10.161 2.675 -0.481 82 HZ3 TRP 634 HZ3 TRP 634 -6.222 4.193 0.135 83 HH2 TRP 634 HH2 TRP 634 -7.726 2.350 -0.399 84 H LEU 635 HN LEU 635 -9.844 8.405 -2.536 85 HA LEU 635 HA LEU 635 -7.466 6.934 -3.097 86 HB2 LEU 635 HB2 LEU 635 -9.735 7.846 -4.863 87 HB3 LEU 635 HB1 LEU 635 -8.370 6.935 -5.478 88 HG LEU 635 HG LEU 635 -10.130 5.387 -5.158 89 HD11 LEU 635 HD11 LEU 635 -8.315 5.129 -2.769 90 HD12 LEU 635 HD12 LEU 635 -7.913 4.633 -4.413 91 HD13 LEU 635 HD13 LEU 635 -9.227 3.837 -3.550 92 HD21 LEU 635 HD21 LEU 635 -11.547 6.719 -3.706 93 HD22 LEU 635 HD22 LEU 635 -10.426 6.473 -2.365 94 HD23 LEU 635 HD23 LEU 635 -11.308 5.104 -3.040 95 H GLU 636 HN GLU 636 -8.748 10.041 -4.127 96 HA GLU 636 HA GLU 636 -6.525 10.801 -5.713 97 HB2 GLU 636 HB2 GLU 636 -8.571 12.510 -4.287 98 HB3 GLU 636 HB1 GLU 636 -7.493 13.059 -5.566 99 HG2 GLU 636 HG2 GLU 636 -8.559 11.520 -7.126 100 HG3 GLU 636 HG1 GLU 636 -9.629 10.957 -5.842 101 H ALA 637 HN ALA 637 -7.473 11.357 -2.370 102 HA ALA 637 HA ALA 637 -5.341 12.996 -1.598 103 HB1 ALA 637 HB1 ALA 637 -6.767 11.010 0.154 104 HB2 ALA 637 HB2 ALA 637 -7.428 12.583 -0.291 105 HB3 ALA 637 HB3 ALA 637 -5.942 12.485 0.656 106 H LEU 638 HN LEU 638 -5.643 9.498 -1.819 107 HA LEU 638 HA LEU 638 -3.280 8.800 -0.491 108 HB2 LEU 638 HB2 LEU 638 -5.137 7.252 -1.164 109 HB3 LEU 638 HB1 LEU 638 -4.535 7.333 -2.808 110 HG LEU 638 HG LEU 638 -2.372 6.378 -2.015 111 HD11 LEU 638 HD11 LEU 638 -3.889 6.077 0.573 112 HD12 LEU 638 HD12 LEU 638 -2.412 7.003 0.304 113 HD13 LEU 638 HD13 LEU 638 -2.382 5.245 0.193 114 HD21 LEU 638 HD21 LEU 638 -3.219 4.093 -1.753 115 HD22 LEU 638 HD22 LEU 638 -4.060 4.962 -3.036 116 HD23 LEU 638 HD23 LEU 638 -4.839 4.731 -1.472 117 H HIS 639 HN HIS 639 -3.840 9.985 -3.725 118 HA HIS 639 HA HIS 639 -1.245 9.307 -4.736 119 HB2 HIS 639 HB2 HIS 639 -3.262 9.761 -6.173 120 HB3 HIS 639 HB1 HIS 639 -3.122 11.460 -5.742 121 HD1 HIS 639 HD1 HIS 639 -0.982 12.729 -6.663 122 HD2 HIS 639 HD2 HIS 639 -1.576 8.905 -8.182 123 HE1 HIS 639 HE1 HIS 639 0.487 12.572 -8.696 124 HE2 HIS 639 HE2 HIS 639 0.233 10.202 -9.499 125 H TRP 640 HN TRP 640 -2.604 11.899 -2.901 126 HA TRP 640 HA TRP 640 -0.202 13.554 -3.169 127 HB2 TRP 640 HB2 TRP 640 -2.549 14.519 -3.313 128 HB3 TRP 640 HB1 TRP 640 -2.741 14.121 -1.614 129 HD1 TRP 640 HD1 TRP 640 -1.506 15.655 0.161 130 HE1 TRP 640 HE1 TRP 640 -0.428 17.985 -0.004 131 HE3 TRP 640 HE3 TRP 640 -1.232 16.071 -4.938 132 HZ2 TRP 640 HZ2 TRP 640 0.415 19.762 -2.021 133 HZ3 TRP 640 HZ3 TRP 640 -0.278 18.127 -5.897 134 HH2 TRP 640 HH2 TRP 640 0.524 19.931 -4.468 135 H TYR 641 HN TYR 641 -1.010 10.949 -1.504 136 HA TYR 641 HA TYR 641 -0.498 11.753 1.215 137 HB2 TYR 641 HB2 TYR 641 -2.088 9.918 0.443 138 HB3 TYR 641 HB1 TYR 641 -0.663 8.945 0.111 139 HD1 TYR 641 HD1 TYR 641 -1.950 11.030 2.949 140 HD2 TYR 641 HD2 TYR 641 -0.195 7.370 1.685 141 HE1 TYR 641 HE1 TYR 641 -2.007 10.209 5.268 142 HE2 TYR 641 HE2 TYR 641 -0.242 6.540 3.997 143 HH TYR 641 HH TYR 641 -0.278 7.549 6.317 144 H ASN 642 HN ASN 642 1.597 12.673 0.180 145 HA ASN 642 HA ASN 642 3.761 10.810 -0.204 146 HB2 ASN 642 HB2 ASN 642 3.753 13.831 0.030 147 HB3 ASN 642 HB1 ASN 642 5.139 12.854 -0.441 148 HD21 ASN 642 HD21 ASN 642 3.829 10.996 -2.081 149 HD22 ASN 642 HD22 ASN 642 3.256 11.827 -3.492 150 H THR 643 HN THR 643 2.750 10.235 2.170 151 HA THR 643 HA THR 643 4.170 11.640 4.274 152 HB THR 643 HB THR 643 2.996 9.954 5.743 153 HG1 THR 643 HG1 THR 643 2.756 8.468 3.837 154 HG21 THR 643 HG21 THR 643 0.769 10.952 5.453 155 HG22 THR 643 HG22 THR 643 1.262 11.589 3.885 156 HG23 THR 643 HG23 THR 643 2.041 12.169 5.358 157 H ALA 644 HN ALA 644 6.307 11.160 4.235 158 HA ALA 644 HA ALA 644 7.149 8.427 3.721 159 HB1 ALA 644 HB1 ALA 644 8.330 10.229 2.588 160 HB2 ALA 644 HB2 ALA 644 9.412 9.337 3.655 161 HB3 ALA 644 HB3 ALA 644 8.796 10.914 4.142 162 H LEU 645 HN LEU 645 7.899 10.891 6.205 163 HA LEU 645 HA LEU 645 8.205 8.673 8.112 164 HB2 LEU 645 HB2 LEU 645 9.713 11.283 8.031 165 HB3 LEU 645 HB1 LEU 645 9.861 10.079 9.297 166 HG LEU 645 HG LEU 645 10.577 9.632 6.397 167 HD11 LEU 645 HD11 LEU 645 12.344 10.086 8.794 168 HD12 LEU 645 HD12 LEU 645 12.088 11.215 7.465 169 HD13 LEU 645 HD13 LEU 645 12.890 9.672 7.170 170 HD21 LEU 645 HD21 LEU 645 10.966 7.911 8.843 171 HD22 LEU 645 HD22 LEU 645 11.642 7.581 7.249 172 HD23 LEU 645 HD23 LEU 645 9.895 7.578 7.482 173 H GLU 646 HN GLU 646 5.767 9.920 7.605 174 HA GLU 646 HA GLU 646 5.315 11.853 9.712 175 HB2 GLU 646 HB2 GLU 646 4.164 12.113 7.552 176 HB3 GLU 646 HB1 GLU 646 3.379 10.556 7.783 177 HG2 GLU 646 HG2 GLU 646 2.214 11.417 9.737 178 HG3 GLU 646 HG1 GLU 646 3.022 12.970 9.545 179 H MET 647 HN MET 647 4.259 11.482 11.591 180 HA MET 647 HA MET 647 4.203 8.865 12.648 181 HB2 MET 647 HB2 MET 647 4.542 10.758 14.107 182 HB3 MET 647 HB1 MET 647 2.995 11.450 13.643 183 HG2 MET 647 HG2 MET 647 2.990 10.389 15.875 184 HG3 MET 647 HG1 MET 647 1.803 9.711 14.764 185 HE1 MET 647 HE1 MET 647 5.668 8.992 14.618 186 HE2 MET 647 HE2 MET 647 5.810 7.626 15.723 187 HE3 MET 647 HE3 MET 647 5.371 9.218 16.341 188 H THR 648 HN THR 648 2.816 7.352 12.084 189 HA THR 648 HA THR 648 0.347 7.828 10.801 190 HB THR 648 HB THR 648 1.087 5.283 12.242 191 HG1 THR 648 HG1 THR 648 2.342 6.528 10.134 192 HG21 THR 648 HG21 THR 648 -1.170 5.396 11.292 193 HG22 THR 648 HG22 THR 648 -0.170 4.229 10.430 194 HG23 THR 648 HG23 THR 648 -0.488 5.810 9.719 195 H ASP 649 HN ASP 649 -1.020 9.094 11.991 196 HA ASP 649 HA ASP 649 -1.794 8.095 14.649 197 HB2 ASP 649 HB2 ASP 649 -0.900 10.441 14.532 198 HB3 ASP 649 HB1 ASP 649 -2.284 10.862 13.526 199 H CYS 650 HN CYS 650 -2.829 6.633 12.765 200 HA CYS 650 HA CYS 650 -5.649 7.407 12.849 201 HB2 CYS 650 HB2 CYS 650 -5.890 6.217 10.596 202 HB3 CYS 650 HB1 CYS 650 -5.128 7.803 10.570 203 HG CYS 650 HG CYS 650 -2.866 7.087 9.566 204 H ASP 651 HN ASP 651 -5.719 6.128 14.709 205 HA ASP 651 HA ASP 651 -4.760 3.547 15.025 206 HB2 ASP 651 HB2 ASP 651 -5.546 4.837 16.916 207 HB3 ASP 651 HB1 ASP 651 -7.185 4.854 16.274 208 H GLU 652 HN GLU 652 -5.383 1.589 14.425 209 HA GLU 652 HA GLU 652 -7.470 1.318 12.463 210 HB2 GLU 652 HB2 GLU 652 -5.713 -0.773 13.755 211 HB3 GLU 652 HB1 GLU 652 -6.720 -1.014 12.339 212 HG2 GLU 652 HG2 GLU 652 -5.377 0.484 11.048 213 HG3 GLU 652 HG1 GLU 652 -4.449 0.951 12.472 214 H GLY 653 HN GLY 653 -9.114 2.051 14.099 215 HA2 GLY 653 HA2 GLY 653 -9.836 0.225 16.199 216 HA3 GLY 653 HA1 GLY 653 -10.725 1.658 15.707 217 H GLY 654 HN GLY 654 -9.826 -1.457 14.257 218 HA2 GLY 654 HA2 GLY 654 -11.100 -3.103 13.296 219 HA3 GLY 654 HA1 GLY 654 -12.469 -2.444 14.171 220 H GLU 655 HN GLU 655 -10.450 -1.791 11.320 221 HA GLU 655 HA GLU 655 -12.710 -0.545 9.993 222 HB2 GLU 655 HB2 GLU 655 -10.487 0.476 9.734 223 HB3 GLU 655 HB1 GLU 655 -9.885 -1.012 9.016 224 HG2 GLU 655 HG2 GLU 655 -11.295 -0.746 7.109 225 HG3 GLU 655 HG1 GLU 655 -12.130 0.618 7.849 226 H TYR 656 HN TYR 656 -14.132 -2.188 9.671 227 HA TYR 656 HA TYR 656 -13.224 -4.477 8.079 228 HB2 TYR 656 HB2 TYR 656 -14.390 -5.187 10.054 229 HB3 TYR 656 HB1 TYR 656 -15.716 -4.074 9.740 230 HD1 TYR 656 HD1 TYR 656 -17.603 -4.815 8.611 231 HD2 TYR 656 HD2 TYR 656 -13.999 -7.047 8.264 232 HE1 TYR 656 HE1 TYR 656 -18.806 -6.548 7.357 233 HE2 TYR 656 HE2 TYR 656 -15.198 -8.791 7.008 234 HH TYR 656 HH TYR 656 -18.309 -8.310 5.729 235 H ASP 657 HN ASP 657 -13.566 -4.441 5.996 236 HA ASP 657 HA ASP 657 -15.560 -2.614 4.888 237 HB2 ASP 657 HB2 ASP 657 -14.369 -2.881 2.779 238 HB3 ASP 657 HB1 ASP 657 -13.235 -2.468 4.063 239 H GLY 658 HN GLY 658 -14.529 -6.014 4.638 240 HA2 GLY 658 HA2 GLY 658 -16.714 -7.444 4.638 241 HA3 GLY 658 HA1 GLY 658 -16.953 -6.613 3.109 242 H MET 659 HN MET 659 -14.144 -6.594 2.407 243 HA MET 659 HA MET 659 -14.004 -9.019 0.987 244 HB2 MET 659 HB2 MET 659 -12.925 -7.144 0.054 245 HB3 MET 659 HB1 MET 659 -12.047 -6.805 1.533 246 HG2 MET 659 HG2 MET 659 -10.503 -7.649 -0.049 247 HG3 MET 659 HG1 MET 659 -10.751 -8.891 1.170 248 HE1 MET 659 HE1 MET 659 -9.469 -10.499 -0.616 249 HE2 MET 659 HE2 MET 659 -9.425 -9.175 -1.781 250 HE3 MET 659 HE3 MET 659 -10.053 -10.752 -2.262 251 H GLN 660 HN GLN 660 -13.825 -10.908 1.997 252 HA GLN 660 HA GLN 660 -11.576 -11.248 3.868 253 HB2 GLN 660 HB2 GLN 660 -13.884 -11.420 4.902 254 HB3 GLN 660 HB1 GLN 660 -14.143 -12.843 3.903 255 HG2 GLN 660 HG2 GLN 660 -12.131 -13.859 4.982 256 HG3 GLN 660 HG1 GLN 660 -12.109 -12.488 6.088 257 HE21 GLN 660 HE21 GLN 660 -15.029 -12.327 6.193 258 HE22 GLN 660 HE22 GLN 660 -15.539 -13.648 7.181 259 H ASP 661 HN ASP 661 -11.961 -11.574 0.892 260 HA ASP 661 HA ASP 661 -11.633 -14.444 0.526 261 HB2 ASP 661 HB2 ASP 661 -12.960 -12.833 -1.037 262 HB3 ASP 661 HB1 ASP 661 -11.377 -12.387 -1.663 263 H GLU 662 HN GLU 662 -9.775 -14.671 -1.456 264 HA GLU 662 HA GLU 662 -7.381 -14.724 -0.009 265 HB2 GLU 662 HB2 GLU 662 -7.930 -14.936 -2.962 266 HB3 GLU 662 HB1 GLU 662 -6.322 -15.138 -2.280 267 HG2 GLU 662 HG2 GLU 662 -8.734 -16.797 -1.580 268 HG3 GLU 662 HG1 GLU 662 -7.445 -17.273 -2.687 269 HA PRO 663 HA PRO 663 -6.348 -10.393 -0.710 270 HB2 PRO 663 HB2 PRO 663 -4.643 -10.129 1.349 271 HB3 PRO 663 HB1 PRO 663 -6.396 -10.162 1.585 272 HG2 PRO 663 HG2 PRO 663 -4.380 -12.312 2.060 273 HG3 PRO 663 HG1 PRO 663 -5.848 -11.918 2.980 274 HD2 PRO 663 HD2 PRO 663 -5.607 -13.962 1.088 275 HD3 PRO 663 HD1 PRO 663 -7.141 -13.270 1.669 276 H ARG 664 HN ARG 664 -5.015 -9.987 -2.373 277 HA ARG 664 HA ARG 664 -2.506 -11.365 -2.718 278 HB2 ARG 664 HB2 ARG 664 -3.636 -8.957 -4.159 279 HB3 ARG 664 HB1 ARG 664 -2.209 -9.856 -4.649 280 HG2 ARG 664 HG2 ARG 664 -3.554 -11.821 -5.073 281 HG3 ARG 664 HG1 ARG 664 -4.998 -10.981 -4.499 282 HD2 ARG 664 HD2 ARG 664 -4.808 -9.366 -6.294 283 HD3 ARG 664 HD1 ARG 664 -3.309 -10.113 -6.839 284 HE ARG 664 HE ARG 664 -5.085 -12.150 -6.955 285 HH11 ARG 664 HH11 ARG 664 -5.101 -8.880 -8.180 286 HH12 ARG 664 HH12 ARG 664 -6.064 -9.264 -9.571 287 HH21 ARG 664 HH21 ARG 664 -6.358 -12.668 -8.791 288 HH22 ARG 664 HH22 ARG 664 -6.781 -11.418 -9.916 289 H TYR 665 HN TYR 665 -3.612 -8.264 -1.573 290 HA TYR 665 HA TYR 665 -1.236 -6.821 -1.785 291 HB2 TYR 665 HB2 TYR 665 -2.301 -5.260 -0.155 292 HB3 TYR 665 HB1 TYR 665 -3.324 -5.674 -1.528 293 HD1 TYR 665 HD1 TYR 665 -5.181 -7.336 -1.193 294 HD2 TYR 665 HD2 TYR 665 -3.002 -5.678 2.052 295 HE1 TYR 665 HE1 TYR 665 -6.977 -8.002 0.345 296 HE2 TYR 665 HE2 TYR 665 -4.789 -6.345 3.602 297 HH TYR 665 HH TYR 665 -7.200 -8.519 2.798 298 H MET 666 HN MET 666 -2.241 -9.103 0.637 299 HA MET 666 HA MET 666 -0.420 -8.216 2.656 300 HB2 MET 666 HB2 MET 666 -1.901 -10.824 2.279 301 HB3 MET 666 HB1 MET 666 -0.874 -10.483 3.672 302 HG2 MET 666 HG2 MET 666 -2.304 -8.626 4.298 303 HG3 MET 666 HG1 MET 666 -3.307 -8.894 2.874 304 HE1 MET 666 HE1 MET 666 -4.622 -8.649 5.649 305 HE2 MET 666 HE2 MET 666 -5.709 -10.036 5.706 306 HE3 MET 666 HE3 MET 666 -5.555 -9.096 4.221 307 H MET 667 HN MET 667 -0.357 -10.708 0.149 308 HA MET 667 HA MET 667 2.182 -11.752 0.917 309 HB2 MET 667 HB2 MET 667 0.356 -12.894 -0.491 310 HB3 MET 667 HB1 MET 667 0.948 -11.931 -1.831 311 HG2 MET 667 HG2 MET 667 2.680 -13.826 -0.259 312 HG3 MET 667 HG1 MET 667 1.802 -14.285 -1.712 313 HE1 MET 667 HE1 MET 667 3.520 -12.162 -4.475 314 HE2 MET 667 HE2 MET 667 1.996 -11.918 -3.624 315 HE3 MET 667 HE3 MET 667 2.458 -13.533 -4.156 316 H LEU 668 HN LEU 668 1.030 -9.455 -1.505 317 HA LEU 668 HA LEU 668 3.495 -8.840 -2.693 318 HB2 LEU 668 HB2 LEU 668 0.881 -7.417 -2.457 319 HB3 LEU 668 HB1 LEU 668 2.270 -6.508 -3.012 320 HG LEU 668 HG LEU 668 2.552 -8.073 -4.886 321 HD11 LEU 668 HD11 LEU 668 1.612 -10.078 -3.861 322 HD12 LEU 668 HD12 LEU 668 0.840 -9.718 -5.404 323 HD13 LEU 668 HD13 LEU 668 0.010 -9.344 -3.893 324 HD21 LEU 668 HD21 LEU 668 1.235 -6.074 -5.221 325 HD22 LEU 668 HD22 LEU 668 -0.210 -6.902 -4.637 326 HD23 LEU 668 HD23 LEU 668 0.552 -7.414 -6.142 327 H ALA 669 HN ALA 669 1.922 -7.513 0.202 328 HA ALA 669 HA ALA 669 3.871 -5.420 0.501 329 HB1 ALA 669 HB1 ALA 669 2.761 -4.978 2.632 330 HB2 ALA 669 HB2 ALA 669 1.813 -6.454 2.448 331 HB3 ALA 669 HB3 ALA 669 1.593 -5.117 1.318 332 H ARG 670 HN ARG 670 3.343 -8.650 1.780 333 HA ARG 670 HA ARG 670 5.325 -8.567 3.789 334 HB2 ARG 670 HB2 ARG 670 3.531 -10.291 3.612 335 HB3 ARG 670 HB1 ARG 670 4.368 -10.963 2.220 336 HG2 ARG 670 HG2 ARG 670 6.267 -11.545 3.583 337 HG3 ARG 670 HG1 ARG 670 5.534 -10.759 4.987 338 HD2 ARG 670 HD2 ARG 670 4.461 -13.154 3.507 339 HD3 ARG 670 HD1 ARG 670 5.213 -13.165 5.101 340 HE ARG 670 HE ARG 670 3.242 -11.567 5.651 341 HH11 ARG 670 HH11 ARG 670 3.120 -14.342 3.520 342 HH12 ARG 670 HH12 ARG 670 1.432 -14.631 3.785 343 HH21 ARG 670 HH21 ARG 670 1.023 -11.957 6.022 344 HH22 ARG 670 HH22 ARG 670 0.241 -13.285 5.227 345 H GLU 671 HN GLU 671 5.392 -9.512 0.363 346 HA GLU 671 HA GLU 671 8.138 -10.251 0.403 347 HB2 GLU 671 HB2 GLU 671 6.557 -11.025 -1.345 348 HB3 GLU 671 HB1 GLU 671 6.461 -9.379 -1.956 349 HG2 GLU 671 HG2 GLU 671 8.805 -9.410 -2.527 350 HG3 GLU 671 HG1 GLU 671 8.988 -11.004 -1.804 351 H ALA 672 HN ALA 672 6.380 -7.286 -0.484 352 HA ALA 672 HA ALA 672 8.546 -5.685 -1.154 353 HB1 ALA 672 HB1 ALA 672 6.172 -5.029 -1.372 354 HB2 ALA 672 HB2 ALA 672 7.163 -3.794 -0.601 355 HB3 ALA 672 HB3 ALA 672 6.102 -4.806 0.375 356 H GLU 673 HN GLU 673 7.289 -6.541 2.035 357 HA GLU 673 HA GLU 673 9.040 -4.870 3.510 358 HB2 GLU 673 HB2 GLU 673 6.959 -5.887 4.417 359 HB3 GLU 673 HB1 GLU 673 7.748 -7.457 4.384 360 HG2 GLU 673 HG2 GLU 673 9.418 -6.654 5.969 361 HG3 GLU 673 HG1 GLU 673 8.628 -5.077 6.001 362 H MET 674 HN MET 674 9.252 -8.174 2.299 363 HA MET 674 HA MET 674 11.788 -8.712 3.526 364 HB2 MET 674 HB2 MET 674 10.280 -10.065 1.288 365 HB3 MET 674 HB1 MET 674 11.869 -10.600 1.815 366 HG2 MET 674 HG2 MET 674 10.876 -10.818 4.132 367 HG3 MET 674 HG1 MET 674 9.302 -10.599 3.369 368 HE1 MET 674 HE1 MET 674 8.261 -12.261 1.607 369 HE2 MET 674 HE2 MET 674 9.079 -13.703 1.006 370 HE3 MET 674 HE3 MET 674 9.687 -12.103 0.579 371 H LEU 675 HN LEU 675 10.765 -6.948 0.790 372 HA LEU 675 HA LEU 675 13.364 -6.990 -0.490 373 HB2 LEU 675 HB2 LEU 675 10.680 -5.929 -1.100 374 HB3 LEU 675 HB1 LEU 675 12.007 -4.923 -1.641 375 HG LEU 675 HG LEU 675 11.150 -6.463 -3.379 376 HD11 LEU 675 HD11 LEU 675 13.341 -7.297 -4.106 377 HD12 LEU 675 HD12 LEU 675 13.995 -6.925 -2.511 378 HD13 LEU 675 HD13 LEU 675 13.404 -5.626 -3.548 379 HD21 LEU 675 HD21 LEU 675 10.572 -8.354 -1.943 380 HD22 LEU 675 HD22 LEU 675 12.283 -8.635 -1.626 381 HD23 LEU 675 HD23 LEU 675 11.644 -8.836 -3.256 382 H PHE 676 HN PHE 676 11.533 -5.042 1.746 383 HA PHE 676 HA PHE 676 13.365 -2.814 1.506 384 HB2 PHE 676 HB2 PHE 676 10.911 -2.483 1.864 385 HB3 PHE 676 HB1 PHE 676 11.091 -3.184 3.473 386 HD1 PHE 676 HD1 PHE 676 10.747 -1.500 5.006 387 HD2 PHE 676 HD2 PHE 676 13.197 -0.729 1.609 388 HE1 PHE 676 HE1 PHE 676 11.310 0.714 5.917 389 HE2 PHE 676 HE2 PHE 676 13.762 1.482 2.517 390 HZ PHE 676 HZ PHE 676 12.790 2.226 4.650 391 H THR 677 HN THR 677 12.398 -5.031 4.163 392 HA THR 677 HA THR 677 14.742 -4.133 5.653 393 HB THR 677 HB THR 677 13.744 -5.410 7.541 394 HG1 THR 677 HG1 THR 677 12.011 -6.213 5.511 395 HG21 THR 677 HG21 THR 677 13.246 -3.039 7.273 396 HG22 THR 677 HG22 THR 677 11.841 -3.900 7.905 397 HG23 THR 677 HG23 THR 677 11.899 -3.433 6.205 398 H GLY 678 HN GLY 678 14.321 -6.321 3.353 399 HA2 GLY 678 HA2 GLY 678 15.763 -8.078 2.768 400 HA3 GLY 678 HA1 GLY 678 16.347 -8.117 4.432 401 H GLY 679 HN GLY 679 15.684 -10.474 3.070 402 HA2 GLY 679 HA2 GLY 679 13.687 -11.522 4.848 403 HA3 GLY 679 HA1 GLY 679 13.138 -11.423 3.183 404 H TYR 680 HN TYR 680 12.986 -13.808 3.819 405 HA TYR 680 HA TYR 680 15.395 -15.327 3.931 406 HB2 TYR 680 HB2 TYR 680 12.585 -16.265 3.294 407 HB3 TYR 680 HB1 TYR 680 13.936 -17.283 3.791 408 HD1 TYR 680 HD1 TYR 680 14.850 -17.061 6.111 409 HD2 TYR 680 HD2 TYR 680 11.267 -15.117 4.894 410 HE1 TYR 680 HE1 TYR 680 14.227 -16.751 8.468 411 HE2 TYR 680 HE2 TYR 680 10.635 -14.801 7.252 412 HH TYR 680 HH TYR 680 11.135 -15.888 9.457 413 H GLY 681 HN GLY 681 16.556 -14.589 2.087 414 HA2 GLY 681 HA2 GLY 681 17.368 -15.385 -0.001 415 HA3 GLY 681 HA1 GLY 681 15.750 -15.972 -0.375 416 H LEU 682 HN LEU 682 15.571 -12.912 0.948 417 HA LEU 682 HA LEU 682 15.354 -11.726 -1.733 418 HB2 LEU 682 HB2 LEU 682 13.821 -11.168 0.797 419 HB3 LEU 682 HB1 LEU 682 13.836 -10.044 -0.542 420 HG LEU 682 HG LEU 682 11.813 -11.286 -0.669 421 HD11 LEU 682 HD11 LEU 682 12.978 -10.866 -2.799 422 HD12 LEU 682 HD12 LEU 682 11.936 -12.287 -2.842 423 HD13 LEU 682 HD13 LEU 682 13.683 -12.480 -2.702 424 HD21 LEU 682 HD21 LEU 682 13.471 -13.798 -0.557 425 HD22 LEU 682 HD22 LEU 682 11.726 -13.719 -0.800 426 HD23 LEU 682 HD23 LEU 682 12.428 -13.180 0.725 427 H GLU 683 HN GLU 683 16.812 -10.240 -2.208 428 HA GLU 683 HA GLU 683 18.476 -9.053 -0.157 429 HB2 GLU 683 HB2 GLU 683 18.406 -8.541 -3.137 430 HB3 GLU 683 HB1 GLU 683 19.661 -8.012 -2.028 431 HG2 GLU 683 HG2 GLU 683 20.311 -10.295 -1.616 432 HG3 GLU 683 HG1 GLU 683 18.984 -10.883 -2.614 433 H LYS 684 HN LYS 684 18.396 -6.941 0.525 434 HA LYS 684 HA LYS 684 15.878 -5.656 0.193 435 HB2 LYS 684 HB2 LYS 684 16.607 -4.051 1.790 436 HB3 LYS 684 HB1 LYS 684 17.187 -5.620 2.317 437 HG2 LYS 684 HG2 LYS 684 19.418 -5.076 1.439 438 HG3 LYS 684 HG1 LYS 684 18.823 -3.484 0.962 439 HD2 LYS 684 HD2 LYS 684 19.018 -4.602 3.755 440 HD3 LYS 684 HD1 LYS 684 19.964 -3.279 3.067 441 HE2 LYS 684 HE2 LYS 684 17.848 -1.988 2.801 442 HE3 LYS 684 HE1 LYS 684 16.997 -3.288 3.634 443 HZ1 LYS 684 HZ1 LYS 684 17.440 -1.789 5.314 444 HZ2 LYS 684 HZ2 LYS 684 18.968 -1.380 4.701 445 HZ3 LYS 684 HZ3 LYS 684 18.735 -2.874 5.465 446 H ASP 685 HN ASP 685 15.260 -4.184 -1.154 447 HA ASP 685 HA ASP 685 17.167 -2.412 -2.480 448 HB2 ASP 685 HB2 ASP 685 16.922 -4.312 -4.040 449 HB3 ASP 685 HB1 ASP 685 15.168 -4.116 -3.999 450 HA PRO 686 HA PRO 686 13.700 -0.044 -0.696 451 HB2 PRO 686 HB2 PRO 686 15.359 2.136 -1.881 452 HB3 PRO 686 HB1 PRO 686 14.628 2.026 -0.273 453 HG2 PRO 686 HG2 PRO 686 17.231 1.623 -0.596 454 HG3 PRO 686 HG1 PRO 686 16.295 0.617 0.528 455 HD2 PRO 686 HD2 PRO 686 17.332 -0.047 -2.204 456 HD3 PRO 686 HD1 PRO 686 17.191 -1.085 -0.763 457 H GLN 687 HN GLN 687 15.002 0.260 -3.959 458 HA GLN 687 HA GLN 687 12.948 1.937 -4.966 459 HB2 GLN 687 HB2 GLN 687 15.139 1.695 -6.053 460 HB3 GLN 687 HB1 GLN 687 14.770 0.019 -6.427 461 HG2 GLN 687 HG2 GLN 687 14.494 1.469 -8.362 462 HG3 GLN 687 HG1 GLN 687 12.976 0.707 -7.889 463 HE21 GLN 687 HE21 GLN 687 11.294 1.954 -7.174 464 HE22 GLN 687 HE22 GLN 687 11.310 3.684 -7.235 465 H ARG 688 HN ARG 688 13.514 -1.581 -5.323 466 HA ARG 688 HA ARG 688 11.027 -2.025 -6.627 467 HB2 ARG 688 HB2 ARG 688 13.165 -3.496 -6.633 468 HB3 ARG 688 HB1 ARG 688 12.550 -4.142 -5.120 469 HG2 ARG 688 HG2 ARG 688 10.822 -4.137 -7.561 470 HG3 ARG 688 HG1 ARG 688 12.057 -5.373 -7.341 471 HD2 ARG 688 HD2 ARG 688 11.047 -6.130 -5.322 472 HD3 ARG 688 HD1 ARG 688 9.935 -4.763 -5.294 473 HE ARG 688 HE ARG 688 9.130 -5.822 -7.514 474 HH11 ARG 688 HH11 ARG 688 10.233 -7.620 -4.713 475 HH12 ARG 688 HH12 ARG 688 9.168 -8.967 -4.997 476 HH21 ARG 688 HH21 ARG 688 7.749 -7.606 -7.897 477 HH22 ARG 688 HH22 ARG 688 7.779 -8.959 -6.809 478 H SER 689 HN SER 689 12.112 -2.002 -3.311 479 HA SER 689 HA SER 689 9.960 -3.175 -2.022 480 HB2 SER 689 HB2 SER 689 11.479 -0.724 -1.109 481 HB3 SER 689 HB1 SER 689 10.542 -1.813 -0.086 482 HG SER 689 HG SER 689 12.865 -2.480 -1.578 483 H GLY 690 HN GLY 690 10.327 0.304 -2.984 484 HA2 GLY 690 HA2 GLY 690 7.754 1.002 -2.054 485 HA3 GLY 690 HA1 GLY 690 8.773 1.934 -3.150 486 H ASP 691 HN ASP 691 9.004 -0.136 -5.152 487 HA ASP 691 HA ASP 691 6.698 0.466 -6.677 488 HB2 ASP 691 HB2 ASP 691 8.978 -1.447 -7.026 489 HB3 ASP 691 HB1 ASP 691 7.568 -1.592 -8.070 490 H LEU 692 HN LEU 692 7.645 -2.488 -4.911 491 HA LEU 692 HA LEU 692 5.228 -3.821 -5.652 492 HB2 LEU 692 HB2 LEU 692 7.391 -4.968 -5.104 493 HB3 LEU 692 HB1 LEU 692 7.106 -4.570 -3.420 494 HG LEU 692 HG LEU 692 5.053 -5.907 -3.437 495 HD11 LEU 692 HD11 LEU 692 4.375 -5.664 -5.734 496 HD12 LEU 692 HD12 LEU 692 4.596 -7.376 -5.373 497 HD13 LEU 692 HD13 LEU 692 5.824 -6.503 -6.287 498 HD21 LEU 692 HD21 LEU 692 7.495 -7.339 -4.461 499 HD22 LEU 692 HD22 LEU 692 6.109 -8.114 -3.694 500 HD23 LEU 692 HD23 LEU 692 7.105 -6.986 -2.778 501 H TYR 693 HN TYR 693 6.270 -1.911 -2.868 502 HA TYR 693 HA TYR 693 4.019 -2.490 -1.253 503 HB2 TYR 693 HB2 TYR 693 6.186 -0.499 -1.194 504 HB3 TYR 693 HB1 TYR 693 4.660 0.075 -0.513 505 HD1 TYR 693 HD1 TYR 693 3.498 -1.993 0.935 506 HD2 TYR 693 HD2 TYR 693 7.657 -1.237 0.452 507 HE1 TYR 693 HE1 TYR 693 3.951 -3.157 3.051 508 HE2 TYR 693 HE2 TYR 693 8.120 -2.402 2.564 509 HH TYR 693 HH TYR 693 5.795 -4.313 4.158 510 H THR 694 HN THR 694 4.552 -0.141 -3.834 511 HA THR 694 HA THR 694 2.032 1.159 -3.380 512 HB THR 694 HB THR 694 2.452 2.110 -5.737 513 HG1 THR 694 HG1 THR 694 5.110 1.249 -5.278 514 HG21 THR 694 HG21 THR 694 4.126 3.690 -4.885 515 HG22 THR 694 HG22 THR 694 4.450 2.610 -3.529 516 HG23 THR 694 HG23 THR 694 2.867 3.371 -3.693 517 H GLN 695 HN GLN 695 3.206 -1.467 -5.417 518 HA GLN 695 HA GLN 695 0.802 -1.844 -6.877 519 HB2 GLN 695 HB2 GLN 695 2.943 -3.829 -6.072 520 HB3 GLN 695 HB1 GLN 695 1.642 -4.177 -7.203 521 HG2 GLN 695 HG2 GLN 695 2.482 -2.441 -8.704 522 HG3 GLN 695 HG1 GLN 695 3.779 -2.086 -7.564 523 HE21 GLN 695 HE21 GLN 695 2.554 -4.379 -9.894 524 HE22 GLN 695 HE22 GLN 695 4.009 -5.300 -10.039 525 H ALA 696 HN ALA 696 2.033 -3.106 -3.802 526 HA ALA 696 HA ALA 696 -0.161 -4.689 -3.123 527 HB1 ALA 696 HB1 ALA 696 0.649 -4.587 -0.855 528 HB2 ALA 696 HB2 ALA 696 1.628 -3.169 -1.232 529 HB3 ALA 696 HB3 ALA 696 2.020 -4.729 -1.955 530 H ALA 697 HN ALA 697 0.437 -1.188 -2.618 531 HA ALA 697 HA ALA 697 -1.876 -0.741 -1.079 532 HB1 ALA 697 HB1 ALA 697 0.052 0.828 -1.253 533 HB2 ALA 697 HB2 ALA 697 -1.514 1.593 -1.516 534 HB3 ALA 697 HB3 ALA 697 -0.476 1.221 -2.890 535 H GLU 698 HN GLU 698 -1.241 -0.739 -4.552 536 HA GLU 698 HA GLU 698 -3.756 0.183 -5.394 537 HB2 GLU 698 HB2 GLU 698 -1.712 -1.614 -6.678 538 HB3 GLU 698 HB1 GLU 698 -3.252 -1.297 -7.461 539 HG2 GLU 698 HG2 GLU 698 -2.731 1.128 -7.391 540 HG3 GLU 698 HG1 GLU 698 -1.140 0.723 -6.741 541 H ALA 699 HN ALA 699 -2.570 -3.132 -4.823 542 HA ALA 699 HA ALA 699 -5.025 -4.398 -5.396 543 HB1 ALA 699 HB1 ALA 699 -4.048 -6.349 -4.298 544 HB2 ALA 699 HB2 ALA 699 -2.758 -5.341 -3.645 545 HB3 ALA 699 HB3 ALA 699 -2.887 -5.586 -5.385 546 H ALA 700 HN ALA 700 -3.734 -2.876 -2.547 547 HA ALA 700 HA ALA 700 -5.589 -3.962 -0.678 548 HB1 ALA 700 HB1 ALA 700 -4.792 -2.266 0.850 549 HB2 ALA 700 HB2 ALA 700 -4.030 -1.390 -0.477 550 HB3 ALA 700 HB3 ALA 700 -3.431 -2.980 -0.012 551 H MET 701 HN MET 701 -5.414 -0.786 -2.315 552 HA MET 701 HA MET 701 -7.908 0.071 -1.244 553 HB2 MET 701 HB2 MET 701 -7.728 1.974 -2.718 554 HB3 MET 701 HB1 MET 701 -6.156 1.647 -2.006 555 HG2 MET 701 HG2 MET 701 -5.428 0.590 -4.071 556 HG3 MET 701 HG1 MET 701 -7.011 0.885 -4.789 557 HE1 MET 701 HE1 MET 701 -4.263 1.869 -6.192 558 HE2 MET 701 HE2 MET 701 -4.825 3.445 -6.744 559 HE3 MET 701 HE3 MET 701 -5.894 2.045 -6.836 560 H GLU 702 HN GLU 702 -6.971 -1.758 -4.040 561 HA GLU 702 HA GLU 702 -9.467 -1.618 -5.411 562 HB2 GLU 702 HB2 GLU 702 -7.387 -2.317 -6.509 563 HB3 GLU 702 HB1 GLU 702 -7.291 -3.718 -5.455 564 HG2 GLU 702 HG2 GLU 702 -9.431 -4.518 -6.438 565 HG3 GLU 702 HG1 GLU 702 -9.342 -3.178 -7.583 566 H ALA 703 HN ALA 703 -8.140 -3.579 -2.848 567 HA ALA 703 HA ALA 703 -10.437 -5.359 -2.798 568 HB1 ALA 703 HB1 ALA 703 -8.207 -6.289 -2.427 569 HB2 ALA 703 HB2 ALA 703 -9.239 -6.523 -1.017 570 HB3 ALA 703 HB3 ALA 703 -8.010 -5.260 -1.008 571 H MET 704 HN MET 704 -10.370 -2.364 -2.059 572 HA MET 704 HA MET 704 -11.679 -1.023 -0.772 573 HB2 MET 704 HB2 MET 704 -13.237 -3.081 -1.082 574 HB3 MET 704 HB1 MET 704 -12.828 -3.447 0.587 575 HG2 MET 704 HG2 MET 704 -14.896 -2.268 0.540 576 HG3 MET 704 HG1 MET 704 -13.664 -1.214 1.231 577 HE1 MET 704 HE1 MET 704 -15.616 0.696 0.799 578 HE2 MET 704 HE2 MET 704 -16.616 -0.480 -0.052 579 HE3 MET 704 HE3 MET 704 -16.235 1.066 -0.810 580 H LYS 705 HN LYS 705 -9.062 -2.137 0.133 581 HA LYS 705 HA LYS 705 -9.366 -2.053 3.054 582 HB2 LYS 705 HB2 LYS 705 -6.957 -2.852 1.403 583 HB3 LYS 705 HB1 LYS 705 -7.125 -3.008 3.144 584 HG2 LYS 705 HG2 LYS 705 -8.857 -4.441 1.149 585 HG3 LYS 705 HG1 LYS 705 -7.415 -5.128 1.896 586 HD2 LYS 705 HD2 LYS 705 -8.427 -4.864 4.103 587 HD3 LYS 705 HD1 LYS 705 -9.867 -4.159 3.364 588 HE2 LYS 705 HE2 LYS 705 -10.294 -6.233 2.176 589 HE3 LYS 705 HE1 LYS 705 -8.822 -6.940 2.840 590 HZ1 LYS 705 HZ1 LYS 705 -11.202 -6.075 4.393 591 HZ2 LYS 705 HZ2 LYS 705 -9.778 -6.717 5.054 592 HZ3 LYS 705 HZ3 LYS 705 -10.754 -7.680 4.059 593 H GLY 706 HN GLY 706 -9.733 0.292 2.908 594 HA2 GLY 706 HA2 GLY 706 -7.942 2.133 1.826 595 HA3 GLY 706 HA1 GLY 706 -9.038 2.464 3.155 596 H ARG 707 HN ARG 707 -8.109 0.979 5.194 597 HA ARG 707 HA ARG 707 -6.009 2.429 6.275 598 HB2 ARG 707 HB2 ARG 707 -7.660 0.804 7.398 599 HB3 ARG 707 HB1 ARG 707 -6.519 -0.459 6.966 600 HG2 ARG 707 HG2 ARG 707 -6.158 0.207 9.237 601 HG3 ARG 707 HG1 ARG 707 -4.778 0.714 8.260 602 HD2 ARG 707 HD2 ARG 707 -5.635 2.410 9.924 603 HD3 ARG 707 HD1 ARG 707 -5.491 2.972 8.259 604 HE ARG 707 HE ARG 707 -8.018 2.287 8.229 605 HH11 ARG 707 HH11 ARG 707 -6.305 3.825 10.872 606 HH12 ARG 707 HH12 ARG 707 -7.705 4.694 11.420 607 HH21 ARG 707 HH21 ARG 707 -9.828 3.419 8.935 608 HH22 ARG 707 HH22 ARG 707 -9.703 4.485 10.309 609 H LEU 708 HN LEU 708 -5.882 -0.755 4.729 610 HA LEU 708 HA LEU 708 -3.134 -1.200 5.112 611 HB2 LEU 708 HB2 LEU 708 -5.137 -2.327 3.174 612 HB3 LEU 708 HB1 LEU 708 -3.456 -2.809 3.128 613 HG LEU 708 HG LEU 708 -4.737 -4.467 4.316 614 HD11 LEU 708 HD11 LEU 708 -3.110 -2.868 6.277 615 HD12 LEU 708 HD12 LEU 708 -2.460 -3.995 5.087 616 HD13 LEU 708 HD13 LEU 708 -3.504 -4.583 6.381 617 HD21 LEU 708 HD21 LEU 708 -6.616 -3.107 5.043 618 HD22 LEU 708 HD22 LEU 708 -5.575 -2.250 6.179 619 HD23 LEU 708 HD23 LEU 708 -5.906 -3.967 6.408 620 H ALA 709 HN ALA 709 -4.948 0.104 2.356 621 HA ALA 709 HA ALA 709 -2.807 0.451 0.603 622 HB1 ALA 709 HB1 ALA 709 -5.129 0.627 -0.098 623 HB2 ALA 709 HB2 ALA 709 -4.223 2.070 -0.554 624 HB3 ALA 709 HB3 ALA 709 -5.309 2.113 0.836 625 H ASN 710 HN ASN 710 -4.130 2.652 3.054 626 HA ASN 710 HA ASN 710 -2.429 4.828 2.508 627 HB2 ASN 710 HB2 ASN 710 -4.025 3.988 4.902 628 HB3 ASN 710 HB1 ASN 710 -2.871 5.303 5.055 629 HD21 ASN 710 HD21 ASN 710 -5.813 4.248 3.476 630 HD22 ASN 710 HD22 ASN 710 -6.340 5.827 3.004 631 H GLN 711 HN GLN 711 -2.149 2.224 4.912 632 HA GLN 711 HA GLN 711 0.307 2.947 5.998 633 HB2 GLN 711 HB2 GLN 711 -0.985 0.250 5.631 634 HB3 GLN 711 HB1 GLN 711 0.524 0.461 6.503 635 HG2 GLN 711 HG2 GLN 711 -0.516 1.761 8.182 636 HG3 GLN 711 HG1 GLN 711 -1.991 1.932 7.233 637 HE21 GLN 711 HE21 GLN 711 -0.283 -1.099 7.442 638 HE22 GLN 711 HE22 GLN 711 -1.459 -1.920 8.412 639 H TYR 712 HN TYR 712 -0.265 0.562 3.416 640 HA TYR 712 HA TYR 712 2.442 0.065 2.916 641 HB2 TYR 712 HB2 TYR 712 0.103 -0.241 1.029 642 HB3 TYR 712 HB1 TYR 712 1.711 -0.927 0.771 643 HD1 TYR 712 HD1 TYR 712 2.086 -1.610 3.812 644 HD2 TYR 712 HD2 TYR 712 -0.998 -2.376 0.993 645 HE1 TYR 712 HE1 TYR 712 1.426 -3.602 5.087 646 HE2 TYR 712 HE2 TYR 712 -1.667 -4.369 2.259 647 HH TYR 712 HH TYR 712 -0.628 -4.985 5.396 648 H TYR 713 HN TYR 713 0.340 2.592 1.615 649 HA TYR 713 HA TYR 713 2.227 3.424 -0.373 650 HB2 TYR 713 HB2 TYR 713 -0.295 3.991 -0.263 651 HB3 TYR 713 HB1 TYR 713 0.175 5.250 0.876 652 HD1 TYR 713 HD1 TYR 713 1.365 7.219 0.139 653 HD2 TYR 713 HD2 TYR 713 0.393 4.121 -2.608 654 HE1 TYR 713 HE1 TYR 713 1.922 8.711 -1.733 655 HE2 TYR 713 HE2 TYR 713 0.944 5.606 -4.488 656 HH TYR 713 HH TYR 713 1.083 8.034 -4.939 657 H GLN 714 HN GLN 714 1.503 4.381 2.948 658 HA GLN 714 HA GLN 714 3.362 6.502 3.155 659 HB2 GLN 714 HB2 GLN 714 1.479 5.971 4.749 660 HB3 GLN 714 HB1 GLN 714 2.452 4.642 5.355 661 HG2 GLN 714 HG2 GLN 714 4.179 6.235 6.046 662 HG3 GLN 714 HG1 GLN 714 3.174 7.560 5.461 663 HE21 GLN 714 HE21 GLN 714 1.918 4.715 7.042 664 HE22 GLN 714 HE22 GLN 714 1.413 5.500 8.496 665 H LYS 715 HN LYS 715 3.691 3.090 3.104 666 HA LYS 715 HA LYS 715 6.267 3.108 4.452 667 HB2 LYS 715 HB2 LYS 715 4.612 1.254 4.829 668 HB3 LYS 715 HB1 LYS 715 4.819 0.794 3.141 669 HG2 LYS 715 HG2 LYS 715 6.147 -0.662 4.483 670 HG3 LYS 715 HG1 LYS 715 7.232 0.416 3.599 671 HD2 LYS 715 HD2 LYS 715 7.575 1.769 5.556 672 HD3 LYS 715 HD1 LYS 715 6.348 0.865 6.450 673 HE2 LYS 715 HE2 LYS 715 7.734 -1.150 6.288 674 HE3 LYS 715 HE1 LYS 715 8.953 -0.234 5.403 675 HZ1 LYS 715 HZ1 LYS 715 8.071 0.331 8.180 676 HZ2 LYS 715 HZ2 LYS 715 9.278 1.168 7.331 677 HZ3 LYS 715 HZ3 LYS 715 9.502 -0.463 7.750 678 H ALA 716 HN ALA 716 4.834 2.817 1.270 679 HA ALA 716 HA ALA 716 7.171 2.248 -0.194 680 HB1 ALA 716 HB1 ALA 716 4.696 3.781 -0.999 681 HB2 ALA 716 HB2 ALA 716 4.963 2.050 -1.192 682 HB3 ALA 716 HB3 ALA 716 5.931 3.201 -2.113 683 H GLU 717 HN GLU 717 5.610 5.314 0.709 684 HA GLU 717 HA GLU 717 7.500 7.006 -0.475 685 HB2 GLU 717 HB2 GLU 717 5.678 7.423 1.896 686 HB3 GLU 717 HB1 GLU 717 6.617 8.706 1.145 687 HG2 GLU 717 HG2 GLU 717 4.563 7.042 -0.290 688 HG3 GLU 717 HG1 GLU 717 4.250 8.624 0.421 689 H GLU 718 HN GLU 718 7.268 5.656 2.802 690 HA GLU 718 HA GLU 718 9.572 6.795 3.889 691 HB2 GLU 718 HB2 GLU 718 7.951 5.530 5.220 692 HB3 GLU 718 HB1 GLU 718 8.405 4.053 4.387 693 HG2 GLU 718 HG2 GLU 718 10.702 4.313 5.302 694 HG3 GLU 718 HG1 GLU 718 10.122 5.690 6.237 695 H ALA 719 HN ALA 719 9.176 3.825 1.996 696 HA ALA 719 HA ALA 719 11.755 2.816 2.193 697 HB1 ALA 719 HB1 ALA 719 9.897 1.564 1.227 698 HB2 ALA 719 HB2 ALA 719 11.277 1.596 0.130 699 HB3 ALA 719 HB3 ALA 719 9.888 2.639 -0.170 700 H TRP 720 HN TRP 720 10.430 4.949 -0.343 701 HA TRP 720 HA TRP 720 12.978 5.226 -1.614 702 HB2 TRP 720 HB2 TRP 720 10.442 6.839 -1.943 703 HB3 TRP 720 HB1 TRP 720 11.874 7.021 -2.953 704 HD1 TRP 720 HD1 TRP 720 12.389 3.760 -3.141 705 HE1 TRP 720 HE1 TRP 720 10.910 2.433 -4.774 706 HE3 TRP 720 HE3 TRP 720 8.503 7.071 -3.620 707 HZ2 TRP 720 HZ2 TRP 720 8.444 2.744 -6.095 708 HZ3 TRP 720 HZ3 TRP 720 6.632 6.474 -5.091 709 HH2 TRP 720 HH2 TRP 720 6.598 4.357 -6.304 710 H ALA 721 HN ALA 721 11.276 7.097 0.824 711 HA ALA 721 HA ALA 721 12.952 9.395 0.549 712 HB1 ALA 721 HB1 ALA 721 11.871 10.221 2.554 713 HB2 ALA 721 HB2 ALA 721 11.171 8.630 2.852 714 HB3 ALA 721 HB3 ALA 721 10.682 9.557 1.434 715 H GLN 722 HN GLN 722 13.034 6.542 2.630 716 HA GLN 722 HA GLN 722 14.832 7.650 4.526 717 HB2 GLN 722 HB2 GLN 722 13.351 5.782 5.055 718 HB3 GLN 722 HB1 GLN 722 14.183 4.769 3.885 719 HG2 GLN 722 HG2 GLN 722 16.197 4.831 5.205 720 HG3 GLN 722 HG1 GLN 722 15.445 5.940 6.352 721 HE21 GLN 722 HE21 GLN 722 13.846 5.164 7.746 722 HE22 GLN 722 HE22 GLN 722 13.636 3.474 8.043 723 H MET 723 HN MET 723 15.410 5.080 2.128 724 HA MET 723 HA MET 723 17.426 4.185 1.412 725 HB2 MET 723 HB2 MET 723 17.488 7.041 0.445 726 HB3 MET 723 HB1 MET 723 18.501 5.758 -0.196 727 HG2 MET 723 HG2 MET 723 16.432 4.532 -0.834 728 HG3 MET 723 HG1 MET 723 15.502 5.942 -0.327 729 HE1 MET 723 HE1 MET 723 16.894 8.673 -2.823 730 HE2 MET 723 HE2 MET 723 17.597 8.264 -1.259 731 HE3 MET 723 HE3 MET 723 15.845 8.379 -1.437 732 H GLU 724 HN GLU 724 18.064 4.418 3.937 733 HA GLU 724 HA GLU 724 20.783 5.478 3.864 734 HB2 GLU 724 HB2 GLU 724 20.582 6.696 5.906 735 HB3 GLU 724 HB1 GLU 724 19.263 7.216 4.864 736 HG2 GLU 724 HG2 GLU 724 17.730 5.754 6.074 737 HG3 GLU 724 HG1 GLU 724 19.049 5.239 7.123 738 H GLU 725 HN GLU 725 18.815 2.965 4.429 739 HA GLU 725 HA GLU 725 20.378 1.924 6.686 740 HB2 GLU 725 HB2 GLU 725 17.918 2.024 7.011 741 HB3 GLU 725 HB1 GLU 725 17.714 0.961 5.626 742 HG2 GLU 725 HG2 GLU 725 19.093 -0.738 6.842 743 HG3 GLU 725 HG1 GLU 725 19.013 0.311 8.256 Start of MODEL 8 1 H1 GLY 623 HT1 GLY 623 -22.819 -3.231 14.687 2 H2 GLY 623 HT2 GLY 623 -23.896 -3.139 13.392 3 H3 GLY 623 HT3 GLY 623 -22.398 -2.367 13.299 4 HA2 GLY 623 HA1 GLY 623 -22.825 -5.293 13.453 5 HA3 GLY 623 HA2 GLY 623 -22.404 -4.402 12.001 6 H SER 624 HN SER 624 -20.305 -3.908 11.602 7 HA SER 624 HA SER 624 -18.364 -5.174 13.368 8 HB2 SER 624 HB2 SER 624 -18.018 -4.014 10.592 9 HB3 SER 624 HB1 SER 624 -16.816 -4.952 11.476 10 HG SER 624 HG SER 624 -17.727 -6.608 10.576 11 H HIS 625 HN HIS 625 -19.304 -2.977 14.585 12 HA HIS 625 HA HIS 625 -18.570 -1.195 15.781 13 HB2 HIS 625 HB2 HIS 625 -16.351 -2.235 15.819 14 HB3 HIS 625 HB1 HIS 625 -15.980 -1.530 14.251 15 HD1 HIS 625 HD1 HIS 625 -14.644 0.557 14.380 16 HD2 HIS 625 HD2 HIS 625 -16.905 -0.057 17.817 17 HE1 HIS 625 HE1 HIS 625 -14.047 2.440 15.927 18 HE2 HIS 625 HE2 HIS 625 -15.319 1.968 18.048 19 H MET 626 HN MET 626 -17.429 -0.944 12.423 20 HA MET 626 HA MET 626 -19.224 1.192 11.853 21 HB2 MET 626 HB2 MET 626 -17.526 2.505 13.041 22 HB3 MET 626 HB1 MET 626 -16.271 1.852 11.995 23 HG2 MET 626 HG2 MET 626 -16.906 4.111 11.342 24 HG3 MET 626 HG1 MET 626 -17.267 2.943 10.074 25 HE1 MET 626 HE1 MET 626 -20.166 5.443 9.521 26 HE2 MET 626 HE2 MET 626 -18.875 4.505 8.772 27 HE3 MET 626 HE3 MET 626 -18.483 5.799 9.904 28 H SER 627 HN SER 627 -19.762 0.948 9.791 29 HA SER 627 HA SER 627 -18.256 -0.800 8.070 30 HB2 SER 627 HB2 SER 627 -20.644 0.926 7.348 31 HB3 SER 627 HB1 SER 627 -20.072 -0.515 6.506 32 HG SER 627 HG SER 627 -21.527 -0.282 8.868 33 HA PRO 628 HA PRO 628 -15.728 2.264 6.196 34 HB2 PRO 628 HB2 PRO 628 -15.147 1.108 3.836 35 HB3 PRO 628 HB1 PRO 628 -14.552 0.461 5.369 36 HG2 PRO 628 HG2 PRO 628 -16.874 -0.435 3.710 37 HG3 PRO 628 HG1 PRO 628 -15.639 -1.414 4.523 38 HD2 PRO 628 HD2 PRO 628 -18.123 -0.996 5.558 39 HD3 PRO 628 HD1 PRO 628 -16.686 -1.270 6.560 40 H ASP 629 HN ASP 629 -18.165 3.267 6.083 41 HA ASP 629 HA ASP 629 -19.044 3.666 3.353 42 HB2 ASP 629 HB2 ASP 629 -20.677 3.461 5.211 43 HB3 ASP 629 HB1 ASP 629 -20.047 4.952 5.905 44 H ARG 630 HN ARG 630 -17.004 5.246 5.633 45 HA ARG 630 HA ARG 630 -16.975 7.653 3.930 46 HB2 ARG 630 HB2 ARG 630 -16.335 8.905 5.987 47 HB3 ARG 630 HB1 ARG 630 -17.947 8.207 6.051 48 HG2 ARG 630 HG2 ARG 630 -17.003 6.300 7.328 49 HG3 ARG 630 HG1 ARG 630 -15.464 7.158 7.374 50 HD2 ARG 630 HD2 ARG 630 -16.512 8.994 8.574 51 HD3 ARG 630 HD1 ARG 630 -18.072 8.172 8.488 52 HE ARG 630 HE ARG 630 -16.295 6.390 9.658 53 HH11 ARG 630 HH11 ARG 630 -17.661 9.535 10.385 54 HH12 ARG 630 HH12 ARG 630 -17.558 9.325 12.106 55 HH21 ARG 630 HH21 ARG 630 -16.146 6.121 11.921 56 HH22 ARG 630 HH22 ARG 630 -16.679 7.387 12.981 57 H CYS 631 HN CYS 631 -15.269 5.098 4.035 58 HA CYS 631 HA CYS 631 -12.654 6.057 4.716 59 HB2 CYS 631 HB2 CYS 631 -13.571 3.623 3.176 60 HB3 CYS 631 HB1 CYS 631 -11.885 3.968 3.548 61 HG CYS 631 HG CYS 631 -14.101 3.836 6.121 62 H GLN 632 HN GLN 632 -13.065 8.067 3.414 63 HA GLN 632 HA GLN 632 -12.185 7.642 0.630 64 HB2 GLN 632 HB2 GLN 632 -13.837 9.934 1.702 65 HB3 GLN 632 HB1 GLN 632 -13.343 9.706 0.033 66 HG2 GLN 632 HG2 GLN 632 -14.712 7.712 -0.130 67 HG3 GLN 632 HG1 GLN 632 -15.158 7.859 1.570 68 HE21 GLN 632 HE21 GLN 632 -17.342 7.989 1.057 69 HE22 GLN 632 HE22 GLN 632 -18.038 9.414 0.371 70 H ASP 633 HN ASP 633 -11.090 8.524 3.544 71 HA ASP 633 HA ASP 633 -9.832 11.027 3.010 72 HB2 ASP 633 HB2 ASP 633 -9.398 8.975 5.181 73 HB3 ASP 633 HB1 ASP 633 -8.541 10.511 5.117 74 H TRP 634 HN TRP 634 -8.905 7.690 2.626 75 HA TRP 634 HA TRP 634 -6.116 8.077 2.471 76 HB2 TRP 634 HB2 TRP 634 -6.038 5.835 1.454 77 HB3 TRP 634 HB1 TRP 634 -7.071 5.861 2.876 78 HD1 TRP 634 HD1 TRP 634 -9.698 5.518 2.498 79 HE1 TRP 634 HE1 TRP 634 -11.040 4.523 0.545 80 HE3 TRP 634 HE3 TRP 634 -6.072 5.608 -1.111 81 HZ2 TRP 634 HZ2 TRP 634 -10.619 3.854 -2.161 82 HZ3 TRP 634 HZ3 TRP 634 -6.627 4.765 -3.353 83 HH2 TRP 634 HH2 TRP 634 -8.852 3.907 -3.868 84 H LEU 635 HN LEU 635 -8.687 8.551 0.241 85 HA LEU 635 HA LEU 635 -7.263 8.525 -2.177 86 HB2 LEU 635 HB2 LEU 635 -9.734 10.011 -1.302 87 HB3 LEU 635 HB1 LEU 635 -9.121 10.069 -2.945 88 HG LEU 635 HG LEU 635 -9.767 7.439 -1.641 89 HD11 LEU 635 HD11 LEU 635 -11.668 9.224 -3.152 90 HD12 LEU 635 HD12 LEU 635 -11.768 8.810 -1.441 91 HD13 LEU 635 HD13 LEU 635 -11.983 7.558 -2.666 92 HD21 LEU 635 HD21 LEU 635 -10.084 6.768 -3.982 93 HD22 LEU 635 HD22 LEU 635 -8.461 7.388 -3.687 94 HD23 LEU 635 HD23 LEU 635 -9.659 8.399 -4.497 95 H GLU 636 HN GLU 636 -7.862 11.072 0.194 96 HA GLU 636 HA GLU 636 -6.612 13.159 -1.223 97 HB2 GLU 636 HB2 GLU 636 -6.958 12.746 1.747 98 HB3 GLU 636 HB1 GLU 636 -6.384 14.242 1.021 99 HG2 GLU 636 HG2 GLU 636 -8.556 14.287 -0.268 100 HG3 GLU 636 HG1 GLU 636 -9.096 12.980 0.787 101 H ALA 637 HN ALA 637 -5.422 10.827 1.136 102 HA ALA 637 HA ALA 637 -2.786 11.705 1.372 103 HB1 ALA 637 HB1 ALA 637 -3.807 9.989 2.805 104 HB2 ALA 637 HB2 ALA 637 -2.272 9.451 2.123 105 HB3 ALA 637 HB3 ALA 637 -3.793 8.862 1.448 106 H LEU 638 HN LEU 638 -4.226 9.378 -0.868 107 HA LEU 638 HA LEU 638 -1.871 8.751 -2.266 108 HB2 LEU 638 HB2 LEU 638 -4.775 8.382 -2.678 109 HB3 LEU 638 HB1 LEU 638 -3.789 8.306 -4.121 110 HG LEU 638 HG LEU 638 -4.265 6.086 -3.121 111 HD11 LEU 638 HD11 LEU 638 -2.026 5.221 -3.312 112 HD12 LEU 638 HD12 LEU 638 -1.347 6.827 -3.062 113 HD13 LEU 638 HD13 LEU 638 -2.279 6.482 -4.518 114 HD21 LEU 638 HD21 LEU 638 -2.514 7.038 -0.857 115 HD22 LEU 638 HD22 LEU 638 -3.140 5.404 -1.077 116 HD23 LEU 638 HD23 LEU 638 -4.248 6.737 -0.760 117 H HIS 639 HN HIS 639 -4.132 11.400 -2.603 118 HA HIS 639 HA HIS 639 -3.196 12.098 -5.238 119 HB2 HIS 639 HB2 HIS 639 -5.096 13.479 -3.347 120 HB3 HIS 639 HB1 HIS 639 -4.681 14.111 -4.936 121 HD1 HIS 639 HD1 HIS 639 -7.558 13.077 -3.915 122 HD2 HIS 639 HD2 HIS 639 -4.911 11.066 -6.415 123 HE1 HIS 639 HE1 HIS 639 -8.963 11.462 -5.234 124 HE2 HIS 639 HE2 HIS 639 -7.329 10.187 -6.662 125 H TRP 640 HN TRP 640 -2.251 12.879 -2.018 126 HA TRP 640 HA TRP 640 -1.017 15.375 -2.769 127 HB2 TRP 640 HB2 TRP 640 -1.233 13.830 -0.231 128 HB3 TRP 640 HB1 TRP 640 0.076 14.996 -0.385 129 HD1 TRP 640 HD1 TRP 640 -3.649 14.756 0.169 130 HE1 TRP 640 HE1 TRP 640 -4.608 17.108 0.579 131 HE3 TRP 640 HE3 TRP 640 0.464 17.539 -1.071 132 HZ2 TRP 640 HZ2 TRP 640 -3.737 19.786 0.401 133 HZ3 TRP 640 HZ3 TRP 640 0.312 19.991 -0.920 134 HH2 TRP 640 HH2 TRP 640 -1.744 21.087 -0.200 135 H TYR 641 HN TYR 641 0.036 12.068 -2.183 136 HA TYR 641 HA TYR 641 1.928 10.947 -2.770 137 HB2 TYR 641 HB2 TYR 641 1.717 12.277 -4.908 138 HB3 TYR 641 HB1 TYR 641 2.792 13.475 -4.205 139 HD1 TYR 641 HD1 TYR 641 5.129 13.212 -4.333 140 HD2 TYR 641 HD2 TYR 641 2.597 9.929 -5.277 141 HE1 TYR 641 HE1 TYR 641 7.068 11.970 -5.192 142 HE2 TYR 641 HE2 TYR 641 4.530 8.675 -6.132 143 HH TYR 641 HH TYR 641 6.788 9.181 -7.058 144 H ASN 642 HN ASN 642 4.234 10.829 -2.250 145 HA ASN 642 HA ASN 642 5.950 11.005 -0.787 146 HB2 ASN 642 HB2 ASN 642 5.295 13.903 -1.190 147 HB3 ASN 642 HB1 ASN 642 6.551 13.418 -0.060 148 HD21 ASN 642 HD21 ASN 642 7.263 11.079 -1.761 149 HD22 ASN 642 HD22 ASN 642 8.171 11.746 -3.072 150 H THR 643 HN THR 643 3.597 10.237 0.370 151 HA THR 643 HA THR 643 3.375 11.667 2.893 152 HB THR 643 HB THR 643 1.619 9.952 3.395 153 HG1 THR 643 HG1 THR 643 2.413 8.274 2.059 154 HG21 THR 643 HG21 THR 643 1.304 11.410 0.766 155 HG22 THR 643 HG22 THR 643 1.001 12.083 2.369 156 HG23 THR 643 HG23 THR 643 -0.013 10.777 1.755 157 H ALA 644 HN ALA 644 5.819 10.994 2.994 158 HA ALA 644 HA ALA 644 6.328 8.248 3.700 159 HB1 ALA 644 HB1 ALA 644 8.124 10.668 3.681 160 HB2 ALA 644 HB2 ALA 644 7.999 9.428 2.435 161 HB3 ALA 644 HB3 ALA 644 8.658 9.023 4.020 162 H LEU 645 HN LEU 645 7.237 11.217 5.457 163 HA LEU 645 HA LEU 645 6.922 9.745 7.956 164 HB2 LEU 645 HB2 LEU 645 8.093 12.472 7.413 165 HB3 LEU 645 HB1 LEU 645 8.059 11.685 8.980 166 HG LEU 645 HG LEU 645 9.540 10.670 6.551 167 HD11 LEU 645 HD11 LEU 645 11.553 11.296 7.781 168 HD12 LEU 645 HD12 LEU 645 10.559 11.978 9.067 169 HD13 LEU 645 HD13 LEU 645 10.537 12.700 7.459 170 HD21 LEU 645 HD21 LEU 645 9.454 9.670 9.395 171 HD22 LEU 645 HD22 LEU 645 10.564 9.098 8.150 172 HD23 LEU 645 HD23 LEU 645 8.831 8.843 7.967 173 H GLU 646 HN GLU 646 5.176 11.726 5.984 174 HA GLU 646 HA GLU 646 3.654 13.130 7.965 175 HB2 GLU 646 HB2 GLU 646 3.886 14.062 5.733 176 HB3 GLU 646 HB1 GLU 646 3.193 12.612 5.021 177 HG2 GLU 646 HG2 GLU 646 1.056 13.100 6.067 178 HG3 GLU 646 HG1 GLU 646 1.746 14.533 6.829 179 H MET 647 HN MET 647 2.381 12.021 9.318 180 HA MET 647 HA MET 647 1.232 9.498 8.524 181 HB2 MET 647 HB2 MET 647 2.054 9.830 10.833 182 HB3 MET 647 HB1 MET 647 0.822 11.062 11.080 183 HG2 MET 647 HG2 MET 647 0.176 8.911 12.044 184 HG3 MET 647 HG1 MET 647 -0.928 9.420 10.766 185 HE1 MET 647 HE1 MET 647 -1.983 7.104 10.345 186 HE2 MET 647 HE2 MET 647 -1.070 6.471 11.716 187 HE3 MET 647 HE3 MET 647 -1.066 5.606 10.179 188 H THR 648 HN THR 648 -0.225 9.853 6.965 189 HA THR 648 HA THR 648 -2.085 11.967 6.930 190 HB THR 648 HB THR 648 -3.217 10.414 5.191 191 HG1 THR 648 HG1 THR 648 -2.297 8.457 5.747 192 HG21 THR 648 HG21 THR 648 -0.373 11.364 4.805 193 HG22 THR 648 HG22 THR 648 -1.829 12.337 4.596 194 HG23 THR 648 HG23 THR 648 -1.511 10.980 3.514 195 H ASP 649 HN ASP 649 -4.015 12.166 7.845 196 HA ASP 649 HA ASP 649 -5.043 10.087 9.545 197 HB2 ASP 649 HB2 ASP 649 -5.881 12.895 8.901 198 HB3 ASP 649 HB1 ASP 649 -7.008 11.813 9.710 199 H CYS 650 HN CYS 650 -5.527 8.396 8.146 200 HA CYS 650 HA CYS 650 -7.876 8.886 6.448 201 HB2 CYS 650 HB2 CYS 650 -5.641 6.917 5.919 202 HB3 CYS 650 HB1 CYS 650 -7.055 7.177 4.901 203 HG CYS 650 HG CYS 650 -5.815 10.108 5.174 204 H ASP 651 HN ASP 651 -8.196 8.269 9.068 205 HA ASP 651 HA ASP 651 -9.656 5.789 8.882 206 HB2 ASP 651 HB2 ASP 651 -7.555 4.859 9.614 207 HB3 ASP 651 HB1 ASP 651 -7.385 6.094 10.859 208 H GLU 652 HN GLU 652 -11.559 6.168 9.807 209 HA GLU 652 HA GLU 652 -11.806 8.480 11.558 210 HB2 GLU 652 HB2 GLU 652 -13.861 6.778 10.154 211 HB3 GLU 652 HB1 GLU 652 -14.262 8.117 11.221 212 HG2 GLU 652 HG2 GLU 652 -12.623 8.344 8.709 213 HG3 GLU 652 HG1 GLU 652 -14.339 8.723 8.844 214 H GLY 653 HN GLY 653 -10.552 6.950 13.109 215 HA2 GLY 653 HA2 GLY 653 -10.664 6.142 15.254 216 HA3 GLY 653 HA1 GLY 653 -12.402 6.387 15.201 217 H GLY 654 HN GLY 654 -10.222 4.304 13.304 218 HA2 GLY 654 HA2 GLY 654 -10.137 2.012 13.128 219 HA3 GLY 654 HA1 GLY 654 -11.104 1.911 14.589 220 H GLU 655 HN GLU 655 -11.391 2.716 11.142 221 HA GLU 655 HA GLU 655 -14.138 1.718 11.187 222 HB2 GLU 655 HB2 GLU 655 -13.611 3.924 10.118 223 HB3 GLU 655 HB1 GLU 655 -12.656 3.059 8.921 224 HG2 GLU 655 HG2 GLU 655 -14.503 2.144 7.905 225 HG3 GLU 655 HG1 GLU 655 -15.500 2.287 9.350 226 H TYR 656 HN TYR 656 -14.676 -0.194 10.339 227 HA TYR 656 HA TYR 656 -12.492 -1.944 9.609 228 HB2 TYR 656 HB2 TYR 656 -15.399 -2.399 10.237 229 HB3 TYR 656 HB1 TYR 656 -14.380 -3.685 9.603 230 HD1 TYR 656 HD1 TYR 656 -14.259 -1.091 12.304 231 HD2 TYR 656 HD2 TYR 656 -13.418 -5.100 11.153 232 HE1 TYR 656 HE1 TYR 656 -13.466 -1.573 14.579 233 HE2 TYR 656 HE2 TYR 656 -12.623 -5.590 13.429 234 HH TYR 656 HH TYR 656 -13.161 -3.480 16.054 235 H ASP 657 HN ASP 657 -11.836 -1.993 7.613 236 HA ASP 657 HA ASP 657 -13.470 -1.101 5.435 237 HB2 ASP 657 HB2 ASP 657 -11.357 -1.585 4.101 238 HB3 ASP 657 HB1 ASP 657 -11.233 -0.368 5.364 239 H GLY 658 HN GLY 658 -14.521 -3.450 6.543 240 HA2 GLY 658 HA2 GLY 658 -15.629 -5.279 5.665 241 HA3 GLY 658 HA1 GLY 658 -14.837 -4.965 4.131 242 H MET 659 HN MET 659 -12.500 -5.549 4.052 243 HA MET 659 HA MET 659 -10.822 -7.053 4.145 244 HB2 MET 659 HB2 MET 659 -10.689 -6.529 6.510 245 HB3 MET 659 HB1 MET 659 -11.941 -7.711 6.868 246 HG2 MET 659 HG2 MET 659 -9.727 -8.577 7.387 247 HG3 MET 659 HG1 MET 659 -10.497 -9.505 6.100 248 HE1 MET 659 HE1 MET 659 -7.438 -9.818 6.649 249 HE2 MET 659 HE2 MET 659 -6.777 -9.731 5.016 250 HE3 MET 659 HE3 MET 659 -8.273 -10.617 5.318 251 H GLN 660 HN GLN 660 -11.281 -8.401 2.530 252 HA GLN 660 HA GLN 660 -13.046 -10.658 2.889 253 HB2 GLN 660 HB2 GLN 660 -12.321 -11.299 0.624 254 HB3 GLN 660 HB1 GLN 660 -12.868 -9.631 0.688 255 HG2 GLN 660 HG2 GLN 660 -10.522 -8.894 0.766 256 HG3 GLN 660 HG1 GLN 660 -10.012 -10.577 0.621 257 HE21 GLN 660 HE21 GLN 660 -9.562 -8.283 -1.151 258 HE22 GLN 660 HE22 GLN 660 -10.180 -8.750 -2.696 259 H ASP 661 HN ASP 661 -12.286 -12.883 2.633 260 HA ASP 661 HA ASP 661 -10.261 -13.307 4.607 261 HB2 ASP 661 HB2 ASP 661 -11.909 -15.284 3.025 262 HB3 ASP 661 HB1 ASP 661 -10.866 -15.700 4.380 263 H GLU 662 HN GLU 662 -10.068 -12.969 1.311 264 HA GLU 662 HA GLU 662 -7.568 -14.524 1.224 265 HB2 GLU 662 HB2 GLU 662 -9.225 -15.406 -0.337 266 HB3 GLU 662 HB1 GLU 662 -9.446 -13.811 -1.039 267 HG2 GLU 662 HG2 GLU 662 -8.077 -15.250 -2.451 268 HG3 GLU 662 HG1 GLU 662 -7.183 -13.838 -1.893 269 HA PRO 663 HA PRO 663 -6.348 -10.137 0.786 270 HB2 PRO 663 HB2 PRO 663 -4.158 -10.216 2.338 271 HB3 PRO 663 HB1 PRO 663 -5.785 -10.085 3.022 272 HG2 PRO 663 HG2 PRO 663 -4.005 -12.480 2.821 273 HG3 PRO 663 HG1 PRO 663 -5.095 -11.993 4.138 274 HD2 PRO 663 HD2 PRO 663 -5.680 -13.897 2.199 275 HD3 PRO 663 HD1 PRO 663 -6.894 -13.031 3.169 276 H ARG 664 HN ARG 664 -5.512 -9.832 -1.175 277 HA ARG 664 HA ARG 664 -3.271 -11.337 -2.189 278 HB2 ARG 664 HB2 ARG 664 -4.873 -10.716 -3.809 279 HB3 ARG 664 HB1 ARG 664 -4.935 -9.058 -3.232 280 HG2 ARG 664 HG2 ARG 664 -2.747 -8.618 -4.128 281 HG3 ARG 664 HG1 ARG 664 -2.570 -10.306 -4.607 282 HD2 ARG 664 HD2 ARG 664 -3.215 -8.776 -6.466 283 HD3 ARG 664 HD1 ARG 664 -4.334 -10.111 -6.210 284 HE ARG 664 HE ARG 664 -5.629 -8.345 -4.864 285 HH11 ARG 664 HH11 ARG 664 -3.733 -7.653 -7.724 286 HH12 ARG 664 HH12 ARG 664 -4.734 -6.323 -8.217 287 HH21 ARG 664 HH21 ARG 664 -6.944 -6.605 -5.507 288 HH22 ARG 664 HH22 ARG 664 -6.588 -5.747 -6.981 289 H TYR 665 HN TYR 665 -3.879 -8.083 -1.032 290 HA TYR 665 HA TYR 665 -1.446 -6.909 -1.729 291 HB2 TYR 665 HB2 TYR 665 -2.037 -5.195 -0.016 292 HB3 TYR 665 HB1 TYR 665 -3.343 -5.545 -1.150 293 HD1 TYR 665 HD1 TYR 665 -5.342 -6.706 -0.410 294 HD2 TYR 665 HD2 TYR 665 -2.219 -5.794 2.321 295 HE1 TYR 665 HE1 TYR 665 -6.860 -7.165 1.462 296 HE2 TYR 665 HE2 TYR 665 -3.735 -6.245 4.210 297 HH TYR 665 HH TYR 665 -6.090 -6.343 4.696 298 H MET 666 HN MET 666 -2.279 -8.950 0.961 299 HA MET 666 HA MET 666 -0.122 -8.160 2.640 300 HB2 MET 666 HB2 MET 666 -1.949 -10.558 2.631 301 HB3 MET 666 HB1 MET 666 -0.629 -10.399 3.791 302 HG2 MET 666 HG2 MET 666 -1.596 -8.293 4.592 303 HG3 MET 666 HG1 MET 666 -2.921 -8.470 3.444 304 HE1 MET 666 HE1 MET 666 -4.703 -9.126 6.843 305 HE2 MET 666 HE2 MET 666 -4.741 -8.227 5.326 306 HE3 MET 666 HE3 MET 666 -3.439 -7.950 6.484 307 H MET 667 HN MET 667 -0.529 -10.555 0.120 308 HA MET 667 HA MET 667 1.953 -11.875 0.574 309 HB2 MET 667 HB2 MET 667 0.142 -12.927 -0.714 310 HB3 MET 667 HB1 MET 667 0.278 -11.675 -1.938 311 HG2 MET 667 HG2 MET 667 2.584 -12.432 -2.406 312 HG3 MET 667 HG1 MET 667 2.362 -13.736 -1.242 313 HE1 MET 667 HE1 MET 667 -0.260 -12.305 -3.872 314 HE2 MET 667 HE2 MET 667 0.102 -13.351 -5.245 315 HE3 MET 667 HE3 MET 667 1.315 -12.213 -4.658 316 H LEU 668 HN LEU 668 0.848 -9.288 -1.559 317 HA LEU 668 HA LEU 668 3.319 -8.846 -2.853 318 HB2 LEU 668 HB2 LEU 668 0.834 -7.222 -2.488 319 HB3 LEU 668 HB1 LEU 668 2.268 -6.452 -3.138 320 HG LEU 668 HG LEU 668 2.292 -8.056 -5.003 321 HD11 LEU 668 HD11 LEU 668 0.380 -9.528 -5.390 322 HD12 LEU 668 HD12 LEU 668 -0.271 -9.097 -3.809 323 HD13 LEU 668 HD13 LEU 668 1.258 -9.970 -3.926 324 HD21 LEU 668 HD21 LEU 668 1.137 -5.947 -5.279 325 HD22 LEU 668 HD22 LEU 668 -0.341 -6.643 -4.612 326 HD23 LEU 668 HD23 LEU 668 0.294 -7.225 -6.151 327 H ALA 669 HN ALA 669 1.968 -7.645 0.164 328 HA ALA 669 HA ALA 669 4.001 -5.639 0.514 329 HB1 ALA 669 HB1 ALA 669 1.990 -6.733 2.479 330 HB2 ALA 669 HB2 ALA 669 1.765 -5.321 1.448 331 HB3 ALA 669 HB3 ALA 669 2.994 -5.301 2.713 332 H ARG 670 HN ARG 670 3.411 -8.941 1.553 333 HA ARG 670 HA ARG 670 5.511 -9.121 3.432 334 HB2 ARG 670 HB2 ARG 670 3.625 -10.755 3.147 335 HB3 ARG 670 HB1 ARG 670 4.406 -11.322 1.680 336 HG2 ARG 670 HG2 ARG 670 6.217 -12.231 2.870 337 HG3 ARG 670 HG1 ARG 670 5.781 -11.368 4.348 338 HD2 ARG 670 HD2 ARG 670 4.198 -13.578 3.036 339 HD3 ARG 670 HD1 ARG 670 5.156 -13.717 4.511 340 HE ARG 670 HE ARG 670 3.391 -11.691 5.025 341 HH11 ARG 670 HH11 ARG 670 3.075 -15.054 4.076 342 HH12 ARG 670 HH12 ARG 670 1.525 -15.244 4.836 343 HH21 ARG 670 HH21 ARG 670 1.357 -11.938 5.996 344 HH22 ARG 670 HH22 ARG 670 0.541 -13.470 5.919 345 H GLU 671 HN GLU 671 5.323 -9.653 -0.057 346 HA GLU 671 HA GLU 671 7.995 -10.486 -0.469 347 HB2 GLU 671 HB2 GLU 671 6.142 -10.704 -2.128 348 HB3 GLU 671 HB1 GLU 671 6.142 -8.960 -2.324 349 HG2 GLU 671 HG2 GLU 671 7.295 -9.979 -4.159 350 HG3 GLU 671 HG1 GLU 671 8.446 -9.079 -3.173 351 H ALA 672 HN ALA 672 6.385 -7.337 -0.675 352 HA ALA 672 HA ALA 672 8.574 -5.730 -1.237 353 HB1 ALA 672 HB1 ALA 672 6.226 -4.973 0.490 354 HB2 ALA 672 HB2 ALA 672 6.200 -5.020 -1.271 355 HB3 ALA 672 HB3 ALA 672 7.262 -3.889 -0.436 356 H GLU 673 HN GLU 673 7.389 -6.877 1.899 357 HA GLU 673 HA GLU 673 9.178 -5.304 3.435 358 HB2 GLU 673 HB2 GLU 673 7.050 -6.328 4.281 359 HB3 GLU 673 HB1 GLU 673 7.853 -7.892 4.254 360 HG2 GLU 673 HG2 GLU 673 9.394 -7.225 5.929 361 HG3 GLU 673 HG1 GLU 673 8.875 -5.543 5.825 362 H MET 674 HN MET 674 9.354 -8.507 1.998 363 HA MET 674 HA MET 674 11.796 -9.256 3.253 364 HB2 MET 674 HB2 MET 674 10.587 -10.200 0.645 365 HB3 MET 674 HB1 MET 674 11.992 -10.924 1.411 366 HG2 MET 674 HG2 MET 674 10.578 -11.416 3.395 367 HG3 MET 674 HG1 MET 674 9.185 -10.834 2.485 368 HE1 MET 674 HE1 MET 674 11.655 -14.581 1.433 369 HE2 MET 674 HE2 MET 674 11.940 -13.547 2.832 370 HE3 MET 674 HE3 MET 674 12.290 -12.952 1.209 371 H LEU 675 HN LEU 675 10.995 -7.372 0.399 372 HA LEU 675 HA LEU 675 13.707 -7.181 -0.518 373 HB2 LEU 675 HB2 LEU 675 11.088 -6.009 -1.259 374 HB3 LEU 675 HB1 LEU 675 12.499 -5.048 -1.651 375 HG LEU 675 HG LEU 675 11.761 -6.406 -3.549 376 HD11 LEU 675 HD11 LEU 675 13.918 -7.464 -4.068 377 HD12 LEU 675 HD12 LEU 675 14.416 -7.227 -2.394 378 HD13 LEU 675 HD13 LEU 675 14.089 -5.832 -3.423 379 HD21 LEU 675 HD21 LEU 675 10.808 -8.287 -2.314 380 HD22 LEU 675 HD22 LEU 675 12.426 -8.782 -1.818 381 HD23 LEU 675 HD23 LEU 675 11.975 -8.827 -3.521 382 H PHE 676 HN PHE 676 11.601 -5.315 1.564 383 HA PHE 676 HA PHE 676 13.268 -3.005 1.612 384 HB2 PHE 676 HB2 PHE 676 10.799 -2.992 2.058 385 HB3 PHE 676 HB1 PHE 676 11.122 -3.781 3.603 386 HD1 PHE 676 HD1 PHE 676 11.087 -2.410 5.424 387 HD2 PHE 676 HD2 PHE 676 12.424 -0.818 1.708 388 HE1 PHE 676 HE1 PHE 676 11.432 -0.219 6.490 389 HE2 PHE 676 HE2 PHE 676 12.771 1.372 2.771 390 HZ PHE 676 HZ PHE 676 12.242 1.702 5.117 391 H THR 677 HN THR 677 12.677 -5.613 3.999 392 HA THR 677 HA THR 677 14.821 -4.618 5.642 393 HB THR 677 HB THR 677 14.321 -6.570 7.092 394 HG1 THR 677 HG1 THR 677 12.259 -7.089 5.177 395 HG21 THR 677 HG21 THR 677 12.070 -5.834 7.761 396 HG22 THR 677 HG22 THR 677 11.932 -4.928 6.254 397 HG23 THR 677 HG23 THR 677 13.146 -4.473 7.449 398 H GLY 678 HN GLY 678 14.502 -6.864 3.075 399 HA2 GLY 678 HA2 GLY 678 16.117 -8.108 1.985 400 HA3 GLY 678 HA1 GLY 678 17.306 -7.478 3.125 401 H GLY 679 HN GLY 679 18.048 -9.800 2.912 402 HA2 GLY 679 HA2 GLY 679 17.863 -11.120 5.259 403 HA3 GLY 679 HA1 GLY 679 16.482 -11.736 4.368 404 H TYR 680 HN TYR 680 17.628 -13.791 4.651 405 HA TYR 680 HA TYR 680 20.087 -14.239 3.248 406 HB2 TYR 680 HB2 TYR 680 18.082 -16.209 4.386 407 HB3 TYR 680 HB1 TYR 680 19.664 -16.640 3.752 408 HD1 TYR 680 HD1 TYR 680 21.516 -16.676 5.155 409 HD2 TYR 680 HD2 TYR 680 18.036 -14.566 6.399 410 HE1 TYR 680 HE1 TYR 680 22.514 -16.350 7.378 411 HE2 TYR 680 HE2 TYR 680 19.029 -14.233 8.623 412 HH TYR 680 HH TYR 680 22.346 -14.961 9.285 413 H GLY 681 HN GLY 681 19.581 -13.482 1.133 414 HA2 GLY 681 HA2 GLY 681 19.373 -14.823 -0.983 415 HA3 GLY 681 HA1 GLY 681 17.793 -15.301 -0.370 416 H LEU 682 HN LEU 682 17.447 -12.513 0.734 417 HA LEU 682 HA LEU 682 16.753 -11.232 -1.817 418 HB2 LEU 682 HB2 LEU 682 15.454 -11.191 0.881 419 HB3 LEU 682 HB1 LEU 682 15.243 -9.827 -0.195 420 HG LEU 682 HG LEU 682 13.345 -11.325 -0.357 421 HD11 LEU 682 HD11 LEU 682 15.016 -11.565 -2.848 422 HD12 LEU 682 HD12 LEU 682 14.130 -10.120 -2.370 423 HD13 LEU 682 HD13 LEU 682 13.258 -11.609 -2.729 424 HD21 LEU 682 HD21 LEU 682 15.337 -13.432 -1.180 425 HD22 LEU 682 HD22 LEU 682 13.582 -13.598 -1.241 426 HD23 LEU 682 HD23 LEU 682 14.394 -13.406 0.310 427 H GLU 683 HN GLU 683 17.949 -9.570 -2.373 428 HA GLU 683 HA GLU 683 19.632 -8.236 -0.429 429 HB2 GLU 683 HB2 GLU 683 20.378 -8.861 -2.772 430 HB3 GLU 683 HB1 GLU 683 19.302 -7.604 -3.366 431 HG2 GLU 683 HG2 GLU 683 21.581 -6.805 -3.254 432 HG3 GLU 683 HG1 GLU 683 20.560 -5.933 -2.110 433 H LYS 684 HN LYS 684 18.970 -6.500 0.656 434 HA LYS 684 HA LYS 684 16.424 -5.401 0.324 435 HB2 LYS 684 HB2 LYS 684 17.043 -3.737 1.969 436 HB3 LYS 684 HB1 LYS 684 17.657 -5.309 2.455 437 HG2 LYS 684 HG2 LYS 684 19.891 -4.688 1.722 438 HG3 LYS 684 HG1 LYS 684 19.287 -3.130 1.156 439 HD2 LYS 684 HD2 LYS 684 19.198 -4.101 4.014 440 HD3 LYS 684 HD1 LYS 684 20.396 -2.983 3.356 441 HE2 LYS 684 HE2 LYS 684 17.415 -2.497 3.441 442 HE3 LYS 684 HE1 LYS 684 18.583 -1.831 4.578 443 HZ1 LYS 684 HZ1 LYS 684 19.617 -0.613 2.804 444 HZ2 LYS 684 HZ2 LYS 684 17.957 -0.267 2.803 445 HZ3 LYS 684 HZ3 LYS 684 18.606 -1.324 1.652 446 H ASP 685 HN ASP 685 15.621 -3.962 -0.998 447 HA ASP 685 HA ASP 685 17.353 -1.950 -2.232 448 HB2 ASP 685 HB2 ASP 685 17.297 -3.792 -3.858 449 HB3 ASP 685 HB1 ASP 685 15.531 -3.786 -3.817 450 HA PRO 686 HA PRO 686 13.695 0.157 -0.540 451 HB2 PRO 686 HB2 PRO 686 15.190 2.458 -1.699 452 HB3 PRO 686 HB1 PRO 686 14.473 2.279 -0.093 453 HG2 PRO 686 HG2 PRO 686 17.104 2.097 -0.431 454 HG3 PRO 686 HG1 PRO 686 16.257 1.029 0.706 455 HD2 PRO 686 HD2 PRO 686 17.334 0.424 -2.026 456 HD3 PRO 686 HD1 PRO 686 17.283 -0.606 -0.573 457 H GLN 687 HN GLN 687 15.054 0.481 -3.764 458 HA GLN 687 HA GLN 687 12.969 2.079 -4.834 459 HB2 GLN 687 HB2 GLN 687 15.349 1.708 -5.747 460 HB3 GLN 687 HB1 GLN 687 14.713 0.229 -6.449 461 HG2 GLN 687 HG2 GLN 687 13.496 2.922 -6.980 462 HG3 GLN 687 HG1 GLN 687 14.816 2.264 -7.945 463 HE21 GLN 687 HE21 GLN 687 11.999 2.931 -8.616 464 HE22 GLN 687 HE22 GLN 687 11.345 1.489 -9.306 465 H ARG 688 HN ARG 688 13.696 -1.415 -5.144 466 HA ARG 688 HA ARG 688 11.240 -1.965 -6.479 467 HB2 ARG 688 HB2 ARG 688 13.298 -3.398 -6.632 468 HB3 ARG 688 HB1 ARG 688 12.993 -3.920 -4.979 469 HG2 ARG 688 HG2 ARG 688 10.837 -4.839 -5.664 470 HG3 ARG 688 HG1 ARG 688 11.149 -4.326 -7.322 471 HD2 ARG 688 HD2 ARG 688 13.143 -5.772 -7.361 472 HD3 ARG 688 HD1 ARG 688 12.752 -6.318 -5.730 473 HE ARG 688 HE ARG 688 10.728 -6.670 -7.806 474 HH11 ARG 688 HH11 ARG 688 13.234 -8.107 -5.826 475 HH12 ARG 688 HH12 ARG 688 12.625 -9.722 -6.002 476 HH21 ARG 688 HH21 ARG 688 9.951 -8.804 -8.076 477 HH22 ARG 688 HH22 ARG 688 10.766 -10.119 -7.288 478 H SER 689 HN SER 689 12.290 -1.939 -3.137 479 HA SER 689 HA SER 689 10.143 -3.216 -1.928 480 HB2 SER 689 HB2 SER 689 11.624 -0.783 -0.908 481 HB3 SER 689 HB1 SER 689 10.655 -1.891 0.066 482 HG SER 689 HG SER 689 13.072 -2.447 -1.312 483 H GLY 690 HN GLY 690 10.446 0.257 -2.890 484 HA2 GLY 690 HA2 GLY 690 7.851 0.915 -1.972 485 HA3 GLY 690 HA1 GLY 690 8.853 1.856 -3.079 486 H ASP 691 HN ASP 691 9.141 -0.321 -4.996 487 HA ASP 691 HA ASP 691 6.857 0.179 -6.604 488 HB2 ASP 691 HB2 ASP 691 9.045 -0.446 -7.564 489 HB3 ASP 691 HB1 ASP 691 8.898 -2.051 -6.848 490 H LEU 692 HN LEU 692 7.825 -2.599 -4.631 491 HA LEU 692 HA LEU 692 5.505 -4.128 -5.267 492 HB2 LEU 692 HB2 LEU 692 7.569 -4.361 -3.088 493 HB3 LEU 692 HB1 LEU 692 6.249 -5.499 -3.283 494 HG LEU 692 HG LEU 692 8.190 -4.950 -5.511 495 HD11 LEU 692 HD11 LEU 692 8.412 -7.009 -3.320 496 HD12 LEU 692 HD12 LEU 692 9.520 -5.670 -3.621 497 HD13 LEU 692 HD13 LEU 692 9.384 -6.983 -4.791 498 HD21 LEU 692 HD21 LEU 692 6.339 -7.235 -4.852 499 HD22 LEU 692 HD22 LEU 692 7.446 -7.183 -6.226 500 HD23 LEU 692 HD23 LEU 692 6.112 -6.034 -6.124 501 H TYR 693 HN TYR 693 6.361 -1.896 -2.659 502 HA TYR 693 HA TYR 693 4.021 -2.416 -1.131 503 HB2 TYR 693 HB2 TYR 693 6.145 -0.329 -1.059 504 HB3 TYR 693 HB1 TYR 693 4.610 0.038 -0.263 505 HD1 TYR 693 HD1 TYR 693 3.714 -2.093 1.167 506 HD2 TYR 693 HD2 TYR 693 7.788 -1.184 0.344 507 HE1 TYR 693 HE1 TYR 693 4.393 -3.370 3.151 508 HE2 TYR 693 HE2 TYR 693 8.479 -2.463 2.324 509 HH TYR 693 HH TYR 693 6.358 -4.540 3.997 510 H THR 694 HN THR 694 4.727 -0.186 -3.776 511 HA THR 694 HA THR 694 2.268 1.240 -3.507 512 HB THR 694 HB THR 694 2.717 1.844 -5.989 513 HG1 THR 694 HG1 THR 694 5.332 0.948 -5.363 514 HG21 THR 694 HG21 THR 694 3.165 3.330 -4.073 515 HG22 THR 694 HG22 THR 694 4.364 3.510 -5.353 516 HG23 THR 694 HG23 THR 694 4.760 2.597 -3.897 517 H GLN 695 HN GLN 695 3.313 -1.601 -5.332 518 HA GLN 695 HA GLN 695 0.855 -2.011 -6.684 519 HB2 GLN 695 HB2 GLN 695 3.020 -3.954 -5.867 520 HB3 GLN 695 HB1 GLN 695 1.632 -4.400 -6.847 521 HG2 GLN 695 HG2 GLN 695 2.355 -2.685 -8.514 522 HG3 GLN 695 HG1 GLN 695 3.823 -2.468 -7.558 523 HE21 GLN 695 HE21 GLN 695 2.258 -5.568 -7.935 524 HE22 GLN 695 HE22 GLN 695 3.486 -6.285 -8.916 525 H ALA 696 HN ALA 696 2.135 -3.130 -3.568 526 HA ALA 696 HA ALA 696 -0.047 -4.698 -2.817 527 HB1 ALA 696 HB1 ALA 696 0.769 -4.505 -0.553 528 HB2 ALA 696 HB2 ALA 696 1.759 -3.115 -0.995 529 HB3 ALA 696 HB3 ALA 696 2.128 -4.707 -1.659 530 H ALA 697 HN ALA 697 0.529 -1.179 -2.401 531 HA ALA 697 HA ALA 697 -1.800 -0.733 -0.866 532 HB1 ALA 697 HB1 ALA 697 -1.440 1.607 -1.343 533 HB2 ALA 697 HB2 ALA 697 -0.348 1.204 -2.664 534 HB3 ALA 697 HB3 ALA 697 0.111 0.842 -1.002 535 H GLU 698 HN GLU 698 -1.096 -0.776 -4.304 536 HA GLU 698 HA GLU 698 -3.548 0.167 -5.262 537 HB2 GLU 698 HB2 GLU 698 -1.633 -0.103 -6.722 538 HB3 GLU 698 HB1 GLU 698 -1.608 -1.835 -6.432 539 HG2 GLU 698 HG2 GLU 698 -3.837 -1.988 -7.509 540 HG3 GLU 698 HG1 GLU 698 -3.710 -0.275 -7.912 541 H ALA 699 HN ALA 699 -2.440 -3.133 -4.554 542 HA ALA 699 HA ALA 699 -4.876 -4.410 -5.215 543 HB1 ALA 699 HB1 ALA 699 -3.930 -6.354 -4.089 544 HB2 ALA 699 HB2 ALA 699 -2.669 -5.344 -3.383 545 HB3 ALA 699 HB3 ALA 699 -2.729 -5.588 -5.128 546 H ALA 700 HN ALA 700 -3.709 -2.819 -2.373 547 HA ALA 700 HA ALA 700 -5.660 -3.902 -0.573 548 HB1 ALA 700 HB1 ALA 700 -3.986 -1.416 -0.284 549 HB2 ALA 700 HB2 ALA 700 -3.522 -3.033 0.238 550 HB3 ALA 700 HB3 ALA 700 -4.888 -2.219 1.000 551 H MET 701 HN MET 701 -5.298 -0.754 -2.210 552 HA MET 701 HA MET 701 -7.718 0.326 -1.248 553 HB2 MET 701 HB2 MET 701 -7.437 2.067 -2.878 554 HB3 MET 701 HB1 MET 701 -5.844 1.653 -2.262 555 HG2 MET 701 HG2 MET 701 -5.376 0.361 -4.249 556 HG3 MET 701 HG1 MET 701 -7.000 0.665 -4.860 557 HE1 MET 701 HE1 MET 701 -4.881 2.767 -7.336 558 HE2 MET 701 HE2 MET 701 -6.161 1.568 -7.156 559 HE3 MET 701 HE3 MET 701 -4.513 1.178 -6.666 560 H GLU 702 HN GLU 702 -6.928 -1.639 -4.043 561 HA GLU 702 HA GLU 702 -9.461 -1.391 -5.321 562 HB2 GLU 702 HB2 GLU 702 -7.391 -2.056 -6.493 563 HB3 GLU 702 HB1 GLU 702 -7.352 -3.547 -5.567 564 HG2 GLU 702 HG2 GLU 702 -9.320 -4.352 -6.638 565 HG3 GLU 702 HG1 GLU 702 -9.604 -2.790 -7.409 566 H ALA 703 HN ALA 703 -8.154 -3.398 -2.808 567 HA ALA 703 HA ALA 703 -10.473 -5.161 -2.801 568 HB1 ALA 703 HB1 ALA 703 -8.065 -5.145 -0.987 569 HB2 ALA 703 HB2 ALA 703 -8.246 -6.121 -2.443 570 HB3 ALA 703 HB3 ALA 703 -9.308 -6.392 -1.062 571 H MET 704 HN MET 704 -10.436 -2.189 -2.021 572 HA MET 704 HA MET 704 -11.823 -0.921 -0.741 573 HB2 MET 704 HB2 MET 704 -13.365 -2.891 -0.925 574 HB3 MET 704 HB1 MET 704 -12.699 -3.496 0.582 575 HG2 MET 704 HG2 MET 704 -13.509 -1.506 1.741 576 HG3 MET 704 HG1 MET 704 -14.174 -0.897 0.225 577 HE1 MET 704 HE1 MET 704 -15.207 -3.719 -1.044 578 HE2 MET 704 HE2 MET 704 -16.076 -2.189 -1.152 579 HE3 MET 704 HE3 MET 704 -16.902 -3.631 -0.563 580 H LYS 705 HN LYS 705 -9.180 -2.391 0.249 581 HA LYS 705 HA LYS 705 -9.383 -1.954 3.120 582 HB2 LYS 705 HB2 LYS 705 -7.093 -2.935 1.401 583 HB3 LYS 705 HB1 LYS 705 -7.071 -2.853 3.153 584 HG2 LYS 705 HG2 LYS 705 -9.058 -4.496 1.614 585 HG3 LYS 705 HG1 LYS 705 -7.507 -5.117 2.175 586 HD2 LYS 705 HD2 LYS 705 -9.661 -3.949 3.935 587 HD3 LYS 705 HD1 LYS 705 -9.351 -5.669 3.709 588 HE2 LYS 705 HE2 LYS 705 -7.067 -5.339 4.592 589 HE3 LYS 705 HE1 LYS 705 -7.451 -3.645 4.882 590 HZ1 LYS 705 HZ1 LYS 705 -7.707 -4.903 6.894 591 HZ2 LYS 705 HZ2 LYS 705 -8.764 -5.983 6.145 592 HZ3 LYS 705 HZ3 LYS 705 -9.231 -4.369 6.377 593 H GLY 706 HN GLY 706 -9.819 0.406 2.388 594 HA2 GLY 706 HA2 GLY 706 -7.926 2.068 1.257 595 HA3 GLY 706 HA1 GLY 706 -9.148 2.593 2.399 596 H ARG 707 HN ARG 707 -8.293 1.373 4.752 597 HA ARG 707 HA ARG 707 -6.314 3.231 5.547 598 HB2 ARG 707 HB2 ARG 707 -8.047 2.247 7.060 599 HB3 ARG 707 HB1 ARG 707 -7.142 0.738 7.042 600 HG2 ARG 707 HG2 ARG 707 -5.267 1.770 8.111 601 HG3 ARG 707 HG1 ARG 707 -6.000 3.367 7.960 602 HD2 ARG 707 HD2 ARG 707 -6.325 2.682 10.201 603 HD3 ARG 707 HD1 ARG 707 -7.882 2.522 9.391 604 HE ARG 707 HE ARG 707 -6.295 0.108 9.457 605 HH11 ARG 707 HH11 ARG 707 -8.784 2.024 11.029 606 HH12 ARG 707 HH12 ARG 707 -9.351 0.689 11.995 607 HH21 ARG 707 HH21 ARG 707 -7.056 -1.625 10.736 608 HH22 ARG 707 HH22 ARG 707 -8.381 -1.371 11.827 609 H LEU 708 HN LEU 708 -6.153 -0.243 4.862 610 HA LEU 708 HA LEU 708 -3.420 -0.569 5.496 611 HB2 LEU 708 HB2 LEU 708 -5.405 -2.103 3.882 612 HB3 LEU 708 HB1 LEU 708 -3.709 -2.499 3.709 613 HG LEU 708 HG LEU 708 -4.893 -3.965 5.312 614 HD11 LEU 708 HD11 LEU 708 -2.489 -3.610 5.504 615 HD12 LEU 708 HD12 LEU 708 -3.237 -3.847 7.083 616 HD13 LEU 708 HD13 LEU 708 -2.774 -2.228 6.562 617 HD21 LEU 708 HD21 LEU 708 -5.158 -1.463 6.974 618 HD22 LEU 708 HD22 LEU 708 -5.559 -3.103 7.489 619 HD23 LEU 708 HD23 LEU 708 -6.481 -2.333 6.199 620 H ALA 709 HN ALA 709 -5.118 0.220 2.507 621 HA ALA 709 HA ALA 709 -2.959 0.300 0.755 622 HB1 ALA 709 HB1 ALA 709 -5.289 0.465 0.033 623 HB2 ALA 709 HB2 ALA 709 -4.310 1.777 -0.625 624 HB3 ALA 709 HB3 ALA 709 -5.390 2.080 0.737 625 H ASN 710 HN ASN 710 -4.302 2.875 2.790 626 HA ASN 710 HA ASN 710 -2.502 4.889 2.090 627 HB2 ASN 710 HB2 ASN 710 -4.522 5.334 3.394 628 HB3 ASN 710 HB1 ASN 710 -3.875 4.408 4.744 629 HD21 ASN 710 HD21 ASN 710 -1.980 6.597 2.748 630 HD22 ASN 710 HD22 ASN 710 -1.696 7.770 3.987 631 H GLN 711 HN GLN 711 -2.326 2.520 4.749 632 HA GLN 711 HA GLN 711 0.103 3.350 5.825 633 HB2 GLN 711 HB2 GLN 711 -1.374 1.776 6.947 634 HB3 GLN 711 HB1 GLN 711 -1.066 0.568 5.708 635 HG2 GLN 711 HG2 GLN 711 1.303 0.537 6.374 636 HG3 GLN 711 HG1 GLN 711 0.933 1.684 7.662 637 HE21 GLN 711 HE21 GLN 711 0.571 -1.596 6.549 638 HE22 GLN 711 HE22 GLN 711 0.011 -2.252 8.049 639 H TYR 712 HN TYR 712 -0.428 0.691 3.491 640 HA TYR 712 HA TYR 712 2.281 0.145 3.066 641 HB2 TYR 712 HB2 TYR 712 -0.043 -0.252 1.177 642 HB3 TYR 712 HB1 TYR 712 1.580 -0.899 0.905 643 HD1 TYR 712 HD1 TYR 712 2.354 -1.876 3.543 644 HD2 TYR 712 HD2 TYR 712 -1.410 -2.053 1.588 645 HE1 TYR 712 HE1 TYR 712 1.772 -3.871 4.858 646 HE2 TYR 712 HE2 TYR 712 -2.008 -4.040 2.894 647 HH TYR 712 HH TYR 712 -0.319 -5.019 5.622 648 H TYR 713 HN TYR 713 0.211 2.590 1.604 649 HA TYR 713 HA TYR 713 2.096 3.333 -0.405 650 HB2 TYR 713 HB2 TYR 713 -0.355 3.879 -0.498 651 HB3 TYR 713 HB1 TYR 713 -0.096 5.047 0.795 652 HD1 TYR 713 HD1 TYR 713 0.553 7.234 0.286 653 HD2 TYR 713 HD2 TYR 713 1.013 4.183 -2.640 654 HE1 TYR 713 HE1 TYR 713 1.196 8.929 -1.373 655 HE2 TYR 713 HE2 TYR 713 1.657 5.868 -4.308 656 HH TYR 713 HH TYR 713 2.646 8.875 -3.563 657 H GLN 714 HN GLN 714 1.379 4.420 2.872 658 HA GLN 714 HA GLN 714 3.235 6.543 2.993 659 HB2 GLN 714 HB2 GLN 714 1.472 6.296 4.648 660 HB3 GLN 714 HB1 GLN 714 2.124 4.747 5.159 661 HG2 GLN 714 HG2 GLN 714 4.152 5.881 5.946 662 HG3 GLN 714 HG1 GLN 714 3.446 7.430 5.482 663 HE21 GLN 714 HE21 GLN 714 1.755 8.278 6.690 664 HE22 GLN 714 HE22 GLN 714 1.337 7.665 8.258 665 H LYS 715 HN LYS 715 3.581 3.131 3.047 666 HA LYS 715 HA LYS 715 6.178 3.208 4.361 667 HB2 LYS 715 HB2 LYS 715 4.729 1.338 4.945 668 HB3 LYS 715 HB1 LYS 715 4.546 0.914 3.246 669 HG2 LYS 715 HG2 LYS 715 6.062 -0.624 4.306 670 HG3 LYS 715 HG1 LYS 715 6.935 0.362 3.133 671 HD2 LYS 715 HD2 LYS 715 8.238 0.086 5.165 672 HD3 LYS 715 HD1 LYS 715 7.781 1.775 4.953 673 HE2 LYS 715 HE2 LYS 715 5.975 1.497 6.569 674 HE3 LYS 715 HE1 LYS 715 6.382 -0.209 6.753 675 HZ1 LYS 715 HZ1 LYS 715 8.492 0.391 7.680 676 HZ2 LYS 715 HZ2 LYS 715 7.285 1.212 8.531 677 HZ3 LYS 715 HZ3 LYS 715 8.223 2.037 7.385 678 H ALA 716 HN ALA 716 4.691 2.823 1.217 679 HA ALA 716 HA ALA 716 7.014 2.193 -0.256 680 HB1 ALA 716 HB1 ALA 716 4.775 1.922 -1.190 681 HB2 ALA 716 HB2 ALA 716 5.741 2.995 -2.203 682 HB3 ALA 716 HB3 ALA 716 4.524 3.664 -1.119 683 H GLU 717 HN GLU 717 5.370 5.280 0.393 684 HA GLU 717 HA GLU 717 7.249 6.948 -0.808 685 HB2 GLU 717 HB2 GLU 717 5.378 7.424 1.513 686 HB3 GLU 717 HB1 GLU 717 6.289 8.696 0.712 687 HG2 GLU 717 HG2 GLU 717 4.403 6.899 -0.775 688 HG3 GLU 717 HG1 GLU 717 3.871 8.382 0.015 689 H GLU 718 HN GLU 718 6.999 5.745 2.527 690 HA GLU 718 HA GLU 718 9.213 7.078 3.594 691 HB2 GLU 718 HB2 GLU 718 7.555 5.825 4.932 692 HB3 GLU 718 HB1 GLU 718 8.189 4.320 4.288 693 HG2 GLU 718 HG2 GLU 718 10.359 4.809 5.338 694 HG3 GLU 718 HG1 GLU 718 9.670 6.280 6.026 695 H ALA 719 HN ALA 719 8.993 3.989 1.888 696 HA ALA 719 HA ALA 719 11.637 3.150 2.186 697 HB1 ALA 719 HB1 ALA 719 9.779 2.657 -0.137 698 HB2 ALA 719 HB2 ALA 719 9.873 1.696 1.340 699 HB3 ALA 719 HB3 ALA 719 11.241 1.741 0.228 700 H TRP 720 HN TRP 720 10.165 5.008 -0.492 701 HA TRP 720 HA TRP 720 12.675 5.307 -1.832 702 HB2 TRP 720 HB2 TRP 720 10.008 6.665 -2.228 703 HB3 TRP 720 HB1 TRP 720 11.419 7.014 -3.220 704 HD1 TRP 720 HD1 TRP 720 12.306 3.803 -3.318 705 HE1 TRP 720 HE1 TRP 720 11.039 2.313 -4.995 706 HE3 TRP 720 HE3 TRP 720 8.120 6.687 -4.009 707 HZ2 TRP 720 HZ2 TRP 720 8.620 2.357 -6.425 708 HZ3 TRP 720 HZ3 TRP 720 6.387 5.888 -5.550 709 HH2 TRP 720 HH2 TRP 720 6.631 3.767 -6.735 710 H ALA 721 HN ALA 721 10.786 7.371 0.324 711 HA ALA 721 HA ALA 721 12.329 9.704 -0.119 712 HB1 ALA 721 HB1 ALA 721 10.588 9.012 2.239 713 HB2 ALA 721 HB2 ALA 721 10.055 9.799 0.752 714 HB3 ALA 721 HB3 ALA 721 11.190 10.617 1.826 715 H GLN 722 HN GLN 722 12.655 7.010 2.130 716 HA GLN 722 HA GLN 722 14.682 8.448 3.628 717 HB2 GLN 722 HB2 GLN 722 13.051 6.895 4.722 718 HB3 GLN 722 HB1 GLN 722 13.850 5.560 3.901 719 HG2 GLN 722 HG2 GLN 722 15.918 6.044 5.059 720 HG3 GLN 722 HG1 GLN 722 15.177 7.439 5.839 721 HE21 GLN 722 HE21 GLN 722 13.550 4.376 5.318 722 HE22 GLN 722 HE22 GLN 722 13.444 3.940 6.987 723 H MET 723 HN MET 723 14.607 5.362 1.815 724 HA MET 723 HA MET 723 16.339 4.000 1.174 725 HB2 MET 723 HB2 MET 723 17.189 6.651 -0.007 726 HB3 MET 723 HB1 MET 723 17.883 5.100 -0.460 727 HG2 MET 723 HG2 MET 723 15.613 4.360 -1.152 728 HG3 MET 723 HG1 MET 723 15.037 5.995 -0.840 729 HE1 MET 723 HE1 MET 723 15.719 8.104 -2.230 730 HE2 MET 723 HE2 MET 723 16.928 8.095 -3.514 731 HE3 MET 723 HE3 MET 723 17.416 7.814 -1.843 732 H GLU 724 HN GLU 724 16.697 4.638 3.755 733 HA GLU 724 HA GLU 724 19.561 4.660 4.118 734 HB2 GLU 724 HB2 GLU 724 17.807 6.864 5.212 735 HB3 GLU 724 HB1 GLU 724 19.378 6.475 5.896 736 HG2 GLU 724 HG2 GLU 724 20.423 6.980 3.735 737 HG3 GLU 724 HG1 GLU 724 18.841 7.408 3.086 738 H GLU 725 HN GLU 725 18.399 2.502 4.588 739 HA GLU 725 HA GLU 725 17.059 2.390 7.153 740 HB2 GLU 725 HB2 GLU 725 17.850 0.163 5.263 741 HB3 GLU 725 HB1 GLU 725 16.877 -0.033 6.710 742 HG2 GLU 725 HG2 GLU 725 15.356 -0.026 4.930 743 HG3 GLU 725 HG1 GLU 725 15.229 1.576 5.655 Start of MODEL 9 1 H1 GLY 623 HT1 GLY 623 -27.052 -0.517 6.643 2 H2 GLY 623 HT2 GLY 623 -28.489 -1.301 6.238 3 H3 GLY 623 HT3 GLY 623 -27.053 -2.182 6.353 4 HA2 GLY 623 HA1 GLY 623 -28.450 -0.829 8.590 5 HA3 GLY 623 HA2 GLY 623 -28.423 -2.561 8.293 6 H SER 624 HN SER 624 -27.221 -3.435 9.863 7 HA SER 624 HA SER 624 -24.932 -2.068 10.953 8 HB2 SER 624 HB2 SER 624 -26.049 -4.834 11.464 9 HB3 SER 624 HB1 SER 624 -24.715 -4.111 12.362 10 HG SER 624 HG SER 624 -27.267 -3.865 12.870 11 H HIS 625 HN HIS 625 -24.074 -2.021 8.644 12 HA HIS 625 HA HIS 625 -22.188 -4.249 8.339 13 HB2 HIS 625 HB2 HIS 625 -24.172 -3.273 6.383 14 HB3 HIS 625 HB1 HIS 625 -22.545 -3.490 5.750 15 HD1 HIS 625 HD1 HIS 625 -22.367 -5.661 4.643 16 HD2 HIS 625 HD2 HIS 625 -24.813 -5.866 7.992 17 HE1 HIS 625 HE1 HIS 625 -23.117 -8.052 4.782 18 HE2 HIS 625 HE2 HIS 625 -24.770 -8.092 6.678 19 H MET 626 HN MET 626 -20.168 -3.670 7.575 20 HA MET 626 HA MET 626 -19.617 -0.799 7.477 21 HB2 MET 626 HB2 MET 626 -17.788 -3.200 7.634 22 HB3 MET 626 HB1 MET 626 -17.204 -1.562 7.403 23 HG2 MET 626 HG2 MET 626 -16.962 -2.061 9.691 24 HG3 MET 626 HG1 MET 626 -18.325 -0.955 9.555 25 HE1 MET 626 HE1 MET 626 -17.558 -2.813 12.089 26 HE2 MET 626 HE2 MET 626 -19.155 -3.353 12.601 27 HE3 MET 626 HE3 MET 626 -18.904 -1.676 12.118 28 H SER 627 HN SER 627 -20.797 -0.684 5.440 29 HA SER 627 HA SER 627 -19.719 -2.069 3.155 30 HB2 SER 627 HB2 SER 627 -21.466 -0.654 1.934 31 HB3 SER 627 HB1 SER 627 -22.080 -1.789 3.136 32 HG SER 627 HG SER 627 -22.790 0.587 3.087 33 HA PRO 628 HA PRO 628 -16.883 1.189 1.905 34 HB2 PRO 628 HB2 PRO 628 -17.211 0.120 -0.812 35 HB3 PRO 628 HB1 PRO 628 -15.758 0.205 0.186 36 HG2 PRO 628 HG2 PRO 628 -16.979 -2.125 -0.349 37 HG3 PRO 628 HG1 PRO 628 -16.175 -1.813 1.200 38 HD2 PRO 628 HD2 PRO 628 -19.094 -1.746 0.533 39 HD3 PRO 628 HD1 PRO 628 -18.278 -2.393 1.972 40 H ASP 629 HN ASP 629 -18.969 2.476 2.335 41 HA ASP 629 HA ASP 629 -20.317 3.365 -0.093 42 HB2 ASP 629 HB2 ASP 629 -21.760 2.974 1.785 43 HB3 ASP 629 HB1 ASP 629 -20.759 3.972 2.833 44 H ARG 630 HN ARG 630 -17.951 4.463 2.209 45 HA ARG 630 HA ARG 630 -17.818 7.048 0.803 46 HB2 ARG 630 HB2 ARG 630 -18.602 6.933 3.281 47 HB3 ARG 630 HB1 ARG 630 -16.906 6.643 3.633 48 HG2 ARG 630 HG2 ARG 630 -16.366 8.774 2.464 49 HG3 ARG 630 HG1 ARG 630 -18.102 9.072 2.324 50 HD2 ARG 630 HD2 ARG 630 -17.313 10.240 4.253 51 HD3 ARG 630 HD1 ARG 630 -18.256 8.856 4.803 52 HE ARG 630 HE ARG 630 -15.318 8.708 4.642 53 HH11 ARG 630 HH11 ARG 630 -18.278 8.489 6.510 54 HH12 ARG 630 HH12 ARG 630 -17.492 7.863 7.921 55 HH21 ARG 630 HH21 ARG 630 -14.277 7.905 6.492 56 HH22 ARG 630 HH22 ARG 630 -15.207 7.526 7.915 57 H CYS 631 HN CYS 631 -16.426 5.245 -0.438 58 HA CYS 631 HA CYS 631 -13.868 4.635 0.647 59 HB2 CYS 631 HB2 CYS 631 -14.862 4.538 -2.205 60 HB3 CYS 631 HB1 CYS 631 -13.345 3.845 -1.637 61 HG CYS 631 HG CYS 631 -14.504 1.942 -0.001 62 H GLN 632 HN GLN 632 -15.073 7.521 -0.530 63 HA GLN 632 HA GLN 632 -12.968 8.565 -2.032 64 HB2 GLN 632 HB2 GLN 632 -13.807 10.774 -1.433 65 HB3 GLN 632 HB1 GLN 632 -15.135 9.691 -1.821 66 HG2 GLN 632 HG2 GLN 632 -15.709 9.448 0.474 67 HG3 GLN 632 HG1 GLN 632 -14.240 10.277 0.986 68 HE21 GLN 632 HE21 GLN 632 -14.096 12.506 0.752 69 HE22 GLN 632 HE22 GLN 632 -15.494 13.492 0.508 70 H ASP 633 HN ASP 633 -13.263 8.003 1.367 71 HA ASP 633 HA ASP 633 -11.484 9.772 2.487 72 HB2 ASP 633 HB2 ASP 633 -12.139 6.918 3.177 73 HB3 ASP 633 HB1 ASP 633 -11.013 7.867 4.141 74 H TRP 634 HN TRP 634 -10.708 6.543 1.183 75 HA TRP 634 HA TRP 634 -7.889 7.148 1.485 76 HB2 TRP 634 HB2 TRP 634 -7.579 4.789 0.605 77 HB3 TRP 634 HB1 TRP 634 -8.385 4.948 2.156 78 HD1 TRP 634 HD1 TRP 634 -10.848 4.052 2.352 79 HE1 TRP 634 HE1 TRP 634 -12.338 2.624 0.812 80 HE3 TRP 634 HE3 TRP 634 -8.141 4.442 -1.983 81 HZ2 TRP 634 HZ2 TRP 634 -12.363 1.796 -1.880 82 HZ3 TRP 634 HZ3 TRP 634 -8.978 3.293 -3.992 83 HH2 TRP 634 HH2 TRP 634 -11.044 1.999 -3.939 84 H LEU 635 HN LEU 635 -10.271 6.810 -1.038 85 HA LEU 635 HA LEU 635 -8.539 6.545 -3.229 86 HB2 LEU 635 HB2 LEU 635 -11.023 6.152 -3.193 87 HB3 LEU 635 HB1 LEU 635 -11.243 7.890 -3.209 88 HG LEU 635 HG LEU 635 -9.693 6.532 -5.396 89 HD11 LEU 635 HD11 LEU 635 -12.686 6.866 -5.247 90 HD12 LEU 635 HD12 LEU 635 -11.804 5.340 -5.248 91 HD13 LEU 635 HD13 LEU 635 -11.779 6.374 -6.677 92 HD21 LEU 635 HD21 LEU 635 -11.375 9.039 -5.311 93 HD22 LEU 635 HD22 LEU 635 -10.471 8.441 -6.703 94 HD23 LEU 635 HD23 LEU 635 -9.612 8.976 -5.258 95 H GLU 636 HN GLU 636 -10.008 9.417 -1.766 96 HA GLU 636 HA GLU 636 -8.685 11.231 -3.522 97 HB2 GLU 636 HB2 GLU 636 -10.776 11.823 -2.404 98 HB3 GLU 636 HB1 GLU 636 -9.995 11.671 -0.837 99 HG2 GLU 636 HG2 GLU 636 -8.548 13.541 -1.348 100 HG3 GLU 636 HG1 GLU 636 -9.269 13.680 -2.952 101 H ALA 637 HN ALA 637 -8.064 9.941 -0.313 102 HA ALA 637 HA ALA 637 -6.008 11.592 0.523 103 HB1 ALA 637 HB1 ALA 637 -6.228 8.629 1.032 104 HB2 ALA 637 HB2 ALA 637 -7.092 9.881 1.928 105 HB3 ALA 637 HB3 ALA 637 -5.330 9.801 1.999 106 H LEU 638 HN LEU 638 -5.743 8.526 -1.288 107 HA LEU 638 HA LEU 638 -2.918 8.625 -1.445 108 HB2 LEU 638 HB2 LEU 638 -5.049 6.933 -2.521 109 HB3 LEU 638 HB1 LEU 638 -3.643 7.050 -3.563 110 HG LEU 638 HG LEU 638 -2.210 6.298 -1.702 111 HD11 LEU 638 HD11 LEU 638 -3.245 5.357 0.312 112 HD12 LEU 638 HD12 LEU 638 -4.810 5.967 -0.219 113 HD13 LEU 638 HD13 LEU 638 -3.514 7.094 0.179 114 HD21 LEU 638 HD21 LEU 638 -2.963 3.972 -1.675 115 HD22 LEU 638 HD22 LEU 638 -3.078 4.674 -3.289 116 HD23 LEU 638 HD23 LEU 638 -4.530 4.473 -2.309 117 H HIS 639 HN HIS 639 -5.225 10.436 -3.107 118 HA HIS 639 HA HIS 639 -3.784 10.703 -5.575 119 HB2 HIS 639 HB2 HIS 639 -6.280 11.100 -5.251 120 HB3 HIS 639 HB1 HIS 639 -5.847 12.622 -4.484 121 HD1 HIS 639 HD1 HIS 639 -6.907 11.387 -7.605 122 HD2 HIS 639 HD2 HIS 639 -4.048 14.169 -6.444 123 HE1 HIS 639 HE1 HIS 639 -6.497 12.818 -9.627 124 HE2 HIS 639 HE2 HIS 639 -4.617 14.351 -8.959 125 H TRP 640 HN TRP 640 -4.089 12.605 -2.592 126 HA TRP 640 HA TRP 640 -1.996 14.412 -3.591 127 HB2 TRP 640 HB2 TRP 640 -2.711 15.945 -1.782 128 HB3 TRP 640 HB1 TRP 640 -4.014 15.559 -2.897 129 HD1 TRP 640 HD1 TRP 640 -6.120 14.319 -1.938 130 HE1 TRP 640 HE1 TRP 640 -6.905 13.725 0.438 131 HE3 TRP 640 HE3 TRP 640 -1.776 15.230 0.611 132 HZ2 TRP 640 HZ2 TRP 640 -5.833 13.656 3.043 133 HZ3 TRP 640 HZ3 TRP 640 -1.747 14.876 3.048 134 HH2 TRP 640 HH2 TRP 640 -3.734 14.105 4.236 135 H TYR 641 HN TYR 641 -2.215 11.700 -1.770 136 HA TYR 641 HA TYR 641 -0.872 12.373 0.609 137 HB2 TYR 641 HB2 TYR 641 -2.193 10.211 0.008 138 HB3 TYR 641 HB1 TYR 641 -0.650 9.640 -0.622 139 HD1 TYR 641 HD1 TYR 641 1.191 9.127 0.893 140 HD2 TYR 641 HD2 TYR 641 -2.528 10.558 2.381 141 HE1 TYR 641 HE1 TYR 641 1.840 8.440 3.162 142 HE2 TYR 641 HE2 TYR 641 -1.885 9.880 4.654 143 HH TYR 641 HH TYR 641 1.292 8.991 5.477 144 H ASN 642 HN ASN 642 1.094 13.057 0.846 145 HA ASN 642 HA ASN 642 3.317 11.714 -0.412 146 HB2 ASN 642 HB2 ASN 642 2.775 13.475 -2.059 147 HB3 ASN 642 HB1 ASN 642 2.884 14.692 -0.794 148 HD21 ASN 642 HD21 ASN 642 5.059 11.943 -1.073 149 HD22 ASN 642 HD22 ASN 642 6.462 12.875 -1.475 150 H THR 643 HN THR 643 3.583 11.092 1.776 151 HA THR 643 HA THR 643 5.272 12.695 3.328 152 HB THR 643 HB THR 643 3.435 14.106 3.857 153 HG1 THR 643 HG1 THR 643 3.299 13.805 6.109 154 HG21 THR 643 HG21 THR 643 1.328 13.265 4.833 155 HG22 THR 643 HG22 THR 643 1.874 11.615 4.529 156 HG23 THR 643 HG23 THR 643 1.586 12.712 3.178 157 H ALA 644 HN ALA 644 6.504 11.132 4.066 158 HA ALA 644 HA ALA 644 5.591 8.459 4.422 159 HB1 ALA 644 HB1 ALA 644 8.235 9.692 5.168 160 HB2 ALA 644 HB2 ALA 644 7.836 8.979 3.605 161 HB3 ALA 644 HB3 ALA 644 7.887 7.967 5.049 162 H LEU 645 HN LEU 645 5.806 11.171 6.519 163 HA LEU 645 HA LEU 645 5.218 9.411 8.800 164 HB2 LEU 645 HB2 LEU 645 6.771 12.000 8.839 165 HB3 LEU 645 HB1 LEU 645 6.279 11.112 10.267 166 HG LEU 645 HG LEU 645 8.168 10.075 8.150 167 HD11 LEU 645 HD11 LEU 645 8.723 11.108 10.926 168 HD12 LEU 645 HD12 LEU 645 9.140 11.917 9.417 169 HD13 LEU 645 HD13 LEU 645 9.905 10.384 9.836 170 HD21 LEU 645 HD21 LEU 645 7.335 8.941 10.819 171 HD22 LEU 645 HD22 LEU 645 8.625 8.304 9.800 172 HD23 LEU 645 HD23 LEU 645 6.958 8.277 9.230 173 H GLU 646 HN GLU 646 2.987 9.644 8.371 174 HA GLU 646 HA GLU 646 1.924 12.305 9.043 175 HB2 GLU 646 HB2 GLU 646 1.779 11.850 6.604 176 HB3 GLU 646 HB1 GLU 646 0.808 10.428 6.955 177 HG2 GLU 646 HG2 GLU 646 -0.525 12.375 6.254 178 HG3 GLU 646 HG1 GLU 646 -0.951 11.786 7.862 179 H MET 647 HN MET 647 -0.155 12.323 10.014 180 HA MET 647 HA MET 647 -1.111 9.738 11.022 181 HB2 MET 647 HB2 MET 647 0.282 10.861 12.763 182 HB3 MET 647 HB1 MET 647 -0.832 12.219 12.729 183 HG2 MET 647 HG2 MET 647 -1.292 10.761 14.610 184 HG3 MET 647 HG1 MET 647 -2.640 10.767 13.475 185 HE1 MET 647 HE1 MET 647 -2.584 7.113 14.979 186 HE2 MET 647 HE2 MET 647 -3.549 8.574 14.768 187 HE3 MET 647 HE3 MET 647 -2.131 8.599 15.816 188 H THR 648 HN THR 648 -2.567 10.171 9.194 189 HA THR 648 HA THR 648 -4.567 12.220 9.486 190 HB THR 648 HB THR 648 -4.866 9.794 7.725 191 HG1 THR 648 HG1 THR 648 -3.237 12.081 7.176 192 HG21 THR 648 HG21 THR 648 -5.588 12.709 7.384 193 HG22 THR 648 HG22 THR 648 -6.704 11.394 7.747 194 HG23 THR 648 HG23 THR 648 -5.877 11.443 6.192 195 H ASP 649 HN ASP 649 -6.945 11.515 9.545 196 HA ASP 649 HA ASP 649 -7.551 10.123 11.880 197 HB2 ASP 649 HB2 ASP 649 -9.116 11.674 10.736 198 HB3 ASP 649 HB1 ASP 649 -9.339 10.480 9.462 199 H CYS 650 HN CYS 650 -8.435 8.942 8.641 200 HA CYS 650 HA CYS 650 -8.202 6.948 7.595 201 HB2 CYS 650 HB2 CYS 650 -5.833 7.137 8.218 202 HB3 CYS 650 HB1 CYS 650 -6.172 6.352 9.757 203 HG CYS 650 HG CYS 650 -6.971 3.923 8.536 204 H ASP 651 HN ASP 651 -9.685 5.438 7.554 205 HA ASP 651 HA ASP 651 -11.233 4.467 9.616 206 HB2 ASP 651 HB2 ASP 651 -11.806 4.030 7.296 207 HB3 ASP 651 HB1 ASP 651 -10.361 3.044 7.087 208 H GLU 652 HN GLU 652 -11.173 2.604 10.940 209 HA GLU 652 HA GLU 652 -8.497 1.423 11.234 210 HB2 GLU 652 HB2 GLU 652 -9.058 3.197 12.951 211 HB3 GLU 652 HB1 GLU 652 -10.325 2.125 13.531 212 HG2 GLU 652 HG2 GLU 652 -8.615 0.418 14.016 213 HG3 GLU 652 HG1 GLU 652 -7.368 1.555 13.506 214 H GLY 653 HN GLY 653 -10.559 0.215 9.755 215 HA2 GLY 653 HA2 GLY 653 -10.533 -2.263 9.863 216 HA3 GLY 653 HA1 GLY 653 -11.057 -2.102 11.529 217 H GLY 654 HN GLY 654 -12.252 -0.293 8.741 218 HA2 GLY 654 HA2 GLY 654 -14.801 -1.769 9.000 219 HA3 GLY 654 HA1 GLY 654 -14.700 -0.071 8.544 220 H GLU 655 HN GLU 655 -15.890 -0.627 6.617 221 HA GLU 655 HA GLU 655 -16.078 -1.104 4.403 222 HB2 GLU 655 HB2 GLU 655 -14.247 0.583 4.455 223 HB3 GLU 655 HB1 GLU 655 -13.078 -0.724 4.488 224 HG2 GLU 655 HG2 GLU 655 -13.734 -1.434 2.293 225 HG3 GLU 655 HG1 GLU 655 -15.039 -0.248 2.263 226 H TYR 656 HN TYR 656 -16.670 -3.300 5.130 227 HA TYR 656 HA TYR 656 -14.591 -5.324 4.901 228 HB2 TYR 656 HB2 TYR 656 -17.440 -5.458 5.857 229 HB3 TYR 656 HB1 TYR 656 -16.429 -6.884 5.668 230 HD1 TYR 656 HD1 TYR 656 -17.774 -5.421 8.191 231 HD2 TYR 656 HD2 TYR 656 -13.818 -5.740 6.653 232 HE1 TYR 656 HE1 TYR 656 -16.873 -5.057 10.448 233 HE2 TYR 656 HE2 TYR 656 -12.909 -5.379 8.908 234 HH TYR 656 HH TYR 656 -14.740 -5.620 11.692 235 H ASP 657 HN ASP 657 -14.509 -4.732 2.559 236 HA ASP 657 HA ASP 657 -15.939 -6.821 1.133 237 HB2 ASP 657 HB2 ASP 657 -17.249 -4.694 0.835 238 HB3 ASP 657 HB1 ASP 657 -15.833 -3.987 0.070 239 H GLY 658 HN GLY 658 -14.905 -7.009 -1.153 240 HA2 GLY 658 HA2 GLY 658 -13.049 -6.991 -2.551 241 HA3 GLY 658 HA1 GLY 658 -12.244 -5.917 -1.418 242 H MET 659 HN MET 659 -12.308 -7.372 0.875 243 HA MET 659 HA MET 659 -10.200 -9.227 0.508 244 HB2 MET 659 HB2 MET 659 -10.399 -7.934 2.547 245 HB3 MET 659 HB1 MET 659 -11.965 -8.651 2.888 246 HG2 MET 659 HG2 MET 659 -10.267 -9.638 4.282 247 HG3 MET 659 HG1 MET 659 -10.912 -10.832 3.158 248 HE1 MET 659 HE1 MET 659 -8.285 -11.226 4.824 249 HE2 MET 659 HE2 MET 659 -7.180 -11.896 3.626 250 HE3 MET 659 HE3 MET 659 -8.857 -12.437 3.676 251 H GLN 660 HN GLN 660 -10.544 -11.108 -0.498 252 HA GLN 660 HA GLN 660 -12.857 -12.707 0.348 253 HB2 GLN 660 HB2 GLN 660 -11.752 -12.403 -2.445 254 HB3 GLN 660 HB1 GLN 660 -12.944 -13.609 -1.979 255 HG2 GLN 660 HG2 GLN 660 -14.475 -11.804 -1.312 256 HG3 GLN 660 HG1 GLN 660 -13.287 -10.621 -1.851 257 HE21 GLN 660 HE21 GLN 660 -12.920 -10.347 -4.042 258 HE22 GLN 660 HE22 GLN 660 -14.010 -10.958 -5.240 259 H ASP 661 HN ASP 661 -11.316 -13.578 1.856 260 HA ASP 661 HA ASP 661 -10.313 -15.458 2.618 261 HB2 ASP 661 HB2 ASP 661 -11.610 -16.753 1.044 262 HB3 ASP 661 HB1 ASP 661 -10.473 -16.391 -0.249 263 H GLU 662 HN GLU 662 -8.824 -14.696 -0.546 264 HA GLU 662 HA GLU 662 -6.212 -15.073 0.763 265 HB2 GLU 662 HB2 GLU 662 -6.908 -16.690 -1.075 266 HB3 GLU 662 HB1 GLU 662 -6.761 -15.337 -2.189 267 HG2 GLU 662 HG2 GLU 662 -4.758 -16.654 -2.250 268 HG3 GLU 662 HG1 GLU 662 -4.405 -15.085 -1.525 269 HA PRO 663 HA PRO 663 -6.126 -10.683 -0.417 270 HB2 PRO 663 HB2 PRO 663 -4.514 -9.838 1.552 271 HB3 PRO 663 HB1 PRO 663 -6.221 -10.193 1.849 272 HG2 PRO 663 HG2 PRO 663 -3.807 -11.861 2.457 273 HG3 PRO 663 HG1 PRO 663 -5.268 -11.602 3.434 274 HD2 PRO 663 HD2 PRO 663 -4.806 -13.821 1.839 275 HD3 PRO 663 HD1 PRO 663 -6.421 -13.265 2.341 276 H ARG 664 HN ARG 664 -4.840 -10.272 -2.163 277 HA ARG 664 HA ARG 664 -2.179 -11.372 -2.275 278 HB2 ARG 664 HB2 ARG 664 -2.022 -10.384 -4.483 279 HB3 ARG 664 HB1 ARG 664 -3.540 -11.243 -4.300 280 HG2 ARG 664 HG2 ARG 664 -4.597 -9.004 -3.808 281 HG3 ARG 664 HG1 ARG 664 -3.080 -8.281 -4.346 282 HD2 ARG 664 HD2 ARG 664 -3.305 -9.358 -6.503 283 HD3 ARG 664 HD1 ARG 664 -4.782 -10.158 -5.977 284 HE ARG 664 HE ARG 664 -4.458 -7.312 -6.598 285 HH11 ARG 664 HH11 ARG 664 -6.532 -9.972 -5.646 286 HH12 ARG 664 HH12 ARG 664 -7.996 -9.148 -6.077 287 HH21 ARG 664 HH21 ARG 664 -6.385 -6.233 -7.168 288 HH22 ARG 664 HH22 ARG 664 -7.913 -7.024 -6.948 289 H TYR 665 HN TYR 665 -3.577 -8.378 -1.278 290 HA TYR 665 HA TYR 665 -1.324 -6.736 -1.772 291 HB2 TYR 665 HB2 TYR 665 -2.432 -5.180 -0.099 292 HB3 TYR 665 HB1 TYR 665 -3.366 -5.596 -1.530 293 HD1 TYR 665 HD1 TYR 665 -5.174 -7.383 -1.286 294 HD2 TYR 665 HD2 TYR 665 -3.324 -5.498 2.042 295 HE1 TYR 665 HE1 TYR 665 -7.082 -8.020 0.127 296 HE2 TYR 665 HE2 TYR 665 -5.228 -6.133 3.467 297 HH TYR 665 HH TYR 665 -7.589 -8.381 2.492 298 H MET 666 HN MET 666 -2.221 -8.812 0.885 299 HA MET 666 HA MET 666 -0.213 -7.820 2.668 300 HB2 MET 666 HB2 MET 666 -1.918 -10.307 2.649 301 HB3 MET 666 HB1 MET 666 -0.676 -10.037 3.872 302 HG2 MET 666 HG2 MET 666 -1.793 -8.046 4.635 303 HG3 MET 666 HG1 MET 666 -2.974 -8.166 3.335 304 HE1 MET 666 HE1 MET 666 -4.941 -7.947 5.157 305 HE2 MET 666 HE2 MET 666 -3.709 -7.816 6.410 306 HE3 MET 666 HE3 MET 666 -5.035 -8.965 6.592 307 H MET 667 HN MET 667 -0.404 -10.321 0.229 308 HA MET 667 HA MET 667 2.091 -11.541 0.881 309 HB2 MET 667 HB2 MET 667 0.075 -12.443 -0.539 310 HB3 MET 667 HB1 MET 667 0.870 -11.614 -1.865 311 HG2 MET 667 HG2 MET 667 2.125 -13.764 -0.164 312 HG3 MET 667 HG1 MET 667 1.405 -14.014 -1.748 313 HE1 MET 667 HE1 MET 667 3.816 -12.059 -4.096 314 HE2 MET 667 HE2 MET 667 2.257 -11.587 -3.424 315 HE3 MET 667 HE3 MET 667 2.496 -13.225 -4.028 316 H LEU 668 HN LEU 668 1.001 -9.160 -1.505 317 HA LEU 668 HA LEU 668 3.506 -8.630 -2.668 318 HB2 LEU 668 HB2 LEU 668 0.906 -7.192 -2.512 319 HB3 LEU 668 HB1 LEU 668 2.314 -6.256 -2.969 320 HG LEU 668 HG LEU 668 2.699 -7.700 -4.894 321 HD11 LEU 668 HD11 LEU 668 1.095 -9.428 -5.527 322 HD12 LEU 668 HD12 LEU 668 0.240 -9.192 -4.003 323 HD13 LEU 668 HD13 LEU 668 1.892 -9.809 -4.002 324 HD21 LEU 668 HD21 LEU 668 -0.152 -6.744 -4.696 325 HD22 LEU 668 HD22 LEU 668 0.704 -7.124 -6.191 326 HD23 LEU 668 HD23 LEU 668 1.244 -5.783 -5.184 327 H ALA 669 HN ALA 669 1.975 -7.405 0.276 328 HA ALA 669 HA ALA 669 3.967 -5.365 0.676 329 HB1 ALA 669 HB1 ALA 669 1.949 -6.487 2.615 330 HB2 ALA 669 HB2 ALA 669 1.684 -5.111 1.545 331 HB3 ALA 669 HB3 ALA 669 2.893 -5.014 2.825 332 H ARG 670 HN ARG 670 3.404 -8.670 1.705 333 HA ARG 670 HA ARG 670 5.493 -8.892 3.589 334 HB2 ARG 670 HB2 ARG 670 3.729 -10.584 3.321 335 HB3 ARG 670 HB1 ARG 670 4.334 -10.965 1.717 336 HG2 ARG 670 HG2 ARG 670 6.469 -11.691 2.759 337 HG3 ARG 670 HG1 ARG 670 5.720 -11.453 4.341 338 HD2 ARG 670 HD2 ARG 670 3.964 -13.056 3.732 339 HD3 ARG 670 HD1 ARG 670 4.747 -13.310 2.174 340 HE ARG 670 HE ARG 670 6.375 -13.840 4.520 341 HH11 ARG 670 HH11 ARG 670 4.318 -15.124 2.003 342 HH12 ARG 670 HH12 ARG 670 4.856 -16.757 2.208 343 HH21 ARG 670 HH21 ARG 670 7.085 -15.998 4.812 344 HH22 ARG 670 HH22 ARG 670 6.428 -17.257 3.813 345 H GLU 671 HN GLU 671 5.340 -9.357 0.084 346 HA GLU 671 HA GLU 671 8.008 -10.188 -0.304 347 HB2 GLU 671 HB2 GLU 671 6.045 -10.334 -1.926 348 HB3 GLU 671 HB1 GLU 671 6.292 -8.624 -2.240 349 HG2 GLU 671 HG2 GLU 671 7.330 -9.888 -3.974 350 HG3 GLU 671 HG1 GLU 671 8.587 -9.135 -2.992 351 H ALA 672 HN ALA 672 6.395 -7.037 -0.544 352 HA ALA 672 HA ALA 672 8.603 -5.449 -1.099 353 HB1 ALA 672 HB1 ALA 672 6.254 -4.693 -1.172 354 HB2 ALA 672 HB2 ALA 672 7.302 -3.589 -0.285 355 HB3 ALA 672 HB3 ALA 672 6.228 -4.679 0.590 356 H GLU 673 HN GLU 673 7.358 -6.534 2.052 357 HA GLU 673 HA GLU 673 9.178 -4.975 3.573 358 HB2 GLU 673 HB2 GLU 673 6.980 -6.115 4.324 359 HB3 GLU 673 HB1 GLU 673 7.974 -7.546 4.557 360 HG2 GLU 673 HG2 GLU 673 7.730 -6.357 6.639 361 HG3 GLU 673 HG1 GLU 673 9.406 -6.287 6.096 362 H MET 674 HN MET 674 9.285 -8.235 2.223 363 HA MET 674 HA MET 674 11.753 -8.925 3.496 364 HB2 MET 674 HB2 MET 674 10.391 -10.093 1.063 365 HB3 MET 674 HB1 MET 674 11.853 -10.752 1.782 366 HG2 MET 674 HG2 MET 674 10.545 -10.989 3.925 367 HG3 MET 674 HG1 MET 674 9.104 -10.614 2.980 368 HE1 MET 674 HE1 MET 674 9.932 -12.056 0.172 369 HE2 MET 674 HE2 MET 674 8.315 -12.092 0.877 370 HE3 MET 674 HE3 MET 674 9.099 -13.595 0.393 371 H LEU 675 HN LEU 675 10.879 -7.197 0.601 372 HA LEU 675 HA LEU 675 13.549 -7.244 -0.493 373 HB2 LEU 675 HB2 LEU 675 10.914 -6.169 -1.268 374 HB3 LEU 675 HB1 LEU 675 12.279 -5.192 -1.767 375 HG LEU 675 HG LEU 675 11.533 -6.750 -3.522 376 HD11 LEU 675 HD11 LEU 675 13.736 -7.694 -4.045 377 HD12 LEU 675 HD12 LEU 675 14.277 -7.307 -2.412 378 HD13 LEU 675 HD13 LEU 675 13.826 -6.013 -3.523 379 HD21 LEU 675 HD21 LEU 675 10.773 -8.563 -2.036 380 HD22 LEU 675 HD22 LEU 675 12.455 -8.932 -1.655 381 HD23 LEU 675 HD23 LEU 675 11.860 -9.130 -3.302 382 H PHE 676 HN PHE 676 11.680 -5.198 1.623 383 HA PHE 676 HA PHE 676 13.533 -2.994 1.305 384 HB2 PHE 676 HB2 PHE 676 11.076 -2.616 1.549 385 HB3 PHE 676 HB1 PHE 676 11.186 -3.218 3.204 386 HD1 PHE 676 HD1 PHE 676 10.691 -1.380 4.520 387 HD2 PHE 676 HD2 PHE 676 13.524 -0.984 1.367 388 HE1 PHE 676 HE1 PHE 676 11.247 0.880 5.308 389 HE2 PHE 676 HE2 PHE 676 14.083 1.275 2.155 390 HZ PHE 676 HZ PHE 676 12.965 2.204 4.117 391 H THR 677 HN THR 677 12.367 -4.854 4.151 392 HA THR 677 HA THR 677 14.794 -4.001 5.546 393 HB THR 677 HB THR 677 13.569 -4.853 7.589 394 HG1 THR 677 HG1 THR 677 11.116 -4.646 6.324 395 HG21 THR 677 HG21 THR 677 12.061 -2.914 7.715 396 HG22 THR 677 HG22 THR 677 12.257 -2.667 5.981 397 HG23 THR 677 HG23 THR 677 13.639 -2.483 7.060 398 H GLY 678 HN GLY 678 14.430 -6.268 3.548 399 HA2 GLY 678 HA2 GLY 678 14.795 -8.654 5.136 400 HA3 GLY 678 HA1 GLY 678 14.815 -8.551 3.382 401 H GLY 679 HN GLY 679 16.696 -9.110 2.536 402 HA2 GLY 679 HA2 GLY 679 19.018 -8.838 2.194 403 HA3 GLY 679 HA1 GLY 679 19.171 -8.231 3.838 404 H TYR 680 HN TYR 680 17.193 -10.855 3.931 405 HA TYR 680 HA TYR 680 19.423 -12.727 4.361 406 HB2 TYR 680 HB2 TYR 680 16.928 -12.479 6.068 407 HB3 TYR 680 HB1 TYR 680 18.213 -13.668 6.289 408 HD1 TYR 680 HD1 TYR 680 20.509 -12.874 6.933 409 HD2 TYR 680 HD2 TYR 680 17.125 -10.298 6.957 410 HE1 TYR 680 HE1 TYR 680 21.734 -11.290 8.359 411 HE2 TYR 680 HE2 TYR 680 18.341 -8.707 8.386 412 HH TYR 680 HH TYR 680 21.666 -8.845 8.873 413 H GLY 681 HN GLY 681 18.635 -12.950 2.014 414 HA2 GLY 681 HA2 GLY 681 17.837 -15.163 1.062 415 HA3 GLY 681 HA1 GLY 681 16.312 -14.770 1.861 416 H LEU 682 HN LEU 682 16.121 -12.097 1.388 417 HA LEU 682 HA LEU 682 16.065 -11.896 -1.543 418 HB2 LEU 682 HB2 LEU 682 14.335 -10.570 0.546 419 HB3 LEU 682 HB1 LEU 682 14.378 -10.049 -1.123 420 HG LEU 682 HG LEU 682 12.434 -11.369 -0.875 421 HD11 LEU 682 HD11 LEU 682 14.505 -13.164 -2.116 422 HD12 LEU 682 HD12 LEU 682 13.758 -11.779 -2.909 423 HD13 LEU 682 HD13 LEU 682 12.772 -13.160 -2.433 424 HD21 LEU 682 HD21 LEU 682 13.042 -12.484 1.221 425 HD22 LEU 682 HD22 LEU 682 14.136 -13.544 0.330 426 HD23 LEU 682 HD23 LEU 682 12.399 -13.614 0.030 427 H GLU 683 HN GLU 683 17.558 -10.569 -2.358 428 HA GLU 683 HA GLU 683 19.149 -8.877 -0.729 429 HB2 GLU 683 HB2 GLU 683 18.842 -9.073 -3.725 430 HB3 GLU 683 HB1 GLU 683 19.929 -7.926 -2.964 431 HG2 GLU 683 HG2 GLU 683 21.198 -9.821 -3.639 432 HG3 GLU 683 HG1 GLU 683 21.095 -9.828 -1.880 433 H LYS 684 HN LYS 684 18.646 -6.962 0.067 434 HA LYS 684 HA LYS 684 16.093 -5.870 -0.377 435 HB2 LYS 684 HB2 LYS 684 16.679 -4.149 1.178 436 HB3 LYS 684 HB1 LYS 684 17.369 -5.657 1.751 437 HG2 LYS 684 HG2 LYS 684 19.563 -4.993 0.972 438 HG3 LYS 684 HG1 LYS 684 18.896 -3.516 0.278 439 HD2 LYS 684 HD2 LYS 684 18.864 -4.249 3.208 440 HD3 LYS 684 HD1 LYS 684 19.981 -3.111 2.452 441 HE2 LYS 684 HE2 LYS 684 18.063 -1.700 1.797 442 HE3 LYS 684 HE1 LYS 684 16.976 -2.829 2.604 443 HZ1 LYS 684 HZ1 LYS 684 19.130 -1.261 3.924 444 HZ2 LYS 684 HZ2 LYS 684 18.079 -2.342 4.695 445 HZ3 LYS 684 HZ3 LYS 684 17.471 -0.930 3.999 446 H ASP 685 HN ASP 685 15.388 -4.065 -1.397 447 HA ASP 685 HA ASP 685 17.181 -2.384 -2.931 448 HB2 ASP 685 HB2 ASP 685 16.883 -4.362 -4.413 449 HB3 ASP 685 HB1 ASP 685 15.137 -4.114 -4.359 450 HA PRO 686 HA PRO 686 13.731 -0.033 -1.043 451 HB2 PRO 686 HB2 PRO 686 15.342 2.122 -2.345 452 HB3 PRO 686 HB1 PRO 686 14.633 2.070 -0.724 453 HG2 PRO 686 HG2 PRO 686 17.230 1.663 -1.048 454 HG3 PRO 686 HG1 PRO 686 16.305 0.678 0.102 455 HD2 PRO 686 HD2 PRO 686 17.330 -0.043 -2.621 456 HD3 PRO 686 HD1 PRO 686 17.204 -1.048 -1.157 457 H GLN 687 HN GLN 687 14.911 0.238 -4.357 458 HA GLN 687 HA GLN 687 12.740 1.800 -5.326 459 HB2 GLN 687 HB2 GLN 687 14.909 1.641 -6.495 460 HB3 GLN 687 HB1 GLN 687 14.596 -0.053 -6.834 461 HG2 GLN 687 HG2 GLN 687 14.160 1.344 -8.773 462 HG3 GLN 687 HG1 GLN 687 12.692 0.547 -8.209 463 HE21 GLN 687 HE21 GLN 687 11.028 1.774 -7.363 464 HE22 GLN 687 HE22 GLN 687 10.985 3.500 -7.485 465 H ARG 688 HN ARG 688 13.504 -1.680 -5.528 466 HA ARG 688 HA ARG 688 11.064 -2.406 -6.776 467 HB2 ARG 688 HB2 ARG 688 13.290 -3.720 -6.586 468 HB3 ARG 688 HB1 ARG 688 12.700 -4.210 -5.008 469 HG2 ARG 688 HG2 ARG 688 10.733 -5.211 -6.051 470 HG3 ARG 688 HG1 ARG 688 11.339 -4.731 -7.639 471 HD2 ARG 688 HD2 ARG 688 12.627 -6.641 -5.699 472 HD3 ARG 688 HD1 ARG 688 11.901 -7.038 -7.255 473 HE ARG 688 HE ARG 688 13.825 -5.267 -7.935 474 HH11 ARG 688 HH11 ARG 688 13.845 -8.197 -6.028 475 HH12 ARG 688 HH12 ARG 688 15.498 -8.574 -6.389 476 HH21 ARG 688 HH21 ARG 688 16.012 -5.757 -8.408 477 HH22 ARG 688 HH22 ARG 688 16.731 -7.183 -7.732 478 H SER 689 HN SER 689 12.193 -2.175 -3.467 479 HA SER 689 HA SER 689 10.077 -3.302 -2.099 480 HB2 SER 689 HB2 SER 689 11.605 -0.826 -1.281 481 HB3 SER 689 HB1 SER 689 10.727 -1.922 -0.214 482 HG SER 689 HG SER 689 12.969 -2.619 -1.813 483 H GLY 690 HN GLY 690 10.424 0.178 -3.079 484 HA2 GLY 690 HA2 GLY 690 7.868 0.864 -2.085 485 HA3 GLY 690 HA1 GLY 690 8.860 1.811 -3.192 486 H ASP 691 HN ASP 691 9.042 -0.342 -5.175 487 HA ASP 691 HA ASP 691 6.694 0.219 -6.669 488 HB2 ASP 691 HB2 ASP 691 8.820 -0.463 -7.738 489 HB3 ASP 691 HB1 ASP 691 8.650 -2.072 -7.033 490 H LEU 692 HN LEU 692 7.698 -2.568 -4.716 491 HA LEU 692 HA LEU 692 5.336 -4.071 -5.216 492 HB2 LEU 692 HB2 LEU 692 7.456 -4.254 -3.082 493 HB3 LEU 692 HB1 LEU 692 6.124 -5.387 -3.214 494 HG LEU 692 HG LEU 692 8.040 -4.916 -5.483 495 HD11 LEU 692 HD11 LEU 692 9.364 -5.630 -3.583 496 HD12 LEU 692 HD12 LEU 692 9.205 -6.953 -4.738 497 HD13 LEU 692 HD13 LEU 692 8.238 -6.948 -3.264 498 HD21 LEU 692 HD21 LEU 692 7.245 -7.146 -6.154 499 HD22 LEU 692 HD22 LEU 692 5.936 -5.968 -6.062 500 HD23 LEU 692 HD23 LEU 692 6.148 -7.151 -4.772 501 H TYR 693 HN TYR 693 6.321 -1.789 -2.695 502 HA TYR 693 HA TYR 693 4.083 -2.132 -1.012 503 HB2 TYR 693 HB2 TYR 693 5.954 0.179 -1.469 504 HB3 TYR 693 HB1 TYR 693 4.563 0.342 -0.408 505 HD1 TYR 693 HD1 TYR 693 4.411 -1.876 1.243 506 HD2 TYR 693 HD2 TYR 693 7.937 -0.124 -0.358 507 HE1 TYR 693 HE1 TYR 693 5.716 -2.853 3.075 508 HE2 TYR 693 HE2 TYR 693 9.253 -1.093 1.477 509 HH TYR 693 HH TYR 693 8.976 -1.971 3.691 510 H THR 694 HN THR 694 4.626 -0.046 -3.825 511 HA THR 694 HA THR 694 2.132 1.313 -3.535 512 HB THR 694 HB THR 694 2.583 2.038 -5.953 513 HG1 THR 694 HG1 THR 694 5.194 1.051 -5.463 514 HG21 THR 694 HG21 THR 694 4.709 2.615 -3.885 515 HG22 THR 694 HG22 THR 694 3.132 3.400 -3.970 516 HG23 THR 694 HG23 THR 694 4.296 3.619 -5.275 517 H GLN 695 HN GLN 695 3.254 -1.487 -5.394 518 HA GLN 695 HA GLN 695 0.816 -1.886 -6.783 519 HB2 GLN 695 HB2 GLN 695 2.987 -3.844 -6.001 520 HB3 GLN 695 HB1 GLN 695 1.628 -4.258 -7.034 521 HG2 GLN 695 HG2 GLN 695 3.506 -2.021 -7.720 522 HG3 GLN 695 HG1 GLN 695 3.863 -3.696 -8.130 523 HE21 GLN 695 HE21 GLN 695 0.580 -2.481 -8.178 524 HE22 GLN 695 HE22 GLN 695 0.404 -2.486 -9.892 525 H ALA 696 HN ALA 696 2.084 -3.051 -3.683 526 HA ALA 696 HA ALA 696 -0.091 -4.631 -2.946 527 HB1 ALA 696 HB1 ALA 696 0.709 -4.427 -0.678 528 HB2 ALA 696 HB2 ALA 696 1.686 -3.026 -1.114 529 HB3 ALA 696 HB3 ALA 696 2.079 -4.615 -1.771 530 H ALA 697 HN ALA 697 0.468 -1.111 -2.552 531 HA ALA 697 HA ALA 697 -1.853 -0.649 -1.023 532 HB1 ALA 697 HB1 ALA 697 0.030 0.946 -1.198 533 HB2 ALA 697 HB2 ALA 697 -1.528 1.687 -1.563 534 HB3 ALA 697 HB3 ALA 697 -0.427 1.263 -2.872 535 H GLU 698 HN GLU 698 -1.199 -0.721 -4.491 536 HA GLU 698 HA GLU 698 -3.747 0.123 -5.346 537 HB2 GLU 698 HB2 GLU 698 -1.642 -1.611 -6.610 538 HB3 GLU 698 HB1 GLU 698 -3.199 -1.377 -7.388 539 HG2 GLU 698 HG2 GLU 698 -2.740 1.114 -7.229 540 HG3 GLU 698 HG1 GLU 698 -1.085 0.670 -6.803 541 H ALA 699 HN ALA 699 -2.462 -3.113 -4.610 542 HA ALA 699 HA ALA 699 -4.865 -4.478 -5.264 543 HB1 ALA 699 HB1 ALA 699 -2.576 -5.325 -3.494 544 HB2 ALA 699 HB2 ALA 699 -2.713 -5.617 -5.227 545 HB3 ALA 699 HB3 ALA 699 -3.842 -6.384 -4.112 546 H ALA 700 HN ALA 700 -3.665 -2.883 -2.430 547 HA ALA 700 HA ALA 700 -5.536 -3.960 -0.571 548 HB1 ALA 700 HB1 ALA 700 -4.055 -1.338 -0.432 549 HB2 ALA 700 HB2 ALA 700 -3.426 -2.888 0.118 550 HB3 ALA 700 HB3 ALA 700 -4.831 -2.178 0.910 551 H MET 701 HN MET 701 -5.396 -0.872 -2.352 552 HA MET 701 HA MET 701 -7.943 -0.018 -1.410 553 HB2 MET 701 HB2 MET 701 -7.738 1.817 -2.917 554 HB3 MET 701 HB1 MET 701 -6.133 1.500 -2.273 555 HG2 MET 701 HG2 MET 701 -5.499 0.382 -4.312 556 HG3 MET 701 HG1 MET 701 -7.129 0.573 -4.956 557 HE1 MET 701 HE1 MET 701 -6.258 1.655 -7.150 558 HE2 MET 701 HE2 MET 701 -4.587 1.475 -6.614 559 HE3 MET 701 HE3 MET 701 -5.155 3.029 -7.220 560 H GLU 702 HN GLU 702 -6.863 -1.997 -4.058 561 HA GLU 702 HA GLU 702 -9.298 -1.965 -5.535 562 HB2 GLU 702 HB2 GLU 702 -7.029 -2.729 -6.360 563 HB3 GLU 702 HB1 GLU 702 -7.266 -4.193 -5.421 564 HG2 GLU 702 HG2 GLU 702 -7.837 -4.631 -7.698 565 HG3 GLU 702 HG1 GLU 702 -9.312 -4.648 -6.733 566 H ALA 703 HN ALA 703 -8.063 -3.807 -2.831 567 HA ALA 703 HA ALA 703 -10.410 -5.542 -2.807 568 HB1 ALA 703 HB1 ALA 703 -8.234 -6.579 -2.449 569 HB2 ALA 703 HB2 ALA 703 -9.253 -6.747 -1.019 570 HB3 ALA 703 HB3 ALA 703 -7.961 -5.547 -1.045 571 H MET 704 HN MET 704 -10.467 -2.628 -2.196 572 HA MET 704 HA MET 704 -11.512 -1.186 -0.795 573 HB2 MET 704 HB2 MET 704 -12.902 -3.721 0.095 574 HB3 MET 704 HB1 MET 704 -13.436 -2.093 0.484 575 HG2 MET 704 HG2 MET 704 -13.261 -3.312 -2.259 576 HG3 MET 704 HG1 MET 704 -14.729 -2.984 -1.343 577 HE1 MET 704 HE1 MET 704 -15.769 -1.665 -3.394 578 HE2 MET 704 HE2 MET 704 -14.319 -2.022 -4.330 579 HE3 MET 704 HE3 MET 704 -14.930 -0.370 -4.248 580 H LYS 705 HN LYS 705 -9.060 -1.797 0.056 581 HA LYS 705 HA LYS 705 -9.359 -1.839 2.981 582 HB2 LYS 705 HB2 LYS 705 -7.192 -3.097 1.288 583 HB3 LYS 705 HB1 LYS 705 -7.052 -2.865 3.024 584 HG2 LYS 705 HG2 LYS 705 -9.289 -4.416 1.763 585 HG3 LYS 705 HG1 LYS 705 -7.768 -5.151 2.277 586 HD2 LYS 705 HD2 LYS 705 -8.191 -4.784 4.514 587 HD3 LYS 705 HD1 LYS 705 -9.298 -3.452 4.193 588 HE2 LYS 705 HE2 LYS 705 -9.866 -6.344 3.572 589 HE3 LYS 705 HE1 LYS 705 -10.430 -5.496 5.010 590 HZ1 LYS 705 HZ1 LYS 705 -11.111 -4.810 2.197 591 HZ2 LYS 705 HZ2 LYS 705 -11.614 -3.940 3.559 592 HZ3 LYS 705 HZ3 LYS 705 -12.143 -5.530 3.330 593 H GLY 706 HN GLY 706 -9.629 0.509 2.227 594 HA2 GLY 706 HA2 GLY 706 -7.539 2.040 1.219 595 HA3 GLY 706 HA1 GLY 706 -8.813 2.644 2.265 596 H ARG 707 HN ARG 707 -8.208 1.196 4.604 597 HA ARG 707 HA ARG 707 -6.246 2.736 5.845 598 HB2 ARG 707 HB2 ARG 707 -7.940 1.398 7.046 599 HB3 ARG 707 HB1 ARG 707 -7.118 -0.075 6.556 600 HG2 ARG 707 HG2 ARG 707 -5.128 0.660 7.830 601 HG3 ARG 707 HG1 ARG 707 -6.045 2.063 8.386 602 HD2 ARG 707 HD2 ARG 707 -7.736 0.504 9.331 603 HD3 ARG 707 HD1 ARG 707 -6.690 -0.837 8.879 604 HE ARG 707 HE ARG 707 -5.400 1.128 10.539 605 HH11 ARG 707 HH11 ARG 707 -7.382 -1.761 10.508 606 HH12 ARG 707 HH12 ARG 707 -6.925 -2.245 12.112 607 HH21 ARG 707 HH21 ARG 707 -4.809 0.495 12.657 608 HH22 ARG 707 HH22 ARG 707 -5.466 -0.962 13.333 609 H LEU 708 HN LEU 708 -5.992 -0.558 4.561 610 HA LEU 708 HA LEU 708 -3.259 -0.943 5.068 611 HB2 LEU 708 HB2 LEU 708 -5.153 -2.157 3.073 612 HB3 LEU 708 HB1 LEU 708 -3.463 -2.607 3.115 613 HG LEU 708 HG LEU 708 -4.789 -4.253 4.286 614 HD11 LEU 708 HD11 LEU 708 -2.535 -3.760 5.102 615 HD12 LEU 708 HD12 LEU 708 -3.609 -4.315 6.383 616 HD13 LEU 708 HD13 LEU 708 -3.214 -2.602 6.246 617 HD21 LEU 708 HD21 LEU 708 -6.036 -3.722 6.309 618 HD22 LEU 708 HD22 LEU 708 -6.682 -2.844 4.926 619 HD23 LEU 708 HD23 LEU 708 -5.667 -2.011 6.101 620 H ALA 709 HN ALA 709 -4.981 0.238 2.223 621 HA ALA 709 HA ALA 709 -2.813 0.551 0.510 622 HB1 ALA 709 HB1 ALA 709 -4.207 2.111 -0.734 623 HB2 ALA 709 HB2 ALA 709 -5.306 2.236 0.640 624 HB3 ALA 709 HB3 ALA 709 -5.137 0.704 -0.219 625 H ASN 710 HN ASN 710 -4.197 2.862 2.835 626 HA ASN 710 HA ASN 710 -2.476 5.004 2.200 627 HB2 ASN 710 HB2 ASN 710 -4.619 5.134 3.551 628 HB3 ASN 710 HB1 ASN 710 -3.719 4.470 4.908 629 HD21 ASN 710 HD21 ASN 710 -2.024 5.752 5.835 630 HD22 ASN 710 HD22 ASN 710 -1.981 7.462 5.604 631 H GLN 711 HN GLN 711 -2.337 2.548 4.782 632 HA GLN 711 HA GLN 711 0.078 3.346 5.919 633 HB2 GLN 711 HB2 GLN 711 -1.208 0.623 5.731 634 HB3 GLN 711 HB1 GLN 711 0.224 0.948 6.696 635 HG2 GLN 711 HG2 GLN 711 -0.982 2.464 8.102 636 HG3 GLN 711 HG1 GLN 711 -2.399 2.383 7.059 637 HE21 GLN 711 HE21 GLN 711 -2.123 -0.523 6.675 638 HE22 GLN 711 HE22 GLN 711 -2.649 -1.249 8.153 639 H TYR 712 HN TYR 712 -0.407 0.745 3.514 640 HA TYR 712 HA TYR 712 2.306 0.217 3.126 641 HB2 TYR 712 HB2 TYR 712 0.011 -0.180 1.202 642 HB3 TYR 712 HB1 TYR 712 1.641 -0.815 0.949 643 HD1 TYR 712 HD1 TYR 712 2.085 -1.515 3.956 644 HD2 TYR 712 HD2 TYR 712 -1.064 -2.301 1.213 645 HE1 TYR 712 HE1 TYR 712 1.488 -3.531 5.228 646 HE2 TYR 712 HE2 TYR 712 -1.671 -4.314 2.478 647 HH TYR 712 HH TYR 712 -0.459 -4.973 5.585 648 H TYR 713 HN TYR 713 0.263 2.676 1.612 649 HA TYR 713 HA TYR 713 2.213 3.400 -0.344 650 HB2 TYR 713 HB2 TYR 713 -0.267 3.983 -0.417 651 HB3 TYR 713 HB1 TYR 713 0.080 5.226 0.780 652 HD1 TYR 713 HD1 TYR 713 0.680 7.350 0.073 653 HD2 TYR 713 HD2 TYR 713 1.177 4.074 -2.592 654 HE1 TYR 713 HE1 TYR 713 1.326 8.912 -1.712 655 HE2 TYR 713 HE2 TYR 713 1.820 5.630 -4.389 656 HH TYR 713 HH TYR 713 2.570 8.910 -3.792 657 H GLN 714 HN GLN 714 1.439 4.521 2.918 658 HA GLN 714 HA GLN 714 3.383 6.591 3.018 659 HB2 GLN 714 HB2 GLN 714 1.461 6.391 4.581 660 HB3 GLN 714 HB1 GLN 714 2.211 4.966 5.284 661 HG2 GLN 714 HG2 GLN 714 4.150 6.365 5.925 662 HG3 GLN 714 HG1 GLN 714 3.278 7.775 5.327 663 HE21 GLN 714 HE21 GLN 714 1.678 5.128 6.936 664 HE22 GLN 714 HE22 GLN 714 1.279 5.991 8.380 665 H LYS 715 HN LYS 715 3.527 3.168 3.262 666 HA LYS 715 HA LYS 715 6.075 3.132 4.670 667 HB2 LYS 715 HB2 LYS 715 4.355 1.370 5.096 668 HB3 LYS 715 HB1 LYS 715 4.496 0.866 3.418 669 HG2 LYS 715 HG2 LYS 715 5.731 -0.683 4.704 670 HG3 LYS 715 HG1 LYS 715 6.911 0.337 3.879 671 HD2 LYS 715 HD2 LYS 715 7.539 1.414 5.832 672 HD3 LYS 715 HD1 LYS 715 6.016 1.041 6.647 673 HE2 LYS 715 HE2 LYS 715 7.812 -0.277 7.611 674 HE3 LYS 715 HE1 LYS 715 6.676 -1.327 6.767 675 HZ1 LYS 715 HZ1 LYS 715 8.868 -2.032 6.244 676 HZ2 LYS 715 HZ2 LYS 715 9.354 -0.466 5.830 677 HZ3 LYS 715 HZ3 LYS 715 8.245 -1.293 4.853 678 H ALA 716 HN ALA 716 4.690 2.834 1.479 679 HA ALA 716 HA ALA 716 7.009 2.220 0.013 680 HB1 ALA 716 HB1 ALA 716 4.697 3.968 -0.836 681 HB2 ALA 716 HB2 ALA 716 4.721 2.212 -0.938 682 HB3 ALA 716 HB3 ALA 716 5.846 3.165 -1.904 683 H GLU 717 HN GLU 717 5.563 5.343 0.941 684 HA GLU 717 HA GLU 717 7.606 6.917 -0.177 685 HB2 GLU 717 HB2 GLU 717 5.728 7.543 2.102 686 HB3 GLU 717 HB1 GLU 717 6.745 8.721 1.284 687 HG2 GLU 717 HG2 GLU 717 5.556 7.901 -0.860 688 HG3 GLU 717 HG1 GLU 717 4.352 7.263 0.258 689 H GLU 718 HN GLU 718 7.180 5.548 3.077 690 HA GLU 718 HA GLU 718 9.536 6.538 4.215 691 HB2 GLU 718 HB2 GLU 718 7.905 5.383 5.570 692 HB3 GLU 718 HB1 GLU 718 8.114 3.909 4.641 693 HG2 GLU 718 HG2 GLU 718 9.199 3.740 6.801 694 HG3 GLU 718 HG1 GLU 718 10.379 3.668 5.495 695 H ALA 719 HN ALA 719 8.989 3.631 2.249 696 HA ALA 719 HA ALA 719 11.561 2.575 2.313 697 HB1 ALA 719 HB1 ALA 719 9.594 2.492 0.028 698 HB2 ALA 719 HB2 ALA 719 9.660 1.366 1.383 699 HB3 ALA 719 HB3 ALA 719 10.990 1.432 0.226 700 H TRP 720 HN TRP 720 10.180 4.906 -0.005 701 HA TRP 720 HA TRP 720 12.687 5.165 -1.375 702 HB2 TRP 720 HB2 TRP 720 10.130 6.752 -1.584 703 HB3 TRP 720 HB1 TRP 720 11.559 7.098 -2.554 704 HD1 TRP 720 HD1 TRP 720 12.245 3.881 -2.985 705 HE1 TRP 720 HE1 TRP 720 10.875 2.621 -4.752 706 HE3 TRP 720 HE3 TRP 720 8.209 7.037 -3.328 707 HZ2 TRP 720 HZ2 TRP 720 8.435 2.913 -6.121 708 HZ3 TRP 720 HZ3 TRP 720 6.410 6.465 -4.897 709 HH2 TRP 720 HH2 TRP 720 6.521 4.446 -6.267 710 H ALA 721 HN ALA 721 11.136 6.920 1.229 711 HA ALA 721 HA ALA 721 12.914 9.146 1.177 712 HB1 ALA 721 HB1 ALA 721 10.736 9.237 2.304 713 HB2 ALA 721 HB2 ALA 721 12.057 9.663 3.393 714 HB3 ALA 721 HB3 ALA 721 11.311 8.067 3.493 715 H GLN 722 HN GLN 722 12.990 5.975 2.559 716 HA GLN 722 HA GLN 722 15.240 6.491 4.273 717 HB2 GLN 722 HB2 GLN 722 13.384 4.869 4.770 718 HB3 GLN 722 HB1 GLN 722 14.031 3.833 3.510 719 HG2 GLN 722 HG2 GLN 722 16.054 3.497 4.728 720 HG3 GLN 722 HG1 GLN 722 15.593 4.701 5.927 721 HE21 GLN 722 HE21 GLN 722 12.806 3.821 6.000 722 HE22 GLN 722 HE22 GLN 722 12.806 2.325 6.872 723 H MET 723 HN MET 723 15.214 6.475 1.089 724 HA MET 723 HA MET 723 17.361 4.674 0.490 725 HB2 MET 723 HB2 MET 723 16.341 7.072 -1.048 726 HB3 MET 723 HB1 MET 723 17.560 5.957 -1.644 727 HG2 MET 723 HG2 MET 723 15.859 4.129 -1.418 728 HG3 MET 723 HG1 MET 723 14.668 5.380 -1.070 729 HE1 MET 723 HE1 MET 723 15.987 7.686 -3.088 730 HE2 MET 723 HE2 MET 723 14.259 7.463 -2.815 731 HE3 MET 723 HE3 MET 723 14.899 7.475 -4.459 732 H GLU 724 HN GLU 724 18.221 5.753 2.652 733 HA GLU 724 HA GLU 724 20.302 7.660 1.832 734 HB2 GLU 724 HB2 GLU 724 20.186 8.626 4.104 735 HB3 GLU 724 HB1 GLU 724 18.674 8.811 3.226 736 HG2 GLU 724 HG2 GLU 724 17.781 6.846 4.436 737 HG3 GLU 724 HG1 GLU 724 19.268 6.799 5.382 738 H GLU 725 HN GLU 725 20.095 4.705 2.044 739 HA GLU 725 HA GLU 725 22.352 4.267 3.879 740 HB2 GLU 725 HB2 GLU 725 20.325 3.157 4.723 741 HB3 GLU 725 HB1 GLU 725 20.130 2.330 3.183 742 HG2 GLU 725 HG2 GLU 725 22.351 1.258 3.573 743 HG3 GLU 725 HG1 GLU 725 22.340 1.962 5.188 Start of MODEL 10 1 H1 GLY 623 HT1 GLY 623 0.820 -1.298 11.183 2 H2 GLY 623 HT2 GLY 623 1.458 -0.887 12.690 3 H3 GLY 623 HT3 GLY 623 1.900 -0.008 11.318 4 HA2 GLY 623 HA1 GLY 623 0.315 1.242 12.620 5 HA3 GLY 623 HA2 GLY 623 -0.358 0.795 11.059 6 H SER 624 HN SER 624 -0.590 0.459 14.474 7 HA SER 624 HA SER 624 -2.418 -1.772 14.394 8 HB2 SER 624 HB2 SER 624 -1.649 0.019 16.709 9 HB3 SER 624 HB1 SER 624 -2.475 -1.536 16.821 10 HG SER 624 HG SER 624 -0.288 -1.846 17.198 11 H HIS 625 HN HIS 625 -3.524 0.076 12.803 12 HA HIS 625 HA HIS 625 -5.493 1.570 14.347 13 HB2 HIS 625 HB2 HIS 625 -4.446 2.511 12.260 14 HB3 HIS 625 HB1 HIS 625 -5.289 1.273 11.341 15 HD1 HIS 625 HD1 HIS 625 -5.926 4.399 13.352 16 HD2 HIS 625 HD2 HIS 625 -7.946 1.796 10.807 17 HE1 HIS 625 HE1 HIS 625 -8.093 5.542 12.786 18 HE2 HIS 625 HE2 HIS 625 -9.213 4.026 11.113 19 H MET 626 HN MET 626 -5.820 -0.553 11.514 20 HA MET 626 HA MET 626 -6.938 -2.477 11.135 21 HB2 MET 626 HB2 MET 626 -7.236 -2.540 14.135 22 HB3 MET 626 HB1 MET 626 -7.655 -3.868 13.062 23 HG2 MET 626 HG2 MET 626 -5.399 -4.184 12.422 24 HG3 MET 626 HG1 MET 626 -4.903 -2.670 13.174 25 HE1 MET 626 HE1 MET 626 -6.062 -6.376 13.780 26 HE2 MET 626 HE2 MET 626 -7.317 -5.457 14.611 27 HE3 MET 626 HE3 MET 626 -6.177 -6.431 15.538 28 H SER 627 HN SER 627 -8.564 -0.156 13.179 29 HA SER 627 HA SER 627 -11.166 -1.211 13.030 30 HB2 SER 627 HB2 SER 627 -11.830 1.161 13.663 31 HB3 SER 627 HB1 SER 627 -10.667 0.386 14.739 32 HG SER 627 HG SER 627 -9.509 2.111 14.372 33 HA PRO 628 HA PRO 628 -12.110 0.105 8.841 34 HB2 PRO 628 HB2 PRO 628 -14.392 -1.278 8.590 35 HB3 PRO 628 HB1 PRO 628 -12.820 -2.083 8.542 36 HG2 PRO 628 HG2 PRO 628 -14.800 -1.923 10.765 37 HG3 PRO 628 HG1 PRO 628 -13.778 -3.281 10.266 38 HD2 PRO 628 HD2 PRO 628 -13.230 -1.571 12.375 39 HD3 PRO 628 HD1 PRO 628 -12.030 -2.572 11.539 40 H ASP 629 HN ASP 629 -13.582 0.752 11.773 41 HA ASP 629 HA ASP 629 -15.868 2.206 10.839 42 HB2 ASP 629 HB2 ASP 629 -15.846 1.211 13.077 43 HB3 ASP 629 HB1 ASP 629 -14.482 2.227 13.533 44 H ARG 630 HN ARG 630 -12.526 2.892 11.258 45 HA ARG 630 HA ARG 630 -13.071 5.700 10.578 46 HB2 ARG 630 HB2 ARG 630 -10.871 4.578 12.304 47 HB3 ARG 630 HB1 ARG 630 -10.820 6.198 11.630 48 HG2 ARG 630 HG2 ARG 630 -13.057 6.576 12.775 49 HG3 ARG 630 HG1 ARG 630 -12.723 5.084 13.655 50 HD2 ARG 630 HD2 ARG 630 -10.959 7.525 13.593 51 HD3 ARG 630 HD1 ARG 630 -12.033 7.073 14.915 52 HE ARG 630 HE ARG 630 -10.484 4.897 14.708 53 HH11 ARG 630 HH11 ARG 630 -9.670 8.305 14.804 54 HH12 ARG 630 HH12 ARG 630 -8.154 8.042 15.618 55 HH21 ARG 630 HH21 ARG 630 -8.461 4.565 15.756 56 HH22 ARG 630 HH22 ARG 630 -7.477 5.953 16.150 57 H CYS 631 HN CYS 631 -13.095 4.882 8.400 58 HA CYS 631 HA CYS 631 -10.370 4.589 7.316 59 HB2 CYS 631 HB2 CYS 631 -12.978 3.723 6.042 60 HB3 CYS 631 HB1 CYS 631 -11.363 3.452 5.401 61 HG CYS 631 HG CYS 631 -13.071 1.732 7.696 62 H GLN 632 HN GLN 632 -10.942 7.073 7.916 63 HA GLN 632 HA GLN 632 -11.994 8.312 5.462 64 HB2 GLN 632 HB2 GLN 632 -12.128 9.404 8.274 65 HB3 GLN 632 HB1 GLN 632 -12.787 10.168 6.836 66 HG2 GLN 632 HG2 GLN 632 -14.351 8.314 6.562 67 HG3 GLN 632 HG1 GLN 632 -13.682 7.535 7.996 68 HE21 GLN 632 HE21 GLN 632 -16.396 8.422 7.459 69 HE22 GLN 632 HE22 GLN 632 -16.793 9.546 8.714 70 H ASP 633 HN ASP 633 -9.734 8.773 8.166 71 HA ASP 633 HA ASP 633 -8.622 11.180 7.347 72 HB2 ASP 633 HB2 ASP 633 -7.469 8.954 9.018 73 HB3 ASP 633 HB1 ASP 633 -6.638 10.485 8.766 74 H TRP 634 HN TRP 634 -7.801 7.928 6.352 75 HA TRP 634 HA TRP 634 -5.267 8.516 5.267 76 HB2 TRP 634 HB2 TRP 634 -5.398 6.375 4.154 77 HB3 TRP 634 HB1 TRP 634 -6.051 6.209 5.777 78 HD1 TRP 634 HD1 TRP 634 -8.732 5.862 5.977 79 HE1 TRP 634 HE1 TRP 634 -10.436 4.900 4.306 80 HE3 TRP 634 HE3 TRP 634 -5.954 6.196 1.691 81 HZ2 TRP 634 HZ2 TRP 634 -10.581 4.346 1.549 82 HZ3 TRP 634 HZ3 TRP 634 -6.953 5.420 -0.418 83 HH2 TRP 634 HH2 TRP 634 -9.217 4.516 -0.489 84 H LEU 635 HN LEU 635 -8.484 8.989 4.123 85 HA LEU 635 HA LEU 635 -7.903 9.198 1.359 86 HB2 LEU 635 HB2 LEU 635 -10.167 10.217 3.059 87 HB3 LEU 635 HB1 LEU 635 -10.098 10.486 1.327 88 HG LEU 635 HG LEU 635 -9.961 7.713 2.481 89 HD11 LEU 635 HD11 LEU 635 -12.449 9.196 1.654 90 HD12 LEU 635 HD12 LEU 635 -12.003 8.804 3.313 91 HD13 LEU 635 HD13 LEU 635 -12.347 7.511 2.165 92 HD21 LEU 635 HD21 LEU 635 -9.279 7.919 0.180 93 HD22 LEU 635 HD22 LEU 635 -10.725 8.853 -0.202 94 HD23 LEU 635 HD23 LEU 635 -10.866 7.153 0.242 95 H GLU 636 HN GLU 636 -7.888 11.480 4.030 96 HA GLU 636 HA GLU 636 -7.442 13.806 2.486 97 HB2 GLU 636 HB2 GLU 636 -6.918 13.065 5.341 98 HB3 GLU 636 HB1 GLU 636 -6.271 14.566 4.699 99 HG2 GLU 636 HG2 GLU 636 -8.308 15.058 5.797 100 HG3 GLU 636 HG1 GLU 636 -8.590 15.211 4.066 101 H ALA 637 HN ALA 637 -5.265 11.550 4.094 102 HA ALA 637 HA ALA 637 -2.859 12.857 3.467 103 HB1 ALA 637 HB1 ALA 637 -1.778 10.815 4.160 104 HB2 ALA 637 HB2 ALA 637 -3.287 9.918 3.984 105 HB3 ALA 637 HB3 ALA 637 -3.133 11.153 5.235 106 H LEU 638 HN LEU 638 -4.487 10.110 1.900 107 HA LEU 638 HA LEU 638 -2.565 9.816 -0.156 108 HB2 LEU 638 HB2 LEU 638 -4.219 8.080 0.616 109 HB3 LEU 638 HB1 LEU 638 -5.465 8.985 -0.217 110 HG LEU 638 HG LEU 638 -4.304 8.606 -2.362 111 HD11 LEU 638 HD11 LEU 638 -2.029 8.387 -1.656 112 HD12 LEU 638 HD12 LEU 638 -2.515 6.874 -2.419 113 HD13 LEU 638 HD13 LEU 638 -2.421 6.986 -0.660 114 HD21 LEU 638 HD21 LEU 638 -4.888 6.100 -0.791 115 HD22 LEU 638 HD22 LEU 638 -4.820 6.223 -2.548 116 HD23 LEU 638 HD23 LEU 638 -6.069 7.087 -1.651 117 H HIS 639 HN HIS 639 -5.338 11.857 0.245 118 HA HIS 639 HA HIS 639 -5.955 12.483 -2.402 119 HB2 HIS 639 HB2 HIS 639 -7.332 13.153 -0.457 120 HB3 HIS 639 HB1 HIS 639 -6.094 14.315 0.005 121 HD1 HIS 639 HD1 HIS 639 -6.655 16.609 -0.681 122 HD2 HIS 639 HD2 HIS 639 -8.242 13.793 -3.295 123 HE1 HIS 639 HE1 HIS 639 -7.914 17.927 -2.409 124 HE2 HIS 639 HE2 HIS 639 -8.823 16.209 -4.012 125 H TRP 640 HN TRP 640 -3.573 13.948 -0.215 126 HA TRP 640 HA TRP 640 -2.713 15.707 -2.389 127 HB2 TRP 640 HB2 TRP 640 -1.878 15.706 0.520 128 HB3 TRP 640 HB1 TRP 640 -1.456 16.926 -0.678 129 HD1 TRP 640 HD1 TRP 640 -4.290 15.800 1.581 130 HE1 TRP 640 HE1 TRP 640 -6.171 17.557 1.543 131 HE3 TRP 640 HE3 TRP 640 -2.554 18.767 -2.218 132 HZ2 TRP 640 HZ2 TRP 640 -6.821 19.892 0.102 133 HZ3 TRP 640 HZ3 TRP 640 -3.873 20.741 -2.858 134 HH2 TRP 640 HH2 TRP 640 -5.958 21.290 -1.724 135 H TYR 641 HN TYR 641 -2.155 12.723 -1.703 136 HA TYR 641 HA TYR 641 -0.467 11.205 -1.656 137 HB2 TYR 641 HB2 TYR 641 -0.614 11.923 -4.062 138 HB3 TYR 641 HB1 TYR 641 0.745 13.002 -3.762 139 HD1 TYR 641 HD1 TYR 641 2.797 12.201 -4.455 140 HD2 TYR 641 HD2 TYR 641 -0.116 9.420 -3.084 141 HE1 TYR 641 HE1 TYR 641 4.366 10.360 -4.878 142 HE2 TYR 641 HE2 TYR 641 1.447 7.569 -3.506 143 HH TYR 641 HH TYR 641 4.751 8.065 -4.106 144 H ASN 642 HN ASN 642 -0.080 12.437 0.510 145 HA ASN 642 HA ASN 642 2.800 12.525 0.765 146 HB2 ASN 642 HB2 ASN 642 2.149 14.900 0.319 147 HB3 ASN 642 HB1 ASN 642 1.118 14.848 1.744 148 HD21 ASN 642 HD21 ASN 642 4.401 14.916 0.581 149 HD22 ASN 642 HD22 ASN 642 5.137 15.294 2.100 150 H THR 643 HN THR 643 2.439 10.587 1.904 151 HA THR 643 HA THR 643 1.138 10.972 4.512 152 HB THR 643 HB THR 643 -0.461 9.885 2.999 153 HG1 THR 643 HG1 THR 643 0.613 8.324 5.114 154 HG21 THR 643 HG21 THR 643 1.054 8.752 1.486 155 HG22 THR 643 HG22 THR 643 -0.040 7.581 2.219 156 HG23 THR 643 HG23 THR 643 1.622 7.713 2.792 157 H ALA 644 HN ALA 644 4.020 10.651 3.458 158 HA ALA 644 HA ALA 644 4.985 8.151 4.365 159 HB1 ALA 644 HB1 ALA 644 6.237 9.602 2.822 160 HB2 ALA 644 HB2 ALA 644 7.195 9.132 4.225 161 HB3 ALA 644 HB3 ALA 644 6.496 10.749 4.135 162 H LEU 645 HN LEU 645 4.413 11.217 5.924 163 HA LEU 645 HA LEU 645 5.218 10.035 8.493 164 HB2 LEU 645 HB2 LEU 645 6.570 12.004 7.702 165 HB3 LEU 645 HB1 LEU 645 5.108 12.968 7.785 166 HG LEU 645 HG LEU 645 4.985 12.524 10.222 167 HD11 LEU 645 HD11 LEU 645 7.644 11.183 9.768 168 HD12 LEU 645 HD12 LEU 645 6.161 10.422 10.343 169 HD13 LEU 645 HD13 LEU 645 6.985 11.616 11.344 170 HD21 LEU 645 HD21 LEU 645 7.590 13.716 9.288 171 HD22 LEU 645 HD22 LEU 645 6.813 14.000 10.846 172 HD23 LEU 645 HD23 LEU 645 6.041 14.554 9.360 173 H GLU 646 HN GLU 646 2.826 9.392 7.516 174 HA GLU 646 HA GLU 646 0.632 11.031 7.974 175 HB2 GLU 646 HB2 GLU 646 0.584 8.837 6.813 176 HB3 GLU 646 HB1 GLU 646 0.816 8.036 8.359 177 HG2 GLU 646 HG2 GLU 646 -1.335 9.307 9.048 178 HG3 GLU 646 HG1 GLU 646 -1.579 9.470 7.309 179 H MET 647 HN MET 647 -0.605 11.516 9.740 180 HA MET 647 HA MET 647 0.423 11.051 12.371 181 HB2 MET 647 HB2 MET 647 -2.228 12.155 11.419 182 HB3 MET 647 HB1 MET 647 -1.752 12.074 13.108 183 HG2 MET 647 HG2 MET 647 0.118 13.562 12.672 184 HG3 MET 647 HG1 MET 647 -0.312 13.616 10.963 185 HE1 MET 647 HE1 MET 647 -3.754 15.482 11.047 186 HE2 MET 647 HE2 MET 647 -3.515 13.737 11.113 187 HE3 MET 647 HE3 MET 647 -2.529 14.721 10.032 188 H THR 648 HN THR 648 0.562 8.769 12.386 189 HA THR 648 HA THR 648 -1.639 7.071 11.875 190 HB THR 648 HB THR 648 -0.145 5.378 13.137 191 HG1 THR 648 HG1 THR 648 1.410 6.387 14.178 192 HG21 THR 648 HG21 THR 648 0.869 6.778 10.659 193 HG22 THR 648 HG22 THR 648 -0.305 5.463 10.706 194 HG23 THR 648 HG23 THR 648 1.362 5.174 11.202 195 H ASP 649 HN ASP 649 -3.405 7.544 13.107 196 HA ASP 649 HA ASP 649 -3.136 7.490 16.012 197 HB2 ASP 649 HB2 ASP 649 -4.620 9.185 14.860 198 HB3 ASP 649 HB1 ASP 649 -5.675 7.847 14.409 199 H CYS 650 HN CYS 650 -2.759 5.430 16.594 200 HA CYS 650 HA CYS 650 -4.137 3.222 15.362 201 HB2 CYS 650 HB2 CYS 650 -2.247 3.293 17.728 202 HB3 CYS 650 HB1 CYS 650 -2.809 1.839 16.911 203 HG CYS 650 HG CYS 650 -0.087 3.265 16.334 204 H ASP 651 HN ASP 651 -5.373 1.658 16.567 205 HA ASP 651 HA ASP 651 -7.010 2.940 18.650 206 HB2 ASP 651 HB2 ASP 651 -7.633 0.810 16.611 207 HB3 ASP 651 HB1 ASP 651 -8.635 1.020 18.041 208 H GLU 652 HN GLU 652 -7.151 2.041 20.643 209 HA GLU 652 HA GLU 652 -5.411 -0.145 21.300 210 HB2 GLU 652 HB2 GLU 652 -7.232 1.647 22.847 211 HB3 GLU 652 HB1 GLU 652 -6.724 0.134 23.580 212 HG2 GLU 652 HG2 GLU 652 -5.262 1.865 24.315 213 HG3 GLU 652 HG1 GLU 652 -4.367 0.808 23.229 214 H GLY 653 HN GLY 653 -6.597 -1.461 19.640 215 HA2 GLY 653 HA2 GLY 653 -7.875 -3.619 20.720 216 HA3 GLY 653 HA1 GLY 653 -9.176 -2.516 20.284 217 H GLY 654 HN GLY 654 -9.514 -1.987 18.110 218 HA2 GLY 654 HA2 GLY 654 -9.090 -2.029 15.814 219 HA3 GLY 654 HA1 GLY 654 -7.750 -3.125 16.105 220 H GLU 655 HN GLU 655 -11.131 -2.844 15.457 221 HA GLU 655 HA GLU 655 -11.552 -5.711 15.401 222 HB2 GLU 655 HB2 GLU 655 -13.307 -3.427 14.478 223 HB3 GLU 655 HB1 GLU 655 -13.798 -5.112 14.558 224 HG2 GLU 655 HG2 GLU 655 -12.918 -3.499 16.935 225 HG3 GLU 655 HG1 GLU 655 -14.595 -3.705 16.440 226 H TYR 656 HN TYR 656 -9.755 -6.051 13.907 227 HA TYR 656 HA TYR 656 -9.594 -4.784 11.398 228 HB2 TYR 656 HB2 TYR 656 -7.703 -5.967 12.533 229 HB3 TYR 656 HB1 TYR 656 -8.473 -7.495 12.125 230 HD1 TYR 656 HD1 TYR 656 -6.754 -4.538 10.751 231 HD2 TYR 656 HD2 TYR 656 -8.376 -8.379 9.900 232 HE1 TYR 656 HE1 TYR 656 -5.610 -4.534 8.574 233 HE2 TYR 656 HE2 TYR 656 -7.237 -8.383 7.722 234 HH TYR 656 HH TYR 656 -6.343 -6.718 6.116 235 H ASP 657 HN ASP 657 -10.653 -5.077 9.587 236 HA ASP 657 HA ASP 657 -12.728 -6.996 9.338 237 HB2 ASP 657 HB2 ASP 657 -13.037 -4.915 8.233 238 HB3 ASP 657 HB1 ASP 657 -11.492 -5.050 7.400 239 H GLY 658 HN GLY 658 -12.090 -9.069 9.315 240 HA2 GLY 658 HA2 GLY 658 -9.930 -9.885 7.515 241 HA3 GLY 658 HA1 GLY 658 -10.661 -10.877 8.767 242 H MET 659 HN MET 659 -11.351 -9.319 5.684 243 HA MET 659 HA MET 659 -13.710 -10.630 5.043 244 HB2 MET 659 HB2 MET 659 -13.246 -10.040 2.730 245 HB3 MET 659 HB1 MET 659 -12.816 -8.709 3.795 246 HG2 MET 659 HG2 MET 659 -10.454 -9.437 3.672 247 HG3 MET 659 HG1 MET 659 -10.932 -10.663 2.498 248 HE1 MET 659 HE1 MET 659 -8.639 -8.633 1.823 249 HE2 MET 659 HE2 MET 659 -9.090 -8.173 0.181 250 HE3 MET 659 HE3 MET 659 -9.259 -9.849 0.705 251 H GLN 660 HN GLN 660 -14.208 -12.474 3.878 252 HA GLN 660 HA GLN 660 -12.335 -14.649 4.197 253 HB2 GLN 660 HB2 GLN 660 -15.170 -14.539 3.169 254 HB3 GLN 660 HB1 GLN 660 -14.228 -16.018 3.255 255 HG2 GLN 660 HG2 GLN 660 -14.031 -15.740 5.679 256 HG3 GLN 660 HG1 GLN 660 -15.013 -14.278 5.579 257 HE21 GLN 660 HE21 GLN 660 -15.473 -16.832 6.970 258 HE22 GLN 660 HE22 GLN 660 -17.007 -17.396 6.401 259 H ASP 661 HN ASP 661 -10.963 -13.320 2.620 260 HA ASP 661 HA ASP 661 -10.963 -14.764 0.134 261 HB2 ASP 661 HB2 ASP 661 -12.473 -12.832 -0.366 262 HB3 ASP 661 HB1 ASP 661 -11.156 -11.741 0.053 263 H GLU 662 HN GLU 662 -8.902 -14.940 -0.646 264 HA GLU 662 HA GLU 662 -6.807 -14.306 1.126 265 HB2 GLU 662 HB2 GLU 662 -5.304 -15.130 -0.682 266 HB3 GLU 662 HB1 GLU 662 -6.596 -16.245 -0.268 267 HG2 GLU 662 HG2 GLU 662 -7.840 -15.569 -2.236 268 HG3 GLU 662 HG1 GLU 662 -6.591 -14.390 -2.638 269 HA PRO 663 HA PRO 663 -6.309 -10.151 -0.392 270 HB2 PRO 663 HB2 PRO 663 -4.592 -9.313 1.526 271 HB3 PRO 663 HB1 PRO 663 -6.332 -9.462 1.797 272 HG2 PRO 663 HG2 PRO 663 -4.121 -11.258 2.665 273 HG3 PRO 663 HG1 PRO 663 -5.646 -10.867 3.484 274 HD2 PRO 663 HD2 PRO 663 -5.135 -13.193 2.040 275 HD3 PRO 663 HD1 PRO 663 -6.751 -12.572 2.448 276 H ARG 664 HN ARG 664 -5.084 -9.756 -2.090 277 HA ARG 664 HA ARG 664 -2.601 -11.079 -2.565 278 HB2 ARG 664 HB2 ARG 664 -4.130 -10.476 -4.388 279 HB3 ARG 664 HB1 ARG 664 -3.926 -8.772 -4.013 280 HG2 ARG 664 HG2 ARG 664 -1.567 -8.922 -4.629 281 HG3 ARG 664 HG1 ARG 664 -1.778 -10.633 -5.006 282 HD2 ARG 664 HD2 ARG 664 -3.437 -10.031 -6.720 283 HD3 ARG 664 HD1 ARG 664 -3.177 -8.326 -6.357 284 HE ARG 664 HE ARG 664 -0.858 -9.901 -7.166 285 HH11 ARG 664 HH11 ARG 664 -3.330 -7.577 -8.040 286 HH12 ARG 664 HH12 ARG 664 -2.471 -6.999 -9.430 287 HH21 ARG 664 HH21 ARG 664 0.279 -9.128 -8.995 288 HH22 ARG 664 HH22 ARG 664 -0.420 -7.875 -9.972 289 H TYR 665 HN TYR 665 -3.569 -7.977 -1.324 290 HA TYR 665 HA TYR 665 -1.153 -6.609 -1.744 291 HB2 TYR 665 HB2 TYR 665 -2.022 -5.033 0.024 292 HB3 TYR 665 HB1 TYR 665 -3.065 -5.286 -1.371 293 HD1 TYR 665 HD1 TYR 665 -5.105 -6.701 -1.125 294 HD2 TYR 665 HD2 TYR 665 -2.756 -5.535 2.218 295 HE1 TYR 665 HE1 TYR 665 -6.991 -7.210 0.366 296 HE2 TYR 665 HE2 TYR 665 -4.637 -6.049 3.721 297 HH TYR 665 HH TYR 665 -7.339 -7.811 2.751 298 H MET 666 HN MET 666 -2.132 -8.813 0.776 299 HA MET 666 HA MET 666 -0.085 -8.038 2.616 300 HB2 MET 666 HB2 MET 666 -1.988 -10.333 2.424 301 HB3 MET 666 HB1 MET 666 -0.591 -10.480 3.490 302 HG2 MET 666 HG2 MET 666 -2.692 -8.326 3.616 303 HG3 MET 666 HG1 MET 666 -2.550 -9.706 4.703 304 HE1 MET 666 HE1 MET 666 -2.582 -8.172 6.813 305 HE2 MET 666 HE2 MET 666 -2.747 -6.727 5.814 306 HE3 MET 666 HE3 MET 666 -1.506 -6.799 7.066 307 H MET 667 HN MET 667 -0.361 -10.446 0.072 308 HA MET 667 HA MET 667 2.125 -11.717 0.628 309 HB2 MET 667 HB2 MET 667 0.334 -12.830 -0.628 310 HB3 MET 667 HB1 MET 667 0.470 -11.629 -1.902 311 HG2 MET 667 HG2 MET 667 2.683 -12.410 -2.456 312 HG3 MET 667 HG1 MET 667 2.649 -13.551 -1.114 313 HE1 MET 667 HE1 MET 667 -0.415 -12.718 -3.464 314 HE2 MET 667 HE2 MET 667 -0.149 -13.866 -4.776 315 HE3 MET 667 HE3 MET 667 0.986 -12.541 -4.519 316 H LEU 668 HN LEU 668 1.053 -9.199 -1.609 317 HA LEU 668 HA LEU 668 3.587 -8.754 -2.800 318 HB2 LEU 668 HB2 LEU 668 1.030 -7.222 -2.651 319 HB3 LEU 668 HB1 LEU 668 2.473 -6.386 -3.190 320 HG LEU 668 HG LEU 668 2.720 -7.896 -5.061 321 HD11 LEU 668 HD11 LEU 668 1.951 -9.964 -4.075 322 HD12 LEU 668 HD12 LEU 668 1.040 -9.621 -5.545 323 HD13 LEU 668 HD13 LEU 668 0.309 -9.331 -3.968 324 HD21 LEU 668 HD21 LEU 668 0.671 -7.362 -6.293 325 HD22 LEU 668 HD22 LEU 668 1.276 -5.983 -5.375 326 HD23 LEU 668 HD23 LEU 668 -0.107 -6.899 -4.778 327 H ALA 669 HN ALA 669 2.073 -7.561 0.149 328 HA ALA 669 HA ALA 669 4.033 -5.504 0.573 329 HB1 ALA 669 HB1 ALA 669 2.057 -6.707 2.510 330 HB2 ALA 669 HB2 ALA 669 1.772 -5.293 1.496 331 HB3 ALA 669 HB3 ALA 669 2.999 -5.238 2.764 332 H ARG 670 HN ARG 670 3.558 -8.861 1.540 333 HA ARG 670 HA ARG 670 5.645 -9.019 3.415 334 HB2 ARG 670 HB2 ARG 670 4.025 -10.845 3.111 335 HB3 ARG 670 HB1 ARG 670 4.676 -11.154 1.505 336 HG2 ARG 670 HG2 ARG 670 6.900 -11.569 2.624 337 HG3 ARG 670 HG1 ARG 670 6.029 -11.556 4.155 338 HD2 ARG 670 HD2 ARG 670 4.655 -13.411 3.412 339 HD3 ARG 670 HD1 ARG 670 5.455 -13.396 1.841 340 HE ARG 670 HE ARG 670 7.227 -13.742 4.098 341 HH11 ARG 670 HH11 ARG 670 5.220 -15.338 1.720 342 HH12 ARG 670 HH12 ARG 670 6.094 -16.836 1.793 343 HH21 ARG 670 HH21 ARG 670 8.386 -15.708 4.209 344 HH22 ARG 670 HH22 ARG 670 7.899 -17.048 3.220 345 H GLU 671 HN GLU 671 5.596 -9.506 -0.125 346 HA GLU 671 HA GLU 671 8.350 -10.101 -0.340 347 HB2 GLU 671 HB2 GLU 671 6.739 -10.621 -2.120 348 HB3 GLU 671 HB1 GLU 671 6.457 -8.905 -2.377 349 HG2 GLU 671 HG2 GLU 671 8.664 -8.584 -3.200 350 HG3 GLU 671 HG1 GLU 671 9.142 -10.212 -2.725 351 H ALA 672 HN ALA 672 6.487 -7.103 -0.687 352 HA ALA 672 HA ALA 672 8.518 -5.306 -1.178 353 HB1 ALA 672 HB1 ALA 672 7.092 -3.611 -0.264 354 HB2 ALA 672 HB2 ALA 672 6.174 -4.808 0.644 355 HB3 ALA 672 HB3 ALA 672 6.093 -4.784 -1.114 356 H GLU 673 HN GLU 673 7.454 -6.586 1.958 357 HA GLU 673 HA GLU 673 9.208 -4.971 3.499 358 HB2 GLU 673 HB2 GLU 673 7.144 -6.070 4.370 359 HB3 GLU 673 HB1 GLU 673 7.966 -7.620 4.258 360 HG2 GLU 673 HG2 GLU 673 9.611 -6.897 5.876 361 HG3 GLU 673 HG1 GLU 673 8.872 -5.298 5.943 362 H MET 674 HN MET 674 9.432 -8.209 2.112 363 HA MET 674 HA MET 674 11.934 -8.843 3.314 364 HB2 MET 674 HB2 MET 674 10.562 -9.965 0.866 365 HB3 MET 674 HB1 MET 674 12.073 -10.595 1.505 366 HG2 MET 674 HG2 MET 674 10.842 -10.957 3.685 367 HG3 MET 674 HG1 MET 674 9.361 -10.618 2.793 368 HE1 MET 674 HE1 MET 674 8.475 -12.104 0.772 369 HE2 MET 674 HE2 MET 674 9.314 -13.530 0.164 370 HE3 MET 674 HE3 MET 674 10.019 -11.931 -0.064 371 H LEU 675 HN LEU 675 10.984 -7.029 0.479 372 HA LEU 675 HA LEU 675 13.715 -6.851 -0.480 373 HB2 LEU 675 HB2 LEU 675 11.048 -5.902 -1.408 374 HB3 LEU 675 HB1 LEU 675 12.452 -4.992 -1.919 375 HG LEU 675 HG LEU 675 11.754 -6.615 -3.613 376 HD11 LEU 675 HD11 LEU 675 14.389 -7.306 -2.335 377 HD12 LEU 675 HD12 LEU 675 14.092 -6.001 -3.486 378 HD13 LEU 675 HD13 LEU 675 13.909 -7.681 -3.990 379 HD21 LEU 675 HD21 LEU 675 12.406 -8.714 -1.551 380 HD22 LEU 675 HD22 LEU 675 11.986 -9.006 -3.238 381 HD23 LEU 675 HD23 LEU 675 10.794 -8.307 -2.142 382 H PHE 676 HN PHE 676 11.670 -5.257 1.737 383 HA PHE 676 HA PHE 676 13.010 -2.710 1.573 384 HB2 PHE 676 HB2 PHE 676 10.629 -2.833 2.205 385 HB3 PHE 676 HB1 PHE 676 11.066 -3.747 3.650 386 HD1 PHE 676 HD1 PHE 676 11.004 -2.541 5.589 387 HD2 PHE 676 HD2 PHE 676 12.195 -0.582 2.005 388 HE1 PHE 676 HE1 PHE 676 11.306 -0.442 6.836 389 HE2 PHE 676 HE2 PHE 676 12.498 1.514 3.248 390 HZ PHE 676 HZ PHE 676 12.052 1.589 5.664 391 H THR 677 HN THR 677 12.706 -5.138 4.190 392 HA THR 677 HA THR 677 15.057 -3.887 5.412 393 HB THR 677 HB THR 677 12.962 -4.009 6.752 394 HG1 THR 677 HG1 THR 677 15.175 -4.067 7.663 395 HG21 THR 677 HG21 THR 677 12.112 -6.152 5.958 396 HG22 THR 677 HG22 THR 677 12.291 -6.164 7.712 397 HG23 THR 677 HG23 THR 677 13.480 -6.983 6.700 398 H GLY 678 HN GLY 678 14.428 -6.412 3.440 399 HA2 GLY 678 HA2 GLY 678 16.110 -7.954 2.778 400 HA3 GLY 678 HA1 GLY 678 16.804 -7.843 4.392 401 H GLY 679 HN GLY 679 15.465 -9.977 2.457 402 HA2 GLY 679 HA2 GLY 679 14.041 -11.330 4.663 403 HA3 GLY 679 HA1 GLY 679 13.457 -11.382 3.006 404 H TYR 680 HN TYR 680 13.874 -13.716 4.279 405 HA TYR 680 HA TYR 680 16.494 -14.766 3.887 406 HB2 TYR 680 HB2 TYR 680 13.836 -16.129 4.357 407 HB3 TYR 680 HB1 TYR 680 15.378 -16.979 4.297 408 HD1 TYR 680 HD1 TYR 680 17.068 -16.592 6.058 409 HD2 TYR 680 HD2 TYR 680 13.179 -14.886 6.285 410 HE1 TYR 680 HE1 TYR 680 17.399 -16.179 8.458 411 HE2 TYR 680 HE2 TYR 680 13.501 -14.465 8.686 412 HH TYR 680 HH TYR 680 14.889 -15.428 10.546 413 H GLY 681 HN GLY 681 16.940 -14.208 1.703 414 HA2 GLY 681 HA2 GLY 681 17.264 -15.649 -0.298 415 HA3 GLY 681 HA1 GLY 681 15.521 -15.912 -0.259 416 H LEU 682 HN LEU 682 15.455 -12.934 0.634 417 HA LEU 682 HA LEU 682 15.615 -11.840 -2.089 418 HB2 LEU 682 HB2 LEU 682 13.745 -11.171 0.178 419 HB3 LEU 682 HB1 LEU 682 13.941 -10.134 -1.219 420 HG LEU 682 HG LEU 682 11.959 -11.399 -1.554 421 HD11 LEU 682 HD11 LEU 682 12.417 -12.608 -3.593 422 HD12 LEU 682 HD12 LEU 682 14.130 -12.688 -3.193 423 HD13 LEU 682 HD13 LEU 682 13.375 -11.129 -3.530 424 HD21 LEU 682 HD21 LEU 682 13.582 -13.872 -0.987 425 HD22 LEU 682 HD22 LEU 682 11.906 -13.848 -1.534 426 HD23 LEU 682 HD23 LEU 682 12.327 -13.180 0.043 427 H GLU 683 HN GLU 683 17.152 -10.404 -2.387 428 HA GLU 683 HA GLU 683 18.555 -9.205 -0.168 429 HB2 GLU 683 HB2 GLU 683 19.662 -10.016 -2.280 430 HB3 GLU 683 HB1 GLU 683 18.877 -8.696 -3.133 431 HG2 GLU 683 HG2 GLU 683 21.198 -8.186 -2.591 432 HG3 GLU 683 HG1 GLU 683 20.078 -7.079 -1.797 433 H LYS 684 HN LYS 684 18.322 -7.138 0.563 434 HA LYS 684 HA LYS 684 15.868 -5.864 -0.034 435 HB2 LYS 684 HB2 LYS 684 16.441 -4.221 1.605 436 HB3 LYS 684 HB1 LYS 684 16.955 -5.789 2.201 437 HG2 LYS 684 HG2 LYS 684 19.256 -5.290 1.651 438 HG3 LYS 684 HG1 LYS 684 18.776 -3.760 0.915 439 HD2 LYS 684 HD2 LYS 684 18.382 -4.494 3.819 440 HD3 LYS 684 HD1 LYS 684 19.686 -3.478 3.194 441 HE2 LYS 684 HE2 LYS 684 18.012 -1.883 2.351 442 HE3 LYS 684 HE1 LYS 684 16.729 -2.899 2.999 443 HZ1 LYS 684 HZ1 LYS 684 17.505 -2.496 5.209 444 HZ2 LYS 684 HZ2 LYS 684 17.306 -1.005 4.428 445 HZ3 LYS 684 HZ3 LYS 684 18.856 -1.649 4.637 446 H ASP 685 HN ASP 685 15.353 -4.076 -1.090 447 HA ASP 685 HA ASP 685 17.318 -2.317 -2.262 448 HB2 ASP 685 HB2 ASP 685 17.275 -3.952 -4.034 449 HB3 ASP 685 HB1 ASP 685 15.514 -4.032 -3.988 450 HA PRO 686 HA PRO 686 13.952 0.228 -0.719 451 HB2 PRO 686 HB2 PRO 686 15.453 2.261 -2.303 452 HB3 PRO 686 HB1 PRO 686 14.868 2.341 -0.637 453 HG2 PRO 686 HG2 PRO 686 17.446 1.934 -1.153 454 HG3 PRO 686 HG1 PRO 686 16.639 1.088 0.184 455 HD2 PRO 686 HD2 PRO 686 17.456 0.050 -2.501 456 HD3 PRO 686 HD1 PRO 686 17.433 -0.778 -0.924 457 H GLN 687 HN GLN 687 14.952 0.115 -4.110 458 HA GLN 687 HA GLN 687 12.705 1.611 -5.040 459 HB2 GLN 687 HB2 GLN 687 14.915 1.332 -6.264 460 HB3 GLN 687 HB1 GLN 687 14.370 -0.285 -6.690 461 HG2 GLN 687 HG2 GLN 687 12.769 2.171 -7.333 462 HG3 GLN 687 HG1 GLN 687 14.018 1.547 -8.406 463 HE21 GLN 687 HE21 GLN 687 11.026 1.803 -8.597 464 HE22 GLN 687 HE22 GLN 687 10.488 0.234 -9.079 465 H ARG 688 HN ARG 688 13.536 -1.879 -5.079 466 HA ARG 688 HA ARG 688 11.096 -2.717 -6.225 467 HB2 ARG 688 HB2 ARG 688 13.112 -4.142 -4.493 468 HB3 ARG 688 HB1 ARG 688 11.681 -4.940 -5.118 469 HG2 ARG 688 HG2 ARG 688 12.432 -4.473 -7.404 470 HG3 ARG 688 HG1 ARG 688 13.889 -3.712 -6.759 471 HD2 ARG 688 HD2 ARG 688 14.569 -5.793 -5.742 472 HD3 ARG 688 HD1 ARG 688 13.062 -6.563 -6.236 473 HE ARG 688 HE ARG 688 14.574 -5.509 -8.438 474 HH11 ARG 688 HH11 ARG 688 14.158 -8.246 -6.302 475 HH12 ARG 688 HH12 ARG 688 14.868 -9.385 -7.397 476 HH21 ARG 688 HH21 ARG 688 15.520 -7.006 -9.898 477 HH22 ARG 688 HH22 ARG 688 15.650 -8.676 -9.446 478 H SER 689 HN SER 689 12.169 -2.155 -2.935 479 HA SER 689 HA SER 689 10.049 -3.140 -1.490 480 HB2 SER 689 HB2 SER 689 12.078 -2.144 -0.486 481 HB3 SER 689 HB1 SER 689 11.516 -0.544 -0.978 482 HG SER 689 HG SER 689 9.989 -2.275 0.659 483 H GLY 690 HN GLY 690 10.312 0.220 -2.840 484 HA2 GLY 690 HA2 GLY 690 7.680 0.876 -2.041 485 HA3 GLY 690 HA1 GLY 690 8.697 1.771 -3.171 486 H ASP 691 HN ASP 691 9.079 -0.522 -4.945 487 HA ASP 691 HA ASP 691 6.878 -0.138 -6.671 488 HB2 ASP 691 HB2 ASP 691 9.072 -0.876 -7.495 489 HB3 ASP 691 HB1 ASP 691 8.896 -2.402 -6.630 490 H LEU 692 HN LEU 692 7.726 -2.923 -4.597 491 HA LEU 692 HA LEU 692 5.330 -4.329 -5.172 492 HB2 LEU 692 HB2 LEU 692 7.486 -4.604 -3.135 493 HB3 LEU 692 HB1 LEU 692 5.976 -5.450 -2.879 494 HG LEU 692 HG LEU 692 7.612 -6.915 -3.876 495 HD11 LEU 692 HD11 LEU 692 5.221 -7.161 -4.421 496 HD12 LEU 692 HD12 LEU 692 6.294 -7.774 -5.678 497 HD13 LEU 692 HD13 LEU 692 5.490 -6.219 -5.890 498 HD21 LEU 692 HD21 LEU 692 8.966 -5.254 -5.039 499 HD22 LEU 692 HD22 LEU 692 7.659 -4.998 -6.196 500 HD23 LEU 692 HD23 LEU 692 8.476 -6.559 -6.117 501 H TYR 693 HN TYR 693 6.239 -2.006 -2.661 502 HA TYR 693 HA TYR 693 3.928 -2.406 -1.070 503 HB2 TYR 693 HB2 TYR 693 6.030 -0.299 -1.214 504 HB3 TYR 693 HB1 TYR 693 4.510 0.116 -0.416 505 HD1 TYR 693 HD1 TYR 693 3.686 -1.969 1.184 506 HD2 TYR 693 HD2 TYR 693 7.708 -0.939 0.250 507 HE1 TYR 693 HE1 TYR 693 4.441 -3.055 3.255 508 HE2 TYR 693 HE2 TYR 693 8.472 -2.029 2.315 509 HH TYR 693 HH TYR 693 6.445 -4.047 4.194 510 H THR 694 HN THR 694 4.595 -0.277 -3.820 511 HA THR 694 HA THR 694 2.139 1.149 -3.547 512 HB THR 694 HB THR 694 2.604 1.863 -5.965 513 HG1 THR 694 HG1 THR 694 5.145 0.696 -5.404 514 HG21 THR 694 HG21 THR 694 4.380 3.402 -5.270 515 HG22 THR 694 HG22 THR 694 4.677 2.415 -3.839 516 HG23 THR 694 HG23 THR 694 3.137 3.254 -4.028 517 H GLN 695 HN GLN 695 3.174 -1.625 -5.551 518 HA GLN 695 HA GLN 695 0.661 -1.930 -6.829 519 HB2 GLN 695 HB2 GLN 695 3.034 -3.676 -6.426 520 HB3 GLN 695 HB1 GLN 695 1.516 -4.469 -6.816 521 HG2 GLN 695 HG2 GLN 695 2.564 -4.145 -8.871 522 HG3 GLN 695 HG1 GLN 695 1.355 -2.869 -8.775 523 HE21 GLN 695 HE21 GLN 695 4.739 -3.612 -8.765 524 HE22 GLN 695 HE22 GLN 695 5.311 -1.988 -8.941 525 H ALA 696 HN ALA 696 2.005 -3.238 -3.815 526 HA ALA 696 HA ALA 696 -0.149 -4.819 -3.059 527 HB1 ALA 696 HB1 ALA 696 2.032 -4.792 -1.909 528 HB2 ALA 696 HB2 ALA 696 0.676 -4.627 -0.794 529 HB3 ALA 696 HB3 ALA 696 1.633 -3.213 -1.235 530 H ALA 697 HN ALA 697 0.414 -1.322 -2.545 531 HA ALA 697 HA ALA 697 -1.894 -0.946 -0.963 532 HB1 ALA 697 HB1 ALA 697 0.062 0.589 -1.028 533 HB2 ALA 697 HB2 ALA 697 -1.485 1.402 -1.254 534 HB3 ALA 697 HB3 ALA 697 -0.443 1.090 -2.641 535 H GLU 698 HN GLU 698 -1.224 -0.765 -4.412 536 HA GLU 698 HA GLU 698 -3.668 0.279 -5.282 537 HB2 GLU 698 HB2 GLU 698 -1.608 -0.122 -6.669 538 HB3 GLU 698 HB1 GLU 698 -2.004 -1.833 -6.669 539 HG2 GLU 698 HG2 GLU 698 -2.750 -0.920 -8.720 540 HG3 GLU 698 HG1 GLU 698 -4.176 -1.251 -7.740 541 H ALA 699 HN ALA 699 -2.640 -3.094 -4.771 542 HA ALA 699 HA ALA 699 -5.135 -4.270 -5.405 543 HB1 ALA 699 HB1 ALA 699 -3.007 -5.501 -5.417 544 HB2 ALA 699 HB2 ALA 699 -4.223 -6.292 -4.413 545 HB3 ALA 699 HB3 ALA 699 -2.928 -5.360 -3.660 546 H ALA 700 HN ALA 700 -3.840 -2.858 -2.513 547 HA ALA 700 HA ALA 700 -5.737 -3.993 -0.691 548 HB1 ALA 700 HB1 ALA 700 -3.569 -3.149 0.072 549 HB2 ALA 700 HB2 ALA 700 -4.906 -2.363 0.911 550 HB3 ALA 700 HB3 ALA 700 -4.051 -1.515 -0.378 551 H MET 701 HN MET 701 -5.405 -0.786 -2.205 552 HA MET 701 HA MET 701 -7.823 0.248 -1.181 553 HB2 MET 701 HB2 MET 701 -5.984 1.646 -2.077 554 HB3 MET 701 HB1 MET 701 -6.337 1.048 -3.693 555 HG2 MET 701 HG2 MET 701 -8.481 2.111 -3.688 556 HG3 MET 701 HG1 MET 701 -8.301 2.562 -1.993 557 HE1 MET 701 HE1 MET 701 -5.647 4.324 -5.340 558 HE2 MET 701 HE2 MET 701 -6.848 3.061 -5.619 559 HE3 MET 701 HE3 MET 701 -5.408 2.713 -4.662 560 H GLU 702 HN GLU 702 -7.036 -1.658 -4.000 561 HA GLU 702 HA GLU 702 -9.503 -1.467 -5.349 562 HB2 GLU 702 HB2 GLU 702 -7.584 -2.410 -6.450 563 HB3 GLU 702 HB1 GLU 702 -7.436 -3.663 -5.230 564 HG2 GLU 702 HG2 GLU 702 -9.524 -4.658 -5.975 565 HG3 GLU 702 HG1 GLU 702 -9.710 -3.382 -7.179 566 H ALA 703 HN ALA 703 -8.346 -3.602 -2.799 567 HA ALA 703 HA ALA 703 -10.801 -5.118 -2.690 568 HB1 ALA 703 HB1 ALA 703 -8.681 -6.207 -2.204 569 HB2 ALA 703 HB2 ALA 703 -9.751 -6.280 -0.805 570 HB3 ALA 703 HB3 ALA 703 -8.420 -5.123 -0.837 571 H MET 704 HN MET 704 -10.501 -2.100 -2.008 572 HA MET 704 HA MET 704 -11.595 -0.591 -0.716 573 HB2 MET 704 HB2 MET 704 -13.073 -3.025 0.298 574 HB3 MET 704 HB1 MET 704 -13.504 -1.366 0.685 575 HG2 MET 704 HG2 MET 704 -13.993 -0.910 -1.633 576 HG3 MET 704 HG1 MET 704 -13.447 -2.523 -2.093 577 HE1 MET 704 HE1 MET 704 -16.090 -0.487 -0.039 578 HE2 MET 704 HE2 MET 704 -15.499 -1.651 1.144 579 HE3 MET 704 HE3 MET 704 -17.152 -1.766 0.546 580 H LYS 705 HN LYS 705 -9.194 -2.120 0.204 581 HA LYS 705 HA LYS 705 -9.467 -1.805 3.113 582 HB2 LYS 705 HB2 LYS 705 -7.192 -3.049 1.549 583 HB3 LYS 705 HB1 LYS 705 -7.423 -3.106 3.290 584 HG2 LYS 705 HG2 LYS 705 -9.253 -4.366 1.257 585 HG3 LYS 705 HG1 LYS 705 -8.015 -5.215 2.176 586 HD2 LYS 705 HD2 LYS 705 -10.289 -3.703 3.452 587 HD3 LYS 705 HD1 LYS 705 -10.356 -5.423 3.067 588 HE2 LYS 705 HE2 LYS 705 -8.443 -5.837 4.510 589 HE3 LYS 705 HE1 LYS 705 -8.322 -4.114 4.863 590 HZ1 LYS 705 HZ1 LYS 705 -10.695 -5.786 5.502 591 HZ2 LYS 705 HZ2 LYS 705 -10.426 -4.176 5.956 592 HZ3 LYS 705 HZ3 LYS 705 -9.466 -5.406 6.605 593 H GLY 706 HN GLY 706 -9.589 0.555 2.195 594 HA2 GLY 706 HA2 GLY 706 -7.406 1.891 1.132 595 HA3 GLY 706 HA1 GLY 706 -8.662 2.641 2.100 596 H ARG 707 HN ARG 707 -8.136 1.281 4.551 597 HA ARG 707 HA ARG 707 -6.112 2.870 5.651 598 HB2 ARG 707 HB2 ARG 707 -7.858 1.882 7.027 599 HB3 ARG 707 HB1 ARG 707 -7.286 0.265 6.652 600 HG2 ARG 707 HG2 ARG 707 -6.633 0.928 8.892 601 HG3 ARG 707 HG1 ARG 707 -5.216 0.703 7.868 602 HD2 ARG 707 HD2 ARG 707 -6.447 3.412 8.303 603 HD3 ARG 707 HD1 ARG 707 -5.259 2.740 9.419 604 HE ARG 707 HE ARG 707 -4.285 2.594 6.770 605 HH11 ARG 707 HH11 ARG 707 -4.897 4.938 9.302 606 HH12 ARG 707 HH12 ARG 707 -3.623 6.005 8.787 607 HH21 ARG 707 HH21 ARG 707 -2.632 4.006 6.104 608 HH22 ARG 707 HH22 ARG 707 -2.339 5.481 6.987 609 H LEU 708 HN LEU 708 -6.027 -0.562 4.710 610 HA LEU 708 HA LEU 708 -3.322 -1.027 5.330 611 HB2 LEU 708 HB2 LEU 708 -5.249 -2.311 3.408 612 HB3 LEU 708 HB1 LEU 708 -3.578 -2.823 3.474 613 HG LEU 708 HG LEU 708 -5.025 -4.316 4.754 614 HD11 LEU 708 HD11 LEU 708 -3.777 -4.329 6.842 615 HD12 LEU 708 HD12 LEU 708 -3.182 -2.704 6.501 616 HD13 LEU 708 HD13 LEU 708 -2.722 -4.051 5.458 617 HD21 LEU 708 HD21 LEU 708 -6.748 -2.689 5.387 618 HD22 LEU 708 HD22 LEU 708 -5.611 -1.932 6.502 619 HD23 LEU 708 HD23 LEU 708 -6.144 -3.591 6.777 620 H ALA 709 HN ALA 709 -4.944 -0.064 2.361 621 HA ALA 709 HA ALA 709 -2.801 0.088 0.631 622 HB1 ALA 709 HB1 ALA 709 -5.138 0.335 -0.056 623 HB2 ALA 709 HB2 ALA 709 -4.127 1.638 -0.683 624 HB3 ALA 709 HB3 ALA 709 -5.184 1.928 0.699 625 H ASN 710 HN ASN 710 -4.129 2.733 2.614 626 HA ASN 710 HA ASN 710 -2.207 4.607 1.773 627 HB2 ASN 710 HB2 ASN 710 -4.454 5.079 2.886 628 HB3 ASN 710 HB1 ASN 710 -3.640 4.762 4.415 629 HD21 ASN 710 HD21 ASN 710 -2.113 6.257 5.181 630 HD22 ASN 710 HD22 ASN 710 -1.902 7.813 4.466 631 H GLN 711 HN GLN 711 -2.275 2.399 4.581 632 HA GLN 711 HA GLN 711 0.096 3.265 5.769 633 HB2 GLN 711 HB2 GLN 711 -1.079 0.487 5.588 634 HB3 GLN 711 HB1 GLN 711 0.330 0.875 6.561 635 HG2 GLN 711 HG2 GLN 711 -1.016 2.476 7.848 636 HG3 GLN 711 HG1 GLN 711 -2.429 2.029 6.896 637 HE21 GLN 711 HE21 GLN 711 -1.547 -0.820 6.834 638 HE22 GLN 711 HE22 GLN 711 -1.930 -1.445 8.401 639 H TYR 712 HN TYR 712 -0.317 0.693 3.338 640 HA TYR 712 HA TYR 712 2.434 0.318 2.941 641 HB2 TYR 712 HB2 TYR 712 0.139 -0.302 1.078 642 HB3 TYR 712 HB1 TYR 712 1.804 -0.852 0.833 643 HD1 TYR 712 HD1 TYR 712 2.567 -1.494 3.631 644 HD2 TYR 712 HD2 TYR 712 -1.016 -2.309 1.498 645 HE1 TYR 712 HE1 TYR 712 2.139 -3.409 5.104 646 HE2 TYR 712 HE2 TYR 712 -1.456 -4.234 2.966 647 HH TYR 712 HH TYR 712 -0.152 -5.781 4.435 648 H TYR 713 HN TYR 713 0.282 2.734 1.567 649 HA TYR 713 HA TYR 713 2.169 3.681 -0.358 650 HB2 TYR 713 HB2 TYR 713 -0.263 4.881 0.936 651 HB3 TYR 713 HB1 TYR 713 0.831 5.913 0.025 652 HD1 TYR 713 HD1 TYR 713 -2.107 4.106 -0.209 653 HD2 TYR 713 HD2 TYR 713 1.496 4.797 -2.364 654 HE1 TYR 713 HE1 TYR 713 -3.239 3.464 -2.295 655 HE2 TYR 713 HE2 TYR 713 0.370 4.158 -4.459 656 HH TYR 713 HH TYR 713 -1.548 2.826 -5.178 657 H GLN 714 HN GLN 714 1.411 4.538 2.989 658 HA GLN 714 HA GLN 714 3.332 6.524 3.421 659 HB2 GLN 714 HB2 GLN 714 1.614 6.106 5.058 660 HB3 GLN 714 HB1 GLN 714 2.141 4.442 5.264 661 HG2 GLN 714 HG2 GLN 714 4.285 5.310 6.187 662 HG3 GLN 714 HG1 GLN 714 3.592 6.931 6.124 663 HE21 GLN 714 HE21 GLN 714 0.909 5.962 6.824 664 HE22 GLN 714 HE22 GLN 714 0.967 5.617 8.515 665 H LYS 715 HN LYS 715 3.584 3.101 3.124 666 HA LYS 715 HA LYS 715 6.167 2.954 4.438 667 HB2 LYS 715 HB2 LYS 715 4.084 1.141 4.048 668 HB3 LYS 715 HB1 LYS 715 5.331 0.589 2.937 669 HG2 LYS 715 HG2 LYS 715 5.746 1.073 5.883 670 HG3 LYS 715 HG1 LYS 715 5.410 -0.496 5.155 671 HD2 LYS 715 HD2 LYS 715 7.476 -0.357 3.867 672 HD3 LYS 715 HD1 LYS 715 7.806 1.239 4.546 673 HE2 LYS 715 HE2 LYS 715 9.066 -0.587 5.662 674 HE3 LYS 715 HE1 LYS 715 8.013 0.308 6.756 675 HZ1 LYS 715 HZ1 LYS 715 7.307 -2.293 5.505 676 HZ2 LYS 715 HZ2 LYS 715 6.414 -1.459 6.677 677 HZ3 LYS 715 HZ3 LYS 715 7.919 -2.119 7.074 678 H ALA 716 HN ALA 716 4.730 2.825 1.234 679 HA ALA 716 HA ALA 716 7.078 2.299 -0.229 680 HB1 ALA 716 HB1 ALA 716 5.842 3.189 -2.151 681 HB2 ALA 716 HB2 ALA 716 4.614 3.830 -1.061 682 HB3 ALA 716 HB3 ALA 716 4.843 2.089 -1.202 683 H GLU 717 HN GLU 717 5.533 5.323 0.823 684 HA GLU 717 HA GLU 717 7.385 6.999 -0.524 685 HB2 GLU 717 HB2 GLU 717 5.581 7.581 1.827 686 HB3 GLU 717 HB1 GLU 717 6.500 8.792 0.946 687 HG2 GLU 717 HG2 GLU 717 5.208 7.790 -1.114 688 HG3 GLU 717 HG1 GLU 717 4.069 7.294 0.140 689 H GLU 718 HN GLU 718 7.117 5.771 2.796 690 HA GLU 718 HA GLU 718 9.399 7.080 3.797 691 HB2 GLU 718 HB2 GLU 718 7.679 6.014 5.214 692 HB3 GLU 718 HB1 GLU 718 8.214 4.436 4.658 693 HG2 GLU 718 HG2 GLU 718 10.356 4.737 5.712 694 HG3 GLU 718 HG1 GLU 718 9.938 6.390 6.162 695 H ALA 719 HN ALA 719 8.986 3.964 2.161 696 HA ALA 719 HA ALA 719 11.586 3.003 2.416 697 HB1 ALA 719 HB1 ALA 719 9.749 1.659 1.521 698 HB2 ALA 719 HB2 ALA 719 11.137 1.655 0.433 699 HB3 ALA 719 HB3 ALA 719 9.730 2.652 0.064 700 H TRP 720 HN TRP 720 10.211 4.948 -0.243 701 HA TRP 720 HA TRP 720 12.741 5.211 -1.542 702 HB2 TRP 720 HB2 TRP 720 10.118 6.649 -1.928 703 HB3 TRP 720 HB1 TRP 720 11.545 6.988 -2.901 704 HD1 TRP 720 HD1 TRP 720 12.393 3.791 -3.105 705 HE1 TRP 720 HE1 TRP 720 11.106 2.351 -4.802 706 HE3 TRP 720 HE3 TRP 720 8.200 6.698 -3.666 707 HZ2 TRP 720 HZ2 TRP 720 8.667 2.427 -6.199 708 HZ3 TRP 720 HZ3 TRP 720 6.447 5.934 -5.205 709 HH2 TRP 720 HH2 TRP 720 6.674 3.843 -6.448 710 H ALA 721 HN ALA 721 11.050 7.167 0.828 711 HA ALA 721 HA ALA 721 12.723 9.462 0.465 712 HB1 ALA 721 HB1 ALA 721 10.463 9.662 1.369 713 HB2 ALA 721 HB2 ALA 721 11.662 10.340 2.469 714 HB3 ALA 721 HB3 ALA 721 10.953 8.759 2.801 715 H GLN 722 HN GLN 722 12.720 6.748 2.744 716 HA GLN 722 HA GLN 722 14.737 7.976 4.403 717 HB2 GLN 722 HB2 GLN 722 12.907 6.517 5.281 718 HB3 GLN 722 HB1 GLN 722 13.656 5.152 4.469 719 HG2 GLN 722 HG2 GLN 722 15.635 5.383 5.856 720 HG3 GLN 722 HG1 GLN 722 14.933 6.799 6.641 721 HE21 GLN 722 HE21 GLN 722 13.075 3.969 5.747 722 HE22 GLN 722 HE22 GLN 722 12.757 3.428 7.358 723 H MET 723 HN MET 723 14.612 4.946 2.510 724 HA MET 723 HA MET 723 16.285 3.585 1.737 725 HB2 MET 723 HB2 MET 723 17.358 6.297 0.936 726 HB3 MET 723 HB1 MET 723 17.944 4.768 0.298 727 HG2 MET 723 HG2 MET 723 15.789 4.314 -0.694 728 HG3 MET 723 HG1 MET 723 15.120 5.776 0.030 729 HE1 MET 723 HE1 MET 723 17.420 7.896 -0.346 730 HE2 MET 723 HE2 MET 723 15.724 8.215 -0.710 731 HE3 MET 723 HE3 MET 723 16.970 8.606 -1.895 732 H GLU 724 HN GLU 724 16.577 3.876 4.398 733 HA GLU 724 HA GLU 724 19.427 3.702 4.808 734 HB2 GLU 724 HB2 GLU 724 19.078 6.102 5.074 735 HB3 GLU 724 HB1 GLU 724 17.780 5.806 6.222 736 HG2 GLU 724 HG2 GLU 724 19.827 6.465 7.353 737 HG3 GLU 724 HG1 GLU 724 19.367 4.817 7.781 738 H GLU 725 HN GLU 725 19.713 1.990 6.052 739 HA GLU 725 HA GLU 725 18.172 1.502 8.403 740 HB2 GLU 725 HB2 GLU 725 16.605 0.728 6.649 741 HB3 GLU 725 HB1 GLU 725 17.835 -0.382 6.063 742 HG2 GLU 725 HG2 GLU 725 17.802 -1.498 8.280 743 HG3 GLU 725 HG1 GLU 725 16.447 -0.460 8.728 Start of MODEL 11 1 H1 GLY 623 HT1 GLY 623 -15.133 -9.294 14.473 2 H2 GLY 623 HT2 GLY 623 -15.276 -9.182 12.794 3 H3 GLY 623 HT3 GLY 623 -16.659 -9.129 13.762 4 HA2 GLY 623 HA1 GLY 623 -15.898 -7.047 14.751 5 HA3 GLY 623 HA2 GLY 623 -14.500 -7.098 13.688 6 H SER 624 HN SER 624 -15.123 -5.088 12.787 7 HA SER 624 HA SER 624 -17.692 -4.824 11.513 8 HB2 SER 624 HB2 SER 624 -15.281 -2.997 11.399 9 HB3 SER 624 HB1 SER 624 -16.922 -2.590 10.897 10 HG SER 624 HG SER 624 -16.896 -1.844 12.909 11 H HIS 625 HN HIS 625 -17.732 -6.427 9.935 12 HA HIS 625 HA HIS 625 -15.752 -6.535 7.848 13 HB2 HIS 625 HB2 HIS 625 -18.519 -7.752 8.045 14 HB3 HIS 625 HB1 HIS 625 -17.403 -8.047 6.718 15 HD1 HIS 625 HD1 HIS 625 -18.409 -9.354 9.931 16 HD2 HIS 625 HD2 HIS 625 -14.925 -9.363 7.663 17 HE1 HIS 625 HE1 HIS 625 -17.018 -11.244 10.832 18 HE2 HIS 625 HE2 HIS 625 -14.863 -11.146 9.537 19 H MET 626 HN MET 626 -15.648 -4.476 6.960 20 HA MET 626 HA MET 626 -17.940 -3.715 5.316 21 HB2 MET 626 HB2 MET 626 -17.767 -1.363 6.054 22 HB3 MET 626 HB1 MET 626 -18.259 -2.440 7.352 23 HG2 MET 626 HG2 MET 626 -16.018 -2.410 8.268 24 HG3 MET 626 HG1 MET 626 -15.455 -1.425 6.919 25 HE1 MET 626 HE1 MET 626 -14.882 -0.594 9.911 26 HE2 MET 626 HE2 MET 626 -15.266 1.126 9.853 27 HE3 MET 626 HE3 MET 626 -14.405 0.369 8.514 28 H SER 627 HN SER 627 -17.421 -2.674 3.447 29 HA SER 627 HA SER 627 -14.621 -1.871 3.072 30 HB2 SER 627 HB2 SER 627 -14.825 -2.667 0.690 31 HB3 SER 627 HB1 SER 627 -14.846 -3.961 1.886 32 HG SER 627 HG SER 627 -17.262 -3.675 1.707 33 HA PRO 628 HA PRO 628 -16.645 1.917 1.866 34 HB2 PRO 628 HB2 PRO 628 -14.419 3.255 1.093 35 HB3 PRO 628 HB1 PRO 628 -14.827 2.988 2.791 36 HG2 PRO 628 HG2 PRO 628 -12.894 1.515 1.049 37 HG3 PRO 628 HG1 PRO 628 -12.715 2.032 2.736 38 HD2 PRO 628 HD2 PRO 628 -13.353 -0.512 2.022 39 HD3 PRO 628 HD1 PRO 628 -13.881 0.228 3.543 40 H ASP 629 HN ASP 629 -17.228 0.108 0.061 41 HA ASP 629 HA ASP 629 -15.985 0.491 -2.488 42 HB2 ASP 629 HB2 ASP 629 -17.083 -1.628 -1.908 43 HB3 ASP 629 HB1 ASP 629 -18.632 -0.799 -1.788 44 H ARG 630 HN ARG 630 -18.954 1.650 -0.956 45 HA ARG 630 HA ARG 630 -19.691 3.234 -3.266 46 HB2 ARG 630 HB2 ARG 630 -20.843 3.183 -0.467 47 HB3 ARG 630 HB1 ARG 630 -21.545 4.026 -1.842 48 HG2 ARG 630 HG2 ARG 630 -21.814 1.868 -2.995 49 HG3 ARG 630 HG1 ARG 630 -21.177 1.052 -1.568 50 HD2 ARG 630 HD2 ARG 630 -23.663 2.752 -1.666 51 HD3 ARG 630 HD1 ARG 630 -23.621 0.994 -1.638 52 HE ARG 630 HE ARG 630 -22.449 2.523 0.580 53 HH11 ARG 630 HH11 ARG 630 -24.850 0.264 -0.620 54 HH12 ARG 630 HH12 ARG 630 -25.388 -0.198 0.962 55 HH21 ARG 630 HH21 ARG 630 -23.163 1.920 2.666 56 HH22 ARG 630 HH22 ARG 630 -24.429 0.743 2.837 57 H CYS 631 HN CYS 631 -17.139 3.624 -1.833 58 HA CYS 631 HA CYS 631 -17.354 6.508 -1.361 59 HB2 CYS 631 HB2 CYS 631 -15.618 4.589 0.214 60 HB3 CYS 631 HB1 CYS 631 -15.750 6.323 0.470 61 HG CYS 631 HG CYS 631 -18.666 5.873 0.955 62 H GLN 632 HN GLN 632 -15.945 7.622 -2.617 63 HA GLN 632 HA GLN 632 -13.701 6.107 -3.773 64 HB2 GLN 632 HB2 GLN 632 -15.444 8.167 -5.124 65 HB3 GLN 632 HB1 GLN 632 -13.975 7.503 -5.823 66 HG2 GLN 632 HG2 GLN 632 -14.957 5.281 -5.829 67 HG3 GLN 632 HG1 GLN 632 -16.417 5.910 -5.066 68 HE21 GLN 632 HE21 GLN 632 -14.523 5.799 -7.983 69 HE22 GLN 632 HE22 GLN 632 -15.761 6.378 -9.042 70 H ASP 633 HN ASP 633 -14.494 8.640 -1.792 71 HA ASP 633 HA ASP 633 -12.647 10.602 -2.740 72 HB2 ASP 633 HB2 ASP 633 -14.003 10.351 -0.051 73 HB3 ASP 633 HB1 ASP 633 -13.075 11.747 -0.583 74 H TRP 634 HN TRP 634 -12.394 7.828 -0.691 75 HA TRP 634 HA TRP 634 -10.058 8.699 0.682 76 HB2 TRP 634 HB2 TRP 634 -9.851 6.361 1.458 77 HB3 TRP 634 HB1 TRP 634 -11.445 7.038 1.744 78 HD1 TRP 634 HD1 TRP 634 -13.475 6.054 0.242 79 HE1 TRP 634 HE1 TRP 634 -13.756 3.780 -0.926 80 HE3 TRP 634 HE3 TRP 634 -8.591 4.530 0.247 81 HZ2 TRP 634 HZ2 TRP 634 -12.133 1.624 -1.722 82 HZ3 TRP 634 HZ3 TRP 634 -8.046 2.341 -0.735 83 HH2 TRP 634 HH2 TRP 634 -9.783 0.922 -1.698 84 H LEU 635 HN LEU 635 -10.631 7.230 -2.395 85 HA LEU 635 HA LEU 635 -7.965 6.301 -2.811 86 HB2 LEU 635 HB2 LEU 635 -10.121 7.081 -4.774 87 HB3 LEU 635 HB1 LEU 635 -8.562 6.443 -5.256 88 HG LEU 635 HG LEU 635 -9.211 4.434 -3.715 89 HD11 LEU 635 HD11 LEU 635 -11.624 4.003 -3.712 90 HD12 LEU 635 HD12 LEU 635 -11.899 5.621 -4.356 91 HD13 LEU 635 HD13 LEU 635 -11.196 5.421 -2.751 92 HD21 LEU 635 HD21 LEU 635 -8.871 4.309 -6.124 93 HD22 LEU 635 HD22 LEU 635 -10.511 4.897 -6.393 94 HD23 LEU 635 HD23 LEU 635 -10.250 3.330 -5.626 95 H GLU 636 HN GLU 636 -9.685 9.296 -3.458 96 HA GLU 636 HA GLU 636 -7.543 10.687 -4.653 97 HB2 GLU 636 HB2 GLU 636 -9.973 11.633 -3.136 98 HB3 GLU 636 HB1 GLU 636 -8.843 12.729 -3.922 99 HG2 GLU 636 HG2 GLU 636 -10.454 10.584 -5.284 100 HG3 GLU 636 HG1 GLU 636 -10.809 12.311 -5.294 101 H ALA 637 HN ALA 637 -8.710 10.481 -1.321 102 HA ALA 637 HA ALA 637 -6.835 12.099 -0.069 103 HB1 ALA 637 HB1 ALA 637 -8.825 11.108 1.020 104 HB2 ALA 637 HB2 ALA 637 -7.348 10.894 1.958 105 HB3 ALA 637 HB3 ALA 637 -8.005 9.547 1.029 106 H LEU 638 HN LEU 638 -6.674 8.665 -0.889 107 HA LEU 638 HA LEU 638 -4.133 8.119 0.142 108 HB2 LEU 638 HB2 LEU 638 -5.699 6.385 -0.557 109 HB3 LEU 638 HB1 LEU 638 -5.569 6.915 -2.221 110 HG LEU 638 HG LEU 638 -3.183 6.253 -2.225 111 HD11 LEU 638 HD11 LEU 638 -2.638 6.462 0.096 112 HD12 LEU 638 HD12 LEU 638 -2.399 4.782 -0.387 113 HD13 LEU 638 HD13 LEU 638 -3.834 5.240 0.532 114 HD21 LEU 638 HD21 LEU 638 -4.883 4.727 -3.061 115 HD22 LEU 638 HD22 LEU 638 -5.122 4.083 -1.438 116 HD23 LEU 638 HD23 LEU 638 -3.583 3.839 -2.266 117 H HIS 639 HN HIS 639 -5.139 9.359 -3.009 118 HA HIS 639 HA HIS 639 -2.657 9.208 -4.304 119 HB2 HIS 639 HB2 HIS 639 -4.779 9.645 -5.484 120 HB3 HIS 639 HB1 HIS 639 -4.872 11.231 -4.729 121 HD1 HIS 639 HD1 HIS 639 -4.260 12.986 -6.349 122 HD2 HIS 639 HD2 HIS 639 -2.042 9.515 -6.926 123 HE1 HIS 639 HE1 HIS 639 -2.687 13.492 -8.248 124 HE2 HIS 639 HE2 HIS 639 -1.447 11.336 -8.659 125 H TRP 640 HN TRP 640 -4.057 11.704 -2.240 126 HA TRP 640 HA TRP 640 -1.647 13.324 -2.529 127 HB2 TRP 640 HB2 TRP 640 -4.231 13.906 -1.067 128 HB3 TRP 640 HB1 TRP 640 -2.892 15.035 -1.254 129 HD1 TRP 640 HD1 TRP 640 -5.904 13.669 -3.055 130 HE1 TRP 640 HE1 TRP 640 -6.161 14.828 -5.337 131 HE3 TRP 640 HE3 TRP 640 -1.427 16.147 -3.220 132 HZ2 TRP 640 HZ2 TRP 640 -4.671 16.560 -6.982 133 HZ3 TRP 640 HZ3 TRP 640 -0.926 17.530 -5.192 134 HH2 TRP 640 HH2 TRP 640 -2.515 17.731 -7.030 135 H TYR 641 HN TYR 641 -2.274 10.720 -0.845 136 HA TYR 641 HA TYR 641 -1.292 11.629 1.746 137 HB2 TYR 641 HB2 TYR 641 -3.110 9.911 1.597 138 HB3 TYR 641 HB1 TYR 641 -1.962 8.819 0.832 139 HD1 TYR 641 HD1 TYR 641 -2.163 10.929 3.923 140 HD2 TYR 641 HD2 TYR 641 -1.015 7.230 2.170 141 HE1 TYR 641 HE1 TYR 641 -1.469 10.102 6.133 142 HE2 TYR 641 HE2 TYR 641 -0.322 6.393 4.372 143 HH TYR 641 HH TYR 641 0.425 7.362 6.558 144 H ASN 642 HN ASN 642 0.388 11.986 -0.502 145 HA ASN 642 HA ASN 642 2.408 9.928 -0.439 146 HB2 ASN 642 HB2 ASN 642 1.875 11.256 -2.505 147 HB3 ASN 642 HB1 ASN 642 2.552 12.675 -1.709 148 HD21 ASN 642 HD21 ASN 642 3.245 9.590 -3.163 149 HD22 ASN 642 HD22 ASN 642 4.962 9.801 -3.261 150 H THR 643 HN THR 643 2.924 9.932 1.770 151 HA THR 643 HA THR 643 4.919 11.867 2.528 152 HB THR 643 HB THR 643 3.019 13.112 3.279 153 HG1 THR 643 HG1 THR 643 3.638 11.933 5.729 154 HG21 THR 643 HG21 THR 643 2.083 10.602 4.667 155 HG22 THR 643 HG22 THR 643 1.338 11.358 3.259 156 HG23 THR 643 HG23 THR 643 1.335 12.192 4.812 157 H ALA 644 HN ALA 644 6.432 10.950 3.764 158 HA ALA 644 HA ALA 644 6.285 8.155 4.338 159 HB1 ALA 644 HB1 ALA 644 8.394 10.180 5.078 160 HB2 ALA 644 HB2 ALA 644 8.370 9.195 3.616 161 HB3 ALA 644 HB3 ALA 644 8.560 8.429 5.193 162 H LEU 645 HN LEU 645 6.080 11.115 6.210 163 HA LEU 645 HA LEU 645 5.492 9.537 8.614 164 HB2 LEU 645 HB2 LEU 645 6.082 12.486 8.332 165 HB3 LEU 645 HB1 LEU 645 5.763 11.657 9.843 166 HG LEU 645 HG LEU 645 8.138 11.189 8.039 167 HD11 LEU 645 HD11 LEU 645 7.925 12.479 10.753 168 HD12 LEU 645 HD12 LEU 645 8.249 13.307 9.231 169 HD13 LEU 645 HD13 LEU 645 9.421 12.159 9.879 170 HD21 LEU 645 HD21 LEU 645 7.408 9.947 10.688 171 HD22 LEU 645 HD22 LEU 645 8.959 9.764 9.868 172 HD23 LEU 645 HD23 LEU 645 7.492 9.128 9.128 173 H GLU 646 HN GLU 646 3.923 11.387 9.974 174 HA GLU 646 HA GLU 646 1.750 11.976 10.266 175 HB2 GLU 646 HB2 GLU 646 1.839 12.440 7.281 176 HB3 GLU 646 HB1 GLU 646 0.524 12.941 8.331 177 HG2 GLU 646 HG2 GLU 646 3.369 13.901 8.514 178 HG3 GLU 646 HG1 GLU 646 2.032 14.783 7.779 179 H MET 647 HN MET 647 1.819 9.509 10.605 180 HA MET 647 HA MET 647 0.562 7.861 8.636 181 HB2 MET 647 HB2 MET 647 2.129 6.911 10.255 182 HB3 MET 647 HB1 MET 647 1.067 7.373 11.577 183 HG2 MET 647 HG2 MET 647 -0.671 5.874 10.642 184 HG3 MET 647 HG1 MET 647 0.493 5.348 9.426 185 HE1 MET 647 HE1 MET 647 0.234 2.250 11.801 186 HE2 MET 647 HE2 MET 647 0.090 2.831 10.143 187 HE3 MET 647 HE3 MET 647 -1.068 3.356 11.365 188 H THR 648 HN THR 648 -1.508 7.981 8.133 189 HA THR 648 HA THR 648 -3.467 8.914 10.041 190 HB THR 648 HB THR 648 -3.701 9.529 7.652 191 HG1 THR 648 HG1 THR 648 -5.947 8.956 7.507 192 HG21 THR 648 HG21 THR 648 -2.873 7.500 6.598 193 HG22 THR 648 HG22 THR 648 -4.507 7.851 6.039 194 HG23 THR 648 HG23 THR 648 -4.239 6.586 7.238 195 H ASP 649 HN ASP 649 -4.862 7.695 11.179 196 HA ASP 649 HA ASP 649 -4.799 4.787 10.721 197 HB2 ASP 649 HB2 ASP 649 -5.058 4.407 13.071 198 HB3 ASP 649 HB1 ASP 649 -3.743 5.561 12.886 199 H CYS 650 HN CYS 650 -6.543 7.299 10.034 200 HA CYS 650 HA CYS 650 -9.107 6.553 11.133 201 HB2 CYS 650 HB2 CYS 650 -8.521 8.932 10.743 202 HB3 CYS 650 HB1 CYS 650 -8.442 8.612 9.014 203 HG CYS 650 HG CYS 650 -10.803 9.950 9.405 204 H ASP 651 HN ASP 651 -9.600 4.546 10.371 205 HA ASP 651 HA ASP 651 -9.661 4.100 7.479 206 HB2 ASP 651 HB2 ASP 651 -8.698 2.370 9.021 207 HB3 ASP 651 HB1 ASP 651 -10.301 2.159 9.708 208 H GLU 652 HN GLU 652 -11.559 3.608 6.368 209 HA GLU 652 HA GLU 652 -14.072 3.855 7.846 210 HB2 GLU 652 HB2 GLU 652 -14.987 5.344 6.107 211 HB3 GLU 652 HB1 GLU 652 -13.631 6.075 6.952 212 HG2 GLU 652 HG2 GLU 652 -12.165 5.600 5.094 213 HG3 GLU 652 HG1 GLU 652 -13.462 4.751 4.252 214 H GLY 653 HN GLY 653 -15.929 2.998 6.641 215 HA2 GLY 653 HA2 GLY 653 -15.387 1.417 4.286 216 HA3 GLY 653 HA1 GLY 653 -15.641 0.467 5.742 217 H GLY 654 HN GLY 654 -17.674 0.918 6.945 218 HA2 GLY 654 HA2 GLY 654 -19.902 2.014 6.718 219 HA3 GLY 654 HA1 GLY 654 -19.832 1.526 5.032 220 H GLU 655 HN GLU 655 -20.169 -0.621 4.479 221 HA GLU 655 HA GLU 655 -20.774 -2.571 6.513 222 HB2 GLU 655 HB2 GLU 655 -23.094 -2.910 5.786 223 HB3 GLU 655 HB1 GLU 655 -22.861 -1.285 6.419 224 HG2 GLU 655 HG2 GLU 655 -22.705 -0.426 4.131 225 HG3 GLU 655 HG1 GLU 655 -22.971 -2.054 3.511 226 H TYR 656 HN TYR 656 -20.682 -4.632 5.749 227 HA TYR 656 HA TYR 656 -20.241 -6.383 4.395 228 HB2 TYR 656 HB2 TYR 656 -22.192 -5.916 3.122 229 HB3 TYR 656 HB1 TYR 656 -21.431 -4.544 2.328 230 HD1 TYR 656 HD1 TYR 656 -21.010 -8.232 2.706 231 HD2 TYR 656 HD2 TYR 656 -20.591 -4.839 0.171 232 HE1 TYR 656 HE1 TYR 656 -20.351 -9.704 0.852 233 HE2 TYR 656 HE2 TYR 656 -19.931 -6.307 -1.691 234 HH TYR 656 HH TYR 656 -20.312 -9.693 -1.593 235 H ASP 657 HN ASP 657 -18.303 -7.075 3.895 236 HA ASP 657 HA ASP 657 -16.467 -5.238 2.525 237 HB2 ASP 657 HB2 ASP 657 -15.720 -5.875 4.768 238 HB3 ASP 657 HB1 ASP 657 -15.836 -7.578 4.333 239 H GLY 658 HN GLY 658 -16.013 -5.704 0.500 240 HA2 GLY 658 HA2 GLY 658 -16.965 -8.072 -0.758 241 HA3 GLY 658 HA1 GLY 658 -15.968 -6.832 -1.504 242 H MET 659 HN MET 659 -13.965 -7.220 0.716 243 HA MET 659 HA MET 659 -12.315 -9.109 -0.598 244 HB2 MET 659 HB2 MET 659 -11.241 -7.325 0.535 245 HB3 MET 659 HB1 MET 659 -12.110 -7.650 2.027 246 HG2 MET 659 HG2 MET 659 -10.872 -9.726 2.313 247 HG3 MET 659 HG1 MET 659 -10.012 -9.430 0.804 248 HE1 MET 659 HE1 MET 659 -7.507 -8.913 3.903 249 HE2 MET 659 HE2 MET 659 -7.936 -9.995 2.576 250 HE3 MET 659 HE3 MET 659 -8.978 -9.881 3.993 251 H GLN 660 HN GLN 660 -12.479 -11.237 -0.499 252 HA GLN 660 HA GLN 660 -14.046 -12.470 1.602 253 HB2 GLN 660 HB2 GLN 660 -12.752 -13.686 -0.843 254 HB3 GLN 660 HB1 GLN 660 -13.847 -14.518 0.252 255 HG2 GLN 660 HG2 GLN 660 -15.637 -12.987 -0.356 256 HG3 GLN 660 HG1 GLN 660 -14.540 -12.120 -1.428 257 HE21 GLN 660 HE21 GLN 660 -14.516 -15.600 -1.075 258 HE22 GLN 660 HE22 GLN 660 -15.116 -15.952 -2.659 259 H ASP 661 HN ASP 661 -12.018 -11.547 2.875 260 HA ASP 661 HA ASP 661 -10.595 -12.123 4.529 261 HB2 ASP 661 HB2 ASP 661 -11.889 -14.095 4.949 262 HB3 ASP 661 HB1 ASP 661 -11.134 -14.943 3.603 263 H GLU 662 HN GLU 662 -9.880 -13.665 1.436 264 HA GLU 662 HA GLU 662 -7.119 -14.113 2.052 265 HB2 GLU 662 HB2 GLU 662 -8.285 -15.555 0.478 266 HB3 GLU 662 HB1 GLU 662 -8.604 -14.186 -0.577 267 HG2 GLU 662 HG2 GLU 662 -6.181 -13.922 -0.923 268 HG3 GLU 662 HG1 GLU 662 -5.907 -15.355 0.067 269 HA PRO 663 HA PRO 663 -6.140 -9.867 0.893 270 HB2 PRO 663 HB2 PRO 663 -3.874 -9.648 2.299 271 HB3 PRO 663 HB1 PRO 663 -5.456 -9.594 3.085 272 HG2 PRO 663 HG2 PRO 663 -3.478 -11.824 2.966 273 HG3 PRO 663 HG1 PRO 663 -4.563 -11.348 4.288 274 HD2 PRO 663 HD2 PRO 663 -5.003 -13.426 2.457 275 HD3 PRO 663 HD1 PRO 663 -6.234 -12.692 3.510 276 H ARG 664 HN ARG 664 -5.431 -9.691 -1.168 277 HA ARG 664 HA ARG 664 -3.107 -11.102 -2.112 278 HB2 ARG 664 HB2 ARG 664 -4.864 -10.581 -3.692 279 HB3 ARG 664 HB1 ARG 664 -4.759 -8.871 -3.309 280 HG2 ARG 664 HG2 ARG 664 -2.579 -8.732 -4.327 281 HG3 ARG 664 HG1 ARG 664 -2.569 -10.473 -4.608 282 HD2 ARG 664 HD2 ARG 664 -3.145 -9.140 -6.625 283 HD3 ARG 664 HD1 ARG 664 -4.391 -10.297 -6.161 284 HE ARG 664 HE ARG 664 -5.367 -8.180 -4.989 285 HH11 ARG 664 HH11 ARG 664 -3.806 -8.324 -8.122 286 HH12 ARG 664 HH12 ARG 664 -4.720 -7.001 -8.770 287 HH21 ARG 664 HH21 ARG 664 -6.581 -6.460 -5.856 288 HH22 ARG 664 HH22 ARG 664 -6.294 -5.940 -7.487 289 H TYR 665 HN TYR 665 -3.853 -7.969 -0.811 290 HA TYR 665 HA TYR 665 -1.521 -6.624 -1.632 291 HB2 TYR 665 HB2 TYR 665 -2.151 -4.943 0.099 292 HB3 TYR 665 HB1 TYR 665 -3.445 -5.338 -1.027 293 HD1 TYR 665 HD1 TYR 665 -5.489 -6.321 -0.250 294 HD2 TYR 665 HD2 TYR 665 -2.246 -5.756 2.438 295 HE1 TYR 665 HE1 TYR 665 -6.974 -6.832 1.637 296 HE2 TYR 665 HE2 TYR 665 -3.730 -6.257 4.338 297 HH TYR 665 HH TYR 665 -6.908 -7.539 3.900 298 H MET 666 HN MET 666 -2.249 -8.559 1.203 299 HA MET 666 HA MET 666 0.067 -7.768 2.656 300 HB2 MET 666 HB2 MET 666 -1.908 -10.006 2.951 301 HB3 MET 666 HB1 MET 666 -0.434 -9.990 3.918 302 HG2 MET 666 HG2 MET 666 -1.043 -7.856 4.875 303 HG3 MET 666 HG1 MET 666 -2.474 -7.770 3.850 304 HE1 MET 666 HE1 MET 666 -4.035 -7.343 5.988 305 HE2 MET 666 HE2 MET 666 -2.572 -7.357 6.972 306 HE3 MET 666 HE3 MET 666 -3.960 -8.339 7.441 307 H MET 667 HN MET 667 -0.608 -10.191 0.252 308 HA MET 667 HA MET 667 1.786 -11.684 0.610 309 HB2 MET 667 HB2 MET 667 -0.136 -12.608 -0.603 310 HB3 MET 667 HB1 MET 667 0.020 -11.357 -1.826 311 HG2 MET 667 HG2 MET 667 2.214 -12.256 -2.452 312 HG3 MET 667 HG1 MET 667 2.028 -13.523 -1.243 313 HE1 MET 667 HE1 MET 667 -0.587 -13.130 -5.029 314 HE2 MET 667 HE2 MET 667 0.727 -12.029 -4.609 315 HE3 MET 667 HE3 MET 667 -0.756 -12.039 -3.655 316 H LEU 668 HN LEU 668 0.799 -9.123 -1.629 317 HA LEU 668 HA LEU 668 3.302 -8.787 -2.891 318 HB2 LEU 668 HB2 LEU 668 0.857 -7.087 -2.588 319 HB3 LEU 668 HB1 LEU 668 2.317 -6.362 -3.230 320 HG LEU 668 HG LEU 668 2.322 -7.934 -5.092 321 HD11 LEU 668 HD11 LEU 668 0.480 -9.478 -5.465 322 HD12 LEU 668 HD12 LEU 668 -0.217 -9.041 -3.906 323 HD13 LEU 668 HD13 LEU 668 1.338 -9.872 -3.976 324 HD21 LEU 668 HD21 LEU 668 -0.355 -6.617 -4.674 325 HD22 LEU 668 HD22 LEU 668 0.294 -7.161 -6.222 326 HD23 LEU 668 HD23 LEU 668 1.091 -5.859 -5.340 327 H ALA 669 HN ALA 669 1.985 -7.546 0.112 328 HA ALA 669 HA ALA 669 4.043 -5.564 0.455 329 HB1 ALA 669 HB1 ALA 669 2.059 -6.626 2.458 330 HB2 ALA 669 HB2 ALA 669 1.790 -5.249 1.392 331 HB3 ALA 669 HB3 ALA 669 3.046 -5.176 2.627 332 H ARG 670 HN ARG 670 3.423 -8.869 1.486 333 HA ARG 670 HA ARG 670 5.507 -9.109 3.357 334 HB2 ARG 670 HB2 ARG 670 3.737 -10.812 3.059 335 HB3 ARG 670 HB1 ARG 670 4.407 -11.216 1.485 336 HG2 ARG 670 HG2 ARG 670 6.520 -11.864 2.604 337 HG3 ARG 670 HG1 ARG 670 5.732 -11.591 4.158 338 HD2 ARG 670 HD2 ARG 670 4.050 -13.283 3.586 339 HD3 ARG 670 HD1 ARG 670 4.869 -13.564 2.051 340 HE ARG 670 HE ARG 670 6.452 -13.912 4.468 341 HH11 ARG 670 HH11 ARG 670 4.623 -15.408 1.887 342 HH12 ARG 670 HH12 ARG 670 5.305 -16.982 2.145 343 HH21 ARG 670 HH21 ARG 670 7.360 -15.972 4.803 344 HH22 ARG 670 HH22 ARG 670 6.876 -17.302 3.800 345 H GLU 671 HN GLU 671 5.382 -9.595 -0.151 346 HA GLU 671 HA GLU 671 8.087 -10.371 -0.432 347 HB2 GLU 671 HB2 GLU 671 6.316 -10.763 -2.131 348 HB3 GLU 671 HB1 GLU 671 6.281 -9.036 -2.455 349 HG2 GLU 671 HG2 GLU 671 8.439 -9.062 -3.376 350 HG3 GLU 671 HG1 GLU 671 8.772 -10.676 -2.753 351 H ALA 672 HN ALA 672 6.412 -7.262 -0.749 352 HA ALA 672 HA ALA 672 8.603 -5.634 -1.292 353 HB1 ALA 672 HB1 ALA 672 7.265 -3.804 -0.494 354 HB2 ALA 672 HB2 ALA 672 6.225 -4.903 0.409 355 HB3 ALA 672 HB3 ALA 672 6.223 -4.937 -1.353 356 H GLU 673 HN GLU 673 7.359 -6.797 1.797 357 HA GLU 673 HA GLU 673 9.079 -5.360 3.491 358 HB2 GLU 673 HB2 GLU 673 7.089 -6.431 4.344 359 HB3 GLU 673 HB1 GLU 673 7.668 -8.011 3.840 360 HG2 GLU 673 HG2 GLU 673 9.413 -7.950 5.490 361 HG3 GLU 673 HG1 GLU 673 8.985 -6.298 5.931 362 H MET 674 HN MET 674 9.358 -8.546 1.972 363 HA MET 674 HA MET 674 11.870 -9.181 3.137 364 HB2 MET 674 HB2 MET 674 10.565 -10.220 0.615 365 HB3 MET 674 HB1 MET 674 12.035 -10.883 1.315 366 HG2 MET 674 HG2 MET 674 10.720 -11.308 3.412 367 HG3 MET 674 HG1 MET 674 9.273 -10.879 2.499 368 HE1 MET 674 HE1 MET 674 9.229 -13.680 -0.264 369 HE2 MET 674 HE2 MET 674 9.902 -12.053 -0.368 370 HE3 MET 674 HE3 MET 674 8.346 -12.317 0.423 371 H LEU 675 HN LEU 675 10.916 -7.231 0.417 372 HA LEU 675 HA LEU 675 13.604 -7.045 -0.626 373 HB2 LEU 675 HB2 LEU 675 10.924 -6.009 -1.361 374 HB3 LEU 675 HB1 LEU 675 12.291 -5.018 -1.826 375 HG LEU 675 HG LEU 675 11.538 -6.507 -3.636 376 HD11 LEU 675 HD11 LEU 675 13.839 -5.791 -3.612 377 HD12 LEU 675 HD12 LEU 675 13.728 -7.448 -4.203 378 HD13 LEU 675 HD13 LEU 675 14.277 -7.136 -2.558 379 HD21 LEU 675 HD21 LEU 675 12.399 -8.747 -1.811 380 HD22 LEU 675 HD22 LEU 675 11.908 -8.911 -3.495 381 HD23 LEU 675 HD23 LEU 675 10.742 -8.375 -2.286 382 H PHE 676 HN PHE 676 11.717 -5.518 1.795 383 HA PHE 676 HA PHE 676 13.211 -3.039 1.711 384 HB2 PHE 676 HB2 PHE 676 10.804 -3.075 2.335 385 HB3 PHE 676 HB1 PHE 676 11.213 -4.009 3.773 386 HD1 PHE 676 HD1 PHE 676 11.164 -2.794 5.706 387 HD2 PHE 676 HD2 PHE 676 12.507 -0.896 2.138 388 HE1 PHE 676 HE1 PHE 676 11.552 -0.716 6.960 389 HE2 PHE 676 HE2 PHE 676 12.892 1.187 3.389 390 HZ PHE 676 HZ PHE 676 12.415 1.279 5.802 391 H THR 677 HN THR 677 12.737 -5.549 4.240 392 HA THR 677 HA THR 677 15.054 -4.501 5.633 393 HB THR 677 HB THR 677 14.439 -6.210 7.367 394 HG1 THR 677 HG1 THR 677 13.301 -7.760 6.325 395 HG21 THR 677 HG21 THR 677 12.451 -5.028 8.129 396 HG22 THR 677 HG22 THR 677 12.216 -4.356 6.517 397 HG23 THR 677 HG23 THR 677 13.624 -3.889 7.469 398 H GLY 678 HN GLY 678 14.460 -6.881 3.328 399 HA2 GLY 678 HA2 GLY 678 16.291 -8.093 2.355 400 HA3 GLY 678 HA1 GLY 678 17.049 -8.138 3.945 401 H GLY 679 HN GLY 679 16.120 -10.230 1.905 402 HA2 GLY 679 HA2 GLY 679 14.676 -11.868 3.883 403 HA3 GLY 679 HA1 GLY 679 14.181 -11.834 2.197 404 H TYR 680 HN TYR 680 14.753 -14.201 3.326 405 HA TYR 680 HA TYR 680 17.482 -14.962 2.808 406 HB2 TYR 680 HB2 TYR 680 15.073 -16.737 3.304 407 HB3 TYR 680 HB1 TYR 680 16.769 -17.211 3.420 408 HD1 TYR 680 HD1 TYR 680 18.165 -16.366 5.277 409 HD2 TYR 680 HD2 TYR 680 13.994 -15.557 5.085 410 HE1 TYR 680 HE1 TYR 680 18.190 -15.706 7.645 411 HE2 TYR 680 HE2 TYR 680 14.009 -14.899 7.454 412 HH TYR 680 HH TYR 680 16.833 -14.263 9.167 413 H GLY 681 HN GLY 681 17.640 -14.251 0.626 414 HA2 GLY 681 HA2 GLY 681 17.800 -15.462 -1.545 415 HA3 GLY 681 HA1 GLY 681 16.103 -15.878 -1.313 416 H LEU 682 HN LEU 682 16.066 -12.980 -0.080 417 HA LEU 682 HA LEU 682 15.632 -11.649 -2.661 418 HB2 LEU 682 HB2 LEU 682 14.263 -11.269 -0.005 419 HB3 LEU 682 HB1 LEU 682 14.141 -10.096 -1.297 420 HG LEU 682 HG LEU 682 12.163 -11.388 -1.365 421 HD11 LEU 682 HD11 LEU 682 13.957 -12.520 -3.500 422 HD12 LEU 682 HD12 LEU 682 13.205 -10.926 -3.547 423 HD13 LEU 682 HD13 LEU 682 12.201 -12.374 -3.551 424 HD21 LEU 682 HD21 LEU 682 12.106 -13.811 -1.486 425 HD22 LEU 682 HD22 LEU 682 12.918 -13.277 -0.016 426 HD23 LEU 682 HD23 LEU 682 13.865 -13.873 -1.381 427 H GLU 683 HN GLU 683 17.055 -10.144 -3.137 428 HA GLU 683 HA GLU 683 18.825 -9.046 -1.148 429 HB2 GLU 683 HB2 GLU 683 18.499 -8.538 -4.107 430 HB3 GLU 683 HB1 GLU 683 19.664 -7.676 -3.113 431 HG2 GLU 683 HG2 GLU 683 20.796 -9.742 -2.585 432 HG3 GLU 683 HG1 GLU 683 19.591 -10.662 -3.482 433 H LYS 684 HN LYS 684 18.455 -7.286 0.017 434 HA LYS 684 HA LYS 684 15.971 -5.963 -0.153 435 HB2 LYS 684 HB2 LYS 684 16.640 -4.706 1.735 436 HB3 LYS 684 HB1 LYS 684 17.358 -6.296 1.932 437 HG2 LYS 684 HG2 LYS 684 19.465 -5.252 0.898 438 HG3 LYS 684 HG1 LYS 684 18.694 -3.705 1.249 439 HD2 LYS 684 HD2 LYS 684 19.463 -5.869 3.201 440 HD3 LYS 684 HD1 LYS 684 20.122 -4.237 3.088 441 HE2 LYS 684 HE2 LYS 684 17.270 -4.905 3.814 442 HE3 LYS 684 HE1 LYS 684 18.541 -4.546 4.976 443 HZ1 LYS 684 HZ1 LYS 684 17.548 -2.686 2.888 444 HZ2 LYS 684 HZ2 LYS 684 18.744 -2.336 4.036 445 HZ3 LYS 684 HZ3 LYS 684 17.145 -2.629 4.534 446 H ASP 685 HN ASP 685 15.343 -4.113 -1.025 447 HA ASP 685 HA ASP 685 17.218 -2.189 -2.087 448 HB2 ASP 685 HB2 ASP 685 17.150 -3.840 -3.911 449 HB3 ASP 685 HB1 ASP 685 15.387 -3.725 -3.950 450 HA PRO 686 HA PRO 686 13.662 0.056 -0.406 451 HB2 PRO 686 HB2 PRO 686 15.288 2.282 -1.548 452 HB3 PRO 686 HB1 PRO 686 14.537 2.142 0.048 453 HG2 PRO 686 HG2 PRO 686 17.155 1.807 -0.234 454 HG3 PRO 686 HG1 PRO 686 16.224 0.768 0.863 455 HD2 PRO 686 HD2 PRO 686 17.319 0.155 -1.858 456 HD3 PRO 686 HD1 PRO 686 17.187 -0.898 -0.426 457 H GLN 687 HN GLN 687 15.023 0.425 -3.642 458 HA GLN 687 HA GLN 687 12.951 2.102 -4.638 459 HB2 GLN 687 HB2 GLN 687 15.262 1.907 -5.592 460 HB3 GLN 687 HB1 GLN 687 14.819 0.325 -6.210 461 HG2 GLN 687 HG2 GLN 687 14.706 2.081 -7.915 462 HG3 GLN 687 HG1 GLN 687 13.151 1.297 -7.643 463 HE21 GLN 687 HE21 GLN 687 11.461 2.463 -6.843 464 HE22 GLN 687 HE22 GLN 687 11.509 4.178 -6.609 465 H ARG 688 HN ARG 688 13.683 -1.363 -5.149 466 HA ARG 688 HA ARG 688 11.254 -1.882 -6.537 467 HB2 ARG 688 HB2 ARG 688 13.296 -3.302 -6.723 468 HB3 ARG 688 HB1 ARG 688 13.039 -3.835 -5.067 469 HG2 ARG 688 HG2 ARG 688 10.862 -4.773 -5.732 470 HG3 ARG 688 HG1 ARG 688 11.196 -4.305 -7.398 471 HD2 ARG 688 HD2 ARG 688 12.840 -6.206 -5.734 472 HD3 ARG 688 HD1 ARG 688 11.698 -6.667 -6.994 473 HE ARG 688 HE ARG 688 13.606 -4.886 -8.059 474 HH11 ARG 688 HH11 ARG 688 13.313 -8.179 -6.910 475 HH12 ARG 688 HH12 ARG 688 14.577 -8.783 -7.930 476 HH21 ARG 688 HH21 ARG 688 15.277 -5.673 -9.395 477 HH22 ARG 688 HH22 ARG 688 15.700 -7.355 -9.343 478 H SER 689 HN SER 689 12.258 -1.985 -3.188 479 HA SER 689 HA SER 689 10.117 -3.322 -2.039 480 HB2 SER 689 HB2 SER 689 12.150 -2.544 -0.814 481 HB3 SER 689 HB1 SER 689 11.525 -0.896 -0.898 482 HG SER 689 HG SER 689 10.377 -3.120 0.441 483 H GLY 690 HN GLY 690 10.395 0.166 -2.916 484 HA2 GLY 690 HA2 GLY 690 7.804 0.798 -1.946 485 HA3 GLY 690 HA1 GLY 690 8.812 1.787 -3.003 486 H ASP 691 HN ASP 691 9.091 -0.307 -5.026 487 HA ASP 691 HA ASP 691 6.808 0.249 -6.614 488 HB2 ASP 691 HB2 ASP 691 9.032 -0.436 -7.540 489 HB3 ASP 691 HB1 ASP 691 8.749 -2.064 -6.927 490 H LEU 692 HN LEU 692 7.763 -2.578 -4.709 491 HA LEU 692 HA LEU 692 5.427 -4.076 -5.332 492 HB2 LEU 692 HB2 LEU 692 7.504 -4.349 -3.173 493 HB3 LEU 692 HB1 LEU 692 6.179 -5.478 -3.374 494 HG LEU 692 HG LEU 692 8.119 -4.908 -5.600 495 HD11 LEU 692 HD11 LEU 692 9.431 -5.678 -3.709 496 HD12 LEU 692 HD12 LEU 692 9.299 -6.958 -4.917 497 HD13 LEU 692 HD13 LEU 692 8.314 -7.019 -3.456 498 HD21 LEU 692 HD21 LEU 692 7.351 -7.098 -6.381 499 HD22 LEU 692 HD22 LEU 692 6.011 -5.964 -6.211 500 HD23 LEU 692 HD23 LEU 692 6.272 -7.211 -4.990 501 H TYR 693 HN TYR 693 6.304 -1.873 -2.705 502 HA TYR 693 HA TYR 693 3.987 -2.418 -1.153 503 HB2 TYR 693 HB2 TYR 693 6.098 -0.320 -1.095 504 HB3 TYR 693 HB1 TYR 693 4.568 0.045 -0.289 505 HD1 TYR 693 HD1 TYR 693 3.679 -2.072 1.158 506 HD2 TYR 693 HD2 TYR 693 7.751 -1.193 0.290 507 HE1 TYR 693 HE1 TYR 693 4.372 -3.360 3.133 508 HE2 TYR 693 HE2 TYR 693 8.455 -2.483 2.262 509 HH TYR 693 HH TYR 693 6.294 -4.520 3.993 510 H THR 694 HN THR 694 4.635 -0.159 -3.786 511 HA THR 694 HA THR 694 2.118 1.182 -3.479 512 HB THR 694 HB THR 694 2.566 1.951 -5.894 513 HG1 THR 694 HG1 THR 694 5.192 1.013 -5.351 514 HG21 THR 694 HG21 THR 694 3.022 3.328 -3.911 515 HG22 THR 694 HG22 THR 694 4.227 3.581 -5.172 516 HG23 THR 694 HG23 THR 694 4.615 2.586 -3.767 517 H GLN 695 HN GLN 695 3.296 -1.599 -5.275 518 HA GLN 695 HA GLN 695 0.921 -2.130 -6.719 519 HB2 GLN 695 HB2 GLN 695 3.080 -3.971 -5.671 520 HB3 GLN 695 HB1 GLN 695 1.760 -4.514 -6.694 521 HG2 GLN 695 HG2 GLN 695 3.819 -2.451 -7.443 522 HG3 GLN 695 HG1 GLN 695 3.816 -4.144 -7.945 523 HE21 GLN 695 HE21 GLN 695 3.655 -1.654 -9.534 524 HE22 GLN 695 HE22 GLN 695 2.225 -1.823 -10.490 525 H ALA 696 HN ALA 696 2.084 -3.122 -3.523 526 HA ALA 696 HA ALA 696 -0.105 -4.673 -2.774 527 HB1 ALA 696 HB1 ALA 696 2.019 -4.660 -1.559 528 HB2 ALA 696 HB2 ALA 696 0.649 -4.371 -0.487 529 HB3 ALA 696 HB3 ALA 696 1.678 -3.028 -0.986 530 H ALA 697 HN ALA 697 0.423 -1.139 -2.487 531 HA ALA 697 HA ALA 697 -1.933 -0.659 -1.001 532 HB1 ALA 697 HB1 ALA 697 -0.480 1.224 -2.856 533 HB2 ALA 697 HB2 ALA 697 -0.042 0.935 -1.173 534 HB3 ALA 697 HB3 ALA 697 -1.598 1.665 -1.567 535 H GLU 698 HN GLU 698 -1.187 -0.795 -4.436 536 HA GLU 698 HA GLU 698 -3.661 0.080 -5.427 537 HB2 GLU 698 HB2 GLU 698 -1.506 -0.265 -6.710 538 HB3 GLU 698 HB1 GLU 698 -1.837 -1.987 -6.674 539 HG2 GLU 698 HG2 GLU 698 -3.970 -0.253 -7.757 540 HG3 GLU 698 HG1 GLU 698 -2.498 -0.394 -8.710 541 H ALA 699 HN ALA 699 -2.470 -3.150 -4.552 542 HA ALA 699 HA ALA 699 -4.882 -4.513 -5.187 543 HB1 ALA 699 HB1 ALA 699 -2.728 -5.661 -5.042 544 HB2 ALA 699 HB2 ALA 699 -3.911 -6.382 -3.953 545 HB3 ALA 699 HB3 ALA 699 -2.660 -5.316 -3.314 546 H ALA 700 HN ALA 700 -3.722 -2.799 -2.400 547 HA ALA 700 HA ALA 700 -5.599 -3.835 -0.522 548 HB1 ALA 700 HB1 ALA 700 -4.111 -1.220 -0.413 549 HB2 ALA 700 HB2 ALA 700 -3.494 -2.767 0.161 550 HB3 ALA 700 HB3 ALA 700 -4.900 -2.039 0.934 551 H MET 701 HN MET 701 -5.497 -0.863 -2.477 552 HA MET 701 HA MET 701 -8.034 0.024 -1.547 553 HB2 MET 701 HB2 MET 701 -7.909 1.738 -3.217 554 HB3 MET 701 HB1 MET 701 -6.305 1.530 -2.531 555 HG2 MET 701 HG2 MET 701 -5.600 0.280 -4.466 556 HG3 MET 701 HG1 MET 701 -7.224 0.364 -5.146 557 HE1 MET 701 HE1 MET 701 -6.287 1.269 -7.392 558 HE2 MET 701 HE2 MET 701 -4.627 1.262 -6.799 559 HE3 MET 701 HE3 MET 701 -5.284 2.708 -7.560 560 H GLU 702 HN GLU 702 -6.996 -2.127 -4.090 561 HA GLU 702 HA GLU 702 -9.533 -2.242 -5.413 562 HB2 GLU 702 HB2 GLU 702 -7.086 -3.977 -5.437 563 HB3 GLU 702 HB1 GLU 702 -8.556 -4.483 -6.259 564 HG2 GLU 702 HG2 GLU 702 -7.079 -1.914 -6.776 565 HG3 GLU 702 HG1 GLU 702 -6.956 -3.376 -7.755 566 H ALA 703 HN ALA 703 -8.154 -3.757 -2.622 567 HA ALA 703 HA ALA 703 -10.435 -5.558 -2.350 568 HB1 ALA 703 HB1 ALA 703 -8.024 -5.170 -0.578 569 HB2 ALA 703 HB2 ALA 703 -8.240 -6.443 -1.780 570 HB3 ALA 703 HB3 ALA 703 -9.277 -6.391 -0.354 571 H MET 704 HN MET 704 -10.193 -2.471 -2.072 572 HA MET 704 HA MET 704 -11.103 -0.781 -0.896 573 HB2 MET 704 HB2 MET 704 -13.031 -3.019 -0.345 574 HB3 MET 704 HB1 MET 704 -13.295 -1.406 0.302 575 HG2 MET 704 HG2 MET 704 -14.545 -1.626 -1.712 576 HG3 MET 704 HG1 MET 704 -13.212 -0.514 -2.006 577 HE1 MET 704 HE1 MET 704 -13.387 -2.105 -5.507 578 HE2 MET 704 HE2 MET 704 -13.192 -0.619 -4.578 579 HE3 MET 704 HE3 MET 704 -14.694 -1.535 -4.470 580 H LYS 705 HN LYS 705 -8.950 -1.946 0.354 581 HA LYS 705 HA LYS 705 -9.633 -1.672 3.208 582 HB2 LYS 705 HB2 LYS 705 -7.177 -2.828 1.868 583 HB3 LYS 705 HB1 LYS 705 -7.357 -2.622 3.601 584 HG2 LYS 705 HG2 LYS 705 -9.176 -4.327 1.922 585 HG3 LYS 705 HG1 LYS 705 -7.757 -4.933 2.775 586 HD2 LYS 705 HD2 LYS 705 -9.173 -5.309 4.472 587 HD3 LYS 705 HD1 LYS 705 -9.067 -3.572 4.751 588 HE2 LYS 705 HE2 LYS 705 -11.387 -4.310 4.708 589 HE3 LYS 705 HE1 LYS 705 -11.050 -3.229 3.358 590 HZ1 LYS 705 HZ1 LYS 705 -12.381 -5.255 2.800 591 HZ2 LYS 705 HZ2 LYS 705 -10.998 -6.182 3.123 592 HZ3 LYS 705 HZ3 LYS 705 -10.980 -5.045 1.868 593 H GLY 706 HN GLY 706 -9.831 0.608 2.988 594 HA2 GLY 706 HA2 GLY 706 -8.060 2.339 1.742 595 HA3 GLY 706 HA1 GLY 706 -9.111 2.775 3.078 596 H ARG 707 HN ARG 707 -8.171 1.700 5.268 597 HA ARG 707 HA ARG 707 -5.960 3.215 5.969 598 HB2 ARG 707 HB2 ARG 707 -7.484 2.239 7.605 599 HB3 ARG 707 HB1 ARG 707 -6.903 0.628 7.219 600 HG2 ARG 707 HG2 ARG 707 -4.702 1.198 8.073 601 HG3 ARG 707 HG1 ARG 707 -5.247 2.840 8.417 602 HD2 ARG 707 HD2 ARG 707 -6.867 1.986 10.016 603 HD3 ARG 707 HD1 ARG 707 -6.392 0.330 9.636 604 HE ARG 707 HE ARG 707 -4.073 1.234 10.426 605 HH11 ARG 707 HH11 ARG 707 -7.222 1.925 11.818 606 HH12 ARG 707 HH12 ARG 707 -6.595 2.190 13.413 607 HH21 ARG 707 HH21 ARG 707 -3.259 1.563 12.534 608 HH22 ARG 707 HH22 ARG 707 -4.344 1.980 13.821 609 H LEU 708 HN LEU 708 -6.054 -0.142 4.877 610 HA LEU 708 HA LEU 708 -3.318 -0.697 5.309 611 HB2 LEU 708 HB2 LEU 708 -5.417 -1.939 3.556 612 HB3 LEU 708 HB1 LEU 708 -3.757 -2.488 3.498 613 HG LEU 708 HG LEU 708 -5.072 -3.953 4.907 614 HD11 LEU 708 HD11 LEU 708 -3.226 -2.259 6.577 615 HD12 LEU 708 HD12 LEU 708 -2.728 -3.556 5.492 616 HD13 LEU 708 HD13 LEU 708 -3.716 -3.921 6.905 617 HD21 LEU 708 HD21 LEU 708 -6.049 -3.143 7.022 618 HD22 LEU 708 HD22 LEU 708 -6.830 -2.448 5.603 619 HD23 LEU 708 HD23 LEU 708 -5.682 -1.488 6.535 620 H ALA 709 HN ALA 709 -5.121 0.314 2.431 621 HA ALA 709 HA ALA 709 -2.990 0.458 0.643 622 HB1 ALA 709 HB1 ALA 709 -5.433 2.219 0.727 623 HB2 ALA 709 HB2 ALA 709 -5.334 0.631 -0.034 624 HB3 ALA 709 HB3 ALA 709 -4.375 1.972 -0.663 625 H ASN 710 HN ASN 710 -4.249 2.892 2.887 626 HA ASN 710 HA ASN 710 -2.487 4.962 2.166 627 HB2 ASN 710 HB2 ASN 710 -4.008 4.381 4.699 628 HB3 ASN 710 HB1 ASN 710 -2.927 5.760 4.582 629 HD21 ASN 710 HD21 ASN 710 -3.459 7.461 3.143 630 HD22 ASN 710 HD22 ASN 710 -5.074 7.671 2.565 631 H GLN 711 HN GLN 711 -2.253 2.551 4.782 632 HA GLN 711 HA GLN 711 0.210 3.397 5.784 633 HB2 GLN 711 HB2 GLN 711 -1.125 0.700 5.820 634 HB3 GLN 711 HB1 GLN 711 0.410 0.998 6.616 635 HG2 GLN 711 HG2 GLN 711 -0.632 2.718 7.999 636 HG3 GLN 711 HG1 GLN 711 -2.174 2.429 7.200 637 HE21 GLN 711 HE21 GLN 711 0.056 -0.143 8.019 638 HE22 GLN 711 HE22 GLN 711 -0.914 -0.841 9.263 639 H TYR 712 HN TYR 712 -0.404 0.751 3.458 640 HA TYR 712 HA TYR 712 2.283 0.166 2.968 641 HB2 TYR 712 HB2 TYR 712 -0.077 -0.131 1.105 642 HB3 TYR 712 HB1 TYR 712 1.527 -0.804 0.794 643 HD1 TYR 712 HD1 TYR 712 2.340 -1.926 3.336 644 HD2 TYR 712 HD2 TYR 712 -1.505 -1.863 1.540 645 HE1 TYR 712 HE1 TYR 712 1.727 -3.955 4.588 646 HE2 TYR 712 HE2 TYR 712 -2.135 -3.879 2.784 647 HH TYR 712 HH TYR 712 -0.244 -5.130 5.348 648 H TYR 713 HN TYR 713 0.221 2.648 1.502 649 HA TYR 713 HA TYR 713 2.107 3.382 -0.510 650 HB2 TYR 713 HB2 TYR 713 -0.346 3.977 -0.538 651 HB3 TYR 713 HB1 TYR 713 -0.016 5.157 0.726 652 HD1 TYR 713 HD1 TYR 713 0.327 7.342 0.071 653 HD2 TYR 713 HD2 TYR 713 1.277 4.214 -2.651 654 HE1 TYR 713 HE1 TYR 713 0.915 9.011 -1.635 655 HE2 TYR 713 HE2 TYR 713 1.867 5.876 -4.365 656 HH TYR 713 HH TYR 713 1.496 8.153 -4.928 657 H GLN 714 HN GLN 714 1.474 4.474 2.788 658 HA GLN 714 HA GLN 714 3.417 6.538 2.826 659 HB2 GLN 714 HB2 GLN 714 1.734 6.554 4.517 660 HB3 GLN 714 HB1 GLN 714 2.132 4.917 5.021 661 HG2 GLN 714 HG2 GLN 714 4.202 5.635 5.961 662 HG3 GLN 714 HG1 GLN 714 4.012 7.248 5.274 663 HE21 GLN 714 HE21 GLN 714 2.581 8.676 6.195 664 HE22 GLN 714 HE22 GLN 714 1.930 8.442 7.780 665 H LYS 715 HN LYS 715 3.631 3.108 3.006 666 HA LYS 715 HA LYS 715 6.208 3.157 4.351 667 HB2 LYS 715 HB2 LYS 715 4.747 1.293 4.915 668 HB3 LYS 715 HB1 LYS 715 4.571 0.876 3.215 669 HG2 LYS 715 HG2 LYS 715 6.067 -0.669 4.320 670 HG3 LYS 715 HG1 LYS 715 6.924 0.269 3.101 671 HD2 LYS 715 HD2 LYS 715 8.324 0.078 5.032 672 HD3 LYS 715 HD1 LYS 715 7.780 1.749 4.914 673 HE2 LYS 715 HE2 LYS 715 6.247 -0.182 6.602 674 HE3 LYS 715 HE1 LYS 715 7.760 0.480 7.215 675 HZ1 LYS 715 HZ1 LYS 715 5.453 2.103 6.290 676 HZ2 LYS 715 HZ2 LYS 715 6.879 2.695 6.987 677 HZ3 LYS 715 HZ3 LYS 715 5.807 1.757 7.904 678 H ALA 716 HN ALA 716 4.772 2.791 1.192 679 HA ALA 716 HA ALA 716 7.095 2.184 -0.269 680 HB1 ALA 716 HB1 ALA 716 4.874 2.005 -1.250 681 HB2 ALA 716 HB2 ALA 716 5.868 3.109 -2.200 682 HB3 ALA 716 HB3 ALA 716 4.648 3.746 -1.099 683 H GLU 717 HN GLU 717 5.548 5.306 0.504 684 HA GLU 717 HA GLU 717 7.567 6.885 -0.658 685 HB2 GLU 717 HB2 GLU 717 5.335 7.766 -0.126 686 HB3 GLU 717 HB1 GLU 717 5.668 7.578 1.590 687 HG2 GLU 717 HG2 GLU 717 5.910 9.896 0.833 688 HG3 GLU 717 HG1 GLU 717 7.414 9.239 1.475 689 H GLU 718 HN GLU 718 7.116 5.617 2.622 690 HA GLU 718 HA GLU 718 9.299 6.854 3.848 691 HB2 GLU 718 HB2 GLU 718 7.579 5.521 5.042 692 HB3 GLU 718 HB1 GLU 718 8.262 4.060 4.347 693 HG2 GLU 718 HG2 GLU 718 10.424 4.650 5.479 694 HG3 GLU 718 HG1 GLU 718 9.544 5.928 6.319 695 H ALA 719 HN ALA 719 9.114 3.796 2.063 696 HA ALA 719 HA ALA 719 11.751 2.965 2.372 697 HB1 ALA 719 HB1 ALA 719 10.004 1.539 1.434 698 HB2 ALA 719 HB2 ALA 719 11.401 1.617 0.361 699 HB3 ALA 719 HB3 ALA 719 9.949 2.545 -0.013 700 H TRP 720 HN TRP 720 10.315 4.989 -0.181 701 HA TRP 720 HA TRP 720 12.826 5.359 -1.512 702 HB2 TRP 720 HB2 TRP 720 10.199 6.822 -1.816 703 HB3 TRP 720 HB1 TRP 720 11.599 7.066 -2.854 704 HD1 TRP 720 HD1 TRP 720 12.231 3.779 -2.893 705 HE1 TRP 720 HE1 TRP 720 10.828 2.368 -4.523 706 HE3 TRP 720 HE3 TRP 720 8.301 6.995 -3.606 707 HZ2 TRP 720 HZ2 TRP 720 8.402 2.587 -5.931 708 HZ3 TRP 720 HZ3 TRP 720 6.486 6.311 -5.111 709 HH2 TRP 720 HH2 TRP 720 6.534 4.152 -6.252 710 H ALA 721 HN ALA 721 11.015 7.214 0.877 711 HA ALA 721 HA ALA 721 12.594 9.572 0.607 712 HB1 ALA 721 HB1 ALA 721 11.467 10.334 2.623 713 HB2 ALA 721 HB2 ALA 721 10.835 8.711 2.900 714 HB3 ALA 721 HB3 ALA 721 10.314 9.632 1.488 715 H GLN 722 HN GLN 722 12.779 6.711 2.643 716 HA GLN 722 HA GLN 722 14.843 7.876 4.299 717 HB2 GLN 722 HB2 GLN 722 13.190 6.319 5.241 718 HB3 GLN 722 HB1 GLN 722 13.776 5.052 4.175 719 HG2 GLN 722 HG2 GLN 722 15.949 5.120 5.273 720 HG3 GLN 722 HG1 GLN 722 15.369 6.398 6.342 721 HE21 GLN 722 HE21 GLN 722 13.363 3.717 5.334 722 HE22 GLN 722 HE22 GLN 722 13.301 2.936 6.874 723 H MET 723 HN MET 723 14.693 5.027 2.143 724 HA MET 723 HA MET 723 16.398 3.697 1.348 725 HB2 MET 723 HB2 MET 723 17.156 6.442 0.345 726 HB3 MET 723 HB1 MET 723 17.865 4.951 -0.258 727 HG2 MET 723 HG2 MET 723 15.591 4.210 -0.922 728 HG3 MET 723 HG1 MET 723 14.986 5.795 -0.444 729 HE1 MET 723 HE1 MET 723 17.433 7.672 -1.372 730 HE2 MET 723 HE2 MET 723 15.723 8.052 -1.583 731 HE3 MET 723 HE3 MET 723 16.825 8.157 -2.955 732 H GLU 724 HN GLU 724 16.965 4.067 3.957 733 HA GLU 724 HA GLU 724 19.877 4.310 3.978 734 HB2 GLU 724 HB2 GLU 724 17.946 5.839 5.692 735 HB3 GLU 724 HB1 GLU 724 19.553 5.455 6.290 736 HG2 GLU 724 HG2 GLU 724 19.010 6.947 3.738 737 HG3 GLU 724 HG1 GLU 724 19.337 7.713 5.290 738 H GLU 725 HN GLU 725 19.396 1.928 3.947 739 HA GLU 725 HA GLU 725 19.671 1.021 6.685 740 HB2 GLU 725 HB2 GLU 725 17.212 0.826 6.094 741 HB3 GLU 725 HB1 GLU 725 17.680 -0.355 4.875 742 HG2 GLU 725 HG2 GLU 725 18.705 -1.726 6.657 743 HG3 GLU 725 HG1 GLU 725 18.101 -0.576 7.846 Start of MODEL 12 1 H1 GLY 623 HT1 GLY 623 -24.337 -1.646 6.477 2 H2 GLY 623 HT2 GLY 623 -23.547 -0.468 7.393 3 H3 GLY 623 HT3 GLY 623 -25.045 -1.064 7.899 4 HA2 GLY 623 HA1 GLY 623 -24.084 -3.257 8.239 5 HA3 GLY 623 HA2 GLY 623 -22.525 -2.619 7.737 6 H SER 624 HN SER 624 -22.460 -3.737 10.120 7 HA SER 624 HA SER 624 -22.528 -1.452 11.966 8 HB2 SER 624 HB2 SER 624 -24.397 -3.134 12.344 9 HB3 SER 624 HB1 SER 624 -23.146 -4.278 12.824 10 HG SER 624 HG SER 624 -22.952 -3.288 14.670 11 H HIS 625 HN HIS 625 -20.946 -4.477 11.012 12 HA HIS 625 HA HIS 625 -18.959 -4.137 13.100 13 HB2 HIS 625 HB2 HIS 625 -17.961 -6.221 12.343 14 HB3 HIS 625 HB1 HIS 625 -19.690 -6.418 12.561 15 HD1 HIS 625 HD1 HIS 625 -17.131 -6.046 9.787 16 HD2 HIS 625 HD2 HIS 625 -20.998 -7.444 10.394 17 HE1 HIS 625 HE1 HIS 625 -17.761 -7.236 7.665 18 HE2 HIS 625 HE2 HIS 625 -20.056 -8.173 8.097 19 H MET 626 HN MET 626 -19.109 -2.019 11.290 20 HA MET 626 HA MET 626 -17.701 -0.519 10.366 21 HB2 MET 626 HB2 MET 626 -15.596 -2.431 11.374 22 HB3 MET 626 HB1 MET 626 -15.256 -0.829 10.731 23 HG2 MET 626 HG2 MET 626 -16.536 0.194 12.505 24 HG3 MET 626 HG1 MET 626 -17.006 -1.388 13.117 25 HE1 MET 626 HE1 MET 626 -15.320 -3.106 14.216 26 HE2 MET 626 HE2 MET 626 -13.597 -2.798 14.432 27 HE3 MET 626 HE3 MET 626 -14.257 -3.023 12.812 28 H SER 627 HN SER 627 -18.813 -1.543 8.431 29 HA SER 627 HA SER 627 -16.910 -2.729 6.572 30 HB2 SER 627 HB2 SER 627 -19.840 -2.030 6.238 31 HB3 SER 627 HB1 SER 627 -18.851 -2.862 5.040 32 HG SER 627 HG SER 627 -19.606 -4.555 6.053 33 HA PRO 628 HA PRO 628 -15.894 1.227 4.854 34 HB2 PRO 628 HB2 PRO 628 -14.872 0.426 2.482 35 HB3 PRO 628 HB1 PRO 628 -14.023 0.179 4.012 36 HG2 PRO 628 HG2 PRO 628 -15.667 -1.752 2.423 37 HG3 PRO 628 HG1 PRO 628 -14.111 -2.010 3.233 38 HD2 PRO 628 HD2 PRO 628 -16.481 -2.791 4.305 39 HD3 PRO 628 HD1 PRO 628 -15.089 -2.303 5.294 40 H ASP 629 HN ASP 629 -18.378 1.448 4.771 41 HA ASP 629 HA ASP 629 -19.546 1.288 2.137 42 HB2 ASP 629 HB2 ASP 629 -21.502 2.351 3.133 43 HB3 ASP 629 HB1 ASP 629 -20.938 1.055 4.181 44 H ARG 630 HN ARG 630 -17.966 3.667 4.121 45 HA ARG 630 HA ARG 630 -18.244 5.670 1.992 46 HB2 ARG 630 HB2 ARG 630 -18.907 6.460 4.211 47 HB3 ARG 630 HB1 ARG 630 -17.359 5.962 4.874 48 HG2 ARG 630 HG2 ARG 630 -16.250 7.602 3.382 49 HG3 ARG 630 HG1 ARG 630 -17.846 8.162 2.879 50 HD2 ARG 630 HD2 ARG 630 -18.317 9.079 4.949 51 HD3 ARG 630 HD1 ARG 630 -17.148 8.053 5.779 52 HE ARG 630 HE ARG 630 -15.569 9.546 4.181 53 HH11 ARG 630 HH11 ARG 630 -18.143 10.424 6.395 54 HH12 ARG 630 HH12 ARG 630 -17.409 11.925 6.851 55 HH21 ARG 630 HH21 ARG 630 -14.608 11.516 4.766 56 HH22 ARG 630 HH22 ARG 630 -15.394 12.552 5.920 57 H CYS 631 HN CYS 631 -16.743 4.197 0.823 58 HA CYS 631 HA CYS 631 -13.963 4.461 1.709 59 HB2 CYS 631 HB2 CYS 631 -13.552 2.706 -0.075 60 HB3 CYS 631 HB1 CYS 631 -14.508 2.187 1.308 61 HG CYS 631 HG CYS 631 -15.472 1.055 -1.108 62 H GLN 632 HN GLN 632 -14.847 6.790 0.869 63 HA GLN 632 HA GLN 632 -13.944 7.041 -1.918 64 HB2 GLN 632 HB2 GLN 632 -15.343 9.056 -2.078 65 HB3 GLN 632 HB1 GLN 632 -16.291 7.628 -1.686 66 HG2 GLN 632 HG2 GLN 632 -16.507 8.296 0.587 67 HG3 GLN 632 HG1 GLN 632 -15.335 9.596 0.375 68 HE21 GLN 632 HE21 GLN 632 -18.585 8.532 -0.229 69 HE22 GLN 632 HE22 GLN 632 -19.219 10.075 -0.677 70 H ASP 633 HN ASP 633 -13.114 7.711 1.251 71 HA ASP 633 HA ASP 633 -12.084 10.365 0.862 72 HB2 ASP 633 HB2 ASP 633 -11.748 8.414 3.145 73 HB3 ASP 633 HB1 ASP 633 -11.110 10.053 3.146 74 H TRP 634 HN TRP 634 -10.804 7.111 0.719 75 HA TRP 634 HA TRP 634 -8.096 7.820 1.033 76 HB2 TRP 634 HB2 TRP 634 -7.551 5.582 0.180 77 HB3 TRP 634 HB1 TRP 634 -8.809 5.525 1.401 78 HD1 TRP 634 HD1 TRP 634 -11.158 4.560 0.690 79 HE1 TRP 634 HE1 TRP 634 -11.995 3.321 -1.399 80 HE3 TRP 634 HE3 TRP 634 -7.219 5.490 -2.442 81 HZ2 TRP 634 HZ2 TRP 634 -11.103 2.791 -4.022 82 HZ3 TRP 634 HZ3 TRP 634 -7.293 4.573 -4.723 83 HH2 TRP 634 HH2 TRP 634 -9.193 3.254 -5.497 84 H LEU 635 HN LEU 635 -10.214 7.865 -1.723 85 HA LEU 635 HA LEU 635 -8.266 7.931 -3.759 86 HB2 LEU 635 HB2 LEU 635 -11.004 9.202 -3.675 87 HB3 LEU 635 HB1 LEU 635 -10.000 9.124 -5.109 88 HG LEU 635 HG LEU 635 -10.066 6.544 -4.676 89 HD11 LEU 635 HD11 LEU 635 -12.539 7.485 -3.239 90 HD12 LEU 635 HD12 LEU 635 -11.175 6.625 -2.525 91 HD13 LEU 635 HD13 LEU 635 -12.202 5.821 -3.711 92 HD21 LEU 635 HD21 LEU 635 -12.416 8.096 -5.745 93 HD22 LEU 635 HD22 LEU 635 -12.079 6.395 -6.067 94 HD23 LEU 635 HD23 LEU 635 -10.968 7.638 -6.641 95 H GLU 636 HN GLU 636 -9.786 10.462 -1.850 96 HA GLU 636 HA GLU 636 -8.338 12.581 -3.108 97 HB2 GLU 636 HB2 GLU 636 -9.909 12.509 -0.528 98 HB3 GLU 636 HB1 GLU 636 -9.290 13.970 -1.292 99 HG2 GLU 636 HG2 GLU 636 -11.313 12.077 -2.468 100 HG3 GLU 636 HG1 GLU 636 -11.652 13.654 -1.759 101 H ALA 637 HN ALA 637 -8.073 10.741 -0.122 102 HA ALA 637 HA ALA 637 -6.024 12.103 1.145 103 HB1 ALA 637 HB1 ALA 637 -5.596 10.088 2.368 104 HB2 ALA 637 HB2 ALA 637 -6.362 9.111 1.115 105 HB3 ALA 637 HB3 ALA 637 -7.335 10.211 2.093 106 H LEU 638 HN LEU 638 -5.782 9.459 -1.223 107 HA LEU 638 HA LEU 638 -2.941 9.406 -1.185 108 HB2 LEU 638 HB2 LEU 638 -4.854 8.339 -3.254 109 HB3 LEU 638 HB1 LEU 638 -3.146 7.956 -3.159 110 HG LEU 638 HG LEU 638 -5.287 7.201 -1.174 111 HD11 LEU 638 HD11 LEU 638 -3.538 5.551 -2.985 112 HD12 LEU 638 HD12 LEU 638 -5.261 5.854 -3.194 113 HD13 LEU 638 HD13 LEU 638 -4.690 4.918 -1.811 114 HD21 LEU 638 HD21 LEU 638 -3.472 5.972 -0.008 115 HD22 LEU 638 HD22 LEU 638 -3.308 7.725 0.078 116 HD23 LEU 638 HD23 LEU 638 -2.302 6.799 -1.038 117 H HIS 639 HN HIS 639 -5.086 11.601 -2.579 118 HA HIS 639 HA HIS 639 -3.382 12.231 -4.847 119 HB2 HIS 639 HB2 HIS 639 -5.854 12.349 -5.036 120 HB3 HIS 639 HB1 HIS 639 -5.864 13.651 -3.853 121 HD1 HIS 639 HD1 HIS 639 -6.541 15.632 -5.209 122 HD2 HIS 639 HD2 HIS 639 -3.546 13.413 -7.055 123 HE1 HIS 639 HE1 HIS 639 -5.861 16.956 -7.235 124 HE2 HIS 639 HE2 HIS 639 -4.106 15.562 -8.372 125 H TRP 640 HN TRP 640 -3.897 13.275 -1.605 126 HA TRP 640 HA TRP 640 -2.157 15.619 -2.029 127 HB2 TRP 640 HB2 TRP 640 -4.057 15.011 0.251 128 HB3 TRP 640 HB1 TRP 640 -3.050 16.445 0.130 129 HD1 TRP 640 HD1 TRP 640 -6.069 14.791 -1.612 130 HE1 TRP 640 HE1 TRP 640 -7.470 16.635 -2.736 131 HE3 TRP 640 HE3 TRP 640 -3.011 18.798 -0.711 132 HZ2 TRP 640 HZ2 TRP 640 -7.300 19.412 -3.176 133 HZ3 TRP 640 HZ3 TRP 640 -3.714 21.014 -1.518 134 HH2 TRP 640 HH2 TRP 640 -5.811 21.310 -2.723 135 H TYR 641 HN TYR 641 -1.651 12.610 -1.491 136 HA TYR 641 HA TYR 641 -0.773 12.499 1.238 137 HB2 TYR 641 HB2 TYR 641 -1.861 10.639 -0.223 138 HB3 TYR 641 HB1 TYR 641 -0.219 10.356 -0.785 139 HD1 TYR 641 HD1 TYR 641 -2.315 10.492 2.283 140 HD2 TYR 641 HD2 TYR 641 1.262 9.078 0.472 141 HE1 TYR 641 HE1 TYR 641 -1.869 9.097 4.260 142 HE2 TYR 641 HE2 TYR 641 1.711 7.680 2.436 143 HH TYR 641 HH TYR 641 1.068 7.771 4.927 144 H ASN 642 HN ASN 642 1.168 12.820 2.010 145 HA ASN 642 HA ASN 642 3.545 11.974 0.692 146 HB2 ASN 642 HB2 ASN 642 3.108 14.222 -0.405 147 HB3 ASN 642 HB1 ASN 642 3.344 14.954 1.179 148 HD21 ASN 642 HD21 ASN 642 4.884 15.302 -1.281 149 HD22 ASN 642 HD22 ASN 642 6.513 14.864 -0.894 150 H THR 643 HN THR 643 3.742 10.791 2.596 151 HA THR 643 HA THR 643 3.960 12.353 5.081 152 HB THR 643 HB THR 643 3.601 10.139 6.228 153 HG1 THR 643 HG1 THR 643 3.229 9.354 3.515 154 HG21 THR 643 HG21 THR 643 1.186 10.116 5.827 155 HG22 THR 643 HG22 THR 643 1.414 11.089 4.375 156 HG23 THR 643 HG23 THR 643 1.795 11.767 5.958 157 H ALA 644 HN ALA 644 5.216 9.162 4.204 158 HA ALA 644 HA ALA 644 7.283 8.259 4.118 159 HB1 ALA 644 HB1 ALA 644 8.385 11.057 4.238 160 HB2 ALA 644 HB2 ALA 644 7.886 10.231 2.764 161 HB3 ALA 644 HB3 ALA 644 9.231 9.599 3.715 162 H LEU 645 HN LEU 645 7.377 11.004 6.417 163 HA LEU 645 HA LEU 645 8.819 9.234 8.258 164 HB2 LEU 645 HB2 LEU 645 8.561 12.232 8.249 165 HB3 LEU 645 HB1 LEU 645 9.400 11.315 9.482 166 HG LEU 645 HG LEU 645 10.165 11.467 6.566 167 HD11 LEU 645 HD11 LEU 645 11.458 12.606 9.037 168 HD12 LEU 645 HD12 LEU 645 10.622 13.521 7.783 169 HD13 LEU 645 HD13 LEU 645 12.121 12.674 7.406 170 HD21 LEU 645 HD21 LEU 645 12.187 10.246 7.276 171 HD22 LEU 645 HD22 LEU 645 10.719 9.288 7.464 172 HD23 LEU 645 HD23 LEU 645 11.472 10.031 8.874 173 H GLU 646 HN GLU 646 6.177 11.608 8.253 174 HA GLU 646 HA GLU 646 5.365 11.086 10.901 175 HB2 GLU 646 HB2 GLU 646 3.257 12.246 10.255 176 HB3 GLU 646 HB1 GLU 646 4.711 13.147 9.854 177 HG2 GLU 646 HG2 GLU 646 4.513 12.348 7.524 178 HG3 GLU 646 HG1 GLU 646 2.993 11.566 7.958 179 H MET 647 HN MET 647 4.710 9.193 11.610 180 HA MET 647 HA MET 647 3.414 7.301 9.831 181 HB2 MET 647 HB2 MET 647 4.252 7.068 12.725 182 HB3 MET 647 HB1 MET 647 3.561 5.762 11.776 183 HG2 MET 647 HG2 MET 647 5.463 5.824 10.268 184 HG3 MET 647 HG1 MET 647 6.152 7.167 11.180 185 HE1 MET 647 HE1 MET 647 8.443 5.861 11.488 186 HE2 MET 647 HE2 MET 647 7.775 4.542 10.528 187 HE3 MET 647 HE3 MET 647 8.543 4.202 12.078 188 H THR 648 HN THR 648 1.334 7.791 9.484 189 HA THR 648 HA THR 648 -0.307 8.780 11.667 190 HB THR 648 HB THR 648 -2.071 9.010 9.904 191 HG1 THR 648 HG1 THR 648 -1.263 7.391 8.475 192 HG21 THR 648 HG21 THR 648 0.583 10.328 9.316 193 HG22 THR 648 HG22 THR 648 -0.622 10.888 10.476 194 HG23 THR 648 HG23 THR 648 -0.989 10.893 8.752 195 H ASP 649 HN ASP 649 -0.036 6.688 12.778 196 HA ASP 649 HA ASP 649 -1.739 4.550 11.732 197 HB2 ASP 649 HB2 ASP 649 0.122 4.610 14.122 198 HB3 ASP 649 HB1 ASP 649 -0.823 3.214 13.623 199 H CYS 650 HN CYS 650 -2.902 7.011 12.599 200 HA CYS 650 HA CYS 650 -3.972 6.635 15.246 201 HB2 CYS 650 HB2 CYS 650 -5.345 8.697 14.564 202 HB3 CYS 650 HB1 CYS 650 -3.599 8.891 14.677 203 HG CYS 650 HG CYS 650 -4.251 10.368 12.496 204 H ASP 651 HN ASP 651 -4.714 4.431 14.333 205 HA ASP 651 HA ASP 651 -7.569 4.520 14.124 206 HB2 ASP 651 HB2 ASP 651 -6.965 4.905 11.755 207 HB3 ASP 651 HB1 ASP 651 -5.990 3.439 11.769 208 H GLU 652 HN GLU 652 -8.479 2.485 14.690 209 HA GLU 652 HA GLU 652 -6.476 0.434 15.370 210 HB2 GLU 652 HB2 GLU 652 -7.835 -0.177 17.309 211 HB3 GLU 652 HB1 GLU 652 -7.331 1.504 17.389 212 HG2 GLU 652 HG2 GLU 652 -9.499 2.268 16.787 213 HG3 GLU 652 HG1 GLU 652 -10.031 0.630 16.408 214 H GLY 653 HN GLY 653 -8.395 0.888 13.031 215 HA2 GLY 653 HA2 GLY 653 -8.833 -1.302 11.833 216 HA3 GLY 653 HA1 GLY 653 -9.827 -1.685 13.231 217 H GLY 654 HN GLY 654 -9.422 0.752 10.692 218 HA2 GLY 654 HA2 GLY 654 -12.025 1.824 10.883 219 HA3 GLY 654 HA1 GLY 654 -10.959 1.957 9.498 220 H GLU 655 HN GLU 655 -10.728 -0.359 8.369 221 HA GLU 655 HA GLU 655 -13.489 -1.170 7.846 222 HB2 GLU 655 HB2 GLU 655 -12.703 -1.973 5.671 223 HB3 GLU 655 HB1 GLU 655 -12.331 -0.274 5.905 224 HG2 GLU 655 HG2 GLU 655 -10.302 -2.417 6.430 225 HG3 GLU 655 HG1 GLU 655 -10.568 -1.758 4.821 226 H TYR 656 HN TYR 656 -14.115 -2.941 8.791 227 HA TYR 656 HA TYR 656 -12.205 -5.172 9.049 228 HB2 TYR 656 HB2 TYR 656 -13.288 -4.162 11.162 229 HB3 TYR 656 HB1 TYR 656 -14.781 -4.902 10.599 230 HD1 TYR 656 HD1 TYR 656 -15.309 -6.952 11.492 231 HD2 TYR 656 HD2 TYR 656 -11.204 -5.894 11.130 232 HE1 TYR 656 HE1 TYR 656 -14.674 -9.077 12.551 233 HE2 TYR 656 HE2 TYR 656 -10.559 -8.021 12.187 234 HH TYR 656 HH TYR 656 -12.768 -10.578 12.662 235 H ASP 657 HN ASP 657 -13.455 -4.518 6.678 236 HA ASP 657 HA ASP 657 -14.831 -6.932 5.999 237 HB2 ASP 657 HB2 ASP 657 -16.697 -5.604 6.931 238 HB3 ASP 657 HB1 ASP 657 -16.294 -4.290 5.837 239 H GLY 658 HN GLY 658 -15.009 -7.138 3.680 240 HA2 GLY 658 HA2 GLY 658 -14.691 -5.566 1.609 241 HA3 GLY 658 HA1 GLY 658 -13.072 -5.442 2.291 242 H MET 659 HN MET 659 -11.971 -6.496 0.646 243 HA MET 659 HA MET 659 -12.764 -9.286 0.208 244 HB2 MET 659 HB2 MET 659 -12.382 -7.559 -1.733 245 HB3 MET 659 HB1 MET 659 -10.686 -7.918 -1.455 246 HG2 MET 659 HG2 MET 659 -12.812 -9.941 -2.138 247 HG3 MET 659 HG1 MET 659 -11.633 -9.268 -3.258 248 HE1 MET 659 HE1 MET 659 -8.915 -9.223 -1.746 249 HE2 MET 659 HE2 MET 659 -9.161 -9.876 -3.366 250 HE3 MET 659 HE3 MET 659 -8.296 -10.822 -2.156 251 H GLN 660 HN GLN 660 -11.885 -10.168 2.042 252 HA GLN 660 HA GLN 660 -8.961 -10.331 1.953 253 HB2 GLN 660 HB2 GLN 660 -8.934 -10.725 4.376 254 HB3 GLN 660 HB1 GLN 660 -9.570 -9.145 3.968 255 HG2 GLN 660 HG2 GLN 660 -11.326 -11.497 4.611 256 HG3 GLN 660 HG1 GLN 660 -10.724 -10.383 5.832 257 HE21 GLN 660 HE21 GLN 660 -13.025 -10.919 3.357 258 HE22 GLN 660 HE22 GLN 660 -13.874 -9.418 3.509 259 H ASP 661 HN ASP 661 -10.957 -11.906 0.584 260 HA ASP 661 HA ASP 661 -11.079 -14.503 1.729 261 HB2 ASP 661 HB2 ASP 661 -11.244 -13.558 -1.148 262 HB3 ASP 661 HB1 ASP 661 -11.484 -15.231 -0.662 263 H GLU 662 HN GLU 662 -9.299 -13.574 -1.176 264 HA GLU 662 HA GLU 662 -6.861 -14.688 0.022 265 HB2 GLU 662 HB2 GLU 662 -7.639 -16.202 -1.747 266 HB3 GLU 662 HB1 GLU 662 -7.707 -14.860 -2.881 267 HG2 GLU 662 HG2 GLU 662 -5.265 -14.566 -2.615 268 HG3 GLU 662 HG1 GLU 662 -5.240 -15.995 -1.584 269 HA PRO 663 HA PRO 663 -6.258 -10.302 -1.080 270 HB2 PRO 663 HB2 PRO 663 -4.836 -9.608 1.102 271 HB3 PRO 663 HB1 PRO 663 -6.599 -9.719 1.117 272 HG2 PRO 663 HG2 PRO 663 -4.572 -11.628 2.191 273 HG3 PRO 663 HG1 PRO 663 -6.175 -11.201 2.831 274 HD2 PRO 663 HD2 PRO 663 -5.578 -13.491 1.361 275 HD3 PRO 663 HD1 PRO 663 -7.209 -12.814 1.585 276 H ARG 664 HN ARG 664 -4.746 -10.003 -2.625 277 HA ARG 664 HA ARG 664 -2.189 -11.304 -2.424 278 HB2 ARG 664 HB2 ARG 664 -1.657 -10.305 -4.572 279 HB3 ARG 664 HB1 ARG 664 -3.248 -11.041 -4.621 280 HG2 ARG 664 HG2 ARG 664 -4.326 -8.940 -4.586 281 HG3 ARG 664 HG1 ARG 664 -2.829 -8.104 -4.172 282 HD2 ARG 664 HD2 ARG 664 -1.892 -8.668 -6.342 283 HD3 ARG 664 HD1 ARG 664 -3.344 -9.573 -6.754 284 HE ARG 664 HE ARG 664 -4.517 -7.339 -6.495 285 HH11 ARG 664 HH11 ARG 664 -1.191 -7.638 -7.572 286 HH12 ARG 664 HH12 ARG 664 -1.202 -6.132 -8.429 287 HH21 ARG 664 HH21 ARG 664 -4.529 -5.362 -7.652 288 HH22 ARG 664 HH22 ARG 664 -3.093 -4.829 -8.477 289 H TYR 665 HN TYR 665 -3.470 -8.271 -1.423 290 HA TYR 665 HA TYR 665 -1.119 -6.736 -1.669 291 HB2 TYR 665 HB2 TYR 665 -2.197 -5.285 0.155 292 HB3 TYR 665 HB1 TYR 665 -3.012 -5.424 -1.393 293 HD1 TYR 665 HD1 TYR 665 -5.014 -6.944 -1.561 294 HD2 TYR 665 HD2 TYR 665 -3.288 -5.833 2.159 295 HE1 TYR 665 HE1 TYR 665 -7.117 -7.511 -0.428 296 HE2 TYR 665 HE2 TYR 665 -5.392 -6.404 3.310 297 HH TYR 665 HH TYR 665 -8.036 -7.982 1.618 298 H MET 666 HN MET 666 -2.152 -9.009 0.748 299 HA MET 666 HA MET 666 -0.227 -8.256 2.710 300 HB2 MET 666 HB2 MET 666 -1.809 -10.790 2.256 301 HB3 MET 666 HB1 MET 666 -0.659 -10.620 3.583 302 HG2 MET 666 HG2 MET 666 -1.938 -8.846 4.550 303 HG3 MET 666 HG1 MET 666 -3.003 -8.780 3.149 304 HE1 MET 666 HE1 MET 666 -5.114 -8.894 4.645 305 HE2 MET 666 HE2 MET 666 -4.154 -8.978 6.122 306 HE3 MET 666 HE3 MET 666 -5.440 -10.151 5.838 307 H MET 667 HN MET 667 -0.299 -10.589 0.072 308 HA MET 667 HA MET 667 2.216 -11.773 0.651 309 HB2 MET 667 HB2 MET 667 0.507 -12.893 -0.711 310 HB3 MET 667 HB1 MET 667 0.655 -11.646 -1.937 311 HG2 MET 667 HG2 MET 667 2.982 -12.331 -2.326 312 HG3 MET 667 HG1 MET 667 2.787 -13.614 -1.133 313 HE1 MET 667 HE1 MET 667 0.547 -13.432 -5.166 314 HE2 MET 667 HE2 MET 667 1.684 -12.210 -4.595 315 HE3 MET 667 HE3 MET 667 0.115 -12.391 -3.810 316 H LEU 668 HN LEU 668 1.135 -9.224 -1.543 317 HA LEU 668 HA LEU 668 3.662 -8.707 -2.712 318 HB2 LEU 668 HB2 LEU 668 1.069 -7.234 -2.569 319 HB3 LEU 668 HB1 LEU 668 2.497 -6.365 -3.093 320 HG LEU 668 HG LEU 668 2.791 -7.891 -4.964 321 HD11 LEU 668 HD11 LEU 668 1.943 -9.945 -3.972 322 HD12 LEU 668 HD12 LEU 668 1.120 -9.595 -5.491 323 HD13 LEU 668 HD13 LEU 668 0.312 -9.276 -3.956 324 HD21 LEU 668 HD21 LEU 668 1.382 -5.945 -5.281 325 HD22 LEU 668 HD22 LEU 668 -0.027 -6.853 -4.733 326 HD23 LEU 668 HD23 LEU 668 0.785 -7.301 -6.234 327 H ALA 669 HN ALA 669 2.072 -7.499 0.213 328 HA ALA 669 HA ALA 669 4.025 -5.421 0.619 329 HB1 ALA 669 HB1 ALA 669 1.988 -6.572 2.525 330 HB2 ALA 669 HB2 ALA 669 1.757 -5.164 1.489 331 HB3 ALA 669 HB3 ALA 669 2.946 -5.115 2.791 332 H ARG 670 HN ARG 670 3.467 -8.717 1.685 333 HA ARG 670 HA ARG 670 5.515 -8.919 3.594 334 HB2 ARG 670 HB2 ARG 670 3.751 -10.617 3.245 335 HB3 ARG 670 HB1 ARG 670 4.465 -11.023 1.691 336 HG2 ARG 670 HG2 ARG 670 6.520 -11.728 2.860 337 HG3 ARG 670 HG1 ARG 670 5.715 -11.411 4.400 338 HD2 ARG 670 HD2 ARG 670 3.940 -13.019 3.726 339 HD3 ARG 670 HD1 ARG 670 4.896 -13.406 2.297 340 HE ARG 670 HE ARG 670 6.456 -13.722 4.633 341 HH11 ARG 670 HH11 ARG 670 3.874 -15.240 2.819 342 HH12 ARG 670 HH12 ARG 670 4.198 -16.826 3.446 343 HH21 ARG 670 HH21 ARG 670 6.883 -15.803 5.455 344 HH22 ARG 670 HH22 ARG 670 5.913 -17.147 4.941 345 H GLU 671 HN GLU 671 5.486 -9.465 0.078 346 HA GLU 671 HA GLU 671 8.218 -10.194 -0.098 347 HB2 GLU 671 HB2 GLU 671 6.525 -10.708 -1.840 348 HB3 GLU 671 HB1 GLU 671 6.436 -8.995 -2.229 349 HG2 GLU 671 HG2 GLU 671 8.650 -8.975 -3.054 350 HG3 GLU 671 HG1 GLU 671 8.982 -10.579 -2.401 351 H ALA 672 HN ALA 672 6.479 -7.131 -0.560 352 HA ALA 672 HA ALA 672 8.631 -5.474 -1.131 353 HB1 ALA 672 HB1 ALA 672 6.249 -4.756 0.571 354 HB2 ALA 672 HB2 ALA 672 6.243 -4.815 -1.188 355 HB3 ALA 672 HB3 ALA 672 7.268 -3.653 -0.351 356 H GLU 673 HN GLU 673 7.396 -6.556 1.996 357 HA GLU 673 HA GLU 673 9.136 -5.041 3.611 358 HB2 GLU 673 HB2 GLU 673 7.097 -6.078 4.470 359 HB3 GLU 673 HB1 GLU 673 7.756 -7.676 4.157 360 HG2 GLU 673 HG2 GLU 673 9.448 -7.359 5.827 361 HG3 GLU 673 HG1 GLU 673 8.946 -5.686 6.071 362 H MET 674 HN MET 674 9.381 -8.276 2.198 363 HA MET 674 HA MET 674 11.898 -8.882 3.399 364 HB2 MET 674 HB2 MET 674 10.567 -10.045 0.946 365 HB3 MET 674 HB1 MET 674 12.051 -10.663 1.655 366 HG2 MET 674 HG2 MET 674 10.769 -11.022 3.778 367 HG3 MET 674 HG1 MET 674 9.307 -10.639 2.871 368 HE1 MET 674 HE1 MET 674 8.407 -12.112 0.823 369 HE2 MET 674 HE2 MET 674 9.260 -13.522 0.198 370 HE3 MET 674 HE3 MET 674 9.966 -11.916 0.019 371 H LEU 675 HN LEU 675 10.930 -7.079 0.580 372 HA LEU 675 HA LEU 675 13.601 -7.015 -0.538 373 HB2 LEU 675 HB2 LEU 675 10.919 -5.978 -1.274 374 HB3 LEU 675 HB1 LEU 675 12.292 -5.050 -1.841 375 HG LEU 675 HG LEU 675 11.410 -6.669 -3.504 376 HD11 LEU 675 HD11 LEU 675 13.571 -7.581 -4.164 377 HD12 LEU 675 HD12 LEU 675 14.224 -7.195 -2.572 378 HD13 LEU 675 HD13 LEU 675 13.701 -5.901 -3.651 379 HD21 LEU 675 HD21 LEU 675 12.469 -8.767 -1.619 380 HD22 LEU 675 HD22 LEU 675 11.817 -9.038 -3.235 381 HD23 LEU 675 HD23 LEU 675 10.767 -8.448 -1.947 382 H PHE 676 HN PHE 676 11.763 -5.293 1.776 383 HA PHE 676 HA PHE 676 13.312 -2.866 1.603 384 HB2 PHE 676 HB2 PHE 676 10.939 -2.852 2.326 385 HB3 PHE 676 HB1 PHE 676 11.387 -3.776 3.760 386 HD1 PHE 676 HD1 PHE 676 11.398 -2.525 5.672 387 HD2 PHE 676 HD2 PHE 676 12.690 -0.715 2.044 388 HE1 PHE 676 HE1 PHE 676 11.864 -0.435 6.880 389 HE2 PHE 676 HE2 PHE 676 13.156 1.377 3.249 390 HZ PHE 676 HZ PHE 676 12.717 1.534 5.654 391 H THR 677 HN THR 677 13.052 -5.533 3.983 392 HA THR 677 HA THR 677 15.374 -4.500 5.382 393 HB THR 677 HB THR 677 14.993 -6.477 6.898 394 HG1 THR 677 HG1 THR 677 12.454 -6.959 6.127 395 HG21 THR 677 HG21 THR 677 12.970 -5.558 7.924 396 HG22 THR 677 HG22 THR 677 12.628 -4.654 6.449 397 HG23 THR 677 HG23 THR 677 14.058 -4.271 7.408 398 H GLY 678 HN GLY 678 14.594 -7.002 3.105 399 HA2 GLY 678 HA2 GLY 678 16.226 -8.068 1.752 400 HA3 GLY 678 HA1 GLY 678 17.426 -7.757 3.006 401 H GLY 679 HN GLY 679 17.904 -10.082 2.603 402 HA2 GLY 679 HA2 GLY 679 17.308 -11.672 4.709 403 HA3 GLY 679 HA1 GLY 679 16.001 -12.001 3.580 404 H TYR 680 HN TYR 680 17.089 -14.188 3.837 405 HA TYR 680 HA TYR 680 19.529 -14.509 2.305 406 HB2 TYR 680 HB2 TYR 680 17.726 -16.497 3.697 407 HB3 TYR 680 HB1 TYR 680 19.142 -16.970 2.760 408 HD1 TYR 680 HD1 TYR 680 21.398 -16.331 3.517 409 HD2 TYR 680 HD2 TYR 680 17.954 -15.560 5.889 410 HE1 TYR 680 HE1 TYR 680 22.837 -15.987 5.479 411 HE2 TYR 680 HE2 TYR 680 19.387 -15.210 7.860 412 HH TYR 680 HH TYR 680 21.790 -16.056 8.555 413 H GLY 681 HN GLY 681 18.803 -13.696 0.307 414 HA2 GLY 681 HA2 GLY 681 18.400 -14.942 -1.849 415 HA3 GLY 681 HA1 GLY 681 16.876 -15.435 -1.112 416 H LEU 682 HN LEU 682 16.516 -12.848 0.196 417 HA LEU 682 HA LEU 682 15.532 -11.363 -2.127 418 HB2 LEU 682 HB2 LEU 682 14.822 -11.202 0.807 419 HB3 LEU 682 HB1 LEU 682 14.223 -10.076 -0.390 420 HG LEU 682 HG LEU 682 12.483 -11.624 0.019 421 HD11 LEU 682 HD11 LEU 682 12.854 -11.052 -2.342 422 HD12 LEU 682 HD12 LEU 682 12.093 -12.627 -2.120 423 HD13 LEU 682 HD13 LEU 682 13.806 -12.527 -2.525 424 HD21 LEU 682 HD21 LEU 682 14.422 -13.865 -0.506 425 HD22 LEU 682 HD22 LEU 682 12.711 -14.027 -0.112 426 HD23 LEU 682 HD23 LEU 682 13.834 -13.374 1.082 427 H GLU 683 HN GLU 683 16.199 -9.305 -2.551 428 HA GLU 683 HA GLU 683 18.533 -8.388 -1.033 429 HB2 GLU 683 HB2 GLU 683 17.474 -7.550 -3.736 430 HB3 GLU 683 HB1 GLU 683 18.897 -6.867 -2.968 431 HG2 GLU 683 HG2 GLU 683 18.524 -9.700 -3.902 432 HG3 GLU 683 HG1 GLU 683 19.587 -8.475 -4.591 433 H LYS 684 HN LYS 684 18.726 -6.185 -0.392 434 HA LYS 684 HA LYS 684 16.155 -4.976 0.245 435 HB2 LYS 684 HB2 LYS 684 17.431 -3.429 1.679 436 HB3 LYS 684 HB1 LYS 684 17.732 -5.110 2.082 437 HG2 LYS 684 HG2 LYS 684 19.850 -4.946 0.737 438 HG3 LYS 684 HG1 LYS 684 19.558 -3.208 0.630 439 HD2 LYS 684 HD2 LYS 684 19.807 -4.769 3.202 440 HD3 LYS 684 HD1 LYS 684 21.105 -3.830 2.462 441 HE2 LYS 684 HE2 LYS 684 18.447 -2.668 3.293 442 HE3 LYS 684 HE1 LYS 684 19.880 -2.667 4.316 443 HZ1 LYS 684 HZ1 LYS 684 21.035 -1.378 2.627 444 HZ2 LYS 684 HZ2 LYS 684 19.639 -0.579 3.145 445 HZ3 LYS 684 HZ3 LYS 684 19.653 -1.370 1.653 446 H ASP 685 HN ASP 685 15.443 -4.213 -1.663 447 HA ASP 685 HA ASP 685 17.093 -2.152 -2.977 448 HB2 ASP 685 HB2 ASP 685 16.716 -4.190 -4.379 449 HB3 ASP 685 HB1 ASP 685 14.979 -3.882 -4.291 450 HA PRO 686 HA PRO 686 13.884 0.472 -1.193 451 HB2 PRO 686 HB2 PRO 686 15.225 2.399 -3.019 452 HB3 PRO 686 HB1 PRO 686 14.830 2.561 -1.305 453 HG2 PRO 686 HG2 PRO 686 17.338 2.107 -2.141 454 HG3 PRO 686 HG1 PRO 686 16.715 1.424 -0.628 455 HD2 PRO 686 HD2 PRO 686 17.249 0.084 -3.230 456 HD3 PRO 686 HD1 PRO 686 17.312 -0.580 -1.579 457 H GLN 687 HN GLN 687 14.688 0.376 -4.651 458 HA GLN 687 HA GLN 687 12.317 1.786 -5.431 459 HB2 GLN 687 HB2 GLN 687 14.329 1.891 -6.807 460 HB3 GLN 687 HB1 GLN 687 14.276 0.152 -7.052 461 HG2 GLN 687 HG2 GLN 687 13.480 1.314 -9.013 462 HG3 GLN 687 HG1 GLN 687 12.178 0.386 -8.273 463 HE21 GLN 687 HE21 GLN 687 10.441 1.456 -7.354 464 HE22 GLN 687 HE22 GLN 687 10.153 3.143 -7.604 465 H ARG 688 HN ARG 688 13.351 -1.602 -5.332 466 HA ARG 688 HA ARG 688 11.018 -2.612 -6.627 467 HB2 ARG 688 HB2 ARG 688 13.486 -3.628 -5.995 468 HB3 ARG 688 HB1 ARG 688 12.482 -4.381 -4.767 469 HG2 ARG 688 HG2 ARG 688 12.027 -4.552 -7.739 470 HG3 ARG 688 HG1 ARG 688 12.765 -5.797 -6.734 471 HD2 ARG 688 HD2 ARG 688 10.698 -5.985 -5.447 472 HD3 ARG 688 HD1 ARG 688 9.956 -4.742 -6.452 473 HE ARG 688 HE ARG 688 10.884 -7.321 -7.545 474 HH11 ARG 688 HH11 ARG 688 8.476 -4.791 -7.292 475 HH12 ARG 688 HH12 ARG 688 7.362 -5.568 -8.368 476 HH21 ARG 688 HH21 ARG 688 9.415 -8.342 -8.969 477 HH22 ARG 688 HH22 ARG 688 7.899 -7.580 -9.328 478 H SER 689 HN SER 689 12.120 -2.218 -3.294 479 HA SER 689 HA SER 689 10.006 -3.386 -1.945 480 HB2 SER 689 HB2 SER 689 12.117 -2.545 -0.901 481 HB3 SER 689 HB1 SER 689 11.506 -0.901 -1.088 482 HG SER 689 HG SER 689 10.436 -2.994 0.500 483 H GLY 690 HN GLY 690 10.322 0.100 -2.919 484 HA2 GLY 690 HA2 GLY 690 7.769 0.762 -1.918 485 HA3 GLY 690 HA1 GLY 690 8.752 1.719 -3.027 486 H ASP 691 HN ASP 691 8.928 -0.385 -5.040 487 HA ASP 691 HA ASP 691 6.571 0.196 -6.507 488 HB2 ASP 691 HB2 ASP 691 8.656 -0.371 -7.649 489 HB3 ASP 691 HB1 ASP 691 8.632 -1.983 -6.934 490 H LEU 692 HN LEU 692 7.618 -2.663 -4.664 491 HA LEU 692 HA LEU 692 5.273 -4.168 -5.210 492 HB2 LEU 692 HB2 LEU 692 7.430 -4.364 -3.138 493 HB3 LEU 692 HB1 LEU 692 6.027 -5.413 -3.089 494 HG LEU 692 HG LEU 692 7.789 -5.234 -5.515 495 HD11 LEU 692 HD11 LEU 692 8.018 -7.087 -3.149 496 HD12 LEU 692 HD12 LEU 692 9.206 -5.893 -3.668 497 HD13 LEU 692 HD13 LEU 692 8.862 -7.295 -4.682 498 HD21 LEU 692 HD21 LEU 692 5.818 -7.277 -4.497 499 HD22 LEU 692 HD22 LEU 692 6.806 -7.452 -5.948 500 HD23 LEU 692 HD23 LEU 692 5.584 -6.184 -5.861 501 H TYR 693 HN TYR 693 6.184 -1.922 -2.626 502 HA TYR 693 HA TYR 693 3.884 -2.400 -1.043 503 HB2 TYR 693 HB2 TYR 693 5.953 -0.255 -1.131 504 HB3 TYR 693 HB1 TYR 693 4.438 0.099 -0.292 505 HD1 TYR 693 HD1 TYR 693 3.679 -2.101 1.198 506 HD2 TYR 693 HD2 TYR 693 7.661 -0.902 0.296 507 HE1 TYR 693 HE1 TYR 693 4.483 -3.283 3.197 508 HE2 TYR 693 HE2 TYR 693 8.475 -2.082 2.292 509 HH TYR 693 HH TYR 693 6.515 -4.257 4.067 510 H THR 694 HN THR 694 4.519 -0.213 -3.735 511 HA THR 694 HA THR 694 2.020 1.153 -3.463 512 HB THR 694 HB THR 694 2.521 1.913 -5.868 513 HG1 THR 694 HG1 THR 694 5.137 0.996 -5.315 514 HG21 THR 694 HG21 THR 694 4.203 3.500 -5.111 515 HG22 THR 694 HG22 THR 694 4.569 2.481 -3.718 516 HG23 THR 694 HG23 THR 694 2.992 3.257 -3.854 517 H GLN 695 HN GLN 695 3.167 -1.608 -5.383 518 HA GLN 695 HA GLN 695 0.738 -2.023 -6.785 519 HB2 GLN 695 HB2 GLN 695 2.889 -3.982 -5.957 520 HB3 GLN 695 HB1 GLN 695 1.542 -4.392 -7.007 521 HG2 GLN 695 HG2 GLN 695 2.337 -2.606 -8.573 522 HG3 GLN 695 HG1 GLN 695 3.776 -2.456 -7.559 523 HE21 GLN 695 HE21 GLN 695 3.759 -5.351 -6.969 524 HE22 GLN 695 HE22 GLN 695 4.369 -6.117 -8.395 525 H ALA 696 HN ALA 696 1.972 -3.161 -3.669 526 HA ALA 696 HA ALA 696 -0.196 -4.762 -2.951 527 HB1 ALA 696 HB1 ALA 696 1.595 -3.149 -1.138 528 HB2 ALA 696 HB2 ALA 696 1.947 -4.762 -1.757 529 HB3 ALA 696 HB3 ALA 696 0.588 -4.516 -0.662 530 H ALA 697 HN ALA 697 0.341 -1.240 -2.587 531 HA ALA 697 HA ALA 697 -1.993 -0.767 -1.083 532 HB1 ALA 697 HB1 ALA 697 -0.628 1.138 -2.977 533 HB2 ALA 697 HB2 ALA 697 -0.071 0.812 -1.338 534 HB3 ALA 697 HB3 ALA 697 -1.652 1.546 -1.601 535 H GLU 698 HN GLU 698 -1.307 -0.886 -4.541 536 HA GLU 698 HA GLU 698 -3.798 -0.091 -5.522 537 HB2 GLU 698 HB2 GLU 698 -1.953 -0.438 -7.029 538 HB3 GLU 698 HB1 GLU 698 -1.816 -2.126 -6.556 539 HG2 GLU 698 HG2 GLU 698 -4.088 -2.495 -7.520 540 HG3 GLU 698 HG1 GLU 698 -4.028 -0.846 -8.138 541 H ALA 699 HN ALA 699 -2.613 -3.347 -4.684 542 HA ALA 699 HA ALA 699 -5.017 -4.709 -5.159 543 HB1 ALA 699 HB1 ALA 699 -4.026 -6.465 -3.713 544 HB2 ALA 699 HB2 ALA 699 -2.722 -5.344 -3.318 545 HB3 ALA 699 HB3 ALA 699 -2.940 -5.892 -4.979 546 H ALA 700 HN ALA 700 -3.868 -2.898 -2.412 547 HA ALA 700 HA ALA 700 -5.795 -3.880 -0.547 548 HB1 ALA 700 HB1 ALA 700 -3.694 -2.871 0.184 549 HB2 ALA 700 HB2 ALA 700 -5.083 -2.030 0.869 550 HB3 ALA 700 HB3 ALA 700 -4.204 -1.321 -0.484 551 H MET 701 HN MET 701 -5.552 -0.898 -2.479 552 HA MET 701 HA MET 701 -8.016 0.180 -1.621 553 HB2 MET 701 HB2 MET 701 -7.777 1.794 -3.368 554 HB3 MET 701 HB1 MET 701 -6.166 1.465 -2.746 555 HG2 MET 701 HG2 MET 701 -5.726 0.001 -4.643 556 HG3 MET 701 HG1 MET 701 -7.344 0.311 -5.264 557 HE1 MET 701 HE1 MET 701 -4.839 2.893 -3.590 558 HE2 MET 701 HE2 MET 701 -3.981 3.463 -5.021 559 HE3 MET 701 HE3 MET 701 -3.816 1.786 -4.504 560 H GLU 702 HN GLU 702 -7.168 -2.080 -4.165 561 HA GLU 702 HA GLU 702 -9.754 -2.013 -5.412 562 HB2 GLU 702 HB2 GLU 702 -7.448 -3.940 -5.615 563 HB3 GLU 702 HB1 GLU 702 -8.924 -4.097 -6.559 564 HG2 GLU 702 HG2 GLU 702 -7.063 -1.730 -6.615 565 HG3 GLU 702 HG1 GLU 702 -7.112 -3.022 -7.814 566 H ALA 703 HN ALA 703 -8.497 -3.494 -2.629 567 HA ALA 703 HA ALA 703 -10.658 -5.482 -2.561 568 HB1 ALA 703 HB1 ALA 703 -8.437 -6.352 -2.136 569 HB2 ALA 703 HB2 ALA 703 -9.431 -6.481 -0.685 570 HB3 ALA 703 HB3 ALA 703 -8.219 -5.207 -0.813 571 H MET 704 HN MET 704 -10.613 -2.432 -1.944 572 HA MET 704 HA MET 704 -11.759 -0.997 -0.627 573 HB2 MET 704 HB2 MET 704 -13.092 -3.563 0.218 574 HB3 MET 704 HB1 MET 704 -13.551 -2.007 0.899 575 HG2 MET 704 HG2 MET 704 -13.639 -2.758 -2.013 576 HG3 MET 704 HG1 MET 704 -15.022 -2.641 -0.925 577 HE1 MET 704 HE1 MET 704 -15.398 0.448 -3.358 578 HE2 MET 704 HE2 MET 704 -16.140 -1.046 -2.787 579 HE3 MET 704 HE3 MET 704 -14.683 -1.109 -3.777 580 H LYS 705 HN LYS 705 -9.211 -1.954 0.204 581 HA LYS 705 HA LYS 705 -9.468 -1.647 3.120 582 HB2 LYS 705 HB2 LYS 705 -7.238 -2.895 1.503 583 HB3 LYS 705 HB1 LYS 705 -7.184 -2.637 3.238 584 HG2 LYS 705 HG2 LYS 705 -9.154 -4.393 1.793 585 HG3 LYS 705 HG1 LYS 705 -7.730 -4.945 2.678 586 HD2 LYS 705 HD2 LYS 705 -8.685 -3.842 4.716 587 HD3 LYS 705 HD1 LYS 705 -10.161 -3.556 3.794 588 HE2 LYS 705 HE2 LYS 705 -10.425 -5.547 5.117 589 HE3 LYS 705 HE1 LYS 705 -10.344 -5.991 3.413 590 HZ1 LYS 705 HZ1 LYS 705 -8.051 -6.113 5.293 591 HZ2 LYS 705 HZ2 LYS 705 -8.072 -6.660 3.689 592 HZ3 LYS 705 HZ3 LYS 705 -9.008 -7.436 4.866 593 H GLY 706 HN GLY 706 -9.762 0.652 2.523 594 HA2 GLY 706 HA2 GLY 706 -7.912 2.274 1.272 595 HA3 GLY 706 HA1 GLY 706 -8.993 2.801 2.551 596 H ARG 707 HN ARG 707 -8.016 1.455 4.776 597 HA ARG 707 HA ARG 707 -5.843 3.116 5.454 598 HB2 ARG 707 HB2 ARG 707 -7.231 2.271 7.226 599 HB3 ARG 707 HB1 ARG 707 -6.820 0.606 6.823 600 HG2 ARG 707 HG2 ARG 707 -4.501 1.018 7.439 601 HG3 ARG 707 HG1 ARG 707 -4.886 2.696 7.808 602 HD2 ARG 707 HD2 ARG 707 -6.265 2.037 9.646 603 HD3 ARG 707 HD1 ARG 707 -6.133 0.334 9.200 604 HE ARG 707 HE ARG 707 -3.548 1.278 9.574 605 HH11 ARG 707 HH11 ARG 707 -6.421 0.848 11.522 606 HH12 ARG 707 HH12 ARG 707 -5.521 0.546 12.980 607 HH21 ARG 707 HH21 ARG 707 -2.378 0.903 11.478 608 HH22 ARG 707 HH22 ARG 707 -3.228 0.593 12.961 609 H LEU 708 HN LEU 708 -5.939 -0.238 4.367 610 HA LEU 708 HA LEU 708 -3.218 -0.824 4.819 611 HB2 LEU 708 HB2 LEU 708 -5.314 -1.968 3.010 612 HB3 LEU 708 HB1 LEU 708 -3.651 -2.478 2.841 613 HG LEU 708 HG LEU 708 -4.933 -4.059 4.190 614 HD11 LEU 708 HD11 LEU 708 -3.428 -4.218 6.073 615 HD12 LEU 708 HD12 LEU 708 -2.917 -2.548 5.837 616 HD13 LEU 708 HD13 LEU 708 -2.545 -3.765 4.616 617 HD21 LEU 708 HD21 LEU 708 -6.580 -2.545 5.147 618 HD22 LEU 708 HD22 LEU 708 -5.323 -1.753 6.095 619 HD23 LEU 708 HD23 LEU 708 -5.742 -3.436 6.417 620 H ALA 709 HN ALA 709 -4.936 0.347 1.960 621 HA ALA 709 HA ALA 709 -2.746 0.650 0.260 622 HB1 ALA 709 HB1 ALA 709 -5.038 0.829 -0.527 623 HB2 ALA 709 HB2 ALA 709 -4.120 2.272 -0.962 624 HB3 ALA 709 HB3 ALA 709 -5.250 2.320 0.391 625 H ASN 710 HN ASN 710 -4.134 2.873 2.626 626 HA ASN 710 HA ASN 710 -2.501 5.094 2.078 627 HB2 ASN 710 HB2 ASN 710 -4.631 5.049 3.438 628 HB3 ASN 710 HB1 ASN 710 -3.702 4.345 4.754 629 HD21 ASN 710 HD21 ASN 710 -2.278 5.653 5.922 630 HD22 ASN 710 HD22 ASN 710 -2.278 7.376 5.760 631 H GLN 711 HN GLN 711 -2.212 2.551 4.549 632 HA GLN 711 HA GLN 711 0.215 3.357 5.657 633 HB2 GLN 711 HB2 GLN 711 -0.998 0.605 5.401 634 HB3 GLN 711 HB1 GLN 711 0.456 0.938 6.331 635 HG2 GLN 711 HG2 GLN 711 -0.795 2.446 7.776 636 HG3 GLN 711 HG1 GLN 711 -2.255 2.151 6.833 637 HE21 GLN 711 HE21 GLN 711 -1.563 -0.719 6.498 638 HE22 GLN 711 HE22 GLN 711 -1.931 -1.457 8.019 639 H TYR 712 HN TYR 712 -0.332 0.878 3.149 640 HA TYR 712 HA TYR 712 2.346 0.335 2.674 641 HB2 TYR 712 HB2 TYR 712 0.016 0.147 0.770 642 HB3 TYR 712 HB1 TYR 712 1.625 -0.502 0.429 643 HD1 TYR 712 HD1 TYR 712 1.941 -1.266 3.529 644 HD2 TYR 712 HD2 TYR 712 -0.921 -2.105 0.502 645 HE1 TYR 712 HE1 TYR 712 1.343 -3.346 4.684 646 HE2 TYR 712 HE2 TYR 712 -1.529 -4.190 1.652 647 HH TYR 712 HH TYR 712 -0.398 -5.796 3.262 648 H TYR 713 HN TYR 713 0.373 2.959 1.277 649 HA TYR 713 HA TYR 713 2.454 3.862 -0.444 650 HB2 TYR 713 HB2 TYR 713 -0.063 5.071 0.607 651 HB3 TYR 713 HB1 TYR 713 1.162 6.160 -0.035 652 HD1 TYR 713 HD1 TYR 713 2.097 5.497 -2.409 653 HD2 TYR 713 HD2 TYR 713 -1.621 4.164 -0.834 654 HE1 TYR 713 HE1 TYR 713 1.303 5.039 -4.689 655 HE2 TYR 713 HE2 TYR 713 -2.425 3.700 -3.116 656 HH TYR 713 HH TYR 713 -1.912 4.506 -5.453 657 H GLN 714 HN GLN 714 1.556 4.637 2.890 658 HA GLN 714 HA GLN 714 3.503 6.625 3.351 659 HB2 GLN 714 HB2 GLN 714 1.527 6.146 4.801 660 HB3 GLN 714 HB1 GLN 714 2.324 4.675 5.340 661 HG2 GLN 714 HG2 GLN 714 3.991 5.869 6.479 662 HG3 GLN 714 HG1 GLN 714 3.574 7.380 5.666 663 HE21 GLN 714 HE21 GLN 714 1.663 8.438 6.238 664 HE22 GLN 714 HE22 GLN 714 0.892 8.173 7.764 665 H LYS 715 HN LYS 715 3.661 3.181 3.229 666 HA LYS 715 HA LYS 715 6.183 3.046 4.660 667 HB2 LYS 715 HB2 LYS 715 4.537 1.233 4.969 668 HB3 LYS 715 HB1 LYS 715 4.609 0.878 3.245 669 HG2 LYS 715 HG2 LYS 715 5.906 -0.744 4.445 670 HG3 LYS 715 HG1 LYS 715 6.984 0.276 3.493 671 HD2 LYS 715 HD2 LYS 715 7.598 1.540 5.460 672 HD3 LYS 715 HD1 LYS 715 6.425 0.646 6.435 673 HE2 LYS 715 HE2 LYS 715 8.781 -0.603 5.025 674 HE3 LYS 715 HE1 LYS 715 8.786 -0.117 6.720 675 HZ1 LYS 715 HZ1 LYS 715 7.018 -2.166 5.484 676 HZ2 LYS 715 HZ2 LYS 715 6.937 -1.661 7.098 677 HZ3 LYS 715 HZ3 LYS 715 8.318 -2.455 6.531 678 H ALA 716 HN ALA 716 4.916 2.833 1.382 679 HA ALA 716 HA ALA 716 7.334 2.334 0.047 680 HB1 ALA 716 HB1 ALA 716 5.161 2.238 -1.073 681 HB2 ALA 716 HB2 ALA 716 6.248 3.347 -1.909 682 HB3 ALA 716 HB3 ALA 716 4.974 3.979 -0.870 683 H GLU 717 HN GLU 717 5.756 5.400 0.938 684 HA GLU 717 HA GLU 717 7.755 7.109 0.019 685 HB2 GLU 717 HB2 GLU 717 5.864 7.445 2.343 686 HB3 GLU 717 HB1 GLU 717 6.857 8.732 1.678 687 HG2 GLU 717 HG2 GLU 717 5.703 8.303 -0.526 688 HG3 GLU 717 HG1 GLU 717 4.572 7.292 0.376 689 H GLU 718 HN GLU 718 7.289 5.643 3.231 690 HA GLU 718 HA GLU 718 9.571 6.702 4.438 691 HB2 GLU 718 HB2 GLU 718 7.882 5.547 5.741 692 HB3 GLU 718 HB1 GLU 718 8.221 4.040 4.900 693 HG2 GLU 718 HG2 GLU 718 10.411 3.925 5.882 694 HG3 GLU 718 HG1 GLU 718 10.202 5.511 6.620 695 H ALA 719 HN ALA 719 9.166 3.719 2.554 696 HA ALA 719 HA ALA 719 11.709 2.680 2.764 697 HB1 ALA 719 HB1 ALA 719 11.310 1.558 0.641 698 HB2 ALA 719 HB2 ALA 719 9.976 2.658 0.294 699 HB3 ALA 719 HB3 ALA 719 9.859 1.526 1.642 700 H TRP 720 HN TRP 720 10.543 4.941 0.254 701 HA TRP 720 HA TRP 720 13.138 5.224 -0.889 702 HB2 TRP 720 HB2 TRP 720 10.701 6.991 -1.199 703 HB3 TRP 720 HB1 TRP 720 12.154 7.085 -2.192 704 HD1 TRP 720 HD1 TRP 720 12.553 3.910 -2.603 705 HE1 TRP 720 HE1 TRP 720 10.965 2.649 -4.176 706 HE3 TRP 720 HE3 TRP 720 8.640 7.226 -2.665 707 HZ2 TRP 720 HZ2 TRP 720 8.411 3.004 -5.309 708 HZ3 TRP 720 HZ3 TRP 720 6.671 6.683 -4.025 709 HH2 TRP 720 HH2 TRP 720 6.557 4.618 -5.323 710 H ALA 721 HN ALA 721 11.402 7.067 1.566 711 HA ALA 721 HA ALA 721 13.171 9.323 1.432 712 HB1 ALA 721 HB1 ALA 721 10.860 9.579 2.168 713 HB2 ALA 721 HB2 ALA 721 11.988 10.129 3.407 714 HB3 ALA 721 HB3 ALA 721 11.189 8.565 3.574 715 H GLN 722 HN GLN 722 12.965 6.426 3.392 716 HA GLN 722 HA GLN 722 14.765 7.263 5.422 717 HB2 GLN 722 HB2 GLN 722 13.073 5.496 5.711 718 HB3 GLN 722 HB1 GLN 722 13.944 4.482 4.572 719 HG2 GLN 722 HG2 GLN 722 15.844 4.398 6.086 720 HG3 GLN 722 HG1 GLN 722 14.989 5.435 7.227 721 HE21 GLN 722 HE21 GLN 722 12.410 4.141 6.676 722 HE22 GLN 722 HE22 GLN 722 12.469 2.615 7.488 723 H MET 723 HN MET 723 15.306 6.407 2.226 724 HA MET 723 HA MET 723 17.783 5.008 2.600 725 HB2 MET 723 HB2 MET 723 16.530 6.174 0.119 726 HB3 MET 723 HB1 MET 723 17.988 5.185 0.136 727 HG2 MET 723 HG2 MET 723 15.221 4.356 0.972 728 HG3 MET 723 HG1 MET 723 16.123 3.813 -0.440 729 HE1 MET 723 HE1 MET 723 15.784 0.801 2.241 730 HE2 MET 723 HE2 MET 723 15.170 1.400 0.699 731 HE3 MET 723 HE3 MET 723 14.701 2.191 2.204 732 H GLU 724 HN GLU 724 17.084 8.085 3.198 733 HA GLU 724 HA GLU 724 19.420 9.352 2.122 734 HB2 GLU 724 HB2 GLU 724 18.864 11.182 3.682 735 HB3 GLU 724 HB1 GLU 724 17.476 10.689 2.723 736 HG2 GLU 724 HG2 GLU 724 16.598 9.423 4.596 737 HG3 GLU 724 HG1 GLU 724 18.006 9.859 5.565 738 H GLU 725 HN GLU 725 18.724 7.261 4.717 739 HA GLU 725 HA GLU 725 21.162 7.937 6.170 740 HB2 GLU 725 HB2 GLU 725 18.990 5.911 6.750 741 HB3 GLU 725 HB1 GLU 725 20.385 6.203 7.775 742 HG2 GLU 725 HG2 GLU 725 19.653 8.467 8.193 743 HG3 GLU 725 HG1 GLU 725 18.295 8.254 7.088 Start of MODEL 13 1 H1 GLY 623 HT1 GLY 623 -19.856 -7.149 12.604 2 H2 GLY 623 HT2 GLY 623 -20.787 -7.786 11.349 3 H3 GLY 623 HT3 GLY 623 -21.327 -7.909 12.944 4 HA2 GLY 623 HA1 GLY 623 -22.534 -6.185 11.777 5 HA3 GLY 623 HA2 GLY 623 -21.573 -5.523 13.091 6 H SER 624 HN SER 624 -22.584 -4.344 10.541 7 HA SER 624 HA SER 624 -20.263 -3.860 8.922 8 HB2 SER 624 HB2 SER 624 -22.527 -3.839 7.948 9 HB3 SER 624 HB1 SER 624 -22.954 -2.464 8.962 10 HG SER 624 HG SER 624 -20.996 -2.545 6.898 11 H HIS 625 HN HIS 625 -18.650 -2.741 9.772 12 HA HIS 625 HA HIS 625 -19.275 -0.219 11.155 13 HB2 HIS 625 HB2 HIS 625 -18.358 -1.934 12.696 14 HB3 HIS 625 HB1 HIS 625 -16.932 -2.069 11.676 15 HD1 HIS 625 HD1 HIS 625 -15.093 -1.073 12.988 16 HD2 HIS 625 HD2 HIS 625 -18.551 1.227 13.183 17 HE1 HIS 625 HE1 HIS 625 -14.462 0.990 14.279 18 HE2 HIS 625 HE2 HIS 625 -16.598 2.305 14.492 19 H MET 626 HN MET 626 -19.133 0.977 9.279 20 HA MET 626 HA MET 626 -18.144 2.280 7.713 21 HB2 MET 626 HB2 MET 626 -16.462 2.767 9.442 22 HB3 MET 626 HB1 MET 626 -15.550 1.347 8.956 23 HG2 MET 626 HG2 MET 626 -15.206 2.353 6.738 24 HG3 MET 626 HG1 MET 626 -16.069 3.791 7.280 25 HE1 MET 626 HE1 MET 626 -13.707 5.210 10.038 26 HE2 MET 626 HE2 MET 626 -15.084 4.136 10.267 27 HE3 MET 626 HE3 MET 626 -15.183 5.460 9.108 28 H SER 627 HN SER 627 -19.065 0.720 6.269 29 HA SER 627 HA SER 627 -17.145 -1.105 5.020 30 HB2 SER 627 HB2 SER 627 -20.158 -0.916 4.769 31 HB3 SER 627 HB1 SER 627 -19.149 -2.085 3.915 32 HG SER 627 HG SER 627 -18.492 -2.897 5.940 33 HA PRO 628 HA PRO 628 -16.806 2.000 1.805 34 HB2 PRO 628 HB2 PRO 628 -14.806 0.826 0.455 35 HB3 PRO 628 HB1 PRO 628 -14.533 1.600 2.022 36 HG2 PRO 628 HG2 PRO 628 -14.916 -1.303 1.390 37 HG3 PRO 628 HG1 PRO 628 -13.712 -0.542 2.447 38 HD2 PRO 628 HD2 PRO 628 -15.992 -1.695 3.380 39 HD3 PRO 628 HD1 PRO 628 -15.196 -0.330 4.188 40 H ASP 629 HN ASP 629 -19.022 0.562 1.490 41 HA ASP 629 HA ASP 629 -19.042 -1.296 -0.645 42 HB2 ASP 629 HB2 ASP 629 -20.845 -1.353 0.924 43 HB3 ASP 629 HB1 ASP 629 -21.231 0.341 0.635 44 H ARG 630 HN ARG 630 -19.676 2.174 -0.492 45 HA ARG 630 HA ARG 630 -19.308 2.295 -3.378 46 HB2 ARG 630 HB2 ARG 630 -21.326 3.804 -3.555 47 HB3 ARG 630 HB1 ARG 630 -21.648 2.093 -3.314 48 HG2 ARG 630 HG2 ARG 630 -21.929 2.588 -0.873 49 HG3 ARG 630 HG1 ARG 630 -21.840 4.304 -1.288 50 HD2 ARG 630 HD2 ARG 630 -24.160 3.482 -1.118 51 HD3 ARG 630 HD1 ARG 630 -23.765 4.096 -2.723 52 HE ARG 630 HE ARG 630 -23.574 1.209 -2.214 53 HH11 ARG 630 HH11 ARG 630 -25.173 3.904 -3.775 54 HH12 ARG 630 HH12 ARG 630 -26.027 2.912 -4.910 55 HH21 ARG 630 HH21 ARG 630 -24.703 -0.107 -3.718 56 HH22 ARG 630 HH22 ARG 630 -25.751 0.632 -4.887 57 H CYS 631 HN CYS 631 -18.478 3.463 -0.447 58 HA CYS 631 HA CYS 631 -18.012 6.181 -1.323 59 HB2 CYS 631 HB2 CYS 631 -16.657 6.308 0.823 60 HB3 CYS 631 HB1 CYS 631 -18.375 5.990 1.019 61 HG CYS 631 HG CYS 631 -17.273 4.430 2.919 62 H GLN 632 HN GLN 632 -16.636 6.318 -2.974 63 HA GLN 632 HA GLN 632 -14.140 4.766 -2.807 64 HB2 GLN 632 HB2 GLN 632 -15.610 5.725 -5.270 65 HB3 GLN 632 HB1 GLN 632 -14.079 4.859 -5.276 66 HG2 GLN 632 HG2 GLN 632 -16.635 3.746 -4.138 67 HG3 GLN 632 HG1 GLN 632 -16.081 3.463 -5.787 68 HE21 GLN 632 HE21 GLN 632 -15.498 2.803 -2.411 69 HE22 GLN 632 HE22 GLN 632 -14.424 1.473 -2.661 70 H ASP 633 HN ASP 633 -15.037 7.595 -1.950 71 HA ASP 633 HA ASP 633 -13.629 9.469 -3.512 72 HB2 ASP 633 HB2 ASP 633 -14.503 9.523 -0.623 73 HB3 ASP 633 HB1 ASP 633 -13.705 10.884 -1.400 74 H TRP 634 HN TRP 634 -12.636 7.314 -0.962 75 HA TRP 634 HA TRP 634 -10.219 8.670 -0.360 76 HB2 TRP 634 HB2 TRP 634 -9.599 6.557 0.846 77 HB3 TRP 634 HB1 TRP 634 -11.109 7.295 1.360 78 HD1 TRP 634 HD1 TRP 634 -13.366 5.953 0.865 79 HE1 TRP 634 HE1 TRP 634 -13.813 3.494 0.281 80 HE3 TRP 634 HE3 TRP 634 -8.624 4.560 -0.437 81 HZ2 TRP 634 HZ2 TRP 634 -12.346 1.247 -0.602 82 HZ3 TRP 634 HZ3 TRP 634 -8.231 2.237 -1.130 83 HH2 TRP 634 HH2 TRP 634 -10.050 0.616 -1.213 84 H LEU 635 HN LEU 635 -11.132 6.464 -2.843 85 HA LEU 635 HA LEU 635 -8.583 5.490 -3.574 86 HB2 LEU 635 HB2 LEU 635 -11.082 6.048 -5.162 87 HB3 LEU 635 HB1 LEU 635 -9.617 5.508 -5.951 88 HG LEU 635 HG LEU 635 -11.069 3.630 -5.645 89 HD11 LEU 635 HD11 LEU 635 -9.649 2.121 -4.441 90 HD12 LEU 635 HD12 LEU 635 -8.880 3.459 -3.592 91 HD13 LEU 635 HD13 LEU 635 -8.655 3.273 -5.332 92 HD21 LEU 635 HD21 LEU 635 -11.838 2.882 -3.472 93 HD22 LEU 635 HD22 LEU 635 -12.423 4.509 -3.819 94 HD23 LEU 635 HD23 LEU 635 -11.076 4.276 -2.705 95 H GLU 636 HN GLU 636 -10.356 8.394 -4.413 96 HA GLU 636 HA GLU 636 -8.300 9.467 -6.084 97 HB2 GLU 636 HB2 GLU 636 -10.685 10.794 -4.786 98 HB3 GLU 636 HB1 GLU 636 -9.683 11.511 -6.041 99 HG2 GLU 636 HG2 GLU 636 -11.449 9.091 -6.291 100 HG3 GLU 636 HG1 GLU 636 -11.705 10.676 -7.019 101 H ALA 637 HN ALA 637 -9.425 10.002 -2.786 102 HA ALA 637 HA ALA 637 -7.768 12.120 -2.080 103 HB1 ALA 637 HB1 ALA 637 -8.262 11.593 0.182 104 HB2 ALA 637 HB2 ALA 637 -8.638 9.922 -0.229 105 HB3 ALA 637 HB3 ALA 637 -9.700 11.222 -0.770 106 H LEU 638 HN LEU 638 -7.161 8.638 -1.988 107 HA LEU 638 HA LEU 638 -4.716 8.720 -0.607 108 HB2 LEU 638 HB2 LEU 638 -6.053 6.677 -0.972 109 HB3 LEU 638 HB1 LEU 638 -5.645 6.728 -2.674 110 HG LEU 638 HG LEU 638 -3.241 6.455 -2.056 111 HD11 LEU 638 HD11 LEU 638 -3.238 7.279 0.192 112 HD12 LEU 638 HD12 LEU 638 -2.768 5.580 0.220 113 HD13 LEU 638 HD13 LEU 638 -4.400 6.051 0.693 114 HD21 LEU 638 HD21 LEU 638 -5.110 4.288 -1.116 115 HD22 LEU 638 HD22 LEU 638 -3.416 4.074 -1.555 116 HD23 LEU 638 HD23 LEU 638 -4.589 4.563 -2.779 117 H HIS 639 HN HIS 639 -5.500 9.501 -3.876 118 HA HIS 639 HA HIS 639 -2.830 9.097 -4.891 119 HB2 HIS 639 HB2 HIS 639 -5.025 8.940 -6.222 120 HB3 HIS 639 HB1 HIS 639 -5.001 10.700 -6.234 121 HD1 HIS 639 HD1 HIS 639 -3.811 11.723 -8.153 122 HD2 HIS 639 HD2 HIS 639 -2.545 7.831 -7.422 123 HE1 HIS 639 HE1 HIS 639 -2.205 11.173 -10.005 124 HE2 HIS 639 HE2 HIS 639 -1.301 8.898 -9.418 125 H TRP 640 HN TRP 640 -4.428 11.485 -3.130 126 HA TRP 640 HA TRP 640 -2.341 13.467 -3.774 127 HB2 TRP 640 HB2 TRP 640 -5.131 13.920 -2.682 128 HB3 TRP 640 HB1 TRP 640 -3.925 15.178 -2.912 129 HD1 TRP 640 HD1 TRP 640 -6.031 12.699 -4.996 130 HE1 TRP 640 HE1 TRP 640 -6.382 13.705 -7.335 131 HE3 TRP 640 HE3 TRP 640 -3.100 16.874 -4.536 132 HZ2 TRP 640 HZ2 TRP 640 -5.540 15.969 -8.789 133 HZ3 TRP 640 HZ3 TRP 640 -2.932 18.405 -6.457 134 HH2 TRP 640 HH2 TRP 640 -4.126 17.960 -8.535 135 H TYR 641 HN TYR 641 -2.740 11.132 -1.744 136 HA TYR 641 HA TYR 641 -2.560 12.626 0.772 137 HB2 TYR 641 HB2 TYR 641 -4.103 10.505 0.198 138 HB3 TYR 641 HB1 TYR 641 -2.660 9.652 0.737 139 HD1 TYR 641 HD1 TYR 641 -2.122 9.494 3.027 140 HD2 TYR 641 HD2 TYR 641 -5.231 12.106 1.765 141 HE1 TYR 641 HE1 TYR 641 -2.793 9.813 5.370 142 HE2 TYR 641 HE2 TYR 641 -5.912 12.431 4.104 143 HH TYR 641 HH TYR 641 -5.717 11.147 6.275 144 H ASN 642 HN ASN 642 -0.365 13.300 0.175 145 HA ASN 642 HA ASN 642 1.690 11.270 0.056 146 HB2 ASN 642 HB2 ASN 642 1.885 13.355 -1.274 147 HB3 ASN 642 HB1 ASN 642 1.972 14.280 0.221 148 HD21 ASN 642 HD21 ASN 642 3.639 12.061 -1.879 149 HD22 ASN 642 HD22 ASN 642 5.202 12.251 -1.166 150 H THR 643 HN THR 643 1.772 10.223 1.991 151 HA THR 643 HA THR 643 2.679 11.835 4.274 152 HB THR 643 HB THR 643 1.559 10.077 5.740 153 HG1 THR 643 HG1 THR 643 1.155 8.782 3.651 154 HG21 THR 643 HG21 THR 643 -0.653 11.159 5.599 155 HG22 THR 643 HG22 THR 643 -0.179 11.896 4.069 156 HG23 THR 643 HG23 THR 643 0.665 12.328 5.555 157 H ALA 644 HN ALA 644 4.621 11.250 4.958 158 HA ALA 644 HA ALA 644 5.446 8.449 4.611 159 HB1 ALA 644 HB1 ALA 644 7.728 9.156 4.318 160 HB2 ALA 644 HB2 ALA 644 7.288 10.836 4.615 161 HB3 ALA 644 HB3 ALA 644 6.714 10.021 3.166 162 H LEU 645 HN LEU 645 6.577 11.287 6.473 163 HA LEU 645 HA LEU 645 7.185 9.579 8.711 164 HB2 LEU 645 HB2 LEU 645 7.398 12.561 8.338 165 HB3 LEU 645 HB1 LEU 645 7.878 11.727 9.803 166 HG LEU 645 HG LEU 645 9.093 11.294 7.074 167 HD11 LEU 645 HD11 LEU 645 9.632 13.482 8.038 168 HD12 LEU 645 HD12 LEU 645 11.041 12.424 7.980 169 HD13 LEU 645 HD13 LEU 645 10.198 12.687 9.506 170 HD21 LEU 645 HD21 LEU 645 9.781 10.153 9.780 171 HD22 LEU 645 HD22 LEU 645 10.798 10.019 8.348 172 HD23 LEU 645 HD23 LEU 645 9.205 9.266 8.367 173 H GLU 646 HN GLU 646 4.579 11.591 7.718 174 HA GLU 646 HA GLU 646 3.482 11.998 10.324 175 HB2 GLU 646 HB2 GLU 646 3.043 13.520 8.405 176 HB3 GLU 646 HB1 GLU 646 2.129 12.233 7.631 177 HG2 GLU 646 HG2 GLU 646 0.484 12.273 9.369 178 HG3 GLU 646 HG1 GLU 646 1.442 13.414 10.311 179 H MET 647 HN MET 647 3.272 10.032 11.313 180 HA MET 647 HA MET 647 2.044 7.770 10.138 181 HB2 MET 647 HB2 MET 647 2.507 8.533 13.020 182 HB3 MET 647 HB1 MET 647 1.803 6.997 12.537 183 HG2 MET 647 HG2 MET 647 3.822 6.456 11.285 184 HG3 MET 647 HG1 MET 647 4.530 8.000 11.756 185 HE1 MET 647 HE1 MET 647 4.922 7.560 15.628 186 HE2 MET 647 HE2 MET 647 3.562 8.280 14.768 187 HE3 MET 647 HE3 MET 647 5.212 8.617 14.247 188 H THR 648 HN THR 648 0.077 7.962 9.340 189 HA THR 648 HA THR 648 -1.907 9.607 10.628 190 HB THR 648 HB THR 648 -3.298 8.794 8.607 191 HG1 THR 648 HG1 THR 648 -2.173 7.112 7.784 192 HG21 THR 648 HG21 THR 648 -2.194 10.418 7.138 193 HG22 THR 648 HG22 THR 648 -0.781 10.412 8.191 194 HG23 THR 648 HG23 THR 648 -2.323 11.030 8.785 195 H ASP 649 HN ASP 649 -2.121 8.314 12.554 196 HA ASP 649 HA ASP 649 -3.455 5.752 12.334 197 HB2 ASP 649 HB2 ASP 649 -2.914 7.532 14.729 198 HB3 ASP 649 HB1 ASP 649 -3.698 5.962 14.827 199 H CYS 650 HN CYS 650 -4.908 7.269 10.834 200 HA CYS 650 HA CYS 650 -6.892 8.764 12.351 201 HB2 CYS 650 HB2 CYS 650 -6.639 8.436 9.355 202 HB3 CYS 650 HB1 CYS 650 -7.620 9.623 10.205 203 HG CYS 650 HG CYS 650 -4.751 10.207 11.404 204 H ASP 651 HN ASP 651 -6.821 5.845 12.513 205 HA ASP 651 HA ASP 651 -9.640 5.444 11.974 206 HB2 ASP 651 HB2 ASP 651 -8.526 4.559 9.949 207 HB3 ASP 651 HB1 ASP 651 -7.578 3.475 10.965 208 H GLU 652 HN GLU 652 -10.585 4.435 13.617 209 HA GLU 652 HA GLU 652 -8.872 3.482 15.770 210 HB2 GLU 652 HB2 GLU 652 -11.831 4.074 15.671 211 HB3 GLU 652 HB1 GLU 652 -10.970 3.535 17.106 212 HG2 GLU 652 HG2 GLU 652 -10.539 6.108 15.607 213 HG3 GLU 652 HG1 GLU 652 -11.288 5.916 17.191 214 H GLY 653 HN GLY 653 -8.976 1.783 13.555 215 HA2 GLY 653 HA2 GLY 653 -9.059 -0.497 13.251 216 HA3 GLY 653 HA1 GLY 653 -9.773 -0.644 14.849 217 H GLY 654 HN GLY 654 -10.797 0.945 11.830 218 HA2 GLY 654 HA2 GLY 654 -13.392 -0.425 12.134 219 HA3 GLY 654 HA1 GLY 654 -13.136 1.071 11.247 220 H GLU 655 HN GLU 655 -13.525 0.711 9.195 221 HA GLU 655 HA GLU 655 -13.510 -0.137 7.109 222 HB2 GLU 655 HB2 GLU 655 -11.087 0.276 7.421 223 HB3 GLU 655 HB1 GLU 655 -10.898 -1.384 7.969 224 HG2 GLU 655 HG2 GLU 655 -11.516 -2.234 5.827 225 HG3 GLU 655 HG1 GLU 655 -11.955 -0.623 5.261 226 H TYR 656 HN TYR 656 -15.337 -1.428 7.528 227 HA TYR 656 HA TYR 656 -14.793 -4.297 7.799 228 HB2 TYR 656 HB2 TYR 656 -16.566 -3.295 9.244 229 HB3 TYR 656 HB1 TYR 656 -17.459 -2.861 7.792 230 HD1 TYR 656 HD1 TYR 656 -16.032 -5.820 9.558 231 HD2 TYR 656 HD2 TYR 656 -19.022 -4.352 6.911 232 HE1 TYR 656 HE1 TYR 656 -17.129 -8.018 9.587 233 HE2 TYR 656 HE2 TYR 656 -20.126 -6.550 6.935 234 HH TYR 656 HH TYR 656 -19.382 -8.958 9.187 235 H ASP 657 HN ASP 657 -13.824 -4.375 5.725 236 HA ASP 657 HA ASP 657 -15.500 -3.878 3.403 237 HB2 ASP 657 HB2 ASP 657 -13.488 -4.266 2.106 238 HB3 ASP 657 HB1 ASP 657 -13.111 -3.171 3.434 239 H GLY 658 HN GLY 658 -14.552 -5.820 1.676 240 HA2 GLY 658 HA2 GLY 658 -16.232 -8.012 2.399 241 HA3 GLY 658 HA1 GLY 658 -15.252 -7.891 0.947 242 H MET 659 HN MET 659 -12.737 -7.592 2.092 243 HA MET 659 HA MET 659 -10.971 -8.968 2.444 244 HB2 MET 659 HB2 MET 659 -11.727 -8.550 4.775 245 HB3 MET 659 HB1 MET 659 -12.674 -10.031 4.705 246 HG2 MET 659 HG2 MET 659 -10.553 -10.369 5.858 247 HG3 MET 659 HG1 MET 659 -10.659 -11.337 4.389 248 HE1 MET 659 HE1 MET 659 -7.989 -10.812 5.965 249 HE2 MET 659 HE2 MET 659 -6.841 -10.407 4.686 250 HE3 MET 659 HE3 MET 659 -7.981 -11.734 4.460 251 H GLN 660 HN GLN 660 -11.088 -10.128 0.551 252 HA GLN 660 HA GLN 660 -12.942 -12.294 0.237 253 HB2 GLN 660 HB2 GLN 660 -10.692 -11.398 -1.560 254 HB3 GLN 660 HB1 GLN 660 -11.986 -12.502 -2.001 255 HG2 GLN 660 HG2 GLN 660 -13.621 -10.714 -1.664 256 HG3 GLN 660 HG1 GLN 660 -12.320 -9.610 -1.229 257 HE21 GLN 660 HE21 GLN 660 -10.518 -10.732 -3.257 258 HE22 GLN 660 HE22 GLN 660 -11.074 -10.115 -4.771 259 H ASP 661 HN ASP 661 -11.640 -13.057 2.328 260 HA ASP 661 HA ASP 661 -10.728 -14.881 3.289 261 HB2 ASP 661 HB2 ASP 661 -12.012 -16.050 1.488 262 HB3 ASP 661 HB1 ASP 661 -10.542 -16.065 0.520 263 H GLU 662 HN GLU 662 -8.920 -15.012 0.219 264 HA GLU 662 HA GLU 662 -6.450 -14.983 1.798 265 HB2 GLU 662 HB2 GLU 662 -6.953 -15.833 -1.058 266 HB3 GLU 662 HB1 GLU 662 -5.388 -15.874 -0.257 267 HG2 GLU 662 HG2 GLU 662 -7.821 -17.421 0.602 268 HG3 GLU 662 HG1 GLU 662 -6.467 -18.069 -0.323 269 HA PRO 663 HA PRO 663 -6.202 -10.798 0.141 270 HB2 PRO 663 HB2 PRO 663 -4.433 -9.842 1.921 271 HB3 PRO 663 HB1 PRO 663 -6.131 -10.106 2.341 272 HG2 PRO 663 HG2 PRO 663 -3.740 -11.797 2.967 273 HG3 PRO 663 HG1 PRO 663 -5.142 -11.408 3.988 274 HD2 PRO 663 HD2 PRO 663 -4.824 -13.769 2.578 275 HD3 PRO 663 HD1 PRO 663 -6.395 -13.115 3.104 276 H ARG 664 HN ARG 664 -5.046 -10.479 -1.685 277 HA ARG 664 HA ARG 664 -2.435 -11.639 -2.024 278 HB2 ARG 664 HB2 ARG 664 -2.462 -10.659 -4.248 279 HB3 ARG 664 HB1 ARG 664 -3.994 -11.452 -3.922 280 HG2 ARG 664 HG2 ARG 664 -4.987 -9.264 -3.409 281 HG3 ARG 664 HG1 ARG 664 -3.455 -8.495 -3.815 282 HD2 ARG 664 HD2 ARG 664 -5.087 -10.183 -5.705 283 HD3 ARG 664 HD1 ARG 664 -5.116 -8.423 -5.649 284 HE ARG 664 HE ARG 664 -2.584 -9.820 -6.161 285 HH11 ARG 664 HH11 ARG 664 -5.171 -7.723 -7.262 286 HH12 ARG 664 HH12 ARG 664 -4.297 -7.166 -8.653 287 HH21 ARG 664 HH21 ARG 664 -1.429 -9.071 -7.986 288 HH22 ARG 664 HH22 ARG 664 -2.167 -7.927 -9.060 289 H TYR 665 HN TYR 665 -3.704 -8.500 -1.181 290 HA TYR 665 HA TYR 665 -1.446 -6.952 -1.814 291 HB2 TYR 665 HB2 TYR 665 -2.434 -5.270 -0.243 292 HB3 TYR 665 HB1 TYR 665 -3.557 -5.857 -1.469 293 HD1 TYR 665 HD1 TYR 665 -5.376 -7.417 -0.821 294 HD2 TYR 665 HD2 TYR 665 -2.824 -5.629 2.058 295 HE1 TYR 665 HE1 TYR 665 -6.978 -8.003 0.951 296 HE2 TYR 665 HE2 TYR 665 -4.409 -6.213 3.840 297 HH TYR 665 HH TYR 665 -7.084 -8.325 3.305 298 H MET 666 HN MET 666 -2.218 -8.896 0.984 299 HA MET 666 HA MET 666 -0.143 -7.821 2.636 300 HB2 MET 666 HB2 MET 666 -1.908 -10.250 2.819 301 HB3 MET 666 HB1 MET 666 -0.553 -10.034 3.929 302 HG2 MET 666 HG2 MET 666 -1.497 -7.931 4.702 303 HG3 MET 666 HG1 MET 666 -2.831 -8.092 3.563 304 HE1 MET 666 HE1 MET 666 -4.516 -8.669 7.066 305 HE2 MET 666 HE2 MET 666 -4.674 -7.826 5.528 306 HE3 MET 666 HE3 MET 666 -3.287 -7.505 6.569 307 H MET 667 HN MET 667 -0.397 -10.391 0.289 308 HA MET 667 HA MET 667 2.111 -11.597 0.947 309 HB2 MET 667 HB2 MET 667 0.140 -12.629 -0.372 310 HB3 MET 667 HB1 MET 667 0.766 -11.739 -1.747 311 HG2 MET 667 HG2 MET 667 2.382 -13.729 -0.168 312 HG3 MET 667 HG1 MET 667 1.462 -14.136 -1.611 313 HE1 MET 667 HE1 MET 667 2.179 -13.535 -4.060 314 HE2 MET 667 HE2 MET 667 3.309 -12.231 -4.425 315 HE3 MET 667 HE3 MET 667 1.798 -11.880 -3.589 316 H LEU 668 HN LEU 668 0.960 -9.310 -1.494 317 HA LEU 668 HA LEU 668 3.418 -8.792 -2.749 318 HB2 LEU 668 HB2 LEU 668 0.864 -7.262 -2.460 319 HB3 LEU 668 HB1 LEU 668 2.269 -6.444 -3.111 320 HG LEU 668 HG LEU 668 2.372 -7.996 -4.974 321 HD11 LEU 668 HD11 LEU 668 1.586 -10.014 -3.841 322 HD12 LEU 668 HD12 LEU 668 0.692 -9.713 -5.329 323 HD13 LEU 668 HD13 LEU 668 -0.040 -9.340 -3.768 324 HD21 LEU 668 HD21 LEU 668 0.918 -6.029 -5.137 325 HD22 LEU 668 HD22 LEU 668 -0.439 -6.997 -4.559 326 HD23 LEU 668 HD23 LEU 668 0.325 -7.378 -6.103 327 H ALA 669 HN ALA 669 1.964 -7.479 0.185 328 HA ALA 669 HA ALA 669 3.961 -5.431 0.490 329 HB1 ALA 669 HB1 ALA 669 1.684 -5.132 1.351 330 HB2 ALA 669 HB2 ALA 669 2.897 -4.982 2.624 331 HB3 ALA 669 HB3 ALA 669 1.945 -6.460 2.481 332 H ARG 670 HN ARG 670 3.400 -8.692 1.698 333 HA ARG 670 HA ARG 670 5.504 -8.756 3.588 334 HB2 ARG 670 HB2 ARG 670 3.755 -10.490 3.489 335 HB3 ARG 670 HB1 ARG 670 4.353 -11.004 1.916 336 HG2 ARG 670 HG2 ARG 670 6.500 -11.607 2.963 337 HG3 ARG 670 HG1 ARG 670 5.827 -11.174 4.535 338 HD2 ARG 670 HD2 ARG 670 4.070 -12.875 4.217 339 HD3 ARG 670 HD1 ARG 670 4.818 -13.332 2.685 340 HE ARG 670 HE ARG 670 6.730 -13.462 4.756 341 HH11 ARG 670 HH11 ARG 670 3.907 -15.163 3.566 342 HH12 ARG 670 HH12 ARG 670 4.410 -16.694 4.209 343 HH21 ARG 670 HH21 ARG 670 7.382 -15.468 5.603 344 HH22 ARG 670 HH22 ARG 670 6.383 -16.871 5.372 345 H GLU 671 HN GLU 671 5.303 -9.363 0.129 346 HA GLU 671 HA GLU 671 7.944 -10.262 -0.276 347 HB2 GLU 671 HB2 GLU 671 5.953 -10.402 -1.865 348 HB3 GLU 671 HB1 GLU 671 6.231 -8.705 -2.222 349 HG2 GLU 671 HG2 GLU 671 7.204 -10.098 -3.927 350 HG3 GLU 671 HG1 GLU 671 8.467 -9.247 -3.039 351 H ALA 672 HN ALA 672 6.396 -7.087 -0.613 352 HA ALA 672 HA ALA 672 8.641 -5.549 -1.178 353 HB1 ALA 672 HB1 ALA 672 6.257 -4.723 0.472 354 HB2 ALA 672 HB2 ALA 672 6.311 -4.752 -1.288 355 HB3 ALA 672 HB3 ALA 672 7.361 -3.656 -0.392 356 H GLU 673 HN GLU 673 7.361 -6.621 1.930 357 HA GLU 673 HA GLU 673 9.115 -5.124 3.556 358 HB2 GLU 673 HB2 GLU 673 6.995 -6.190 4.315 359 HB3 GLU 673 HB1 GLU 673 7.772 -7.760 4.180 360 HG2 GLU 673 HG2 GLU 673 9.328 -7.198 5.915 361 HG3 GLU 673 HG1 GLU 673 8.717 -5.544 5.981 362 H MET 674 HN MET 674 9.303 -8.363 2.143 363 HA MET 674 HA MET 674 11.832 -8.972 3.362 364 HB2 MET 674 HB2 MET 674 10.444 -10.253 0.997 365 HB3 MET 674 HB1 MET 674 11.900 -10.871 1.760 366 HG2 MET 674 HG2 MET 674 10.581 -11.057 3.888 367 HG3 MET 674 HG1 MET 674 9.143 -10.685 2.938 368 HE1 MET 674 HE1 MET 674 9.105 -13.703 0.402 369 HE2 MET 674 HE2 MET 674 9.893 -12.143 0.174 370 HE3 MET 674 HE3 MET 674 8.289 -12.223 0.902 371 H LEU 675 HN LEU 675 10.838 -7.159 0.610 372 HA LEU 675 HA LEU 675 13.447 -7.249 -0.640 373 HB2 LEU 675 HB2 LEU 675 10.819 -6.041 -1.246 374 HB3 LEU 675 HB1 LEU 675 12.210 -5.133 -1.803 375 HG LEU 675 HG LEU 675 11.291 -6.614 -3.543 376 HD11 LEU 675 HD11 LEU 675 14.045 -7.318 -2.562 377 HD12 LEU 675 HD12 LEU 675 13.607 -6.021 -3.675 378 HD13 LEU 675 HD13 LEU 675 13.413 -7.707 -4.159 379 HD21 LEU 675 HD21 LEU 675 10.487 -8.414 -2.090 380 HD22 LEU 675 HD22 LEU 675 12.154 -8.865 -1.732 381 HD23 LEU 675 HD23 LEU 675 11.532 -9.021 -3.373 382 H PHE 676 HN PHE 676 11.712 -5.256 1.622 383 HA PHE 676 HA PHE 676 13.615 -3.093 1.436 384 HB2 PHE 676 HB2 PHE 676 11.162 -2.787 1.987 385 HB3 PHE 676 HB1 PHE 676 11.504 -3.491 3.570 386 HD1 PHE 676 HD1 PHE 676 11.991 -2.079 5.304 387 HD2 PHE 676 HD2 PHE 676 12.749 -0.768 1.325 388 HE1 PHE 676 HE1 PHE 676 12.655 0.130 6.160 389 HE2 PHE 676 HE2 PHE 676 13.411 1.440 2.175 390 HZ PHE 676 HZ PHE 676 13.337 1.917 4.554 391 H THR 677 HN THR 677 12.777 -5.510 3.954 392 HA THR 677 HA THR 677 15.146 -4.755 5.448 393 HB THR 677 HB THR 677 14.366 -6.423 7.105 394 HG1 THR 677 HG1 THR 677 12.188 -6.772 5.280 395 HG21 THR 677 HG21 THR 677 12.343 -5.236 7.794 396 HG22 THR 677 HG22 THR 677 12.221 -4.505 6.194 397 HG23 THR 677 HG23 THR 677 13.582 -4.108 7.245 398 H GLY 678 HN GLY 678 14.394 -6.930 2.991 399 HA2 GLY 678 HA2 GLY 678 15.905 -8.400 1.954 400 HA3 GLY 678 HA1 GLY 678 16.903 -8.355 3.406 401 H GLY 679 HN GLY 679 16.830 -10.777 2.812 402 HA2 GLY 679 HA2 GLY 679 15.538 -12.214 4.730 403 HA3 GLY 679 HA1 GLY 679 14.382 -12.143 3.409 404 H TYR 680 HN TYR 680 14.793 -14.534 3.722 405 HA TYR 680 HA TYR 680 17.245 -15.673 2.869 406 HB2 TYR 680 HB2 TYR 680 14.476 -16.901 2.961 407 HB3 TYR 680 HB1 TYR 680 15.985 -17.797 2.780 408 HD1 TYR 680 HD1 TYR 680 17.703 -17.596 4.675 409 HD2 TYR 680 HD2 TYR 680 13.637 -16.419 5.084 410 HE1 TYR 680 HE1 TYR 680 17.911 -17.751 7.118 411 HE2 TYR 680 HE2 TYR 680 13.835 -16.570 7.531 412 HH TYR 680 HH TYR 680 15.243 -17.738 9.196 413 H GLY 681 HN GLY 681 17.858 -14.814 0.908 414 HA2 GLY 681 HA2 GLY 681 18.086 -15.246 -1.392 415 HA3 GLY 681 HA1 GLY 681 16.482 -15.973 -1.393 416 H LEU 682 HN LEU 682 16.416 -13.046 0.256 417 HA LEU 682 HA LEU 682 15.345 -11.734 -2.143 418 HB2 LEU 682 HB2 LEU 682 14.687 -11.427 0.766 419 HB3 LEU 682 HB1 LEU 682 14.292 -10.166 -0.381 420 HG LEU 682 HG LEU 682 12.318 -11.416 -0.094 421 HD11 LEU 682 HD11 LEU 682 13.532 -12.534 -2.605 422 HD12 LEU 682 HD12 LEU 682 12.933 -10.884 -2.441 423 HD13 LEU 682 HD13 LEU 682 11.827 -12.244 -2.263 424 HD21 LEU 682 HD21 LEU 682 12.169 -13.830 -0.303 425 HD22 LEU 682 HD22 LEU 682 13.293 -13.381 0.979 426 HD23 LEU 682 HD23 LEU 682 13.908 -13.927 -0.582 427 H GLU 683 HN GLU 683 16.503 -10.207 -3.008 428 HA GLU 683 HA GLU 683 18.737 -9.000 -1.646 429 HB2 GLU 683 HB2 GLU 683 18.971 -9.517 -3.989 430 HB3 GLU 683 HB1 GLU 683 17.521 -8.608 -4.385 431 HG2 GLU 683 HG2 GLU 683 18.670 -6.543 -3.662 432 HG3 GLU 683 HG1 GLU 683 20.136 -7.490 -3.402 433 H LYS 684 HN LYS 684 18.612 -7.169 -0.450 434 HA LYS 684 HA LYS 684 16.127 -5.784 -0.263 435 HB2 LYS 684 HB2 LYS 684 17.127 -4.401 1.402 436 HB3 LYS 684 HB1 LYS 684 17.701 -6.038 1.666 437 HG2 LYS 684 HG2 LYS 684 19.828 -5.465 0.601 438 HG3 LYS 684 HG1 LYS 684 19.247 -3.819 0.335 439 HD2 LYS 684 HD2 LYS 684 19.633 -5.169 3.008 440 HD3 LYS 684 HD1 LYS 684 20.672 -3.925 2.311 441 HE2 LYS 684 HE2 LYS 684 18.749 -2.358 2.337 442 HE3 LYS 684 HE1 LYS 684 17.776 -3.606 3.112 443 HZ1 LYS 684 HZ1 LYS 684 19.337 -3.597 4.973 444 HZ2 LYS 684 HZ2 LYS 684 18.639 -2.070 4.743 445 HZ3 LYS 684 HZ3 LYS 684 20.223 -2.360 4.233 446 H ASP 685 HN ASP 685 15.416 -4.097 -1.339 447 HA ASP 685 HA ASP 685 17.235 -2.356 -2.798 448 HB2 ASP 685 HB2 ASP 685 16.889 -4.294 -4.313 449 HB3 ASP 685 HB1 ASP 685 15.149 -4.009 -4.250 450 HA PRO 686 HA PRO 686 13.935 0.187 -0.967 451 HB2 PRO 686 HB2 PRO 686 15.509 2.231 -2.472 452 HB3 PRO 686 HB1 PRO 686 14.913 2.272 -0.806 453 HG2 PRO 686 HG2 PRO 686 17.480 1.798 -1.311 454 HG3 PRO 686 HG1 PRO 686 16.632 0.921 -0.020 455 HD2 PRO 686 HD2 PRO 686 17.443 -0.027 -2.743 456 HD3 PRO 686 HD1 PRO 686 17.383 -0.921 -1.203 457 H GLN 687 HN GLN 687 14.969 0.259 -4.347 458 HA GLN 687 HA GLN 687 12.771 1.813 -5.293 459 HB2 GLN 687 HB2 GLN 687 15.048 1.366 -6.418 460 HB3 GLN 687 HB1 GLN 687 14.358 -0.160 -6.932 461 HG2 GLN 687 HG2 GLN 687 13.103 2.488 -7.580 462 HG3 GLN 687 HG1 GLN 687 14.331 1.743 -8.596 463 HE21 GLN 687 HE21 GLN 687 11.023 1.731 -7.633 464 HE22 GLN 687 HE22 GLN 687 10.487 0.512 -8.732 465 H ARG 688 HN ARG 688 13.526 -1.664 -5.295 466 HA ARG 688 HA ARG 688 11.104 -2.472 -6.533 467 HB2 ARG 688 HB2 ARG 688 13.446 -3.680 -6.118 468 HB3 ARG 688 HB1 ARG 688 12.605 -4.283 -4.700 469 HG2 ARG 688 HG2 ARG 688 10.934 -5.326 -6.058 470 HG3 ARG 688 HG1 ARG 688 11.602 -4.591 -7.518 471 HD2 ARG 688 HD2 ARG 688 12.860 -6.680 -5.759 472 HD3 ARG 688 HD1 ARG 688 12.380 -6.838 -7.448 473 HE ARG 688 HE ARG 688 14.167 -4.898 -7.653 474 HH11 ARG 688 HH11 ARG 688 14.339 -7.937 -5.923 475 HH12 ARG 688 HH12 ARG 688 16.072 -7.983 -5.930 476 HH21 ARG 688 HH21 ARG 688 16.446 -4.954 -7.654 477 HH22 ARG 688 HH22 ARG 688 17.278 -6.280 -6.893 478 H SER 689 HN SER 689 12.208 -2.130 -3.207 479 HA SER 689 HA SER 689 10.076 -3.225 -1.836 480 HB2 SER 689 HB2 SER 689 11.582 -0.713 -1.072 481 HB3 SER 689 HB1 SER 689 10.688 -1.774 0.018 482 HG SER 689 HG SER 689 12.981 -2.488 -1.502 483 H GLY 690 HN GLY 690 10.415 0.203 -2.971 484 HA2 GLY 690 HA2 GLY 690 7.843 0.930 -2.060 485 HA3 GLY 690 HA1 GLY 690 8.845 1.815 -3.209 486 H ASP 691 HN ASP 691 9.073 -0.372 -5.095 487 HA ASP 691 HA ASP 691 6.768 0.151 -6.665 488 HB2 ASP 691 HB2 ASP 691 8.965 -0.531 -7.622 489 HB3 ASP 691 HB1 ASP 691 8.737 -2.144 -6.948 490 H LEU 692 HN LEU 692 7.721 -2.616 -4.662 491 HA LEU 692 HA LEU 692 5.353 -4.106 -5.253 492 HB2 LEU 692 HB2 LEU 692 7.517 -4.403 -3.189 493 HB3 LEU 692 HB1 LEU 692 6.135 -5.480 -3.261 494 HG LEU 692 HG LEU 692 7.954 -5.067 -5.619 495 HD11 LEU 692 HD11 LEU 692 9.058 -7.166 -4.938 496 HD12 LEU 692 HD12 LEU 692 8.174 -7.109 -3.413 497 HD13 LEU 692 HD13 LEU 692 9.341 -5.848 -3.800 498 HD21 LEU 692 HD21 LEU 692 5.799 -6.026 -6.129 499 HD22 LEU 692 HD22 LEU 692 5.978 -7.202 -4.825 500 HD23 LEU 692 HD23 LEU 692 7.033 -7.282 -6.238 501 H TYR 693 HN TYR 693 6.346 -1.930 -2.632 502 HA TYR 693 HA TYR 693 4.074 -2.400 -1.013 503 HB2 TYR 693 HB2 TYR 693 6.128 -0.238 -1.146 504 HB3 TYR 693 HB1 TYR 693 4.628 0.096 -0.273 505 HD1 TYR 693 HD1 TYR 693 3.941 -2.079 1.272 506 HD2 TYR 693 HD2 TYR 693 7.879 -0.860 0.227 507 HE1 TYR 693 HE1 TYR 693 4.817 -3.193 3.280 508 HE2 TYR 693 HE2 TYR 693 8.765 -1.977 2.223 509 HH TYR 693 HH TYR 693 6.814 -4.053 4.195 510 H THR 694 HN THR 694 4.655 -0.181 -3.708 511 HA THR 694 HA THR 694 2.152 1.175 -3.361 512 HB THR 694 HB THR 694 2.578 1.994 -5.738 513 HG1 THR 694 HG1 THR 694 5.210 1.045 -5.375 514 HG21 THR 694 HG21 THR 694 3.163 3.296 -3.741 515 HG22 THR 694 HG22 THR 694 4.326 3.540 -5.041 516 HG23 THR 694 HG23 THR 694 4.731 2.492 -3.680 517 H GLN 695 HN GLN 695 3.310 -1.554 -5.281 518 HA GLN 695 HA GLN 695 0.909 -1.941 -6.738 519 HB2 GLN 695 HB2 GLN 695 3.094 -2.975 -7.333 520 HB3 GLN 695 HB1 GLN 695 2.971 -3.998 -5.910 521 HG2 GLN 695 HG2 GLN 695 2.326 -5.242 -7.862 522 HG3 GLN 695 HG1 GLN 695 0.922 -4.998 -6.823 523 HE21 GLN 695 HE21 GLN 695 2.288 -2.540 -8.937 524 HE22 GLN 695 HE22 GLN 695 0.940 -2.467 -10.020 525 H ALA 696 HN ALA 696 2.112 -3.122 -3.620 526 HA ALA 696 HA ALA 696 -0.082 -4.745 -2.975 527 HB1 ALA 696 HB1 ALA 696 0.707 -4.631 -0.692 528 HB2 ALA 696 HB2 ALA 696 1.724 -3.244 -1.085 529 HB3 ALA 696 HB3 ALA 696 2.074 -4.822 -1.790 530 H ALA 697 HN ALA 697 0.534 -1.256 -2.432 531 HA ALA 697 HA ALA 697 -1.801 -0.822 -0.902 532 HB1 ALA 697 HB1 ALA 697 0.127 0.742 -0.986 533 HB2 ALA 697 HB2 ALA 697 -1.417 1.527 -1.311 534 HB3 ALA 697 HB3 ALA 697 -0.322 1.153 -2.640 535 H GLU 698 HN GLU 698 -1.073 -0.815 -4.338 536 HA GLU 698 HA GLU 698 -3.538 0.169 -5.249 537 HB2 GLU 698 HB2 GLU 698 -1.520 -0.090 -6.667 538 HB3 GLU 698 HB1 GLU 698 -1.707 -1.835 -6.588 539 HG2 GLU 698 HG2 GLU 698 -3.889 -1.626 -7.703 540 HG3 GLU 698 HG1 GLU 698 -3.639 0.114 -7.826 541 H ALA 699 HN ALA 699 -2.403 -3.128 -4.558 542 HA ALA 699 HA ALA 699 -4.838 -4.415 -5.262 543 HB1 ALA 699 HB1 ALA 699 -3.911 -6.356 -4.080 544 HB2 ALA 699 HB2 ALA 699 -2.622 -5.340 -3.435 545 HB3 ALA 699 HB3 ALA 699 -2.730 -5.631 -5.170 546 H ALA 700 HN ALA 700 -3.678 -2.831 -2.412 547 HA ALA 700 HA ALA 700 -5.635 -3.898 -0.611 548 HB1 ALA 700 HB1 ALA 700 -4.853 -2.243 0.959 549 HB2 ALA 700 HB2 ALA 700 -4.007 -1.380 -0.324 550 HB3 ALA 700 HB3 ALA 700 -3.474 -2.990 0.156 551 H MET 701 HN MET 701 -5.285 -0.801 -2.346 552 HA MET 701 HA MET 701 -7.785 0.203 -1.448 553 HB2 MET 701 HB2 MET 701 -7.461 2.014 -2.977 554 HB3 MET 701 HB1 MET 701 -5.899 1.624 -2.280 555 HG2 MET 701 HG2 MET 701 -5.272 0.441 -4.303 556 HG3 MET 701 HG1 MET 701 -6.854 0.777 -5.005 557 HE1 MET 701 HE1 MET 701 -4.199 1.502 -6.574 558 HE2 MET 701 HE2 MET 701 -4.627 3.107 -7.163 559 HE3 MET 701 HE3 MET 701 -5.835 1.822 -7.144 560 H GLU 702 HN GLU 702 -6.774 -1.756 -4.165 561 HA GLU 702 HA GLU 702 -9.231 -1.634 -5.590 562 HB2 GLU 702 HB2 GLU 702 -7.037 -2.430 -6.514 563 HB3 GLU 702 HB1 GLU 702 -7.212 -3.882 -5.543 564 HG2 GLU 702 HG2 GLU 702 -7.864 -4.289 -7.836 565 HG3 GLU 702 HG1 GLU 702 -9.248 -4.455 -6.757 566 H ALA 703 HN ALA 703 -8.038 -3.495 -2.893 567 HA ALA 703 HA ALA 703 -10.293 -5.305 -2.855 568 HB1 ALA 703 HB1 ALA 703 -8.151 -4.878 -0.773 569 HB2 ALA 703 HB2 ALA 703 -8.055 -6.023 -2.109 570 HB3 ALA 703 HB3 ALA 703 -9.280 -6.230 -0.860 571 H MET 704 HN MET 704 -10.230 -2.178 -2.318 572 HA MET 704 HA MET 704 -11.591 -0.711 -1.258 573 HB2 MET 704 HB2 MET 704 -13.021 -3.202 -0.304 574 HB3 MET 704 HB1 MET 704 -13.611 -1.562 -0.078 575 HG2 MET 704 HG2 MET 704 -13.772 -1.264 -2.479 576 HG3 MET 704 HG1 MET 704 -13.120 -2.880 -2.737 577 HE1 MET 704 HE1 MET 704 -15.923 -1.688 -3.929 578 HE2 MET 704 HE2 MET 704 -16.900 -3.151 -3.808 579 HE3 MET 704 HE3 MET 704 -15.223 -3.254 -4.340 580 H LYS 705 HN LYS 705 -9.164 -1.707 -0.027 581 HA LYS 705 HA LYS 705 -9.853 -1.273 2.802 582 HB2 LYS 705 HB2 LYS 705 -7.595 -2.921 1.658 583 HB3 LYS 705 HB1 LYS 705 -7.855 -2.615 3.375 584 HG2 LYS 705 HG2 LYS 705 -10.108 -3.671 3.135 585 HG3 LYS 705 HG1 LYS 705 -9.656 -4.119 1.493 586 HD2 LYS 705 HD2 LYS 705 -9.297 -5.992 2.943 587 HD3 LYS 705 HD1 LYS 705 -7.735 -5.371 2.411 588 HE2 LYS 705 HE2 LYS 705 -7.843 -5.973 4.829 589 HE3 LYS 705 HE1 LYS 705 -7.360 -4.309 4.511 590 HZ1 LYS 705 HZ1 LYS 705 -9.356 -3.487 5.271 591 HZ2 LYS 705 HZ2 LYS 705 -9.100 -4.789 6.322 592 HZ3 LYS 705 HZ3 LYS 705 -10.192 -4.947 5.035 593 H GLY 706 HN GLY 706 -9.706 0.977 2.325 594 HA2 GLY 706 HA2 GLY 706 -7.449 2.276 1.299 595 HA3 GLY 706 HA1 GLY 706 -8.686 3.013 2.300 596 H ARG 707 HN ARG 707 -8.169 1.259 4.615 597 HA ARG 707 HA ARG 707 -6.203 2.847 5.886 598 HB2 ARG 707 HB2 ARG 707 -7.989 1.671 7.110 599 HB3 ARG 707 HB1 ARG 707 -7.261 0.127 6.692 600 HG2 ARG 707 HG2 ARG 707 -5.282 0.687 7.994 601 HG3 ARG 707 HG1 ARG 707 -5.975 2.265 8.382 602 HD2 ARG 707 HD2 ARG 707 -6.294 0.718 10.230 603 HD3 ARG 707 HD1 ARG 707 -7.844 1.154 9.515 604 HE ARG 707 HE ARG 707 -6.538 -1.341 8.694 605 HH11 ARG 707 HH11 ARG 707 -9.154 0.291 10.365 606 HH12 ARG 707 HH12 ARG 707 -10.140 -1.142 10.455 607 HH21 ARG 707 HH21 ARG 707 -7.834 -3.220 8.841 608 HH22 ARG 707 HH22 ARG 707 -9.386 -3.131 9.611 609 H LEU 708 HN LEU 708 -6.106 -0.486 4.697 610 HA LEU 708 HA LEU 708 -3.392 -0.977 5.258 611 HB2 LEU 708 HB2 LEU 708 -5.370 -2.187 3.351 612 HB3 LEU 708 HB1 LEU 708 -3.691 -2.687 3.320 613 HG LEU 708 HG LEU 708 -5.090 -4.232 4.615 614 HD11 LEU 708 HD11 LEU 708 -3.151 -2.704 6.340 615 HD12 LEU 708 HD12 LEU 708 -2.727 -3.962 5.181 616 HD13 LEU 708 HD13 LEU 708 -3.702 -4.359 6.595 617 HD21 LEU 708 HD21 LEU 708 -6.748 -2.610 5.420 618 HD22 LEU 708 HD22 LEU 708 -5.530 -1.909 6.485 619 HD23 LEU 708 HD23 LEU 708 -6.068 -3.571 6.732 620 H ALA 709 HN ALA 709 -5.031 0.146 2.335 621 HA ALA 709 HA ALA 709 -2.819 0.416 0.668 622 HB1 ALA 709 HB1 ALA 709 -5.129 0.593 -0.106 623 HB2 ALA 709 HB2 ALA 709 -4.162 1.974 -0.625 624 HB3 ALA 709 HB3 ALA 709 -5.285 2.140 0.725 625 H ASN 710 HN ASN 710 -4.164 2.662 3.040 626 HA ASN 710 HA ASN 710 -2.461 4.838 2.503 627 HB2 ASN 710 HB2 ASN 710 -4.422 5.210 3.841 628 HB3 ASN 710 HB1 ASN 710 -3.919 4.001 5.016 629 HD21 ASN 710 HD21 ASN 710 -3.269 7.216 3.772 630 HD22 ASN 710 HD22 ASN 710 -2.385 7.767 5.150 631 H GLN 711 HN GLN 711 -2.244 2.269 4.963 632 HA GLN 711 HA GLN 711 0.209 2.995 6.052 633 HB2 GLN 711 HB2 GLN 711 -0.982 0.242 5.695 634 HB3 GLN 711 HB1 GLN 711 0.444 0.573 6.662 635 HG2 GLN 711 HG2 GLN 711 -0.903 2.043 8.109 636 HG3 GLN 711 HG1 GLN 711 -2.331 1.634 7.157 637 HE21 GLN 711 HE21 GLN 711 -1.361 -1.160 6.810 638 HE22 GLN 711 HE22 GLN 711 -1.676 -1.943 8.318 639 H TYR 712 HN TYR 712 -0.370 0.573 3.505 640 HA TYR 712 HA TYR 712 2.335 0.067 3.035 641 HB2 TYR 712 HB2 TYR 712 -0.009 -0.316 1.172 642 HB3 TYR 712 HB1 TYR 712 1.615 -0.954 0.882 643 HD1 TYR 712 HD1 TYR 712 2.333 -1.820 3.650 644 HD2 TYR 712 HD2 TYR 712 -1.276 -2.247 1.453 645 HE1 TYR 712 HE1 TYR 712 1.779 -3.821 4.965 646 HE2 TYR 712 HE2 TYR 712 -1.846 -4.241 2.763 647 HH TYR 712 HH TYR 712 -0.153 -5.132 5.602 648 H TYR 713 HN TYR 713 0.239 2.559 1.552 649 HA TYR 713 HA TYR 713 2.246 3.294 -0.351 650 HB2 TYR 713 HB2 TYR 713 -0.036 4.031 -0.792 651 HB3 TYR 713 HB1 TYR 713 -0.064 4.947 0.718 652 HD1 TYR 713 HD1 TYR 713 0.733 7.168 0.789 653 HD2 TYR 713 HD2 TYR 713 1.662 4.713 -2.560 654 HE1 TYR 713 HE1 TYR 713 1.756 9.100 -0.336 655 HE2 TYR 713 HE2 TYR 713 2.681 6.641 -3.697 656 HH TYR 713 HH TYR 713 3.610 9.380 -2.149 657 H GLN 714 HN GLN 714 1.400 4.360 2.897 658 HA GLN 714 HA GLN 714 3.278 6.461 3.096 659 HB2 GLN 714 HB2 GLN 714 1.371 6.151 4.617 660 HB3 GLN 714 HB1 GLN 714 2.099 4.679 5.237 661 HG2 GLN 714 HG2 GLN 714 3.832 5.872 6.303 662 HG3 GLN 714 HG1 GLN 714 3.427 7.363 5.450 663 HE21 GLN 714 HE21 GLN 714 0.584 7.052 5.758 664 HE22 GLN 714 HE22 GLN 714 0.213 7.397 7.407 665 H LYS 715 HN LYS 715 3.542 3.051 3.184 666 HA LYS 715 HA LYS 715 6.081 2.990 4.589 667 HB2 LYS 715 HB2 LYS 715 4.340 1.172 4.791 668 HB3 LYS 715 HB1 LYS 715 4.634 0.779 3.102 669 HG2 LYS 715 HG2 LYS 715 5.793 -0.791 4.481 670 HG3 LYS 715 HG1 LYS 715 6.974 0.241 3.672 671 HD2 LYS 715 HD2 LYS 715 7.524 1.366 5.625 672 HD3 LYS 715 HD1 LYS 715 6.012 0.929 6.425 673 HE2 LYS 715 HE2 LYS 715 7.963 -0.283 7.342 674 HE3 LYS 715 HE1 LYS 715 6.752 -1.362 6.653 675 HZ1 LYS 715 HZ1 LYS 715 9.145 -0.473 5.148 676 HZ2 LYS 715 HZ2 LYS 715 8.088 -1.742 4.767 677 HZ3 LYS 715 HZ3 LYS 715 9.124 -1.872 6.096 678 H ALA 716 HN ALA 716 4.754 2.760 1.338 679 HA ALA 716 HA ALA 716 7.190 2.278 -0.039 680 HB1 ALA 716 HB1 ALA 716 5.958 3.015 -2.029 681 HB2 ALA 716 HB2 ALA 716 4.662 3.621 -1.001 682 HB3 ALA 716 HB3 ALA 716 4.996 1.894 -1.067 683 H GLU 717 HN GLU 717 5.464 5.163 0.978 684 HA GLU 717 HA GLU 717 7.049 7.020 -0.453 685 HB2 GLU 717 HB2 GLU 717 4.754 7.466 0.462 686 HB3 GLU 717 HB1 GLU 717 5.448 7.466 2.077 687 HG2 GLU 717 HG2 GLU 717 5.163 9.721 1.365 688 HG3 GLU 717 HG1 GLU 717 6.886 9.360 1.402 689 H GLU 718 HN GLU 718 7.066 5.784 2.891 690 HA GLU 718 HA GLU 718 9.404 7.136 3.694 691 HB2 GLU 718 HB2 GLU 718 8.082 4.627 4.667 692 HB3 GLU 718 HB1 GLU 718 9.598 5.186 5.355 693 HG2 GLU 718 HG2 GLU 718 8.441 7.378 5.807 694 HG3 GLU 718 HG1 GLU 718 6.935 6.561 5.385 695 H ALA 719 HN ALA 719 8.930 4.047 2.038 696 HA ALA 719 HA ALA 719 11.525 3.054 2.204 697 HB1 ALA 719 HB1 ALA 719 9.669 2.820 -0.164 698 HB2 ALA 719 HB2 ALA 719 9.637 1.786 1.263 699 HB3 ALA 719 HB3 ALA 719 11.043 1.775 0.197 700 H TRP 720 HN TRP 720 10.120 5.156 -0.314 701 HA TRP 720 HA TRP 720 12.680 5.517 -1.570 702 HB2 TRP 720 HB2 TRP 720 10.038 6.915 -2.013 703 HB3 TRP 720 HB1 TRP 720 11.485 7.215 -2.974 704 HD1 TRP 720 HD1 TRP 720 12.364 4.072 -3.179 705 HE1 TRP 720 HE1 TRP 720 11.050 2.564 -4.792 706 HE3 TRP 720 HE3 TRP 720 8.079 6.854 -3.616 707 HZ2 TRP 720 HZ2 TRP 720 8.552 2.552 -6.093 708 HZ3 TRP 720 HZ3 TRP 720 6.282 6.022 -5.069 709 HH2 TRP 720 HH2 TRP 720 6.515 3.914 -6.282 710 H ALA 721 HN ALA 721 10.833 7.299 0.828 711 HA ALA 721 HA ALA 721 12.351 9.688 0.679 712 HB1 ALA 721 HB1 ALA 721 10.852 8.581 3.049 713 HB2 ALA 721 HB2 ALA 721 10.151 9.565 1.765 714 HB3 ALA 721 HB3 ALA 721 11.379 10.248 2.829 715 H GLN 722 HN GLN 722 12.707 6.719 2.523 716 HA GLN 722 HA GLN 722 14.867 7.725 4.130 717 HB2 GLN 722 HB2 GLN 722 13.314 6.055 5.006 718 HB3 GLN 722 HB1 GLN 722 13.768 4.932 3.736 719 HG2 GLN 722 HG2 GLN 722 16.021 4.800 4.645 720 HG3 GLN 722 HG1 GLN 722 15.582 5.940 5.914 721 HE21 GLN 722 HE21 GLN 722 12.892 4.772 6.211 722 HE22 GLN 722 HE22 GLN 722 13.120 3.282 7.063 723 H MET 723 HN MET 723 14.636 5.147 1.654 724 HA MET 723 HA MET 723 16.302 3.980 0.575 725 HB2 MET 723 HB2 MET 723 17.069 6.849 0.032 726 HB3 MET 723 HB1 MET 723 17.781 5.480 -0.806 727 HG2 MET 723 HG2 MET 723 15.565 4.860 -1.647 728 HG3 MET 723 HG1 MET 723 14.879 6.270 -0.835 729 HE1 MET 723 HE1 MET 723 17.248 8.435 -1.325 730 HE2 MET 723 HE2 MET 723 15.520 8.768 -1.439 731 HE3 MET 723 HE3 MET 723 16.594 9.223 -2.762 732 H GLU 724 HN GLU 724 16.893 3.929 3.199 733 HA GLU 724 HA GLU 724 19.792 4.175 3.289 734 HB2 GLU 724 HB2 GLU 724 18.812 6.318 4.147 735 HB3 GLU 724 HB1 GLU 724 17.990 5.394 5.396 736 HG2 GLU 724 HG2 GLU 724 20.008 6.467 6.237 737 HG3 GLU 724 HG1 GLU 724 20.125 4.708 6.322 738 H GLU 725 HN GLU 725 20.679 3.077 5.216 739 HA GLU 725 HA GLU 725 20.892 1.307 6.615 740 HB2 GLU 725 HB2 GLU 725 19.051 2.383 7.842 741 HB3 GLU 725 HB1 GLU 725 17.887 1.510 6.859 742 HG2 GLU 725 HG2 GLU 725 18.814 -0.613 7.740 743 HG3 GLU 725 HG1 GLU 725 19.852 0.331 8.806 Start of MODEL 14 1 H1 GLY 623 HT1 GLY 623 -24.657 -4.354 -13.833 2 H2 GLY 623 HT2 GLY 623 -24.398 -2.892 -13.024 3 H3 GLY 623 HT3 GLY 623 -24.552 -4.326 -12.144 4 HA2 GLY 623 HA1 GLY 623 -22.515 -5.175 -13.126 5 HA3 GLY 623 HA2 GLY 623 -22.357 -3.674 -14.028 6 H SER 624 HN SER 624 -21.261 -5.272 -11.393 7 HA SER 624 HA SER 624 -20.497 -2.772 -10.075 8 HB2 SER 624 HB2 SER 624 -20.772 -4.091 -7.866 9 HB3 SER 624 HB1 SER 624 -22.223 -3.466 -8.648 10 HG SER 624 HG SER 624 -21.225 -6.116 -8.950 11 H HIS 625 HN HIS 625 -18.799 -3.968 -11.800 12 HA HIS 625 HA HIS 625 -16.990 -5.657 -10.289 13 HB2 HIS 625 HB2 HIS 625 -15.580 -5.690 -12.261 14 HB3 HIS 625 HB1 HIS 625 -17.246 -5.956 -12.757 15 HD1 HIS 625 HD1 HIS 625 -18.137 -4.436 -14.545 16 HD2 HIS 625 HD2 HIS 625 -14.608 -3.020 -12.868 17 HE1 HIS 625 HE1 HIS 625 -17.456 -2.472 -15.959 18 HE2 HIS 625 HE2 HIS 625 -15.367 -1.564 -14.871 19 H MET 626 HN MET 626 -17.632 -2.384 -10.640 20 HA MET 626 HA MET 626 -15.401 -1.722 -8.925 21 HB2 MET 626 HB2 MET 626 -14.513 -1.386 -11.237 22 HB3 MET 626 HB1 MET 626 -15.794 -0.213 -11.517 23 HG2 MET 626 HG2 MET 626 -13.753 0.936 -10.979 24 HG3 MET 626 HG1 MET 626 -14.911 1.153 -9.667 25 HE1 MET 626 HE1 MET 626 -13.075 1.940 -7.970 26 HE2 MET 626 HE2 MET 626 -11.863 1.832 -9.246 27 HE3 MET 626 HE3 MET 626 -11.563 1.078 -7.679 28 H SER 627 HN SER 627 -17.467 -1.655 -7.668 29 HA SER 627 HA SER 627 -18.664 1.025 -7.910 30 HB2 SER 627 HB2 SER 627 -20.124 -1.479 -7.029 31 HB3 SER 627 HB1 SER 627 -20.815 0.131 -7.229 32 HG SER 627 HG SER 627 -20.028 -0.100 -9.498 33 HA PRO 628 HA PRO 628 -16.904 0.395 -3.691 34 HB2 PRO 628 HB2 PRO 628 -15.201 2.462 -3.648 35 HB3 PRO 628 HB1 PRO 628 -14.796 0.954 -4.474 36 HG2 PRO 628 HG2 PRO 628 -15.713 3.555 -5.613 37 HG3 PRO 628 HG1 PRO 628 -14.519 2.408 -6.246 38 HD2 PRO 628 HD2 PRO 628 -17.163 2.607 -7.084 39 HD3 PRO 628 HD1 PRO 628 -16.105 1.209 -7.345 40 H ASP 629 HN ASP 629 -19.422 1.412 -4.077 41 HA ASP 629 HA ASP 629 -19.791 4.126 -3.485 42 HB2 ASP 629 HB2 ASP 629 -21.607 1.766 -2.968 43 HB3 ASP 629 HB1 ASP 629 -22.094 3.441 -2.742 44 H ARG 630 HN ARG 630 -19.548 1.321 -1.340 45 HA ARG 630 HA ARG 630 -19.551 3.176 0.946 46 HB2 ARG 630 HB2 ARG 630 -20.079 1.241 2.348 47 HB3 ARG 630 HB1 ARG 630 -21.274 1.453 1.078 48 HG2 ARG 630 HG2 ARG 630 -20.431 -0.379 -0.150 49 HG3 ARG 630 HG1 ARG 630 -18.975 -0.466 0.843 50 HD2 ARG 630 HD2 ARG 630 -21.787 -1.006 1.786 51 HD3 ARG 630 HD1 ARG 630 -20.578 -2.231 1.407 52 HE ARG 630 HE ARG 630 -20.120 -0.237 3.527 53 HH11 ARG 630 HH11 ARG 630 -20.348 -3.573 2.484 54 HH12 ARG 630 HH12 ARG 630 -19.722 -4.210 3.967 55 HH21 ARG 630 HH21 ARG 630 -19.294 -1.077 5.482 56 HH22 ARG 630 HH22 ARG 630 -19.118 -2.792 5.672 57 H CYS 631 HN CYS 631 -17.306 2.193 -0.949 58 HA CYS 631 HA CYS 631 -15.356 1.804 1.170 59 HB2 CYS 631 HB2 CYS 631 -14.308 -0.085 -0.189 60 HB3 CYS 631 HB1 CYS 631 -15.778 -0.473 0.698 61 HG CYS 631 HG CYS 631 -15.152 -0.831 -2.501 62 H GLN 632 HN GLN 632 -15.613 4.091 -0.091 63 HA GLN 632 HA GLN 632 -13.452 4.103 -2.084 64 HB2 GLN 632 HB2 GLN 632 -14.454 6.285 -2.862 65 HB3 GLN 632 HB1 GLN 632 -15.402 4.847 -3.203 66 HG2 GLN 632 HG2 GLN 632 -16.809 5.350 -1.239 67 HG3 GLN 632 HG1 GLN 632 -15.892 6.839 -1.001 68 HE21 GLN 632 HE21 GLN 632 -18.129 5.147 -3.050 69 HE22 GLN 632 HE22 GLN 632 -18.688 6.531 -3.925 70 H ASP 633 HN ASP 633 -13.426 4.207 0.860 71 HA ASP 633 HA ASP 633 -12.659 6.828 1.662 72 HB2 ASP 633 HB2 ASP 633 -13.491 5.207 3.283 73 HB3 ASP 633 HB1 ASP 633 -12.149 4.126 2.927 74 H TRP 634 HN TRP 634 -11.099 4.338 -0.059 75 HA TRP 634 HA TRP 634 -8.465 4.676 0.872 76 HB2 TRP 634 HB2 TRP 634 -7.807 3.491 -1.258 77 HB3 TRP 634 HB1 TRP 634 -8.943 2.638 -0.227 78 HD1 TRP 634 HD1 TRP 634 -11.388 2.221 -1.165 79 HE1 TRP 634 HE1 TRP 634 -12.383 2.341 -3.530 80 HE3 TRP 634 HE3 TRP 634 -7.647 4.821 -3.483 81 HZ2 TRP 634 HZ2 TRP 634 -11.669 3.386 -6.058 82 HZ3 TRP 634 HZ3 TRP 634 -7.875 5.326 -5.876 83 HH2 TRP 634 HH2 TRP 634 -9.843 4.629 -7.136 84 H LEU 635 HN LEU 635 -10.343 6.412 -1.502 85 HA LEU 635 HA LEU 635 -8.220 7.761 -2.778 86 HB2 LEU 635 HB2 LEU 635 -11.055 8.656 -2.250 87 HB3 LEU 635 HB1 LEU 635 -9.917 9.568 -3.218 88 HG LEU 635 HG LEU 635 -9.773 7.289 -4.565 89 HD11 LEU 635 HD11 LEU 635 -11.969 6.216 -4.693 90 HD12 LEU 635 HD12 LEU 635 -12.525 7.211 -3.348 91 HD13 LEU 635 HD13 LEU 635 -11.235 6.035 -3.099 92 HD21 LEU 635 HD21 LEU 635 -12.020 9.283 -4.808 93 HD22 LEU 635 HD22 LEU 635 -11.492 8.171 -6.073 94 HD23 LEU 635 HD23 LEU 635 -10.405 9.436 -5.498 95 H GLU 636 HN GLU 636 -10.057 8.420 0.149 96 HA GLU 636 HA GLU 636 -8.641 10.833 0.724 97 HB2 GLU 636 HB2 GLU 636 -10.620 9.158 2.216 98 HB3 GLU 636 HB1 GLU 636 -9.726 10.419 3.060 99 HG2 GLU 636 HG2 GLU 636 -11.616 10.733 0.745 100 HG3 GLU 636 HG1 GLU 636 -11.788 11.359 2.385 101 H ALA 637 HN ALA 637 -8.329 7.467 1.553 102 HA ALA 637 HA ALA 637 -6.533 7.573 3.659 103 HB1 ALA 637 HB1 ALA 637 -5.844 5.350 2.992 104 HB2 ALA 637 HB2 ALA 637 -6.535 5.592 1.390 105 HB3 ALA 637 HB3 ALA 637 -7.588 5.523 2.804 106 H LEU 638 HN LEU 638 -5.875 7.681 0.168 107 HA LEU 638 HA LEU 638 -3.056 8.167 0.644 108 HB2 LEU 638 HB2 LEU 638 -4.751 7.814 -1.789 109 HB3 LEU 638 HB1 LEU 638 -3.185 8.584 -1.949 110 HG LEU 638 HG LEU 638 -2.115 6.573 -0.974 111 HD11 LEU 638 HD11 LEU 638 -3.393 4.503 -0.769 112 HD12 LEU 638 HD12 LEU 638 -4.879 5.385 -1.117 113 HD13 LEU 638 HD13 LEU 638 -3.970 5.735 0.354 114 HD21 LEU 638 HD21 LEU 638 -2.484 5.100 -2.921 115 HD22 LEU 638 HD22 LEU 638 -2.212 6.783 -3.366 116 HD23 LEU 638 HD23 LEU 638 -3.844 6.116 -3.397 117 H HIS 639 HN HIS 639 -5.818 10.045 0.615 118 HA HIS 639 HA HIS 639 -4.635 12.440 -0.504 119 HB2 HIS 639 HB2 HIS 639 -7.041 11.918 -0.789 120 HB3 HIS 639 HB1 HIS 639 -7.255 12.042 0.949 121 HD1 HIS 639 HD1 HIS 639 -8.687 14.039 1.203 122 HD2 HIS 639 HD2 HIS 639 -5.499 14.716 -1.391 123 HE1 HIS 639 HE1 HIS 639 -8.780 16.489 0.631 124 HE2 HIS 639 HE2 HIS 639 -6.972 16.824 -1.088 125 H TRP 640 HN TRP 640 -5.522 11.188 2.690 126 HA TRP 640 HA TRP 640 -4.862 13.558 4.111 127 HB2 TRP 640 HB2 TRP 640 -5.264 10.698 4.959 128 HB3 TRP 640 HB1 TRP 640 -4.766 11.930 6.107 129 HD1 TRP 640 HD1 TRP 640 -7.745 10.975 3.871 130 HE1 TRP 640 HE1 TRP 640 -9.864 12.080 4.816 131 HE3 TRP 640 HE3 TRP 640 -5.610 13.824 7.551 132 HZ2 TRP 640 HZ2 TRP 640 -10.545 13.912 6.847 133 HZ3 TRP 640 HZ3 TRP 640 -7.078 15.223 8.949 134 HH2 TRP 640 HH2 TRP 640 -9.488 15.263 8.603 135 H TYR 641 HN TYR 641 -2.981 10.827 3.019 136 HA TYR 641 HA TYR 641 -0.639 11.993 4.361 137 HB2 TYR 641 HB2 TYR 641 -1.417 9.891 5.492 138 HB3 TYR 641 HB1 TYR 641 -1.103 9.025 3.991 139 HD1 TYR 641 HD1 TYR 641 0.369 10.493 6.967 140 HD2 TYR 641 HD2 TYR 641 1.221 8.806 3.160 141 HE1 TYR 641 HE1 TYR 641 2.706 10.154 7.648 142 HE2 TYR 641 HE2 TYR 641 3.558 8.460 3.828 143 HH TYR 641 HH TYR 641 5.171 9.400 5.445 144 H ASN 642 HN ASN 642 0.580 12.818 2.823 145 HA ASN 642 HA ASN 642 1.775 11.058 0.909 146 HB2 ASN 642 HB2 ASN 642 -0.228 11.723 -0.351 147 HB3 ASN 642 HB1 ASN 642 0.173 13.418 -0.107 148 HD21 ASN 642 HD21 ASN 642 2.562 10.921 -0.779 149 HD22 ASN 642 HD22 ASN 642 2.976 11.505 -2.362 150 H THR 643 HN THR 643 3.768 11.508 1.620 151 HA THR 643 HA THR 643 4.545 14.239 2.257 152 HB THR 643 HB THR 643 6.444 11.917 2.273 153 HG1 THR 643 HG1 THR 643 4.755 11.024 3.363 154 HG21 THR 643 HG21 THR 643 7.298 14.136 2.829 155 HG22 THR 643 HG22 THR 643 7.328 13.086 4.244 156 HG23 THR 643 HG23 THR 643 6.069 14.308 4.080 157 H ALA 644 HN ALA 644 5.727 11.635 0.125 158 HA ALA 644 HA ALA 644 6.905 13.693 -1.613 159 HB1 ALA 644 HB1 ALA 644 8.679 12.638 -0.299 160 HB2 ALA 644 HB2 ALA 644 8.818 12.222 -2.007 161 HB3 ALA 644 HB3 ALA 644 8.158 11.051 -0.866 162 H LEU 645 HN LEU 645 6.698 13.362 -3.777 163 HA LEU 645 HA LEU 645 5.975 12.535 -5.748 164 HB2 LEU 645 HB2 LEU 645 6.342 9.913 -4.307 165 HB3 LEU 645 HB1 LEU 645 5.945 10.035 -6.012 166 HG LEU 645 HG LEU 645 8.416 11.267 -4.800 167 HD11 LEU 645 HD11 LEU 645 9.636 9.365 -5.756 168 HD12 LEU 645 HD12 LEU 645 8.101 8.603 -6.175 169 HD13 LEU 645 HD13 LEU 645 8.521 8.870 -4.483 170 HD21 LEU 645 HD21 LEU 645 9.175 11.310 -7.132 171 HD22 LEU 645 HD22 LEU 645 7.717 12.268 -6.896 172 HD23 LEU 645 HD23 LEU 645 7.613 10.676 -7.646 173 H GLU 646 HN GLU 646 3.988 13.468 -5.716 174 HA GLU 646 HA GLU 646 1.751 12.292 -4.381 175 HB2 GLU 646 HB2 GLU 646 1.932 14.718 -4.807 176 HB3 GLU 646 HB1 GLU 646 1.828 14.411 -6.535 177 HG2 GLU 646 HG2 GLU 646 -0.417 13.458 -6.203 178 HG3 GLU 646 HG1 GLU 646 -0.306 13.858 -4.488 179 H MET 647 HN MET 647 1.932 10.139 -5.254 180 HA MET 647 HA MET 647 1.263 9.710 -8.022 181 HB2 MET 647 HB2 MET 647 2.639 8.092 -6.765 182 HB3 MET 647 HB1 MET 647 1.283 7.782 -5.693 183 HG2 MET 647 HG2 MET 647 -0.008 6.920 -7.592 184 HG3 MET 647 HG1 MET 647 1.382 7.193 -8.641 185 HE1 MET 647 HE1 MET 647 4.007 4.672 -7.222 186 HE2 MET 647 HE2 MET 647 3.809 6.328 -6.651 187 HE3 MET 647 HE3 MET 647 3.689 5.970 -8.373 188 H THR 648 HN THR 648 -0.390 8.588 -5.081 189 HA THR 648 HA THR 648 -2.605 8.287 -4.599 190 HB THR 648 HB THR 648 -3.022 10.941 -5.967 191 HG1 THR 648 HG1 THR 648 -1.065 10.758 -4.524 192 HG21 THR 648 HG21 THR 648 -4.577 11.313 -4.111 193 HG22 THR 648 HG22 THR 648 -4.173 9.729 -3.448 194 HG23 THR 648 HG23 THR 648 -4.998 9.850 -5.002 195 H ASP 649 HN ASP 649 -2.589 6.558 -6.326 196 HA ASP 649 HA ASP 649 -3.673 7.202 -8.901 197 HB2 ASP 649 HB2 ASP 649 -2.097 5.254 -8.398 198 HB3 ASP 649 HB1 ASP 649 -3.498 4.433 -7.712 199 H CYS 650 HN CYS 650 -5.660 8.126 -8.614 200 HA CYS 650 HA CYS 650 -7.689 6.835 -7.032 201 HB2 CYS 650 HB2 CYS 650 -7.956 9.157 -8.954 202 HB3 CYS 650 HB1 CYS 650 -9.124 8.673 -7.727 203 HG CYS 650 HG CYS 650 -5.982 9.500 -6.745 204 H ASP 651 HN ASP 651 -7.209 4.840 -8.396 205 HA ASP 651 HA ASP 651 -7.956 3.246 -9.822 206 HB2 ASP 651 HB2 ASP 651 -10.151 3.695 -8.911 207 HB3 ASP 651 HB1 ASP 651 -10.363 5.070 -9.987 208 H GLU 652 HN GLU 652 -6.120 4.063 -11.128 209 HA GLU 652 HA GLU 652 -7.067 5.147 -13.697 210 HB2 GLU 652 HB2 GLU 652 -5.211 6.374 -12.685 211 HB3 GLU 652 HB1 GLU 652 -4.262 4.895 -12.605 212 HG2 GLU 652 HG2 GLU 652 -4.353 4.769 -15.079 213 HG3 GLU 652 HG1 GLU 652 -5.166 6.334 -15.085 214 H GLY 653 HN GLY 653 -7.843 3.417 -14.790 215 HA2 GLY 653 HA2 GLY 653 -7.681 1.565 -16.155 216 HA3 GLY 653 HA1 GLY 653 -5.969 1.474 -15.769 217 H GLY 654 HN GLY 654 -8.157 1.612 -13.136 218 HA2 GLY 654 HA2 GLY 654 -7.306 -1.048 -12.337 219 HA3 GLY 654 HA1 GLY 654 -8.146 0.124 -11.332 220 H GLU 655 HN GLU 655 -10.373 0.238 -11.373 221 HA GLU 655 HA GLU 655 -12.454 -0.657 -11.338 222 HB2 GLU 655 HB2 GLU 655 -11.605 -1.465 -14.105 223 HB3 GLU 655 HB1 GLU 655 -13.228 -1.737 -13.494 224 HG2 GLU 655 HG2 GLU 655 -13.415 0.708 -13.098 225 HG3 GLU 655 HG1 GLU 655 -11.854 0.905 -13.897 226 H TYR 656 HN TYR 656 -11.694 -2.100 -9.636 227 HA TYR 656 HA TYR 656 -12.422 -4.803 -10.243 228 HB2 TYR 656 HB2 TYR 656 -9.870 -4.438 -10.790 229 HB3 TYR 656 HB1 TYR 656 -9.687 -4.556 -9.048 230 HD1 TYR 656 HD1 TYR 656 -10.839 -6.380 -12.056 231 HD2 TYR 656 HD2 TYR 656 -9.776 -6.659 -7.947 232 HE1 TYR 656 HE1 TYR 656 -10.848 -8.832 -12.224 233 HE2 TYR 656 HE2 TYR 656 -9.780 -9.114 -8.109 234 HH TYR 656 HH TYR 656 -10.853 -10.857 -9.545 235 H ASP 657 HN ASP 657 -13.474 -2.810 -8.588 236 HA ASP 657 HA ASP 657 -12.795 -3.284 -5.850 237 HB2 ASP 657 HB2 ASP 657 -13.869 -1.191 -6.517 238 HB3 ASP 657 HB1 ASP 657 -15.273 -2.071 -7.099 239 H GLY 658 HN GLY 658 -12.770 -5.609 -5.941 240 HA2 GLY 658 HA2 GLY 658 -15.483 -6.734 -5.629 241 HA3 GLY 658 HA1 GLY 658 -14.229 -7.592 -6.506 242 H MET 659 HN MET 659 -12.290 -6.490 -4.377 243 HA MET 659 HA MET 659 -11.203 -7.382 -2.611 244 HB2 MET 659 HB2 MET 659 -12.936 -6.429 -1.277 245 HB3 MET 659 HB1 MET 659 -14.042 -7.739 -1.667 246 HG2 MET 659 HG2 MET 659 -13.146 -7.924 0.605 247 HG3 MET 659 HG1 MET 659 -12.710 -9.303 -0.400 248 HE1 MET 659 HE1 MET 659 -9.544 -9.150 1.791 249 HE2 MET 659 HE2 MET 659 -10.791 -10.172 1.074 250 HE3 MET 659 HE3 MET 659 -11.229 -8.959 2.278 251 H GLN 660 HN GLN 660 -10.222 -9.046 -3.700 252 HA GLN 660 HA GLN 660 -11.321 -11.596 -4.122 253 HB2 GLN 660 HB2 GLN 660 -8.442 -10.759 -3.726 254 HB3 GLN 660 HB1 GLN 660 -8.937 -12.363 -4.235 255 HG2 GLN 660 HG2 GLN 660 -8.374 -11.336 -6.220 256 HG3 GLN 660 HG1 GLN 660 -10.125 -11.156 -6.167 257 HE21 GLN 660 HE21 GLN 660 -7.075 -9.562 -6.005 258 HE22 GLN 660 HE22 GLN 660 -7.668 -7.935 -6.109 259 H ASP 661 HN ASP 661 -11.283 -13.452 -2.929 260 HA ASP 661 HA ASP 661 -11.607 -13.173 -0.148 261 HB2 ASP 661 HB2 ASP 661 -11.296 -15.614 -1.896 262 HB3 ASP 661 HB1 ASP 661 -11.577 -15.717 -0.162 263 H GLU 662 HN GLU 662 -8.889 -13.994 -2.119 264 HA GLU 662 HA GLU 662 -7.236 -14.341 0.281 265 HB2 GLU 662 HB2 GLU 662 -6.547 -14.865 -2.622 266 HB3 GLU 662 HB1 GLU 662 -5.534 -15.242 -1.234 267 HG2 GLU 662 HG2 GLU 662 -7.156 -16.862 -0.455 268 HG3 GLU 662 HG1 GLU 662 -8.235 -16.447 -1.786 269 HA PRO 663 HA PRO 663 -6.403 -10.043 -0.457 270 HB2 PRO 663 HB2 PRO 663 -4.577 -9.656 1.523 271 HB3 PRO 663 HB1 PRO 663 -6.315 -9.780 1.822 272 HG2 PRO 663 HG2 PRO 663 -4.194 -11.874 2.128 273 HG3 PRO 663 HG1 PRO 663 -5.559 -11.489 3.200 274 HD2 PRO 663 HD2 PRO 663 -5.616 -13.577 1.464 275 HD3 PRO 663 HD1 PRO 663 -7.077 -12.655 1.905 276 H ARG 664 HN ARG 664 -5.218 -9.355 -2.096 277 HA ARG 664 HA ARG 664 -2.776 -10.651 -2.855 278 HB2 ARG 664 HB2 ARG 664 -4.373 -9.871 -4.545 279 HB3 ARG 664 HB1 ARG 664 -4.172 -8.216 -3.997 280 HG2 ARG 664 HG2 ARG 664 -1.972 -8.099 -4.842 281 HG3 ARG 664 HG1 ARG 664 -1.894 -9.844 -5.082 282 HD2 ARG 664 HD2 ARG 664 -2.203 -8.845 -7.223 283 HD3 ARG 664 HD1 ARG 664 -3.721 -9.613 -6.777 284 HE ARG 664 HE ARG 664 -4.666 -7.447 -6.414 285 HH11 ARG 664 HH11 ARG 664 -1.429 -7.365 -7.746 286 HH12 ARG 664 HH12 ARG 664 -1.628 -5.808 -8.480 287 HH21 ARG 664 HH21 ARG 664 -4.937 -5.393 -7.402 288 HH22 ARG 664 HH22 ARG 664 -3.610 -4.672 -8.270 289 H TYR 665 HN TYR 665 -3.653 -7.703 -1.220 290 HA TYR 665 HA TYR 665 -1.247 -6.302 -1.650 291 HB2 TYR 665 HB2 TYR 665 -2.017 -4.842 0.231 292 HB3 TYR 665 HB1 TYR 665 -3.187 -5.049 -1.069 293 HD1 TYR 665 HD1 TYR 665 -5.347 -5.934 -0.623 294 HD2 TYR 665 HD2 TYR 665 -2.348 -6.072 2.382 295 HE1 TYR 665 HE1 TYR 665 -7.034 -6.637 1.021 296 HE2 TYR 665 HE2 TYR 665 -4.032 -6.765 4.037 297 HH TYR 665 HH TYR 665 -7.194 -7.746 3.139 298 H MET 666 HN MET 666 -2.164 -8.662 0.752 299 HA MET 666 HA MET 666 -0.108 -7.990 2.604 300 HB2 MET 666 HB2 MET 666 -1.963 -10.330 2.295 301 HB3 MET 666 HB1 MET 666 -0.627 -10.403 3.447 302 HG2 MET 666 HG2 MET 666 -1.479 -8.459 4.608 303 HG3 MET 666 HG1 MET 666 -2.767 -8.278 3.418 304 HE1 MET 666 HE1 MET 666 -4.583 -9.431 6.730 305 HE2 MET 666 HE2 MET 666 -4.495 -8.178 5.494 306 HE3 MET 666 HE3 MET 666 -3.150 -8.411 6.609 307 H MET 667 HN MET 667 -0.369 -10.319 -0.038 308 HA MET 667 HA MET 667 2.108 -11.601 0.527 309 HB2 MET 667 HB2 MET 667 0.165 -12.494 -0.897 310 HB3 MET 667 HB1 MET 667 0.778 -11.462 -2.179 311 HG2 MET 667 HG2 MET 667 2.455 -13.566 -0.830 312 HG3 MET 667 HG1 MET 667 1.470 -13.886 -2.251 313 HE1 MET 667 HE1 MET 667 3.171 -11.814 -5.030 314 HE2 MET 667 HE2 MET 667 1.695 -11.510 -4.114 315 HE3 MET 667 HE3 MET 667 2.065 -13.139 -4.677 316 H LEU 668 HN LEU 668 1.073 -9.009 -1.635 317 HA LEU 668 HA LEU 668 3.581 -8.510 -2.831 318 HB2 LEU 668 HB2 LEU 668 1.070 -6.922 -2.491 319 HB3 LEU 668 HB1 LEU 668 2.518 -6.099 -3.035 320 HG LEU 668 HG LEU 668 2.636 -7.480 -5.013 321 HD11 LEU 668 HD11 LEU 668 0.213 -8.919 -3.948 322 HD12 LEU 668 HD12 LEU 668 1.840 -9.585 -4.081 323 HD13 LEU 668 HD13 LEU 668 0.944 -9.152 -5.536 324 HD21 LEU 668 HD21 LEU 668 -0.165 -6.475 -4.546 325 HD22 LEU 668 HD22 LEU 668 0.566 -6.813 -6.117 326 HD23 LEU 668 HD23 LEU 668 1.207 -5.519 -5.106 327 H ALA 669 HN ALA 669 2.146 -7.414 0.203 328 HA ALA 669 HA ALA 669 4.182 -5.433 0.673 329 HB1 ALA 669 HB1 ALA 669 2.134 -6.614 2.547 330 HB2 ALA 669 HB2 ALA 669 1.929 -5.153 1.581 331 HB3 ALA 669 HB3 ALA 669 3.136 -5.199 2.866 332 H ARG 670 HN ARG 670 3.564 -8.777 1.499 333 HA ARG 670 HA ARG 670 5.574 -9.123 3.425 334 HB2 ARG 670 HB2 ARG 670 3.860 -10.806 3.062 335 HB3 ARG 670 HB1 ARG 670 4.432 -11.076 1.422 336 HG2 ARG 670 HG2 ARG 670 6.467 -12.039 2.214 337 HG3 ARG 670 HG1 ARG 670 6.085 -11.597 3.879 338 HD2 ARG 670 HD2 ARG 670 4.507 -13.513 2.169 339 HD3 ARG 670 HD1 ARG 670 5.656 -13.973 3.424 340 HE ARG 670 HE ARG 670 3.764 -12.249 4.553 341 HH11 ARG 670 HH11 ARG 670 3.937 -15.468 3.205 342 HH12 ARG 670 HH12 ARG 670 2.638 -16.081 4.175 343 HH21 ARG 670 HH21 ARG 670 2.075 -13.044 5.843 344 HH22 ARG 670 HH22 ARG 670 1.571 -14.697 5.680 345 H GLU 671 HN GLU 671 5.634 -9.520 -0.121 346 HA GLU 671 HA GLU 671 8.380 -10.188 -0.233 347 HB2 GLU 671 HB2 GLU 671 6.821 -10.623 -2.104 348 HB3 GLU 671 HB1 GLU 671 6.688 -8.890 -2.380 349 HG2 GLU 671 HG2 GLU 671 8.998 -8.746 -2.979 350 HG3 GLU 671 HG1 GLU 671 9.271 -10.424 -2.525 351 H ALA 672 HN ALA 672 6.633 -7.116 -0.506 352 HA ALA 672 HA ALA 672 8.789 -5.416 -0.927 353 HB1 ALA 672 HB1 ALA 672 7.420 -3.652 -0.038 354 HB2 ALA 672 HB2 ALA 672 6.393 -4.814 0.800 355 HB3 ALA 672 HB3 ALA 672 6.397 -4.751 -0.960 356 H GLU 673 HN GLU 673 7.539 -6.754 2.089 357 HA GLU 673 HA GLU 673 9.238 -5.373 3.856 358 HB2 GLU 673 HB2 GLU 673 7.195 -6.618 4.518 359 HB3 GLU 673 HB1 GLU 673 8.024 -8.126 4.165 360 HG2 GLU 673 HG2 GLU 673 9.708 -7.515 5.892 361 HG3 GLU 673 HG1 GLU 673 8.696 -6.135 6.311 362 H MET 674 HN MET 674 9.542 -8.497 2.213 363 HA MET 674 HA MET 674 12.013 -9.207 3.417 364 HB2 MET 674 HB2 MET 674 10.737 -10.161 0.849 365 HB3 MET 674 HB1 MET 674 12.191 -10.860 1.544 366 HG2 MET 674 HG2 MET 674 10.843 -11.352 3.604 367 HG3 MET 674 HG1 MET 674 9.415 -10.870 2.691 368 HE1 MET 674 HE1 MET 674 8.525 -12.197 0.516 369 HE2 MET 674 HE2 MET 674 9.402 -13.546 -0.204 370 HE3 MET 674 HE3 MET 674 10.104 -11.928 -0.222 371 H LEU 675 HN LEU 675 11.183 -7.261 0.624 372 HA LEU 675 HA LEU 675 13.883 -7.244 -0.398 373 HB2 LEU 675 HB2 LEU 675 11.272 -6.092 -1.193 374 HB3 LEU 675 HB1 LEU 675 12.694 -5.194 -1.683 375 HG LEU 675 HG LEU 675 11.862 -6.730 -3.432 376 HD11 LEU 675 HD11 LEU 675 14.178 -6.085 -3.460 377 HD12 LEU 675 HD12 LEU 675 14.033 -7.775 -3.944 378 HD13 LEU 675 HD13 LEU 675 14.588 -7.368 -2.321 379 HD21 LEU 675 HD21 LEU 675 12.136 -9.126 -3.199 380 HD22 LEU 675 HD22 LEU 675 11.036 -8.514 -1.964 381 HD23 LEU 675 HD23 LEU 675 12.696 -8.924 -1.540 382 H PHE 676 HN PHE 676 11.893 -5.257 1.665 383 HA PHE 676 HA PHE 676 13.558 -2.949 1.546 384 HB2 PHE 676 HB2 PHE 676 11.160 -2.885 2.217 385 HB3 PHE 676 HB1 PHE 676 11.582 -3.734 3.706 386 HD1 PHE 676 HD1 PHE 676 11.960 -2.488 5.593 387 HD2 PHE 676 HD2 PHE 676 12.550 -0.673 1.789 388 HE1 PHE 676 HE1 PHE 676 12.434 -0.337 6.691 389 HE2 PHE 676 HE2 PHE 676 13.022 1.477 2.881 390 HZ PHE 676 HZ PHE 676 12.931 1.664 5.317 391 H THR 677 HN THR 677 13.232 -5.604 3.886 392 HA THR 677 HA THR 677 15.466 -4.597 5.412 393 HB THR 677 HB THR 677 15.056 -6.628 6.826 394 HG1 THR 677 HG1 THR 677 12.668 -6.975 5.332 395 HG21 THR 677 HG21 THR 677 14.001 -4.473 7.336 396 HG22 THR 677 HG22 THR 677 12.942 -5.820 7.748 397 HG23 THR 677 HG23 THR 677 12.651 -4.888 6.280 398 H GLY 678 HN GLY 678 14.832 -7.145 3.090 399 HA2 GLY 678 HA2 GLY 678 16.300 -8.476 1.908 400 HA3 GLY 678 HA1 GLY 678 17.625 -7.578 2.641 401 H GLY 679 HN GLY 679 18.933 -9.219 3.315 402 HA2 GLY 679 HA2 GLY 679 19.669 -10.480 5.135 403 HA3 GLY 679 HA1 GLY 679 18.014 -10.567 5.711 404 H TYR 680 HN TYR 680 16.553 -11.864 4.097 405 HA TYR 680 HA TYR 680 17.619 -14.525 4.198 406 HB2 TYR 680 HB2 TYR 680 14.954 -13.493 3.194 407 HB3 TYR 680 HB1 TYR 680 15.370 -15.197 3.352 408 HD1 TYR 680 HD1 TYR 680 15.199 -16.306 5.415 409 HD2 TYR 680 HD2 TYR 680 14.875 -12.067 5.288 410 HE1 TYR 680 HE1 TYR 680 14.462 -16.295 7.757 411 HE2 TYR 680 HE2 TYR 680 14.133 -12.052 7.631 412 HH TYR 680 HH TYR 680 13.075 -13.587 9.239 413 H GLY 681 HN GLY 681 19.374 -13.793 2.590 414 HA2 GLY 681 HA2 GLY 681 20.346 -14.313 0.560 415 HA3 GLY 681 HA1 GLY 681 18.860 -15.148 0.127 416 H LEU 682 HN LEU 682 18.148 -12.052 1.074 417 HA LEU 682 HA LEU 682 18.057 -11.142 -1.714 418 HB2 LEU 682 HB2 LEU 682 16.243 -10.395 0.578 419 HB3 LEU 682 HB1 LEU 682 16.093 -9.836 -1.078 420 HG LEU 682 HG LEU 682 15.777 -12.698 -0.172 421 HD11 LEU 682 HD11 LEU 682 13.415 -12.378 -0.651 422 HD12 LEU 682 HD12 LEU 682 13.715 -10.688 -1.050 423 HD13 LEU 682 HD13 LEU 682 13.962 -11.261 0.598 424 HD21 LEU 682 HD21 LEU 682 15.356 -11.414 -2.867 425 HD22 LEU 682 HD22 LEU 682 14.959 -13.079 -2.448 426 HD23 LEU 682 HD23 LEU 682 16.638 -12.548 -2.438 427 H GLU 683 HN GLU 683 19.118 -9.333 -2.204 428 HA GLU 683 HA GLU 683 20.368 -7.751 -0.152 429 HB2 GLU 683 HB2 GLU 683 21.469 -8.114 -2.331 430 HB3 GLU 683 HB1 GLU 683 20.146 -7.283 -3.137 431 HG2 GLU 683 HG2 GLU 683 22.110 -5.856 -2.889 432 HG3 GLU 683 HG1 GLU 683 20.720 -5.218 -2.014 433 H LYS 684 HN LYS 684 19.507 -6.012 0.806 434 HA LYS 684 HA LYS 684 16.787 -5.414 0.445 435 HB2 LYS 684 HB2 LYS 684 17.096 -3.607 2.033 436 HB3 LYS 684 HB1 LYS 684 17.951 -5.040 2.580 437 HG2 LYS 684 HG2 LYS 684 20.063 -4.085 1.826 438 HG3 LYS 684 HG1 LYS 684 19.214 -2.658 1.230 439 HD2 LYS 684 HD2 LYS 684 19.352 -3.586 4.099 440 HD3 LYS 684 HD1 LYS 684 20.233 -2.224 3.404 441 HE2 LYS 684 HE2 LYS 684 18.034 -1.173 2.855 442 HE3 LYS 684 HE1 LYS 684 17.242 -2.490 3.721 443 HZ1 LYS 684 HZ1 LYS 684 17.436 -0.668 5.198 444 HZ2 LYS 684 HZ2 LYS 684 19.071 -0.448 4.841 445 HZ3 LYS 684 HZ3 LYS 684 18.572 -1.817 5.697 446 H ASP 685 HN ASP 685 15.754 -4.106 -0.875 447 HA ASP 685 HA ASP 685 17.293 -2.121 -2.406 448 HB2 ASP 685 HB2 ASP 685 17.056 -4.236 -3.733 449 HB3 ASP 685 HB1 ASP 685 15.303 -4.031 -3.653 450 HA PRO 686 HA PRO 686 13.691 0.052 -0.604 451 HB2 PRO 686 HB2 PRO 686 15.221 2.280 -1.871 452 HB3 PRO 686 HB1 PRO 686 14.499 2.184 -0.258 453 HG2 PRO 686 HG2 PRO 686 17.115 1.936 -0.543 454 HG3 PRO 686 HG1 PRO 686 16.238 0.878 0.582 455 HD2 PRO 686 HD2 PRO 686 17.288 0.266 -2.168 456 HD3 PRO 686 HD1 PRO 686 17.296 -0.750 -0.703 457 H GLN 687 HN GLN 687 14.975 0.183 -3.869 458 HA GLN 687 HA GLN 687 12.899 1.758 -4.993 459 HB2 GLN 687 HB2 GLN 687 15.038 1.565 -6.117 460 HB3 GLN 687 HB1 GLN 687 14.834 -0.172 -6.281 461 HG2 GLN 687 HG2 GLN 687 14.408 0.983 -8.377 462 HG3 GLN 687 HG1 GLN 687 12.964 0.160 -7.787 463 HE21 GLN 687 HE21 GLN 687 11.543 1.448 -8.915 464 HE22 GLN 687 HE22 GLN 687 11.263 3.111 -8.525 465 H ARG 688 HN ARG 688 13.535 -1.766 -5.111 466 HA ARG 688 HA ARG 688 11.062 -2.342 -6.385 467 HB2 ARG 688 HB2 ARG 688 12.980 -3.880 -6.506 468 HB3 ARG 688 HB1 ARG 688 12.866 -4.160 -4.773 469 HG2 ARG 688 HG2 ARG 688 10.705 -5.194 -5.041 470 HG3 ARG 688 HG1 ARG 688 10.711 -4.826 -6.765 471 HD2 ARG 688 HD2 ARG 688 12.559 -6.302 -7.133 472 HD3 ARG 688 HD1 ARG 688 12.761 -6.556 -5.402 473 HE ARG 688 HE ARG 688 10.278 -7.435 -5.744 474 HH11 ARG 688 HH11 ARG 688 13.137 -8.020 -7.674 475 HH12 ARG 688 HH12 ARG 688 12.637 -9.609 -8.159 476 HH21 ARG 688 HH21 ARG 688 9.617 -9.523 -6.351 477 HH22 ARG 688 HH22 ARG 688 10.634 -10.464 -7.409 478 H SER 689 HN SER 689 12.123 -2.106 -3.059 479 HA SER 689 HA SER 689 9.938 -3.214 -1.763 480 HB2 SER 689 HB2 SER 689 11.520 -0.791 -0.890 481 HB3 SER 689 HB1 SER 689 10.541 -1.828 0.148 482 HG SER 689 HG SER 689 12.901 -2.529 -1.264 483 H GLY 690 HN GLY 690 10.360 0.226 -2.866 484 HA2 GLY 690 HA2 GLY 690 7.779 0.983 -1.984 485 HA3 GLY 690 HA1 GLY 690 8.817 1.863 -3.108 486 H ASP 691 HN ASP 691 9.037 -0.352 -4.980 487 HA ASP 691 HA ASP 691 6.746 0.196 -6.568 488 HB2 ASP 691 HB2 ASP 691 8.928 -0.497 -7.535 489 HB3 ASP 691 HB1 ASP 691 8.702 -2.105 -6.845 490 H LEU 692 HN LEU 692 7.671 -2.515 -4.502 491 HA LEU 692 HA LEU 692 5.360 -4.070 -5.090 492 HB2 LEU 692 HB2 LEU 692 7.396 -4.167 -2.880 493 HB3 LEU 692 HB1 LEU 692 6.057 -5.296 -2.983 494 HG LEU 692 HG LEU 692 7.979 -4.956 -5.262 495 HD11 LEU 692 HD11 LEU 692 9.197 -6.896 -4.382 496 HD12 LEU 692 HD12 LEU 692 8.230 -6.823 -2.910 497 HD13 LEU 692 HD13 LEU 692 9.321 -5.500 -3.313 498 HD21 LEU 692 HD21 LEU 692 7.223 -7.252 -5.746 499 HD22 LEU 692 HD22 LEU 692 5.900 -6.088 -5.753 500 HD23 LEU 692 HD23 LEU 692 6.125 -7.158 -4.369 501 H TYR 693 HN TYR 693 6.174 -1.708 -2.581 502 HA TYR 693 HA TYR 693 3.788 -2.156 -1.096 503 HB2 TYR 693 HB2 TYR 693 5.939 -0.097 -1.025 504 HB3 TYR 693 HB1 TYR 693 4.389 0.312 -0.280 505 HD1 TYR 693 HD1 TYR 693 3.455 -1.956 1.069 506 HD2 TYR 693 HD2 TYR 693 7.501 -0.749 0.560 507 HE1 TYR 693 HE1 TYR 693 4.075 -3.193 3.100 508 HE2 TYR 693 HE2 TYR 693 8.134 -1.988 2.583 509 HH TYR 693 HH TYR 693 5.956 -4.162 4.166 510 H THR 694 HN THR 694 4.586 -0.030 -3.794 511 HA THR 694 HA THR 694 2.121 1.415 -3.643 512 HB THR 694 HB THR 694 2.660 1.968 -6.109 513 HG1 THR 694 HG1 THR 694 5.247 1.047 -5.402 514 HG21 THR 694 HG21 THR 694 3.073 3.492 -4.230 515 HG22 THR 694 HG22 THR 694 4.341 3.605 -5.448 516 HG23 THR 694 HG23 THR 694 4.634 2.721 -3.952 517 H GLN 695 HN GLN 695 3.243 -1.464 -5.360 518 HA GLN 695 HA GLN 695 0.842 -1.953 -6.775 519 HB2 GLN 695 HB2 GLN 695 2.963 -3.850 -5.749 520 HB3 GLN 695 HB1 GLN 695 1.622 -4.350 -6.767 521 HG2 GLN 695 HG2 GLN 695 2.428 -2.816 -8.526 522 HG3 GLN 695 HG1 GLN 695 3.815 -2.421 -7.505 523 HE21 GLN 695 HE21 GLN 695 3.995 -5.173 -6.488 524 HE22 GLN 695 HE22 GLN 695 4.685 -6.110 -7.766 525 H ALA 696 HN ALA 696 2.009 -2.894 -3.561 526 HA ALA 696 HA ALA 696 -0.190 -4.417 -2.792 527 HB1 ALA 696 HB1 ALA 696 1.581 -2.758 -1.009 528 HB2 ALA 696 HB2 ALA 696 1.960 -4.378 -1.594 529 HB3 ALA 696 HB3 ALA 696 0.582 -4.127 -0.524 530 H ALA 697 HN ALA 697 0.375 -0.880 -2.541 531 HA ALA 697 HA ALA 697 -1.976 -0.330 -1.094 532 HB1 ALA 697 HB1 ALA 697 -1.653 1.966 -1.774 533 HB2 ALA 697 HB2 ALA 697 -0.548 1.467 -3.051 534 HB3 ALA 697 HB3 ALA 697 -0.091 1.259 -1.361 535 H GLU 698 HN GLU 698 -1.265 -0.594 -4.535 536 HA GLU 698 HA GLU 698 -3.763 0.190 -5.533 537 HB2 GLU 698 HB2 GLU 698 -1.846 -0.133 -7.000 538 HB3 GLU 698 HB1 GLU 698 -1.787 -1.844 -6.596 539 HG2 GLU 698 HG2 GLU 698 -4.166 -1.943 -7.548 540 HG3 GLU 698 HG1 GLU 698 -3.793 -0.374 -8.263 541 H ALA 699 HN ALA 699 -2.521 -2.959 -4.481 542 HA ALA 699 HA ALA 699 -4.885 -4.396 -5.112 543 HB1 ALA 699 HB1 ALA 699 -2.687 -5.461 -4.954 544 HB2 ALA 699 HB2 ALA 699 -3.856 -6.219 -3.872 545 HB3 ALA 699 HB3 ALA 699 -2.648 -5.109 -3.227 546 H ALA 700 HN ALA 700 -3.795 -2.579 -2.364 547 HA ALA 700 HA ALA 700 -5.695 -3.606 -0.499 548 HB1 ALA 700 HB1 ALA 700 -3.655 -2.528 0.252 549 HB2 ALA 700 HB2 ALA 700 -5.072 -1.700 0.895 550 HB3 ALA 700 HB3 ALA 700 -4.182 -1.004 -0.460 551 H MET 701 HN MET 701 -5.583 -0.653 -2.491 552 HA MET 701 HA MET 701 -8.153 0.250 -1.682 553 HB2 MET 701 HB2 MET 701 -7.984 1.871 -3.425 554 HB3 MET 701 HB1 MET 701 -6.367 1.666 -2.767 555 HG2 MET 701 HG2 MET 701 -5.798 0.209 -4.653 556 HG3 MET 701 HG1 MET 701 -7.411 0.457 -5.319 557 HE1 MET 701 HE1 MET 701 -6.531 1.302 -7.634 558 HE2 MET 701 HE2 MET 701 -4.886 0.967 -7.095 559 HE3 MET 701 HE3 MET 701 -5.276 2.526 -7.822 560 H GLU 702 HN GLU 702 -7.001 -2.011 -4.014 561 HA GLU 702 HA GLU 702 -9.396 -2.321 -5.534 562 HB2 GLU 702 HB2 GLU 702 -7.287 -2.973 -6.472 563 HB3 GLU 702 HB1 GLU 702 -6.936 -4.008 -5.101 564 HG2 GLU 702 HG2 GLU 702 -8.733 -5.517 -5.789 565 HG3 GLU 702 HG1 GLU 702 -9.052 -4.480 -7.181 566 H ALA 703 HN ALA 703 -8.131 -3.640 -2.579 567 HA ALA 703 HA ALA 703 -10.224 -5.666 -2.433 568 HB1 ALA 703 HB1 ALA 703 -7.904 -5.154 -0.583 569 HB2 ALA 703 HB2 ALA 703 -7.933 -6.329 -1.899 570 HB3 ALA 703 HB3 ALA 703 -9.008 -6.528 -0.515 571 H MET 704 HN MET 704 -10.457 -2.619 -2.026 572 HA MET 704 HA MET 704 -11.866 -1.251 -0.883 573 HB2 MET 704 HB2 MET 704 -12.886 -3.755 0.477 574 HB3 MET 704 HB1 MET 704 -13.715 -2.211 0.363 575 HG2 MET 704 HG2 MET 704 -13.961 -2.486 -2.029 576 HG3 MET 704 HG1 MET 704 -13.046 -3.994 -1.969 577 HE1 MET 704 HE1 MET 704 -14.915 -5.379 -3.175 578 HE2 MET 704 HE2 MET 704 -15.810 -3.874 -3.378 579 HE3 MET 704 HE3 MET 704 -16.623 -5.303 -2.740 580 H LYS 705 HN LYS 705 -9.225 -1.904 0.209 581 HA LYS 705 HA LYS 705 -9.761 -1.603 3.095 582 HB2 LYS 705 HB2 LYS 705 -7.238 -2.660 1.805 583 HB3 LYS 705 HB1 LYS 705 -7.589 -2.595 3.524 584 HG2 LYS 705 HG2 LYS 705 -8.991 -4.301 1.481 585 HG3 LYS 705 HG1 LYS 705 -7.837 -4.848 2.698 586 HD2 LYS 705 HD2 LYS 705 -9.381 -4.116 4.465 587 HD3 LYS 705 HD1 LYS 705 -10.540 -3.616 3.234 588 HE2 LYS 705 HE2 LYS 705 -11.224 -5.757 3.994 589 HE3 LYS 705 HE1 LYS 705 -10.517 -5.985 2.398 590 HZ1 LYS 705 HZ1 LYS 705 -8.449 -6.693 3.485 591 HZ2 LYS 705 HZ2 LYS 705 -9.753 -7.682 3.907 592 HZ3 LYS 705 HZ3 LYS 705 -9.188 -6.525 4.997 593 H GLY 706 HN GLY 706 -9.979 0.661 2.936 594 HA2 GLY 706 HA2 GLY 706 -8.220 2.417 1.678 595 HA3 GLY 706 HA1 GLY 706 -9.244 2.825 3.043 596 H ARG 707 HN ARG 707 -8.211 1.507 5.148 597 HA ARG 707 HA ARG 707 -5.991 3.106 5.786 598 HB2 ARG 707 HB2 ARG 707 -7.546 2.212 7.480 599 HB3 ARG 707 HB1 ARG 707 -6.909 0.599 7.198 600 HG2 ARG 707 HG2 ARG 707 -5.947 1.576 9.206 601 HG3 ARG 707 HG1 ARG 707 -4.706 1.325 7.976 602 HD2 ARG 707 HD2 ARG 707 -4.890 3.699 7.341 603 HD3 ARG 707 HD1 ARG 707 -6.081 3.934 8.616 604 HE ARG 707 HE ARG 707 -3.663 2.840 9.638 605 HH11 ARG 707 HH11 ARG 707 -5.119 5.825 8.539 606 HH12 ARG 707 HH12 ARG 707 -4.081 6.833 9.495 607 HH21 ARG 707 HH21 ARG 707 -2.286 4.169 10.894 608 HH22 ARG 707 HH22 ARG 707 -2.474 5.892 10.836 609 H LEU 708 HN LEU 708 -6.195 -0.228 4.673 610 HA LEU 708 HA LEU 708 -3.487 -0.907 5.079 611 HB2 LEU 708 HB2 LEU 708 -5.642 -1.946 3.280 612 HB3 LEU 708 HB1 LEU 708 -3.996 -2.499 3.064 613 HG LEU 708 HG LEU 708 -5.317 -4.070 4.404 614 HD11 LEU 708 HD11 LEU 708 -3.182 -2.692 6.016 615 HD12 LEU 708 HD12 LEU 708 -2.908 -3.896 4.757 616 HD13 LEU 708 HD13 LEU 708 -3.760 -4.343 6.234 617 HD21 LEU 708 HD21 LEU 708 -6.023 -3.472 6.674 618 HD22 LEU 708 HD22 LEU 708 -6.867 -2.522 5.453 619 HD23 LEU 708 HD23 LEU 708 -5.550 -1.799 6.375 620 H ALA 709 HN ALA 709 -5.221 0.462 2.337 621 HA ALA 709 HA ALA 709 -3.065 0.710 0.569 622 HB1 ALA 709 HB1 ALA 709 -4.403 2.409 -0.575 623 HB2 ALA 709 HB2 ALA 709 -5.494 2.481 0.809 624 HB3 ALA 709 HB3 ALA 709 -5.374 1.001 -0.145 625 H ASN 710 HN ASN 710 -4.250 2.872 3.109 626 HA ASN 710 HA ASN 710 -2.461 4.998 2.663 627 HB2 ASN 710 HB2 ASN 710 -4.350 5.310 4.136 628 HB3 ASN 710 HB1 ASN 710 -3.785 4.038 5.208 629 HD21 ASN 710 HD21 ASN 710 -3.321 7.336 4.175 630 HD22 ASN 710 HD22 ASN 710 -2.292 7.796 5.488 631 H GLN 711 HN GLN 711 -2.232 2.223 4.885 632 HA GLN 711 HA GLN 711 0.266 2.751 5.960 633 HB2 GLN 711 HB2 GLN 711 -1.232 0.998 6.796 634 HB3 GLN 711 HB1 GLN 711 -0.963 0.059 5.335 635 HG2 GLN 711 HG2 GLN 711 1.471 0.005 5.949 636 HG3 GLN 711 HG1 GLN 711 1.015 0.706 7.500 637 HE21 GLN 711 HE21 GLN 711 -0.963 -1.632 5.776 638 HE22 GLN 711 HE22 GLN 711 -0.736 -2.930 6.896 639 H TYR 712 HN TYR 712 -0.454 0.585 3.224 640 HA TYR 712 HA TYR 712 2.222 0.081 2.591 641 HB2 TYR 712 HB2 TYR 712 -0.184 -0.058 0.773 642 HB3 TYR 712 HB1 TYR 712 1.400 -0.762 0.423 643 HD1 TYR 712 HD1 TYR 712 2.045 -1.786 3.193 644 HD2 TYR 712 HD2 TYR 712 -1.505 -2.002 0.875 645 HE1 TYR 712 HE1 TYR 712 1.390 -3.824 4.394 646 HE2 TYR 712 HE2 TYR 712 -2.170 -4.041 2.071 647 HH TYR 712 HH TYR 712 -0.630 -5.085 4.918 648 H TYR 713 HN TYR 713 0.131 2.740 1.572 649 HA TYR 713 HA TYR 713 1.949 3.720 -0.409 650 HB2 TYR 713 HB2 TYR 713 -0.527 4.317 -0.177 651 HB3 TYR 713 HB1 TYR 713 -0.051 5.376 1.144 652 HD1 TYR 713 HD1 TYR 713 0.425 7.595 0.662 653 HD2 TYR 713 HD2 TYR 713 0.793 4.690 -2.424 654 HE1 TYR 713 HE1 TYR 713 0.893 9.384 -0.959 655 HE2 TYR 713 HE2 TYR 713 1.264 6.469 -4.053 656 HH TYR 713 HH TYR 713 2.044 9.622 -3.155 657 H GLN 714 HN GLN 714 1.417 4.302 3.015 658 HA GLN 714 HA GLN 714 3.335 6.335 3.405 659 HB2 GLN 714 HB2 GLN 714 1.592 5.825 5.043 660 HB3 GLN 714 HB1 GLN 714 2.279 4.229 5.306 661 HG2 GLN 714 HG2 GLN 714 4.334 5.306 6.164 662 HG3 GLN 714 HG1 GLN 714 3.537 6.870 5.999 663 HE21 GLN 714 HE21 GLN 714 0.927 5.723 6.778 664 HE22 GLN 714 HE22 GLN 714 1.009 5.505 8.491 665 H LYS 715 HN LYS 715 3.573 2.928 2.965 666 HA LYS 715 HA LYS 715 6.252 2.799 4.121 667 HB2 LYS 715 HB2 LYS 715 4.161 0.849 3.544 668 HB3 LYS 715 HB1 LYS 715 5.729 0.335 2.935 669 HG2 LYS 715 HG2 LYS 715 5.307 -0.526 5.177 670 HG3 LYS 715 HG1 LYS 715 6.696 0.562 5.158 671 HD2 LYS 715 HD2 LYS 715 5.292 2.366 6.048 672 HD3 LYS 715 HD1 LYS 715 3.898 1.284 6.052 673 HE2 LYS 715 HE2 LYS 715 4.884 1.465 8.283 674 HE3 LYS 715 HE1 LYS 715 5.017 -0.175 7.649 675 HZ1 LYS 715 HZ1 LYS 715 7.211 1.829 7.527 676 HZ2 LYS 715 HZ2 LYS 715 7.302 0.180 7.149 677 HZ3 LYS 715 HZ3 LYS 715 7.053 0.665 8.747 678 H ALA 716 HN ALA 716 4.571 2.948 1.096 679 HA ALA 716 HA ALA 716 6.755 2.345 -0.592 680 HB1 ALA 716 HB1 ALA 716 4.467 2.382 -1.430 681 HB2 ALA 716 HB2 ALA 716 5.472 3.520 -2.329 682 HB3 ALA 716 HB3 ALA 716 4.361 4.111 -1.094 683 H GLU 717 HN GLU 717 5.452 5.406 0.676 684 HA GLU 717 HA GLU 717 7.449 7.072 -0.369 685 HB2 GLU 717 HB2 GLU 717 5.800 7.345 2.143 686 HB3 GLU 717 HB1 GLU 717 6.829 8.614 1.502 687 HG2 GLU 717 HG2 GLU 717 5.474 8.556 -0.587 688 HG3 GLU 717 HG1 GLU 717 4.381 7.431 0.222 689 H GLU 718 HN GLU 718 7.186 5.368 2.726 690 HA GLU 718 HA GLU 718 9.545 6.182 3.935 691 HB2 GLU 718 HB2 GLU 718 7.817 4.822 5.029 692 HB3 GLU 718 HB1 GLU 718 8.234 3.463 4.001 693 HG2 GLU 718 HG2 GLU 718 10.500 3.467 5.008 694 HG3 GLU 718 HG1 GLU 718 9.947 4.720 6.123 695 H ALA 719 HN ALA 719 8.995 3.454 1.743 696 HA ALA 719 HA ALA 719 11.590 2.424 1.752 697 HB1 ALA 719 HB1 ALA 719 9.508 2.311 -0.413 698 HB2 ALA 719 HB2 ALA 719 9.710 1.167 0.913 699 HB3 ALA 719 HB3 ALA 719 10.950 1.303 -0.334 700 H TRP 720 HN TRP 720 10.097 4.815 -0.439 701 HA TRP 720 HA TRP 720 12.546 5.038 -1.933 702 HB2 TRP 720 HB2 TRP 720 9.969 6.599 -2.040 703 HB3 TRP 720 HB1 TRP 720 11.361 6.987 -3.050 704 HD1 TRP 720 HD1 TRP 720 12.098 3.783 -3.523 705 HE1 TRP 720 HE1 TRP 720 10.711 2.511 -5.273 706 HE3 TRP 720 HE3 TRP 720 7.997 6.862 -3.736 707 HZ2 TRP 720 HZ2 TRP 720 8.232 2.774 -6.579 708 HZ3 TRP 720 HZ3 TRP 720 6.173 6.274 -5.267 709 HH2 TRP 720 HH2 TRP 720 6.287 4.272 -6.663 710 H ALA 721 HN ALA 721 11.114 6.730 0.752 711 HA ALA 721 HA ALA 721 12.948 8.920 0.736 712 HB1 ALA 721 HB1 ALA 721 12.182 9.330 3.026 713 HB2 ALA 721 HB2 ALA 721 11.347 7.774 3.025 714 HB3 ALA 721 HB3 ALA 721 10.827 9.057 1.932 715 H GLN 722 HN GLN 722 13.058 5.647 1.790 716 HA GLN 722 HA GLN 722 15.225 5.728 3.562 717 HB2 GLN 722 HB2 GLN 722 13.697 3.777 3.122 718 HB3 GLN 722 HB1 GLN 722 14.570 3.509 1.621 719 HG2 GLN 722 HG2 GLN 722 15.406 1.992 3.250 720 HG3 GLN 722 HG1 GLN 722 16.644 3.208 2.941 721 HE21 GLN 722 HE21 GLN 722 13.821 3.883 4.879 722 HE22 GLN 722 HE22 GLN 722 14.648 3.995 6.390 723 H MET 723 HN MET 723 15.088 6.120 0.137 724 HA MET 723 HA MET 723 17.778 5.367 -0.447 725 HB2 MET 723 HB2 MET 723 15.946 7.200 -2.006 726 HB3 MET 723 HB1 MET 723 17.434 6.486 -2.607 727 HG2 MET 723 HG2 MET 723 16.396 4.239 -2.257 728 HG3 MET 723 HG1 MET 723 14.887 5.062 -1.880 729 HE1 MET 723 HE1 MET 723 13.820 6.898 -3.686 730 HE2 MET 723 HE2 MET 723 14.370 7.003 -5.357 731 HE3 MET 723 HE3 MET 723 15.403 7.583 -4.051 732 H GLU 724 HN GLU 724 16.362 8.113 0.984 733 HA GLU 724 HA GLU 724 18.918 9.547 0.762 734 HB2 GLU 724 HB2 GLU 724 17.631 11.659 0.971 735 HB3 GLU 724 HB1 GLU 724 17.258 10.765 -0.497 736 HG2 GLU 724 HG2 GLU 724 15.196 9.978 0.437 737 HG3 GLU 724 HG1 GLU 724 15.588 10.687 2.004 738 H GLU 725 HN GLU 725 17.955 7.601 2.725 739 HA GLU 725 HA GLU 725 17.348 9.138 5.109 740 HB2 GLU 725 HB2 GLU 725 16.330 6.886 4.641 741 HB3 GLU 725 HB1 GLU 725 17.920 6.177 4.873 742 HG2 GLU 725 HG2 GLU 725 16.629 5.912 6.874 743 HG3 GLU 725 HG1 GLU 725 17.937 7.054 7.177 Start of MODEL 15 1 H1 GLY 623 HT1 GLY 623 -8.256 -0.464 -9.770 2 H2 GLY 623 HT2 GLY 623 -9.105 -1.547 -10.757 3 H3 GLY 623 HT3 GLY 623 -9.389 -1.515 -9.087 4 HA2 GLY 623 HA1 GLY 623 -9.939 0.748 -10.923 5 HA3 GLY 623 HA2 GLY 623 -11.147 -0.412 -10.390 6 H SER 624 HN SER 624 -11.068 2.470 -9.980 7 HA SER 624 HA SER 624 -10.573 2.915 -7.189 8 HB2 SER 624 HB2 SER 624 -10.540 4.750 -8.868 9 HB3 SER 624 HB1 SER 624 -12.262 4.510 -9.140 10 HG SER 624 HG SER 624 -11.374 6.179 -7.510 11 H HIS 625 HN HIS 625 -11.951 2.574 -5.512 12 HA HIS 625 HA HIS 625 -14.617 1.554 -6.228 13 HB2 HIS 625 HB2 HIS 625 -12.876 0.693 -3.909 14 HB3 HIS 625 HB1 HIS 625 -14.495 0.093 -4.252 15 HD1 HIS 625 HD1 HIS 625 -14.431 -0.653 -7.122 16 HD2 HIS 625 HD2 HIS 625 -11.155 -1.243 -4.634 17 HE1 HIS 625 HE1 HIS 625 -13.053 -2.429 -8.230 18 HE2 HIS 625 HE2 HIS 625 -10.949 -2.552 -6.858 19 H MET 626 HN MET 626 -16.038 3.058 -5.788 20 HA MET 626 HA MET 626 -15.806 4.933 -3.647 21 HB2 MET 626 HB2 MET 626 -17.129 5.429 -5.661 22 HB3 MET 626 HB1 MET 626 -18.218 4.101 -5.281 23 HG2 MET 626 HG2 MET 626 -18.913 5.240 -3.243 24 HG3 MET 626 HG1 MET 626 -17.804 6.562 -3.596 25 HE1 MET 626 HE1 MET 626 -21.341 8.158 -4.184 26 HE2 MET 626 HE2 MET 626 -19.818 8.280 -3.302 27 HE3 MET 626 HE3 MET 626 -20.922 6.944 -2.974 28 H SER 627 HN SER 627 -15.606 3.975 -1.695 29 HA SER 627 HA SER 627 -17.083 1.621 -0.982 30 HB2 SER 627 HB2 SER 627 -15.482 3.403 0.856 31 HB3 SER 627 HB1 SER 627 -15.829 1.684 1.046 32 HG SER 627 HG SER 627 -14.578 2.260 -1.315 33 HA PRO 628 HA PRO 628 -20.496 4.199 0.450 34 HB2 PRO 628 HB2 PRO 628 -22.395 2.323 0.343 35 HB3 PRO 628 HB1 PRO 628 -21.728 3.033 -1.132 36 HG2 PRO 628 HG2 PRO 628 -21.124 0.401 0.144 37 HG3 PRO 628 HG1 PRO 628 -21.322 0.796 -1.571 38 HD2 PRO 628 HD2 PRO 628 -18.889 0.529 -0.284 39 HD3 PRO 628 HD1 PRO 628 -19.146 1.433 -1.789 40 H ASP 629 HN ASP 629 -18.781 1.856 1.942 41 HA ASP 629 HA ASP 629 -20.447 1.420 4.256 42 HB2 ASP 629 HB2 ASP 629 -17.609 0.645 3.574 43 HB3 ASP 629 HB1 ASP 629 -18.327 0.315 5.145 44 H ARG 630 HN ARG 630 -19.770 4.163 3.594 45 HA ARG 630 HA ARG 630 -19.094 6.108 4.550 46 HB2 ARG 630 HB2 ARG 630 -20.295 5.078 6.519 47 HB3 ARG 630 HB1 ARG 630 -18.735 4.509 7.091 48 HG2 ARG 630 HG2 ARG 630 -17.951 6.815 7.258 49 HG3 ARG 630 HG1 ARG 630 -19.517 7.385 6.675 50 HD2 ARG 630 HD2 ARG 630 -20.611 6.398 8.607 51 HD3 ARG 630 HD1 ARG 630 -19.064 5.779 9.184 52 HE ARG 630 HE ARG 630 -18.781 8.525 8.879 53 HH11 ARG 630 HH11 ARG 630 -20.701 6.315 10.783 54 HH12 ARG 630 HH12 ARG 630 -20.830 7.388 12.141 55 HH21 ARG 630 HH21 ARG 630 -18.943 9.950 10.669 56 HH22 ARG 630 HH22 ARG 630 -19.827 9.453 12.078 57 H CYS 631 HN CYS 631 -17.225 4.434 3.229 58 HA CYS 631 HA CYS 631 -14.754 5.263 4.584 59 HB2 CYS 631 HB2 CYS 631 -15.124 2.921 2.704 60 HB3 CYS 631 HB1 CYS 631 -13.614 3.397 3.473 61 HG CYS 631 HG CYS 631 -15.155 3.074 6.070 62 H GLN 632 HN GLN 632 -15.506 7.274 3.404 63 HA GLN 632 HA GLN 632 -14.661 7.214 0.586 64 HB2 GLN 632 HB2 GLN 632 -16.499 9.134 2.015 65 HB3 GLN 632 HB1 GLN 632 -16.032 9.256 0.324 66 HG2 GLN 632 HG2 GLN 632 -17.140 7.168 -0.169 67 HG3 GLN 632 HG1 GLN 632 -17.528 6.941 1.538 68 HE21 GLN 632 HE21 GLN 632 -18.222 8.769 -1.342 69 HE22 GLN 632 HE22 GLN 632 -19.715 9.445 -0.791 70 H ASP 633 HN ASP 633 -13.617 8.086 3.596 71 HA ASP 633 HA ASP 633 -12.541 10.675 3.010 72 HB2 ASP 633 HB2 ASP 633 -13.125 10.040 5.308 73 HB3 ASP 633 HB1 ASP 633 -11.900 8.776 5.275 74 H TRP 634 HN TRP 634 -11.360 7.377 2.863 75 HA TRP 634 HA TRP 634 -8.617 8.104 2.612 76 HB2 TRP 634 HB2 TRP 634 -8.173 5.790 2.121 77 HB3 TRP 634 HB1 TRP 634 -9.359 5.861 3.413 78 HD1 TRP 634 HD1 TRP 634 -11.853 5.027 2.833 79 HE1 TRP 634 HE1 TRP 634 -12.738 3.467 0.989 80 HE3 TRP 634 HE3 TRP 634 -7.816 5.110 -0.312 81 HZ2 TRP 634 HZ2 TRP 634 -11.841 2.402 -1.462 82 HZ3 TRP 634 HZ3 TRP 634 -7.912 3.790 -2.383 83 HH2 TRP 634 HH2 TRP 634 -9.883 2.463 -2.946 84 H LEU 635 HN LEU 635 -11.278 7.834 0.443 85 HA LEU 635 HA LEU 635 -9.913 7.652 -2.007 86 HB2 LEU 635 HB2 LEU 635 -12.503 9.074 -1.366 87 HB3 LEU 635 HB1 LEU 635 -11.947 8.666 -2.977 88 HG LEU 635 HG LEU 635 -12.599 6.637 -0.835 89 HD11 LEU 635 HD11 LEU 635 -14.198 7.524 -3.231 90 HD12 LEU 635 HD12 LEU 635 -14.598 7.830 -1.541 91 HD13 LEU 635 HD13 LEU 635 -14.601 6.180 -2.163 92 HD21 LEU 635 HD21 LEU 635 -12.569 5.068 -2.762 93 HD22 LEU 635 HD22 LEU 635 -10.993 5.760 -2.383 94 HD23 LEU 635 HD23 LEU 635 -11.916 6.369 -3.758 95 H GLU 636 HN GLU 636 -10.955 10.435 -0.090 96 HA GLU 636 HA GLU 636 -9.815 12.393 -1.799 97 HB2 GLU 636 HB2 GLU 636 -10.569 12.508 1.122 98 HB3 GLU 636 HB1 GLU 636 -10.096 13.905 0.164 99 HG2 GLU 636 HG2 GLU 636 -12.019 13.519 -1.310 100 HG3 GLU 636 HG1 GLU 636 -12.495 12.152 -0.299 101 H ALA 637 HN ALA 637 -8.689 10.602 0.995 102 HA ALA 637 HA ALA 637 -6.327 11.965 1.538 103 HB1 ALA 637 HB1 ALA 637 -6.785 8.994 1.763 104 HB2 ALA 637 HB2 ALA 637 -7.279 10.189 2.963 105 HB3 ALA 637 HB3 ALA 637 -5.566 9.940 2.620 106 H LEU 638 HN LEU 638 -6.925 9.270 -0.697 107 HA LEU 638 HA LEU 638 -4.265 9.104 -1.644 108 HB2 LEU 638 HB2 LEU 638 -6.884 8.005 -2.419 109 HB3 LEU 638 HB1 LEU 638 -5.731 8.152 -3.728 110 HG LEU 638 HG LEU 638 -5.719 5.913 -2.704 111 HD11 LEU 638 HD11 LEU 638 -3.166 7.424 -2.190 112 HD12 LEU 638 HD12 LEU 638 -3.703 6.854 -3.768 113 HD13 LEU 638 HD13 LEU 638 -3.334 5.696 -2.489 114 HD21 LEU 638 HD21 LEU 638 -6.290 6.574 -0.410 115 HD22 LEU 638 HD22 LEU 638 -4.702 7.317 -0.236 116 HD23 LEU 638 HD23 LEU 638 -4.839 5.574 -0.468 117 H HIS 639 HN HIS 639 -6.837 11.277 -2.358 118 HA HIS 639 HA HIS 639 -5.820 12.068 -4.933 119 HB2 HIS 639 HB2 HIS 639 -8.229 12.222 -4.400 120 HB3 HIS 639 HB1 HIS 639 -7.869 13.426 -3.167 121 HD1 HIS 639 HD1 HIS 639 -8.191 15.748 -3.933 122 HD2 HIS 639 HD2 HIS 639 -7.252 13.200 -7.079 123 HE1 HIS 639 HE1 HIS 639 -8.215 17.183 -5.994 124 HE2 HIS 639 HE2 HIS 639 -7.470 15.657 -7.855 125 H TRP 640 HN TRP 640 -5.347 12.997 -1.628 126 HA TRP 640 HA TRP 640 -3.793 15.333 -2.519 127 HB2 TRP 640 HB2 TRP 640 -5.113 14.797 0.145 128 HB3 TRP 640 HB1 TRP 640 -4.065 16.172 -0.177 129 HD1 TRP 640 HD1 TRP 640 -7.549 14.814 -0.945 130 HE1 TRP 640 HE1 TRP 640 -8.994 16.708 -1.920 131 HE3 TRP 640 HE3 TRP 640 -3.931 18.399 -1.485 132 HZ2 TRP 640 HZ2 TRP 640 -8.642 19.363 -2.804 133 HZ3 TRP 640 HZ3 TRP 640 -4.576 20.590 -2.405 134 HH2 TRP 640 HH2 TRP 640 -6.882 21.058 -3.047 135 H TYR 641 HN TYR 641 -3.222 12.277 -1.892 136 HA TYR 641 HA TYR 641 -0.610 12.891 -0.696 137 HB2 TYR 641 HB2 TYR 641 -2.040 11.698 0.951 138 HB3 TYR 641 HB1 TYR 641 -2.216 10.373 -0.193 139 HD1 TYR 641 HD1 TYR 641 0.828 12.325 0.718 140 HD2 TYR 641 HD2 TYR 641 -1.161 8.566 0.807 141 HE1 TYR 641 HE1 TYR 641 2.859 11.278 1.622 142 HE2 TYR 641 HE2 TYR 641 0.867 7.508 1.713 143 HH TYR 641 HH TYR 641 3.502 9.310 2.906 144 H ASN 642 HN ASN 642 0.182 13.087 -2.801 145 HA ASN 642 HA ASN 642 0.004 10.797 -4.585 146 HB2 ASN 642 HB2 ASN 642 -0.279 13.043 -5.533 147 HB3 ASN 642 HB1 ASN 642 1.321 13.498 -4.954 148 HD21 ASN 642 HD21 ASN 642 2.049 13.965 -7.045 149 HD22 ASN 642 HD22 ASN 642 2.394 12.717 -8.190 150 H THR 643 HN THR 643 1.358 9.180 -4.125 151 HA THR 643 HA THR 643 4.071 9.776 -3.225 152 HB THR 643 HB THR 643 4.140 7.205 -2.998 153 HG1 THR 643 HG1 THR 643 1.638 6.763 -2.534 154 HG21 THR 643 HG21 THR 643 3.000 7.304 -0.826 155 HG22 THR 643 HG22 THR 643 2.271 8.843 -1.283 156 HG23 THR 643 HG23 THR 643 4.019 8.718 -1.088 157 H ALA 644 HN ALA 644 2.663 7.371 -5.468 158 HA ALA 644 HA ALA 644 5.036 7.747 -7.169 159 HB1 ALA 644 HB1 ALA 644 4.952 5.543 -6.134 160 HB2 ALA 644 HB2 ALA 644 4.747 5.425 -7.881 161 HB3 ALA 644 HB3 ALA 644 3.349 5.275 -6.817 162 H LEU 645 HN LEU 645 3.302 9.557 -7.727 163 HA LEU 645 HA LEU 645 1.940 10.491 -9.275 164 HB2 LEU 645 HB2 LEU 645 2.872 8.134 -10.913 165 HB3 LEU 645 HB1 LEU 645 1.993 9.505 -11.563 166 HG LEU 645 HG LEU 645 4.700 9.693 -10.238 167 HD11 LEU 645 HD11 LEU 645 4.795 8.415 -12.328 168 HD12 LEU 645 HD12 LEU 645 5.596 9.979 -12.475 169 HD13 LEU 645 HD13 LEU 645 3.991 9.741 -13.167 170 HD21 LEU 645 HD21 LEU 645 3.423 11.752 -10.083 171 HD22 LEU 645 HD22 LEU 645 3.080 11.693 -11.811 172 HD23 LEU 645 HD23 LEU 645 4.734 11.934 -11.246 173 H GLU 646 HN GLU 646 0.470 9.412 -7.485 174 HA GLU 646 HA GLU 646 -1.195 7.261 -8.329 175 HB2 GLU 646 HB2 GLU 646 -1.384 9.241 -6.069 176 HB3 GLU 646 HB1 GLU 646 -2.611 8.014 -6.352 177 HG2 GLU 646 HG2 GLU 646 0.294 7.562 -5.718 178 HG3 GLU 646 HG1 GLU 646 -1.092 7.224 -4.680 179 H MET 647 HN MET 647 -2.168 7.690 -10.226 180 HA MET 647 HA MET 647 -4.035 9.961 -10.277 181 HB2 MET 647 HB2 MET 647 -2.717 8.451 -12.541 182 HB3 MET 647 HB1 MET 647 -4.010 9.622 -12.772 183 HG2 MET 647 HG2 MET 647 -2.646 11.380 -11.852 184 HG3 MET 647 HG1 MET 647 -1.369 10.229 -11.468 185 HE1 MET 647 HE1 MET 647 0.301 11.960 -12.717 186 HE2 MET 647 HE2 MET 647 -1.073 12.988 -13.119 187 HE3 MET 647 HE3 MET 647 0.055 12.493 -14.380 188 H THR 648 HN THR 648 -5.719 9.023 -9.254 189 HA THR 648 HA THR 648 -6.562 6.344 -9.805 190 HB THR 648 HB THR 648 -8.248 8.320 -8.307 191 HG1 THR 648 HG1 THR 648 -5.822 7.112 -7.378 192 HG21 THR 648 HG21 THR 648 -7.536 5.422 -7.828 193 HG22 THR 648 HG22 THR 648 -9.025 6.006 -8.568 194 HG23 THR 648 HG23 THR 648 -8.675 6.380 -6.882 195 H ASP 649 HN ASP 649 -6.726 7.065 -12.190 196 HA ASP 649 HA ASP 649 -9.467 7.996 -12.740 197 HB2 ASP 649 HB2 ASP 649 -7.013 7.991 -14.514 198 HB3 ASP 649 HB1 ASP 649 -8.629 8.414 -15.067 199 H CYS 650 HN CYS 650 -10.019 5.753 -12.064 200 HA CYS 650 HA CYS 650 -10.136 4.032 -14.391 201 HB2 CYS 650 HB2 CYS 650 -8.027 3.348 -13.318 202 HB3 CYS 650 HB1 CYS 650 -8.879 3.088 -11.799 203 HG CYS 650 HG CYS 650 -8.659 1.115 -14.495 204 H ASP 651 HN ASP 651 -12.320 4.064 -14.432 205 HA ASP 651 HA ASP 651 -13.865 3.726 -11.999 206 HB2 ASP 651 HB2 ASP 651 -14.730 4.068 -14.879 207 HB3 ASP 651 HB1 ASP 651 -15.837 3.941 -13.518 208 H GLU 652 HN GLU 652 -12.224 1.559 -12.613 209 HA GLU 652 HA GLU 652 -13.842 -0.553 -13.737 210 HB2 GLU 652 HB2 GLU 652 -11.454 -0.663 -14.065 211 HB3 GLU 652 HB1 GLU 652 -11.161 -0.531 -12.340 212 HG2 GLU 652 HG2 GLU 652 -12.339 -2.730 -12.076 213 HG3 GLU 652 HG1 GLU 652 -12.327 -2.857 -13.836 214 H GLY 653 HN GLY 653 -15.587 -1.087 -12.558 215 HA2 GLY 653 HA2 GLY 653 -16.842 -1.867 -10.801 216 HA3 GLY 653 HA1 GLY 653 -15.336 -2.245 -9.976 217 H GLY 654 HN GLY 654 -17.293 0.556 -10.921 218 HA2 GLY 654 HA2 GLY 654 -16.216 2.480 -9.293 219 HA3 GLY 654 HA1 GLY 654 -17.901 2.446 -9.778 220 H GLU 655 HN GLU 655 -19.293 0.918 -8.432 221 HA GLU 655 HA GLU 655 -18.640 1.411 -5.626 222 HB2 GLU 655 HB2 GLU 655 -20.850 2.125 -6.713 223 HB3 GLU 655 HB1 GLU 655 -21.274 0.421 -6.705 224 HG2 GLU 655 HG2 GLU 655 -20.969 0.389 -4.261 225 HG3 GLU 655 HG1 GLU 655 -20.651 2.123 -4.304 226 H TYR 656 HN TYR 656 -17.234 -0.636 -6.950 227 HA TYR 656 HA TYR 656 -18.413 -3.170 -6.257 228 HB2 TYR 656 HB2 TYR 656 -16.878 -2.989 -8.179 229 HB3 TYR 656 HB1 TYR 656 -15.581 -2.501 -7.096 230 HD1 TYR 656 HD1 TYR 656 -17.849 -5.320 -7.931 231 HD2 TYR 656 HD2 TYR 656 -14.256 -4.112 -5.999 232 HE1 TYR 656 HE1 TYR 656 -17.224 -7.678 -7.627 233 HE2 TYR 656 HE2 TYR 656 -13.622 -6.469 -5.689 234 HH TYR 656 HH TYR 656 -14.677 -8.663 -5.583 235 H ASP 657 HN ASP 657 -18.844 -2.821 -4.056 236 HA ASP 657 HA ASP 657 -16.542 -2.623 -2.273 237 HB2 ASP 657 HB2 ASP 657 -18.137 -2.247 -0.504 238 HB3 ASP 657 HB1 ASP 657 -18.577 -1.232 -1.871 239 H GLY 658 HN GLY 658 -18.279 -4.990 -3.805 240 HA2 GLY 658 HA2 GLY 658 -18.403 -6.902 -1.645 241 HA3 GLY 658 HA1 GLY 658 -18.847 -7.188 -3.319 242 H MET 659 HN MET 659 -15.951 -6.467 -1.407 243 HA MET 659 HA MET 659 -14.160 -7.821 -3.139 244 HB2 MET 659 HB2 MET 659 -13.528 -6.046 -1.499 245 HB3 MET 659 HB1 MET 659 -13.847 -7.179 -0.197 246 HG2 MET 659 HG2 MET 659 -11.810 -7.717 -2.336 247 HG3 MET 659 HG1 MET 659 -11.431 -6.833 -0.862 248 HE1 MET 659 HE1 MET 659 -9.695 -9.152 -1.544 249 HE2 MET 659 HE2 MET 659 -9.696 -10.212 -0.135 250 HE3 MET 659 HE3 MET 659 -9.580 -8.465 0.077 251 H GLN 660 HN GLN 660 -13.664 -9.951 -3.274 252 HA GLN 660 HA GLN 660 -14.138 -11.733 -1.058 253 HB2 GLN 660 HB2 GLN 660 -16.368 -11.549 -2.163 254 HB3 GLN 660 HB1 GLN 660 -15.647 -12.176 -3.638 255 HG2 GLN 660 HG2 GLN 660 -15.051 -14.239 -2.430 256 HG3 GLN 660 HG1 GLN 660 -15.870 -13.610 -1.002 257 HE21 GLN 660 HE21 GLN 660 -17.366 -15.253 -0.949 258 HE22 GLN 660 HE22 GLN 660 -18.637 -15.397 -2.112 259 H ASP 661 HN ASP 661 -11.813 -11.700 -1.463 260 HA ASP 661 HA ASP 661 -11.075 -14.047 -2.932 261 HB2 ASP 661 HB2 ASP 661 -9.465 -13.049 -4.425 262 HB3 ASP 661 HB1 ASP 661 -11.000 -12.239 -4.686 263 H GLU 662 HN GLU 662 -8.809 -14.670 -2.446 264 HA GLU 662 HA GLU 662 -8.089 -14.137 0.230 265 HB2 GLU 662 HB2 GLU 662 -6.403 -15.270 -2.014 266 HB3 GLU 662 HB1 GLU 662 -5.962 -15.295 -0.313 267 HG2 GLU 662 HG2 GLU 662 -8.058 -16.623 0.096 268 HG3 GLU 662 HG1 GLU 662 -8.210 -16.763 -1.654 269 HA PRO 663 HA PRO 663 -6.589 -10.086 -0.279 270 HB2 PRO 663 HB2 PRO 663 -4.771 -10.039 1.825 271 HB3 PRO 663 HB1 PRO 663 -6.499 -9.694 1.957 272 HG2 PRO 663 HG2 PRO 663 -5.015 -12.208 2.587 273 HG3 PRO 663 HG1 PRO 663 -6.421 -11.491 3.406 274 HD2 PRO 663 HD2 PRO 663 -6.647 -13.614 1.747 275 HD3 PRO 663 HD1 PRO 663 -7.920 -12.371 1.863 276 H ARG 664 HN ARG 664 -5.330 -9.657 -1.926 277 HA ARG 664 HA ARG 664 -2.891 -11.070 -2.440 278 HB2 ARG 664 HB2 ARG 664 -4.319 -8.797 -3.815 279 HB3 ARG 664 HB1 ARG 664 -2.782 -9.433 -4.388 280 HG2 ARG 664 HG2 ARG 664 -3.700 -11.434 -5.054 281 HG3 ARG 664 HG1 ARG 664 -5.062 -11.302 -3.940 282 HD2 ARG 664 HD2 ARG 664 -4.759 -9.330 -6.163 283 HD3 ARG 664 HD1 ARG 664 -5.415 -10.933 -6.501 284 HE ARG 664 HE ARG 664 -7.021 -10.296 -4.548 285 HH11 ARG 664 HH11 ARG 664 -5.794 -8.104 -7.006 286 HH12 ARG 664 HH12 ARG 664 -7.220 -7.122 -7.015 287 HH21 ARG 664 HH21 ARG 664 -8.900 -9.019 -4.571 288 HH22 ARG 664 HH22 ARG 664 -8.996 -7.644 -5.635 289 H TYR 665 HN TYR 665 -3.799 -8.007 -1.090 290 HA TYR 665 HA TYR 665 -1.378 -6.643 -1.477 291 HB2 TYR 665 HB2 TYR 665 -2.228 -5.109 0.302 292 HB3 TYR 665 HB1 TYR 665 -3.356 -5.388 -1.019 293 HD1 TYR 665 HD1 TYR 665 -5.296 -6.973 -0.631 294 HD2 TYR 665 HD2 TYR 665 -2.828 -5.556 2.523 295 HE1 TYR 665 HE1 TYR 665 -7.042 -7.567 0.995 296 HE2 TYR 665 HE2 TYR 665 -4.564 -6.149 4.158 297 HH TYR 665 HH TYR 665 -7.267 -8.081 3.361 298 H MET 666 HN MET 666 -2.365 -8.965 0.911 299 HA MET 666 HA MET 666 -0.351 -8.321 2.832 300 HB2 MET 666 HB2 MET 666 -2.011 -10.809 2.399 301 HB3 MET 666 HB1 MET 666 -0.871 -10.624 3.731 302 HG2 MET 666 HG2 MET 666 -2.133 -8.742 4.587 303 HG3 MET 666 HG1 MET 666 -3.243 -8.838 3.222 304 HE1 MET 666 HE1 MET 666 -5.526 -10.040 6.121 305 HE2 MET 666 HE2 MET 666 -5.358 -8.948 4.747 306 HE3 MET 666 HE3 MET 666 -4.318 -8.757 6.160 307 H MET 667 HN MET 667 -0.624 -10.613 0.178 308 HA MET 667 HA MET 667 1.876 -11.886 0.636 309 HB2 MET 667 HB2 MET 667 0.143 -13.002 -0.641 310 HB3 MET 667 HB1 MET 667 0.119 -11.697 -1.816 311 HG2 MET 667 HG2 MET 667 2.421 -12.280 -2.472 312 HG3 MET 667 HG1 MET 667 2.381 -13.629 -1.338 313 HE1 MET 667 HE1 MET 667 -0.705 -12.442 -3.504 314 HE2 MET 667 HE2 MET 667 -0.402 -13.310 -5.006 315 HE3 MET 667 HE3 MET 667 0.701 -12.036 -4.485 316 H LEU 668 HN LEU 668 0.756 -9.314 -1.518 317 HA LEU 668 HA LEU 668 3.243 -8.823 -2.759 318 HB2 LEU 668 HB2 LEU 668 0.692 -7.297 -2.484 319 HB3 LEU 668 HB1 LEU 668 2.115 -6.446 -3.050 320 HG LEU 668 HG LEU 668 2.306 -7.971 -4.950 321 HD11 LEU 668 HD11 LEU 668 0.547 -9.589 -5.451 322 HD12 LEU 668 HD12 LEU 668 -0.197 -9.264 -3.885 323 HD13 LEU 668 HD13 LEU 668 1.404 -9.999 -3.966 324 HD21 LEU 668 HD21 LEU 668 0.974 -5.959 -5.200 325 HD22 LEU 668 HD22 LEU 668 -0.458 -6.820 -4.636 326 HD23 LEU 668 HD23 LEU 668 0.304 -7.277 -6.159 327 H ALA 669 HN ALA 669 1.824 -7.665 0.257 328 HA ALA 669 HA ALA 669 3.838 -5.645 0.655 329 HB1 ALA 669 HB1 ALA 669 1.619 -5.370 1.633 330 HB2 ALA 669 HB2 ALA 669 2.863 -5.397 2.882 331 HB3 ALA 669 HB3 ALA 669 1.859 -6.821 2.604 332 H ARG 670 HN ARG 670 3.304 -8.987 1.554 333 HA ARG 670 HA ARG 670 5.430 -9.239 3.399 334 HB2 ARG 670 HB2 ARG 670 3.602 -10.897 3.107 335 HB3 ARG 670 HB1 ARG 670 4.275 -11.329 1.543 336 HG2 ARG 670 HG2 ARG 670 6.265 -12.190 2.577 337 HG3 ARG 670 HG1 ARG 670 5.725 -11.630 4.162 338 HD2 ARG 670 HD2 ARG 670 4.421 -13.736 2.446 339 HD3 ARG 670 HD1 ARG 670 5.294 -13.996 3.955 340 HE ARG 670 HE ARG 670 3.278 -12.233 4.571 341 HH11 ARG 670 HH11 ARG 670 3.492 -15.492 3.313 342 HH12 ARG 670 HH12 ARG 670 1.934 -15.964 3.911 343 HH21 ARG 670 HH21 ARG 670 1.223 -12.847 5.361 344 HH22 ARG 670 HH22 ARG 670 0.646 -14.459 5.086 345 H GLU 671 HN GLU 671 5.196 -9.641 -0.111 346 HA GLU 671 HA GLU 671 7.900 -10.398 -0.505 347 HB2 GLU 671 HB2 GLU 671 6.119 -10.794 -2.168 348 HB3 GLU 671 HB1 GLU 671 5.955 -9.061 -2.400 349 HG2 GLU 671 HG2 GLU 671 8.107 -8.904 -3.380 350 HG3 GLU 671 HG1 GLU 671 8.498 -10.564 -2.936 351 H ALA 672 HN ALA 672 6.168 -7.304 -0.695 352 HA ALA 672 HA ALA 672 8.283 -5.603 -1.222 353 HB1 ALA 672 HB1 ALA 672 6.043 -4.968 0.686 354 HB2 ALA 672 HB2 ALA 672 5.853 -4.997 -1.063 355 HB3 ALA 672 HB3 ALA 672 6.961 -3.846 -0.317 356 H GLU 673 HN GLU 673 7.239 -6.911 1.921 357 HA GLU 673 HA GLU 673 9.135 -5.513 3.475 358 HB2 GLU 673 HB2 GLU 673 7.555 -8.023 3.914 359 HB3 GLU 673 HB1 GLU 673 8.792 -7.542 5.064 360 HG2 GLU 673 HG2 GLU 673 7.635 -5.383 5.353 361 HG3 GLU 673 HG1 GLU 673 6.361 -5.956 4.277 362 H MET 674 HN MET 674 9.258 -8.591 1.759 363 HA MET 674 HA MET 674 11.827 -9.292 2.813 364 HB2 MET 674 HB2 MET 674 10.309 -10.346 0.424 365 HB3 MET 674 HB1 MET 674 11.834 -11.012 0.994 366 HG2 MET 674 HG2 MET 674 10.689 -11.366 3.220 367 HG3 MET 674 HG1 MET 674 9.179 -10.996 2.392 368 HE1 MET 674 HE1 MET 674 9.696 -12.252 -0.482 369 HE2 MET 674 HE2 MET 674 8.181 -12.481 0.394 370 HE3 MET 674 HE3 MET 674 9.027 -13.871 -0.283 371 H LEU 675 HN LEU 675 10.732 -7.272 0.223 372 HA LEU 675 HA LEU 675 13.363 -7.141 -0.988 373 HB2 LEU 675 HB2 LEU 675 10.682 -6.011 -1.562 374 HB3 LEU 675 HB1 LEU 675 12.056 -5.054 -2.073 375 HG LEU 675 HG LEU 675 11.212 -6.450 -3.890 376 HD11 LEU 675 HD11 LEU 675 13.593 -5.891 -3.807 377 HD12 LEU 675 HD12 LEU 675 13.304 -7.453 -4.572 378 HD13 LEU 675 HD13 LEU 675 13.906 -7.382 -2.917 379 HD21 LEU 675 HD21 LEU 675 11.396 -8.868 -3.827 380 HD22 LEU 675 HD22 LEU 675 10.324 -8.296 -2.548 381 HD23 LEU 675 HD23 LEU 675 11.969 -8.800 -2.160 382 H PHE 676 HN PHE 676 11.497 -5.459 1.407 383 HA PHE 676 HA PHE 676 13.208 -3.125 1.347 384 HB2 PHE 676 HB2 PHE 676 10.763 -2.947 1.802 385 HB3 PHE 676 HB1 PHE 676 11.012 -3.819 3.315 386 HD1 PHE 676 HD1 PHE 676 10.951 -2.487 5.169 387 HD2 PHE 676 HD2 PHE 676 12.639 -0.924 1.586 388 HE1 PHE 676 HE1 PHE 676 11.439 -0.370 6.322 389 HE2 PHE 676 HE2 PHE 676 13.123 1.195 2.733 390 HZ PHE 676 HZ PHE 676 12.496 1.496 5.077 391 H THR 677 HN THR 677 12.379 -5.519 3.893 392 HA THR 677 HA THR 677 14.751 -4.701 5.356 393 HB THR 677 HB THR 677 13.905 -6.321 7.089 394 HG1 THR 677 HG1 THR 677 12.276 -7.028 5.062 395 HG21 THR 677 HG21 THR 677 12.097 -4.883 7.829 396 HG22 THR 677 HG22 THR 677 11.947 -4.204 6.210 397 HG23 THR 677 HG23 THR 677 13.404 -3.908 7.157 398 H GLY 678 HN GLY 678 14.139 -6.837 2.931 399 HA2 GLY 678 HA2 GLY 678 15.696 -8.374 2.058 400 HA3 GLY 678 HA1 GLY 678 16.467 -8.451 3.641 401 H GLY 679 HN GLY 679 15.586 -10.644 1.895 402 HA2 GLY 679 HA2 GLY 679 13.974 -12.043 3.898 403 HA3 GLY 679 HA1 GLY 679 13.342 -11.963 2.261 404 H TYR 680 HN TYR 680 13.570 -14.399 2.930 405 HA TYR 680 HA TYR 680 16.172 -15.546 2.729 406 HB2 TYR 680 HB2 TYR 680 13.459 -16.845 2.375 407 HB3 TYR 680 HB1 TYR 680 14.985 -17.702 2.584 408 HD1 TYR 680 HD1 TYR 680 16.335 -16.985 4.752 409 HD2 TYR 680 HD2 TYR 680 12.141 -16.522 4.238 410 HE1 TYR 680 HE1 TYR 680 16.055 -16.920 7.191 411 HE2 TYR 680 HE2 TYR 680 11.848 -16.450 6.680 412 HH TYR 680 HH TYR 680 12.974 -17.132 8.692 413 H GLY 681 HN GLY 681 17.035 -14.624 0.818 414 HA2 GLY 681 HA2 GLY 681 17.711 -15.372 -1.366 415 HA3 GLY 681 HA1 GLY 681 16.074 -15.965 -1.627 416 H LEU 682 HN LEU 682 15.653 -13.118 -0.142 417 HA LEU 682 HA LEU 682 15.474 -11.662 -2.687 418 HB2 LEU 682 HB2 LEU 682 13.859 -11.412 -0.154 419 HB3 LEU 682 HB1 LEU 682 13.820 -10.206 -1.420 420 HG LEU 682 HG LEU 682 11.890 -11.542 -1.699 421 HD11 LEU 682 HD11 LEU 682 13.911 -12.542 -3.691 422 HD12 LEU 682 HD12 LEU 682 13.080 -10.989 -3.770 423 HD13 LEU 682 HD13 LEU 682 12.161 -12.489 -3.897 424 HD21 LEU 682 HD21 LEU 682 12.531 -13.451 -0.346 425 HD22 LEU 682 HD22 LEU 682 13.667 -13.971 -1.591 426 HD23 LEU 682 HD23 LEU 682 11.934 -13.975 -1.920 427 H GLU 683 HN GLU 683 16.904 -10.096 -2.952 428 HA GLU 683 HA GLU 683 18.493 -9.101 -0.777 429 HB2 GLU 683 HB2 GLU 683 19.626 -7.771 -2.430 430 HB3 GLU 683 HB1 GLU 683 19.347 -9.361 -3.126 431 HG2 GLU 683 HG2 GLU 683 17.382 -8.454 -4.314 432 HG3 GLU 683 HG1 GLU 683 17.767 -6.859 -3.672 433 H LYS 684 HN LYS 684 18.548 -6.880 -0.080 434 HA LYS 684 HA LYS 684 15.885 -5.724 -0.091 435 HB2 LYS 684 HB2 LYS 684 16.593 -4.323 1.710 436 HB3 LYS 684 HB1 LYS 684 17.156 -5.952 2.042 437 HG2 LYS 684 HG2 LYS 684 19.405 -5.315 1.284 438 HG3 LYS 684 HG1 LYS 684 18.827 -3.673 0.992 439 HD2 LYS 684 HD2 LYS 684 18.900 -5.113 3.643 440 HD3 LYS 684 HD1 LYS 684 19.950 -3.785 3.139 441 HE2 LYS 684 HE2 LYS 684 17.956 -2.328 2.959 442 HE3 LYS 684 HE1 LYS 684 16.960 -3.660 3.545 443 HZ1 LYS 684 HZ1 LYS 684 19.046 -2.156 5.012 444 HZ2 LYS 684 HZ2 LYS 684 18.462 -3.649 5.554 445 HZ3 LYS 684 HZ3 LYS 684 17.400 -2.338 5.404 446 H ASP 685 HN ASP 685 15.281 -4.068 -1.253 447 HA ASP 685 HA ASP 685 17.193 -2.122 -2.248 448 HB2 ASP 685 HB2 ASP 685 17.315 -3.798 -4.005 449 HB3 ASP 685 HB1 ASP 685 15.554 -3.852 -4.118 450 HA PRO 686 HA PRO 686 13.540 0.110 -0.815 451 HB2 PRO 686 HB2 PRO 686 15.112 2.344 -2.010 452 HB3 PRO 686 HB1 PRO 686 14.337 2.234 -0.424 453 HG2 PRO 686 HG2 PRO 686 16.965 1.972 -0.651 454 HG3 PRO 686 HG1 PRO 686 16.048 0.945 0.469 455 HD2 PRO 686 HD2 PRO 686 17.213 0.267 -2.209 456 HD3 PRO 686 HD1 PRO 686 17.090 -0.733 -0.738 457 H GLN 687 HN GLN 687 14.925 0.376 -4.043 458 HA GLN 687 HA GLN 687 12.794 1.830 -5.216 459 HB2 GLN 687 HB2 GLN 687 14.997 1.654 -6.277 460 HB3 GLN 687 HB1 GLN 687 14.772 -0.075 -6.482 461 HG2 GLN 687 HG2 GLN 687 14.404 1.120 -8.561 462 HG3 GLN 687 HG1 GLN 687 12.926 0.331 -8.009 463 HE21 GLN 687 HE21 GLN 687 11.186 1.569 -7.383 464 HE22 GLN 687 HE22 GLN 687 11.103 3.275 -7.656 465 H ARG 688 HN ARG 688 13.600 -1.635 -5.189 466 HA ARG 688 HA ARG 688 11.185 -2.462 -6.439 467 HB2 ARG 688 HB2 ARG 688 13.148 -3.958 -4.698 468 HB3 ARG 688 HB1 ARG 688 11.807 -4.720 -5.534 469 HG2 ARG 688 HG2 ARG 688 12.745 -4.063 -7.676 470 HG3 ARG 688 HG1 ARG 688 14.079 -3.249 -6.856 471 HD2 ARG 688 HD2 ARG 688 14.709 -5.423 -5.844 472 HD3 ARG 688 HD1 ARG 688 13.445 -6.197 -6.799 473 HE ARG 688 HE ARG 688 14.863 -4.981 -8.701 474 HH11 ARG 688 HH11 ARG 688 15.840 -7.001 -6.022 475 HH12 ARG 688 HH12 ARG 688 17.304 -7.534 -6.787 476 HH21 ARG 688 HH21 ARG 688 16.773 -5.701 -9.730 477 HH22 ARG 688 HH22 ARG 688 17.832 -6.794 -8.899 478 H SER 689 HN SER 689 12.231 -1.988 -3.121 479 HA SER 689 HA SER 689 10.103 -3.089 -1.739 480 HB2 SER 689 HB2 SER 689 11.514 -0.514 -1.020 481 HB3 SER 689 HB1 SER 689 10.657 -1.594 0.079 482 HG SER 689 HG SER 689 12.857 -2.479 -1.464 483 H GLY 690 HN GLY 690 10.380 0.348 -2.919 484 HA2 GLY 690 HA2 GLY 690 7.760 0.970 -2.029 485 HA3 GLY 690 HA1 GLY 690 8.770 1.925 -3.116 486 H ASP 691 HN ASP 691 9.133 -0.228 -5.030 487 HA ASP 691 HA ASP 691 6.894 0.240 -6.694 488 HB2 ASP 691 HB2 ASP 691 9.198 -0.407 -7.475 489 HB3 ASP 691 HB1 ASP 691 8.882 -2.042 -6.895 490 H LEU 692 HN LEU 692 7.831 -2.546 -4.699 491 HA LEU 692 HA LEU 692 5.489 -4.043 -5.354 492 HB2 LEU 692 HB2 LEU 692 7.929 -4.509 -3.986 493 HB3 LEU 692 HB1 LEU 692 6.625 -4.908 -2.889 494 HG LEU 692 HG LEU 692 7.379 -6.866 -4.135 495 HD11 LEU 692 HD11 LEU 692 5.206 -7.619 -4.940 496 HD12 LEU 692 HD12 LEU 692 4.618 -5.957 -4.922 497 HD13 LEU 692 HD13 LEU 692 5.059 -6.753 -3.412 498 HD21 LEU 692 HD21 LEU 692 8.123 -5.714 -6.163 499 HD22 LEU 692 HD22 LEU 692 6.443 -5.377 -6.583 500 HD23 LEU 692 HD23 LEU 692 7.023 -7.041 -6.530 501 H TYR 693 HN TYR 693 6.404 -1.868 -2.725 502 HA TYR 693 HA TYR 693 4.147 -2.374 -1.098 503 HB2 TYR 693 HB2 TYR 693 6.190 -0.217 -1.236 504 HB3 TYR 693 HB1 TYR 693 4.671 0.171 -0.420 505 HD1 TYR 693 HD1 TYR 693 3.875 -1.792 1.242 506 HD2 TYR 693 HD2 TYR 693 7.900 -1.004 0.114 507 HE1 TYR 693 HE1 TYR 693 4.662 -2.896 3.292 508 HE2 TYR 693 HE2 TYR 693 8.696 -2.108 2.158 509 HH TYR 693 HH TYR 693 6.726 -4.030 4.097 510 H THR 694 HN THR 694 4.677 -0.161 -3.797 511 HA THR 694 HA THR 694 2.156 1.140 -3.462 512 HB THR 694 HB THR 694 2.559 1.907 -5.875 513 HG1 THR 694 HG1 THR 694 5.200 0.981 -5.428 514 HG21 THR 694 HG21 THR 694 4.699 2.515 -3.830 515 HG22 THR 694 HG22 THR 694 3.101 3.258 -3.878 516 HG23 THR 694 HG23 THR 694 4.237 3.527 -5.198 517 H GLN 695 HN GLN 695 3.325 -1.631 -5.325 518 HA GLN 695 HA GLN 695 0.895 -2.138 -6.688 519 HB2 GLN 695 HB2 GLN 695 3.098 -4.003 -5.797 520 HB3 GLN 695 HB1 GLN 695 1.735 -4.510 -6.786 521 HG2 GLN 695 HG2 GLN 695 2.414 -2.907 -8.516 522 HG3 GLN 695 HG1 GLN 695 3.801 -2.452 -7.523 523 HE21 GLN 695 HE21 GLN 695 2.639 -5.736 -7.710 524 HE22 GLN 695 HE22 GLN 695 3.984 -6.367 -8.592 525 H ALA 696 HN ALA 696 2.184 -3.245 -3.566 526 HA ALA 696 HA ALA 696 0.038 -4.851 -2.815 527 HB1 ALA 696 HB1 ALA 696 2.211 -4.824 -1.664 528 HB2 ALA 696 HB2 ALA 696 0.858 -4.639 -0.549 529 HB3 ALA 696 HB3 ALA 696 1.824 -3.235 -1.003 530 H ALA 697 HN ALA 697 0.549 -1.339 -2.399 531 HA ALA 697 HA ALA 697 -1.785 -0.960 -0.838 532 HB1 ALA 697 HB1 ALA 697 -1.394 1.379 -1.142 533 HB2 ALA 697 HB2 ALA 697 -0.361 1.075 -2.536 534 HB3 ALA 697 HB3 ALA 697 0.171 0.595 -0.926 535 H GLU 698 HN GLU 698 -1.048 -0.838 -4.278 536 HA GLU 698 HA GLU 698 -3.517 0.108 -5.193 537 HB2 GLU 698 HB2 GLU 698 -1.543 -0.100 -6.634 538 HB3 GLU 698 HB1 GLU 698 -1.600 -1.849 -6.485 539 HG2 GLU 698 HG2 GLU 698 -3.742 -1.886 -7.646 540 HG3 GLU 698 HG1 GLU 698 -3.704 -0.127 -7.780 541 H ALA 699 HN ALA 699 -2.360 -3.193 -4.545 542 HA ALA 699 HA ALA 699 -4.819 -4.471 -5.151 543 HB1 ALA 699 HB1 ALA 699 -2.572 -5.436 -3.385 544 HB2 ALA 699 HB2 ALA 699 -2.655 -5.640 -5.135 545 HB3 ALA 699 HB3 ALA 699 -3.844 -6.429 -4.098 546 H ALA 700 HN ALA 700 -3.570 -2.869 -2.340 547 HA ALA 700 HA ALA 700 -5.416 -3.933 -0.451 548 HB1 ALA 700 HB1 ALA 700 -4.714 -2.151 1.012 549 HB2 ALA 700 HB2 ALA 700 -3.985 -1.284 -0.339 550 HB3 ALA 700 HB3 ALA 700 -3.304 -2.819 0.192 551 H MET 701 HN MET 701 -5.338 -0.878 -2.298 552 HA MET 701 HA MET 701 -7.916 -0.067 -1.388 553 HB2 MET 701 HB2 MET 701 -7.780 1.711 -2.997 554 HB3 MET 701 HB1 MET 701 -6.193 1.516 -2.267 555 HG2 MET 701 HG2 MET 701 -5.404 0.345 -4.229 556 HG3 MET 701 HG1 MET 701 -7.008 0.435 -4.956 557 HE1 MET 701 HE1 MET 701 -4.405 1.388 -6.484 558 HE2 MET 701 HE2 MET 701 -4.954 2.914 -7.174 559 HE3 MET 701 HE3 MET 701 -6.026 1.514 -7.166 560 H GLU 702 HN GLU 702 -6.737 -2.082 -3.943 561 HA GLU 702 HA GLU 702 -9.111 -2.275 -5.480 562 HB2 GLU 702 HB2 GLU 702 -6.703 -3.102 -5.992 563 HB3 GLU 702 HB1 GLU 702 -7.157 -4.527 -5.072 564 HG2 GLU 702 HG2 GLU 702 -7.485 -5.018 -7.363 565 HG3 GLU 702 HG1 GLU 702 -9.080 -4.826 -6.631 566 H ALA 703 HN ALA 703 -7.861 -3.949 -2.665 567 HA ALA 703 HA ALA 703 -10.107 -5.783 -2.560 568 HB1 ALA 703 HB1 ALA 703 -7.886 -6.635 -2.093 569 HB2 ALA 703 HB2 ALA 703 -8.909 -6.776 -0.664 570 HB3 ALA 703 HB3 ALA 703 -7.706 -5.492 -0.763 571 H MET 704 HN MET 704 -10.305 -2.786 -2.014 572 HA MET 704 HA MET 704 -11.700 -1.475 -0.793 573 HB2 MET 704 HB2 MET 704 -12.602 -4.134 0.318 574 HB3 MET 704 HB1 MET 704 -13.376 -2.603 0.706 575 HG2 MET 704 HG2 MET 704 -13.125 -3.790 -2.049 576 HG3 MET 704 HG1 MET 704 -14.567 -3.834 -1.036 577 HE1 MET 704 HE1 MET 704 -14.482 -0.916 0.300 578 HE2 MET 704 HE2 MET 704 -15.934 -1.698 -0.323 579 HE3 MET 704 HE3 MET 704 -15.536 -0.054 -0.821 580 H LYS 705 HN LYS 705 -9.023 -2.430 0.221 581 HA LYS 705 HA LYS 705 -9.398 -1.853 3.083 582 HB2 LYS 705 HB2 LYS 705 -7.042 -3.112 1.655 583 HB3 LYS 705 HB1 LYS 705 -7.148 -2.822 3.384 584 HG2 LYS 705 HG2 LYS 705 -9.053 -4.593 1.879 585 HG3 LYS 705 HG1 LYS 705 -7.588 -5.172 2.673 586 HD2 LYS 705 HD2 LYS 705 -8.434 -4.272 4.814 587 HD3 LYS 705 HD1 LYS 705 -9.926 -3.799 3.997 588 HE2 LYS 705 HE2 LYS 705 -10.370 -6.130 3.438 589 HE3 LYS 705 HE1 LYS 705 -8.859 -6.615 4.208 590 HZ1 LYS 705 HZ1 LYS 705 -9.735 -5.763 6.313 591 HZ2 LYS 705 HZ2 LYS 705 -10.706 -6.992 5.680 592 HZ3 LYS 705 HZ3 LYS 705 -11.199 -5.380 5.556 593 H GLY 706 HN GLY 706 -9.728 0.385 2.087 594 HA2 GLY 706 HA2 GLY 706 -7.698 1.837 0.850 595 HA3 GLY 706 HA1 GLY 706 -8.993 2.536 1.808 596 H ARG 707 HN ARG 707 -8.264 1.289 4.291 597 HA ARG 707 HA ARG 707 -6.399 3.174 5.254 598 HB2 ARG 707 HB2 ARG 707 -8.166 2.003 6.604 599 HB3 ARG 707 HB1 ARG 707 -7.163 0.562 6.562 600 HG2 ARG 707 HG2 ARG 707 -5.442 1.636 7.818 601 HG3 ARG 707 HG1 ARG 707 -6.259 3.199 7.696 602 HD2 ARG 707 HD2 ARG 707 -7.266 0.751 9.139 603 HD3 ARG 707 HD1 ARG 707 -6.636 2.218 9.883 604 HE ARG 707 HE ARG 707 -8.595 3.338 8.691 605 HH11 ARG 707 HH11 ARG 707 -8.685 0.026 9.836 606 HH12 ARG 707 HH12 ARG 707 -10.398 0.039 10.114 607 HH21 ARG 707 HH21 ARG 707 -10.853 3.347 9.053 608 HH22 ARG 707 HH22 ARG 707 -11.623 1.919 9.676 609 H LEU 708 HN LEU 708 -6.083 -0.278 4.491 610 HA LEU 708 HA LEU 708 -3.372 -0.569 5.165 611 HB2 LEU 708 HB2 LEU 708 -5.224 -2.016 3.303 612 HB3 LEU 708 HB1 LEU 708 -3.516 -2.392 3.285 613 HG LEU 708 HG LEU 708 -4.783 -3.984 4.644 614 HD11 LEU 708 HD11 LEU 708 -2.461 -3.527 5.202 615 HD12 LEU 708 HD12 LEU 708 -3.409 -3.905 6.641 616 HD13 LEU 708 HD13 LEU 708 -2.969 -2.234 6.289 617 HD21 LEU 708 HD21 LEU 708 -5.784 -3.294 6.765 618 HD22 LEU 708 HD22 LEU 708 -6.586 -2.534 5.392 619 HD23 LEU 708 HD23 LEU 708 -5.452 -1.607 6.374 620 H ALA 709 HN ALA 709 -4.987 0.335 2.172 621 HA ALA 709 HA ALA 709 -2.783 0.578 0.499 622 HB1 ALA 709 HB1 ALA 709 -5.086 0.696 -0.298 623 HB2 ALA 709 HB2 ALA 709 -4.145 2.083 -0.849 624 HB3 ALA 709 HB3 ALA 709 -5.280 2.264 0.489 625 H ASN 710 HN ASN 710 -4.346 3.133 2.437 626 HA ASN 710 HA ASN 710 -2.563 5.184 1.882 627 HB2 ASN 710 HB2 ASN 710 -4.669 5.544 3.081 628 HB3 ASN 710 HB1 ASN 710 -4.048 4.659 4.467 629 HD21 ASN 710 HD21 ASN 710 -2.118 6.900 2.576 630 HD22 ASN 710 HD22 ASN 710 -1.951 8.088 3.821 631 H GLN 711 HN GLN 711 -2.430 2.827 4.561 632 HA GLN 711 HA GLN 711 -0.065 3.718 5.723 633 HB2 GLN 711 HB2 GLN 711 -1.219 0.936 5.554 634 HB3 GLN 711 HB1 GLN 711 0.167 1.350 6.550 635 HG2 GLN 711 HG2 GLN 711 -1.193 2.909 7.827 636 HG3 GLN 711 HG1 GLN 711 -2.585 2.545 6.810 637 HE21 GLN 711 HE21 GLN 711 -1.854 -0.320 6.668 638 HE22 GLN 711 HE22 GLN 711 -2.304 -0.985 8.200 639 H TYR 712 HN TYR 712 -0.412 1.071 3.344 640 HA TYR 712 HA TYR 712 2.345 0.679 3.056 641 HB2 TYR 712 HB2 TYR 712 0.092 -0.009 1.178 642 HB3 TYR 712 HB1 TYR 712 1.772 -0.479 0.887 643 HD1 TYR 712 HD1 TYR 712 2.533 -1.081 3.763 644 HD2 TYR 712 HD2 TYR 712 -0.881 -2.134 1.464 645 HE1 TYR 712 HE1 TYR 712 2.217 -3.073 5.162 646 HE2 TYR 712 HE2 TYR 712 -1.207 -4.131 2.857 647 HH TYR 712 HH TYR 712 0.324 -4.587 5.808 648 H TYR 713 HN TYR 713 0.270 3.050 1.479 649 HA TYR 713 HA TYR 713 2.270 3.844 -0.403 650 HB2 TYR 713 HB2 TYR 713 -0.231 5.160 0.629 651 HB3 TYR 713 HB1 TYR 713 0.911 6.076 -0.350 652 HD1 TYR 713 HD1 TYR 713 -2.053 4.399 -0.567 653 HD2 TYR 713 HD2 TYR 713 1.747 4.505 -2.472 654 HE1 TYR 713 HE1 TYR 713 -3.055 3.457 -2.607 655 HE2 TYR 713 HE2 TYR 713 0.753 3.569 -4.518 656 HH TYR 713 HH TYR 713 -2.350 3.571 -5.227 657 H GLN 714 HN GLN 714 1.377 4.893 2.854 658 HA GLN 714 HA GLN 714 3.331 6.920 3.132 659 HB2 GLN 714 HB2 GLN 714 1.398 6.623 4.660 660 HB3 GLN 714 HB1 GLN 714 2.108 5.127 5.248 661 HG2 GLN 714 HG2 GLN 714 2.566 6.783 6.857 662 HG3 GLN 714 HG1 GLN 714 4.078 6.476 6.006 663 HE21 GLN 714 HE21 GLN 714 4.976 8.452 6.489 664 HE22 GLN 714 HE22 GLN 714 4.409 9.935 5.805 665 H LYS 715 HN LYS 715 3.469 3.502 3.113 666 HA LYS 715 HA LYS 715 5.973 3.318 4.569 667 HB2 LYS 715 HB2 LYS 715 3.937 1.563 4.344 668 HB3 LYS 715 HB1 LYS 715 4.934 1.003 3.004 669 HG2 LYS 715 HG2 LYS 715 5.865 1.278 5.860 670 HG3 LYS 715 HG1 LYS 715 5.338 -0.225 5.102 671 HD2 LYS 715 HD2 LYS 715 7.181 -0.176 3.575 672 HD3 LYS 715 HD1 LYS 715 7.640 1.449 4.095 673 HE2 LYS 715 HE2 LYS 715 9.088 -0.296 5.066 674 HE3 LYS 715 HE1 LYS 715 8.210 0.617 6.295 675 HZ1 LYS 715 HZ1 LYS 715 6.624 -1.199 6.463 676 HZ2 LYS 715 HZ2 LYS 715 8.192 -1.752 6.764 677 HZ3 LYS 715 HZ3 LYS 715 7.457 -2.074 5.274 678 H ALA 716 HN ALA 716 4.733 3.074 1.276 679 HA ALA 716 HA ALA 716 7.148 2.545 -0.043 680 HB1 ALA 716 HB1 ALA 716 4.776 4.142 -1.012 681 HB2 ALA 716 HB2 ALA 716 4.972 2.396 -1.153 682 HB3 ALA 716 HB3 ALA 716 6.051 3.478 -2.032 683 H GLU 717 HN GLU 717 5.591 5.622 0.855 684 HA GLU 717 HA GLU 717 7.562 7.345 -0.101 685 HB2 GLU 717 HB2 GLU 717 5.417 8.171 0.718 686 HB3 GLU 717 HB1 GLU 717 5.809 7.632 2.346 687 HG2 GLU 717 HG2 GLU 717 7.696 9.217 2.383 688 HG3 GLU 717 HG1 GLU 717 7.213 9.790 0.788 689 H GLU 718 HN GLU 718 7.231 5.832 3.106 690 HA GLU 718 HA GLU 718 9.553 6.757 4.298 691 HB2 GLU 718 HB2 GLU 718 7.830 5.433 5.452 692 HB3 GLU 718 HB1 GLU 718 8.314 4.010 4.545 693 HG2 GLU 718 HG2 GLU 718 9.259 3.827 6.706 694 HG3 GLU 718 HG1 GLU 718 10.573 4.215 5.596 695 H ALA 719 HN ALA 719 9.122 3.899 2.243 696 HA ALA 719 HA ALA 719 11.695 2.873 2.345 697 HB1 ALA 719 HB1 ALA 719 9.809 1.696 1.331 698 HB2 ALA 719 HB2 ALA 719 11.188 1.765 0.234 699 HB3 ALA 719 HB3 ALA 719 9.813 2.840 -0.011 700 H TRP 720 HN TRP 720 10.369 5.099 -0.116 701 HA TRP 720 HA TRP 720 12.934 5.454 -1.333 702 HB2 TRP 720 HB2 TRP 720 10.346 6.973 -1.685 703 HB3 TRP 720 HB1 TRP 720 11.801 7.292 -2.626 704 HD1 TRP 720 HD1 TRP 720 12.685 4.293 -3.224 705 HE1 TRP 720 HE1 TRP 720 11.302 2.866 -4.854 706 HE3 TRP 720 HE3 TRP 720 8.256 6.864 -3.024 707 HZ2 TRP 720 HZ2 TRP 720 8.698 2.831 -5.923 708 HZ3 TRP 720 HZ3 TRP 720 6.374 6.066 -4.385 709 HH2 TRP 720 HH2 TRP 720 6.590 4.092 -5.808 710 H ALA 721 HN ALA 721 11.263 7.108 1.234 711 HA ALA 721 HA ALA 721 12.867 9.454 1.196 712 HB1 ALA 721 HB1 ALA 721 10.689 9.379 2.307 713 HB2 ALA 721 HB2 ALA 721 11.963 9.892 3.412 714 HB3 ALA 721 HB3 ALA 721 11.334 8.246 3.495 715 H GLN 722 HN GLN 722 13.162 6.319 2.788 716 HA GLN 722 HA GLN 722 15.473 7.173 4.295 717 HB2 GLN 722 HB2 GLN 722 13.873 5.470 5.167 718 HB3 GLN 722 HB1 GLN 722 14.411 4.373 3.903 719 HG2 GLN 722 HG2 GLN 722 16.734 4.612 4.826 720 HG3 GLN 722 HG1 GLN 722 16.020 5.467 6.190 721 HE21 GLN 722 HE21 GLN 722 14.430 2.794 4.598 722 HE22 GLN 722 HE22 GLN 722 14.618 1.657 5.889 723 H MET 723 HN MET 723 14.871 4.825 1.706 724 HA MET 723 HA MET 723 16.204 3.811 0.187 725 HB2 MET 723 HB2 MET 723 17.771 6.359 0.542 726 HB3 MET 723 HB1 MET 723 18.234 5.120 -0.613 727 HG2 MET 723 HG2 MET 723 16.167 5.391 -1.807 728 HG3 MET 723 HG1 MET 723 15.570 6.519 -0.588 729 HE1 MET 723 HE1 MET 723 17.790 9.646 -1.105 730 HE2 MET 723 HE2 MET 723 18.069 8.340 0.044 731 HE3 MET 723 HE3 MET 723 16.431 8.929 -0.241 732 H GLU 724 HN GLU 724 18.921 5.343 1.815 733 HA GLU 724 HA GLU 724 20.343 2.911 2.000 734 HB2 GLU 724 HB2 GLU 724 21.929 4.281 3.408 735 HB3 GLU 724 HB1 GLU 724 21.595 4.920 1.807 736 HG2 GLU 724 HG2 GLU 724 19.915 6.439 2.847 737 HG3 GLU 724 HG1 GLU 724 20.470 5.878 4.423 738 H GLU 725 HN GLU 725 20.243 1.364 3.455 739 HA GLU 725 HA GLU 725 19.550 1.905 6.209 740 HB2 GLU 725 HB2 GLU 725 17.354 1.546 5.061 741 HB3 GLU 725 HB1 GLU 725 17.914 -0.049 4.573 742 HG2 GLU 725 HG2 GLU 725 18.203 -0.584 7.008 743 HG3 GLU 725 HG1 GLU 725 17.389 0.940 7.364 Start of MODEL 16 1 H1 GLY 623 HT1 GLY 623 -22.582 -5.477 15.484 2 H2 GLY 623 HT2 GLY 623 -22.103 -4.966 17.020 3 H3 GLY 623 HT3 GLY 623 -21.075 -5.933 16.089 4 HA2 GLY 623 HA1 GLY 623 -21.913 -3.172 15.424 5 HA3 GLY 623 HA2 GLY 623 -20.343 -3.632 16.070 6 H SER 624 HN SER 624 -20.438 -2.258 13.733 7 HA SER 624 HA SER 624 -20.202 -4.195 11.562 8 HB2 SER 624 HB2 SER 624 -19.897 -2.143 10.159 9 HB3 SER 624 HB1 SER 624 -21.413 -2.148 11.062 10 HG SER 624 HG SER 624 -20.260 -0.131 11.168 11 H HIS 625 HN HIS 625 -18.263 -4.357 10.293 12 HA HIS 625 HA HIS 625 -15.839 -3.912 11.843 13 HB2 HIS 625 HB2 HIS 625 -16.250 -5.221 9.141 14 HB3 HIS 625 HB1 HIS 625 -14.715 -5.140 9.995 15 HD1 HIS 625 HD1 HIS 625 -17.369 -7.395 9.406 16 HD2 HIS 625 HD2 HIS 625 -15.067 -6.432 12.729 17 HE1 HIS 625 HE1 HIS 625 -17.608 -9.342 10.980 18 HE2 HIS 625 HE2 HIS 625 -16.327 -8.667 13.041 19 H MET 626 HN MET 626 -17.038 -1.568 11.199 20 HA MET 626 HA MET 626 -16.816 0.460 10.234 21 HB2 MET 626 HB2 MET 626 -14.100 -0.584 9.415 22 HB3 MET 626 HB1 MET 626 -14.611 1.096 9.327 23 HG2 MET 626 HG2 MET 626 -14.399 -0.541 11.843 24 HG3 MET 626 HG1 MET 626 -13.231 0.659 11.293 25 HE1 MET 626 HE1 MET 626 -13.404 1.840 13.682 26 HE2 MET 626 HE2 MET 626 -14.593 0.645 14.197 27 HE3 MET 626 HE3 MET 626 -14.925 2.365 14.401 28 H SER 627 HN SER 627 -18.401 0.373 8.750 29 HA SER 627 HA SER 627 -18.241 -1.122 6.350 30 HB2 SER 627 HB2 SER 627 -20.282 0.309 5.726 31 HB3 SER 627 HB1 SER 627 -20.423 -0.701 7.164 32 HG SER 627 HG SER 627 -20.266 2.080 6.921 33 HA PRO 628 HA PRO 628 -15.862 1.775 3.950 34 HB2 PRO 628 HB2 PRO 628 -15.998 0.448 1.606 35 HB3 PRO 628 HB1 PRO 628 -15.002 -0.128 2.947 36 HG2 PRO 628 HG2 PRO 628 -17.720 -1.027 2.082 37 HG3 PRO 628 HG1 PRO 628 -16.325 -2.004 2.576 38 HD2 PRO 628 HD2 PRO 628 -18.403 -1.427 4.239 39 HD3 PRO 628 HD1 PRO 628 -16.744 -1.693 4.812 40 H ASP 629 HN ASP 629 -18.027 3.030 4.433 41 HA ASP 629 HA ASP 629 -19.996 3.191 2.413 42 HB2 ASP 629 HB2 ASP 629 -19.190 5.178 4.543 43 HB3 ASP 629 HB1 ASP 629 -20.591 5.376 3.499 44 H ARG 630 HN ARG 630 -17.008 4.959 2.973 45 HA ARG 630 HA ARG 630 -17.442 6.374 0.421 46 HB2 ARG 630 HB2 ARG 630 -15.926 7.246 2.882 47 HB3 ARG 630 HB1 ARG 630 -15.896 8.108 1.352 48 HG2 ARG 630 HG2 ARG 630 -18.267 8.545 1.507 49 HG3 ARG 630 HG1 ARG 630 -18.367 7.590 2.988 50 HD2 ARG 630 HD2 ARG 630 -18.293 10.016 3.422 51 HD3 ARG 630 HD1 ARG 630 -16.936 9.151 4.141 52 HE ARG 630 HE ARG 630 -16.243 10.126 1.575 53 HH11 ARG 630 HH11 ARG 630 -16.790 11.196 4.859 54 HH12 ARG 630 HH12 ARG 630 -15.709 12.546 4.733 55 HH21 ARG 630 HH21 ARG 630 -14.795 11.888 1.410 56 HH22 ARG 630 HH22 ARG 630 -14.589 12.945 2.774 57 H CYS 631 HN CYS 631 -16.342 3.780 0.527 58 HA CYS 631 HA CYS 631 -13.494 3.888 0.634 59 HB2 CYS 631 HB2 CYS 631 -13.621 1.566 -0.235 60 HB3 CYS 631 HB1 CYS 631 -14.602 1.837 1.198 61 HG CYS 631 HG CYS 631 -15.502 0.826 -1.828 62 H GLN 632 HN GLN 632 -15.494 5.152 -1.625 63 HA GLN 632 HA GLN 632 -13.572 4.664 -3.792 64 HB2 GLN 632 HB2 GLN 632 -15.265 5.297 -5.359 65 HB3 GLN 632 HB1 GLN 632 -15.979 4.140 -4.245 66 HG2 GLN 632 HG2 GLN 632 -17.086 5.923 -3.046 67 HG3 GLN 632 HG1 GLN 632 -16.301 7.127 -4.065 68 HE21 GLN 632 HE21 GLN 632 -18.191 7.982 -4.818 69 HE22 GLN 632 HE22 GLN 632 -19.244 7.144 -5.906 70 H ASP 633 HN ASP 633 -14.308 6.862 -1.427 71 HA ASP 633 HA ASP 633 -13.962 9.246 -3.076 72 HB2 ASP 633 HB2 ASP 633 -15.793 9.277 -1.482 73 HB3 ASP 633 HB1 ASP 633 -14.684 8.933 -0.159 74 H TRP 634 HN TRP 634 -12.387 7.557 -0.412 75 HA TRP 634 HA TRP 634 -10.503 9.568 0.176 76 HB2 TRP 634 HB2 TRP 634 -9.302 7.833 1.442 77 HB3 TRP 634 HB1 TRP 634 -11.022 7.832 1.800 78 HD1 TRP 634 HD1 TRP 634 -12.454 5.719 0.903 79 HE1 TRP 634 HE1 TRP 634 -11.730 3.324 0.302 80 HE3 TRP 634 HE3 TRP 634 -7.418 6.475 0.452 81 HZ2 TRP 634 HZ2 TRP 634 -9.352 1.942 -0.295 82 HZ3 TRP 634 HZ3 TRP 634 -5.993 4.560 -0.125 83 HH2 TRP 634 HH2 TRP 634 -6.941 2.343 -0.493 84 H LEU 635 HN LEU 635 -10.695 7.360 -2.391 85 HA LEU 635 HA LEU 635 -8.045 6.867 -3.044 86 HB2 LEU 635 HB2 LEU 635 -10.504 7.220 -4.724 87 HB3 LEU 635 HB1 LEU 635 -8.946 6.949 -5.475 88 HG LEU 635 HG LEU 635 -10.189 4.870 -5.329 89 HD11 LEU 635 HD11 LEU 635 -8.528 3.486 -4.310 90 HD12 LEU 635 HD12 LEU 635 -7.942 4.827 -3.329 91 HD13 LEU 635 HD13 LEU 635 -7.723 4.855 -5.080 92 HD21 LEU 635 HD21 LEU 635 -10.171 5.283 -2.345 93 HD22 LEU 635 HD22 LEU 635 -10.767 3.860 -3.200 94 HD23 LEU 635 HD23 LEU 635 -11.582 5.413 -3.395 95 H GLU 636 HN GLU 636 -10.000 9.736 -3.650 96 HA GLU 636 HA GLU 636 -8.161 11.076 -5.304 97 HB2 GLU 636 HB2 GLU 636 -10.283 12.109 -3.430 98 HB3 GLU 636 HB1 GLU 636 -9.348 13.156 -4.491 99 HG2 GLU 636 HG2 GLU 636 -10.188 11.798 -6.415 100 HG3 GLU 636 HG1 GLU 636 -11.254 10.974 -5.279 101 H ALA 637 HN ALA 637 -8.655 11.172 -1.798 102 HA ALA 637 HA ALA 637 -6.566 12.929 -1.163 103 HB1 ALA 637 HB1 ALA 637 -8.338 12.311 0.408 104 HB2 ALA 637 HB2 ALA 637 -6.738 12.029 1.096 105 HB3 ALA 637 HB3 ALA 637 -7.690 10.673 0.490 106 H LEU 638 HN LEU 638 -6.660 9.452 -1.631 107 HA LEU 638 HA LEU 638 -4.075 8.834 -0.743 108 HB2 LEU 638 HB2 LEU 638 -5.911 7.211 -1.169 109 HB3 LEU 638 HB1 LEU 638 -5.669 7.444 -2.890 110 HG LEU 638 HG LEU 638 -3.304 6.625 -2.571 111 HD11 LEU 638 HD11 LEU 638 -3.030 6.967 -0.214 112 HD12 LEU 638 HD12 LEU 638 -2.916 5.241 -0.549 113 HD13 LEU 638 HD13 LEU 638 -4.393 5.908 0.144 114 HD21 LEU 638 HD21 LEU 638 -4.912 5.179 -3.561 115 HD22 LEU 638 HD22 LEU 638 -5.640 4.818 -1.998 116 HD23 LEU 638 HD23 LEU 638 -4.017 4.235 -2.370 117 H HIS 639 HN HIS 639 -5.229 10.079 -3.806 118 HA HIS 639 HA HIS 639 -2.913 9.554 -5.340 119 HB2 HIS 639 HB2 HIS 639 -5.023 10.149 -6.404 120 HB3 HIS 639 HB1 HIS 639 -5.001 11.729 -5.630 121 HD1 HIS 639 HD1 HIS 639 -3.262 9.755 -8.335 122 HD2 HIS 639 HD2 HIS 639 -3.544 13.664 -6.943 123 HE1 HIS 639 HE1 HIS 639 -2.109 11.177 -10.062 124 HE2 HIS 639 HE2 HIS 639 -2.167 13.516 -9.127 125 H TRP 640 HN TRP 640 -3.705 11.966 -3.002 126 HA TRP 640 HA TRP 640 -1.261 13.465 -3.633 127 HB2 TRP 640 HB2 TRP 640 -3.618 14.268 -1.909 128 HB3 TRP 640 HB1 TRP 640 -2.226 15.278 -2.281 129 HD1 TRP 640 HD1 TRP 640 -5.374 13.813 -3.902 130 HE1 TRP 640 HE1 TRP 640 -5.882 15.115 -6.057 131 HE3 TRP 640 HE3 TRP 640 -1.169 16.728 -4.107 132 HZ2 TRP 640 HZ2 TRP 640 -4.672 17.110 -7.634 133 HZ3 TRP 640 HZ3 TRP 640 -0.931 18.307 -5.982 134 HH2 TRP 640 HH2 TRP 640 -2.645 18.490 -7.704 135 H TYR 641 HN TYR 641 -1.865 10.894 -1.988 136 HA TYR 641 HA TYR 641 -1.335 11.430 0.719 137 HB2 TYR 641 HB2 TYR 641 -2.256 9.269 -0.264 138 HB3 TYR 641 HB1 TYR 641 -0.599 8.871 -0.703 139 HD1 TYR 641 HD1 TYR 641 1.014 8.237 0.975 140 HD2 TYR 641 HD2 TYR 641 -2.951 9.298 2.080 141 HE1 TYR 641 HE1 TYR 641 1.389 7.281 3.209 142 HE2 TYR 641 HE2 TYR 641 -2.586 8.350 4.318 143 HH TYR 641 HH TYR 641 -1.153 6.704 5.398 144 H ASN 642 HN ASN 642 0.350 12.835 0.889 145 HA ASN 642 HA ASN 642 3.000 11.611 0.555 146 HB2 ASN 642 HB2 ASN 642 2.188 14.496 0.165 147 HB3 ASN 642 HB1 ASN 642 3.857 14.015 0.431 148 HD21 ASN 642 HD21 ASN 642 3.726 11.568 -1.032 149 HD22 ASN 642 HD22 ASN 642 3.590 11.979 -2.712 150 H THR 643 HN THR 643 2.984 10.756 2.575 151 HA THR 643 HA THR 643 2.559 12.630 4.824 152 HB THR 643 HB THR 643 1.865 9.714 4.982 153 HG1 THR 643 HG1 THR 643 0.878 10.730 3.077 154 HG21 THR 643 HG21 THR 643 0.208 10.482 6.571 155 HG22 THR 643 HG22 THR 643 0.605 12.160 6.216 156 HG23 THR 643 HG23 THR 643 1.789 11.126 7.012 157 H ALA 644 HN ALA 644 5.043 11.544 3.431 158 HA ALA 644 HA ALA 644 6.213 9.551 5.053 159 HB1 ALA 644 HB1 ALA 644 8.265 10.004 3.884 160 HB2 ALA 644 HB2 ALA 644 7.644 11.554 3.320 161 HB3 ALA 644 HB3 ALA 644 6.924 10.056 2.741 162 H LEU 645 HN LEU 645 6.426 13.083 5.113 163 HA LEU 645 HA LEU 645 8.389 13.077 7.221 164 HB2 LEU 645 HB2 LEU 645 6.795 15.269 5.909 165 HB3 LEU 645 HB1 LEU 645 7.834 15.574 7.282 166 HG LEU 645 HG LEU 645 9.743 14.654 5.891 167 HD11 LEU 645 HD11 LEU 645 9.443 14.716 3.457 168 HD12 LEU 645 HD12 LEU 645 7.712 14.963 3.687 169 HD13 LEU 645 HD13 LEU 645 8.467 13.460 4.216 170 HD21 LEU 645 HD21 LEU 645 10.022 16.751 4.667 171 HD22 LEU 645 HD22 LEU 645 9.436 17.026 6.307 172 HD23 LEU 645 HD23 LEU 645 8.323 17.135 4.943 173 H GLU 646 HN GLU 646 4.954 13.858 6.927 174 HA GLU 646 HA GLU 646 4.770 13.972 9.854 175 HB2 GLU 646 HB2 GLU 646 4.034 15.965 8.569 176 HB3 GLU 646 HB1 GLU 646 2.837 14.972 7.756 177 HG2 GLU 646 HG2 GLU 646 1.765 14.536 9.932 178 HG3 GLU 646 HG1 GLU 646 2.934 15.617 10.692 179 H MET 647 HN MET 647 4.885 11.593 9.806 180 HA MET 647 HA MET 647 2.873 10.032 8.535 181 HB2 MET 647 HB2 MET 647 5.189 9.266 9.288 182 HB3 MET 647 HB1 MET 647 4.537 9.207 10.918 183 HG2 MET 647 HG2 MET 647 3.396 7.657 8.607 184 HG3 MET 647 HG1 MET 647 4.616 7.022 9.706 185 HE1 MET 647 HE1 MET 647 1.771 5.617 9.104 186 HE2 MET 647 HE2 MET 647 1.366 5.081 10.734 187 HE3 MET 647 HE3 MET 647 3.023 4.944 10.147 188 H THR 648 HN THR 648 0.826 10.526 9.073 189 HA THR 648 HA THR 648 0.071 11.109 11.788 190 HB THR 648 HB THR 648 -2.251 11.248 10.775 191 HG1 THR 648 HG1 THR 648 -1.873 9.939 8.947 192 HG21 THR 648 HG21 THR 648 -1.791 13.369 9.623 193 HG22 THR 648 HG22 THR 648 -0.074 12.967 9.578 194 HG23 THR 648 HG23 THR 648 -0.878 13.234 11.126 195 H ASP 649 HN ASP 649 0.585 9.103 12.789 196 HA ASP 649 HA ASP 649 -0.947 6.755 12.065 197 HB2 ASP 649 HB2 ASP 649 1.313 6.482 13.024 198 HB3 ASP 649 HB1 ASP 649 0.777 7.266 14.507 199 H CYS 650 HN CYS 650 -2.984 7.935 12.193 200 HA CYS 650 HA CYS 650 -4.082 7.771 14.898 201 HB2 CYS 650 HB2 CYS 650 -4.529 10.144 13.070 202 HB3 CYS 650 HB1 CYS 650 -5.217 9.918 14.675 203 HG CYS 650 HG CYS 650 -2.075 9.637 15.174 204 H ASP 651 HN ASP 651 -4.490 5.803 13.174 205 HA ASP 651 HA ASP 651 -7.137 6.332 12.006 206 HB2 ASP 651 HB2 ASP 651 -5.443 5.534 10.386 207 HB3 ASP 651 HB1 ASP 651 -5.225 4.076 11.351 208 H GLU 652 HN GLU 652 -8.858 5.343 12.821 209 HA GLU 652 HA GLU 652 -8.444 3.066 14.643 210 HB2 GLU 652 HB2 GLU 652 -9.171 5.148 15.807 211 HB3 GLU 652 HB1 GLU 652 -10.610 5.178 14.802 212 HG2 GLU 652 HG2 GLU 652 -11.241 2.966 15.754 213 HG3 GLU 652 HG1 GLU 652 -9.869 3.106 16.854 214 H GLY 653 HN GLY 653 -9.566 4.030 11.720 215 HA2 GLY 653 HA2 GLY 653 -12.077 2.618 11.671 216 HA3 GLY 653 HA1 GLY 653 -11.292 3.411 10.314 217 H GLY 654 HN GLY 654 -9.033 2.219 9.831 218 HA2 GLY 654 HA2 GLY 654 -8.066 0.254 9.066 219 HA3 GLY 654 HA1 GLY 654 -9.294 -0.652 9.936 220 H GLU 655 HN GLU 655 -11.577 0.357 8.872 221 HA GLU 655 HA GLU 655 -13.067 0.027 7.217 222 HB2 GLU 655 HB2 GLU 655 -11.709 1.885 6.213 223 HB3 GLU 655 HB1 GLU 655 -10.780 0.672 5.346 224 HG2 GLU 655 HG2 GLU 655 -12.599 0.067 4.008 225 HG3 GLU 655 HG1 GLU 655 -13.760 0.860 5.074 226 H TYR 656 HN TYR 656 -12.941 -2.184 7.966 227 HA TYR 656 HA TYR 656 -11.540 -4.047 6.224 228 HB2 TYR 656 HB2 TYR 656 -13.214 -4.594 8.686 229 HB3 TYR 656 HB1 TYR 656 -12.181 -5.746 7.849 230 HD1 TYR 656 HD1 TYR 656 -12.243 -2.837 10.077 231 HD2 TYR 656 HD2 TYR 656 -9.756 -5.683 8.118 232 HE1 TYR 656 HE1 TYR 656 -10.367 -2.187 11.525 233 HE2 TYR 656 HE2 TYR 656 -7.875 -5.034 9.559 234 HH TYR 656 HH TYR 656 -8.282 -3.100 12.346 235 H ASP 657 HN ASP 657 -12.700 -3.831 4.343 236 HA ASP 657 HA ASP 657 -15.465 -3.695 4.099 237 HB2 ASP 657 HB2 ASP 657 -15.013 -3.469 1.909 238 HB3 ASP 657 HB1 ASP 657 -13.321 -3.575 2.373 239 H GLY 658 HN GLY 658 -13.459 -6.446 4.666 240 HA2 GLY 658 HA2 GLY 658 -14.748 -8.270 5.757 241 HA3 GLY 658 HA1 GLY 658 -15.852 -8.147 4.397 242 H MET 659 HN MET 659 -13.612 -7.758 2.495 243 HA MET 659 HA MET 659 -13.184 -10.575 2.051 244 HB2 MET 659 HB2 MET 659 -13.736 -8.759 0.282 245 HB3 MET 659 HB1 MET 659 -12.019 -8.398 0.345 246 HG2 MET 659 HG2 MET 659 -13.183 -11.100 -0.318 247 HG3 MET 659 HG1 MET 659 -12.651 -9.911 -1.503 248 HE1 MET 659 HE1 MET 659 -10.191 -9.307 -2.015 249 HE2 MET 659 HE2 MET 659 -8.812 -9.829 -1.048 250 HE3 MET 659 HE3 MET 659 -9.999 -8.719 -0.363 251 H GLN 660 HN GLN 660 -11.860 -10.957 3.889 252 HA GLN 660 HA GLN 660 -9.045 -10.434 3.222 253 HB2 GLN 660 HB2 GLN 660 -10.417 -10.528 5.860 254 HB3 GLN 660 HB1 GLN 660 -8.816 -11.243 5.768 255 HG2 GLN 660 HG2 GLN 660 -8.224 -9.140 6.345 256 HG3 GLN 660 HG1 GLN 660 -8.260 -8.937 4.598 257 HE21 GLN 660 HE21 GLN 660 -8.575 -6.959 6.689 258 HE22 GLN 660 HE22 GLN 660 -10.128 -6.237 6.449 259 H ASP 661 HN ASP 661 -10.759 -12.433 2.116 260 HA ASP 661 HA ASP 661 -10.270 -14.942 3.389 261 HB2 ASP 661 HB2 ASP 661 -12.203 -14.604 1.879 262 HB3 ASP 661 HB1 ASP 661 -11.096 -14.386 0.526 263 H GLU 662 HN GLU 662 -9.238 -13.932 0.139 264 HA GLU 662 HA GLU 662 -6.526 -14.822 0.853 265 HB2 GLU 662 HB2 GLU 662 -7.625 -16.422 -0.700 266 HB3 GLU 662 HB1 GLU 662 -7.846 -15.115 -1.854 267 HG2 GLU 662 HG2 GLU 662 -5.381 -14.834 -1.929 268 HG3 GLU 662 HG1 GLU 662 -5.230 -16.253 -0.893 269 HA PRO 663 HA PRO 663 -6.260 -10.491 -0.584 270 HB2 PRO 663 HB2 PRO 663 -4.416 -9.954 1.522 271 HB3 PRO 663 HB1 PRO 663 -6.083 -9.402 1.379 272 HG2 PRO 663 HG2 PRO 663 -5.132 -11.202 3.284 273 HG3 PRO 663 HG1 PRO 663 -6.836 -10.950 2.852 274 HD2 PRO 663 HD2 PRO 663 -4.960 -13.116 2.019 275 HD3 PRO 663 HD1 PRO 663 -6.723 -13.176 2.275 276 H ARG 664 HN ARG 664 -4.930 -10.286 -2.293 277 HA ARG 664 HA ARG 664 -2.375 -11.586 -2.384 278 HB2 ARG 664 HB2 ARG 664 -2.112 -10.493 -4.571 279 HB3 ARG 664 HB1 ARG 664 -3.661 -11.309 -4.432 280 HG2 ARG 664 HG2 ARG 664 -4.728 -9.145 -3.955 281 HG3 ARG 664 HG1 ARG 664 -3.168 -8.351 -4.168 282 HD2 ARG 664 HD2 ARG 664 -3.076 -9.000 -6.464 283 HD3 ARG 664 HD1 ARG 664 -4.498 -10.026 -6.287 284 HE ARG 664 HE ARG 664 -5.528 -7.680 -5.629 285 HH11 ARG 664 HH11 ARG 664 -3.405 -8.519 -8.285 286 HH12 ARG 664 HH12 ARG 664 -3.995 -7.256 -9.319 287 HH21 ARG 664 HH21 ARG 664 -6.315 -6.035 -6.988 288 HH22 ARG 664 HH22 ARG 664 -5.645 -5.836 -8.577 289 H TYR 665 HN TYR 665 -3.519 -8.431 -1.512 290 HA TYR 665 HA TYR 665 -1.120 -7.017 -1.897 291 HB2 TYR 665 HB2 TYR 665 -2.177 -5.435 -0.123 292 HB3 TYR 665 HB1 TYR 665 -2.924 -5.594 -1.705 293 HD1 TYR 665 HD1 TYR 665 -4.920 -7.217 -1.892 294 HD2 TYR 665 HD2 TYR 665 -3.436 -5.734 1.804 295 HE1 TYR 665 HE1 TYR 665 -7.082 -7.707 -0.839 296 HE2 TYR 665 HE2 TYR 665 -5.601 -6.228 2.875 297 HH TYR 665 HH TYR 665 -7.964 -8.171 1.427 298 H MET 666 HN MET 666 -2.100 -9.202 0.569 299 HA MET 666 HA MET 666 -0.248 -8.284 2.545 300 HB2 MET 666 HB2 MET 666 -1.771 -10.870 2.231 301 HB3 MET 666 HB1 MET 666 -0.660 -10.570 3.569 302 HG2 MET 666 HG2 MET 666 -3.172 -9.041 2.920 303 HG3 MET 666 HG1 MET 666 -2.906 -10.122 4.286 304 HE1 MET 666 HE1 MET 666 -4.105 -7.283 4.716 305 HE2 MET 666 HE2 MET 666 -3.153 -6.671 6.067 306 HE3 MET 666 HE3 MET 666 -3.696 -8.349 6.057 307 H MET 667 HN MET 667 -0.200 -10.701 -0.023 308 HA MET 667 HA MET 667 2.359 -11.750 0.696 309 HB2 MET 667 HB2 MET 667 0.744 -13.056 -0.643 310 HB3 MET 667 HB1 MET 667 0.887 -11.887 -1.945 311 HG2 MET 667 HG2 MET 667 3.217 -12.476 -2.259 312 HG3 MET 667 HG1 MET 667 3.139 -13.590 -0.898 313 HE1 MET 667 HE1 MET 667 1.975 -12.845 -4.559 314 HE2 MET 667 HE2 MET 667 0.432 -12.976 -3.718 315 HE3 MET 667 HE3 MET 667 0.903 -14.204 -4.891 316 H LEU 668 HN LEU 668 1.162 -9.410 -1.664 317 HA LEU 668 HA LEU 668 3.640 -8.745 -2.815 318 HB2 LEU 668 HB2 LEU 668 1.003 -7.352 -2.596 319 HB3 LEU 668 HB1 LEU 668 2.391 -6.438 -3.147 320 HG LEU 668 HG LEU 668 2.690 -8.014 -5.017 321 HD11 LEU 668 HD11 LEU 668 0.950 -9.644 -5.544 322 HD12 LEU 668 HD12 LEU 668 0.148 -9.283 -4.015 323 HD13 LEU 668 HD13 LEU 668 1.750 -10.022 -4.018 324 HD21 LEU 668 HD21 LEU 668 0.692 -7.354 -6.286 325 HD22 LEU 668 HD22 LEU 668 1.382 -6.014 -5.371 326 HD23 LEU 668 HD23 LEU 668 -0.070 -6.828 -4.785 327 H ALA 669 HN ALA 669 2.017 -7.555 0.117 328 HA ALA 669 HA ALA 669 3.951 -5.465 0.521 329 HB1 ALA 669 HB1 ALA 669 1.666 -5.204 1.333 330 HB2 ALA 669 HB2 ALA 669 2.824 -5.125 2.661 331 HB3 ALA 669 HB3 ALA 669 1.879 -6.592 2.400 332 H ARG 670 HN ARG 670 3.430 -8.762 1.621 333 HA ARG 670 HA ARG 670 5.390 -8.866 3.623 334 HB2 ARG 670 HB2 ARG 670 3.686 -10.624 3.196 335 HB3 ARG 670 HB1 ARG 670 4.542 -11.058 1.725 336 HG2 ARG 670 HG2 ARG 670 6.508 -11.659 3.066 337 HG3 ARG 670 HG1 ARG 670 5.602 -11.274 4.532 338 HD2 ARG 670 HD2 ARG 670 3.927 -12.974 3.891 339 HD3 ARG 670 HD1 ARG 670 4.926 -13.397 2.503 340 HE ARG 670 HE ARG 670 6.499 -13.592 4.809 341 HH11 ARG 670 HH11 ARG 670 3.759 -15.167 3.308 342 HH12 ARG 670 HH12 ARG 670 4.066 -16.706 4.047 343 HH21 ARG 670 HH21 ARG 670 6.927 -15.628 5.773 344 HH22 ARG 670 HH22 ARG 670 5.867 -16.965 5.457 345 H GLU 671 HN GLU 671 5.560 -9.536 0.127 346 HA GLU 671 HA GLU 671 8.328 -10.131 0.119 347 HB2 GLU 671 HB2 GLU 671 6.790 -10.780 -1.711 348 HB3 GLU 671 HB1 GLU 671 6.606 -9.084 -2.141 349 HG2 GLU 671 HG2 GLU 671 8.905 -8.925 -2.761 350 HG3 GLU 671 HG1 GLU 671 9.232 -10.547 -2.157 351 H ALA 672 HN ALA 672 6.466 -7.183 -0.523 352 HA ALA 672 HA ALA 672 8.529 -5.424 -1.049 353 HB1 ALA 672 HB1 ALA 672 7.053 -3.668 -0.370 354 HB2 ALA 672 HB2 ALA 672 6.085 -4.785 0.586 355 HB3 ALA 672 HB3 ALA 672 6.100 -4.915 -1.171 356 H GLU 673 HN GLU 673 7.301 -6.502 2.101 357 HA GLU 673 HA GLU 673 8.951 -4.821 3.660 358 HB2 GLU 673 HB2 GLU 673 6.944 -5.928 4.560 359 HB3 GLU 673 HB1 GLU 673 7.727 -7.492 4.379 360 HG2 GLU 673 HG2 GLU 673 9.456 -6.792 5.976 361 HG3 GLU 673 HG1 GLU 673 8.618 -5.255 6.185 362 H MET 674 HN MET 674 9.332 -8.110 2.419 363 HA MET 674 HA MET 674 11.815 -8.594 3.727 364 HB2 MET 674 HB2 MET 674 10.614 -9.888 1.270 365 HB3 MET 674 HB1 MET 674 12.070 -10.454 2.076 366 HG2 MET 674 HG2 MET 674 10.689 -10.730 4.153 367 HG3 MET 674 HG1 MET 674 9.268 -10.406 3.162 368 HE1 MET 674 HE1 MET 674 8.483 -12.023 1.130 369 HE2 MET 674 HE2 MET 674 9.419 -13.427 0.620 370 HE3 MET 674 HE3 MET 674 10.082 -11.805 0.420 371 H LEU 675 HN LEU 675 10.907 -6.937 0.800 372 HA LEU 675 HA LEU 675 13.624 -6.823 -0.207 373 HB2 LEU 675 HB2 LEU 675 10.929 -5.966 -1.126 374 HB3 LEU 675 HB1 LEU 675 12.296 -5.048 -1.722 375 HG LEU 675 HG LEU 675 11.505 -6.857 -3.250 376 HD11 LEU 675 HD11 LEU 675 13.733 -5.989 -3.482 377 HD12 LEU 675 HD12 LEU 675 13.745 -7.732 -3.754 378 HD13 LEU 675 HD13 LEU 675 14.325 -7.076 -2.223 379 HD21 LEU 675 HD21 LEU 675 12.055 -9.166 -2.752 380 HD22 LEU 675 HD22 LEU 675 10.933 -8.525 -1.553 381 HD23 LEU 675 HD23 LEU 675 12.641 -8.702 -1.157 382 H PHE 676 HN PHE 676 11.500 -4.977 1.787 383 HA PHE 676 HA PHE 676 12.893 -2.489 1.529 384 HB2 PHE 676 HB2 PHE 676 10.538 -2.539 2.193 385 HB3 PHE 676 HB1 PHE 676 10.946 -3.459 3.641 386 HD1 PHE 676 HD1 PHE 676 10.554 -2.148 5.491 387 HD2 PHE 676 HD2 PHE 676 12.442 -0.402 2.097 388 HE1 PHE 676 HE1 PHE 676 10.854 -0.050 6.738 389 HE2 PHE 676 HE2 PHE 676 12.744 1.696 3.343 390 HZ PHE 676 HZ PHE 676 11.918 1.883 5.656 391 H THR 677 HN THR 677 12.658 -4.849 4.192 392 HA THR 677 HA THR 677 14.823 -3.557 5.575 393 HB THR 677 HB THR 677 14.494 -5.483 7.209 394 HG1 THR 677 HG1 THR 677 12.131 -5.935 5.673 395 HG21 THR 677 HG21 THR 677 12.414 -4.560 8.097 396 HG22 THR 677 HG22 THR 677 12.090 -3.779 6.552 397 HG23 THR 677 HG23 THR 677 13.470 -3.270 7.524 398 H GLY 678 HN GLY 678 14.366 -6.412 3.609 399 HA2 GLY 678 HA2 GLY 678 16.055 -7.573 2.472 400 HA3 GLY 678 HA1 GLY 678 17.250 -6.799 3.508 401 H GLY 679 HN GLY 679 17.368 -9.525 2.961 402 HA2 GLY 679 HA2 GLY 679 17.604 -10.513 5.601 403 HA3 GLY 679 HA1 GLY 679 16.167 -11.182 4.843 404 H TYR 680 HN TYR 680 17.797 -13.045 5.502 405 HA TYR 680 HA TYR 680 19.792 -13.624 3.525 406 HB2 TYR 680 HB2 TYR 680 18.531 -15.397 5.633 407 HB3 TYR 680 HB1 TYR 680 19.936 -15.825 4.657 408 HD1 TYR 680 HD1 TYR 680 21.946 -14.144 4.802 409 HD2 TYR 680 HD2 TYR 680 18.859 -14.437 7.710 410 HE1 TYR 680 HE1 TYR 680 23.423 -13.093 6.462 411 HE2 TYR 680 HE2 TYR 680 20.326 -13.386 9.380 412 HH TYR 680 HH TYR 680 22.739 -13.087 9.781 413 H GLY 681 HN GLY 681 18.572 -13.408 1.620 414 HA2 GLY 681 HA2 GLY 681 17.827 -15.475 0.164 415 HA3 GLY 681 HA1 GLY 681 16.381 -15.284 1.157 416 H LEU 682 HN LEU 682 16.340 -12.510 1.366 417 HA LEU 682 HA LEU 682 15.841 -11.707 -1.420 418 HB2 LEU 682 HB2 LEU 682 14.485 -10.880 1.142 419 HB3 LEU 682 HB1 LEU 682 14.317 -9.967 -0.340 420 HG LEU 682 HG LEU 682 12.376 -11.310 -0.113 421 HD11 LEU 682 HD11 LEU 682 13.327 -11.172 -2.376 422 HD12 LEU 682 HD12 LEU 682 12.395 -12.645 -2.111 423 HD13 LEU 682 HD13 LEU 682 14.157 -12.705 -2.100 424 HD21 LEU 682 HD21 LEU 682 13.235 -12.929 1.497 425 HD22 LEU 682 HD22 LEU 682 14.169 -13.707 0.217 426 HD23 LEU 682 HD23 LEU 682 12.406 -13.721 0.157 427 H GLU 683 HN GLU 683 17.210 -10.249 -2.190 428 HA GLU 683 HA GLU 683 18.911 -8.734 -0.411 429 HB2 GLU 683 HB2 GLU 683 19.737 -9.666 -2.576 430 HB3 GLU 683 HB1 GLU 683 18.667 -8.558 -3.422 431 HG2 GLU 683 HG2 GLU 683 20.974 -7.748 -3.345 432 HG3 GLU 683 HG1 GLU 683 19.858 -6.660 -2.520 433 H LYS 684 HN LYS 684 18.377 -6.835 0.413 434 HA LYS 684 HA LYS 684 15.880 -5.667 -0.104 435 HB2 LYS 684 HB2 LYS 684 16.526 -3.906 1.418 436 HB3 LYS 684 HB1 LYS 684 17.014 -5.464 2.056 437 HG2 LYS 684 HG2 LYS 684 19.324 -5.007 1.242 438 HG3 LYS 684 HG1 LYS 684 18.788 -3.386 0.786 439 HD2 LYS 684 HD2 LYS 684 18.732 -4.576 3.560 440 HD3 LYS 684 HD1 LYS 684 19.865 -3.357 2.973 441 HE2 LYS 684 HE2 LYS 684 18.053 -1.774 2.669 442 HE3 LYS 684 HE1 LYS 684 16.871 -3.000 3.124 443 HZ1 LYS 684 HZ1 LYS 684 17.994 -3.104 5.315 444 HZ2 LYS 684 HZ2 LYS 684 17.246 -1.621 4.992 445 HZ3 LYS 684 HZ3 LYS 684 18.931 -1.769 4.861 446 H ASP 685 HN ASP 685 15.202 -4.026 -1.273 447 HA ASP 685 HA ASP 685 17.054 -2.352 -2.763 448 HB2 ASP 685 HB2 ASP 685 16.750 -4.345 -4.212 449 HB3 ASP 685 HB1 ASP 685 15.005 -4.096 -4.165 450 HA PRO 686 HA PRO 686 13.691 0.165 -1.018 451 HB2 PRO 686 HB2 PRO 686 15.302 2.212 -2.485 452 HB3 PRO 686 HB1 PRO 686 14.636 2.264 -0.846 453 HG2 PRO 686 HG2 PRO 686 17.220 1.799 -1.221 454 HG3 PRO 686 HG1 PRO 686 16.314 0.907 0.020 455 HD2 PRO 686 HD2 PRO 686 17.249 -0.012 -2.675 456 HD3 PRO 686 HD1 PRO 686 17.142 -0.916 -1.144 457 H GLN 687 HN GLN 687 14.817 0.248 -4.376 458 HA GLN 687 HA GLN 687 12.617 1.776 -5.341 459 HB2 GLN 687 HB2 GLN 687 14.729 1.647 -6.581 460 HB3 GLN 687 HB1 GLN 687 14.483 -0.075 -6.835 461 HG2 GLN 687 HG2 GLN 687 13.932 1.240 -8.816 462 HG3 GLN 687 HG1 GLN 687 12.533 0.366 -8.191 463 HE21 GLN 687 HE21 GLN 687 11.037 1.725 -9.123 464 HE22 GLN 687 HE22 GLN 687 10.779 3.351 -8.593 465 H ARG 688 HN ARG 688 13.379 -1.727 -5.514 466 HA ARG 688 HA ARG 688 10.874 -2.399 -6.678 467 HB2 ARG 688 HB2 ARG 688 12.952 -3.833 -6.754 468 HB3 ARG 688 HB1 ARG 688 12.681 -4.202 -5.054 469 HG2 ARG 688 HG2 ARG 688 10.429 -5.084 -5.700 470 HG3 ARG 688 HG1 ARG 688 10.917 -4.907 -7.384 471 HD2 ARG 688 HD2 ARG 688 12.291 -6.597 -5.303 472 HD3 ARG 688 HD1 ARG 688 11.242 -7.190 -6.586 473 HE ARG 688 HE ARG 688 13.311 -5.730 -7.767 474 HH11 ARG 688 HH11 ARG 688 12.843 -8.686 -5.958 475 HH12 ARG 688 HH12 ARG 688 14.213 -9.486 -6.661 476 HH21 ARG 688 HH21 ARG 688 15.119 -6.787 -8.709 477 HH22 ARG 688 HH22 ARG 688 15.504 -8.409 -8.229 478 H SER 689 HN SER 689 12.125 -2.179 -3.403 479 HA SER 689 HA SER 689 10.053 -3.253 -1.944 480 HB2 SER 689 HB2 SER 689 12.152 -2.397 -0.959 481 HB3 SER 689 HB1 SER 689 11.615 -0.747 -1.288 482 HG SER 689 HG SER 689 10.326 -2.631 0.403 483 H GLY 690 HN GLY 690 10.342 0.204 -3.012 484 HA2 GLY 690 HA2 GLY 690 7.786 0.882 -2.040 485 HA3 GLY 690 HA1 GLY 690 8.754 1.802 -3.193 486 H ASP 691 HN ASP 691 8.946 -0.387 -5.112 487 HA ASP 691 HA ASP 691 6.588 0.139 -6.604 488 HB2 ASP 691 HB2 ASP 691 8.760 -0.522 -7.635 489 HB3 ASP 691 HB1 ASP 691 8.545 -2.147 -6.982 490 H LEU 692 HN LEU 692 7.636 -2.642 -4.659 491 HA LEU 692 HA LEU 692 5.312 -4.189 -5.186 492 HB2 LEU 692 HB2 LEU 692 7.432 -4.346 -3.054 493 HB3 LEU 692 HB1 LEU 692 6.111 -5.491 -3.171 494 HG LEU 692 HG LEU 692 7.973 -5.039 -5.484 495 HD11 LEU 692 HD11 LEU 692 9.264 -6.968 -4.688 496 HD12 LEU 692 HD12 LEU 692 8.319 -6.981 -3.201 497 HD13 LEU 692 HD13 LEU 692 9.368 -5.612 -3.566 498 HD21 LEU 692 HD21 LEU 692 6.252 -7.356 -4.611 499 HD22 LEU 692 HD22 LEU 692 7.250 -7.299 -6.064 500 HD23 LEU 692 HD23 LEU 692 5.869 -6.215 -5.899 501 H TYR 693 HN TYR 693 6.253 -1.927 -2.621 502 HA TYR 693 HA TYR 693 3.976 -2.391 -1.002 503 HB2 TYR 693 HB2 TYR 693 6.063 -0.275 -1.127 504 HB3 TYR 693 HB1 TYR 693 4.555 0.133 -0.313 505 HD1 TYR 693 HD1 TYR 693 3.724 -1.872 1.313 506 HD2 TYR 693 HD2 TYR 693 7.760 -1.043 0.258 507 HE1 TYR 693 HE1 TYR 693 4.484 -2.989 3.366 508 HE2 TYR 693 HE2 TYR 693 8.531 -2.162 2.303 509 HH TYR 693 HH TYR 693 6.396 -3.997 4.320 510 H THR 694 HN THR 694 4.570 -0.167 -3.692 511 HA THR 694 HA THR 694 2.070 1.187 -3.347 512 HB THR 694 HB THR 694 2.514 2.041 -5.707 513 HG1 THR 694 HG1 THR 694 5.115 0.977 -5.314 514 HG21 THR 694 HG21 THR 694 3.121 3.273 -3.649 515 HG22 THR 694 HG22 THR 694 4.237 3.573 -4.977 516 HG23 THR 694 HG23 THR 694 4.698 2.483 -3.669 517 H GLN 695 HN GLN 695 3.201 -1.548 -5.279 518 HA GLN 695 HA GLN 695 0.741 -1.883 -6.675 519 HB2 GLN 695 HB2 GLN 695 3.074 -3.700 -6.135 520 HB3 GLN 695 HB1 GLN 695 1.619 -4.306 -6.915 521 HG2 GLN 695 HG2 GLN 695 3.392 -2.083 -7.915 522 HG3 GLN 695 HG1 GLN 695 3.284 -3.719 -8.565 523 HE21 GLN 695 HE21 GLN 695 0.360 -3.806 -8.214 524 HE22 GLN 695 HE22 GLN 695 -0.294 -2.818 -9.474 525 H ALA 696 HN ALA 696 2.064 -3.199 -3.659 526 HA ALA 696 HA ALA 696 -0.095 -4.821 -2.980 527 HB1 ALA 696 HB1 ALA 696 1.678 -3.268 -1.099 528 HB2 ALA 696 HB2 ALA 696 2.060 -4.843 -1.793 529 HB3 ALA 696 HB3 ALA 696 0.693 -4.673 -0.693 530 H ALA 697 HN ALA 697 0.452 -1.326 -2.437 531 HA ALA 697 HA ALA 697 -1.905 -0.961 -0.908 532 HB1 ALA 697 HB1 ALA 697 -1.469 1.361 -1.107 533 HB2 ALA 697 HB2 ALA 697 -0.485 1.120 -2.548 534 HB3 ALA 697 HB3 ALA 697 0.101 0.569 -0.981 535 H GLU 698 HN GLU 698 -1.110 -0.821 -4.319 536 HA GLU 698 HA GLU 698 -3.525 0.188 -5.296 537 HB2 GLU 698 HB2 GLU 698 -1.500 -0.110 -6.662 538 HB3 GLU 698 HB1 GLU 698 -1.662 -1.853 -6.530 539 HG2 GLU 698 HG2 GLU 698 -3.837 -1.681 -7.712 540 HG3 GLU 698 HG1 GLU 698 -3.519 0.039 -7.949 541 H ALA 699 HN ALA 699 -2.483 -3.165 -4.724 542 HA ALA 699 HA ALA 699 -4.966 -4.353 -5.380 543 HB1 ALA 699 HB1 ALA 699 -2.932 -5.646 -5.393 544 HB2 ALA 699 HB2 ALA 699 -4.052 -6.339 -4.219 545 HB3 ALA 699 HB3 ALA 699 -2.695 -5.355 -3.672 546 H ALA 700 HN ALA 700 -3.737 -2.840 -2.528 547 HA ALA 700 HA ALA 700 -5.675 -3.910 -0.708 548 HB1 ALA 700 HB1 ALA 700 -4.043 -1.395 -0.424 549 HB2 ALA 700 HB2 ALA 700 -3.504 -3.009 0.036 550 HB3 ALA 700 HB3 ALA 700 -4.872 -2.268 0.864 551 H MET 701 HN MET 701 -5.326 -0.772 -2.365 552 HA MET 701 HA MET 701 -7.802 0.257 -1.455 553 HB2 MET 701 HB2 MET 701 -7.474 2.047 -3.015 554 HB3 MET 701 HB1 MET 701 -5.904 1.635 -2.341 555 HG2 MET 701 HG2 MET 701 -5.365 0.380 -4.361 556 HG3 MET 701 HG1 MET 701 -6.937 0.790 -5.038 557 HE1 MET 701 HE1 MET 701 -4.607 2.962 -7.258 558 HE2 MET 701 HE2 MET 701 -5.937 1.805 -7.227 559 HE3 MET 701 HE3 MET 701 -4.334 1.321 -6.679 560 H GLU 702 HN GLU 702 -6.865 -1.711 -4.193 561 HA GLU 702 HA GLU 702 -9.316 -1.535 -5.609 562 HB2 GLU 702 HB2 GLU 702 -7.125 -2.359 -6.519 563 HB3 GLU 702 HB1 GLU 702 -7.349 -3.826 -5.581 564 HG2 GLU 702 HG2 GLU 702 -7.968 -4.094 -7.938 565 HG3 GLU 702 HG1 GLU 702 -9.318 -4.389 -6.843 566 H ALA 703 HN ALA 703 -8.221 -3.372 -2.885 567 HA ALA 703 HA ALA 703 -10.625 -5.032 -2.870 568 HB1 ALA 703 HB1 ALA 703 -9.583 -6.225 -1.023 569 HB2 ALA 703 HB2 ALA 703 -8.259 -5.060 -1.002 570 HB3 ALA 703 HB3 ALA 703 -8.485 -6.114 -2.398 571 H MET 704 HN MET 704 -10.336 -2.025 -2.229 572 HA MET 704 HA MET 704 -11.415 -0.510 -0.942 573 HB2 MET 704 HB2 MET 704 -13.072 -2.910 -0.135 574 HB3 MET 704 HB1 MET 704 -13.499 -1.234 0.184 575 HG2 MET 704 HG2 MET 704 -13.196 -2.504 -2.529 576 HG3 MET 704 HG1 MET 704 -14.711 -2.102 -1.729 577 HE1 MET 704 HE1 MET 704 -13.950 -1.178 -4.696 578 HE2 MET 704 HE2 MET 704 -14.532 0.486 -4.667 579 HE3 MET 704 HE3 MET 704 -15.482 -0.793 -3.909 580 H LYS 705 HN LYS 705 -9.064 -1.510 0.122 581 HA LYS 705 HA LYS 705 -9.640 -1.594 3.013 582 HB2 LYS 705 HB2 LYS 705 -7.165 -2.555 1.563 583 HB3 LYS 705 HB1 LYS 705 -7.458 -2.665 3.291 584 HG2 LYS 705 HG2 LYS 705 -9.028 -4.075 1.150 585 HG3 LYS 705 HG1 LYS 705 -7.795 -4.800 2.180 586 HD2 LYS 705 HD2 LYS 705 -9.210 -4.124 4.153 587 HD3 LYS 705 HD1 LYS 705 -10.479 -3.706 2.998 588 HE2 LYS 705 HE2 LYS 705 -9.218 -6.411 3.411 589 HE3 LYS 705 HE1 LYS 705 -10.860 -5.934 3.833 590 HZ1 LYS 705 HZ1 LYS 705 -11.474 -5.811 1.593 591 HZ2 LYS 705 HZ2 LYS 705 -10.559 -7.235 1.712 592 HZ3 LYS 705 HZ3 LYS 705 -9.869 -5.838 1.053 593 H GLY 706 HN GLY 706 -9.793 0.699 3.097 594 HA2 GLY 706 HA2 GLY 706 -8.011 2.551 2.092 595 HA3 GLY 706 HA1 GLY 706 -8.975 2.785 3.538 596 H ARG 707 HN ARG 707 -7.943 1.301 5.450 597 HA ARG 707 HA ARG 707 -5.656 2.713 6.217 598 HB2 ARG 707 HB2 ARG 707 -7.145 1.667 7.833 599 HB3 ARG 707 HB1 ARG 707 -6.689 0.072 7.259 600 HG2 ARG 707 HG2 ARG 707 -4.426 0.393 8.069 601 HG3 ARG 707 HG1 ARG 707 -4.823 2.038 8.572 602 HD2 ARG 707 HD2 ARG 707 -6.461 1.179 10.151 603 HD3 ARG 707 HD1 ARG 707 -6.128 -0.467 9.623 604 HE ARG 707 HE ARG 707 -3.810 -0.062 10.490 605 HH11 ARG 707 HH11 ARG 707 -6.519 1.786 11.720 606 HH12 ARG 707 HH12 ARG 707 -5.833 1.972 13.308 607 HH21 ARG 707 HH21 ARG 707 -2.899 0.189 12.576 608 HH22 ARG 707 HH22 ARG 707 -3.776 1.063 13.790 609 H LEU 708 HN LEU 708 -5.952 -0.487 4.757 610 HA LEU 708 HA LEU 708 -3.256 -1.253 5.032 611 HB2 LEU 708 HB2 LEU 708 -5.449 -2.077 3.152 612 HB3 LEU 708 HB1 LEU 708 -3.828 -2.704 2.961 613 HG LEU 708 HG LEU 708 -5.216 -4.295 4.152 614 HD11 LEU 708 HD11 LEU 708 -3.803 -4.708 6.042 615 HD12 LEU 708 HD12 LEU 708 -3.235 -3.039 6.035 616 HD13 LEU 708 HD13 LEU 708 -2.827 -4.117 4.700 617 HD21 LEU 708 HD21 LEU 708 -6.838 -2.789 5.152 618 HD22 LEU 708 HD22 LEU 708 -5.595 -2.119 6.206 619 HD23 LEU 708 HD23 LEU 708 -6.094 -3.799 6.391 620 H ALA 709 HN ALA 709 -5.001 0.169 2.296 621 HA ALA 709 HA ALA 709 -2.819 0.464 0.580 622 HB1 ALA 709 HB1 ALA 709 -5.129 0.675 -0.166 623 HB2 ALA 709 HB2 ALA 709 -4.175 2.085 -0.629 624 HB3 ALA 709 HB3 ALA 709 -5.285 2.183 0.738 625 H ASN 710 HN ASN 710 -4.183 2.764 2.929 626 HA ASN 710 HA ASN 710 -2.424 4.882 2.410 627 HB2 ASN 710 HB2 ASN 710 -3.922 4.093 4.910 628 HB3 ASN 710 HB1 ASN 710 -2.931 5.543 4.827 629 HD21 ASN 710 HD21 ASN 710 -5.839 5.252 5.226 630 HD22 ASN 710 HD22 ASN 710 -6.567 6.182 3.965 631 H GLN 711 HN GLN 711 -2.221 2.300 4.849 632 HA GLN 711 HA GLN 711 0.214 2.951 5.986 633 HB2 GLN 711 HB2 GLN 711 -1.287 1.257 6.882 634 HB3 GLN 711 HB1 GLN 711 -1.009 0.233 5.484 635 HG2 GLN 711 HG2 GLN 711 1.375 0.077 6.149 636 HG3 GLN 711 HG1 GLN 711 0.979 0.976 7.613 637 HE21 GLN 711 HE21 GLN 711 -1.200 -1.354 6.170 638 HE22 GLN 711 HE22 GLN 711 -1.068 -2.539 7.421 639 H TYR 712 HN TYR 712 -0.326 0.576 3.383 640 HA TYR 712 HA TYR 712 2.391 0.110 2.924 641 HB2 TYR 712 HB2 TYR 712 0.079 -0.257 1.020 642 HB3 TYR 712 HB1 TYR 712 1.708 -0.898 0.762 643 HD1 TYR 712 HD1 TYR 712 2.265 -1.691 3.652 644 HD2 TYR 712 HD2 TYR 712 -1.114 -2.294 1.148 645 HE1 TYR 712 HE1 TYR 712 1.666 -3.687 4.952 646 HE2 TYR 712 HE2 TYR 712 -1.722 -4.292 2.438 647 HH TYR 712 HH TYR 712 -0.659 -5.940 3.903 648 H TYR 713 HN TYR 713 0.287 2.624 1.542 649 HA TYR 713 HA TYR 713 2.261 3.540 -0.307 650 HB2 TYR 713 HB2 TYR 713 -0.325 4.560 0.697 651 HB3 TYR 713 HB1 TYR 713 0.829 5.804 0.225 652 HD1 TYR 713 HD1 TYR 713 1.952 5.432 -2.133 653 HD2 TYR 713 HD2 TYR 713 -1.710 3.650 -0.909 654 HE1 TYR 713 HE1 TYR 713 1.330 5.104 -4.490 655 HE2 TYR 713 HE2 TYR 713 -2.339 3.317 -3.265 656 HH TYR 713 HH TYR 713 -0.172 3.582 -5.807 657 H GLN 714 HN GLN 714 1.447 4.332 3.031 658 HA GLN 714 HA GLN 714 3.246 6.425 3.472 659 HB2 GLN 714 HB2 GLN 714 1.523 5.812 5.095 660 HB3 GLN 714 HB1 GLN 714 2.302 4.259 5.365 661 HG2 GLN 714 HG2 GLN 714 2.859 5.665 7.187 662 HG3 GLN 714 HG1 GLN 714 4.304 5.494 6.188 663 HE21 GLN 714 HE21 GLN 714 5.255 7.396 6.814 664 HE22 GLN 714 HE22 GLN 714 4.612 8.956 6.415 665 H LYS 715 HN LYS 715 3.709 2.961 3.315 666 HA LYS 715 HA LYS 715 6.343 3.172 4.531 667 HB2 LYS 715 HB2 LYS 715 4.936 1.253 5.166 668 HB3 LYS 715 HB1 LYS 715 4.855 0.754 3.480 669 HG2 LYS 715 HG2 LYS 715 6.447 -0.583 4.781 670 HG3 LYS 715 HG1 LYS 715 7.206 0.277 3.445 671 HD2 LYS 715 HD2 LYS 715 8.694 0.516 5.238 672 HD3 LYS 715 HD1 LYS 715 7.849 2.059 5.152 673 HE2 LYS 715 HE2 LYS 715 7.013 -0.161 7.009 674 HE3 LYS 715 HE1 LYS 715 8.200 1.056 7.470 675 HZ1 LYS 715 HZ1 LYS 715 6.495 2.766 7.033 676 HZ2 LYS 715 HZ2 LYS 715 6.051 1.687 8.261 677 HZ3 LYS 715 HZ3 LYS 715 5.366 1.536 6.728 678 H ALA 716 HN ALA 716 4.775 2.829 1.439 679 HA ALA 716 HA ALA 716 7.063 2.279 -0.120 680 HB1 ALA 716 HB1 ALA 716 5.769 3.172 -1.993 681 HB2 ALA 716 HB2 ALA 716 4.596 3.850 -0.867 682 HB3 ALA 716 HB3 ALA 716 4.777 2.102 -1.003 683 H GLU 717 HN GLU 717 5.564 5.290 1.017 684 HA GLU 717 HA GLU 717 7.369 7.034 -0.259 685 HB2 GLU 717 HB2 GLU 717 5.725 7.390 2.247 686 HB3 GLU 717 HB1 GLU 717 6.670 8.671 1.506 687 HG2 GLU 717 HG2 GLU 717 5.303 8.175 -0.609 688 HG3 GLU 717 HG1 GLU 717 4.209 7.325 0.483 689 H GLU 718 HN GLU 718 7.302 5.672 3.040 690 HA GLU 718 HA GLU 718 9.722 6.789 3.900 691 HB2 GLU 718 HB2 GLU 718 8.389 4.202 4.673 692 HB3 GLU 718 HB1 GLU 718 9.808 4.838 5.490 693 HG2 GLU 718 HG2 GLU 718 8.551 6.837 6.114 694 HG3 GLU 718 HG1 GLU 718 7.125 6.192 5.300 695 H ALA 719 HN ALA 719 9.093 3.822 2.075 696 HA ALA 719 HA ALA 719 11.665 2.748 2.117 697 HB1 ALA 719 HB1 ALA 719 9.653 2.612 -0.124 698 HB2 ALA 719 HB2 ALA 719 9.737 1.523 1.260 699 HB3 ALA 719 HB3 ALA 719 11.047 1.551 0.080 700 H TRP 720 HN TRP 720 10.206 4.893 -0.334 701 HA TRP 720 HA TRP 720 12.689 5.170 -1.735 702 HB2 TRP 720 HB2 TRP 720 10.080 6.678 -1.958 703 HB3 TRP 720 HB1 TRP 720 11.472 7.003 -2.985 704 HD1 TRP 720 HD1 TRP 720 12.284 3.885 -3.434 705 HE1 TRP 720 HE1 TRP 720 10.856 2.486 -5.052 706 HE3 TRP 720 HE3 TRP 720 8.007 6.702 -3.402 707 HZ2 TRP 720 HZ2 TRP 720 8.274 2.570 -6.177 708 HZ3 TRP 720 HZ3 TRP 720 6.110 5.972 -4.778 709 HH2 TRP 720 HH2 TRP 720 6.240 3.948 -6.141 710 H ALA 721 HN ALA 721 11.107 7.010 0.782 711 HA ALA 721 HA ALA 721 12.735 9.332 0.524 712 HB1 ALA 721 HB1 ALA 721 11.793 10.029 2.630 713 HB2 ALA 721 HB2 ALA 721 11.198 8.399 2.939 714 HB3 ALA 721 HB3 ALA 721 10.527 9.345 1.612 715 H GLN 722 HN GLN 722 12.955 6.410 2.502 716 HA GLN 722 HA GLN 722 15.206 7.508 3.978 717 HB2 GLN 722 HB2 GLN 722 13.751 4.871 4.143 718 HB3 GLN 722 HB1 GLN 722 15.154 5.260 5.130 719 HG2 GLN 722 HG2 GLN 722 13.992 7.031 6.218 720 HG3 GLN 722 HG1 GLN 722 12.636 6.905 5.100 721 HE21 GLN 722 HE21 GLN 722 12.597 4.004 5.124 722 HE22 GLN 722 HE22 GLN 722 11.944 3.536 6.656 723 H MET 723 HN MET 723 14.674 4.575 1.979 724 HA MET 723 HA MET 723 16.173 3.190 0.934 725 HB2 MET 723 HB2 MET 723 17.511 5.850 0.391 726 HB3 MET 723 HB1 MET 723 17.891 4.352 -0.442 727 HG2 MET 723 HG2 MET 723 15.674 4.270 -1.389 728 HG3 MET 723 HG1 MET 723 15.202 5.702 -0.475 729 HE1 MET 723 HE1 MET 723 16.049 8.114 -0.940 730 HE2 MET 723 HE2 MET 723 17.277 8.531 -2.135 731 HE3 MET 723 HE3 MET 723 17.719 7.601 -0.703 732 H GLU 724 HN GLU 724 16.636 3.528 3.738 733 HA GLU 724 HA GLU 724 19.304 2.536 3.943 734 HB2 GLU 724 HB2 GLU 724 20.182 4.283 5.425 735 HB3 GLU 724 HB1 GLU 724 19.815 4.924 3.832 736 HG2 GLU 724 HG2 GLU 724 17.737 5.873 4.684 737 HG3 GLU 724 HG1 GLU 724 18.092 5.216 6.281 738 H GLU 725 HN GLU 725 16.696 1.640 4.574 739 HA GLU 725 HA GLU 725 16.820 1.513 7.510 740 HB2 GLU 725 HB2 GLU 725 14.859 2.796 6.684 741 HB3 GLU 725 HB1 GLU 725 14.343 1.383 5.776 742 HG2 GLU 725 HG2 GLU 725 13.085 1.633 7.843 743 HG3 GLU 725 HG1 GLU 725 14.021 0.141 7.830 Start of MODEL 17 1 H1 GLY 623 HT1 GLY 623 -23.769 1.385 -11.288 2 H2 GLY 623 HT2 GLY 623 -22.251 0.745 -11.655 3 H3 GLY 623 HT3 GLY 623 -22.723 2.229 -12.311 4 HA2 GLY 623 HA1 GLY 623 -21.158 2.536 -10.494 5 HA3 GLY 623 HA2 GLY 623 -22.724 3.251 -10.151 6 H SER 624 HN SER 624 -21.282 2.890 -8.030 7 HA SER 624 HA SER 624 -21.308 2.043 -5.938 8 HB2 SER 624 HB2 SER 624 -23.796 0.595 -6.870 9 HB3 SER 624 HB1 SER 624 -23.305 0.838 -5.193 10 HG SER 624 HG SER 624 -24.704 2.466 -5.614 11 H HIS 625 HN HIS 625 -19.825 0.661 -8.035 12 HA HIS 625 HA HIS 625 -19.805 -2.060 -6.896 13 HB2 HIS 625 HB2 HIS 625 -19.029 -0.989 -9.567 14 HB3 HIS 625 HB1 HIS 625 -18.137 -2.373 -8.948 15 HD1 HIS 625 HD1 HIS 625 -21.103 -1.525 -10.815 16 HD2 HIS 625 HD2 HIS 625 -19.975 -4.600 -8.258 17 HE1 HIS 625 HE1 HIS 625 -22.704 -3.407 -11.272 18 HE2 HIS 625 HE2 HIS 625 -21.906 -5.306 -9.824 19 H MET 626 HN MET 626 -18.141 0.901 -6.992 20 HA MET 626 HA MET 626 -15.581 -0.154 -6.228 21 HB2 MET 626 HB2 MET 626 -15.078 2.246 -5.639 22 HB3 MET 626 HB1 MET 626 -15.529 1.960 -7.311 23 HG2 MET 626 HG2 MET 626 -17.817 2.729 -6.792 24 HG3 MET 626 HG1 MET 626 -17.297 3.080 -5.144 25 HE1 MET 626 HE1 MET 626 -15.471 4.894 -4.536 26 HE2 MET 626 HE2 MET 626 -14.685 5.943 -5.715 27 HE3 MET 626 HE3 MET 626 -14.320 4.218 -5.689 28 H SER 627 HN SER 627 -15.628 -1.349 -4.446 29 HA SER 627 HA SER 627 -15.798 -1.969 -2.275 30 HB2 SER 627 HB2 SER 627 -16.030 1.011 -1.789 31 HB3 SER 627 HB1 SER 627 -15.689 -0.202 -0.559 32 HG SER 627 HG SER 627 -13.734 0.591 -1.189 33 HA PRO 628 HA PRO 628 -20.424 -1.488 -2.761 34 HB2 PRO 628 HB2 PRO 628 -20.389 -4.424 -2.638 35 HB3 PRO 628 HB1 PRO 628 -21.104 -3.362 -3.852 36 HG2 PRO 628 HG2 PRO 628 -18.914 -4.822 -4.371 37 HG3 PRO 628 HG1 PRO 628 -19.147 -3.206 -5.063 38 HD2 PRO 628 HD2 PRO 628 -17.465 -4.046 -2.730 39 HD3 PRO 628 HD1 PRO 628 -17.085 -2.906 -4.040 40 H ASP 629 HN ASP 629 -18.372 -2.994 -0.468 41 HA ASP 629 HA ASP 629 -20.562 -3.540 1.385 42 HB2 ASP 629 HB2 ASP 629 -18.660 -5.171 1.104 43 HB3 ASP 629 HB1 ASP 629 -17.598 -3.969 1.833 44 H ARG 630 HN ARG 630 -19.906 -0.854 0.538 45 HA ARG 630 HA ARG 630 -19.679 1.255 1.353 46 HB2 ARG 630 HB2 ARG 630 -20.459 -0.200 3.877 47 HB3 ARG 630 HB1 ARG 630 -20.268 1.546 3.806 48 HG2 ARG 630 HG2 ARG 630 -22.188 -0.058 2.128 49 HG3 ARG 630 HG1 ARG 630 -22.608 0.840 3.588 50 HD2 ARG 630 HD2 ARG 630 -21.533 1.976 1.012 51 HD3 ARG 630 HD1 ARG 630 -23.168 2.151 1.643 52 HE ARG 630 HE ARG 630 -21.596 3.176 3.613 53 HH11 ARG 630 HH11 ARG 630 -21.987 3.815 0.203 54 HH12 ARG 630 HH12 ARG 630 -21.518 5.478 0.326 55 HH21 ARG 630 HH21 ARG 630 -20.972 5.377 3.789 56 HH22 ARG 630 HH22 ARG 630 -20.942 6.370 2.366 57 H CYS 631 HN CYS 631 -17.307 -0.114 1.011 58 HA CYS 631 HA CYS 631 -15.662 0.873 3.239 59 HB2 CYS 631 HB2 CYS 631 -14.850 -0.991 0.998 60 HB3 CYS 631 HB1 CYS 631 -13.902 -0.584 2.423 61 HG CYS 631 HG CYS 631 -16.767 -1.774 3.445 62 H GLN 632 HN GLN 632 -16.822 2.690 1.494 63 HA GLN 632 HA GLN 632 -14.913 3.381 -0.577 64 HB2 GLN 632 HB2 GLN 632 -17.511 4.619 0.323 65 HB3 GLN 632 HB1 GLN 632 -16.515 5.299 -0.956 66 HG2 GLN 632 HG2 GLN 632 -16.818 3.348 -2.312 67 HG3 GLN 632 HG1 GLN 632 -17.642 2.509 -0.999 68 HE21 GLN 632 HE21 GLN 632 -17.892 5.023 -3.401 69 HE22 GLN 632 HE22 GLN 632 -19.610 5.178 -3.338 70 H ASP 633 HN ASP 633 -14.858 3.667 2.593 71 HA ASP 633 HA ASP 633 -14.228 6.404 3.036 72 HB2 ASP 633 HB2 ASP 633 -13.483 5.655 5.238 73 HB3 ASP 633 HB1 ASP 633 -15.014 4.895 4.819 74 H TRP 634 HN TRP 634 -12.598 4.016 1.416 75 HA TRP 634 HA TRP 634 -9.926 4.646 2.138 76 HB2 TRP 634 HB2 TRP 634 -9.239 3.349 0.240 77 HB3 TRP 634 HB1 TRP 634 -10.602 2.527 0.976 78 HD1 TRP 634 HD1 TRP 634 -12.937 2.566 -0.405 79 HE1 TRP 634 HE1 TRP 634 -13.384 2.779 -2.929 80 HE3 TRP 634 HE3 TRP 634 -8.416 4.456 -1.876 81 HZ2 TRP 634 HZ2 TRP 634 -12.005 3.635 -5.238 82 HZ3 TRP 634 HZ3 TRP 634 -8.063 4.941 -4.262 83 HH2 TRP 634 HH2 TRP 634 -9.818 4.538 -5.907 84 H LEU 635 HN LEU 635 -12.300 6.047 0.074 85 HA LEU 635 HA LEU 635 -10.643 7.687 -1.510 86 HB2 LEU 635 HB2 LEU 635 -13.454 8.162 -0.509 87 HB3 LEU 635 HB1 LEU 635 -12.664 9.105 -1.758 88 HG LEU 635 HG LEU 635 -13.290 6.156 -1.956 89 HD11 LEU 635 HD11 LEU 635 -15.319 7.470 -1.984 90 HD12 LEU 635 HD12 LEU 635 -14.970 6.867 -3.603 91 HD13 LEU 635 HD13 LEU 635 -14.634 8.549 -3.198 92 HD21 LEU 635 HD21 LEU 635 -11.337 6.732 -3.252 93 HD22 LEU 635 HD22 LEU 635 -12.174 8.114 -3.960 94 HD23 LEU 635 HD23 LEU 635 -12.706 6.474 -4.333 95 H GLU 636 HN GLU 636 -12.204 8.166 1.621 96 HA GLU 636 HA GLU 636 -11.211 10.737 2.152 97 HB2 GLU 636 HB2 GLU 636 -12.087 8.475 3.943 98 HB3 GLU 636 HB1 GLU 636 -11.509 9.998 4.599 99 HG2 GLU 636 HG2 GLU 636 -13.905 9.987 4.565 100 HG3 GLU 636 HG1 GLU 636 -13.312 11.172 3.408 101 H ALA 637 HN ALA 637 -9.972 7.518 2.897 102 HA ALA 637 HA ALA 637 -7.722 8.202 4.369 103 HB1 ALA 637 HB1 ALA 637 -7.968 5.898 2.444 104 HB2 ALA 637 HB2 ALA 637 -8.595 5.911 4.093 105 HB3 ALA 637 HB3 ALA 637 -6.858 6.020 3.810 106 H LEU 638 HN LEU 638 -8.062 7.839 0.845 107 HA LEU 638 HA LEU 638 -5.310 8.588 0.430 108 HB2 LEU 638 HB2 LEU 638 -7.574 7.824 -1.347 109 HB3 LEU 638 HB1 LEU 638 -6.241 8.721 -2.044 110 HG LEU 638 HG LEU 638 -5.945 6.340 -2.412 111 HD11 LEU 638 HD11 LEU 638 -3.964 7.251 -0.334 112 HD12 LEU 638 HD12 LEU 638 -3.970 7.806 -2.007 113 HD13 LEU 638 HD13 LEU 638 -3.702 6.102 -1.645 114 HD21 LEU 638 HD21 LEU 638 -7.202 5.496 -0.498 115 HD22 LEU 638 HD22 LEU 638 -5.937 6.064 0.590 116 HD23 LEU 638 HD23 LEU 638 -5.592 4.783 -0.573 117 H HIS 639 HN HIS 639 -8.226 10.300 0.853 118 HA HIS 639 HA HIS 639 -7.435 12.605 -0.670 119 HB2 HIS 639 HB2 HIS 639 -9.837 11.976 -0.039 120 HB3 HIS 639 HB1 HIS 639 -9.462 12.607 1.562 121 HD1 HIS 639 HD1 HIS 639 -9.550 15.119 1.861 122 HD2 HIS 639 HD2 HIS 639 -9.754 13.957 -2.124 123 HE1 HIS 639 HE1 HIS 639 -10.084 17.208 0.573 124 HE2 HIS 639 HE2 HIS 639 -10.045 16.508 -1.843 125 H TRP 640 HN TRP 640 -7.144 11.501 2.640 126 HA TRP 640 HA TRP 640 -5.958 13.976 3.547 127 HB2 TRP 640 HB2 TRP 640 -6.343 11.279 4.847 128 HB3 TRP 640 HB1 TRP 640 -5.473 12.591 5.634 129 HD1 TRP 640 HD1 TRP 640 -8.996 11.552 4.564 130 HE1 TRP 640 HE1 TRP 640 -10.703 13.042 5.780 131 HE3 TRP 640 HE3 TRP 640 -5.772 14.882 6.728 132 HZ2 TRP 640 HZ2 TRP 640 -10.686 15.318 7.442 133 HZ3 TRP 640 HZ3 TRP 640 -6.706 16.684 8.117 134 HH2 TRP 640 HH2 TRP 640 -9.108 16.894 8.465 135 H TYR 641 HN TYR 641 -4.878 11.672 1.571 136 HA TYR 641 HA TYR 641 -2.262 11.180 2.626 137 HB2 TYR 641 HB2 TYR 641 -3.447 9.644 1.029 138 HB3 TYR 641 HB1 TYR 641 -3.226 10.855 -0.229 139 HD1 TYR 641 HD1 TYR 641 -1.503 8.426 1.941 140 HD2 TYR 641 HD2 TYR 641 -1.113 11.150 -1.303 141 HE1 TYR 641 HE1 TYR 641 0.699 7.472 1.413 142 HE2 TYR 641 HE2 TYR 641 1.089 10.201 -1.840 143 HH TYR 641 HH TYR 641 2.182 7.290 -0.634 144 H ASN 642 HN ASN 642 -1.634 13.327 3.101 145 HA ASN 642 HA ASN 642 -0.571 14.740 0.745 146 HB2 ASN 642 HB2 ASN 642 -1.640 15.987 3.293 147 HB3 ASN 642 HB1 ASN 642 -0.826 16.867 2.007 148 HD21 ASN 642 HD21 ASN 642 -1.874 17.069 -0.020 149 HD22 ASN 642 HD22 ASN 642 -3.594 16.916 -0.150 150 H THR 643 HN THR 643 0.971 12.883 1.674 151 HA THR 643 HA THR 643 2.547 13.785 3.930 152 HB THR 643 HB THR 643 3.815 11.585 3.328 153 HG1 THR 643 HG1 THR 643 2.951 10.420 1.786 154 HG21 THR 643 HG21 THR 643 2.390 11.865 5.305 155 HG22 THR 643 HG22 THR 643 2.179 10.269 4.584 156 HG23 THR 643 HG23 THR 643 0.965 11.522 4.324 157 H ALA 644 HN ALA 644 3.788 12.225 1.007 158 HA ALA 644 HA ALA 644 5.697 14.451 0.745 159 HB1 ALA 644 HB1 ALA 644 6.796 12.575 1.820 160 HB2 ALA 644 HB2 ALA 644 7.445 12.822 0.199 161 HB3 ALA 644 HB3 ALA 644 6.306 11.511 0.501 162 H LEU 645 HN LEU 645 4.295 11.645 -0.954 163 HA LEU 645 HA LEU 645 4.889 12.964 -3.502 164 HB2 LEU 645 HB2 LEU 645 3.908 10.166 -2.927 165 HB3 LEU 645 HB1 LEU 645 4.317 10.793 -4.512 166 HG LEU 645 HG LEU 645 6.259 10.456 -2.225 167 HD11 LEU 645 HD11 LEU 645 5.527 8.314 -3.077 168 HD12 LEU 645 HD12 LEU 645 7.183 8.637 -3.590 169 HD13 LEU 645 HD13 LEU 645 5.852 8.834 -4.731 170 HD21 LEU 645 HD21 LEU 645 6.696 11.254 -5.101 171 HD22 LEU 645 HD22 LEU 645 7.969 10.907 -3.931 172 HD23 LEU 645 HD23 LEU 645 6.901 12.286 -3.685 173 H GLU 646 HN GLU 646 3.295 13.363 -5.039 174 HA GLU 646 HA GLU 646 0.586 13.586 -3.955 175 HB2 GLU 646 HB2 GLU 646 1.971 14.850 -6.314 176 HB3 GLU 646 HB1 GLU 646 0.224 14.894 -6.143 177 HG2 GLU 646 HG2 GLU 646 1.109 16.946 -5.335 178 HG3 GLU 646 HG1 GLU 646 0.519 16.022 -3.955 179 H MET 647 HN MET 647 -1.075 12.397 -4.714 180 HA MET 647 HA MET 647 -0.458 10.489 -6.862 181 HB2 MET 647 HB2 MET 647 -2.436 10.335 -4.586 182 HB3 MET 647 HB1 MET 647 -2.403 9.190 -5.918 183 HG2 MET 647 HG2 MET 647 -0.127 8.547 -5.315 184 HG3 MET 647 HG1 MET 647 -0.156 9.699 -3.979 185 HE1 MET 647 HE1 MET 647 -3.188 7.472 -5.157 186 HE2 MET 647 HE2 MET 647 -2.926 6.011 -4.204 187 HE3 MET 647 HE3 MET 647 -1.784 6.453 -5.473 188 H THR 648 HN THR 648 -1.933 10.168 -8.530 189 HA THR 648 HA THR 648 -3.742 12.396 -8.980 190 HB THR 648 HB THR 648 -4.043 11.238 -11.250 191 HG1 THR 648 HG1 THR 648 -1.713 9.999 -11.311 192 HG21 THR 648 HG21 THR 648 -2.659 13.227 -10.948 193 HG22 THR 648 HG22 THR 648 -1.917 12.116 -12.098 194 HG23 THR 648 HG23 THR 648 -1.302 12.217 -10.449 195 H ASP 649 HN ASP 649 -5.090 11.583 -7.161 196 HA ASP 649 HA ASP 649 -6.615 9.179 -7.618 197 HB2 ASP 649 HB2 ASP 649 -7.833 9.836 -5.545 198 HB3 ASP 649 HB1 ASP 649 -6.092 9.745 -5.329 199 H CYS 650 HN CYS 650 -6.918 10.636 -9.789 200 HA CYS 650 HA CYS 650 -9.566 11.888 -9.635 201 HB2 CYS 650 HB2 CYS 650 -7.798 13.223 -10.721 202 HB3 CYS 650 HB1 CYS 650 -7.514 11.921 -11.867 203 HG CYS 650 HG CYS 650 -8.891 13.392 -13.523 204 H ASP 651 HN ASP 651 -11.230 11.160 -10.944 205 HA ASP 651 HA ASP 651 -12.562 9.637 -11.959 206 HB2 ASP 651 HB2 ASP 651 -11.221 9.999 -13.924 207 HB3 ASP 651 HB1 ASP 651 -9.974 8.907 -13.331 208 H GLU 652 HN GLU 652 -13.120 8.483 -10.138 209 HA GLU 652 HA GLU 652 -11.574 6.092 -9.519 210 HB2 GLU 652 HB2 GLU 652 -14.049 7.160 -8.145 211 HB3 GLU 652 HB1 GLU 652 -13.002 5.874 -7.563 212 HG2 GLU 652 HG2 GLU 652 -12.187 7.567 -6.308 213 HG3 GLU 652 HG1 GLU 652 -11.181 7.800 -7.735 214 H GLY 653 HN GLY 653 -12.671 6.033 -12.016 215 HA2 GLY 653 HA2 GLY 653 -15.268 4.817 -12.045 216 HA3 GLY 653 HA1 GLY 653 -14.178 4.988 -13.412 217 H GLY 654 HN GLY 654 -12.184 3.641 -11.360 218 HA2 GLY 654 HA2 GLY 654 -12.497 0.993 -12.402 219 HA3 GLY 654 HA1 GLY 654 -11.283 1.524 -11.249 220 H GLU 655 HN GLU 655 -14.740 0.853 -11.490 221 HA GLU 655 HA GLU 655 -14.948 0.401 -8.648 222 HB2 GLU 655 HB2 GLU 655 -16.989 0.094 -10.848 223 HB3 GLU 655 HB1 GLU 655 -17.323 -0.023 -9.128 224 HG2 GLU 655 HG2 GLU 655 -16.487 2.339 -8.921 225 HG3 GLU 655 HG1 GLU 655 -16.490 2.401 -10.684 226 H TYR 656 HN TYR 656 -13.876 -1.414 -8.099 227 HA TYR 656 HA TYR 656 -15.169 -3.907 -8.673 228 HB2 TYR 656 HB2 TYR 656 -13.582 -3.555 -10.619 229 HB3 TYR 656 HB1 TYR 656 -12.262 -3.622 -9.462 230 HD1 TYR 656 HD1 TYR 656 -14.841 -5.561 -11.194 231 HD2 TYR 656 HD2 TYR 656 -11.603 -5.721 -8.442 232 HE1 TYR 656 HE1 TYR 656 -14.793 -8.008 -11.401 233 HE2 TYR 656 HE2 TYR 656 -11.548 -8.172 -8.643 234 HH TYR 656 HH TYR 656 -13.028 -9.998 -9.273 235 H ASP 657 HN ASP 657 -14.918 -5.265 -6.952 236 HA ASP 657 HA ASP 657 -12.988 -4.445 -4.906 237 HB2 ASP 657 HB2 ASP 657 -14.334 -5.630 -3.278 238 HB3 ASP 657 HB1 ASP 657 -15.363 -4.538 -4.193 239 H GLY 658 HN GLY 658 -11.188 -5.557 -4.763 240 HA2 GLY 658 HA2 GLY 658 -11.064 -8.161 -6.119 241 HA3 GLY 658 HA1 GLY 658 -9.694 -7.113 -5.791 242 H MET 659 HN MET 659 -12.151 -7.962 -3.433 243 HA MET 659 HA MET 659 -10.114 -9.537 -2.013 244 HB2 MET 659 HB2 MET 659 -10.906 -7.459 -0.857 245 HB3 MET 659 HB1 MET 659 -12.516 -8.163 -0.800 246 HG2 MET 659 HG2 MET 659 -11.338 -8.450 1.314 247 HG3 MET 659 HG1 MET 659 -11.697 -10.000 0.553 248 HE1 MET 659 HE1 MET 659 -9.673 -9.867 2.903 249 HE2 MET 659 HE2 MET 659 -8.319 -10.817 2.289 250 HE3 MET 659 HE3 MET 659 -9.976 -11.347 1.994 251 H GLN 660 HN GLN 660 -10.759 -11.340 -3.349 252 HA GLN 660 HA GLN 660 -13.428 -12.401 -2.973 253 HB2 GLN 660 HB2 GLN 660 -12.264 -12.603 -5.160 254 HB3 GLN 660 HB1 GLN 660 -11.053 -13.621 -4.396 255 HG2 GLN 660 HG2 GLN 660 -12.624 -14.994 -5.575 256 HG3 GLN 660 HG1 GLN 660 -12.810 -15.251 -3.841 257 HE21 GLN 660 HE21 GLN 660 -14.243 -13.962 -6.718 258 HE22 GLN 660 HE22 GLN 660 -15.826 -13.718 -6.068 259 H ASP 661 HN ASP 661 -10.116 -13.527 -2.333 260 HA ASP 661 HA ASP 661 -10.776 -14.546 0.233 261 HB2 ASP 661 HB2 ASP 661 -11.865 -16.326 -1.014 262 HB3 ASP 661 HB1 ASP 661 -10.420 -16.574 -1.987 263 H GLU 662 HN GLU 662 -8.624 -14.674 -2.542 264 HA GLU 662 HA GLU 662 -6.309 -15.037 -0.798 265 HB2 GLU 662 HB2 GLU 662 -6.488 -16.375 -2.878 266 HB3 GLU 662 HB1 GLU 662 -6.493 -14.889 -3.817 267 HG2 GLU 662 HG2 GLU 662 -4.240 -14.383 -2.896 268 HG3 GLU 662 HG1 GLU 662 -4.242 -15.980 -2.147 269 HA PRO 663 HA PRO 663 -6.190 -10.509 -1.182 270 HB2 PRO 663 HB2 PRO 663 -4.684 -10.033 1.021 271 HB3 PRO 663 HB1 PRO 663 -6.426 -10.331 1.105 272 HG2 PRO 663 HG2 PRO 663 -4.159 -12.189 1.688 273 HG3 PRO 663 HG1 PRO 663 -5.725 -12.029 2.510 274 HD2 PRO 663 HD2 PRO 663 -5.119 -13.987 0.672 275 HD3 PRO 663 HD1 PRO 663 -6.769 -13.430 1.039 276 H ARG 664 HN ARG 664 -4.835 -9.757 -2.687 277 HA ARG 664 HA ARG 664 -2.227 -10.896 -3.049 278 HB2 ARG 664 HB2 ARG 664 -3.627 -8.612 -4.447 279 HB3 ARG 664 HB1 ARG 664 -2.054 -9.239 -4.919 280 HG2 ARG 664 HG2 ARG 664 -3.062 -11.429 -5.351 281 HG3 ARG 664 HG1 ARG 664 -4.641 -10.784 -4.901 282 HD2 ARG 664 HD2 ARG 664 -2.933 -9.754 -7.161 283 HD3 ARG 664 HD1 ARG 664 -4.272 -10.881 -7.349 284 HE ARG 664 HE ARG 664 -4.451 -8.034 -6.696 285 HH11 ARG 664 HH11 ARG 664 -6.094 -11.080 -7.231 286 HH12 ARG 664 HH12 ARG 664 -7.624 -10.339 -7.577 287 HH21 ARG 664 HH21 ARG 664 -6.460 -7.058 -7.158 288 HH22 ARG 664 HH22 ARG 664 -7.832 -8.052 -7.538 289 H TYR 665 HN TYR 665 -3.516 -8.092 -1.493 290 HA TYR 665 HA TYR 665 -1.218 -6.470 -1.686 291 HB2 TYR 665 HB2 TYR 665 -2.305 -5.140 0.153 292 HB3 TYR 665 HB1 TYR 665 -3.267 -5.359 -1.302 293 HD1 TYR 665 HD1 TYR 665 -5.057 -7.232 -1.237 294 HD2 TYR 665 HD2 TYR 665 -3.207 -5.614 2.231 295 HE1 TYR 665 HE1 TYR 665 -6.948 -8.009 0.127 296 HE2 TYR 665 HE2 TYR 665 -5.096 -6.394 3.606 297 HH TYR 665 HH TYR 665 -7.376 -8.607 2.508 298 H MET 666 HN MET 666 -2.220 -8.871 0.678 299 HA MET 666 HA MET 666 -0.191 -8.177 2.562 300 HB2 MET 666 HB2 MET 666 -1.959 -10.588 2.234 301 HB3 MET 666 HB1 MET 666 -0.654 -10.571 3.423 302 HG2 MET 666 HG2 MET 666 -3.019 -8.712 3.296 303 HG3 MET 666 HG1 MET 666 -2.699 -9.954 4.504 304 HE1 MET 666 HE1 MET 666 -3.001 -8.272 6.542 305 HE2 MET 666 HE2 MET 666 -3.470 -7.065 5.348 306 HE3 MET 666 HE3 MET 666 -2.270 -6.667 6.575 307 H MET 667 HN MET 667 -0.422 -10.472 -0.097 308 HA MET 667 HA MET 667 2.054 -11.755 0.347 309 HB2 MET 667 HB2 MET 667 0.371 -12.710 -1.146 310 HB3 MET 667 HB1 MET 667 0.505 -11.323 -2.216 311 HG2 MET 667 HG2 MET 667 2.912 -11.959 -2.567 312 HG3 MET 667 HG1 MET 667 2.564 -13.451 -1.698 313 HE1 MET 667 HE1 MET 667 0.684 -12.268 -5.745 314 HE2 MET 667 HE2 MET 667 1.862 -11.290 -4.867 315 HE3 MET 667 HE3 MET 667 0.226 -11.479 -4.237 316 H LEU 668 HN LEU 668 1.086 -9.057 -1.733 317 HA LEU 668 HA LEU 668 3.659 -8.557 -2.778 318 HB2 LEU 668 HB2 LEU 668 1.287 -6.709 -2.520 319 HB3 LEU 668 HB1 LEU 668 2.711 -6.382 -3.491 320 HG LEU 668 HG LEU 668 0.759 -8.643 -3.941 321 HD11 LEU 668 HD11 LEU 668 -0.203 -6.484 -4.486 322 HD12 LEU 668 HD12 LEU 668 0.135 -7.405 -5.952 323 HD13 LEU 668 HD13 LEU 668 1.204 -6.089 -5.471 324 HD21 LEU 668 HD21 LEU 668 1.998 -8.929 -6.069 325 HD22 LEU 668 HD22 LEU 668 2.951 -9.320 -4.640 326 HD23 LEU 668 HD23 LEU 668 3.207 -7.788 -5.476 327 H ALA 669 HN ALA 669 2.044 -7.498 0.174 328 HA ALA 669 HA ALA 669 3.955 -5.413 0.698 329 HB1 ALA 669 HB1 ALA 669 2.865 -5.236 2.866 330 HB2 ALA 669 HB2 ALA 669 1.960 -6.715 2.547 331 HB3 ALA 669 HB3 ALA 669 1.669 -5.275 1.570 332 H ARG 670 HN ARG 670 3.453 -8.776 1.647 333 HA ARG 670 HA ARG 670 5.558 -8.955 3.518 334 HB2 ARG 670 HB2 ARG 670 3.823 -10.678 3.297 335 HB3 ARG 670 HB1 ARG 670 4.405 -11.066 1.684 336 HG2 ARG 670 HG2 ARG 670 6.548 -11.783 2.651 337 HG3 ARG 670 HG1 ARG 670 5.907 -11.454 4.265 338 HD2 ARG 670 HD2 ARG 670 4.136 -13.092 3.898 339 HD3 ARG 670 HD1 ARG 670 4.753 -13.405 2.278 340 HE ARG 670 HE ARG 670 6.713 -13.824 4.327 341 HH11 ARG 670 HH11 ARG 670 4.044 -15.269 2.587 342 HH12 ARG 670 HH12 ARG 670 4.552 -16.899 2.899 343 HH21 ARG 670 HH21 ARG 670 7.397 -15.978 4.731 344 HH22 ARG 670 HH22 ARG 670 6.454 -17.299 4.115 345 H GLU 671 HN GLU 671 5.389 -9.429 0.014 346 HA GLU 671 HA GLU 671 8.062 -10.223 -0.386 347 HB2 GLU 671 HB2 GLU 671 6.143 -10.398 -2.021 348 HB3 GLU 671 HB1 GLU 671 6.294 -8.670 -2.287 349 HG2 GLU 671 HG2 GLU 671 7.384 -9.834 -4.063 350 HG3 GLU 671 HG1 GLU 671 8.603 -9.031 -3.076 351 H ALA 672 HN ALA 672 6.447 -7.060 -0.534 352 HA ALA 672 HA ALA 672 8.686 -5.473 -1.050 353 HB1 ALA 672 HB1 ALA 672 6.269 -4.728 0.593 354 HB2 ALA 672 HB2 ALA 672 6.357 -4.679 -1.166 355 HB3 ALA 672 HB3 ALA 672 7.384 -3.617 -0.202 356 H GLU 673 HN GLU 673 7.353 -6.625 2.016 357 HA GLU 673 HA GLU 673 9.045 -5.174 3.725 358 HB2 GLU 673 HB2 GLU 673 6.995 -6.311 4.477 359 HB3 GLU 673 HB1 GLU 673 7.745 -7.870 4.170 360 HG2 GLU 673 HG2 GLU 673 9.374 -7.478 5.895 361 HG3 GLU 673 HG1 GLU 673 8.756 -5.847 6.151 362 H MET 674 HN MET 674 9.357 -8.371 2.233 363 HA MET 674 HA MET 674 11.847 -8.992 3.461 364 HB2 MET 674 HB2 MET 674 10.600 -10.049 0.917 365 HB3 MET 674 HB1 MET 674 12.071 -10.688 1.635 366 HG2 MET 674 HG2 MET 674 10.730 -11.147 3.710 367 HG3 MET 674 HG1 MET 674 9.292 -10.746 2.772 368 HE1 MET 674 HE1 MET 674 10.131 -11.881 -0.103 369 HE2 MET 674 HE2 MET 674 8.526 -12.137 0.587 370 HE3 MET 674 HE3 MET 674 9.441 -13.502 -0.047 371 H LEU 675 HN LEU 675 10.959 -7.319 0.462 372 HA LEU 675 HA LEU 675 13.621 -7.210 -0.551 373 HB2 LEU 675 HB2 LEU 675 10.980 -6.073 -1.251 374 HB3 LEU 675 HB1 LEU 675 12.369 -5.140 -1.770 375 HG LEU 675 HG LEU 675 11.507 -6.656 -3.518 376 HD11 LEU 675 HD11 LEU 675 14.279 -7.262 -2.512 377 HD12 LEU 675 HD12 LEU 675 13.806 -5.963 -3.610 378 HD13 LEU 675 HD13 LEU 675 13.677 -7.645 -4.124 379 HD21 LEU 675 HD21 LEU 675 11.839 -9.051 -3.346 380 HD22 LEU 675 HD22 LEU 675 10.764 -8.488 -2.067 381 HD23 LEU 675 HD23 LEU 675 12.445 -8.871 -1.701 382 H PHE 676 HN PHE 676 11.731 -5.242 1.621 383 HA PHE 676 HA PHE 676 13.487 -2.976 1.356 384 HB2 PHE 676 HB2 PHE 676 11.076 -2.672 1.794 385 HB3 PHE 676 HB1 PHE 676 11.271 -3.463 3.361 386 HD1 PHE 676 HD1 PHE 676 11.134 -1.980 5.086 387 HD2 PHE 676 HD2 PHE 676 13.143 -0.790 1.527 388 HE1 PHE 676 HE1 PHE 676 11.670 0.186 6.117 389 HE2 PHE 676 HE2 PHE 676 13.683 1.376 2.554 390 HZ PHE 676 HZ PHE 676 13.003 1.857 4.831 391 H THR 677 HN THR 677 12.761 -5.272 4.009 392 HA THR 677 HA THR 677 14.810 -4.088 5.639 393 HB THR 677 HB THR 677 14.226 -5.894 7.258 394 HG1 THR 677 HG1 THR 677 12.157 -6.575 5.413 395 HG21 THR 677 HG21 THR 677 13.047 -3.761 7.323 396 HG22 THR 677 HG22 THR 677 11.953 -5.085 7.726 397 HG23 THR 677 HG23 THR 677 11.894 -4.348 6.125 398 H GLY 678 HN GLY 678 14.623 -6.694 3.401 399 HA2 GLY 678 HA2 GLY 678 16.697 -7.675 2.591 400 HA3 GLY 678 HA1 GLY 678 17.309 -7.585 4.241 401 H GLY 679 HN GLY 679 15.826 -9.554 1.954 402 HA2 GLY 679 HA2 GLY 679 14.590 -11.275 3.981 403 HA3 GLY 679 HA1 GLY 679 14.338 -11.381 2.244 404 H TYR 680 HN TYR 680 14.850 -13.646 3.644 405 HA TYR 680 HA TYR 680 17.678 -14.230 3.482 406 HB2 TYR 680 HB2 TYR 680 15.301 -15.944 4.240 407 HB3 TYR 680 HB1 TYR 680 16.978 -16.488 4.297 408 HD1 TYR 680 HD1 TYR 680 18.503 -15.639 5.984 409 HD2 TYR 680 HD2 TYR 680 14.461 -14.329 5.851 410 HE1 TYR 680 HE1 TYR 680 18.755 -14.667 8.227 411 HE2 TYR 680 HE2 TYR 680 14.700 -13.356 8.098 412 HH TYR 680 HH TYR 680 16.163 -13.720 10.122 413 H GLY 681 HN GLY 681 17.826 -13.747 1.227 414 HA2 GLY 681 HA2 GLY 681 18.236 -15.301 -0.728 415 HA3 GLY 681 HA1 GLY 681 16.527 -15.709 -0.559 416 H LEU 682 HN LEU 682 16.318 -12.718 0.297 417 HA LEU 682 HA LEU 682 16.137 -11.641 -2.431 418 HB2 LEU 682 HB2 LEU 682 14.497 -11.109 0.036 419 HB3 LEU 682 HB1 LEU 682 14.525 -9.979 -1.298 420 HG LEU 682 HG LEU 682 12.547 -11.302 -1.473 421 HD11 LEU 682 HD11 LEU 682 13.760 -10.757 -3.557 422 HD12 LEU 682 HD12 LEU 682 12.754 -12.199 -3.674 423 HD13 LEU 682 HD13 LEU 682 14.500 -12.357 -3.502 424 HD21 LEU 682 HD21 LEU 682 12.597 -13.742 -1.698 425 HD22 LEU 682 HD22 LEU 682 13.196 -13.210 -0.129 426 HD23 LEU 682 HD23 LEU 682 14.331 -13.730 -1.376 427 H GLU 683 HN GLU 683 17.633 -10.155 -2.877 428 HA GLU 683 HA GLU 683 19.141 -8.813 -0.849 429 HB2 GLU 683 HB2 GLU 683 18.958 -8.449 -3.837 430 HB3 GLU 683 HB1 GLU 683 19.936 -7.399 -2.828 431 HG2 GLU 683 HG2 GLU 683 21.374 -9.026 -3.756 432 HG3 GLU 683 HG1 GLU 683 21.169 -9.426 -2.053 433 H LYS 684 HN LYS 684 18.842 -6.814 0.003 434 HA LYS 684 HA LYS 684 16.247 -5.702 -0.196 435 HB2 LYS 684 HB2 LYS 684 16.962 -4.017 1.359 436 HB3 LYS 684 HB1 LYS 684 17.606 -5.566 1.869 437 HG2 LYS 684 HG2 LYS 684 19.797 -4.975 1.039 438 HG3 LYS 684 HG1 LYS 684 19.170 -3.458 0.386 439 HD2 LYS 684 HD2 LYS 684 19.193 -4.235 3.306 440 HD3 LYS 684 HD1 LYS 684 20.341 -3.140 2.533 441 HE2 LYS 684 HE2 LYS 684 18.449 -1.646 1.941 442 HE3 LYS 684 HE1 LYS 684 17.358 -2.727 2.804 443 HZ1 LYS 684 HZ1 LYS 684 18.497 -2.259 4.839 444 HZ2 LYS 684 HZ2 LYS 684 18.058 -0.791 4.122 445 HZ3 LYS 684 HZ3 LYS 684 19.665 -1.323 4.049 446 H ASP 685 HN ASP 685 15.441 -4.211 -1.450 447 HA ASP 685 HA ASP 685 17.193 -2.361 -2.883 448 HB2 ASP 685 HB2 ASP 685 16.859 -4.253 -4.435 449 HB3 ASP 685 HB1 ASP 685 15.109 -4.070 -4.271 450 HA PRO 686 HA PRO 686 13.890 0.013 -0.893 451 HB2 PRO 686 HB2 PRO 686 15.358 2.199 -2.278 452 HB3 PRO 686 HB1 PRO 686 14.836 2.079 -0.593 453 HG2 PRO 686 HG2 PRO 686 17.397 1.746 -1.271 454 HG3 PRO 686 HG1 PRO 686 16.648 0.780 0.017 455 HD2 PRO 686 HD2 PRO 686 17.346 -0.001 -2.787 456 HD3 PRO 686 HD1 PRO 686 17.388 -0.974 -1.295 457 H GLN 687 HN GLN 687 14.873 0.243 -4.278 458 HA GLN 687 HA GLN 687 12.663 1.848 -5.075 459 HB2 GLN 687 HB2 GLN 687 14.752 1.744 -6.385 460 HB3 GLN 687 HB1 GLN 687 14.416 0.061 -6.769 461 HG2 GLN 687 HG2 GLN 687 13.827 1.535 -8.612 462 HG3 GLN 687 HG1 GLN 687 12.410 0.705 -7.968 463 HE21 GLN 687 HE21 GLN 687 10.932 2.205 -8.681 464 HE22 GLN 687 HE22 GLN 687 10.834 3.816 -8.055 465 H ARG 688 HN ARG 688 13.388 -1.643 -5.442 466 HA ARG 688 HA ARG 688 10.866 -2.255 -6.575 467 HB2 ARG 688 HB2 ARG 688 12.895 -3.717 -6.756 468 HB3 ARG 688 HB1 ARG 688 12.701 -4.117 -5.053 469 HG2 ARG 688 HG2 ARG 688 10.479 -5.042 -5.546 470 HG3 ARG 688 HG1 ARG 688 10.736 -4.703 -7.255 471 HD2 ARG 688 HD2 ARG 688 12.691 -6.194 -7.236 472 HD3 ARG 688 HD1 ARG 688 12.383 -6.553 -5.537 473 HE ARG 688 HE ARG 688 10.183 -7.063 -7.357 474 HH11 ARG 688 HH11 ARG 688 12.968 -8.421 -5.712 475 HH12 ARG 688 HH12 ARG 688 12.378 -10.049 -5.804 476 HH21 ARG 688 HH21 ARG 688 9.414 -9.195 -7.478 477 HH22 ARG 688 HH22 ARG 688 10.350 -10.492 -6.794 478 H SER 689 HN SER 689 12.117 -2.081 -3.304 479 HA SER 689 HA SER 689 10.035 -3.211 -1.890 480 HB2 SER 689 HB2 SER 689 11.589 -0.728 -1.134 481 HB3 SER 689 HB1 SER 689 10.679 -1.761 -0.030 482 HG SER 689 HG SER 689 12.952 -2.506 -1.565 483 H GLY 690 HN GLY 690 10.319 0.261 -2.924 484 HA2 GLY 690 HA2 GLY 690 7.740 0.903 -1.943 485 HA3 GLY 690 HA1 GLY 690 8.726 1.865 -3.046 486 H ASP 691 HN ASP 691 8.986 -0.267 -5.005 487 HA ASP 691 HA ASP 691 6.689 0.229 -6.583 488 HB2 ASP 691 HB2 ASP 691 8.876 -0.419 -7.540 489 HB3 ASP 691 HB1 ASP 691 8.716 -2.017 -6.815 490 H LEU 692 HN LEU 692 7.671 -2.574 -4.632 491 HA LEU 692 HA LEU 692 5.314 -4.074 -5.173 492 HB2 LEU 692 HB2 LEU 692 7.460 -4.295 -3.077 493 HB3 LEU 692 HB1 LEU 692 6.099 -5.398 -3.151 494 HG LEU 692 HG LEU 692 7.926 -4.999 -5.501 495 HD11 LEU 692 HD11 LEU 692 9.328 -5.678 -3.643 496 HD12 LEU 692 HD12 LEU 692 9.107 -7.027 -4.757 497 HD13 LEU 692 HD13 LEU 692 8.205 -6.976 -3.242 498 HD21 LEU 692 HD21 LEU 692 6.033 -7.184 -4.644 499 HD22 LEU 692 HD22 LEU 692 7.080 -7.250 -6.064 500 HD23 LEU 692 HD23 LEU 692 5.797 -6.044 -5.970 501 H TYR 693 HN TYR 693 6.279 -1.826 -2.618 502 HA TYR 693 HA TYR 693 4.037 -2.242 -0.953 503 HB2 TYR 693 HB2 TYR 693 5.978 0.014 -1.286 504 HB3 TYR 693 HB1 TYR 693 4.513 0.277 -0.337 505 HD1 TYR 693 HD1 TYR 693 4.116 -2.034 1.244 506 HD2 TYR 693 HD2 TYR 693 7.808 -0.283 0.071 507 HE1 TYR 693 HE1 TYR 693 5.199 -2.992 3.234 508 HE2 TYR 693 HE2 TYR 693 8.902 -1.237 2.050 509 HH TYR 693 HH TYR 693 7.336 -3.552 4.088 510 H THR 694 HN THR 694 4.556 -0.140 -3.747 511 HA THR 694 HA THR 694 2.021 1.158 -3.446 512 HB THR 694 HB THR 694 2.478 1.936 -5.854 513 HG1 THR 694 HG1 THR 694 5.107 1.020 -5.273 514 HG21 THR 694 HG21 THR 694 4.470 2.594 -3.678 515 HG22 THR 694 HG22 THR 694 2.880 3.331 -3.883 516 HG23 THR 694 HG23 THR 694 4.131 3.581 -5.101 517 H GLN 695 HN GLN 695 3.234 -1.605 -5.304 518 HA GLN 695 HA GLN 695 0.838 -2.113 -6.724 519 HB2 GLN 695 HB2 GLN 695 2.955 -4.025 -5.713 520 HB3 GLN 695 HB1 GLN 695 1.642 -4.488 -6.782 521 HG2 GLN 695 HG2 GLN 695 2.493 -2.892 -8.459 522 HG3 GLN 695 HG1 GLN 695 3.859 -2.548 -7.391 523 HE21 GLN 695 HE21 GLN 695 5.421 -3.340 -8.806 524 HE22 GLN 695 HE22 GLN 695 5.567 -5.022 -9.187 525 H ALA 696 HN ALA 696 2.053 -3.168 -3.571 526 HA ALA 696 HA ALA 696 -0.107 -4.751 -2.811 527 HB1 ALA 696 HB1 ALA 696 2.064 -4.710 -1.646 528 HB2 ALA 696 HB2 ALA 696 0.703 -4.510 -0.545 529 HB3 ALA 696 HB3 ALA 696 1.672 -3.112 -1.012 530 H ALA 697 HN ALA 697 0.436 -1.236 -2.429 531 HA ALA 697 HA ALA 697 -1.880 -0.813 -0.869 532 HB1 ALA 697 HB1 ALA 697 -0.488 1.182 -2.638 533 HB2 ALA 697 HB2 ALA 697 0.093 0.723 -1.041 534 HB3 ALA 697 HB3 ALA 697 -1.475 1.510 -1.215 535 H GLU 698 HN GLU 698 -1.194 -0.757 -4.328 536 HA GLU 698 HA GLU 698 -3.686 0.192 -5.189 537 HB2 GLU 698 HB2 GLU 698 -1.717 -0.048 -6.666 538 HB3 GLU 698 HB1 GLU 698 -1.852 -1.797 -6.552 539 HG2 GLU 698 HG2 GLU 698 -4.086 -1.653 -7.594 540 HG3 GLU 698 HG1 GLU 698 -3.851 0.083 -7.789 541 H ALA 699 HN ALA 699 -2.505 -3.126 -4.630 542 HA ALA 699 HA ALA 699 -4.947 -4.420 -5.188 543 HB1 ALA 699 HB1 ALA 699 -2.791 -5.580 -5.146 544 HB2 ALA 699 HB2 ALA 699 -3.961 -6.349 -4.075 545 HB3 ALA 699 HB3 ALA 699 -2.692 -5.325 -3.405 546 H ALA 700 HN ALA 700 -3.720 -2.803 -2.375 547 HA ALA 700 HA ALA 700 -5.574 -3.883 -0.498 548 HB1 ALA 700 HB1 ALA 700 -4.078 -1.271 -0.371 549 HB2 ALA 700 HB2 ALA 700 -3.467 -2.825 0.187 550 HB3 ALA 700 HB3 ALA 700 -4.863 -2.095 0.976 551 H MET 701 HN MET 701 -5.463 -0.795 -2.294 552 HA MET 701 HA MET 701 -8.007 0.052 -1.335 553 HB2 MET 701 HB2 MET 701 -7.864 1.848 -2.928 554 HB3 MET 701 HB1 MET 701 -6.273 1.608 -2.224 555 HG2 MET 701 HG2 MET 701 -5.582 0.383 -4.229 556 HG3 MET 701 HG1 MET 701 -7.173 0.663 -4.936 557 HE1 MET 701 HE1 MET 701 -4.543 1.451 -6.497 558 HE2 MET 701 HE2 MET 701 -4.984 3.051 -7.089 559 HE3 MET 701 HE3 MET 701 -6.175 1.750 -7.092 560 H GLU 702 HN GLU 702 -6.938 -1.935 -3.979 561 HA GLU 702 HA GLU 702 -9.385 -2.043 -5.420 562 HB2 GLU 702 HB2 GLU 702 -7.200 -2.783 -6.322 563 HB3 GLU 702 HB1 GLU 702 -7.185 -4.103 -5.166 564 HG2 GLU 702 HG2 GLU 702 -7.861 -5.073 -7.166 565 HG3 GLU 702 HG1 GLU 702 -9.353 -4.867 -6.251 566 H ALA 703 HN ALA 703 -8.059 -3.804 -2.686 567 HA ALA 703 HA ALA 703 -10.289 -5.664 -2.616 568 HB1 ALA 703 HB1 ALA 703 -8.048 -6.507 -2.193 569 HB2 ALA 703 HB2 ALA 703 -9.069 -6.718 -0.771 570 HB3 ALA 703 HB3 ALA 703 -7.882 -5.416 -0.818 571 H MET 704 HN MET 704 -10.404 -2.661 -1.945 572 HA MET 704 HA MET 704 -11.735 -1.352 -0.648 573 HB2 MET 704 HB2 MET 704 -12.741 -3.967 0.496 574 HB3 MET 704 HB1 MET 704 -13.493 -2.396 0.724 575 HG2 MET 704 HG2 MET 704 -13.862 -2.269 -1.718 576 HG3 MET 704 HG1 MET 704 -13.213 -3.902 -1.865 577 HE1 MET 704 HE1 MET 704 -15.823 -5.973 0.216 578 HE2 MET 704 HE2 MET 704 -14.378 -5.199 0.865 579 HE3 MET 704 HE3 MET 704 -14.310 -6.021 -0.692 580 H LYS 705 HN LYS 705 -9.069 -2.186 0.226 581 HA LYS 705 HA LYS 705 -9.386 -1.959 3.149 582 HB2 LYS 705 HB2 LYS 705 -6.981 -2.998 1.639 583 HB3 LYS 705 HB1 LYS 705 -7.228 -3.030 3.378 584 HG2 LYS 705 HG2 LYS 705 -8.857 -4.553 1.354 585 HG3 LYS 705 HG1 LYS 705 -7.565 -5.223 2.352 586 HD2 LYS 705 HD2 LYS 705 -8.831 -4.732 4.365 587 HD3 LYS 705 HD1 LYS 705 -10.104 -3.973 3.405 588 HE2 LYS 705 HE2 LYS 705 -10.517 -6.122 2.285 589 HE3 LYS 705 HE1 LYS 705 -9.268 -6.870 3.280 590 HZ1 LYS 705 HZ1 LYS 705 -10.570 -6.372 5.241 591 HZ2 LYS 705 HZ2 LYS 705 -11.492 -7.275 4.147 592 HZ3 LYS 705 HZ3 LYS 705 -11.756 -5.614 4.302 593 H GLY 706 HN GLY 706 -9.686 0.371 2.664 594 HA2 GLY 706 HA2 GLY 706 -7.763 1.949 1.381 595 HA3 GLY 706 HA1 GLY 706 -8.949 2.534 2.532 596 H ARG 707 HN ARG 707 -8.026 1.076 4.814 597 HA ARG 707 HA ARG 707 -6.026 2.844 5.733 598 HB2 ARG 707 HB2 ARG 707 -7.646 1.695 7.216 599 HB3 ARG 707 HB1 ARG 707 -6.837 0.169 6.895 600 HG2 ARG 707 HG2 ARG 707 -4.804 1.015 7.935 601 HG3 ARG 707 HG1 ARG 707 -5.594 2.564 8.229 602 HD2 ARG 707 HD2 ARG 707 -5.624 1.222 10.245 603 HD3 ARG 707 HD1 ARG 707 -7.262 1.433 9.628 604 HE ARG 707 HE ARG 707 -5.794 -1.010 8.944 605 HH11 ARG 707 HH11 ARG 707 -8.360 0.556 10.738 606 HH12 ARG 707 HH12 ARG 707 -9.201 -0.922 11.081 607 HH21 ARG 707 HH21 ARG 707 -6.883 -2.968 9.419 608 HH22 ARG 707 HH22 ARG 707 -8.359 -2.929 10.329 609 H LEU 708 HN LEU 708 -5.909 -0.508 4.618 610 HA LEU 708 HA LEU 708 -3.159 -0.946 5.051 611 HB2 LEU 708 HB2 LEU 708 -5.195 -2.180 3.221 612 HB3 LEU 708 HB1 LEU 708 -3.507 -2.617 3.077 613 HG LEU 708 HG LEU 708 -4.729 -4.266 4.384 614 HD11 LEU 708 HD11 LEU 708 -2.372 -3.830 4.900 615 HD12 LEU 708 HD12 LEU 708 -3.282 -4.386 6.301 616 HD13 LEU 708 HD13 LEU 708 -2.870 -2.678 6.139 617 HD21 LEU 708 HD21 LEU 708 -5.624 -3.688 6.606 618 HD22 LEU 708 HD22 LEU 708 -6.497 -2.905 5.291 619 HD23 LEU 708 HD23 LEU 708 -5.341 -1.984 6.253 620 H ALA 709 HN ALA 709 -4.994 0.248 2.282 621 HA ALA 709 HA ALA 709 -2.890 0.554 0.478 622 HB1 ALA 709 HB1 ALA 709 -5.382 2.234 0.710 623 HB2 ALA 709 HB2 ALA 709 -5.233 0.716 -0.178 624 HB3 ALA 709 HB3 ALA 709 -4.324 2.135 -0.698 625 H ASN 710 HN ASN 710 -4.342 3.039 2.587 626 HA ASN 710 HA ASN 710 -2.572 5.102 2.072 627 HB2 ASN 710 HB2 ASN 710 -4.580 5.473 3.379 628 HB3 ASN 710 HB1 ASN 710 -3.998 4.409 4.650 629 HD21 ASN 710 HD21 ASN 710 -3.679 7.560 3.185 630 HD22 ASN 710 HD22 ASN 710 -2.742 8.269 4.453 631 H GLN 711 HN GLN 711 -2.345 2.615 4.616 632 HA GLN 711 HA GLN 711 0.078 3.359 5.727 633 HB2 GLN 711 HB2 GLN 711 -1.249 1.653 6.759 634 HB3 GLN 711 HB1 GLN 711 -1.143 0.628 5.335 635 HG2 GLN 711 HG2 GLN 711 1.281 0.400 5.719 636 HG3 GLN 711 HG1 GLN 711 1.114 1.355 7.191 637 HE21 GLN 711 HE21 GLN 711 -1.337 -0.925 6.191 638 HE22 GLN 711 HE22 GLN 711 -1.042 -2.085 7.438 639 H TYR 712 HN TYR 712 -0.399 0.904 3.177 640 HA TYR 712 HA TYR 712 2.337 0.510 2.771 641 HB2 TYR 712 HB2 TYR 712 0.031 -0.090 0.929 642 HB3 TYR 712 HB1 TYR 712 1.694 -0.614 0.631 643 HD1 TYR 712 HD1 TYR 712 2.452 -1.281 3.482 644 HD2 TYR 712 HD2 TYR 712 -1.030 -2.163 1.217 645 HE1 TYR 712 HE1 TYR 712 2.060 -3.267 4.873 646 HE2 TYR 712 HE2 TYR 712 -1.433 -4.154 2.597 647 HH TYR 712 HH TYR 712 -0.230 -5.672 4.042 648 H TYR 713 HN TYR 713 0.215 2.933 1.312 649 HA TYR 713 HA TYR 713 2.114 3.754 -0.656 650 HB2 TYR 713 HB2 TYR 713 -0.239 5.142 0.621 651 HB3 TYR 713 HB1 TYR 713 0.841 6.011 -0.460 652 HD1 TYR 713 HD1 TYR 713 -2.180 4.371 -0.328 653 HD2 TYR 713 HD2 TYR 713 1.325 4.566 -2.728 654 HE1 TYR 713 HE1 TYR 713 -3.464 3.545 -2.254 655 HE2 TYR 713 HE2 TYR 713 0.049 3.736 -4.665 656 HH TYR 713 HH TYR 713 -3.378 3.514 -4.656 657 H GLN 714 HN GLN 714 1.375 4.872 2.630 658 HA GLN 714 HA GLN 714 3.433 6.818 2.773 659 HB2 GLN 714 HB2 GLN 714 1.467 6.730 4.275 660 HB3 GLN 714 HB1 GLN 714 2.097 5.257 4.993 661 HG2 GLN 714 HG2 GLN 714 4.045 6.485 5.804 662 HG3 GLN 714 HG1 GLN 714 3.408 7.964 5.084 663 HE21 GLN 714 HE21 GLN 714 0.648 7.273 5.758 664 HE22 GLN 714 HE22 GLN 714 0.485 7.544 7.457 665 H LYS 715 HN LYS 715 3.387 3.419 2.971 666 HA LYS 715 HA LYS 715 5.851 3.138 4.477 667 HB2 LYS 715 HB2 LYS 715 3.888 1.481 4.525 668 HB3 LYS 715 HB1 LYS 715 4.394 1.000 2.909 669 HG2 LYS 715 HG2 LYS 715 5.307 -0.589 4.368 670 HG3 LYS 715 HG1 LYS 715 6.649 0.459 3.905 671 HD2 LYS 715 HD2 LYS 715 6.586 1.598 6.003 672 HD3 LYS 715 HD1 LYS 715 5.064 0.815 6.447 673 HE2 LYS 715 HE2 LYS 715 6.947 -0.211 7.615 674 HE3 LYS 715 HE1 LYS 715 6.195 -1.354 6.500 675 HZ1 LYS 715 HZ1 LYS 715 8.644 0.223 5.906 676 HZ2 LYS 715 HZ2 LYS 715 7.960 -0.997 4.937 677 HZ3 LYS 715 HZ3 LYS 715 8.636 -1.387 6.433 678 H ALA 716 HN ALA 716 4.662 2.918 1.172 679 HA ALA 716 HA ALA 716 7.051 2.307 -0.139 680 HB1 ALA 716 HB1 ALA 716 4.869 2.345 -1.265 681 HB2 ALA 716 HB2 ALA 716 6.040 3.357 -2.110 682 HB3 ALA 716 HB3 ALA 716 4.811 4.098 -1.088 683 H GLU 717 HN GLU 717 5.657 5.455 0.754 684 HA GLU 717 HA GLU 717 7.796 7.045 -0.099 685 HB2 GLU 717 HB2 GLU 717 5.872 7.447 2.186 686 HB3 GLU 717 HB1 GLU 717 7.017 8.667 1.648 687 HG2 GLU 717 HG2 GLU 717 5.955 8.589 -0.593 688 HG3 GLU 717 HG1 GLU 717 4.737 7.499 0.076 689 H GLU 718 HN GLU 718 7.191 5.476 3.029 690 HA GLU 718 HA GLU 718 9.483 6.252 4.380 691 HB2 GLU 718 HB2 GLU 718 7.704 4.958 5.450 692 HB3 GLU 718 HB1 GLU 718 8.093 3.569 4.446 693 HG2 GLU 718 HG2 GLU 718 10.393 3.621 5.490 694 HG3 GLU 718 HG1 GLU 718 9.736 4.779 6.645 695 H ALA 719 HN ALA 719 9.041 3.438 2.247 696 HA ALA 719 HA ALA 719 11.603 2.401 2.383 697 HB1 ALA 719 HB1 ALA 719 9.740 2.415 0.013 698 HB2 ALA 719 HB2 ALA 719 9.776 1.224 1.313 699 HB3 ALA 719 HB3 ALA 719 11.142 1.362 0.207 700 H TRP 720 HN TRP 720 10.356 4.710 -0.044 701 HA TRP 720 HA TRP 720 12.909 5.003 -1.266 702 HB2 TRP 720 HB2 TRP 720 10.398 6.658 -1.502 703 HB3 TRP 720 HB1 TRP 720 11.855 6.971 -2.441 704 HD1 TRP 720 HD1 TRP 720 12.549 3.854 -3.051 705 HE1 TRP 720 HE1 TRP 720 11.136 2.606 -4.799 706 HE3 TRP 720 HE3 TRP 720 8.382 6.856 -3.067 707 HZ2 TRP 720 HZ2 TRP 720 8.624 2.853 -6.032 708 HZ3 TRP 720 HZ3 TRP 720 6.529 6.271 -4.568 709 HH2 TRP 720 HH2 TRP 720 6.646 4.312 -6.022 710 H ALA 721 HN ALA 721 11.402 6.658 1.407 711 HA ALA 721 HA ALA 721 13.287 8.845 1.371 712 HB1 ALA 721 HB1 ALA 721 11.394 7.994 3.556 713 HB2 ALA 721 HB2 ALA 721 11.016 9.123 2.255 714 HB3 ALA 721 HB3 ALA 721 12.246 9.534 3.448 715 H GLN 722 HN GLN 722 12.987 5.779 2.996 716 HA GLN 722 HA GLN 722 15.135 6.377 4.858 717 HB2 GLN 722 HB2 GLN 722 12.951 5.260 5.502 718 HB3 GLN 722 HB1 GLN 722 13.525 3.838 4.649 719 HG2 GLN 722 HG2 GLN 722 15.361 3.590 6.173 720 HG3 GLN 722 HG1 GLN 722 14.968 5.122 6.955 721 HE21 GLN 722 HE21 GLN 722 12.466 2.942 5.940 722 HE22 GLN 722 HE22 GLN 722 11.994 2.418 7.515 723 H MET 723 HN MET 723 15.402 5.728 1.835 724 HA MET 723 HA MET 723 16.755 3.349 1.414 725 HB2 MET 723 HB2 MET 723 17.395 6.036 0.182 726 HB3 MET 723 HB1 MET 723 17.935 4.485 -0.437 727 HG2 MET 723 HG2 MET 723 15.551 3.860 -0.754 728 HG3 MET 723 HG1 MET 723 15.113 5.503 -0.297 729 HE1 MET 723 HE1 MET 723 16.776 7.599 -3.164 730 HE2 MET 723 HE2 MET 723 17.546 7.153 -1.643 731 HE3 MET 723 HE3 MET 723 15.855 7.655 -1.661 732 H GLU 724 HN GLU 724 18.109 2.700 3.017 733 HA GLU 724 HA GLU 724 20.784 3.546 3.017 734 HB2 GLU 724 HB2 GLU 724 20.910 4.472 5.318 735 HB3 GLU 724 HB1 GLU 724 19.998 5.499 4.226 736 HG2 GLU 724 HG2 GLU 724 17.908 4.505 5.152 737 HG3 GLU 724 HG1 GLU 724 18.905 3.667 6.342 738 H GLU 725 HN GLU 725 21.489 2.789 5.621 739 HA GLU 725 HA GLU 725 21.835 1.032 7.003 740 HB2 GLU 725 HB2 GLU 725 19.324 1.080 7.211 741 HB3 GLU 725 HB1 GLU 725 19.263 -0.147 5.954 742 HG2 GLU 725 HG2 GLU 725 20.552 -1.663 7.358 743 HG3 GLU 725 HG1 GLU 725 20.632 -0.434 8.619 Start of MODEL 18 1 H1 GLY 623 HT1 GLY 623 -18.140 -0.636 15.932 2 H2 GLY 623 HT2 GLY 623 -16.908 -0.390 14.805 3 H3 GLY 623 HT3 GLY 623 -16.698 0.107 16.408 4 HA2 GLY 623 HA1 GLY 623 -15.469 -1.912 16.026 5 HA3 GLY 623 HA2 GLY 623 -16.785 -2.191 17.158 6 H SER 624 HN SER 624 -16.486 -4.446 16.529 7 HA SER 624 HA SER 624 -17.135 -6.339 15.458 8 HB2 SER 624 HB2 SER 624 -19.206 -4.544 14.158 9 HB3 SER 624 HB1 SER 624 -19.271 -6.303 14.270 10 HG SER 624 HG SER 624 -20.513 -5.475 15.916 11 H HIS 625 HN HIS 625 -14.965 -5.114 14.374 12 HA HIS 625 HA HIS 625 -13.631 -4.956 12.550 13 HB2 HIS 625 HB2 HIS 625 -15.799 -6.611 11.236 14 HB3 HIS 625 HB1 HIS 625 -14.251 -6.234 10.490 15 HD1 HIS 625 HD1 HIS 625 -15.857 -8.835 12.277 16 HD2 HIS 625 HD2 HIS 625 -12.026 -7.225 12.311 17 HE1 HIS 625 HE1 HIS 625 -14.390 -10.604 13.291 18 HE2 HIS 625 HE2 HIS 625 -12.058 -9.674 13.151 19 H MET 626 HN MET 626 -13.556 -2.854 12.048 20 HA MET 626 HA MET 626 -15.779 -1.434 10.933 21 HB2 MET 626 HB2 MET 626 -12.876 -0.652 11.251 22 HB3 MET 626 HB1 MET 626 -14.143 0.439 10.709 23 HG2 MET 626 HG2 MET 626 -13.997 -0.922 13.387 24 HG3 MET 626 HG1 MET 626 -13.642 0.771 13.055 25 HE1 MET 626 HE1 MET 626 -15.471 2.537 12.267 26 HE2 MET 626 HE2 MET 626 -17.169 2.137 12.013 27 HE3 MET 626 HE3 MET 626 -15.940 1.479 10.935 28 H SER 627 HN SER 627 -16.036 -3.014 9.169 29 HA SER 627 HA SER 627 -14.108 -2.949 7.019 30 HB2 SER 627 HB2 SER 627 -15.970 -4.368 5.905 31 HB3 SER 627 HB1 SER 627 -15.116 -5.054 7.288 32 HG SER 627 HG SER 627 -16.885 -4.936 8.453 33 HA PRO 628 HA PRO 628 -16.241 0.562 5.159 34 HB2 PRO 628 HB2 PRO 628 -14.191 0.499 3.117 35 HB3 PRO 628 HB1 PRO 628 -14.462 1.713 4.366 36 HG2 PRO 628 HG2 PRO 628 -12.305 0.033 4.309 37 HG3 PRO 628 HG1 PRO 628 -12.952 0.772 5.784 38 HD2 PRO 628 HD2 PRO 628 -13.305 -2.002 4.734 39 HD3 PRO 628 HD1 PRO 628 -13.124 -1.438 6.410 40 H ASP 629 HN ASP 629 -17.892 -1.103 4.587 41 HA ASP 629 HA ASP 629 -17.651 -2.497 2.097 42 HB2 ASP 629 HB2 ASP 629 -19.122 -3.291 3.938 43 HB3 ASP 629 HB1 ASP 629 -20.159 -1.891 3.682 44 H ARG 630 HN ARG 630 -18.487 0.668 3.001 45 HA ARG 630 HA ARG 630 -19.978 1.316 0.625 46 HB2 ARG 630 HB2 ARG 630 -18.687 3.130 2.671 47 HB3 ARG 630 HB1 ARG 630 -19.840 3.624 1.441 48 HG2 ARG 630 HG2 ARG 630 -21.573 2.307 2.480 49 HG3 ARG 630 HG1 ARG 630 -20.423 1.690 3.670 50 HD2 ARG 630 HD2 ARG 630 -21.217 4.577 3.315 51 HD3 ARG 630 HD1 ARG 630 -21.801 3.502 4.581 52 HE ARG 630 HE ARG 630 -18.954 4.272 4.302 53 HH11 ARG 630 HH11 ARG 630 -21.776 3.573 6.267 54 HH12 ARG 630 HH12 ARG 630 -20.990 3.969 7.760 55 HH21 ARG 630 HH21 ARG 630 -17.910 4.773 6.268 56 HH22 ARG 630 HH22 ARG 630 -18.792 4.646 7.765 57 H CYS 631 HN CYS 631 -19.129 1.908 -1.290 58 HA CYS 631 HA CYS 631 -16.266 1.974 -1.601 59 HB2 CYS 631 HB2 CYS 631 -16.885 2.427 -4.037 60 HB3 CYS 631 HB1 CYS 631 -17.403 0.887 -3.360 61 HG CYS 631 HG CYS 631 -19.870 1.154 -3.976 62 H GLN 632 HN GLN 632 -16.506 3.876 0.019 63 HA GLN 632 HA GLN 632 -15.928 6.275 -1.498 64 HB2 GLN 632 HB2 GLN 632 -17.388 7.706 -0.130 65 HB3 GLN 632 HB1 GLN 632 -18.307 6.548 -1.077 66 HG2 GLN 632 HG2 GLN 632 -18.710 5.193 0.841 67 HG3 GLN 632 HG1 GLN 632 -17.605 6.157 1.819 68 HE21 GLN 632 HE21 GLN 632 -19.148 6.664 3.335 69 HE22 GLN 632 HE22 GLN 632 -20.453 7.752 3.015 70 H ASP 633 HN ASP 633 -16.129 4.642 1.610 71 HA ASP 633 HA ASP 633 -14.664 6.446 3.144 72 HB2 ASP 633 HB2 ASP 633 -15.058 3.468 3.431 73 HB3 ASP 633 HB1 ASP 633 -14.254 4.459 4.642 74 H TRP 634 HN TRP 634 -13.548 3.673 1.213 75 HA TRP 634 HA TRP 634 -10.876 3.981 2.185 76 HB2 TRP 634 HB2 TRP 634 -10.239 2.218 0.629 77 HB3 TRP 634 HB1 TRP 634 -11.660 1.760 1.548 78 HD1 TRP 634 HD1 TRP 634 -13.877 1.256 0.198 79 HE1 TRP 634 HE1 TRP 634 -14.360 0.939 -2.314 80 HE3 TRP 634 HE3 TRP 634 -9.524 3.145 -1.717 81 HZ2 TRP 634 HZ2 TRP 634 -13.067 1.433 -4.774 82 HZ3 TRP 634 HZ3 TRP 634 -9.229 3.184 -4.160 83 HH2 TRP 634 HH2 TRP 634 -10.966 2.346 -5.653 84 H LEU 635 HN LEU 635 -12.720 5.343 -0.358 85 HA LEU 635 HA LEU 635 -10.557 6.236 -1.981 86 HB2 LEU 635 HB2 LEU 635 -13.376 7.255 -1.640 87 HB3 LEU 635 HB1 LEU 635 -12.232 7.990 -2.744 88 HG LEU 635 HG LEU 635 -12.057 5.721 -3.871 89 HD11 LEU 635 HD11 LEU 635 -12.985 4.361 -2.096 90 HD12 LEU 635 HD12 LEU 635 -13.954 4.212 -3.563 91 HD13 LEU 635 HD13 LEU 635 -14.523 5.210 -2.228 92 HD21 LEU 635 HD21 LEU 635 -14.707 7.153 -3.894 93 HD22 LEU 635 HD22 LEU 635 -14.114 6.063 -5.146 94 HD23 LEU 635 HD23 LEU 635 -13.280 7.586 -4.835 95 H GLU 636 HN GLU 636 -12.347 7.583 0.732 96 HA GLU 636 HA GLU 636 -11.013 10.061 0.860 97 HB2 GLU 636 HB2 GLU 636 -12.257 8.450 3.092 98 HB3 GLU 636 HB1 GLU 636 -11.842 10.157 3.175 99 HG2 GLU 636 HG2 GLU 636 -13.443 10.535 1.288 100 HG3 GLU 636 HG1 GLU 636 -13.948 8.856 1.475 101 H ALA 637 HN ALA 637 -10.433 6.949 2.416 102 HA ALA 637 HA ALA 637 -8.213 7.640 3.961 103 HB1 ALA 637 HB1 ALA 637 -8.801 4.996 2.643 104 HB2 ALA 637 HB2 ALA 637 -9.441 5.533 4.197 105 HB3 ALA 637 HB3 ALA 637 -7.709 5.260 4.003 106 H LEU 638 HN LEU 638 -8.497 6.657 0.604 107 HA LEU 638 HA LEU 638 -5.766 6.429 -0.011 108 HB2 LEU 638 HB2 LEU 638 -8.070 5.944 -1.324 109 HB3 LEU 638 HB1 LEU 638 -7.643 7.468 -2.067 110 HG LEU 638 HG LEU 638 -6.901 5.597 -3.427 111 HD11 LEU 638 HD11 LEU 638 -4.527 6.181 -3.659 112 HD12 LEU 638 HD12 LEU 638 -4.614 7.074 -2.141 113 HD13 LEU 638 HD13 LEU 638 -5.563 7.602 -3.530 114 HD21 LEU 638 HD21 LEU 638 -6.642 4.002 -1.549 115 HD22 LEU 638 HD22 LEU 638 -5.132 4.807 -1.122 116 HD23 LEU 638 HD23 LEU 638 -5.293 3.998 -2.681 117 H HIS 639 HN HIS 639 -7.879 9.185 0.316 118 HA HIS 639 HA HIS 639 -6.166 11.003 -1.119 119 HB2 HIS 639 HB2 HIS 639 -8.628 11.276 -1.050 120 HB3 HIS 639 HB1 HIS 639 -8.533 11.573 0.680 121 HD1 HIS 639 HD1 HIS 639 -8.045 13.201 -2.623 122 HD2 HIS 639 HD2 HIS 639 -7.479 14.107 1.395 123 HE1 HIS 639 HE1 HIS 639 -7.680 15.683 -2.534 124 HE2 HIS 639 HE2 HIS 639 -7.240 16.198 -0.109 125 H TRP 640 HN TRP 640 -6.689 10.072 2.214 126 HA TRP 640 HA TRP 640 -5.087 12.299 3.180 127 HB2 TRP 640 HB2 TRP 640 -6.666 10.175 4.623 128 HB3 TRP 640 HB1 TRP 640 -5.659 11.353 5.454 129 HD1 TRP 640 HD1 TRP 640 -8.979 11.004 3.644 130 HE1 TRP 640 HE1 TRP 640 -10.348 13.159 3.962 131 HE3 TRP 640 HE3 TRP 640 -5.394 13.940 5.821 132 HZ2 TRP 640 HZ2 TRP 640 -9.965 15.749 4.994 133 HZ3 TRP 640 HZ3 TRP 640 -5.987 16.248 6.439 134 HH2 TRP 640 HH2 TRP 640 -8.224 17.130 6.034 135 H TYR 641 HN TYR 641 -4.168 9.620 1.773 136 HA TYR 641 HA TYR 641 -2.519 8.255 3.572 137 HB2 TYR 641 HB2 TYR 641 -1.555 7.195 1.732 138 HB3 TYR 641 HB1 TYR 641 -3.099 7.710 1.070 139 HD1 TYR 641 HD1 TYR 641 0.499 8.011 0.846 140 HD2 TYR 641 HD2 TYR 641 -3.191 9.702 -0.413 141 HE1 TYR 641 HE1 TYR 641 1.664 9.195 -0.964 142 HE2 TYR 641 HE2 TYR 641 -2.037 10.893 -2.226 143 HH TYR 641 HH TYR 641 0.179 11.675 -2.793 144 H ASN 642 HN ASN 642 -0.320 8.480 4.107 145 HA ASN 642 HA ASN 642 0.509 11.284 4.089 146 HB2 ASN 642 HB2 ASN 642 1.535 9.025 5.821 147 HB3 ASN 642 HB1 ASN 642 1.851 10.742 6.035 148 HD21 ASN 642 HD21 ASN 642 0.184 12.086 6.835 149 HD22 ASN 642 HD22 ASN 642 -1.209 11.418 7.621 150 H THR 643 HN THR 643 2.395 11.958 3.225 151 HA THR 643 HA THR 643 3.774 10.056 1.521 152 HB THR 643 HB THR 643 4.933 12.219 0.717 153 HG1 THR 643 HG1 THR 643 4.420 13.818 2.044 154 HG21 THR 643 HG21 THR 643 1.967 11.809 0.331 155 HG22 THR 643 HG22 THR 643 3.261 11.056 -0.602 156 HG23 THR 643 HG23 THR 643 2.998 12.796 -0.704 157 H ALA 644 HN ALA 644 4.434 9.398 3.981 158 HA ALA 644 HA ALA 644 6.270 8.710 5.120 159 HB1 ALA 644 HB1 ALA 644 8.491 9.083 4.227 160 HB2 ALA 644 HB2 ALA 644 7.853 10.283 3.103 161 HB3 ALA 644 HB3 ALA 644 7.373 8.593 2.955 162 H LEU 645 HN LEU 645 5.719 12.065 4.653 163 HA LEU 645 HA LEU 645 7.675 12.980 6.530 164 HB2 LEU 645 HB2 LEU 645 5.275 14.346 5.323 165 HB3 LEU 645 HB1 LEU 645 6.451 15.149 6.346 166 HG LEU 645 HG LEU 645 7.102 13.848 3.700 167 HD11 LEU 645 HD11 LEU 645 6.675 16.747 4.401 168 HD12 LEU 645 HD12 LEU 645 5.664 15.760 3.345 169 HD13 LEU 645 HD13 LEU 645 7.315 16.154 2.869 170 HD21 LEU 645 HD21 LEU 645 9.212 15.104 3.923 171 HD22 LEU 645 HD22 LEU 645 9.004 13.903 5.196 172 HD23 LEU 645 HD23 LEU 645 8.719 15.610 5.539 173 H GLU 646 HN GLU 646 4.530 11.695 6.747 174 HA GLU 646 HA GLU 646 4.408 12.420 9.593 175 HB2 GLU 646 HB2 GLU 646 2.113 11.776 7.733 176 HB3 GLU 646 HB1 GLU 646 1.971 12.177 9.436 177 HG2 GLU 646 HG2 GLU 646 2.785 14.414 9.013 178 HG3 GLU 646 HG1 GLU 646 3.050 14.018 7.315 179 H MET 647 HN MET 647 3.373 10.738 10.954 180 HA MET 647 HA MET 647 3.642 8.048 9.800 181 HB2 MET 647 HB2 MET 647 4.537 7.223 11.932 182 HB3 MET 647 HB1 MET 647 5.587 8.433 11.214 183 HG2 MET 647 HG2 MET 647 4.659 10.112 12.760 184 HG3 MET 647 HG1 MET 647 3.673 8.853 13.501 185 HE1 MET 647 HE1 MET 647 6.377 6.510 15.077 186 HE2 MET 647 HE2 MET 647 5.697 6.361 13.457 187 HE3 MET 647 HE3 MET 647 4.656 6.790 14.815 188 H THR 648 HN THR 648 1.723 7.153 9.736 189 HA THR 648 HA THR 648 -0.093 7.557 12.014 190 HB THR 648 HB THR 648 -1.986 7.298 10.397 191 HG1 THR 648 HG1 THR 648 -0.537 8.093 8.224 192 HG21 THR 648 HG21 THR 648 -1.859 9.588 9.521 193 HG22 THR 648 HG22 THR 648 -0.141 9.640 9.916 194 HG23 THR 648 HG23 THR 648 -1.340 9.507 11.203 195 H ASP 649 HN ASP 649 -0.233 5.749 13.099 196 HA ASP 649 HA ASP 649 -0.848 3.275 11.634 197 HB2 ASP 649 HB2 ASP 649 0.907 3.524 14.097 198 HB3 ASP 649 HB1 ASP 649 0.328 2.000 13.441 199 H CYS 650 HN CYS 650 -2.850 4.760 12.224 200 HA CYS 650 HA CYS 650 -3.666 4.507 15.009 201 HB2 CYS 650 HB2 CYS 650 -5.072 5.988 12.781 202 HB3 CYS 650 HB1 CYS 650 -5.298 6.194 14.515 203 HG CYS 650 HG CYS 650 -2.585 7.136 14.827 204 H ASP 651 HN ASP 651 -4.124 2.235 14.946 205 HA ASP 651 HA ASP 651 -6.880 1.757 14.292 206 HB2 ASP 651 HB2 ASP 651 -5.776 1.263 12.126 207 HB3 ASP 651 HB1 ASP 651 -4.782 0.054 12.932 208 H GLU 652 HN GLU 652 -7.432 1.049 16.263 209 HA GLU 652 HA GLU 652 -5.750 -0.934 17.607 210 HB2 GLU 652 HB2 GLU 652 -8.209 0.537 18.584 211 HB3 GLU 652 HB1 GLU 652 -7.218 -0.546 19.550 212 HG2 GLU 652 HG2 GLU 652 -6.371 2.087 18.366 213 HG3 GLU 652 HG1 GLU 652 -6.692 1.746 20.066 214 H GLY 653 HN GLY 653 -6.449 -2.371 15.727 215 HA2 GLY 653 HA2 GLY 653 -7.654 -4.186 14.989 216 HA3 GLY 653 HA1 GLY 653 -8.429 -4.211 16.566 217 H GLY 654 HN GLY 654 -8.404 -1.852 13.910 218 HA2 GLY 654 HA2 GLY 654 -11.297 -1.556 14.332 219 HA3 GLY 654 HA1 GLY 654 -10.237 -0.341 13.645 220 H GLU 655 HN GLU 655 -9.468 -0.638 11.490 221 HA GLU 655 HA GLU 655 -11.666 -1.462 9.835 222 HB2 GLU 655 HB2 GLU 655 -9.010 -0.207 9.147 223 HB3 GLU 655 HB1 GLU 655 -10.322 -0.461 8.004 224 HG2 GLU 655 HG2 GLU 655 -11.741 1.043 9.213 225 HG3 GLU 655 HG1 GLU 655 -10.543 1.206 10.496 226 H TYR 656 HN TYR 656 -10.961 -3.751 10.799 227 HA TYR 656 HA TYR 656 -9.214 -5.061 8.838 228 HB2 TYR 656 HB2 TYR 656 -8.735 -5.524 11.214 229 HB3 TYR 656 HB1 TYR 656 -10.367 -6.147 11.421 230 HD1 TYR 656 HD1 TYR 656 -11.018 -8.280 10.361 231 HD2 TYR 656 HD2 TYR 656 -7.010 -6.859 10.173 232 HE1 TYR 656 HE1 TYR 656 -10.254 -10.524 9.713 233 HE2 TYR 656 HE2 TYR 656 -6.242 -9.099 9.518 234 HH TYR 656 HH TYR 656 -8.226 -11.470 8.405 235 H ASP 657 HN ASP 657 -10.077 -6.142 7.223 236 HA ASP 657 HA ASP 657 -12.825 -7.133 7.474 237 HB2 ASP 657 HB2 ASP 657 -13.093 -5.243 6.092 238 HB3 ASP 657 HB1 ASP 657 -11.598 -5.561 5.224 239 H GLY 658 HN GLY 658 -13.200 -9.136 6.676 240 HA2 GLY 658 HA2 GLY 658 -11.041 -10.440 5.167 241 HA3 GLY 658 HA1 GLY 658 -11.729 -11.221 6.582 242 H MET 659 HN MET 659 -13.426 -9.369 4.070 243 HA MET 659 HA MET 659 -15.418 -11.325 3.744 244 HB2 MET 659 HB2 MET 659 -15.981 -10.061 1.606 245 HB3 MET 659 HB1 MET 659 -16.046 -9.161 3.110 246 HG2 MET 659 HG2 MET 659 -15.050 -7.737 1.539 247 HG3 MET 659 HG1 MET 659 -13.745 -8.308 2.573 248 HE1 MET 659 HE1 MET 659 -13.163 -6.854 -0.113 249 HE2 MET 659 HE2 MET 659 -11.948 -7.891 -0.859 250 HE3 MET 659 HE3 MET 659 -11.872 -7.549 0.869 251 H GLN 660 HN GLN 660 -12.300 -11.000 2.321 252 HA GLN 660 HA GLN 660 -12.712 -13.623 1.074 253 HB2 GLN 660 HB2 GLN 660 -11.088 -11.316 -0.018 254 HB3 GLN 660 HB1 GLN 660 -10.947 -12.966 -0.604 255 HG2 GLN 660 HG2 GLN 660 -13.273 -12.930 -1.311 256 HG3 GLN 660 HG1 GLN 660 -13.447 -11.291 -0.687 257 HE21 GLN 660 HE21 GLN 660 -10.589 -12.461 -2.327 258 HE22 GLN 660 HE22 GLN 660 -10.769 -11.486 -3.742 259 H ASP 661 HN ASP 661 -11.149 -15.108 1.538 260 HA ASP 661 HA ASP 661 -9.224 -14.293 3.578 261 HB2 ASP 661 HB2 ASP 661 -10.174 -17.041 2.740 262 HB3 ASP 661 HB1 ASP 661 -8.983 -16.738 4.002 263 H GLU 662 HN GLU 662 -9.105 -14.111 0.512 264 HA GLU 662 HA GLU 662 -6.384 -15.207 0.248 265 HB2 GLU 662 HB2 GLU 662 -7.995 -16.116 -1.389 266 HB3 GLU 662 HB1 GLU 662 -8.374 -14.484 -1.915 267 HG2 GLU 662 HG2 GLU 662 -6.903 -15.448 -3.507 268 HG3 GLU 662 HG1 GLU 662 -6.002 -14.227 -2.611 269 HA PRO 663 HA PRO 663 -5.886 -10.656 0.179 270 HB2 PRO 663 HB2 PRO 663 -3.743 -10.496 1.793 271 HB3 PRO 663 HB1 PRO 663 -5.389 -10.628 2.427 272 HG2 PRO 663 HG2 PRO 663 -3.264 -12.714 2.230 273 HG3 PRO 663 HG1 PRO 663 -4.507 -12.483 3.477 274 HD2 PRO 663 HD2 PRO 663 -4.614 -14.323 1.365 275 HD3 PRO 663 HD1 PRO 663 -5.997 -13.800 2.355 276 H ARG 664 HN ARG 664 -5.056 -10.131 -1.753 277 HA ARG 664 HA ARG 664 -2.599 -11.268 -2.748 278 HB2 ARG 664 HB2 ARG 664 -4.351 -9.013 -3.745 279 HB3 ARG 664 HB1 ARG 664 -2.942 -9.619 -4.605 280 HG2 ARG 664 HG2 ARG 664 -3.953 -11.681 -5.050 281 HG3 ARG 664 HG1 ARG 664 -5.201 -11.430 -3.829 282 HD2 ARG 664 HD2 ARG 664 -6.025 -11.156 -6.150 283 HD3 ARG 664 HD1 ARG 664 -6.234 -9.715 -5.156 284 HE ARG 664 HE ARG 664 -3.873 -9.877 -6.874 285 HH11 ARG 664 HH11 ARG 664 -7.055 -8.579 -6.284 286 HH12 ARG 664 HH12 ARG 664 -6.852 -7.213 -7.343 287 HH21 ARG 664 HH21 ARG 664 -3.576 -8.092 -8.283 288 HH22 ARG 664 HH22 ARG 664 -4.866 -6.948 -8.497 289 H TYR 665 HN TYR 665 -3.682 -8.239 -1.386 290 HA TYR 665 HA TYR 665 -1.387 -6.701 -1.808 291 HB2 TYR 665 HB2 TYR 665 -2.350 -5.259 0.022 292 HB3 TYR 665 HB1 TYR 665 -3.458 -5.619 -1.302 293 HD1 TYR 665 HD1 TYR 665 -5.182 -7.472 -0.935 294 HD2 TYR 665 HD2 TYR 665 -2.941 -5.735 2.231 295 HE1 TYR 665 HE1 TYR 665 -6.833 -8.307 0.682 296 HE2 TYR 665 HE2 TYR 665 -4.584 -6.570 3.858 297 HH TYR 665 HH TYR 665 -6.984 -8.862 3.033 298 H MET 666 HN MET 666 -2.113 -9.085 0.624 299 HA MET 666 HA MET 666 -0.080 -8.216 2.448 300 HB2 MET 666 HB2 MET 666 -1.722 -10.739 2.276 301 HB3 MET 666 HB1 MET 666 -0.454 -10.522 3.481 302 HG2 MET 666 HG2 MET 666 -1.625 -8.540 4.336 303 HG3 MET 666 HG1 MET 666 -2.902 -8.795 3.149 304 HE1 MET 666 HE1 MET 666 -3.547 -8.459 6.185 305 HE2 MET 666 HE2 MET 666 -4.675 -9.780 6.487 306 HE3 MET 666 HE3 MET 666 -4.800 -8.837 5.002 307 H MET 667 HN MET 667 -0.287 -10.581 -0.162 308 HA MET 667 HA MET 667 2.243 -11.773 0.376 309 HB2 MET 667 HB2 MET 667 0.491 -12.859 -1.026 310 HB3 MET 667 HB1 MET 667 0.754 -11.632 -2.257 311 HG2 MET 667 HG2 MET 667 3.134 -12.395 -2.387 312 HG3 MET 667 HG1 MET 667 2.700 -13.729 -1.320 313 HE1 MET 667 HE1 MET 667 2.450 -12.173 -4.859 314 HE2 MET 667 HE2 MET 667 0.773 -12.022 -4.338 315 HE3 MET 667 HE3 MET 667 1.197 -13.140 -5.634 316 H LEU 668 HN LEU 668 1.102 -9.249 -1.813 317 HA LEU 668 HA LEU 668 3.572 -8.653 -3.017 318 HB2 LEU 668 HB2 LEU 668 1.016 -7.142 -2.645 319 HB3 LEU 668 HB1 LEU 668 2.427 -6.297 -3.249 320 HG LEU 668 HG LEU 668 2.535 -7.801 -5.172 321 HD11 LEU 668 HD11 LEU 668 0.039 -9.061 -4.050 322 HD12 LEU 668 HD12 LEU 668 1.625 -9.825 -4.165 323 HD13 LEU 668 HD13 LEU 668 0.746 -9.393 -5.631 324 HD21 LEU 668 HD21 LEU 668 0.517 -7.043 -6.299 325 HD22 LEU 668 HD22 LEU 668 1.216 -5.759 -5.315 326 HD23 LEU 668 HD23 LEU 668 -0.206 -6.631 -4.744 327 H ALA 669 HN ALA 669 2.096 -7.521 -0.003 328 HA ALA 669 HA ALA 669 4.100 -5.495 0.404 329 HB1 ALA 669 HB1 ALA 669 2.042 -6.607 2.308 330 HB2 ALA 669 HB2 ALA 669 1.847 -5.183 1.284 331 HB3 ALA 669 HB3 ALA 669 3.041 -5.180 2.582 332 H ARG 670 HN ARG 670 3.516 -8.809 1.408 333 HA ARG 670 HA ARG 670 5.526 -9.000 3.371 334 HB2 ARG 670 HB2 ARG 670 3.746 -10.690 3.020 335 HB3 ARG 670 HB1 ARG 670 4.502 -11.143 1.500 336 HG2 ARG 670 HG2 ARG 670 6.525 -11.809 2.747 337 HG3 ARG 670 HG1 ARG 670 5.677 -11.452 4.253 338 HD2 ARG 670 HD2 ARG 670 3.957 -13.104 3.646 339 HD3 ARG 670 HD1 ARG 670 4.859 -13.481 2.178 340 HE ARG 670 HE ARG 670 6.496 -13.777 4.479 341 HH11 ARG 670 HH11 ARG 670 3.920 -15.330 2.685 342 HH12 ARG 670 HH12 ARG 670 4.335 -16.925 3.224 343 HH21 ARG 670 HH21 ARG 670 7.041 -15.881 5.200 344 HH22 ARG 670 HH22 ARG 670 6.106 -17.239 4.658 345 H GLU 671 HN GLU 671 5.533 -9.586 -0.127 346 HA GLU 671 HA GLU 671 8.237 -10.333 -0.366 347 HB2 GLU 671 HB2 GLU 671 6.463 -10.589 -2.126 348 HB3 GLU 671 HB1 GLU 671 6.540 -8.855 -2.391 349 HG2 GLU 671 HG2 GLU 671 7.861 -9.726 -4.079 350 HG3 GLU 671 HG1 GLU 671 9.031 -9.237 -2.856 351 H ALA 672 HN ALA 672 6.583 -7.210 -0.665 352 HA ALA 672 HA ALA 672 8.801 -5.602 -1.177 353 HB1 ALA 672 HB1 ALA 672 6.322 -4.848 0.365 354 HB2 ALA 672 HB2 ALA 672 6.457 -4.878 -1.392 355 HB3 ALA 672 HB3 ALA 672 7.430 -3.747 -0.453 356 H GLU 673 HN GLU 673 7.432 -6.693 1.889 357 HA GLU 673 HA GLU 673 9.045 -5.129 3.595 358 HB2 GLU 673 HB2 GLU 673 6.964 -6.274 4.295 359 HB3 GLU 673 HB1 GLU 673 7.775 -7.823 4.121 360 HG2 GLU 673 HG2 GLU 673 9.371 -7.150 5.870 361 HG3 GLU 673 HG1 GLU 673 8.480 -5.642 6.070 362 H MET 674 HN MET 674 9.377 -8.425 2.341 363 HA MET 674 HA MET 674 11.818 -8.977 3.679 364 HB2 MET 674 HB2 MET 674 10.516 -10.218 1.255 365 HB3 MET 674 HB1 MET 674 12.040 -10.795 1.910 366 HG2 MET 674 HG2 MET 674 10.855 -11.140 4.095 367 HG3 MET 674 HG1 MET 674 9.350 -10.789 3.249 368 HE1 MET 674 HE1 MET 674 8.387 -12.220 1.288 369 HE2 MET 674 HE2 MET 674 9.110 -13.708 0.685 370 HE3 MET 674 HE3 MET 674 9.897 -12.161 0.376 371 H LEU 675 HN LEU 675 11.019 -7.335 0.707 372 HA LEU 675 HA LEU 675 13.780 -7.242 -0.155 373 HB2 LEU 675 HB2 LEU 675 11.213 -6.087 -1.207 374 HB3 LEU 675 HB1 LEU 675 12.772 -5.691 -1.909 375 HG LEU 675 HG LEU 675 11.776 -8.527 -1.672 376 HD11 LEU 675 HD11 LEU 675 10.165 -7.345 -2.993 377 HD12 LEU 675 HD12 LEU 675 11.181 -8.311 -4.063 378 HD13 LEU 675 HD13 LEU 675 11.442 -6.571 -3.932 379 HD21 LEU 675 HD21 LEU 675 13.421 -8.934 -3.428 380 HD22 LEU 675 HD22 LEU 675 14.182 -8.240 -1.996 381 HD23 LEU 675 HD23 LEU 675 13.874 -7.228 -3.408 382 H PHE 676 HN PHE 676 11.862 -5.515 2.026 383 HA PHE 676 HA PHE 676 13.292 -3.017 1.626 384 HB2 PHE 676 HB2 PHE 676 10.891 -2.981 2.265 385 HB3 PHE 676 HB1 PHE 676 11.311 -3.742 3.802 386 HD1 PHE 676 HD1 PHE 676 11.645 -2.396 5.622 387 HD2 PHE 676 HD2 PHE 676 12.252 -0.771 1.738 388 HE1 PHE 676 HE1 PHE 676 12.055 -0.187 6.616 389 HE2 PHE 676 HE2 PHE 676 12.666 1.442 2.726 390 HZ PHE 676 HZ PHE 676 12.587 1.748 5.138 391 H THR 677 HN THR 677 12.854 -5.259 4.374 392 HA THR 677 HA THR 677 15.206 -4.029 5.598 393 HB THR 677 HB THR 677 13.124 -4.080 6.920 394 HG1 THR 677 HG1 THR 677 14.264 -4.376 8.688 395 HG21 THR 677 HG21 THR 677 13.464 -7.077 6.802 396 HG22 THR 677 HG22 THR 677 12.128 -6.138 6.133 397 HG23 THR 677 HG23 THR 677 12.357 -6.226 7.879 398 H GLY 678 HN GLY 678 14.480 -6.693 3.760 399 HA2 GLY 678 HA2 GLY 678 16.194 -8.263 3.166 400 HA3 GLY 678 HA1 GLY 678 16.838 -8.113 4.798 401 H GLY 679 HN GLY 679 15.236 -10.140 2.804 402 HA2 GLY 679 HA2 GLY 679 13.795 -11.403 5.048 403 HA3 GLY 679 HA1 GLY 679 13.163 -11.377 3.410 404 H TYR 680 HN TYR 680 13.030 -13.664 3.534 405 HA TYR 680 HA TYR 680 15.372 -15.248 3.973 406 HB2 TYR 680 HB2 TYR 680 12.661 -16.033 2.880 407 HB3 TYR 680 HB1 TYR 680 13.906 -17.149 3.434 408 HD1 TYR 680 HD1 TYR 680 14.345 -17.441 5.807 409 HD2 TYR 680 HD2 TYR 680 11.359 -14.729 4.457 410 HE1 TYR 680 HE1 TYR 680 13.436 -17.318 8.087 411 HE2 TYR 680 HE2 TYR 680 10.442 -14.601 6.734 412 HH TYR 680 HH TYR 680 12.098 -15.737 9.447 413 H GLY 681 HN GLY 681 16.742 -14.261 2.345 414 HA2 GLY 681 HA2 GLY 681 17.944 -14.899 0.419 415 HA3 GLY 681 HA1 GLY 681 16.510 -15.727 -0.177 416 H LEU 682 HN LEU 682 15.654 -12.703 0.930 417 HA LEU 682 HA LEU 682 15.602 -11.687 -1.820 418 HB2 LEU 682 HB2 LEU 682 13.977 -10.956 0.614 419 HB3 LEU 682 HB1 LEU 682 13.952 -10.013 -0.858 420 HG LEU 682 HG LEU 682 12.018 -11.352 -0.908 421 HD11 LEU 682 HD11 LEU 682 13.243 -11.266 -3.027 422 HD12 LEU 682 HD12 LEU 682 12.294 -12.742 -2.852 423 HD13 LEU 682 HD13 LEU 682 14.040 -12.785 -2.612 424 HD21 LEU 682 HD21 LEU 682 13.736 -13.747 -0.291 425 HD22 LEU 682 HD22 LEU 682 11.999 -13.763 -0.599 426 HD23 LEU 682 HD23 LEU 682 12.632 -12.947 0.829 427 H GLU 683 HN GLU 683 16.971 -10.141 -2.378 428 HA GLU 683 HA GLU 683 18.675 -8.842 -0.497 429 HB2 GLU 683 HB2 GLU 683 19.450 -9.288 -2.762 430 HB3 GLU 683 HB1 GLU 683 18.155 -8.306 -3.429 431 HG2 GLU 683 HG2 GLU 683 20.269 -7.125 -3.495 432 HG3 GLU 683 HG1 GLU 683 19.128 -6.314 -2.426 433 H LYS 684 HN LYS 684 18.558 -6.791 0.328 434 HA LYS 684 HA LYS 684 15.886 -5.692 0.328 435 HB2 LYS 684 HB2 LYS 684 16.709 -4.201 2.115 436 HB3 LYS 684 HB1 LYS 684 16.937 -5.904 2.472 437 HG2 LYS 684 HG2 LYS 684 19.294 -5.736 1.947 438 HG3 LYS 684 HG1 LYS 684 19.088 -4.049 1.464 439 HD2 LYS 684 HD2 LYS 684 18.520 -5.134 4.221 440 HD3 LYS 684 HD1 LYS 684 20.012 -4.313 3.749 441 HE2 LYS 684 HE2 LYS 684 17.241 -3.115 3.614 442 HE3 LYS 684 HE1 LYS 684 18.421 -2.805 4.887 443 HZ1 LYS 684 HZ1 LYS 684 19.891 -1.835 3.277 444 HZ2 LYS 684 HZ2 LYS 684 18.391 -1.065 3.183 445 HZ3 LYS 684 HZ3 LYS 684 18.835 -2.203 2.009 446 H ASP 685 HN ASP 685 15.507 -4.705 -1.519 447 HA ASP 685 HA ASP 685 17.259 -2.468 -2.294 448 HB2 ASP 685 HB2 ASP 685 17.108 -4.227 -4.021 449 HB3 ASP 685 HB1 ASP 685 15.350 -4.070 -4.024 450 HA PRO 686 HA PRO 686 13.713 -0.218 -0.517 451 HB2 PRO 686 HB2 PRO 686 15.379 2.014 -1.598 452 HB3 PRO 686 HB1 PRO 686 14.604 1.854 -0.015 453 HG2 PRO 686 HG2 PRO 686 17.219 1.485 -0.266 454 HG3 PRO 686 HG1 PRO 686 16.260 0.433 0.794 455 HD2 PRO 686 HD2 PRO 686 17.384 -0.133 -1.925 456 HD3 PRO 686 HD1 PRO 686 17.218 -1.217 -0.521 457 H GLN 687 HN GLN 687 15.069 0.104 -3.743 458 HA GLN 687 HA GLN 687 13.052 1.838 -4.759 459 HB2 GLN 687 HB2 GLN 687 14.873 -0.044 -6.275 460 HB3 GLN 687 HB1 GLN 687 13.963 1.291 -6.964 461 HG2 GLN 687 HG2 GLN 687 16.175 1.542 -4.938 462 HG3 GLN 687 HG1 GLN 687 16.326 1.834 -6.668 463 HE21 GLN 687 HE21 GLN 687 13.743 3.132 -6.910 464 HE22 GLN 687 HE22 GLN 687 13.902 4.689 -6.171 465 H ARG 688 HN ARG 688 13.643 -1.663 -5.207 466 HA ARG 688 HA ARG 688 11.161 -2.109 -6.526 467 HB2 ARG 688 HB2 ARG 688 13.101 -3.627 -6.779 468 HB3 ARG 688 HB1 ARG 688 12.941 -4.093 -5.092 469 HG2 ARG 688 HG2 ARG 688 10.739 -5.023 -5.544 470 HG3 ARG 688 HG1 ARG 688 10.877 -4.543 -7.232 471 HD2 ARG 688 HD2 ARG 688 12.817 -6.017 -7.487 472 HD3 ARG 688 HD1 ARG 688 12.661 -6.501 -5.797 473 HE ARG 688 HE ARG 688 10.357 -6.909 -7.545 474 HH11 ARG 688 HH11 ARG 688 13.102 -8.317 -5.877 475 HH12 ARG 688 HH12 ARG 688 12.466 -9.932 -5.938 476 HH21 ARG 688 HH21 ARG 688 9.524 -9.030 -7.616 477 HH22 ARG 688 HH22 ARG 688 10.430 -10.335 -6.919 478 H SER 689 HN SER 689 12.239 -2.196 -3.200 479 HA SER 689 HA SER 689 10.107 -3.464 -1.978 480 HB2 SER 689 HB2 SER 689 12.164 -2.695 -0.804 481 HB3 SER 689 HB1 SER 689 11.572 -1.036 -0.924 482 HG SER 689 HG SER 689 10.437 -3.202 0.511 483 H GLY 690 HN GLY 690 10.419 0.038 -2.809 484 HA2 GLY 690 HA2 GLY 690 7.868 0.698 -1.795 485 HA3 GLY 690 HA1 GLY 690 8.854 1.668 -2.891 486 H ASP 691 HN ASP 691 9.040 -0.397 -4.926 487 HA ASP 691 HA ASP 691 6.737 0.264 -6.430 488 HB2 ASP 691 HB2 ASP 691 8.865 -0.348 -7.504 489 HB3 ASP 691 HB1 ASP 691 8.713 -1.992 -6.881 490 H LEU 692 HN LEU 692 7.640 -2.691 -4.680 491 HA LEU 692 HA LEU 692 5.194 -3.999 -5.352 492 HB2 LEU 692 HB2 LEU 692 7.409 -4.583 -3.431 493 HB3 LEU 692 HB1 LEU 692 5.923 -5.516 -3.388 494 HG LEU 692 HG LEU 692 7.523 -5.205 -5.916 495 HD11 LEU 692 HD11 LEU 692 8.996 -6.178 -4.254 496 HD12 LEU 692 HD12 LEU 692 8.490 -7.403 -5.417 497 HD13 LEU 692 HD13 LEU 692 7.756 -7.351 -3.816 498 HD21 LEU 692 HD21 LEU 692 5.459 -7.185 -4.963 499 HD22 LEU 692 HD22 LEU 692 6.330 -7.286 -6.494 500 HD23 LEU 692 HD23 LEU 692 5.233 -5.939 -6.191 501 H TYR 693 HN TYR 693 6.234 -1.950 -2.690 502 HA TYR 693 HA TYR 693 3.941 -2.405 -1.083 503 HB2 TYR 693 HB2 TYR 693 6.068 -0.320 -1.146 504 HB3 TYR 693 HB1 TYR 693 4.558 0.085 -0.325 505 HD1 TYR 693 HD1 TYR 693 3.710 -2.045 1.196 506 HD2 TYR 693 HD2 TYR 693 7.743 -1.048 0.275 507 HE1 TYR 693 HE1 TYR 693 4.457 -3.212 3.225 508 HE2 TYR 693 HE2 TYR 693 8.500 -2.219 2.297 509 HH TYR 693 HH TYR 693 6.411 -4.225 4.160 510 H THR 694 HN THR 694 4.597 -0.163 -3.751 511 HA THR 694 HA THR 694 2.132 1.245 -3.445 512 HB THR 694 HB THR 694 2.561 1.979 -5.852 513 HG1 THR 694 HG1 THR 694 3.921 0.219 -6.458 514 HG21 THR 694 HG21 THR 694 4.741 2.476 -3.826 515 HG22 THR 694 HG22 THR 694 3.195 3.323 -3.897 516 HG23 THR 694 HG23 THR 694 4.355 3.494 -5.212 517 H GLN 695 HN GLN 695 3.196 -1.499 -5.417 518 HA GLN 695 HA GLN 695 0.774 -1.839 -6.834 519 HB2 GLN 695 HB2 GLN 695 3.171 -3.495 -6.264 520 HB3 GLN 695 HB1 GLN 695 1.713 -4.365 -6.697 521 HG2 GLN 695 HG2 GLN 695 3.068 -4.028 -8.646 522 HG3 GLN 695 HG1 GLN 695 1.577 -3.102 -8.787 523 HE21 GLN 695 HE21 GLN 695 4.334 -2.854 -9.996 524 HE22 GLN 695 HE22 GLN 695 4.799 -1.212 -9.707 525 H ALA 696 HN ALA 696 1.975 -3.040 -3.739 526 HA ALA 696 HA ALA 696 -0.225 -4.635 -3.070 527 HB1 ALA 696 HB1 ALA 696 1.922 -4.714 -1.883 528 HB2 ALA 696 HB2 ALA 696 0.564 -4.489 -0.782 529 HB3 ALA 696 HB3 ALA 696 1.595 -3.122 -1.202 530 H ALA 697 HN ALA 697 0.353 -1.125 -2.637 531 HA ALA 697 HA ALA 697 -1.962 -0.651 -1.101 532 HB1 ALA 697 HB1 ALA 697 -0.568 1.254 -2.977 533 HB2 ALA 697 HB2 ALA 697 -0.068 0.936 -1.318 534 HB3 ALA 697 HB3 ALA 697 -1.635 1.677 -1.638 535 H GLU 698 HN GLU 698 -1.339 -0.694 -4.576 536 HA GLU 698 HA GLU 698 -3.857 0.160 -5.447 537 HB2 GLU 698 HB2 GLU 698 -1.607 -1.359 -6.613 538 HB3 GLU 698 HB1 GLU 698 -3.170 -1.655 -7.359 539 HG2 GLU 698 HG2 GLU 698 -1.998 0.071 -8.551 540 HG3 GLU 698 HG1 GLU 698 -3.424 0.745 -7.774 541 H ALA 699 HN ALA 699 -2.659 -3.082 -4.628 542 HA ALA 699 HA ALA 699 -5.112 -4.405 -5.215 543 HB1 ALA 699 HB1 ALA 699 -2.814 -5.295 -3.475 544 HB2 ALA 699 HB2 ALA 699 -2.974 -5.588 -5.206 545 HB3 ALA 699 HB3 ALA 699 -4.113 -6.325 -4.080 546 H ALA 700 HN ALA 700 -3.801 -2.817 -2.406 547 HA ALA 700 HA ALA 700 -5.614 -3.893 -0.494 548 HB1 ALA 700 HB1 ALA 700 -3.484 -2.889 0.159 549 HB2 ALA 700 HB2 ALA 700 -4.839 -2.108 0.970 550 HB3 ALA 700 HB3 ALA 700 -4.053 -1.315 -0.394 551 H MET 701 HN MET 701 -5.526 -0.804 -2.274 552 HA MET 701 HA MET 701 -8.013 0.103 -1.262 553 HB2 MET 701 HB2 MET 701 -7.883 1.854 -2.877 554 HB3 MET 701 HB1 MET 701 -6.243 1.547 -2.323 555 HG2 MET 701 HG2 MET 701 -5.719 0.360 -4.326 556 HG3 MET 701 HG1 MET 701 -7.395 0.431 -4.865 557 HE1 MET 701 HE1 MET 701 -5.638 2.766 -7.437 558 HE2 MET 701 HE2 MET 701 -6.706 1.380 -7.209 559 HE3 MET 701 HE3 MET 701 -5.009 1.274 -6.742 560 H GLU 702 HN GLU 702 -7.092 -1.975 -3.900 561 HA GLU 702 HA GLU 702 -9.618 -1.959 -5.228 562 HB2 GLU 702 HB2 GLU 702 -7.461 -2.627 -6.287 563 HB3 GLU 702 HB1 GLU 702 -7.446 -4.061 -5.274 564 HG2 GLU 702 HG2 GLU 702 -9.480 -4.856 -6.336 565 HG3 GLU 702 HG1 GLU 702 -9.548 -3.394 -7.320 566 H ALA 703 HN ALA 703 -8.241 -3.650 -2.534 567 HA ALA 703 HA ALA 703 -10.472 -5.500 -2.324 568 HB1 ALA 703 HB1 ALA 703 -9.305 -6.376 -0.371 569 HB2 ALA 703 HB2 ALA 703 -8.134 -5.061 -0.465 570 HB3 ALA 703 HB3 ALA 703 -8.212 -6.264 -1.751 571 H MET 704 HN MET 704 -10.461 -2.421 -1.974 572 HA MET 704 HA MET 704 -11.675 -0.877 -0.860 573 HB2 MET 704 HB2 MET 704 -13.144 -3.270 0.272 574 HB3 MET 704 HB1 MET 704 -13.713 -1.605 0.294 575 HG2 MET 704 HG2 MET 704 -13.672 -1.633 -2.197 576 HG3 MET 704 HG1 MET 704 -13.293 -3.352 -2.118 577 HE1 MET 704 HE1 MET 704 -15.927 -0.566 -1.502 578 HE2 MET 704 HE2 MET 704 -15.731 -1.192 0.136 579 HE3 MET 704 HE3 MET 704 -17.248 -1.439 -0.727 580 H LYS 705 HN LYS 705 -9.248 -1.744 0.297 581 HA LYS 705 HA LYS 705 -9.837 -1.351 3.153 582 HB2 LYS 705 HB2 LYS 705 -7.667 -2.987 1.849 583 HB3 LYS 705 HB1 LYS 705 -7.660 -2.563 3.557 584 HG2 LYS 705 HG2 LYS 705 -9.759 -3.717 3.885 585 HG3 LYS 705 HG1 LYS 705 -9.850 -4.080 2.162 586 HD2 LYS 705 HD2 LYS 705 -7.869 -5.451 2.311 587 HD3 LYS 705 HD1 LYS 705 -7.672 -5.025 4.014 588 HE2 LYS 705 HE2 LYS 705 -8.697 -7.218 3.791 589 HE3 LYS 705 HE1 LYS 705 -9.821 -6.076 4.523 590 HZ1 LYS 705 HZ1 LYS 705 -10.602 -5.774 2.080 591 HZ2 LYS 705 HZ2 LYS 705 -11.142 -7.102 2.981 592 HZ3 LYS 705 HZ3 LYS 705 -9.890 -7.295 1.854 593 H GLY 706 HN GLY 706 -9.782 0.889 2.762 594 HA2 GLY 706 HA2 GLY 706 -7.695 2.314 1.590 595 HA3 GLY 706 HA1 GLY 706 -8.819 2.957 2.774 596 H ARG 707 HN ARG 707 -8.073 1.245 4.956 597 HA ARG 707 HA ARG 707 -5.962 2.699 6.076 598 HB2 ARG 707 HB2 ARG 707 -7.615 1.314 7.362 599 HB3 ARG 707 HB1 ARG 707 -6.745 -0.122 6.835 600 HG2 ARG 707 HG2 ARG 707 -4.685 0.942 7.891 601 HG3 ARG 707 HG1 ARG 707 -5.809 2.060 8.664 602 HD2 ARG 707 HD2 ARG 707 -5.461 0.335 10.225 603 HD3 ARG 707 HD1 ARG 707 -7.038 0.012 9.509 604 HE ARG 707 HE ARG 707 -4.814 -1.353 8.261 605 HH11 ARG 707 HH11 ARG 707 -7.339 -1.505 10.678 606 HH12 ARG 707 HH12 ARG 707 -7.305 -3.239 10.781 607 HH21 ARG 707 HH21 ARG 707 -4.746 -3.636 8.420 608 HH22 ARG 707 HH22 ARG 707 -5.809 -4.446 9.525 609 H LEU 708 HN LEU 708 -5.965 -0.540 4.624 610 HA LEU 708 HA LEU 708 -3.236 -1.093 4.979 611 HB2 LEU 708 HB2 LEU 708 -5.353 -2.114 3.124 612 HB3 LEU 708 HB1 LEU 708 -3.686 -2.566 2.848 613 HG LEU 708 HG LEU 708 -4.868 -4.300 4.076 614 HD11 LEU 708 HD11 LEU 708 -3.313 -4.598 5.893 615 HD12 LEU 708 HD12 LEU 708 -2.875 -2.892 5.836 616 HD13 LEU 708 HD13 LEU 708 -2.477 -3.950 4.482 617 HD21 LEU 708 HD21 LEU 708 -5.296 -2.201 6.197 618 HD22 LEU 708 HD22 LEU 708 -5.658 -3.920 6.359 619 HD23 LEU 708 HD23 LEU 708 -6.543 -2.939 5.191 620 H ALA 709 HN ALA 709 -4.997 0.292 2.242 621 HA ALA 709 HA ALA 709 -2.826 0.664 0.525 622 HB1 ALA 709 HB1 ALA 709 -5.142 0.836 -0.206 623 HB2 ALA 709 HB2 ALA 709 -4.234 2.286 -0.637 624 HB3 ALA 709 HB3 ALA 709 -5.338 2.313 0.737 625 H ASN 710 HN ASN 710 -4.170 2.778 3.024 626 HA ASN 710 HA ASN 710 -2.556 5.033 2.534 627 HB2 ASN 710 HB2 ASN 710 -4.629 4.947 3.961 628 HB3 ASN 710 HB1 ASN 710 -3.691 4.120 5.192 629 HD21 ASN 710 HD21 ASN 710 -1.288 5.809 4.728 630 HD22 ASN 710 HD22 ASN 710 -1.678 7.335 5.444 631 H GLN 711 HN GLN 711 -2.196 2.365 4.864 632 HA GLN 711 HA GLN 711 0.267 3.100 5.935 633 HB2 GLN 711 HB2 GLN 711 -0.816 0.312 5.477 634 HB3 GLN 711 HB1 GLN 711 0.507 0.721 6.557 635 HG2 GLN 711 HG2 GLN 711 -0.978 2.011 7.959 636 HG3 GLN 711 HG1 GLN 711 -2.311 1.742 6.837 637 HE21 GLN 711 HE21 GLN 711 -1.401 -1.072 6.394 638 HE22 GLN 711 HE22 GLN 711 -1.919 -1.938 7.798 639 H TYR 712 HN TYR 712 -0.365 0.812 3.281 640 HA TYR 712 HA TYR 712 2.312 0.320 2.666 641 HB2 TYR 712 HB2 TYR 712 -0.114 0.146 0.882 642 HB3 TYR 712 HB1 TYR 712 1.487 -0.460 0.442 643 HD1 TYR 712 HD1 TYR 712 1.756 -1.227 3.644 644 HD2 TYR 712 HD2 TYR 712 -0.825 -2.222 0.422 645 HE1 TYR 712 HE1 TYR 712 1.241 -3.371 4.727 646 HE2 TYR 712 HE2 TYR 712 -1.348 -4.365 1.493 647 HH TYR 712 HH TYR 712 -0.296 -5.907 3.122 648 H TYR 713 HN TYR 713 0.196 2.927 1.471 649 HA TYR 713 HA TYR 713 2.054 3.919 -0.441 650 HB2 TYR 713 HB2 TYR 713 -0.296 5.097 0.999 651 HB3 TYR 713 HB1 TYR 713 0.805 6.170 0.149 652 HD1 TYR 713 HD1 TYR 713 -2.243 4.915 -0.184 653 HD2 TYR 713 HD2 TYR 713 1.447 4.810 -2.293 654 HE1 TYR 713 HE1 TYR 713 -3.457 4.523 -2.278 655 HE2 TYR 713 HE2 TYR 713 0.235 4.409 -4.396 656 HH TYR 713 HH TYR 713 -2.064 3.413 -5.061 657 H GLN 714 HN GLN 714 1.488 4.537 2.963 658 HA GLN 714 HA GLN 714 3.321 6.670 3.270 659 HB2 GLN 714 HB2 GLN 714 1.424 6.042 4.805 660 HB3 GLN 714 HB1 GLN 714 2.398 4.689 5.355 661 HG2 GLN 714 HG2 GLN 714 4.078 6.218 6.203 662 HG3 GLN 714 HG1 GLN 714 3.145 7.591 5.604 663 HE21 GLN 714 HE21 GLN 714 1.754 4.716 7.048 664 HE22 GLN 714 HE22 GLN 714 1.142 5.495 8.466 665 H LYS 715 HN LYS 715 3.642 3.241 3.120 666 HA LYS 715 HA LYS 715 6.238 3.241 4.438 667 HB2 LYS 715 HB2 LYS 715 4.709 1.405 4.971 668 HB3 LYS 715 HB1 LYS 715 4.578 0.993 3.263 669 HG2 LYS 715 HG2 LYS 715 6.022 -0.577 4.373 670 HG3 LYS 715 HG1 LYS 715 6.961 0.395 3.240 671 HD2 LYS 715 HD2 LYS 715 7.890 1.700 5.003 672 HD3 LYS 715 HD1 LYS 715 6.775 1.003 6.183 673 HE2 LYS 715 HE2 LYS 715 8.882 -0.547 4.682 674 HE3 LYS 715 HE1 LYS 715 9.077 0.069 6.322 675 HZ1 LYS 715 HZ1 LYS 715 7.112 -1.962 5.402 676 HZ2 LYS 715 HZ2 LYS 715 7.115 -1.281 6.950 677 HZ3 LYS 715 HZ3 LYS 715 8.430 -2.209 6.436 678 H ALA 716 HN ALA 716 4.761 2.855 1.273 679 HA ALA 716 HA ALA 716 7.101 2.218 -0.172 680 HB1 ALA 716 HB1 ALA 716 5.846 2.996 -2.143 681 HB2 ALA 716 HB2 ALA 716 4.616 3.676 -1.079 682 HB3 ALA 716 HB3 ALA 716 4.869 1.934 -1.131 683 H GLU 717 HN GLU 717 5.536 5.250 0.704 684 HA GLU 717 HA GLU 717 7.311 6.917 -0.746 685 HB2 GLU 717 HB2 GLU 717 4.965 7.472 0.155 686 HB3 GLU 717 HB1 GLU 717 5.756 7.732 1.702 687 HG2 GLU 717 HG2 GLU 717 5.498 9.838 0.631 688 HG3 GLU 717 HG1 GLU 717 7.209 9.418 0.601 689 H GLU 718 HN GLU 718 7.123 5.758 2.584 690 HA GLU 718 HA GLU 718 9.325 7.143 3.630 691 HB2 GLU 718 HB2 GLU 718 7.590 5.895 4.936 692 HB3 GLU 718 HB1 GLU 718 8.347 4.397 4.418 693 HG2 GLU 718 HG2 GLU 718 10.415 5.062 5.554 694 HG3 GLU 718 HG1 GLU 718 9.624 6.542 6.095 695 H ALA 719 HN ALA 719 9.075 4.012 2.004 696 HA ALA 719 HA ALA 719 11.699 3.132 2.318 697 HB1 ALA 719 HB1 ALA 719 11.295 1.714 0.372 698 HB2 ALA 719 HB2 ALA 719 9.870 2.668 -0.037 699 HB3 ALA 719 HB3 ALA 719 9.899 1.719 1.449 700 H TRP 720 HN TRP 720 10.273 5.017 -0.353 701 HA TRP 720 HA TRP 720 12.809 5.361 -1.630 702 HB2 TRP 720 HB2 TRP 720 10.169 6.765 -2.079 703 HB3 TRP 720 HB1 TRP 720 11.597 6.993 -3.084 704 HD1 TRP 720 HD1 TRP 720 12.351 3.763 -3.062 705 HE1 TRP 720 HE1 TRP 720 11.001 2.238 -4.641 706 HE3 TRP 720 HE3 TRP 720 8.247 6.755 -3.806 707 HZ2 TRP 720 HZ2 TRP 720 8.549 2.296 -6.015 708 HZ3 TRP 720 HZ3 TRP 720 6.455 5.936 -5.270 709 HH2 TRP 720 HH2 TRP 720 6.602 3.756 -6.352 710 H ALA 721 HN ALA 721 10.999 7.192 0.738 711 HA ALA 721 HA ALA 721 12.449 9.608 0.499 712 HB1 ALA 721 HB1 ALA 721 10.297 9.452 1.667 713 HB2 ALA 721 HB2 ALA 721 11.545 10.182 2.675 714 HB3 ALA 721 HB3 ALA 721 11.066 8.506 2.940 715 H GLN 722 HN GLN 722 13.018 6.649 2.295 716 HA GLN 722 HA GLN 722 15.031 7.710 3.992 717 HB2 GLN 722 HB2 GLN 722 13.800 5.733 4.610 718 HB3 GLN 722 HB1 GLN 722 14.345 4.886 3.172 719 HG2 GLN 722 HG2 GLN 722 16.627 4.932 4.009 720 HG3 GLN 722 HG1 GLN 722 16.084 5.769 5.461 721 HE21 GLN 722 HE21 GLN 722 13.596 4.202 5.572 722 HE22 GLN 722 HE22 GLN 722 14.054 2.643 6.157 723 H MET 723 HN MET 723 15.348 5.413 1.279 724 HA MET 723 HA MET 723 17.304 4.661 0.263 725 HB2 MET 723 HB2 MET 723 17.020 7.541 -0.577 726 HB3 MET 723 HB1 MET 723 18.065 6.383 -1.387 727 HG2 MET 723 HG2 MET 723 16.079 4.985 -1.853 728 HG3 MET 723 HG1 MET 723 15.071 6.246 -1.140 729 HE1 MET 723 HE1 MET 723 16.826 8.835 -2.209 730 HE2 MET 723 HE2 MET 723 15.067 8.782 -2.091 731 HE3 MET 723 HE3 MET 723 15.837 9.252 -3.606 732 H GLU 724 HN GLU 724 18.259 4.883 2.696 733 HA GLU 724 HA GLU 724 20.866 6.166 2.289 734 HB2 GLU 724 HB2 GLU 724 20.896 6.977 4.586 735 HB3 GLU 724 HB1 GLU 724 19.503 7.630 3.735 736 HG2 GLU 724 HG2 GLU 724 18.111 5.864 4.778 737 HG3 GLU 724 HG1 GLU 724 19.512 5.377 5.724 738 H GLU 725 HN GLU 725 19.168 3.461 2.839 739 HA GLU 725 HA GLU 725 21.438 1.994 3.862 740 HB2 GLU 725 HB2 GLU 725 19.952 2.856 5.814 741 HB3 GLU 725 HB1 GLU 725 18.781 1.674 5.255 742 HG2 GLU 725 HG2 GLU 725 21.599 0.981 6.050 743 HG3 GLU 725 HG1 GLU 725 20.230 0.942 7.156 Start of MODEL 19 1 H1 GLY 623 HT1 GLY 623 -22.957 -4.087 10.078 2 H2 GLY 623 HT2 GLY 623 -23.888 -3.859 8.685 3 H3 GLY 623 HT3 GLY 623 -22.794 -2.666 9.175 4 HA2 GLY 623 HA1 GLY 623 -22.076 -5.392 8.258 5 HA3 GLY 623 HA2 GLY 623 -21.932 -3.925 7.299 6 H SER 624 HN SER 624 -20.816 -5.541 10.212 7 HA SER 624 HA SER 624 -19.037 -5.317 11.560 8 HB2 SER 624 HB2 SER 624 -16.829 -5.086 10.477 9 HB3 SER 624 HB1 SER 624 -17.860 -6.243 9.646 10 HG SER 624 HG SER 624 -18.397 -4.348 8.241 11 H HIS 625 HN HIS 625 -17.636 -2.826 9.554 12 HA HIS 625 HA HIS 625 -18.020 -0.930 11.771 13 HB2 HIS 625 HB2 HIS 625 -16.088 -0.810 9.439 14 HB3 HIS 625 HB1 HIS 625 -16.179 0.358 10.751 15 HD1 HIS 625 HD1 HIS 625 -15.434 -0.547 13.156 16 HD2 HIS 625 HD2 HIS 625 -14.532 -3.007 9.930 17 HE1 HIS 625 HE1 HIS 625 -13.711 -2.171 14.002 18 HE2 HIS 625 HE2 HIS 625 -13.074 -3.551 11.994 19 H MET 626 HN MET 626 -18.413 -1.370 8.327 20 HA MET 626 HA MET 626 -20.705 0.266 8.169 21 HB2 MET 626 HB2 MET 626 -19.126 2.117 8.229 22 HB3 MET 626 HB1 MET 626 -18.162 1.375 6.958 23 HG2 MET 626 HG2 MET 626 -19.518 3.221 6.120 24 HG3 MET 626 HG1 MET 626 -19.960 1.689 5.369 25 HE1 MET 626 HE1 MET 626 -22.211 2.771 4.469 26 HE2 MET 626 HE2 MET 626 -21.763 4.307 5.212 27 HE3 MET 626 HE3 MET 626 -23.363 3.624 5.497 28 H SER 627 HN SER 627 -21.888 -0.490 6.535 29 HA SER 627 HA SER 627 -20.932 -2.615 4.907 30 HB2 SER 627 HB2 SER 627 -23.202 -2.371 3.812 31 HB3 SER 627 HB1 SER 627 -23.249 -2.599 5.563 32 HG SER 627 HG SER 627 -23.216 -0.019 4.410 33 HA PRO 628 HA PRO 628 -19.184 -0.429 1.417 34 HB2 PRO 628 HB2 PRO 628 -20.423 -2.705 -0.054 35 HB3 PRO 628 HB1 PRO 628 -18.769 -2.090 -0.127 36 HG2 PRO 628 HG2 PRO 628 -19.306 -4.331 1.176 37 HG3 PRO 628 HG1 PRO 628 -18.145 -3.160 1.829 38 HD2 PRO 628 HD2 PRO 628 -20.958 -3.704 2.669 39 HD3 PRO 628 HD1 PRO 628 -19.543 -3.290 3.656 40 H ASP 629 HN ASP 629 -20.457 1.370 1.168 41 HA ASP 629 HA ASP 629 -22.969 1.004 -0.336 42 HB2 ASP 629 HB2 ASP 629 -23.410 1.828 1.913 43 HB3 ASP 629 HB1 ASP 629 -22.282 3.159 1.671 44 H ARG 630 HN ARG 630 -19.964 2.749 -0.106 45 HA ARG 630 HA ARG 630 -20.630 4.086 -2.645 46 HB2 ARG 630 HB2 ARG 630 -19.029 5.895 -1.929 47 HB3 ARG 630 HB1 ARG 630 -20.509 5.803 -0.984 48 HG2 ARG 630 HG2 ARG 630 -19.303 4.572 0.756 49 HG3 ARG 630 HG1 ARG 630 -17.824 4.713 -0.186 50 HD2 ARG 630 HD2 ARG 630 -18.029 7.179 -0.026 51 HD3 ARG 630 HD1 ARG 630 -19.413 6.950 1.043 52 HE ARG 630 HE ARG 630 -17.288 5.452 2.055 53 HH11 ARG 630 HH11 ARG 630 -18.127 8.814 1.552 54 HH12 ARG 630 HH12 ARG 630 -17.176 9.380 2.888 55 HH21 ARG 630 HH21 ARG 630 -16.026 6.196 3.808 56 HH22 ARG 630 HH22 ARG 630 -15.969 7.894 4.160 57 H CYS 631 HN CYS 631 -17.828 3.106 -0.644 58 HA CYS 631 HA CYS 631 -15.753 2.344 -1.216 59 HB2 CYS 631 HB2 CYS 631 -17.455 0.606 -3.004 60 HB3 CYS 631 HB1 CYS 631 -15.843 0.224 -2.406 61 HG CYS 631 HG CYS 631 -17.928 0.931 0.079 62 H GLN 632 HN GLN 632 -16.201 4.671 -2.726 63 HA GLN 632 HA GLN 632 -14.575 3.986 -5.059 64 HB2 GLN 632 HB2 GLN 632 -15.853 5.497 -6.500 65 HB3 GLN 632 HB1 GLN 632 -16.838 4.170 -5.910 66 HG2 GLN 632 HG2 GLN 632 -17.865 5.625 -4.267 67 HG3 GLN 632 HG1 GLN 632 -16.837 6.960 -4.789 68 HE21 GLN 632 HE21 GLN 632 -18.554 8.251 -5.371 69 HE22 GLN 632 HE22 GLN 632 -19.525 7.935 -6.766 70 H ASP 633 HN ASP 633 -14.565 5.579 -2.307 71 HA ASP 633 HA ASP 633 -13.666 8.170 -3.203 72 HB2 ASP 633 HB2 ASP 633 -14.860 7.839 -1.025 73 HB3 ASP 633 HB1 ASP 633 -13.453 6.965 -0.434 74 H TRP 634 HN TRP 634 -12.290 5.094 -2.556 75 HA TRP 634 HA TRP 634 -9.730 5.888 -1.733 76 HB2 TRP 634 HB2 TRP 634 -9.050 3.550 -2.416 77 HB3 TRP 634 HB1 TRP 634 -10.352 3.662 -1.243 78 HD1 TRP 634 HD1 TRP 634 -12.801 2.922 -2.050 79 HE1 TRP 634 HE1 TRP 634 -13.575 1.390 -3.964 80 HE3 TRP 634 HE3 TRP 634 -8.502 2.849 -4.822 81 HZ2 TRP 634 HZ2 TRP 634 -12.502 0.280 -6.322 82 HZ3 TRP 634 HZ3 TRP 634 -8.459 1.514 -6.889 83 HH2 TRP 634 HH2 TRP 634 -10.419 0.259 -7.623 84 H LEU 635 HN LEU 635 -11.156 5.543 -4.891 85 HA LEU 635 HA LEU 635 -8.905 5.610 -6.526 86 HB2 LEU 635 HB2 LEU 635 -11.599 6.941 -6.871 87 HB3 LEU 635 HB1 LEU 635 -10.367 6.966 -8.111 88 HG LEU 635 HG LEU 635 -11.937 5.299 -8.711 89 HD11 LEU 635 HD11 LEU 635 -9.578 3.878 -7.503 90 HD12 LEU 635 HD12 LEU 635 -9.582 4.716 -9.054 91 HD13 LEU 635 HD13 LEU 635 -10.604 3.299 -8.813 92 HD21 LEU 635 HD21 LEU 635 -11.591 4.110 -5.966 93 HD22 LEU 635 HD22 LEU 635 -12.572 3.444 -7.271 94 HD23 LEU 635 HD23 LEU 635 -13.005 4.992 -6.545 95 H GLU 636 HN GLU 636 -10.708 8.251 -5.051 96 HA GLU 636 HA GLU 636 -8.947 10.286 -5.996 97 HB2 GLU 636 HB2 GLU 636 -11.290 10.766 -5.557 98 HB3 GLU 636 HB1 GLU 636 -11.097 10.301 -3.873 99 HG2 GLU 636 HG2 GLU 636 -9.556 12.178 -3.550 100 HG3 GLU 636 HG1 GLU 636 -9.805 12.657 -5.228 101 H ALA 637 HN ALA 637 -9.511 8.683 -2.893 102 HA ALA 637 HA ALA 637 -7.862 10.150 -1.254 103 HB1 ALA 637 HB1 ALA 637 -8.221 7.168 -1.073 104 HB2 ALA 637 HB2 ALA 637 -9.423 8.346 -0.545 105 HB3 ALA 637 HB3 ALA 637 -7.842 8.284 0.239 106 H LEU 638 HN LEU 638 -6.952 7.257 -3.136 107 HA LEU 638 HA LEU 638 -4.215 7.514 -2.298 108 HB2 LEU 638 HB2 LEU 638 -5.739 5.629 -4.007 109 HB3 LEU 638 HB1 LEU 638 -4.016 5.754 -4.302 110 HG LEU 638 HG LEU 638 -4.587 3.893 -2.787 111 HD11 LEU 638 HD11 LEU 638 -2.903 4.317 -1.132 112 HD12 LEU 638 HD12 LEU 638 -3.045 6.057 -1.363 113 HD13 LEU 638 HD13 LEU 638 -2.397 5.047 -2.655 114 HD21 LEU 638 HD21 LEU 638 -5.536 6.071 -0.928 115 HD22 LEU 638 HD22 LEU 638 -5.321 4.376 -0.495 116 HD23 LEU 638 HD23 LEU 638 -6.533 4.832 -1.688 117 H HIS 639 HN HIS 639 -6.057 9.055 -4.638 118 HA HIS 639 HA HIS 639 -3.970 9.352 -6.593 119 HB2 HIS 639 HB2 HIS 639 -6.320 9.444 -7.283 120 HB3 HIS 639 HB1 HIS 639 -6.569 10.866 -6.277 121 HD1 HIS 639 HD1 HIS 639 -6.275 13.053 -7.414 122 HD2 HIS 639 HD2 HIS 639 -4.356 9.972 -9.442 123 HE1 HIS 639 HE1 HIS 639 -5.361 14.090 -9.515 124 HE2 HIS 639 HE2 HIS 639 -4.298 12.186 -10.774 125 H TRP 640 HN TRP 640 -5.357 11.374 -4.009 126 HA TRP 640 HA TRP 640 -3.380 13.435 -4.570 127 HB2 TRP 640 HB2 TRP 640 -4.480 14.701 -2.725 128 HB3 TRP 640 HB1 TRP 640 -5.562 14.276 -4.040 129 HD1 TRP 640 HD1 TRP 640 -7.724 13.050 -3.423 130 HE1 TRP 640 HE1 TRP 640 -8.725 12.068 -1.269 131 HE3 TRP 640 HE3 TRP 640 -3.646 13.481 -0.357 132 HZ2 TRP 640 HZ2 TRP 640 -7.907 11.552 1.370 133 HZ3 TRP 640 HZ3 TRP 640 -3.852 12.722 1.976 134 HH2 TRP 640 HH2 TRP 640 -5.939 11.778 2.819 135 H TYR 641 HN TYR 641 -3.517 10.642 -2.755 136 HA TYR 641 HA TYR 641 -1.986 11.581 -0.510 137 HB2 TYR 641 HB2 TYR 641 -3.587 9.610 -0.436 138 HB3 TYR 641 HB1 TYR 641 -2.377 8.703 -1.342 139 HD1 TYR 641 HD1 TYR 641 -0.849 7.451 -0.169 140 HD2 TYR 641 HD2 TYR 641 -2.658 10.781 1.755 141 HE1 TYR 641 HE1 TYR 641 0.300 6.858 1.919 142 HE2 TYR 641 HE2 TYR 641 -1.511 10.197 3.852 143 HH TYR 641 HH TYR 641 1.050 8.031 3.989 144 H ASN 642 HN ASN 642 -0.172 12.518 -1.400 145 HA ASN 642 HA ASN 642 1.833 10.573 -2.333 146 HB2 ASN 642 HB2 ASN 642 1.494 13.434 -3.273 147 HB3 ASN 642 HB1 ASN 642 2.856 12.400 -3.684 148 HD21 ASN 642 HD21 ASN 642 2.529 10.652 -5.101 149 HD22 ASN 642 HD22 ASN 642 1.139 10.576 -6.127 150 H THR 643 HN THR 643 1.835 10.718 0.193 151 HA THR 643 HA THR 643 3.934 12.572 0.962 152 HB THR 643 HB THR 643 1.997 13.877 1.479 153 HG1 THR 643 HG1 THR 643 2.335 14.169 3.679 154 HG21 THR 643 HG21 THR 643 0.306 12.136 1.485 155 HG22 THR 643 HG22 THR 643 0.219 13.074 2.976 156 HG23 THR 643 HG23 THR 643 0.963 11.474 2.981 157 H ALA 644 HN ALA 644 5.277 11.778 2.486 158 HA ALA 644 HA ALA 644 4.845 9.054 3.392 159 HB1 ALA 644 HB1 ALA 644 7.045 9.859 2.476 160 HB2 ALA 644 HB2 ALA 644 7.135 9.062 4.045 161 HB3 ALA 644 HB3 ALA 644 7.221 10.821 3.943 162 H LEU 645 HN LEU 645 4.344 12.198 4.552 163 HA LEU 645 HA LEU 645 4.106 11.236 7.299 164 HB2 LEU 645 HB2 LEU 645 5.650 13.690 6.463 165 HB3 LEU 645 HB1 LEU 645 5.251 13.278 8.120 166 HG LEU 645 HG LEU 645 6.939 11.533 6.330 167 HD11 LEU 645 HD11 LEU 645 7.814 13.513 8.426 168 HD12 LEU 645 HD12 LEU 645 8.038 13.683 6.685 169 HD13 LEU 645 HD13 LEU 645 8.860 12.389 7.559 170 HD21 LEU 645 HD21 LEU 645 5.864 10.342 8.151 171 HD22 LEU 645 HD22 LEU 645 6.455 11.537 9.305 172 HD23 LEU 645 HD23 LEU 645 7.594 10.495 8.453 173 H GLU 646 HN GLU 646 1.808 11.396 6.636 174 HA GLU 646 HA GLU 646 0.876 14.014 7.500 175 HB2 GLU 646 HB2 GLU 646 0.741 13.897 4.973 176 HB3 GLU 646 HB1 GLU 646 -0.457 12.624 5.179 177 HG2 GLU 646 HG2 GLU 646 -1.886 14.155 6.422 178 HG3 GLU 646 HG1 GLU 646 -0.685 15.430 6.247 179 H MET 647 HN MET 647 -1.018 13.989 8.638 180 HA MET 647 HA MET 647 -1.672 11.461 9.872 181 HB2 MET 647 HB2 MET 647 -3.015 12.850 11.418 182 HB3 MET 647 HB1 MET 647 -1.355 13.408 11.290 183 HG2 MET 647 HG2 MET 647 -3.687 14.632 9.828 184 HG3 MET 647 HG1 MET 647 -3.032 15.231 11.349 185 HE1 MET 647 HE1 MET 647 -1.972 17.837 8.524 186 HE2 MET 647 HE2 MET 647 -2.952 17.602 9.972 187 HE3 MET 647 HE3 MET 647 -3.409 16.817 8.460 188 H THR 648 HN THR 648 -2.482 11.047 7.448 189 HA THR 648 HA THR 648 -5.051 12.034 6.768 190 HB THR 648 HB THR 648 -4.988 9.985 5.183 191 HG1 THR 648 HG1 THR 648 -3.194 8.811 5.189 192 HG21 THR 648 HG21 THR 648 -2.868 12.128 5.012 193 HG22 THR 648 HG22 THR 648 -4.543 12.291 4.484 194 HG23 THR 648 HG23 THR 648 -3.469 11.158 3.668 195 H ASP 649 HN ASP 649 -7.004 11.365 7.337 196 HA ASP 649 HA ASP 649 -7.206 9.216 9.279 197 HB2 ASP 649 HB2 ASP 649 -8.335 11.425 9.658 198 HB3 ASP 649 HB1 ASP 649 -9.393 11.062 8.296 199 H CYS 650 HN CYS 650 -6.671 7.633 7.599 200 HA CYS 650 HA CYS 650 -9.053 6.847 6.058 201 HB2 CYS 650 HB2 CYS 650 -6.185 5.930 5.694 202 HB3 CYS 650 HB1 CYS 650 -7.553 5.505 4.669 203 HG CYS 650 HG CYS 650 -7.911 8.423 4.159 204 H ASP 651 HN ASP 651 -9.495 6.359 8.512 205 HA ASP 651 HA ASP 651 -8.204 4.087 9.662 206 HB2 ASP 651 HB2 ASP 651 -9.138 5.905 11.025 207 HB3 ASP 651 HB1 ASP 651 -10.755 5.505 10.459 208 H GLU 652 HN GLU 652 -9.191 2.087 10.220 209 HA GLU 652 HA GLU 652 -10.642 0.984 7.987 210 HB2 GLU 652 HB2 GLU 652 -10.215 -1.176 9.104 211 HB3 GLU 652 HB1 GLU 652 -8.749 -0.229 8.891 212 HG2 GLU 652 HG2 GLU 652 -8.956 0.525 11.245 213 HG3 GLU 652 HG1 GLU 652 -10.324 -0.572 11.428 214 H GLY 653 HN GLY 653 -11.782 2.686 10.401 215 HA2 GLY 653 HA2 GLY 653 -13.934 0.945 11.266 216 HA3 GLY 653 HA1 GLY 653 -13.698 2.625 11.722 217 H GLY 654 HN GLY 654 -13.420 2.267 8.405 218 HA2 GLY 654 HA2 GLY 654 -16.123 3.318 8.019 219 HA3 GLY 654 HA1 GLY 654 -14.805 3.409 6.861 220 H GLU 655 HN GLU 655 -15.669 2.440 5.109 221 HA GLU 655 HA GLU 655 -17.359 0.181 5.187 222 HB2 GLU 655 HB2 GLU 655 -15.665 1.254 2.925 223 HB3 GLU 655 HB1 GLU 655 -16.941 0.056 2.752 224 HG2 GLU 655 HG2 GLU 655 -18.593 1.662 3.486 225 HG3 GLU 655 HG1 GLU 655 -17.331 2.863 3.764 226 H TYR 656 HN TYR 656 -16.669 -1.621 6.105 227 HA TYR 656 HA TYR 656 -13.949 -2.565 5.518 228 HB2 TYR 656 HB2 TYR 656 -14.515 -2.126 7.905 229 HB3 TYR 656 HB1 TYR 656 -15.765 -3.359 7.803 230 HD1 TYR 656 HD1 TYR 656 -15.217 -5.692 7.894 231 HD2 TYR 656 HD2 TYR 656 -12.127 -2.768 7.786 232 HE1 TYR 656 HE1 TYR 656 -13.577 -7.412 8.517 233 HE2 TYR 656 HE2 TYR 656 -10.480 -4.484 8.408 234 HH TYR 656 HH TYR 656 -11.194 -7.824 8.366 235 H ASP 657 HN ASP 657 -14.215 -3.733 3.686 236 HA ASP 657 HA ASP 657 -15.279 -6.355 3.954 237 HB2 ASP 657 HB2 ASP 657 -17.317 -4.864 3.456 238 HB3 ASP 657 HB1 ASP 657 -16.635 -4.683 1.842 239 H GLY 658 HN GLY 658 -15.614 -6.716 1.062 240 HA2 GLY 658 HA2 GLY 658 -14.341 -7.155 -0.798 241 HA3 GLY 658 HA1 GLY 658 -13.353 -5.772 -0.350 242 H MET 659 HN MET 659 -13.924 -8.744 1.483 243 HA MET 659 HA MET 659 -11.045 -9.020 1.706 244 HB2 MET 659 HB2 MET 659 -12.595 -9.190 3.701 245 HB3 MET 659 HB1 MET 659 -13.113 -10.743 3.055 246 HG2 MET 659 HG2 MET 659 -11.359 -10.929 4.790 247 HG3 MET 659 HG1 MET 659 -10.894 -11.629 3.239 248 HE1 MET 659 HE1 MET 659 -8.802 -10.939 5.557 249 HE2 MET 659 HE2 MET 659 -7.499 -10.215 4.612 250 HE3 MET 659 HE3 MET 659 -8.341 -11.641 4.005 251 H GLN 660 HN GLN 660 -10.849 -9.549 -0.523 252 HA GLN 660 HA GLN 660 -11.721 -11.821 -1.809 253 HB2 GLN 660 HB2 GLN 660 -9.590 -11.658 -3.093 254 HB3 GLN 660 HB1 GLN 660 -10.421 -10.119 -2.934 255 HG2 GLN 660 HG2 GLN 660 -8.890 -9.654 -0.971 256 HG3 GLN 660 HG1 GLN 660 -7.966 -11.060 -1.490 257 HE21 GLN 660 HE21 GLN 660 -9.557 -8.794 -3.650 258 HE22 GLN 660 HE22 GLN 660 -8.107 -8.135 -4.322 259 H ASP 661 HN ASP 661 -11.112 -13.924 -1.888 260 HA ASP 661 HA ASP 661 -10.393 -15.119 0.544 261 HB2 ASP 661 HB2 ASP 661 -11.818 -16.227 -1.136 262 HB3 ASP 661 HB1 ASP 661 -10.434 -16.369 -2.216 263 H GLU 662 HN GLU 662 -8.530 -14.352 -2.308 264 HA GLU 662 HA GLU 662 -6.105 -15.172 -0.851 265 HB2 GLU 662 HB2 GLU 662 -6.439 -14.904 -3.843 266 HB3 GLU 662 HB1 GLU 662 -4.984 -15.416 -3.003 267 HG2 GLU 662 HG2 GLU 662 -6.275 -17.380 -2.151 268 HG3 GLU 662 HG1 GLU 662 -7.590 -16.898 -3.222 269 HA PRO 663 HA PRO 663 -6.093 -10.610 -1.086 270 HB2 PRO 663 HB2 PRO 663 -4.450 -10.242 1.069 271 HB3 PRO 663 HB1 PRO 663 -6.207 -10.412 1.192 272 HG2 PRO 663 HG2 PRO 663 -4.065 -12.432 1.702 273 HG3 PRO 663 HG1 PRO 663 -5.603 -12.178 2.555 274 HD2 PRO 663 HD2 PRO 663 -5.188 -14.166 0.714 275 HD3 PRO 663 HD1 PRO 663 -6.786 -13.452 1.038 276 H ARG 664 HN ARG 664 -4.850 -9.825 -2.610 277 HA ARG 664 HA ARG 664 -2.265 -10.933 -3.179 278 HB2 ARG 664 HB2 ARG 664 -3.611 -10.318 -5.045 279 HB3 ARG 664 HB1 ARG 664 -3.903 -8.713 -4.394 280 HG2 ARG 664 HG2 ARG 664 -1.699 -8.016 -4.884 281 HG3 ARG 664 HG1 ARG 664 -1.184 -9.665 -5.235 282 HD2 ARG 664 HD2 ARG 664 -1.564 -8.235 -7.248 283 HD3 ARG 664 HD1 ARG 664 -2.487 -9.733 -7.225 284 HE ARG 664 HE ARG 664 -4.290 -8.081 -6.233 285 HH11 ARG 664 HH11 ARG 664 -2.075 -7.570 -8.896 286 HH12 ARG 664 HH12 ARG 664 -3.161 -6.531 -9.767 287 HH21 ARG 664 HH21 ARG 664 -5.734 -6.718 -7.390 288 HH22 ARG 664 HH22 ARG 664 -5.226 -6.043 -8.908 289 H TYR 665 HN TYR 665 -3.493 -8.068 -1.628 290 HA TYR 665 HA TYR 665 -1.148 -6.521 -1.789 291 HB2 TYR 665 HB2 TYR 665 -2.227 -5.229 0.133 292 HB3 TYR 665 HB1 TYR 665 -3.098 -5.301 -1.392 293 HD1 TYR 665 HD1 TYR 665 -4.949 -7.139 -1.562 294 HD2 TYR 665 HD2 TYR 665 -3.329 -5.727 2.107 295 HE1 TYR 665 HE1 TYR 665 -6.964 -7.906 -0.387 296 HE2 TYR 665 HE2 TYR 665 -5.343 -6.498 3.296 297 HH TYR 665 HH TYR 665 -7.563 -8.604 1.991 298 H MET 666 HN MET 666 -2.212 -8.924 0.526 299 HA MET 666 HA MET 666 -0.306 -8.239 2.528 300 HB2 MET 666 HB2 MET 666 -1.966 -10.704 2.028 301 HB3 MET 666 HB1 MET 666 -0.800 -10.620 3.348 302 HG2 MET 666 HG2 MET 666 -1.977 -8.761 4.332 303 HG3 MET 666 HG1 MET 666 -3.091 -8.701 2.967 304 HE1 MET 666 HE1 MET 666 -5.203 -8.797 4.566 305 HE2 MET 666 HE2 MET 666 -4.095 -8.763 5.937 306 HE3 MET 666 HE3 MET 666 -5.378 -9.970 5.870 307 H MET 667 HN MET 667 -0.352 -10.585 -0.117 308 HA MET 667 HA MET 667 2.170 -11.727 0.530 309 HB2 MET 667 HB2 MET 667 0.538 -12.926 -0.851 310 HB3 MET 667 HB1 MET 667 0.665 -11.689 -2.093 311 HG2 MET 667 HG2 MET 667 2.989 -12.289 -2.481 312 HG3 MET 667 HG1 MET 667 2.906 -13.495 -1.199 313 HE1 MET 667 HE1 MET 667 0.115 -12.662 -3.873 314 HE2 MET 667 HE2 MET 667 0.549 -13.785 -5.161 315 HE3 MET 667 HE3 MET 667 1.627 -12.449 -4.754 316 H LEU 668 HN LEU 668 1.095 -9.192 -1.688 317 HA LEU 668 HA LEU 668 3.634 -8.650 -2.806 318 HB2 LEU 668 HB2 LEU 668 1.025 -7.240 -2.683 319 HB3 LEU 668 HB1 LEU 668 2.436 -6.267 -3.053 320 HG LEU 668 HG LEU 668 2.901 -7.566 -5.028 321 HD11 LEU 668 HD11 LEU 668 2.273 -9.777 -4.245 322 HD12 LEU 668 HD12 LEU 668 1.441 -9.398 -5.753 323 HD13 LEU 668 HD13 LEU 668 0.575 -9.302 -4.220 324 HD21 LEU 668 HD21 LEU 668 -0.017 -6.849 -4.819 325 HD22 LEU 668 HD22 LEU 668 0.857 -7.128 -6.324 326 HD23 LEU 668 HD23 LEU 668 1.302 -5.776 -5.285 327 H ALA 669 HN ALA 669 2.075 -7.567 0.177 328 HA ALA 669 HA ALA 669 4.046 -5.523 0.659 329 HB1 ALA 669 HB1 ALA 669 1.769 -5.295 1.531 330 HB2 ALA 669 HB2 ALA 669 2.962 -5.285 2.828 331 HB3 ALA 669 HB3 ALA 669 2.005 -6.735 2.520 332 H ARG 670 HN ARG 670 3.427 -8.847 1.628 333 HA ARG 670 HA ARG 670 5.498 -9.197 3.479 334 HB2 ARG 670 HB2 ARG 670 3.771 -10.880 3.076 335 HB3 ARG 670 HB1 ARG 670 4.354 -11.115 1.437 336 HG2 ARG 670 HG2 ARG 670 6.482 -11.965 2.351 337 HG3 ARG 670 HG1 ARG 670 5.808 -11.816 3.978 338 HD2 ARG 670 HD2 ARG 670 3.988 -13.340 3.337 339 HD3 ARG 670 HD1 ARG 670 4.711 -13.513 1.740 340 HE ARG 670 HE ARG 670 6.689 -14.217 3.505 341 HH11 ARG 670 HH11 ARG 670 3.432 -15.309 2.819 342 HH12 ARG 670 HH12 ARG 670 3.741 -16.943 3.319 343 HH21 ARG 670 HH21 ARG 670 7.097 -16.368 4.158 344 HH22 ARG 670 HH22 ARG 670 5.818 -17.542 4.085 345 H GLU 671 HN GLU 671 5.431 -9.535 -0.051 346 HA GLU 671 HA GLU 671 8.131 -10.244 -0.409 347 HB2 GLU 671 HB2 GLU 671 6.176 -10.343 -2.076 348 HB3 GLU 671 HB1 GLU 671 6.478 -8.635 -2.352 349 HG2 GLU 671 HG2 GLU 671 7.604 -9.754 -4.065 350 HG3 GLU 671 HG1 GLU 671 8.855 -9.289 -2.915 351 H ALA 672 HN ALA 672 6.426 -7.131 -0.545 352 HA ALA 672 HA ALA 672 8.600 -5.489 -1.107 353 HB1 ALA 672 HB1 ALA 672 6.241 -4.791 -1.206 354 HB2 ALA 672 HB2 ALA 672 7.246 -3.664 -0.296 355 HB3 ALA 672 HB3 ALA 672 6.188 -4.786 0.556 356 H GLU 673 HN GLU 673 7.398 -6.654 2.021 357 HA GLU 673 HA GLU 673 9.170 -5.087 3.588 358 HB2 GLU 673 HB2 GLU 673 7.109 -6.108 4.504 359 HB3 GLU 673 HB1 GLU 673 7.827 -7.701 4.306 360 HG2 GLU 673 HG2 GLU 673 9.533 -7.191 5.919 361 HG3 GLU 673 HG1 GLU 673 8.971 -5.526 6.043 362 H MET 674 HN MET 674 9.337 -8.349 2.216 363 HA MET 674 HA MET 674 11.862 -8.987 3.369 364 HB2 MET 674 HB2 MET 674 10.481 -10.074 0.909 365 HB3 MET 674 HB1 MET 674 11.998 -10.705 1.531 366 HG2 MET 674 HG2 MET 674 10.766 -11.106 3.710 367 HG3 MET 674 HG1 MET 674 9.286 -10.791 2.804 368 HE1 MET 674 HE1 MET 674 8.528 -12.271 0.670 369 HE2 MET 674 HE2 MET 674 9.471 -13.635 0.068 370 HE3 MET 674 HE3 MET 674 10.111 -11.997 -0.058 371 H LEU 675 HN LEU 675 10.871 -7.182 0.541 372 HA LEU 675 HA LEU 675 13.514 -7.104 -0.593 373 HB2 LEU 675 HB2 LEU 675 10.836 -6.074 -1.275 374 HB3 LEU 675 HB1 LEU 675 12.167 -5.054 -1.780 375 HG LEU 675 HG LEU 675 11.423 -6.561 -3.567 376 HD11 LEU 675 HD11 LEU 675 13.624 -7.516 -4.132 377 HD12 LEU 675 HD12 LEU 675 14.183 -7.117 -2.507 378 HD13 LEU 675 HD13 LEU 675 13.701 -5.832 -3.614 379 HD21 LEU 675 HD21 LEU 675 11.844 -8.965 -3.417 380 HD22 LEU 675 HD22 LEU 675 10.653 -8.435 -2.228 381 HD23 LEU 675 HD23 LEU 675 12.308 -8.778 -1.725 382 H PHE 676 HN PHE 676 11.651 -5.210 1.657 383 HA PHE 676 HA PHE 676 13.361 -2.906 1.453 384 HB2 PHE 676 HB2 PHE 676 10.968 -2.757 2.162 385 HB3 PHE 676 HB1 PHE 676 11.396 -3.592 3.657 386 HD1 PHE 676 HD1 PHE 676 11.403 -2.174 5.448 387 HD2 PHE 676 HD2 PHE 676 12.898 -0.760 1.723 388 HE1 PHE 676 HE1 PHE 676 11.978 -0.027 6.497 389 HE2 PHE 676 HE2 PHE 676 13.472 1.390 2.766 390 HZ PHE 676 HZ PHE 676 13.001 1.778 5.124 391 H THR 677 HN THR 677 12.811 -5.273 4.081 392 HA THR 677 HA THR 677 15.095 -4.225 5.494 393 HB THR 677 HB THR 677 14.506 -5.966 7.198 394 HG1 THR 677 HG1 THR 677 12.090 -6.420 5.833 395 HG21 THR 677 HG21 THR 677 13.569 -3.697 7.312 396 HG22 THR 677 HG22 THR 677 12.422 -4.900 7.901 397 HG23 THR 677 HG23 THR 677 12.224 -4.208 6.293 398 H GLY 678 HN GLY 678 14.353 -7.008 3.529 399 HA2 GLY 678 HA2 GLY 678 16.317 -8.108 2.486 400 HA3 GLY 678 HA1 GLY 678 17.057 -8.064 4.086 401 H GLY 679 HN GLY 679 15.493 -10.029 1.960 402 HA2 GLY 679 HA2 GLY 679 13.884 -11.398 3.982 403 HA3 GLY 679 HA1 GLY 679 13.799 -11.658 2.252 404 H TYR 680 HN TYR 680 16.890 -11.597 3.851 405 HA TYR 680 HA TYR 680 18.558 -13.170 3.869 406 HB2 TYR 680 HB2 TYR 680 16.268 -14.768 5.049 407 HB3 TYR 680 HB1 TYR 680 17.969 -15.211 5.172 408 HD1 TYR 680 HD1 TYR 680 19.317 -14.332 6.875 409 HD2 TYR 680 HD2 TYR 680 15.532 -12.547 6.098 410 HE1 TYR 680 HE1 TYR 680 19.557 -12.953 8.895 411 HE2 TYR 680 HE2 TYR 680 15.763 -11.166 8.119 412 HH TYR 680 HH TYR 680 18.701 -10.841 9.797 413 H GLY 681 HN GLY 681 18.010 -12.988 1.412 414 HA2 GLY 681 HA2 GLY 681 18.481 -14.972 -0.201 415 HA3 GLY 681 HA1 GLY 681 16.864 -15.459 0.317 416 H LEU 682 HN LEU 682 15.971 -12.703 0.601 417 HA LEU 682 HA LEU 682 15.856 -11.854 -2.204 418 HB2 LEU 682 HB2 LEU 682 14.129 -11.096 0.161 419 HB3 LEU 682 HB1 LEU 682 14.014 -10.333 -1.408 420 HG LEU 682 HG LEU 682 12.231 -11.860 -1.299 421 HD11 LEU 682 HD11 LEU 682 14.421 -13.236 -2.837 422 HD12 LEU 682 HD12 LEU 682 13.437 -11.892 -3.418 423 HD13 LEU 682 HD13 LEU 682 12.685 -13.447 -3.065 424 HD21 LEU 682 HD21 LEU 682 14.173 -13.989 -0.419 425 HD22 LEU 682 HD22 LEU 682 12.445 -14.204 -0.704 426 HD23 LEU 682 HD23 LEU 682 12.999 -13.172 0.613 427 H GLU 683 HN GLU 683 17.109 -10.188 -2.773 428 HA GLU 683 HA GLU 683 18.739 -8.930 -0.772 429 HB2 GLU 683 HB2 GLU 683 18.605 -8.740 -3.763 430 HB3 GLU 683 HB1 GLU 683 19.558 -7.591 -2.837 431 HG2 GLU 683 HG2 GLU 683 20.949 -9.391 -3.647 432 HG3 GLU 683 HG1 GLU 683 20.856 -9.430 -1.889 433 H LYS 684 HN LYS 684 18.550 -7.015 0.108 434 HA LYS 684 HA LYS 684 16.064 -5.701 0.013 435 HB2 LYS 684 HB2 LYS 684 17.003 -4.147 1.604 436 HB3 LYS 684 HB1 LYS 684 17.513 -5.777 2.013 437 HG2 LYS 684 HG2 LYS 684 19.649 -5.221 0.706 438 HG3 LYS 684 HG1 LYS 684 19.127 -3.547 0.840 439 HD2 LYS 684 HD2 LYS 684 19.517 -5.414 3.176 440 HD3 LYS 684 HD1 LYS 684 20.721 -4.255 2.613 441 HE2 LYS 684 HE2 LYS 684 19.661 -3.184 4.405 442 HE3 LYS 684 HE1 LYS 684 18.919 -2.474 2.974 443 HZ1 LYS 684 HZ1 LYS 684 17.711 -4.727 4.476 444 HZ2 LYS 684 HZ2 LYS 684 16.976 -3.750 3.301 445 HZ3 LYS 684 HZ3 LYS 684 17.370 -3.103 4.816 446 H ASP 685 HN ASP 685 15.344 -4.038 -1.083 447 HA ASP 685 HA ASP 685 17.116 -2.222 -2.484 448 HB2 ASP 685 HB2 ASP 685 16.872 -4.148 -4.051 449 HB3 ASP 685 HB1 ASP 685 15.123 -3.910 -4.023 450 HA PRO 686 HA PRO 686 13.582 0.011 -0.631 451 HB2 PRO 686 HB2 PRO 686 15.217 2.213 -1.824 452 HB3 PRO 686 HB1 PRO 686 14.449 2.118 -0.231 453 HG2 PRO 686 HG2 PRO 686 17.063 1.745 -0.469 454 HG3 PRO 686 HG1 PRO 686 16.110 0.722 0.624 455 HD2 PRO 686 HD2 PRO 686 17.233 0.078 -2.078 456 HD3 PRO 686 HD1 PRO 686 17.071 -0.964 -0.643 457 H GLN 687 HN GLN 687 14.898 0.379 -3.892 458 HA GLN 687 HA GLN 687 12.761 1.949 -4.910 459 HB2 GLN 687 HB2 GLN 687 14.909 1.899 -6.038 460 HB3 GLN 687 HB1 GLN 687 14.759 0.172 -6.318 461 HG2 GLN 687 HG2 GLN 687 14.314 1.449 -8.337 462 HG3 GLN 687 HG1 GLN 687 12.888 0.554 -7.815 463 HE21 GLN 687 HE21 GLN 687 11.079 1.668 -7.134 464 HE22 GLN 687 HE22 GLN 687 10.905 3.379 -7.332 465 H ARG 688 HN ARG 688 13.517 -1.536 -5.274 466 HA ARG 688 HA ARG 688 11.040 -2.097 -6.561 467 HB2 ARG 688 HB2 ARG 688 13.101 -3.524 -6.753 468 HB3 ARG 688 HB1 ARG 688 12.827 -4.047 -5.096 469 HG2 ARG 688 HG2 ARG 688 10.613 -4.909 -5.780 470 HG3 ARG 688 HG1 ARG 688 11.006 -4.493 -7.446 471 HD2 ARG 688 HD2 ARG 688 12.938 -6.002 -7.355 472 HD3 ARG 688 HD1 ARG 688 12.513 -6.430 -5.696 473 HE ARG 688 HE ARG 688 10.414 -6.848 -7.634 474 HH11 ARG 688 HH11 ARG 688 13.176 -8.279 -6.033 475 HH12 ARG 688 HH12 ARG 688 12.622 -9.906 -6.260 476 HH21 ARG 688 HH21 ARG 688 9.688 -8.976 -7.941 477 HH22 ARG 688 HH22 ARG 688 10.638 -10.306 -7.354 478 H SER 689 HN SER 689 12.178 -2.099 -3.252 479 HA SER 689 HA SER 689 10.078 -3.385 -1.989 480 HB2 SER 689 HB2 SER 689 12.131 -2.600 -0.842 481 HB3 SER 689 HB1 SER 689 11.552 -0.940 -0.996 482 HG SER 689 HG SER 689 10.313 -3.054 0.440 483 H GLY 690 HN GLY 690 10.343 0.122 -2.838 484 HA2 GLY 690 HA2 GLY 690 7.762 0.696 -1.797 485 HA3 GLY 690 HA1 GLY 690 8.756 1.740 -2.814 486 H ASP 691 HN ASP 691 9.036 -0.271 -4.919 487 HA ASP 691 HA ASP 691 6.717 0.335 -6.444 488 HB2 ASP 691 HB2 ASP 691 8.968 -0.215 -7.409 489 HB3 ASP 691 HB1 ASP 691 8.705 -1.897 -6.949 490 H LEU 692 HN LEU 692 7.743 -2.561 -4.675 491 HA LEU 692 HA LEU 692 5.418 -4.074 -5.303 492 HB2 LEU 692 HB2 LEU 692 7.494 -4.336 -3.139 493 HB3 LEU 692 HB1 LEU 692 6.168 -5.469 -3.330 494 HG LEU 692 HG LEU 692 8.133 -4.906 -5.542 495 HD11 LEU 692 HD11 LEU 692 9.282 -6.956 -4.872 496 HD12 LEU 692 HD12 LEU 692 8.246 -7.076 -3.451 497 HD13 LEU 692 HD13 LEU 692 9.372 -5.728 -3.609 498 HD21 LEU 692 HD21 LEU 692 6.193 -7.145 -4.988 499 HD22 LEU 692 HD22 LEU 692 7.336 -7.105 -6.330 500 HD23 LEU 692 HD23 LEU 692 6.043 -5.909 -6.236 501 H TYR 693 HN TYR 693 6.294 -1.879 -2.679 502 HA TYR 693 HA TYR 693 3.994 -2.375 -1.099 503 HB2 TYR 693 HB2 TYR 693 6.047 -0.215 -1.189 504 HB3 TYR 693 HB1 TYR 693 4.528 0.139 -0.366 505 HD1 TYR 693 HD1 TYR 693 3.778 -1.941 1.245 506 HD2 TYR 693 HD2 TYR 693 7.762 -0.918 0.161 507 HE1 TYR 693 HE1 TYR 693 4.615 -3.081 3.259 508 HE2 TYR 693 HE2 TYR 693 8.608 -2.048 2.170 509 HH TYR 693 HH TYR 693 7.824 -2.735 4.367 510 H THR 694 HN THR 694 4.611 -0.174 -3.793 511 HA THR 694 HA THR 694 2.107 1.177 -3.499 512 HB THR 694 HB THR 694 2.565 1.926 -5.914 513 HG1 THR 694 HG1 THR 694 5.214 1.114 -5.429 514 HG21 THR 694 HG21 THR 694 4.613 2.548 -3.781 515 HG22 THR 694 HG22 THR 694 3.027 3.305 -3.933 516 HG23 THR 694 HG23 THR 694 4.239 3.543 -5.189 517 H GLN 695 HN GLN 695 3.262 -1.581 -5.399 518 HA GLN 695 HA GLN 695 0.837 -2.059 -6.776 519 HB2 GLN 695 HB2 GLN 695 3.018 -3.951 -5.875 520 HB3 GLN 695 HB1 GLN 695 1.645 -4.458 -6.845 521 HG2 GLN 695 HG2 GLN 695 2.350 -2.812 -8.577 522 HG3 GLN 695 HG1 GLN 695 3.798 -2.503 -7.616 523 HE21 GLN 695 HE21 GLN 695 2.345 -5.678 -7.858 524 HE22 GLN 695 HE22 GLN 695 3.611 -6.394 -8.790 525 H ALA 696 HN ALA 696 2.080 -3.133 -3.636 526 HA ALA 696 HA ALA 696 -0.094 -4.691 -2.861 527 HB1 ALA 696 HB1 ALA 696 0.698 -4.405 -0.585 528 HB2 ALA 696 HB2 ALA 696 1.706 -3.049 -1.088 529 HB3 ALA 696 HB3 ALA 696 2.055 -4.674 -1.678 530 H ALA 697 HN ALA 697 0.444 -1.161 -2.574 531 HA ALA 697 HA ALA 697 -1.864 -0.674 -1.023 532 HB1 ALA 697 HB1 ALA 697 0.021 0.919 -1.253 533 HB2 ALA 697 HB2 ALA 697 -1.544 1.650 -1.603 534 HB3 ALA 697 HB3 ALA 697 -0.465 1.206 -2.923 535 H GLU 698 HN GLU 698 -1.231 -0.827 -4.489 536 HA GLU 698 HA GLU 698 -3.745 0.040 -5.385 537 HB2 GLU 698 HB2 GLU 698 -1.777 -1.910 -6.577 538 HB3 GLU 698 HB1 GLU 698 -3.259 -1.447 -7.397 539 HG2 GLU 698 HG2 GLU 698 -2.512 0.894 -7.385 540 HG3 GLU 698 HG1 GLU 698 -1.007 0.392 -6.613 541 H ALA 699 HN ALA 699 -2.565 -3.247 -4.677 542 HA ALA 699 HA ALA 699 -5.033 -4.527 -5.170 543 HB1 ALA 699 HB1 ALA 699 -2.899 -5.716 -5.164 544 HB2 ALA 699 HB2 ALA 699 -4.041 -6.446 -4.035 545 HB3 ALA 699 HB3 ALA 699 -2.739 -5.422 -3.432 546 H ALA 700 HN ALA 700 -3.739 -2.879 -2.398 547 HA ALA 700 HA ALA 700 -5.595 -3.920 -0.491 548 HB1 ALA 700 HB1 ALA 700 -4.800 -2.176 0.984 549 HB2 ALA 700 HB2 ALA 700 -4.022 -1.353 -0.367 550 HB3 ALA 700 HB3 ALA 700 -3.440 -2.931 0.157 551 H MET 701 HN MET 701 -5.404 -0.831 -2.268 552 HA MET 701 HA MET 701 -7.881 0.128 -1.277 553 HB2 MET 701 HB2 MET 701 -7.713 1.875 -2.942 554 HB3 MET 701 HB1 MET 701 -6.134 1.608 -2.222 555 HG2 MET 701 HG2 MET 701 -5.404 0.391 -4.168 556 HG3 MET 701 HG1 MET 701 -7.011 0.511 -4.884 557 HE1 MET 701 HE1 MET 701 -5.099 2.905 -7.249 558 HE2 MET 701 HE2 MET 701 -6.083 1.450 -7.091 559 HE3 MET 701 HE3 MET 701 -4.407 1.447 -6.544 560 H GLU 702 HN GLU 702 -6.976 -1.902 -3.961 561 HA GLU 702 HA GLU 702 -9.433 -1.913 -5.350 562 HB2 GLU 702 HB2 GLU 702 -7.457 -2.831 -6.370 563 HB3 GLU 702 HB1 GLU 702 -7.252 -3.982 -5.061 564 HG2 GLU 702 HG2 GLU 702 -9.324 -5.107 -5.751 565 HG3 GLU 702 HG1 GLU 702 -9.470 -3.972 -7.094 566 H ALA 703 HN ALA 703 -8.226 -3.711 -2.593 567 HA ALA 703 HA ALA 703 -10.614 -5.366 -2.447 568 HB1 ALA 703 HB1 ALA 703 -8.439 -6.400 -2.044 569 HB2 ALA 703 HB2 ALA 703 -9.467 -6.502 -0.614 570 HB3 ALA 703 HB3 ALA 703 -8.168 -5.312 -0.683 571 H MET 704 HN MET 704 -10.493 -2.375 -1.896 572 HA MET 704 HA MET 704 -11.593 -0.887 -0.594 573 HB2 MET 704 HB2 MET 704 -12.976 -3.329 0.535 574 HB3 MET 704 HB1 MET 704 -13.532 -1.665 0.681 575 HG2 MET 704 HG2 MET 704 -13.324 -3.301 -1.834 576 HG3 MET 704 HG1 MET 704 -14.793 -2.753 -1.028 577 HE1 MET 704 HE1 MET 704 -13.933 -2.376 -4.165 578 HE2 MET 704 HE2 MET 704 -14.573 -0.758 -4.457 579 HE3 MET 704 HE3 MET 704 -15.514 -1.926 -3.528 580 H LYS 705 HN LYS 705 -9.088 -1.978 0.316 581 HA LYS 705 HA LYS 705 -9.406 -1.817 3.236 582 HB2 LYS 705 HB2 LYS 705 -7.057 -2.803 1.599 583 HB3 LYS 705 HB1 LYS 705 -7.134 -2.766 3.352 584 HG2 LYS 705 HG2 LYS 705 -8.929 -4.391 1.567 585 HG3 LYS 705 HG1 LYS 705 -7.535 -5.002 2.460 586 HD2 LYS 705 HD2 LYS 705 -8.627 -4.290 4.562 587 HD3 LYS 705 HD1 LYS 705 -10.044 -3.804 3.631 588 HE2 LYS 705 HE2 LYS 705 -8.897 -6.588 3.839 589 HE3 LYS 705 HE1 LYS 705 -10.380 -6.007 4.592 590 HZ1 LYS 705 HZ1 LYS 705 -11.360 -5.691 2.436 591 HZ2 LYS 705 HZ2 LYS 705 -10.770 -7.274 2.544 592 HZ3 LYS 705 HZ3 LYS 705 -9.915 -6.115 1.664 593 H GLY 706 HN GLY 706 -9.788 0.506 2.807 594 HA2 GLY 706 HA2 GLY 706 -8.040 2.295 1.671 595 HA3 GLY 706 HA1 GLY 706 -9.095 2.679 3.019 596 H ARG 707 HN ARG 707 -8.031 1.331 5.125 597 HA ARG 707 HA ARG 707 -5.890 2.992 5.845 598 HB2 ARG 707 HB2 ARG 707 -7.416 1.879 7.479 599 HB3 ARG 707 HB1 ARG 707 -6.592 0.357 7.149 600 HG2 ARG 707 HG2 ARG 707 -4.505 1.273 7.961 601 HG3 ARG 707 HG1 ARG 707 -5.266 2.842 8.214 602 HD2 ARG 707 HD2 ARG 707 -6.819 1.718 9.832 603 HD3 ARG 707 HD1 ARG 707 -5.822 0.271 9.678 604 HE ARG 707 HE ARG 707 -4.190 2.485 10.297 605 HH11 ARG 707 HH11 ARG 707 -6.467 0.266 11.784 606 HH12 ARG 707 HH12 ARG 707 -5.894 0.583 13.394 607 HH21 ARG 707 HH21 ARG 707 -3.425 2.866 12.393 608 HH22 ARG 707 HH22 ARG 707 -4.160 2.055 13.740 609 H LEU 708 HN LEU 708 -5.932 -0.350 4.697 610 HA LEU 708 HA LEU 708 -3.197 -0.881 5.094 611 HB2 LEU 708 HB2 LEU 708 -5.265 -2.051 3.256 612 HB3 LEU 708 HB1 LEU 708 -3.597 -2.570 3.175 613 HG LEU 708 HG LEU 708 -4.914 -4.138 4.479 614 HD11 LEU 708 HD11 LEU 708 -2.571 -3.774 5.083 615 HD12 LEU 708 HD12 LEU 708 -3.556 -4.242 6.466 616 HD13 LEU 708 HD13 LEU 708 -3.071 -2.559 6.260 617 HD21 LEU 708 HD21 LEU 708 -5.903 -3.495 6.630 618 HD22 LEU 708 HD22 LEU 708 -6.668 -2.661 5.279 619 HD23 LEU 708 HD23 LEU 708 -5.511 -1.808 6.297 620 H ALA 709 HN ALA 709 -4.993 0.245 2.254 621 HA ALA 709 HA ALA 709 -2.854 0.528 0.497 622 HB1 ALA 709 HB1 ALA 709 -5.341 2.219 0.648 623 HB2 ALA 709 HB2 ALA 709 -5.187 0.680 -0.200 624 HB3 ALA 709 HB3 ALA 709 -4.263 2.081 -0.740 625 H ASN 710 HN ASN 710 -4.302 2.983 2.632 626 HA ASN 710 HA ASN 710 -2.570 5.080 2.170 627 HB2 ASN 710 HB2 ASN 710 -4.564 5.329 3.527 628 HB3 ASN 710 HB1 ASN 710 -3.917 4.240 4.746 629 HD21 ASN 710 HD21 ASN 710 -2.359 4.995 6.181 630 HD22 ASN 710 HD22 ASN 710 -1.991 6.675 6.345 631 H GLN 711 HN GLN 711 -2.250 2.554 4.665 632 HA GLN 711 HA GLN 711 0.201 3.392 5.702 633 HB2 GLN 711 HB2 GLN 711 -1.039 0.649 5.569 634 HB3 GLN 711 HB1 GLN 711 0.432 0.998 6.461 635 HG2 GLN 711 HG2 GLN 711 -0.731 2.483 7.934 636 HG3 GLN 711 HG1 GLN 711 -2.201 2.361 6.968 637 HE21 GLN 711 HE21 GLN 711 -1.796 -0.550 6.554 638 HE22 GLN 711 HE22 GLN 711 -2.257 -1.290 8.048 639 H TYR 712 HN TYR 712 -0.376 0.784 3.333 640 HA TYR 712 HA TYR 712 2.299 0.208 2.862 641 HB2 TYR 712 HB2 TYR 712 -0.061 -0.112 1.007 642 HB3 TYR 712 HB1 TYR 712 1.552 -0.745 0.658 643 HD1 TYR 712 HD1 TYR 712 2.377 -1.761 3.302 644 HD2 TYR 712 HD2 TYR 712 -1.381 -1.992 1.338 645 HE1 TYR 712 HE1 TYR 712 1.845 -3.798 4.568 646 HE2 TYR 712 HE2 TYR 712 -1.923 -4.027 2.597 647 HH TYR 712 HH TYR 712 -0.084 -5.073 5.279 648 H TYR 713 HN TYR 713 0.291 2.733 1.384 649 HA TYR 713 HA TYR 713 2.304 3.412 -0.534 650 HB2 TYR 713 HB2 TYR 713 -0.160 4.043 -0.718 651 HB3 TYR 713 HB1 TYR 713 0.171 5.303 0.469 652 HD1 TYR 713 HD1 TYR 713 1.685 7.170 -0.084 653 HD2 TYR 713 HD2 TYR 713 0.604 4.260 -2.990 654 HE1 TYR 713 HE1 TYR 713 2.514 8.647 -1.861 655 HE2 TYR 713 HE2 TYR 713 1.429 5.732 -4.778 656 HH TYR 713 HH TYR 713 1.820 8.171 -5.116 657 H GLN 714 HN GLN 714 1.422 4.657 2.681 658 HA GLN 714 HA GLN 714 3.395 6.685 2.775 659 HB2 GLN 714 HB2 GLN 714 1.533 6.625 4.362 660 HB3 GLN 714 HB1 GLN 714 2.135 5.114 5.034 661 HG2 GLN 714 HG2 GLN 714 4.123 6.222 5.839 662 HG3 GLN 714 HG1 GLN 714 3.610 7.736 5.095 663 HE21 GLN 714 HE21 GLN 714 3.624 8.834 7.047 664 HE22 GLN 714 HE22 GLN 714 2.423 8.574 8.269 665 H LYS 715 HN LYS 715 3.525 3.282 3.051 666 HA LYS 715 HA LYS 715 6.059 3.251 4.464 667 HB2 LYS 715 HB2 LYS 715 4.452 1.477 4.964 668 HB3 LYS 715 HB1 LYS 715 4.400 1.020 3.265 669 HG2 LYS 715 HG2 LYS 715 5.740 -0.554 4.506 670 HG3 LYS 715 HG1 LYS 715 6.757 0.350 3.382 671 HD2 LYS 715 HD2 LYS 715 7.539 1.769 5.189 672 HD3 LYS 715 HD1 LYS 715 6.457 0.955 6.323 673 HE2 LYS 715 HE2 LYS 715 8.705 -0.369 4.808 674 HE3 LYS 715 HE1 LYS 715 8.797 0.168 6.484 675 HZ1 LYS 715 HZ1 LYS 715 8.325 -2.135 6.493 676 HZ2 LYS 715 HZ2 LYS 715 7.070 -1.976 5.373 677 HZ3 LYS 715 HZ3 LYS 715 6.892 -1.356 6.938 678 H ALA 716 HN ALA 716 4.743 2.759 1.238 679 HA ALA 716 HA ALA 716 7.117 2.159 -0.117 680 HB1 ALA 716 HB1 ALA 716 4.909 2.021 -1.172 681 HB2 ALA 716 HB2 ALA 716 5.984 3.057 -2.109 682 HB3 ALA 716 HB3 ALA 716 4.748 3.772 -1.076 683 H GLU 717 HN GLU 717 5.562 5.272 0.562 684 HA GLU 717 HA GLU 717 7.540 6.918 -0.498 685 HB2 GLU 717 HB2 GLU 717 5.536 7.357 1.705 686 HB3 GLU 717 HB1 GLU 717 6.600 8.627 1.119 687 HG2 GLU 717 HG2 GLU 717 4.691 7.102 -0.630 688 HG3 GLU 717 HG1 GLU 717 4.319 8.649 0.131 689 H GLU 718 HN GLU 718 7.142 5.648 2.807 690 HA GLU 718 HA GLU 718 9.404 6.854 3.928 691 HB2 GLU 718 HB2 GLU 718 7.662 5.668 5.228 692 HB3 GLU 718 HB1 GLU 718 8.247 4.141 4.585 693 HG2 GLU 718 HG2 GLU 718 10.393 4.484 5.686 694 HG3 GLU 718 HG1 GLU 718 9.832 6.037 6.306 695 H ALA 719 HN ALA 719 9.061 3.756 2.230 696 HA ALA 719 HA ALA 719 11.664 2.812 2.512 697 HB1 ALA 719 HB1 ALA 719 11.231 1.450 0.533 698 HB2 ALA 719 HB2 ALA 719 9.831 2.448 0.141 699 HB3 ALA 719 HB3 ALA 719 9.831 1.464 1.604 700 H TRP 720 HN TRP 720 10.297 4.767 -0.140 701 HA TRP 720 HA TRP 720 12.810 5.074 -1.447 702 HB2 TRP 720 HB2 TRP 720 10.223 6.605 -1.741 703 HB3 TRP 720 HB1 TRP 720 11.642 6.895 -2.742 704 HD1 TRP 720 HD1 TRP 720 12.356 3.702 -3.065 705 HE1 TRP 720 HE1 TRP 720 10.943 2.339 -4.728 706 HE3 TRP 720 HE3 TRP 720 8.245 6.743 -3.342 707 HZ2 TRP 720 HZ2 TRP 720 8.436 2.528 -5.997 708 HZ3 TRP 720 HZ3 TRP 720 6.389 6.079 -4.805 709 HH2 TRP 720 HH2 TRP 720 6.481 4.017 -6.108 710 H ALA 721 HN ALA 721 11.119 6.970 0.985 711 HA ALA 721 HA ALA 721 12.747 9.284 0.726 712 HB1 ALA 721 HB1 ALA 721 11.774 10.000 2.830 713 HB2 ALA 721 HB2 ALA 721 11.142 8.378 3.111 714 HB3 ALA 721 HB3 ALA 721 10.530 9.343 1.767 715 H GLN 722 HN GLN 722 12.984 6.345 2.650 716 HA GLN 722 HA GLN 722 15.031 7.317 4.371 717 HB2 GLN 722 HB2 GLN 722 13.650 5.480 5.076 718 HB3 GLN 722 HB1 GLN 722 14.129 4.519 3.685 719 HG2 GLN 722 HG2 GLN 722 16.399 4.394 4.530 720 HG3 GLN 722 HG1 GLN 722 15.954 5.393 5.911 721 HE21 GLN 722 HE21 GLN 722 13.353 4.111 6.238 722 HE22 GLN 722 HE22 GLN 722 13.669 2.553 6.918 723 H MET 723 HN MET 723 15.192 4.919 1.737 724 HA MET 723 HA MET 723 17.037 3.981 0.709 725 HB2 MET 723 HB2 MET 723 17.170 6.920 0.089 726 HB3 MET 723 HB1 MET 723 18.238 5.757 -0.679 727 HG2 MET 723 HG2 MET 723 16.219 4.549 -1.492 728 HG3 MET 723 HG1 MET 723 15.239 5.866 -0.849 729 HE1 MET 723 HE1 MET 723 15.442 8.384 -1.676 730 HE2 MET 723 HE2 MET 723 16.486 8.906 -2.997 731 HE3 MET 723 HE3 MET 723 17.194 8.382 -1.470 732 H GLU 724 HN GLU 724 17.869 3.933 3.264 733 HA GLU 724 HA GLU 724 20.690 4.514 2.951 734 HB2 GLU 724 HB2 GLU 724 20.875 5.641 5.129 735 HB3 GLU 724 HB1 GLU 724 19.904 6.547 3.983 736 HG2 GLU 724 HG2 GLU 724 17.888 5.918 5.077 737 HG3 GLU 724 HG1 GLU 724 18.743 4.776 6.114 738 H GLU 725 HN GLU 725 19.328 2.073 2.972 739 HA GLU 725 HA GLU 725 20.691 0.871 5.255 740 HB2 GLU 725 HB2 GLU 725 18.166 1.072 5.687 741 HB3 GLU 725 HB1 GLU 725 17.972 -0.130 4.415 742 HG2 GLU 725 HG2 GLU 725 19.442 -1.656 5.698 743 HG3 GLU 725 HG1 GLU 725 19.489 -0.466 6.994 Start of MODEL 20 1 H1 GLY 623 HT1 GLY 623 -24.778 -2.106 14.808 2 H2 GLY 623 HT2 GLY 623 -25.108 -3.736 15.111 3 H3 GLY 623 HT3 GLY 623 -25.894 -2.933 13.850 4 HA2 GLY 623 HA1 GLY 623 -22.988 -3.484 13.983 5 HA3 GLY 623 HA2 GLY 623 -24.148 -4.370 13.003 6 H SER 624 HN SER 624 -21.776 -2.714 12.288 7 HA SER 624 HA SER 624 -23.160 -0.833 10.493 8 HB2 SER 624 HB2 SER 624 -20.325 -0.611 11.540 9 HB3 SER 624 HB1 SER 624 -21.175 0.571 10.545 10 HG SER 624 HG SER 624 -22.269 -0.242 13.006 11 H HIS 625 HN HIS 625 -22.939 -1.219 8.369 12 HA HIS 625 HA HIS 625 -20.943 -3.226 7.580 13 HB2 HIS 625 HB2 HIS 625 -22.372 -3.787 5.682 14 HB3 HIS 625 HB1 HIS 625 -23.280 -3.922 7.179 15 HD1 HIS 625 HD1 HIS 625 -25.119 -2.063 7.597 16 HD2 HIS 625 HD2 HIS 625 -23.371 -2.009 3.829 17 HE1 HIS 625 HE1 HIS 625 -26.638 -0.662 6.170 18 HE2 HIS 625 HE2 HIS 625 -25.494 -0.536 3.930 19 H MET 626 HN MET 626 -19.241 -2.466 6.575 20 HA MET 626 HA MET 626 -19.232 0.176 5.443 21 HB2 MET 626 HB2 MET 626 -17.095 -1.962 5.490 22 HB3 MET 626 HB1 MET 626 -16.859 -0.334 4.878 23 HG2 MET 626 HG2 MET 626 -15.957 -0.351 7.040 24 HG3 MET 626 HG1 MET 626 -17.497 0.494 7.168 25 HE1 MET 626 HE1 MET 626 -16.727 -3.815 8.635 26 HE2 MET 626 HE2 MET 626 -15.501 -2.768 7.921 27 HE3 MET 626 HE3 MET 626 -16.803 -3.409 6.921 28 H SER 627 HN SER 627 -20.622 0.145 3.720 29 HA SER 627 HA SER 627 -19.898 -1.581 1.458 30 HB2 SER 627 HB2 SER 627 -22.121 -0.691 0.530 31 HB3 SER 627 HB1 SER 627 -22.225 -1.767 1.923 32 HG SER 627 HG SER 627 -23.375 0.471 1.807 33 HA PRO 628 HA PRO 628 -18.018 1.932 -0.464 34 HB2 PRO 628 HB2 PRO 628 -17.768 1.016 -2.966 35 HB3 PRO 628 HB1 PRO 628 -16.865 0.289 -1.630 36 HG2 PRO 628 HG2 PRO 628 -19.397 -0.648 -2.927 37 HG3 PRO 628 HG1 PRO 628 -17.956 -1.584 -2.492 38 HD2 PRO 628 HD2 PRO 628 -20.198 -1.501 -0.947 39 HD3 PRO 628 HD1 PRO 628 -18.572 -1.741 -0.282 40 H ASP 629 HN ASP 629 -20.635 2.490 -0.030 41 HA ASP 629 HA ASP 629 -22.091 2.842 -2.484 42 HB2 ASP 629 HB2 ASP 629 -23.296 2.307 -0.441 43 HB3 ASP 629 HB1 ASP 629 -22.685 3.766 0.332 44 H ARG 630 HN ARG 630 -20.463 4.994 -0.185 45 HA ARG 630 HA ARG 630 -20.280 6.997 -2.313 46 HB2 ARG 630 HB2 ARG 630 -21.241 7.549 0.504 47 HB3 ARG 630 HB1 ARG 630 -20.785 8.797 -0.645 48 HG2 ARG 630 HG2 ARG 630 -23.014 6.813 -1.054 49 HG3 ARG 630 HG1 ARG 630 -23.220 8.468 -0.476 50 HD2 ARG 630 HD2 ARG 630 -22.397 9.357 -2.543 51 HD3 ARG 630 HD1 ARG 630 -21.946 7.751 -3.112 52 HE ARG 630 HE ARG 630 -24.729 7.937 -2.511 53 HH11 ARG 630 HH11 ARG 630 -22.329 8.704 -4.941 54 HH12 ARG 630 HH12 ARG 630 -23.457 8.640 -6.257 55 HH21 ARG 630 HH21 ARG 630 -26.213 7.842 -4.246 56 HH22 ARG 630 HH22 ARG 630 -25.661 8.149 -5.861 57 H CYS 631 HN CYS 631 -18.286 5.225 -1.450 58 HA CYS 631 HA CYS 631 -16.391 7.137 -0.293 59 HB2 CYS 631 HB2 CYS 631 -15.287 5.196 0.861 60 HB3 CYS 631 HB1 CYS 631 -16.870 5.629 1.496 61 HG CYS 631 HG CYS 631 -15.956 2.721 0.950 62 H GLN 632 HN GLN 632 -16.291 7.297 -2.777 63 HA GLN 632 HA GLN 632 -14.386 5.299 -3.810 64 HB2 GLN 632 HB2 GLN 632 -16.187 7.109 -5.425 65 HB3 GLN 632 HB1 GLN 632 -15.184 5.802 -6.033 66 HG2 GLN 632 HG2 GLN 632 -16.567 4.203 -4.744 67 HG3 GLN 632 HG1 GLN 632 -17.611 5.542 -4.271 68 HE21 GLN 632 HE21 GLN 632 -17.294 6.833 -6.909 69 HE22 GLN 632 HE22 GLN 632 -18.286 5.920 -7.992 70 H ASP 633 HN ASP 633 -14.554 8.354 -2.605 71 HA ASP 633 HA ASP 633 -12.918 9.699 -4.564 72 HB2 ASP 633 HB2 ASP 633 -14.600 10.987 -3.372 73 HB3 ASP 633 HB1 ASP 633 -13.867 10.569 -1.827 74 H TRP 634 HN TRP 634 -12.413 7.981 -1.564 75 HA TRP 634 HA TRP 634 -9.966 9.235 -0.908 76 HB2 TRP 634 HB2 TRP 634 -9.625 7.431 0.716 77 HB3 TRP 634 HB1 TRP 634 -11.237 8.115 0.826 78 HD1 TRP 634 HD1 TRP 634 -13.259 6.489 0.512 79 HE1 TRP 634 HE1 TRP 634 -13.473 3.944 0.223 80 HE3 TRP 634 HE3 TRP 634 -8.361 5.365 -0.440 81 HZ2 TRP 634 HZ2 TRP 634 -11.791 1.752 -0.329 82 HZ3 TRP 634 HZ3 TRP 634 -7.751 3.013 -0.834 83 HH2 TRP 634 HH2 TRP 634 -9.433 1.247 -0.779 84 H LEU 635 HN LEU 635 -10.752 6.686 -3.095 85 HA LEU 635 HA LEU 635 -8.162 5.538 -3.278 86 HB2 LEU 635 HB2 LEU 635 -10.389 5.642 -5.313 87 HB3 LEU 635 HB1 LEU 635 -8.927 4.695 -5.497 88 HG LEU 635 HG LEU 635 -9.692 3.614 -3.232 89 HD11 LEU 635 HD11 LEU 635 -11.548 5.106 -2.803 90 HD12 LEU 635 HD12 LEU 635 -12.136 3.464 -3.066 91 HD13 LEU 635 HD13 LEU 635 -12.285 4.671 -4.345 92 HD21 LEU 635 HD21 LEU 635 -11.002 3.023 -5.880 93 HD22 LEU 635 HD22 LEU 635 -10.921 1.917 -4.508 94 HD23 LEU 635 HD23 LEU 635 -9.441 2.419 -5.327 95 H GLU 636 HN GLU 636 -9.789 8.169 -4.934 96 HA GLU 636 HA GLU 636 -7.594 8.712 -6.694 97 HB2 GLU 636 HB2 GLU 636 -10.057 10.303 -5.983 98 HB3 GLU 636 HB1 GLU 636 -8.901 10.775 -7.225 99 HG2 GLU 636 HG2 GLU 636 -10.584 8.281 -7.199 100 HG3 GLU 636 HG1 GLU 636 -10.822 9.701 -8.214 101 H ALA 637 HN ALA 637 -8.832 10.002 -3.670 102 HA ALA 637 HA ALA 637 -7.075 12.150 -3.348 103 HB1 ALA 637 HB1 ALA 637 -9.055 11.696 -1.926 104 HB2 ALA 637 HB2 ALA 637 -7.591 12.030 -0.998 105 HB3 ALA 637 HB3 ALA 637 -8.164 10.372 -1.172 106 H LEU 638 HN LEU 638 -6.769 8.746 -2.452 107 HA LEU 638 HA LEU 638 -4.227 8.992 -1.237 108 HB2 LEU 638 HB2 LEU 638 -5.931 7.157 -0.921 109 HB3 LEU 638 HB1 LEU 638 -5.435 6.527 -2.477 110 HG LEU 638 HG LEU 638 -3.190 6.104 -1.625 111 HD11 LEU 638 HD11 LEU 638 -2.774 6.337 0.820 112 HD12 LEU 638 HD12 LEU 638 -4.265 7.270 0.938 113 HD13 LEU 638 HD13 LEU 638 -2.920 7.871 -0.030 114 HD21 LEU 638 HD21 LEU 638 -4.870 4.364 -1.413 115 HD22 LEU 638 HD22 LEU 638 -5.380 5.024 0.140 116 HD23 LEU 638 HD23 LEU 638 -3.771 4.329 -0.036 117 H HIS 639 HN HIS 639 -5.224 8.820 -4.518 118 HA HIS 639 HA HIS 639 -2.797 7.837 -5.635 119 HB2 HIS 639 HB2 HIS 639 -4.917 7.817 -6.881 120 HB3 HIS 639 HB1 HIS 639 -4.954 9.573 -6.868 121 HD1 HIS 639 HD1 HIS 639 -4.744 10.052 -9.312 122 HD2 HIS 639 HD2 HIS 639 -1.836 7.407 -7.963 123 HE1 HIS 639 HE1 HIS 639 -3.174 9.726 -11.250 124 HE2 HIS 639 HE2 HIS 639 -1.360 8.217 -10.372 125 H TRP 640 HN TRP 640 -3.946 10.968 -4.608 126 HA TRP 640 HA TRP 640 -1.591 12.321 -5.672 127 HB2 TRP 640 HB2 TRP 640 -4.042 13.322 -4.217 128 HB3 TRP 640 HB1 TRP 640 -2.691 14.362 -4.648 129 HD1 TRP 640 HD1 TRP 640 -5.441 12.230 -6.311 130 HE1 TRP 640 HE1 TRP 640 -5.886 13.174 -8.662 131 HE3 TRP 640 HE3 TRP 640 -1.740 15.762 -6.486 132 HZ2 TRP 640 HZ2 TRP 640 -4.815 15.152 -10.361 133 HZ3 TRP 640 HZ3 TRP 640 -1.524 17.139 -8.516 134 HH2 TRP 640 HH2 TRP 640 -3.030 16.838 -10.410 135 H TYR 641 HN TYR 641 -1.939 10.370 -3.220 136 HA TYR 641 HA TYR 641 -1.139 11.886 -0.950 137 HB2 TYR 641 HB2 TYR 641 -2.272 9.717 -0.720 138 HB3 TYR 641 HB1 TYR 641 -0.907 8.910 -1.482 139 HD1 TYR 641 HD1 TYR 641 -2.065 10.638 1.558 140 HD2 TYR 641 HD2 TYR 641 1.087 8.423 -0.248 141 HE1 TYR 641 HE1 TYR 641 -1.024 10.332 3.761 142 HE2 TYR 641 HE2 TYR 641 2.132 8.110 1.952 143 HH TYR 641 HH TYR 641 2.138 9.237 4.178 144 H ASN 642 HN ASN 642 0.786 12.615 -0.412 145 HA ASN 642 HA ASN 642 3.211 11.221 -1.050 146 HB2 ASN 642 HB2 ASN 642 2.870 12.448 -3.151 147 HB3 ASN 642 HB1 ASN 642 2.724 13.955 -2.256 148 HD21 ASN 642 HD21 ASN 642 5.039 11.400 -1.519 149 HD22 ASN 642 HD22 ASN 642 6.444 12.318 -1.958 150 H THR 643 HN THR 643 3.337 11.199 1.227 151 HA THR 643 HA THR 643 3.720 13.784 2.546 152 HB THR 643 HB THR 643 3.842 12.360 4.634 153 HG1 THR 643 HG1 THR 643 2.612 10.224 4.025 154 HG21 THR 643 HG21 THR 643 1.413 11.999 4.737 155 HG22 THR 643 HG22 THR 643 1.312 12.226 2.992 156 HG23 THR 643 HG23 THR 643 1.809 13.564 4.028 157 H ALA 644 HN ALA 644 5.492 11.325 1.095 158 HA ALA 644 HA ALA 644 7.683 10.876 0.873 159 HB1 ALA 644 HB1 ALA 644 8.043 13.290 0.825 160 HB2 ALA 644 HB2 ALA 644 9.376 12.448 1.617 161 HB3 ALA 644 HB3 ALA 644 8.177 13.308 2.583 162 H LEU 645 HN LEU 645 7.253 11.991 4.258 163 HA LEU 645 HA LEU 645 7.941 9.350 5.205 164 HB2 LEU 645 HB2 LEU 645 10.130 10.473 4.736 165 HB3 LEU 645 HB1 LEU 645 9.705 11.689 5.923 166 HG LEU 645 HG LEU 645 9.605 9.883 7.649 167 HD11 LEU 645 HD11 LEU 645 10.691 7.742 7.136 168 HD12 LEU 645 HD12 LEU 645 10.777 8.206 5.437 169 HD13 LEU 645 HD13 LEU 645 9.209 7.976 6.210 170 HD21 LEU 645 HD21 LEU 645 12.228 10.191 6.199 171 HD22 LEU 645 HD22 LEU 645 12.023 9.662 7.869 172 HD23 LEU 645 HD23 LEU 645 11.571 11.301 7.401 173 H GLU 646 HN GLU 646 5.563 10.484 5.573 174 HA GLU 646 HA GLU 646 5.643 11.207 8.425 175 HB2 GLU 646 HB2 GLU 646 4.955 13.117 6.918 176 HB3 GLU 646 HB1 GLU 646 3.551 12.159 6.467 177 HG2 GLU 646 HG2 GLU 646 2.840 12.116 8.810 178 HG3 GLU 646 HG1 GLU 646 4.221 13.125 9.235 179 H MET 647 HN MET 647 4.208 10.134 9.738 180 HA MET 647 HA MET 647 2.990 7.771 8.598 181 HB2 MET 647 HB2 MET 647 2.554 7.074 10.867 182 HB3 MET 647 HB1 MET 647 4.210 7.645 10.752 183 HG2 MET 647 HG2 MET 647 3.592 9.738 11.802 184 HG3 MET 647 HG1 MET 647 1.901 9.244 11.837 185 HE1 MET 647 HE1 MET 647 1.936 6.295 14.393 186 HE2 MET 647 HE2 MET 647 2.101 6.170 12.643 187 HE3 MET 647 HE3 MET 647 0.948 7.306 13.340 188 H THR 648 HN THR 648 0.892 7.432 8.261 189 HA THR 648 HA THR 648 -1.049 9.393 9.246 190 HB THR 648 HB THR 648 -2.193 9.253 6.997 191 HG1 THR 648 HG1 THR 648 -0.810 7.375 6.365 192 HG21 THR 648 HG21 THR 648 -0.935 11.237 7.657 193 HG22 THR 648 HG22 THR 648 -0.739 10.918 5.933 194 HG23 THR 648 HG23 THR 648 0.553 10.504 7.059 195 H ASP 649 HN ASP 649 -2.206 8.122 10.585 196 HA ASP 649 HA ASP 649 -3.482 5.780 9.356 197 HB2 ASP 649 HB2 ASP 649 -1.687 5.105 11.004 198 HB3 ASP 649 HB1 ASP 649 -2.657 5.865 12.263 199 H CYS 650 HN CYS 650 -5.002 7.560 8.931 200 HA CYS 650 HA CYS 650 -7.058 7.498 10.998 201 HB2 CYS 650 HB2 CYS 650 -6.103 10.025 9.631 202 HB3 CYS 650 HB1 CYS 650 -7.606 9.906 10.539 203 HG CYS 650 HG CYS 650 -5.251 8.795 12.482 204 H ASP 651 HN ASP 651 -7.441 5.795 9.243 205 HA ASP 651 HA ASP 651 -9.045 6.997 7.090 206 HB2 ASP 651 HB2 ASP 651 -7.158 4.651 6.775 207 HB3 ASP 651 HB1 ASP 651 -8.232 5.276 5.529 208 H GLU 652 HN GLU 652 -10.957 6.528 8.142 209 HA GLU 652 HA GLU 652 -11.579 3.858 9.005 210 HB2 GLU 652 HB2 GLU 652 -13.026 6.458 8.883 211 HB3 GLU 652 HB1 GLU 652 -13.998 4.995 8.914 212 HG2 GLU 652 HG2 GLU 652 -13.679 5.928 11.141 213 HG3 GLU 652 HG1 GLU 652 -12.979 4.319 11.000 214 H GLY 653 HN GLY 653 -10.727 3.349 6.628 215 HA2 GLY 653 HA2 GLY 653 -13.136 2.997 4.962 216 HA3 GLY 653 HA1 GLY 653 -11.573 3.407 4.266 217 H GLY 654 HN GLY 654 -13.644 0.930 5.188 218 HA2 GLY 654 HA2 GLY 654 -11.703 -1.069 4.385 219 HA3 GLY 654 HA1 GLY 654 -12.282 -1.205 6.040 220 H GLU 655 HN GLU 655 -13.635 -0.623 2.819 221 HA GLU 655 HA GLU 655 -16.127 -1.835 3.562 222 HB2 GLU 655 HB2 GLU 655 -15.085 -0.727 0.957 223 HB3 GLU 655 HB1 GLU 655 -16.675 -1.454 1.114 224 HG2 GLU 655 HG2 GLU 655 -16.921 0.908 1.238 225 HG3 GLU 655 HG1 GLU 655 -17.223 0.243 2.838 226 H TYR 656 HN TYR 656 -16.678 -3.884 3.348 227 HA TYR 656 HA TYR 656 -14.701 -5.711 2.282 228 HB2 TYR 656 HB2 TYR 656 -16.088 -7.483 3.318 229 HB3 TYR 656 HB1 TYR 656 -15.597 -6.247 4.464 230 HD1 TYR 656 HD1 TYR 656 -17.371 -4.317 4.811 231 HD2 TYR 656 HD2 TYR 656 -18.303 -8.198 3.332 232 HE1 TYR 656 HE1 TYR 656 -19.711 -4.007 5.487 233 HE2 TYR 656 HE2 TYR 656 -20.647 -7.895 4.013 234 HH TYR 656 HH TYR 656 -21.957 -4.927 4.812 235 H ASP 657 HN ASP 657 -15.594 -4.377 0.237 236 HA ASP 657 HA ASP 657 -17.259 -6.314 -1.216 237 HB2 ASP 657 HB2 ASP 657 -18.578 -4.274 -0.773 238 HB3 ASP 657 HB1 ASP 657 -17.325 -3.311 -1.544 239 H GLY 658 HN GLY 658 -15.779 -7.317 -2.437 240 HA2 GLY 658 HA2 GLY 658 -14.429 -7.216 -4.455 241 HA3 GLY 658 HA1 GLY 658 -13.850 -5.642 -3.921 242 H MET 659 HN MET 659 -14.141 -7.739 -1.355 243 HA MET 659 HA MET 659 -11.274 -8.047 -1.149 244 HB2 MET 659 HB2 MET 659 -12.373 -7.313 0.840 245 HB3 MET 659 HB1 MET 659 -13.561 -8.602 0.738 246 HG2 MET 659 HG2 MET 659 -11.933 -9.036 2.488 247 HG3 MET 659 HG1 MET 659 -11.845 -10.252 1.216 248 HE1 MET 659 HE1 MET 659 -9.505 -11.128 1.979 249 HE2 MET 659 HE2 MET 659 -9.593 -10.016 3.346 250 HE3 MET 659 HE3 MET 659 -8.139 -10.077 2.349 251 H GLN 660 HN GLN 660 -10.626 -9.626 -2.504 252 HA GLN 660 HA GLN 660 -11.854 -12.198 -2.634 253 HB2 GLN 660 HB2 GLN 660 -9.712 -12.845 -3.780 254 HB3 GLN 660 HB1 GLN 660 -10.553 -11.489 -4.514 255 HG2 GLN 660 HG2 GLN 660 -9.013 -9.947 -3.371 256 HG3 GLN 660 HG1 GLN 660 -8.147 -11.336 -2.713 257 HE21 GLN 660 HE21 GLN 660 -7.308 -9.166 -4.543 258 HE22 GLN 660 HE22 GLN 660 -6.683 -9.967 -5.939 259 H ASP 661 HN ASP 661 -11.254 -14.090 -1.608 260 HA ASP 661 HA ASP 661 -10.504 -13.670 1.097 261 HB2 ASP 661 HB2 ASP 661 -12.170 -15.369 0.390 262 HB3 ASP 661 HB1 ASP 661 -10.869 -16.308 -0.338 263 H GLU 662 HN GLU 662 -8.763 -14.661 -1.722 264 HA GLU 662 HA GLU 662 -6.358 -15.114 -0.107 265 HB2 GLU 662 HB2 GLU 662 -6.918 -15.484 -3.052 266 HB3 GLU 662 HB1 GLU 662 -5.296 -15.552 -2.389 267 HG2 GLU 662 HG2 GLU 662 -6.039 -17.773 -2.638 268 HG3 GLU 662 HG1 GLU 662 -6.073 -17.418 -0.914 269 HA PRO 663 HA PRO 663 -6.112 -10.662 -1.032 270 HB2 PRO 663 HB2 PRO 663 -4.556 -9.954 1.052 271 HB3 PRO 663 HB1 PRO 663 -6.287 -10.270 1.235 272 HG2 PRO 663 HG2 PRO 663 -3.964 -12.063 1.851 273 HG3 PRO 663 HG1 PRO 663 -5.445 -11.776 2.794 274 HD2 PRO 663 HD2 PRO 663 -5.089 -13.958 1.180 275 HD3 PRO 663 HD1 PRO 663 -6.685 -13.247 1.525 276 H ARG 664 HN ARG 664 -4.790 -10.003 -2.598 277 HA ARG 664 HA ARG 664 -2.195 -11.163 -2.983 278 HB2 ARG 664 HB2 ARG 664 -3.549 -8.855 -4.393 279 HB3 ARG 664 HB1 ARG 664 -2.067 -9.640 -4.925 280 HG2 ARG 664 HG2 ARG 664 -3.249 -11.718 -5.265 281 HG3 ARG 664 HG1 ARG 664 -4.734 -11.000 -4.640 282 HD2 ARG 664 HD2 ARG 664 -4.748 -9.411 -6.489 283 HD3 ARG 664 HD1 ARG 664 -3.251 -10.111 -7.108 284 HE ARG 664 HE ARG 664 -4.710 -12.261 -7.145 285 HH11 ARG 664 HH11 ARG 664 -5.722 -9.020 -7.988 286 HH12 ARG 664 HH12 ARG 664 -6.973 -9.553 -9.064 287 HH21 ARG 664 HH21 ARG 664 -6.347 -12.969 -8.557 288 HH22 ARG 664 HH22 ARG 664 -7.327 -11.805 -9.391 289 H TYR 665 HN TYR 665 -3.438 -8.172 -1.663 290 HA TYR 665 HA TYR 665 -1.084 -6.666 -1.881 291 HB2 TYR 665 HB2 TYR 665 -2.141 -5.269 -0.016 292 HB3 TYR 665 HB1 TYR 665 -3.011 -5.401 -1.541 293 HD1 TYR 665 HD1 TYR 665 -5.005 -6.918 -1.675 294 HD2 TYR 665 HD2 TYR 665 -3.102 -5.972 2.006 295 HE1 TYR 665 HE1 TYR 665 -7.026 -7.614 -0.462 296 HE2 TYR 665 HE2 TYR 665 -5.116 -6.685 3.230 297 HH TYR 665 HH TYR 665 -7.763 -8.276 1.658 298 H MET 666 HN MET 666 -2.098 -8.988 0.534 299 HA MET 666 HA MET 666 -0.130 -8.185 2.442 300 HB2 MET 666 HB2 MET 666 -1.908 -10.585 2.176 301 HB3 MET 666 HB1 MET 666 -0.582 -10.591 3.343 302 HG2 MET 666 HG2 MET 666 -2.884 -8.648 3.239 303 HG3 MET 666 HG1 MET 666 -2.615 -9.912 4.439 304 HE1 MET 666 HE1 MET 666 -3.185 -6.851 5.249 305 HE2 MET 666 HE2 MET 666 -2.011 -6.689 6.555 306 HE3 MET 666 HE3 MET 666 -2.937 -8.180 6.382 307 H MET 667 HN MET 667 -0.224 -10.515 -0.196 308 HA MET 667 HA MET 667 2.294 -11.697 0.428 309 HB2 MET 667 HB2 MET 667 0.657 -12.847 -1.010 310 HB3 MET 667 HB1 MET 667 0.817 -11.572 -2.211 311 HG2 MET 667 HG2 MET 667 3.204 -12.169 -2.466 312 HG3 MET 667 HG1 MET 667 2.958 -13.508 -1.348 313 HE1 MET 667 HE1 MET 667 2.197 -12.008 -4.848 314 HE2 MET 667 HE2 MET 667 0.552 -12.174 -4.234 315 HE3 MET 667 HE3 MET 667 1.106 -13.195 -5.561 316 H LEU 668 HN LEU 668 1.207 -9.195 -1.820 317 HA LEU 668 HA LEU 668 3.733 -8.613 -2.923 318 HB2 LEU 668 HB2 LEU 668 1.130 -7.156 -2.769 319 HB3 LEU 668 HB1 LEU 668 2.555 -6.284 -3.295 320 HG LEU 668 HG LEU 668 2.839 -7.798 -5.177 321 HD11 LEU 668 HD11 LEU 668 1.147 -9.485 -5.709 322 HD12 LEU 668 HD12 LEU 668 0.376 -9.196 -4.151 323 HD13 LEU 668 HD13 LEU 668 2.008 -9.861 -4.218 324 HD21 LEU 668 HD21 LEU 668 0.822 -7.204 -6.430 325 HD22 LEU 668 HD22 LEU 668 1.430 -5.851 -5.479 326 HD23 LEU 668 HD23 LEU 668 0.023 -6.757 -4.922 327 H ALA 669 HN ALA 669 2.095 -7.439 -0.006 328 HA ALA 669 HA ALA 669 4.023 -5.348 0.429 329 HB1 ALA 669 HB1 ALA 669 1.728 -5.085 1.215 330 HB2 ALA 669 HB2 ALA 669 2.870 -5.017 2.557 331 HB3 ALA 669 HB3 ALA 669 1.924 -6.479 2.277 332 H ARG 670 HN ARG 670 3.454 -8.650 1.551 333 HA ARG 670 HA ARG 670 5.471 -8.691 3.523 334 HB2 ARG 670 HB2 ARG 670 3.749 -10.457 3.304 335 HB3 ARG 670 HB1 ARG 670 4.499 -10.978 1.799 336 HG2 ARG 670 HG2 ARG 670 6.594 -11.400 3.083 337 HG3 ARG 670 HG1 ARG 670 5.686 -11.079 4.558 338 HD2 ARG 670 HD2 ARG 670 4.160 -12.918 4.002 339 HD3 ARG 670 HD1 ARG 670 5.099 -13.242 2.543 340 HE ARG 670 HE ARG 670 6.490 -13.303 5.111 341 HH11 ARG 670 HH11 ARG 670 5.122 -15.101 2.423 342 HH12 ARG 670 HH12 ARG 670 6.000 -16.548 2.799 343 HH21 ARG 670 HH21 ARG 670 7.636 -15.197 5.583 344 HH22 ARG 670 HH22 ARG 670 7.422 -16.605 4.589 345 H GLU 671 HN GLU 671 5.494 -9.410 0.046 346 HA GLU 671 HA GLU 671 8.220 -10.167 -0.045 347 HB2 GLU 671 HB2 GLU 671 6.606 -10.755 -1.810 348 HB3 GLU 671 HB1 GLU 671 6.456 -9.058 -2.238 349 HG2 GLU 671 HG2 GLU 671 8.604 -8.967 -3.124 350 HG3 GLU 671 HG1 GLU 671 9.107 -10.444 -2.307 351 H ALA 672 HN ALA 672 6.510 -7.112 -0.622 352 HA ALA 672 HA ALA 672 8.706 -5.489 -1.171 353 HB1 ALA 672 HB1 ALA 672 6.243 -4.717 0.387 354 HB2 ALA 672 HB2 ALA 672 6.340 -4.804 -1.370 355 HB3 ALA 672 HB3 ALA 672 7.322 -3.634 -0.490 356 H GLU 673 HN GLU 673 7.349 -6.521 1.913 357 HA GLU 673 HA GLU 673 8.983 -4.998 3.621 358 HB2 GLU 673 HB2 GLU 673 6.925 -6.176 4.325 359 HB3 GLU 673 HB1 GLU 673 7.736 -7.715 4.087 360 HG2 GLU 673 HG2 GLU 673 9.330 -7.145 5.843 361 HG3 GLU 673 HG1 GLU 673 8.507 -5.604 6.084 362 H MET 674 HN MET 674 9.327 -8.248 2.267 363 HA MET 674 HA MET 674 11.828 -8.768 3.545 364 HB2 MET 674 HB2 MET 674 10.532 -10.101 1.156 365 HB3 MET 674 HB1 MET 674 11.974 -10.692 1.973 366 HG2 MET 674 HG2 MET 674 10.626 -10.868 4.061 367 HG3 MET 674 HG1 MET 674 9.199 -10.462 3.111 368 HE1 MET 674 HE1 MET 674 9.854 -11.999 0.357 369 HE2 MET 674 HE2 MET 674 8.266 -12.007 1.126 370 HE3 MET 674 HE3 MET 674 9.019 -13.526 0.643 371 H LEU 675 HN LEU 675 10.881 -7.052 0.704 372 HA LEU 675 HA LEU 675 13.549 -7.046 -0.419 373 HB2 LEU 675 HB2 LEU 675 10.887 -6.047 -1.203 374 HB3 LEU 675 HB1 LEU 675 12.226 -5.031 -1.696 375 HG LEU 675 HG LEU 675 11.551 -6.581 -3.468 376 HD11 LEU 675 HD11 LEU 675 14.266 -7.169 -2.307 377 HD12 LEU 675 HD12 LEU 675 13.849 -5.859 -3.412 378 HD13 LEU 675 HD13 LEU 675 13.757 -7.533 -3.955 379 HD21 LEU 675 HD21 LEU 675 11.890 -8.969 -3.259 380 HD22 LEU 675 HD22 LEU 675 10.743 -8.405 -2.042 381 HD23 LEU 675 HD23 LEU 675 12.405 -8.772 -1.586 382 H PHE 676 HN PHE 676 11.683 -5.172 1.816 383 HA PHE 676 HA PHE 676 13.374 -2.845 1.591 384 HB2 PHE 676 HB2 PHE 676 10.957 -2.725 2.263 385 HB3 PHE 676 HB1 PHE 676 11.395 -3.496 3.790 386 HD1 PHE 676 HD1 PHE 676 11.380 -2.014 5.532 387 HD2 PHE 676 HD2 PHE 676 12.842 -0.710 1.753 388 HE1 PHE 676 HE1 PHE 676 11.914 0.183 6.498 389 HE2 PHE 676 HE2 PHE 676 13.376 1.487 2.714 390 HZ PHE 676 HZ PHE 676 12.891 1.953 5.064 391 H THR 677 HN THR 677 12.805 -5.234 4.202 392 HA THR 677 HA THR 677 15.204 -4.275 5.530 393 HB THR 677 HB THR 677 14.501 -5.942 7.316 394 HG1 THR 677 HG1 THR 677 11.917 -6.035 6.555 395 HG21 THR 677 HG21 THR 677 12.519 -3.802 6.547 396 HG22 THR 677 HG22 THR 677 14.006 -3.541 7.458 397 HG23 THR 677 HG23 THR 677 12.708 -4.512 8.150 398 H GLY 678 HN GLY 678 14.307 -6.773 3.408 399 HA2 GLY 678 HA2 GLY 678 15.749 -8.256 2.339 400 HA3 GLY 678 HA1 GLY 678 16.995 -7.852 3.515 401 H GLY 679 HN GLY 679 16.562 -10.469 2.716 402 HA2 GLY 679 HA2 GLY 679 16.896 -12.219 4.440 403 HA3 GLY 679 HA1 GLY 679 15.424 -11.620 5.189 404 H TYR 680 HN TYR 680 15.583 -14.245 4.646 405 HA TYR 680 HA TYR 680 14.473 -15.979 3.682 406 HB2 TYR 680 HB2 TYR 680 12.641 -13.762 2.744 407 HB3 TYR 680 HB1 TYR 680 12.271 -15.478 2.609 408 HD1 TYR 680 HD1 TYR 680 11.843 -16.811 4.640 409 HD2 TYR 680 HD2 TYR 680 12.434 -12.606 4.824 410 HE1 TYR 680 HE1 TYR 680 10.863 -16.777 6.892 411 HE2 TYR 680 HE2 TYR 680 11.453 -12.561 7.079 412 HH TYR 680 HH TYR 680 10.931 -15.360 8.909 413 H GLY 681 HN GLY 681 16.608 -14.602 2.154 414 HA2 GLY 681 HA2 GLY 681 17.584 -15.305 0.132 415 HA3 GLY 681 HA1 GLY 681 15.997 -15.823 -0.428 416 H LEU 682 HN LEU 682 15.393 -12.886 0.785 417 HA LEU 682 HA LEU 682 15.652 -11.636 -1.847 418 HB2 LEU 682 HB2 LEU 682 13.991 -10.938 0.570 419 HB3 LEU 682 HB1 LEU 682 14.144 -9.873 -0.809 420 HG LEU 682 HG LEU 682 12.073 -10.999 -1.029 421 HD11 LEU 682 HD11 LEU 682 14.007 -12.406 -2.853 422 HD12 LEU 682 HD12 LEU 682 13.389 -10.773 -3.091 423 HD13 LEU 682 HD13 LEU 682 12.285 -12.148 -3.128 424 HD21 LEU 682 HD21 LEU 682 13.534 -13.612 -0.702 425 HD22 LEU 682 HD22 LEU 682 11.808 -13.404 -1.000 426 HD23 LEU 682 HD23 LEU 682 12.514 -12.845 0.515 427 H GLU 683 HN GLU 683 17.012 -10.016 -2.225 428 HA GLU 683 HA GLU 683 18.610 -8.958 -0.037 429 HB2 GLU 683 HB2 GLU 683 19.733 -9.660 -2.115 430 HB3 GLU 683 HB1 GLU 683 18.792 -8.483 -3.017 431 HG2 GLU 683 HG2 GLU 683 19.846 -6.672 -1.799 432 HG3 GLU 683 HG1 GLU 683 20.760 -7.834 -0.838 433 H LYS 684 HN LYS 684 18.448 -6.928 0.730 434 HA LYS 684 HA LYS 684 16.068 -5.507 0.412 435 HB2 LYS 684 HB2 LYS 684 17.091 -3.757 1.753 436 HB3 LYS 684 HB1 LYS 684 17.480 -5.338 2.415 437 HG2 LYS 684 HG2 LYS 684 19.702 -5.227 1.453 438 HG3 LYS 684 HG1 LYS 684 19.318 -3.685 0.689 439 HD2 LYS 684 HD2 LYS 684 19.319 -4.185 3.664 440 HD3 LYS 684 HD1 LYS 684 20.659 -3.470 2.769 441 HE2 LYS 684 HE2 LYS 684 19.605 -1.574 3.506 442 HE3 LYS 684 HE1 LYS 684 18.791 -1.794 1.964 443 HZ1 LYS 684 HZ1 LYS 684 17.047 -3.046 3.294 444 HZ2 LYS 684 HZ2 LYS 684 17.111 -1.373 3.496 445 HZ3 LYS 684 HZ3 LYS 684 17.772 -2.384 4.675 446 H ASP 685 HN ASP 685 15.399 -3.935 -0.865 447 HA ASP 685 HA ASP 685 17.212 -2.292 -2.419 448 HB2 ASP 685 HB2 ASP 685 16.963 -4.293 -3.854 449 HB3 ASP 685 HB1 ASP 685 15.209 -4.108 -3.795 450 HA PRO 686 HA PRO 686 13.745 0.163 -0.747 451 HB2 PRO 686 HB2 PRO 686 15.318 2.262 -2.165 452 HB3 PRO 686 HB1 PRO 686 14.649 2.271 -0.527 453 HG2 PRO 686 HG2 PRO 686 17.252 1.894 -0.934 454 HG3 PRO 686 HG1 PRO 686 16.386 0.997 0.327 455 HD2 PRO 686 HD2 PRO 686 17.341 0.065 -2.349 456 HD3 PRO 686 HD1 PRO 686 17.247 -0.823 -0.809 457 H GLN 687 HN GLN 687 14.945 0.206 -4.070 458 HA GLN 687 HA GLN 687 12.820 1.793 -5.116 459 HB2 GLN 687 HB2 GLN 687 14.669 -0.138 -6.526 460 HB3 GLN 687 HB1 GLN 687 13.605 1.006 -7.327 461 HG2 GLN 687 HG2 GLN 687 15.907 1.693 -5.520 462 HG3 GLN 687 HG1 GLN 687 15.892 1.808 -7.278 463 HE21 GLN 687 HE21 GLN 687 14.861 3.243 -4.304 464 HE22 GLN 687 HE22 GLN 687 14.259 4.714 -4.983 465 H ARG 688 HN ARG 688 13.526 -1.688 -5.246 466 HA ARG 688 HA ARG 688 11.094 -2.381 -6.535 467 HB2 ARG 688 HB2 ARG 688 13.293 -3.704 -6.411 468 HB3 ARG 688 HB1 ARG 688 12.763 -4.204 -4.814 469 HG2 ARG 688 HG2 ARG 688 10.813 -5.271 -5.755 470 HG3 ARG 688 HG1 ARG 688 11.251 -4.701 -7.369 471 HD2 ARG 688 HD2 ARG 688 12.724 -6.674 -5.640 472 HD3 ARG 688 HD1 ARG 688 11.973 -6.963 -7.210 473 HE ARG 688 HE ARG 688 13.787 -5.063 -7.793 474 HH11 ARG 688 HH11 ARG 688 14.044 -8.122 -6.105 475 HH12 ARG 688 HH12 ARG 688 15.722 -8.334 -6.488 476 HH21 ARG 688 HH21 ARG 688 15.997 -5.326 -8.276 477 HH22 ARG 688 HH22 ARG 688 16.838 -6.748 -7.737 478 H SER 689 HN SER 689 12.178 -2.170 -3.207 479 HA SER 689 HA SER 689 10.048 -3.347 -1.897 480 HB2 SER 689 HB2 SER 689 12.125 -2.529 -0.795 481 HB3 SER 689 HB1 SER 689 11.548 -0.874 -1.007 482 HG SER 689 HG SER 689 10.349 -2.938 0.529 483 H GLY 690 HN GLY 690 10.378 0.123 -2.898 484 HA2 GLY 690 HA2 GLY 690 7.805 0.787 -1.912 485 HA3 GLY 690 HA1 GLY 690 8.809 1.753 -2.997 486 H ASP 691 HN ASP 691 9.051 -0.341 -4.999 487 HA ASP 691 HA ASP 691 6.746 0.260 -6.540 488 HB2 ASP 691 HB2 ASP 691 8.945 -0.355 -7.532 489 HB3 ASP 691 HB1 ASP 691 8.718 -2.006 -6.953 490 H LEU 692 HN LEU 692 7.737 -2.670 -4.781 491 HA LEU 692 HA LEU 692 5.377 -4.126 -5.361 492 HB2 LEU 692 HB2 LEU 692 7.511 -4.399 -3.264 493 HB3 LEU 692 HB1 LEU 692 6.126 -5.471 -3.317 494 HG LEU 692 HG LEU 692 7.894 -5.130 -5.719 495 HD11 LEU 692 HD11 LEU 692 8.281 -7.032 -3.411 496 HD12 LEU 692 HD12 LEU 692 9.378 -5.741 -3.900 497 HD13 LEU 692 HD13 LEU 692 9.120 -7.129 -4.958 498 HD21 LEU 692 HD21 LEU 692 5.727 -6.214 -6.019 499 HD22 LEU 692 HD22 LEU 692 6.110 -7.349 -4.723 500 HD23 LEU 692 HD23 LEU 692 7.044 -7.371 -6.220 501 H TYR 693 HN TYR 693 6.300 -1.954 -2.721 502 HA TYR 693 HA TYR 693 4.029 -2.466 -1.113 503 HB2 TYR 693 HB2 TYR 693 6.105 -0.341 -1.188 504 HB3 TYR 693 HB1 TYR 693 4.586 0.056 -0.375 505 HD1 TYR 693 HD1 TYR 693 3.754 -2.127 1.107 506 HD2 TYR 693 HD2 TYR 693 7.772 -0.993 0.286 507 HE1 TYR 693 HE1 TYR 693 4.495 -3.298 3.137 508 HE2 TYR 693 HE2 TYR 693 8.523 -2.165 2.310 509 HH TYR 693 HH TYR 693 6.454 -4.265 4.094 510 H THR 694 HN THR 694 4.595 -0.212 -3.765 511 HA THR 694 HA THR 694 2.096 1.130 -3.394 512 HB THR 694 HB THR 694 2.539 1.927 -5.814 513 HG1 THR 694 HG1 THR 694 5.182 1.079 -5.264 514 HG21 THR 694 HG21 THR 694 2.977 3.232 -3.739 515 HG22 THR 694 HG22 THR 694 4.101 3.590 -5.046 516 HG23 THR 694 HG23 THR 694 4.608 2.560 -3.707 517 H GLN 695 HN GLN 695 3.221 -1.586 -5.359 518 HA GLN 695 HA GLN 695 0.774 -1.948 -6.760 519 HB2 GLN 695 HB2 GLN 695 2.979 -3.891 -6.061 520 HB3 GLN 695 HB1 GLN 695 1.605 -4.305 -7.077 521 HG2 GLN 695 HG2 GLN 695 3.760 -2.282 -7.648 522 HG3 GLN 695 HG1 GLN 695 3.456 -3.805 -8.485 523 HE21 GLN 695 HE21 GLN 695 2.448 -0.500 -8.102 524 HE22 GLN 695 HE22 GLN 695 1.355 -0.468 -9.440 525 H ALA 696 HN ALA 696 2.067 -3.228 -3.718 526 HA ALA 696 HA ALA 696 -0.075 -4.856 -3.015 527 HB1 ALA 696 HB1 ALA 696 0.728 -4.665 -0.729 528 HB2 ALA 696 HB2 ALA 696 1.702 -3.264 -1.169 529 HB3 ALA 696 HB3 ALA 696 2.083 -4.850 -1.841 530 H ALA 697 HN ALA 697 0.452 -1.369 -2.481 531 HA ALA 697 HA ALA 697 -1.868 -1.005 -0.905 532 HB1 ALA 697 HB1 ALA 697 -0.436 1.032 -2.603 533 HB2 ALA 697 HB2 ALA 697 0.064 0.557 -0.981 534 HB3 ALA 697 HB3 ALA 697 -1.492 1.348 -1.226 535 H GLU 698 HN GLU 698 -1.184 -0.900 -4.349 536 HA GLU 698 HA GLU 698 -3.645 0.062 -5.259 537 HB2 GLU 698 HB2 GLU 698 -1.733 -0.212 -6.740 538 HB3 GLU 698 HB1 GLU 698 -1.756 -1.953 -6.496 539 HG2 GLU 698 HG2 GLU 698 -4.046 -1.960 -7.524 540 HG3 GLU 698 HG1 GLU 698 -3.774 -0.268 -7.951 541 H ALA 699 HN ALA 699 -2.558 -3.271 -4.616 542 HA ALA 699 HA ALA 699 -5.056 -4.470 -5.231 543 HB1 ALA 699 HB1 ALA 699 -4.120 -6.465 -4.129 544 HB2 ALA 699 HB2 ALA 699 -2.764 -5.493 -3.559 545 HB3 ALA 699 HB3 ALA 699 -2.998 -5.750 -5.286 546 H ALA 700 HN ALA 700 -3.771 -2.936 -2.407 547 HA ALA 700 HA ALA 700 -5.674 -3.993 -0.545 548 HB1 ALA 700 HB1 ALA 700 -3.498 -3.065 0.153 549 HB2 ALA 700 HB2 ALA 700 -4.858 -2.321 0.992 550 HB3 ALA 700 HB3 ALA 700 -4.054 -1.461 -0.321 551 H MET 701 HN MET 701 -5.419 -0.911 -2.335 552 HA MET 701 HA MET 701 -7.921 0.046 -1.373 553 HB2 MET 701 HB2 MET 701 -7.699 1.847 -2.941 554 HB3 MET 701 HB1 MET 701 -6.117 1.532 -2.245 555 HG2 MET 701 HG2 MET 701 -5.430 0.371 -4.244 556 HG3 MET 701 HG1 MET 701 -7.037 0.569 -4.941 557 HE1 MET 701 HE1 MET 701 -5.972 1.578 -7.119 558 HE2 MET 701 HE2 MET 701 -4.341 1.447 -6.464 559 HE3 MET 701 HE3 MET 701 -4.898 2.974 -7.147 560 H GLU 702 HN GLU 702 -6.961 -2.018 -4.002 561 HA GLU 702 HA GLU 702 -9.343 -2.048 -5.486 562 HB2 GLU 702 HB2 GLU 702 -7.407 -3.216 -6.306 563 HB3 GLU 702 HB1 GLU 702 -7.350 -4.234 -4.875 564 HG2 GLU 702 HG2 GLU 702 -9.604 -5.131 -5.573 565 HG3 GLU 702 HG1 GLU 702 -9.358 -4.294 -7.106 566 H ALA 703 HN ALA 703 -8.402 -3.678 -2.529 567 HA ALA 703 HA ALA 703 -10.906 -5.120 -2.316 568 HB1 ALA 703 HB1 ALA 703 -8.618 -4.877 -0.361 569 HB2 ALA 703 HB2 ALA 703 -8.849 -6.174 -1.533 570 HB3 ALA 703 HB3 ALA 703 -9.993 -5.971 -0.206 571 H MET 704 HN MET 704 -10.335 -2.044 -2.118 572 HA MET 704 HA MET 704 -11.238 -0.231 -1.139 573 HB2 MET 704 HB2 MET 704 -13.309 -2.230 -0.217 574 HB3 MET 704 HB1 MET 704 -13.475 -0.486 -0.079 575 HG2 MET 704 HG2 MET 704 -13.208 -2.044 -2.641 576 HG3 MET 704 HG1 MET 704 -14.690 -1.345 -1.997 577 HE1 MET 704 HE1 MET 704 -13.984 2.495 -2.273 578 HE2 MET 704 HE2 MET 704 -13.782 1.436 -0.879 579 HE3 MET 704 HE3 MET 704 -15.196 1.269 -1.915 580 H LYS 705 HN LYS 705 -9.229 -1.728 0.283 581 HA LYS 705 HA LYS 705 -9.932 -1.116 3.064 582 HB2 LYS 705 HB2 LYS 705 -7.689 -2.755 1.883 583 HB3 LYS 705 HB1 LYS 705 -7.790 -2.346 3.591 584 HG2 LYS 705 HG2 LYS 705 -10.065 -3.427 3.596 585 HG3 LYS 705 HG1 LYS 705 -9.684 -4.030 1.983 586 HD2 LYS 705 HD2 LYS 705 -7.737 -5.194 2.865 587 HD3 LYS 705 HD1 LYS 705 -8.073 -4.558 4.476 588 HE2 LYS 705 HE2 LYS 705 -9.842 -6.413 2.882 589 HE3 LYS 705 HE1 LYS 705 -8.867 -6.848 4.284 590 HZ1 LYS 705 HZ1 LYS 705 -11.157 -4.961 4.264 591 HZ2 LYS 705 HZ2 LYS 705 -10.195 -5.301 5.611 592 HZ3 LYS 705 HZ3 LYS 705 -11.148 -6.515 4.925 593 H GLY 706 HN GLY 706 -9.825 1.123 2.743 594 HA2 GLY 706 HA2 GLY 706 -7.748 2.526 1.523 595 HA3 GLY 706 HA1 GLY 706 -8.859 3.191 2.708 596 H ARG 707 HN ARG 707 -8.101 1.588 4.933 597 HA ARG 707 HA ARG 707 -5.984 3.180 5.898 598 HB2 ARG 707 HB2 ARG 707 -7.722 2.111 7.322 599 HB3 ARG 707 HB1 ARG 707 -6.959 0.556 7.031 600 HG2 ARG 707 HG2 ARG 707 -4.893 1.412 8.077 601 HG3 ARG 707 HG1 ARG 707 -5.745 2.913 8.450 602 HD2 ARG 707 HD2 ARG 707 -7.423 1.566 9.697 603 HD3 ARG 707 HD1 ARG 707 -6.415 0.147 9.433 604 HE ARG 707 HE ARG 707 -4.902 2.229 10.628 605 HH11 ARG 707 HH11 ARG 707 -7.353 -0.171 11.329 606 HH12 ARG 707 HH12 ARG 707 -6.957 -0.277 13.015 607 HH21 ARG 707 HH21 ARG 707 -4.398 2.139 12.842 608 HH22 ARG 707 HH22 ARG 707 -5.265 1.046 13.882 609 H LEU 708 HN LEU 708 -6.049 -0.229 4.874 610 HA LEU 708 HA LEU 708 -3.311 -0.718 5.395 611 HB2 LEU 708 HB2 LEU 708 -5.271 -2.074 3.550 612 HB3 LEU 708 HB1 LEU 708 -3.628 -2.640 3.778 613 HG LEU 708 HG LEU 708 -5.823 -2.548 5.844 614 HD11 LEU 708 HD11 LEU 708 -5.554 -4.946 5.888 615 HD12 LEU 708 HD12 LEU 708 -4.256 -4.849 4.699 616 HD13 LEU 708 HD13 LEU 708 -5.903 -4.408 4.246 617 HD21 LEU 708 HD21 LEU 708 -2.910 -3.248 6.177 618 HD22 LEU 708 HD22 LEU 708 -4.169 -3.567 7.369 619 HD23 LEU 708 HD23 LEU 708 -3.769 -1.906 6.934 620 H ALA 709 HN ALA 709 -5.072 0.198 2.474 621 HA ALA 709 HA ALA 709 -2.939 0.277 0.693 622 HB1 ALA 709 HB1 ALA 709 -4.297 1.782 -0.650 623 HB2 ALA 709 HB2 ALA 709 -5.355 2.078 0.730 624 HB3 ALA 709 HB3 ALA 709 -5.277 0.471 0.007 625 H ASN 710 HN ASN 710 -4.179 2.806 2.854 626 HA ASN 710 HA ASN 710 -2.374 4.808 2.020 627 HB2 ASN 710 HB2 ASN 710 -4.455 5.247 3.331 628 HB3 ASN 710 HB1 ASN 710 -3.663 4.550 4.742 629 HD21 ASN 710 HD21 ASN 710 -3.872 6.541 5.856 630 HD22 ASN 710 HD22 ASN 710 -2.820 7.873 5.492 631 H GLN 711 HN GLN 711 -2.255 2.483 4.715 632 HA GLN 711 HA GLN 711 0.176 3.238 5.817 633 HB2 GLN 711 HB2 GLN 711 -1.297 1.575 6.838 634 HB3 GLN 711 HB1 GLN 711 -0.970 0.456 5.525 635 HG2 GLN 711 HG2 GLN 711 1.433 0.490 6.204 636 HG3 GLN 711 HG1 GLN 711 0.958 1.435 7.613 637 HE21 GLN 711 HE21 GLN 711 -0.987 -1.150 6.235 638 HE22 GLN 711 HE22 GLN 711 -0.815 -2.240 7.567 639 H TYR 712 HN TYR 712 -0.375 0.734 3.342 640 HA TYR 712 HA TYR 712 2.358 0.259 2.929 641 HB2 TYR 712 HB2 TYR 712 0.001 -0.347 1.147 642 HB3 TYR 712 HB1 TYR 712 1.649 -0.908 0.822 643 HD1 TYR 712 HD1 TYR 712 2.647 -1.682 3.423 644 HD2 TYR 712 HD2 TYR 712 -1.245 -2.202 1.796 645 HE1 TYR 712 HE1 TYR 712 2.290 -3.600 4.914 646 HE2 TYR 712 HE2 TYR 712 -1.617 -4.125 3.285 647 HH TYR 712 HH TYR 712 -0.337 -5.759 4.552 648 H TYR 713 HN TYR 713 0.227 2.651 1.390 649 HA TYR 713 HA TYR 713 2.186 3.486 -0.512 650 HB2 TYR 713 HB2 TYR 713 -0.303 4.711 0.602 651 HB3 TYR 713 HB1 TYR 713 0.856 5.779 -0.177 652 HD1 TYR 713 HD1 TYR 713 -1.998 3.892 -0.712 653 HD2 TYR 713 HD2 TYR 713 1.730 4.796 -2.539 654 HE1 TYR 713 HE1 TYR 713 -2.939 3.292 -2.903 655 HE2 TYR 713 HE2 TYR 713 0.800 4.194 -4.740 656 HH TYR 713 HH TYR 713 -1.034 2.776 -5.641 657 H GLN 714 HN GLN 714 1.383 4.468 2.775 658 HA GLN 714 HA GLN 714 3.284 6.499 3.148 659 HB2 GLN 714 HB2 GLN 714 1.451 6.110 4.695 660 HB3 GLN 714 HB1 GLN 714 2.071 4.513 5.080 661 HG2 GLN 714 HG2 GLN 714 4.187 5.907 5.823 662 HG3 GLN 714 HG1 GLN 714 2.974 7.177 6.003 663 HE21 GLN 714 HE21 GLN 714 4.119 4.123 7.175 664 HE22 GLN 714 HE22 GLN 714 3.120 4.049 8.584 665 H LYS 715 HN LYS 715 3.552 3.057 3.053 666 HA LYS 715 HA LYS 715 6.106 3.007 4.425 667 HB2 LYS 715 HB2 LYS 715 4.469 1.147 4.722 668 HB3 LYS 715 HB1 LYS 715 4.633 0.771 3.008 669 HG2 LYS 715 HG2 LYS 715 5.958 -0.770 4.276 670 HG3 LYS 715 HG1 LYS 715 7.028 0.301 3.373 671 HD2 LYS 715 HD2 LYS 715 7.475 1.603 5.359 672 HD3 LYS 715 HD1 LYS 715 6.303 0.654 6.280 673 HE2 LYS 715 HE2 LYS 715 8.817 -0.433 5.015 674 HE3 LYS 715 HE1 LYS 715 8.641 -0.019 6.721 675 HZ1 LYS 715 HZ1 LYS 715 8.338 -2.372 6.390 676 HZ2 LYS 715 HZ2 LYS 715 7.113 -2.111 5.256 677 HZ3 LYS 715 HZ3 LYS 715 6.872 -1.685 6.875 678 H ALA 716 HN ALA 716 4.771 2.761 1.176 679 HA ALA 716 HA ALA 716 7.180 2.316 -0.204 680 HB1 ALA 716 HB1 ALA 716 4.716 3.831 -1.070 681 HB2 ALA 716 HB2 ALA 716 5.014 2.109 -1.297 682 HB3 ALA 716 HB3 ALA 716 6.006 3.295 -2.143 683 H GLU 717 HN GLU 717 5.471 5.324 0.615 684 HA GLU 717 HA GLU 717 7.279 7.210 -0.184 685 HB2 GLU 717 HB2 GLU 717 5.606 7.127 2.330 686 HB3 GLU 717 HB1 GLU 717 6.446 8.562 1.762 687 HG2 GLU 717 HG2 GLU 717 4.404 7.100 0.116 688 HG3 GLU 717 HG1 GLU 717 3.999 8.417 1.216 689 H GLU 718 HN GLU 718 7.191 5.574 2.973 690 HA GLU 718 HA GLU 718 9.521 6.678 4.032 691 HB2 GLU 718 HB2 GLU 718 7.927 5.467 5.394 692 HB3 GLU 718 HB1 GLU 718 8.262 3.981 4.521 693 HG2 GLU 718 HG2 GLU 718 10.471 3.867 5.432 694 HG3 GLU 718 HG1 GLU 718 10.299 5.463 6.161 695 H ALA 719 HN ALA 719 9.087 3.745 2.093 696 HA ALA 719 HA ALA 719 11.685 2.748 2.248 697 HB1 ALA 719 HB1 ALA 719 11.177 1.509 0.214 698 HB2 ALA 719 HB2 ALA 719 9.782 2.546 -0.081 699 HB3 ALA 719 HB3 ALA 719 9.807 1.479 1.324 700 H TRP 720 HN TRP 720 10.273 4.946 -0.177 701 HA TRP 720 HA TRP 720 12.807 5.261 -1.502 702 HB2 TRP 720 HB2 TRP 720 10.214 6.785 -1.814 703 HB3 TRP 720 HB1 TRP 720 11.641 7.041 -2.816 704 HD1 TRP 720 HD1 TRP 720 12.417 3.972 -3.314 705 HE1 TRP 720 HE1 TRP 720 10.940 2.549 -4.869 706 HE3 TRP 720 HE3 TRP 720 8.109 6.734 -3.117 707 HZ2 TRP 720 HZ2 TRP 720 8.314 2.592 -5.879 708 HZ3 TRP 720 HZ3 TRP 720 6.167 5.973 -4.410 709 HH2 TRP 720 HH2 TRP 720 6.268 3.945 -5.768 710 H ALA 721 HN ALA 721 11.102 7.005 1.007 711 HA ALA 721 HA ALA 721 12.672 9.363 0.850 712 HB1 ALA 721 HB1 ALA 721 11.149 8.273 3.207 713 HB2 ALA 721 HB2 ALA 721 10.496 9.329 1.955 714 HB3 ALA 721 HB3 ALA 721 11.763 9.918 3.034 715 H GLN 722 HN GLN 722 13.005 6.351 2.658 716 HA GLN 722 HA GLN 722 14.914 7.222 4.510 717 HB2 GLN 722 HB2 GLN 722 13.727 5.119 4.773 718 HB3 GLN 722 HB1 GLN 722 14.462 4.485 3.310 719 HG2 GLN 722 HG2 GLN 722 16.673 4.646 4.416 720 HG3 GLN 722 HG1 GLN 722 15.849 5.123 5.900 721 HE21 GLN 722 HE21 GLN 722 14.613 3.602 7.008 722 HE22 GLN 722 HE22 GLN 722 14.766 1.907 6.712 723 H MET 723 HN MET 723 15.478 5.289 1.591 724 HA MET 723 HA MET 723 17.541 4.650 0.708 725 HB2 MET 723 HB2 MET 723 17.100 7.534 -0.032 726 HB3 MET 723 HB1 MET 723 18.290 6.505 -0.816 727 HG2 MET 723 HG2 MET 723 16.384 4.939 -1.366 728 HG3 MET 723 HG1 MET 723 15.301 6.223 -0.832 729 HE1 MET 723 HE1 MET 723 16.270 9.097 -3.370 730 HE2 MET 723 HE2 MET 723 17.094 8.781 -1.844 731 HE3 MET 723 HE3 MET 723 15.336 8.684 -1.933 732 H GLU 724 HN GLU 724 18.290 4.888 3.254 733 HA GLU 724 HA GLU 724 20.962 6.020 2.927 734 HB2 GLU 724 HB2 GLU 724 20.931 6.713 5.342 735 HB3 GLU 724 HB1 GLU 724 19.897 7.657 4.288 736 HG2 GLU 724 HG2 GLU 724 18.587 7.360 6.155 737 HG3 GLU 724 HG1 GLU 724 18.020 6.087 5.084 738 H GLU 725 HN GLU 725 19.390 3.381 3.023 739 HA GLU 725 HA GLU 725 21.350 1.953 4.665 740 HB2 GLU 725 HB2 GLU 725 19.048 2.138 5.763 741 HB3 GLU 725 HB1 GLU 725 18.453 1.122 4.460 742 HG2 GLU 725 HG2 GLU 725 20.107 -0.609 5.139 743 HG3 GLU 725 HG1 GLU 725 20.520 0.399 6.522
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