NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619487 | 5m9z | 34061 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 548 HN GLY 548 2.654 9.051 1.173 2 HA2 GLY 548 HA2 GLY 548 4.225 9.524 -0.525 3 HA3 GLY 548 HA3 GLY 548 4.366 11.166 0.084 4 H LYS 549 HN LYS 549 4.495 9.300 2.743 5 HA LYS 549 HA LYS 549 7.356 9.532 2.884 6 HB2 LYS 549 HB2 LYS 549 5.278 8.699 4.889 7 HB3 LYS 549 HB3 LYS 549 6.992 8.534 5.221 8 HG2 LYS 549 HG2 LYS 549 6.048 10.580 6.171 9 HG3 LYS 549 HG3 LYS 549 7.313 10.918 4.991 10 HD2 LYS 549 HD2 LYS 549 5.342 11.156 3.321 11 HD3 LYS 549 HD3 LYS 549 4.355 11.329 4.776 12 HE2 LYS 549 HE2 LYS 549 5.736 13.198 5.509 13 HE3 LYS 549 HE3 LYS 549 6.757 13.016 4.082 14 HZ1 LYS 549 HZ1 LYS 549 4.807 13.513 2.703 15 HZ2 LYS 549 HZ2 LYS 549 5.186 14.782 3.757 16 HZ3 LYS 549 HZ3 LYS 549 3.881 13.755 4.108 17 H TYR 550 HN TYR 550 8.782 7.874 3.407 18 HA TYR 550 HA TYR 550 8.044 5.323 2.142 19 HB2 TYR 550 HB2 TYR 550 10.201 5.170 1.238 20 HB3 TYR 550 HB3 TYR 550 9.783 6.866 1.038 21 HD1 TYR 550 HD1 TYR 550 12.036 4.499 2.592 22 HD2 TYR 550 HD2 TYR 550 10.799 8.573 2.581 23 HE1 TYR 550 HE1 TYR 550 14.075 5.108 3.818 24 HE2 TYR 550 HE2 TYR 550 12.842 9.195 3.802 25 HH TYR 550 HH TYR 550 14.502 8.156 5.267 26 H VAL 551 HN VAL 551 9.241 3.450 2.909 27 HA VAL 551 HA VAL 551 9.939 3.662 5.771 28 HB VAL 551 HB VAL 551 8.711 1.307 4.308 29 HG11 VAL 551 HG11 VAL 551 9.459 1.590 7.218 30 HG12 VAL 551 HG12 VAL 551 10.260 0.560 6.032 31 HG13 VAL 551 HG13 VAL 551 8.592 0.231 6.499 32 HG21 VAL 551 HG21 VAL 551 7.105 3.088 4.723 33 HG22 VAL 551 HG22 VAL 551 7.554 3.105 6.429 34 HG23 VAL 551 HG23 VAL 551 6.769 1.687 5.740 35 H VAL 552 HN VAL 552 11.873 2.909 6.350 36 HA VAL 552 HA VAL 552 13.861 2.396 4.418 37 HB VAL 552 HB VAL 552 13.951 1.819 7.389 38 HG11 VAL 552 HG11 VAL 552 16.195 2.222 5.413 39 HG12 VAL 552 HG12 VAL 552 15.737 0.698 6.171 40 HG13 VAL 552 HG13 VAL 552 16.379 2.012 7.151 41 HG21 VAL 552 HG21 VAL 552 14.758 4.313 5.889 42 HG22 VAL 552 HG22 VAL 552 15.008 4.019 7.612 43 HG23 VAL 552 HG23 VAL 552 13.371 4.149 6.968 44 H VAL 553 HN VAL 553 14.685 0.533 3.627 45 HA VAL 553 HA VAL 553 13.059 -1.745 3.577 46 HB VAL 553 HB VAL 553 15.979 -1.521 2.844 47 HG11 VAL 553 HG11 VAL 553 15.512 -3.486 1.405 48 HG12 VAL 553 HG12 VAL 553 13.923 -3.620 2.162 49 HG13 VAL 553 HG13 VAL 553 15.383 -3.836 3.127 50 HG21 VAL 553 HG21 VAL 553 14.609 0.050 1.606 51 HG22 VAL 553 HG22 VAL 553 13.486 -1.237 1.170 52 HG23 VAL 553 HG23 VAL 553 15.136 -1.257 0.547 53 HA PRO 554 HA PRO 554 14.146 -3.539 7.490 54 HB2 PRO 554 HB2 PRO 554 12.735 -5.890 6.447 55 HB3 PRO 554 HB3 PRO 554 12.356 -4.887 7.849 56 HG2 PRO 554 HG2 PRO 554 10.882 -4.862 5.568 57 HG3 PRO 554 HG3 PRO 554 11.044 -3.454 6.630 58 HD2 PRO 554 HD2 PRO 554 12.345 -4.018 4.008 59 HD3 PRO 554 HD3 PRO 554 11.827 -2.472 4.706 60 H GLU 555 HN GLU 555 15.753 -4.796 8.163 61 HA GLU 555 HA GLU 555 17.421 -6.064 6.169 62 HB2 GLU 555 HB2 GLU 555 19.077 -6.229 7.899 63 HB3 GLU 555 HB3 GLU 555 18.360 -4.629 7.984 64 HG2 GLU 555 HG2 GLU 555 17.694 -6.948 9.793 65 HG3 GLU 555 HG3 GLU 555 18.746 -5.596 10.195 66 H THR 556 HN THR 556 15.296 -6.950 8.762 67 HA THR 556 HA THR 556 16.102 -9.710 8.835 68 HB THR 556 HB THR 556 14.094 -9.894 10.400 69 HG1 THR 556 HG1 THR 556 14.224 -7.049 10.392 70 HG21 THR 556 HG21 THR 556 16.383 -9.685 11.217 71 HG22 THR 556 HG22 THR 556 15.281 -8.758 12.236 72 HG23 THR 556 HG23 THR 556 16.299 -7.932 11.056 73 H SER 557 HN SER 557 14.468 -8.135 6.551 74 HA SER 557 HA SER 557 12.422 -10.127 6.068 75 HB2 SER 557 HB2 SER 557 13.394 -7.818 4.362 76 HB3 SER 557 HB3 SER 557 12.003 -8.838 3.993 77 HG SER 557 HG SER 557 10.868 -7.871 5.510 78 H GLN 558 HN GLN 558 15.670 -10.039 5.798 79 HA GLN 558 HA GLN 558 17.236 -11.328 4.804 80 HB2 GLN 558 HB2 GLN 558 14.918 -12.845 3.593 81 HB3 GLN 558 HB3 GLN 558 16.594 -13.373 3.616 82 HG2 GLN 558 HG2 GLN 558 14.814 -12.985 6.013 83 HG3 GLN 558 HG3 GLN 558 15.311 -14.521 5.310 84 HE21 GLN 558 HE21 GLN 558 15.691 -13.510 7.996 85 HE22 GLN 558 HE22 GLN 558 17.398 -13.521 8.281 86 H ASP 559 HN ASP 559 14.697 -11.305 2.302 87 HA ASP 559 HA ASP 559 16.646 -10.196 0.424 88 HB2 ASP 559 HB2 ASP 559 15.316 -12.178 -0.277 89 HB3 ASP 559 HB3 ASP 559 13.844 -11.223 -0.112 90 H MET 560 HN MET 560 16.221 -8.274 -0.747 91 HA MET 560 HA MET 560 14.725 -6.380 0.889 92 HB2 MET 560 HB2 MET 560 16.710 -5.956 -1.346 93 HB3 MET 560 HB3 MET 560 15.923 -4.663 -0.453 94 HG2 MET 560 HG2 MET 560 16.962 -5.405 1.608 95 HG3 MET 560 HG3 MET 560 17.694 -6.769 0.769 96 HE1 MET 560 HE1 MET 560 19.657 -6.542 -1.011 97 HE2 MET 560 HE2 MET 560 20.235 -4.989 -1.609 98 HE3 MET 560 HE3 MET 560 18.592 -5.516 -1.972 99 H ALA 561 HN ALA 561 13.330 -8.211 -0.930 100 HA ALA 561 HA ALA 561 11.743 -6.186 -2.301 101 HB1 ALA 561 HB1 ALA 561 11.636 -7.475 -4.371 102 HB2 ALA 561 HB2 ALA 561 12.759 -8.660 -3.706 103 HB3 ALA 561 HB3 ALA 561 13.300 -7.010 -4.012 104 H PHE 562 HN PHE 562 9.589 -6.923 -2.810 105 HA PHE 562 HA PHE 562 8.802 -9.584 -1.989 106 HB2 PHE 562 HB2 PHE 562 7.199 -8.970 -0.335 107 HB3 PHE 562 HB3 PHE 562 8.703 -8.188 0.118 108 HD1 PHE 562 HD1 PHE 562 5.272 -7.707 -0.972 109 HD2 PHE 562 HD2 PHE 562 8.940 -5.745 -0.069 110 HE1 PHE 562 HE1 PHE 562 4.078 -5.561 -0.819 111 HE2 PHE 562 HE2 PHE 562 7.749 -3.593 0.084 112 HZ PHE 562 HZ PHE 562 5.314 -3.500 -0.292 113 H LYS 563 HN LYS 563 6.574 -10.075 -2.649 114 HA LYS 563 HA LYS 563 5.877 -8.629 -5.080 115 HB2 LYS 563 HB2 LYS 563 5.971 -11.117 -5.052 116 HB3 LYS 563 HB3 LYS 563 4.662 -11.128 -3.880 117 HG2 LYS 563 HG2 LYS 563 3.678 -11.583 -5.967 118 HG3 LYS 563 HG3 LYS 563 3.279 -9.905 -5.594 119 HD2 LYS 563 HD2 LYS 563 3.939 -10.112 -7.919 120 HD3 LYS 563 HD3 LYS 563 5.125 -9.157 -7.025 121 HE2 LYS 563 HE2 LYS 563 6.248 -10.717 -8.515 122 HE3 LYS 563 HE3 LYS 563 6.564 -11.133 -6.832 123 HZ1 LYS 563 HZ1 LYS 563 6.066 -13.066 -8.248 124 HZ2 LYS 563 HZ2 LYS 563 4.498 -12.458 -8.516 125 HZ3 LYS 563 HZ3 LYS 563 4.978 -12.909 -6.956 126 H CYS 564 HN CYS 564 4.276 -7.126 -5.153 127 HA CYS 564 HA CYS 564 2.670 -6.569 -2.864 128 HB2 CYS 564 HB2 CYS 564 3.300 -4.804 -4.431 129 HB3 CYS 564 HB3 CYS 564 2.434 -5.614 -5.725 130 HA PRO 565 HA PRO 565 -0.104 -9.929 -3.815 131 HB2 PRO 565 HB2 PRO 565 -1.580 -9.072 -1.429 132 HB3 PRO 565 HB3 PRO 565 -0.706 -10.578 -1.726 133 HG2 PRO 565 HG2 PRO 565 0.215 -8.743 -0.001 134 HG3 PRO 565 HG3 PRO 565 1.310 -9.709 -1.003 135 HD2 PRO 565 HD2 PRO 565 0.354 -6.896 -1.428 136 HD3 PRO 565 HD3 PRO 565 2.000 -7.554 -1.558 137 H ILE 566 HN ILE 566 -1.046 -6.605 -3.562 138 HA ILE 566 HA ILE 566 -3.844 -7.233 -4.027 139 HB ILE 566 HB ILE 566 -2.524 -4.551 -3.584 140 HG12 ILE 566 HG12 ILE 566 -4.104 -6.293 -1.679 141 HG13 ILE 566 HG13 ILE 566 -2.349 -6.185 -1.696 142 HG21 ILE 566 HG21 ILE 566 -4.633 -4.360 -4.783 143 HG22 ILE 566 HG22 ILE 566 -4.806 -3.771 -3.129 144 HG23 ILE 566 HG23 ILE 566 -5.433 -5.362 -3.570 145 HD11 ILE 566 HD11 ILE 566 -4.210 -3.883 -1.162 146 HD12 ILE 566 HD12 ILE 566 -2.447 -3.861 -1.068 147 HD13 ILE 566 HD13 ILE 566 -3.380 -4.835 0.064 148 H CYS 567 HN CYS 567 -1.398 -5.114 -5.612 149 HA CYS 567 HA CYS 567 -2.998 -5.425 -8.056 150 HB2 CYS 567 HB2 CYS 567 -1.923 -3.401 -8.914 151 HB3 CYS 567 HB3 CYS 567 -2.726 -3.096 -7.381 152 H LYS 568 HN LYS 568 -0.175 -6.469 -6.597 153 HA LYS 568 HA LYS 568 1.128 -8.176 -7.204 154 HB2 LYS 568 HB2 LYS 568 -0.618 -8.210 -9.647 155 HB3 LYS 568 HB3 LYS 568 0.617 -9.421 -9.311 156 HG2 LYS 568 HG2 LYS 568 -0.482 -10.033 -7.254 157 HG3 LYS 568 HG3 LYS 568 -1.675 -8.754 -7.473 158 HD2 LYS 568 HD2 LYS 568 -2.422 -9.878 -9.550 159 HD3 LYS 568 HD3 LYS 568 -1.293 -11.192 -9.207 160 HE2 LYS 568 HE2 LYS 568 -2.433 -11.701 -7.148 161 HE3 LYS 568 HE3 LYS 568 -3.489 -10.303 -7.345 162 HZ1 LYS 568 HZ1 LYS 568 -3.426 -12.758 -9.016 163 HZ2 LYS 568 HZ2 LYS 568 -4.325 -11.369 -9.404 164 HZ3 LYS 568 HZ3 LYS 568 -4.676 -12.234 -7.991 165 H GLU 569 HN GLU 569 1.993 -5.435 -7.826 166 HA GLU 569 HA GLU 569 3.914 -6.129 -9.928 167 HB2 GLU 569 HB2 GLU 569 4.612 -3.626 -8.781 168 HB3 GLU 569 HB3 GLU 569 4.024 -3.952 -10.401 169 HG2 GLU 569 HG2 GLU 569 2.423 -2.518 -9.813 170 HG3 GLU 569 HG3 GLU 569 1.694 -3.925 -9.049 171 H THR 570 HN THR 570 5.989 -6.614 -9.485 172 HA THR 570 HA THR 570 6.647 -7.484 -6.877 173 HB THR 570 HB THR 570 8.475 -7.066 -9.259 174 HG1 THR 570 HG1 THR 570 6.736 -8.501 -9.709 175 HG21 THR 570 HG21 THR 570 9.843 -8.824 -8.171 176 HG22 THR 570 HG22 THR 570 8.785 -8.734 -6.762 177 HG23 THR 570 HG23 THR 570 9.754 -7.336 -7.231 178 H VAL 571 HN VAL 571 7.324 -6.296 -5.228 179 HA VAL 571 HA VAL 571 8.083 -3.528 -5.701 180 HB VAL 571 HB VAL 571 7.708 -4.923 -3.051 181 HG11 VAL 571 HG11 VAL 571 7.327 -2.654 -2.207 182 HG12 VAL 571 HG12 VAL 571 7.654 -2.006 -3.816 183 HG13 VAL 571 HG13 VAL 571 8.932 -2.830 -2.919 184 HG21 VAL 571 HG21 VAL 571 5.673 -3.388 -4.660 185 HG22 VAL 571 HG22 VAL 571 5.439 -4.031 -3.035 186 HG23 VAL 571 HG23 VAL 571 5.677 -5.131 -4.394 187 H THR 572 HN THR 572 10.124 -3.075 -5.986 188 HA THR 572 HA THR 572 12.146 -4.438 -4.349 189 HB THR 572 HB THR 572 13.790 -3.602 -6.074 190 HG1 THR 572 HG1 THR 572 13.036 -2.773 -7.959 191 HG21 THR 572 HG21 THR 572 13.003 -5.932 -6.036 192 HG22 THR 572 HG22 THR 572 13.318 -5.376 -7.679 193 HG23 THR 572 HG23 THR 572 11.658 -5.491 -7.089 194 H GLY 573 HN GLY 573 13.970 -2.979 -3.667 195 HA2 GLY 573 HA2 GLY 573 12.989 -0.215 -3.374 196 HA3 GLY 573 HA3 GLY 573 13.672 -1.107 -2.016 197 H VAL 574 HN VAL 574 14.637 1.348 -2.976 198 HA VAL 574 HA VAL 574 17.108 0.597 -4.390 199 HB VAL 574 HB VAL 574 15.663 3.255 -4.477 200 HG11 VAL 574 HG11 VAL 574 17.220 3.807 -6.291 201 HG12 VAL 574 HG12 VAL 574 18.053 2.271 -6.037 202 HG13 VAL 574 HG13 VAL 574 18.066 3.502 -4.772 203 HG21 VAL 574 HG21 VAL 574 14.395 1.535 -5.635 204 HG22 VAL 574 HG22 VAL 574 15.827 1.080 -6.557 205 HG23 VAL 574 HG23 VAL 574 15.100 2.669 -6.788 206 H TYR 575 HN TYR 575 19.024 1.345 -3.616 207 HA TYR 575 HA TYR 575 19.054 2.378 -0.932 208 HB2 TYR 575 HB2 TYR 575 20.742 0.747 -1.619 209 HB3 TYR 575 HB3 TYR 575 21.309 1.840 -2.878 210 HD1 TYR 575 HD1 TYR 575 23.314 2.862 -2.394 211 HD2 TYR 575 HD2 TYR 575 20.596 2.090 0.785 212 HE1 TYR 575 HE1 TYR 575 24.893 3.882 -0.807 213 HE2 TYR 575 HE2 TYR 575 22.171 3.107 2.381 214 HH TYR 575 HH TYR 575 24.911 4.909 1.383 215 H ASP 576 HN ASP 576 18.864 4.460 -0.478 216 HA ASP 576 HA ASP 576 19.408 6.430 -2.555 217 HB2 ASP 576 HB2 ASP 576 17.329 6.744 -1.327 218 HB3 ASP 576 HB3 ASP 576 18.202 6.744 0.205 219 H GLU 577 HN GLU 577 21.372 7.058 -2.750 220 HA GLU 577 HA GLU 577 23.373 6.634 -0.778 221 HB2 GLU 577 HB2 GLU 577 23.477 8.244 -3.330 222 HB3 GLU 577 HB3 GLU 577 24.859 7.645 -2.418 223 HG2 GLU 577 HG2 GLU 577 24.317 5.385 -2.926 224 HG3 GLU 577 HG3 GLU 577 22.765 5.849 -3.616 225 H GLU 578 HN GLU 578 21.252 9.251 -1.517 226 HA GLU 578 HA GLU 578 22.975 11.302 -0.482 227 HB2 GLU 578 HB2 GLU 578 20.987 11.447 -2.216 228 HB3 GLU 578 HB3 GLU 578 20.033 11.716 -0.761 229 HG2 GLU 578 HG2 GLU 578 20.716 13.818 -1.772 230 HG3 GLU 578 HG3 GLU 578 21.432 13.612 -0.173 231 H SER 579 HN SER 579 20.309 9.357 0.773 232 HA SER 579 HA SER 579 20.592 10.687 3.375 233 HB2 SER 579 HB2 SER 579 18.592 9.379 4.032 234 HB3 SER 579 HB3 SER 579 18.294 10.375 2.606 235 HG SER 579 HG SER 579 18.078 8.643 1.408 236 H GLY 580 HN GLY 580 21.451 7.845 1.680 237 HA2 GLY 580 HA2 GLY 580 23.063 6.296 2.269 238 HA3 GLY 580 HA3 GLY 580 23.111 6.998 3.876 239 H GLU 581 HN GLU 581 20.082 5.948 2.478 240 HA GLU 581 HA GLU 581 20.238 3.416 3.946 241 HB2 GLU 581 HB2 GLU 581 18.001 5.419 4.279 242 HB3 GLU 581 HB3 GLU 581 17.984 3.779 4.904 243 HG2 GLU 581 HG2 GLU 581 20.311 4.713 5.937 244 HG3 GLU 581 HG3 GLU 581 19.314 6.168 5.927 245 H TRP 582 HN TRP 582 18.512 1.893 3.370 246 HA TRP 582 HA TRP 582 17.822 2.055 0.554 247 HB2 TRP 582 HB2 TRP 582 17.348 -0.090 2.629 248 HB3 TRP 582 HB3 TRP 582 16.888 -0.239 0.935 249 HD1 TRP 582 HD1 TRP 582 20.027 -0.088 3.168 250 HE1 TRP 582 HE1 TRP 582 21.985 -1.146 1.867 251 HE3 TRP 582 HE3 TRP 582 17.723 -0.758 -1.335 252 HZ2 TRP 582 HZ2 TRP 582 22.485 -2.120 -0.745 253 HZ3 TRP 582 HZ3 TRP 582 19.003 -1.749 -3.184 254 HH2 TRP 582 HH2 TRP 582 21.330 -2.415 -2.895 255 H VAL 583 HN VAL 583 15.796 2.379 -0.258 256 HA VAL 583 HA VAL 583 13.784 3.191 1.743 257 HB VAL 583 HB VAL 583 13.024 4.910 0.240 258 HG11 VAL 583 HG11 VAL 583 16.031 4.964 0.464 259 HG12 VAL 583 HG12 VAL 583 14.886 5.469 1.708 260 HG13 VAL 583 HG13 VAL 583 14.989 6.361 0.189 261 HG21 VAL 583 HG21 VAL 583 13.328 3.819 -1.884 262 HG22 VAL 583 HG22 VAL 583 15.081 3.844 -1.691 263 HG23 VAL 583 HG23 VAL 583 14.195 5.355 -1.898 264 H TRP 584 HN TRP 584 11.817 2.316 1.672 265 HA TRP 584 HA TRP 584 10.865 1.173 -0.873 266 HB2 TRP 584 HB2 TRP 584 10.218 0.506 1.989 267 HB3 TRP 584 HB3 TRP 584 9.024 0.203 0.732 268 HD1 TRP 584 HD1 TRP 584 12.095 -0.472 -0.959 269 HE1 TRP 584 HE1 TRP 584 12.727 -2.951 -0.915 270 HE3 TRP 584 HE3 TRP 584 8.988 -1.998 2.780 271 HZ2 TRP 584 HZ2 TRP 584 12.021 -5.261 0.537 272 HZ3 TRP 584 HZ3 TRP 584 9.029 -4.367 3.449 273 HH2 TRP 584 HH2 TRP 584 10.512 -5.964 2.350 274 H LYS 585 HN LYS 585 9.797 2.758 -1.924 275 HA LYS 585 HA LYS 585 8.446 4.824 -0.391 276 HB2 LYS 585 HB2 LYS 585 8.519 6.167 -2.283 277 HB3 LYS 585 HB3 LYS 585 9.990 5.223 -2.422 278 HG2 LYS 585 HG2 LYS 585 7.419 4.762 -3.921 279 HG3 LYS 585 HG3 LYS 585 8.905 5.448 -4.570 280 HD2 LYS 585 HD2 LYS 585 10.057 3.329 -4.194 281 HD3 LYS 585 HD3 LYS 585 8.591 2.646 -3.489 282 HE2 LYS 585 HE2 LYS 585 9.096 3.453 -6.343 283 HE3 LYS 585 HE3 LYS 585 8.637 1.868 -5.719 284 HZ1 LYS 585 HZ1 LYS 585 6.692 2.738 -6.649 285 HZ2 LYS 585 HZ2 LYS 585 6.960 4.289 -6.023 286 HZ3 LYS 585 HZ3 LYS 585 6.502 3.029 -4.992 287 H ASN 586 HN ASN 586 6.276 5.494 -0.803 288 HA ASN 586 HA ASN 586 4.061 5.033 -0.652 289 HB2 ASN 586 HB2 ASN 586 4.394 3.213 -3.058 290 HB3 ASN 586 HB3 ASN 586 2.964 4.078 -2.543 291 HD21 ASN 586 HD21 ASN 586 2.720 6.216 -3.019 292 HD22 ASN 586 HD22 ASN 586 3.736 7.062 -4.138 293 H THR 587 HN THR 587 5.503 3.523 1.092 294 HA THR 587 HA THR 587 4.247 0.866 0.915 295 HB THR 587 HB THR 587 7.082 1.411 1.820 296 HG1 THR 587 HG1 THR 587 6.529 1.474 -0.543 297 HG21 THR 587 HG21 THR 587 6.099 -0.466 3.015 298 HG22 THR 587 HG22 THR 587 7.283 -1.053 1.847 299 HG23 THR 587 HG23 THR 587 5.558 -1.181 1.499 300 H ILE 588 HN ILE 588 3.451 0.032 2.769 301 HA ILE 588 HA ILE 588 4.057 1.309 5.328 302 HB ILE 588 HB ILE 588 2.028 2.438 4.471 303 HG12 ILE 588 HG12 ILE 588 1.448 0.576 6.787 304 HG13 ILE 588 HG13 ILE 588 2.323 2.098 6.902 305 HG21 ILE 588 HG21 ILE 588 1.117 0.721 3.053 306 HG22 ILE 588 HG22 ILE 588 -0.082 1.152 4.271 307 HG23 ILE 588 HG23 ILE 588 0.846 -0.337 4.440 308 HD11 ILE 588 HD11 ILE 588 -0.557 1.770 6.102 309 HD12 ILE 588 HD12 ILE 588 0.313 3.299 6.186 310 HD13 ILE 588 HD13 ILE 588 0.038 2.364 7.653 311 H GLU 589 HN GLU 589 3.728 -0.093 7.125 312 HA GLU 589 HA GLU 589 3.328 -2.904 6.382 313 HB2 GLU 589 HB2 GLU 589 5.477 -2.237 7.511 314 HB3 GLU 589 HB3 GLU 589 4.534 -1.815 8.931 315 HG2 GLU 589 HG2 GLU 589 4.275 -4.566 7.805 316 HG3 GLU 589 HG3 GLU 589 5.728 -4.142 8.711 317 H VAL 590 HN VAL 590 1.449 -3.768 6.831 318 HA VAL 590 HA VAL 590 -0.076 -2.746 9.132 319 HB VAL 590 HB VAL 590 -1.273 -3.665 6.502 320 HG11 VAL 590 HG11 VAL 590 -2.638 -4.200 8.481 321 HG12 VAL 590 HG12 VAL 590 -3.402 -2.983 7.459 322 HG13 VAL 590 HG13 VAL 590 -2.598 -2.499 8.950 323 HG21 VAL 590 HG21 VAL 590 -1.987 -1.325 6.239 324 HG22 VAL 590 HG22 VAL 590 -0.230 -1.475 6.269 325 HG23 VAL 590 HG23 VAL 590 -1.094 -0.898 7.694 326 H ASN 591 HN ASN 591 -0.193 -4.246 10.612 327 HA ASN 591 HA ASN 591 -0.453 -6.205 11.685 328 HB2 ASN 591 HB2 ASN 591 -2.039 -6.795 9.225 329 HB3 ASN 591 HB3 ASN 591 -1.946 -7.916 10.571 330 HD21 ASN 591 HD21 ASN 591 -4.267 -6.554 9.523 331 HD22 ASN 591 HD22 ASN 591 -4.910 -5.600 10.816 332 H GLY 592 HN GLY 592 1.994 -5.938 10.456 333 HA2 GLY 592 HA2 GLY 592 3.826 -7.368 10.544 334 HA3 GLY 592 HA3 GLY 592 2.729 -8.741 10.525 335 H LYS 593 HN LYS 593 1.946 -6.563 8.114 336 HA LYS 593 HA LYS 593 3.560 -8.021 6.145 337 HB2 LYS 593 HB2 LYS 593 0.593 -7.461 5.975 338 HB3 LYS 593 HB3 LYS 593 1.565 -8.129 4.672 339 HG2 LYS 593 HG2 LYS 593 1.944 -10.137 5.848 340 HG3 LYS 593 HG3 LYS 593 1.334 -9.456 7.355 341 HD2 LYS 593 HD2 LYS 593 -0.415 -9.709 4.928 342 HD3 LYS 593 HD3 LYS 593 -0.180 -11.062 6.033 343 HE2 LYS 593 HE2 LYS 593 -2.147 -9.999 6.757 344 HE3 LYS 593 HE3 LYS 593 -0.896 -9.490 7.883 345 HZ1 LYS 593 HZ1 LYS 593 -0.730 -7.390 6.731 346 HZ2 LYS 593 HZ2 LYS 593 -2.340 -7.661 7.187 347 HZ3 LYS 593 HZ3 LYS 593 -1.872 -7.891 5.582 348 H TYR 594 HN TYR 594 4.339 -6.856 4.480 349 HA TYR 594 HA TYR 594 3.925 -3.975 4.613 350 HB2 TYR 594 HB2 TYR 594 6.011 -5.674 3.249 351 HB3 TYR 594 HB3 TYR 594 5.860 -3.946 2.954 352 HD1 TYR 594 HD1 TYR 594 6.519 -2.332 4.622 353 HD2 TYR 594 HD2 TYR 594 6.789 -6.506 5.407 354 HE1 TYR 594 HE1 TYR 594 7.950 -1.871 6.565 355 HE2 TYR 594 HE2 TYR 594 8.220 -6.055 7.354 356 HH TYR 594 HH TYR 594 8.613 -2.932 8.661 357 H PHE 595 HN PHE 595 2.875 -2.853 3.140 358 HA PHE 595 HA PHE 595 2.341 -4.026 0.498 359 HB2 PHE 595 HB2 PHE 595 0.246 -2.592 2.157 360 HB3 PHE 595 HB3 PHE 595 0.023 -3.254 0.547 361 HD1 PHE 595 HD1 PHE 595 -0.104 -5.701 0.229 362 HD2 PHE 595 HD2 PHE 595 0.077 -3.934 4.096 363 HE1 PHE 595 HE1 PHE 595 -0.949 -7.784 1.225 364 HE2 PHE 595 HE2 PHE 595 -0.759 -6.022 5.092 365 HZ PHE 595 HZ PHE 595 -1.272 -7.949 3.653 366 H HIS 596 HN HIS 596 1.950 -2.388 -1.123 367 HA HIS 596 HA HIS 596 3.033 0.192 -0.722 368 HB2 HIS 596 HB2 HIS 596 1.094 -0.882 -2.793 369 HB3 HIS 596 HB3 HIS 596 1.627 0.793 -2.791 370 HD2 HIS 596 HD2 HIS 596 4.793 0.365 -2.347 371 HE1 HIS 596 HE1 HIS 596 4.512 -2.062 -5.804 372 HE2 HIS 596 HE2 HIS 596 6.091 -0.907 -4.199 373 H SER 597 HN SER 597 2.164 1.923 0.273 374 HA SER 597 HA SER 597 -0.176 1.818 1.798 375 HB2 SER 597 HB2 SER 597 0.971 4.393 0.724 376 HB3 SER 597 HB3 SER 597 0.201 4.105 2.285 377 HG SER 597 HG SER 597 2.064 3.513 3.062 378 H THR 598 HN THR 598 0.447 2.912 -1.437 379 HA THR 598 HA THR 598 -2.004 4.021 -2.125 380 HB THR 598 HB THR 598 0.006 2.464 -3.778 381 HG1 THR 598 HG1 THR 598 0.232 4.901 -4.413 382 HG21 THR 598 HG21 THR 598 -0.982 3.546 -5.740 383 HG22 THR 598 HG22 THR 598 -2.214 4.291 -4.726 384 HG23 THR 598 HG23 THR 598 -2.179 2.540 -4.922 385 H CYS 599 HN CYS 599 -0.933 0.657 -2.027 386 HA CYS 599 HA CYS 599 -3.303 -0.406 -3.214 387 HB2 CYS 599 HB2 CYS 599 -1.123 -1.774 -1.637 388 HB3 CYS 599 HB3 CYS 599 -2.386 -2.593 -2.550 389 H TYR 600 HN TYR 600 -2.222 0.123 0.123 390 HA TYR 600 HA TYR 600 -4.150 -1.519 1.350 391 HB2 TYR 600 HB2 TYR 600 -2.231 -0.588 2.606 392 HB3 TYR 600 HB3 TYR 600 -2.930 1.023 2.463 393 HD1 TYR 600 HD1 TYR 600 -4.305 1.804 4.183 394 HD2 TYR 600 HD2 TYR 600 -3.771 -2.386 3.698 395 HE1 TYR 600 HE1 TYR 600 -5.642 1.404 6.211 396 HE2 TYR 600 HE2 TYR 600 -5.090 -2.802 5.726 397 HH TYR 600 HH TYR 600 -6.935 -0.327 7.261 398 H HIS 601 HN HIS 601 -4.243 1.759 0.150 399 HA HIS 601 HA HIS 601 -6.804 2.421 1.154 400 HB2 HIS 601 HB2 HIS 601 -5.067 4.038 0.325 401 HB3 HIS 601 HB3 HIS 601 -5.437 3.516 -1.313 402 HD2 HIS 601 HD2 HIS 601 -7.918 4.388 -2.319 403 HE1 HIS 601 HE1 HIS 601 -8.582 7.102 0.857 404 HE2 HIS 601 HE2 HIS 601 -9.211 6.498 -1.532 405 H GLU 602 HN GLU 602 -5.663 0.992 -1.902 406 HA GLU 602 HA GLU 602 -8.228 1.072 -3.128 407 HB2 GLU 602 HB2 GLU 602 -7.296 -0.104 -4.958 408 HB3 GLU 602 HB3 GLU 602 -6.058 0.995 -4.383 409 HG2 GLU 602 HG2 GLU 602 -4.910 -0.844 -3.273 410 HG3 GLU 602 HG3 GLU 602 -6.168 -1.962 -3.790 411 H THR 603 HN THR 603 -6.564 -1.362 -1.207 412 HA THR 603 HA THR 603 -8.455 -3.412 -1.853 413 HB THR 603 HB THR 603 -6.130 -3.949 -1.182 414 HG1 THR 603 HG1 THR 603 -8.355 -5.002 0.196 415 HG21 THR 603 HG21 THR 603 -7.037 -3.096 1.565 416 HG22 THR 603 HG22 THR 603 -5.828 -2.278 0.574 417 HG23 THR 603 HG23 THR 603 -5.517 -3.903 1.190 Start of MODEL 2 1 H GLY 548 HN GLY 548 3.032 9.339 2.077 2 HA2 GLY 548 HA2 GLY 548 5.019 9.871 1.005 3 HA3 GLY 548 HA3 GLY 548 5.154 11.300 2.021 4 H LYS 549 HN LYS 549 4.575 8.646 3.953 5 HA LYS 549 HA LYS 549 7.325 8.593 4.796 6 HB2 LYS 549 HB2 LYS 549 4.912 7.091 5.814 7 HB3 LYS 549 HB3 LYS 549 6.525 6.947 6.501 8 HG2 LYS 549 HG2 LYS 549 6.377 9.534 6.703 9 HG3 LYS 549 HG3 LYS 549 4.641 9.255 6.568 10 HD2 LYS 549 HD2 LYS 549 5.339 9.353 8.903 11 HD3 LYS 549 HD3 LYS 549 4.738 7.749 8.492 12 HE2 LYS 549 HE2 LYS 549 6.910 6.830 8.444 13 HE3 LYS 549 HE3 LYS 549 7.664 8.424 8.411 14 HZ1 LYS 549 HZ1 LYS 549 7.835 7.387 10.594 15 HZ2 LYS 549 HZ2 LYS 549 6.145 7.296 10.709 16 HZ3 LYS 549 HZ3 LYS 549 6.913 8.808 10.663 17 H TYR 550 HN TYR 550 8.764 7.026 4.532 18 HA TYR 550 HA TYR 550 8.039 4.794 2.769 19 HB2 TYR 550 HB2 TYR 550 10.202 4.848 1.863 20 HB3 TYR 550 HB3 TYR 550 9.782 6.543 2.022 21 HD1 TYR 550 HD1 TYR 550 11.944 3.855 3.191 22 HD2 TYR 550 HD2 TYR 550 10.895 7.941 3.721 23 HE1 TYR 550 HE1 TYR 550 14.018 4.208 4.458 24 HE2 TYR 550 HE2 TYR 550 12.964 8.311 4.998 25 HH TYR 550 HH TYR 550 15.523 6.115 5.045 26 H VAL 551 HN VAL 551 9.239 2.795 3.173 27 HA VAL 551 HA VAL 551 9.881 2.471 6.038 28 HB VAL 551 HB VAL 551 8.798 0.374 4.138 29 HG11 VAL 551 HG11 VAL 551 9.356 0.238 7.098 30 HG12 VAL 551 HG12 VAL 551 10.274 -0.569 5.828 31 HG13 VAL 551 HG13 VAL 551 8.599 -1.033 6.131 32 HG21 VAL 551 HG21 VAL 551 6.746 0.480 5.487 33 HG22 VAL 551 HG22 VAL 551 7.095 2.024 4.709 34 HG23 VAL 551 HG23 VAL 551 7.442 1.805 6.422 35 H VAL 552 HN VAL 552 11.819 1.635 6.536 36 HA VAL 552 HA VAL 552 13.845 1.606 4.561 37 HB VAL 552 HB VAL 552 13.988 0.576 7.397 38 HG11 VAL 552 HG11 VAL 552 16.389 0.953 7.202 39 HG12 VAL 552 HG12 VAL 552 16.181 1.480 5.531 40 HG13 VAL 552 HG13 VAL 552 15.836 -0.190 5.980 41 HG21 VAL 552 HG21 VAL 552 14.640 3.320 6.325 42 HG22 VAL 552 HG22 VAL 552 14.840 2.775 7.991 43 HG23 VAL 552 HG23 VAL 552 13.225 2.907 7.294 44 H VAL 553 HN VAL 553 14.677 -0.000 3.415 45 HA VAL 553 HA VAL 553 13.290 -2.397 3.050 46 HB VAL 553 HB VAL 553 16.147 -1.777 2.260 47 HG11 VAL 553 HG11 VAL 553 14.235 -3.861 1.211 48 HG12 VAL 553 HG12 VAL 553 15.678 -4.167 2.179 49 HG13 VAL 553 HG13 VAL 553 15.830 -3.506 0.550 50 HG21 VAL 553 HG21 VAL 553 13.562 -1.430 0.742 51 HG22 VAL 553 HG22 VAL 553 15.179 -1.186 0.082 52 HG23 VAL 553 HG23 VAL 553 14.588 -0.138 1.371 53 HA PRO 554 HA PRO 554 14.769 -4.785 6.516 54 HB2 PRO 554 HB2 PRO 554 13.646 -6.990 4.901 55 HB3 PRO 554 HB3 PRO 554 13.274 -6.517 6.560 56 HG2 PRO 554 HG2 PRO 554 11.552 -6.056 4.562 57 HG3 PRO 554 HG3 PRO 554 11.746 -4.909 5.902 58 HD2 PRO 554 HD2 PRO 554 12.803 -4.762 3.105 59 HD3 PRO 554 HD3 PRO 554 12.167 -3.469 4.144 60 H GLU 555 HN GLU 555 16.532 -6.126 6.851 61 HA GLU 555 HA GLU 555 18.658 -5.834 5.143 62 HB2 GLU 555 HB2 GLU 555 18.823 -6.466 7.526 63 HB3 GLU 555 HB3 GLU 555 18.276 -8.088 7.120 64 HG2 GLU 555 HG2 GLU 555 20.255 -8.376 5.702 65 HG3 GLU 555 HG3 GLU 555 20.811 -6.772 6.172 66 H THR 556 HN THR 556 16.609 -8.710 5.450 67 HA THR 556 HA THR 556 17.872 -9.763 3.023 68 HB THR 556 HB THR 556 16.867 -11.963 3.791 69 HG1 THR 556 HG1 THR 556 16.599 -11.820 6.254 70 HG21 THR 556 HG21 THR 556 18.901 -10.642 5.593 71 HG22 THR 556 HG22 THR 556 19.244 -11.421 4.051 72 HG23 THR 556 HG23 THR 556 18.655 -12.381 5.407 73 H SER 557 HN SER 557 14.713 -10.335 4.555 74 HA SER 557 HA SER 557 12.618 -10.562 3.725 75 HB2 SER 557 HB2 SER 557 12.933 -8.146 3.123 76 HB3 SER 557 HB3 SER 557 13.500 -8.652 1.533 77 HG SER 557 HG SER 557 11.492 -8.848 0.954 78 H GLN 558 HN GLN 558 14.033 -10.028 0.554 79 HA GLN 558 HA GLN 558 14.291 -12.870 0.023 80 HB2 GLN 558 HB2 GLN 558 12.466 -11.056 -1.580 81 HB3 GLN 558 HB3 GLN 558 13.058 -12.601 -2.168 82 HG2 GLN 558 HG2 GLN 558 11.376 -12.232 0.301 83 HG3 GLN 558 HG3 GLN 558 10.765 -12.711 -1.280 84 HE21 GLN 558 HE21 GLN 558 13.163 -14.328 -1.826 85 HE22 GLN 558 HE22 GLN 558 12.985 -15.769 -0.880 86 H ASP 559 HN ASP 559 13.949 -10.304 -2.317 87 HA ASP 559 HA ASP 559 16.873 -10.138 -2.603 88 HB2 ASP 559 HB2 ASP 559 16.483 -9.608 -5.007 89 HB3 ASP 559 HB3 ASP 559 15.936 -11.220 -4.570 90 H MET 560 HN MET 560 15.751 -8.620 -0.741 91 HA MET 560 HA MET 560 15.304 -6.543 0.045 92 HB2 MET 560 HB2 MET 560 16.813 -5.792 -2.460 93 HB3 MET 560 HB3 MET 560 16.276 -4.604 -1.279 94 HG2 MET 560 HG2 MET 560 17.596 -5.775 0.444 95 HG3 MET 560 HG3 MET 560 18.177 -6.890 -0.790 96 HE1 MET 560 HE1 MET 560 21.230 -4.516 0.154 97 HE2 MET 560 HE2 MET 560 20.637 -6.176 0.190 98 HE3 MET 560 HE3 MET 560 19.913 -4.956 1.238 99 H ALA 561 HN ALA 561 13.316 -7.870 -1.416 100 HA ALA 561 HA ALA 561 11.693 -5.642 -2.360 101 HB1 ALA 561 HB1 ALA 561 12.796 -6.552 -4.358 102 HB2 ALA 561 HB2 ALA 561 11.056 -6.832 -4.394 103 HB3 ALA 561 HB3 ALA 561 12.151 -8.152 -3.983 104 H PHE 562 HN PHE 562 9.405 -6.182 -2.462 105 HA PHE 562 HA PHE 562 8.635 -8.786 -1.349 106 HB2 PHE 562 HB2 PHE 562 7.033 -7.887 0.160 107 HB3 PHE 562 HB3 PHE 562 8.507 -6.978 0.449 108 HD1 PHE 562 HD1 PHE 562 5.083 -6.856 -0.773 109 HD2 PHE 562 HD2 PHE 562 8.650 -4.611 -0.176 110 HE1 PHE 562 HE1 PHE 562 3.809 -4.774 -1.042 111 HE2 PHE 562 HE2 PHE 562 7.378 -2.520 -0.447 112 HZ PHE 562 HZ PHE 562 4.948 -2.602 -0.875 113 H LYS 563 HN LYS 563 6.231 -9.188 -1.849 114 HA LYS 563 HA LYS 563 5.711 -8.014 -4.487 115 HB2 LYS 563 HB2 LYS 563 6.311 -10.420 -4.486 116 HB3 LYS 563 HB3 LYS 563 4.895 -10.749 -3.500 117 HG2 LYS 563 HG2 LYS 563 3.425 -10.330 -5.233 118 HG3 LYS 563 HG3 LYS 563 4.596 -9.350 -6.119 119 HD2 LYS 563 HD2 LYS 563 4.231 -11.534 -7.185 120 HD3 LYS 563 HD3 LYS 563 5.898 -11.329 -6.648 121 HE2 LYS 563 HE2 LYS 563 5.283 -12.587 -4.566 122 HE3 LYS 563 HE3 LYS 563 3.728 -12.941 -5.317 123 HZ1 LYS 563 HZ1 LYS 563 6.406 -13.770 -6.308 124 HZ2 LYS 563 HZ2 LYS 563 4.949 -14.024 -7.144 125 HZ3 LYS 563 HZ3 LYS 563 5.213 -14.773 -5.650 126 H CYS 564 HN CYS 564 3.993 -6.825 -4.700 127 HA CYS 564 HA CYS 564 2.170 -6.408 -2.520 128 HB2 CYS 564 HB2 CYS 564 2.901 -4.559 -3.928 129 HB3 CYS 564 HB3 CYS 564 2.275 -5.358 -5.361 130 HA PRO 565 HA PRO 565 -0.312 -9.846 -3.970 131 HB2 PRO 565 HB2 PRO 565 -2.000 -9.248 -1.648 132 HB3 PRO 565 HB3 PRO 565 -1.053 -10.696 -1.999 133 HG2 PRO 565 HG2 PRO 565 -0.333 -9.001 -0.059 134 HG3 PRO 565 HG3 PRO 565 0.871 -9.833 -1.060 135 HD2 PRO 565 HD2 PRO 565 -0.164 -7.022 -1.293 136 HD3 PRO 565 HD3 PRO 565 1.515 -7.611 -1.367 137 H ILE 566 HN ILE 566 -1.503 -6.620 -3.378 138 HA ILE 566 HA ILE 566 -4.234 -7.160 -3.949 139 HB ILE 566 HB ILE 566 -2.834 -4.493 -4.189 140 HG12 ILE 566 HG12 ILE 566 -3.976 -5.840 -1.729 141 HG13 ILE 566 HG13 ILE 566 -2.293 -5.412 -2.011 142 HG21 ILE 566 HG21 ILE 566 -5.090 -4.561 -5.090 143 HG22 ILE 566 HG22 ILE 566 -5.040 -3.595 -3.615 144 HG23 ILE 566 HG23 ILE 566 -5.693 -5.234 -3.574 145 HD11 ILE 566 HD11 ILE 566 -3.364 -3.860 -0.481 146 HD12 ILE 566 HD12 ILE 566 -4.553 -3.451 -1.718 147 HD13 ILE 566 HD13 ILE 566 -2.852 -3.058 -1.965 148 H CYS 567 HN CYS 567 -1.465 -6.092 -5.840 149 HA CYS 567 HA CYS 567 -3.090 -6.267 -8.271 150 HB2 CYS 567 HB2 CYS 567 -1.936 -4.284 -9.165 151 HB3 CYS 567 HB3 CYS 567 -2.870 -3.924 -7.716 152 H LYS 568 HN LYS 568 -0.564 -7.554 -6.698 153 HA LYS 568 HA LYS 568 0.949 -9.119 -7.305 154 HB2 LYS 568 HB2 LYS 568 -0.167 -8.705 -10.074 155 HB3 LYS 568 HB3 LYS 568 0.997 -9.949 -9.642 156 HG2 LYS 568 HG2 LYS 568 -0.628 -10.904 -8.069 157 HG3 LYS 568 HG3 LYS 568 -1.797 -9.672 -8.556 158 HD2 LYS 568 HD2 LYS 568 -2.181 -11.788 -9.739 159 HD3 LYS 568 HD3 LYS 568 -1.730 -10.495 -10.854 160 HE2 LYS 568 HE2 LYS 568 0.604 -11.330 -10.803 161 HE3 LYS 568 HE3 LYS 568 0.070 -12.669 -9.788 162 HZ1 LYS 568 HZ1 LYS 568 0.216 -13.346 -12.081 163 HZ2 LYS 568 HZ2 LYS 568 -0.828 -12.098 -12.560 164 HZ3 LYS 568 HZ3 LYS 568 -1.409 -13.363 -11.595 165 H GLU 569 HN GLU 569 1.692 -6.266 -7.268 166 HA GLU 569 HA GLU 569 3.749 -6.066 -9.315 167 HB2 GLU 569 HB2 GLU 569 3.230 -4.330 -6.896 168 HB3 GLU 569 HB3 GLU 569 4.377 -3.979 -8.175 169 HG2 GLU 569 HG2 GLU 569 2.615 -3.675 -9.753 170 HG3 GLU 569 HG3 GLU 569 1.407 -4.212 -8.583 171 H THR 570 HN THR 570 5.806 -6.839 -9.032 172 HA THR 570 HA THR 570 6.744 -7.559 -6.404 173 HB THR 570 HB THR 570 8.288 -7.414 -9.009 174 HG1 THR 570 HG1 THR 570 7.939 -9.824 -8.744 175 HG21 THR 570 HG21 THR 570 9.824 -8.969 -7.866 176 HG22 THR 570 HG22 THR 570 8.876 -8.794 -6.389 177 HG23 THR 570 HG23 THR 570 9.733 -7.405 -7.056 178 H VAL 571 HN VAL 571 7.535 -6.104 -5.039 179 HA VAL 571 HA VAL 571 8.047 -3.407 -6.056 180 HB VAL 571 HB VAL 571 7.729 -4.233 -3.178 181 HG11 VAL 571 HG11 VAL 571 7.342 -1.586 -4.564 182 HG12 VAL 571 HG12 VAL 571 8.717 -2.042 -3.556 183 HG13 VAL 571 HG13 VAL 571 7.109 -1.901 -2.844 184 HG21 VAL 571 HG21 VAL 571 5.557 -3.371 -5.086 185 HG22 VAL 571 HG22 VAL 571 5.370 -3.616 -3.349 186 HG23 VAL 571 HG23 VAL 571 5.757 -4.982 -4.396 187 H THR 572 HN THR 572 10.060 -2.862 -6.364 188 HA THR 572 HA THR 572 12.175 -4.080 -4.737 189 HB THR 572 HB THR 572 13.700 -3.127 -6.514 190 HG1 THR 572 HG1 THR 572 12.049 -1.600 -7.279 191 HG21 THR 572 HG21 THR 572 11.589 -5.078 -7.435 192 HG22 THR 572 HG22 THR 572 13.052 -5.479 -6.536 193 HG23 THR 572 HG23 THR 572 13.173 -4.849 -8.178 194 H GLY 573 HN GLY 573 13.968 -2.588 -4.098 195 HA2 GLY 573 HA2 GLY 573 12.887 0.103 -3.566 196 HA3 GLY 573 HA3 GLY 573 13.644 -0.858 -2.302 197 H VAL 574 HN VAL 574 14.481 1.684 -3.011 198 HA VAL 574 HA VAL 574 16.922 1.245 -4.595 199 HB VAL 574 HB VAL 574 15.417 3.833 -4.133 200 HG11 VAL 574 HG11 VAL 574 17.808 4.186 -4.457 201 HG12 VAL 574 HG12 VAL 574 16.886 4.771 -5.843 202 HG13 VAL 574 HG13 VAL 574 17.756 3.239 -5.946 203 HG21 VAL 574 HG21 VAL 574 14.780 3.672 -6.497 204 HG22 VAL 574 HG22 VAL 574 14.138 2.332 -5.549 205 HG23 VAL 574 HG23 VAL 574 15.542 2.084 -6.588 206 H TYR 575 HN TYR 575 18.878 1.991 -3.803 207 HA TYR 575 HA TYR 575 19.023 2.467 -0.972 208 HB2 TYR 575 HB2 TYR 575 20.795 1.183 -2.122 209 HB3 TYR 575 HB3 TYR 575 21.190 2.600 -3.088 210 HD1 TYR 575 HD1 TYR 575 23.114 3.655 -2.461 211 HD2 TYR 575 HD2 TYR 575 20.693 1.889 0.554 212 HE1 TYR 575 HE1 TYR 575 24.709 4.410 -0.746 213 HE2 TYR 575 HE2 TYR 575 22.279 2.637 2.283 214 HH TYR 575 HH TYR 575 24.683 4.918 1.713 215 H ASP 576 HN ASP 576 18.709 4.379 -0.087 216 HA ASP 576 HA ASP 576 18.782 6.767 -1.754 217 HB2 ASP 576 HB2 ASP 576 16.834 6.368 -0.288 218 HB3 ASP 576 HB3 ASP 576 17.896 6.395 1.115 219 H GLU 577 HN GLU 577 20.806 7.502 -1.990 220 HA GLU 577 HA GLU 577 22.854 7.079 -0.084 221 HB2 GLU 577 HB2 GLU 577 22.790 8.981 -2.426 222 HB3 GLU 577 HB3 GLU 577 24.227 8.516 -1.525 223 HG2 GLU 577 HG2 GLU 577 23.775 6.145 -2.204 224 HG3 GLU 577 HG3 GLU 577 22.501 6.757 -3.255 225 H GLU 578 HN GLU 578 20.491 9.548 -0.446 226 HA GLU 578 HA GLU 578 21.866 11.683 0.798 227 HB2 GLU 578 HB2 GLU 578 18.889 11.159 0.736 228 HB3 GLU 578 HB3 GLU 578 19.670 12.704 1.033 229 HG2 GLU 578 HG2 GLU 578 19.840 11.151 -1.538 230 HG3 GLU 578 HG3 GLU 578 18.763 12.508 -1.240 231 H SER 579 HN SER 579 19.645 9.210 2.055 232 HA SER 579 HA SER 579 20.287 10.015 4.791 233 HB2 SER 579 HB2 SER 579 18.529 8.366 5.412 234 HB3 SER 579 HB3 SER 579 17.942 9.602 4.299 235 HG SER 579 HG SER 579 18.101 8.124 2.612 236 H GLY 580 HN GLY 580 21.159 7.649 2.466 237 HA2 GLY 580 HA2 GLY 580 22.921 6.143 2.548 238 HA3 GLY 580 HA3 GLY 580 23.129 6.515 4.251 239 H GLU 581 HN GLU 581 19.967 5.649 3.165 240 HA GLU 581 HA GLU 581 20.359 2.880 4.081 241 HB2 GLU 581 HB2 GLU 581 18.076 4.694 4.908 242 HB3 GLU 581 HB3 GLU 581 18.213 2.984 5.304 243 HG2 GLU 581 HG2 GLU 581 20.323 3.496 6.511 244 HG3 GLU 581 HG3 GLU 581 20.025 5.207 6.215 245 H TRP 582 HN TRP 582 18.715 1.381 3.309 246 HA TRP 582 HA TRP 582 17.861 2.001 0.628 247 HB2 TRP 582 HB2 TRP 582 17.503 -0.461 2.339 248 HB3 TRP 582 HB3 TRP 582 16.962 -0.338 0.666 249 HD1 TRP 582 HD1 TRP 582 20.214 -0.392 2.743 250 HE1 TRP 582 HE1 TRP 582 22.129 -1.175 1.211 251 HE3 TRP 582 HE3 TRP 582 17.659 -0.614 -1.674 252 HZ2 TRP 582 HZ2 TRP 582 22.494 -1.819 -1.518 253 HZ3 TRP 582 HZ3 TRP 582 18.849 -1.332 -3.698 254 HH2 TRP 582 HH2 TRP 582 21.223 -1.926 -3.625 255 H VAL 583 HN VAL 583 15.802 2.323 -0.093 256 HA VAL 583 HA VAL 583 13.806 2.769 2.037 257 HB VAL 583 HB VAL 583 12.938 4.655 0.804 258 HG11 VAL 583 HG11 VAL 583 14.727 5.097 2.383 259 HG12 VAL 583 HG12 VAL 583 14.822 6.203 1.012 260 HG13 VAL 583 HG13 VAL 583 15.929 4.835 1.119 261 HG21 VAL 583 HG21 VAL 583 13.445 3.780 -1.449 262 HG22 VAL 583 HG22 VAL 583 15.143 4.197 -1.199 263 HG23 VAL 583 HG23 VAL 583 13.918 5.468 -1.238 264 H TRP 584 HN TRP 584 11.811 1.992 1.813 265 HA TRP 584 HA TRP 584 10.869 1.216 -0.869 266 HB2 TRP 584 HB2 TRP 584 10.083 0.270 1.888 267 HB3 TRP 584 HB3 TRP 584 8.988 0.085 0.522 268 HD1 TRP 584 HD1 TRP 584 12.066 -0.475 -1.131 269 HE1 TRP 584 HE1 TRP 584 12.743 -2.949 -1.202 270 HE3 TRP 584 HE3 TRP 584 8.966 -2.242 2.518 271 HZ2 TRP 584 HZ2 TRP 584 12.048 -5.344 0.121 272 HZ3 TRP 584 HZ3 TRP 584 9.033 -4.642 3.051 273 HH2 TRP 584 HH2 TRP 584 10.543 -6.162 1.880 274 H LYS 585 HN LYS 585 9.872 2.978 -1.721 275 HA LYS 585 HA LYS 585 8.536 4.855 0.064 276 HB2 LYS 585 HB2 LYS 585 8.773 5.140 -2.931 277 HB3 LYS 585 HB3 LYS 585 8.514 6.398 -1.726 278 HG2 LYS 585 HG2 LYS 585 11.052 4.794 -1.972 279 HG3 LYS 585 HG3 LYS 585 10.799 6.381 -2.702 280 HD2 LYS 585 HD2 LYS 585 10.511 5.842 0.251 281 HD3 LYS 585 HD3 LYS 585 12.020 6.368 -0.499 282 HE2 LYS 585 HE2 LYS 585 9.456 7.894 -0.844 283 HE3 LYS 585 HE3 LYS 585 10.514 8.162 0.541 284 HZ1 LYS 585 HZ1 LYS 585 11.114 8.621 -2.333 285 HZ2 LYS 585 HZ2 LYS 585 12.324 8.589 -1.143 286 HZ3 LYS 585 HZ3 LYS 585 11.099 9.756 -1.071 287 H ASN 586 HN ASN 586 6.385 5.604 -0.337 288 HA ASN 586 HA ASN 586 4.161 5.168 -0.308 289 HB2 ASN 586 HB2 ASN 586 4.581 3.602 -2.881 290 HB3 ASN 586 HB3 ASN 586 3.102 4.337 -2.308 291 HD21 ASN 586 HD21 ASN 586 2.776 5.556 -4.106 292 HD22 ASN 586 HD22 ASN 586 3.779 6.897 -4.538 293 H THR 587 HN THR 587 5.589 3.511 1.307 294 HA THR 587 HA THR 587 4.270 0.907 0.926 295 HB THR 587 HB THR 587 7.072 1.329 1.997 296 HG1 THR 587 HG1 THR 587 6.410 1.437 -0.448 297 HG21 THR 587 HG21 THR 587 7.230 -1.115 1.916 298 HG22 THR 587 HG22 THR 587 5.546 -1.210 1.401 299 HG23 THR 587 HG23 THR 587 5.944 -0.600 3.007 300 H ILE 588 HN ILE 588 3.387 -0.027 2.691 301 HA ILE 588 HA ILE 588 3.770 1.254 5.301 302 HB ILE 588 HB ILE 588 1.733 2.234 4.313 303 HG12 ILE 588 HG12 ILE 588 1.123 0.303 6.564 304 HG13 ILE 588 HG13 ILE 588 1.867 1.886 6.758 305 HG21 ILE 588 HG21 ILE 588 -0.239 0.833 3.885 306 HG22 ILE 588 HG22 ILE 588 0.731 -0.610 4.185 307 HG23 ILE 588 HG23 ILE 588 1.107 0.437 2.816 308 HD11 ILE 588 HD11 ILE 588 -0.481 1.958 7.326 309 HD12 ILE 588 HD12 ILE 588 -0.907 1.350 5.727 310 HD13 ILE 588 HD13 ILE 588 -0.157 2.936 5.896 311 H GLU 589 HN GLU 589 3.540 -0.174 7.051 312 HA GLU 589 HA GLU 589 3.403 -3.005 6.293 313 HB2 GLU 589 HB2 GLU 589 5.468 -2.199 7.430 314 HB3 GLU 589 HB3 GLU 589 4.501 -1.794 8.838 315 HG2 GLU 589 HG2 GLU 589 4.266 -4.570 7.863 316 HG3 GLU 589 HG3 GLU 589 5.829 -4.105 8.534 317 H VAL 590 HN VAL 590 1.655 -4.083 6.737 318 HA VAL 590 HA VAL 590 -0.022 -3.295 9.023 319 HB VAL 590 HB VAL 590 -1.089 -4.159 6.327 320 HG11 VAL 590 HG11 VAL 590 -2.503 -3.176 8.805 321 HG12 VAL 590 HG12 VAL 590 -2.497 -4.827 8.190 322 HG13 VAL 590 HG13 VAL 590 -3.273 -3.545 7.261 323 HG21 VAL 590 HG21 VAL 590 -0.135 -1.907 6.187 324 HG22 VAL 590 HG22 VAL 590 -1.111 -1.402 7.565 325 HG23 VAL 590 HG23 VAL 590 -1.893 -1.865 6.053 326 H ASN 591 HN ASN 591 -0.423 -4.965 10.324 327 HA ASN 591 HA ASN 591 -0.584 -7.063 11.181 328 HB2 ASN 591 HB2 ASN 591 -2.341 -7.150 9.306 329 HB3 ASN 591 HB3 ASN 591 -1.141 -8.044 8.377 330 HD21 ASN 591 HD21 ASN 591 -3.254 -8.098 11.132 331 HD22 ASN 591 HD22 ASN 591 -3.169 -9.801 11.414 332 H GLY 592 HN GLY 592 1.961 -6.070 10.270 333 HA2 GLY 592 HA2 GLY 592 4.111 -6.908 10.379 334 HA3 GLY 592 HA3 GLY 592 3.444 -8.533 10.413 335 H LYS 593 HN LYS 593 2.207 -6.689 7.872 336 HA LYS 593 HA LYS 593 4.093 -7.965 5.999 337 HB2 LYS 593 HB2 LYS 593 1.114 -7.618 5.608 338 HB3 LYS 593 HB3 LYS 593 2.220 -8.404 4.494 339 HG2 LYS 593 HG2 LYS 593 1.500 -9.356 7.253 340 HG3 LYS 593 HG3 LYS 593 0.925 -10.035 5.730 341 HD2 LYS 593 HD2 LYS 593 3.071 -10.847 5.174 342 HD3 LYS 593 HD3 LYS 593 3.845 -9.881 6.430 343 HE2 LYS 593 HE2 LYS 593 2.739 -11.207 8.149 344 HE3 LYS 593 HE3 LYS 593 1.932 -12.165 6.907 345 HZ1 LYS 593 HZ1 LYS 593 4.882 -11.963 7.065 346 HZ2 LYS 593 HZ2 LYS 593 3.945 -13.125 6.250 347 HZ3 LYS 593 HZ3 LYS 593 4.018 -13.126 7.942 348 H TYR 594 HN TYR 594 4.600 -6.816 4.132 349 HA TYR 594 HA TYR 594 4.108 -3.954 4.380 350 HB2 TYR 594 HB2 TYR 594 6.173 -5.485 2.788 351 HB3 TYR 594 HB3 TYR 594 6.021 -3.729 2.795 352 HD1 TYR 594 HD1 TYR 594 6.497 -2.451 4.852 353 HD2 TYR 594 HD2 TYR 594 7.201 -6.645 4.630 354 HE1 TYR 594 HE1 TYR 594 7.897 -2.323 6.869 355 HE2 TYR 594 HE2 TYR 594 8.598 -6.523 6.646 356 HH TYR 594 HH TYR 594 9.932 -4.821 7.857 357 H PHE 595 HN PHE 595 3.007 -2.799 2.958 358 HA PHE 595 HA PHE 595 2.331 -3.936 0.334 359 HB2 PHE 595 HB2 PHE 595 0.361 -2.582 2.195 360 HB3 PHE 595 HB3 PHE 595 0.014 -3.140 0.569 361 HD1 PHE 595 HD1 PHE 595 -0.379 -5.459 0.109 362 HD2 PHE 595 HD2 PHE 595 0.578 -4.154 4.044 363 HE1 PHE 595 HE1 PHE 595 -1.147 -7.615 1.007 364 HE2 PHE 595 HE2 PHE 595 -0.168 -6.318 4.948 365 HZ PHE 595 HZ PHE 595 -1.033 -8.054 3.425 366 H HIS 596 HN HIS 596 1.667 -2.262 -1.206 367 HA HIS 596 HA HIS 596 2.909 0.274 -0.911 368 HB2 HIS 596 HB2 HIS 596 0.796 -0.745 -2.822 369 HB3 HIS 596 HB3 HIS 596 1.390 0.907 -2.877 370 HD2 HIS 596 HD2 HIS 596 4.540 0.478 -2.746 371 HE1 HIS 596 HE1 HIS 596 3.935 -2.162 -5.999 372 HE2 HIS 596 HE2 HIS 596 5.582 -0.609 -4.858 373 H SER 597 HN SER 597 2.188 2.043 0.122 374 HA SER 597 HA SER 597 -0.162 2.048 1.686 375 HB2 SER 597 HB2 SER 597 1.254 4.533 0.721 376 HB3 SER 597 HB3 SER 597 0.380 4.292 2.237 377 HG SER 597 HG SER 597 2.023 2.918 2.919 378 H THR 598 HN THR 598 0.629 3.284 -1.470 379 HA THR 598 HA THR 598 -1.735 4.668 -2.033 380 HB THR 598 HB THR 598 0.208 3.262 -3.883 381 HG1 THR 598 HG1 THR 598 0.034 6.029 -3.313 382 HG21 THR 598 HG21 THR 598 -1.863 5.378 -4.509 383 HG22 THR 598 HG22 THR 598 -1.906 3.698 -5.048 384 HG23 THR 598 HG23 THR 598 -0.638 4.780 -5.629 385 H CYS 599 HN CYS 599 -0.821 1.284 -2.566 386 HA CYS 599 HA CYS 599 -3.215 0.644 -4.000 387 HB2 CYS 599 HB2 CYS 599 -1.074 -1.138 -2.836 388 HB3 CYS 599 HB3 CYS 599 -2.354 -1.667 -3.923 389 H TYR 600 HN TYR 600 -2.234 0.506 -0.656 390 HA TYR 600 HA TYR 600 -3.685 -1.708 0.199 391 HB2 TYR 600 HB2 TYR 600 -1.930 -0.675 1.545 392 HB3 TYR 600 HB3 TYR 600 -2.920 0.766 1.755 393 HD1 TYR 600 HD1 TYR 600 -4.357 0.940 3.571 394 HD2 TYR 600 HD2 TYR 600 -2.886 -2.885 2.459 395 HE1 TYR 600 HE1 TYR 600 -5.343 -0.021 5.604 396 HE2 TYR 600 HE2 TYR 600 -3.870 -3.864 4.487 397 HH TYR 600 HH TYR 600 -4.566 -3.103 6.740 398 H HIS 601 HN HIS 601 -4.758 1.626 -0.210 399 HA HIS 601 HA HIS 601 -7.036 1.431 1.427 400 HB2 HIS 601 HB2 HIS 601 -6.217 3.352 -0.717 401 HB3 HIS 601 HB3 HIS 601 -7.829 3.439 -0.007 402 HD2 HIS 601 HD2 HIS 601 -7.013 2.870 3.084 403 HE1 HIS 601 HE1 HIS 601 -4.579 6.292 2.578 404 HE2 HIS 601 HE2 HIS 601 -5.789 4.833 4.266 405 H GLU 602 HN GLU 602 -6.526 0.396 -1.871 406 HA GLU 602 HA GLU 602 -9.287 0.419 -2.574 407 HB2 GLU 602 HB2 GLU 602 -8.712 -0.789 -4.540 408 HB3 GLU 602 HB3 GLU 602 -7.449 0.394 -4.256 409 HG2 GLU 602 HG2 GLU 602 -5.947 -1.312 -3.477 410 HG3 GLU 602 HG3 GLU 602 -7.228 -2.524 -3.534 411 H THR 603 HN THR 603 -7.318 -1.769 -0.773 412 HA THR 603 HA THR 603 -9.170 -3.982 -0.980 413 HB THR 603 HB THR 603 -6.845 -3.542 0.911 414 HG1 THR 603 HG1 THR 603 -6.879 -4.114 -1.684 415 HG21 THR 603 HG21 THR 603 -6.945 -5.959 1.287 416 HG22 THR 603 HG22 THR 603 -8.383 -6.062 0.272 417 HG23 THR 603 HG23 THR 603 -8.437 -5.170 1.795 Start of MODEL 3 1 H GLY 548 HN GLY 548 3.473 9.534 1.112 2 HA2 GLY 548 HA2 GLY 548 4.942 9.347 -0.751 3 HA3 GLY 548 HA3 GLY 548 5.448 11.010 -0.485 4 H LYS 549 HN LYS 549 5.321 9.595 2.479 5 HA LYS 549 HA LYS 549 8.169 9.416 2.621 6 HB2 LYS 549 HB2 LYS 549 6.019 8.987 4.682 7 HB3 LYS 549 HB3 LYS 549 7.726 8.735 5.027 8 HG2 LYS 549 HG2 LYS 549 6.395 11.311 4.204 9 HG3 LYS 549 HG3 LYS 549 7.148 10.926 5.758 10 HD2 LYS 549 HD2 LYS 549 9.311 10.655 4.612 11 HD3 LYS 549 HD3 LYS 549 8.551 11.122 3.092 12 HE2 LYS 549 HE2 LYS 549 9.682 13.035 3.975 13 HE3 LYS 549 HE3 LYS 549 7.946 13.298 4.151 14 HZ1 LYS 549 HZ1 LYS 549 8.056 13.119 6.406 15 HZ2 LYS 549 HZ2 LYS 549 9.601 13.754 6.114 16 HZ3 LYS 549 HZ3 LYS 549 9.405 12.095 6.391 17 H TYR 550 HN TYR 550 9.347 7.638 3.387 18 HA TYR 550 HA TYR 550 8.372 5.147 2.164 19 HB2 TYR 550 HB2 TYR 550 10.631 4.753 1.399 20 HB3 TYR 550 HB3 TYR 550 10.136 6.363 0.881 21 HD1 TYR 550 HD1 TYR 550 12.449 4.455 2.959 22 HD2 TYR 550 HD2 TYR 550 11.078 8.360 1.982 23 HE1 TYR 550 HE1 TYR 550 14.456 5.420 4.005 24 HE2 TYR 550 HE2 TYR 550 13.073 9.333 3.032 25 HH TYR 550 HH TYR 550 15.791 7.585 3.802 26 H VAL 551 HN VAL 551 9.397 3.196 2.951 27 HA VAL 551 HA VAL 551 10.273 3.394 5.763 28 HB VAL 551 HB VAL 551 8.874 1.067 4.412 29 HG11 VAL 551 HG11 VAL 551 10.389 0.285 6.119 30 HG12 VAL 551 HG12 VAL 551 8.731 0.127 6.695 31 HG13 VAL 551 HG13 VAL 551 9.740 1.449 7.277 32 HG21 VAL 551 HG21 VAL 551 7.334 2.917 4.756 33 HG22 VAL 551 HG22 VAL 551 7.819 3.034 6.448 34 HG23 VAL 551 HG23 VAL 551 6.971 1.598 5.872 35 H VAL 552 HN VAL 552 12.182 2.462 6.274 36 HA VAL 552 HA VAL 552 14.056 2.021 4.214 37 HB VAL 552 HB VAL 552 14.252 1.273 7.147 38 HG11 VAL 552 HG11 VAL 552 16.418 1.666 5.083 39 HG12 VAL 552 HG12 VAL 552 15.924 0.125 5.785 40 HG13 VAL 552 HG13 VAL 552 16.679 1.357 6.800 41 HG21 VAL 552 HG21 VAL 552 15.413 3.410 7.408 42 HG22 VAL 552 HG22 VAL 552 13.771 3.647 6.809 43 HG23 VAL 552 HG23 VAL 552 15.138 3.769 5.702 44 H VAL 553 HN VAL 553 14.812 0.207 3.267 45 HA VAL 553 HA VAL 553 13.189 -2.069 3.137 46 HB VAL 553 HB VAL 553 16.094 -1.798 2.338 47 HG11 VAL 553 HG11 VAL 553 14.034 -3.835 1.490 48 HG12 VAL 553 HG12 VAL 553 15.410 -4.140 2.550 49 HG13 VAL 553 HG13 VAL 553 15.678 -3.700 0.864 50 HG21 VAL 553 HG21 VAL 553 13.557 -1.434 0.748 51 HG22 VAL 553 HG22 VAL 553 15.186 -1.434 0.075 52 HG23 VAL 553 HG23 VAL 553 14.700 -0.169 1.207 53 HA PRO 554 HA PRO 554 14.233 -4.017 6.988 54 HB2 PRO 554 HB2 PRO 554 13.083 -6.360 5.586 55 HB3 PRO 554 HB3 PRO 554 12.634 -5.650 7.138 56 HG2 PRO 554 HG2 PRO 554 11.110 -5.332 4.966 57 HG3 PRO 554 HG3 PRO 554 11.299 -4.037 6.164 58 HD2 PRO 554 HD2 PRO 554 12.520 -4.317 3.454 59 HD3 PRO 554 HD3 PRO 554 11.982 -2.857 4.307 60 H GLU 555 HN GLU 555 15.825 -5.268 7.747 61 HA GLU 555 HA GLU 555 17.916 -6.110 5.995 62 HB2 GLU 555 HB2 GLU 555 17.529 -6.631 8.948 63 HB3 GLU 555 HB3 GLU 555 19.033 -6.815 8.053 64 HG2 GLU 555 HG2 GLU 555 19.363 -4.551 7.859 65 HG3 GLU 555 HG3 GLU 555 17.648 -4.181 8.022 66 H THR 556 HN THR 556 15.095 -7.551 7.172 67 HA THR 556 HA THR 556 16.059 -10.254 6.581 68 HB THR 556 HB THR 556 13.848 -10.940 7.617 69 HG1 THR 556 HG1 THR 556 13.012 -9.180 9.041 70 HG21 THR 556 HG21 THR 556 15.784 -9.378 9.332 71 HG22 THR 556 HG22 THR 556 15.940 -11.073 8.867 72 HG23 THR 556 HG23 THR 556 14.622 -10.565 9.923 73 H SER 557 HN SER 557 15.298 -8.054 4.656 74 HA SER 557 HA SER 557 12.856 -8.870 3.420 75 HB2 SER 557 HB2 SER 557 13.746 -6.558 3.232 76 HB3 SER 557 HB3 SER 557 15.094 -7.174 2.285 77 HG SER 557 HG SER 557 12.570 -6.582 1.504 78 H GLN 558 HN GLN 558 12.604 -9.909 1.399 79 HA GLN 558 HA GLN 558 14.617 -11.963 0.939 80 HB2 GLN 558 HB2 GLN 558 11.855 -11.638 -0.251 81 HB3 GLN 558 HB3 GLN 558 12.885 -13.054 -0.409 82 HG2 GLN 558 HG2 GLN 558 11.724 -12.007 2.166 83 HG3 GLN 558 HG3 GLN 558 11.114 -13.376 1.246 84 HE21 GLN 558 HE21 GLN 558 13.782 -14.325 0.570 85 HE22 GLN 558 HE22 GLN 558 14.418 -15.041 2.007 86 H ASP 559 HN ASP 559 16.200 -10.804 -0.091 87 HA ASP 559 HA ASP 559 17.384 -9.988 -1.842 88 HB2 ASP 559 HB2 ASP 559 16.118 -11.912 -3.010 89 HB3 ASP 559 HB3 ASP 559 15.101 -10.651 -3.697 90 H MET 560 HN MET 560 15.695 -8.308 -0.305 91 HA MET 560 HA MET 560 15.077 -6.140 -0.164 92 HB2 MET 560 HB2 MET 560 16.604 -5.986 -2.759 93 HB3 MET 560 HB3 MET 560 15.920 -4.573 -1.972 94 HG2 MET 560 HG2 MET 560 18.215 -4.684 -1.393 95 HG3 MET 560 HG3 MET 560 17.282 -5.108 0.034 96 HE1 MET 560 HE1 MET 560 20.412 -5.597 -0.333 97 HE2 MET 560 HE2 MET 560 20.603 -7.220 0.327 98 HE3 MET 560 HE3 MET 560 19.557 -6.064 1.145 99 H ALA 561 HN ALA 561 13.282 -8.071 -1.496 100 HA ALA 561 HA ALA 561 11.537 -6.106 -2.759 101 HB1 ALA 561 HB1 ALA 561 12.252 -8.726 -4.090 102 HB2 ALA 561 HB2 ALA 561 12.768 -7.123 -4.614 103 HB3 ALA 561 HB3 ALA 561 11.061 -7.560 -4.668 104 H PHE 562 HN PHE 562 9.335 -6.671 -2.757 105 HA PHE 562 HA PHE 562 8.601 -9.288 -1.698 106 HB2 PHE 562 HB2 PHE 562 7.046 -8.478 -0.082 107 HB3 PHE 562 HB3 PHE 562 8.559 -7.644 0.231 108 HD1 PHE 562 HD1 PHE 562 5.106 -7.310 -0.875 109 HD2 PHE 562 HD2 PHE 562 8.765 -5.261 -0.174 110 HE1 PHE 562 HE1 PHE 562 3.909 -5.169 -0.923 111 HE2 PHE 562 HE2 PHE 562 7.573 -3.110 -0.228 112 HZ PHE 562 HZ PHE 562 5.141 -3.062 -0.601 113 H LYS 563 HN LYS 563 6.271 -9.766 -2.140 114 HA LYS 563 HA LYS 563 5.653 -8.617 -4.770 115 HB2 LYS 563 HB2 LYS 563 5.995 -11.079 -4.569 116 HB3 LYS 563 HB3 LYS 563 4.599 -11.158 -3.504 117 HG2 LYS 563 HG2 LYS 563 3.808 -11.807 -5.606 118 HG3 LYS 563 HG3 LYS 563 3.286 -10.133 -5.417 119 HD2 LYS 563 HD2 LYS 563 5.048 -9.346 -6.819 120 HD3 LYS 563 HD3 LYS 563 5.784 -10.946 -6.875 121 HE2 LYS 563 HE2 LYS 563 3.090 -10.200 -7.987 122 HE3 LYS 563 HE3 LYS 563 4.556 -10.460 -8.930 123 HZ1 LYS 563 HZ1 LYS 563 4.537 -12.765 -7.843 124 HZ2 LYS 563 HZ2 LYS 563 3.432 -12.462 -9.085 125 HZ3 LYS 563 HZ3 LYS 563 2.915 -12.439 -7.473 126 H CYS 564 HN CYS 564 4.016 -7.228 -4.964 127 HA CYS 564 HA CYS 564 2.206 -6.739 -2.777 128 HB2 CYS 564 HB2 CYS 564 3.066 -4.925 -4.205 129 HB3 CYS 564 HB3 CYS 564 2.259 -5.634 -5.598 130 HA PRO 565 HA PRO 565 -0.425 -10.057 -4.158 131 HB2 PRO 565 HB2 PRO 565 -2.254 -9.219 -2.033 132 HB3 PRO 565 HB3 PRO 565 -1.344 -10.720 -2.198 133 HG2 PRO 565 HG2 PRO 565 -0.743 -8.866 -0.345 134 HG3 PRO 565 HG3 PRO 565 0.492 -9.886 -1.099 135 HD2 PRO 565 HD2 PRO 565 -0.219 -7.036 -1.676 136 HD3 PRO 565 HD3 PRO 565 1.379 -7.807 -1.599 137 H ILE 566 HN ILE 566 -1.609 -6.779 -3.678 138 HA ILE 566 HA ILE 566 -4.225 -7.255 -4.677 139 HB ILE 566 HB ILE 566 -2.748 -4.619 -4.520 140 HG12 ILE 566 HG12 ILE 566 -4.574 -5.861 -2.449 141 HG13 ILE 566 HG13 ILE 566 -2.815 -5.929 -2.365 142 HG21 ILE 566 HG21 ILE 566 -4.976 -3.639 -4.410 143 HG22 ILE 566 HG22 ILE 566 -5.697 -5.243 -4.534 144 HG23 ILE 566 HG23 ILE 566 -4.779 -4.586 -5.887 145 HD11 ILE 566 HD11 ILE 566 -4.501 -3.432 -2.330 146 HD12 ILE 566 HD12 ILE 566 -2.739 -3.489 -2.259 147 HD13 ILE 566 HD13 ILE 566 -3.693 -4.175 -0.946 148 H CYS 567 HN CYS 567 -1.398 -5.617 -6.105 149 HA CYS 567 HA CYS 567 -2.745 -5.754 -8.706 150 HB2 CYS 567 HB2 CYS 567 -1.310 -3.850 -9.359 151 HB3 CYS 567 HB3 CYS 567 -2.340 -3.488 -7.978 152 H LYS 568 HN LYS 568 -0.454 -7.357 -7.040 153 HA LYS 568 HA LYS 568 0.871 -9.087 -7.640 154 HB2 LYS 568 HB2 LYS 568 -0.006 -8.570 -10.484 155 HB3 LYS 568 HB3 LYS 568 0.695 -10.051 -9.855 156 HG2 LYS 568 HG2 LYS 568 -1.999 -8.902 -9.154 157 HG3 LYS 568 HG3 LYS 568 -1.689 -10.315 -10.164 158 HD2 LYS 568 HD2 LYS 568 -0.687 -11.451 -8.220 159 HD3 LYS 568 HD3 LYS 568 -1.044 -10.034 -7.227 160 HE2 LYS 568 HE2 LYS 568 -3.088 -11.738 -8.658 161 HE3 LYS 568 HE3 LYS 568 -2.724 -11.801 -6.935 162 HZ1 LYS 568 HZ1 LYS 568 -3.441 -9.494 -6.744 163 HZ2 LYS 568 HZ2 LYS 568 -4.687 -10.470 -7.350 164 HZ3 LYS 568 HZ3 LYS 568 -3.823 -9.456 -8.398 165 H GLU 569 HN GLU 569 1.907 -6.315 -7.638 166 HA GLU 569 HA GLU 569 4.007 -6.512 -9.668 167 HB2 GLU 569 HB2 GLU 569 4.501 -4.191 -9.182 168 HB3 GLU 569 HB3 GLU 569 2.777 -4.368 -9.479 169 HG2 GLU 569 HG2 GLU 569 2.438 -4.446 -7.017 170 HG3 GLU 569 HG3 GLU 569 4.147 -4.060 -6.824 171 H THR 570 HN THR 570 6.069 -6.969 -9.146 172 HA THR 570 HA THR 570 6.756 -7.613 -6.428 173 HB THR 570 HB THR 570 8.502 -7.518 -8.901 174 HG1 THR 570 HG1 THR 570 8.055 -9.997 -8.033 175 HG21 THR 570 HG21 THR 570 9.023 -8.817 -6.216 176 HG22 THR 570 HG22 THR 570 9.807 -7.354 -6.809 177 HG23 THR 570 HG23 THR 570 10.081 -8.891 -7.630 178 H VAL 571 HN VAL 571 7.483 -6.187 -4.993 179 HA VAL 571 HA VAL 571 8.130 -3.481 -5.886 180 HB VAL 571 HB VAL 571 7.850 -4.433 -3.041 181 HG11 VAL 571 HG11 VAL 571 8.877 -2.260 -3.287 182 HG12 VAL 571 HG12 VAL 571 7.249 -2.071 -2.638 183 HG13 VAL 571 HG13 VAL 571 7.568 -1.725 -4.338 184 HG21 VAL 571 HG21 VAL 571 5.677 -3.454 -4.891 185 HG22 VAL 571 HG22 VAL 571 5.500 -3.720 -3.155 186 HG23 VAL 571 HG23 VAL 571 5.837 -5.080 -4.229 187 H THR 572 HN THR 572 10.181 -2.992 -6.220 188 HA THR 572 HA THR 572 12.264 -4.257 -4.582 189 HB THR 572 HB THR 572 13.810 -3.355 -6.367 190 HG1 THR 572 HG1 THR 572 12.599 -1.802 -7.362 191 HG21 THR 572 HG21 THR 572 11.660 -5.291 -7.246 192 HG22 THR 572 HG22 THR 572 13.138 -5.697 -6.376 193 HG23 THR 572 HG23 THR 572 13.234 -5.086 -8.026 194 H GLY 573 HN GLY 573 14.044 -2.819 -3.844 195 HA2 GLY 573 HA2 GLY 573 13.170 -0.015 -3.626 196 HA3 GLY 573 HA3 GLY 573 13.743 -0.901 -2.219 197 H VAL 574 HN VAL 574 14.849 1.489 -3.177 198 HA VAL 574 HA VAL 574 17.410 0.628 -4.359 199 HB VAL 574 HB VAL 574 16.192 3.398 -4.461 200 HG11 VAL 574 HG11 VAL 574 17.840 3.832 -6.204 201 HG12 VAL 574 HG12 VAL 574 18.481 2.199 -6.018 202 HG13 VAL 574 HG13 VAL 574 18.620 3.358 -4.696 203 HG21 VAL 574 HG21 VAL 574 15.652 2.929 -6.815 204 HG22 VAL 574 HG22 VAL 574 14.754 1.899 -5.700 205 HG23 VAL 574 HG23 VAL 574 16.138 1.250 -6.580 206 H TYR 575 HN TYR 575 19.312 1.489 -3.469 207 HA TYR 575 HA TYR 575 19.131 2.379 -0.723 208 HB2 TYR 575 HB2 TYR 575 20.919 0.814 -1.504 209 HB3 TYR 575 HB3 TYR 575 21.567 2.110 -2.507 210 HD1 TYR 575 HD1 TYR 575 23.370 3.240 -1.661 211 HD2 TYR 575 HD2 TYR 575 20.568 1.578 1.074 212 HE1 TYR 575 HE1 TYR 575 24.718 4.080 0.220 213 HE2 TYR 575 HE2 TYR 575 21.916 2.395 2.964 214 HH TYR 575 HH TYR 575 24.247 3.069 3.427 215 H ASP 576 HN ASP 576 18.878 4.445 -0.210 216 HA ASP 576 HA ASP 576 19.323 6.478 -2.250 217 HB2 ASP 576 HB2 ASP 576 17.204 6.533 -0.995 218 HB3 ASP 576 HB3 ASP 576 18.097 6.671 0.514 219 H GLU 577 HN GLU 577 21.351 7.126 -2.395 220 HA GLU 577 HA GLU 577 23.234 6.913 -0.287 221 HB2 GLU 577 HB2 GLU 577 23.335 8.297 -2.962 222 HB3 GLU 577 HB3 GLU 577 24.716 8.181 -1.875 223 HG2 GLU 577 HG2 GLU 577 24.855 5.861 -2.115 224 HG3 GLU 577 HG3 GLU 577 23.226 5.738 -2.779 225 H GLU 578 HN GLU 578 21.000 9.359 -1.147 226 HA GLU 578 HA GLU 578 22.409 11.634 -0.201 227 HB2 GLU 578 HB2 GLU 578 20.433 11.627 -1.773 228 HB3 GLU 578 HB3 GLU 578 19.416 11.261 -0.388 229 HG2 GLU 578 HG2 GLU 578 19.823 13.355 0.597 230 HG3 GLU 578 HG3 GLU 578 21.175 13.691 -0.484 231 H SER 579 HN SER 579 19.948 9.524 1.254 232 HA SER 579 HA SER 579 20.456 10.719 3.876 233 HB2 SER 579 HB2 SER 579 18.554 9.293 4.612 234 HB3 SER 579 HB3 SER 579 18.125 10.371 3.283 235 HG SER 579 HG SER 579 18.251 8.651 1.859 236 H GLY 580 HN GLY 580 21.216 7.938 2.010 237 HA2 GLY 580 HA2 GLY 580 22.832 6.321 2.424 238 HA3 GLY 580 HA3 GLY 580 22.997 6.932 4.060 239 H GLU 581 HN GLU 581 19.906 5.993 2.671 240 HA GLU 581 HA GLU 581 19.953 3.486 4.206 241 HB2 GLU 581 HB2 GLU 581 17.817 5.625 4.393 242 HB3 GLU 581 HB3 GLU 581 17.647 3.997 5.037 243 HG2 GLU 581 HG2 GLU 581 19.584 4.405 6.503 244 HG3 GLU 581 HG3 GLU 581 19.669 6.058 5.894 245 H TRP 582 HN TRP 582 18.466 1.882 3.454 246 HA TRP 582 HA TRP 582 17.825 2.044 0.650 247 HB2 TRP 582 HB2 TRP 582 17.185 -0.062 2.728 248 HB3 TRP 582 HB3 TRP 582 16.784 -0.216 1.017 249 HD1 TRP 582 HD1 TRP 582 19.828 -0.126 3.377 250 HE1 TRP 582 HE1 TRP 582 21.797 -1.305 2.198 251 HE3 TRP 582 HE3 TRP 582 17.680 -0.886 -1.191 252 HZ2 TRP 582 HZ2 TRP 582 22.353 -2.401 -0.345 253 HZ3 TRP 582 HZ3 TRP 582 18.986 -2.001 -2.945 254 HH2 TRP 582 HH2 TRP 582 21.281 -2.748 -2.533 255 H VAL 583 HN VAL 583 15.819 2.330 -0.276 256 HA VAL 583 HA VAL 583 13.746 3.225 1.628 257 HB VAL 583 HB VAL 583 13.012 4.873 0.013 258 HG11 VAL 583 HG11 VAL 583 15.999 4.987 0.410 259 HG12 VAL 583 HG12 VAL 583 14.770 5.526 1.555 260 HG13 VAL 583 HG13 VAL 583 14.956 6.352 0.009 261 HG21 VAL 583 HG21 VAL 583 15.240 3.889 -1.770 262 HG22 VAL 583 HG22 VAL 583 14.189 5.273 -2.084 263 HG23 VAL 583 HG23 VAL 583 13.513 3.644 -2.041 264 H TRP 584 HN TRP 584 11.857 2.188 1.613 265 HA TRP 584 HA TRP 584 10.805 1.229 -0.971 266 HB2 TRP 584 HB2 TRP 584 10.274 0.376 1.865 267 HB3 TRP 584 HB3 TRP 584 9.033 0.154 0.644 268 HD1 TRP 584 HD1 TRP 584 12.015 -0.453 -1.231 269 HE1 TRP 584 HE1 TRP 584 12.609 -2.948 -1.338 270 HE3 TRP 584 HE3 TRP 584 9.066 -2.127 2.581 271 HZ2 TRP 584 HZ2 TRP 584 11.919 -5.324 0.030 272 HZ3 TRP 584 HZ3 TRP 584 9.089 -4.527 3.125 273 HH2 TRP 584 HH2 TRP 584 10.483 -6.090 1.877 274 H LYS 585 HN LYS 585 9.718 2.933 -1.844 275 HA LYS 585 HA LYS 585 8.515 4.857 -0.046 276 HB2 LYS 585 HB2 LYS 585 8.172 6.219 -2.099 277 HB3 LYS 585 HB3 LYS 585 9.844 5.813 -1.764 278 HG2 LYS 585 HG2 LYS 585 9.710 5.510 -4.036 279 HG3 LYS 585 HG3 LYS 585 9.451 3.873 -3.437 280 HD2 LYS 585 HD2 LYS 585 7.104 4.022 -3.791 281 HD3 LYS 585 HD3 LYS 585 7.195 5.755 -4.113 282 HE2 LYS 585 HE2 LYS 585 8.491 3.628 -5.807 283 HE3 LYS 585 HE3 LYS 585 6.918 4.346 -6.145 284 HZ1 LYS 585 HZ1 LYS 585 8.705 5.383 -7.417 285 HZ2 LYS 585 HZ2 LYS 585 9.480 5.842 -5.978 286 HZ3 LYS 585 HZ3 LYS 585 7.967 6.489 -6.369 287 H ASN 586 HN ASN 586 6.406 5.655 -0.262 288 HA ASN 586 HA ASN 586 4.184 5.295 -0.006 289 HB2 ASN 586 HB2 ASN 586 4.283 3.802 -2.635 290 HB3 ASN 586 HB3 ASN 586 2.920 4.640 -1.926 291 HD21 ASN 586 HD21 ASN 586 3.993 4.989 -4.529 292 HD22 ASN 586 HD22 ASN 586 4.528 6.631 -4.651 293 H THR 587 HN THR 587 5.716 3.500 1.369 294 HA THR 587 HA THR 587 4.229 0.980 1.072 295 HB THR 587 HB THR 587 7.053 1.316 2.112 296 HG1 THR 587 HG1 THR 587 6.403 1.537 -0.316 297 HG21 THR 587 HG21 THR 587 7.131 -1.153 1.887 298 HG22 THR 587 HG22 THR 587 5.416 -1.145 1.477 299 HG23 THR 587 HG23 THR 587 5.941 -0.623 3.077 300 H ILE 588 HN ILE 588 3.369 0.065 2.883 301 HA ILE 588 HA ILE 588 3.862 1.333 5.481 302 HB ILE 588 HB ILE 588 1.838 2.404 4.593 303 HG12 ILE 588 HG12 ILE 588 1.223 0.412 6.793 304 HG13 ILE 588 HG13 ILE 588 1.981 1.988 7.012 305 HG21 ILE 588 HG21 ILE 588 0.743 -0.399 4.384 306 HG22 ILE 588 HG22 ILE 588 1.093 0.697 3.047 307 HG23 ILE 588 HG23 ILE 588 -0.202 1.076 4.183 308 HD11 ILE 588 HD11 ILE 588 -0.349 2.073 7.628 309 HD12 ILE 588 HD12 ILE 588 -0.817 1.464 6.041 310 HD13 ILE 588 HD13 ILE 588 -0.075 3.056 6.189 311 H GLU 589 HN GLU 589 3.769 -0.096 7.201 312 HA GLU 589 HA GLU 589 3.472 -2.912 6.464 313 HB2 GLU 589 HB2 GLU 589 5.541 -2.055 7.679 314 HB3 GLU 589 HB3 GLU 589 4.508 -1.809 9.077 315 HG2 GLU 589 HG2 GLU 589 4.486 -4.500 7.836 316 HG3 GLU 589 HG3 GLU 589 5.933 -4.016 8.713 317 H VAL 590 HN VAL 590 1.664 -3.915 6.894 318 HA VAL 590 HA VAL 590 0.012 -2.989 9.145 319 HB VAL 590 HB VAL 590 -1.029 -3.959 6.473 320 HG11 VAL 590 HG11 VAL 590 -2.464 -4.594 8.341 321 HG12 VAL 590 HG12 VAL 590 -3.231 -3.363 7.336 322 HG13 VAL 590 HG13 VAL 590 -2.511 -2.920 8.886 323 HG21 VAL 590 HG21 VAL 590 -0.116 -1.719 6.270 324 HG22 VAL 590 HG22 VAL 590 -1.039 -1.186 7.677 325 HG23 VAL 590 HG23 VAL 590 -1.876 -1.662 6.198 326 H ASN 591 HN ASN 591 -0.084 -4.508 10.609 327 HA ASN 591 HA ASN 591 -0.311 -6.489 11.674 328 HB2 ASN 591 HB2 ASN 591 -2.382 -6.467 10.177 329 HB3 ASN 591 HB3 ASN 591 -1.507 -7.578 9.127 330 HD21 ASN 591 HD21 ASN 591 -3.027 -9.214 9.502 331 HD22 ASN 591 HD22 ASN 591 -3.086 -10.083 10.993 332 H GLY 592 HN GLY 592 2.171 -5.991 10.387 333 HA2 GLY 592 HA2 GLY 592 4.120 -7.259 10.539 334 HA3 GLY 592 HA3 GLY 592 3.157 -8.726 10.499 335 H LYS 593 HN LYS 593 2.161 -6.705 8.027 336 HA LYS 593 HA LYS 593 4.078 -7.899 6.143 337 HB2 LYS 593 HB2 LYS 593 1.077 -7.797 5.881 338 HB3 LYS 593 HB3 LYS 593 2.148 -8.108 4.521 339 HG2 LYS 593 HG2 LYS 593 3.010 -10.097 5.664 340 HG3 LYS 593 HG3 LYS 593 1.914 -9.786 7.012 341 HD2 LYS 593 HD2 LYS 593 -0.001 -10.118 5.600 342 HD3 LYS 593 HD3 LYS 593 1.022 -10.227 4.165 343 HE2 LYS 593 HE2 LYS 593 2.034 -12.262 5.016 344 HE3 LYS 593 HE3 LYS 593 1.084 -12.142 6.495 345 HZ1 LYS 593 HZ1 LYS 593 -0.903 -12.563 5.311 346 HZ2 LYS 593 HZ2 LYS 593 0.216 -13.718 4.775 347 HZ3 LYS 593 HZ3 LYS 593 -0.146 -12.375 3.806 348 H TYR 594 HN TYR 594 4.726 -6.652 4.461 349 HA TYR 594 HA TYR 594 4.096 -3.813 4.688 350 HB2 TYR 594 HB2 TYR 594 6.243 -5.324 3.200 351 HB3 TYR 594 HB3 TYR 594 5.998 -3.590 3.015 352 HD1 TYR 594 HD1 TYR 594 6.594 -2.057 4.798 353 HD2 TYR 594 HD2 TYR 594 7.133 -6.246 5.269 354 HE1 TYR 594 HE1 TYR 594 8.020 -1.646 6.758 355 HE2 TYR 594 HE2 TYR 594 8.561 -5.845 7.231 356 HH TYR 594 HH TYR 594 8.744 -2.867 8.798 357 H PHE 595 HN PHE 595 2.852 -2.762 3.312 358 HA PHE 595 HA PHE 595 2.378 -3.884 0.630 359 HB2 PHE 595 HB2 PHE 595 0.241 -2.730 2.457 360 HB3 PHE 595 HB3 PHE 595 -0.001 -3.219 0.787 361 HD1 PHE 595 HD1 PHE 595 0.747 -5.738 0.311 362 HD2 PHE 595 HD2 PHE 595 -0.409 -4.181 4.093 363 HE1 PHE 595 HE1 PHE 595 0.166 -8.007 1.062 364 HE2 PHE 595 HE2 PHE 595 -0.991 -6.443 4.849 365 HZ PHE 595 HZ PHE 595 -0.708 -8.360 3.340 366 H HIS 596 HN HIS 596 1.625 -2.226 -0.907 367 HA HIS 596 HA HIS 596 2.835 0.320 -0.531 368 HB2 HIS 596 HB2 HIS 596 0.858 -0.667 -2.592 369 HB3 HIS 596 HB3 HIS 596 1.537 0.951 -2.613 370 HD2 HIS 596 HD2 HIS 596 4.634 0.362 -2.209 371 HE1 HIS 596 HE1 HIS 596 4.181 -2.275 -5.484 372 HE2 HIS 596 HE2 HIS 596 5.801 -0.808 -4.198 373 H SER 597 HN SER 597 2.054 2.095 0.357 374 HA SER 597 HA SER 597 -0.365 2.077 1.817 375 HB2 SER 597 HB2 SER 597 1.659 3.440 2.385 376 HB3 SER 597 HB3 SER 597 1.298 4.475 1.005 377 HG SER 597 HG SER 597 0.209 4.469 3.486 378 H THR 598 HN THR 598 0.553 3.200 -1.351 379 HA THR 598 HA THR 598 -1.780 4.620 -2.013 380 HB THR 598 HB THR 598 -0.213 3.034 -4.018 381 HG1 THR 598 HG1 THR 598 1.478 4.443 -3.853 382 HG21 THR 598 HG21 THR 598 -2.078 4.369 -4.828 383 HG22 THR 598 HG22 THR 598 -0.554 5.069 -5.379 384 HG23 THR 598 HG23 THR 598 -1.430 5.799 -4.031 385 H CYS 599 HN CYS 599 -0.837 1.251 -2.329 386 HA CYS 599 HA CYS 599 -3.179 0.389 -3.707 387 HB2 CYS 599 HB2 CYS 599 -1.046 -1.204 -2.280 388 HB3 CYS 599 HB3 CYS 599 -2.295 -1.887 -3.313 389 H TYR 600 HN TYR 600 -2.334 0.759 -0.363 390 HA TYR 600 HA TYR 600 -3.895 -1.212 0.821 391 HB2 TYR 600 HB2 TYR 600 -2.235 0.112 2.052 392 HB3 TYR 600 HB3 TYR 600 -3.238 1.549 1.891 393 HD1 TYR 600 HD1 TYR 600 -5.099 1.921 3.354 394 HD2 TYR 600 HD2 TYR 600 -2.964 -1.758 3.503 395 HE1 TYR 600 HE1 TYR 600 -6.230 1.357 5.462 396 HE2 TYR 600 HE2 TYR 600 -4.089 -2.332 5.616 397 HH TYR 600 HH TYR 600 -6.805 -0.645 6.753 398 H HIS 601 HN HIS 601 -4.816 1.971 -0.370 399 HA HIS 601 HA HIS 601 -7.398 2.089 0.756 400 HB2 HIS 601 HB2 HIS 601 -6.337 3.301 -1.809 401 HB3 HIS 601 HB3 HIS 601 -7.883 3.711 -1.075 402 HD2 HIS 601 HD2 HIS 601 -5.352 3.403 1.687 403 HE1 HIS 601 HE1 HIS 601 -5.322 7.457 0.494 404 HE2 HIS 601 HE2 HIS 601 -4.396 5.765 2.130 405 H GLU 602 HN GLU 602 -6.123 0.376 -1.982 406 HA GLU 602 HA GLU 602 -8.585 -0.154 -3.314 407 HB2 GLU 602 HB2 GLU 602 -6.443 -0.287 -4.473 408 HB3 GLU 602 HB3 GLU 602 -5.904 -1.559 -3.388 409 HG2 GLU 602 HG2 GLU 602 -6.480 -2.600 -5.408 410 HG3 GLU 602 HG3 GLU 602 -7.787 -2.961 -4.284 411 H THR 603 HN THR 603 -6.703 -1.815 -0.843 412 HA THR 603 HA THR 603 -8.441 -4.136 -0.943 413 HB THR 603 HB THR 603 -6.028 -4.492 -0.616 414 HG1 THR 603 HG1 THR 603 -7.993 -5.479 0.966 415 HG21 THR 603 HG21 THR 603 -6.410 -3.125 2.047 416 HG22 THR 603 HG22 THR 603 -5.523 -2.466 0.675 417 HG23 THR 603 HG23 THR 603 -4.939 -3.919 1.487 Start of MODEL 4 1 H GLY 548 HN GLY 548 3.133 9.187 1.680 2 HA2 GLY 548 HA2 GLY 548 5.160 9.700 0.682 3 HA3 GLY 548 HA3 GLY 548 5.311 11.084 1.755 4 H LYS 549 HN LYS 549 4.583 8.327 3.490 5 HA LYS 549 HA LYS 549 7.246 8.220 4.566 6 HB2 LYS 549 HB2 LYS 549 4.759 6.628 5.216 7 HB3 LYS 549 HB3 LYS 549 6.278 6.503 6.094 8 HG2 LYS 549 HG2 LYS 549 4.555 8.965 5.857 9 HG3 LYS 549 HG3 LYS 549 4.701 7.923 7.272 10 HD2 LYS 549 HD2 LYS 549 7.072 8.497 7.460 11 HD3 LYS 549 HD3 LYS 549 6.941 9.521 6.027 12 HE2 LYS 549 HE2 LYS 549 5.294 10.921 7.206 13 HE3 LYS 549 HE3 LYS 549 5.476 9.908 8.636 14 HZ1 LYS 549 HZ1 LYS 549 6.815 11.879 8.853 15 HZ2 LYS 549 HZ2 LYS 549 7.599 11.568 7.378 16 HZ3 LYS 549 HZ3 LYS 549 7.839 10.532 8.694 17 H TYR 550 HN TYR 550 8.779 6.815 4.098 18 HA TYR 550 HA TYR 550 8.120 4.482 2.445 19 HB2 TYR 550 HB2 TYR 550 10.349 4.521 1.587 20 HB3 TYR 550 HB3 TYR 550 9.735 6.162 1.481 21 HD1 TYR 550 HD1 TYR 550 12.180 3.962 3.082 22 HD2 TYR 550 HD2 TYR 550 10.642 7.926 2.911 23 HE1 TYR 550 HE1 TYR 550 14.141 4.776 4.328 24 HE2 TYR 550 HE2 TYR 550 12.591 8.749 4.161 25 HH TYR 550 HH TYR 550 14.269 7.821 5.763 26 H VAL 551 HN VAL 551 9.380 2.535 2.902 27 HA VAL 551 HA VAL 551 10.108 2.359 5.757 28 HB VAL 551 HB VAL 551 8.964 0.174 3.990 29 HG11 VAL 551 HG11 VAL 551 10.535 -0.695 5.649 30 HG12 VAL 551 HG12 VAL 551 8.879 -1.175 6.020 31 HG13 VAL 551 HG13 VAL 551 9.643 0.129 6.928 32 HG21 VAL 551 HG21 VAL 551 7.251 1.783 4.573 33 HG22 VAL 551 HG22 VAL 551 7.714 1.696 6.272 34 HG23 VAL 551 HG23 VAL 551 7.004 0.290 5.479 35 H VAL 552 HN VAL 552 12.085 1.582 6.204 36 HA VAL 552 HA VAL 552 14.035 1.497 4.170 37 HB VAL 552 HB VAL 552 14.212 0.517 7.026 38 HG11 VAL 552 HG11 VAL 552 16.395 1.207 5.066 39 HG12 VAL 552 HG12 VAL 552 15.996 -0.410 5.649 40 HG13 VAL 552 HG13 VAL 552 16.631 0.801 6.764 41 HG21 VAL 552 HG21 VAL 552 14.885 3.180 5.790 42 HG22 VAL 552 HG22 VAL 552 15.277 2.707 7.443 43 HG23 VAL 552 HG23 VAL 552 13.590 2.845 6.941 44 H VAL 553 HN VAL 553 14.807 -0.135 2.984 45 HA VAL 553 HA VAL 553 13.485 -2.592 2.787 46 HB VAL 553 HB VAL 553 16.289 -1.932 1.854 47 HG11 VAL 553 HG11 VAL 553 15.852 -4.346 1.948 48 HG12 VAL 553 HG12 VAL 553 16.019 -3.774 0.288 49 HG13 VAL 553 HG13 VAL 553 14.418 -4.118 0.948 50 HG21 VAL 553 HG21 VAL 553 13.635 -1.751 0.428 51 HG22 VAL 553 HG22 VAL 553 15.212 -1.525 -0.332 52 HG23 VAL 553 HG23 VAL 553 14.663 -0.402 0.913 53 HA PRO 554 HA PRO 554 14.902 -4.622 6.426 54 HB2 PRO 554 HB2 PRO 554 14.196 -7.047 4.863 55 HB3 PRO 554 HB3 PRO 554 13.634 -6.533 6.457 56 HG2 PRO 554 HG2 PRO 554 12.064 -6.353 4.294 57 HG3 PRO 554 HG3 PRO 554 12.010 -5.138 5.586 58 HD2 PRO 554 HD2 PRO 554 13.224 -4.969 2.866 59 HD3 PRO 554 HD3 PRO 554 12.458 -3.707 3.850 60 H GLU 555 HN GLU 555 16.792 -5.455 7.079 61 HA GLU 555 HA GLU 555 18.806 -5.991 5.041 62 HB2 GLU 555 HB2 GLU 555 19.355 -4.393 6.815 63 HB3 GLU 555 HB3 GLU 555 19.052 -5.620 8.037 64 HG2 GLU 555 HG2 GLU 555 21.435 -5.282 7.652 65 HG3 GLU 555 HG3 GLU 555 20.930 -6.918 7.244 66 H THR 556 HN THR 556 20.012 -7.857 4.934 67 HA THR 556 HA THR 556 20.153 -10.114 4.710 68 HB THR 556 HB THR 556 20.320 -11.366 6.895 69 HG1 THR 556 HG1 THR 556 19.018 -9.257 7.823 70 HG21 THR 556 HG21 THR 556 21.926 -8.831 6.610 71 HG22 THR 556 HG22 THR 556 22.264 -10.370 5.816 72 HG23 THR 556 HG23 THR 556 22.385 -10.234 7.572 73 H SER 557 HN SER 557 17.532 -9.189 4.254 74 HA SER 557 HA SER 557 15.842 -11.268 5.437 75 HB2 SER 557 HB2 SER 557 15.137 -8.856 5.601 76 HB3 SER 557 HB3 SER 557 14.985 -8.837 3.845 77 HG SER 557 HG SER 557 13.380 -10.387 4.000 78 H GLN 558 HN GLN 558 17.561 -12.282 3.701 79 HA GLN 558 HA GLN 558 17.694 -13.720 1.966 80 HB2 GLN 558 HB2 GLN 558 14.791 -13.056 1.454 81 HB3 GLN 558 HB3 GLN 558 15.689 -14.361 0.699 82 HG2 GLN 558 HG2 GLN 558 15.273 -14.163 3.668 83 HG3 GLN 558 HG3 GLN 558 14.165 -15.005 2.593 84 HE21 GLN 558 HE21 GLN 558 17.665 -14.997 2.192 85 HE22 GLN 558 HE22 GLN 558 17.887 -16.664 2.570 86 H ASP 559 HN ASP 559 15.568 -11.075 0.826 87 HA ASP 559 HA ASP 559 17.598 -10.342 -1.147 88 HB2 ASP 559 HB2 ASP 559 15.915 -12.072 -2.092 89 HB3 ASP 559 HB3 ASP 559 14.747 -10.760 -2.043 90 H MET 560 HN MET 560 16.016 -8.505 -2.580 91 HA MET 560 HA MET 560 15.527 -6.527 -0.438 92 HB2 MET 560 HB2 MET 560 16.607 -6.062 -3.224 93 HB3 MET 560 HB3 MET 560 16.352 -4.827 -2.001 94 HG2 MET 560 HG2 MET 560 18.106 -5.661 -0.658 95 HG3 MET 560 HG3 MET 560 18.224 -7.140 -1.610 96 HE1 MET 560 HE1 MET 560 19.722 -5.838 -4.979 97 HE2 MET 560 HE2 MET 560 18.026 -6.083 -4.573 98 HE3 MET 560 HE3 MET 560 19.233 -7.262 -4.057 99 H ALA 561 HN ALA 561 13.711 -8.376 -2.130 100 HA ALA 561 HA ALA 561 11.833 -6.297 -2.972 101 HB1 ALA 561 HB1 ALA 561 13.159 -6.855 -4.953 102 HB2 ALA 561 HB2 ALA 561 11.474 -7.341 -5.141 103 HB3 ALA 561 HB3 ALA 561 12.707 -8.550 -4.778 104 H PHE 562 HN PHE 562 9.714 -6.843 -2.857 105 HA PHE 562 HA PHE 562 8.959 -9.648 -2.425 106 HB2 PHE 562 HB2 PHE 562 7.468 -9.140 -0.637 107 HB3 PHE 562 HB3 PHE 562 8.973 -8.336 -0.217 108 HD1 PHE 562 HD1 PHE 562 5.472 -7.947 -0.959 109 HD2 PHE 562 HD2 PHE 562 9.144 -5.849 -0.497 110 HE1 PHE 562 HE1 PHE 562 4.229 -5.848 -0.701 111 HE2 PHE 562 HE2 PHE 562 7.902 -3.739 -0.226 112 HZ PHE 562 HZ PHE 562 5.440 -3.738 -0.330 113 H LYS 563 HN LYS 563 6.506 -9.897 -2.943 114 HA LYS 563 HA LYS 563 5.937 -7.999 -5.111 115 HB2 LYS 563 HB2 LYS 563 6.158 -10.382 -5.785 116 HB3 LYS 563 HB3 LYS 563 4.766 -10.759 -4.772 117 HG2 LYS 563 HG2 LYS 563 3.352 -9.329 -6.114 118 HG3 LYS 563 HG3 LYS 563 4.732 -8.823 -7.082 119 HD2 LYS 563 HD2 LYS 563 3.460 -11.552 -6.969 120 HD3 LYS 563 HD3 LYS 563 3.520 -10.440 -8.339 121 HE2 LYS 563 HE2 LYS 563 5.959 -10.683 -8.414 122 HE3 LYS 563 HE3 LYS 563 5.874 -11.824 -7.072 123 HZ1 LYS 563 HZ1 LYS 563 4.310 -13.130 -8.576 124 HZ2 LYS 563 HZ2 LYS 563 5.963 -13.155 -8.950 125 HZ3 LYS 563 HZ3 LYS 563 4.909 -12.168 -9.840 126 H CYS 564 HN CYS 564 4.206 -6.791 -5.141 127 HA CYS 564 HA CYS 564 2.586 -6.477 -2.801 128 HB2 CYS 564 HB2 CYS 564 3.210 -4.559 -4.143 129 HB3 CYS 564 HB3 CYS 564 2.516 -5.279 -5.584 130 HA PRO 565 HA PRO 565 -0.041 -9.845 -4.080 131 HB2 PRO 565 HB2 PRO 565 -1.844 -9.670 -2.038 132 HB3 PRO 565 HB3 PRO 565 -0.252 -10.417 -1.882 133 HG2 PRO 565 HG2 PRO 565 -1.144 -7.675 -1.108 134 HG3 PRO 565 HG3 PRO 565 -0.115 -8.814 -0.220 135 HD2 PRO 565 HD2 PRO 565 0.918 -6.737 -1.602 136 HD3 PRO 565 HD3 PRO 565 1.757 -8.297 -1.483 137 H ILE 566 HN ILE 566 -1.317 -6.624 -3.426 138 HA ILE 566 HA ILE 566 -3.994 -7.218 -4.167 139 HB ILE 566 HB ILE 566 -2.644 -4.520 -4.064 140 HG12 ILE 566 HG12 ILE 566 -4.040 -6.091 -1.879 141 HG13 ILE 566 HG13 ILE 566 -2.327 -5.693 -1.949 142 HG21 ILE 566 HG21 ILE 566 -5.550 -5.280 -3.814 143 HG22 ILE 566 HG22 ILE 566 -4.797 -4.509 -5.210 144 HG23 ILE 566 HG23 ILE 566 -4.888 -3.653 -3.671 145 HD11 ILE 566 HD11 ILE 566 -4.590 -3.747 -1.621 146 HD12 ILE 566 HD12 ILE 566 -2.888 -3.316 -1.753 147 HD13 ILE 566 HD13 ILE 566 -3.450 -4.266 -0.376 148 H CYS 567 HN CYS 567 -1.463 -5.300 -5.809 149 HA CYS 567 HA CYS 567 -2.983 -5.620 -8.305 150 HB2 CYS 567 HB2 CYS 567 -1.828 -3.611 -9.115 151 HB3 CYS 567 HB3 CYS 567 -2.710 -3.297 -7.625 152 H LYS 568 HN LYS 568 -0.426 -6.912 -6.755 153 HA LYS 568 HA LYS 568 1.048 -8.493 -7.366 154 HB2 LYS 568 HB2 LYS 568 -0.393 -8.266 -10.003 155 HB3 LYS 568 HB3 LYS 568 0.823 -9.491 -9.656 156 HG2 LYS 568 HG2 LYS 568 -0.507 -10.441 -7.924 157 HG3 LYS 568 HG3 LYS 568 -1.646 -9.100 -7.982 158 HD2 LYS 568 HD2 LYS 568 -2.327 -9.777 -10.231 159 HD3 LYS 568 HD3 LYS 568 -1.175 -11.115 -10.174 160 HE2 LYS 568 HE2 LYS 568 -3.503 -11.796 -9.640 161 HE3 LYS 568 HE3 LYS 568 -2.354 -12.128 -8.343 162 HZ1 LYS 568 HZ1 LYS 568 -4.374 -11.185 -7.454 163 HZ2 LYS 568 HZ2 LYS 568 -4.244 -9.833 -8.474 164 HZ3 LYS 568 HZ3 LYS 568 -3.102 -10.084 -7.247 165 H GLU 569 HN GLU 569 1.745 -5.642 -7.626 166 HA GLU 569 HA GLU 569 3.763 -5.523 -9.680 167 HB2 GLU 569 HB2 GLU 569 3.527 -3.919 -7.128 168 HB3 GLU 569 HB3 GLU 569 4.579 -3.546 -8.479 169 HG2 GLU 569 HG2 GLU 569 2.742 -2.961 -9.853 170 HG3 GLU 569 HG3 GLU 569 1.586 -3.621 -8.693 171 H THR 570 HN THR 570 5.785 -6.444 -9.541 172 HA THR 570 HA THR 570 6.785 -7.496 -7.084 173 HB THR 570 HB THR 570 8.304 -6.864 -9.628 174 HG1 THR 570 HG1 THR 570 7.728 -8.859 -10.313 175 HG21 THR 570 HG21 THR 570 9.886 -8.571 -8.816 176 HG22 THR 570 HG22 THR 570 8.951 -8.714 -7.326 177 HG23 THR 570 HG23 THR 570 9.777 -7.203 -7.711 178 H VAL 571 HN VAL 571 7.630 -6.307 -5.473 179 HA VAL 571 HA VAL 571 8.105 -3.477 -6.005 180 HB VAL 571 HB VAL 571 7.937 -4.851 -3.321 181 HG11 VAL 571 HG11 VAL 571 9.058 -2.710 -3.235 182 HG12 VAL 571 HG12 VAL 571 7.462 -2.582 -2.493 183 HG13 VAL 571 HG13 VAL 571 7.731 -1.948 -4.116 184 HG21 VAL 571 HG21 VAL 571 5.626 -4.038 -3.212 185 HG22 VAL 571 HG22 VAL 571 5.856 -5.194 -4.522 186 HG23 VAL 571 HG23 VAL 571 5.753 -3.470 -4.878 187 H THR 572 HN THR 572 10.096 -2.864 -6.359 188 HA THR 572 HA THR 572 12.291 -4.187 -4.921 189 HB THR 572 HB THR 572 13.757 -3.133 -6.695 190 HG1 THR 572 HG1 THR 572 11.756 -2.998 -8.542 191 HG21 THR 572 HG21 THR 572 11.695 -5.130 -7.629 192 HG22 THR 572 HG22 THR 572 13.177 -5.502 -6.748 193 HG23 THR 572 HG23 THR 572 13.265 -4.841 -8.381 194 H GLY 573 HN GLY 573 14.073 -2.700 -4.233 195 HA2 GLY 573 HA2 GLY 573 13.032 0.003 -3.682 196 HA3 GLY 573 HA3 GLY 573 13.731 -0.977 -2.399 197 H VAL 574 HN VAL 574 14.596 1.564 -3.192 198 HA VAL 574 HA VAL 574 17.170 1.020 -4.520 199 HB VAL 574 HB VAL 574 15.724 3.675 -4.320 200 HG11 VAL 574 HG11 VAL 574 18.143 3.880 -4.562 201 HG12 VAL 574 HG12 VAL 574 17.314 4.415 -6.023 202 HG13 VAL 574 HG13 VAL 574 18.098 2.836 -5.982 203 HG21 VAL 574 HG21 VAL 574 15.141 3.387 -6.671 204 HG22 VAL 574 HG22 VAL 574 14.446 2.101 -5.687 205 HG23 VAL 574 HG23 VAL 574 15.878 1.785 -6.666 206 H TYR 575 HN TYR 575 19.045 1.938 -3.586 207 HA TYR 575 HA TYR 575 18.864 2.430 -0.750 208 HB2 TYR 575 HB2 TYR 575 20.696 1.061 -1.594 209 HB3 TYR 575 HB3 TYR 575 21.228 2.379 -2.633 210 HD1 TYR 575 HD1 TYR 575 23.040 3.572 -1.921 211 HD2 TYR 575 HD2 TYR 575 20.475 1.843 0.997 212 HE1 TYR 575 HE1 TYR 575 24.492 4.448 -0.142 213 HE2 TYR 575 HE2 TYR 575 21.926 2.705 2.791 214 HH TYR 575 HH TYR 575 24.375 3.372 3.013 215 H ASP 576 HN ASP 576 18.473 4.394 0.048 216 HA ASP 576 HA ASP 576 19.141 6.735 -1.545 217 HB2 ASP 576 HB2 ASP 576 16.957 6.773 -0.504 218 HB3 ASP 576 HB3 ASP 576 17.670 6.492 1.086 219 H GLU 577 HN GLU 577 21.169 7.279 -1.449 220 HA GLU 577 HA GLU 577 22.959 6.663 0.629 221 HB2 GLU 577 HB2 GLU 577 23.221 8.826 -1.468 222 HB3 GLU 577 HB3 GLU 577 24.531 8.072 -0.570 223 HG2 GLU 577 HG2 GLU 577 24.056 5.938 -1.636 224 HG3 GLU 577 HG3 GLU 577 22.720 6.669 -2.522 225 H GLU 578 HN GLU 578 20.711 9.223 0.227 226 HA GLU 578 HA GLU 578 22.105 11.211 1.717 227 HB2 GLU 578 HB2 GLU 578 20.355 11.604 -0.048 228 HB3 GLU 578 HB3 GLU 578 19.155 11.065 1.119 229 HG2 GLU 578 HG2 GLU 578 19.329 12.954 2.380 230 HG3 GLU 578 HG3 GLU 578 20.998 13.264 1.889 231 H SER 579 HN SER 579 19.342 9.066 2.495 232 HA SER 579 HA SER 579 19.585 9.773 5.300 233 HB2 SER 579 HB2 SER 579 17.706 8.175 5.622 234 HB3 SER 579 HB3 SER 579 17.346 9.408 4.414 235 HG SER 579 HG SER 579 17.638 7.918 2.800 236 H GLY 580 HN GLY 580 20.895 7.478 3.165 237 HA2 GLY 580 HA2 GLY 580 22.646 6.016 3.580 238 HA3 GLY 580 HA3 GLY 580 22.470 6.350 5.297 239 H GLU 581 HN GLU 581 19.577 5.504 3.722 240 HA GLU 581 HA GLU 581 19.885 2.685 4.448 241 HB2 GLU 581 HB2 GLU 581 17.612 4.500 5.280 242 HB3 GLU 581 HB3 GLU 581 17.568 2.748 5.413 243 HG2 GLU 581 HG2 GLU 581 19.549 2.854 6.890 244 HG3 GLU 581 HG3 GLU 581 19.461 4.615 6.824 245 H TRP 582 HN TRP 582 18.450 1.260 3.368 246 HA TRP 582 HA TRP 582 17.809 2.016 0.690 247 HB2 TRP 582 HB2 TRP 582 17.073 -0.442 2.287 248 HB3 TRP 582 HB3 TRP 582 16.798 -0.253 0.561 249 HD1 TRP 582 HD1 TRP 582 19.675 -0.634 3.093 250 HE1 TRP 582 HE1 TRP 582 21.705 -1.619 1.853 251 HE3 TRP 582 HE3 TRP 582 17.832 -0.534 -1.670 252 HZ2 TRP 582 HZ2 TRP 582 22.427 -2.259 -0.796 253 HZ3 TRP 582 HZ3 TRP 582 19.254 -1.354 -3.502 254 HH2 TRP 582 HH2 TRP 582 21.508 -2.201 -3.072 255 H VAL 583 HN VAL 583 15.708 2.163 -0.259 256 HA VAL 583 HA VAL 583 13.631 2.831 1.725 257 HB VAL 583 HB VAL 583 12.863 4.640 0.338 258 HG11 VAL 583 HG11 VAL 583 14.597 5.212 1.904 259 HG12 VAL 583 HG12 VAL 583 14.842 6.130 0.417 260 HG13 VAL 583 HG13 VAL 583 15.846 4.721 0.757 261 HG21 VAL 583 HG21 VAL 583 15.086 3.940 -1.576 262 HG22 VAL 583 HG22 VAL 583 13.960 5.289 -1.727 263 HG23 VAL 583 HG23 VAL 583 13.373 3.628 -1.844 264 H TRP 584 HN TRP 584 11.774 1.793 1.557 265 HA TRP 584 HA TRP 584 10.814 0.992 -1.114 266 HB2 TRP 584 HB2 TRP 584 10.072 0.074 1.665 267 HB3 TRP 584 HB3 TRP 584 8.975 -0.160 0.311 268 HD1 TRP 584 HD1 TRP 584 12.020 -0.715 -1.377 269 HE1 TRP 584 HE1 TRP 584 12.743 -3.167 -1.393 270 HE3 TRP 584 HE3 TRP 584 9.077 -2.419 2.419 271 HZ2 TRP 584 HZ2 TRP 584 12.145 -5.534 0.037 272 HZ3 TRP 584 HZ3 TRP 584 9.214 -4.790 3.040 273 HH2 TRP 584 HH2 TRP 584 10.718 -6.319 1.873 274 H LYS 585 HN LYS 585 9.778 2.731 -1.980 275 HA LYS 585 HA LYS 585 8.538 4.674 -0.235 276 HB2 LYS 585 HB2 LYS 585 8.554 4.658 -3.255 277 HB3 LYS 585 HB3 LYS 585 8.181 6.013 -2.196 278 HG2 LYS 585 HG2 LYS 585 10.865 4.668 -2.390 279 HG3 LYS 585 HG3 LYS 585 10.422 6.170 -3.199 280 HD2 LYS 585 HD2 LYS 585 10.415 5.724 -0.216 281 HD3 LYS 585 HD3 LYS 585 11.681 6.552 -1.126 282 HE2 LYS 585 HE2 LYS 585 8.792 7.421 -0.990 283 HE3 LYS 585 HE3 LYS 585 10.096 8.104 -0.022 284 HZ1 LYS 585 HZ1 LYS 585 11.205 8.697 -2.157 285 HZ2 LYS 585 HZ2 LYS 585 9.740 9.517 -1.876 286 HZ3 LYS 585 HZ3 LYS 585 9.790 8.231 -2.972 287 H ASN 586 HN ASN 586 6.383 5.384 -0.402 288 HA ASN 586 HA ASN 586 4.156 5.019 -0.173 289 HB2 ASN 586 HB2 ASN 586 4.270 3.350 -2.699 290 HB3 ASN 586 HB3 ASN 586 2.910 4.227 -2.051 291 HD21 ASN 586 HD21 ASN 586 2.624 5.238 -4.027 292 HD22 ASN 586 HD22 ASN 586 3.632 6.543 -4.542 293 H THR 587 HN THR 587 5.684 3.356 1.341 294 HA THR 587 HA THR 587 4.299 0.765 1.118 295 HB THR 587 HB THR 587 7.110 1.224 2.139 296 HG1 THR 587 HG1 THR 587 6.474 1.278 -0.284 297 HG21 THR 587 HG21 THR 587 7.277 -1.225 2.152 298 HG22 THR 587 HG22 THR 587 5.588 -1.349 1.661 299 HG23 THR 587 HG23 THR 587 6.000 -0.672 3.237 300 H ILE 588 HN ILE 588 3.477 -0.119 2.936 301 HA ILE 588 HA ILE 588 3.810 1.294 5.481 302 HB ILE 588 HB ILE 588 1.818 2.261 4.393 303 HG12 ILE 588 HG12 ILE 588 1.084 0.451 6.701 304 HG13 ILE 588 HG13 ILE 588 1.876 2.014 6.855 305 HG21 ILE 588 HG21 ILE 588 -0.159 0.898 3.953 306 HG22 ILE 588 HG22 ILE 588 0.734 -0.552 4.413 307 HG23 ILE 588 HG23 ILE 588 1.217 0.366 2.986 308 HD11 ILE 588 HD11 ILE 588 -0.481 2.198 7.333 309 HD12 ILE 588 HD12 ILE 588 -0.872 1.521 5.752 310 HD13 ILE 588 HD13 ILE 588 -0.081 3.094 5.865 311 H GLU 589 HN GLU 589 3.619 -0.034 7.266 312 HA GLU 589 HA GLU 589 3.371 -2.887 6.702 313 HB2 GLU 589 HB2 GLU 589 5.357 -2.146 7.957 314 HB3 GLU 589 HB3 GLU 589 4.324 -1.470 9.205 315 HG2 GLU 589 HG2 GLU 589 4.105 -4.380 8.526 316 HG3 GLU 589 HG3 GLU 589 5.448 -3.803 9.519 317 H VAL 590 HN VAL 590 1.534 -3.840 6.990 318 HA VAL 590 HA VAL 590 -0.304 -2.857 9.071 319 HB VAL 590 HB VAL 590 -1.180 -3.937 6.378 320 HG11 VAL 590 HG11 VAL 590 -3.388 -3.143 7.061 321 HG12 VAL 590 HG12 VAL 590 -2.721 -2.622 8.608 322 HG13 VAL 590 HG13 VAL 590 -2.749 -4.335 8.193 323 HG21 VAL 590 HG21 VAL 590 -1.162 -1.077 7.337 324 HG22 VAL 590 HG22 VAL 590 -1.854 -1.654 5.823 325 HG23 VAL 590 HG23 VAL 590 -0.115 -1.753 6.091 326 H ASN 591 HN ASN 591 -0.659 -4.410 10.538 327 HA ASN 591 HA ASN 591 -0.814 -6.424 11.562 328 HB2 ASN 591 HB2 ASN 591 -1.653 -7.261 8.809 329 HB3 ASN 591 HB3 ASN 591 -1.705 -8.343 10.192 330 HD21 ASN 591 HD21 ASN 591 -3.264 -8.021 11.781 331 HD22 ASN 591 HD22 ASN 591 -4.614 -6.958 11.549 332 H GLY 592 HN GLY 592 1.743 -5.581 10.546 333 HA2 GLY 592 HA2 GLY 592 3.844 -6.522 10.774 334 HA3 GLY 592 HA3 GLY 592 3.096 -8.109 10.889 335 H LYS 593 HN LYS 593 2.062 -6.258 8.227 336 HA LYS 593 HA LYS 593 3.874 -7.777 6.478 337 HB2 LYS 593 HB2 LYS 593 0.954 -7.166 5.981 338 HB3 LYS 593 HB3 LYS 593 2.020 -8.056 4.898 339 HG2 LYS 593 HG2 LYS 593 1.218 -8.936 7.669 340 HG3 LYS 593 HG3 LYS 593 0.490 -9.504 6.165 341 HD2 LYS 593 HD2 LYS 593 2.581 -10.487 5.467 342 HD3 LYS 593 HD3 LYS 593 3.409 -9.800 6.867 343 HE2 LYS 593 HE2 LYS 593 1.145 -11.784 7.010 344 HE3 LYS 593 HE3 LYS 593 2.856 -12.205 7.128 345 HZ1 LYS 593 HZ1 LYS 593 1.755 -11.979 9.308 346 HZ2 LYS 593 HZ2 LYS 593 1.444 -10.344 8.974 347 HZ3 LYS 593 HZ3 LYS 593 3.042 -10.895 9.110 348 H TYR 594 HN TYR 594 4.714 -6.717 4.744 349 HA TYR 594 HA TYR 594 4.343 -3.837 4.704 350 HB2 TYR 594 HB2 TYR 594 6.317 -5.596 3.234 351 HB3 TYR 594 HB3 TYR 594 6.287 -3.836 3.167 352 HD1 TYR 594 HD1 TYR 594 6.425 -2.631 5.486 353 HD2 TYR 594 HD2 TYR 594 7.688 -6.634 4.806 354 HE1 TYR 594 HE1 TYR 594 7.837 -2.517 7.488 355 HE2 TYR 594 HE2 TYR 594 9.107 -6.532 6.810 356 HH TYR 594 HH TYR 594 8.872 -4.060 9.120 357 H PHE 595 HN PHE 595 3.031 -2.877 3.362 358 HA PHE 595 HA PHE 595 2.496 -4.115 0.739 359 HB2 PHE 595 HB2 PHE 595 0.415 -2.818 2.529 360 HB3 PHE 595 HB3 PHE 595 0.134 -3.393 0.893 361 HD1 PHE 595 HD1 PHE 595 -0.476 -4.100 4.151 362 HD2 PHE 595 HD2 PHE 595 1.028 -5.989 0.652 363 HE1 PHE 595 HE1 PHE 595 -1.133 -6.288 5.058 364 HE2 PHE 595 HE2 PHE 595 0.371 -8.182 1.553 365 HZ PHE 595 HZ PHE 595 -0.716 -8.334 3.749 366 H HIS 596 HN HIS 596 1.718 -2.547 -0.869 367 HA HIS 596 HA HIS 596 2.894 0.044 -0.665 368 HB2 HIS 596 HB2 HIS 596 0.991 -1.231 -2.636 369 HB3 HIS 596 HB3 HIS 596 1.357 0.485 -2.722 370 HD2 HIS 596 HD2 HIS 596 4.638 -0.139 -1.998 371 HE1 HIS 596 HE1 HIS 596 4.407 -1.767 -5.899 372 HE2 HIS 596 HE2 HIS 596 5.937 -0.757 -4.153 373 H SER 597 HN SER 597 2.059 1.817 0.230 374 HA SER 597 HA SER 597 -0.319 1.767 1.740 375 HB2 SER 597 HB2 SER 597 1.106 4.242 0.745 376 HB3 SER 597 HB3 SER 597 0.122 4.080 2.199 377 HG SER 597 HG SER 597 1.711 2.806 3.110 378 H THR 598 HN THR 598 0.414 2.714 -1.513 379 HA THR 598 HA THR 598 -1.905 4.205 -2.030 380 HB THR 598 HB THR 598 -0.042 4.487 -3.499 381 HG1 THR 598 HG1 THR 598 -2.082 4.696 -4.509 382 HG21 THR 598 HG21 THR 598 -0.347 1.567 -4.215 383 HG22 THR 598 HG22 THR 598 0.977 2.282 -3.296 384 HG23 THR 598 HG23 THR 598 0.754 2.705 -4.992 385 H CYS 599 HN CYS 599 -1.143 0.787 -2.263 386 HA CYS 599 HA CYS 599 -3.492 0.089 -3.743 387 HB2 CYS 599 HB2 CYS 599 -1.476 -1.649 -2.317 388 HB3 CYS 599 HB3 CYS 599 -2.713 -2.224 -3.431 389 H TYR 600 HN TYR 600 -2.620 0.160 -0.351 390 HA TYR 600 HA TYR 600 -4.282 -1.866 0.605 391 HB2 TYR 600 HB2 TYR 600 -2.499 -0.881 1.961 392 HB3 TYR 600 HB3 TYR 600 -3.377 0.643 2.040 393 HD1 TYR 600 HD1 TYR 600 -4.813 1.039 3.833 394 HD2 TYR 600 HD2 TYR 600 -3.736 -2.969 2.901 395 HE1 TYR 600 HE1 TYR 600 -6.006 0.256 5.833 396 HE2 TYR 600 HE2 TYR 600 -4.924 -3.757 4.902 397 HH TYR 600 HH TYR 600 -5.691 -2.907 7.064 398 H HIS 601 HN HIS 601 -5.018 1.449 -0.181 399 HA HIS 601 HA HIS 601 -7.345 1.801 1.328 400 HB2 HIS 601 HB2 HIS 601 -6.600 3.043 -1.325 401 HB3 HIS 601 HB3 HIS 601 -7.853 3.634 -0.234 402 HD2 HIS 601 HD2 HIS 601 -5.981 3.275 2.516 403 HE1 HIS 601 HE1 HIS 601 -3.556 6.117 0.519 404 HE2 HIS 601 HE2 HIS 601 -4.266 5.217 2.780 405 H GLU 602 HN GLU 602 -6.858 0.057 -1.646 406 HA GLU 602 HA GLU 602 -9.557 0.200 -2.538 407 HB2 GLU 602 HB2 GLU 602 -8.956 -1.315 -4.245 408 HB3 GLU 602 HB3 GLU 602 -7.536 -0.319 -3.986 409 HG2 GLU 602 HG2 GLU 602 -6.501 -2.322 -4.086 410 HG3 GLU 602 HG3 GLU 602 -6.915 -2.367 -2.373 411 H THR 603 HN THR 603 -7.844 -1.863 -0.305 412 HA THR 603 HA THR 603 -9.975 -3.849 -0.411 413 HB THR 603 HB THR 603 -7.503 -4.486 -0.277 414 HG1 THR 603 HG1 THR 603 -9.376 -5.878 0.159 415 HG21 THR 603 HG21 THR 603 -6.573 -4.679 1.995 416 HG22 THR 603 HG22 THR 603 -7.969 -3.807 2.629 417 HG23 THR 603 HG23 THR 603 -6.845 -2.995 1.541 Start of MODEL 5 1 H GLY 548 HN GLY 548 3.294 9.458 1.750 2 HA2 GLY 548 HA2 GLY 548 5.438 9.737 0.919 3 HA3 GLY 548 HA3 GLY 548 5.706 11.017 2.096 4 H LYS 549 HN LYS 549 4.429 8.212 3.445 5 HA LYS 549 HA LYS 549 6.780 7.731 4.966 6 HB2 LYS 549 HB2 LYS 549 4.154 6.265 4.750 7 HB3 LYS 549 HB3 LYS 549 5.436 5.774 5.849 8 HG2 LYS 549 HG2 LYS 549 4.080 8.470 5.869 9 HG3 LYS 549 HG3 LYS 549 3.706 7.124 6.952 10 HD2 LYS 549 HD2 LYS 549 5.884 7.205 7.920 11 HD3 LYS 549 HD3 LYS 549 6.443 8.352 6.703 12 HE2 LYS 549 HE2 LYS 549 4.922 10.040 7.572 13 HE3 LYS 549 HE3 LYS 549 4.302 8.889 8.754 14 HZ1 LYS 549 HZ1 LYS 549 7.168 9.609 8.631 15 HZ2 LYS 549 HZ2 LYS 549 6.322 8.881 9.908 16 HZ3 LYS 549 HZ3 LYS 549 6.057 10.517 9.530 17 H TYR 550 HN TYR 550 8.351 6.336 4.676 18 HA TYR 550 HA TYR 550 8.064 4.262 2.619 19 HB2 TYR 550 HB2 TYR 550 10.273 4.614 1.850 20 HB3 TYR 550 HB3 TYR 550 9.560 6.214 1.953 21 HD1 TYR 550 HD1 TYR 550 12.255 4.089 3.021 22 HD2 TYR 550 HD2 TYR 550 10.141 7.658 3.955 23 HE1 TYR 550 HE1 TYR 550 14.129 4.826 4.441 24 HE2 TYR 550 HE2 TYR 550 12.002 8.410 5.368 25 HH TYR 550 HH TYR 550 15.044 7.031 5.300 26 H VAL 551 HN VAL 551 9.453 2.394 2.992 27 HA VAL 551 HA VAL 551 10.105 2.027 5.850 28 HB VAL 551 HB VAL 551 9.196 -0.094 3.884 29 HG11 VAL 551 HG11 VAL 551 9.136 -1.587 5.824 30 HG12 VAL 551 HG12 VAL 551 9.759 -0.291 6.843 31 HG13 VAL 551 HG13 VAL 551 10.761 -0.957 5.556 32 HG21 VAL 551 HG21 VAL 551 7.365 1.387 4.516 33 HG22 VAL 551 HG22 VAL 551 7.734 1.129 6.222 34 HG23 VAL 551 HG23 VAL 551 7.158 -0.212 5.231 35 H VAL 552 HN VAL 552 12.158 1.427 6.293 36 HA VAL 552 HA VAL 552 14.136 1.458 4.262 37 HB VAL 552 HB VAL 552 14.338 0.386 7.089 38 HG11 VAL 552 HG11 VAL 552 16.499 1.201 5.152 39 HG12 VAL 552 HG12 VAL 552 16.165 -0.435 5.720 40 HG13 VAL 552 HG13 VAL 552 16.755 0.791 6.846 41 HG21 VAL 552 HG21 VAL 552 15.018 3.106 5.983 42 HG22 VAL 552 HG22 VAL 552 15.283 2.569 7.644 43 HG23 VAL 552 HG23 VAL 552 13.641 2.725 7.016 44 H VAL 553 HN VAL 553 14.872 -0.125 2.994 45 HA VAL 553 HA VAL 553 13.471 -2.532 2.719 46 HB VAL 553 HB VAL 553 16.237 -1.898 1.685 47 HG11 VAL 553 HG11 VAL 553 15.722 -3.563 -0.044 48 HG12 VAL 553 HG12 VAL 553 14.205 -3.931 0.774 49 HG13 VAL 553 HG13 VAL 553 15.739 -4.272 1.572 50 HG21 VAL 553 HG21 VAL 553 13.535 -1.472 0.410 51 HG22 VAL 553 HG22 VAL 553 15.094 -1.228 -0.379 52 HG23 VAL 553 HG23 VAL 553 14.631 -0.216 0.987 53 HA PRO 554 HA PRO 554 15.291 -4.868 6.052 54 HB2 PRO 554 HB2 PRO 554 14.003 -7.104 4.594 55 HB3 PRO 554 HB3 PRO 554 13.797 -6.590 6.271 56 HG2 PRO 554 HG2 PRO 554 11.895 -6.160 4.431 57 HG3 PRO 554 HG3 PRO 554 12.215 -4.989 5.722 58 HD2 PRO 554 HD2 PRO 554 13.012 -4.900 2.838 59 HD3 PRO 554 HD3 PRO 554 12.490 -3.581 3.906 60 H GLU 555 HN GLU 555 17.205 -5.879 6.195 61 HA GLU 555 HA GLU 555 18.642 -6.494 3.773 62 HB2 GLU 555 HB2 GLU 555 20.529 -6.994 5.364 63 HB3 GLU 555 HB3 GLU 555 19.895 -5.359 5.444 64 HG2 GLU 555 HG2 GLU 555 18.677 -5.878 7.450 65 HG3 GLU 555 HG3 GLU 555 19.157 -7.572 7.341 66 H THR 556 HN THR 556 16.502 -8.170 5.582 67 HA THR 556 HA THR 556 17.730 -10.763 5.433 68 HB THR 556 HB THR 556 15.399 -11.555 6.014 69 HG1 THR 556 HG1 THR 556 13.875 -9.999 6.507 70 HG21 THR 556 HG21 THR 556 17.110 -11.181 7.724 71 HG22 THR 556 HG22 THR 556 15.510 -10.736 8.318 72 HG23 THR 556 HG23 THR 556 16.646 -9.483 7.822 73 H SER 557 HN SER 557 15.713 -8.750 3.466 74 HA SER 557 HA SER 557 14.988 -10.844 1.617 75 HB2 SER 557 HB2 SER 557 13.458 -8.956 1.938 76 HB3 SER 557 HB3 SER 557 14.708 -7.829 1.422 77 HG SER 557 HG SER 557 12.951 -9.092 -0.092 78 H GLN 558 HN GLN 558 16.556 -11.702 0.417 79 HA GLN 558 HA GLN 558 18.906 -10.233 -0.320 80 HB2 GLN 558 HB2 GLN 558 17.938 -12.948 -1.245 81 HB3 GLN 558 HB3 GLN 558 19.540 -12.279 -1.543 82 HG2 GLN 558 HG2 GLN 558 19.904 -12.167 0.895 83 HG3 GLN 558 HG3 GLN 558 18.339 -12.940 1.138 84 HE21 GLN 558 HE21 GLN 558 18.688 -14.698 -1.197 85 HE22 GLN 558 HE22 GLN 558 19.832 -15.900 -0.704 86 H ASP 559 HN ASP 559 15.841 -10.153 -1.454 87 HA ASP 559 HA ASP 559 16.605 -9.580 -4.227 88 HB2 ASP 559 HB2 ASP 559 13.901 -9.893 -2.907 89 HB3 ASP 559 HB3 ASP 559 14.121 -9.413 -4.582 90 H MET 560 HN MET 560 15.941 -8.080 -1.262 91 HA MET 560 HA MET 560 15.491 -5.977 -0.545 92 HB2 MET 560 HB2 MET 560 16.607 -5.289 -3.267 93 HB3 MET 560 HB3 MET 560 16.170 -4.078 -2.072 94 HG2 MET 560 HG2 MET 560 18.486 -4.359 -1.874 95 HG3 MET 560 HG3 MET 560 17.784 -5.210 -0.504 96 HE1 MET 560 HE1 MET 560 20.782 -5.616 -1.362 97 HE2 MET 560 HE2 MET 560 20.951 -7.370 -1.302 98 HE3 MET 560 HE3 MET 560 20.047 -6.528 -0.042 99 H ALA 561 HN ALA 561 13.499 -7.573 -2.008 100 HA ALA 561 HA ALA 561 11.631 -5.463 -2.740 101 HB1 ALA 561 HB1 ALA 561 12.787 -6.044 -4.822 102 HB2 ALA 561 HB2 ALA 561 11.088 -6.514 -4.869 103 HB3 ALA 561 HB3 ALA 561 12.333 -7.734 -4.600 104 H PHE 562 HN PHE 562 9.427 -6.202 -2.925 105 HA PHE 562 HA PHE 562 8.885 -8.988 -2.238 106 HB2 PHE 562 HB2 PHE 562 7.281 -8.491 -0.537 107 HB3 PHE 562 HB3 PHE 562 8.728 -7.589 -0.117 108 HD1 PHE 562 HD1 PHE 562 5.215 -7.382 -0.971 109 HD2 PHE 562 HD2 PHE 562 8.800 -5.133 -0.502 110 HE1 PHE 562 HE1 PHE 562 3.900 -5.303 -0.864 111 HE2 PHE 562 HE2 PHE 562 7.486 -3.056 -0.386 112 HZ PHE 562 HZ PHE 562 4.966 -3.190 -0.488 113 H LYS 563 HN LYS 563 6.662 -9.602 -2.952 114 HA LYS 563 HA LYS 563 5.989 -7.939 -5.282 115 HB2 LYS 563 HB2 LYS 563 6.592 -10.318 -5.675 116 HB3 LYS 563 HB3 LYS 563 5.186 -10.800 -4.733 117 HG2 LYS 563 HG2 LYS 563 3.688 -10.003 -6.350 118 HG3 LYS 563 HG3 LYS 563 4.936 -9.043 -7.150 119 HD2 LYS 563 HD2 LYS 563 6.076 -11.144 -7.801 120 HD3 LYS 563 HD3 LYS 563 4.744 -12.058 -7.089 121 HE2 LYS 563 HE2 LYS 563 3.187 -11.042 -8.647 122 HE3 LYS 563 HE3 LYS 563 4.474 -10.054 -9.327 123 HZ1 LYS 563 HZ1 LYS 563 4.284 -13.018 -9.459 124 HZ2 LYS 563 HZ2 LYS 563 5.586 -12.109 -10.046 125 HZ3 LYS 563 HZ3 LYS 563 4.052 -11.934 -10.741 126 H CYS 564 HN CYS 564 4.261 -6.747 -5.300 127 HA CYS 564 HA CYS 564 2.630 -6.469 -3.018 128 HB2 CYS 564 HB2 CYS 564 3.116 -4.589 -4.454 129 HB3 CYS 564 HB3 CYS 564 2.357 -5.382 -5.825 130 HA PRO 565 HA PRO 565 -0.280 -9.746 -3.998 131 HB2 PRO 565 HB2 PRO 565 -1.633 -8.756 -1.573 132 HB3 PRO 565 HB3 PRO 565 -0.969 -10.356 -1.914 133 HG2 PRO 565 HG2 PRO 565 0.224 -8.723 -0.179 134 HG3 PRO 565 HG3 PRO 565 1.166 -9.757 -1.264 135 HD2 PRO 565 HD2 PRO 565 0.539 -6.827 -1.528 136 HD3 PRO 565 HD3 PRO 565 2.087 -7.671 -1.762 137 H ILE 566 HN ILE 566 -1.013 -6.367 -3.510 138 HA ILE 566 HA ILE 566 -3.815 -6.570 -4.029 139 HB ILE 566 HB ILE 566 -2.035 -4.136 -4.214 140 HG12 ILE 566 HG12 ILE 566 -1.953 -5.241 -1.993 141 HG13 ILE 566 HG13 ILE 566 -2.700 -3.648 -1.930 142 HG21 ILE 566 HG21 ILE 566 -5.026 -4.399 -3.932 143 HG22 ILE 566 HG22 ILE 566 -4.151 -3.825 -5.352 144 HG23 ILE 566 HG23 ILE 566 -4.120 -2.886 -3.860 145 HD11 ILE 566 HD11 ILE 566 -3.884 -5.242 -0.535 146 HD12 ILE 566 HD12 ILE 566 -4.154 -6.288 -1.930 147 HD13 ILE 566 HD13 ILE 566 -4.907 -4.695 -1.865 148 H CYS 567 HN CYS 567 -0.977 -5.791 -6.010 149 HA CYS 567 HA CYS 567 -2.739 -5.741 -8.363 150 HB2 CYS 567 HB2 CYS 567 -1.325 -4.004 -9.354 151 HB3 CYS 567 HB3 CYS 567 -2.036 -3.474 -7.836 152 H LYS 568 HN LYS 568 -0.389 -7.419 -6.889 153 HA LYS 568 HA LYS 568 0.957 -9.123 -7.491 154 HB2 LYS 568 HB2 LYS 568 -0.812 -8.919 -9.900 155 HB3 LYS 568 HB3 LYS 568 0.549 -10.027 -9.913 156 HG2 LYS 568 HG2 LYS 568 -1.447 -11.204 -9.273 157 HG3 LYS 568 HG3 LYS 568 -0.351 -11.119 -7.894 158 HD2 LYS 568 HD2 LYS 568 -1.648 -9.221 -7.013 159 HD3 LYS 568 HD3 LYS 568 -2.766 -9.368 -8.370 160 HE2 LYS 568 HE2 LYS 568 -2.211 -11.500 -6.316 161 HE3 LYS 568 HE3 LYS 568 -3.618 -10.436 -6.327 162 HZ1 LYS 568 HZ1 LYS 568 -2.906 -12.419 -8.430 163 HZ2 LYS 568 HZ2 LYS 568 -4.241 -11.375 -8.479 164 HZ3 LYS 568 HZ3 LYS 568 -4.145 -12.576 -7.282 165 H GLU 569 HN GLU 569 1.809 -6.350 -7.962 166 HA GLU 569 HA GLU 569 3.789 -6.812 -10.076 167 HB2 GLU 569 HB2 GLU 569 2.735 -4.284 -8.825 168 HB3 GLU 569 HB3 GLU 569 4.166 -4.312 -9.850 169 HG2 GLU 569 HG2 GLU 569 1.477 -5.332 -10.735 170 HG3 GLU 569 HG3 GLU 569 2.025 -3.676 -10.992 171 H THR 570 HN THR 570 5.910 -6.816 -9.630 172 HA THR 570 HA THR 570 6.748 -7.337 -6.972 173 HB THR 570 HB THR 570 8.439 -6.720 -9.407 174 HG1 THR 570 HG1 THR 570 7.290 -8.478 -9.996 175 HG21 THR 570 HG21 THR 570 9.090 -8.271 -6.891 176 HG22 THR 570 HG22 THR 570 9.676 -6.655 -7.282 177 HG23 THR 570 HG23 THR 570 10.162 -8.030 -8.270 178 H VAL 571 HN VAL 571 7.318 -5.930 -5.439 179 HA VAL 571 HA VAL 571 7.689 -3.113 -6.158 180 HB VAL 571 HB VAL 571 7.516 -4.294 -3.392 181 HG11 VAL 571 HG11 VAL 571 6.811 -2.019 -2.763 182 HG12 VAL 571 HG12 VAL 571 7.067 -1.499 -4.430 183 HG13 VAL 571 HG13 VAL 571 8.431 -2.061 -3.462 184 HG21 VAL 571 HG21 VAL 571 5.506 -4.940 -4.562 185 HG22 VAL 571 HG22 VAL 571 5.259 -3.283 -5.111 186 HG23 VAL 571 HG23 VAL 571 5.132 -3.672 -3.395 187 H THR 572 HN THR 572 9.709 -2.478 -6.472 188 HA THR 572 HA THR 572 11.869 -3.781 -4.982 189 HB THR 572 HB THR 572 13.353 -2.703 -6.738 190 HG1 THR 572 HG1 THR 572 12.176 -2.173 -8.719 191 HG21 THR 572 HG21 THR 572 12.842 -5.061 -6.863 192 HG22 THR 572 HG22 THR 572 12.782 -4.372 -8.484 193 HG23 THR 572 HG23 THR 572 11.288 -4.721 -7.618 194 H GLY 573 HN GLY 573 13.650 -2.363 -4.244 195 HA2 GLY 573 HA2 GLY 573 12.680 0.358 -3.670 196 HA3 GLY 573 HA3 GLY 573 13.355 -0.656 -2.399 197 H VAL 574 HN VAL 574 14.342 1.845 -3.091 198 HA VAL 574 HA VAL 574 16.785 1.282 -4.634 199 HB VAL 574 HB VAL 574 15.433 3.959 -4.194 200 HG11 VAL 574 HG11 VAL 574 17.678 3.170 -6.042 201 HG12 VAL 574 HG12 VAL 574 17.822 4.166 -4.594 202 HG13 VAL 574 HG13 VAL 574 16.905 4.754 -5.981 203 HG21 VAL 574 HG21 VAL 574 15.396 2.193 -6.638 204 HG22 VAL 574 HG22 VAL 574 14.728 3.819 -6.527 205 HG23 VAL 574 HG23 VAL 574 14.032 2.516 -5.570 206 H TYR 575 HN TYR 575 18.755 1.993 -3.790 207 HA TYR 575 HA TYR 575 18.810 2.505 -0.943 208 HB2 TYR 575 HB2 TYR 575 20.496 1.043 -1.958 209 HB3 TYR 575 HB3 TYR 575 21.033 2.360 -2.991 210 HD1 TYR 575 HD1 TYR 575 20.416 1.854 0.662 211 HD2 TYR 575 HD2 TYR 575 23.019 3.326 -2.365 212 HE1 TYR 575 HE1 TYR 575 22.040 2.528 2.390 213 HE2 TYR 575 HE2 TYR 575 24.642 4.004 -0.650 214 HH TYR 575 HH TYR 575 24.696 4.559 1.731 215 H ASP 576 HN ASP 576 18.688 4.490 -0.093 216 HA ASP 576 HA ASP 576 19.018 6.773 -1.868 217 HB2 ASP 576 HB2 ASP 576 17.074 6.708 -0.348 218 HB3 ASP 576 HB3 ASP 576 18.164 6.671 1.035 219 H GLU 577 HN GLU 577 20.981 7.494 -2.150 220 HA GLU 577 HA GLU 577 23.137 6.693 -0.495 221 HB2 GLU 577 HB2 GLU 577 23.072 8.714 -2.738 222 HB3 GLU 577 HB3 GLU 577 24.527 8.033 -2.017 223 HG2 GLU 577 HG2 GLU 577 23.818 5.801 -2.735 224 HG3 GLU 577 HG3 GLU 577 22.396 6.513 -3.496 225 H GLU 578 HN GLU 578 21.073 9.449 -0.469 226 HA GLU 578 HA GLU 578 22.930 11.211 0.801 227 HB2 GLU 578 HB2 GLU 578 21.044 12.062 -0.535 228 HB3 GLU 578 HB3 GLU 578 19.917 11.386 0.631 229 HG2 GLU 578 HG2 GLU 578 20.810 12.856 2.359 230 HG3 GLU 578 HG3 GLU 578 21.943 13.540 1.194 231 H SER 579 HN SER 579 20.117 9.321 1.932 232 HA SER 579 HA SER 579 20.746 9.954 4.690 233 HB2 SER 579 HB2 SER 579 18.766 8.539 5.205 234 HB3 SER 579 HB3 SER 579 18.405 9.816 4.038 235 HG SER 579 HG SER 579 18.468 8.312 2.389 236 H GLY 580 HN GLY 580 21.513 7.521 2.423 237 HA2 GLY 580 HA2 GLY 580 23.078 5.834 2.616 238 HA3 GLY 580 HA3 GLY 580 23.223 6.205 4.327 239 H GLU 581 HN GLU 581 20.079 5.618 3.011 240 HA GLU 581 HA GLU 581 20.107 2.874 4.057 241 HB2 GLU 581 HB2 GLU 581 18.091 5.016 4.757 242 HB3 GLU 581 HB3 GLU 581 17.901 3.310 5.142 243 HG2 GLU 581 HG2 GLU 581 19.916 3.399 6.516 244 HG3 GLU 581 HG3 GLU 581 20.106 5.106 6.128 245 H TRP 582 HN TRP 582 18.514 1.509 3.207 246 HA TRP 582 HA TRP 582 17.708 2.111 0.506 247 HB2 TRP 582 HB2 TRP 582 17.171 -0.292 2.269 248 HB3 TRP 582 HB3 TRP 582 16.718 -0.183 0.570 249 HD1 TRP 582 HD1 TRP 582 19.876 -0.337 2.783 250 HE1 TRP 582 HE1 TRP 582 21.795 -1.328 1.367 251 HE3 TRP 582 HE3 TRP 582 17.481 -0.591 -1.715 252 HZ2 TRP 582 HZ2 TRP 582 22.219 -2.110 -1.318 253 HZ3 TRP 582 HZ3 TRP 582 18.706 -1.470 -3.662 254 HH2 TRP 582 HH2 TRP 582 21.027 -2.214 -3.465 255 H VAL 583 HN VAL 583 15.581 2.297 -0.260 256 HA VAL 583 HA VAL 583 13.609 2.897 1.853 257 HB VAL 583 HB VAL 583 12.746 4.727 0.501 258 HG11 VAL 583 HG11 VAL 583 14.619 6.289 0.710 259 HG12 VAL 583 HG12 VAL 583 15.729 4.930 0.905 260 HG13 VAL 583 HG13 VAL 583 14.489 5.239 2.122 261 HG21 VAL 583 HG21 VAL 583 13.933 5.490 -1.517 262 HG22 VAL 583 HG22 VAL 583 13.263 3.866 -1.714 263 HG23 VAL 583 HG23 VAL 583 14.989 4.078 -1.414 264 H TRP 584 HN TRP 584 11.723 1.856 1.698 265 HA TRP 584 HA TRP 584 10.710 1.157 -0.980 266 HB2 TRP 584 HB2 TRP 584 10.007 0.163 1.779 267 HB3 TRP 584 HB3 TRP 584 8.890 -0.032 0.436 268 HD1 TRP 584 HD1 TRP 584 11.925 -0.522 -1.288 269 HE1 TRP 584 HE1 TRP 584 12.655 -2.974 -1.396 270 HE3 TRP 584 HE3 TRP 584 8.970 -2.373 2.433 271 HZ2 TRP 584 HZ2 TRP 584 12.048 -5.396 -0.076 272 HZ3 TRP 584 HZ3 TRP 584 9.101 -4.776 2.946 273 HH2 TRP 584 HH2 TRP 584 10.604 -6.256 1.722 274 H LYS 585 HN LYS 585 9.741 2.960 -1.748 275 HA LYS 585 HA LYS 585 8.272 4.671 0.087 276 HB2 LYS 585 HB2 LYS 585 8.053 6.189 -1.916 277 HB3 LYS 585 HB3 LYS 585 9.682 5.916 -1.326 278 HG2 LYS 585 HG2 LYS 585 9.832 5.863 -3.664 279 HG3 LYS 585 HG3 LYS 585 9.902 4.175 -3.155 280 HD2 LYS 585 HD2 LYS 585 7.648 3.803 -3.788 281 HD3 LYS 585 HD3 LYS 585 7.362 5.528 -4.022 282 HE2 LYS 585 HE2 LYS 585 9.271 3.853 -5.647 283 HE3 LYS 585 HE3 LYS 585 7.638 4.283 -6.145 284 HZ1 LYS 585 HZ1 LYS 585 9.108 5.793 -7.178 285 HZ2 LYS 585 HZ2 LYS 585 9.946 6.107 -5.741 286 HZ3 LYS 585 HZ3 LYS 585 8.352 6.663 -5.929 287 H ASN 586 HN ASN 586 6.121 5.429 -0.398 288 HA ASN 586 HA ASN 586 3.915 4.857 -0.397 289 HB2 ASN 586 HB2 ASN 586 4.582 3.402 -2.966 290 HB3 ASN 586 HB3 ASN 586 2.988 3.861 -2.427 291 HD21 ASN 586 HD21 ASN 586 2.223 5.808 -2.945 292 HD22 ASN 586 HD22 ASN 586 3.127 7.037 -3.763 293 H THR 587 HN THR 587 5.380 3.332 1.260 294 HA THR 587 HA THR 587 4.105 0.693 1.001 295 HB THR 587 HB THR 587 6.980 1.084 1.874 296 HG1 THR 587 HG1 THR 587 6.259 1.284 -0.511 297 HG21 THR 587 HG21 THR 587 5.390 -1.420 1.316 298 HG22 THR 587 HG22 THR 587 5.869 -0.840 2.909 299 HG23 THR 587 HG23 THR 587 7.098 -1.355 1.754 300 H ILE 588 HN ILE 588 3.386 -0.182 2.905 301 HA ILE 588 HA ILE 588 4.054 1.144 5.426 302 HB ILE 588 HB ILE 588 2.038 2.289 4.611 303 HG12 ILE 588 HG12 ILE 588 1.423 0.425 6.915 304 HG13 ILE 588 HG13 ILE 588 2.352 1.917 7.043 305 HG21 ILE 588 HG21 ILE 588 1.126 0.531 3.204 306 HG22 ILE 588 HG22 ILE 588 -0.078 1.088 4.367 307 HG23 ILE 588 HG23 ILE 588 0.763 -0.439 4.631 308 HD11 ILE 588 HD11 ILE 588 0.386 3.189 6.354 309 HD12 ILE 588 HD12 ILE 588 0.075 2.231 7.801 310 HD13 ILE 588 HD13 ILE 588 -0.538 1.691 6.240 311 H GLU 589 HN GLU 589 3.885 -0.201 7.235 312 HA GLU 589 HA GLU 589 3.442 -3.036 6.668 313 HB2 GLU 589 HB2 GLU 589 5.477 -2.403 7.930 314 HB3 GLU 589 HB3 GLU 589 4.464 -1.715 9.191 315 HG2 GLU 589 HG2 GLU 589 3.451 -3.986 9.502 316 HG3 GLU 589 HG3 GLU 589 4.674 -4.619 8.397 317 H VAL 590 HN VAL 590 1.535 -3.895 7.025 318 HA VAL 590 HA VAL 590 -0.139 -2.794 9.186 319 HB VAL 590 HB VAL 590 -1.138 -3.878 6.542 320 HG11 VAL 590 HG11 VAL 590 -2.650 -4.367 8.390 321 HG12 VAL 590 HG12 VAL 590 -3.343 -3.147 7.322 322 HG13 VAL 590 HG13 VAL 590 -2.637 -2.670 8.865 323 HG21 VAL 590 HG21 VAL 590 -0.087 -1.656 6.346 324 HG22 VAL 590 HG22 VAL 590 -1.191 -1.045 7.580 325 HG23 VAL 590 HG23 VAL 590 -1.822 -1.615 6.034 326 H ASN 591 HN ASN 591 -0.511 -4.245 10.702 327 HA ASN 591 HA ASN 591 -0.670 -6.196 11.833 328 HB2 ASN 591 HB2 ASN 591 -2.166 -6.588 9.405 329 HB3 ASN 591 HB3 ASN 591 -1.468 -8.109 9.946 330 HD21 ASN 591 HD21 ASN 591 -2.107 -8.981 11.896 331 HD22 ASN 591 HD22 ASN 591 -3.512 -8.435 12.744 332 H GLY 592 HN GLY 592 1.843 -5.547 10.623 333 HA2 GLY 592 HA2 GLY 592 3.907 -6.588 10.860 334 HA3 GLY 592 HA3 GLY 592 3.093 -8.139 10.971 335 H LYS 593 HN LYS 593 1.807 -6.696 8.326 336 HA LYS 593 HA LYS 593 3.802 -7.955 6.569 337 HB2 LYS 593 HB2 LYS 593 0.806 -7.801 6.368 338 HB3 LYS 593 HB3 LYS 593 1.807 -8.177 4.970 339 HG2 LYS 593 HG2 LYS 593 1.831 -9.751 7.542 340 HG3 LYS 593 HG3 LYS 593 0.867 -10.172 6.121 341 HD2 LYS 593 HD2 LYS 593 2.961 -10.267 4.791 342 HD3 LYS 593 HD3 LYS 593 3.870 -9.960 6.270 343 HE2 LYS 593 HE2 LYS 593 3.111 -12.023 7.238 344 HE3 LYS 593 HE3 LYS 593 2.017 -12.305 5.884 345 HZ1 LYS 593 HZ1 LYS 593 4.014 -13.626 5.648 346 HZ2 LYS 593 HZ2 LYS 593 4.986 -12.240 5.754 347 HZ3 LYS 593 HZ3 LYS 593 3.955 -12.454 4.421 348 H TYR 594 HN TYR 594 4.328 -6.972 4.608 349 HA TYR 594 HA TYR 594 3.945 -4.072 4.692 350 HB2 TYR 594 HB2 TYR 594 5.984 -5.738 3.206 351 HB3 TYR 594 HB3 TYR 594 5.902 -3.976 3.173 352 HD1 TYR 594 HD1 TYR 594 7.257 -6.799 4.821 353 HD2 TYR 594 HD2 TYR 594 6.051 -2.774 5.467 354 HE1 TYR 594 HE1 TYR 594 8.695 -6.697 6.806 355 HE2 TYR 594 HE2 TYR 594 7.476 -2.663 7.468 356 HH TYR 594 HH TYR 594 9.888 -4.793 8.094 357 H PHE 595 HN PHE 595 2.750 -3.037 3.288 358 HA PHE 595 HA PHE 595 2.233 -4.239 0.652 359 HB2 PHE 595 HB2 PHE 595 0.131 -2.895 2.383 360 HB3 PHE 595 HB3 PHE 595 -0.117 -3.521 0.761 361 HD1 PHE 595 HD1 PHE 595 0.088 -4.301 4.282 362 HD2 PHE 595 HD2 PHE 595 -0.161 -5.956 0.373 363 HE1 PHE 595 HE1 PHE 595 -0.604 -6.454 5.249 364 HE2 PHE 595 HE2 PHE 595 -0.856 -8.112 1.332 365 HZ PHE 595 HZ PHE 595 -1.076 -8.365 3.766 366 H HIS 596 HN HIS 596 1.572 -2.628 -0.961 367 HA HIS 596 HA HIS 596 2.881 -0.147 -0.837 368 HB2 HIS 596 HB2 HIS 596 0.709 -1.265 -2.580 369 HB3 HIS 596 HB3 HIS 596 1.058 0.455 -2.654 370 HD2 HIS 596 HD2 HIS 596 4.346 0.172 -2.546 371 HE1 HIS 596 HE1 HIS 596 3.703 -1.978 -6.133 372 HE2 HIS 596 HE2 HIS 596 5.357 -0.591 -4.804 373 H SER 597 HN SER 597 2.373 1.684 0.143 374 HA SER 597 HA SER 597 0.124 1.974 1.829 375 HB2 SER 597 HB2 SER 597 2.217 3.210 2.225 376 HB3 SER 597 HB3 SER 597 1.990 4.088 0.713 377 HG SER 597 HG SER 597 -0.227 4.409 2.081 378 H THR 598 HN THR 598 0.787 2.794 -1.494 379 HA THR 598 HA THR 598 -1.460 4.416 -1.966 380 HB THR 598 HB THR 598 -0.186 2.617 -4.014 381 HG1 THR 598 HG1 THR 598 1.269 4.479 -4.304 382 HG21 THR 598 HG21 THR 598 -1.455 5.358 -4.173 383 HG22 THR 598 HG22 THR 598 -2.138 3.846 -4.776 384 HG23 THR 598 HG23 THR 598 -0.684 4.514 -5.518 385 H CYS 599 HN CYS 599 -0.869 0.956 -2.270 386 HA CYS 599 HA CYS 599 -3.395 0.383 -3.456 387 HB2 CYS 599 HB2 CYS 599 -1.320 -1.448 -2.269 388 HB3 CYS 599 HB3 CYS 599 -2.730 -1.978 -3.180 389 H TYR 600 HN TYR 600 -2.184 0.422 -0.169 390 HA TYR 600 HA TYR 600 -3.934 -1.414 0.988 391 HB2 TYR 600 HB2 TYR 600 -1.983 -0.491 2.180 392 HB3 TYR 600 HB3 TYR 600 -2.781 1.078 2.262 393 HD1 TYR 600 HD1 TYR 600 -3.231 -2.478 3.300 394 HD2 TYR 600 HD2 TYR 600 -4.125 1.609 4.081 395 HE1 TYR 600 HE1 TYR 600 -4.283 -3.122 5.433 396 HE2 TYR 600 HE2 TYR 600 -5.176 0.979 6.208 397 HH TYR 600 HH TYR 600 -4.747 -1.881 7.719 398 H HIS 601 HN HIS 601 -4.389 1.978 0.201 399 HA HIS 601 HA HIS 601 -6.834 2.325 1.574 400 HB2 HIS 601 HB2 HIS 601 -5.623 3.786 -0.770 401 HB3 HIS 601 HB3 HIS 601 -7.122 4.285 0.009 402 HD2 HIS 601 HD2 HIS 601 -5.923 3.683 3.092 403 HE1 HIS 601 HE1 HIS 601 -3.313 6.834 2.000 404 HE2 HIS 601 HE2 HIS 601 -4.448 5.654 3.933 405 H GLU 602 HN GLU 602 -6.046 0.882 -1.497 406 HA GLU 602 HA GLU 602 -8.538 1.258 -2.756 407 HB2 GLU 602 HB2 GLU 602 -7.707 0.025 -4.491 408 HB3 GLU 602 HB3 GLU 602 -6.198 0.412 -3.688 409 HG2 GLU 602 HG2 GLU 602 -5.902 -1.820 -4.108 410 HG3 GLU 602 HG3 GLU 602 -6.587 -1.890 -2.487 411 H THR 603 HN THR 603 -7.384 -1.096 -0.455 412 HA THR 603 HA THR 603 -9.739 -2.749 -0.865 413 HB THR 603 HB THR 603 -7.514 -3.808 -0.457 414 HG1 THR 603 HG1 THR 603 -9.252 -5.094 -0.036 415 HG21 THR 603 HG21 THR 603 -6.695 -2.212 1.251 416 HG22 THR 603 HG22 THR 603 -6.602 -3.890 1.788 417 HG23 THR 603 HG23 THR 603 -7.893 -2.845 2.380 Start of MODEL 6 1 H GLY 548 HN GLY 548 3.530 9.774 1.007 2 HA2 GLY 548 HA2 GLY 548 5.325 9.559 -0.563 3 HA3 GLY 548 HA3 GLY 548 5.857 11.174 -0.118 4 H LYS 549 HN LYS 549 4.971 9.351 2.565 5 HA LYS 549 HA LYS 549 7.622 9.216 3.540 6 HB2 LYS 549 HB2 LYS 549 5.075 7.940 4.533 7 HB3 LYS 549 HB3 LYS 549 6.612 7.840 5.383 8 HG2 LYS 549 HG2 LYS 549 6.673 10.291 5.533 9 HG3 LYS 549 HG3 LYS 549 5.101 10.360 4.736 10 HD2 LYS 549 HD2 LYS 549 4.103 9.113 6.574 11 HD3 LYS 549 HD3 LYS 549 5.682 8.989 7.359 12 HE2 LYS 549 HE2 LYS 549 4.267 11.577 6.718 13 HE3 LYS 549 HE3 LYS 549 4.243 10.781 8.294 14 HZ1 LYS 549 HZ1 LYS 549 6.469 11.245 8.657 15 HZ2 LYS 549 HZ2 LYS 549 5.948 12.647 7.858 16 HZ3 LYS 549 HZ3 LYS 549 6.815 11.459 7.014 17 H TYR 550 HN TYR 550 8.856 7.386 4.027 18 HA TYR 550 HA TYR 550 8.441 5.161 2.158 19 HB2 TYR 550 HB2 TYR 550 10.769 5.193 1.605 20 HB3 TYR 550 HB3 TYR 550 10.160 6.834 1.419 21 HD1 TYR 550 HD1 TYR 550 12.758 4.881 2.766 22 HD2 TYR 550 HD2 TYR 550 10.443 8.360 3.577 23 HE1 TYR 550 HE1 TYR 550 14.504 5.668 4.316 24 HE2 TYR 550 HE2 TYR 550 12.172 9.156 5.128 25 HH TYR 550 HH TYR 550 15.260 7.877 5.278 26 H VAL 551 HN VAL 551 9.511 3.187 2.736 27 HA VAL 551 HA VAL 551 10.266 2.968 5.583 28 HB VAL 551 HB VAL 551 9.012 0.848 3.808 29 HG11 VAL 551 HG11 VAL 551 9.890 0.668 6.689 30 HG12 VAL 551 HG12 VAL 551 10.674 -0.119 5.319 31 HG13 VAL 551 HG13 VAL 551 9.038 -0.585 5.784 32 HG21 VAL 551 HG21 VAL 551 7.154 0.926 5.394 33 HG22 VAL 551 HG22 VAL 551 7.398 2.487 4.609 34 HG23 VAL 551 HG23 VAL 551 7.952 2.234 6.265 35 H VAL 552 HN VAL 552 12.247 2.173 5.981 36 HA VAL 552 HA VAL 552 14.155 2.045 3.907 37 HB VAL 552 HB VAL 552 14.425 1.001 6.741 38 HG11 VAL 552 HG11 VAL 552 16.544 1.869 4.773 39 HG12 VAL 552 HG12 VAL 552 16.184 0.205 5.237 40 HG13 VAL 552 HG13 VAL 552 16.818 1.335 6.432 41 HG21 VAL 552 HG21 VAL 552 13.719 3.318 6.780 42 HG22 VAL 552 HG22 VAL 552 14.991 3.754 5.638 43 HG23 VAL 552 HG23 VAL 552 15.413 3.197 7.257 44 H VAL 553 HN VAL 553 14.889 0.376 2.732 45 HA VAL 553 HA VAL 553 13.449 -2.044 2.625 46 HB VAL 553 HB VAL 553 16.209 -1.566 1.496 47 HG11 VAL 553 HG11 VAL 553 15.584 -3.246 -0.151 48 HG12 VAL 553 HG12 VAL 553 14.016 -3.450 0.635 49 HG13 VAL 553 HG13 VAL 553 15.498 -3.902 1.485 50 HG21 VAL 553 HG21 VAL 553 15.091 -0.854 -0.561 51 HG22 VAL 553 HG22 VAL 553 14.712 0.219 0.786 52 HG23 VAL 553 HG23 VAL 553 13.531 -0.975 0.250 53 HA PRO 554 HA PRO 554 15.189 -4.030 6.172 54 HB2 PRO 554 HB2 PRO 554 14.175 -6.448 4.780 55 HB3 PRO 554 HB3 PRO 554 13.852 -5.879 6.420 56 HG2 PRO 554 HG2 PRO 554 12.007 -5.656 4.499 57 HG3 PRO 554 HG3 PRO 554 12.218 -4.393 5.727 58 HD2 PRO 554 HD2 PRO 554 13.076 -4.411 2.863 59 HD3 PRO 554 HD3 PRO 554 12.490 -3.067 3.861 60 H GLU 555 HN GLU 555 17.166 -4.795 6.571 61 HA GLU 555 HA GLU 555 18.626 -6.126 4.403 62 HB2 GLU 555 HB2 GLU 555 19.635 -4.879 6.960 63 HB3 GLU 555 HB3 GLU 555 20.651 -5.611 5.725 64 HG2 GLU 555 HG2 GLU 555 19.788 -3.915 4.115 65 HG3 GLU 555 HG3 GLU 555 18.952 -3.139 5.458 66 H THR 556 HN THR 556 16.864 -6.808 7.098 67 HA THR 556 HA THR 556 18.343 -9.142 7.966 68 HB THR 556 HB THR 556 16.274 -9.528 9.386 69 HG1 THR 556 HG1 THR 556 14.594 -8.286 9.085 70 HG21 THR 556 HG21 THR 556 16.737 -7.637 10.910 71 HG22 THR 556 HG22 THR 556 17.696 -6.878 9.638 72 HG23 THR 556 HG23 THR 556 18.212 -8.419 10.325 73 H SER 557 HN SER 557 16.464 -8.383 5.392 74 HA SER 557 HA SER 557 15.175 -10.997 5.170 75 HB2 SER 557 HB2 SER 557 14.828 -8.504 3.483 76 HB3 SER 557 HB3 SER 557 13.879 -9.987 3.350 77 HG SER 557 HG SER 557 12.801 -9.475 5.097 78 H GLN 558 HN GLN 558 15.734 -12.429 3.634 79 HA GLN 558 HA GLN 558 18.275 -12.180 2.342 80 HB2 GLN 558 HB2 GLN 558 16.103 -14.261 1.999 81 HB3 GLN 558 HB3 GLN 558 17.759 -14.406 1.425 82 HG2 GLN 558 HG2 GLN 558 18.617 -14.548 3.607 83 HG3 GLN 558 HG3 GLN 558 17.103 -13.995 4.318 84 HE21 GLN 558 HE21 GLN 558 16.967 -15.783 5.644 85 HE22 GLN 558 HE22 GLN 558 16.560 -17.361 5.055 86 H ASP 559 HN ASP 559 14.911 -12.044 1.383 87 HA ASP 559 HA ASP 559 15.728 -11.005 -1.230 88 HB2 ASP 559 HB2 ASP 559 13.308 -11.352 -1.850 89 HB3 ASP 559 HB3 ASP 559 14.190 -12.829 -1.494 90 H MET 560 HN MET 560 15.943 -8.870 -1.221 91 HA MET 560 HA MET 560 14.667 -7.232 0.788 92 HB2 MET 560 HB2 MET 560 16.371 -6.388 -1.567 93 HB3 MET 560 HB3 MET 560 15.974 -5.406 -0.167 94 HG2 MET 560 HG2 MET 560 17.244 -6.888 1.274 95 HG3 MET 560 HG3 MET 560 17.603 -7.941 -0.092 96 HE1 MET 560 HE1 MET 560 19.267 -3.682 0.507 97 HE2 MET 560 HE2 MET 560 18.339 -4.569 1.709 98 HE3 MET 560 HE3 MET 560 17.554 -4.013 0.234 99 H ALA 561 HN ALA 561 12.775 -8.459 -0.838 100 HA ALA 561 HA ALA 561 11.470 -6.154 -2.047 101 HB1 ALA 561 HB1 ALA 561 12.658 -7.173 -3.906 102 HB2 ALA 561 HB2 ALA 561 10.922 -7.439 -4.085 103 HB3 ALA 561 HB3 ALA 561 11.963 -8.748 -3.520 104 H PHE 562 HN PHE 562 9.129 -6.590 -2.398 105 HA PHE 562 HA PHE 562 8.190 -9.086 -1.201 106 HB2 PHE 562 HB2 PHE 562 6.553 -8.063 0.197 107 HB3 PHE 562 HB3 PHE 562 8.079 -7.271 0.545 108 HD1 PHE 562 HD1 PHE 562 4.730 -6.889 -0.789 109 HD2 PHE 562 HD2 PHE 562 8.454 -4.939 -0.117 110 HE1 PHE 562 HE1 PHE 562 3.642 -4.712 -1.125 111 HE2 PHE 562 HE2 PHE 562 7.369 -2.756 -0.459 112 HZ PHE 562 HZ PHE 562 4.957 -2.643 -0.957 113 H LYS 563 HN LYS 563 6.246 -9.840 -2.001 114 HA LYS 563 HA LYS 563 5.620 -8.817 -4.646 115 HB2 LYS 563 HB2 LYS 563 5.967 -11.229 -4.306 116 HB3 LYS 563 HB3 LYS 563 4.638 -11.262 -3.159 117 HG2 LYS 563 HG2 LYS 563 3.706 -12.107 -5.103 118 HG3 LYS 563 HG3 LYS 563 3.193 -10.421 -5.103 119 HD2 LYS 563 HD2 LYS 563 4.970 -9.867 -6.673 120 HD3 LYS 563 HD3 LYS 563 5.542 -11.535 -6.631 121 HE2 LYS 563 HE2 LYS 563 3.325 -12.260 -7.480 122 HE3 LYS 563 HE3 LYS 563 2.870 -10.566 -7.631 123 HZ1 LYS 563 HZ1 LYS 563 3.597 -11.395 -9.740 124 HZ2 LYS 563 HZ2 LYS 563 5.060 -11.940 -9.084 125 HZ3 LYS 563 HZ3 LYS 563 4.748 -10.283 -9.179 126 H CYS 564 HN CYS 564 4.122 -7.205 -4.756 127 HA CYS 564 HA CYS 564 2.205 -6.750 -2.694 128 HB2 CYS 564 HB2 CYS 564 3.088 -4.952 -4.170 129 HB3 CYS 564 HB3 CYS 564 2.253 -5.683 -5.530 130 HA PRO 565 HA PRO 565 -0.402 -10.085 -4.173 131 HB2 PRO 565 HB2 PRO 565 -2.127 -9.362 -1.909 132 HB3 PRO 565 HB3 PRO 565 -1.245 -10.861 -2.206 133 HG2 PRO 565 HG2 PRO 565 -0.503 -9.176 -0.262 134 HG3 PRO 565 HG3 PRO 565 0.691 -10.084 -1.212 135 HD2 PRO 565 HD2 PRO 565 -0.194 -7.231 -1.530 136 HD3 PRO 565 HD3 PRO 565 1.454 -7.897 -1.528 137 H ILE 566 HN ILE 566 -1.218 -6.814 -3.685 138 HA ILE 566 HA ILE 566 -3.978 -7.023 -4.469 139 HB ILE 566 HB ILE 566 -2.271 -4.541 -4.218 140 HG12 ILE 566 HG12 ILE 566 -4.108 -5.732 -2.138 141 HG13 ILE 566 HG13 ILE 566 -2.376 -6.044 -2.169 142 HG21 ILE 566 HG21 ILE 566 -4.326 -4.161 -5.451 143 HG22 ILE 566 HG22 ILE 566 -4.443 -3.424 -3.851 144 HG23 ILE 566 HG23 ILE 566 -5.260 -4.952 -4.179 145 HD11 ILE 566 HD11 ILE 566 -3.657 -3.338 -1.891 146 HD12 ILE 566 HD12 ILE 566 -1.928 -3.685 -1.865 147 HD13 ILE 566 HD13 ILE 566 -2.969 -4.298 -0.582 148 H CYS 567 HN CYS 567 -1.033 -5.649 -5.935 149 HA CYS 567 HA CYS 567 -2.485 -5.470 -8.481 150 HB2 CYS 567 HB2 CYS 567 -0.784 -3.841 -9.175 151 HB3 CYS 567 HB3 CYS 567 -1.577 -3.339 -7.687 152 H LYS 568 HN LYS 568 -0.390 -7.451 -6.902 153 HA LYS 568 HA LYS 568 0.718 -9.313 -7.522 154 HB2 LYS 568 HB2 LYS 568 -0.574 -8.704 -10.173 155 HB3 LYS 568 HB3 LYS 568 0.410 -10.136 -9.897 156 HG2 LYS 568 HG2 LYS 568 -1.118 -10.906 -8.193 157 HG3 LYS 568 HG3 LYS 568 -2.074 -9.430 -8.345 158 HD2 LYS 568 HD2 LYS 568 -1.616 -11.357 -10.616 159 HD3 LYS 568 HD3 LYS 568 -3.007 -11.434 -9.535 160 HE2 LYS 568 HE2 LYS 568 -2.264 -9.036 -11.207 161 HE3 LYS 568 HE3 LYS 568 -3.469 -10.242 -11.663 162 HZ1 LYS 568 HZ1 LYS 568 -4.748 -9.678 -9.711 163 HZ2 LYS 568 HZ2 LYS 568 -4.475 -8.286 -10.644 164 HZ3 LYS 568 HZ3 LYS 568 -3.583 -8.548 -9.230 165 H GLU 569 HN GLU 569 1.930 -6.544 -7.874 166 HA GLU 569 HA GLU 569 4.081 -7.307 -9.727 167 HB2 GLU 569 HB2 GLU 569 3.271 -4.617 -8.614 168 HB3 GLU 569 HB3 GLU 569 4.771 -4.875 -9.494 169 HG2 GLU 569 HG2 GLU 569 2.029 -5.431 -10.601 170 HG3 GLU 569 HG3 GLU 569 2.945 -3.950 -10.881 171 H THR 570 HN THR 570 6.097 -7.690 -9.008 172 HA THR 570 HA THR 570 6.577 -7.940 -6.194 173 HB THR 570 HB THR 570 8.545 -8.139 -8.490 174 HG1 THR 570 HG1 THR 570 7.058 -9.721 -8.834 175 HG21 THR 570 HG21 THR 570 9.873 -9.490 -6.924 176 HG22 THR 570 HG22 THR 570 8.685 -9.187 -5.656 177 HG23 THR 570 HG23 THR 570 9.632 -7.854 -6.317 178 H VAL 571 HN VAL 571 7.428 -6.435 -4.871 179 HA VAL 571 HA VAL 571 8.220 -3.872 -6.062 180 HB VAL 571 HB VAL 571 7.599 -4.447 -3.169 181 HG11 VAL 571 HG11 VAL 571 8.814 -2.388 -3.527 182 HG12 VAL 571 HG12 VAL 571 7.147 -2.025 -3.082 183 HG13 VAL 571 HG13 VAL 571 7.658 -1.891 -4.762 184 HG21 VAL 571 HG21 VAL 571 5.677 -5.096 -4.473 185 HG22 VAL 571 HG22 VAL 571 5.720 -3.565 -5.350 186 HG23 VAL 571 HG23 VAL 571 5.339 -3.581 -3.626 187 H THR 572 HN THR 572 10.311 -3.609 -6.295 188 HA THR 572 HA THR 572 12.162 -4.644 -4.268 189 HB THR 572 HB THR 572 13.933 -4.050 -5.976 190 HG1 THR 572 HG1 THR 572 13.243 -2.906 -7.614 191 HG21 THR 572 HG21 THR 572 13.215 -6.355 -5.706 192 HG22 THR 572 HG22 THR 572 13.509 -6.009 -7.409 193 HG23 THR 572 HG23 THR 572 11.855 -6.088 -6.798 194 H GLY 573 HN GLY 573 13.985 -3.112 -3.670 195 HA2 GLY 573 HA2 GLY 573 12.990 -0.342 -3.801 196 HA3 GLY 573 HA3 GLY 573 13.593 -1.045 -2.302 197 H VAL 574 HN VAL 574 14.590 1.288 -3.521 198 HA VAL 574 HA VAL 574 17.112 0.393 -4.744 199 HB VAL 574 HB VAL 574 15.743 3.076 -5.055 200 HG11 VAL 574 HG11 VAL 574 17.334 3.395 -6.915 201 HG12 VAL 574 HG12 VAL 574 18.132 1.888 -6.465 202 HG13 VAL 574 HG13 VAL 574 18.131 3.253 -5.347 203 HG21 VAL 574 HG21 VAL 574 15.839 0.744 -6.969 204 HG22 VAL 574 HG22 VAL 574 15.177 2.341 -7.325 205 HG23 VAL 574 HG23 VAL 574 14.420 1.327 -6.098 206 H TYR 575 HN TYR 575 19.019 1.226 -4.020 207 HA TYR 575 HA TYR 575 19.053 2.402 -1.405 208 HB2 TYR 575 HB2 TYR 575 20.782 0.794 -2.196 209 HB3 TYR 575 HB3 TYR 575 21.322 1.986 -3.372 210 HD1 TYR 575 HD1 TYR 575 20.532 1.993 0.276 211 HD2 TYR 575 HD2 TYR 575 23.276 3.017 -2.805 212 HE1 TYR 575 HE1 TYR 575 22.066 2.930 1.959 213 HE2 TYR 575 HE2 TYR 575 24.806 3.972 -1.139 214 HH TYR 575 HH TYR 575 24.419 3.455 2.215 215 H ASP 576 HN ASP 576 18.797 4.498 -1.037 216 HA ASP 576 HA ASP 576 18.968 6.350 -3.278 217 HB2 ASP 576 HB2 ASP 576 17.000 6.416 -1.753 218 HB3 ASP 576 HB3 ASP 576 18.072 6.831 -0.421 219 H GLU 577 HN GLU 577 21.053 6.732 -3.658 220 HA GLU 577 HA GLU 577 23.084 6.780 -1.722 221 HB2 GLU 577 HB2 GLU 577 23.012 7.876 -4.534 222 HB3 GLU 577 HB3 GLU 577 24.470 7.779 -3.554 223 HG2 GLU 577 HG2 GLU 577 24.286 5.370 -3.448 224 HG3 GLU 577 HG3 GLU 577 22.766 5.422 -4.339 225 H GLU 578 HN GLU 578 20.886 9.209 -2.733 226 HA GLU 578 HA GLU 578 22.410 11.500 -2.085 227 HB2 GLU 578 HB2 GLU 578 19.402 11.261 -1.949 228 HB3 GLU 578 HB3 GLU 578 20.354 12.717 -2.215 229 HG2 GLU 578 HG2 GLU 578 19.967 10.411 -4.110 230 HG3 GLU 578 HG3 GLU 578 19.399 12.069 -4.293 231 H SER 579 HN SER 579 20.112 9.530 -0.252 232 HA SER 579 HA SER 579 20.738 11.059 2.169 233 HB2 SER 579 HB2 SER 579 18.784 9.853 3.135 234 HB3 SER 579 HB3 SER 579 18.382 10.795 1.693 235 HG SER 579 HG SER 579 18.372 8.908 0.486 236 H GLY 580 HN GLY 580 21.382 8.071 0.646 237 HA2 GLY 580 HA2 GLY 580 22.964 6.485 1.234 238 HA3 GLY 580 HA3 GLY 580 23.167 7.294 2.776 239 H GLU 581 HN GLU 581 20.016 6.241 1.615 240 HA GLU 581 HA GLU 581 20.132 3.915 3.396 241 HB2 GLU 581 HB2 GLU 581 17.912 4.535 4.318 242 HB3 GLU 581 HB3 GLU 581 19.181 5.676 4.739 243 HG2 GLU 581 HG2 GLU 581 18.399 7.076 2.798 244 HG3 GLU 581 HG3 GLU 581 16.998 6.010 2.711 245 H TRP 582 HN TRP 582 18.506 2.314 2.963 246 HA TRP 582 HA TRP 582 17.734 2.181 0.181 247 HB2 TRP 582 HB2 TRP 582 17.250 0.304 2.502 248 HB3 TRP 582 HB3 TRP 582 16.772 -0.027 0.835 249 HD1 TRP 582 HD1 TRP 582 19.886 0.178 3.068 250 HE1 TRP 582 HE1 TRP 582 21.828 -1.003 1.856 251 HE3 TRP 582 HE3 TRP 582 17.628 -0.632 -1.438 252 HZ2 TRP 582 HZ2 TRP 582 22.331 -2.126 -0.696 253 HZ3 TRP 582 HZ3 TRP 582 18.905 -1.759 -3.213 254 HH2 TRP 582 HH2 TRP 582 21.206 -2.492 -2.852 255 H VAL 583 HN VAL 583 15.690 2.477 -0.621 256 HA VAL 583 HA VAL 583 13.699 3.335 1.378 257 HB VAL 583 HB VAL 583 12.913 5.037 -0.196 258 HG11 VAL 583 HG11 VAL 583 14.542 5.699 1.462 259 HG12 VAL 583 HG12 VAL 583 14.839 6.565 -0.042 260 HG13 VAL 583 HG13 VAL 583 15.864 5.204 0.406 261 HG21 VAL 583 HG21 VAL 583 15.232 4.138 -1.904 262 HG22 VAL 583 HG22 VAL 583 14.258 5.581 -2.190 263 HG23 VAL 583 HG23 VAL 583 13.516 3.982 -2.286 264 H TRP 584 HN TRP 584 11.793 2.365 1.323 265 HA TRP 584 HA TRP 584 10.672 1.543 -1.281 266 HB2 TRP 584 HB2 TRP 584 10.033 0.715 1.557 267 HB3 TRP 584 HB3 TRP 584 8.895 0.453 0.246 268 HD1 TRP 584 HD1 TRP 584 11.929 -0.241 -1.452 269 HE1 TRP 584 HE1 TRP 584 12.562 -2.725 -1.387 270 HE3 TRP 584 HE3 TRP 584 8.925 -1.728 2.389 271 HZ2 TRP 584 HZ2 TRP 584 11.875 -5.031 0.096 272 HZ3 TRP 584 HZ3 TRP 584 8.959 -4.097 3.074 273 HH2 TRP 584 HH2 TRP 584 10.406 -5.713 1.950 274 H LYS 585 HN LYS 585 9.654 3.352 -2.081 275 HA LYS 585 HA LYS 585 8.565 5.304 -0.235 276 HB2 LYS 585 HB2 LYS 585 8.417 5.303 -3.260 277 HB3 LYS 585 HB3 LYS 585 8.074 6.653 -2.185 278 HG2 LYS 585 HG2 LYS 585 10.773 5.345 -2.394 279 HG3 LYS 585 HG3 LYS 585 10.285 6.755 -3.335 280 HD2 LYS 585 HD2 LYS 585 9.859 7.972 -1.228 281 HD3 LYS 585 HD3 LYS 585 10.425 6.563 -0.328 282 HE2 LYS 585 HE2 LYS 585 12.213 8.170 -0.484 283 HE3 LYS 585 HE3 LYS 585 12.616 6.759 -1.462 284 HZ1 LYS 585 HZ1 LYS 585 13.155 8.772 -2.641 285 HZ2 LYS 585 HZ2 LYS 585 11.573 9.359 -2.468 286 HZ3 LYS 585 HZ3 LYS 585 11.873 7.995 -3.434 287 H ASN 586 HN ASN 586 6.473 5.862 0.051 288 HA ASN 586 HA ASN 586 4.263 5.486 0.407 289 HB2 ASN 586 HB2 ASN 586 4.166 4.305 -2.378 290 HB3 ASN 586 HB3 ASN 586 2.864 5.058 -1.481 291 HD21 ASN 586 HD21 ASN 586 4.000 5.642 -4.114 292 HD22 ASN 586 HD22 ASN 586 4.430 7.316 -4.070 293 H THR 587 HN THR 587 5.733 3.647 1.591 294 HA THR 587 HA THR 587 4.279 1.138 1.095 295 HB THR 587 HB THR 587 7.143 1.382 2.054 296 HG1 THR 587 HG1 THR 587 6.572 1.824 -0.278 297 HG21 THR 587 HG21 THR 587 5.986 -0.593 2.943 298 HG22 THR 587 HG22 THR 587 7.217 -1.050 1.765 299 HG23 THR 587 HG23 THR 587 5.512 -1.056 1.311 300 H ILE 588 HN ILE 588 3.506 0.086 2.894 301 HA ILE 588 HA ILE 588 4.072 1.216 5.539 302 HB ILE 588 HB ILE 588 2.067 2.389 4.745 303 HG12 ILE 588 HG12 ILE 588 1.405 0.311 6.844 304 HG13 ILE 588 HG13 ILE 588 2.243 1.831 7.141 305 HG21 ILE 588 HG21 ILE 588 0.844 -0.354 4.444 306 HG22 ILE 588 HG22 ILE 588 1.279 0.745 3.132 307 HG23 ILE 588 HG23 ILE 588 -0.005 1.184 4.259 308 HD11 ILE 588 HD11 ILE 588 0.250 3.061 6.465 309 HD12 ILE 588 HD12 ILE 588 -0.095 1.950 7.790 310 HD13 ILE 588 HD13 ILE 588 -0.583 1.538 6.146 311 H GLU 589 HN GLU 589 3.895 -0.278 7.205 312 HA GLU 589 HA GLU 589 3.522 -3.056 6.357 313 HB2 GLU 589 HB2 GLU 589 5.603 -2.431 7.587 314 HB3 GLU 589 HB3 GLU 589 4.620 -1.967 8.968 315 HG2 GLU 589 HG2 GLU 589 4.326 -4.733 7.898 316 HG3 GLU 589 HG3 GLU 589 5.788 -4.329 8.800 317 H VAL 590 HN VAL 590 1.643 -3.982 6.701 318 HA VAL 590 HA VAL 590 -0.042 -2.987 8.902 319 HB VAL 590 HB VAL 590 -1.039 -3.905 6.191 320 HG11 VAL 590 HG11 VAL 590 -2.532 -2.802 8.572 321 HG12 VAL 590 HG12 VAL 590 -2.598 -4.457 7.968 322 HG13 VAL 590 HG13 VAL 590 -3.235 -3.137 6.989 323 HG21 VAL 590 HG21 VAL 590 0.009 -1.724 6.019 324 HG22 VAL 590 HG22 VAL 590 -0.948 -1.130 7.376 325 HG23 VAL 590 HG23 VAL 590 -1.743 -1.575 5.865 326 H ASN 591 HN ASN 591 -0.308 -4.522 10.351 327 HA ASN 591 HA ASN 591 -0.654 -6.524 11.350 328 HB2 ASN 591 HB2 ASN 591 -1.998 -6.959 8.724 329 HB3 ASN 591 HB3 ASN 591 -1.926 -8.254 9.907 330 HD21 ASN 591 HD21 ASN 591 -3.013 -8.034 11.856 331 HD22 ASN 591 HD22 ASN 591 -4.266 -6.857 12.080 332 H GLY 592 HN GLY 592 1.900 -6.118 10.136 333 HA2 GLY 592 HA2 GLY 592 3.782 -7.479 10.337 334 HA3 GLY 592 HA3 GLY 592 2.747 -8.896 10.270 335 H LYS 593 HN LYS 593 1.934 -6.854 7.747 336 HA LYS 593 HA LYS 593 3.936 -8.058 5.965 337 HB2 LYS 593 HB2 LYS 593 0.969 -7.849 5.446 338 HB3 LYS 593 HB3 LYS 593 2.158 -8.230 4.207 339 HG2 LYS 593 HG2 LYS 593 2.840 -10.198 5.573 340 HG3 LYS 593 HG3 LYS 593 1.478 -9.856 6.642 341 HD2 LYS 593 HD2 LYS 593 0.823 -11.552 5.057 342 HD3 LYS 593 HD3 LYS 593 -0.044 -10.061 4.692 343 HE2 LYS 593 HE2 LYS 593 0.801 -11.192 2.672 344 HE3 LYS 593 HE3 LYS 593 1.475 -9.576 2.878 345 HZ1 LYS 593 HZ1 LYS 593 2.893 -12.027 3.768 346 HZ2 LYS 593 HZ2 LYS 593 3.527 -10.467 3.576 347 HZ3 LYS 593 HZ3 LYS 593 3.088 -11.373 2.214 348 H TYR 594 HN TYR 594 4.591 -6.839 4.222 349 HA TYR 594 HA TYR 594 4.137 -3.976 4.516 350 HB2 TYR 594 HB2 TYR 594 6.118 -5.542 2.856 351 HB3 TYR 594 HB3 TYR 594 5.984 -3.788 2.823 352 HD1 TYR 594 HD1 TYR 594 7.116 -6.686 4.721 353 HD2 TYR 594 HD2 TYR 594 6.681 -2.454 4.750 354 HE1 TYR 594 HE1 TYR 594 8.642 -6.548 6.641 355 HE2 TYR 594 HE2 TYR 594 8.215 -2.303 6.665 356 HH TYR 594 HH TYR 594 9.043 -3.698 8.477 357 H PHE 595 HN PHE 595 3.023 -2.760 3.162 358 HA PHE 595 HA PHE 595 2.384 -3.769 0.478 359 HB2 PHE 595 HB2 PHE 595 0.370 -2.517 2.371 360 HB3 PHE 595 HB3 PHE 595 0.067 -2.938 0.693 361 HD1 PHE 595 HD1 PHE 595 0.320 -4.149 4.101 362 HD2 PHE 595 HD2 PHE 595 -0.103 -5.297 0.025 363 HE1 PHE 595 HE1 PHE 595 -0.415 -6.385 4.805 364 HE2 PHE 595 HE2 PHE 595 -0.842 -7.537 0.727 365 HZ PHE 595 HZ PHE 595 -1.057 -8.062 3.123 366 H HIS 596 HN HIS 596 1.833 -2.045 -1.017 367 HA HIS 596 HA HIS 596 3.070 0.472 -0.565 368 HB2 HIS 596 HB2 HIS 596 0.928 -0.295 -2.573 369 HB3 HIS 596 HB3 HIS 596 1.819 1.216 -2.589 370 HD2 HIS 596 HD2 HIS 596 4.820 0.437 -2.613 371 HE1 HIS 596 HE1 HIS 596 3.816 -2.392 -5.604 372 HE2 HIS 596 HE2 HIS 596 5.709 -1.122 -4.478 373 H SER 597 HN SER 597 2.300 2.222 0.442 374 HA SER 597 HA SER 597 -0.013 2.156 2.022 375 HB2 SER 597 HB2 SER 597 1.393 4.648 1.039 376 HB3 SER 597 HB3 SER 597 0.453 4.460 2.519 377 HG SER 597 HG SER 597 2.068 3.374 3.438 378 H THR 598 HN THR 598 0.573 3.321 -1.227 379 HA THR 598 HA THR 598 -1.946 4.555 -1.585 380 HB THR 598 HB THR 598 -0.204 5.142 -3.109 381 HG1 THR 598 HG1 THR 598 -2.017 5.274 -4.279 382 HG21 THR 598 HG21 THR 598 0.799 3.556 -4.672 383 HG22 THR 598 HG22 THR 598 -0.125 2.242 -3.944 384 HG23 THR 598 HG23 THR 598 1.107 3.082 -3.000 385 H CYS 599 HN CYS 599 -0.767 1.285 -1.893 386 HA CYS 599 HA CYS 599 -2.990 0.276 -3.367 387 HB2 CYS 599 HB2 CYS 599 -0.755 -1.114 -1.896 388 HB3 CYS 599 HB3 CYS 599 -1.986 -1.964 -2.829 389 H TYR 600 HN TYR 600 -2.279 0.588 0.042 390 HA TYR 600 HA TYR 600 -4.015 -1.365 1.036 391 HB2 TYR 600 HB2 TYR 600 -2.385 -0.124 2.438 392 HB3 TYR 600 HB3 TYR 600 -3.361 1.330 2.267 393 HD1 TYR 600 HD1 TYR 600 -3.986 -2.241 3.198 394 HD2 TYR 600 HD2 TYR 600 -4.574 1.864 4.167 395 HE1 TYR 600 HE1 TYR 600 -5.263 -2.903 5.191 396 HE2 TYR 600 HE2 TYR 600 -5.864 1.212 6.161 397 HH TYR 600 HH TYR 600 -7.107 -0.663 7.035 398 H HIS 601 HN HIS 601 -4.586 1.890 -0.114 399 HA HIS 601 HA HIS 601 -7.366 1.940 0.529 400 HB2 HIS 601 HB2 HIS 601 -5.765 3.640 -1.388 401 HB3 HIS 601 HB3 HIS 601 -7.434 3.943 -0.921 402 HD2 HIS 601 HD2 HIS 601 -3.958 3.698 0.914 403 HE1 HIS 601 HE1 HIS 601 -6.506 6.407 2.941 404 HE2 HIS 601 HE2 HIS 601 -4.133 5.536 2.756 405 H GLU 602 HN GLU 602 -5.517 1.114 -2.403 406 HA GLU 602 HA GLU 602 -7.809 0.986 -4.075 407 HB2 GLU 602 HB2 GLU 602 -6.398 0.009 -5.754 408 HB3 GLU 602 HB3 GLU 602 -5.485 1.267 -4.937 409 HG2 GLU 602 HG2 GLU 602 -4.397 -0.505 -3.568 410 HG3 GLU 602 HG3 GLU 602 -5.214 -1.706 -4.565 411 H THR 603 HN THR 603 -6.377 -1.247 -1.847 412 HA THR 603 HA THR 603 -7.840 -3.506 -2.947 413 HB THR 603 HB THR 603 -5.563 -3.828 -1.994 414 HG1 THR 603 HG1 THR 603 -7.812 -5.239 -1.032 415 HG21 THR 603 HG21 THR 603 -5.309 -3.944 0.446 416 HG22 THR 603 HG22 THR 603 -6.955 -3.339 0.643 417 HG23 THR 603 HG23 THR 603 -5.718 -2.311 -0.081 Start of MODEL 7 1 H GLY 548 HN GLY 548 3.000 9.513 0.704 2 HA2 GLY 548 HA2 GLY 548 4.784 9.329 -0.795 3 HA3 GLY 548 HA3 GLY 548 5.308 10.947 -0.334 4 H LYS 549 HN LYS 549 4.561 8.997 2.286 5 HA LYS 549 HA LYS 549 7.260 8.960 3.185 6 HB2 LYS 549 HB2 LYS 549 4.704 7.859 4.349 7 HB3 LYS 549 HB3 LYS 549 6.269 7.664 5.135 8 HG2 LYS 549 HG2 LYS 549 5.079 10.323 4.381 9 HG3 LYS 549 HG3 LYS 549 4.940 9.588 5.982 10 HD2 LYS 549 HD2 LYS 549 7.272 9.694 6.336 11 HD3 LYS 549 HD3 LYS 549 7.585 10.051 4.636 12 HE2 LYS 549 HE2 LYS 549 6.059 11.878 6.483 13 HE3 LYS 549 HE3 LYS 549 7.792 12.008 6.197 14 HZ1 LYS 549 HZ1 LYS 549 6.775 13.535 4.748 15 HZ2 LYS 549 HZ2 LYS 549 5.589 12.437 4.265 16 HZ3 LYS 549 HZ3 LYS 549 7.195 12.219 3.759 17 H TYR 550 HN TYR 550 8.530 7.221 3.655 18 HA TYR 550 HA TYR 550 7.955 4.795 2.098 19 HB2 TYR 550 HB2 TYR 550 10.183 4.748 1.290 20 HB3 TYR 550 HB3 TYR 550 9.615 6.397 1.049 21 HD1 TYR 550 HD1 TYR 550 12.006 4.268 2.759 22 HD2 TYR 550 HD2 TYR 550 10.463 8.226 2.534 23 HE1 TYR 550 HE1 TYR 550 13.953 5.085 4.016 24 HE2 TYR 550 HE2 TYR 550 12.408 9.055 3.794 25 HH TYR 550 HH TYR 550 14.091 8.125 5.421 26 H VAL 551 HN VAL 551 9.187 2.917 2.833 27 HA VAL 551 HA VAL 551 9.906 3.088 5.691 28 HB VAL 551 HB VAL 551 8.818 0.702 4.175 29 HG11 VAL 551 HG11 VAL 551 9.531 0.986 7.094 30 HG12 VAL 551 HG12 VAL 551 10.394 0.021 5.897 31 HG13 VAL 551 HG13 VAL 551 8.749 -0.413 6.360 32 HG21 VAL 551 HG21 VAL 551 6.835 0.941 5.581 33 HG22 VAL 551 HG22 VAL 551 7.106 2.384 4.602 34 HG23 VAL 551 HG23 VAL 551 7.526 2.389 6.316 35 H VAL 552 HN VAL 552 11.894 2.422 6.240 36 HA VAL 552 HA VAL 552 13.888 2.095 4.286 37 HB VAL 552 HB VAL 552 14.016 1.356 7.222 38 HG11 VAL 552 HG11 VAL 552 16.431 1.688 6.967 39 HG12 VAL 552 HG12 VAL 552 16.208 1.973 5.241 40 HG13 VAL 552 HG13 VAL 552 15.838 0.392 5.929 41 HG21 VAL 552 HG21 VAL 552 13.323 3.687 6.870 42 HG22 VAL 552 HG22 VAL 552 14.755 3.953 5.874 43 HG23 VAL 552 HG23 VAL 552 14.928 3.575 7.588 44 H VAL 553 HN VAL 553 14.736 0.327 3.353 45 HA VAL 553 HA VAL 553 13.211 -2.018 3.232 46 HB VAL 553 HB VAL 553 16.080 -1.615 2.374 47 HG11 VAL 553 HG11 VAL 553 14.072 -3.718 1.578 48 HG12 VAL 553 HG12 VAL 553 15.524 -3.971 2.544 49 HG13 VAL 553 HG13 VAL 553 15.662 -3.498 0.850 50 HG21 VAL 553 HG21 VAL 553 15.133 -1.212 0.152 51 HG22 VAL 553 HG22 VAL 553 14.576 -0.017 1.325 52 HG23 VAL 553 HG23 VAL 553 13.508 -1.331 0.825 53 HA PRO 554 HA PRO 554 14.752 -4.124 6.864 54 HB2 PRO 554 HB2 PRO 554 13.061 -6.304 5.893 55 HB3 PRO 554 HB3 PRO 554 12.926 -5.368 7.382 56 HG2 PRO 554 HG2 PRO 554 11.161 -5.141 5.338 57 HG3 PRO 554 HG3 PRO 554 11.554 -3.799 6.425 58 HD2 PRO 554 HD2 PRO 554 12.501 -4.315 3.635 59 HD3 PRO 554 HD3 PRO 554 12.089 -2.780 4.426 60 H GLU 555 HN GLU 555 16.404 -5.492 7.116 61 HA GLU 555 HA GLU 555 17.734 -6.600 4.832 62 HB2 GLU 555 HB2 GLU 555 18.249 -7.155 7.763 63 HB3 GLU 555 HB3 GLU 555 19.357 -7.455 6.433 64 HG2 GLU 555 HG2 GLU 555 19.599 -5.081 6.053 65 HG3 GLU 555 HG3 GLU 555 18.396 -4.731 7.295 66 H THR 556 HN THR 556 15.660 -7.821 7.355 67 HA THR 556 HA THR 556 16.096 -10.572 6.517 68 HB THR 556 HB THR 556 14.624 -11.088 8.521 69 HG1 THR 556 HG1 THR 556 13.597 -9.124 8.843 70 HG21 THR 556 HG21 THR 556 17.156 -9.517 9.041 71 HG22 THR 556 HG22 THR 556 17.081 -11.225 8.612 72 HG23 THR 556 HG23 THR 556 16.408 -10.673 10.144 73 H SER 557 HN SER 557 15.020 -10.421 4.480 74 HA SER 557 HA SER 557 12.252 -11.156 4.726 75 HB2 SER 557 HB2 SER 557 12.093 -8.688 4.566 76 HB3 SER 557 HB3 SER 557 12.981 -8.736 3.048 77 HG SER 557 HG SER 557 10.351 -9.372 3.595 78 H GLN 558 HN GLN 558 13.226 -9.884 1.690 79 HA GLN 558 HA GLN 558 14.260 -12.503 0.835 80 HB2 GLN 558 HB2 GLN 558 12.470 -10.638 -0.744 81 HB3 GLN 558 HB3 GLN 558 13.252 -12.066 -1.402 82 HG2 GLN 558 HG2 GLN 558 12.009 -13.410 0.316 83 HG3 GLN 558 HG3 GLN 558 11.097 -11.948 0.683 84 HE21 GLN 558 HE21 GLN 558 10.227 -14.522 -0.392 85 HE22 GLN 558 HE22 GLN 558 9.427 -14.161 -1.883 86 H ASP 559 HN ASP 559 14.436 -10.991 -1.883 87 HA ASP 559 HA ASP 559 17.164 -10.141 -1.583 88 HB2 ASP 559 HB2 ASP 559 15.398 -9.659 -3.987 89 HB3 ASP 559 HB3 ASP 559 17.147 -9.834 -3.947 90 H MET 560 HN MET 560 15.829 -8.578 0.140 91 HA MET 560 HA MET 560 15.166 -6.497 0.768 92 HB2 MET 560 HB2 MET 560 16.878 -5.747 -1.606 93 HB3 MET 560 HB3 MET 560 16.159 -4.559 -0.529 94 HG2 MET 560 HG2 MET 560 17.378 -5.529 1.355 95 HG3 MET 560 HG3 MET 560 18.111 -6.708 0.267 96 HE1 MET 560 HE1 MET 560 19.738 -4.724 2.230 97 HE2 MET 560 HE2 MET 560 21.071 -4.271 1.169 98 HE3 MET 560 HE3 MET 560 20.500 -5.939 1.204 99 H ALA 561 HN ALA 561 13.485 -8.045 -0.950 100 HA ALA 561 HA ALA 561 11.807 -5.942 -2.062 101 HB1 ALA 561 HB1 ALA 561 13.235 -6.678 -3.917 102 HB2 ALA 561 HB2 ALA 561 11.544 -7.103 -4.186 103 HB3 ALA 561 HB3 ALA 561 12.693 -8.341 -3.671 104 H PHE 562 HN PHE 562 9.643 -6.690 -2.540 105 HA PHE 562 HA PHE 562 8.877 -9.365 -1.712 106 HB2 PHE 562 HB2 PHE 562 7.225 -8.716 -0.112 107 HB3 PHE 562 HB3 PHE 562 8.704 -7.894 0.363 108 HD1 PHE 562 HD1 PHE 562 5.302 -7.522 -0.821 109 HD2 PHE 562 HD2 PHE 562 8.918 -5.455 0.043 110 HE1 PHE 562 HE1 PHE 562 4.073 -5.397 -0.810 111 HE2 PHE 562 HE2 PHE 562 7.692 -3.320 0.062 112 HZ PHE 562 HZ PHE 562 5.261 -3.290 -0.364 113 H LYS 563 HN LYS 563 6.509 -9.737 -2.393 114 HA LYS 563 HA LYS 563 6.013 -8.019 -4.727 115 HB2 LYS 563 HB2 LYS 563 6.378 -10.487 -5.140 116 HB3 LYS 563 HB3 LYS 563 4.867 -10.782 -4.286 117 HG2 LYS 563 HG2 LYS 563 4.029 -8.938 -6.048 118 HG3 LYS 563 HG3 LYS 563 5.339 -9.660 -6.976 119 HD2 LYS 563 HD2 LYS 563 2.888 -11.000 -5.868 120 HD3 LYS 563 HD3 LYS 563 3.361 -10.801 -7.555 121 HE2 LYS 563 HE2 LYS 563 4.983 -12.388 -5.590 122 HE3 LYS 563 HE3 LYS 563 3.682 -13.101 -6.541 123 HZ1 LYS 563 HZ1 LYS 563 6.102 -11.770 -7.649 124 HZ2 LYS 563 HZ2 LYS 563 4.848 -12.476 -8.550 125 HZ3 LYS 563 HZ3 LYS 563 5.832 -13.443 -7.568 126 H CYS 564 HN CYS 564 4.306 -6.777 -4.780 127 HA CYS 564 HA CYS 564 2.624 -6.443 -2.501 128 HB2 CYS 564 HB2 CYS 564 3.381 -4.611 -3.983 129 HB3 CYS 564 HB3 CYS 564 2.464 -5.305 -5.308 130 HA PRO 565 HA PRO 565 -0.046 -9.793 -3.836 131 HB2 PRO 565 HB2 PRO 565 -1.583 -9.135 -1.415 132 HB3 PRO 565 HB3 PRO 565 -0.736 -10.627 -1.835 133 HG2 PRO 565 HG2 PRO 565 0.185 -8.990 0.078 134 HG3 PRO 565 HG3 PRO 565 1.291 -9.859 -1.004 135 HD2 PRO 565 HD2 PRO 565 0.370 -7.004 -1.137 136 HD3 PRO 565 HD3 PRO 565 2.009 -7.664 -1.336 137 H ILE 566 HN ILE 566 -1.212 -6.612 -2.929 138 HA ILE 566 HA ILE 566 -3.939 -7.128 -3.497 139 HB ILE 566 HB ILE 566 -2.574 -4.434 -3.344 140 HG12 ILE 566 HG12 ILE 566 -3.793 -6.137 -1.154 141 HG13 ILE 566 HG13 ILE 566 -2.089 -5.730 -1.320 142 HG21 ILE 566 HG21 ILE 566 -4.819 -4.290 -4.262 143 HG22 ILE 566 HG22 ILE 566 -4.813 -3.657 -2.611 144 HG23 ILE 566 HG23 ILE 566 -5.443 -5.270 -2.935 145 HD11 ILE 566 HD11 ILE 566 -4.327 -3.792 -0.784 146 HD12 ILE 566 HD12 ILE 566 -2.618 -3.379 -0.932 147 HD13 ILE 566 HD13 ILE 566 -3.171 -4.397 0.401 148 H CYS 567 HN CYS 567 -1.251 -5.930 -5.420 149 HA CYS 567 HA CYS 567 -3.075 -5.754 -7.705 150 HB2 CYS 567 HB2 CYS 567 -1.885 -3.778 -8.531 151 HB3 CYS 567 HB3 CYS 567 -2.629 -3.489 -6.959 152 H LYS 568 HN LYS 568 -0.520 -7.401 -6.541 153 HA LYS 568 HA LYS 568 0.813 -8.983 -7.502 154 HB2 LYS 568 HB2 LYS 568 -0.400 -8.066 -10.107 155 HB3 LYS 568 HB3 LYS 568 0.605 -9.487 -9.903 156 HG2 LYS 568 HG2 LYS 568 -1.920 -9.192 -8.339 157 HG3 LYS 568 HG3 LYS 568 -1.962 -9.740 -10.013 158 HD2 LYS 568 HD2 LYS 568 -0.425 -11.569 -9.438 159 HD3 LYS 568 HD3 LYS 568 -0.433 -11.031 -7.755 160 HE2 LYS 568 HE2 LYS 568 -2.741 -11.545 -7.515 161 HE3 LYS 568 HE3 LYS 568 -2.939 -11.781 -9.250 162 HZ1 LYS 568 HZ1 LYS 568 -2.833 -13.867 -7.935 163 HZ2 LYS 568 HZ2 LYS 568 -1.224 -13.499 -7.536 164 HZ3 LYS 568 HZ3 LYS 568 -1.656 -13.766 -9.152 165 H GLU 569 HN GLU 569 1.771 -6.169 -7.154 166 HA GLU 569 HA GLU 569 3.699 -5.873 -9.339 167 HB2 GLU 569 HB2 GLU 569 3.306 -4.303 -6.787 168 HB3 GLU 569 HB3 GLU 569 4.541 -3.945 -7.977 169 HG2 GLU 569 HG2 GLU 569 2.868 -3.355 -9.600 170 HG3 GLU 569 HG3 GLU 569 1.582 -3.845 -8.488 171 H THR 570 HN THR 570 5.703 -6.851 -9.218 172 HA THR 570 HA THR 570 6.820 -7.723 -6.745 173 HB THR 570 HB THR 570 8.259 -7.170 -9.359 174 HG1 THR 570 HG1 THR 570 7.156 -8.862 -10.007 175 HG21 THR 570 HG21 THR 570 9.931 -8.732 -8.508 176 HG22 THR 570 HG22 THR 570 9.012 -8.927 -7.016 177 HG23 THR 570 HG23 THR 570 9.742 -7.370 -7.401 178 H VAL 571 HN VAL 571 7.674 -6.431 -5.207 179 HA VAL 571 HA VAL 571 8.126 -3.614 -5.903 180 HB VAL 571 HB VAL 571 7.824 -4.795 -3.139 181 HG11 VAL 571 HG11 VAL 571 8.896 -2.627 -3.160 182 HG12 VAL 571 HG12 VAL 571 7.259 -2.479 -2.511 183 HG13 VAL 571 HG13 VAL 571 7.603 -1.969 -4.166 184 HG21 VAL 571 HG21 VAL 571 5.815 -5.262 -4.449 185 HG22 VAL 571 HG22 VAL 571 5.694 -3.555 -4.875 186 HG23 VAL 571 HG23 VAL 571 5.502 -4.057 -3.197 187 H THR 572 HN THR 572 10.151 -3.032 -6.200 188 HA THR 572 HA THR 572 12.277 -4.300 -4.615 189 HB THR 572 HB THR 572 13.816 -3.353 -6.373 190 HG1 THR 572 HG1 THR 572 12.060 -1.841 -7.111 191 HG21 THR 572 HG21 THR 572 13.295 -5.065 -8.059 192 HG22 THR 572 HG22 THR 572 11.698 -5.283 -7.342 193 HG23 THR 572 HG23 THR 572 13.142 -5.705 -6.421 194 H GLY 573 HN GLY 573 14.064 -2.809 -3.909 195 HA2 GLY 573 HA2 GLY 573 13.033 -0.069 -3.529 196 HA3 GLY 573 HA3 GLY 573 13.709 -0.987 -2.187 197 H VAL 574 HN VAL 574 14.642 1.515 -3.054 198 HA VAL 574 HA VAL 574 17.209 0.847 -4.351 199 HB VAL 574 HB VAL 574 15.720 3.467 -4.573 200 HG11 VAL 574 HG11 VAL 574 18.094 2.426 -6.111 201 HG12 VAL 574 HG12 VAL 574 18.140 3.659 -4.851 202 HG13 VAL 574 HG13 VAL 574 17.288 3.976 -6.362 203 HG21 VAL 574 HG21 VAL 574 15.190 2.818 -6.877 204 HG22 VAL 574 HG22 VAL 574 14.443 1.737 -5.698 205 HG23 VAL 574 HG23 VAL 574 15.883 1.224 -6.579 206 H TYR 575 HN TYR 575 19.050 1.918 -3.585 207 HA TYR 575 HA TYR 575 18.842 2.867 -0.861 208 HB2 TYR 575 HB2 TYR 575 20.695 1.394 -1.485 209 HB3 TYR 575 HB3 TYR 575 21.241 2.563 -2.682 210 HD1 TYR 575 HD1 TYR 575 22.988 3.928 -2.098 211 HD2 TYR 575 HD2 TYR 575 20.453 2.435 0.966 212 HE1 TYR 575 HE1 TYR 575 24.397 5.026 -0.405 213 HE2 TYR 575 HE2 TYR 575 21.852 3.518 2.670 214 HH TYR 575 HH TYR 575 24.247 5.824 1.888 215 H ASP 576 HN ASP 576 18.475 4.917 -0.378 216 HA ASP 576 HA ASP 576 19.019 6.973 -2.387 217 HB2 ASP 576 HB2 ASP 576 16.792 7.063 -1.415 218 HB3 ASP 576 HB3 ASP 576 17.472 7.113 0.211 219 H GLU 577 HN GLU 577 20.890 7.981 -2.304 220 HA GLU 577 HA GLU 577 22.723 7.556 -0.186 221 HB2 GLU 577 HB2 GLU 577 22.909 9.525 -2.469 222 HB3 GLU 577 HB3 GLU 577 24.242 8.935 -1.485 223 HG2 GLU 577 HG2 GLU 577 23.714 6.629 -2.316 224 HG3 GLU 577 HG3 GLU 577 22.576 7.371 -3.440 225 H GLU 578 HN GLU 578 20.383 10.032 -0.773 226 HA GLU 578 HA GLU 578 21.728 12.087 0.705 227 HB2 GLU 578 HB2 GLU 578 18.811 11.878 -0.062 228 HB3 GLU 578 HB3 GLU 578 19.633 13.328 0.502 229 HG2 GLU 578 HG2 GLU 578 21.128 13.148 -1.499 230 HG3 GLU 578 HG3 GLU 578 20.084 11.857 -2.088 231 H SER 579 HN SER 579 19.120 9.793 1.397 232 HA SER 579 HA SER 579 19.028 10.612 4.175 233 HB2 SER 579 HB2 SER 579 17.334 8.805 4.390 234 HB3 SER 579 HB3 SER 579 16.941 9.964 3.120 235 HG SER 579 HG SER 579 17.516 8.501 1.588 236 H GLY 580 HN GLY 580 20.568 8.202 2.245 237 HA2 GLY 580 HA2 GLY 580 22.384 6.878 2.804 238 HA3 GLY 580 HA3 GLY 580 22.220 7.408 4.473 239 H GLU 581 HN GLU 581 19.363 6.245 3.021 240 HA GLU 581 HA GLU 581 19.729 3.595 4.247 241 HB2 GLU 581 HB2 GLU 581 17.421 5.504 4.604 242 HB3 GLU 581 HB3 GLU 581 17.273 3.784 4.933 243 HG2 GLU 581 HG2 GLU 581 19.282 5.589 6.259 244 HG3 GLU 581 HG3 GLU 581 17.699 5.205 6.931 245 H TRP 582 HN TRP 582 18.227 1.979 3.431 246 HA TRP 582 HA TRP 582 17.679 2.284 0.605 247 HB2 TRP 582 HB2 TRP 582 17.235 -0.016 2.518 248 HB3 TRP 582 HB3 TRP 582 16.852 -0.086 0.798 249 HD1 TRP 582 HD1 TRP 582 19.892 0.228 3.155 250 HE1 TRP 582 HE1 TRP 582 21.977 -0.618 1.899 251 HE3 TRP 582 HE3 TRP 582 17.785 -0.557 -1.421 252 HZ2 TRP 582 HZ2 TRP 582 22.628 -1.503 -0.708 253 HZ3 TRP 582 HZ3 TRP 582 19.192 -1.398 -3.247 254 HH2 TRP 582 HH2 TRP 582 21.572 -1.864 -2.896 255 H VAL 583 HN VAL 583 15.680 2.533 -0.311 256 HA VAL 583 HA VAL 583 13.559 3.158 1.642 257 HB VAL 583 HB VAL 583 12.731 4.841 0.117 258 HG11 VAL 583 HG11 VAL 583 15.719 5.078 0.468 259 HG12 VAL 583 HG12 VAL 583 14.495 5.536 1.651 260 HG13 VAL 583 HG13 VAL 583 14.619 6.409 0.124 261 HG21 VAL 583 HG21 VAL 583 13.268 3.698 -1.984 262 HG22 VAL 583 HG22 VAL 583 14.978 4.045 -1.729 263 HG23 VAL 583 HG23 VAL 583 13.838 5.369 -1.984 264 H TRP 584 HN TRP 584 11.717 2.051 1.566 265 HA TRP 584 HA TRP 584 10.753 1.118 -1.056 266 HB2 TRP 584 HB2 TRP 584 9.984 0.378 1.769 267 HB3 TRP 584 HB3 TRP 584 8.902 0.058 0.420 268 HD1 TRP 584 HD1 TRP 584 11.988 -0.574 -1.179 269 HE1 TRP 584 HE1 TRP 584 12.708 -3.024 -1.050 270 HE3 TRP 584 HE3 TRP 584 8.949 -2.079 2.626 271 HZ2 TRP 584 HZ2 TRP 584 12.068 -5.324 0.486 272 HZ3 TRP 584 HZ3 TRP 584 9.061 -4.422 3.379 273 HH2 TRP 584 HH2 TRP 584 10.592 -6.008 2.326 274 H LYS 585 HN LYS 585 9.813 2.846 -2.007 275 HA LYS 585 HA LYS 585 8.643 4.948 -0.458 276 HB2 LYS 585 HB2 LYS 585 8.416 6.163 -2.461 277 HB3 LYS 585 HB3 LYS 585 9.899 5.246 -2.656 278 HG2 LYS 585 HG2 LYS 585 7.254 4.364 -3.778 279 HG3 LYS 585 HG3 LYS 585 8.407 5.356 -4.670 280 HD2 LYS 585 HD2 LYS 585 9.018 2.630 -3.522 281 HD3 LYS 585 HD3 LYS 585 8.546 2.925 -5.194 282 HE2 LYS 585 HE2 LYS 585 10.977 4.082 -3.832 283 HE3 LYS 585 HE3 LYS 585 10.979 2.711 -4.943 284 HZ1 LYS 585 HZ1 LYS 585 11.583 4.681 -6.135 285 HZ2 LYS 585 HZ2 LYS 585 10.219 5.513 -5.574 286 HZ3 LYS 585 HZ3 LYS 585 10.035 4.207 -6.648 287 H ASN 586 HN ASN 586 6.528 5.609 -0.373 288 HA ASN 586 HA ASN 586 4.316 5.275 -0.000 289 HB2 ASN 586 HB2 ASN 586 4.325 4.017 -2.753 290 HB3 ASN 586 HB3 ASN 586 2.979 4.797 -1.944 291 HD21 ASN 586 HD21 ASN 586 4.247 5.357 -4.514 292 HD22 ASN 586 HD22 ASN 586 4.733 7.018 -4.458 293 H THR 587 HN THR 587 5.641 3.442 1.328 294 HA THR 587 HA THR 587 4.116 0.957 0.899 295 HB THR 587 HB THR 587 6.975 1.139 1.891 296 HG1 THR 587 HG1 THR 587 6.478 1.505 -0.468 297 HG21 THR 587 HG21 THR 587 5.706 -0.746 2.836 298 HG22 THR 587 HG22 THR 587 6.971 -1.291 1.735 299 HG23 THR 587 HG23 THR 587 5.289 -1.272 1.205 300 H ILE 588 HN ILE 588 3.293 -0.007 2.747 301 HA ILE 588 HA ILE 588 3.908 1.210 5.346 302 HB ILE 588 HB ILE 588 1.884 2.356 4.493 303 HG12 ILE 588 HG12 ILE 588 1.305 0.453 6.773 304 HG13 ILE 588 HG13 ILE 588 2.154 1.989 6.917 305 HG21 ILE 588 HG21 ILE 588 -0.207 1.109 4.215 306 HG22 ILE 588 HG22 ILE 588 0.675 -0.402 4.438 307 HG23 ILE 588 HG23 ILE 588 1.020 0.625 3.046 308 HD11 ILE 588 HD11 ILE 588 -0.720 1.602 6.111 309 HD12 ILE 588 HD12 ILE 588 0.123 3.150 6.195 310 HD13 ILE 588 HD13 ILE 588 -0.128 2.204 7.662 311 H GLU 589 HN GLU 589 3.594 -0.211 7.099 312 HA GLU 589 HA GLU 589 3.280 -3.019 6.306 313 HB2 GLU 589 HB2 GLU 589 5.415 -2.439 7.396 314 HB3 GLU 589 HB3 GLU 589 4.545 -1.844 8.802 315 HG2 GLU 589 HG2 GLU 589 4.143 -4.673 7.919 316 HG3 GLU 589 HG3 GLU 589 5.611 -4.229 8.794 317 H VAL 590 HN VAL 590 1.477 -3.999 6.790 318 HA VAL 590 HA VAL 590 -0.046 -3.205 9.168 319 HB VAL 590 HB VAL 590 -1.261 -3.761 6.449 320 HG11 VAL 590 HG11 VAL 590 -2.630 -4.606 8.281 321 HG12 VAL 590 HG12 VAL 590 -3.394 -3.230 7.487 322 HG13 VAL 590 HG13 VAL 590 -2.596 -3.016 9.045 323 HG21 VAL 590 HG21 VAL 590 -1.122 -1.188 8.014 324 HG22 VAL 590 HG22 VAL 590 -1.994 -1.430 6.501 325 HG23 VAL 590 HG23 VAL 590 -0.237 -1.559 6.535 326 H ASN 591 HN ASN 591 -0.602 -4.921 10.362 327 HA ASN 591 HA ASN 591 -0.880 -7.052 11.090 328 HB2 ASN 591 HB2 ASN 591 -2.696 -6.963 9.363 329 HB3 ASN 591 HB3 ASN 591 -1.576 -7.662 8.200 330 HD21 ASN 591 HD21 ASN 591 -1.772 -8.583 11.599 331 HD22 ASN 591 HD22 ASN 591 -2.355 -10.185 11.301 332 H GLY 592 HN GLY 592 1.750 -6.184 10.203 333 HA2 GLY 592 HA2 GLY 592 3.820 -7.208 10.268 334 HA3 GLY 592 HA3 GLY 592 3.017 -8.769 10.241 335 H LYS 593 HN LYS 593 1.968 -6.706 7.769 336 HA LYS 593 HA LYS 593 3.814 -7.979 5.868 337 HB2 LYS 593 HB2 LYS 593 0.854 -7.505 5.467 338 HB3 LYS 593 HB3 LYS 593 1.954 -8.206 4.290 339 HG2 LYS 593 HG2 LYS 593 1.306 -9.417 6.968 340 HG3 LYS 593 HG3 LYS 593 0.548 -9.875 5.440 341 HD2 LYS 593 HD2 LYS 593 2.667 -10.625 4.567 342 HD3 LYS 593 HD3 LYS 593 3.511 -10.025 5.997 343 HE2 LYS 593 HE2 LYS 593 3.213 -12.429 6.122 344 HE3 LYS 593 HE3 LYS 593 2.291 -11.615 7.385 345 HZ1 LYS 593 HZ1 LYS 593 1.225 -12.737 4.848 346 HZ2 LYS 593 HZ2 LYS 593 0.309 -11.836 5.954 347 HZ3 LYS 593 HZ3 LYS 593 0.960 -13.329 6.416 348 H TYR 594 HN TYR 594 4.572 -6.719 4.258 349 HA TYR 594 HA TYR 594 3.997 -3.880 4.449 350 HB2 TYR 594 HB2 TYR 594 6.074 -5.424 2.888 351 HB3 TYR 594 HB3 TYR 594 5.876 -3.677 2.785 352 HD1 TYR 594 HD1 TYR 594 6.475 -2.241 4.650 353 HD2 TYR 594 HD2 TYR 594 7.037 -6.443 4.873 354 HE1 TYR 594 HE1 TYR 594 7.940 -1.931 6.600 355 HE2 TYR 594 HE2 TYR 594 8.503 -6.156 6.825 356 HH TYR 594 HH TYR 594 8.719 -3.263 8.554 357 H PHE 595 HN PHE 595 2.795 -2.794 3.065 358 HA PHE 595 HA PHE 595 2.248 -3.923 0.405 359 HB2 PHE 595 HB2 PHE 595 0.180 -2.546 2.154 360 HB3 PHE 595 HB3 PHE 595 -0.080 -3.159 0.530 361 HD1 PHE 595 HD1 PHE 595 -0.172 -5.606 0.140 362 HD2 PHE 595 HD2 PHE 595 0.066 -3.938 4.047 363 HE1 PHE 595 HE1 PHE 595 -0.948 -7.737 1.093 364 HE2 PHE 595 HE2 PHE 595 -0.695 -6.067 5.003 365 HZ PHE 595 HZ PHE 595 -1.204 -7.972 3.528 366 H HIS 596 HN HIS 596 1.908 -2.310 -1.211 367 HA HIS 596 HA HIS 596 3.063 0.226 -0.808 368 HB2 HIS 596 HB2 HIS 596 1.112 -0.765 -2.901 369 HB3 HIS 596 HB3 HIS 596 1.737 0.879 -2.902 370 HD2 HIS 596 HD2 HIS 596 4.882 0.201 -2.348 371 HE1 HIS 596 HE1 HIS 596 4.476 -2.099 -5.874 372 HE2 HIS 596 HE2 HIS 596 6.092 -0.820 -4.394 373 H SER 597 HN SER 597 2.291 2.004 0.094 374 HA SER 597 HA SER 597 -0.062 1.943 1.644 375 HB2 SER 597 HB2 SER 597 1.939 3.314 2.186 376 HB3 SER 597 HB3 SER 597 1.589 4.347 0.804 377 HG SER 597 HG SER 597 0.262 4.128 3.257 378 H THR 598 HN THR 598 0.654 3.097 -1.560 379 HA THR 598 HA THR 598 -1.732 4.518 -2.006 380 HB THR 598 HB THR 598 0.030 4.943 -3.516 381 HG1 THR 598 HG1 THR 598 -2.160 4.703 -4.460 382 HG21 THR 598 HG21 THR 598 1.030 3.223 -4.971 383 HG22 THR 598 HG22 THR 598 0.077 1.989 -4.144 384 HG23 THR 598 HG23 THR 598 1.305 2.896 -3.260 385 H CYS 599 HN CYS 599 -0.830 1.141 -2.448 386 HA CYS 599 HA CYS 599 -3.263 0.385 -3.756 387 HB2 CYS 599 HB2 CYS 599 -1.115 -1.324 -2.485 388 HB3 CYS 599 HB3 CYS 599 -2.402 -1.909 -3.529 389 H TYR 600 HN TYR 600 -2.115 0.486 -0.476 390 HA TYR 600 HA TYR 600 -3.679 -1.488 0.706 391 HB2 TYR 600 HB2 TYR 600 -1.845 -0.547 1.919 392 HB3 TYR 600 HB3 TYR 600 -2.530 1.070 1.825 393 HD1 TYR 600 HD1 TYR 600 -3.805 1.885 3.572 394 HD2 TYR 600 HD2 TYR 600 -3.217 -2.308 3.241 395 HE1 TYR 600 HE1 TYR 600 -4.901 1.572 5.749 396 HE2 TYR 600 HE2 TYR 600 -4.312 -2.645 5.419 397 HH TYR 600 HH TYR 600 -4.764 -1.341 7.469 398 H HIS 601 HN HIS 601 -4.522 1.760 -0.209 399 HA HIS 601 HA HIS 601 -6.632 2.226 1.544 400 HB2 HIS 601 HB2 HIS 601 -6.124 3.312 -1.223 401 HB3 HIS 601 HB3 HIS 601 -7.373 3.928 -0.140 402 HD2 HIS 601 HD2 HIS 601 -5.507 3.919 2.592 403 HE1 HIS 601 HE1 HIS 601 -3.149 6.627 0.365 404 HE2 HIS 601 HE2 HIS 601 -3.564 5.627 2.651 405 H GLU 602 HN GLU 602 -6.589 0.238 -1.340 406 HA GLU 602 HA GLU 602 -9.347 0.357 -1.910 407 HB2 GLU 602 HB2 GLU 602 -9.042 -1.669 -3.222 408 HB3 GLU 602 HB3 GLU 602 -7.726 -0.547 -3.514 409 HG2 GLU 602 HG2 GLU 602 -6.682 -2.619 -3.404 410 HG3 GLU 602 HG3 GLU 602 -6.412 -1.928 -1.810 411 H THR 603 HN THR 603 -7.541 -1.390 0.486 412 HA THR 603 HA THR 603 -9.585 -3.315 1.044 413 HB THR 603 HB THR 603 -6.907 -2.638 2.110 414 HG1 THR 603 HG1 THR 603 -7.457 -4.337 0.553 415 HG21 THR 603 HG21 THR 603 -7.156 -4.052 4.095 416 HG22 THR 603 HG22 THR 603 -8.881 -4.216 3.774 417 HG23 THR 603 HG23 THR 603 -8.208 -2.643 4.195 Start of MODEL 8 1 H GLY 548 HN GLY 548 3.051 8.918 1.664 2 HA2 GLY 548 HA2 GLY 548 5.059 9.648 0.648 3 HA3 GLY 548 HA3 GLY 548 5.024 11.079 1.662 4 H LYS 549 HN LYS 549 4.387 8.388 3.554 5 HA LYS 549 HA LYS 549 7.034 8.478 4.690 6 HB2 LYS 549 HB2 LYS 549 4.597 6.846 5.412 7 HB3 LYS 549 HB3 LYS 549 6.125 6.755 6.279 8 HG2 LYS 549 HG2 LYS 549 5.902 9.231 6.699 9 HG3 LYS 549 HG3 LYS 549 4.259 9.104 6.067 10 HD2 LYS 549 HD2 LYS 549 4.132 8.942 8.444 11 HD3 LYS 549 HD3 LYS 549 3.830 7.332 7.788 12 HE2 LYS 549 HE2 LYS 549 5.304 7.168 9.698 13 HE3 LYS 549 HE3 LYS 549 6.179 6.736 8.229 14 HZ1 LYS 549 HZ1 LYS 549 7.447 8.197 9.750 15 HZ2 LYS 549 HZ2 LYS 549 6.291 9.414 9.513 16 HZ3 LYS 549 HZ3 LYS 549 7.231 8.873 8.211 17 H TYR 550 HN TYR 550 8.572 6.917 4.652 18 HA TYR 550 HA TYR 550 8.096 4.587 2.907 19 HB2 TYR 550 HB2 TYR 550 10.350 4.652 2.198 20 HB3 TYR 550 HB3 TYR 550 9.816 6.322 2.136 21 HD1 TYR 550 HD1 TYR 550 12.068 3.949 3.738 22 HD2 TYR 550 HD2 TYR 550 10.610 7.946 3.803 23 HE1 TYR 550 HE1 TYR 550 13.958 4.616 5.161 24 HE2 TYR 550 HE2 TYR 550 12.490 8.629 5.229 25 HH TYR 550 HH TYR 550 15.209 6.628 5.741 26 H VAL 551 HN VAL 551 9.283 2.647 3.544 27 HA VAL 551 HA VAL 551 9.882 2.565 6.438 28 HB VAL 551 HB VAL 551 8.816 0.275 4.764 29 HG11 VAL 551 HG11 VAL 551 9.178 0.544 7.747 30 HG12 VAL 551 HG12 VAL 551 10.195 -0.408 6.664 31 HG13 VAL 551 HG13 VAL 551 8.505 -0.851 6.903 32 HG21 VAL 551 HG21 VAL 551 7.346 2.000 6.759 33 HG22 VAL 551 HG22 VAL 551 6.696 0.576 5.942 34 HG23 VAL 551 HG23 VAL 551 7.115 2.014 5.010 35 H VAL 552 HN VAL 552 11.831 1.643 7.015 36 HA VAL 552 HA VAL 552 13.831 1.433 5.016 37 HB VAL 552 HB VAL 552 13.937 0.500 7.894 38 HG11 VAL 552 HG11 VAL 552 15.689 -0.524 6.539 39 HG12 VAL 552 HG12 VAL 552 16.372 0.666 7.648 40 HG13 VAL 552 HG13 VAL 552 16.172 1.065 5.942 41 HG21 VAL 552 HG21 VAL 552 15.030 2.639 8.340 42 HG22 VAL 552 HG22 VAL 552 13.406 2.877 7.692 43 HG23 VAL 552 HG23 VAL 552 14.810 3.108 6.653 44 H VAL 553 HN VAL 553 14.647 -0.283 3.953 45 HA VAL 553 HA VAL 553 13.073 -2.591 3.663 46 HB VAL 553 HB VAL 553 15.944 -2.171 2.819 47 HG11 VAL 553 HG11 VAL 553 15.319 -4.542 2.862 48 HG12 VAL 553 HG12 VAL 553 15.565 -3.959 1.217 49 HG13 VAL 553 HG13 VAL 553 13.930 -4.189 1.835 50 HG21 VAL 553 HG21 VAL 553 14.425 -0.502 1.891 51 HG22 VAL 553 HG22 VAL 553 13.372 -1.785 1.295 52 HG23 VAL 553 HG23 VAL 553 14.999 -1.607 0.639 53 HA PRO 554 HA PRO 554 14.524 -4.871 7.198 54 HB2 PRO 554 HB2 PRO 554 12.962 -7.080 6.131 55 HB3 PRO 554 HB3 PRO 554 12.695 -6.137 7.596 56 HG2 PRO 554 HG2 PRO 554 11.102 -6.011 5.369 57 HG3 PRO 554 HG3 PRO 554 11.254 -4.716 6.564 58 HD2 PRO 554 HD2 PRO 554 12.427 -4.928 3.836 59 HD3 PRO 554 HD3 PRO 554 11.932 -3.492 4.751 60 H GLU 555 HN GLU 555 16.252 -6.160 7.459 61 HA GLU 555 HA GLU 555 17.369 -7.523 5.146 62 HB2 GLU 555 HB2 GLU 555 18.446 -7.285 7.962 63 HB3 GLU 555 HB3 GLU 555 19.318 -7.918 6.571 64 HG2 GLU 555 HG2 GLU 555 19.216 -5.736 5.500 65 HG3 GLU 555 HG3 GLU 555 18.310 -5.099 6.871 66 H THR 556 HN THR 556 15.139 -8.208 7.443 67 HA THR 556 HA THR 556 15.806 -10.977 7.901 68 HB THR 556 HB THR 556 13.459 -11.050 8.863 69 HG1 THR 556 HG1 THR 556 12.355 -9.125 9.046 70 HG21 THR 556 HG21 THR 556 15.376 -8.983 9.951 71 HG22 THR 556 HG22 THR 556 15.415 -10.715 10.281 72 HG23 THR 556 HG23 THR 556 14.065 -9.738 10.858 73 H SER 557 HN SER 557 15.838 -10.366 5.243 74 HA SER 557 HA SER 557 13.908 -12.178 4.117 75 HB2 SER 557 HB2 SER 557 12.636 -10.048 4.096 76 HB3 SER 557 HB3 SER 557 13.969 -9.264 3.250 77 HG SER 557 HG SER 557 13.089 -9.946 1.483 78 H GLN 558 HN GLN 558 14.745 -13.078 2.239 79 HA GLN 558 HA GLN 558 17.538 -12.587 1.751 80 HB2 GLN 558 HB2 GLN 558 15.628 -14.405 0.274 81 HB3 GLN 558 HB3 GLN 558 17.380 -14.424 0.147 82 HG2 GLN 558 HG2 GLN 558 15.896 -14.959 2.704 83 HG3 GLN 558 HG3 GLN 558 16.364 -16.219 1.569 84 HE21 GLN 558 HE21 GLN 558 18.362 -13.413 2.301 85 HE22 GLN 558 HE22 GLN 558 19.599 -14.292 3.127 86 H ASP 559 HN ASP 559 14.520 -11.729 0.307 87 HA ASP 559 HA ASP 559 15.899 -10.430 -1.938 88 HB2 ASP 559 HB2 ASP 559 12.967 -11.045 -1.492 89 HB3 ASP 559 HB3 ASP 559 13.583 -10.133 -2.865 90 H MET 560 HN MET 560 15.949 -8.247 -2.097 91 HA MET 560 HA MET 560 15.047 -6.695 0.175 92 HB2 MET 560 HB2 MET 560 16.466 -5.852 -2.362 93 HB3 MET 560 HB3 MET 560 16.122 -4.789 -1.009 94 HG2 MET 560 HG2 MET 560 18.381 -5.415 -0.819 95 HG3 MET 560 HG3 MET 560 17.511 -6.320 0.417 96 HE1 MET 560 HE1 MET 560 19.798 -7.820 0.585 97 HE2 MET 560 HE2 MET 560 20.508 -6.908 -0.749 98 HE3 MET 560 HE3 MET 560 20.482 -8.671 -0.801 99 H ALA 561 HN ALA 561 13.206 -7.968 -1.853 100 HA ALA 561 HA ALA 561 11.515 -5.645 -2.330 101 HB1 ALA 561 HB1 ALA 561 12.828 -5.927 -4.392 102 HB2 ALA 561 HB2 ALA 561 11.117 -6.263 -4.655 103 HB3 ALA 561 HB3 ALA 561 12.265 -7.597 -4.512 104 H PHE 562 HN PHE 562 9.281 -6.201 -2.535 105 HA PHE 562 HA PHE 562 8.671 -9.036 -2.042 106 HB2 PHE 562 HB2 PHE 562 6.964 -8.478 -0.442 107 HB3 PHE 562 HB3 PHE 562 8.461 -7.714 0.065 108 HD1 PHE 562 HD1 PHE 562 5.062 -7.174 -1.142 109 HD2 PHE 562 HD2 PHE 562 8.712 -5.298 -0.016 110 HE1 PHE 562 HE1 PHE 562 3.895 -5.016 -0.954 111 HE2 PHE 562 HE2 PHE 562 7.550 -3.141 0.175 112 HZ PHE 562 HZ PHE 562 5.135 -2.997 -0.294 113 H LYS 563 HN LYS 563 6.654 -9.763 -2.856 114 HA LYS 563 HA LYS 563 5.869 -8.270 -5.229 115 HB2 LYS 563 HB2 LYS 563 6.384 -10.742 -5.287 116 HB3 LYS 563 HB3 LYS 563 4.945 -11.007 -4.316 117 HG2 LYS 563 HG2 LYS 563 4.273 -11.439 -6.506 118 HG3 LYS 563 HG3 LYS 563 3.678 -9.811 -6.179 119 HD2 LYS 563 HD2 LYS 563 5.602 -8.857 -7.330 120 HD3 LYS 563 HD3 LYS 563 6.243 -10.475 -7.625 121 HE2 LYS 563 HE2 LYS 563 4.162 -10.978 -8.904 122 HE3 LYS 563 HE3 LYS 563 3.705 -9.285 -8.728 123 HZ1 LYS 563 HZ1 LYS 563 4.729 -9.469 -10.815 124 HZ2 LYS 563 HZ2 LYS 563 6.001 -10.411 -10.216 125 HZ3 LYS 563 HZ3 LYS 563 5.909 -8.769 -9.816 126 H CYS 564 HN CYS 564 4.252 -6.859 -5.067 127 HA CYS 564 HA CYS 564 2.659 -6.543 -2.766 128 HB2 CYS 564 HB2 CYS 564 3.230 -4.717 -4.282 129 HB3 CYS 564 HB3 CYS 564 2.325 -5.479 -5.577 130 HA PRO 565 HA PRO 565 -0.171 -9.887 -3.732 131 HB2 PRO 565 HB2 PRO 565 -1.515 -8.990 -1.259 132 HB3 PRO 565 HB3 PRO 565 -0.800 -10.558 -1.642 133 HG2 PRO 565 HG2 PRO 565 0.374 -8.903 0.096 134 HG3 PRO 565 HG3 PRO 565 1.333 -9.886 -1.023 135 HD2 PRO 565 HD2 PRO 565 0.579 -6.989 -1.223 136 HD3 PRO 565 HD3 PRO 565 2.153 -7.762 -1.515 137 H ILE 566 HN ILE 566 -1.099 -6.586 -3.011 138 HA ILE 566 HA ILE 566 -3.874 -6.905 -3.485 139 HB ILE 566 HB ILE 566 -2.237 -4.366 -3.539 140 HG12 ILE 566 HG12 ILE 566 -3.700 -5.730 -1.267 141 HG13 ILE 566 HG13 ILE 566 -1.954 -5.560 -1.427 142 HG21 ILE 566 HG21 ILE 566 -4.428 -4.096 -4.562 143 HG22 ILE 566 HG22 ILE 566 -4.361 -3.259 -3.012 144 HG23 ILE 566 HG23 ILE 566 -5.195 -4.804 -3.142 145 HD11 ILE 566 HD11 ILE 566 -2.167 -3.144 -1.223 146 HD12 ILE 566 HD12 ILE 566 -2.862 -3.975 0.169 147 HD13 ILE 566 HD13 ILE 566 -3.915 -3.308 -1.077 148 H CYS 567 HN CYS 567 -1.157 -5.962 -5.534 149 HA CYS 567 HA CYS 567 -3.032 -5.858 -7.791 150 HB2 CYS 567 HB2 CYS 567 -1.806 -3.960 -8.747 151 HB3 CYS 567 HB3 CYS 567 -2.508 -3.566 -7.183 152 H LYS 568 HN LYS 568 -0.466 -7.432 -6.549 153 HA LYS 568 HA LYS 568 0.930 -9.000 -7.367 154 HB2 LYS 568 HB2 LYS 568 -0.680 -8.578 -9.887 155 HB3 LYS 568 HB3 LYS 568 0.496 -9.868 -9.668 156 HG2 LYS 568 HG2 LYS 568 -0.809 -10.978 -8.115 157 HG3 LYS 568 HG3 LYS 568 -1.726 -9.529 -7.702 158 HD2 LYS 568 HD2 LYS 568 -3.113 -11.051 -8.965 159 HD3 LYS 568 HD3 LYS 568 -2.793 -9.603 -9.917 160 HE2 LYS 568 HE2 LYS 568 -1.047 -10.808 -11.142 161 HE3 LYS 568 HE3 LYS 568 -1.389 -12.257 -10.194 162 HZ1 LYS 568 HZ1 LYS 568 -3.659 -12.219 -11.069 163 HZ2 LYS 568 HZ2 LYS 568 -2.507 -12.373 -12.304 164 HZ3 LYS 568 HZ3 LYS 568 -3.267 -10.877 -12.036 165 H GLU 569 HN GLU 569 1.680 -6.219 -7.419 166 HA GLU 569 HA GLU 569 3.539 -6.150 -9.693 167 HB2 GLU 569 HB2 GLU 569 2.508 -3.974 -7.875 168 HB3 GLU 569 HB3 GLU 569 3.830 -3.729 -9.009 169 HG2 GLU 569 HG2 GLU 569 1.057 -4.613 -9.765 170 HG3 GLU 569 HG3 GLU 569 1.662 -2.957 -9.870 171 H THR 570 HN THR 570 5.684 -6.226 -9.381 172 HA THR 570 HA THR 570 6.721 -7.061 -6.867 173 HB THR 570 HB THR 570 8.228 -6.150 -9.330 174 HG1 THR 570 HG1 THR 570 8.304 -8.506 -9.675 175 HG21 THR 570 HG21 THR 570 10.025 -7.587 -8.457 176 HG22 THR 570 HG22 THR 570 9.061 -7.904 -7.014 177 HG23 THR 570 HG23 THR 570 9.644 -6.273 -7.345 178 H VAL 571 HN VAL 571 7.239 -5.777 -5.188 179 HA VAL 571 HA VAL 571 7.616 -2.910 -5.678 180 HB VAL 571 HB VAL 571 7.378 -4.282 -3.004 181 HG11 VAL 571 HG11 VAL 571 6.944 -1.419 -3.851 182 HG12 VAL 571 HG12 VAL 571 8.322 -2.040 -2.941 183 HG13 VAL 571 HG13 VAL 571 6.710 -2.056 -2.223 184 HG21 VAL 571 HG21 VAL 571 5.186 -3.136 -4.723 185 HG22 VAL 571 HG22 VAL 571 5.005 -3.609 -3.034 186 HG23 VAL 571 HG23 VAL 571 5.392 -4.824 -4.252 187 H THR 572 HN THR 572 9.622 -2.214 -5.880 188 HA THR 572 HA THR 572 11.782 -3.631 -4.479 189 HB THR 572 HB THR 572 13.269 -2.414 -6.140 190 HG1 THR 572 HG1 THR 572 11.419 -2.112 -8.046 191 HG21 THR 572 HG21 THR 572 11.218 -4.354 -7.213 192 HG22 THR 572 HG22 THR 572 12.749 -4.766 -6.441 193 HG23 THR 572 HG23 THR 572 12.742 -3.952 -8.003 194 H GLY 573 HN GLY 573 13.505 -2.322 -3.547 195 HA2 GLY 573 HA2 GLY 573 12.692 0.443 -2.945 196 HA3 GLY 573 HA3 GLY 573 13.253 -0.642 -1.678 197 H VAL 574 HN VAL 574 14.470 1.811 -2.287 198 HA VAL 574 HA VAL 574 16.930 0.992 -3.691 199 HB VAL 574 HB VAL 574 15.809 3.798 -3.517 200 HG11 VAL 574 HG11 VAL 574 18.062 2.636 -5.152 201 HG12 VAL 574 HG12 VAL 574 18.206 3.777 -3.814 202 HG13 VAL 574 HG13 VAL 574 17.430 4.274 -5.319 203 HG21 VAL 574 HG21 VAL 574 15.686 1.873 -5.836 204 HG22 VAL 574 HG22 VAL 574 15.141 3.549 -5.846 205 HG23 VAL 574 HG23 VAL 574 14.325 2.365 -4.831 206 H TYR 575 HN TYR 575 18.893 1.631 -2.797 207 HA TYR 575 HA TYR 575 18.883 2.211 0.013 208 HB2 TYR 575 HB2 TYR 575 20.578 0.721 -0.903 209 HB3 TYR 575 HB3 TYR 575 21.150 1.991 -1.978 210 HD1 TYR 575 HD1 TYR 575 23.073 3.076 -1.349 211 HD2 TYR 575 HD2 TYR 575 20.530 1.498 1.675 212 HE1 TYR 575 HE1 TYR 575 24.679 3.801 0.364 213 HE2 TYR 575 HE2 TYR 575 22.138 2.217 3.402 214 HH TYR 575 HH TYR 575 24.578 2.715 3.553 215 H ASP 576 HN ASP 576 18.768 4.178 0.851 216 HA ASP 576 HA ASP 576 19.162 6.482 -0.887 217 HB2 ASP 576 HB2 ASP 576 17.137 6.501 0.443 218 HB3 ASP 576 HB3 ASP 576 18.066 6.266 1.923 219 H GLU 577 HN GLU 577 21.065 7.344 -1.012 220 HA GLU 577 HA GLU 577 23.195 6.794 0.758 221 HB2 GLU 577 HB2 GLU 577 22.967 9.029 -1.265 222 HB3 GLU 577 HB3 GLU 577 24.452 8.419 -0.549 223 HG2 GLU 577 HG2 GLU 577 24.039 6.238 -1.608 224 HG3 GLU 577 HG3 GLU 577 22.597 6.907 -2.372 225 H GLU 578 HN GLU 578 20.678 9.148 0.803 226 HA GLU 578 HA GLU 578 22.152 11.170 2.201 227 HB2 GLU 578 HB2 GLU 578 20.042 11.387 0.684 228 HB3 GLU 578 HB3 GLU 578 19.160 11.021 2.161 229 HG2 GLU 578 HG2 GLU 578 19.310 13.415 1.793 230 HG3 GLU 578 HG3 GLU 578 20.172 12.940 3.258 231 H SER 579 HN SER 579 19.593 8.868 3.150 232 HA SER 579 HA SER 579 20.027 9.496 5.949 233 HB2 SER 579 HB2 SER 579 18.225 7.826 6.337 234 HB3 SER 579 HB3 SER 579 17.746 9.080 5.192 235 HG SER 579 HG SER 579 17.851 7.674 3.554 236 H GLY 580 HN GLY 580 21.048 7.185 3.623 237 HA2 GLY 580 HA2 GLY 580 22.723 5.597 3.786 238 HA3 GLY 580 HA3 GLY 580 22.841 5.937 5.508 239 H GLU 581 HN GLU 581 19.737 5.263 4.150 240 HA GLU 581 HA GLU 581 19.870 2.503 5.153 241 HB2 GLU 581 HB2 GLU 581 17.474 4.294 5.563 242 HB3 GLU 581 HB3 GLU 581 17.774 2.712 6.273 243 HG2 GLU 581 HG2 GLU 581 19.871 3.954 7.282 244 HG3 GLU 581 HG3 GLU 581 18.857 5.371 7.025 245 H TRP 582 HN TRP 582 18.191 1.105 4.254 246 HA TRP 582 HA TRP 582 17.669 1.693 1.472 247 HB2 TRP 582 HB2 TRP 582 16.975 -0.683 3.203 248 HB3 TRP 582 HB3 TRP 582 16.601 -0.578 1.479 249 HD1 TRP 582 HD1 TRP 582 19.657 -0.799 3.838 250 HE1 TRP 582 HE1 TRP 582 21.618 -1.789 2.494 251 HE3 TRP 582 HE3 TRP 582 17.469 -0.947 -0.773 252 HZ2 TRP 582 HZ2 TRP 582 22.152 -2.545 -0.181 253 HZ3 TRP 582 HZ3 TRP 582 18.763 -1.819 -2.671 254 HH2 TRP 582 HH2 TRP 582 21.060 -2.602 -2.380 255 H VAL 583 HN VAL 583 15.715 2.222 0.587 256 HA VAL 583 HA VAL 583 13.588 2.790 2.555 257 HB VAL 583 HB VAL 583 12.855 4.622 1.153 258 HG11 VAL 583 HG11 VAL 583 14.798 6.108 1.360 259 HG12 VAL 583 HG12 VAL 583 15.829 4.705 1.634 260 HG13 VAL 583 HG13 VAL 583 14.571 5.112 2.796 261 HG21 VAL 583 HG21 VAL 583 13.975 5.272 -0.879 262 HG22 VAL 583 HG22 VAL 583 13.472 3.582 -1.017 263 HG23 VAL 583 HG23 VAL 583 15.158 3.977 -0.684 264 H TRP 584 HN TRP 584 11.712 1.745 2.359 265 HA TRP 584 HA TRP 584 10.834 0.943 -0.324 266 HB2 TRP 584 HB2 TRP 584 10.043 0.066 2.435 267 HB3 TRP 584 HB3 TRP 584 8.890 -0.100 1.114 268 HD1 TRP 584 HD1 TRP 584 11.932 -0.668 -0.603 269 HE1 TRP 584 HE1 TRP 584 12.569 -3.136 -0.755 270 HE3 TRP 584 HE3 TRP 584 8.863 -2.484 3.043 271 HZ2 TRP 584 HZ2 TRP 584 11.858 -5.560 0.512 272 HZ3 TRP 584 HZ3 TRP 584 8.900 -4.898 3.512 273 HH2 TRP 584 HH2 TRP 584 10.369 -6.403 2.271 274 H LYS 585 HN LYS 585 9.947 2.600 -1.304 275 HA LYS 585 HA LYS 585 8.474 4.590 0.225 276 HB2 LYS 585 HB2 LYS 585 8.514 5.597 -2.294 277 HB3 LYS 585 HB3 LYS 585 9.746 5.901 -1.081 278 HG2 LYS 585 HG2 LYS 585 10.771 5.337 -3.188 279 HG3 LYS 585 HG3 LYS 585 11.092 4.066 -2.011 280 HD2 LYS 585 HD2 LYS 585 9.283 2.730 -2.982 281 HD3 LYS 585 HD3 LYS 585 8.993 3.998 -4.174 282 HE2 LYS 585 HE2 LYS 585 11.298 3.715 -5.000 283 HE3 LYS 585 HE3 LYS 585 11.536 2.409 -3.840 284 HZ1 LYS 585 HZ1 LYS 585 10.961 1.686 -6.142 285 HZ2 LYS 585 HZ2 LYS 585 9.423 2.372 -5.924 286 HZ3 LYS 585 HZ3 LYS 585 9.929 1.089 -4.939 287 H ASN 586 HN ASN 586 6.452 5.412 -0.491 288 HA ASN 586 HA ASN 586 4.223 5.018 -0.666 289 HB2 ASN 586 HB2 ASN 586 4.875 3.453 -3.178 290 HB3 ASN 586 HB3 ASN 586 3.371 4.248 -2.779 291 HD21 ASN 586 HD21 ASN 586 3.297 5.519 -4.587 292 HD22 ASN 586 HD22 ASN 586 4.399 6.819 -4.870 293 H THR 587 HN THR 587 5.499 3.356 1.045 294 HA THR 587 HA THR 587 4.109 0.792 0.668 295 HB THR 587 HB THR 587 6.874 1.131 1.869 296 HG1 THR 587 HG1 THR 587 6.521 1.315 -0.558 297 HG21 THR 587 HG21 THR 587 6.953 -1.314 1.831 298 HG22 THR 587 HG22 THR 587 5.304 -1.367 1.205 299 HG23 THR 587 HG23 THR 587 5.616 -0.746 2.827 300 H ILE 588 HN ILE 588 3.117 -0.023 2.452 301 HA ILE 588 HA ILE 588 3.479 1.370 5.018 302 HB ILE 588 HB ILE 588 1.399 2.195 3.958 303 HG12 ILE 588 HG12 ILE 588 0.911 0.386 6.337 304 HG13 ILE 588 HG13 ILE 588 1.528 2.034 6.406 305 HG21 ILE 588 HG21 ILE 588 0.539 -0.694 4.022 306 HG22 ILE 588 HG22 ILE 588 0.849 0.278 2.584 307 HG23 ILE 588 HG23 ILE 588 -0.508 0.674 3.641 308 HD11 ILE 588 HD11 ILE 588 -0.816 1.977 6.981 309 HD12 ILE 588 HD12 ILE 588 -1.196 1.188 5.450 310 HD13 ILE 588 HD13 ILE 588 -0.585 2.844 5.462 311 H GLU 589 HN GLU 589 3.335 0.028 6.831 312 HA GLU 589 HA GLU 589 3.247 -2.840 6.200 313 HB2 GLU 589 HB2 GLU 589 5.374 -2.042 7.142 314 HB3 GLU 589 HB3 GLU 589 4.525 -1.442 8.559 315 HG2 GLU 589 HG2 GLU 589 4.284 -4.335 7.851 316 HG3 GLU 589 HG3 GLU 589 5.776 -3.742 8.592 317 H VAL 590 HN VAL 590 1.542 -3.902 6.773 318 HA VAL 590 HA VAL 590 -0.023 -2.998 9.097 319 HB VAL 590 HB VAL 590 -1.184 -4.071 6.512 320 HG11 VAL 590 HG11 VAL 590 -3.354 -3.495 7.515 321 HG12 VAL 590 HG12 VAL 590 -2.529 -3.054 9.014 322 HG13 VAL 590 HG13 VAL 590 -2.495 -4.723 8.446 323 HG21 VAL 590 HG21 VAL 590 -1.316 -1.276 7.644 324 HG22 VAL 590 HG22 VAL 590 -2.096 -1.845 6.166 325 HG23 VAL 590 HG23 VAL 590 -0.336 -1.778 6.266 326 H ASN 591 HN ASN 591 -0.046 -4.524 10.583 327 HA ASN 591 HA ASN 591 -0.111 -6.531 11.646 328 HB2 ASN 591 HB2 ASN 591 -2.150 -6.672 10.022 329 HB3 ASN 591 HB3 ASN 591 -1.150 -7.820 9.137 330 HD21 ASN 591 HD21 ASN 591 -0.509 -9.759 10.198 331 HD22 ASN 591 HD22 ASN 591 -1.433 -10.393 11.518 332 H GLY 592 HN GLY 592 2.325 -5.818 10.393 333 HA2 GLY 592 HA2 GLY 592 4.387 -6.874 10.378 334 HA3 GLY 592 HA3 GLY 592 3.566 -8.424 10.504 335 H LYS 593 HN LYS 593 2.297 -6.534 8.020 336 HA LYS 593 HA LYS 593 4.027 -7.850 6.050 337 HB2 LYS 593 HB2 LYS 593 1.026 -7.547 5.891 338 HB3 LYS 593 HB3 LYS 593 2.042 -8.164 4.602 339 HG2 LYS 593 HG2 LYS 593 2.696 -10.044 6.031 340 HG3 LYS 593 HG3 LYS 593 1.640 -9.429 7.304 341 HD2 LYS 593 HD2 LYS 593 -0.291 -9.677 5.830 342 HD3 LYS 593 HD3 LYS 593 0.760 -10.262 4.540 343 HE2 LYS 593 HE2 LYS 593 0.322 -11.592 7.211 344 HE3 LYS 593 HE3 LYS 593 -0.375 -12.107 5.675 345 HZ1 LYS 593 HZ1 LYS 593 1.942 -12.402 4.858 346 HZ2 LYS 593 HZ2 LYS 593 1.507 -13.455 6.112 347 HZ3 LYS 593 HZ3 LYS 593 2.496 -12.117 6.439 348 H TYR 594 HN TYR 594 4.442 -6.759 4.171 349 HA TYR 594 HA TYR 594 3.923 -3.888 4.354 350 HB2 TYR 594 HB2 TYR 594 6.051 -5.410 2.840 351 HB3 TYR 594 HB3 TYR 594 5.850 -3.661 2.802 352 HD1 TYR 594 HD1 TYR 594 6.479 -2.294 4.703 353 HD2 TYR 594 HD2 TYR 594 6.901 -6.525 4.832 354 HE1 TYR 594 HE1 TYR 594 7.905 -2.085 6.695 355 HE2 TYR 594 HE2 TYR 594 8.326 -6.326 6.820 356 HH TYR 594 HH TYR 594 9.772 -4.652 7.895 357 H PHE 595 HN PHE 595 2.856 -2.820 2.858 358 HA PHE 595 HA PHE 595 2.259 -4.083 0.269 359 HB2 PHE 595 HB2 PHE 595 0.170 -2.666 1.957 360 HB3 PHE 595 HB3 PHE 595 -0.082 -3.434 0.399 361 HD1 PHE 595 HD1 PHE 595 -0.121 -5.882 0.217 362 HD2 PHE 595 HD2 PHE 595 0.164 -3.919 3.979 363 HE1 PHE 595 HE1 PHE 595 -0.807 -7.955 1.350 364 HE2 PHE 595 HE2 PHE 595 -0.515 -5.988 5.119 365 HZ PHE 595 HZ PHE 595 -1.001 -8.010 3.800 366 H HIS 596 HN HIS 596 1.778 -2.451 -1.391 367 HA HIS 596 HA HIS 596 2.913 0.109 -1.084 368 HB2 HIS 596 HB2 HIS 596 0.853 -0.987 -2.999 369 HB3 HIS 596 HB3 HIS 596 1.285 0.715 -3.021 370 HD2 HIS 596 HD2 HIS 596 4.461 0.614 -2.977 371 HE1 HIS 596 HE1 HIS 596 4.046 -2.029 -6.259 372 HE2 HIS 596 HE2 HIS 596 5.667 -0.633 -4.902 373 H SER 597 HN SER 597 2.179 1.861 -0.018 374 HA SER 597 HA SER 597 -0.201 1.741 1.513 375 HB2 SER 597 HB2 SER 597 0.311 4.230 1.894 376 HB3 SER 597 HB3 SER 597 1.532 3.070 2.419 377 HG SER 597 HG SER 597 2.753 4.377 1.276 378 H THR 598 HN THR 598 0.613 3.009 -1.606 379 HA THR 598 HA THR 598 -1.751 4.494 -2.047 380 HB THR 598 HB THR 598 0.545 4.472 -3.337 381 HG1 THR 598 HG1 THR 598 -0.450 5.662 -4.841 382 HG21 THR 598 HG21 THR 598 0.416 2.128 -4.058 383 HG22 THR 598 HG22 THR 598 0.500 3.235 -5.428 384 HG23 THR 598 HG23 THR 598 -1.039 2.496 -4.985 385 H CYS 599 HN CYS 599 -0.913 1.123 -2.342 386 HA CYS 599 HA CYS 599 -3.244 0.377 -3.859 387 HB2 CYS 599 HB2 CYS 599 -1.104 -1.257 -2.484 388 HB3 CYS 599 HB3 CYS 599 -2.453 -1.969 -3.367 389 H TYR 600 HN TYR 600 -2.558 0.707 -0.471 390 HA TYR 600 HA TYR 600 -3.764 -1.569 0.540 391 HB2 TYR 600 HB2 TYR 600 -2.286 -0.162 1.869 392 HB3 TYR 600 HB3 TYR 600 -3.490 1.120 1.877 393 HD1 TYR 600 HD1 TYR 600 -5.109 1.211 3.551 394 HD2 TYR 600 HD2 TYR 600 -2.937 -2.403 2.967 395 HE1 TYR 600 HE1 TYR 600 -6.101 0.292 5.603 396 HE2 TYR 600 HE2 TYR 600 -3.925 -3.330 5.018 397 HH TYR 600 HH TYR 600 -6.579 -1.976 6.562 398 H HIS 601 HN HIS 601 -5.299 1.489 -0.285 399 HA HIS 601 HA HIS 601 -7.673 1.098 1.140 400 HB2 HIS 601 HB2 HIS 601 -8.677 2.804 -0.287 401 HB3 HIS 601 HB3 HIS 601 -7.079 3.281 0.259 402 HD2 HIS 601 HD2 HIS 601 -5.633 1.500 -2.309 403 HE1 HIS 601 HE1 HIS 601 -7.530 4.587 -4.487 404 HE2 HIS 601 HE2 HIS 601 -5.601 2.948 -4.457 405 H GLU 602 HN GLU 602 -6.617 -0.328 -1.835 406 HA GLU 602 HA GLU 602 -9.086 -1.059 -2.967 407 HB2 GLU 602 HB2 GLU 602 -7.149 -1.274 -4.305 408 HB3 GLU 602 HB3 GLU 602 -6.307 -2.211 -3.084 409 HG2 GLU 602 HG2 GLU 602 -6.816 -3.754 -4.736 410 HG3 GLU 602 HG3 GLU 602 -8.050 -4.019 -3.508 411 H THR 603 HN THR 603 -7.120 -2.596 -0.464 412 HA THR 603 HA THR 603 -8.906 -4.892 -0.377 413 HB THR 603 HB THR 603 -6.420 -5.188 -0.183 414 HG1 THR 603 HG1 THR 603 -8.210 -6.114 1.811 415 HG21 THR 603 HG21 THR 603 -5.908 -3.261 1.226 416 HG22 THR 603 HG22 THR 603 -5.363 -4.752 1.991 417 HG23 THR 603 HG23 THR 603 -6.839 -3.964 2.548 Start of MODEL 9 1 H GLY 548 HN GLY 548 3.397 9.188 0.908 2 HA2 GLY 548 HA2 GLY 548 5.040 8.943 -0.777 3 HA3 GLY 548 HA3 GLY 548 5.514 10.618 -0.525 4 H LYS 549 HN LYS 549 5.084 9.102 2.409 5 HA LYS 549 HA LYS 549 7.852 9.119 3.033 6 HB2 LYS 549 HB2 LYS 549 5.491 7.960 4.528 7 HB3 LYS 549 HB3 LYS 549 7.130 8.002 5.165 8 HG2 LYS 549 HG2 LYS 549 7.022 10.524 4.781 9 HG3 LYS 549 HG3 LYS 549 5.284 10.293 4.595 10 HD2 LYS 549 HD2 LYS 549 6.871 9.432 7.018 11 HD3 LYS 549 HD3 LYS 549 5.992 10.956 6.902 12 HE2 LYS 549 HE2 LYS 549 4.458 9.643 7.994 13 HE3 LYS 549 HE3 LYS 549 3.973 9.399 6.321 14 HZ1 LYS 549 HZ1 LYS 549 5.684 7.554 7.913 15 HZ2 LYS 549 HZ2 LYS 549 5.193 7.315 6.311 16 HZ3 LYS 549 HZ3 LYS 549 4.036 7.320 7.552 17 H TYR 550 HN TYR 550 9.178 7.341 3.559 18 HA TYR 550 HA TYR 550 8.462 4.929 2.046 19 HB2 TYR 550 HB2 TYR 550 10.747 4.685 1.405 20 HB3 TYR 550 HB3 TYR 550 10.294 6.349 1.064 21 HD1 TYR 550 HD1 TYR 550 12.368 4.144 3.096 22 HD2 TYR 550 HD2 TYR 550 11.230 8.190 2.426 23 HE1 TYR 550 HE1 TYR 550 14.301 4.899 4.412 24 HE2 TYR 550 HE2 TYR 550 13.161 8.955 3.745 25 HH TYR 550 HH TYR 550 15.712 6.894 4.645 26 H VAL 551 HN VAL 551 9.421 2.945 2.786 27 HA VAL 551 HA VAL 551 10.046 2.958 5.671 28 HB VAL 551 HB VAL 551 8.770 0.742 4.046 29 HG11 VAL 551 HG11 VAL 551 10.156 -0.151 5.828 30 HG12 VAL 551 HG12 VAL 551 8.449 -0.386 6.205 31 HG13 VAL 551 HG13 VAL 551 9.358 0.900 7.001 32 HG21 VAL 551 HG21 VAL 551 7.568 2.575 6.118 33 HG22 VAL 551 HG22 VAL 551 6.763 1.173 5.414 34 HG23 VAL 551 HG23 VAL 551 7.197 2.544 4.393 35 H VAL 552 HN VAL 552 11.933 2.018 6.258 36 HA VAL 552 HA VAL 552 13.957 1.660 4.342 37 HB VAL 552 HB VAL 552 13.950 0.596 7.175 38 HG11 VAL 552 HG11 VAL 552 16.213 1.411 5.357 39 HG12 VAL 552 HG12 VAL 552 15.792 -0.236 5.833 40 HG13 VAL 552 HG13 VAL 552 16.376 0.910 7.040 41 HG21 VAL 552 HG21 VAL 552 14.943 2.737 7.826 42 HG22 VAL 552 HG22 VAL 552 13.310 2.937 7.190 43 HG23 VAL 552 HG23 VAL 552 14.703 3.340 6.187 44 H VAL 553 HN VAL 553 14.718 -0.127 3.306 45 HA VAL 553 HA VAL 553 13.064 -2.385 3.054 46 HB VAL 553 HB VAL 553 15.983 -2.098 2.314 47 HG11 VAL 553 HG11 VAL 553 15.610 -3.965 0.789 48 HG12 VAL 553 HG12 VAL 553 13.954 -4.121 1.375 49 HG13 VAL 553 HG13 VAL 553 15.307 -4.443 2.459 50 HG21 VAL 553 HG21 VAL 553 14.551 -0.448 1.215 51 HG22 VAL 553 HG22 VAL 553 13.507 -1.745 0.632 52 HG23 VAL 553 HG23 VAL 553 15.174 -1.631 0.065 53 HA PRO 554 HA PRO 554 14.098 -4.365 6.890 54 HB2 PRO 554 HB2 PRO 554 12.834 -6.679 5.538 55 HB3 PRO 554 HB3 PRO 554 12.442 -5.930 7.088 56 HG2 PRO 554 HG2 PRO 554 10.881 -5.584 4.943 57 HG3 PRO 554 HG3 PRO 554 11.142 -4.286 6.124 58 HD2 PRO 554 HD2 PRO 554 12.300 -4.630 3.391 59 HD3 PRO 554 HD3 PRO 554 11.820 -3.149 4.243 60 H GLU 555 HN GLU 555 15.858 -5.422 7.505 61 HA GLU 555 HA GLU 555 17.561 -6.760 5.620 62 HB2 GLU 555 HB2 GLU 555 17.766 -6.715 8.638 63 HB3 GLU 555 HB3 GLU 555 19.052 -7.089 7.498 64 HG2 GLU 555 HG2 GLU 555 19.009 -4.785 6.682 65 HG3 GLU 555 HG3 GLU 555 17.698 -4.412 7.798 66 H THR 556 HN THR 556 14.864 -7.544 7.392 67 HA THR 556 HA THR 556 15.505 -10.382 7.656 68 HB THR 556 HB THR 556 13.294 -10.432 8.906 69 HG1 THR 556 HG1 THR 556 12.172 -8.632 9.039 70 HG21 THR 556 HG21 THR 556 15.440 -8.567 9.926 71 HG22 THR 556 HG22 THR 556 15.429 -10.321 10.094 72 HG23 THR 556 HG23 THR 556 14.208 -9.352 10.919 73 H SER 557 HN SER 557 14.933 -8.967 5.082 74 HA SER 557 HA SER 557 12.383 -10.165 4.315 75 HB2 SER 557 HB2 SER 557 12.666 -8.870 2.211 76 HB3 SER 557 HB3 SER 557 12.699 -7.844 3.644 77 HG SER 557 HG SER 557 14.786 -7.435 3.337 78 H GLN 558 HN GLN 558 12.519 -11.003 1.862 79 HA GLN 558 HA GLN 558 14.248 -13.274 1.938 80 HB2 GLN 558 HB2 GLN 558 12.506 -12.253 -0.317 81 HB3 GLN 558 HB3 GLN 558 13.291 -13.824 -0.275 82 HG2 GLN 558 HG2 GLN 558 11.100 -14.278 0.348 83 HG3 GLN 558 HG3 GLN 558 11.965 -14.220 1.884 84 HE21 GLN 558 HE21 GLN 558 11.094 -11.380 0.011 85 HE22 GLN 558 HE22 GLN 558 9.925 -10.779 1.129 86 H ASP 559 HN ASP 559 13.891 -10.940 -0.722 87 HA ASP 559 HA ASP 559 16.816 -10.778 -0.891 88 HB2 ASP 559 HB2 ASP 559 14.885 -11.348 -3.139 89 HB3 ASP 559 HB3 ASP 559 16.499 -10.712 -3.432 90 H MET 560 HN MET 560 15.433 -8.910 0.423 91 HA MET 560 HA MET 560 15.131 -6.670 0.621 92 HB2 MET 560 HB2 MET 560 16.619 -6.552 -2.008 93 HB3 MET 560 HB3 MET 560 16.287 -5.175 -0.967 94 HG2 MET 560 HG2 MET 560 17.674 -6.089 0.767 95 HG3 MET 560 HG3 MET 560 17.917 -7.571 -0.158 96 HE1 MET 560 HE1 MET 560 20.000 -6.241 -3.223 97 HE2 MET 560 HE2 MET 560 18.252 -6.430 -3.106 98 HE3 MET 560 HE3 MET 560 19.318 -7.671 -2.446 99 H ALA 561 HN ALA 561 13.279 -8.417 -1.032 100 HA ALA 561 HA ALA 561 11.674 -6.250 -2.129 101 HB1 ALA 561 HB1 ALA 561 12.382 -8.693 -3.747 102 HB2 ALA 561 HB2 ALA 561 13.025 -7.072 -4.012 103 HB3 ALA 561 HB3 ALA 561 11.304 -7.391 -4.241 104 H PHE 562 HN PHE 562 9.456 -6.773 -2.402 105 HA PHE 562 HA PHE 562 8.556 -9.450 -1.624 106 HB2 PHE 562 HB2 PHE 562 6.947 -8.692 -0.051 107 HB3 PHE 562 HB3 PHE 562 8.436 -7.878 0.399 108 HD1 PHE 562 HD1 PHE 562 4.997 -7.458 -0.603 109 HD2 PHE 562 HD2 PHE 562 8.750 -5.489 -0.232 110 HE1 PHE 562 HE1 PHE 562 3.860 -5.273 -0.713 111 HE2 PHE 562 HE2 PHE 562 7.628 -3.307 -0.334 112 HZ PHE 562 HZ PHE 562 5.069 -3.252 -0.519 113 H LYS 563 HN LYS 563 6.310 -9.857 -2.444 114 HA LYS 563 HA LYS 563 5.913 -8.219 -4.845 115 HB2 LYS 563 HB2 LYS 563 6.204 -10.676 -5.136 116 HB3 LYS 563 HB3 LYS 563 4.719 -10.921 -4.226 117 HG2 LYS 563 HG2 LYS 563 3.440 -9.766 -5.904 118 HG3 LYS 563 HG3 LYS 563 4.909 -9.355 -6.790 119 HD2 LYS 563 HD2 LYS 563 3.723 -12.093 -6.368 120 HD3 LYS 563 HD3 LYS 563 3.861 -11.203 -7.885 121 HE2 LYS 563 HE2 LYS 563 6.314 -11.320 -7.709 122 HE3 LYS 563 HE3 LYS 563 6.147 -12.261 -6.225 123 HZ1 LYS 563 HZ1 LYS 563 6.535 -13.674 -8.152 124 HZ2 LYS 563 HZ2 LYS 563 5.146 -13.077 -8.906 125 HZ3 LYS 563 HZ3 LYS 563 5.018 -13.988 -7.478 126 H CYS 564 HN CYS 564 4.247 -6.910 -5.044 127 HA CYS 564 HA CYS 564 2.418 -6.496 -2.901 128 HB2 CYS 564 HB2 CYS 564 3.237 -4.672 -4.293 129 HB3 CYS 564 HB3 CYS 564 2.498 -5.398 -5.710 130 HA PRO 565 HA PRO 565 -0.303 -9.720 -4.251 131 HB2 PRO 565 HB2 PRO 565 -2.150 -9.422 -2.265 132 HB3 PRO 565 HB3 PRO 565 -0.589 -10.212 -2.041 133 HG2 PRO 565 HG2 PRO 565 -1.456 -7.467 -1.288 134 HG3 PRO 565 HG3 PRO 565 -0.386 -8.597 -0.446 135 HD2 PRO 565 HD2 PRO 565 0.488 -6.464 -1.925 136 HD3 PRO 565 HD3 PRO 565 1.450 -7.916 -1.598 137 H ILE 566 HN ILE 566 -1.395 -6.392 -3.850 138 HA ILE 566 HA ILE 566 -4.049 -7.017 -4.759 139 HB ILE 566 HB ILE 566 -2.765 -4.354 -4.169 140 HG12 ILE 566 HG12 ILE 566 -4.646 -6.077 -2.540 141 HG13 ILE 566 HG13 ILE 566 -2.917 -5.912 -2.255 142 HG21 ILE 566 HG21 ILE 566 -5.676 -5.027 -4.585 143 HG22 ILE 566 HG22 ILE 566 -4.654 -4.134 -5.714 144 HG23 ILE 566 HG23 ILE 566 -5.024 -3.454 -4.129 145 HD11 ILE 566 HD11 ILE 566 -4.318 -4.580 -0.726 146 HD12 ILE 566 HD12 ILE 566 -4.886 -3.646 -2.109 147 HD13 ILE 566 HD13 ILE 566 -3.182 -3.609 -1.663 148 H CYS 567 HN CYS 567 -1.367 -5.029 -6.086 149 HA CYS 567 HA CYS 567 -2.744 -5.180 -8.675 150 HB2 CYS 567 HB2 CYS 567 -1.416 -3.249 -9.391 151 HB3 CYS 567 HB3 CYS 567 -2.328 -2.886 -7.932 152 H LYS 568 HN LYS 568 -0.368 -6.682 -7.015 153 HA LYS 568 HA LYS 568 0.788 -8.523 -7.599 154 HB2 LYS 568 HB2 LYS 568 -0.262 -8.046 -10.381 155 HB3 LYS 568 HB3 LYS 568 0.448 -9.538 -9.779 156 HG2 LYS 568 HG2 LYS 568 -1.389 -9.772 -8.185 157 HG3 LYS 568 HG3 LYS 568 -2.101 -8.277 -8.792 158 HD2 LYS 568 HD2 LYS 568 -3.235 -10.075 -9.848 159 HD3 LYS 568 HD3 LYS 568 -2.178 -9.336 -11.053 160 HE2 LYS 568 HE2 LYS 568 -2.041 -11.743 -11.216 161 HE3 LYS 568 HE3 LYS 568 -0.509 -11.097 -10.628 162 HZ1 LYS 568 HZ1 LYS 568 -2.591 -12.093 -8.773 163 HZ2 LYS 568 HZ2 LYS 568 -0.933 -11.856 -8.472 164 HZ3 LYS 568 HZ3 LYS 568 -1.444 -13.133 -9.463 165 H GLU 569 HN GLU 569 2.048 -5.821 -7.795 166 HA GLU 569 HA GLU 569 4.138 -6.428 -9.772 167 HB2 GLU 569 HB2 GLU 569 3.545 -3.942 -8.163 168 HB3 GLU 569 HB3 GLU 569 4.954 -4.121 -9.196 169 HG2 GLU 569 HG2 GLU 569 2.395 -4.697 -10.490 170 HG3 GLU 569 HG3 GLU 569 2.605 -3.030 -9.959 171 H THR 570 HN THR 570 6.071 -7.186 -9.131 172 HA THR 570 HA THR 570 6.685 -7.681 -6.401 173 HB THR 570 HB THR 570 8.566 -7.658 -8.779 174 HG1 THR 570 HG1 THR 570 8.049 -9.814 -9.001 175 HG21 THR 570 HG21 THR 570 9.723 -7.611 -6.610 176 HG22 THR 570 HG22 THR 570 9.951 -9.156 -7.426 177 HG23 THR 570 HG23 THR 570 8.808 -9.027 -6.089 178 H VAL 571 HN VAL 571 7.375 -6.251 -4.957 179 HA VAL 571 HA VAL 571 8.218 -3.615 -5.868 180 HB VAL 571 HB VAL 571 7.730 -4.538 -3.034 181 HG11 VAL 571 HG11 VAL 571 7.449 -2.146 -2.578 182 HG12 VAL 571 HG12 VAL 571 7.815 -1.781 -4.265 183 HG13 VAL 571 HG13 VAL 571 9.050 -2.497 -3.228 184 HG21 VAL 571 HG21 VAL 571 5.803 -3.202 -4.930 185 HG22 VAL 571 HG22 VAL 571 5.503 -3.562 -3.230 186 HG23 VAL 571 HG23 VAL 571 5.721 -4.877 -4.384 187 H THR 572 HN THR 572 10.282 -3.290 -6.166 188 HA THR 572 HA THR 572 12.243 -4.587 -4.410 189 HB THR 572 HB THR 572 13.911 -3.820 -6.146 190 HG1 THR 572 HG1 THR 572 12.209 -2.261 -7.003 191 HG21 THR 572 HG21 THR 572 11.703 -5.660 -7.074 192 HG22 THR 572 HG22 THR 572 13.127 -6.119 -6.138 193 HG23 THR 572 HG23 THR 572 13.307 -5.548 -7.797 194 H GLY 573 HN GLY 573 14.065 -3.172 -3.683 195 HA2 GLY 573 HA2 GLY 573 13.173 -0.372 -3.461 196 HA3 GLY 573 HA3 GLY 573 13.729 -1.273 -2.055 197 H VAL 574 HN VAL 574 14.824 1.136 -3.006 198 HA VAL 574 HA VAL 574 17.415 0.278 -4.114 199 HB VAL 574 HB VAL 574 16.182 3.037 -4.323 200 HG11 VAL 574 HG11 VAL 574 18.598 3.052 -4.488 201 HG12 VAL 574 HG12 VAL 574 17.878 3.390 -6.062 202 HG13 VAL 574 HG13 VAL 574 18.543 1.792 -5.722 203 HG21 VAL 574 HG21 VAL 574 16.248 0.856 -6.404 204 HG22 VAL 574 HG22 VAL 574 15.690 2.510 -6.654 205 HG23 VAL 574 HG23 VAL 574 14.815 1.440 -5.559 206 H TYR 575 HN TYR 575 19.286 1.257 -3.250 207 HA TYR 575 HA TYR 575 19.050 2.035 -0.482 208 HB2 TYR 575 HB2 TYR 575 20.838 0.510 -1.148 209 HB3 TYR 575 HB3 TYR 575 21.470 1.703 -2.276 210 HD1 TYR 575 HD1 TYR 575 23.431 2.662 -1.565 211 HD2 TYR 575 HD2 TYR 575 20.461 1.697 1.327 212 HE1 TYR 575 HE1 TYR 575 24.874 3.569 0.206 213 HE2 TYR 575 HE2 TYR 575 21.900 2.600 3.104 214 HH TYR 575 HH TYR 575 24.731 4.431 2.430 215 H ASP 576 HN ASP 576 18.802 4.086 0.145 216 HA ASP 576 HA ASP 576 19.507 6.230 -1.691 217 HB2 ASP 576 HB2 ASP 576 17.338 6.319 -0.475 218 HB3 ASP 576 HB3 ASP 576 18.225 6.395 1.045 219 H GLU 577 HN GLU 577 21.457 7.038 -1.645 220 HA GLU 577 HA GLU 577 23.337 6.003 0.200 221 HB2 GLU 577 HB2 GLU 577 23.663 8.103 -1.937 222 HB3 GLU 577 HB3 GLU 577 24.979 7.321 -1.068 223 HG2 GLU 577 HG2 GLU 577 24.270 5.153 -1.941 224 HG3 GLU 577 HG3 GLU 577 22.972 5.939 -2.834 225 H GLU 578 HN GLU 578 21.726 9.121 -0.078 226 HA GLU 578 HA GLU 578 23.589 10.445 1.645 227 HB2 GLU 578 HB2 GLU 578 22.324 11.678 -0.079 228 HB3 GLU 578 HB3 GLU 578 20.836 11.359 0.803 229 HG2 GLU 578 HG2 GLU 578 21.690 12.599 2.718 230 HG3 GLU 578 HG3 GLU 578 23.191 12.907 1.850 231 H SER 579 HN SER 579 20.450 8.912 2.076 232 HA SER 579 HA SER 579 20.291 9.775 4.828 233 HB2 SER 579 HB2 SER 579 18.267 8.344 4.918 234 HB3 SER 579 HB3 SER 579 18.221 9.487 3.575 235 HG SER 579 HG SER 579 18.616 7.874 2.159 236 H GLY 580 HN GLY 580 21.514 7.084 3.053 237 HA2 GLY 580 HA2 GLY 580 23.039 5.502 3.780 238 HA3 GLY 580 HA3 GLY 580 22.832 6.087 5.422 239 H GLU 581 HN GLU 581 19.994 5.278 3.658 240 HA GLU 581 HA GLU 581 19.937 2.567 4.704 241 HB2 GLU 581 HB2 GLU 581 17.668 2.982 5.722 242 HB3 GLU 581 HB3 GLU 581 19.020 3.715 6.569 243 HG2 GLU 581 HG2 GLU 581 18.441 5.837 5.259 244 HG3 GLU 581 HG3 GLU 581 16.914 5.034 4.894 245 H TRP 582 HN TRP 582 18.230 1.262 3.811 246 HA TRP 582 HA TRP 582 17.802 1.854 1.031 247 HB2 TRP 582 HB2 TRP 582 16.853 -0.473 2.712 248 HB3 TRP 582 HB3 TRP 582 16.763 -0.381 0.958 249 HD1 TRP 582 HD1 TRP 582 19.405 -0.568 3.767 250 HE1 TRP 582 HE1 TRP 582 21.524 -1.668 2.803 251 HE3 TRP 582 HE3 TRP 582 17.941 -0.948 -1.105 252 HZ2 TRP 582 HZ2 TRP 582 22.433 -2.599 0.284 253 HZ3 TRP 582 HZ3 TRP 582 19.480 -1.956 -2.727 254 HH2 TRP 582 HH2 TRP 582 21.685 -2.767 -2.048 255 H VAL 583 HN VAL 583 15.738 1.930 -0.028 256 HA VAL 583 HA VAL 583 13.624 2.934 1.773 257 HB VAL 583 HB VAL 583 13.052 4.647 0.152 258 HG11 VAL 583 HG11 VAL 583 16.000 4.657 0.779 259 HG12 VAL 583 HG12 VAL 583 14.705 5.193 1.849 260 HG13 VAL 583 HG13 VAL 583 15.028 6.066 0.351 261 HG21 VAL 583 HG21 VAL 583 13.641 3.509 -1.910 262 HG22 VAL 583 HG22 VAL 583 15.352 3.572 -1.491 263 HG23 VAL 583 HG23 VAL 583 14.470 5.065 -1.830 264 H TRP 584 HN TRP 584 11.710 2.038 1.600 265 HA TRP 584 HA TRP 584 10.755 1.106 -1.037 266 HB2 TRP 584 HB2 TRP 584 10.015 0.295 1.771 267 HB3 TRP 584 HB3 TRP 584 8.885 0.066 0.446 268 HD1 TRP 584 HD1 TRP 584 11.952 -0.650 -1.223 269 HE1 TRP 584 HE1 TRP 584 12.544 -3.146 -1.182 270 HE3 TRP 584 HE3 TRP 584 8.810 -2.148 2.526 271 HZ2 TRP 584 HZ2 TRP 584 11.785 -5.454 0.255 272 HZ3 TRP 584 HZ3 TRP 584 8.800 -4.524 3.168 273 HH2 TRP 584 HH2 TRP 584 10.253 -6.142 2.057 274 H LYS 585 HN LYS 585 9.740 2.865 -1.945 275 HA LYS 585 HA LYS 585 8.474 4.785 -0.169 276 HB2 LYS 585 HB2 LYS 585 8.427 6.323 -1.928 277 HB3 LYS 585 HB3 LYS 585 9.946 5.471 -2.129 278 HG2 LYS 585 HG2 LYS 585 7.477 4.723 -3.660 279 HG3 LYS 585 HG3 LYS 585 8.599 5.961 -4.215 280 HD2 LYS 585 HD2 LYS 585 10.421 4.261 -4.112 281 HD3 LYS 585 HD3 LYS 585 9.197 3.043 -3.739 282 HE2 LYS 585 HE2 LYS 585 9.717 3.011 -6.112 283 HE3 LYS 585 HE3 LYS 585 8.064 3.566 -5.863 284 HZ1 LYS 585 HZ1 LYS 585 8.887 5.870 -6.083 285 HZ2 LYS 585 HZ2 LYS 585 9.120 4.950 -7.485 286 HZ3 LYS 585 HZ3 LYS 585 10.428 5.266 -6.454 287 H ASN 586 HN ASN 586 6.346 5.537 -0.394 288 HA ASN 586 HA ASN 586 4.117 5.155 -0.260 289 HB2 ASN 586 HB2 ASN 586 4.459 3.778 -2.939 290 HB3 ASN 586 HB3 ASN 586 2.961 4.362 -2.258 291 HD21 ASN 586 HD21 ASN 586 2.512 6.558 -2.267 292 HD22 ASN 586 HD22 ASN 586 3.426 7.688 -3.207 293 H THR 587 HN THR 587 5.627 3.373 1.153 294 HA THR 587 HA THR 587 4.163 0.843 0.818 295 HB THR 587 HB THR 587 6.951 1.207 1.944 296 HG1 THR 587 HG1 THR 587 6.520 1.434 -0.453 297 HG21 THR 587 HG21 THR 587 5.372 -1.294 1.319 298 HG22 THR 587 HG22 THR 587 5.789 -0.706 2.930 299 HG23 THR 587 HG23 THR 587 7.060 -1.251 1.834 300 H ILE 588 HN ILE 588 3.285 -0.091 2.627 301 HA ILE 588 HA ILE 588 3.563 1.340 5.182 302 HB ILE 588 HB ILE 588 1.474 2.091 4.069 303 HG12 ILE 588 HG12 ILE 588 0.962 0.317 6.468 304 HG13 ILE 588 HG13 ILE 588 1.606 1.956 6.543 305 HG21 ILE 588 HG21 ILE 588 0.719 -0.824 4.192 306 HG22 ILE 588 HG22 ILE 588 0.995 0.138 2.740 307 HG23 ILE 588 HG23 ILE 588 -0.383 0.491 3.783 308 HD11 ILE 588 HD11 ILE 588 -0.467 2.812 5.589 309 HD12 ILE 588 HD12 ILE 588 -0.766 1.901 7.070 310 HD13 ILE 588 HD13 ILE 588 -1.108 1.173 5.500 311 H GLU 589 HN GLU 589 3.314 -0.013 7.031 312 HA GLU 589 HA GLU 589 3.212 -2.889 6.406 313 HB2 GLU 589 HB2 GLU 589 5.424 -2.057 7.236 314 HB3 GLU 589 HB3 GLU 589 4.640 -1.589 8.736 315 HG2 GLU 589 HG2 GLU 589 4.271 -4.395 7.892 316 HG3 GLU 589 HG3 GLU 589 5.900 -3.922 8.378 317 H VAL 590 HN VAL 590 1.483 -3.864 7.090 318 HA VAL 590 HA VAL 590 0.049 -2.775 9.423 319 HB VAL 590 HB VAL 590 -1.241 -4.007 6.977 320 HG11 VAL 590 HG11 VAL 590 -2.524 -4.390 9.004 321 HG12 VAL 590 HG12 VAL 590 -3.343 -3.209 7.982 322 HG13 VAL 590 HG13 VAL 590 -2.448 -2.673 9.402 323 HG21 VAL 590 HG21 VAL 590 -2.080 -1.736 6.502 324 HG22 VAL 590 HG22 VAL 590 -0.324 -1.851 6.395 325 HG23 VAL 590 HG23 VAL 590 -1.074 -1.117 7.811 326 H ASN 591 HN ASN 591 0.053 -4.209 11.012 327 HA ASN 591 HA ASN 591 0.002 -6.133 12.188 328 HB2 ASN 591 HB2 ASN 591 -1.595 -6.964 9.805 329 HB3 ASN 591 HB3 ASN 591 -1.326 -8.048 11.161 330 HD21 ASN 591 HD21 ASN 591 -3.805 -7.011 10.197 331 HD22 ASN 591 HD22 ASN 591 -4.518 -6.121 11.493 332 H GLY 592 HN GLY 592 2.337 -5.635 10.622 333 HA2 GLY 592 HA2 GLY 592 4.335 -6.830 10.670 334 HA3 GLY 592 HA3 GLY 592 3.423 -8.316 10.872 335 H LYS 593 HN LYS 593 2.153 -6.529 8.319 336 HA LYS 593 HA LYS 593 3.899 -7.913 6.403 337 HB2 LYS 593 HB2 LYS 593 0.900 -7.686 6.338 338 HB3 LYS 593 HB3 LYS 593 1.854 -8.153 4.937 339 HG2 LYS 593 HG2 LYS 593 2.805 -10.002 6.364 340 HG3 LYS 593 HG3 LYS 593 1.552 -9.608 7.541 341 HD2 LYS 593 HD2 LYS 593 -0.175 -10.126 5.963 342 HD3 LYS 593 HD3 LYS 593 1.001 -10.318 4.663 343 HE2 LYS 593 HE2 LYS 593 0.764 -12.044 7.126 344 HE3 LYS 593 HE3 LYS 593 0.271 -12.488 5.489 345 HZ1 LYS 593 HZ1 LYS 593 3.048 -11.897 6.385 346 HZ2 LYS 593 HZ2 LYS 593 2.593 -12.277 4.794 347 HZ3 LYS 593 HZ3 LYS 593 2.420 -13.428 6.024 348 H TYR 594 HN TYR 594 4.474 -6.875 4.600 349 HA TYR 594 HA TYR 594 4.039 -3.998 4.613 350 HB2 TYR 594 HB2 TYR 594 6.020 -5.718 3.106 351 HB3 TYR 594 HB3 TYR 594 5.926 -3.965 2.980 352 HD1 TYR 594 HD1 TYR 594 6.596 -2.548 4.835 353 HD2 TYR 594 HD2 TYR 594 6.969 -6.779 5.061 354 HE1 TYR 594 HE1 TYR 594 8.085 -2.305 6.768 355 HE2 TYR 594 HE2 TYR 594 8.464 -6.547 6.999 356 HH TYR 594 HH TYR 594 8.812 -3.668 8.713 357 H PHE 595 HN PHE 595 2.939 -2.956 3.142 358 HA PHE 595 HA PHE 595 2.268 -4.228 0.584 359 HB2 PHE 595 HB2 PHE 595 0.259 -2.811 2.373 360 HB3 PHE 595 HB3 PHE 595 -0.053 -3.400 0.749 361 HD1 PHE 595 HD1 PHE 595 0.182 -5.934 0.362 362 HD2 PHE 595 HD2 PHE 595 -0.161 -4.157 4.214 363 HE1 PHE 595 HE1 PHE 595 -0.523 -8.100 1.299 364 HE2 PHE 595 HE2 PHE 595 -0.869 -6.325 5.143 365 HZ PHE 595 HZ PHE 595 -1.142 -8.274 3.653 366 H HIS 596 HN HIS 596 1.735 -2.614 -1.067 367 HA HIS 596 HA HIS 596 2.899 -0.049 -0.748 368 HB2 HIS 596 HB2 HIS 596 1.048 -1.253 -2.784 369 HB3 HIS 596 HB3 HIS 596 1.274 0.489 -2.763 370 HD2 HIS 596 HD2 HIS 596 4.521 0.530 -2.314 371 HE1 HIS 596 HE1 HIS 596 4.539 -1.742 -5.891 372 HE2 HIS 596 HE2 HIS 596 5.951 -0.375 -4.278 373 H SER 597 HN SER 597 2.122 1.718 0.160 374 HA SER 597 HA SER 597 -0.177 1.667 1.773 375 HB2 SER 597 HB2 SER 597 1.702 3.133 2.273 376 HB3 SER 597 HB3 SER 597 1.467 4.000 0.756 377 HG SER 597 HG SER 597 -0.489 3.861 2.812 378 H THR 598 HN THR 598 0.420 2.733 -1.485 379 HA THR 598 HA THR 598 -2.029 4.077 -1.899 380 HB THR 598 HB THR 598 0.042 4.317 -3.334 381 HG1 THR 598 HG1 THR 598 -2.367 4.673 -3.976 382 HG21 THR 598 HG21 THR 598 0.383 2.719 -5.147 383 HG22 THR 598 HG22 THR 598 -0.896 1.692 -4.500 384 HG23 THR 598 HG23 THR 598 0.585 1.946 -3.574 385 H CYS 599 HN CYS 599 -1.011 0.717 -2.150 386 HA CYS 599 HA CYS 599 -3.387 -0.169 -3.480 387 HB2 CYS 599 HB2 CYS 599 -1.217 -1.728 -2.079 388 HB3 CYS 599 HB3 CYS 599 -2.529 -2.443 -3.007 389 H TYR 600 HN TYR 600 -2.378 0.105 -0.119 390 HA TYR 600 HA TYR 600 -4.355 -1.658 0.917 391 HB2 TYR 600 HB2 TYR 600 -2.340 -0.970 2.195 392 HB3 TYR 600 HB3 TYR 600 -2.972 0.669 2.290 393 HD1 TYR 600 HD1 TYR 600 -4.699 1.230 3.887 394 HD2 TYR 600 HD2 TYR 600 -3.402 -2.787 3.429 395 HE1 TYR 600 HE1 TYR 600 -5.881 0.617 5.960 396 HE2 TYR 600 HE2 TYR 600 -4.572 -3.418 5.492 397 HH TYR 600 HH TYR 600 -5.396 -2.353 7.552 398 H HIS 601 HN HIS 601 -4.228 1.771 0.231 399 HA HIS 601 HA HIS 601 -6.869 2.376 1.114 400 HB2 HIS 601 HB2 HIS 601 -5.096 4.066 0.872 401 HB3 HIS 601 HB3 HIS 601 -5.049 3.778 -0.862 402 HD2 HIS 601 HD2 HIS 601 -6.983 5.019 -2.342 403 HE1 HIS 601 HE1 HIS 601 -8.683 7.112 0.920 404 HE2 HIS 601 HE2 HIS 601 -8.365 7.090 -1.594 405 H GLU 602 HN GLU 602 -5.410 1.243 -1.849 406 HA GLU 602 HA GLU 602 -7.528 1.537 -3.659 407 HB2 GLU 602 HB2 GLU 602 -5.441 1.022 -4.581 408 HB3 GLU 602 HB3 GLU 602 -5.134 -0.258 -3.421 409 HG2 GLU 602 HG2 GLU 602 -5.520 -1.552 -5.214 410 HG3 GLU 602 HG3 GLU 602 -7.197 -1.351 -4.703 411 H THR 603 HN THR 603 -6.868 -0.970 -1.271 412 HA THR 603 HA THR 603 -8.907 -2.694 -2.408 413 HB THR 603 HB THR 603 -6.766 -3.665 -1.629 414 HG1 THR 603 HG1 THR 603 -9.268 -4.491 -0.652 415 HG21 THR 603 HG21 THR 603 -6.375 -3.979 0.769 416 HG22 THR 603 HG22 THR 603 -7.809 -3.021 1.134 417 HG23 THR 603 HG23 THR 603 -6.417 -2.263 0.361 Start of MODEL 10 1 H GLY 548 HN GLY 548 3.368 8.929 1.883 2 HA2 GLY 548 HA2 GLY 548 5.338 9.845 0.918 3 HA3 GLY 548 HA3 GLY 548 5.216 11.203 2.029 4 H LYS 549 HN LYS 549 4.613 8.477 3.789 5 HA LYS 549 HA LYS 549 7.273 8.429 4.880 6 HB2 LYS 549 HB2 LYS 549 4.794 6.841 5.545 7 HB3 LYS 549 HB3 LYS 549 6.337 6.604 6.356 8 HG2 LYS 549 HG2 LYS 549 6.243 9.078 6.931 9 HG3 LYS 549 HG3 LYS 549 4.554 9.013 6.415 10 HD2 LYS 549 HD2 LYS 549 4.085 7.293 8.064 11 HD3 LYS 549 HD3 LYS 549 5.784 7.258 8.538 12 HE2 LYS 549 HE2 LYS 549 5.577 9.641 9.224 13 HE3 LYS 549 HE3 LYS 549 3.853 9.548 8.874 14 HZ1 LYS 549 HZ1 LYS 549 3.706 7.731 10.526 15 HZ2 LYS 549 HZ2 LYS 549 4.206 9.206 11.209 16 HZ3 LYS 549 HZ3 LYS 549 5.338 7.981 10.917 17 H TYR 550 HN TYR 550 8.723 6.778 4.797 18 HA TYR 550 HA TYR 550 8.247 4.694 2.764 19 HB2 TYR 550 HB2 TYR 550 10.574 4.810 2.159 20 HB3 TYR 550 HB3 TYR 550 9.949 6.457 2.141 21 HD1 TYR 550 HD1 TYR 550 10.458 7.969 4.110 22 HD2 TYR 550 HD2 TYR 550 12.375 4.210 3.556 23 HE1 TYR 550 HE1 TYR 550 12.222 8.644 5.684 24 HE2 TYR 550 HE2 TYR 550 14.151 4.869 5.121 25 HH TYR 550 HH TYR 550 15.008 6.534 6.333 26 H VAL 551 HN VAL 551 9.455 2.691 3.190 27 HA VAL 551 HA VAL 551 9.952 2.281 6.076 28 HB VAL 551 HB VAL 551 8.962 0.247 4.060 29 HG11 VAL 551 HG11 VAL 551 10.364 -0.775 5.755 30 HG12 VAL 551 HG12 VAL 551 8.678 -1.226 5.999 31 HG13 VAL 551 HG13 VAL 551 9.423 -0.004 7.029 32 HG21 VAL 551 HG21 VAL 551 6.868 0.280 5.341 33 HG22 VAL 551 HG22 VAL 551 7.223 1.846 4.611 34 HG23 VAL 551 HG23 VAL 551 7.506 1.591 6.332 35 H VAL 552 HN VAL 552 11.897 1.437 6.629 36 HA VAL 552 HA VAL 552 13.984 1.468 4.701 37 HB VAL 552 HB VAL 552 14.097 0.308 7.493 38 HG11 VAL 552 HG11 VAL 552 15.996 -0.307 6.123 39 HG12 VAL 552 HG12 VAL 552 16.489 0.871 7.338 40 HG13 VAL 552 HG13 VAL 552 16.242 1.382 5.670 41 HG21 VAL 552 HG21 VAL 552 14.865 2.511 8.217 42 HG22 VAL 552 HG22 VAL 552 13.236 2.597 7.545 43 HG23 VAL 552 HG23 VAL 552 14.615 3.137 6.587 44 H VAL 553 HN VAL 553 14.742 -0.095 3.455 45 HA VAL 553 HA VAL 553 13.341 -2.506 3.105 46 HB VAL 553 HB VAL 553 16.107 -1.836 2.085 47 HG11 VAL 553 HG11 VAL 553 14.052 -3.825 1.119 48 HG12 VAL 553 HG12 VAL 553 15.579 -4.208 1.910 49 HG13 VAL 553 HG13 VAL 553 15.576 -3.459 0.314 50 HG21 VAL 553 HG21 VAL 553 14.459 -0.132 1.476 51 HG22 VAL 553 HG22 VAL 553 13.409 -1.386 0.813 52 HG23 VAL 553 HG23 VAL 553 14.975 -1.057 0.065 53 HA PRO 554 HA PRO 554 15.295 -5.051 6.228 54 HB2 PRO 554 HB2 PRO 554 13.985 -7.242 4.778 55 HB3 PRO 554 HB3 PRO 554 13.750 -6.706 6.446 56 HG2 PRO 554 HG2 PRO 554 11.891 -6.329 4.522 57 HG3 PRO 554 HG3 PRO 554 12.116 -5.198 5.866 58 HD2 PRO 554 HD2 PRO 554 13.004 -4.969 3.020 59 HD3 PRO 554 HD3 PRO 554 12.399 -3.715 4.121 60 H GLU 555 HN GLU 555 17.157 -6.218 6.236 61 HA GLU 555 HA GLU 555 18.561 -6.411 3.728 62 HB2 GLU 555 HB2 GLU 555 20.511 -7.010 5.060 63 HB3 GLU 555 HB3 GLU 555 19.715 -5.603 5.747 64 HG2 GLU 555 HG2 GLU 555 19.261 -8.388 6.783 65 HG3 GLU 555 HG3 GLU 555 20.555 -7.347 7.375 66 H THR 556 HN THR 556 17.012 -8.597 5.975 67 HA THR 556 HA THR 556 18.017 -10.920 4.521 68 HB THR 556 HB THR 556 16.782 -12.234 6.270 69 HG1 THR 556 HG1 THR 556 15.369 -11.134 7.382 70 HG21 THR 556 HG21 THR 556 18.758 -10.190 7.285 71 HG22 THR 556 HG22 THR 556 19.160 -11.732 6.529 72 HG23 THR 556 HG23 THR 556 18.340 -11.701 8.091 73 H SER 557 HN SER 557 16.214 -9.069 3.225 74 HA SER 557 HA SER 557 13.668 -10.483 3.086 75 HB2 SER 557 HB2 SER 557 13.764 -7.974 3.166 76 HB3 SER 557 HB3 SER 557 14.551 -8.005 1.589 77 HG SER 557 HG SER 557 12.608 -9.269 0.929 78 H GLN 558 HN GLN 558 16.123 -11.718 2.161 79 HA GLN 558 HA GLN 558 16.925 -13.014 0.503 80 HB2 GLN 558 HB2 GLN 558 14.204 -12.600 -0.746 81 HB3 GLN 558 HB3 GLN 558 15.385 -13.798 -1.255 82 HG2 GLN 558 HG2 GLN 558 15.240 -14.830 0.990 83 HG3 GLN 558 HG3 GLN 558 13.966 -13.680 1.394 84 HE21 GLN 558 HE21 GLN 558 14.366 -15.134 -1.768 85 HE22 GLN 558 HE22 GLN 558 12.931 -16.101 -1.707 86 H ASP 559 HN ASP 559 14.884 -11.098 -1.662 87 HA ASP 559 HA ASP 559 17.351 -10.093 -2.922 88 HB2 ASP 559 HB2 ASP 559 16.168 -10.110 -5.057 89 HB3 ASP 559 HB3 ASP 559 16.156 -11.711 -4.330 90 H MET 560 HN MET 560 15.311 -9.068 -0.852 91 HA MET 560 HA MET 560 14.653 -7.040 -0.100 92 HB2 MET 560 HB2 MET 560 16.507 -6.089 -2.281 93 HB3 MET 560 HB3 MET 560 15.705 -5.004 -1.160 94 HG2 MET 560 HG2 MET 560 17.875 -5.329 -0.316 95 HG3 MET 560 HG3 MET 560 16.802 -6.276 0.711 96 HE1 MET 560 HE1 MET 560 19.619 -8.050 -2.492 97 HE2 MET 560 HE2 MET 560 19.556 -6.336 -2.068 98 HE3 MET 560 HE3 MET 560 18.197 -7.091 -2.903 99 H ALA 561 HN ALA 561 13.198 -8.394 -2.322 100 HA ALA 561 HA ALA 561 11.452 -6.140 -2.925 101 HB1 ALA 561 HB1 ALA 561 12.914 -6.360 -4.892 102 HB2 ALA 561 HB2 ALA 561 11.238 -6.759 -5.271 103 HB3 ALA 561 HB3 ALA 561 12.426 -8.047 -5.060 104 H PHE 562 HN PHE 562 9.298 -6.727 -3.132 105 HA PHE 562 HA PHE 562 8.652 -9.582 -2.971 106 HB2 PHE 562 HB2 PHE 562 7.085 -9.274 -1.167 107 HB3 PHE 562 HB3 PHE 562 8.643 -8.640 -0.654 108 HD1 PHE 562 HD1 PHE 562 5.176 -7.867 -1.391 109 HD2 PHE 562 HD2 PHE 562 8.984 -6.224 -0.444 110 HE1 PHE 562 HE1 PHE 562 4.105 -5.730 -0.819 111 HE2 PHE 562 HE2 PHE 562 7.922 -4.077 0.121 112 HZ PHE 562 HZ PHE 562 5.455 -3.863 0.018 113 H LYS 563 HN LYS 563 6.448 -10.070 -3.630 114 HA LYS 563 HA LYS 563 5.588 -8.199 -5.687 115 HB2 LYS 563 HB2 LYS 563 5.850 -10.621 -6.212 116 HB3 LYS 563 HB3 LYS 563 4.559 -10.974 -5.069 117 HG2 LYS 563 HG2 LYS 563 3.472 -10.987 -7.103 118 HG3 LYS 563 HG3 LYS 563 3.156 -9.364 -6.492 119 HD2 LYS 563 HD2 LYS 563 3.735 -9.206 -8.804 120 HD3 LYS 563 HD3 LYS 563 5.061 -8.536 -7.849 121 HE2 LYS 563 HE2 LYS 563 6.319 -10.594 -8.106 122 HE3 LYS 563 HE3 LYS 563 4.975 -11.333 -8.979 123 HZ1 LYS 563 HZ1 LYS 563 5.252 -9.732 -10.742 124 HZ2 LYS 563 HZ2 LYS 563 6.719 -10.529 -10.464 125 HZ3 LYS 563 HZ3 LYS 563 6.490 -8.943 -9.895 126 H CYS 564 HN CYS 564 3.971 -6.849 -5.418 127 HA CYS 564 HA CYS 564 2.408 -6.659 -3.078 128 HB2 CYS 564 HB2 CYS 564 2.852 -4.743 -4.497 129 HB3 CYS 564 HB3 CYS 564 2.054 -5.517 -5.857 130 HA PRO 565 HA PRO 565 -0.126 -10.156 -4.161 131 HB2 PRO 565 HB2 PRO 565 -1.734 -10.127 -1.965 132 HB3 PRO 565 HB3 PRO 565 -0.078 -10.739 -1.942 133 HG2 PRO 565 HG2 PRO 565 -1.144 -8.100 -1.050 134 HG3 PRO 565 HG3 PRO 565 0.087 -9.130 -0.302 135 HD2 PRO 565 HD2 PRO 565 0.676 -6.926 -1.785 136 HD3 PRO 565 HD3 PRO 565 1.759 -8.325 -1.659 137 H ILE 566 HN ILE 566 -1.300 -6.945 -3.697 138 HA ILE 566 HA ILE 566 -4.049 -7.578 -4.240 139 HB ILE 566 HB ILE 566 -2.714 -4.877 -4.145 140 HG12 ILE 566 HG12 ILE 566 -4.201 -6.402 -1.979 141 HG13 ILE 566 HG13 ILE 566 -2.462 -6.140 -2.033 142 HG21 ILE 566 HG21 ILE 566 -4.830 -4.816 -5.314 143 HG22 ILE 566 HG22 ILE 566 -5.005 -4.056 -3.729 144 HG23 ILE 566 HG23 ILE 566 -5.613 -5.691 -3.999 145 HD11 ILE 566 HD11 ILE 566 -3.512 -4.638 -0.469 146 HD12 ILE 566 HD12 ILE 566 -4.560 -4.009 -1.738 147 HD13 ILE 566 HD13 ILE 566 -2.819 -3.740 -1.816 148 H CYS 567 HN CYS 567 -1.364 -6.120 -6.051 149 HA CYS 567 HA CYS 567 -3.027 -6.341 -8.456 150 HB2 CYS 567 HB2 CYS 567 -2.168 -4.178 -9.254 151 HB3 CYS 567 HB3 CYS 567 -3.090 -4.023 -7.763 152 H LYS 568 HN LYS 568 -0.288 -7.372 -7.027 153 HA LYS 568 HA LYS 568 1.413 -8.646 -7.748 154 HB2 LYS 568 HB2 LYS 568 -0.212 -8.519 -10.258 155 HB3 LYS 568 HB3 LYS 568 1.347 -9.333 -10.245 156 HG2 LYS 568 HG2 LYS 568 0.634 -10.912 -8.656 157 HG3 LYS 568 HG3 LYS 568 -0.801 -9.969 -8.252 158 HD2 LYS 568 HD2 LYS 568 -0.304 -11.229 -10.946 159 HD3 LYS 568 HD3 LYS 568 -1.254 -11.978 -9.665 160 HE2 LYS 568 HE2 LYS 568 -2.682 -9.893 -9.672 161 HE3 LYS 568 HE3 LYS 568 -1.842 -9.422 -11.146 162 HZ1 LYS 568 HZ1 LYS 568 -3.448 -11.894 -10.766 163 HZ2 LYS 568 HZ2 LYS 568 -2.616 -11.482 -12.185 164 HZ3 LYS 568 HZ3 LYS 568 -3.911 -10.528 -11.655 165 H GLU 569 HN GLU 569 1.661 -5.696 -7.813 166 HA GLU 569 HA GLU 569 3.720 -5.203 -9.789 167 HB2 GLU 569 HB2 GLU 569 3.147 -3.717 -7.213 168 HB3 GLU 569 HB3 GLU 569 4.168 -3.155 -8.524 169 HG2 GLU 569 HG2 GLU 569 2.309 -2.805 -9.938 170 HG3 GLU 569 HG3 GLU 569 1.236 -3.682 -8.839 171 H THR 570 HN THR 570 5.891 -5.690 -9.522 172 HA THR 570 HA THR 570 6.774 -6.918 -7.071 173 HB THR 570 HB THR 570 8.434 -5.910 -9.409 174 HG1 THR 570 HG1 THR 570 8.375 -8.045 -10.109 175 HG21 THR 570 HG21 THR 570 9.769 -6.159 -7.385 176 HG22 THR 570 HG22 THR 570 10.160 -7.433 -8.540 177 HG23 THR 570 HG23 THR 570 9.135 -7.788 -7.148 178 H VAL 571 HN VAL 571 7.280 -5.782 -5.292 179 HA VAL 571 HA VAL 571 7.730 -2.910 -5.523 180 HB VAL 571 HB VAL 571 7.570 -4.589 -3.013 181 HG11 VAL 571 HG11 VAL 571 7.081 -2.464 -1.898 182 HG12 VAL 571 HG12 VAL 571 7.293 -1.612 -3.427 183 HG13 VAL 571 HG13 VAL 571 8.660 -2.441 -2.683 184 HG21 VAL 571 HG21 VAL 571 5.242 -3.846 -2.827 185 HG22 VAL 571 HG22 VAL 571 5.501 -4.812 -4.279 186 HG23 VAL 571 HG23 VAL 571 5.365 -3.058 -4.402 187 H THR 572 HN THR 572 9.712 -2.182 -5.768 188 HA THR 572 HA THR 572 11.953 -3.676 -4.580 189 HB THR 572 HB THR 572 13.355 -2.516 -6.333 190 HG1 THR 572 HG1 THR 572 12.321 -0.960 -7.340 191 HG21 THR 572 HG21 THR 572 12.670 -4.852 -6.608 192 HG22 THR 572 HG22 THR 572 12.672 -4.018 -8.163 193 HG23 THR 572 HG23 THR 572 11.149 -4.327 -7.332 194 H GLY 573 HN GLY 573 13.739 -2.358 -3.763 195 HA2 GLY 573 HA2 GLY 573 12.898 0.389 -3.117 196 HA3 GLY 573 HA3 GLY 573 13.583 -0.679 -1.896 197 H VAL 574 HN VAL 574 14.640 1.831 -2.614 198 HA VAL 574 HA VAL 574 17.065 1.105 -4.123 199 HB VAL 574 HB VAL 574 15.804 3.846 -3.878 200 HG11 VAL 574 HG11 VAL 574 17.356 4.461 -5.688 201 HG12 VAL 574 HG12 VAL 574 18.084 2.856 -5.590 202 HG13 VAL 574 HG13 VAL 574 18.200 3.963 -4.218 203 HG21 VAL 574 HG21 VAL 574 15.135 3.577 -6.214 204 HG22 VAL 574 HG22 VAL 574 14.381 2.366 -5.176 205 HG23 VAL 574 HG23 VAL 574 15.750 1.924 -6.196 206 H TYR 575 HN TYR 575 19.045 1.792 -3.278 207 HA TYR 575 HA TYR 575 19.052 2.555 -0.492 208 HB2 TYR 575 HB2 TYR 575 20.703 0.934 -1.384 209 HB3 TYR 575 HB3 TYR 575 21.353 2.196 -2.426 210 HD1 TYR 575 HD1 TYR 575 23.317 3.142 -1.713 211 HD2 TYR 575 HD2 TYR 575 20.534 1.779 1.206 212 HE1 TYR 575 HE1 TYR 575 24.845 3.864 0.078 213 HE2 TYR 575 HE2 TYR 575 22.056 2.485 3.005 214 HH TYR 575 HH TYR 575 24.486 2.900 3.310 215 H ASP 576 HN ASP 576 18.883 4.598 0.096 216 HA ASP 576 HA ASP 576 19.537 6.705 -1.831 217 HB2 ASP 576 HB2 ASP 576 17.323 6.838 -0.743 218 HB3 ASP 576 HB3 ASP 576 18.105 6.882 0.837 219 H GLU 577 HN GLU 577 21.574 7.296 -1.802 220 HA GLU 577 HA GLU 577 23.317 6.691 0.344 221 HB2 GLU 577 HB2 GLU 577 23.805 8.510 -2.018 222 HB3 GLU 577 HB3 GLU 577 25.036 7.811 -0.979 223 HG2 GLU 577 HG2 GLU 577 25.126 6.387 -2.759 224 HG3 GLU 577 HG3 GLU 577 23.964 5.543 -1.737 225 H GLU 578 HN GLU 578 21.378 9.458 -0.341 226 HA GLU 578 HA GLU 578 23.006 11.340 1.092 227 HB2 GLU 578 HB2 GLU 578 20.117 11.539 0.229 228 HB3 GLU 578 HB3 GLU 578 21.108 12.869 0.819 229 HG2 GLU 578 HG2 GLU 578 22.654 12.454 -1.099 230 HG3 GLU 578 HG3 GLU 578 21.473 11.298 -1.715 231 H SER 579 HN SER 579 20.197 9.345 1.842 232 HA SER 579 HA SER 579 20.193 10.322 4.592 233 HB2 SER 579 HB2 SER 579 18.201 8.838 4.854 234 HB3 SER 579 HB3 SER 579 18.016 10.020 3.558 235 HG SER 579 HG SER 579 18.422 8.420 2.058 236 H GLY 580 HN GLY 580 21.314 7.669 2.697 237 HA2 GLY 580 HA2 GLY 580 22.967 6.151 3.263 238 HA3 GLY 580 HA3 GLY 580 22.888 6.716 4.924 239 H GLU 581 HN GLU 581 19.987 5.687 3.265 240 HA GLU 581 HA GLU 581 20.137 3.048 4.488 241 HB2 GLU 581 HB2 GLU 581 17.848 3.387 5.479 242 HB3 GLU 581 HB3 GLU 581 19.147 4.281 6.256 243 HG2 GLU 581 HG2 GLU 581 18.474 6.284 4.963 244 HG3 GLU 581 HG3 GLU 581 17.105 5.370 4.329 245 H TRP 582 HN TRP 582 18.386 1.619 3.799 246 HA TRP 582 HA TRP 582 17.722 2.016 1.009 247 HB2 TRP 582 HB2 TRP 582 17.160 -0.265 2.908 248 HB3 TRP 582 HB3 TRP 582 16.723 -0.271 1.198 249 HD1 TRP 582 HD1 TRP 582 19.842 -0.346 3.469 250 HE1 TRP 582 HE1 TRP 582 21.794 -1.348 2.108 251 HE3 TRP 582 HE3 TRP 582 17.560 -0.675 -1.087 252 HZ2 TRP 582 HZ2 TRP 582 22.279 -2.176 -0.547 253 HZ3 TRP 582 HZ3 TRP 582 18.829 -1.591 -2.984 254 HH2 TRP 582 HH2 TRP 582 21.139 -2.325 -2.714 255 H VAL 583 HN VAL 583 15.678 2.318 0.174 256 HA VAL 583 HA VAL 583 13.614 2.929 2.202 257 HB VAL 583 HB VAL 583 12.815 4.742 0.778 258 HG11 VAL 583 HG11 VAL 583 14.494 5.243 2.461 259 HG12 VAL 583 HG12 VAL 583 14.695 6.281 1.047 260 HG13 VAL 583 HG13 VAL 583 15.776 4.909 1.297 261 HG21 VAL 583 HG21 VAL 583 14.006 5.442 -1.216 262 HG22 VAL 583 HG22 VAL 583 13.470 3.764 -1.393 263 HG23 VAL 583 HG23 VAL 583 15.160 4.118 -1.020 264 H TRP 584 HN TRP 584 11.786 1.772 2.023 265 HA TRP 584 HA TRP 584 10.812 1.051 -0.650 266 HB2 TRP 584 HB2 TRP 584 10.154 0.081 2.113 267 HB3 TRP 584 HB3 TRP 584 8.946 -0.062 0.841 268 HD1 TRP 584 HD1 TRP 584 11.884 -0.580 -1.044 269 HE1 TRP 584 HE1 TRP 584 12.526 -3.044 -1.274 270 HE3 TRP 584 HE3 TRP 584 9.073 -2.475 2.770 271 HZ2 TRP 584 HZ2 TRP 584 11.923 -5.494 -0.005 272 HZ3 TRP 584 HZ3 TRP 584 9.162 -4.895 3.204 273 HH2 TRP 584 HH2 TRP 584 10.561 -6.373 1.842 274 H LYS 585 HN LYS 585 9.839 2.738 -1.519 275 HA LYS 585 HA LYS 585 8.386 4.601 0.176 276 HB2 LYS 585 HB2 LYS 585 8.344 5.959 -2.030 277 HB3 LYS 585 HB3 LYS 585 9.848 5.823 -1.132 278 HG2 LYS 585 HG2 LYS 585 10.386 5.539 -3.418 279 HG3 LYS 585 HG3 LYS 585 10.476 3.938 -2.683 280 HD2 LYS 585 HD2 LYS 585 8.331 3.348 -3.575 281 HD3 LYS 585 HD3 LYS 585 8.084 4.987 -4.181 282 HE2 LYS 585 HE2 LYS 585 8.747 3.824 -6.075 283 HE3 LYS 585 HE3 LYS 585 10.245 4.570 -5.531 284 HZ1 LYS 585 HZ1 LYS 585 10.794 2.369 -6.033 285 HZ2 LYS 585 HZ2 LYS 585 9.402 1.745 -5.287 286 HZ3 LYS 585 HZ3 LYS 585 10.653 2.380 -4.341 287 H ASN 586 HN ASN 586 6.326 5.449 -0.507 288 HA ASN 586 HA ASN 586 4.097 5.019 -0.648 289 HB2 ASN 586 HB2 ASN 586 4.786 3.388 -3.117 290 HB3 ASN 586 HB3 ASN 586 3.225 4.062 -2.708 291 HD21 ASN 586 HD21 ASN 586 3.086 5.180 -4.642 292 HD22 ASN 586 HD22 ASN 586 4.036 6.586 -4.964 293 H THR 587 HN THR 587 5.447 3.465 1.106 294 HA THR 587 HA THR 587 4.122 0.850 0.893 295 HB THR 587 HB THR 587 6.998 1.200 1.781 296 HG1 THR 587 HG1 THR 587 6.455 1.453 -0.580 297 HG21 THR 587 HG21 THR 587 5.809 -0.701 2.814 298 HG22 THR 587 HG22 THR 587 7.076 -1.242 1.715 299 HG23 THR 587 HG23 THR 587 5.388 -1.296 1.207 300 H ILE 588 HN ILE 588 3.408 0.006 2.822 301 HA ILE 588 HA ILE 588 4.080 1.410 5.307 302 HB ILE 588 HB ILE 588 2.049 2.506 4.432 303 HG12 ILE 588 HG12 ILE 588 1.488 0.759 6.839 304 HG13 ILE 588 HG13 ILE 588 2.350 2.293 6.869 305 HG21 ILE 588 HG21 ILE 588 1.144 0.701 3.112 306 HG22 ILE 588 HG22 ILE 588 -0.060 1.260 4.273 307 HG23 ILE 588 HG23 ILE 588 0.823 -0.240 4.569 308 HD11 ILE 588 HD11 ILE 588 0.057 2.552 7.615 309 HD12 ILE 588 HD12 ILE 588 -0.529 1.909 6.078 310 HD13 ILE 588 HD13 ILE 588 0.341 3.445 6.122 311 H GLU 589 HN GLU 589 3.821 0.081 7.171 312 HA GLU 589 HA GLU 589 3.514 -2.759 6.574 313 HB2 GLU 589 HB2 GLU 589 5.469 -2.125 7.895 314 HB3 GLU 589 HB3 GLU 589 4.434 -1.373 9.101 315 HG2 GLU 589 HG2 GLU 589 3.432 -3.566 9.575 316 HG3 GLU 589 HG3 GLU 589 4.525 -4.298 8.405 317 H VAL 590 HN VAL 590 1.627 -3.685 6.822 318 HA VAL 590 HA VAL 590 -0.208 -2.692 8.904 319 HB VAL 590 HB VAL 590 -0.998 -3.728 6.170 320 HG11 VAL 590 HG11 VAL 590 -2.590 -4.340 7.918 321 HG12 VAL 590 HG12 VAL 590 -3.273 -3.147 6.814 322 HG13 VAL 590 HG13 VAL 590 -2.706 -2.648 8.408 323 HG21 VAL 590 HG21 VAL 590 -0.081 -1.490 6.003 324 HG22 VAL 590 HG22 VAL 590 -1.127 -0.938 7.309 325 HG23 VAL 590 HG23 VAL 590 -1.829 -1.440 5.773 326 H ASN 591 HN ASN 591 -0.796 -4.214 10.305 327 HA ASN 591 HA ASN 591 -1.053 -6.219 11.339 328 HB2 ASN 591 HB2 ASN 591 -2.679 -6.507 9.444 329 HB3 ASN 591 HB3 ASN 591 -1.414 -7.336 8.548 330 HD21 ASN 591 HD21 ASN 591 -1.989 -7.647 12.017 331 HD22 ASN 591 HD22 ASN 591 -2.490 -9.308 11.961 332 H GLY 592 HN GLY 592 1.567 -5.340 10.716 333 HA2 GLY 592 HA2 GLY 592 3.682 -6.171 11.081 334 HA3 GLY 592 HA3 GLY 592 2.980 -7.773 11.243 335 H LYS 593 HN LYS 593 2.129 -6.214 8.345 336 HA LYS 593 HA LYS 593 4.232 -7.665 6.879 337 HB2 LYS 593 HB2 LYS 593 1.278 -7.554 6.224 338 HB3 LYS 593 HB3 LYS 593 2.510 -8.277 5.198 339 HG2 LYS 593 HG2 LYS 593 2.940 -9.995 6.774 340 HG3 LYS 593 HG3 LYS 593 1.974 -9.186 8.013 341 HD2 LYS 593 HD2 LYS 593 0.893 -10.260 5.408 342 HD3 LYS 593 HD3 LYS 593 0.816 -11.107 6.954 343 HE2 LYS 593 HE2 LYS 593 -0.477 -9.235 7.889 344 HE3 LYS 593 HE3 LYS 593 -0.429 -8.434 6.318 345 HZ1 LYS 593 HZ1 LYS 593 -1.606 -10.357 5.377 346 HZ2 LYS 593 HZ2 LYS 593 -2.507 -9.582 6.585 347 HZ3 LYS 593 HZ3 LYS 593 -1.725 -11.037 6.927 348 H TYR 594 HN TYR 594 4.966 -6.698 5.000 349 HA TYR 594 HA TYR 594 4.447 -3.849 4.834 350 HB2 TYR 594 HB2 TYR 594 6.409 -5.579 3.317 351 HB3 TYR 594 HB3 TYR 594 6.332 -3.820 3.253 352 HD1 TYR 594 HD1 TYR 594 8.060 -6.462 4.649 353 HD2 TYR 594 HD2 TYR 594 6.343 -2.727 5.746 354 HE1 TYR 594 HE1 TYR 594 9.573 -6.341 6.576 355 HE2 TYR 594 HE2 TYR 594 7.852 -2.597 7.683 356 HH TYR 594 HH TYR 594 9.155 -4.111 9.104 357 H PHE 595 HN PHE 595 3.149 -2.936 3.442 358 HA PHE 595 HA PHE 595 2.502 -4.287 0.907 359 HB2 PHE 595 HB2 PHE 595 0.499 -3.071 2.828 360 HB3 PHE 595 HB3 PHE 595 0.124 -3.562 1.181 361 HD1 PHE 595 HD1 PHE 595 -0.059 -4.515 4.502 362 HD2 PHE 595 HD2 PHE 595 0.865 -6.084 0.655 363 HE1 PHE 595 HE1 PHE 595 -0.544 -6.783 5.310 364 HE2 PHE 595 HE2 PHE 595 0.380 -8.356 1.468 365 HZ PHE 595 HZ PHE 595 -0.409 -8.704 3.739 366 H HIS 596 HN HIS 596 1.688 -2.791 -0.742 367 HA HIS 596 HA HIS 596 2.895 -0.241 -0.779 368 HB2 HIS 596 HB2 HIS 596 0.827 -1.632 -2.420 369 HB3 HIS 596 HB3 HIS 596 0.897 0.120 -2.542 370 HD2 HIS 596 HD2 HIS 596 4.305 0.084 -2.367 371 HE1 HIS 596 HE1 HIS 596 3.764 -1.782 -6.126 372 HE2 HIS 596 HE2 HIS 596 5.338 -0.416 -4.692 373 H SER 597 HN SER 597 2.324 1.592 0.150 374 HA SER 597 HA SER 597 0.103 1.782 1.894 375 HB2 SER 597 HB2 SER 597 2.212 3.073 2.200 376 HB3 SER 597 HB3 SER 597 1.812 4.022 0.769 377 HG SER 597 HG SER 597 0.017 3.840 2.939 378 H THR 598 HN THR 598 0.675 2.665 -1.410 379 HA THR 598 HA THR 598 -1.594 4.320 -1.772 380 HB THR 598 HB THR 598 0.442 4.308 -3.253 381 HG1 THR 598 HG1 THR 598 -0.754 5.028 -4.885 382 HG21 THR 598 HG21 THR 598 0.836 1.955 -3.500 383 HG22 THR 598 HG22 THR 598 0.498 2.637 -5.093 384 HG23 THR 598 HG23 THR 598 -0.744 1.717 -4.245 385 H CYS 599 HN CYS 599 -1.009 0.883 -1.991 386 HA CYS 599 HA CYS 599 -3.449 0.240 -3.341 387 HB2 CYS 599 HB2 CYS 599 -1.476 -1.536 -1.905 388 HB3 CYS 599 HB3 CYS 599 -2.831 -2.111 -2.874 389 H TYR 600 HN TYR 600 -2.513 0.556 -0.024 390 HA TYR 600 HA TYR 600 -4.195 -1.250 1.223 391 HB2 TYR 600 HB2 TYR 600 -2.393 -0.090 2.390 392 HB3 TYR 600 HB3 TYR 600 -3.251 1.441 2.237 393 HD1 TYR 600 HD1 TYR 600 -4.511 2.166 4.036 394 HD2 TYR 600 HD2 TYR 600 -3.787 -2.006 3.597 395 HE1 TYR 600 HE1 TYR 600 -5.635 1.749 6.183 396 HE2 TYR 600 HE2 TYR 600 -4.906 -2.429 5.743 397 HH TYR 600 HH TYR 600 -5.410 -1.166 7.842 398 H HIS 601 HN HIS 601 -4.938 1.903 -0.071 399 HA HIS 601 HA HIS 601 -7.344 2.416 1.257 400 HB2 HIS 601 HB2 HIS 601 -6.395 3.224 -1.494 401 HB3 HIS 601 HB3 HIS 601 -7.878 3.835 -0.762 402 HD2 HIS 601 HD2 HIS 601 -4.540 3.498 1.255 403 HE1 HIS 601 HE1 HIS 601 -5.488 7.592 0.769 404 HE2 HIS 601 HE2 HIS 601 -3.813 5.948 1.709 405 H GLU 602 HN GLU 602 -6.650 0.166 -1.333 406 HA GLU 602 HA GLU 602 -9.308 0.089 -2.365 407 HB2 GLU 602 HB2 GLU 602 -8.613 -1.671 -3.777 408 HB3 GLU 602 HB3 GLU 602 -7.234 -0.602 -3.638 409 HG2 GLU 602 HG2 GLU 602 -6.242 -2.661 -3.489 410 HG3 GLU 602 HG3 GLU 602 -6.472 -2.263 -1.787 411 H THR 603 HN THR 603 -7.664 -1.622 0.191 412 HA THR 603 HA THR 603 -9.782 -3.596 0.403 413 HB THR 603 HB THR 603 -7.448 -4.310 0.768 414 HG1 THR 603 HG1 THR 603 -9.468 -5.097 2.053 415 HG21 THR 603 HG21 THR 603 -6.573 -2.276 1.813 416 HG22 THR 603 HG22 THR 603 -6.267 -3.694 2.814 417 HG23 THR 603 HG23 THR 603 -7.563 -2.579 3.244 Start of MODEL 11 1 H GLY 548 HN GLY 548 3.132 9.108 2.012 2 HA2 GLY 548 HA2 GLY 548 5.046 9.810 0.901 3 HA3 GLY 548 HA3 GLY 548 5.125 11.205 1.970 4 H LYS 549 HN LYS 549 4.726 8.525 3.846 5 HA LYS 549 HA LYS 549 7.488 8.543 4.637 6 HB2 LYS 549 HB2 LYS 549 5.150 6.913 5.627 7 HB3 LYS 549 HB3 LYS 549 6.761 6.867 6.324 8 HG2 LYS 549 HG2 LYS 549 4.932 9.255 6.224 9 HG3 LYS 549 HG3 LYS 549 5.317 8.282 7.642 10 HD2 LYS 549 HD2 LYS 549 7.273 9.938 6.051 11 HD3 LYS 549 HD3 LYS 549 6.585 10.370 7.615 12 HE2 LYS 549 HE2 LYS 549 7.658 8.451 8.646 13 HE3 LYS 549 HE3 LYS 549 8.295 7.938 7.085 14 HZ1 LYS 549 HZ1 LYS 549 10.005 9.079 8.281 15 HZ2 LYS 549 HZ2 LYS 549 9.003 10.414 8.573 16 HZ3 LYS 549 HZ3 LYS 549 9.522 10.070 6.996 17 H TYR 550 HN TYR 550 9.000 7.070 4.229 18 HA TYR 550 HA TYR 550 8.273 4.770 2.551 19 HB2 TYR 550 HB2 TYR 550 10.557 4.784 1.730 20 HB3 TYR 550 HB3 TYR 550 9.897 6.407 1.566 21 HD1 TYR 550 HD1 TYR 550 12.322 4.306 3.325 22 HD2 TYR 550 HD2 TYR 550 10.734 8.233 2.941 23 HE1 TYR 550 HE1 TYR 550 14.223 5.188 4.613 24 HE2 TYR 550 HE2 TYR 550 12.623 9.131 4.233 25 HH TYR 550 HH TYR 550 15.251 7.023 5.384 26 H VAL 551 HN VAL 551 9.483 2.797 2.999 27 HA VAL 551 HA VAL 551 10.182 2.593 5.860 28 HB VAL 551 HB VAL 551 9.047 0.421 4.075 29 HG11 VAL 551 HG11 VAL 551 8.807 -0.866 6.149 30 HG12 VAL 551 HG12 VAL 551 9.589 0.434 7.048 31 HG13 VAL 551 HG13 VAL 551 10.494 -0.466 5.830 32 HG21 VAL 551 HG21 VAL 551 7.706 1.998 6.266 33 HG22 VAL 551 HG22 VAL 551 7.006 0.626 5.407 34 HG23 VAL 551 HG23 VAL 551 7.370 2.118 4.539 35 H VAL 552 HN VAL 552 12.130 1.780 6.343 36 HA VAL 552 HA VAL 552 14.080 1.557 4.303 37 HB VAL 552 HB VAL 552 14.321 0.618 7.169 38 HG11 VAL 552 HG11 VAL 552 16.115 -0.201 5.751 39 HG12 VAL 552 HG12 VAL 552 16.724 1.038 6.849 40 HG13 VAL 552 HG13 VAL 552 16.420 1.433 5.157 41 HG21 VAL 552 HG21 VAL 552 14.898 3.342 6.008 42 HG22 VAL 552 HG22 VAL 552 15.249 2.832 7.659 43 HG23 VAL 552 HG23 VAL 552 13.578 2.936 7.105 44 H VAL 553 HN VAL 553 14.794 -0.175 3.202 45 HA VAL 553 HA VAL 553 13.203 -2.476 3.059 46 HB VAL 553 HB VAL 553 16.066 -2.176 2.134 47 HG11 VAL 553 HG11 VAL 553 15.542 -3.973 0.569 48 HG12 VAL 553 HG12 VAL 553 13.922 -4.106 1.253 49 HG13 VAL 553 HG13 VAL 553 15.328 -4.505 2.238 50 HG21 VAL 553 HG21 VAL 553 15.126 -1.590 -0.036 51 HG22 VAL 553 HG22 VAL 553 14.608 -0.446 1.203 52 HG23 VAL 553 HG23 VAL 553 13.497 -1.689 0.632 53 HA PRO 554 HA PRO 554 14.560 -4.495 6.765 54 HB2 PRO 554 HB2 PRO 554 13.260 -6.828 5.501 55 HB3 PRO 554 HB3 PRO 554 12.936 -6.070 7.062 56 HG2 PRO 554 HG2 PRO 554 11.262 -5.802 4.974 57 HG3 PRO 554 HG3 PRO 554 11.508 -4.508 6.161 58 HD2 PRO 554 HD2 PRO 554 12.545 -4.746 3.374 59 HD3 PRO 554 HD3 PRO 554 12.067 -3.304 4.288 60 H GLU 555 HN GLU 555 16.358 -5.565 7.241 61 HA GLU 555 HA GLU 555 18.021 -6.612 5.149 62 HB2 GLU 555 HB2 GLU 555 19.625 -7.066 6.983 63 HB3 GLU 555 HB3 GLU 555 19.044 -5.406 6.994 64 HG2 GLU 555 HG2 GLU 555 17.406 -6.065 8.743 65 HG3 GLU 555 HG3 GLU 555 18.182 -7.647 8.803 66 H THR 556 HN THR 556 15.743 -7.850 7.377 67 HA THR 556 HA THR 556 16.553 -10.612 7.033 68 HB THR 556 HB THR 556 14.476 -11.034 8.437 69 HG1 THR 556 HG1 THR 556 14.155 -8.753 9.600 70 HG21 THR 556 HG21 THR 556 16.639 -9.255 9.562 71 HG22 THR 556 HG22 THR 556 16.699 -11.013 9.424 72 HG23 THR 556 HG23 THR 556 15.541 -10.251 10.516 73 H SER 557 HN SER 557 15.057 -8.465 5.127 74 HA SER 557 HA SER 557 13.121 -10.369 4.035 75 HB2 SER 557 HB2 SER 557 12.461 -7.949 4.344 76 HB3 SER 557 HB3 SER 557 13.651 -7.533 3.109 77 HG SER 557 HG SER 557 12.208 -8.042 1.690 78 H GLN 558 HN GLN 558 13.717 -11.651 2.433 79 HA GLN 558 HA GLN 558 16.373 -11.570 1.435 80 HB2 GLN 558 HB2 GLN 558 14.029 -13.252 0.514 81 HB3 GLN 558 HB3 GLN 558 15.720 -13.545 0.135 82 HG2 GLN 558 HG2 GLN 558 14.448 -13.657 2.859 83 HG3 GLN 558 HG3 GLN 558 15.012 -15.023 1.896 84 HE21 GLN 558 HE21 GLN 558 15.768 -14.079 4.583 85 HE22 GLN 558 HE22 GLN 558 17.486 -13.856 4.528 86 H ASP 559 HN ASP 559 17.189 -10.923 -0.442 87 HA ASP 559 HA ASP 559 17.418 -10.046 -2.513 88 HB2 ASP 559 HB2 ASP 559 14.575 -10.985 -2.743 89 HB3 ASP 559 HB3 ASP 559 15.387 -10.154 -4.067 90 H MET 560 HN MET 560 15.813 -8.645 -0.134 91 HA MET 560 HA MET 560 15.202 -6.526 0.374 92 HB2 MET 560 HB2 MET 560 16.860 -5.978 -2.083 93 HB3 MET 560 HB3 MET 560 16.172 -4.699 -1.091 94 HG2 MET 560 HG2 MET 560 18.428 -4.985 -0.423 95 HG3 MET 560 HG3 MET 560 17.412 -5.643 0.854 96 HE1 MET 560 HE1 MET 560 18.403 -7.197 -2.618 97 HE2 MET 560 HE2 MET 560 19.774 -8.208 -2.166 98 HE3 MET 560 HE3 MET 560 19.903 -6.451 -2.069 99 H ALA 561 HN ALA 561 13.423 -8.116 -1.323 100 HA ALA 561 HA ALA 561 11.794 -5.942 -2.377 101 HB1 ALA 561 HB1 ALA 561 13.144 -6.727 -4.273 102 HB2 ALA 561 HB2 ALA 561 11.429 -7.076 -4.497 103 HB3 ALA 561 HB3 ALA 561 12.538 -8.361 -4.018 104 H PHE 562 HN PHE 562 9.564 -6.500 -2.607 105 HA PHE 562 HA PHE 562 8.800 -9.180 -1.724 106 HB2 PHE 562 HB2 PHE 562 7.188 -8.455 -0.141 107 HB3 PHE 562 HB3 PHE 562 8.664 -7.590 0.252 108 HD1 PHE 562 HD1 PHE 562 5.203 -7.294 -0.785 109 HD2 PHE 562 HD2 PHE 562 8.861 -5.192 -0.276 110 HE1 PHE 562 HE1 PHE 562 3.992 -5.150 -0.901 111 HE2 PHE 562 HE2 PHE 562 7.662 -3.053 -0.385 112 HZ PHE 562 HZ PHE 562 5.117 -3.087 -0.557 113 H LYS 563 HN LYS 563 6.439 -9.583 -2.188 114 HA LYS 563 HA LYS 563 5.835 -8.378 -4.797 115 HB2 LYS 563 HB2 LYS 563 6.178 -10.848 -4.666 116 HB3 LYS 563 HB3 LYS 563 4.789 -10.949 -3.596 117 HG2 LYS 563 HG2 LYS 563 4.038 -11.564 -5.749 118 HG3 LYS 563 HG3 LYS 563 3.423 -9.935 -5.440 119 HD2 LYS 563 HD2 LYS 563 5.022 -8.947 -6.861 120 HD3 LYS 563 HD3 LYS 563 5.987 -10.424 -6.929 121 HE2 LYS 563 HE2 LYS 563 3.181 -10.234 -7.990 122 HE3 LYS 563 HE3 LYS 563 4.608 -9.913 -8.971 123 HZ1 LYS 563 HZ1 LYS 563 3.739 -12.211 -9.150 124 HZ2 LYS 563 HZ2 LYS 563 4.152 -12.465 -7.529 125 HZ3 LYS 563 HZ3 LYS 563 5.361 -12.125 -8.671 126 H CYS 564 HN CYS 564 4.139 -7.049 -4.977 127 HA CYS 564 HA CYS 564 2.455 -6.539 -2.679 128 HB2 CYS 564 HB2 CYS 564 3.310 -4.727 -4.126 129 HB3 CYS 564 HB3 CYS 564 2.419 -5.398 -5.482 130 HA PRO 565 HA PRO 565 -0.249 -9.783 -4.121 131 HB2 PRO 565 HB2 PRO 565 -2.031 -9.697 -2.077 132 HB3 PRO 565 HB3 PRO 565 -0.431 -10.426 -1.929 133 HG2 PRO 565 HG2 PRO 565 -1.372 -7.739 -1.035 134 HG3 PRO 565 HG3 PRO 565 -0.293 -8.888 -0.220 135 HD2 PRO 565 HD2 PRO 565 0.593 -6.696 -1.575 136 HD3 PRO 565 HD3 PRO 565 1.543 -8.183 -1.396 137 H ILE 566 HN ILE 566 -1.403 -6.546 -3.379 138 HA ILE 566 HA ILE 566 -4.115 -7.045 -4.108 139 HB ILE 566 HB ILE 566 -2.722 -4.376 -3.884 140 HG12 ILE 566 HG12 ILE 566 -4.143 -6.041 -1.794 141 HG13 ILE 566 HG13 ILE 566 -2.429 -5.639 -1.831 142 HG21 ILE 566 HG21 ILE 566 -5.643 -5.117 -3.711 143 HG22 ILE 566 HG22 ILE 566 -4.864 -4.249 -5.034 144 HG23 ILE 566 HG23 ILE 566 -4.978 -3.506 -3.438 145 HD11 ILE 566 HD11 ILE 566 -2.984 -3.284 -1.504 146 HD12 ILE 566 HD12 ILE 566 -3.597 -4.299 -0.197 147 HD13 ILE 566 HD13 ILE 566 -4.697 -3.703 -1.440 148 H CYS 567 HN CYS 567 -1.310 -5.782 -5.815 149 HA CYS 567 HA CYS 567 -2.936 -5.648 -8.255 150 HB2 CYS 567 HB2 CYS 567 -1.662 -3.655 -8.954 151 HB3 CYS 567 HB3 CYS 567 -2.554 -3.376 -7.457 152 H LYS 568 HN LYS 568 -0.481 -7.186 -6.777 153 HA LYS 568 HA LYS 568 1.020 -8.717 -7.473 154 HB2 LYS 568 HB2 LYS 568 -0.128 -8.210 -10.216 155 HB3 LYS 568 HB3 LYS 568 0.917 -9.556 -9.779 156 HG2 LYS 568 HG2 LYS 568 -0.776 -10.385 -8.232 157 HG3 LYS 568 HG3 LYS 568 -1.816 -9.017 -8.634 158 HD2 LYS 568 HD2 LYS 568 -2.536 -10.959 -9.859 159 HD3 LYS 568 HD3 LYS 568 -1.848 -9.783 -10.980 160 HE2 LYS 568 HE2 LYS 568 -1.086 -12.011 -11.536 161 HE3 LYS 568 HE3 LYS 568 0.267 -11.031 -10.972 162 HZ1 LYS 568 HZ1 LYS 568 0.224 -12.123 -8.880 163 HZ2 LYS 568 HZ2 LYS 568 0.171 -13.335 -10.069 164 HZ3 LYS 568 HZ3 LYS 568 -1.237 -12.905 -9.229 165 H GLU 569 HN GLU 569 1.685 -5.810 -7.467 166 HA GLU 569 HA GLU 569 3.744 -5.515 -9.462 167 HB2 GLU 569 HB2 GLU 569 3.193 -3.979 -6.919 168 HB3 GLU 569 HB3 GLU 569 4.452 -3.560 -8.067 169 HG2 GLU 569 HG2 GLU 569 2.821 -3.066 -9.753 170 HG3 GLU 569 HG3 GLU 569 1.522 -3.655 -8.712 171 H THR 570 HN THR 570 5.854 -6.105 -9.265 172 HA THR 570 HA THR 570 6.723 -7.376 -6.799 173 HB THR 570 HB THR 570 8.275 -6.863 -9.358 174 HG1 THR 570 HG1 THR 570 6.746 -8.299 -9.959 175 HG21 THR 570 HG21 THR 570 9.715 -7.253 -7.423 176 HG22 THR 570 HG22 THR 570 9.771 -8.627 -8.527 177 HG23 THR 570 HG23 THR 570 8.823 -8.727 -7.044 178 H VAL 571 HN VAL 571 7.623 -6.145 -5.209 179 HA VAL 571 HA VAL 571 8.229 -3.362 -5.907 180 HB VAL 571 HB VAL 571 7.936 -4.517 -3.141 181 HG11 VAL 571 HG11 VAL 571 7.696 -1.681 -4.154 182 HG12 VAL 571 HG12 VAL 571 9.065 -2.353 -3.269 183 HG13 VAL 571 HG13 VAL 571 7.493 -2.208 -2.483 184 HG21 VAL 571 HG21 VAL 571 5.625 -3.762 -3.145 185 HG22 VAL 571 HG22 VAL 571 5.894 -4.960 -4.412 186 HG23 VAL 571 HG23 VAL 571 5.778 -3.249 -4.824 187 H THR 572 HN THR 572 10.277 -2.910 -6.251 188 HA THR 572 HA THR 572 12.335 -4.208 -4.605 189 HB THR 572 HB THR 572 13.923 -3.316 -6.368 190 HG1 THR 572 HG1 THR 572 13.112 -2.146 -7.935 191 HG21 THR 572 HG21 THR 572 13.427 -5.090 -7.989 192 HG22 THR 572 HG22 THR 572 11.813 -5.270 -7.298 193 HG23 THR 572 HG23 THR 572 13.236 -5.667 -6.335 194 H GLY 573 HN GLY 573 14.113 -2.752 -3.887 195 HA2 GLY 573 HA2 GLY 573 13.173 0.025 -3.589 196 HA3 GLY 573 HA3 GLY 573 13.734 -0.897 -2.200 197 H VAL 574 HN VAL 574 14.794 1.552 -3.077 198 HA VAL 574 HA VAL 574 17.406 0.787 -4.210 199 HB VAL 574 HB VAL 574 16.099 3.523 -4.246 200 HG11 VAL 574 HG11 VAL 574 18.511 2.499 -5.743 201 HG12 VAL 574 HG12 VAL 574 18.556 3.561 -4.336 202 HG13 VAL 574 HG13 VAL 574 17.828 4.123 -5.840 203 HG21 VAL 574 HG21 VAL 574 16.310 1.512 -6.478 204 HG22 VAL 574 HG22 VAL 574 15.665 3.147 -6.608 205 HG23 VAL 574 HG23 VAL 574 14.835 1.948 -5.617 206 H TYR 575 HN TYR 575 19.264 1.774 -3.273 207 HA TYR 575 HA TYR 575 18.967 2.352 -0.458 208 HB2 TYR 575 HB2 TYR 575 20.813 0.905 -1.303 209 HB3 TYR 575 HB3 TYR 575 21.478 2.305 -2.138 210 HD1 TYR 575 HD1 TYR 575 23.224 3.395 -1.074 211 HD2 TYR 575 HD2 TYR 575 20.309 1.408 1.299 212 HE1 TYR 575 HE1 TYR 575 24.477 3.994 0.957 213 HE2 TYR 575 HE2 TYR 575 21.550 2.000 3.339 214 HH TYR 575 HH TYR 575 23.868 2.596 3.983 215 H ASP 576 HN ASP 576 18.654 4.327 0.283 216 HA ASP 576 HA ASP 576 19.176 6.642 -1.420 217 HB2 ASP 576 HB2 ASP 576 17.014 6.443 -0.190 218 HB3 ASP 576 HB3 ASP 576 17.896 6.477 1.330 219 H GLU 577 HN GLU 577 21.284 7.058 -1.411 220 HA GLU 577 HA GLU 577 23.033 6.427 0.704 221 HB2 GLU 577 HB2 GLU 577 23.506 8.269 -1.645 222 HB3 GLU 577 HB3 GLU 577 24.747 7.526 -0.645 223 HG2 GLU 577 HG2 GLU 577 23.971 5.302 -1.389 224 HG3 GLU 577 HG3 GLU 577 22.806 6.092 -2.446 225 H GLU 578 HN GLU 578 21.111 9.224 0.091 226 HA GLU 578 HA GLU 578 22.753 11.083 1.518 227 HB2 GLU 578 HB2 GLU 578 20.986 11.617 -0.252 228 HB3 GLU 578 HB3 GLU 578 19.794 11.346 1.010 229 HG2 GLU 578 HG2 GLU 578 20.220 13.692 0.819 230 HG3 GLU 578 HG3 GLU 578 20.867 13.109 2.353 231 H SER 579 HN SER 579 19.758 9.302 2.280 232 HA SER 579 HA SER 579 19.899 10.112 5.058 233 HB2 SER 579 HB2 SER 579 17.867 8.700 5.315 234 HB3 SER 579 HB3 SER 579 17.707 9.894 4.025 235 HG SER 579 HG SER 579 18.144 8.264 2.521 236 H GLY 580 HN GLY 580 21.040 7.535 3.116 237 HA2 GLY 580 HA2 GLY 580 22.574 5.899 3.696 238 HA3 GLY 580 HA3 GLY 580 22.408 6.367 5.379 239 H GLU 581 HN GLU 581 19.562 5.690 3.526 240 HA GLU 581 HA GLU 581 19.320 3.063 4.835 241 HB2 GLU 581 HB2 GLU 581 17.085 5.081 4.583 242 HB3 GLU 581 HB3 GLU 581 17.017 3.523 5.398 243 HG2 GLU 581 HG2 GLU 581 18.655 4.339 7.035 244 HG3 GLU 581 HG3 GLU 581 18.656 5.908 6.228 245 H TRP 582 HN TRP 582 18.253 1.500 3.690 246 HA TRP 582 HA TRP 582 17.704 1.846 0.911 247 HB2 TRP 582 HB2 TRP 582 16.900 -0.328 2.854 248 HB3 TRP 582 HB3 TRP 582 16.635 -0.406 1.116 249 HD1 TRP 582 HD1 TRP 582 19.450 -0.590 3.717 250 HE1 TRP 582 HE1 TRP 582 21.516 -1.675 2.601 251 HE3 TRP 582 HE3 TRP 582 17.746 -0.772 -1.094 252 HZ2 TRP 582 HZ2 TRP 582 22.294 -2.500 0.006 253 HZ3 TRP 582 HZ3 TRP 582 19.201 -1.727 -2.833 254 HH2 TRP 582 HH2 TRP 582 21.424 -2.571 -2.293 255 H VAL 583 HN VAL 583 15.633 2.056 -0.082 256 HA VAL 583 HA VAL 583 13.553 2.870 1.841 257 HB VAL 583 HB VAL 583 12.850 4.636 0.341 258 HG11 VAL 583 HG11 VAL 583 15.799 4.733 0.949 259 HG12 VAL 583 HG12 VAL 583 14.487 5.194 2.035 260 HG13 VAL 583 HG13 VAL 583 14.786 6.128 0.569 261 HG21 VAL 583 HG21 VAL 583 14.117 5.235 -1.637 262 HG22 VAL 583 HG22 VAL 583 13.524 3.578 -1.771 263 HG23 VAL 583 HG23 VAL 583 15.214 3.877 -1.367 264 H TRP 584 HN TRP 584 11.664 1.905 1.674 265 HA TRP 584 HA TRP 584 10.697 1.093 -0.988 266 HB2 TRP 584 HB2 TRP 584 9.893 0.277 1.807 267 HB3 TRP 584 HB3 TRP 584 8.812 0.027 0.443 268 HD1 TRP 584 HD1 TRP 584 11.887 -0.644 -1.142 269 HE1 TRP 584 HE1 TRP 584 12.558 -3.109 -1.071 270 HE3 TRP 584 HE3 TRP 584 8.783 -2.186 2.594 271 HZ2 TRP 584 HZ2 TRP 584 11.846 -5.434 0.382 272 HZ3 TRP 584 HZ3 TRP 584 8.833 -4.550 3.266 273 HH2 TRP 584 HH2 TRP 584 10.331 -6.139 2.188 274 H LYS 585 HN LYS 585 9.749 2.850 -1.900 275 HA LYS 585 HA LYS 585 8.498 4.873 -0.238 276 HB2 LYS 585 HB2 LYS 585 8.573 4.796 -3.259 277 HB3 LYS 585 HB3 LYS 585 8.290 6.187 -2.220 278 HG2 LYS 585 HG2 LYS 585 10.899 4.698 -2.196 279 HG3 LYS 585 HG3 LYS 585 10.564 5.998 -3.337 280 HD2 LYS 585 HD2 LYS 585 10.029 7.461 -1.354 281 HD3 LYS 585 HD3 LYS 585 10.666 6.170 -0.329 282 HE2 LYS 585 HE2 LYS 585 12.823 6.323 -1.424 283 HE3 LYS 585 HE3 LYS 585 12.198 7.524 -2.551 284 HZ1 LYS 585 HZ1 LYS 585 11.748 8.928 -0.518 285 HZ2 LYS 585 HZ2 LYS 585 13.379 8.707 -0.930 286 HZ3 LYS 585 HZ3 LYS 585 12.708 7.834 0.352 287 H ASN 586 HN ASN 586 6.332 5.599 -0.499 288 HA ASN 586 HA ASN 586 4.104 5.175 -0.251 289 HB2 ASN 586 HB2 ASN 586 4.487 3.832 -2.952 290 HB3 ASN 586 HB3 ASN 586 2.945 4.266 -2.243 291 HD21 ASN 586 HD21 ASN 586 2.345 5.645 -3.847 292 HD22 ASN 586 HD22 ASN 586 3.122 7.168 -4.141 293 H THR 587 HN THR 587 5.552 3.467 1.238 294 HA THR 587 HA THR 587 4.154 0.904 0.876 295 HB THR 587 HB THR 587 6.996 1.261 1.853 296 HG1 THR 587 HG1 THR 587 6.460 1.461 -0.499 297 HG21 THR 587 HG21 THR 587 5.387 -1.257 1.380 298 HG22 THR 587 HG22 THR 587 5.880 -0.627 2.952 299 HG23 THR 587 HG23 THR 587 7.096 -1.195 1.808 300 H ILE 588 HN ILE 588 3.312 -0.034 2.678 301 HA ILE 588 HA ILE 588 3.814 1.238 5.280 302 HB ILE 588 HB ILE 588 1.720 2.200 4.373 303 HG12 ILE 588 HG12 ILE 588 1.265 0.271 6.661 304 HG13 ILE 588 HG13 ILE 588 1.960 1.882 6.801 305 HG21 ILE 588 HG21 ILE 588 0.749 -0.657 4.317 306 HG22 ILE 588 HG22 ILE 588 1.033 0.386 2.923 307 HG23 ILE 588 HG23 ILE 588 -0.256 0.770 4.062 308 HD11 ILE 588 HD11 ILE 588 -0.146 2.859 6.064 309 HD12 ILE 588 HD12 ILE 588 -0.368 1.845 7.489 310 HD13 ILE 588 HD13 ILE 588 -0.842 1.246 5.900 311 H GLU 589 HN GLU 589 3.705 -0.195 7.014 312 HA GLU 589 HA GLU 589 3.407 -3.021 6.305 313 HB2 GLU 589 HB2 GLU 589 5.494 -2.417 7.460 314 HB3 GLU 589 HB3 GLU 589 4.568 -1.742 8.796 315 HG2 GLU 589 HG2 GLU 589 3.671 -3.961 9.285 316 HG3 GLU 589 HG3 GLU 589 4.599 -4.629 7.940 317 H VAL 590 HN VAL 590 1.571 -4.003 6.785 318 HA VAL 590 HA VAL 590 -0.094 -2.904 8.954 319 HB VAL 590 HB VAL 590 -1.103 -4.124 6.373 320 HG11 VAL 590 HG11 VAL 590 -3.306 -3.384 7.164 321 HG12 VAL 590 HG12 VAL 590 -2.574 -2.865 8.682 322 HG13 VAL 590 HG13 VAL 590 -2.573 -4.572 8.241 323 HG21 VAL 590 HG21 VAL 590 -0.176 -1.944 5.930 324 HG22 VAL 590 HG22 VAL 590 -1.062 -1.250 7.287 325 HG23 VAL 590 HG23 VAL 590 -1.936 -1.852 5.878 326 H ASN 591 HN ASN 591 -0.245 -4.298 10.533 327 HA ASN 591 HA ASN 591 -0.393 -6.200 11.750 328 HB2 ASN 591 HB2 ASN 591 -2.432 -6.410 10.190 329 HB3 ASN 591 HB3 ASN 591 -1.471 -7.592 9.303 330 HD21 ASN 591 HD21 ASN 591 -2.696 -9.345 9.775 331 HD22 ASN 591 HD22 ASN 591 -2.858 -10.000 11.369 332 H GLY 592 HN GLY 592 2.057 -5.674 10.451 333 HA2 GLY 592 HA2 GLY 592 4.091 -6.786 10.612 334 HA3 GLY 592 HA3 GLY 592 3.221 -8.306 10.725 335 H LYS 593 HN LYS 593 1.983 -6.733 8.093 336 HA LYS 593 HA LYS 593 3.925 -8.056 6.318 337 HB2 LYS 593 HB2 LYS 593 0.932 -7.792 5.996 338 HB3 LYS 593 HB3 LYS 593 2.010 -8.444 4.770 339 HG2 LYS 593 HG2 LYS 593 2.631 -10.264 6.268 340 HG3 LYS 593 HG3 LYS 593 1.590 -9.590 7.524 341 HD2 LYS 593 HD2 LYS 593 -0.356 -9.902 6.060 342 HD3 LYS 593 HD3 LYS 593 0.696 -10.600 4.823 343 HE2 LYS 593 HE2 LYS 593 -0.431 -12.352 6.093 344 HE3 LYS 593 HE3 LYS 593 1.309 -12.399 6.365 345 HZ1 LYS 593 HZ1 LYS 593 -0.629 -11.110 8.209 346 HZ2 LYS 593 HZ2 LYS 593 1.029 -11.351 8.483 347 HZ3 LYS 593 HZ3 LYS 593 -0.023 -12.680 8.412 348 H TYR 594 HN TYR 594 4.380 -7.061 4.309 349 HA TYR 594 HA TYR 594 4.101 -4.161 4.456 350 HB2 TYR 594 HB2 TYR 594 5.950 -5.874 2.788 351 HB3 TYR 594 HB3 TYR 594 5.964 -4.112 2.843 352 HD1 TYR 594 HD1 TYR 594 6.548 -2.971 5.005 353 HD2 TYR 594 HD2 TYR 594 7.057 -7.152 4.431 354 HE1 TYR 594 HE1 TYR 594 8.100 -3.038 6.907 355 HE2 TYR 594 HE2 TYR 594 8.608 -7.233 6.331 356 HH TYR 594 HH TYR 594 10.133 -5.630 7.519 357 H PHE 595 HN PHE 595 3.098 -2.980 2.994 358 HA PHE 595 HA PHE 595 2.276 -4.138 0.432 359 HB2 PHE 595 HB2 PHE 595 0.345 -2.724 2.305 360 HB3 PHE 595 HB3 PHE 595 -0.021 -3.317 0.692 361 HD1 PHE 595 HD1 PHE 595 -0.335 -5.680 0.269 362 HD2 PHE 595 HD2 PHE 595 0.470 -4.224 4.186 363 HE1 PHE 595 HE1 PHE 595 -1.106 -7.813 1.219 364 HE2 PHE 595 HE2 PHE 595 -0.288 -6.361 5.138 365 HZ PHE 595 HZ PHE 595 -1.078 -8.157 3.647 366 H HIS 596 HN HIS 596 1.917 -2.491 -1.186 367 HA HIS 596 HA HIS 596 2.997 0.094 -0.779 368 HB2 HIS 596 HB2 HIS 596 1.088 -1.045 -2.822 369 HB3 HIS 596 HB3 HIS 596 1.488 0.664 -2.817 370 HD2 HIS 596 HD2 HIS 596 4.676 0.521 -2.482 371 HE1 HIS 596 HE1 HIS 596 4.495 -1.906 -5.938 372 HE2 HIS 596 HE2 HIS 596 5.894 -0.241 -4.635 373 H SER 597 HN SER 597 2.120 1.807 0.246 374 HA SER 597 HA SER 597 -0.312 1.544 1.678 375 HB2 SER 597 HB2 SER 597 0.066 4.050 2.114 376 HB3 SER 597 HB3 SER 597 1.310 2.937 2.679 377 HG SER 597 HG SER 597 2.219 4.717 1.582 378 H THR 598 HN THR 598 0.588 3.031 -1.337 379 HA THR 598 HA THR 598 -1.798 4.341 -1.962 380 HB THR 598 HB THR 598 0.208 2.963 -3.777 381 HG1 THR 598 HG1 THR 598 -0.055 5.655 -2.888 382 HG21 THR 598 HG21 THR 598 -1.904 3.366 -4.971 383 HG22 THR 598 HG22 THR 598 -0.626 4.432 -5.551 384 HG23 THR 598 HG23 THR 598 -1.868 5.055 -4.465 385 H CYS 599 HN CYS 599 -0.788 0.987 -2.449 386 HA CYS 599 HA CYS 599 -3.196 0.214 -3.779 387 HB2 CYS 599 HB2 CYS 599 -1.025 -1.474 -2.527 388 HB3 CYS 599 HB3 CYS 599 -2.317 -2.077 -3.560 389 H TYR 600 HN TYR 600 -2.083 0.230 -0.449 390 HA TYR 600 HA TYR 600 -4.002 -1.469 0.677 391 HB2 TYR 600 HB2 TYR 600 -2.054 -0.620 1.921 392 HB3 TYR 600 HB3 TYR 600 -2.735 1.001 1.888 393 HD1 TYR 600 HD1 TYR 600 -4.240 1.704 3.549 394 HD2 TYR 600 HD2 TYR 600 -3.318 -2.435 3.180 395 HE1 TYR 600 HE1 TYR 600 -5.438 1.257 5.652 396 HE2 TYR 600 HE2 TYR 600 -4.515 -2.890 5.282 397 HH TYR 600 HH TYR 600 -5.187 -1.678 7.323 398 H HIS 601 HN HIS 601 -4.137 1.911 -0.251 399 HA HIS 601 HA HIS 601 -6.744 2.412 0.787 400 HB2 HIS 601 HB2 HIS 601 -5.142 4.217 0.313 401 HB3 HIS 601 HB3 HIS 601 -5.211 3.829 -1.402 402 HD2 HIS 601 HD2 HIS 601 -7.378 4.802 -2.773 403 HE1 HIS 601 HE1 HIS 601 -9.060 6.862 0.517 404 HE2 HIS 601 HE2 HIS 601 -9.300 6.362 -1.958 405 H GLU 602 HN GLU 602 -5.491 1.071 -2.164 406 HA GLU 602 HA GLU 602 -7.747 1.270 -3.822 407 HB2 GLU 602 HB2 GLU 602 -5.946 0.637 -5.053 408 HB3 GLU 602 HB3 GLU 602 -5.229 -0.258 -3.727 409 HG2 GLU 602 HG2 GLU 602 -5.640 -1.875 -5.323 410 HG3 GLU 602 HG3 GLU 602 -7.001 -2.037 -4.218 411 H THR 603 HN THR 603 -6.866 -1.086 -1.357 412 HA THR 603 HA THR 603 -9.172 -2.744 -1.997 413 HB THR 603 HB THR 603 -6.980 -3.801 -1.407 414 HG1 THR 603 HG1 THR 603 -9.265 -4.366 0.202 415 HG21 THR 603 HG21 THR 603 -6.274 -2.288 0.373 416 HG22 THR 603 HG22 THR 603 -6.355 -3.947 0.967 417 HG23 THR 603 HG23 THR 603 -7.636 -2.802 1.368 Start of MODEL 12 1 H GLY 548 HN GLY 548 3.222 9.532 0.975 2 HA2 GLY 548 HA2 GLY 548 4.797 9.252 -0.798 3 HA3 GLY 548 HA3 GLY 548 5.396 10.873 -0.472 4 H LYS 549 HN LYS 549 4.853 9.119 2.343 5 HA LYS 549 HA LYS 549 7.567 9.081 3.090 6 HB2 LYS 549 HB2 LYS 549 5.160 7.674 4.238 7 HB3 LYS 549 HB3 LYS 549 6.760 7.575 4.958 8 HG2 LYS 549 HG2 LYS 549 5.248 10.142 4.511 9 HG3 LYS 549 HG3 LYS 549 5.264 9.238 6.026 10 HD2 LYS 549 HD2 LYS 549 7.816 9.441 5.907 11 HD3 LYS 549 HD3 LYS 549 7.536 10.666 4.668 12 HE2 LYS 549 HE2 LYS 549 6.174 11.946 6.256 13 HE3 LYS 549 HE3 LYS 549 6.461 10.718 7.490 14 HZ1 LYS 549 HZ1 LYS 549 8.450 12.547 6.253 15 HZ2 LYS 549 HZ2 LYS 549 8.891 11.208 7.192 16 HZ3 LYS 549 HZ3 LYS 549 7.982 12.459 7.884 17 H TYR 550 HN TYR 550 8.982 7.375 3.391 18 HA TYR 550 HA TYR 550 8.371 4.938 1.873 19 HB2 TYR 550 HB2 TYR 550 10.629 4.851 1.069 20 HB3 TYR 550 HB3 TYR 550 10.004 6.456 0.718 21 HD1 TYR 550 HD1 TYR 550 12.478 4.533 2.558 22 HD2 TYR 550 HD2 TYR 550 10.794 8.400 2.019 23 HE1 TYR 550 HE1 TYR 550 14.409 5.530 3.708 24 HE2 TYR 550 HE2 TYR 550 12.717 9.407 3.164 25 HH TYR 550 HH TYR 550 14.439 8.668 4.852 26 H VAL 551 HN VAL 551 9.565 3.047 2.591 27 HA VAL 551 HA VAL 551 10.311 3.208 5.443 28 HB VAL 551 HB VAL 551 9.120 0.836 3.985 29 HG11 VAL 551 HG11 VAL 551 8.978 -0.203 6.199 30 HG12 VAL 551 HG12 VAL 551 9.763 1.205 6.912 31 HG13 VAL 551 HG13 VAL 551 10.649 0.182 5.782 32 HG21 VAL 551 HG21 VAL 551 7.162 1.216 5.492 33 HG22 VAL 551 HG22 VAL 551 7.396 2.463 4.269 34 HG23 VAL 551 HG23 VAL 551 7.880 2.765 5.939 35 H VAL 552 HN VAL 552 12.268 2.428 5.975 36 HA VAL 552 HA VAL 552 14.177 2.046 3.912 37 HB VAL 552 HB VAL 552 14.492 1.466 6.868 38 HG11 VAL 552 HG11 VAL 552 16.268 0.512 5.507 39 HG12 VAL 552 HG12 VAL 552 16.876 1.870 6.454 40 HG13 VAL 552 HG13 VAL 552 16.535 2.073 4.734 41 HG21 VAL 552 HG21 VAL 552 13.703 3.742 6.517 42 HG22 VAL 552 HG22 VAL 552 14.988 4.019 5.342 43 HG23 VAL 552 HG23 VAL 552 15.390 3.743 7.037 44 H VAL 553 HN VAL 553 15.026 0.232 3.083 45 HA VAL 553 HA VAL 553 13.488 -2.101 3.103 46 HB VAL 553 HB VAL 553 16.363 -1.802 2.244 47 HG11 VAL 553 HG11 VAL 553 15.797 -4.130 2.524 48 HG12 VAL 553 HG12 VAL 553 15.887 -3.750 0.804 49 HG13 VAL 553 HG13 VAL 553 14.317 -3.913 1.591 50 HG21 VAL 553 HG21 VAL 553 14.934 -0.237 1.079 51 HG22 VAL 553 HG22 VAL 553 13.793 -1.527 0.692 52 HG23 VAL 553 HG23 VAL 553 15.409 -1.537 -0.014 53 HA PRO 554 HA PRO 554 14.717 -3.970 6.967 54 HB2 PRO 554 HB2 PRO 554 13.520 -6.345 5.655 55 HB3 PRO 554 HB3 PRO 554 13.131 -5.610 7.212 56 HG2 PRO 554 HG2 PRO 554 11.501 -5.348 5.107 57 HG3 PRO 554 HG3 PRO 554 11.735 -4.025 6.262 58 HD2 PRO 554 HD2 PRO 554 12.848 -4.360 3.511 59 HD3 PRO 554 HD3 PRO 554 12.306 -2.888 4.343 60 H GLU 555 HN GLU 555 16.361 -5.195 7.638 61 HA GLU 555 HA GLU 555 18.464 -5.874 5.913 62 HB2 GLU 555 HB2 GLU 555 18.751 -5.322 8.299 63 HB3 GLU 555 HB3 GLU 555 17.924 -6.805 8.743 64 HG2 GLU 555 HG2 GLU 555 20.281 -7.098 9.018 65 HG3 GLU 555 HG3 GLU 555 19.734 -8.097 7.671 66 H THR 556 HN THR 556 15.885 -7.805 7.331 67 HA THR 556 HA THR 556 17.007 -10.251 6.216 68 HB THR 556 HB THR 556 15.103 -11.333 7.490 69 HG1 THR 556 HG1 THR 556 13.706 -10.053 8.432 70 HG21 THR 556 HG21 THR 556 17.033 -9.654 9.099 71 HG22 THR 556 HG22 THR 556 17.411 -11.206 8.352 72 HG23 THR 556 HG23 THR 556 16.215 -11.120 9.645 73 H SER 557 HN SER 557 16.115 -8.533 4.239 74 HA SER 557 HA SER 557 13.548 -9.701 3.418 75 HB2 SER 557 HB2 SER 557 13.441 -7.807 1.796 76 HB3 SER 557 HB3 SER 557 13.471 -7.281 3.478 77 HG SER 557 HG SER 557 15.457 -6.498 3.229 78 H GLN 558 HN GLN 558 13.556 -11.188 1.885 79 HA GLN 558 HA GLN 558 15.940 -12.062 0.637 80 HB2 GLN 558 HB2 GLN 558 13.072 -12.669 -0.119 81 HB3 GLN 558 HB3 GLN 558 14.489 -13.581 -0.624 82 HG2 GLN 558 HG2 GLN 558 14.920 -14.242 1.666 83 HG3 GLN 558 HG3 GLN 558 13.569 -13.259 2.226 84 HE21 GLN 558 HE21 GLN 558 14.022 -16.119 2.550 85 HE22 GLN 558 HE22 GLN 558 12.654 -16.903 1.824 86 H ASP 559 HN ASP 559 16.982 -11.006 -0.892 87 HA ASP 559 HA ASP 559 17.498 -9.796 -2.730 88 HB2 ASP 559 HB2 ASP 559 14.739 -10.702 -3.471 89 HB3 ASP 559 HB3 ASP 559 15.551 -9.501 -4.469 90 H MET 560 HN MET 560 15.897 -8.688 -0.308 91 HA MET 560 HA MET 560 15.187 -6.679 0.459 92 HB2 MET 560 HB2 MET 560 16.833 -5.750 -1.891 93 HB3 MET 560 HB3 MET 560 16.119 -4.644 -0.724 94 HG2 MET 560 HG2 MET 560 17.372 -5.775 1.071 95 HG3 MET 560 HG3 MET 560 18.143 -6.794 -0.146 96 HE1 MET 560 HE1 MET 560 20.939 -4.260 1.074 97 HE2 MET 560 HE2 MET 560 20.481 -5.961 0.972 98 HE3 MET 560 HE3 MET 560 19.609 -4.876 2.054 99 H ALA 561 HN ALA 561 13.369 -8.079 -1.177 100 HA ALA 561 HA ALA 561 11.746 -5.856 -2.155 101 HB1 ALA 561 HB1 ALA 561 12.947 -6.694 -4.108 102 HB2 ALA 561 HB2 ALA 561 11.219 -7.031 -4.219 103 HB3 ALA 561 HB3 ALA 561 12.339 -8.322 -3.785 104 H PHE 562 HN PHE 562 9.477 -6.451 -2.456 105 HA PHE 562 HA PHE 562 8.684 -9.080 -1.459 106 HB2 PHE 562 HB2 PHE 562 7.113 -8.289 0.141 107 HB3 PHE 562 HB3 PHE 562 8.609 -7.435 0.481 108 HD1 PHE 562 HD1 PHE 562 5.142 -7.114 -0.633 109 HD2 PHE 562 HD2 PHE 562 8.819 -5.062 0.016 110 HE1 PHE 562 HE1 PHE 562 3.962 -4.955 -0.767 111 HE2 PHE 562 HE2 PHE 562 7.650 -2.909 -0.123 112 HZ PHE 562 HZ PHE 562 5.105 -2.907 -0.432 113 H LYS 563 HN LYS 563 6.556 -9.687 -2.185 114 HA LYS 563 HA LYS 563 5.810 -8.291 -4.627 115 HB2 LYS 563 HB2 LYS 563 5.926 -10.707 -4.782 116 HB3 LYS 563 HB3 LYS 563 4.836 -10.889 -3.417 117 HG2 LYS 563 HG2 LYS 563 3.541 -11.320 -5.330 118 HG3 LYS 563 HG3 LYS 563 3.098 -9.695 -4.797 119 HD2 LYS 563 HD2 LYS 563 3.318 -9.508 -7.112 120 HD3 LYS 563 HD3 LYS 563 4.838 -8.873 -6.485 121 HE2 LYS 563 HE2 LYS 563 5.958 -10.951 -6.962 122 HE3 LYS 563 HE3 LYS 563 4.437 -11.701 -7.447 123 HZ1 LYS 563 HZ1 LYS 563 5.865 -9.494 -8.841 124 HZ2 LYS 563 HZ2 LYS 563 4.321 -10.036 -9.268 125 HZ3 LYS 563 HZ3 LYS 563 5.652 -11.084 -9.391 126 H CYS 564 HN CYS 564 4.205 -6.842 -4.711 127 HA CYS 564 HA CYS 564 2.459 -6.434 -2.453 128 HB2 CYS 564 HB2 CYS 564 3.267 -4.551 -3.825 129 HB3 CYS 564 HB3 CYS 564 2.441 -5.219 -5.226 130 HA PRO 565 HA PRO 565 -0.169 -9.730 -3.870 131 HB2 PRO 565 HB2 PRO 565 -1.946 -8.710 -1.731 132 HB3 PRO 565 HB3 PRO 565 -1.273 -10.325 -1.962 133 HG2 PRO 565 HG2 PRO 565 -0.319 -8.752 -0.054 134 HG3 PRO 565 HG3 PRO 565 0.777 -9.751 -1.028 135 HD2 PRO 565 HD2 PRO 565 0.153 -6.824 -1.286 136 HD3 PRO 565 HD3 PRO 565 1.730 -7.644 -1.335 137 H ILE 566 HN ILE 566 -1.449 -6.473 -3.316 138 HA ILE 566 HA ILE 566 -3.992 -7.044 -4.458 139 HB ILE 566 HB ILE 566 -2.707 -4.365 -3.899 140 HG12 ILE 566 HG12 ILE 566 -4.619 -6.049 -2.260 141 HG13 ILE 566 HG13 ILE 566 -2.913 -5.804 -1.901 142 HG21 ILE 566 HG21 ILE 566 -4.967 -3.470 -3.971 143 HG22 ILE 566 HG22 ILE 566 -5.611 -5.070 -4.339 144 HG23 ILE 566 HG23 ILE 566 -4.575 -4.247 -5.505 145 HD11 ILE 566 HD11 ILE 566 -3.320 -3.446 -1.514 146 HD12 ILE 566 HD12 ILE 566 -4.363 -4.438 -0.494 147 HD13 ILE 566 HD13 ILE 566 -5.019 -3.654 -1.933 148 H CYS 567 HN CYS 567 -1.002 -5.652 -5.745 149 HA CYS 567 HA CYS 567 -2.392 -5.347 -8.321 150 HB2 CYS 567 HB2 CYS 567 -0.774 -3.613 -8.918 151 HB3 CYS 567 HB3 CYS 567 -1.643 -3.197 -7.447 152 H LYS 568 HN LYS 568 -0.303 -7.332 -6.767 153 HA LYS 568 HA LYS 568 0.882 -9.128 -7.463 154 HB2 LYS 568 HB2 LYS 568 -0.200 -8.346 -10.169 155 HB3 LYS 568 HB3 LYS 568 0.690 -9.829 -9.852 156 HG2 LYS 568 HG2 LYS 568 -1.036 -10.581 -8.336 157 HG3 LYS 568 HG3 LYS 568 -1.905 -9.056 -8.533 158 HD2 LYS 568 HD2 LYS 568 -2.208 -9.527 -10.904 159 HD3 LYS 568 HD3 LYS 568 -1.310 -11.037 -10.729 160 HE2 LYS 568 HE2 LYS 568 -3.002 -11.917 -9.252 161 HE3 LYS 568 HE3 LYS 568 -3.870 -10.384 -9.277 162 HZ1 LYS 568 HZ1 LYS 568 -4.295 -10.672 -11.620 163 HZ2 LYS 568 HZ2 LYS 568 -4.865 -12.020 -10.762 164 HZ3 LYS 568 HZ3 LYS 568 -3.414 -12.123 -11.638 165 H GLU 569 HN GLU 569 1.951 -6.162 -7.832 166 HA GLU 569 HA GLU 569 4.227 -6.872 -9.532 167 HB2 GLU 569 HB2 GLU 569 2.992 -4.296 -8.699 168 HB3 GLU 569 HB3 GLU 569 4.718 -4.312 -9.035 169 HG2 GLU 569 HG2 GLU 569 2.602 -5.273 -10.944 170 HG3 GLU 569 HG3 GLU 569 3.322 -3.663 -10.966 171 H THR 570 HN THR 570 6.203 -7.148 -8.785 172 HA THR 570 HA THR 570 6.641 -7.382 -5.967 173 HB THR 570 HB THR 570 8.679 -7.436 -8.219 174 HG1 THR 570 HG1 THR 570 8.251 -9.569 -8.395 175 HG21 THR 570 HG21 THR 570 8.808 -8.603 -5.434 176 HG22 THR 570 HG22 THR 570 9.632 -7.135 -5.957 177 HG23 THR 570 HG23 THR 570 10.069 -8.692 -6.664 178 H VAL 571 HN VAL 571 7.402 -5.882 -4.614 179 HA VAL 571 HA VAL 571 8.197 -3.279 -5.688 180 HB VAL 571 HB VAL 571 7.759 -4.032 -2.797 181 HG11 VAL 571 HG11 VAL 571 7.755 -1.372 -4.222 182 HG12 VAL 571 HG12 VAL 571 9.008 -1.980 -3.139 183 HG13 VAL 571 HG13 VAL 571 7.402 -1.616 -2.509 184 HG21 VAL 571 HG21 VAL 571 5.733 -4.546 -4.006 185 HG22 VAL 571 HG22 VAL 571 5.759 -2.964 -4.780 186 HG23 VAL 571 HG23 VAL 571 5.490 -3.087 -3.042 187 H THR 572 HN THR 572 10.282 -3.031 -6.032 188 HA THR 572 HA THR 572 12.213 -4.338 -4.266 189 HB THR 572 HB THR 572 13.866 -3.713 -6.084 190 HG1 THR 572 HG1 THR 572 13.158 -2.582 -7.720 191 HG21 THR 572 HG21 THR 572 11.587 -5.526 -6.882 192 HG22 THR 572 HG22 THR 572 12.966 -5.981 -5.883 193 HG23 THR 572 HG23 THR 572 13.215 -5.541 -7.572 194 H GLY 573 HN GLY 573 14.143 -3.001 -3.682 195 HA2 GLY 573 HA2 GLY 573 13.397 -0.151 -3.541 196 HA3 GLY 573 HA3 GLY 573 13.975 -1.020 -2.127 197 H VAL 574 HN VAL 574 15.090 1.297 -3.206 198 HA VAL 574 HA VAL 574 17.639 0.358 -4.341 199 HB VAL 574 HB VAL 574 16.209 2.960 -4.940 200 HG11 VAL 574 HG11 VAL 574 17.907 3.328 -6.629 201 HG12 VAL 574 HG12 VAL 574 18.699 1.815 -6.188 202 HG13 VAL 574 HG13 VAL 574 18.651 3.151 -5.038 203 HG21 VAL 574 HG21 VAL 574 16.567 0.524 -6.677 204 HG22 VAL 574 HG22 VAL 574 15.855 2.056 -7.186 205 HG23 VAL 574 HG23 VAL 574 15.056 1.077 -5.956 206 H TYR 575 HN TYR 575 19.507 1.407 -3.561 207 HA TYR 575 HA TYR 575 19.198 2.713 -1.010 208 HB2 TYR 575 HB2 TYR 575 21.060 1.156 -1.386 209 HB3 TYR 575 HB3 TYR 575 21.664 2.184 -2.683 210 HD1 TYR 575 HD1 TYR 575 23.481 3.482 -2.141 211 HD2 TYR 575 HD2 TYR 575 20.631 2.577 0.886 212 HE1 TYR 575 HE1 TYR 575 24.810 4.761 -0.501 213 HE2 TYR 575 HE2 TYR 575 21.947 3.842 2.526 214 HH TYR 575 HH TYR 575 24.273 4.585 2.844 215 H ASP 576 HN ASP 576 18.806 4.809 -0.829 216 HA ASP 576 HA ASP 576 19.370 6.570 -3.085 217 HB2 ASP 576 HB2 ASP 576 17.129 6.709 -2.117 218 HB3 ASP 576 HB3 ASP 576 17.816 7.089 -0.539 219 H GLU 577 HN GLU 577 21.185 7.612 -3.150 220 HA GLU 577 HA GLU 577 23.062 7.522 -1.028 221 HB2 GLU 577 HB2 GLU 577 23.084 9.078 -3.614 222 HB3 GLU 577 HB3 GLU 577 24.478 8.830 -2.568 223 HG2 GLU 577 HG2 GLU 577 24.534 6.511 -3.024 224 HG3 GLU 577 HG3 GLU 577 22.935 6.543 -3.762 225 H GLU 578 HN GLU 578 20.652 9.816 -1.913 226 HA GLU 578 HA GLU 578 21.918 12.084 -0.692 227 HB2 GLU 578 HB2 GLU 578 19.051 11.671 -1.544 228 HB3 GLU 578 HB3 GLU 578 19.769 13.208 -1.080 229 HG2 GLU 578 HG2 GLU 578 21.368 12.965 -2.969 230 HG3 GLU 578 HG3 GLU 578 20.488 11.520 -3.463 231 H SER 579 HN SER 579 19.195 9.973 0.213 232 HA SER 579 HA SER 579 19.062 11.179 2.848 233 HB2 SER 579 HB2 SER 579 17.211 9.554 3.211 234 HB3 SER 579 HB3 SER 579 16.982 10.530 1.759 235 HG SER 579 HG SER 579 17.533 8.822 0.501 236 H GLY 580 HN GLY 580 20.583 8.482 1.334 237 HA2 GLY 580 HA2 GLY 580 22.278 7.150 2.196 238 HA3 GLY 580 HA3 GLY 580 22.002 7.869 3.774 239 H GLU 581 HN GLU 581 19.236 6.623 2.176 240 HA GLU 581 HA GLU 581 19.292 4.256 3.942 241 HB2 GLU 581 HB2 GLU 581 16.875 5.885 3.143 242 HB3 GLU 581 HB3 GLU 581 16.886 4.502 4.225 243 HG2 GLU 581 HG2 GLU 581 18.333 7.080 4.759 244 HG3 GLU 581 HG3 GLU 581 16.712 6.720 5.341 245 H TRP 582 HN TRP 582 18.387 2.331 3.128 246 HA TRP 582 HA TRP 582 17.833 2.123 0.305 247 HB2 TRP 582 HB2 TRP 582 17.434 0.189 2.603 248 HB3 TRP 582 HB3 TRP 582 16.988 -0.184 0.938 249 HD1 TRP 582 HD1 TRP 582 20.083 0.332 3.157 250 HE1 TRP 582 HE1 TRP 582 22.107 -0.743 1.963 251 HE3 TRP 582 HE3 TRP 582 17.862 -0.799 -1.308 252 HZ2 TRP 582 HZ2 TRP 582 22.663 -1.905 -0.559 253 HZ3 TRP 582 HZ3 TRP 582 19.199 -1.888 -3.059 254 HH2 TRP 582 HH2 TRP 582 21.557 -2.430 -2.689 255 H VAL 583 HN VAL 583 15.838 2.304 -0.635 256 HA VAL 583 HA VAL 583 13.742 3.133 1.265 257 HB VAL 583 HB VAL 583 12.927 4.725 -0.383 258 HG11 VAL 583 HG11 VAL 583 15.913 4.977 -0.018 259 HG12 VAL 583 HG12 VAL 583 14.685 5.472 1.146 260 HG13 VAL 583 HG13 VAL 583 14.801 6.287 -0.413 261 HG21 VAL 583 HG21 VAL 583 15.177 3.738 -2.139 262 HG22 VAL 583 HG22 VAL 583 14.142 5.125 -2.482 263 HG23 VAL 583 HG23 VAL 583 13.450 3.503 -2.418 264 H TRP 584 HN TRP 584 11.872 2.126 1.280 265 HA TRP 584 HA TRP 584 10.797 1.017 -1.240 266 HB2 TRP 584 HB2 TRP 584 10.184 0.390 1.657 267 HB3 TRP 584 HB3 TRP 584 9.036 0.006 0.382 268 HD1 TRP 584 HD1 TRP 584 12.130 -0.655 -1.265 269 HE1 TRP 584 HE1 TRP 584 12.833 -3.113 -1.087 270 HE3 TRP 584 HE3 TRP 584 9.060 -2.054 2.569 271 HZ2 TRP 584 HZ2 TRP 584 12.158 -5.373 0.492 272 HZ3 TRP 584 HZ3 TRP 584 9.149 -4.388 3.354 273 HH2 TRP 584 HH2 TRP 584 10.665 -6.005 2.335 274 H LYS 585 HN LYS 585 9.698 2.655 -2.216 275 HA LYS 585 HA LYS 585 8.596 4.773 -0.582 276 HB2 LYS 585 HB2 LYS 585 8.118 5.876 -2.809 277 HB3 LYS 585 HB3 LYS 585 9.805 5.597 -2.416 278 HG2 LYS 585 HG2 LYS 585 9.671 5.029 -4.659 279 HG3 LYS 585 HG3 LYS 585 9.568 3.467 -3.849 280 HD2 LYS 585 HD2 LYS 585 7.207 3.370 -4.173 281 HD3 LYS 585 HD3 LYS 585 7.160 5.049 -4.716 282 HE2 LYS 585 HE2 LYS 585 8.562 2.795 -6.145 283 HE3 LYS 585 HE3 LYS 585 6.989 3.459 -6.583 284 HZ1 LYS 585 HZ1 LYS 585 9.617 4.831 -6.680 285 HZ2 LYS 585 HZ2 LYS 585 8.142 5.650 -6.833 286 HZ3 LYS 585 HZ3 LYS 585 8.585 4.481 -7.977 287 H ASN 586 HN ASN 586 6.507 5.484 -0.553 288 HA ASN 586 HA ASN 586 4.300 5.193 -0.197 289 HB2 ASN 586 HB2 ASN 586 4.291 3.779 -2.886 290 HB3 ASN 586 HB3 ASN 586 2.917 4.478 -2.061 291 HD21 ASN 586 HD21 ASN 586 2.558 6.653 -2.132 292 HD22 ASN 586 HD22 ASN 586 3.465 7.737 -3.126 293 H THR 587 HN THR 587 5.805 3.363 1.138 294 HA THR 587 HA THR 587 4.319 0.844 0.812 295 HB THR 587 HB THR 587 7.091 1.237 1.955 296 HG1 THR 587 HG1 THR 587 6.549 1.371 -0.482 297 HG21 THR 587 HG21 THR 587 7.218 -1.222 1.879 298 HG22 THR 587 HG22 THR 587 5.525 -1.285 1.387 299 HG23 THR 587 HG23 THR 587 5.958 -0.663 2.979 300 H ILE 588 HN ILE 588 3.435 -0.106 2.576 301 HA ILE 588 HA ILE 588 3.700 1.198 5.194 302 HB ILE 588 HB ILE 588 1.655 2.088 4.053 303 HG12 ILE 588 HG12 ILE 588 1.078 0.304 6.428 304 HG13 ILE 588 HG13 ILE 588 1.787 1.913 6.519 305 HG21 ILE 588 HG21 ILE 588 -0.273 0.597 3.731 306 HG22 ILE 588 HG22 ILE 588 0.732 -0.786 4.167 307 HG23 ILE 588 HG23 ILE 588 1.090 0.140 2.710 308 HD11 ILE 588 HD11 ILE 588 -0.954 1.269 5.455 309 HD12 ILE 588 HD12 ILE 588 -0.247 2.878 5.616 310 HD13 ILE 588 HD13 ILE 588 -0.589 1.916 7.054 311 H GLU 589 HN GLU 589 3.304 -0.218 6.940 312 HA GLU 589 HA GLU 589 3.169 -3.052 6.199 313 HB2 GLU 589 HB2 GLU 589 5.282 -2.405 7.289 314 HB3 GLU 589 HB3 GLU 589 4.389 -1.792 8.672 315 HG2 GLU 589 HG2 GLU 589 3.979 -4.643 7.892 316 HG3 GLU 589 HG3 GLU 589 5.505 -4.187 8.655 317 H VAL 590 HN VAL 590 1.382 -4.065 6.720 318 HA VAL 590 HA VAL 590 -0.238 -3.063 8.964 319 HB VAL 590 HB VAL 590 -1.324 -4.179 6.367 320 HG11 VAL 590 HG11 VAL 590 -2.762 -3.052 8.766 321 HG12 VAL 590 HG12 VAL 590 -2.715 -4.747 8.282 322 HG13 VAL 590 HG13 VAL 590 -3.515 -3.557 7.254 323 HG21 VAL 590 HG21 VAL 590 -0.438 -1.941 6.042 324 HG22 VAL 590 HG22 VAL 590 -1.364 -1.355 7.424 325 HG23 VAL 590 HG23 VAL 590 -2.201 -1.920 5.978 326 H ASN 591 HN ASN 591 -0.268 -4.517 10.492 327 HA ASN 591 HA ASN 591 -0.397 -6.465 11.641 328 HB2 ASN 591 HB2 ASN 591 -2.485 -6.571 10.078 329 HB3 ASN 591 HB3 ASN 591 -1.571 -7.792 9.208 330 HD21 ASN 591 HD21 ASN 591 -0.310 -8.931 11.548 331 HD22 ASN 591 HD22 ASN 591 -1.539 -9.798 12.409 332 H GLY 592 HN GLY 592 2.038 -5.923 10.318 333 HA2 GLY 592 HA2 GLY 592 4.041 -7.087 10.318 334 HA3 GLY 592 HA3 GLY 592 3.148 -8.591 10.491 335 H LYS 593 HN LYS 593 2.043 -6.604 7.974 336 HA LYS 593 HA LYS 593 3.632 -8.101 6.016 337 HB2 LYS 593 HB2 LYS 593 0.648 -7.627 5.971 338 HB3 LYS 593 HB3 LYS 593 1.566 -8.218 4.592 339 HG2 LYS 593 HG2 LYS 593 2.101 -10.239 5.692 340 HG3 LYS 593 HG3 LYS 593 1.525 -9.632 7.245 341 HD2 LYS 593 HD2 LYS 593 -0.233 -10.032 4.825 342 HD3 LYS 593 HD3 LYS 593 -0.037 -11.221 6.115 343 HE2 LYS 593 HE2 LYS 593 -0.856 -9.567 7.738 344 HE3 LYS 593 HE3 LYS 593 -1.088 -8.410 6.430 345 HZ1 LYS 593 HZ1 LYS 593 -2.437 -11.052 6.575 346 HZ2 LYS 593 HZ2 LYS 593 -2.742 -9.812 5.460 347 HZ3 LYS 593 HZ3 LYS 593 -3.132 -9.594 7.097 348 H TYR 594 HN TYR 594 4.227 -7.024 4.193 349 HA TYR 594 HA TYR 594 3.945 -4.126 4.375 350 HB2 TYR 594 HB2 TYR 594 5.854 -5.845 2.782 351 HB3 TYR 594 HB3 TYR 594 5.820 -4.085 2.726 352 HD1 TYR 594 HD1 TYR 594 6.428 -2.779 4.758 353 HD2 TYR 594 HD2 TYR 594 6.898 -7.002 4.578 354 HE1 TYR 594 HE1 TYR 594 7.962 -2.679 6.675 355 HE2 TYR 594 HE2 TYR 594 8.432 -6.920 6.502 356 HH TYR 594 HH TYR 594 9.944 -5.262 7.580 357 H PHE 595 HN PHE 595 2.928 -2.928 2.937 358 HA PHE 595 HA PHE 595 2.207 -4.010 0.313 359 HB2 PHE 595 HB2 PHE 595 0.236 -2.560 2.111 360 HB3 PHE 595 HB3 PHE 595 -0.084 -3.173 0.499 361 HD1 PHE 595 HD1 PHE 595 -0.530 -5.522 0.126 362 HD2 PHE 595 HD2 PHE 595 0.314 -4.031 4.023 363 HE1 PHE 595 HE1 PHE 595 -1.419 -7.594 1.107 364 HE2 PHE 595 HE2 PHE 595 -0.567 -6.107 5.007 365 HZ PHE 595 HZ PHE 595 -1.435 -7.892 3.549 366 H HIS 596 HN HIS 596 1.605 -2.221 -1.187 367 HA HIS 596 HA HIS 596 2.913 0.260 -0.697 368 HB2 HIS 596 HB2 HIS 596 0.817 -0.562 -2.713 369 HB3 HIS 596 HB3 HIS 596 1.430 1.085 -2.625 370 HD2 HIS 596 HD2 HIS 596 4.553 0.733 -2.607 371 HE1 HIS 596 HE1 HIS 596 3.977 -1.898 -5.882 372 HE2 HIS 596 HE2 HIS 596 5.617 -0.345 -4.711 373 H SER 597 HN SER 597 2.204 1.988 0.385 374 HA SER 597 HA SER 597 -0.058 1.903 2.049 375 HB2 SER 597 HB2 SER 597 1.919 3.304 2.508 376 HB3 SER 597 HB3 SER 597 1.536 4.304 1.106 377 HG SER 597 HG SER 597 -0.576 4.608 2.268 378 H THR 598 HN THR 598 0.487 3.108 -1.150 379 HA THR 598 HA THR 598 -1.933 4.492 -1.542 380 HB THR 598 HB THR 598 -0.101 3.086 -3.513 381 HG1 THR 598 HG1 THR 598 -0.085 5.817 -3.424 382 HG21 THR 598 HG21 THR 598 -2.312 3.506 -4.515 383 HG22 THR 598 HG22 THR 598 -1.087 4.568 -5.208 384 HG23 THR 598 HG23 THR 598 -2.223 5.193 -4.013 385 H CYS 599 HN CYS 599 -1.048 1.098 -1.760 386 HA CYS 599 HA CYS 599 -3.426 0.287 -3.133 387 HB2 CYS 599 HB2 CYS 599 -1.353 -1.332 -1.657 388 HB3 CYS 599 HB3 CYS 599 -2.678 -2.018 -2.591 389 H TYR 600 HN TYR 600 -2.516 0.571 0.253 390 HA TYR 600 HA TYR 600 -4.491 -1.131 1.326 391 HB2 TYR 600 HB2 TYR 600 -2.590 -0.275 2.652 392 HB3 TYR 600 HB3 TYR 600 -3.278 1.344 2.588 393 HD1 TYR 600 HD1 TYR 600 -4.879 2.033 4.151 394 HD2 TYR 600 HD2 TYR 600 -3.923 -2.099 3.845 395 HE1 TYR 600 HE1 TYR 600 -6.170 1.596 6.199 396 HE2 TYR 600 HE2 TYR 600 -5.208 -2.551 5.892 397 HH TYR 600 HH TYR 600 -6.027 -1.445 7.824 398 H HIS 601 HN HIS 601 -4.547 2.218 0.349 399 HA HIS 601 HA HIS 601 -7.154 2.840 1.239 400 HB2 HIS 601 HB2 HIS 601 -5.549 4.573 0.683 401 HB3 HIS 601 HB3 HIS 601 -5.470 4.016 -0.982 402 HD2 HIS 601 HD2 HIS 601 -7.383 4.964 -2.647 403 HE1 HIS 601 HE1 HIS 601 -9.458 7.205 0.285 404 HE2 HIS 601 HE2 HIS 601 -9.404 6.536 -2.156 405 H GLU 602 HN GLU 602 -5.886 1.337 -1.663 406 HA GLU 602 HA GLU 602 -8.221 1.438 -3.247 407 HB2 GLU 602 HB2 GLU 602 -6.671 0.770 -4.713 408 HB3 GLU 602 HB3 GLU 602 -5.568 0.339 -3.420 409 HG2 GLU 602 HG2 GLU 602 -5.784 -1.609 -4.682 410 HG3 GLU 602 HG3 GLU 602 -6.837 -1.873 -3.296 411 H THR 603 HN THR 603 -7.094 -0.854 -0.830 412 HA THR 603 HA THR 603 -9.296 -2.667 -1.387 413 HB THR 603 HB THR 603 -7.068 -3.568 -0.761 414 HG1 THR 603 HG1 THR 603 -9.415 -4.143 0.678 415 HG21 THR 603 HG21 THR 603 -6.374 -3.510 1.591 416 HG22 THR 603 HG22 THR 603 -7.696 -2.397 1.948 417 HG23 THR 603 HG23 THR 603 -6.390 -1.901 0.871 Start of MODEL 13 1 H GLY 548 HN GLY 548 3.528 9.392 2.012 2 HA2 GLY 548 HA2 GLY 548 5.391 9.402 0.513 3 HA3 GLY 548 HA3 GLY 548 5.898 10.934 1.211 4 H LYS 549 HN LYS 549 4.897 8.817 3.592 5 HA LYS 549 HA LYS 549 7.454 8.469 4.714 6 HB2 LYS 549 HB2 LYS 549 4.864 6.996 5.234 7 HB3 LYS 549 HB3 LYS 549 6.315 6.816 6.207 8 HG2 LYS 549 HG2 LYS 549 4.797 9.390 5.828 9 HG3 LYS 549 HG3 LYS 549 4.663 8.317 7.223 10 HD2 LYS 549 HD2 LYS 549 7.225 9.637 6.327 11 HD3 LYS 549 HD3 LYS 549 6.166 10.271 7.588 12 HE2 LYS 549 HE2 LYS 549 7.489 7.555 7.645 13 HE3 LYS 549 HE3 LYS 549 8.090 8.985 8.479 14 HZ1 LYS 549 HZ1 LYS 549 6.877 7.701 10.035 15 HZ2 LYS 549 HZ2 LYS 549 5.548 7.538 8.989 16 HZ3 LYS 549 HZ3 LYS 549 5.916 9.044 9.665 17 H TYR 550 HN TYR 550 8.955 6.965 4.412 18 HA TYR 550 HA TYR 550 8.314 4.669 2.704 19 HB2 TYR 550 HB2 TYR 550 10.597 4.637 1.990 20 HB3 TYR 550 HB3 TYR 550 10.051 6.304 1.876 21 HD1 TYR 550 HD1 TYR 550 12.273 3.981 3.631 22 HD2 TYR 550 HD2 TYR 550 10.921 8.010 3.382 23 HE1 TYR 550 HE1 TYR 550 14.178 4.703 5.001 24 HE2 TYR 550 HE2 TYR 550 12.823 8.746 4.756 25 HH TYR 550 HH TYR 550 15.484 6.731 5.419 26 H VAL 551 HN VAL 551 9.445 2.665 3.215 27 HA VAL 551 HA VAL 551 10.086 2.435 6.086 28 HB VAL 551 HB VAL 551 8.949 0.276 4.290 29 HG11 VAL 551 HG11 VAL 551 8.692 -1.007 6.356 30 HG12 VAL 551 HG12 VAL 551 9.463 0.294 7.261 31 HG13 VAL 551 HG13 VAL 551 10.379 -0.601 6.051 32 HG21 VAL 551 HG21 VAL 551 7.588 1.838 6.484 33 HG22 VAL 551 HG22 VAL 551 6.883 0.500 5.574 34 HG23 VAL 551 HG23 VAL 551 7.285 2.011 4.754 35 H VAL 552 HN VAL 552 12.039 1.591 6.579 36 HA VAL 552 HA VAL 552 14.057 1.425 4.628 37 HB VAL 552 HB VAL 552 14.080 0.268 7.429 38 HG11 VAL 552 HG11 VAL 552 16.519 0.553 7.284 39 HG12 VAL 552 HG12 VAL 552 16.352 1.028 5.594 40 HG13 VAL 552 HG13 VAL 552 15.904 -0.601 6.103 41 HG21 VAL 552 HG21 VAL 552 14.929 3.006 6.483 42 HG22 VAL 552 HG22 VAL 552 15.091 2.368 8.120 43 HG23 VAL 552 HG23 VAL 552 13.490 2.635 7.433 44 H VAL 553 HN VAL 553 14.681 -0.172 3.352 45 HA VAL 553 HA VAL 553 13.046 -2.397 2.936 46 HB VAL 553 HB VAL 553 15.897 -2.011 2.008 47 HG11 VAL 553 HG11 VAL 553 15.341 -3.582 0.220 48 HG12 VAL 553 HG12 VAL 553 13.745 -3.828 0.926 49 HG13 VAL 553 HG13 VAL 553 15.185 -4.337 1.806 50 HG21 VAL 553 HG21 VAL 553 13.297 -1.315 0.652 51 HG22 VAL 553 HG22 VAL 553 14.905 -1.174 -0.060 52 HG23 VAL 553 HG23 VAL 553 14.463 -0.173 1.323 53 HA PRO 554 HA PRO 554 14.728 -5.144 6.036 54 HB2 PRO 554 HB2 PRO 554 12.800 -7.054 4.988 55 HB3 PRO 554 HB3 PRO 554 12.858 -6.295 6.579 56 HG2 PRO 554 HG2 PRO 554 10.952 -5.734 4.717 57 HG3 PRO 554 HG3 PRO 554 11.491 -4.573 5.944 58 HD2 PRO 554 HD2 PRO 554 12.217 -4.753 3.047 59 HD3 PRO 554 HD3 PRO 554 11.942 -3.318 4.056 60 H GLU 555 HN GLU 555 16.300 -6.592 5.888 61 HA GLU 555 HA GLU 555 17.235 -7.471 3.320 62 HB2 GLU 555 HB2 GLU 555 18.730 -6.818 5.198 63 HB3 GLU 555 HB3 GLU 555 18.175 -8.221 6.095 64 HG2 GLU 555 HG2 GLU 555 20.344 -8.629 5.101 65 HG3 GLU 555 HG3 GLU 555 19.126 -9.693 4.404 66 H THR 556 HN THR 556 15.053 -8.631 5.599 67 HA THR 556 HA THR 556 15.462 -11.447 5.111 68 HB THR 556 HB THR 556 13.378 -11.642 6.545 69 HG1 THR 556 HG1 THR 556 12.356 -9.847 7.049 70 HG21 THR 556 HG21 THR 556 14.559 -11.038 8.614 71 HG22 THR 556 HG22 THR 556 15.731 -10.117 7.675 72 HG23 THR 556 HG23 THR 556 15.630 -11.867 7.485 73 H SER 557 HN SER 557 13.797 -8.939 3.561 74 HA SER 557 HA SER 557 11.546 -10.505 2.670 75 HB2 SER 557 HB2 SER 557 12.528 -7.794 1.753 76 HB3 SER 557 HB3 SER 557 10.974 -8.518 1.339 77 HG SER 557 HG SER 557 10.712 -7.122 3.078 78 H GLN 558 HN GLN 558 12.861 -12.254 1.780 79 HA GLN 558 HA GLN 558 13.633 -13.487 0.050 80 HB2 GLN 558 HB2 GLN 558 12.382 -11.324 -1.652 81 HB3 GLN 558 HB3 GLN 558 12.838 -12.926 -2.201 82 HG2 GLN 558 HG2 GLN 558 10.728 -12.319 -0.145 83 HG3 GLN 558 HG3 GLN 558 10.437 -12.720 -1.833 84 HE21 GLN 558 HE21 GLN 558 9.244 -14.519 -1.402 85 HE22 GLN 558 HE22 GLN 558 9.920 -15.969 -0.734 86 H ASP 559 HN ASP 559 13.947 -10.605 -1.885 87 HA ASP 559 HA ASP 559 16.837 -10.490 -1.419 88 HB2 ASP 559 HB2 ASP 559 16.454 -11.862 -3.463 89 HB3 ASP 559 HB3 ASP 559 15.575 -10.515 -4.178 90 H MET 560 HN MET 560 15.555 -8.777 -0.131 91 HA MET 560 HA MET 560 15.128 -6.580 0.293 92 HB2 MET 560 HB2 MET 560 16.576 -6.125 -2.322 93 HB3 MET 560 HB3 MET 560 16.204 -4.884 -1.139 94 HG2 MET 560 HG2 MET 560 17.682 -5.885 0.462 95 HG3 MET 560 HG3 MET 560 17.955 -7.268 -0.598 96 HE1 MET 560 HE1 MET 560 20.559 -6.969 -0.345 97 HE2 MET 560 HE2 MET 560 20.339 -5.566 0.704 98 HE3 MET 560 HE3 MET 560 21.421 -5.469 -0.685 99 H ALA 561 HN ALA 561 13.254 -8.226 -1.298 100 HA ALA 561 HA ALA 561 11.677 -6.084 -2.497 101 HB1 ALA 561 HB1 ALA 561 13.026 -6.946 -4.355 102 HB2 ALA 561 HB2 ALA 561 11.315 -7.317 -4.580 103 HB3 ALA 561 HB3 ALA 561 12.428 -8.573 -4.037 104 H PHE 562 HN PHE 562 9.471 -6.510 -2.589 105 HA PHE 562 HA PHE 562 8.563 -9.156 -1.687 106 HB2 PHE 562 HB2 PHE 562 6.940 -8.264 -0.201 107 HB3 PHE 562 HB3 PHE 562 8.438 -7.432 0.186 108 HD1 PHE 562 HD1 PHE 562 5.041 -7.096 -0.920 109 HD2 PHE 562 HD2 PHE 562 8.758 -5.061 -0.573 110 HE1 PHE 562 HE1 PHE 562 3.873 -4.945 -1.164 111 HE2 PHE 562 HE2 PHE 562 7.598 -2.905 -0.818 112 HZ PHE 562 HZ PHE 562 5.147 -2.846 -1.108 113 H LYS 563 HN LYS 563 6.188 -9.481 -2.303 114 HA LYS 563 HA LYS 563 5.730 -8.080 -4.846 115 HB2 LYS 563 HB2 LYS 563 6.210 -10.460 -5.150 116 HB3 LYS 563 HB3 LYS 563 4.888 -10.877 -4.071 117 HG2 LYS 563 HG2 LYS 563 3.266 -10.110 -5.608 118 HG3 LYS 563 HG3 LYS 563 4.486 -9.329 -6.616 119 HD2 LYS 563 HD2 LYS 563 3.686 -11.438 -7.594 120 HD3 LYS 563 HD3 LYS 563 5.408 -11.484 -7.224 121 HE2 LYS 563 HE2 LYS 563 4.988 -12.750 -5.218 122 HE3 LYS 563 HE3 LYS 563 3.248 -12.610 -5.447 123 HZ1 LYS 563 HZ1 LYS 563 5.098 -13.992 -7.315 124 HZ2 LYS 563 HZ2 LYS 563 3.411 -13.919 -7.442 125 HZ3 LYS 563 HZ3 LYS 563 4.129 -14.770 -6.161 126 H CYS 564 HN CYS 564 3.978 -6.938 -5.087 127 HA CYS 564 HA CYS 564 2.176 -6.541 -2.893 128 HB2 CYS 564 HB2 CYS 564 2.899 -4.709 -4.383 129 HB3 CYS 564 HB3 CYS 564 2.136 -5.508 -5.747 130 HA PRO 565 HA PRO 565 -0.382 -9.968 -4.272 131 HB2 PRO 565 HB2 PRO 565 -2.110 -9.943 -2.198 132 HB3 PRO 565 HB3 PRO 565 -0.463 -10.564 -2.056 133 HG2 PRO 565 HG2 PRO 565 -1.551 -7.890 -1.254 134 HG3 PRO 565 HG3 PRO 565 -0.452 -8.961 -0.365 135 HD2 PRO 565 HD2 PRO 565 0.414 -6.813 -1.776 136 HD3 PRO 565 HD3 PRO 565 1.387 -8.282 -1.570 137 H ILE 566 HN ILE 566 -1.429 -6.718 -3.759 138 HA ILE 566 HA ILE 566 -4.194 -7.222 -4.348 139 HB ILE 566 HB ILE 566 -2.739 -4.589 -4.057 140 HG12 ILE 566 HG12 ILE 566 -4.319 -6.059 -1.939 141 HG13 ILE 566 HG13 ILE 566 -2.578 -6.257 -2.113 142 HG21 ILE 566 HG21 ILE 566 -5.666 -5.307 -3.873 143 HG22 ILE 566 HG22 ILE 566 -4.898 -4.320 -5.114 144 HG23 ILE 566 HG23 ILE 566 -4.987 -3.736 -3.453 145 HD11 ILE 566 HD11 ILE 566 -2.255 -3.891 -1.672 146 HD12 ILE 566 HD12 ILE 566 -3.146 -4.669 -0.363 147 HD13 ILE 566 HD13 ILE 566 -3.997 -3.668 -1.540 148 H CYS 567 HN CYS 567 -1.419 -5.863 -6.054 149 HA CYS 567 HA CYS 567 -3.018 -5.983 -8.489 150 HB2 CYS 567 HB2 CYS 567 -1.978 -3.922 -9.329 151 HB3 CYS 567 HB3 CYS 567 -2.943 -3.664 -7.882 152 H LYS 568 HN LYS 568 -0.487 -7.296 -6.984 153 HA LYS 568 HA LYS 568 0.808 -9.015 -7.710 154 HB2 LYS 568 HB2 LYS 568 -0.052 -8.377 -10.525 155 HB3 LYS 568 HB3 LYS 568 0.580 -9.899 -9.920 156 HG2 LYS 568 HG2 LYS 568 -2.016 -8.735 -8.947 157 HG3 LYS 568 HG3 LYS 568 -1.911 -9.776 -10.363 158 HD2 LYS 568 HD2 LYS 568 -0.833 -10.608 -7.684 159 HD3 LYS 568 HD3 LYS 568 -2.516 -10.874 -8.146 160 HE2 LYS 568 HE2 LYS 568 -1.526 -11.978 -10.246 161 HE3 LYS 568 HE3 LYS 568 -0.023 -12.040 -9.322 162 HZ1 LYS 568 HZ1 LYS 568 -2.623 -13.269 -8.582 163 HZ2 LYS 568 HZ2 LYS 568 -1.272 -13.232 -7.562 164 HZ3 LYS 568 HZ3 LYS 568 -1.208 -14.086 -9.026 165 H GLU 569 HN GLU 569 1.902 -6.248 -7.574 166 HA GLU 569 HA GLU 569 3.941 -6.268 -9.674 167 HB2 GLU 569 HB2 GLU 569 3.780 -4.368 -7.345 168 HB3 GLU 569 HB3 GLU 569 4.605 -4.131 -8.874 169 HG2 GLU 569 HG2 GLU 569 2.687 -3.569 -9.975 170 HG3 GLU 569 HG3 GLU 569 1.655 -4.470 -8.858 171 H THR 570 HN THR 570 5.984 -7.056 -9.351 172 HA THR 570 HA THR 570 6.896 -7.745 -6.704 173 HB THR 570 HB THR 570 8.433 -7.657 -9.314 174 HG1 THR 570 HG1 THR 570 7.632 -10.048 -8.056 175 HG21 THR 570 HG21 THR 570 10.033 -9.119 -8.161 176 HG22 THR 570 HG22 THR 570 9.091 -8.974 -6.678 177 HG23 THR 570 HG23 THR 570 9.891 -7.554 -7.352 178 H VAL 571 HN VAL 571 7.765 -6.326 -5.321 179 HA VAL 571 HA VAL 571 8.333 -3.627 -6.345 180 HB VAL 571 HB VAL 571 7.747 -4.427 -3.494 181 HG11 VAL 571 HG11 VAL 571 7.274 -2.051 -3.182 182 HG12 VAL 571 HG12 VAL 571 7.679 -1.745 -4.872 183 HG13 VAL 571 HG13 VAL 571 8.924 -2.302 -3.754 184 HG21 VAL 571 HG21 VAL 571 5.471 -3.521 -3.929 185 HG22 VAL 571 HG22 VAL 571 5.824 -5.013 -4.799 186 HG23 VAL 571 HG23 VAL 571 5.870 -3.468 -5.648 187 H THR 572 HN THR 572 10.339 -2.935 -6.377 188 HA THR 572 HA THR 572 12.348 -4.185 -4.638 189 HB THR 572 HB THR 572 13.998 -3.185 -6.285 190 HG1 THR 572 HG1 THR 572 13.263 -2.130 -7.984 191 HG21 THR 572 HG21 THR 572 13.397 -5.566 -6.339 192 HG22 THR 572 HG22 THR 572 13.682 -4.941 -7.963 193 HG23 THR 572 HG23 THR 572 12.032 -5.198 -7.393 194 H GLY 573 HN GLY 573 14.087 -2.679 -3.848 195 HA2 GLY 573 HA2 GLY 573 13.022 0.037 -3.433 196 HA3 GLY 573 HA3 GLY 573 13.601 -0.917 -2.077 197 H VAL 574 HN VAL 574 14.587 1.601 -2.763 198 HA VAL 574 HA VAL 574 17.189 1.034 -4.031 199 HB VAL 574 HB VAL 574 15.812 3.721 -3.821 200 HG11 VAL 574 HG11 VAL 574 18.136 2.809 -5.511 201 HG12 VAL 574 HG12 VAL 574 18.229 3.842 -4.084 202 HG13 VAL 574 HG13 VAL 574 17.405 4.413 -5.534 203 HG21 VAL 574 HG21 VAL 574 15.858 1.818 -6.161 204 HG22 VAL 574 HG22 VAL 574 15.253 3.472 -6.200 205 HG23 VAL 574 HG23 VAL 574 14.448 2.262 -5.202 206 H TYR 575 HN TYR 575 19.045 1.940 -3.106 207 HA TYR 575 HA TYR 575 18.908 2.326 -0.245 208 HB2 TYR 575 HB2 TYR 575 20.641 0.899 -1.288 209 HB3 TYR 575 HB3 TYR 575 21.302 2.314 -2.096 210 HD1 TYR 575 HD1 TYR 575 23.158 3.299 -1.120 211 HD2 TYR 575 HD2 TYR 575 20.381 1.238 1.360 212 HE1 TYR 575 HE1 TYR 575 24.603 3.708 0.825 213 HE2 TYR 575 HE2 TYR 575 21.824 1.644 3.316 214 HH TYR 575 HH TYR 575 24.300 2.076 3.714 215 H ASP 576 HN ASP 576 18.729 4.267 0.687 216 HA ASP 576 HA ASP 576 19.447 6.660 -0.824 217 HB2 ASP 576 HB2 ASP 576 17.318 6.661 0.431 218 HB3 ASP 576 HB3 ASP 576 18.210 6.383 1.925 219 H GLU 577 HN GLU 577 21.513 7.189 -0.784 220 HA GLU 577 HA GLU 577 23.350 6.091 1.059 221 HB2 GLU 577 HB2 GLU 577 23.668 8.254 -1.020 222 HB3 GLU 577 HB3 GLU 577 25.004 7.540 -0.124 223 HG2 GLU 577 HG2 GLU 577 24.536 5.373 -1.064 224 HG3 GLU 577 HG3 GLU 577 23.103 6.001 -1.877 225 H GLU 578 HN GLU 578 21.599 9.095 1.025 226 HA GLU 578 HA GLU 578 23.369 10.537 2.727 227 HB2 GLU 578 HB2 GLU 578 20.439 10.933 2.122 228 HB3 GLU 578 HB3 GLU 578 21.405 12.051 3.075 229 HG2 GLU 578 HG2 GLU 578 22.893 12.360 1.126 230 HG3 GLU 578 HG3 GLU 578 21.821 11.329 0.183 231 H SER 579 HN SER 579 20.348 8.766 3.339 232 HA SER 579 HA SER 579 20.599 9.149 6.195 233 HB2 SER 579 HB2 SER 579 18.549 7.755 6.286 234 HB3 SER 579 HB3 SER 579 18.383 9.110 5.165 235 HG SER 579 HG SER 579 18.524 7.754 3.466 236 H GLY 580 HN GLY 580 21.540 6.829 3.834 237 HA2 GLY 580 HA2 GLY 580 22.904 4.965 4.065 238 HA3 GLY 580 HA3 GLY 580 22.892 5.210 5.809 239 H GLU 581 HN GLU 581 19.864 5.200 4.216 240 HA GLU 581 HA GLU 581 19.326 2.487 5.224 241 HB2 GLU 581 HB2 GLU 581 17.492 4.895 5.309 242 HB3 GLU 581 HB3 GLU 581 17.085 3.279 5.871 243 HG2 GLU 581 HG2 GLU 581 18.737 3.406 7.607 244 HG3 GLU 581 HG3 GLU 581 19.323 4.950 6.990 245 H TRP 582 HN TRP 582 18.232 1.142 3.916 246 HA TRP 582 HA TRP 582 17.696 1.829 1.201 247 HB2 TRP 582 HB2 TRP 582 16.940 -0.577 2.873 248 HB3 TRP 582 HB3 TRP 582 16.564 -0.432 1.162 249 HD1 TRP 582 HD1 TRP 582 19.545 -0.876 3.532 250 HE1 TRP 582 HE1 TRP 582 21.517 -1.844 2.178 251 HE3 TRP 582 HE3 TRP 582 17.514 -0.624 -1.145 252 HZ2 TRP 582 HZ2 TRP 582 22.122 -2.416 -0.522 253 HZ3 TRP 582 HZ3 TRP 582 18.849 -1.398 -3.060 254 HH2 TRP 582 HH2 TRP 582 21.106 -2.275 -2.753 255 H VAL 583 HN VAL 583 15.695 2.241 0.221 256 HA VAL 583 HA VAL 583 13.568 2.899 2.164 257 HB VAL 583 HB VAL 583 12.936 4.805 0.782 258 HG11 VAL 583 HG11 VAL 583 15.890 4.831 1.392 259 HG12 VAL 583 HG12 VAL 583 14.600 5.156 2.550 260 HG13 VAL 583 HG13 VAL 583 14.858 6.245 1.186 261 HG21 VAL 583 HG21 VAL 583 13.656 3.831 -1.386 262 HG22 VAL 583 HG22 VAL 583 15.331 4.171 -0.935 263 HG23 VAL 583 HG23 VAL 583 14.187 5.502 -1.148 264 H TRP 584 HN TRP 584 11.640 2.055 1.868 265 HA TRP 584 HA TRP 584 10.759 1.346 -0.855 266 HB2 TRP 584 HB2 TRP 584 9.924 0.347 1.861 267 HB3 TRP 584 HB3 TRP 584 8.823 0.224 0.495 268 HD1 TRP 584 HD1 TRP 584 11.864 -0.353 -1.193 269 HE1 TRP 584 HE1 TRP 584 12.497 -2.828 -1.333 270 HE3 TRP 584 HE3 TRP 584 8.763 -2.154 2.445 271 HZ2 TRP 584 HZ2 TRP 584 11.765 -5.252 -0.073 272 HZ3 TRP 584 HZ3 TRP 584 8.778 -4.570 2.913 273 HH2 TRP 584 HH2 TRP 584 10.248 -6.087 1.679 274 H LYS 585 HN LYS 585 9.799 3.093 -1.729 275 HA LYS 585 HA LYS 585 8.554 5.078 -0.032 276 HB2 LYS 585 HB2 LYS 585 8.652 5.103 -3.050 277 HB3 LYS 585 HB3 LYS 585 8.442 6.464 -1.958 278 HG2 LYS 585 HG2 LYS 585 10.946 4.826 -1.985 279 HG3 LYS 585 HG3 LYS 585 10.706 6.209 -3.052 280 HD2 LYS 585 HD2 LYS 585 10.445 6.351 -0.051 281 HD3 LYS 585 HD3 LYS 585 11.948 6.689 -0.911 282 HE2 LYS 585 HE2 LYS 585 10.744 8.448 -2.203 283 HE3 LYS 585 HE3 LYS 585 9.322 8.148 -1.204 284 HZ1 LYS 585 HZ1 LYS 585 10.675 10.061 -0.465 285 HZ2 LYS 585 HZ2 LYS 585 11.962 9.000 -0.139 286 HZ3 LYS 585 HZ3 LYS 585 10.512 8.865 0.724 287 H ASN 586 HN ASN 586 6.399 5.784 -0.225 288 HA ASN 586 HA ASN 586 4.191 5.316 0.054 289 HB2 ASN 586 HB2 ASN 586 4.400 4.163 -2.741 290 HB3 ASN 586 HB3 ASN 586 2.943 4.711 -1.942 291 HD21 ASN 586 HD21 ASN 586 4.255 5.550 -4.439 292 HD22 ASN 586 HD22 ASN 586 4.452 7.265 -4.301 293 H THR 587 HN THR 587 5.786 3.426 1.217 294 HA THR 587 HA THR 587 4.247 0.955 0.786 295 HB THR 587 HB THR 587 7.085 1.200 1.812 296 HG1 THR 587 HG1 THR 587 6.470 1.510 -0.583 297 HG21 THR 587 HG21 THR 587 7.142 -1.245 1.611 298 HG22 THR 587 HG22 THR 587 5.446 -1.246 1.119 299 HG23 THR 587 HG23 THR 587 5.893 -0.732 2.748 300 H ILE 588 HN ILE 588 3.400 -0.033 2.591 301 HA ILE 588 HA ILE 588 3.878 1.231 5.191 302 HB ILE 588 HB ILE 588 1.822 2.233 4.232 303 HG12 ILE 588 HG12 ILE 588 1.285 0.381 6.570 304 HG13 ILE 588 HG13 ILE 588 2.084 1.947 6.682 305 HG21 ILE 588 HG21 ILE 588 1.067 0.420 2.836 306 HG22 ILE 588 HG22 ILE 588 -0.198 0.817 4.000 307 HG23 ILE 588 HG23 ILE 588 0.815 -0.606 4.245 308 HD11 ILE 588 HD11 ILE 588 0.048 3.049 5.950 309 HD12 ILE 588 HD12 ILE 588 -0.256 2.040 7.366 310 HD13 ILE 588 HD13 ILE 588 -0.748 1.485 5.766 311 H GLU 589 HN GLU 589 3.686 -0.148 6.939 312 HA GLU 589 HA GLU 589 3.343 -2.978 6.281 313 HB2 GLU 589 HB2 GLU 589 5.477 -2.465 7.319 314 HB3 GLU 589 HB3 GLU 589 4.674 -1.627 8.638 315 HG2 GLU 589 HG2 GLU 589 4.044 -4.504 8.179 316 HG3 GLU 589 HG3 GLU 589 5.591 -4.069 8.911 317 H VAL 590 HN VAL 590 1.521 -3.909 6.809 318 HA VAL 590 HA VAL 590 -0.085 -2.790 9.011 319 HB VAL 590 HB VAL 590 -1.164 -3.922 6.418 320 HG11 VAL 590 HG11 VAL 590 -2.615 -2.702 8.767 321 HG12 VAL 590 HG12 VAL 590 -2.603 -4.412 8.330 322 HG13 VAL 590 HG13 VAL 590 -3.353 -3.231 7.254 323 HG21 VAL 590 HG21 VAL 590 -1.186 -1.083 7.433 324 HG22 VAL 590 HG22 VAL 590 -1.939 -1.662 5.947 325 HG23 VAL 590 HG23 VAL 590 -0.184 -1.704 6.119 326 H ASN 591 HN ASN 591 -0.235 -4.216 10.575 327 HA ASN 591 HA ASN 591 -0.427 -6.145 11.749 328 HB2 ASN 591 HB2 ASN 591 -2.506 -6.261 10.321 329 HB3 ASN 591 HB3 ASN 591 -1.623 -7.320 9.232 330 HD21 ASN 591 HD21 ASN 591 -1.322 -7.345 12.746 331 HD22 ASN 591 HD22 ASN 591 -2.041 -8.905 12.957 332 H GLY 592 HN GLY 592 2.023 -5.628 10.402 333 HA2 GLY 592 HA2 GLY 592 4.022 -6.808 10.559 334 HA3 GLY 592 HA3 GLY 592 3.114 -8.306 10.642 335 H LYS 593 HN LYS 593 1.997 -6.466 8.068 336 HA LYS 593 HA LYS 593 3.806 -7.901 6.246 337 HB2 LYS 593 HB2 LYS 593 0.873 -7.332 5.823 338 HB3 LYS 593 HB3 LYS 593 1.934 -8.122 4.667 339 HG2 LYS 593 HG2 LYS 593 1.125 -9.175 7.371 340 HG3 LYS 593 HG3 LYS 593 0.564 -9.755 5.803 341 HD2 LYS 593 HD2 LYS 593 3.399 -9.878 6.842 342 HD3 LYS 593 HD3 LYS 593 2.277 -11.232 6.714 343 HE2 LYS 593 HE2 LYS 593 2.240 -11.017 4.300 344 HE3 LYS 593 HE3 LYS 593 3.273 -9.588 4.393 345 HZ1 LYS 593 HZ1 LYS 593 4.009 -12.357 5.177 346 HZ2 LYS 593 HZ2 LYS 593 5.000 -10.996 5.399 347 HZ3 LYS 593 HZ3 LYS 593 4.595 -11.499 3.831 348 H TYR 594 HN TYR 594 4.611 -6.860 4.510 349 HA TYR 594 HA TYR 594 4.281 -3.962 4.486 350 HB2 TYR 594 HB2 TYR 594 6.283 -5.767 3.119 351 HB3 TYR 594 HB3 TYR 594 6.240 -4.017 2.936 352 HD1 TYR 594 HD1 TYR 594 6.576 -2.577 5.009 353 HD2 TYR 594 HD2 TYR 594 7.390 -6.756 4.930 354 HE1 TYR 594 HE1 TYR 594 7.993 -2.339 7.006 355 HE2 TYR 594 HE2 TYR 594 8.800 -6.524 6.922 356 HH TYR 594 HH TYR 594 8.801 -3.752 8.860 357 H PHE 595 HN PHE 595 3.039 -2.982 3.079 358 HA PHE 595 HA PHE 595 2.688 -4.135 0.397 359 HB2 PHE 595 HB2 PHE 595 0.411 -2.927 1.991 360 HB3 PHE 595 HB3 PHE 595 0.311 -3.604 0.377 361 HD1 PHE 595 HD1 PHE 595 1.180 -6.161 0.284 362 HD2 PHE 595 HD2 PHE 595 -0.417 -4.174 3.690 363 HE1 PHE 595 HE1 PHE 595 0.531 -8.332 1.241 364 HE2 PHE 595 HE2 PHE 595 -1.066 -6.341 4.655 365 HZ PHE 595 HZ PHE 595 -0.596 -8.425 3.431 366 H HIS 596 HN HIS 596 1.982 -2.475 -1.195 367 HA HIS 596 HA HIS 596 3.081 0.093 -0.857 368 HB2 HIS 596 HB2 HIS 596 0.951 -0.954 -2.719 369 HB3 HIS 596 HB3 HIS 596 1.457 0.730 -2.741 370 HD2 HIS 596 HD2 HIS 596 4.715 0.106 -2.504 371 HE1 HIS 596 HE1 HIS 596 3.996 -1.825 -6.204 372 HE2 HIS 596 HE2 HIS 596 5.726 -0.651 -4.766 373 H SER 597 HN SER 597 2.360 1.832 0.179 374 HA SER 597 HA SER 597 0.109 1.734 1.874 375 HB2 SER 597 HB2 SER 597 2.088 3.165 2.308 376 HB3 SER 597 HB3 SER 597 1.655 4.160 0.919 377 HG SER 597 HG SER 597 0.331 3.882 3.394 378 H THR 598 HN THR 598 0.641 2.895 -1.360 379 HA THR 598 HA THR 598 -1.722 4.302 -1.787 380 HB THR 598 HB THR 598 -0.305 2.605 -3.845 381 HG1 THR 598 HG1 THR 598 0.522 5.169 -3.815 382 HG21 THR 598 HG21 THR 598 -2.401 3.629 -4.580 383 HG22 THR 598 HG22 THR 598 -1.023 4.392 -5.373 384 HG23 THR 598 HG23 THR 598 -1.830 5.207 -4.035 385 H CYS 599 HN CYS 599 -0.970 0.882 -1.902 386 HA CYS 599 HA CYS 599 -3.384 0.050 -3.170 387 HB2 CYS 599 HB2 CYS 599 -1.309 -1.551 -1.678 388 HB3 CYS 599 HB3 CYS 599 -2.604 -2.223 -2.665 389 H TYR 600 HN TYR 600 -2.455 0.542 0.146 390 HA TYR 600 HA TYR 600 -4.101 -1.321 1.400 391 HB2 TYR 600 HB2 TYR 600 -2.384 -0.060 2.600 392 HB3 TYR 600 HB3 TYR 600 -3.290 1.432 2.364 393 HD1 TYR 600 HD1 TYR 600 -4.597 2.176 4.106 394 HD2 TYR 600 HD2 TYR 600 -3.777 -1.986 3.815 395 HE1 TYR 600 HE1 TYR 600 -5.797 1.804 6.219 396 HE2 TYR 600 HE2 TYR 600 -4.969 -2.378 5.935 397 HH TYR 600 HH TYR 600 -6.891 0.064 7.432 398 H HIS 601 HN HIS 601 -4.858 1.858 0.116 399 HA HIS 601 HA HIS 601 -7.450 2.011 1.296 400 HB2 HIS 601 HB2 HIS 601 -6.290 3.541 -1.041 401 HB3 HIS 601 HB3 HIS 601 -7.776 3.949 -0.184 402 HD2 HIS 601 HD2 HIS 601 -3.938 3.662 0.675 403 HE1 HIS 601 HE1 HIS 601 -5.775 6.517 3.197 404 HE2 HIS 601 HE2 HIS 601 -3.626 5.275 2.682 405 H GLU 602 HN GLU 602 -6.214 0.923 -1.853 406 HA GLU 602 HA GLU 602 -8.792 0.698 -3.036 407 HB2 GLU 602 HB2 GLU 602 -7.699 -0.421 -4.879 408 HB3 GLU 602 HB3 GLU 602 -6.740 0.961 -4.379 409 HG2 GLU 602 HG2 GLU 602 -5.302 -0.664 -3.084 410 HG3 GLU 602 HG3 GLU 602 -6.176 -1.958 -3.897 411 H THR 603 HN THR 603 -6.758 -1.487 -1.192 412 HA THR 603 HA THR 603 -8.344 -3.794 -1.910 413 HB THR 603 HB THR 603 -5.891 -3.959 -1.459 414 HG1 THR 603 HG1 THR 603 -7.799 -5.532 -0.080 415 HG21 THR 603 HG21 THR 603 -5.784 -2.459 0.488 416 HG22 THR 603 HG22 THR 603 -5.113 -4.049 0.853 417 HG23 THR 603 HG23 THR 603 -6.723 -3.615 1.427 Start of MODEL 14 1 H GLY 548 HN GLY 548 3.385 9.777 1.087 2 HA2 GLY 548 HA2 GLY 548 5.420 9.905 -0.015 3 HA3 GLY 548 HA3 GLY 548 5.733 11.439 0.791 4 H LYS 549 HN LYS 549 4.784 9.034 2.936 5 HA LYS 549 HA LYS 549 7.329 8.906 4.205 6 HB2 LYS 549 HB2 LYS 549 4.847 7.227 4.634 7 HB3 LYS 549 HB3 LYS 549 6.250 7.254 5.694 8 HG2 LYS 549 HG2 LYS 549 4.530 9.648 5.096 9 HG3 LYS 549 HG3 LYS 549 4.362 8.614 6.513 10 HD2 LYS 549 HD2 LYS 549 6.863 10.137 5.786 11 HD3 LYS 549 HD3 LYS 549 5.656 10.691 6.948 12 HE2 LYS 549 HE2 LYS 549 6.068 8.643 8.277 13 HE3 LYS 549 HE3 LYS 549 7.332 8.189 7.136 14 HZ1 LYS 549 HZ1 LYS 549 7.308 10.633 8.825 15 HZ2 LYS 549 HZ2 LYS 549 8.525 10.221 7.724 16 HZ3 LYS 549 HZ3 LYS 549 8.260 9.255 9.091 17 H TYR 550 HN TYR 550 8.802 7.242 4.246 18 HA TYR 550 HA TYR 550 8.288 4.968 2.462 19 HB2 TYR 550 HB2 TYR 550 10.487 5.016 1.594 20 HB3 TYR 550 HB3 TYR 550 9.936 6.684 1.537 21 HD1 TYR 550 HD1 TYR 550 12.333 4.356 2.967 22 HD2 TYR 550 HD2 TYR 550 10.872 8.357 3.131 23 HE1 TYR 550 HE1 TYR 550 14.362 5.035 4.177 24 HE2 TYR 550 HE2 TYR 550 12.899 9.050 4.341 25 HH TYR 550 HH TYR 550 15.671 7.151 4.537 26 H VAL 551 HN VAL 551 9.506 3.054 3.026 27 HA VAL 551 HA VAL 551 10.209 2.967 5.894 28 HB VAL 551 HB VAL 551 9.106 0.708 4.194 29 HG11 VAL 551 HG11 VAL 551 10.562 -0.116 5.947 30 HG12 VAL 551 HG12 VAL 551 8.881 -0.478 6.347 31 HG13 VAL 551 HG13 VAL 551 9.710 0.858 7.145 32 HG21 VAL 551 HG21 VAL 551 7.748 2.340 6.336 33 HG22 VAL 551 HG22 VAL 551 7.067 0.919 5.539 34 HG23 VAL 551 HG23 VAL 551 7.394 2.384 4.611 35 H VAL 552 HN VAL 552 12.209 2.211 6.359 36 HA VAL 552 HA VAL 552 14.134 1.921 4.314 37 HB VAL 552 HB VAL 552 14.325 1.070 7.213 38 HG11 VAL 552 HG11 VAL 552 16.751 1.330 6.893 39 HG12 VAL 552 HG12 VAL 552 16.473 1.634 5.180 40 HG13 VAL 552 HG13 VAL 552 16.075 0.060 5.870 41 HG21 VAL 552 HG21 VAL 552 15.151 3.663 5.923 42 HG22 VAL 552 HG22 VAL 552 15.375 3.211 7.612 43 HG23 VAL 552 HG23 VAL 552 13.749 3.440 6.972 44 H VAL 553 HN VAL 553 14.841 0.154 3.256 45 HA VAL 553 HA VAL 553 13.202 -2.112 3.114 46 HB VAL 553 HB VAL 553 16.064 -1.832 2.175 47 HG11 VAL 553 HG11 VAL 553 15.375 -4.162 2.283 48 HG12 VAL 553 HG12 VAL 553 15.510 -3.629 0.607 49 HG13 VAL 553 HG13 VAL 553 13.922 -3.787 1.358 50 HG21 VAL 553 HG21 VAL 553 13.465 -1.362 0.720 51 HG22 VAL 553 HG22 VAL 553 15.072 -1.294 -0.002 52 HG23 VAL 553 HG23 VAL 553 14.607 -0.118 1.230 53 HA PRO 554 HA PRO 554 14.418 -4.227 6.798 54 HB2 PRO 554 HB2 PRO 554 13.218 -6.538 5.380 55 HB3 PRO 554 HB3 PRO 554 12.833 -5.866 6.969 56 HG2 PRO 554 HG2 PRO 554 11.214 -5.497 4.865 57 HG3 PRO 554 HG3 PRO 554 11.448 -4.240 6.092 58 HD2 PRO 554 HD2 PRO 554 12.559 -4.418 3.324 59 HD3 PRO 554 HD3 PRO 554 12.045 -2.995 4.250 60 H GLU 555 HN GLU 555 16.203 -5.256 7.371 61 HA GLU 555 HA GLU 555 17.892 -6.393 5.287 62 HB2 GLU 555 HB2 GLU 555 18.487 -5.919 8.208 63 HB3 GLU 555 HB3 GLU 555 19.653 -6.348 6.965 64 HG2 GLU 555 HG2 GLU 555 19.299 -4.245 5.846 65 HG3 GLU 555 HG3 GLU 555 18.035 -3.812 6.996 66 H THR 556 HN THR 556 15.564 -7.480 7.315 67 HA THR 556 HA THR 556 16.786 -10.003 8.028 68 HB THR 556 HB THR 556 14.449 -10.483 8.919 69 HG1 THR 556 HG1 THR 556 13.483 -8.102 9.172 70 HG21 THR 556 HG21 THR 556 16.238 -9.701 10.379 71 HG22 THR 556 HG22 THR 556 14.708 -8.958 10.841 72 HG23 THR 556 HG23 THR 556 15.901 -8.029 9.933 73 H SER 557 HN SER 557 15.041 -8.704 5.408 74 HA SER 557 HA SER 557 13.996 -11.258 4.523 75 HB2 SER 557 HB2 SER 557 14.013 -8.616 3.053 76 HB3 SER 557 HB3 SER 557 12.990 -10.014 2.720 77 HG SER 557 HG SER 557 11.657 -9.294 4.154 78 H GLN 558 HN GLN 558 16.476 -8.923 3.586 79 HA GLN 558 HA GLN 558 18.457 -9.118 2.536 80 HB2 GLN 558 HB2 GLN 558 17.908 -12.044 2.944 81 HB3 GLN 558 HB3 GLN 558 19.355 -11.484 2.117 82 HG2 GLN 558 HG2 GLN 558 20.007 -10.222 4.106 83 HG3 GLN 558 HG3 GLN 558 18.554 -10.775 4.938 84 HE21 GLN 558 HE21 GLN 558 21.668 -11.676 3.686 85 HE22 GLN 558 HE22 GLN 558 21.806 -13.163 4.555 86 H ASP 559 HN ASP 559 15.601 -9.966 1.102 87 HA ASP 559 HA ASP 559 16.886 -10.295 -1.520 88 HB2 ASP 559 HB2 ASP 559 14.720 -11.059 -2.342 89 HB3 ASP 559 HB3 ASP 559 15.207 -11.994 -0.935 90 H MET 560 HN MET 560 15.181 -8.117 0.454 91 HA MET 560 HA MET 560 14.718 -5.916 0.283 92 HB2 MET 560 HB2 MET 560 16.485 -6.160 -2.142 93 HB3 MET 560 HB3 MET 560 15.776 -4.632 -1.646 94 HG2 MET 560 HG2 MET 560 17.987 -4.714 -0.811 95 HG3 MET 560 HG3 MET 560 16.900 -4.901 0.557 96 HE1 MET 560 HE1 MET 560 18.912 -5.740 2.065 97 HE2 MET 560 HE2 MET 560 20.009 -5.530 0.700 98 HE3 MET 560 HE3 MET 560 19.998 -7.047 1.602 99 H ALA 561 HN ALA 561 13.029 -7.993 -1.092 100 HA ALA 561 HA ALA 561 11.399 -6.076 -2.564 101 HB1 ALA 561 HB1 ALA 561 11.088 -7.558 -4.461 102 HB2 ALA 561 HB2 ALA 561 12.161 -8.756 -3.734 103 HB3 ALA 561 HB3 ALA 561 12.801 -7.195 -4.251 104 H PHE 562 HN PHE 562 9.187 -6.592 -2.632 105 HA PHE 562 HA PHE 562 8.373 -9.185 -1.570 106 HB2 PHE 562 HB2 PHE 562 6.786 -8.334 -0.012 107 HB3 PHE 562 HB3 PHE 562 8.306 -7.531 0.341 108 HD1 PHE 562 HD1 PHE 562 4.904 -7.112 -0.956 109 HD2 PHE 562 HD2 PHE 562 8.569 -5.167 0.001 110 HE1 PHE 562 HE1 PHE 562 3.794 -4.921 -1.148 111 HE2 PHE 562 HE2 PHE 562 7.463 -2.981 -0.177 112 HZ PHE 562 HZ PHE 562 4.999 -2.881 -0.614 113 H LYS 563 HN LYS 563 6.260 -9.812 -2.248 114 HA LYS 563 HA LYS 563 5.596 -8.639 -4.823 115 HB2 LYS 563 HB2 LYS 563 5.816 -11.123 -4.489 116 HB3 LYS 563 HB3 LYS 563 4.404 -11.055 -3.443 117 HG2 LYS 563 HG2 LYS 563 3.551 -11.759 -5.479 118 HG3 LYS 563 HG3 LYS 563 3.207 -10.028 -5.463 119 HD2 LYS 563 HD2 LYS 563 4.096 -10.827 -7.633 120 HD3 LYS 563 HD3 LYS 563 5.095 -9.579 -6.884 121 HE2 LYS 563 HE2 LYS 563 6.438 -11.409 -7.846 122 HE3 LYS 563 HE3 LYS 563 6.662 -11.259 -6.105 123 HZ1 LYS 563 HZ1 LYS 563 6.440 -13.566 -6.782 124 HZ2 LYS 563 HZ2 LYS 563 4.915 -13.254 -7.461 125 HZ3 LYS 563 HZ3 LYS 563 5.145 -13.120 -5.787 126 H CYS 564 HN CYS 564 4.102 -7.068 -4.938 127 HA CYS 564 HA CYS 564 2.408 -6.402 -2.746 128 HB2 CYS 564 HB2 CYS 564 3.166 -4.714 -4.348 129 HB3 CYS 564 HB3 CYS 564 2.342 -5.550 -5.655 130 HA PRO 565 HA PRO 565 -0.443 -9.700 -3.734 131 HB2 PRO 565 HB2 PRO 565 -1.939 -8.736 -1.401 132 HB3 PRO 565 HB3 PRO 565 -1.147 -10.291 -1.652 133 HG2 PRO 565 HG2 PRO 565 -0.171 -8.500 0.076 134 HG3 PRO 565 HG3 PRO 565 0.898 -9.525 -0.893 135 HD2 PRO 565 HD2 PRO 565 0.099 -6.667 -1.352 136 HD3 PRO 565 HD3 PRO 565 1.713 -7.412 -1.447 137 H ILE 566 HN ILE 566 -1.221 -6.331 -3.534 138 HA ILE 566 HA ILE 566 -4.038 -6.794 -4.041 139 HB ILE 566 HB ILE 566 -2.574 -4.167 -3.774 140 HG12 ILE 566 HG12 ILE 566 -4.042 -5.851 -1.725 141 HG13 ILE 566 HG13 ILE 566 -2.322 -5.483 -1.733 142 HG21 ILE 566 HG21 ILE 566 -5.501 -4.877 -3.681 143 HG22 ILE 566 HG22 ILE 566 -4.680 -3.903 -4.902 144 HG23 ILE 566 HG23 ILE 566 -4.840 -3.300 -3.250 145 HD11 ILE 566 HD11 ILE 566 -4.538 -3.486 -1.357 146 HD12 ILE 566 HD12 ILE 566 -2.808 -3.146 -1.322 147 HD13 ILE 566 HD13 ILE 566 -3.531 -4.169 -0.080 148 H CYS 567 HN CYS 567 -1.232 -5.484 -5.796 149 HA CYS 567 HA CYS 567 -2.891 -5.671 -8.206 150 HB2 CYS 567 HB2 CYS 567 -1.801 -3.707 -9.192 151 HB3 CYS 567 HB3 CYS 567 -2.678 -3.309 -7.718 152 H LYS 568 HN LYS 568 -0.229 -6.805 -6.645 153 HA LYS 568 HA LYS 568 0.985 -8.600 -7.206 154 HB2 LYS 568 HB2 LYS 568 -0.469 -8.441 -9.842 155 HB3 LYS 568 HB3 LYS 568 0.495 -9.810 -9.287 156 HG2 LYS 568 HG2 LYS 568 -1.003 -10.162 -7.425 157 HG3 LYS 568 HG3 LYS 568 -1.920 -8.717 -7.845 158 HD2 LYS 568 HD2 LYS 568 -3.125 -10.660 -8.583 159 HD3 LYS 568 HD3 LYS 568 -2.522 -9.791 -9.993 160 HE2 LYS 568 HE2 LYS 568 -0.818 -11.373 -10.367 161 HE3 LYS 568 HE3 LYS 568 -1.042 -12.098 -8.774 162 HZ1 LYS 568 HZ1 LYS 568 -3.100 -13.018 -9.436 163 HZ2 LYS 568 HZ2 LYS 568 -1.995 -13.384 -10.672 164 HZ3 LYS 568 HZ3 LYS 568 -3.128 -12.137 -10.886 165 H GLU 569 HN GLU 569 2.073 -5.887 -7.727 166 HA GLU 569 HA GLU 569 4.073 -6.592 -9.759 167 HB2 GLU 569 HB2 GLU 569 4.619 -4.175 -8.194 168 HB3 GLU 569 HB3 GLU 569 4.605 -4.398 -9.933 169 HG2 GLU 569 HG2 GLU 569 2.735 -3.234 -10.051 170 HG3 GLU 569 HG3 GLU 569 1.914 -4.428 -9.044 171 H THR 570 HN THR 570 6.272 -6.898 -9.189 172 HA THR 570 HA THR 570 6.746 -7.642 -6.430 173 HB THR 570 HB THR 570 8.689 -7.563 -8.761 174 HG1 THR 570 HG1 THR 570 7.370 -9.165 -9.337 175 HG21 THR 570 HG21 THR 570 9.808 -7.531 -6.585 176 HG22 THR 570 HG22 THR 570 10.043 -9.086 -7.383 177 HG23 THR 570 HG23 THR 570 8.873 -8.934 -6.072 178 H VAL 571 HN VAL 571 7.348 -6.191 -4.955 179 HA VAL 571 HA VAL 571 8.020 -3.511 -5.819 180 HB VAL 571 HB VAL 571 7.735 -4.567 -3.003 181 HG11 VAL 571 HG11 VAL 571 7.562 -1.755 -4.087 182 HG12 VAL 571 HG12 VAL 571 8.927 -2.428 -3.199 183 HG13 VAL 571 HG13 VAL 571 7.366 -2.239 -2.402 184 HG21 VAL 571 HG21 VAL 571 5.657 -3.311 -4.802 185 HG22 VAL 571 HG22 VAL 571 5.433 -3.713 -3.099 186 HG23 VAL 571 HG23 VAL 571 5.701 -4.995 -4.281 187 H THR 572 HN THR 572 10.028 -2.955 -6.193 188 HA THR 572 HA THR 572 12.193 -4.200 -4.650 189 HB THR 572 HB THR 572 13.672 -3.211 -6.452 190 HG1 THR 572 HG1 THR 572 11.962 -1.720 -7.196 191 HG21 THR 572 HG21 THR 572 13.043 -5.582 -6.432 192 HG22 THR 572 HG22 THR 572 13.167 -4.962 -8.080 193 HG23 THR 572 HG23 THR 572 11.581 -5.201 -7.344 194 H GLY 573 HN GLY 573 13.984 -2.730 -3.993 195 HA2 GLY 573 HA2 GLY 573 12.993 0.006 -3.544 196 HA3 GLY 573 HA3 GLY 573 13.671 -0.937 -2.223 197 H VAL 574 HN VAL 574 14.656 1.568 -3.057 198 HA VAL 574 HA VAL 574 17.188 0.846 -4.388 199 HB VAL 574 HB VAL 574 15.804 3.535 -4.486 200 HG11 VAL 574 HG11 VAL 574 18.225 3.686 -4.701 201 HG12 VAL 574 HG12 VAL 574 17.436 4.076 -6.229 202 HG13 VAL 574 HG13 VAL 574 18.196 2.499 -6.005 203 HG21 VAL 574 HG21 VAL 574 14.518 1.868 -5.711 204 HG22 VAL 574 HG22 VAL 574 15.959 1.414 -6.621 205 HG23 VAL 574 HG23 VAL 574 15.267 3.026 -6.812 206 H TYR 575 HN TYR 575 19.071 1.814 -3.580 207 HA TYR 575 HA TYR 575 18.944 2.574 -0.791 208 HB2 TYR 575 HB2 TYR 575 20.693 1.030 -1.547 209 HB3 TYR 575 HB3 TYR 575 21.287 2.238 -2.680 210 HD1 TYR 575 HD1 TYR 575 20.463 2.119 0.970 211 HD2 TYR 575 HD2 TYR 575 23.239 3.259 -2.044 212 HE1 TYR 575 HE1 TYR 575 21.979 2.982 2.703 213 HE2 TYR 575 HE2 TYR 575 24.768 4.127 -0.322 214 HH TYR 575 HH TYR 575 24.323 3.490 3.020 215 H ASP 576 HN ASP 576 18.685 4.626 -0.197 216 HA ASP 576 HA ASP 576 19.415 6.751 -2.069 217 HB2 ASP 576 HB2 ASP 576 17.189 6.963 -1.129 218 HB3 ASP 576 HB3 ASP 576 17.836 6.856 0.507 219 H GLU 577 HN GLU 577 21.336 7.556 -1.929 220 HA GLU 577 HA GLU 577 23.087 6.949 0.214 221 HB2 GLU 577 HB2 GLU 577 23.457 8.824 -2.125 222 HB3 GLU 577 HB3 GLU 577 24.736 8.252 -1.058 223 HG2 GLU 577 HG2 GLU 577 24.299 5.958 -1.746 224 HG3 GLU 577 HG3 GLU 577 23.018 6.518 -2.817 225 H GLU 578 HN GLU 578 20.966 9.612 -0.390 226 HA GLU 578 HA GLU 578 22.421 11.501 1.207 227 HB2 GLU 578 HB2 GLU 578 20.878 12.216 -0.581 228 HB3 GLU 578 HB3 GLU 578 19.526 11.570 0.338 229 HG2 GLU 578 HG2 GLU 578 19.844 14.044 0.485 230 HG3 GLU 578 HG3 GLU 578 19.775 13.202 2.031 231 H SER 579 HN SER 579 19.493 9.514 1.771 232 HA SER 579 HA SER 579 19.507 10.203 4.575 233 HB2 SER 579 HB2 SER 579 17.637 8.576 4.739 234 HB3 SER 579 HB3 SER 579 17.375 9.786 3.484 235 HG SER 579 HG SER 579 17.758 8.303 1.933 236 H GLY 580 HN GLY 580 20.910 7.801 2.564 237 HA2 GLY 580 HA2 GLY 580 22.673 6.403 3.108 238 HA3 GLY 580 HA3 GLY 580 22.480 6.861 4.793 239 H GLU 581 HN GLU 581 19.692 5.790 3.103 240 HA GLU 581 HA GLU 581 19.925 3.093 4.230 241 HB2 GLU 581 HB2 GLU 581 17.652 5.023 4.711 242 HB3 GLU 581 HB3 GLU 581 17.544 3.300 5.030 243 HG2 GLU 581 HG2 GLU 581 19.573 5.113 6.296 244 HG3 GLU 581 HG3 GLU 581 18.016 4.716 7.017 245 H TRP 582 HN TRP 582 18.397 1.584 3.349 246 HA TRP 582 HA TRP 582 17.776 2.025 0.570 247 HB2 TRP 582 HB2 TRP 582 17.213 -0.279 2.446 248 HB3 TRP 582 HB3 TRP 582 16.811 -0.287 0.735 249 HD1 TRP 582 HD1 TRP 582 19.871 -0.297 3.067 250 HE1 TRP 582 HE1 TRP 582 21.878 -1.246 1.756 251 HE3 TRP 582 HE3 TRP 582 17.702 -0.672 -1.532 252 HZ2 TRP 582 HZ2 TRP 582 22.454 -2.052 -0.895 253 HZ3 TRP 582 HZ3 TRP 582 19.037 -1.538 -3.410 254 HH2 TRP 582 HH2 TRP 582 21.367 -2.216 -3.098 255 H VAL 583 HN VAL 583 15.714 2.349 -0.306 256 HA VAL 583 HA VAL 583 13.699 3.064 1.724 257 HB VAL 583 HB VAL 583 12.933 4.854 0.272 258 HG11 VAL 583 HG11 VAL 583 14.890 6.323 0.383 259 HG12 VAL 583 HG12 VAL 583 15.929 4.920 0.632 260 HG13 VAL 583 HG13 VAL 583 14.731 5.355 1.853 261 HG21 VAL 583 HG21 VAL 583 14.099 5.442 -1.790 262 HG22 VAL 583 HG22 VAL 583 13.431 3.811 -1.898 263 HG23 VAL 583 HG23 VAL 583 15.155 4.039 -1.604 264 H TRP 584 HN TRP 584 11.815 2.065 1.669 265 HA TRP 584 HA TRP 584 10.687 1.323 -0.953 266 HB2 TRP 584 HB2 TRP 584 10.092 0.358 1.852 267 HB3 TRP 584 HB3 TRP 584 8.928 0.151 0.550 268 HD1 TRP 584 HD1 TRP 584 11.932 -0.399 -1.236 269 HE1 TRP 584 HE1 TRP 584 12.608 -2.869 -1.330 270 HE3 TRP 584 HE3 TRP 584 9.018 -2.154 2.565 271 HZ2 TRP 584 HZ2 TRP 584 12.002 -5.256 0.038 272 HZ3 TRP 584 HZ3 TRP 584 9.115 -4.555 3.114 273 HH2 TRP 584 HH2 TRP 584 10.573 -6.073 1.874 274 H LYS 585 HN LYS 585 9.645 3.162 -1.675 275 HA LYS 585 HA LYS 585 8.274 4.806 0.320 276 HB2 LYS 585 HB2 LYS 585 8.340 6.631 -1.179 277 HB3 LYS 585 HB3 LYS 585 9.926 5.888 -1.225 278 HG2 LYS 585 HG2 LYS 585 7.839 5.262 -3.278 279 HG3 LYS 585 HG3 LYS 585 8.896 6.664 -3.417 280 HD2 LYS 585 HD2 LYS 585 10.607 4.556 -2.847 281 HD3 LYS 585 HD3 LYS 585 9.429 3.880 -3.974 282 HE2 LYS 585 HE2 LYS 585 11.121 6.342 -4.373 283 HE3 LYS 585 HE3 LYS 585 11.268 4.801 -5.217 284 HZ1 LYS 585 HZ1 LYS 585 9.066 5.175 -6.174 285 HZ2 LYS 585 HZ2 LYS 585 10.140 6.419 -6.586 286 HZ3 LYS 585 HZ3 LYS 585 8.960 6.675 -5.390 287 H ASN 586 HN ASN 586 6.166 5.713 -0.189 288 HA ASN 586 HA ASN 586 3.935 5.251 -0.314 289 HB2 ASN 586 HB2 ASN 586 4.511 3.825 -2.917 290 HB3 ASN 586 HB3 ASN 586 3.017 4.579 -2.408 291 HD21 ASN 586 HD21 ASN 586 4.599 5.010 -4.796 292 HD22 ASN 586 HD22 ASN 586 4.982 6.693 -4.817 293 H THR 587 HN THR 587 5.354 3.597 1.243 294 HA THR 587 HA THR 587 4.078 0.974 0.845 295 HB THR 587 HB THR 587 6.942 1.363 1.756 296 HG1 THR 587 HG1 THR 587 6.368 1.705 -0.581 297 HG21 THR 587 HG21 THR 587 7.097 -1.083 1.524 298 HG22 THR 587 HG22 THR 587 5.380 -1.151 1.126 299 HG23 THR 587 HG23 THR 587 5.892 -0.624 2.729 300 H ILE 588 HN ILE 588 3.364 -0.022 2.698 301 HA ILE 588 HA ILE 588 3.949 1.230 5.279 302 HB ILE 588 HB ILE 588 1.912 2.339 4.445 303 HG12 ILE 588 HG12 ILE 588 1.352 0.407 6.709 304 HG13 ILE 588 HG13 ILE 588 2.159 1.961 6.865 305 HG21 ILE 588 HG21 ILE 588 0.743 -0.435 4.362 306 HG22 ILE 588 HG22 ILE 588 1.072 0.607 2.977 307 HG23 ILE 588 HG23 ILE 588 -0.166 1.061 4.150 308 HD11 ILE 588 HD11 ILE 588 -0.146 2.112 7.587 309 HD12 ILE 588 HD12 ILE 588 -0.698 1.527 6.017 310 HD13 ILE 588 HD13 ILE 588 0.109 3.092 6.142 311 H GLU 589 HN GLU 589 3.640 -0.179 7.058 312 HA GLU 589 HA GLU 589 3.443 -3.007 6.318 313 HB2 GLU 589 HB2 GLU 589 5.402 -2.252 7.675 314 HB3 GLU 589 HB3 GLU 589 4.294 -1.794 8.961 315 HG2 GLU 589 HG2 GLU 589 3.509 -4.197 8.962 316 HG3 GLU 589 HG3 GLU 589 4.894 -4.556 7.933 317 H VAL 590 HN VAL 590 1.617 -4.077 6.672 318 HA VAL 590 HA VAL 590 -0.234 -3.068 8.737 319 HB VAL 590 HB VAL 590 -1.064 -4.358 6.130 320 HG11 VAL 590 HG11 VAL 590 -3.314 -3.574 6.783 321 HG12 VAL 590 HG12 VAL 590 -2.648 -3.035 8.325 322 HG13 VAL 590 HG13 VAL 590 -2.639 -4.750 7.913 323 HG21 VAL 590 HG21 VAL 590 -1.840 -2.144 5.433 324 HG22 VAL 590 HG22 VAL 590 -0.094 -2.159 5.698 325 HG23 VAL 590 HG23 VAL 590 -1.162 -1.444 6.906 326 H ASN 591 HN ASN 591 -0.404 -4.481 10.291 327 HA ASN 591 HA ASN 591 -0.516 -6.386 11.492 328 HB2 ASN 591 HB2 ASN 591 -2.504 -6.584 9.816 329 HB3 ASN 591 HB3 ASN 591 -1.532 -7.843 9.064 330 HD21 ASN 591 HD21 ASN 591 -1.172 -9.772 10.176 331 HD22 ASN 591 HD22 ASN 591 -2.127 -10.231 11.545 332 H GLY 592 HN GLY 592 1.976 -5.854 10.336 333 HA2 GLY 592 HA2 GLY 592 3.979 -7.009 10.633 334 HA3 GLY 592 HA3 GLY 592 3.086 -8.519 10.638 335 H LYS 593 HN LYS 593 2.128 -6.773 7.952 336 HA LYS 593 HA LYS 593 4.295 -7.901 6.307 337 HB2 LYS 593 HB2 LYS 593 1.326 -8.069 5.833 338 HB3 LYS 593 HB3 LYS 593 2.488 -8.250 4.525 339 HG2 LYS 593 HG2 LYS 593 3.547 -10.090 5.885 340 HG3 LYS 593 HG3 LYS 593 2.136 -9.996 6.939 341 HD2 LYS 593 HD2 LYS 593 0.661 -10.578 5.163 342 HD3 LYS 593 HD3 LYS 593 1.942 -10.403 3.965 343 HE2 LYS 593 HE2 LYS 593 1.537 -12.744 4.385 344 HE3 LYS 593 HE3 LYS 593 3.131 -12.304 4.995 345 HZ1 LYS 593 HZ1 LYS 593 1.845 -13.735 6.517 346 HZ2 LYS 593 HZ2 LYS 593 0.686 -12.511 6.670 347 HZ3 LYS 593 HZ3 LYS 593 2.275 -12.253 7.217 348 H TYR 594 HN TYR 594 4.917 -6.722 4.512 349 HA TYR 594 HA TYR 594 4.148 -3.922 4.613 350 HB2 TYR 594 HB2 TYR 594 6.365 -5.319 3.095 351 HB3 TYR 594 HB3 TYR 594 6.092 -3.580 3.107 352 HD1 TYR 594 HD1 TYR 594 6.338 -2.317 5.277 353 HD2 TYR 594 HD2 TYR 594 7.533 -6.379 4.852 354 HE1 TYR 594 HE1 TYR 594 7.759 -2.099 7.269 355 HE2 TYR 594 HE2 TYR 594 8.951 -6.172 6.847 356 HH TYR 594 HH TYR 594 10.171 -4.163 8.012 357 H PHE 595 HN PHE 595 3.003 -2.909 3.150 358 HA PHE 595 HA PHE 595 2.418 -4.219 0.570 359 HB2 PHE 595 HB2 PHE 595 0.409 -2.732 2.289 360 HB3 PHE 595 HB3 PHE 595 0.099 -3.440 0.713 361 HD1 PHE 595 HD1 PHE 595 -0.396 -5.752 0.479 362 HD2 PHE 595 HD2 PHE 595 0.757 -4.183 4.258 363 HE1 PHE 595 HE1 PHE 595 -1.063 -7.861 1.559 364 HE2 PHE 595 HE2 PHE 595 0.094 -6.290 5.341 365 HZ PHE 595 HZ PHE 595 -0.980 -8.070 4.002 366 H HIS 596 HN HIS 596 2.012 -2.685 -1.151 367 HA HIS 596 HA HIS 596 3.113 -0.104 -0.960 368 HB2 HIS 596 HB2 HIS 596 1.192 -1.407 -2.867 369 HB3 HIS 596 HB3 HIS 596 1.412 0.335 -2.936 370 HD2 HIS 596 HD2 HIS 596 4.740 0.218 -2.520 371 HE1 HIS 596 HE1 HIS 596 4.496 -1.869 -6.194 372 HE2 HIS 596 HE2 HIS 596 5.970 -0.426 -4.713 373 H SER 597 HN SER 597 2.362 1.683 -0.057 374 HA SER 597 HA SER 597 0.068 1.639 1.594 375 HB2 SER 597 HB2 SER 597 2.111 3.031 2.014 376 HB3 SER 597 HB3 SER 597 1.634 4.058 0.662 377 HG SER 597 HG SER 597 -0.152 3.562 2.789 378 H THR 598 HN THR 598 0.680 2.680 -1.656 379 HA THR 598 HA THR 598 -1.616 4.248 -2.051 380 HB THR 598 HB THR 598 -0.324 2.606 -4.215 381 HG1 THR 598 HG1 THR 598 0.933 4.910 -4.040 382 HG21 THR 598 HG21 THR 598 -1.414 5.426 -4.149 383 HG22 THR 598 HG22 THR 598 -2.252 4.020 -4.810 384 HG23 THR 598 HG23 THR 598 -0.765 4.596 -5.564 385 H CYS 599 HN CYS 599 -0.971 0.805 -2.331 386 HA CYS 599 HA CYS 599 -3.383 0.153 -3.721 387 HB2 CYS 599 HB2 CYS 599 -1.404 -1.610 -2.272 388 HB3 CYS 599 HB3 CYS 599 -2.682 -2.180 -3.343 389 H TYR 600 HN TYR 600 -2.430 0.296 -0.362 390 HA TYR 600 HA TYR 600 -4.180 -1.583 0.720 391 HB2 TYR 600 HB2 TYR 600 -2.307 -0.627 1.963 392 HB3 TYR 600 HB3 TYR 600 -3.101 0.943 1.985 393 HD1 TYR 600 HD1 TYR 600 -4.330 1.528 3.853 394 HD2 TYR 600 HD2 TYR 600 -3.718 -2.601 3.026 395 HE1 TYR 600 HE1 TYR 600 -5.428 0.942 5.974 396 HE2 TYR 600 HE2 TYR 600 -4.825 -3.198 5.140 397 HH TYR 600 HH TYR 600 -5.278 -2.140 7.341 398 H HIS 601 HN HIS 601 -4.712 1.738 -0.188 399 HA HIS 601 HA HIS 601 -7.082 2.234 1.228 400 HB2 HIS 601 HB2 HIS 601 -5.981 3.441 -1.306 401 HB3 HIS 601 HB3 HIS 601 -7.440 4.031 -0.513 402 HD2 HIS 601 HD2 HIS 601 -3.888 3.219 1.024 403 HE1 HIS 601 HE1 HIS 601 -5.111 7.113 2.126 404 HE2 HIS 601 HE2 HIS 601 -3.230 5.426 2.224 405 H GLU 602 HN GLU 602 -6.551 0.444 -1.736 406 HA GLU 602 HA GLU 602 -9.228 0.701 -2.691 407 HB2 GLU 602 HB2 GLU 602 -8.666 -0.796 -4.398 408 HB3 GLU 602 HB3 GLU 602 -7.156 0.020 -4.045 409 HG2 GLU 602 HG2 GLU 602 -6.397 -2.116 -4.184 410 HG3 GLU 602 HG3 GLU 602 -6.796 -2.070 -2.472 411 H THR 603 HN THR 603 -7.626 -1.358 -0.427 412 HA THR 603 HA THR 603 -9.783 -3.296 -0.347 413 HB THR 603 HB THR 603 -7.251 -3.036 1.288 414 HG1 THR 603 HG1 THR 603 -7.745 -4.000 -1.175 415 HG21 THR 603 HG21 THR 603 -9.022 -4.212 2.543 416 HG22 THR 603 HG22 THR 603 -7.679 -5.270 2.117 417 HG23 THR 603 HG23 THR 603 -9.186 -5.349 1.205 Start of MODEL 15 1 H GLY 548 HN GLY 548 3.224 9.391 1.160 2 HA2 GLY 548 HA2 GLY 548 5.155 9.505 -0.231 3 HA3 GLY 548 HA3 GLY 548 5.470 11.119 0.384 4 H LYS 549 HN LYS 549 4.663 8.971 2.858 5 HA LYS 549 HA LYS 549 7.333 8.974 3.873 6 HB2 LYS 549 HB2 LYS 549 4.819 7.598 4.816 7 HB3 LYS 549 HB3 LYS 549 6.363 7.430 5.637 8 HG2 LYS 549 HG2 LYS 549 6.423 9.849 6.002 9 HG3 LYS 549 HG3 LYS 549 4.859 9.998 5.199 10 HD2 LYS 549 HD2 LYS 549 3.770 8.748 6.899 11 HD3 LYS 549 HD3 LYS 549 5.308 8.262 7.616 12 HE2 LYS 549 HE2 LYS 549 4.338 11.109 7.455 13 HE3 LYS 549 HE3 LYS 549 4.107 10.068 8.858 14 HZ1 LYS 549 HZ1 LYS 549 6.499 9.863 9.070 15 HZ2 LYS 549 HZ2 LYS 549 6.045 11.495 9.111 16 HZ3 LYS 549 HZ3 LYS 549 6.736 10.845 7.709 17 H TYR 550 HN TYR 550 8.844 7.454 3.786 18 HA TYR 550 HA TYR 550 8.235 5.001 2.281 19 HB2 TYR 550 HB2 TYR 550 10.480 4.980 1.473 20 HB3 TYR 550 HB3 TYR 550 9.902 6.625 1.262 21 HD1 TYR 550 HD1 TYR 550 12.312 4.473 2.921 22 HD2 TYR 550 HD2 TYR 550 10.723 8.424 2.757 23 HE1 TYR 550 HE1 TYR 550 14.259 5.298 4.180 24 HE2 TYR 550 HE2 TYR 550 12.666 9.255 4.003 25 HH TYR 550 HH TYR 550 15.454 7.377 4.573 26 H VAL 551 HN VAL 551 9.402 3.085 2.934 27 HA VAL 551 HA VAL 551 10.217 3.135 5.774 28 HB VAL 551 HB VAL 551 9.036 0.809 4.226 29 HG11 VAL 551 HG11 VAL 551 10.580 0.037 5.907 30 HG12 VAL 551 HG12 VAL 551 8.932 -0.282 6.450 31 HG13 VAL 551 HG13 VAL 551 9.835 1.077 7.120 32 HG21 VAL 551 HG21 VAL 551 7.353 2.506 4.663 33 HG22 VAL 551 HG22 VAL 551 7.802 2.538 6.368 34 HG23 VAL 551 HG23 VAL 551 7.072 1.090 5.678 35 H VAL 552 HN VAL 552 12.231 2.472 6.188 36 HA VAL 552 HA VAL 552 14.097 2.091 4.113 37 HB VAL 552 HB VAL 552 14.373 1.404 7.050 38 HG11 VAL 552 HG11 VAL 552 16.107 0.355 5.713 39 HG12 VAL 552 HG12 VAL 552 16.781 1.676 6.669 40 HG13 VAL 552 HG13 VAL 552 16.476 1.899 4.946 41 HG21 VAL 552 HG21 VAL 552 15.408 3.609 7.258 42 HG22 VAL 552 HG22 VAL 552 13.731 3.721 6.727 43 HG23 VAL 552 HG23 VAL 552 15.040 3.940 5.565 44 H VAL 553 HN VAL 553 14.897 0.321 3.176 45 HA VAL 553 HA VAL 553 13.416 -2.049 3.127 46 HB VAL 553 HB VAL 553 16.278 -1.610 2.258 47 HG11 VAL 553 HG11 VAL 553 15.945 -3.572 0.818 48 HG12 VAL 553 HG12 VAL 553 14.355 -3.822 1.538 49 HG13 VAL 553 HG13 VAL 553 15.807 -3.985 2.526 50 HG21 VAL 553 HG21 VAL 553 13.698 -1.487 0.705 51 HG22 VAL 553 HG22 VAL 553 15.318 -1.337 0.023 52 HG23 VAL 553 HG23 VAL 553 14.716 -0.116 1.146 53 HA PRO 554 HA PRO 554 14.566 -3.814 7.001 54 HB2 PRO 554 HB2 PRO 554 13.735 -6.322 5.649 55 HB3 PRO 554 HB3 PRO 554 13.169 -5.627 7.171 56 HG2 PRO 554 HG2 PRO 554 11.679 -5.552 4.943 57 HG3 PRO 554 HG3 PRO 554 11.661 -4.232 6.124 58 HD2 PRO 554 HD2 PRO 554 12.944 -4.353 3.437 59 HD3 PRO 554 HD3 PRO 554 12.260 -2.967 4.309 60 H GLU 555 HN GLU 555 16.413 -4.639 7.766 61 HA GLU 555 HA GLU 555 18.427 -5.527 5.900 62 HB2 GLU 555 HB2 GLU 555 18.578 -5.296 8.909 63 HB3 GLU 555 HB3 GLU 555 19.937 -5.468 7.810 64 HG2 GLU 555 HG2 GLU 555 19.307 -3.297 6.788 65 HG3 GLU 555 HG3 GLU 555 18.075 -3.125 8.035 66 H THR 556 HN THR 556 15.982 -6.986 7.558 67 HA THR 556 HA THR 556 17.305 -9.457 8.207 68 HB THR 556 HB THR 556 14.926 -10.218 8.664 69 HG1 THR 556 HG1 THR 556 13.539 -8.167 8.899 70 HG21 THR 556 HG21 THR 556 14.703 -8.841 10.700 71 HG22 THR 556 HG22 THR 556 15.935 -7.745 10.075 72 HG23 THR 556 HG23 THR 556 16.354 -9.415 10.460 73 H SER 557 HN SER 557 16.260 -8.067 5.390 74 HA SER 557 HA SER 557 15.568 -10.646 4.164 75 HB2 SER 557 HB2 SER 557 13.841 -8.879 3.967 76 HB3 SER 557 HB3 SER 557 15.011 -7.848 3.143 77 HG SER 557 HG SER 557 14.176 -8.800 1.431 78 H GLN 558 HN GLN 558 16.681 -11.354 2.396 79 HA GLN 558 HA GLN 558 19.165 -9.936 1.774 80 HB2 GLN 558 HB2 GLN 558 18.306 -12.792 1.292 81 HB3 GLN 558 HB3 GLN 558 19.801 -12.108 0.667 82 HG2 GLN 558 HG2 GLN 558 20.528 -11.640 2.963 83 HG3 GLN 558 HG3 GLN 558 19.042 -12.375 3.562 84 HE21 GLN 558 HE21 GLN 558 20.702 -13.636 0.781 85 HE22 GLN 558 HE22 GLN 558 21.283 -15.078 1.534 86 H ASP 559 HN ASP 559 16.156 -9.912 0.722 87 HA ASP 559 HA ASP 559 16.984 -9.289 -2.023 88 HB2 ASP 559 HB2 ASP 559 15.791 -11.484 -1.992 89 HB3 ASP 559 HB3 ASP 559 14.400 -10.686 -1.264 90 H MET 560 HN MET 560 16.523 -7.235 -2.466 91 HA MET 560 HA MET 560 15.083 -5.657 -0.542 92 HB2 MET 560 HB2 MET 560 16.393 -4.882 -3.156 93 HB3 MET 560 HB3 MET 560 15.699 -3.744 -2.010 94 HG2 MET 560 HG2 MET 560 18.007 -3.711 -1.621 95 HG3 MET 560 HG3 MET 560 17.321 -4.665 -0.310 96 HE1 MET 560 HE1 MET 560 19.339 -4.734 -3.669 97 HE2 MET 560 HE2 MET 560 17.945 -5.746 -4.052 98 HE3 MET 560 HE3 MET 560 19.550 -6.465 -3.930 99 H ALA 561 HN ALA 561 13.390 -7.534 -1.782 100 HA ALA 561 HA ALA 561 11.479 -5.752 -3.064 101 HB1 ALA 561 HB1 ALA 561 12.314 -8.371 -4.311 102 HB2 ALA 561 HB2 ALA 561 12.774 -6.772 -4.895 103 HB3 ALA 561 HB3 ALA 561 11.080 -7.265 -4.917 104 H PHE 562 HN PHE 562 9.377 -6.282 -2.693 105 HA PHE 562 HA PHE 562 8.752 -8.970 -1.689 106 HB2 PHE 562 HB2 PHE 562 7.275 -8.169 0.001 107 HB3 PHE 562 HB3 PHE 562 8.772 -7.279 0.219 108 HD1 PHE 562 HD1 PHE 562 5.242 -7.053 -0.691 109 HD2 PHE 562 HD2 PHE 562 8.896 -4.909 -0.292 110 HE1 PHE 562 HE1 PHE 562 4.008 -4.926 -0.823 111 HE2 PHE 562 HE2 PHE 562 7.670 -2.783 -0.414 112 HZ PHE 562 HZ PHE 562 5.148 -2.827 -0.542 113 H LYS 563 HN LYS 563 6.592 -9.661 -2.328 114 HA LYS 563 HA LYS 563 5.835 -8.274 -4.777 115 HB2 LYS 563 HB2 LYS 563 6.319 -10.703 -4.844 116 HB3 LYS 563 HB3 LYS 563 4.945 -10.979 -3.782 117 HG2 LYS 563 HG2 LYS 563 3.404 -10.481 -5.424 118 HG3 LYS 563 HG3 LYS 563 4.558 -9.530 -6.363 119 HD2 LYS 563 HD2 LYS 563 5.788 -11.589 -6.894 120 HD3 LYS 563 HD3 LYS 563 4.577 -12.525 -6.015 121 HE2 LYS 563 HE2 LYS 563 2.867 -11.852 -7.579 122 HE3 LYS 563 HE3 LYS 563 3.999 -10.772 -8.399 123 HZ1 LYS 563 HZ1 LYS 563 4.208 -13.730 -8.244 124 HZ2 LYS 563 HZ2 LYS 563 5.335 -12.702 -8.991 125 HZ3 LYS 563 HZ3 LYS 563 3.766 -12.833 -9.616 126 H CYS 564 HN CYS 564 4.209 -6.964 -4.847 127 HA CYS 564 HA CYS 564 2.445 -6.601 -2.616 128 HB2 CYS 564 HB2 CYS 564 3.184 -4.659 -3.759 129 HB3 CYS 564 HB3 CYS 564 2.748 -5.322 -5.324 130 HA PRO 565 HA PRO 565 -0.441 -9.656 -4.227 131 HB2 PRO 565 HB2 PRO 565 -1.981 -8.914 -1.819 132 HB3 PRO 565 HB3 PRO 565 -1.315 -10.482 -2.281 133 HG2 PRO 565 HG2 PRO 565 -0.247 -9.090 -0.275 134 HG3 PRO 565 HG3 PRO 565 0.783 -9.997 -1.401 135 HD2 PRO 565 HD2 PRO 565 0.144 -7.059 -1.380 136 HD3 PRO 565 HD3 PRO 565 1.723 -7.859 -1.549 137 H ILE 566 HN ILE 566 -1.186 -6.339 -3.396 138 HA ILE 566 HA ILE 566 -3.941 -6.439 -4.022 139 HB ILE 566 HB ILE 566 -2.080 -4.072 -3.835 140 HG12 ILE 566 HG12 ILE 566 -3.814 -5.473 -1.786 141 HG13 ILE 566 HG13 ILE 566 -2.062 -5.320 -1.770 142 HG21 ILE 566 HG21 ILE 566 -5.089 -4.207 -3.731 143 HG22 ILE 566 HG22 ILE 566 -4.116 -3.509 -5.028 144 HG23 ILE 566 HG23 ILE 566 -4.116 -2.767 -3.428 145 HD11 ILE 566 HD11 ILE 566 -2.261 -2.929 -1.403 146 HD12 ILE 566 HD12 ILE 566 -3.111 -3.843 -0.155 147 HD13 ILE 566 HD13 ILE 566 -4.017 -3.061 -1.452 148 H CYS 567 HN CYS 567 -1.064 -5.546 -5.900 149 HA CYS 567 HA CYS 567 -2.798 -5.516 -8.270 150 HB2 CYS 567 HB2 CYS 567 -1.369 -3.832 -9.313 151 HB3 CYS 567 HB3 CYS 567 -2.078 -3.242 -7.816 152 H LYS 568 HN LYS 568 -0.496 -7.190 -6.728 153 HA LYS 568 HA LYS 568 0.562 -9.099 -7.285 154 HB2 LYS 568 HB2 LYS 568 -0.592 -8.665 -10.038 155 HB3 LYS 568 HB3 LYS 568 0.148 -10.149 -9.456 156 HG2 LYS 568 HG2 LYS 568 -1.605 -10.450 -7.840 157 HG3 LYS 568 HG3 LYS 568 -2.318 -8.895 -8.270 158 HD2 LYS 568 HD2 LYS 568 -3.560 -10.663 -9.343 159 HD3 LYS 568 HD3 LYS 568 -2.680 -9.743 -10.568 160 HE2 LYS 568 HE2 LYS 568 -2.470 -12.081 -11.064 161 HE3 LYS 568 HE3 LYS 568 -0.907 -11.480 -10.514 162 HZ1 LYS 568 HZ1 LYS 568 -2.867 -13.000 -8.878 163 HZ2 LYS 568 HZ2 LYS 568 -1.394 -12.387 -8.308 164 HZ3 LYS 568 HZ3 LYS 568 -1.404 -13.595 -9.497 165 H GLU 569 HN GLU 569 1.783 -6.294 -7.916 166 HA GLU 569 HA GLU 569 3.859 -7.306 -9.724 167 HB2 GLU 569 HB2 GLU 569 2.863 -4.539 -9.170 168 HB3 GLU 569 HB3 GLU 569 4.491 -4.783 -9.795 169 HG2 GLU 569 HG2 GLU 569 1.963 -5.781 -11.088 170 HG3 GLU 569 HG3 GLU 569 2.864 -4.346 -11.572 171 H THR 570 HN THR 570 5.896 -7.451 -9.131 172 HA THR 570 HA THR 570 6.548 -7.617 -6.392 173 HB THR 570 HB THR 570 8.397 -7.582 -8.786 174 HG1 THR 570 HG1 THR 570 6.904 -9.211 -9.088 175 HG21 THR 570 HG21 THR 570 8.733 -8.702 -5.996 176 HG22 THR 570 HG22 THR 570 9.609 -7.340 -6.694 177 HG23 THR 570 HG23 THR 570 9.852 -8.965 -7.335 178 H VAL 571 HN VAL 571 7.302 -6.136 -5.049 179 HA VAL 571 HA VAL 571 7.830 -3.436 -6.052 180 HB VAL 571 HB VAL 571 7.634 -4.333 -3.180 181 HG11 VAL 571 HG11 VAL 571 8.621 -2.145 -3.484 182 HG12 VAL 571 HG12 VAL 571 7.013 -1.989 -2.777 183 HG13 VAL 571 HG13 VAL 571 7.263 -1.643 -4.489 184 HG21 VAL 571 HG21 VAL 571 5.400 -3.409 -4.977 185 HG22 VAL 571 HG22 VAL 571 5.276 -3.657 -3.235 186 HG23 VAL 571 HG23 VAL 571 5.603 -5.024 -4.300 187 H THR 572 HN THR 572 9.882 -2.893 -6.403 188 HA THR 572 HA THR 572 11.966 -4.077 -4.693 189 HB THR 572 HB THR 572 13.560 -3.302 -6.496 190 HG1 THR 572 HG1 THR 572 11.287 -2.228 -7.483 191 HG21 THR 572 HG21 THR 572 13.052 -5.170 -8.006 192 HG22 THR 572 HG22 THR 572 11.448 -5.309 -7.289 193 HG23 THR 572 HG23 THR 572 12.881 -5.635 -6.314 194 H GLY 573 HN GLY 573 13.743 -2.600 -4.040 195 HA2 GLY 573 HA2 GLY 573 12.797 0.187 -3.852 196 HA3 GLY 573 HA3 GLY 573 13.408 -0.682 -2.449 197 H VAL 574 HN VAL 574 14.457 1.740 -3.377 198 HA VAL 574 HA VAL 574 16.981 0.938 -4.667 199 HB VAL 574 HB VAL 574 15.742 3.695 -4.698 200 HG11 VAL 574 HG11 VAL 574 18.145 3.667 -5.056 201 HG12 VAL 574 HG12 VAL 574 17.311 4.091 -6.550 202 HG13 VAL 574 HG13 VAL 574 17.960 2.465 -6.332 203 HG21 VAL 574 HG21 VAL 574 14.237 2.200 -5.854 204 HG22 VAL 574 HG22 VAL 574 15.572 1.533 -6.794 205 HG23 VAL 574 HG23 VAL 574 15.080 3.211 -7.027 206 H TYR 575 HN TYR 575 18.896 1.816 -3.869 207 HA TYR 575 HA TYR 575 18.900 2.642 -1.112 208 HB2 TYR 575 HB2 TYR 575 20.668 1.166 -1.932 209 HB3 TYR 575 HB3 TYR 575 21.131 2.355 -3.143 210 HD1 TYR 575 HD1 TYR 575 23.123 3.392 -2.674 211 HD2 TYR 575 HD2 TYR 575 20.525 2.412 0.554 212 HE1 TYR 575 HE1 TYR 575 24.711 4.403 -1.091 213 HE2 TYR 575 HE2 TYR 575 22.109 3.420 2.142 214 HH TYR 575 HH TYR 575 24.476 3.957 2.279 215 H ASP 576 HN ASP 576 18.713 4.706 -0.479 216 HA ASP 576 HA ASP 576 19.123 6.821 -2.447 217 HB2 ASP 576 HB2 ASP 576 17.130 6.895 -0.925 218 HB3 ASP 576 HB3 ASP 576 18.234 7.077 0.437 219 H GLU 577 HN GLU 577 21.133 7.409 -2.722 220 HA GLU 577 HA GLU 577 23.207 6.618 -0.975 221 HB2 GLU 577 HB2 GLU 577 23.246 8.481 -3.347 222 HB3 GLU 577 HB3 GLU 577 24.671 7.792 -2.577 223 HG2 GLU 577 HG2 GLU 577 24.067 5.590 -3.240 224 HG3 GLU 577 HG3 GLU 577 22.472 6.125 -3.757 225 H GLU 578 HN GLU 578 21.409 9.573 -1.308 226 HA GLU 578 HA GLU 578 23.294 11.218 0.057 227 HB2 GLU 578 HB2 GLU 578 20.385 11.613 -0.641 228 HB3 GLU 578 HB3 GLU 578 21.349 12.835 0.176 229 HG2 GLU 578 HG2 GLU 578 21.598 13.548 -1.959 230 HG3 GLU 578 HG3 GLU 578 22.958 12.434 -1.880 231 H SER 579 HN SER 579 20.245 9.630 1.038 232 HA SER 579 HA SER 579 20.623 10.556 3.754 233 HB2 SER 579 HB2 SER 579 18.551 9.277 4.240 234 HB3 SER 579 HB3 SER 579 18.354 10.411 2.905 235 HG SER 579 HG SER 579 18.445 8.744 1.466 236 H GLY 580 HN GLY 580 21.457 7.801 1.898 237 HA2 GLY 580 HA2 GLY 580 22.970 6.138 2.466 238 HA3 GLY 580 HA3 GLY 580 22.966 6.738 4.117 239 H GLU 581 HN GLU 581 19.919 6.076 2.659 240 HA GLU 581 HA GLU 581 19.769 3.503 4.073 241 HB2 GLU 581 HB2 GLU 581 17.717 5.728 4.125 242 HB3 GLU 581 HB3 GLU 581 17.460 4.116 4.783 243 HG2 GLU 581 HG2 GLU 581 19.219 4.453 6.397 244 HG3 GLU 581 HG3 GLU 581 19.595 6.028 5.698 245 H TRP 582 HN TRP 582 18.440 1.957 3.156 246 HA TRP 582 HA TRP 582 17.758 2.274 0.376 247 HB2 TRP 582 HB2 TRP 582 17.245 0.018 2.320 248 HB3 TRP 582 HB3 TRP 582 16.862 -0.049 0.600 249 HD1 TRP 582 HD1 TRP 582 19.899 0.033 2.977 250 HE1 TRP 582 HE1 TRP 582 21.927 -0.941 1.715 251 HE3 TRP 582 HE3 TRP 582 17.796 -0.465 -1.647 252 HZ2 TRP 582 HZ2 TRP 582 22.541 -1.813 -0.907 253 HZ3 TRP 582 HZ3 TRP 582 19.155 -1.376 -3.478 254 HH2 TRP 582 HH2 TRP 582 21.483 -2.039 -3.118 255 H VAL 583 HN VAL 583 15.726 2.579 -0.473 256 HA VAL 583 HA VAL 583 13.711 3.277 1.556 257 HB VAL 583 HB VAL 583 12.839 4.950 0.017 258 HG11 VAL 583 HG11 VAL 583 14.545 5.640 1.590 259 HG12 VAL 583 HG12 VAL 583 14.718 6.526 0.075 260 HG13 VAL 583 HG13 VAL 583 15.814 5.195 0.448 261 HG21 VAL 583 HG21 VAL 583 15.129 4.205 -1.800 262 HG22 VAL 583 HG22 VAL 583 13.962 5.505 -2.061 263 HG23 VAL 583 HG23 VAL 583 13.431 3.821 -2.081 264 H TRP 584 HN TRP 584 11.912 2.131 1.596 265 HA TRP 584 HA TRP 584 10.776 1.203 -0.958 266 HB2 TRP 584 HB2 TRP 584 10.329 0.357 1.898 267 HB3 TRP 584 HB3 TRP 584 9.087 0.073 0.687 268 HD1 TRP 584 HD1 TRP 584 12.121 -0.394 -1.160 269 HE1 TRP 584 HE1 TRP 584 12.813 -2.856 -1.295 270 HE3 TRP 584 HE3 TRP 584 9.187 -2.240 2.574 271 HZ2 TRP 584 HZ2 TRP 584 12.198 -5.278 0.016 272 HZ3 TRP 584 HZ3 TRP 584 9.287 -4.645 3.069 273 HH2 TRP 584 HH2 TRP 584 10.768 -6.136 1.812 274 H LYS 585 HN LYS 585 9.653 2.876 -1.798 275 HA LYS 585 HA LYS 585 8.384 4.759 0.032 276 HB2 LYS 585 HB2 LYS 585 8.271 6.270 -1.863 277 HB3 LYS 585 HB3 LYS 585 9.900 5.640 -1.691 278 HG2 LYS 585 HG2 LYS 585 9.756 5.312 -3.903 279 HG3 LYS 585 HG3 LYS 585 8.833 3.872 -3.460 280 HD2 LYS 585 HD2 LYS 585 6.766 5.140 -3.624 281 HD3 LYS 585 HD3 LYS 585 7.677 6.591 -4.041 282 HE2 LYS 585 HE2 LYS 585 8.581 5.288 -6.017 283 HE3 LYS 585 HE3 LYS 585 7.358 4.070 -5.655 284 HZ1 LYS 585 HZ1 LYS 585 5.678 5.880 -5.855 285 HZ2 LYS 585 HZ2 LYS 585 6.489 5.529 -7.299 286 HZ3 LYS 585 HZ3 LYS 585 6.913 6.905 -6.405 287 H ASN 586 HN ASN 586 6.203 5.476 -0.319 288 HA ASN 586 HA ASN 586 3.974 4.970 -0.301 289 HB2 ASN 586 HB2 ASN 586 4.638 3.577 -2.917 290 HB3 ASN 586 HB3 ASN 586 3.027 3.976 -2.347 291 HD21 ASN 586 HD21 ASN 586 2.620 5.229 -4.131 292 HD22 ASN 586 HD22 ASN 586 3.294 6.811 -4.317 293 H THR 587 HN THR 587 5.530 3.368 1.252 294 HA THR 587 HA THR 587 4.253 0.720 0.994 295 HB THR 587 HB THR 587 7.011 1.265 2.124 296 HG1 THR 587 HG1 THR 587 6.465 1.338 -0.339 297 HG21 THR 587 HG21 THR 587 5.629 -1.344 1.480 298 HG22 THR 587 HG22 THR 587 5.900 -0.703 3.100 299 HG23 THR 587 HG23 THR 587 7.272 -1.165 2.092 300 H ILE 588 HN ILE 588 3.384 -0.148 2.830 301 HA ILE 588 HA ILE 588 3.830 1.213 5.386 302 HB ILE 588 HB ILE 588 1.762 2.183 4.406 303 HG12 ILE 588 HG12 ILE 588 1.238 0.406 6.806 304 HG13 ILE 588 HG13 ILE 588 2.041 1.973 6.860 305 HG21 ILE 588 HG21 ILE 588 1.003 0.324 3.068 306 HG22 ILE 588 HG22 ILE 588 -0.253 0.754 4.232 307 HG23 ILE 588 HG23 ILE 588 0.764 -0.656 4.514 308 HD11 ILE 588 HD11 ILE 588 -0.004 3.046 6.065 309 HD12 ILE 588 HD12 ILE 588 -0.281 2.137 7.551 310 HD13 ILE 588 HD13 ILE 588 -0.801 1.473 6.003 311 H GLU 589 HN GLU 589 3.567 -0.139 7.197 312 HA GLU 589 HA GLU 589 3.384 -2.988 6.547 313 HB2 GLU 589 HB2 GLU 589 5.417 -2.314 7.741 314 HB3 GLU 589 HB3 GLU 589 4.445 -1.622 9.030 315 HG2 GLU 589 HG2 GLU 589 4.051 -4.497 8.392 316 HG3 GLU 589 HG3 GLU 589 5.537 -4.023 9.215 317 H VAL 590 HN VAL 590 1.558 -3.962 6.889 318 HA VAL 590 HA VAL 590 -0.171 -3.103 9.111 319 HB VAL 590 HB VAL 590 -1.153 -3.914 6.362 320 HG11 VAL 590 HG11 VAL 590 -2.692 -2.992 8.791 321 HG12 VAL 590 HG12 VAL 590 -2.623 -4.642 8.174 322 HG13 VAL 590 HG13 VAL 590 -3.376 -3.373 7.209 323 HG21 VAL 590 HG21 VAL 590 -1.956 -1.609 6.157 324 HG22 VAL 590 HG22 VAL 590 -0.202 -1.670 6.335 325 HG23 VAL 590 HG23 VAL 590 -1.211 -1.212 7.706 326 H ASN 591 HN ASN 591 -0.665 -4.724 10.412 327 HA ASN 591 HA ASN 591 -0.890 -6.798 11.303 328 HB2 ASN 591 HB2 ASN 591 -2.633 -6.860 9.432 329 HB3 ASN 591 HB3 ASN 591 -1.458 -7.775 8.498 330 HD21 ASN 591 HD21 ASN 591 -3.469 -7.790 11.361 331 HD22 ASN 591 HD22 ASN 591 -3.479 -9.506 11.578 332 H GLY 592 HN GLY 592 1.714 -5.901 10.365 333 HA2 GLY 592 HA2 GLY 592 3.786 -6.886 10.760 334 HA3 GLY 592 HA3 GLY 592 3.037 -8.468 10.650 335 H LYS 593 HN LYS 593 2.023 -6.765 7.992 336 HA LYS 593 HA LYS 593 4.270 -7.781 6.386 337 HB2 LYS 593 HB2 LYS 593 1.314 -7.931 5.824 338 HB3 LYS 593 HB3 LYS 593 2.521 -8.138 4.563 339 HG2 LYS 593 HG2 LYS 593 2.380 -9.814 7.059 340 HG3 LYS 593 HG3 LYS 593 1.654 -10.262 5.512 341 HD2 LYS 593 HD2 LYS 593 3.896 -10.140 4.462 342 HD3 LYS 593 HD3 LYS 593 4.591 -9.770 6.042 343 HE2 LYS 593 HE2 LYS 593 3.045 -12.276 5.397 344 HE3 LYS 593 HE3 LYS 593 4.805 -12.159 5.377 345 HZ1 LYS 593 HZ1 LYS 593 4.014 -13.073 7.463 346 HZ2 LYS 593 HZ2 LYS 593 3.056 -11.699 7.737 347 HZ3 LYS 593 HZ3 LYS 593 4.748 -11.564 7.722 348 H TYR 594 HN TYR 594 4.860 -6.657 4.556 349 HA TYR 594 HA TYR 594 4.161 -3.829 4.625 350 HB2 TYR 594 HB2 TYR 594 6.336 -5.296 3.109 351 HB3 TYR 594 HB3 TYR 594 6.092 -3.553 3.094 352 HD1 TYR 594 HD1 TYR 594 7.495 -6.356 4.874 353 HD2 TYR 594 HD2 TYR 594 6.407 -2.257 5.213 354 HE1 TYR 594 HE1 TYR 594 8.925 -6.148 6.860 355 HE2 TYR 594 HE2 TYR 594 7.844 -2.032 7.191 356 HH TYR 594 HH TYR 594 10.147 -4.320 8.081 357 H PHE 595 HN PHE 595 3.014 -2.848 3.152 358 HA PHE 595 HA PHE 595 2.497 -4.121 0.543 359 HB2 PHE 595 HB2 PHE 595 0.414 -2.826 2.339 360 HB3 PHE 595 HB3 PHE 595 0.131 -3.341 0.686 361 HD1 PHE 595 HD1 PHE 595 0.696 -4.457 4.127 362 HD2 PHE 595 HD2 PHE 595 -0.269 -5.635 0.155 363 HE1 PHE 595 HE1 PHE 595 0.025 -6.671 4.947 364 HE2 PHE 595 HE2 PHE 595 -0.952 -7.850 0.976 365 HZ PHE 595 HZ PHE 595 -0.908 -8.345 3.365 366 H HIS 596 HN HIS 596 1.857 -2.495 -1.106 367 HA HIS 596 HA HIS 596 2.940 0.110 -0.749 368 HB2 HIS 596 HB2 HIS 596 0.931 -0.995 -2.729 369 HB3 HIS 596 HB3 HIS 596 1.404 0.698 -2.723 370 HD2 HIS 596 HD2 HIS 596 4.576 0.528 -2.650 371 HE1 HIS 596 HE1 HIS 596 4.138 -2.103 -5.948 372 HE2 HIS 596 HE2 HIS 596 5.701 -0.489 -4.757 373 H SER 597 HN SER 597 2.088 1.730 0.404 374 HA SER 597 HA SER 597 -0.416 1.506 1.711 375 HB2 SER 597 HB2 SER 597 0.114 4.057 2.131 376 HB3 SER 597 HB3 SER 597 1.078 2.800 2.911 377 HG SER 597 HG SER 597 2.678 3.821 1.999 378 H THR 598 HN THR 598 0.693 2.978 -1.229 379 HA THR 598 HA THR 598 -1.583 4.462 -1.912 380 HB THR 598 HB THR 598 0.313 3.009 -3.780 381 HG1 THR 598 HG1 THR 598 0.685 5.695 -3.145 382 HG21 THR 598 HG21 THR 598 -0.225 4.815 -5.349 383 HG22 THR 598 HG22 THR 598 -1.347 5.512 -4.179 384 HG23 THR 598 HG23 THR 598 -1.680 3.933 -4.892 385 H CYS 599 HN CYS 599 -0.759 1.060 -2.356 386 HA CYS 599 HA CYS 599 -3.123 0.409 -3.841 387 HB2 CYS 599 HB2 CYS 599 -1.158 -1.367 -2.389 388 HB3 CYS 599 HB3 CYS 599 -2.438 -1.937 -3.448 389 H TYR 600 HN TYR 600 -2.232 0.602 -0.508 390 HA TYR 600 HA TYR 600 -3.960 -1.206 0.688 391 HB2 TYR 600 HB2 TYR 600 -2.141 -0.121 1.890 392 HB3 TYR 600 HB3 TYR 600 -2.930 1.441 1.736 393 HD1 TYR 600 HD1 TYR 600 -3.302 -1.922 3.274 394 HD2 TYR 600 HD2 TYR 600 -4.453 2.172 3.371 395 HE1 TYR 600 HE1 TYR 600 -4.431 -2.299 5.424 396 HE2 TYR 600 HE2 TYR 600 -5.592 1.806 5.522 397 HH TYR 600 HH TYR 600 -6.579 -0.065 6.799 398 H HIS 601 HN HIS 601 -4.581 2.029 -0.482 399 HA HIS 601 HA HIS 601 -6.926 2.551 0.937 400 HB2 HIS 601 HB2 HIS 601 -5.971 3.567 -1.735 401 HB3 HIS 601 HB3 HIS 601 -7.410 4.175 -0.921 402 HD2 HIS 601 HD2 HIS 601 -5.386 3.771 1.993 403 HE1 HIS 601 HE1 HIS 601 -3.929 7.387 0.350 404 HE2 HIS 601 HE2 HIS 601 -4.231 6.042 2.482 405 H GLU 602 HN GLU 602 -6.444 0.651 -2.007 406 HA GLU 602 HA GLU 602 -9.230 0.661 -2.652 407 HB2 GLU 602 HB2 GLU 602 -8.782 -0.818 -4.419 408 HB3 GLU 602 HB3 GLU 602 -7.375 0.223 -4.326 409 HG2 GLU 602 HG2 GLU 602 -5.999 -1.485 -3.567 410 HG3 GLU 602 HG3 GLU 602 -7.359 -2.443 -2.967 411 H THR 603 HN THR 603 -7.175 -1.366 -0.662 412 HA THR 603 HA THR 603 -9.280 -3.361 -0.441 413 HB THR 603 HB THR 603 -6.983 -4.195 -0.598 414 HG1 THR 603 HG1 THR 603 -8.741 -4.797 1.363 415 HG21 THR 603 HG21 THR 603 -6.544 -2.745 2.015 416 HG22 THR 603 HG22 THR 603 -5.778 -2.387 0.467 417 HG23 THR 603 HG23 THR 603 -5.425 -3.902 1.297
Contact the webmaster for help, if required. Friday, July 5, 2024 12:18:27 AM GMT (wattos1)