NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
600864 | 2n5l | 25720 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 540 HN GLY 540 -4.261 17.391 4.334 2 HA2 GLY 540 2HA GLY 540 -3.424 18.304 2.170 3 HA3 GLY 540 3HA GLY 540 -3.325 16.550 2.228 4 HA PRO 541 HA PRO 541 -7.258 17.626 -0.389 5 HB2 PRO 541 3HB PRO 541 -7.554 20.249 -1.118 6 HB3 PRO 541 2HB PRO 541 -8.236 19.566 0.358 7 HG2 PRO 541 3HG PRO 541 -5.690 21.105 -0.025 8 HG3 PRO 541 2HG PRO 541 -6.954 21.290 1.248 9 HD2 PRO 541 3HD PRO 541 -4.609 19.994 1.688 10 HD3 PRO 541 2HD PRO 541 -6.128 19.513 2.462 11 H HIS 542 HN HIS 542 -4.515 19.808 -1.021 12 HA HIS 542 HA HIS 542 -4.670 19.508 -3.857 13 HB2 HIS 542 3HB HIS 542 -2.511 20.699 -3.889 14 HB3 HIS 542 2HB HIS 542 -3.708 21.521 -2.883 15 HD1 HIS 542 1HD HIS 542 -2.714 22.398 -0.811 16 HD2 HIS 542 2HD HIS 542 -0.899 18.855 -1.998 17 HE1 HIS 542 1HE HIS 542 -0.945 21.937 0.917 18 HE2 HIS 542 2HE HIS 542 0.165 19.772 0.192 19 H MET 543 HN MET 543 -2.537 18.842 -5.033 20 HA MET 543 HA MET 543 -1.238 16.547 -3.807 21 HB2 MET 543 3HB MET 543 -3.021 16.380 -6.232 22 HB3 MET 543 2HB MET 543 -1.741 15.196 -5.929 23 HG2 MET 543 3HG MET 543 -2.816 14.824 -3.651 24 HG3 MET 543 2HG MET 543 -4.187 15.741 -4.282 25 HE1 MET 543 3HE MET 543 -5.578 13.602 -3.560 26 HE2 MET 543 1HE MET 543 -5.452 12.022 -4.334 27 HE3 MET 543 2HE MET 543 -4.197 12.559 -3.217 28 H GLY 544 HN GLY 544 0.743 16.020 -4.736 29 HA2 GLY 544 2HA GLY 544 1.742 16.782 -7.193 30 HA3 GLY 544 3HA GLY 544 2.046 18.143 -6.124 31 H ASP 545 HN ASP 545 2.752 17.028 -3.785 32 HA ASP 545 HA ASP 545 5.391 16.067 -4.349 33 HB2 ASP 545 3HB ASP 545 4.057 16.172 -1.637 34 HB3 ASP 545 2HB ASP 545 5.786 16.236 -2.002 35 HD2 ASP 545 HD ASP 545 5.290 19.591 -3.265 36 H LEU 546 HN LEU 546 2.370 14.643 -3.326 37 HA LEU 546 HA LEU 546 3.227 12.227 -2.279 38 HB2 LEU 546 3HB LEU 546 0.778 13.150 -3.701 39 HB3 LEU 546 2HB LEU 546 1.010 11.406 -3.484 40 HG LEU 546 HG LEU 546 -0.418 12.413 -1.746 41 HD11 LEU 546 1HD1 LEU 546 1.142 10.416 -1.394 42 HD12 LEU 546 2HD1 LEU 546 0.498 11.218 0.038 43 HD13 LEU 546 3HD1 LEU 546 2.154 11.534 -0.479 44 HD21 LEU 546 3HD2 LEU 546 0.646 13.838 -0.029 45 HD22 LEU 546 1HD2 LEU 546 0.558 14.615 -1.610 46 HD23 LEU 546 2HD2 LEU 546 2.086 13.940 -1.044 47 H ALA 547 HN ALA 547 3.155 13.316 -5.582 48 HA ALA 547 HA ALA 547 3.274 10.875 -6.933 49 HB1 ALA 547 1HB ALA 547 4.722 12.384 -8.575 50 HB2 ALA 547 2HB ALA 547 2.976 12.575 -8.411 51 HB3 ALA 547 3HB ALA 547 4.067 13.663 -7.552 52 H LYS 548 HN LYS 548 5.808 12.775 -5.387 53 HA LYS 548 HA LYS 548 7.972 11.192 -6.354 54 HB2 LYS 548 3HB LYS 548 8.271 13.515 -5.612 55 HB3 LYS 548 2HB LYS 548 7.837 13.038 -3.962 56 HG2 LYS 548 3HG LYS 548 10.199 13.212 -4.029 57 HG3 LYS 548 2HG LYS 548 9.804 11.485 -3.990 58 HD2 LYS 548 3HD LYS 548 11.440 11.585 -5.635 59 HD3 LYS 548 2HD LYS 548 9.937 11.636 -6.574 60 HE2 LYS 548 3HE LYS 548 10.115 14.159 -6.534 61 HE3 LYS 548 2HE LYS 548 11.733 13.944 -5.852 62 HZ1 LYS 548 3HZ LYS 548 10.763 13.168 -8.533 63 HZ2 LYS 548 1HZ LYS 548 12.166 12.489 -7.874 64 HZ3 LYS 548 2HZ LYS 548 12.075 14.158 -8.132 65 H GLU 549 HN GLU 549 5.961 11.138 -3.468 66 HA GLU 549 HA GLU 549 7.497 9.236 -2.033 67 HB2 GLU 549 3HB GLU 549 4.958 10.620 -1.726 68 HB3 GLU 549 2HB GLU 549 4.859 8.937 -1.187 69 HG2 GLU 549 3HG GLU 549 6.757 11.064 -0.205 70 HG3 GLU 549 2HG GLU 549 5.435 10.295 0.686 71 HE2 GLU 549 HE GLU 549 8.917 8.599 0.775 72 H ARG 550 HN ARG 550 4.363 8.836 -3.698 73 HA ARG 550 HA ARG 550 4.177 6.088 -3.531 74 HB2 ARG 550 3HB ARG 550 2.502 7.841 -4.445 75 HB3 ARG 550 2HB ARG 550 3.295 7.552 -6.001 76 HG2 ARG 550 3HG ARG 550 2.689 5.226 -5.961 77 HG3 ARG 550 2HG ARG 550 2.039 5.394 -4.321 78 HD2 ARG 550 3HD ARG 550 0.182 5.408 -5.824 79 HD3 ARG 550 2HD ARG 550 0.402 7.057 -5.223 80 HE ARG 550 HE ARG 550 1.837 6.877 -7.587 81 HH11 ARG 550 1HH1 ARG 550 -1.476 6.609 -6.551 82 HH12 ARG 550 2HH1 ARG 550 -2.128 7.168 -8.056 83 HH21 ARG 550 1HH2 ARG 550 0.990 7.614 -9.573 84 HH22 ARG 550 2HH2 ARG 550 -0.724 7.739 -9.774 85 H ALA 551 HN ALA 551 6.012 8.048 -5.791 86 HA ALA 551 HA ALA 551 6.634 6.130 -7.711 87 HB1 ALA 551 1HB ALA 551 8.734 7.524 -8.043 88 HB2 ALA 551 2HB ALA 551 7.189 8.362 -8.199 89 HB3 ALA 551 3HB ALA 551 8.141 8.535 -6.725 90 H GLY 552 HN GLY 552 8.693 7.130 -4.964 91 HA2 GLY 552 2HA GLY 552 10.490 4.947 -5.292 92 HA3 GLY 552 3HA GLY 552 10.415 6.028 -3.908 93 H VAL 553 HN VAL 553 7.846 5.567 -3.003 94 HA VAL 553 HA VAL 553 8.133 3.375 -1.353 95 HB VAL 553 HB VAL 553 5.564 4.651 -2.302 96 HG11 VAL 553 1HG1 VAL 553 4.748 2.717 -1.396 97 HG12 VAL 553 2HG1 VAL 553 6.121 2.517 -0.305 98 HG13 VAL 553 3HG1 VAL 553 4.868 3.704 0.060 99 HG21 VAL 553 3HG2 VAL 553 6.023 6.332 -0.921 100 HG22 VAL 553 1HG2 VAL 553 6.325 5.216 0.410 101 HG23 VAL 553 2HG2 VAL 553 7.632 5.647 -0.692 102 H TYR 554 HN TYR 554 6.046 3.561 -4.242 103 HA TYR 554 HA TYR 554 5.193 0.930 -4.282 104 HB2 TYR 554 3HB TYR 554 4.205 2.596 -5.729 105 HB3 TYR 554 2HB TYR 554 5.729 2.803 -6.594 106 HD1 TYR 554 1HD TYR 554 2.965 0.420 -5.990 107 HD2 TYR 554 2HD TYR 554 6.357 1.370 -8.377 108 HE1 TYR 554 1HE TYR 554 2.312 -1.321 -7.600 109 HE2 TYR 554 2HE TYR 554 5.713 -0.367 -9.994 110 HH TYR 554 HH TYR 554 2.754 -1.708 -10.172 111 H THR 555 HN THR 555 8.154 2.336 -5.588 112 HA THR 555 HA THR 555 9.108 0.164 -7.037 113 HB THR 555 HB THR 555 10.819 2.069 -5.430 114 HG1 THR 555 1HG THR 555 10.541 3.513 -7.024 115 HG21 THR 555 3HG2 THR 555 12.054 0.185 -6.347 116 HG22 THR 555 1HG2 THR 555 12.461 1.660 -7.224 117 HG23 THR 555 2HG2 THR 555 11.362 0.482 -7.942 118 H LYS 556 HN LYS 556 9.464 0.909 -3.592 119 HA LYS 556 HA LYS 556 11.070 -1.412 -3.064 120 HB2 LYS 556 3HB LYS 556 9.955 0.849 -1.518 121 HB3 LYS 556 2HB LYS 556 10.172 -0.660 -0.616 122 HG2 LYS 556 3HG LYS 556 12.221 0.213 -0.245 123 HG3 LYS 556 2HG LYS 556 12.555 -0.550 -1.810 124 HD2 LYS 556 3HD LYS 556 12.392 1.480 -2.981 125 HD3 LYS 556 2HD LYS 556 11.566 2.280 -1.632 126 HE2 LYS 556 3HE LYS 556 13.688 1.969 -0.285 127 HE3 LYS 556 2HE LYS 556 14.460 1.462 -1.795 128 HZ1 LYS 556 3HZ LYS 556 13.329 3.759 -2.549 129 HZ2 LYS 556 1HZ LYS 556 14.914 3.638 -1.970 130 HZ3 LYS 556 2HZ LYS 556 13.667 4.109 -0.929 131 H LEU 557 HN LEU 557 7.677 -0.636 -3.034 132 HA LEU 557 HA LEU 557 6.680 -2.646 -1.392 133 HB2 LEU 557 3HB LEU 557 5.652 -0.935 -3.546 134 HB3 LEU 557 2HB LEU 557 4.789 -2.472 -3.356 135 HG LEU 557 HG LEU 557 3.643 -0.774 -2.109 136 HD11 LEU 557 1HD1 LEU 557 4.492 -3.172 -1.062 137 HD12 LEU 557 2HD1 LEU 557 3.225 -2.140 -0.399 138 HD13 LEU 557 3HD1 LEU 557 4.874 -2.016 0.214 139 HD21 LEU 557 3HD2 LEU 557 6.327 -0.257 -0.843 140 HD22 LEU 557 1HD2 LEU 557 4.804 0.347 -0.189 141 HD23 LEU 557 2HD2 LEU 557 5.343 0.861 -1.788 142 H CYS 558 HN CYS 558 7.878 -2.789 -4.667 143 HA CYS 558 HA CYS 558 6.798 -5.292 -5.390 144 HB2 CYS 558 3HB CYS 558 9.357 -3.978 -6.322 145 HB3 CYS 558 2HB CYS 558 8.527 -5.313 -7.140 146 HG CYS 558 HG CYS 558 6.813 -2.427 -6.639 147 H GLY 559 HN GLY 559 9.212 -4.453 -3.158 148 HA2 GLY 559 2HA GLY 559 10.355 -7.171 -3.241 149 HA3 GLY 559 3HA GLY 559 11.149 -5.768 -2.541 150 H VAL 560 HN VAL 560 8.010 -5.509 -1.656 151 HA VAL 560 HA VAL 560 8.466 -6.993 0.852 152 HB VAL 560 HB VAL 560 6.783 -4.505 0.567 153 HG11 VAL 560 1HG1 VAL 560 7.900 -5.876 3.010 154 HG12 VAL 560 2HG1 VAL 560 6.854 -4.456 2.985 155 HG13 VAL 560 3HG1 VAL 560 6.238 -6.016 2.439 156 HG21 VAL 560 3HG2 VAL 560 9.663 -4.792 0.735 157 HG22 VAL 560 1HG2 VAL 560 8.687 -3.355 0.425 158 HG23 VAL 560 2HG2 VAL 560 9.012 -3.861 2.084 159 H PHE 561 HN PHE 561 6.251 -6.227 -1.719 160 HA PHE 561 HA PHE 561 4.594 -8.477 -1.014 161 HB2 PHE 561 3HB PHE 561 3.628 -5.644 -0.743 162 HB3 PHE 561 2HB PHE 561 2.501 -6.924 -1.199 163 HD1 PHE 561 2HD PHE 561 2.216 -8.909 0.328 164 HD2 PHE 561 1HD PHE 561 4.252 -5.361 1.506 165 HE1 PHE 561 2HE PHE 561 1.929 -9.533 2.690 166 HE2 PHE 561 1HE PHE 561 3.969 -5.980 3.870 167 HZ PHE 561 HZ PHE 561 2.805 -8.067 4.465 168 HA PRO 562 HA PRO 562 3.965 -8.688 -5.350 169 HB2 PRO 562 3HB PRO 562 1.432 -9.713 -5.525 170 HB3 PRO 562 2HB PRO 562 2.826 -10.650 -4.992 171 HG2 PRO 562 3HG PRO 562 0.738 -9.247 -3.358 172 HG3 PRO 562 2HG PRO 562 1.421 -10.904 -3.156 173 HD2 PRO 562 3HD PRO 562 2.206 -8.799 -1.630 174 HD3 PRO 562 2HD PRO 562 3.309 -10.102 -2.103 175 HA PRO 563 HA PRO 563 1.807 -5.232 -7.003 176 HB2 PRO 563 3HB PRO 563 0.821 -6.183 -9.374 177 HB3 PRO 563 2HB PRO 563 2.532 -5.871 -9.087 178 HG2 PRO 563 3HG PRO 563 1.016 -8.454 -8.923 179 HG3 PRO 563 2HG PRO 563 2.611 -8.115 -9.693 180 HD2 PRO 563 3HD PRO 563 2.380 -9.300 -7.262 181 HD3 PRO 563 2HD PRO 563 3.716 -8.211 -7.673 182 H HIS 564 HN HIS 564 -0.131 -8.205 -7.365 183 HA HIS 564 HA HIS 564 -2.634 -7.064 -7.627 184 HB2 HIS 564 3HB HIS 564 -3.492 -9.163 -7.310 185 HB3 HIS 564 2HB HIS 564 -1.804 -9.582 -7.621 186 HD1 HIS 564 1HD HIS 564 -0.363 -10.359 -5.594 187 HD2 HIS 564 2HD HIS 564 -4.370 -9.704 -4.714 188 HE1 HIS 564 1HE HIS 564 -0.739 -11.418 -3.344 189 HE2 HIS 564 2HE HIS 564 -3.188 -11.019 -2.805 190 H LEU 565 HN LEU 565 -0.648 -7.385 -4.793 191 HA LEU 565 HA LEU 565 -2.793 -6.762 -2.958 192 HB2 LEU 565 3HB LEU 565 0.033 -7.553 -2.786 193 HB3 LEU 565 2HB LEU 565 -0.493 -6.411 -1.538 194 HG LEU 565 HG LEU 565 -1.724 -9.111 -2.084 195 HD11 LEU 565 1HD1 LEU 565 -0.806 -9.282 0.409 196 HD12 LEU 565 2HD1 LEU 565 0.379 -8.148 -0.237 197 HD13 LEU 565 3HD1 LEU 565 0.165 -9.726 -0.994 198 HD21 LEU 565 3HD2 LEU 565 -2.755 -8.526 0.233 199 HD22 LEU 565 1HD2 LEU 565 -3.484 -7.882 -1.238 200 HD23 LEU 565 2HD2 LEU 565 -2.437 -6.860 -0.253 201 H VAL 566 HN VAL 566 0.300 -5.167 -3.759 202 HA VAL 566 HA VAL 566 -0.137 -2.758 -2.496 203 HB VAL 566 HB VAL 566 1.290 -3.144 -5.132 204 HG11 VAL 566 1HG1 VAL 566 2.618 -1.162 -4.285 205 HG12 VAL 566 2HG1 VAL 566 0.969 -0.825 -4.814 206 HG13 VAL 566 3HG1 VAL 566 1.339 -0.933 -3.093 207 HG21 VAL 566 3HG2 VAL 566 2.974 -4.121 -4.044 208 HG22 VAL 566 1HG2 VAL 566 2.941 -2.910 -2.761 209 HG23 VAL 566 2HG2 VAL 566 1.868 -4.307 -2.683 210 H GLU 567 HN GLU 567 -0.912 -3.564 -5.879 211 HA GLU 567 HA GLU 567 -1.993 -1.157 -6.677 212 HB2 GLU 567 3HB GLU 567 -2.535 -4.004 -7.447 213 HB3 GLU 567 2HB GLU 567 -3.532 -2.707 -8.125 214 HG2 GLU 567 3HG GLU 567 -1.294 -1.606 -8.776 215 HG3 GLU 567 2HG GLU 567 -0.608 -3.212 -8.492 216 HE2 GLU 567 HE GLU 567 -2.957 -2.712 -11.647 217 H ALA 568 HN ALA 568 -3.400 -3.640 -4.661 218 HA ALA 568 HA ALA 568 -6.043 -2.468 -4.720 219 HB1 ALA 568 1HB ALA 568 -6.598 -4.537 -4.150 220 HB2 ALA 568 2HB ALA 568 -4.903 -4.958 -3.901 221 HB3 ALA 568 3HB ALA 568 -5.846 -4.279 -2.575 222 H VAL 569 HN VAL 569 -3.638 -3.046 -2.143 223 HA VAL 569 HA VAL 569 -4.844 -1.596 -0.127 224 HB VAL 569 HB VAL 569 -1.865 -1.746 -0.602 225 HG11 VAL 569 1HG1 VAL 569 -3.411 -1.491 1.974 226 HG12 VAL 569 2HG1 VAL 569 -1.657 -1.468 1.779 227 HG13 VAL 569 3HG1 VAL 569 -2.634 -0.149 1.134 228 HG21 VAL 569 3HG2 VAL 569 -2.748 -3.665 1.289 229 HG22 VAL 569 1HG2 VAL 569 -3.735 -3.843 -0.162 230 HG23 VAL 569 2HG2 VAL 569 -1.977 -3.940 -0.273 231 H MET 570 HN MET 570 -2.966 -0.455 -2.853 232 HA MET 570 HA MET 570 -2.360 2.125 -2.010 233 HB2 MET 570 3HB MET 570 -2.784 0.825 -4.664 234 HB3 MET 570 2HB MET 570 -2.690 2.591 -4.601 235 HG2 MET 570 3HG MET 570 -0.530 1.885 -3.091 236 HG3 MET 570 2HG MET 570 -0.588 0.583 -4.281 237 HE1 MET 570 3HE MET 570 2.184 3.269 -5.399 238 HE2 MET 570 1HE MET 570 1.554 3.348 -3.753 239 HE3 MET 570 2HE MET 570 1.925 1.785 -4.481 240 H ARG 571 HN ARG 571 -5.381 0.743 -3.003 241 HA ARG 571 HA ARG 571 -6.684 3.273 -3.457 242 HB2 ARG 571 3HB ARG 571 -7.345 1.191 -4.641 243 HB3 ARG 571 2HB ARG 571 -7.904 0.532 -3.097 244 HG2 ARG 571 3HG ARG 571 -9.011 3.165 -3.865 245 HG3 ARG 571 2HG ARG 571 -9.515 1.771 -4.837 246 HD2 ARG 571 3HD ARG 571 -10.661 0.796 -3.123 247 HD3 ARG 571 2HD ARG 571 -9.556 1.431 -1.897 248 HE ARG 571 HE ARG 571 -10.874 3.632 -2.851 249 HH11 ARG 571 1HH1 ARG 571 -11.809 0.604 -1.410 250 HH12 ARG 571 2HH1 ARG 571 -13.242 1.245 -0.677 251 HH21 ARG 571 1HH2 ARG 571 -12.758 4.488 -1.892 252 HH22 ARG 571 2HH2 ARG 571 -13.782 3.455 -0.953 253 H ARG 572 HN ARG 572 -6.065 1.210 -0.771 254 HA ARG 572 HA ARG 572 -8.217 2.108 0.881 255 HB2 ARG 572 3HB ARG 572 -6.943 -0.060 1.143 256 HB3 ARG 572 2HB ARG 572 -5.608 0.900 1.798 257 HG2 ARG 572 3HG ARG 572 -6.871 -0.040 3.615 258 HG3 ARG 572 2HG ARG 572 -7.105 1.716 3.581 259 HD2 ARG 572 3HD ARG 572 -9.051 0.060 2.059 260 HD3 ARG 572 2HD ARG 572 -9.131 -0.002 3.825 261 HE ARG 572 HE ARG 572 -9.022 2.673 3.177 262 HH11 ARG 572 1HH1 ARG 572 -11.127 -0.016 2.501 263 HH12 ARG 572 2HH1 ARG 572 -12.548 0.964 2.358 264 HH21 ARG 572 1HH2 ARG 572 -10.887 3.974 2.991 265 HH22 ARG 572 2HH2 ARG 572 -12.411 3.233 2.636 266 H PHE 573 HN PHE 573 -4.760 2.902 0.672 267 HA PHE 573 HA PHE 573 -5.299 5.300 2.296 268 HB2 PHE 573 3HB PHE 573 -2.850 3.558 2.057 269 HB3 PHE 573 2HB PHE 573 -2.744 5.210 2.665 270 HD1 PHE 573 1HD PHE 573 -4.939 2.241 3.233 271 HD2 PHE 573 2HD PHE 573 -2.701 5.435 4.939 272 HE1 PHE 573 1HE PHE 573 -5.567 1.473 5.485 273 HE2 PHE 573 2HE PHE 573 -3.324 4.671 7.193 274 HZ PHE 573 HZ PHE 573 -4.758 2.688 7.469 275 HA PRO 574 HA PRO 574 -4.236 6.691 -2.011 276 HB2 PRO 574 3HB PRO 574 -6.255 8.534 -2.179 277 HB3 PRO 574 2HB PRO 574 -6.452 6.834 -2.600 278 HG2 PRO 574 3HG PRO 574 -7.135 8.251 -0.047 279 HG3 PRO 574 2HG PRO 574 -8.111 7.060 -0.986 280 HD2 PRO 574 3HD PRO 574 -6.728 6.383 1.251 281 HD3 PRO 574 2HD PRO 574 -6.948 5.272 -0.112 282 H GLN 575 HN GLN 575 -4.373 8.001 1.109 283 HA GLN 575 HA GLN 575 -3.118 10.508 0.212 284 HB2 GLN 575 3HB GLN 575 -3.853 11.558 2.211 285 HB3 GLN 575 2HB GLN 575 -5.240 10.659 1.574 286 HG2 GLN 575 3HG GLN 575 -4.842 8.859 3.169 287 HG3 GLN 575 2HG GLN 575 -3.434 9.729 3.795 288 HE21 GLN 575 1HE2 GLN 575 -4.009 12.102 4.382 289 HE22 GLN 575 2HE2 GLN 575 -5.424 12.286 5.356 290 H LEU 576 HN LEU 576 -2.549 7.539 1.725 291 HA LEU 576 HA LEU 576 0.069 8.496 2.664 292 HB2 LEU 576 3HB LEU 576 -2.043 7.297 4.204 293 HB3 LEU 576 2HB LEU 576 -0.622 6.239 4.195 294 HG LEU 576 HG LEU 576 -0.740 9.099 5.146 295 HD11 LEU 576 1HD1 LEU 576 -1.249 6.624 6.426 296 HD12 LEU 576 2HD1 LEU 576 -1.187 8.237 7.136 297 HD13 LEU 576 3HD1 LEU 576 0.275 7.254 7.051 298 HD21 LEU 576 3HD2 LEU 576 1.403 9.088 4.405 299 HD22 LEU 576 1HD2 LEU 576 1.528 7.330 4.449 300 HD23 LEU 576 2HD2 LEU 576 1.666 8.261 5.941 301 H LEU 577 HN LEU 577 1.565 7.615 1.408 302 HA LEU 577 HA LEU 577 1.227 4.805 0.585 303 HB2 LEU 577 3HB LEU 577 2.246 7.189 -0.926 304 HB3 LEU 577 2HB LEU 577 2.782 5.554 -1.351 305 HG LEU 577 HG LEU 577 0.994 6.222 -2.817 306 HD11 LEU 577 1HD1 LEU 577 1.137 3.861 -1.611 307 HD12 LEU 577 2HD1 LEU 577 -0.144 4.259 -2.756 308 HD13 LEU 577 3HD1 LEU 577 -0.450 4.359 -1.022 309 HD21 LEU 577 3HD2 LEU 577 -0.876 6.424 -0.484 310 HD22 LEU 577 1HD2 LEU 577 -1.092 7.001 -2.137 311 HD23 LEU 577 2HD2 LEU 577 0.028 7.828 -1.054 312 H ASP 578 HN ASP 578 2.453 3.846 2.149 313 HA ASP 578 HA ASP 578 5.315 4.532 2.138 314 HB2 ASP 578 3HB ASP 578 3.484 4.653 4.350 315 HB3 ASP 578 2HB ASP 578 4.687 3.393 4.655 316 HD2 ASP 578 HD ASP 578 6.857 5.831 5.654 317 HA PRO 579 HA PRO 579 6.105 0.288 1.356 318 HB2 PRO 579 3HB PRO 579 8.491 -0.067 2.653 319 HB3 PRO 579 2HB PRO 579 8.323 0.857 1.162 320 HG2 PRO 579 3HG PRO 579 8.417 1.827 4.000 321 HG3 PRO 579 2HG PRO 579 9.274 2.465 2.546 322 HD2 PRO 579 3HD PRO 579 7.045 3.633 3.563 323 HD3 PRO 579 2HD PRO 579 7.408 3.612 1.829 324 H GLN 580 HN GLN 580 6.703 1.197 4.751 325 HA GLN 580 HA GLN 580 6.166 -1.475 5.684 326 HB2 GLN 580 3HB GLN 580 6.827 1.143 7.001 327 HB3 GLN 580 2HB GLN 580 6.256 -0.228 7.966 328 HG2 GLN 580 3HG GLN 580 8.248 -1.202 7.933 329 HG3 GLN 580 2HG GLN 580 8.358 -1.042 6.174 330 HE21 GLN 580 1HE2 GLN 580 9.395 0.732 5.282 331 HE22 GLN 580 2HE2 GLN 580 10.414 1.772 6.211 332 H GLN 581 HN GLN 581 4.531 1.671 5.856 333 HA GLN 581 HA GLN 581 2.360 1.006 7.414 334 HB2 GLN 581 3HB GLN 581 2.566 2.870 5.046 335 HB3 GLN 581 2HB GLN 581 1.120 2.759 6.061 336 HG2 GLN 581 3HG GLN 581 2.361 3.470 8.007 337 HG3 GLN 581 2HG GLN 581 3.863 3.471 7.073 338 HE21 GLN 581 1HE2 GLN 581 4.446 5.535 6.994 339 HE22 GLN 581 2HE2 GLN 581 3.455 6.835 6.433 340 H LEU 582 HN LEU 582 2.559 0.797 3.861 341 HA LEU 582 HA LEU 582 0.057 -0.254 3.355 342 HB2 LEU 582 3HB LEU 582 2.709 -0.648 1.987 343 HB3 LEU 582 2HB LEU 582 1.218 -1.384 1.374 344 HG LEU 582 HG LEU 582 1.481 1.583 1.790 345 HD11 LEU 582 1HD1 LEU 582 1.639 0.972 -0.950 346 HD12 LEU 582 2HD1 LEU 582 2.843 -0.029 -0.139 347 HD13 LEU 582 3HD1 LEU 582 2.868 1.722 0.069 348 HD21 LEU 582 3HD2 LEU 582 -0.774 0.939 1.570 349 HD22 LEU 582 1HD2 LEU 582 -0.404 -0.213 0.287 350 HD23 LEU 582 2HD2 LEU 582 -0.292 1.520 -0.025 351 H ALA 583 HN ALA 583 2.882 -1.821 4.656 352 HA ALA 583 HA ALA 583 2.118 -4.503 4.214 353 HB1 ALA 583 1HB ALA 583 4.402 -3.603 4.905 354 HB2 ALA 583 2HB ALA 583 3.766 -3.584 6.550 355 HB3 ALA 583 3HB ALA 583 3.863 -5.103 5.660 356 H ALA 584 HN ALA 584 1.461 -2.230 6.832 357 HA ALA 584 HA ALA 584 0.331 -4.007 8.672 358 HB1 ALA 584 1HB ALA 584 -0.829 -2.002 9.580 359 HB2 ALA 584 2HB ALA 584 0.903 -1.776 9.338 360 HB3 ALA 584 3HB ALA 584 -0.245 -1.088 8.189 361 H GLU 585 HN GLU 585 -1.236 -2.066 6.131 362 HA GLU 585 HA GLU 585 -3.859 -2.934 6.635 363 HB2 GLU 585 3HB GLU 585 -2.438 -1.540 4.453 364 HB3 GLU 585 2HB GLU 585 -3.913 -2.391 3.973 365 HG2 GLU 585 3HG GLU 585 -3.696 -0.290 6.129 366 HG3 GLU 585 2HG GLU 585 -4.378 -0.071 4.510 367 HE2 GLU 585 HE GLU 585 -7.188 -2.085 5.423 368 H ILE 586 HN ILE 586 -1.372 -4.168 4.433 369 HA ILE 586 HA ILE 586 -2.932 -6.146 3.195 370 HB ILE 586 HB ILE 586 0.046 -6.135 3.698 371 HG12 ILE 586 1HG1 ILE 586 -1.308 -5.495 1.095 372 HG13 ILE 586 2HG1 ILE 586 -1.139 -4.245 2.338 373 HG21 ILE 586 1HG2 ILE 586 -0.647 -8.369 3.195 374 HG22 ILE 586 2HG2 ILE 586 -1.648 -7.810 1.856 375 HG23 ILE 586 3HG2 ILE 586 0.109 -7.693 1.752 376 HD11 ILE 586 3HD1 ILE 586 0.875 -5.397 0.558 377 HD12 ILE 586 1HD1 ILE 586 0.805 -3.812 1.328 378 HD13 ILE 586 2HD1 ILE 586 1.391 -5.208 2.234 379 H LEU 587 HN LEU 587 -1.027 -6.180 6.161 380 HA LEU 587 HA LEU 587 -1.018 -8.898 6.708 381 HB2 LEU 587 3HB LEU 587 -0.913 -6.420 8.356 382 HB3 LEU 587 2HB LEU 587 -1.201 -7.959 9.184 383 HG LEU 587 HG LEU 587 1.150 -7.572 7.354 384 HD11 LEU 587 1HD1 LEU 587 0.693 -6.223 9.811 385 HD12 LEU 587 2HD1 LEU 587 2.139 -6.221 8.802 386 HD13 LEU 587 3HD1 LEU 587 1.948 -7.436 10.067 387 HD21 LEU 587 3HD2 LEU 587 1.903 -9.555 8.165 388 HD22 LEU 587 1HD2 LEU 587 0.174 -9.831 8.372 389 HD23 LEU 587 2HD2 LEU 587 1.156 -9.322 9.746 390 H SER 588 HN SER 588 -3.515 -6.483 7.368 391 HA SER 588 HA SER 588 -5.233 -8.378 8.692 392 HB2 SER 588 1HB SER 588 -5.540 -6.212 9.505 393 HB3 SER 588 2HB SER 588 -5.479 -5.496 7.885 394 HG SER 588 HG SER 588 -7.582 -5.519 8.126 395 H TYR 589 HN TYR 589 -5.123 -6.783 5.533 396 HA TYR 589 HA TYR 589 -7.534 -7.705 4.496 397 HB2 TYR 589 3HB TYR 589 -6.222 -5.994 3.376 398 HB3 TYR 589 2HB TYR 589 -4.924 -7.152 3.071 399 HD1 TYR 589 1HD TYR 589 -8.628 -7.147 2.523 400 HD2 TYR 589 2HD TYR 589 -4.761 -7.784 0.867 401 HE1 TYR 589 1HE TYR 589 -9.656 -7.765 0.376 402 HE2 TYR 589 2HE TYR 589 -5.778 -8.403 -1.285 403 HH TYR 589 HH TYR 589 -7.979 -9.300 -2.090 404 H LYS 590 HN LYS 590 -4.361 -9.249 4.596 405 HA LYS 590 HA LYS 590 -5.127 -11.514 3.037 406 HB2 LYS 590 3HB LYS 590 -2.754 -10.541 3.585 407 HB3 LYS 590 2HB LYS 590 -2.871 -11.592 5.006 408 HG2 LYS 590 3HG LYS 590 -1.681 -12.749 3.269 409 HG3 LYS 590 2HG LYS 590 -3.259 -13.519 3.511 410 HD2 LYS 590 3HD LYS 590 -4.082 -12.821 1.489 411 HD3 LYS 590 2HD LYS 590 -3.056 -11.375 1.458 412 HE2 LYS 590 3HE LYS 590 -1.158 -12.584 0.763 413 HE3 LYS 590 2HE LYS 590 -1.891 -14.131 1.212 414 HZ1 LYS 590 3HZ LYS 590 -3.640 -13.326 -0.593 415 HZ2 LYS 590 1HZ LYS 590 -2.257 -14.211 -1.001 416 HZ3 LYS 590 2HZ LYS 590 -2.272 -12.531 -1.191 417 H SER 591 HN SER 591 -4.621 -11.009 6.525 418 HA SER 591 HA SER 591 -5.242 -13.567 7.402 419 HB2 SER 591 1HB SER 591 -4.319 -12.092 9.001 420 HB3 SER 591 2HB SER 591 -5.557 -10.861 8.694 421 HG SER 591 HG SER 591 -5.680 -13.147 10.266 422 H GLN 592 HN GLN 592 -7.353 -10.938 6.455 423 HA GLN 592 HA GLN 592 -9.757 -12.047 7.480 424 HB2 GLN 592 3HB GLN 592 -9.092 -9.910 5.479 425 HB3 GLN 592 2HB GLN 592 -10.764 -10.470 5.656 426 HG2 GLN 592 3HG GLN 592 -9.910 -10.014 8.264 427 HG3 GLN 592 2HG GLN 592 -9.231 -8.680 7.322 428 HE21 GLN 592 1HE2 GLN 592 -11.070 -8.155 5.462 429 HE22 GLN 592 2HE2 GLN 592 -12.566 -7.678 6.181 430 H HIS 593 HN HIS 593 -7.905 -12.570 4.597 431 HA HIS 593 HA HIS 593 -10.044 -14.298 3.540 432 HB2 HIS 593 3HB HIS 593 -7.886 -12.707 2.168 433 HB3 HIS 593 2HB HIS 593 -8.664 -14.072 1.361 434 HD1 HIS 593 1HD HIS 593 -9.852 -12.665 -0.404 435 HD2 HIS 593 2HD HIS 593 -10.796 -11.573 3.492 436 HE1 HIS 593 1HE HIS 593 -11.809 -11.098 -0.601 437 HE2 HIS 593 2HE HIS 593 -12.388 -10.431 1.781 438 H LEU 594 HN LEU 594 -8.386 -15.225 5.584 439 HA LEU 594 HA LEU 594 -6.480 -16.998 4.226 440 HB2 LEU 594 3HB LEU 594 -5.755 -15.572 6.181 441 HB3 LEU 594 2HB LEU 594 -6.806 -16.581 7.189 442 HG LEU 594 HG LEU 594 -5.428 -18.562 6.445 443 HD11 LEU 594 1HD1 LEU 594 -3.110 -16.921 5.846 444 HD12 LEU 594 2HD1 LEU 594 -4.382 -16.763 4.636 445 HD13 LEU 594 3HD1 LEU 594 -3.728 -18.354 5.024 446 HD21 LEU 594 3HD2 LEU 594 -4.961 -17.974 8.606 447 HD22 LEU 594 1HD2 LEU 594 -4.482 -16.333 8.174 448 HD23 LEU 594 2HD2 LEU 594 -3.388 -17.681 7.863 449 H SER 595 HN SER 595 -6.657 -19.196 4.308 450 HA SER 595 HA SER 595 -9.231 -20.308 4.671 451 HB2 SER 595 1HB SER 595 -7.297 -21.124 3.159 452 HB3 SER 595 2HB SER 595 -6.701 -21.941 4.613 453 HG SER 595 HG SER 595 -8.067 -23.451 4.129 454 H GLU 596 HN GLU 596 -9.123 -22.615 5.967 455 HA GLU 596 HA GLU 596 -8.602 -21.813 8.746 456 HB2 GLU 596 3HB GLU 596 -10.383 -24.049 7.753 457 HB3 GLU 596 2HB GLU 596 -10.282 -23.416 9.403 458 HG2 GLU 596 3HG GLU 596 -12.196 -22.400 8.670 459 HG3 GLU 596 2HG GLU 596 -10.983 -21.169 8.289 460 HE2 GLU 596 HE GLU 596 -12.613 -23.138 5.247 Start of MODEL 2 1 H1 GLY 540 HN GLY 540 -4.967 15.529 -9.564 2 HA2 GLY 540 2HA GLY 540 -4.702 17.835 -8.200 3 HA3 GLY 540 3HA GLY 540 -3.500 16.557 -8.093 4 HA PRO 541 HA PRO 541 -1.875 19.687 -11.413 5 HB2 PRO 541 3HB PRO 541 -3.224 22.061 -11.615 6 HB3 PRO 541 2HB PRO 541 -3.619 20.633 -12.572 7 HG2 PRO 541 3HG PRO 541 -4.878 21.634 -10.041 8 HG3 PRO 541 2HG PRO 541 -5.668 21.029 -11.545 9 HD2 PRO 541 3HD PRO 541 -5.410 19.508 -9.311 10 HD3 PRO 541 2HD PRO 541 -5.342 18.827 -10.946 11 H HIS 542 HN HIS 542 -3.268 20.828 -8.403 12 HA HIS 542 HA HIS 542 -1.076 22.723 -8.021 13 HB2 HIS 542 3HB HIS 542 -3.595 23.174 -7.515 14 HB3 HIS 542 2HB HIS 542 -3.281 22.259 -6.036 15 HD1 HIS 542 1HD HIS 542 -4.055 25.070 -5.558 16 HD2 HIS 542 2HD HIS 542 -0.107 23.986 -6.267 17 HE1 HIS 542 1HE HIS 542 -2.663 26.922 -4.581 18 HE2 HIS 542 2HE HIS 542 -0.249 26.261 -5.013 19 H MET 543 HN MET 543 -2.705 20.301 -5.964 20 HA MET 543 HA MET 543 -0.196 19.887 -4.531 21 HB2 MET 543 3HB MET 543 -2.935 18.728 -3.964 22 HB3 MET 543 2HB MET 543 -1.526 18.687 -2.894 23 HG2 MET 543 3HG MET 543 -2.984 21.182 -3.771 24 HG3 MET 543 2HG MET 543 -3.159 20.373 -2.212 25 HE1 MET 543 3HE MET 543 -1.185 22.123 -0.063 26 HE2 MET 543 1HE MET 543 -1.968 23.329 -1.085 27 HE3 MET 543 2HE MET 543 -2.788 21.808 -0.728 28 H GLY 544 HN GLY 544 1.145 18.461 -5.444 29 HA2 GLY 544 2HA GLY 544 0.143 15.778 -5.992 30 HA3 GLY 544 3HA GLY 544 0.866 16.632 -7.348 31 H ASP 545 HN ASP 545 2.048 17.126 -4.116 32 HA ASP 545 HA ASP 545 4.689 16.387 -4.844 33 HB2 ASP 545 3HB ASP 545 3.763 16.609 -1.988 34 HB3 ASP 545 2HB ASP 545 5.323 17.059 -2.692 35 HD2 ASP 545 HD ASP 545 2.528 19.760 -2.520 36 H LEU 546 HN LEU 546 2.067 14.738 -3.207 37 HA LEU 546 HA LEU 546 3.451 12.621 -2.051 38 HB2 LEU 546 3HB LEU 546 0.673 13.000 -3.080 39 HB3 LEU 546 2HB LEU 546 1.208 11.371 -2.634 40 HG LEU 546 HG LEU 546 -0.048 12.545 -0.845 41 HD11 LEU 546 1HD1 LEU 546 2.792 12.101 0.016 42 HD12 LEU 546 2HD1 LEU 546 1.745 10.771 -0.480 43 HD13 LEU 546 3HD1 LEU 546 1.303 11.772 0.903 44 HD21 LEU 546 3HD2 LEU 546 2.364 14.266 -0.427 45 HD22 LEU 546 1HD2 LEU 546 0.732 14.454 0.214 46 HD23 LEU 546 2HD2 LEU 546 1.055 14.794 -1.486 47 H ALA 547 HN ALA 547 2.726 13.268 -5.369 48 HA ALA 547 HA ALA 547 2.792 10.762 -6.527 49 HB1 ALA 547 1HB ALA 547 3.905 13.360 -7.573 50 HB2 ALA 547 2HB ALA 547 3.688 11.904 -8.545 51 HB3 ALA 547 3HB ALA 547 2.287 12.708 -7.836 52 H LYS 548 HN LYS 548 5.459 12.740 -5.365 53 HA LYS 548 HA LYS 548 7.539 11.155 -6.472 54 HB2 LYS 548 3HB LYS 548 7.800 13.517 -5.719 55 HB3 LYS 548 2HB LYS 548 7.654 12.955 -4.046 56 HG2 LYS 548 3HG LYS 548 9.705 11.855 -4.087 57 HG3 LYS 548 2HG LYS 548 9.753 11.834 -5.860 58 HD2 LYS 548 3HD LYS 548 11.286 13.501 -5.335 59 HD3 LYS 548 2HD LYS 548 9.802 14.414 -5.660 60 HE2 LYS 548 3HE LYS 548 10.478 15.397 -3.689 61 HE3 LYS 548 2HE LYS 548 9.409 14.120 -3.087 62 HZ1 LYS 548 3HZ LYS 548 11.439 12.716 -2.832 63 HZ2 LYS 548 1HZ LYS 548 11.385 14.061 -1.807 64 HZ3 LYS 548 2HZ LYS 548 12.373 14.082 -3.180 65 H GLU 549 HN GLU 549 5.680 11.007 -3.516 66 HA GLU 549 HA GLU 549 7.364 9.231 -2.096 67 HB2 GLU 549 3HB GLU 549 4.717 10.395 -1.782 68 HB3 GLU 549 2HB GLU 549 4.769 8.714 -1.230 69 HG2 GLU 549 3HG GLU 549 6.344 9.153 0.419 70 HG3 GLU 549 2HG GLU 549 6.855 10.663 -0.350 71 HE2 GLU 549 HE GLU 549 4.601 12.471 1.478 72 H ARG 550 HN ARG 550 4.275 8.571 -3.761 73 HA ARG 550 HA ARG 550 4.308 5.818 -3.581 74 HB2 ARG 550 3HB ARG 550 2.362 7.029 -4.367 75 HB3 ARG 550 2HB ARG 550 3.238 7.550 -5.814 76 HG2 ARG 550 3HG ARG 550 3.135 5.470 -6.812 77 HG3 ARG 550 2HG ARG 550 2.904 4.637 -5.265 78 HD2 ARG 550 3HD ARG 550 0.825 4.590 -6.489 79 HD3 ARG 550 2HD ARG 550 0.655 5.658 -5.088 80 HE ARG 550 HE ARG 550 0.239 7.377 -6.523 81 HH11 ARG 550 1HH1 ARG 550 1.924 4.873 -8.258 82 HH12 ARG 550 2HH1 ARG 550 1.797 5.669 -9.791 83 HH21 ARG 550 1HH2 ARG 550 0.063 8.434 -8.536 84 HH22 ARG 550 2HH2 ARG 550 0.739 7.695 -9.948 85 H ALA 551 HN ALA 551 5.907 7.901 -5.931 86 HA ALA 551 HA ALA 551 6.707 6.045 -7.815 87 HB1 ALA 551 1HB ALA 551 8.859 7.866 -7.381 88 HB2 ALA 551 2HB ALA 551 7.662 7.852 -8.677 89 HB3 ALA 551 3HB ALA 551 7.331 8.725 -7.182 90 H GLY 552 HN GLY 552 8.680 7.169 -5.052 91 HA2 GLY 552 2HA GLY 552 10.620 5.106 -5.391 92 HA3 GLY 552 3HA GLY 552 10.485 6.187 -4.014 93 H VAL 553 HN VAL 553 8.004 5.592 -3.031 94 HA VAL 553 HA VAL 553 8.438 3.399 -1.415 95 HB VAL 553 HB VAL 553 5.777 4.552 -2.265 96 HG11 VAL 553 1HG1 VAL 553 6.521 2.622 -0.084 97 HG12 VAL 553 2HG1 VAL 553 5.046 3.591 -0.027 98 HG13 VAL 553 3HG1 VAL 553 5.297 2.441 -1.341 99 HG21 VAL 553 3HG2 VAL 553 6.234 6.279 -0.944 100 HG22 VAL 553 1HG2 VAL 553 6.586 5.197 0.404 101 HG23 VAL 553 2HG2 VAL 553 7.866 5.647 -0.724 102 H TYR 554 HN TYR 554 6.267 3.526 -4.245 103 HA TYR 554 HA TYR 554 5.479 0.885 -4.292 104 HB2 TYR 554 3HB TYR 554 4.483 2.554 -5.747 105 HB3 TYR 554 2HB TYR 554 6.002 2.736 -6.626 106 HD1 TYR 554 1HD TYR 554 6.790 0.996 -8.165 107 HD2 TYR 554 2HD TYR 554 3.040 0.656 -6.183 108 HE1 TYR 554 1HE TYR 554 6.122 -0.768 -9.744 109 HE2 TYR 554 2HE TYR 554 2.363 -1.109 -7.756 110 HH TYR 554 HH TYR 554 3.131 -1.699 -10.302 111 H THR 555 HN THR 555 8.435 2.328 -5.558 112 HA THR 555 HA THR 555 9.431 0.191 -7.024 113 HB THR 555 HB THR 555 11.150 2.014 -5.342 114 HG1 THR 555 1HG THR 555 9.728 2.500 -7.741 115 HG21 THR 555 3HG2 THR 555 12.166 0.053 -6.586 116 HG22 THR 555 1HG2 THR 555 12.831 1.639 -6.972 117 HG23 THR 555 2HG2 THR 555 11.691 0.869 -8.075 118 H LYS 556 HN LYS 556 9.832 0.906 -3.568 119 HA LYS 556 HA LYS 556 11.369 -1.469 -3.083 120 HB2 LYS 556 3HB LYS 556 10.331 0.803 -1.483 121 HB3 LYS 556 2HB LYS 556 10.590 -0.717 -0.612 122 HG2 LYS 556 3HG LYS 556 12.622 0.312 -0.322 123 HG3 LYS 556 2HG LYS 556 12.923 -0.663 -1.773 124 HD2 LYS 556 3HD LYS 556 12.531 1.262 -3.203 125 HD3 LYS 556 2HD LYS 556 12.117 2.247 -1.788 126 HE2 LYS 556 3HE LYS 556 14.414 1.840 -0.895 127 HE3 LYS 556 2HE LYS 556 14.798 1.017 -2.415 128 HZ1 LYS 556 3HZ LYS 556 13.718 3.438 -3.152 129 HZ2 LYS 556 1HZ LYS 556 15.350 2.994 -3.214 130 HZ3 LYS 556 2HZ LYS 556 14.745 3.800 -1.856 131 H LEU 557 HN LEU 557 8.004 -0.516 -2.780 132 HA LEU 557 HA LEU 557 7.042 -2.599 -1.208 133 HB2 LEU 557 3HB LEU 557 5.885 -0.779 -3.254 134 HB3 LEU 557 2HB LEU 557 4.945 -2.214 -2.809 135 HG LEU 557 HG LEU 557 5.929 -0.196 -0.801 136 HD11 LEU 557 1HD1 LEU 557 4.272 0.595 -2.655 137 HD12 LEU 557 2HD1 LEU 557 3.972 0.997 -0.964 138 HD13 LEU 557 3HD1 LEU 557 3.097 -0.333 -1.724 139 HD21 LEU 557 3HD2 LEU 557 4.249 -2.644 -0.724 140 HD22 LEU 557 1HD2 LEU 557 3.810 -1.302 0.333 141 HD23 LEU 557 2HD2 LEU 557 5.413 -2.029 0.452 142 H CYS 558 HN CYS 558 7.999 -2.559 -4.553 143 HA CYS 558 HA CYS 558 6.700 -4.941 -5.362 144 HB2 CYS 558 3HB CYS 558 9.020 -3.347 -6.408 145 HB3 CYS 558 2HB CYS 558 8.598 -4.905 -7.140 146 HG CYS 558 HG CYS 558 6.560 -2.159 -6.993 147 H GLY 559 HN GLY 559 9.463 -4.339 -3.429 148 HA2 GLY 559 2HA GLY 559 10.467 -7.073 -3.817 149 HA3 GLY 559 3HA GLY 559 11.329 -5.767 -3.016 150 H VAL 560 HN VAL 560 8.498 -5.298 -1.713 151 HA VAL 560 HA VAL 560 9.021 -7.133 0.522 152 HB VAL 560 HB VAL 560 7.325 -4.639 0.587 153 HG11 VAL 560 1HG1 VAL 560 7.699 -4.808 3.019 154 HG12 VAL 560 2HG1 VAL 560 6.846 -6.209 2.367 155 HG13 VAL 560 3HG1 VAL 560 8.562 -6.324 2.761 156 HG21 VAL 560 3HG2 VAL 560 10.203 -4.916 0.499 157 HG22 VAL 560 1HG2 VAL 560 9.208 -3.462 0.429 158 HG23 VAL 560 2HG2 VAL 560 9.671 -4.139 1.990 159 H PHE 561 HN PHE 561 6.670 -6.220 -1.851 160 HA PHE 561 HA PHE 561 5.037 -8.497 -1.167 161 HB2 PHE 561 3HB PHE 561 4.101 -5.673 -0.734 162 HB3 PHE 561 2HB PHE 561 2.946 -6.931 -1.184 163 HD1 PHE 561 1HD PHE 561 2.731 -8.977 0.273 164 HD2 PHE 561 2HD PHE 561 4.830 -5.481 1.493 165 HE1 PHE 561 1HE PHE 561 2.556 -9.696 2.621 166 HE2 PHE 561 2HE PHE 561 4.659 -6.194 3.842 167 HZ PHE 561 HZ PHE 561 3.522 -8.303 4.408 168 HA PRO 562 HA PRO 562 4.208 -8.519 -5.473 169 HB2 PRO 562 3HB PRO 562 1.668 -9.536 -5.574 170 HB3 PRO 562 2HB PRO 562 3.083 -10.496 -5.148 171 HG2 PRO 562 3HG PRO 562 1.077 -9.166 -3.358 172 HG3 PRO 562 2HG PRO 562 1.767 -10.829 -3.260 173 HD2 PRO 562 3HD PRO 562 2.626 -8.792 -1.684 174 HD3 PRO 562 2HD PRO 562 3.703 -10.074 -2.264 175 HA PRO 563 HA PRO 563 1.998 -4.975 -6.850 176 HB2 PRO 563 3HB PRO 563 0.965 -5.794 -9.250 177 HB3 PRO 563 2HB PRO 563 2.680 -5.484 -8.984 178 HG2 PRO 563 3HG PRO 563 1.190 -8.087 -8.939 179 HG3 PRO 563 2HG PRO 563 2.763 -7.686 -9.724 180 HD2 PRO 563 3HD PRO 563 2.600 -9.014 -7.362 181 HD3 PRO 563 2HD PRO 563 3.917 -7.890 -7.740 182 H HIS 564 HN HIS 564 0.088 -7.952 -7.299 183 HA HIS 564 HA HIS 564 -2.435 -6.804 -7.437 184 HB2 HIS 564 3HB HIS 564 -3.291 -8.931 -7.201 185 HB3 HIS 564 2HB HIS 564 -1.634 -9.294 -7.693 186 HD1 HIS 564 1HD HIS 564 -0.045 -10.310 -5.925 187 HD2 HIS 564 2HD HIS 564 -3.910 -9.643 -4.555 188 HE1 HIS 564 1HE HIS 564 -0.211 -11.557 -3.748 189 HE2 HIS 564 2HE HIS 564 -2.573 -11.151 -2.909 190 H LEU 565 HN LEU 565 -0.346 -7.242 -4.715 191 HA LEU 565 HA LEU 565 -2.428 -6.859 -2.750 192 HB2 LEU 565 3HB LEU 565 0.475 -7.421 -2.743 193 HB3 LEU 565 2HB LEU 565 -0.140 -6.486 -1.369 194 HG LEU 565 HG LEU 565 -1.082 -9.228 -2.206 195 HD11 LEU 565 1HD1 LEU 565 0.807 -9.818 -1.145 196 HD12 LEU 565 2HD1 LEU 565 -0.124 -9.467 0.311 197 HD13 LEU 565 3HD1 LEU 565 0.975 -8.254 -0.347 198 HD21 LEU 565 3HD2 LEU 565 -2.166 -7.203 -0.373 199 HD22 LEU 565 1HD2 LEU 565 -2.015 -8.825 0.305 200 HD23 LEU 565 2HD2 LEU 565 -2.961 -8.567 -1.162 201 H VAL 566 HN VAL 566 0.525 -5.033 -3.581 202 HA VAL 566 HA VAL 566 -0.067 -2.728 -2.149 203 HB VAL 566 HB VAL 566 1.482 -2.950 -4.734 204 HG11 VAL 566 1HG1 VAL 566 2.586 -0.864 -3.949 205 HG12 VAL 566 2HG1 VAL 566 0.883 -0.655 -4.365 206 HG13 VAL 566 3HG1 VAL 566 1.374 -0.753 -2.673 207 HG21 VAL 566 3HG2 VAL 566 3.158 -3.831 -3.564 208 HG22 VAL 566 1HG2 VAL 566 3.031 -2.578 -2.329 209 HG23 VAL 566 2HG2 VAL 566 2.031 -4.028 -2.222 210 H GLU 567 HN GLU 567 -0.697 -3.405 -5.590 211 HA GLU 567 HA GLU 567 -1.890 -1.021 -6.300 212 HB2 GLU 567 3HB GLU 567 -2.424 -3.846 -7.222 213 HB3 GLU 567 2HB GLU 567 -3.200 -2.438 -7.965 214 HG2 GLU 567 3HG GLU 567 -0.999 -1.522 -8.541 215 HG3 GLU 567 2HG GLU 567 -0.239 -2.954 -7.831 216 HE2 GLU 567 HE GLU 567 -0.908 -3.302 -11.488 217 H ALA 568 HN ALA 568 -3.183 -3.649 -4.415 218 HA ALA 568 HA ALA 568 -5.903 -2.674 -4.533 219 HB1 ALA 568 1HB ALA 568 -6.461 -4.518 -3.118 220 HB2 ALA 568 2HB ALA 568 -5.332 -5.095 -4.346 221 HB3 ALA 568 3HB ALA 568 -4.766 -4.782 -2.705 222 H VAL 569 HN VAL 569 -3.544 -3.136 -1.890 223 HA VAL 569 HA VAL 569 -4.922 -1.807 0.106 224 HB VAL 569 HB VAL 569 -1.923 -1.769 -0.240 225 HG11 VAL 569 1HG1 VAL 569 -3.568 -1.717 2.284 226 HG12 VAL 569 2HG1 VAL 569 -1.821 -1.515 2.135 227 HG13 VAL 569 3HG1 VAL 569 -2.911 -0.279 1.505 228 HG21 VAL 569 3HG2 VAL 569 -3.749 -3.970 0.231 229 HG22 VAL 569 1HG2 VAL 569 -2.023 -3.992 -0.127 230 HG23 VAL 569 2HG2 VAL 569 -2.576 -3.794 1.535 231 H MET 570 HN MET 570 -2.922 -0.502 -2.470 232 HA MET 570 HA MET 570 -2.592 2.104 -1.531 233 HB2 MET 570 3HB MET 570 -2.654 0.851 -4.251 234 HB3 MET 570 2HB MET 570 -2.613 2.614 -4.111 235 HG2 MET 570 3HG MET 570 -0.613 2.005 -2.427 236 HG3 MET 570 2HG MET 570 -0.524 0.620 -3.519 237 HE1 MET 570 3HE MET 570 2.377 2.349 -4.406 238 HE2 MET 570 1HE MET 570 1.846 3.894 -3.743 239 HE3 MET 570 2HE MET 570 1.567 2.406 -2.840 240 H ARG 571 HN ARG 571 -5.366 0.516 -2.873 241 HA ARG 571 HA ARG 571 -6.808 2.885 -3.564 242 HB2 ARG 571 3HB ARG 571 -7.210 0.589 -4.520 243 HB3 ARG 571 2HB ARG 571 -7.952 0.155 -2.974 244 HG2 ARG 571 3HG ARG 571 -9.221 2.522 -3.711 245 HG3 ARG 571 2HG ARG 571 -9.072 1.589 -5.210 246 HD2 ARG 571 3HD ARG 571 -9.974 -0.400 -3.859 247 HD3 ARG 571 2HD ARG 571 -10.432 0.807 -2.649 248 HE ARG 571 HE ARG 571 -12.198 1.372 -3.969 249 HH11 ARG 571 1HH1 ARG 571 -9.789 -0.172 -5.952 250 HH12 ARG 571 2HH1 ARG 571 -10.770 -0.164 -7.380 251 HH21 ARG 571 1HH2 ARG 571 -13.500 1.387 -5.842 252 HH22 ARG 571 2HH2 ARG 571 -12.881 0.724 -7.316 253 H ARG 572 HN ARG 572 -5.957 1.555 -0.629 254 HA ARG 572 HA ARG 572 -8.359 2.483 0.760 255 HB2 ARG 572 3HB ARG 572 -7.373 0.245 1.293 256 HB3 ARG 572 2HB ARG 572 -5.941 1.084 1.910 257 HG2 ARG 572 3HG ARG 572 -6.945 1.709 3.827 258 HG3 ARG 572 2HG ARG 572 -8.509 1.973 3.036 259 HD2 ARG 572 3HD ARG 572 -9.080 0.116 4.211 260 HD3 ARG 572 2HD ARG 572 -8.372 -0.684 2.800 261 HE ARG 572 HE ARG 572 -6.247 -0.396 4.430 262 HH11 ARG 572 1HH1 ARG 572 -9.450 -1.665 4.928 263 HH12 ARG 572 2HH1 ARG 572 -8.954 -2.795 6.145 264 HH21 ARG 572 1HH2 ARG 572 -5.582 -1.879 6.031 265 HH22 ARG 572 2HH2 ARG 572 -6.755 -2.915 6.771 266 H PHE 573 HN PHE 573 -4.888 3.082 0.550 267 HA PHE 573 HA PHE 573 -5.277 5.526 2.148 268 HB2 PHE 573 3HB PHE 573 -2.863 3.733 1.831 269 HB3 PHE 573 2HB PHE 573 -2.757 5.358 2.515 270 HD1 PHE 573 2HD PHE 573 -4.653 2.183 2.971 271 HD2 PHE 573 1HD PHE 573 -2.984 5.653 4.786 272 HE1 PHE 573 2HE PHE 573 -5.261 1.311 5.190 273 HE2 PHE 573 1HE PHE 573 -3.588 4.785 7.008 274 HZ PHE 573 HZ PHE 573 -4.730 2.613 7.212 275 HA PRO 574 HA PRO 574 -4.303 6.825 -2.200 276 HB2 PRO 574 3HB PRO 574 -6.201 8.797 -2.291 277 HB3 PRO 574 2HB PRO 574 -6.529 7.111 -2.687 278 HG2 PRO 574 3HG PRO 574 -6.999 8.587 -0.119 279 HG3 PRO 574 2HG PRO 574 -8.092 7.456 -1.001 280 HD2 PRO 574 3HD PRO 574 -6.652 6.705 1.176 281 HD3 PRO 574 2HD PRO 574 -7.009 5.601 -0.164 282 H GLN 575 HN GLN 575 -4.242 8.185 0.911 283 HA GLN 575 HA GLN 575 -2.814 10.564 -0.075 284 HB2 GLN 575 3HB GLN 575 -3.448 11.736 1.889 285 HB3 GLN 575 2HB GLN 575 -4.907 10.926 1.299 286 HG2 GLN 575 3HG GLN 575 -4.599 9.143 2.951 287 HG3 GLN 575 2HG GLN 575 -3.150 9.966 3.547 288 HE21 GLN 575 1HE2 GLN 575 -6.620 10.382 3.069 289 HE22 GLN 575 2HE2 GLN 575 -6.859 11.450 4.406 290 H LEU 576 HN LEU 576 -2.475 7.609 1.531 291 HA LEU 576 HA LEU 576 0.204 8.395 2.463 292 HB2 LEU 576 3HB LEU 576 -1.988 7.329 3.979 293 HB3 LEU 576 2HB LEU 576 -0.645 6.172 3.970 294 HG LEU 576 HG LEU 576 -0.565 9.026 4.943 295 HD11 LEU 576 1HD1 LEU 576 0.105 7.778 7.074 296 HD12 LEU 576 2HD1 LEU 576 -0.561 6.347 6.290 297 HD13 LEU 576 3HD1 LEU 576 -1.592 7.744 6.600 298 HD21 LEU 576 3HD2 LEU 576 1.570 7.124 4.212 299 HD22 LEU 576 1HD2 LEU 576 1.768 7.969 5.747 300 HD23 LEU 576 2HD2 LEU 576 1.582 8.887 4.253 301 H LEU 577 HN LEU 577 1.745 7.341 1.416 302 HA LEU 577 HA LEU 577 1.238 4.578 0.548 303 HB2 LEU 577 3HB LEU 577 2.445 6.840 -1.037 304 HB3 LEU 577 2HB LEU 577 2.686 5.137 -1.464 305 HG LEU 577 HG LEU 577 0.961 5.993 -2.859 306 HD11 LEU 577 1HD1 LEU 577 -0.653 4.579 -0.790 307 HD12 LEU 577 2HD1 LEU 577 0.686 3.738 -1.570 308 HD13 LEU 577 3HD1 LEU 577 -0.639 4.377 -2.541 309 HD21 LEU 577 3HD2 LEU 577 -0.548 7.527 -2.260 310 HD22 LEU 577 1HD2 LEU 577 0.416 7.719 -0.796 311 HD23 LEU 577 2HD2 LEU 577 -0.988 6.652 -0.793 312 H ASP 578 HN ASP 578 2.459 3.600 2.099 313 HA ASP 578 HA ASP 578 5.340 4.201 2.044 314 HB2 ASP 578 3HB ASP 578 3.489 4.097 4.339 315 HB3 ASP 578 2HB ASP 578 4.992 3.189 4.556 316 HD2 ASP 578 HD ASP 578 5.526 7.066 3.877 317 HA PRO 579 HA PRO 579 5.976 -0.067 1.245 318 HB2 PRO 579 3HB PRO 579 8.411 -0.464 2.432 319 HB3 PRO 579 2HB PRO 579 8.194 0.447 0.938 320 HG2 PRO 579 3HG PRO 579 8.447 1.446 3.756 321 HG3 PRO 579 2HG PRO 579 9.247 2.048 2.256 322 HD2 PRO 579 3HD PRO 579 7.095 3.278 3.364 323 HD3 PRO 579 2HD PRO 579 7.374 3.230 1.615 324 H GLN 580 HN GLN 580 6.859 0.812 4.591 325 HA GLN 580 HA GLN 580 6.215 -1.823 5.561 326 HB2 GLN 580 3HB GLN 580 7.120 0.739 6.859 327 HB3 GLN 580 2HB GLN 580 6.608 -0.653 7.827 328 HG2 GLN 580 3HG GLN 580 8.735 -1.301 7.741 329 HG3 GLN 580 2HG GLN 580 8.377 -1.783 6.076 330 HE21 GLN 580 1HE2 GLN 580 8.923 1.345 7.661 331 HE22 GLN 580 2HE2 GLN 580 10.174 1.863 6.588 332 H GLN 581 HN GLN 581 4.888 1.442 6.078 333 HA GLN 581 HA GLN 581 2.791 0.885 7.734 334 HB2 GLN 581 3HB GLN 581 3.588 3.048 6.174 335 HB3 GLN 581 2HB GLN 581 1.949 2.685 5.614 336 HG2 GLN 581 3HG GLN 581 1.041 2.964 7.799 337 HG3 GLN 581 2HG GLN 581 2.658 3.060 8.509 338 HE21 GLN 581 1HE2 GLN 581 3.970 4.783 6.929 339 HE22 GLN 581 2HE2 GLN 581 3.219 6.339 6.958 340 H LEU 582 HN LEU 582 2.625 0.855 4.171 341 HA LEU 582 HA LEU 582 0.024 -0.023 3.884 342 HB2 LEU 582 3HB LEU 582 2.493 -0.426 2.220 343 HB3 LEU 582 2HB LEU 582 0.935 -1.122 1.737 344 HG LEU 582 HG LEU 582 1.469 1.820 2.146 345 HD11 LEU 582 1HD1 LEU 582 1.892 0.045 -0.119 346 HD12 LEU 582 2HD1 LEU 582 2.447 1.698 0.147 347 HD13 LEU 582 3HD1 LEU 582 0.832 1.403 -0.496 348 HD21 LEU 582 3HD2 LEU 582 -0.838 1.105 0.567 349 HD22 LEU 582 1HD2 LEU 582 -0.722 2.153 1.980 350 HD23 LEU 582 2HD2 LEU 582 -0.935 0.415 2.187 351 H ALA 583 HN ALA 583 2.945 -1.903 4.484 352 HA ALA 583 HA ALA 583 2.007 -4.468 4.056 353 HB1 ALA 583 1HB ALA 583 4.357 -3.718 4.667 354 HB2 ALA 583 2HB ALA 583 3.822 -3.775 6.346 355 HB3 ALA 583 3HB ALA 583 3.799 -5.240 5.364 356 H ALA 584 HN ALA 584 1.843 -2.557 7.053 357 HA ALA 584 HA ALA 584 0.648 -4.404 8.718 358 HB1 ALA 584 1HB ALA 584 1.367 -2.389 9.685 359 HB2 ALA 584 2HB ALA 584 0.393 -1.414 8.584 360 HB3 ALA 584 3HB ALA 584 -0.390 -2.370 9.842 361 H GLU 585 HN GLU 585 -0.796 -2.463 6.180 362 HA GLU 585 HA GLU 585 -3.501 -3.110 6.904 363 HB2 GLU 585 3HB GLU 585 -2.371 -1.942 4.349 364 HB3 GLU 585 2HB GLU 585 -4.089 -2.028 4.767 365 HG2 GLU 585 3HG GLU 585 -3.998 -0.218 6.070 366 HG3 GLU 585 2HG GLU 585 -2.473 -0.726 6.810 367 HE2 GLU 585 HE GLU 585 -2.013 1.235 3.387 368 H ILE 586 HN ILE 586 -1.081 -4.377 4.711 369 HA ILE 586 HA ILE 586 -2.763 -6.025 3.163 370 HB ILE 586 HB ILE 586 0.154 -6.419 3.842 371 HG12 ILE 586 1HG1 ILE 586 -1.007 -5.271 1.305 372 HG13 ILE 586 2HG1 ILE 586 -0.590 -4.248 2.690 373 HG21 ILE 586 1HG2 ILE 586 -0.511 -7.459 1.300 374 HG22 ILE 586 2HG2 ILE 586 0.041 -8.333 2.728 375 HG23 ILE 586 3HG2 ILE 586 -1.684 -8.092 2.455 376 HD11 ILE 586 3HD1 ILE 586 1.097 -5.058 0.631 377 HD12 ILE 586 1HD1 ILE 586 1.545 -4.224 2.119 378 HD13 ILE 586 2HD1 ILE 586 1.602 -5.986 2.043 379 H LEU 587 HN LEU 587 -0.772 -6.767 6.022 380 HA LEU 587 HA LEU 587 -1.354 -9.454 6.279 381 HB2 LEU 587 3HB LEU 587 -0.710 -7.296 8.259 382 HB3 LEU 587 2HB LEU 587 -1.109 -8.928 8.817 383 HG LEU 587 HG LEU 587 1.014 -8.671 6.757 384 HD11 LEU 587 1HD1 LEU 587 2.407 -8.498 9.126 385 HD12 LEU 587 2HD1 LEU 587 1.106 -7.327 9.332 386 HD13 LEU 587 3HD1 LEU 587 2.192 -7.203 7.949 387 HD21 LEU 587 3HD2 LEU 587 1.677 -10.690 7.541 388 HD22 LEU 587 1HD2 LEU 587 0.000 -10.760 8.082 389 HD23 LEU 587 2HD2 LEU 587 1.271 -10.299 9.214 390 H SER 588 HN SER 588 -3.284 -6.668 7.183 391 HA SER 588 HA SER 588 -5.243 -8.207 8.618 392 HB2 SER 588 1HB SER 588 -6.230 -6.200 9.154 393 HB3 SER 588 2HB SER 588 -4.598 -5.630 8.770 394 HG SER 588 HG SER 588 -6.870 -4.936 7.606 395 H TYR 589 HN TYR 589 -4.974 -6.779 5.399 396 HA TYR 589 HA TYR 589 -7.608 -7.376 4.558 397 HB2 TYR 589 3HB TYR 589 -6.357 -5.716 3.366 398 HB3 TYR 589 2HB TYR 589 -5.062 -6.864 3.014 399 HD1 TYR 589 1HD TYR 589 -8.714 -6.391 2.391 400 HD2 TYR 589 2HD TYR 589 -5.017 -7.943 0.965 401 HE1 TYR 589 1HE TYR 589 -9.791 -6.985 0.261 402 HE2 TYR 589 2HE TYR 589 -6.084 -8.539 -1.169 403 HH TYR 589 HH TYR 589 -8.074 -8.798 -2.223 404 H LYS 590 HN LYS 590 -4.647 -9.220 4.647 405 HA LYS 590 HA LYS 590 -5.564 -11.312 2.917 406 HB2 LYS 590 3HB LYS 590 -3.223 -10.967 4.774 407 HB3 LYS 590 2HB LYS 590 -3.569 -12.541 4.041 408 HG2 LYS 590 3HG LYS 590 -3.442 -10.179 2.239 409 HG3 LYS 590 2HG LYS 590 -1.927 -10.799 2.918 410 HD2 LYS 590 3HD LYS 590 -2.969 -13.126 2.141 411 HD3 LYS 590 2HD LYS 590 -3.804 -12.064 0.993 412 HE2 LYS 590 3HE LYS 590 -1.516 -11.079 0.448 413 HE3 LYS 590 2HE LYS 590 -0.842 -12.442 1.353 414 HZ1 LYS 590 3HZ LYS 590 -2.320 -12.471 -1.192 415 HZ2 LYS 590 1HZ LYS 590 -2.318 -13.847 -0.206 416 HZ3 LYS 590 2HZ LYS 590 -0.858 -13.227 -0.796 417 H SER 591 HN SER 591 -5.042 -11.088 6.436 418 HA SER 591 HA SER 591 -6.011 -13.602 7.122 419 HB2 SER 591 1HB SER 591 -4.814 -12.200 8.719 420 HB3 SER 591 2HB SER 591 -6.140 -11.023 8.706 421 HG SER 591 HG SER 591 -7.413 -12.407 9.800 422 H GLN 592 HN GLN 592 -7.707 -10.735 6.183 423 HA GLN 592 HA GLN 592 -10.216 -11.176 7.299 424 HB2 GLN 592 3HB GLN 592 -9.267 -9.800 4.807 425 HB3 GLN 592 2HB GLN 592 -11.002 -9.981 5.109 426 HG2 GLN 592 3HG GLN 592 -9.461 -8.936 7.383 427 HG3 GLN 592 2HG GLN 592 -9.498 -7.895 5.953 428 HE21 GLN 592 1HE2 GLN 592 -11.030 -6.434 6.057 429 HE22 GLN 592 2HE2 GLN 592 -12.598 -6.639 6.749 430 H HIS 593 HN HIS 593 -8.783 -12.476 4.346 431 HA HIS 593 HA HIS 593 -11.168 -14.152 3.961 432 HB2 HIS 593 3HB HIS 593 -8.964 -13.295 2.083 433 HB3 HIS 593 2HB HIS 593 -10.100 -14.588 1.680 434 HD1 HIS 593 1HD HIS 593 -11.738 -13.681 0.074 435 HD2 HIS 593 2HD HIS 593 -10.868 -10.957 3.087 436 HE1 HIS 593 1HE HIS 593 -13.232 -11.704 -0.356 437 HE2 HIS 593 2HE HIS 593 -12.701 -10.038 1.488 438 H LEU 594 HN LEU 594 -9.125 -14.671 5.970 439 HA LEU 594 HA LEU 594 -8.507 -17.405 5.188 440 HB2 LEU 594 3HB LEU 594 -6.539 -15.961 4.581 441 HB3 LEU 594 2HB LEU 594 -6.368 -15.605 6.308 442 HG LEU 594 HG LEU 594 -6.356 -18.456 5.435 443 HD11 LEU 594 1HD1 LEU 594 -4.377 -16.430 4.659 444 HD12 LEU 594 2HD1 LEU 594 -4.704 -18.023 3.979 445 HD13 LEU 594 3HD1 LEU 594 -3.714 -17.871 5.429 446 HD21 LEU 594 3HD2 LEU 594 -5.318 -16.808 7.691 447 HD22 LEU 594 1HD2 LEU 594 -4.497 -18.314 7.282 448 HD23 LEU 594 2HD2 LEU 594 -6.205 -18.332 7.721 449 H SER 595 HN SER 595 -9.240 -18.648 6.768 450 HA SER 595 HA SER 595 -9.107 -17.637 9.533 451 HB2 SER 595 1HB SER 595 -11.422 -17.942 8.437 452 HB3 SER 595 2HB SER 595 -11.109 -19.680 8.582 453 HG SER 595 HG SER 595 -11.788 -17.867 10.513 454 H GLU 596 HN GLU 596 -8.626 -19.131 11.189 455 HA GLU 596 HA GLU 596 -6.751 -21.149 10.417 456 HB2 GLU 596 3HB GLU 596 -7.899 -20.447 13.129 457 HB3 GLU 596 2HB GLU 596 -6.545 -21.554 12.852 458 HG2 GLU 596 3HG GLU 596 -5.154 -19.801 12.040 459 HG3 GLU 596 2HG GLU 596 -6.516 -18.672 12.001 460 HE2 GLU 596 HE GLU 596 -5.738 -17.670 15.172 Start of MODEL 3 1 H1 GLY 540 HN GLY 540 4.580 16.585 -16.569 2 HA2 GLY 540 2HA GLY 540 5.070 18.853 -16.627 3 HA3 GLY 540 3HA GLY 540 3.980 18.776 -18.003 4 HA PRO 541 HA PRO 541 1.104 21.424 -16.032 5 HB2 PRO 541 3HB PRO 541 -1.319 20.315 -16.659 6 HB3 PRO 541 2HB PRO 541 -0.291 21.133 -17.835 7 HG2 PRO 541 3HG PRO 541 -0.566 18.202 -17.265 8 HG3 PRO 541 2HG PRO 541 -0.518 19.056 -18.853 9 HD2 PRO 541 3HD PRO 541 1.631 17.756 -17.821 10 HD3 PRO 541 2HD PRO 541 1.781 19.223 -18.802 11 H HIS 542 HN HIS 542 0.879 18.017 -15.263 12 HA HIS 542 HA HIS 542 -0.917 18.271 -13.075 13 HB2 HIS 542 3HB HIS 542 1.031 16.135 -13.933 14 HB3 HIS 542 2HB HIS 542 0.094 15.989 -12.443 15 HD1 HIS 542 1HD HIS 542 -1.110 13.900 -13.471 16 HD2 HIS 542 2HD HIS 542 -1.809 17.478 -15.464 17 HE1 HIS 542 1HE HIS 542 -3.081 13.461 -14.969 18 HE2 HIS 542 2HE HIS 542 -3.510 15.648 -16.187 19 H MET 543 HN MET 543 -0.568 18.890 -11.039 20 HA MET 543 HA MET 543 2.208 19.397 -10.216 21 HB2 MET 543 3HB MET 543 -0.357 20.785 -9.781 22 HB3 MET 543 2HB MET 543 0.687 20.684 -8.356 23 HG2 MET 543 3HG MET 543 2.176 22.155 -9.164 24 HG3 MET 543 2HG MET 543 2.068 21.502 -10.802 25 HE1 MET 543 3HE MET 543 2.038 23.199 -12.239 26 HE2 MET 543 1HE MET 543 0.414 22.777 -12.783 27 HE3 MET 543 2HE MET 543 0.825 24.461 -12.455 28 H GLY 544 HN GLY 544 2.261 19.429 -7.622 29 HA2 GLY 544 2HA GLY 544 1.408 18.242 -5.655 30 HA3 GLY 544 3HA GLY 544 1.046 16.891 -6.720 31 H ASP 545 HN ASP 545 2.657 16.919 -4.297 32 HA ASP 545 HA ASP 545 5.293 16.229 -5.417 33 HB2 ASP 545 3HB ASP 545 5.919 16.350 -2.865 34 HB3 ASP 545 2HB ASP 545 5.785 17.829 -3.826 35 HD2 ASP 545 HD ASP 545 3.500 19.018 -1.591 36 H LEU 546 HN LEU 546 2.534 15.063 -3.689 37 HA LEU 546 HA LEU 546 3.506 12.833 -2.385 38 HB2 LEU 546 3HB LEU 546 0.914 13.575 -3.633 39 HB3 LEU 546 2HB LEU 546 1.164 11.867 -3.230 40 HG LEU 546 HG LEU 546 -0.044 13.031 -1.461 41 HD11 LEU 546 1HD1 LEU 546 2.386 12.697 0.041 42 HD12 LEU 546 2HD1 LEU 546 2.219 11.422 -1.166 43 HD13 LEU 546 3HD1 LEU 546 0.936 11.694 0.013 44 HD21 LEU 546 3HD2 LEU 546 2.429 14.672 -0.984 45 HD22 LEU 546 1HD2 LEU 546 0.835 14.849 -0.251 46 HD23 LEU 546 2HD2 LEU 546 1.074 15.257 -1.950 47 H ALA 547 HN ALA 547 3.024 13.350 -5.798 48 HA ALA 547 HA ALA 547 2.963 10.775 -6.788 49 HB1 ALA 547 1HB ALA 547 3.613 13.401 -7.816 50 HB2 ALA 547 2HB ALA 547 4.580 12.138 -8.580 51 HB3 ALA 547 3HB ALA 547 2.819 12.042 -8.612 52 H LYS 548 HN LYS 548 5.715 12.631 -5.624 53 HA LYS 548 HA LYS 548 7.756 10.925 -6.540 54 HB2 LYS 548 3HB LYS 548 7.741 13.333 -5.356 55 HB3 LYS 548 2HB LYS 548 8.129 12.331 -3.949 56 HG2 LYS 548 3HG LYS 548 10.201 11.815 -4.694 57 HG3 LYS 548 2HG LYS 548 9.694 11.801 -6.394 58 HD2 LYS 548 3HD LYS 548 9.491 14.330 -6.221 59 HD3 LYS 548 2HD LYS 548 10.338 14.185 -4.671 60 HE2 LYS 548 3HE LYS 548 12.312 13.408 -5.668 61 HE3 LYS 548 2HE LYS 548 11.472 12.960 -7.162 62 HZ1 LYS 548 3HZ LYS 548 12.864 15.257 -6.752 63 HZ2 LYS 548 1HZ LYS 548 11.258 15.756 -6.573 64 HZ3 LYS 548 2HZ LYS 548 11.750 14.989 -7.996 65 H GLU 549 HN GLU 549 6.075 11.070 -3.406 66 HA GLU 549 HA GLU 549 7.434 9.022 -2.115 67 HB2 GLU 549 3HB GLU 549 4.912 10.452 -1.777 68 HB3 GLU 549 2HB GLU 549 4.825 8.777 -1.211 69 HG2 GLU 549 3HG GLU 549 6.757 10.910 -0.308 70 HG3 GLU 549 2HG GLU 549 5.444 10.174 0.624 71 HE2 GLU 549 HE GLU 549 8.909 8.429 0.659 72 H ARG 550 HN ARG 550 4.334 8.771 -3.867 73 HA ARG 550 HA ARG 550 4.058 6.007 -3.696 74 HB2 ARG 550 3HB ARG 550 2.388 7.785 -4.516 75 HB3 ARG 550 2HB ARG 550 3.159 7.581 -6.096 76 HG2 ARG 550 3HG ARG 550 2.657 5.110 -5.897 77 HG3 ARG 550 2HG ARG 550 1.644 5.533 -4.507 78 HD2 ARG 550 3HD ARG 550 0.012 5.720 -6.056 79 HD3 ARG 550 2HD ARG 550 0.736 7.313 -6.322 80 HE ARG 550 HE ARG 550 1.989 5.325 -7.925 81 HH11 ARG 550 1HH1 ARG 550 -0.855 7.315 -7.676 82 HH12 ARG 550 2HH1 ARG 550 -1.157 7.325 -9.383 83 HH21 ARG 550 1HH2 ARG 550 1.604 5.331 -10.174 84 HH22 ARG 550 2HH2 ARG 550 0.242 6.196 -10.802 85 H ALA 551 HN ALA 551 6.096 7.936 -5.724 86 HA ALA 551 HA ALA 551 6.592 5.971 -7.727 87 HB1 ALA 551 1HB ALA 551 6.986 8.530 -7.796 88 HB2 ALA 551 2HB ALA 551 8.539 8.141 -7.058 89 HB3 ALA 551 3HB ALA 551 8.115 7.462 -8.629 90 H GLY 552 HN GLY 552 8.533 7.123 -4.959 91 HA2 GLY 552 2HA GLY 552 10.533 5.112 -5.290 92 HA3 GLY 552 3HA GLY 552 10.344 6.171 -3.901 93 H VAL 553 HN VAL 553 7.868 5.515 -2.967 94 HA VAL 553 HA VAL 553 8.318 3.293 -1.388 95 HB VAL 553 HB VAL 553 5.641 4.412 -2.229 96 HG11 VAL 553 1HG1 VAL 553 6.261 2.098 -0.728 97 HG12 VAL 553 2HG1 VAL 553 5.650 3.310 0.399 98 HG13 VAL 553 3HG1 VAL 553 4.682 2.835 -0.997 99 HG21 VAL 553 3HG2 VAL 553 5.909 6.073 -0.743 100 HG22 VAL 553 1HG2 VAL 553 6.685 5.018 0.438 101 HG23 VAL 553 2HG2 VAL 553 7.629 5.708 -0.881 102 H TYR 554 HN TYR 554 6.225 3.474 -4.269 103 HA TYR 554 HA TYR 554 5.405 0.847 -4.382 104 HB2 TYR 554 3HB TYR 554 4.519 2.586 -5.854 105 HB3 TYR 554 2HB TYR 554 6.066 2.679 -6.697 106 HD1 TYR 554 2HD TYR 554 6.770 0.951 -8.255 107 HD2 TYR 554 1HD TYR 554 3.026 0.691 -6.250 108 HE1 TYR 554 2HE TYR 554 6.052 -0.792 -9.834 109 HE2 TYR 554 1HE TYR 554 2.298 -1.055 -7.823 110 HH TYR 554 HH TYR 554 4.468 -2.260 -10.361 111 H THR 555 HN THR 555 8.396 2.267 -5.625 112 HA THR 555 HA THR 555 9.411 0.089 -7.011 113 HB THR 555 HB THR 555 11.087 1.987 -5.363 114 HG1 THR 555 1HG THR 555 9.912 3.342 -6.603 115 HG21 THR 555 3HG2 THR 555 12.747 0.776 -6.246 116 HG22 THR 555 1HG2 THR 555 12.313 1.492 -7.798 117 HG23 THR 555 2HG2 THR 555 11.650 -0.075 -7.333 118 H LYS 556 HN LYS 556 9.714 0.883 -3.567 119 HA LYS 556 HA LYS 556 11.282 -1.451 -2.985 120 HB2 LYS 556 3HB LYS 556 10.172 0.845 -1.481 121 HB3 LYS 556 2HB LYS 556 10.379 -0.653 -0.558 122 HG2 LYS 556 3HG LYS 556 12.393 0.408 -0.201 123 HG3 LYS 556 2HG LYS 556 12.765 -0.657 -1.569 124 HD2 LYS 556 3HD LYS 556 12.447 1.186 -3.134 125 HD3 LYS 556 2HD LYS 556 12.014 2.259 -1.792 126 HE2 LYS 556 3HE LYS 556 14.236 2.802 -2.065 127 HE3 LYS 556 2HE LYS 556 14.343 1.525 -0.845 128 HZ1 LYS 556 3HZ LYS 556 15.916 0.868 -2.359 129 HZ2 LYS 556 1HZ LYS 556 15.039 1.417 -3.698 130 HZ3 LYS 556 2HZ LYS 556 14.574 -0.004 -2.909 131 H LEU 557 HN LEU 557 7.890 -0.558 -2.798 132 HA LEU 557 HA LEU 557 6.916 -2.626 -1.220 133 HB2 LEU 557 3HB LEU 557 5.789 -0.892 -3.360 134 HB3 LEU 557 2HB LEU 557 4.862 -2.324 -2.880 135 HG LEU 557 HG LEU 557 5.760 -0.197 -0.942 136 HD11 LEU 557 1HD1 LEU 557 3.919 1.029 -1.338 137 HD12 LEU 557 2HD1 LEU 557 2.921 -0.384 -1.680 138 HD13 LEU 557 3HD1 LEU 557 3.985 0.266 -2.927 139 HD21 LEU 557 3HD2 LEU 557 4.150 -2.689 -0.776 140 HD22 LEU 557 1HD2 LEU 557 3.662 -1.314 0.216 141 HD23 LEU 557 2HD2 LEU 557 5.282 -1.991 0.383 142 H CYS 558 HN CYS 558 8.050 -2.660 -4.497 143 HA CYS 558 HA CYS 558 6.802 -5.063 -5.331 144 HB2 CYS 558 3HB CYS 558 9.295 -3.644 -6.273 145 HB3 CYS 558 2HB CYS 558 8.627 -5.073 -7.078 146 HG CYS 558 HG CYS 558 6.568 -2.419 -6.639 147 H GLY 559 HN GLY 559 9.526 -4.386 -3.329 148 HA2 GLY 559 2HA GLY 559 10.480 -7.157 -3.542 149 HA3 GLY 559 3HA GLY 559 11.359 -5.825 -2.807 150 H VAL 560 HN VAL 560 8.271 -5.515 -1.761 151 HA VAL 560 HA VAL 560 8.803 -7.127 0.650 152 HB VAL 560 HB VAL 560 7.159 -4.599 0.540 153 HG11 VAL 560 1HG1 VAL 560 7.274 -4.666 2.945 154 HG12 VAL 560 2HG1 VAL 560 6.649 -6.207 2.355 155 HG13 VAL 560 3HG1 VAL 560 8.325 -6.081 2.892 156 HG21 VAL 560 3HG2 VAL 560 10.029 -4.948 0.582 157 HG22 VAL 560 1HG2 VAL 560 9.076 -3.474 0.416 158 HG23 VAL 560 2HG2 VAL 560 9.460 -4.099 2.019 159 H PHE 561 HN PHE 561 6.507 -6.242 -1.802 160 HA PHE 561 HA PHE 561 4.837 -8.486 -1.102 161 HB2 PHE 561 3HB PHE 561 3.929 -5.643 -0.724 162 HB3 PHE 561 2HB PHE 561 2.766 -6.894 -1.173 163 HD1 PHE 561 1HD PHE 561 2.492 -8.907 0.313 164 HD2 PHE 561 2HD PHE 561 4.643 -5.435 1.508 165 HE1 PHE 561 1HE PHE 561 2.276 -9.589 2.667 166 HE2 PHE 561 2HE PHE 561 4.432 -6.111 3.864 167 HZ PHE 561 HZ PHE 561 3.247 -8.190 4.447 168 HA PRO 562 HA PRO 562 4.056 -8.566 -5.418 169 HB2 PRO 562 3HB PRO 562 1.499 -9.539 -5.533 170 HB3 PRO 562 2HB PRO 562 2.891 -10.516 -5.072 171 HG2 PRO 562 3HG PRO 562 0.887 -9.120 -3.331 172 HG3 PRO 562 2HG PRO 562 1.545 -10.794 -3.197 173 HD2 PRO 562 3HD PRO 562 2.421 -8.745 -1.645 174 HD3 PRO 562 2HD PRO 562 3.482 -10.056 -2.189 175 HA PRO 563 HA PRO 563 1.920 -5.017 -6.893 176 HB2 PRO 563 3HB PRO 563 0.870 -5.873 -9.273 177 HB3 PRO 563 2HB PRO 563 2.592 -5.594 -9.013 178 HG2 PRO 563 3HG PRO 563 1.043 -8.161 -8.905 179 HG3 PRO 563 2HG PRO 563 2.626 -7.815 -9.699 180 HD2 PRO 563 3HD PRO 563 2.431 -9.081 -7.304 181 HD3 PRO 563 2HD PRO 563 3.773 -7.996 -7.707 182 H HIS 564 HN HIS 564 -0.065 -7.951 -7.310 183 HA HIS 564 HA HIS 564 -2.557 -6.750 -7.465 184 HB2 HIS 564 3HB HIS 564 -3.461 -8.848 -7.197 185 HB3 HIS 564 2HB HIS 564 -1.809 -9.264 -7.660 186 HD1 HIS 564 1HD HIS 564 -0.251 -10.240 -5.829 187 HD2 HIS 564 2HD HIS 564 -4.142 -9.523 -4.564 188 HE1 HIS 564 1HE HIS 564 -0.475 -11.442 -3.631 189 HE2 HIS 564 2HE HIS 564 -2.855 -11.004 -2.858 190 H LEU 565 HN LEU 565 -0.488 -7.196 -4.725 191 HA LEU 565 HA LEU 565 -2.571 -6.701 -2.781 192 HB2 LEU 565 3HB LEU 565 0.304 -7.384 -2.742 193 HB3 LEU 565 2HB LEU 565 -0.277 -6.396 -1.391 194 HG LEU 565 HG LEU 565 -1.337 -9.110 -2.178 195 HD11 LEU 565 1HD1 LEU 565 0.728 -8.184 -0.287 196 HD12 LEU 565 2HD1 LEU 565 0.558 -9.728 -1.121 197 HD13 LEU 565 3HD1 LEU 565 -0.402 -9.395 0.320 198 HD21 LEU 565 3HD2 LEU 565 -2.149 -7.134 -0.071 199 HD22 LEU 565 1HD2 LEU 565 -2.464 -8.860 0.105 200 HD23 LEU 565 2HD2 LEU 565 -3.158 -7.971 -1.252 201 H VAL 566 HN VAL 566 0.465 -5.013 -3.610 202 HA VAL 566 HA VAL 566 0.012 -2.672 -2.220 203 HB VAL 566 HB VAL 566 1.423 -2.961 -4.876 204 HG11 VAL 566 1HG1 VAL 566 2.698 -0.938 -3.967 205 HG12 VAL 566 2HG1 VAL 566 1.072 -0.662 -4.596 206 HG13 VAL 566 3HG1 VAL 566 1.344 -0.743 -2.855 207 HG21 VAL 566 3HG2 VAL 566 2.164 -4.380 -2.864 208 HG22 VAL 566 1HG2 VAL 566 3.387 -3.426 -3.705 209 HG23 VAL 566 2HG2 VAL 566 2.722 -2.855 -2.174 210 H GLU 567 HN GLU 567 -0.771 -3.320 -5.638 211 HA GLU 567 HA GLU 567 -1.920 -0.900 -6.294 212 HB2 GLU 567 3HB GLU 567 -2.530 -3.707 -7.206 213 HB3 GLU 567 2HB GLU 567 -3.360 -2.301 -7.890 214 HG2 GLU 567 3HG GLU 567 -0.688 -1.602 -8.033 215 HG3 GLU 567 2HG GLU 567 -0.703 -3.327 -8.424 216 HE2 GLU 567 HE GLU 567 -2.814 -1.003 -10.868 217 H ALA 568 HN ALA 568 -3.228 -3.504 -4.380 218 HA ALA 568 HA ALA 568 -5.915 -2.434 -4.385 219 HB1 ALA 568 1HB ALA 568 -6.465 -4.270 -2.927 220 HB2 ALA 568 2HB ALA 568 -5.472 -4.867 -4.257 221 HB3 ALA 568 3HB ALA 568 -4.758 -4.622 -2.664 222 H VAL 569 HN VAL 569 -3.482 -3.020 -1.835 223 HA VAL 569 HA VAL 569 -4.738 -1.663 0.223 224 HB VAL 569 HB VAL 569 -1.753 -1.735 -0.220 225 HG11 VAL 569 1HG1 VAL 569 -3.226 -1.768 2.398 226 HG12 VAL 569 2HG1 VAL 569 -1.524 -1.416 2.094 227 HG13 VAL 569 3HG1 VAL 569 -2.766 -0.263 1.602 228 HG21 VAL 569 3HG2 VAL 569 -2.567 -3.764 1.562 229 HG22 VAL 569 1HG2 VAL 569 -3.595 -3.891 0.134 230 HG23 VAL 569 2HG2 VAL 569 -1.841 -3.947 -0.035 231 H MET 570 HN MET 570 -2.848 -0.406 -2.443 232 HA MET 570 HA MET 570 -2.330 2.166 -1.489 233 HB2 MET 570 3HB MET 570 -2.615 0.953 -4.211 234 HB3 MET 570 2HB MET 570 -2.501 2.713 -4.061 235 HG2 MET 570 3HG MET 570 -0.431 1.876 -2.472 236 HG3 MET 570 2HG MET 570 -0.441 0.669 -3.760 237 HE1 MET 570 3HE MET 570 2.256 3.687 -4.056 238 HE2 MET 570 1HE MET 570 1.768 2.401 -2.951 239 HE3 MET 570 2HE MET 570 2.333 2.002 -4.575 240 H ARG 571 HN ARG 571 -5.255 0.727 -2.669 241 HA ARG 571 HA ARG 571 -6.608 3.219 -3.154 242 HB2 ARG 571 3HB ARG 571 -7.169 1.130 -4.367 243 HB3 ARG 571 2HB ARG 571 -7.761 0.441 -2.848 244 HG2 ARG 571 3HG ARG 571 -8.957 3.033 -3.491 245 HG3 ARG 571 2HG ARG 571 -9.285 1.767 -4.688 246 HD2 ARG 571 3HD ARG 571 -10.486 0.479 -3.223 247 HD3 ARG 571 2HD ARG 571 -9.578 1.057 -1.820 248 HE ARG 571 HE ARG 571 -11.066 3.196 -2.839 249 HH11 ARG 571 1HH1 ARG 571 -11.561 0.130 -1.268 250 HH12 ARG 571 2HH1 ARG 571 -13.042 0.610 -0.507 251 HH21 ARG 571 1HH2 ARG 571 -13.013 3.842 -1.843 252 HH22 ARG 571 2HH2 ARG 571 -13.867 2.722 -0.835 253 H ARG 572 HN ARG 572 -5.731 1.572 -0.394 254 HA ARG 572 HA ARG 572 -8.075 2.298 1.167 255 HB2 ARG 572 3HB ARG 572 -6.807 0.140 1.496 256 HB3 ARG 572 2HB ARG 572 -5.482 1.110 2.158 257 HG2 ARG 572 3HG ARG 572 -6.590 1.590 4.095 258 HG3 ARG 572 2HG ARG 572 -8.183 1.475 3.330 259 HD2 ARG 572 3HD ARG 572 -7.865 -0.997 3.152 260 HD3 ARG 572 2HD ARG 572 -6.364 -0.811 4.072 261 HE ARG 572 HE ARG 572 -8.175 0.361 5.682 262 HH11 ARG 572 1HH1 ARG 572 -8.117 -2.711 4.045 263 HH12 ARG 572 2HH1 ARG 572 -9.067 -3.518 5.248 264 HH21 ARG 572 1HH2 ARG 572 -9.428 -0.689 7.272 265 HH22 ARG 572 2HH2 ARG 572 -9.814 -2.367 7.083 266 H PHE 573 HN PHE 573 -4.717 3.275 0.764 267 HA PHE 573 HA PHE 573 -5.267 5.613 2.471 268 HB2 PHE 573 3HB PHE 573 -2.747 3.976 2.175 269 HB3 PHE 573 2HB PHE 573 -2.726 5.612 2.836 270 HD1 PHE 573 2HD PHE 573 -4.439 2.342 3.335 271 HD2 PHE 573 1HD PHE 573 -2.994 5.936 5.100 272 HE1 PHE 573 2HE PHE 573 -5.007 1.471 5.564 273 HE2 PHE 573 1HE PHE 573 -3.559 5.070 7.333 274 HZ PHE 573 HZ PHE 573 -4.568 2.836 7.568 275 HA PRO 574 HA PRO 574 -4.359 7.068 -1.833 276 HB2 PRO 574 3HB PRO 574 -6.351 8.949 -1.868 277 HB3 PRO 574 2HB PRO 574 -6.600 7.258 -2.302 278 HG2 PRO 574 3HG PRO 574 -7.123 8.650 0.302 279 HG3 PRO 574 2HG PRO 574 -8.166 7.489 -0.599 280 HD2 PRO 574 3HD PRO 574 -6.679 6.759 1.551 281 HD3 PRO 574 2HD PRO 574 -6.992 5.669 0.188 282 H GLN 575 HN GLN 575 -4.306 8.334 1.306 283 HA GLN 575 HA GLN 575 -3.054 10.832 0.376 284 HB2 GLN 575 3HB GLN 575 -3.658 11.863 2.431 285 HB3 GLN 575 2HB GLN 575 -5.096 11.009 1.848 286 HG2 GLN 575 3HG GLN 575 -4.649 9.165 3.386 287 HG3 GLN 575 2HG GLN 575 -3.208 10.009 3.968 288 HE21 GLN 575 1HE2 GLN 575 -3.769 12.407 4.569 289 HE22 GLN 575 2HE2 GLN 575 -5.126 12.577 5.623 290 H LEU 576 HN LEU 576 -2.459 7.833 1.814 291 HA LEU 576 HA LEU 576 0.239 8.713 2.575 292 HB2 LEU 576 3HB LEU 576 -1.804 7.643 4.298 293 HB3 LEU 576 2HB LEU 576 -0.417 6.541 4.231 294 HG LEU 576 HG LEU 576 -0.374 9.438 5.070 295 HD11 LEU 576 1HD1 LEU 576 -0.916 7.050 6.487 296 HD12 LEU 576 2HD1 LEU 576 -0.730 8.684 7.121 297 HD13 LEU 576 3HD1 LEU 576 0.673 7.625 6.992 298 HD21 LEU 576 3HD2 LEU 576 1.727 9.325 4.247 299 HD22 LEU 576 1HD2 LEU 576 1.764 7.562 4.284 300 HD23 LEU 576 2HD2 LEU 576 2.039 8.480 5.765 301 H LEU 577 HN LEU 577 1.681 7.674 1.384 302 HA LEU 577 HA LEU 577 1.110 4.897 0.583 303 HB2 LEU 577 3HB LEU 577 2.306 7.174 -0.967 304 HB3 LEU 577 2HB LEU 577 2.665 5.491 -1.392 305 HG LEU 577 HG LEU 577 0.919 6.321 -2.823 306 HD11 LEU 577 1HD1 LEU 577 -0.659 4.599 -2.559 307 HD12 LEU 577 2HD1 LEU 577 -0.430 4.544 -0.812 308 HD13 LEU 577 3HD1 LEU 577 0.842 3.965 -1.887 309 HD21 LEU 577 3HD2 LEU 577 0.178 8.015 -0.992 310 HD22 LEU 577 1HD2 LEU 577 -0.914 6.721 -0.498 311 HD23 LEU 577 2HD2 LEU 577 -1.010 7.380 -2.131 312 H ASP 578 HN ASP 578 2.281 3.873 2.153 313 HA ASP 578 HA ASP 578 5.189 4.323 2.075 314 HB2 ASP 578 3HB ASP 578 3.429 4.658 4.312 315 HB3 ASP 578 2HB ASP 578 4.499 3.285 4.627 316 HD2 ASP 578 HD ASP 578 6.302 6.787 4.082 317 HA PRO 579 HA PRO 579 5.596 0.015 1.347 318 HB2 PRO 579 3HB PRO 579 8.001 -0.501 2.555 319 HB3 PRO 579 2HB PRO 579 7.842 0.401 1.047 320 HG2 PRO 579 3HG PRO 579 8.134 1.421 3.853 321 HG3 PRO 579 2HG PRO 579 8.975 1.958 2.350 322 HD2 PRO 579 3HD PRO 579 6.888 3.322 3.429 323 HD3 PRO 579 2HD PRO 579 7.175 3.234 1.683 324 H GLN 580 HN GLN 580 6.412 0.944 4.690 325 HA GLN 580 HA GLN 580 5.731 -1.653 5.719 326 HB2 GLN 580 3HB GLN 580 6.592 0.957 6.931 327 HB3 GLN 580 2HB GLN 580 5.960 -0.338 7.959 328 HG2 GLN 580 3HG GLN 580 7.906 -1.390 7.949 329 HG3 GLN 580 2HG GLN 580 7.924 -1.411 6.180 330 HE21 GLN 580 1HE2 GLN 580 9.168 0.025 5.080 331 HE22 GLN 580 2HE2 GLN 580 10.248 1.139 5.837 332 H GLN 581 HN GLN 581 4.297 1.593 5.878 333 HA GLN 581 HA GLN 581 2.130 1.075 7.503 334 HB2 GLN 581 3HB GLN 581 2.409 2.918 5.128 335 HB3 GLN 581 2HB GLN 581 0.969 2.896 6.157 336 HG2 GLN 581 3HG GLN 581 2.231 3.569 8.077 337 HG3 GLN 581 2HG GLN 581 3.749 3.406 7.183 338 HE21 GLN 581 1HE2 GLN 581 4.557 5.364 6.942 339 HE22 GLN 581 2HE2 GLN 581 3.699 6.752 6.376 340 H LEU 582 HN LEU 582 2.178 0.896 3.941 341 HA LEU 582 HA LEU 582 -0.400 -0.062 3.574 342 HB2 LEU 582 3HB LEU 582 2.127 -0.507 1.988 343 HB3 LEU 582 2HB LEU 582 0.537 -1.077 1.452 344 HG LEU 582 HG LEU 582 1.174 1.821 1.989 345 HD11 LEU 582 1HD1 LEU 582 1.295 2.060 -0.452 346 HD12 LEU 582 2HD1 LEU 582 1.186 0.308 -0.620 347 HD13 LEU 582 3HD1 LEU 582 2.581 1.032 0.181 348 HD21 LEU 582 3HD2 LEU 582 -1.099 0.498 0.510 349 HD22 LEU 582 1HD2 LEU 582 -0.867 2.232 0.738 350 HD23 LEU 582 2HD2 LEU 582 -1.195 1.196 2.128 351 H ALA 583 HN ALA 583 2.561 -1.799 4.350 352 HA ALA 583 HA ALA 583 1.696 -4.413 3.924 353 HB1 ALA 583 1HB ALA 583 3.548 -3.552 6.137 354 HB2 ALA 583 2HB ALA 583 3.500 -5.110 5.309 355 HB3 ALA 583 3HB ALA 583 4.034 -3.668 4.445 356 H ALA 584 HN ALA 584 1.357 -2.338 6.775 357 HA ALA 584 HA ALA 584 0.348 -4.140 8.600 358 HB1 ALA 584 1HB ALA 584 -0.950 -1.479 8.520 359 HB2 ALA 584 2HB ALA 584 -0.207 -2.341 9.867 360 HB3 ALA 584 3HB ALA 584 0.806 -1.517 8.682 361 H GLU 585 HN GLU 585 -1.350 -2.455 5.999 362 HA GLU 585 HA GLU 585 -3.935 -3.432 6.738 363 HB2 GLU 585 3HB GLU 585 -2.809 -2.013 4.343 364 HB3 GLU 585 2HB GLU 585 -4.448 -2.680 4.299 365 HG2 GLU 585 3HG GLU 585 -3.396 -0.604 6.219 366 HG3 GLU 585 2HG GLU 585 -4.532 -0.349 4.888 367 HE2 GLU 585 HE GLU 585 -6.741 -2.522 6.998 368 H ILE 586 HN ILE 586 -1.385 -4.485 4.573 369 HA ILE 586 HA ILE 586 -2.838 -6.395 3.111 370 HB ILE 586 HB ILE 586 0.097 -6.391 3.830 371 HG12 ILE 586 1HG1 ILE 586 -1.196 -5.567 1.228 372 HG13 ILE 586 2HG1 ILE 586 -0.874 -4.414 2.534 373 HG21 ILE 586 1HG2 ILE 586 0.267 -7.821 1.751 374 HG22 ILE 586 2HG2 ILE 586 -0.440 -8.593 3.168 375 HG23 ILE 586 3HG2 ILE 586 -1.479 -8.028 1.861 376 HD11 ILE 586 3HD1 ILE 586 1.496 -5.917 2.004 377 HD12 ILE 586 1HD1 ILE 586 0.874 -5.233 0.502 378 HD13 ILE 586 2HD1 ILE 586 1.220 -4.180 1.874 379 H LEU 587 HN LEU 587 -0.862 -6.741 6.049 380 HA LEU 587 HA LEU 587 -1.080 -9.463 6.435 381 HB2 LEU 587 3HB LEU 587 -0.801 -7.129 8.283 382 HB3 LEU 587 2HB LEU 587 -1.074 -8.745 8.958 383 HG LEU 587 HG LEU 587 1.146 -8.381 7.005 384 HD11 LEU 587 1HD1 LEU 587 2.355 -8.019 9.447 385 HD12 LEU 587 2HD1 LEU 587 0.931 -6.984 9.548 386 HD13 LEU 587 3HD1 LEU 587 2.083 -6.772 8.230 387 HD21 LEU 587 3HD2 LEU 587 0.271 -10.544 8.241 388 HD22 LEU 587 1HD2 LEU 587 1.296 -9.929 9.538 389 HD23 LEU 587 2HD2 LEU 587 1.992 -10.278 7.956 390 H SER 588 HN SER 588 -3.396 -6.927 7.216 391 HA SER 588 HA SER 588 -5.203 -8.727 8.553 392 HB2 SER 588 1HB SER 588 -4.934 -6.213 9.005 393 HB3 SER 588 2HB SER 588 -5.892 -5.974 7.533 394 HG SER 588 HG SER 588 -7.349 -7.616 8.724 395 H TYR 589 HN TYR 589 -5.163 -7.006 5.444 396 HA TYR 589 HA TYR 589 -7.613 -7.893 4.463 397 HB2 TYR 589 3HB TYR 589 -6.442 -6.123 3.343 398 HB3 TYR 589 2HB TYR 589 -5.059 -7.172 3.018 399 HD1 TYR 589 2HD TYR 589 -8.735 -7.082 2.330 400 HD2 TYR 589 1HD TYR 589 -4.849 -8.072 0.907 401 HE1 TYR 589 2HE TYR 589 -9.698 -7.716 0.157 402 HE2 TYR 589 1HE TYR 589 -5.801 -8.708 -1.270 403 HH TYR 589 HH TYR 589 -7.656 -8.982 -2.459 404 H LYS 590 HN LYS 590 -4.510 -9.493 4.611 405 HA LYS 590 HA LYS 590 -5.254 -11.645 2.859 406 HB2 LYS 590 3HB LYS 590 -2.882 -10.728 3.438 407 HB3 LYS 590 2HB LYS 590 -3.006 -11.808 4.838 408 HG2 LYS 590 3HG LYS 590 -1.893 -13.105 3.274 409 HG3 LYS 590 2HG LYS 590 -3.579 -13.632 3.115 410 HD2 LYS 590 3HD LYS 590 -3.877 -12.145 1.188 411 HD3 LYS 590 2HD LYS 590 -2.195 -11.614 1.346 412 HE2 LYS 590 3HE LYS 590 -2.128 -13.241 -0.346 413 HE3 LYS 590 2HE LYS 590 -1.568 -14.078 1.109 414 HZ1 LYS 590 3HZ LYS 590 -4.353 -14.180 0.086 415 HZ2 LYS 590 1HZ LYS 590 -3.723 -15.062 1.385 416 HZ3 LYS 590 2HZ LYS 590 -3.185 -15.373 -0.188 417 H SER 591 HN SER 591 -4.627 -11.426 6.364 418 HA SER 591 HA SER 591 -5.399 -14.014 7.032 419 HB2 SER 591 1HB SER 591 -5.604 -11.468 8.670 420 HB3 SER 591 2HB SER 591 -5.767 -13.107 9.325 421 HG SER 591 HG SER 591 -3.557 -11.799 9.074 422 H GLN 592 HN GLN 592 -7.313 -11.249 6.222 423 HA GLN 592 HA GLN 592 -9.735 -11.863 7.444 424 HB2 GLN 592 3HB GLN 592 -9.000 -10.405 4.924 425 HB3 GLN 592 2HB GLN 592 -10.701 -10.683 5.328 426 HG2 GLN 592 3HG GLN 592 -9.055 -9.566 7.504 427 HG3 GLN 592 2HG GLN 592 -9.292 -8.519 6.097 428 HE21 GLN 592 1HE2 GLN 592 -11.004 -7.265 6.159 429 HE22 GLN 592 2HE2 GLN 592 -12.452 -7.556 7.056 430 H HIS 593 HN HIS 593 -8.349 -13.043 4.422 431 HA HIS 593 HA HIS 593 -10.686 -14.746 3.981 432 HB2 HIS 593 3HB HIS 593 -8.284 -14.099 2.262 433 HB3 HIS 593 2HB HIS 593 -9.509 -15.287 1.810 434 HD1 HIS 593 1HD HIS 593 -10.460 -14.045 -0.181 435 HD2 HIS 593 2HD HIS 593 -10.488 -11.792 3.310 436 HE1 HIS 593 1HE HIS 593 -11.835 -12.007 -0.707 437 HE2 HIS 593 2HE HIS 593 -11.852 -10.629 1.426 438 H LEU 594 HN LEU 594 -9.073 -15.359 6.213 439 HA LEU 594 HA LEU 594 -7.798 -17.871 5.348 440 HB2 LEU 594 3HB LEU 594 -6.436 -15.969 6.504 441 HB3 LEU 594 2HB LEU 594 -7.223 -16.566 7.975 442 HG LEU 594 HG LEU 594 -6.259 -18.843 7.404 443 HD11 LEU 594 1HD1 LEU 594 -4.436 -17.238 5.628 444 HD12 LEU 594 2HD1 LEU 594 -5.771 -18.218 5.021 445 HD13 LEU 594 3HD1 LEU 594 -4.439 -18.982 5.888 446 HD21 LEU 594 3HD2 LEU 594 -4.840 -16.449 8.382 447 HD22 LEU 594 1HD2 LEU 594 -3.831 -17.838 7.977 448 HD23 LEU 594 2HD2 LEU 594 -5.124 -18.004 9.165 449 H SER 595 HN SER 595 -8.079 -19.723 6.686 450 HA SER 595 HA SER 595 -10.679 -19.748 8.009 451 HB2 SER 595 1HB SER 595 -8.814 -21.962 7.111 452 HB3 SER 595 2HB SER 595 -10.318 -22.252 8.000 453 HG SER 595 HG SER 595 -11.155 -22.264 6.065 454 H GLU 596 HN GLU 596 -9.921 -18.551 9.876 455 HA GLU 596 HA GLU 596 -8.491 -20.281 11.784 456 HB2 GLU 596 3HB GLU 596 -7.464 -18.346 12.793 457 HB3 GLU 596 2HB GLU 596 -7.110 -18.350 11.058 458 HG2 GLU 596 3HG GLU 596 -7.664 -16.167 11.278 459 HG3 GLU 596 2HG GLU 596 -9.279 -16.832 10.989 460 HE2 GLU 596 HE GLU 596 -8.520 -15.983 14.797 Start of MODEL 4 1 H1 GLY 540 HN GLY 540 -7.944 19.263 -9.460 2 HA2 GLY 540 2HA GLY 540 -7.680 19.594 -6.534 3 HA3 GLY 540 3HA GLY 540 -6.689 18.499 -7.485 4 HA PRO 541 HA PRO 541 -4.569 22.662 -6.900 5 HB2 PRO 541 3HB PRO 541 -2.417 21.728 -5.484 6 HB3 PRO 541 2HB PRO 541 -3.921 22.259 -4.732 7 HG2 PRO 541 3HG PRO 541 -3.015 19.484 -5.422 8 HG3 PRO 541 2HG PRO 541 -3.782 20.089 -3.906 9 HD2 PRO 541 3HD PRO 541 -5.167 18.739 -5.811 10 HD3 PRO 541 2HD PRO 541 -5.892 20.026 -4.833 11 H HIS 542 HN HIS 542 -2.246 23.142 -7.539 12 HA HIS 542 HA HIS 542 -1.653 21.662 -9.960 13 HB2 HIS 542 3HB HIS 542 -1.632 24.093 -10.053 14 HB3 HIS 542 2HB HIS 542 -0.407 24.154 -8.782 15 HD1 HIS 542 1HD HIS 542 1.477 25.195 -10.090 16 HD2 HIS 542 2HD HIS 542 -0.086 21.816 -11.932 17 HE1 HIS 542 1HE HIS 542 3.043 24.680 -11.989 18 HE2 HIS 542 2HE HIS 542 2.089 22.614 -13.115 19 H MET 543 HN MET 543 -0.035 22.467 -6.908 20 HA MET 543 HA MET 543 2.431 21.290 -7.394 21 HB2 MET 543 3HB MET 543 0.833 21.704 -4.876 22 HB3 MET 543 2HB MET 543 2.419 20.918 -4.838 23 HG2 MET 543 3HG MET 543 3.199 23.031 -6.162 24 HG3 MET 543 2HG MET 543 1.726 23.741 -5.495 25 HE1 MET 543 3HE MET 543 3.456 25.464 -4.762 26 HE2 MET 543 1HE MET 543 2.373 25.434 -3.369 27 HE3 MET 543 2HE MET 543 4.120 25.439 -3.127 28 H GLY 544 HN GLY 544 3.318 19.252 -6.753 29 HA2 GLY 544 2HA GLY 544 1.477 17.096 -6.110 30 HA3 GLY 544 3HA GLY 544 2.222 17.002 -7.698 31 H ASP 545 HN ASP 545 3.354 17.815 -4.414 32 HA ASP 545 HA ASP 545 5.917 16.681 -4.817 33 HB2 ASP 545 3HB ASP 545 4.589 17.121 -2.137 34 HB3 ASP 545 2HB ASP 545 6.317 17.132 -2.510 35 HD2 ASP 545 HD ASP 545 4.501 20.501 -2.634 36 H LEU 546 HN LEU 546 2.911 15.439 -3.492 37 HA LEU 546 HA LEU 546 3.869 13.109 -2.288 38 HB2 LEU 546 3HB LEU 546 1.266 14.023 -3.388 39 HB3 LEU 546 2HB LEU 546 1.468 12.284 -3.116 40 HG LEU 546 HG LEU 546 2.073 14.212 -0.910 41 HD11 LEU 546 1HD1 LEU 546 -0.104 14.539 -0.322 42 HD12 LEU 546 2HD1 LEU 546 -0.660 13.069 -1.121 43 HD13 LEU 546 3HD1 LEU 546 -0.281 14.502 -2.076 44 HD21 LEU 546 3HD2 LEU 546 0.719 11.612 -0.520 45 HD22 LEU 546 1HD2 LEU 546 1.982 12.390 0.432 46 HD23 LEU 546 2HD2 LEU 546 2.395 11.562 -1.070 47 H ALA 547 HN ALA 547 3.459 13.925 -5.623 48 HA ALA 547 HA ALA 547 3.210 11.428 -6.811 49 HB1 ALA 547 1HB ALA 547 4.650 13.888 -7.787 50 HB2 ALA 547 2HB ALA 547 4.315 12.472 -8.785 51 HB3 ALA 547 3HB ALA 547 2.983 13.419 -8.121 52 H LYS 548 HN LYS 548 5.947 12.897 -5.269 53 HA LYS 548 HA LYS 548 7.883 11.095 -6.414 54 HB2 LYS 548 3HB LYS 548 8.335 13.473 -5.616 55 HB3 LYS 548 2HB LYS 548 8.256 12.824 -3.972 56 HG2 LYS 548 3HG LYS 548 10.523 12.801 -4.393 57 HG3 LYS 548 2HG LYS 548 10.041 11.145 -4.805 58 HD2 LYS 548 3HD LYS 548 11.358 11.716 -6.620 59 HD3 LYS 548 2HD LYS 548 9.731 12.108 -7.203 60 HE2 LYS 548 3HE LYS 548 10.937 14.001 -7.804 61 HE3 LYS 548 2HE LYS 548 10.219 14.469 -6.256 62 HZ1 LYS 548 3HZ LYS 548 12.707 14.903 -6.657 63 HZ2 LYS 548 1HZ LYS 548 12.902 13.256 -6.326 64 HZ3 LYS 548 2HZ LYS 548 12.225 14.278 -5.161 65 H GLU 549 HN GLU 549 5.815 11.179 -3.633 66 HA GLU 549 HA GLU 549 7.225 9.285 -2.050 67 HB2 GLU 549 3HB GLU 549 4.633 10.666 -1.974 68 HB3 GLU 549 2HB GLU 549 4.607 9.043 -1.265 69 HG2 GLU 549 3HG GLU 549 5.272 10.057 0.608 70 HG3 GLU 549 2HG GLU 549 6.867 10.068 -0.160 71 HE2 GLU 549 HE GLU 549 6.624 13.503 -0.859 72 H ARG 550 HN ARG 550 4.185 8.929 -3.889 73 HA ARG 550 HA ARG 550 3.961 6.172 -3.671 74 HB2 ARG 550 3HB ARG 550 2.257 7.838 -4.570 75 HB3 ARG 550 2HB ARG 550 3.120 7.731 -6.112 76 HG2 ARG 550 3HG ARG 550 2.414 5.598 -6.541 77 HG3 ARG 550 2HG ARG 550 2.234 5.205 -4.822 78 HD2 ARG 550 3HD ARG 550 0.132 6.091 -4.682 79 HD3 ARG 550 2HD ARG 550 0.460 7.311 -5.921 80 HE ARG 550 HE ARG 550 0.451 4.779 -7.131 81 HH11 ARG 550 1HH1 ARG 550 -1.731 7.029 -5.614 82 HH12 ARG 550 2HH1 ARG 550 -3.109 6.507 -6.525 83 HH21 ARG 550 1HH2 ARG 550 -1.357 4.083 -8.335 84 HH22 ARG 550 2HH2 ARG 550 -2.896 4.830 -8.071 85 H ALA 551 HN ALA 551 5.910 8.105 -5.836 86 HA ALA 551 HA ALA 551 6.538 6.134 -7.739 87 HB1 ALA 551 1HB ALA 551 8.684 7.602 -7.965 88 HB2 ALA 551 2HB ALA 551 7.111 8.253 -8.427 89 HB3 ALA 551 3HB ALA 551 7.821 8.684 -6.872 90 H GLY 552 HN GLY 552 8.502 7.272 -4.976 91 HA2 GLY 552 2HA GLY 552 10.399 5.163 -5.220 92 HA3 GLY 552 3HA GLY 552 10.236 6.258 -3.855 93 H VAL 553 HN VAL 553 7.711 5.717 -2.956 94 HA VAL 553 HA VAL 553 8.047 3.527 -1.311 95 HB VAL 553 HB VAL 553 5.453 4.754 -2.257 96 HG11 VAL 553 1HG1 VAL 553 6.049 2.618 -0.276 97 HG12 VAL 553 2HG1 VAL 553 4.773 3.778 0.099 98 HG13 VAL 553 3HG1 VAL 553 4.674 2.799 -1.364 99 HG21 VAL 553 3HG2 VAL 553 6.258 5.295 0.467 100 HG22 VAL 553 1HG2 VAL 553 7.482 5.822 -0.687 101 HG23 VAL 553 2HG2 VAL 553 5.828 6.418 -0.823 102 H TYR 554 HN TYR 554 5.954 3.676 -4.199 103 HA TYR 554 HA TYR 554 5.139 1.040 -4.253 104 HB2 TYR 554 3HB TYR 554 4.172 2.706 -5.723 105 HB3 TYR 554 2HB TYR 554 5.707 2.894 -6.573 106 HD1 TYR 554 1HD TYR 554 2.938 0.516 -5.954 107 HD2 TYR 554 2HD TYR 554 6.329 1.454 -8.346 108 HE1 TYR 554 1HE TYR 554 2.293 -1.242 -7.548 109 HE2 TYR 554 2HE TYR 554 5.692 -0.301 -9.947 110 HH TYR 554 HH TYR 554 3.509 -1.480 -10.615 111 H THR 555 HN THR 555 8.096 2.466 -5.561 112 HA THR 555 HA THR 555 9.091 0.286 -6.960 113 HB THR 555 HB THR 555 10.750 2.249 -5.368 114 HG1 THR 555 1HG THR 555 10.747 3.411 -7.405 115 HG21 THR 555 3HG2 THR 555 11.338 0.412 -7.675 116 HG22 THR 555 1HG2 THR 555 12.174 0.535 -6.128 117 HG23 THR 555 2HG2 THR 555 12.339 1.821 -7.324 118 H LYS 556 HN LYS 556 9.356 1.063 -3.520 119 HA LYS 556 HA LYS 556 11.016 -1.207 -2.936 120 HB2 LYS 556 3HB LYS 556 9.802 1.034 -1.438 121 HB3 LYS 556 2HB LYS 556 10.022 -0.463 -0.517 122 HG2 LYS 556 3HG LYS 556 12.019 0.547 -0.091 123 HG3 LYS 556 2HG LYS 556 12.438 -0.358 -1.557 124 HD2 LYS 556 3HD LYS 556 12.155 1.592 -2.935 125 HD3 LYS 556 2HD LYS 556 11.510 2.511 -1.564 126 HE2 LYS 556 3HE LYS 556 13.806 3.162 -1.922 127 HE3 LYS 556 2HE LYS 556 13.687 2.249 -0.412 128 HZ1 LYS 556 3HZ LYS 556 14.613 1.171 -3.019 129 HZ2 LYS 556 1HZ LYS 556 14.468 0.278 -1.591 130 HZ3 LYS 556 2HZ LYS 556 15.592 1.538 -1.690 131 H LEU 557 HN LEU 557 7.596 -0.510 -2.947 132 HA LEU 557 HA LEU 557 6.637 -2.568 -1.341 133 HB2 LEU 557 3HB LEU 557 5.578 -0.887 -3.520 134 HB3 LEU 557 2HB LEU 557 4.732 -2.424 -3.265 135 HG LEU 557 HG LEU 557 3.603 -0.672 -2.058 136 HD11 LEU 557 1HD1 LEU 557 4.709 -1.790 0.332 137 HD12 LEU 557 2HD1 LEU 557 4.590 -3.038 -0.908 138 HD13 LEU 557 3HD1 LEU 557 3.159 -2.120 -0.441 139 HD21 LEU 557 3HD2 LEU 557 5.306 0.956 -1.773 140 HD22 LEU 557 1HD2 LEU 557 6.306 -0.155 -0.839 141 HD23 LEU 557 2HD2 LEU 557 4.800 0.460 -0.158 142 H CYS 558 HN CYS 558 7.861 -2.634 -4.608 143 HA CYS 558 HA CYS 558 6.844 -5.153 -5.373 144 HB2 CYS 558 3HB CYS 558 9.415 -3.853 -6.287 145 HB3 CYS 558 2HB CYS 558 8.486 -5.088 -7.154 146 HG CYS 558 HG CYS 558 7.333 -1.925 -6.536 147 H GLY 559 HN GLY 559 9.221 -4.286 -3.114 148 HA2 GLY 559 2HA GLY 559 10.443 -6.967 -3.237 149 HA3 GLY 559 3HA GLY 559 11.190 -5.555 -2.505 150 H VAL 560 HN VAL 560 8.038 -5.405 -1.641 151 HA VAL 560 HA VAL 560 8.514 -6.927 0.840 152 HB VAL 560 HB VAL 560 6.770 -4.478 0.601 153 HG11 VAL 560 1HG1 VAL 560 7.909 -5.910 3.000 154 HG12 VAL 560 2HG1 VAL 560 6.887 -4.472 3.035 155 HG13 VAL 560 3HG1 VAL 560 6.239 -6.002 2.444 156 HG21 VAL 560 3HG2 VAL 560 8.721 -3.378 0.349 157 HG22 VAL 560 1HG2 VAL 560 8.875 -3.657 2.084 158 HG23 VAL 560 2HG2 VAL 560 9.683 -4.732 0.943 159 H PHE 561 HN PHE 561 6.301 -6.159 -1.731 160 HA PHE 561 HA PHE 561 4.692 -8.462 -1.085 161 HB2 PHE 561 3HB PHE 561 3.657 -5.659 -0.761 162 HB3 PHE 561 2HB PHE 561 2.564 -6.954 -1.253 163 HD1 PHE 561 1HD PHE 561 2.322 -8.981 0.228 164 HD2 PHE 561 2HD PHE 561 4.251 -5.407 1.499 165 HE1 PHE 561 1HE PHE 561 2.033 -9.664 2.574 166 HE2 PHE 561 2HE PHE 561 3.966 -6.083 3.848 167 HZ PHE 561 HZ PHE 561 2.857 -8.214 4.387 168 HA PRO 562 HA PRO 562 4.098 -8.594 -5.429 169 HB2 PRO 562 3HB PRO 562 1.590 -9.674 -5.645 170 HB3 PRO 562 2HB PRO 562 3.002 -10.590 -5.121 171 HG2 PRO 562 3HG PRO 562 0.871 -9.271 -3.472 172 HG3 PRO 562 2HG PRO 562 1.591 -10.915 -3.301 173 HD2 PRO 562 3HD PRO 562 2.317 -8.824 -1.726 174 HD3 PRO 562 2HD PRO 562 3.452 -10.093 -2.218 175 HA PRO 563 HA PRO 563 1.868 -5.157 -7.026 176 HB2 PRO 563 3HB PRO 563 0.914 -6.082 -9.420 177 HB3 PRO 563 2HB PRO 563 2.616 -5.739 -9.118 178 HG2 PRO 563 3HG PRO 563 1.157 -8.357 -9.012 179 HG3 PRO 563 2HG PRO 563 2.747 -7.968 -9.769 180 HD2 PRO 563 3HD PRO 563 2.533 -9.205 -7.362 181 HD3 PRO 563 2HD PRO 563 3.846 -8.080 -7.746 182 H HIS 564 HN HIS 564 0.001 -8.167 -7.444 183 HA HIS 564 HA HIS 564 -2.527 -7.075 -7.699 184 HB2 HIS 564 3HB HIS 564 -3.338 -9.198 -7.430 185 HB3 HIS 564 2HB HIS 564 -1.642 -9.574 -7.742 186 HD1 HIS 564 1HD HIS 564 -0.191 -10.358 -5.724 187 HD2 HIS 564 2HD HIS 564 -4.216 -9.818 -4.851 188 HE1 HIS 564 1HE HIS 564 -0.552 -11.474 -3.498 189 HE2 HIS 564 2HE HIS 564 -3.012 -11.145 -2.964 190 H LEU 565 HN LEU 565 -0.545 -7.412 -4.864 191 HA LEU 565 HA LEU 565 -2.711 -6.874 -3.025 192 HB2 LEU 565 3HB LEU 565 0.129 -7.614 -2.858 193 HB3 LEU 565 2HB LEU 565 -0.421 -6.506 -1.589 194 HG LEU 565 HG LEU 565 -1.592 -9.222 -2.193 195 HD11 LEU 565 1HD1 LEU 565 -0.701 -9.493 0.264 196 HD12 LEU 565 2HD1 LEU 565 0.417 -8.224 -0.238 197 HD13 LEU 565 3HD1 LEU 565 0.359 -9.749 -1.123 198 HD21 LEU 565 3HD2 LEU 565 -2.657 -8.698 0.125 199 HD22 LEU 565 1HD2 LEU 565 -3.389 -8.049 -1.344 200 HD23 LEU 565 2HD2 LEU 565 -2.377 -7.017 -0.334 201 H VAL 566 HN VAL 566 0.354 -5.200 -3.771 202 HA VAL 566 HA VAL 566 -0.135 -2.829 -2.461 203 HB VAL 566 HB VAL 566 1.320 -3.167 -5.087 204 HG11 VAL 566 1HG1 VAL 566 1.276 -0.923 -3.083 205 HG12 VAL 566 2HG1 VAL 566 2.563 -1.122 -4.275 206 HG13 VAL 566 3HG1 VAL 566 0.901 -0.855 -4.805 207 HG21 VAL 566 3HG2 VAL 566 2.589 -2.998 -2.377 208 HG22 VAL 566 1HG2 VAL 566 2.022 -4.539 -3.020 209 HG23 VAL 566 2HG2 VAL 566 3.261 -3.625 -3.882 210 H GLU 567 HN GLU 567 -0.859 -3.553 -5.876 211 HA GLU 567 HA GLU 567 -2.008 -1.150 -6.596 212 HB2 GLU 567 3HB GLU 567 -2.528 -3.980 -7.479 213 HB3 GLU 567 2HB GLU 567 -3.429 -2.625 -8.174 214 HG2 GLU 567 3HG GLU 567 -1.000 -1.641 -8.531 215 HG3 GLU 567 2HG GLU 567 -0.572 -3.358 -8.484 216 HE2 GLU 567 HE GLU 567 -2.231 -1.947 -11.717 217 H ALA 568 HN ALA 568 -3.338 -3.735 -4.672 218 HA ALA 568 HA ALA 568 -6.030 -2.682 -4.746 219 HB1 ALA 568 1HB ALA 568 -6.572 -4.490 -3.216 220 HB2 ALA 568 2HB ALA 568 -5.636 -5.097 -4.583 221 HB3 ALA 568 3HB ALA 568 -4.859 -4.859 -3.017 222 H VAL 569 HN VAL 569 -3.646 -3.212 -2.140 223 HA VAL 569 HA VAL 569 -4.950 -1.840 -0.125 224 HB VAL 569 HB VAL 569 -1.956 -1.884 -0.517 225 HG11 VAL 569 1HG1 VAL 569 -1.823 -1.659 1.868 226 HG12 VAL 569 2HG1 VAL 569 -2.857 -0.372 1.245 227 HG13 VAL 569 3HG1 VAL 569 -3.575 -1.783 2.024 228 HG21 VAL 569 3HG2 VAL 569 -2.788 -3.893 1.283 229 HG22 VAL 569 1HG2 VAL 569 -3.778 -4.054 -0.168 230 HG23 VAL 569 2HG2 VAL 569 -2.018 -4.093 -0.291 231 H MET 570 HN MET 570 -3.023 -0.599 -2.774 232 HA MET 570 HA MET 570 -2.548 1.992 -1.852 233 HB2 MET 570 3HB MET 570 -2.778 0.731 -4.556 234 HB3 MET 570 2HB MET 570 -2.708 2.495 -4.440 235 HG2 MET 570 3HG MET 570 -0.639 1.726 -2.808 236 HG3 MET 570 2HG MET 570 -0.604 0.510 -4.088 237 HE1 MET 570 3HE MET 570 1.625 1.982 -3.452 238 HE2 MET 570 1HE MET 570 2.276 2.739 -4.907 239 HE3 MET 570 2HE MET 570 1.583 3.737 -3.628 240 H ARG 571 HN ARG 571 -5.446 0.509 -3.043 241 HA ARG 571 HA ARG 571 -6.818 2.980 -3.578 242 HB2 ARG 571 3HB ARG 571 -7.292 0.761 -4.701 243 HB3 ARG 571 2HB ARG 571 -8.053 0.255 -3.185 244 HG2 ARG 571 3HG ARG 571 -8.983 2.825 -4.317 245 HG3 ARG 571 2HG ARG 571 -9.406 1.355 -5.213 246 HD2 ARG 571 3HD ARG 571 -9.958 0.617 -2.630 247 HD3 ARG 571 2HD ARG 571 -10.386 2.334 -2.632 248 HE ARG 571 HE ARG 571 -11.842 0.234 -3.853 249 HH11 ARG 571 1HH1 ARG 571 -10.918 3.561 -4.298 250 HH12 ARG 571 2HH1 ARG 571 -12.306 3.954 -5.259 251 HH21 ARG 571 1HH2 ARG 571 -13.672 0.738 -5.117 252 HH22 ARG 571 2HH2 ARG 571 -13.872 2.347 -5.723 253 H ARG 572 HN ARG 572 -6.076 1.196 -0.799 254 HA ARG 572 HA ARG 572 -8.396 2.045 0.721 255 HB2 ARG 572 3HB ARG 572 -7.240 -0.169 1.057 256 HB3 ARG 572 2HB ARG 572 -5.881 0.730 1.751 257 HG2 ARG 572 3HG ARG 572 -7.159 1.469 3.594 258 HG3 ARG 572 2HG ARG 572 -8.674 0.950 2.830 259 HD2 ARG 572 3HD ARG 572 -7.705 -1.421 2.888 260 HD3 ARG 572 2HD ARG 572 -6.492 -0.757 3.993 261 HE ARG 572 HE ARG 572 -9.165 -0.147 4.810 262 HH11 ARG 572 1HH1 ARG 572 -6.684 -2.590 4.845 263 HH12 ARG 572 2HH1 ARG 572 -7.283 -3.362 6.277 264 HH21 ARG 572 1HH2 ARG 572 -9.962 -1.154 6.695 265 HH22 ARG 572 2HH2 ARG 572 -9.147 -2.545 7.328 266 H PHE 573 HN PHE 573 -4.924 2.753 0.599 267 HA PHE 573 HA PHE 573 -5.438 5.146 2.241 268 HB2 PHE 573 3HB PHE 573 -3.009 3.365 2.036 269 HB3 PHE 573 2HB PHE 573 -2.914 4.995 2.706 270 HD1 PHE 573 1HD PHE 573 -5.094 1.987 3.094 271 HD2 PHE 573 2HD PHE 573 -3.003 5.177 4.983 272 HE1 PHE 573 1HE PHE 573 -5.806 1.147 5.293 273 HE2 PHE 573 2HE PHE 573 -3.711 4.341 7.186 274 HZ PHE 573 HZ PHE 573 -5.114 2.322 7.344 275 HA PRO 574 HA PRO 574 -4.209 6.516 -2.035 276 HB2 PRO 574 3HB PRO 574 -6.201 8.380 -2.281 277 HB3 PRO 574 2HB PRO 574 -6.400 6.681 -2.711 278 HG2 PRO 574 3HG PRO 574 -7.167 8.107 -0.186 279 HG3 PRO 574 2HG PRO 574 -8.117 6.925 -1.162 280 HD2 PRO 574 3HD PRO 574 -6.829 6.237 1.127 281 HD3 PRO 574 2HD PRO 574 -7.007 5.126 -0.243 282 H GLN 575 HN GLN 575 -4.454 7.829 1.078 283 HA GLN 575 HA GLN 575 -3.134 10.320 0.229 284 HB2 GLN 575 3HB GLN 575 -3.935 11.379 2.201 285 HB3 GLN 575 2HB GLN 575 -5.307 10.513 1.492 286 HG2 GLN 575 3HG GLN 575 -4.919 8.658 3.090 287 HG3 GLN 575 2HG GLN 575 -3.651 9.633 3.844 288 HE21 GLN 575 1HE2 GLN 575 -7.072 9.305 3.309 289 HE22 GLN 575 2HE2 GLN 575 -7.575 10.415 4.533 290 H LEU 576 HN LEU 576 -2.666 7.348 1.768 291 HA LEU 576 HA LEU 576 -0.074 8.273 2.809 292 HB2 LEU 576 3HB LEU 576 -2.267 7.127 4.276 293 HB3 LEU 576 2HB LEU 576 -0.862 6.047 4.337 294 HG LEU 576 HG LEU 576 -0.949 8.929 5.229 295 HD11 LEU 576 1HD1 LEU 576 -0.740 6.329 6.736 296 HD12 LEU 576 2HD1 LEU 576 -2.063 7.493 6.794 297 HD13 LEU 576 3HD1 LEU 576 -0.483 7.922 7.449 298 HD21 LEU 576 3HD2 LEU 576 1.238 8.892 4.745 299 HD22 LEU 576 1HD2 LEU 576 1.272 7.136 4.578 300 HD23 LEU 576 2HD2 LEU 576 1.377 7.871 6.178 301 H LEU 577 HN LEU 577 1.279 7.445 1.324 302 HA LEU 577 HA LEU 577 1.013 4.584 0.672 303 HB2 LEU 577 3HB LEU 577 2.030 6.917 -0.931 304 HB3 LEU 577 2HB LEU 577 2.480 5.250 -1.329 305 HG LEU 577 HG LEU 577 0.681 5.912 -2.759 306 HD11 LEU 577 1HD1 LEU 577 -0.515 4.167 -0.618 307 HD12 LEU 577 2HD1 LEU 577 0.683 3.604 -1.782 308 HD13 LEU 577 3HD1 LEU 577 -0.888 4.176 -2.342 309 HD21 LEU 577 3HD2 LEU 577 -0.139 7.724 -1.213 310 HD22 LEU 577 1HD2 LEU 577 -0.997 6.466 -0.322 311 HD23 LEU 577 2HD2 LEU 577 -1.397 6.778 -2.012 312 H ASP 578 HN ASP 578 2.282 3.683 2.233 313 HA ASP 578 HA ASP 578 5.132 4.420 2.160 314 HB2 ASP 578 3HB ASP 578 3.334 4.547 4.394 315 HB3 ASP 578 2HB ASP 578 4.556 3.306 4.704 316 HD2 ASP 578 HD ASP 578 5.943 6.996 4.177 317 HA PRO 579 HA PRO 579 5.990 0.180 1.423 318 HB2 PRO 579 3HB PRO 579 8.412 -0.102 2.670 319 HB3 PRO 579 2HB PRO 579 8.190 0.792 1.168 320 HG2 PRO 579 3HG PRO 579 8.329 1.814 3.984 321 HG3 PRO 579 2HG PRO 579 9.138 2.445 2.501 322 HD2 PRO 579 3HD PRO 579 6.907 3.582 3.551 323 HD3 PRO 579 2HD PRO 579 7.231 3.539 1.810 324 H GLN 580 HN GLN 580 6.615 1.174 4.788 325 HA GLN 580 HA GLN 580 6.208 -1.489 5.794 326 HB2 GLN 580 3HB GLN 580 6.678 1.199 7.067 327 HB3 GLN 580 2HB GLN 580 6.257 -0.218 8.041 328 HG2 GLN 580 3HG GLN 580 8.294 -1.124 7.861 329 HG3 GLN 580 2HG GLN 580 8.440 -0.680 6.154 330 HE21 GLN 580 1HE2 GLN 580 8.327 1.962 6.086 331 HE22 GLN 580 2HE2 GLN 580 9.593 2.680 7.018 332 H GLN 581 HN GLN 581 4.392 1.557 5.845 333 HA GLN 581 HA GLN 581 2.259 0.811 7.434 334 HB2 GLN 581 3HB GLN 581 2.469 2.675 5.079 335 HB3 GLN 581 2HB GLN 581 0.933 2.437 5.929 336 HG2 GLN 581 3HG GLN 581 1.830 3.272 7.974 337 HG3 GLN 581 2HG GLN 581 3.465 3.296 7.300 338 HE21 GLN 581 1HE2 GLN 581 4.043 5.350 7.183 339 HE22 GLN 581 2HE2 GLN 581 3.116 6.622 6.472 340 H LEU 582 HN LEU 582 2.410 0.607 3.875 341 HA LEU 582 HA LEU 582 -0.011 -0.637 3.427 342 HB2 LEU 582 3HB LEU 582 2.625 -0.882 1.984 343 HB3 LEU 582 2HB LEU 582 1.133 -1.636 1.397 344 HG LEU 582 HG LEU 582 1.512 1.330 1.805 345 HD11 LEU 582 1HD1 LEU 582 2.845 0.078 -0.052 346 HD12 LEU 582 2HD1 LEU 582 1.985 1.570 -0.433 347 HD13 LEU 582 3HD1 LEU 582 1.278 0.011 -0.861 348 HD21 LEU 582 3HD2 LEU 582 -0.573 1.538 0.586 349 HD22 LEU 582 1HD2 LEU 582 -0.807 0.542 2.022 350 HD23 LEU 582 2HD2 LEU 582 -0.685 -0.216 0.433 351 H ALA 583 HN ALA 583 2.963 -1.987 4.640 352 HA ALA 583 HA ALA 583 2.420 -4.714 4.202 353 HB1 ALA 583 1HB ALA 583 4.616 -3.599 4.910 354 HB2 ALA 583 2HB ALA 583 3.983 -3.705 6.554 355 HB3 ALA 583 3HB ALA 583 4.228 -5.173 5.607 356 H ALA 584 HN ALA 584 1.511 -2.504 6.783 357 HA ALA 584 HA ALA 584 0.526 -4.443 8.588 358 HB1 ALA 584 1HB ALA 584 1.085 -2.118 9.212 359 HB2 ALA 584 2HB ALA 584 -0.336 -1.567 8.324 360 HB3 ALA 584 3HB ALA 584 -0.527 -2.604 9.737 361 H GLU 585 HN GLU 585 -1.220 -2.281 6.348 362 HA GLU 585 HA GLU 585 -3.776 -3.247 6.762 363 HB2 GLU 585 3HB GLU 585 -2.398 -1.942 4.451 364 HB3 GLU 585 2HB GLU 585 -4.025 -2.602 4.212 365 HG2 GLU 585 3HG GLU 585 -4.613 -0.504 4.815 366 HG3 GLU 585 2HG GLU 585 -4.492 -1.220 6.428 367 HE2 GLU 585 HE GLU 585 -1.401 1.050 5.377 368 H ILE 586 HN ILE 586 -1.366 -4.372 4.407 369 HA ILE 586 HA ILE 586 -2.912 -6.346 3.183 370 HB ILE 586 HB ILE 586 0.072 -6.340 3.648 371 HG12 ILE 586 1HG1 ILE 586 -1.307 -5.641 1.073 372 HG13 ILE 586 2HG1 ILE 586 -1.147 -4.421 2.348 373 HG21 ILE 586 1HG2 ILE 586 -1.611 -7.943 1.727 374 HG22 ILE 586 2HG2 ILE 586 0.150 -7.870 1.714 375 HG23 ILE 586 3HG2 ILE 586 -0.692 -8.566 3.098 376 HD11 ILE 586 3HD1 ILE 586 1.379 -5.194 2.279 377 HD12 ILE 586 1HD1 ILE 586 0.935 -5.636 0.631 378 HD13 ILE 586 2HD1 ILE 586 0.741 -3.971 1.181 379 H LEU 587 HN LEU 587 -0.763 -6.565 6.000 380 HA LEU 587 HA LEU 587 -0.888 -9.280 6.482 381 HB2 LEU 587 3HB LEU 587 -0.442 -6.862 8.134 382 HB3 LEU 587 2HB LEU 587 -0.865 -8.348 9.002 383 HG LEU 587 HG LEU 587 1.409 -8.258 7.039 384 HD11 LEU 587 1HD1 LEU 587 2.671 -8.169 9.396 385 HD12 LEU 587 2HD1 LEU 587 1.264 -7.180 9.784 386 HD13 LEU 587 3HD1 LEU 587 2.313 -6.732 8.439 387 HD21 LEU 587 3HD2 LEU 587 1.141 -9.996 9.461 388 HD22 LEU 587 1HD2 LEU 587 2.076 -10.266 7.990 389 HD23 LEU 587 2HD2 LEU 587 0.318 -10.414 7.959 390 H SER 588 HN SER 588 -3.182 -6.759 7.427 391 HA SER 588 HA SER 588 -4.890 -8.609 8.827 392 HB2 SER 588 1HB SER 588 -5.242 -5.708 8.018 393 HB3 SER 588 2HB SER 588 -6.444 -6.626 8.943 394 HG SER 588 HG SER 588 -5.306 -6.250 10.656 395 H TYR 589 HN TYR 589 -4.723 -7.177 5.641 396 HA TYR 589 HA TYR 589 -7.330 -7.784 4.772 397 HB2 TYR 589 3HB TYR 589 -5.984 -6.220 3.533 398 HB3 TYR 589 2HB TYR 589 -4.749 -7.445 3.237 399 HD1 TYR 589 1HD TYR 589 -8.451 -7.182 2.731 400 HD2 TYR 589 2HD TYR 589 -4.674 -8.245 1.084 401 HE1 TYR 589 1HE TYR 589 -9.554 -7.810 0.624 402 HE2 TYR 589 2HE TYR 589 -5.766 -8.876 -1.028 403 HH TYR 589 HH TYR 589 -9.216 -8.341 -1.545 404 H LYS 590 HN LYS 590 -4.297 -9.605 4.570 405 HA LYS 590 HA LYS 590 -5.329 -11.783 3.098 406 HB2 LYS 590 3HB LYS 590 -2.860 -11.060 3.687 407 HB3 LYS 590 2HB LYS 590 -3.101 -12.160 5.055 408 HG2 LYS 590 3HG LYS 590 -2.043 -13.389 3.308 409 HG3 LYS 590 2HG LYS 590 -3.723 -13.943 3.432 410 HD2 LYS 590 3HD LYS 590 -4.347 -12.983 1.435 411 HD3 LYS 590 2HD LYS 590 -3.083 -11.742 1.526 412 HE2 LYS 590 3HE LYS 590 -2.650 -13.415 -0.247 413 HE3 LYS 590 2HE LYS 590 -1.381 -13.366 0.985 414 HZ1 LYS 590 3HZ LYS 590 -2.402 -15.623 0.171 415 HZ2 LYS 590 1HZ LYS 590 -3.566 -15.278 1.348 416 HZ3 LYS 590 2HZ LYS 590 -1.937 -15.408 1.783 417 H SER 591 HN SER 591 -4.681 -11.442 6.588 418 HA SER 591 HA SER 591 -5.654 -13.915 7.398 419 HB2 SER 591 1HB SER 591 -5.343 -11.252 8.747 420 HB3 SER 591 2HB SER 591 -6.205 -12.554 9.586 421 HG SER 591 HG SER 591 -4.329 -13.345 10.056 422 H GLN 592 HN GLN 592 -7.369 -10.860 6.923 423 HA GLN 592 HA GLN 592 -9.857 -11.618 7.937 424 HB2 GLN 592 3HB GLN 592 -8.876 -9.553 6.034 425 HB3 GLN 592 2HB GLN 592 -10.612 -9.903 6.023 426 HG2 GLN 592 3HG GLN 592 -10.616 -9.515 8.507 427 HG3 GLN 592 2HG GLN 592 -8.955 -8.929 8.333 428 HE21 GLN 592 1HE2 GLN 592 -12.106 -8.460 6.761 429 HE22 GLN 592 2HE2 GLN 592 -11.986 -6.741 6.652 430 H HIS 593 HN HIS 593 -8.373 -12.202 4.813 431 HA HIS 593 HA HIS 593 -10.778 -13.677 3.976 432 HB2 HIS 593 3HB HIS 593 -8.617 -12.266 2.427 433 HB3 HIS 593 2HB HIS 593 -9.599 -13.522 1.666 434 HD1 HIS 593 1HD HIS 593 -10.761 -11.896 0.060 435 HD2 HIS 593 2HD HIS 593 -11.314 -10.965 4.072 436 HE1 HIS 593 1HE HIS 593 -12.581 -10.160 0.104 437 HE2 HIS 593 2HE HIS 593 -12.919 -9.591 2.556 438 H LEU 594 HN LEU 594 -9.157 -14.936 5.787 439 HA LEU 594 HA LEU 594 -7.540 -16.808 4.202 440 HB2 LEU 594 3HB LEU 594 -6.634 -15.545 6.265 441 HB3 LEU 594 2HB LEU 594 -7.611 -16.693 7.197 442 HG LEU 594 HG LEU 594 -6.272 -18.473 5.787 443 HD11 LEU 594 1HD1 LEU 594 -4.682 -15.959 5.534 444 HD12 LEU 594 2HD1 LEU 594 -4.969 -17.233 4.349 445 HD13 LEU 594 3HD1 LEU 594 -3.854 -17.509 5.687 446 HD21 LEU 594 3HD2 LEU 594 -5.885 -17.171 8.342 447 HD22 LEU 594 1HD2 LEU 594 -4.368 -17.790 7.690 448 HD23 LEU 594 2HD2 LEU 594 -5.740 -18.875 7.910 449 H SER 595 HN SER 595 -7.832 -19.039 4.385 450 HA SER 595 HA SER 595 -10.543 -19.855 4.847 451 HB2 SER 595 1HB SER 595 -8.038 -21.342 4.031 452 HB3 SER 595 2HB SER 595 -9.595 -22.154 4.276 453 HG SER 595 HG SER 595 -9.890 -21.623 2.256 454 H GLU 596 HN GLU 596 -11.376 -20.468 6.719 455 HA GLU 596 HA GLU 596 -9.598 -21.129 8.935 456 HB2 GLU 596 3HB GLU 596 -11.317 -19.479 9.378 457 HB3 GLU 596 2HB GLU 596 -12.572 -20.606 8.840 458 HG2 GLU 596 3HG GLU 596 -11.936 -22.125 10.710 459 HG3 GLU 596 2HG GLU 596 -10.839 -20.860 11.284 460 HE2 GLU 596 HE GLU 596 -13.797 -18.813 11.886 Start of MODEL 5 1 H1 GLY 540 HN GLY 540 -5.795 14.997 2.623 2 HA2 GLY 540 2HA GLY 540 -4.728 16.584 1.109 3 HA3 GLY 540 3HA GLY 540 -3.789 15.098 1.119 4 HA PRO 541 HA PRO 541 -6.465 14.993 -2.916 5 HB2 PRO 541 3HB PRO 541 -7.795 17.300 -3.562 6 HB3 PRO 541 2HB PRO 541 -8.496 16.013 -2.581 7 HG2 PRO 541 3HG PRO 541 -7.177 18.564 -1.712 8 HG3 PRO 541 2HG PRO 541 -8.709 17.814 -1.126 9 HD2 PRO 541 3HD PRO 541 -6.370 17.630 0.242 10 HD3 PRO 541 2HD PRO 541 -7.579 16.335 0.234 11 H HIS 542 HN HIS 542 -4.797 17.901 -1.911 12 HA HIS 542 HA HIS 542 -4.086 18.936 -4.409 13 HB2 HIS 542 3HB HIS 542 -2.787 19.067 -1.693 14 HB3 HIS 542 2HB HIS 542 -2.065 19.859 -3.095 15 HD1 HIS 542 1HD HIS 542 -2.440 22.245 -2.312 16 HD2 HIS 542 2HD HIS 542 -5.934 20.002 -2.469 17 HE1 HIS 542 1HE HIS 542 -4.313 23.895 -2.005 18 HE2 HIS 542 2HE HIS 542 -6.448 22.525 -2.100 19 H MET 543 HN MET 543 -2.713 18.292 -5.939 20 HA MET 543 HA MET 543 -0.898 16.063 -5.311 21 HB2 MET 543 3HB MET 543 -1.912 16.877 -8.040 22 HB3 MET 543 2HB MET 543 -1.048 15.392 -7.613 23 HG2 MET 543 3HG MET 543 -2.999 14.802 -6.126 24 HG3 MET 543 2HG MET 543 -3.852 16.161 -6.864 25 HE1 MET 543 3HE MET 543 -3.663 12.134 -7.579 26 HE2 MET 543 1HE MET 543 -2.349 12.354 -8.736 27 HE3 MET 543 2HE MET 543 -2.183 12.956 -7.086 28 H GLY 544 HN GLY 544 1.173 16.020 -6.444 29 HA2 GLY 544 2HA GLY 544 2.464 17.713 -8.003 30 HA3 GLY 544 3HA GLY 544 2.314 18.709 -6.562 31 H ASP 545 HN ASP 545 2.796 17.030 -4.522 32 HA ASP 545 HA ASP 545 5.547 16.130 -5.058 33 HB2 ASP 545 3HB ASP 545 5.749 16.373 -2.492 34 HB3 ASP 545 2HB ASP 545 5.710 17.844 -3.473 35 HD2 ASP 545 HD ASP 545 2.989 18.976 -1.759 36 H LEU 546 HN LEU 546 2.455 15.237 -3.720 37 HA LEU 546 HA LEU 546 3.078 12.981 -2.258 38 HB2 LEU 546 3HB LEU 546 0.785 14.202 -2.978 39 HB3 LEU 546 2HB LEU 546 0.720 12.771 -4.022 40 HG LEU 546 HG LEU 546 0.948 12.730 -1.013 41 HD11 LEU 546 1HD1 LEU 546 -1.410 11.817 -2.614 42 HD12 LEU 546 2HD1 LEU 546 -1.246 13.502 -2.123 43 HD13 LEU 546 3HD1 LEU 546 -1.315 12.233 -0.902 44 HD21 LEU 546 3HD2 LEU 546 0.314 10.284 -1.451 45 HD22 LEU 546 1HD2 LEU 546 1.980 10.774 -1.759 46 HD23 LEU 546 2HD2 LEU 546 0.855 10.581 -3.104 47 H ALA 547 HN ALA 547 2.848 13.368 -5.742 48 HA ALA 547 HA ALA 547 2.841 10.701 -6.534 49 HB1 ALA 547 1HB ALA 547 4.291 12.916 -7.969 50 HB2 ALA 547 2HB ALA 547 3.596 11.452 -8.664 51 HB3 ALA 547 3HB ALA 547 2.541 12.704 -8.009 52 H LYS 548 HN LYS 548 5.453 12.706 -5.363 53 HA LYS 548 HA LYS 548 7.615 11.106 -6.207 54 HB2 LYS 548 3HB LYS 548 7.767 13.465 -5.373 55 HB3 LYS 548 2HB LYS 548 7.494 12.843 -3.737 56 HG2 LYS 548 3HG LYS 548 9.571 11.902 -3.577 57 HG3 LYS 548 2HG LYS 548 9.714 11.675 -5.329 58 HD2 LYS 548 3HD LYS 548 9.687 14.319 -5.343 59 HD3 LYS 548 2HD LYS 548 10.253 14.097 -3.678 60 HE2 LYS 548 3HE LYS 548 12.258 14.178 -4.819 61 HE3 LYS 548 2HE LYS 548 11.945 12.436 -4.770 62 HZ1 LYS 548 3HZ LYS 548 10.692 13.432 -7.048 63 HZ2 LYS 548 1HZ LYS 548 12.043 12.416 -6.967 64 HZ3 LYS 548 2HZ LYS 548 12.249 14.094 -7.021 65 H GLU 549 HN GLU 549 5.525 10.982 -3.386 66 HA GLU 549 HA GLU 549 7.055 9.090 -1.927 67 HB2 GLU 549 3HB GLU 549 4.553 10.489 -1.631 68 HB3 GLU 549 2HB GLU 549 4.346 8.779 -1.221 69 HG2 GLU 549 3HG GLU 549 6.274 10.743 0.009 70 HG3 GLU 549 2HG GLU 549 4.888 9.951 0.774 71 HE2 GLU 549 HE GLU 549 8.301 7.999 0.557 72 H ARG 550 HN ARG 550 4.032 8.697 -3.781 73 HA ARG 550 HA ARG 550 3.929 5.907 -3.629 74 HB2 ARG 550 3HB ARG 550 2.148 7.613 -4.424 75 HB3 ARG 550 2HB ARG 550 2.908 7.425 -6.012 76 HG2 ARG 550 3HG ARG 550 2.532 4.943 -5.794 77 HG3 ARG 550 2HG ARG 550 1.543 5.311 -4.371 78 HD2 ARG 550 3HD ARG 550 -0.184 5.545 -5.771 79 HD3 ARG 550 2HD ARG 550 0.584 7.051 -6.291 80 HE ARG 550 HE ARG 550 1.561 4.726 -7.671 81 HH11 ARG 550 1HH1 ARG 550 -0.887 7.199 -7.598 82 HH12 ARG 550 2HH1 ARG 550 -1.238 7.084 -9.291 83 HH21 ARG 550 1HH2 ARG 550 1.108 4.564 -9.901 84 HH22 ARG 550 2HH2 ARG 550 -0.104 5.585 -10.600 85 H ALA 551 HN ALA 551 5.833 8.004 -5.611 86 HA ALA 551 HA ALA 551 6.438 6.140 -7.675 87 HB1 ALA 551 1HB ALA 551 7.007 8.148 -8.495 88 HB2 ALA 551 2HB ALA 551 7.309 8.827 -6.896 89 HB3 ALA 551 3HB ALA 551 8.549 7.859 -7.690 90 H GLY 552 HN GLY 552 8.282 7.259 -4.833 91 HA2 GLY 552 2HA GLY 552 10.372 5.336 -5.244 92 HA3 GLY 552 3HA GLY 552 10.173 6.376 -3.842 93 H VAL 553 HN VAL 553 7.748 5.643 -2.858 94 HA VAL 553 HA VAL 553 8.286 3.417 -1.319 95 HB VAL 553 HB VAL 553 5.573 4.492 -2.096 96 HG11 VAL 553 1HG1 VAL 553 5.213 2.325 -1.227 97 HG12 VAL 553 2HG1 VAL 553 6.420 2.552 0.041 98 HG13 VAL 553 3HG1 VAL 553 4.895 3.438 0.103 99 HG21 VAL 553 3HG2 VAL 553 5.984 6.201 -0.737 100 HG22 VAL 553 1HG2 VAL 553 6.393 5.097 0.576 101 HG23 VAL 553 2HG2 VAL 553 7.640 5.623 -0.553 102 H TYR 554 HN TYR 554 6.150 3.572 -4.169 103 HA TYR 554 HA TYR 554 5.393 0.925 -4.295 104 HB2 TYR 554 3HB TYR 554 4.424 2.624 -5.740 105 HB3 TYR 554 2HB TYR 554 5.963 2.822 -6.581 106 HD1 TYR 554 1HD TYR 554 3.035 0.659 -6.177 107 HD2 TYR 554 2HD TYR 554 6.749 1.179 -8.188 108 HE1 TYR 554 1HE TYR 554 2.397 -1.081 -7.794 109 HE2 TYR 554 2HE TYR 554 6.121 -0.558 -9.811 110 HH TYR 554 HH TYR 554 4.642 -2.415 -10.039 111 H THR 555 HN THR 555 8.352 2.428 -5.491 112 HA THR 555 HA THR 555 9.408 0.316 -6.952 113 HB THR 555 HB THR 555 11.093 2.132 -5.232 114 HG1 THR 555 1HG THR 555 10.907 3.663 -6.872 115 HG21 THR 555 3HG2 THR 555 12.813 1.711 -6.716 116 HG22 THR 555 1HG2 THR 555 11.718 1.262 -8.023 117 HG23 THR 555 2HG2 THR 555 11.994 0.151 -6.681 118 H LYS 556 HN LYS 556 9.712 1.006 -3.484 119 HA LYS 556 HA LYS 556 11.298 -1.333 -2.982 120 HB2 LYS 556 3HB LYS 556 10.177 0.905 -1.399 121 HB3 LYS 556 2HB LYS 556 10.412 -0.617 -0.525 122 HG2 LYS 556 3HG LYS 556 12.417 0.453 -0.157 123 HG3 LYS 556 2HG LYS 556 12.788 -0.557 -1.565 124 HD2 LYS 556 3HD LYS 556 12.432 1.338 -3.059 125 HD3 LYS 556 2HD LYS 556 11.992 2.353 -1.675 126 HE2 LYS 556 3HE LYS 556 14.161 2.473 -0.880 127 HE3 LYS 556 2HE LYS 556 14.629 0.959 -1.668 128 HZ1 LYS 556 3HZ LYS 556 13.853 3.039 -3.507 129 HZ2 LYS 556 1HZ LYS 556 15.204 2.019 -3.533 130 HZ3 LYS 556 2HZ LYS 556 15.221 3.420 -2.586 131 H LEU 557 HN LEU 557 7.902 -0.462 -2.723 132 HA LEU 557 HA LEU 557 6.964 -2.600 -1.215 133 HB2 LEU 557 3HB LEU 557 5.797 -0.765 -3.242 134 HB3 LEU 557 2HB LEU 557 4.884 -2.229 -2.840 135 HG LEU 557 HG LEU 557 5.786 -0.210 -0.791 136 HD11 LEU 557 1HD1 LEU 557 3.810 0.926 -0.974 137 HD12 LEU 557 2HD1 LEU 557 2.958 -0.444 -1.685 138 HD13 LEU 557 3HD1 LEU 557 4.083 0.497 -2.663 139 HD21 LEU 557 3HD2 LEU 557 4.098 -2.676 -0.749 140 HD22 LEU 557 1HD2 LEU 557 3.793 -1.375 0.402 141 HD23 LEU 557 2HD2 LEU 557 5.369 -2.166 0.363 142 H CYS 558 HN CYS 558 8.047 -2.489 -4.504 143 HA CYS 558 HA CYS 558 6.789 -4.865 -5.413 144 HB2 CYS 558 3HB CYS 558 9.112 -3.213 -6.350 145 HB3 CYS 558 2HB CYS 558 8.753 -4.766 -7.122 146 HG CYS 558 HG CYS 558 6.585 -2.121 -6.967 147 H GLY 559 HN GLY 559 9.539 -4.249 -3.437 148 HA2 GLY 559 2HA GLY 559 10.542 -6.984 -3.812 149 HA3 GLY 559 3HA GLY 559 11.399 -5.678 -3.008 150 H VAL 560 HN VAL 560 8.412 -5.364 -1.835 151 HA VAL 560 HA VAL 560 8.964 -7.155 0.440 152 HB VAL 560 HB VAL 560 7.286 -4.648 0.508 153 HG11 VAL 560 1HG1 VAL 560 6.807 -6.293 2.253 154 HG12 VAL 560 2HG1 VAL 560 8.511 -6.307 2.710 155 HG13 VAL 560 3HG1 VAL 560 7.551 -4.842 2.925 156 HG21 VAL 560 3HG2 VAL 560 9.592 -4.147 1.945 157 HG22 VAL 560 1HG2 VAL 560 10.173 -4.966 0.495 158 HG23 VAL 560 2HG2 VAL 560 9.196 -3.504 0.352 159 H PHE 561 HN PHE 561 6.652 -6.212 -1.958 160 HA PHE 561 HA PHE 561 4.993 -8.478 -1.308 161 HB2 PHE 561 3HB PHE 561 4.071 -5.650 -0.873 162 HB3 PHE 561 2HB PHE 561 2.915 -6.896 -1.348 163 HD1 PHE 561 1HD PHE 561 2.665 -8.950 0.096 164 HD2 PHE 561 2HD PHE 561 4.766 -5.473 1.365 165 HE1 PHE 561 1HE PHE 561 2.452 -9.680 2.435 166 HE2 PHE 561 2HE PHE 561 4.556 -6.197 3.707 167 HZ PHE 561 HZ PHE 561 3.399 -8.303 4.245 168 HA PRO 562 HA PRO 562 4.224 -8.472 -5.626 169 HB2 PRO 562 3HB PRO 562 1.678 -9.470 -5.768 170 HB3 PRO 562 2HB PRO 562 3.079 -10.441 -5.325 171 HG2 PRO 562 3HG PRO 562 1.059 -9.104 -3.558 172 HG3 PRO 562 2HG PRO 562 1.733 -10.774 -3.458 173 HD2 PRO 562 3HD PRO 562 2.585 -8.751 -1.861 174 HD3 PRO 562 2HD PRO 562 3.661 -10.038 -2.432 175 HA PRO 563 HA PRO 563 2.063 -4.905 -7.016 176 HB2 PRO 563 3HB PRO 563 1.057 -5.703 -9.434 177 HB3 PRO 563 2HB PRO 563 2.772 -5.409 -9.143 178 HG2 PRO 563 3HG PRO 563 1.259 -7.998 -9.132 179 HG3 PRO 563 2HG PRO 563 2.847 -7.608 -9.893 180 HD2 PRO 563 3HD PRO 563 2.640 -8.946 -7.540 181 HD3 PRO 563 2HD PRO 563 3.971 -7.832 -7.893 182 H HIS 564 HN HIS 564 0.135 -7.862 -7.509 183 HA HIS 564 HA HIS 564 -2.377 -6.693 -7.676 184 HB2 HIS 564 3HB HIS 564 -3.251 -8.813 -7.466 185 HB3 HIS 564 2HB HIS 564 -1.590 -9.187 -7.932 186 HD1 HIS 564 1HD HIS 564 -0.038 -10.223 -6.142 187 HD2 HIS 564 2HD HIS 564 -3.921 -9.534 -4.833 188 HE1 HIS 564 1HE HIS 564 -0.250 -11.481 -3.975 189 HE2 HIS 564 2HE HIS 564 -2.622 -11.059 -3.173 190 H LEU 565 HN LEU 565 -0.329 -7.163 -4.927 191 HA LEU 565 HA LEU 565 -2.436 -6.773 -2.988 192 HB2 LEU 565 3HB LEU 565 0.462 -7.356 -2.945 193 HB3 LEU 565 2HB LEU 565 -0.166 -6.425 -1.574 194 HG LEU 565 HG LEU 565 -1.115 -9.155 -2.441 195 HD11 LEU 565 1HD1 LEU 565 0.750 -9.772 -1.354 196 HD12 LEU 565 2HD1 LEU 565 -0.193 -9.409 0.092 197 HD13 LEU 565 3HD1 LEU 565 0.926 -8.210 -0.553 198 HD21 LEU 565 3HD2 LEU 565 -2.086 -7.203 -0.402 199 HD22 LEU 565 1HD2 LEU 565 -2.203 -8.933 -0.077 200 HD23 LEU 565 2HD2 LEU 565 -3.003 -8.247 -1.491 201 H VAL 566 HN VAL 566 0.544 -4.965 -3.770 202 HA VAL 566 HA VAL 566 -0.040 -2.666 -2.332 203 HB VAL 566 HB VAL 566 1.510 -2.872 -4.918 204 HG11 VAL 566 1HG1 VAL 566 1.348 -0.696 -2.845 205 HG12 VAL 566 2HG1 VAL 566 2.655 -0.815 -4.022 206 HG13 VAL 566 3HG1 VAL 566 0.995 -0.582 -4.568 207 HG21 VAL 566 3HG2 VAL 566 2.185 -4.284 -2.865 208 HG22 VAL 566 1HG2 VAL 566 3.421 -3.312 -3.665 209 HG23 VAL 566 2HG2 VAL 566 2.687 -2.745 -2.164 210 H GLU 567 HN GLU 567 -0.743 -3.384 -5.745 211 HA GLU 567 HA GLU 567 -1.893 -0.963 -6.457 212 HB2 GLU 567 3HB GLU 567 -2.421 -3.782 -7.391 213 HB3 GLU 567 2HB GLU 567 -3.225 -2.381 -8.115 214 HG2 GLU 567 3HG GLU 567 -0.773 -1.484 -8.375 215 HG3 GLU 567 2HG GLU 567 -0.370 -3.203 -8.251 216 HE2 GLU 567 HE GLU 567 -1.077 -3.558 -11.571 217 H ALA 568 HN ALA 568 -3.216 -3.619 -4.618 218 HA ALA 568 HA ALA 568 -5.919 -2.598 -4.706 219 HB1 ALA 568 1HB ALA 568 -5.214 -4.619 -2.680 220 HB2 ALA 568 2HB ALA 568 -6.550 -4.579 -3.830 221 HB3 ALA 568 3HB ALA 568 -4.945 -5.083 -4.360 222 H VAL 569 HN VAL 569 -3.568 -3.175 -2.079 223 HA VAL 569 HA VAL 569 -4.922 -1.883 -0.044 224 HB VAL 569 HB VAL 569 -1.923 -1.876 -0.397 225 HG11 VAL 569 1HG1 VAL 569 -3.654 -1.742 2.071 226 HG12 VAL 569 2HG1 VAL 569 -1.891 -1.824 2.055 227 HG13 VAL 569 3HG1 VAL 569 -2.715 -0.417 1.385 228 HG21 VAL 569 3HG2 VAL 569 -2.702 -3.939 1.339 229 HG22 VAL 569 1HG2 VAL 569 -3.742 -4.072 -0.081 230 HG23 VAL 569 2HG2 VAL 569 -1.988 -4.094 -0.266 231 H MET 570 HN MET 570 -2.790 -0.527 -2.509 232 HA MET 570 HA MET 570 -2.525 2.055 -1.488 233 HB2 MET 570 3HB MET 570 -2.399 0.864 -4.233 234 HB3 MET 570 2HB MET 570 -2.379 2.624 -4.054 235 HG2 MET 570 3HG MET 570 -0.496 1.933 -2.235 236 HG3 MET 570 2HG MET 570 -0.310 0.639 -3.420 237 HE1 MET 570 3HE MET 570 2.644 2.745 -4.053 238 HE2 MET 570 1HE MET 570 1.860 3.907 -2.983 239 HE3 MET 570 2HE MET 570 1.807 2.186 -2.604 240 H ARG 571 HN ARG 571 -5.203 0.505 -3.053 241 HA ARG 571 HA ARG 571 -6.594 2.895 -3.775 242 HB2 ARG 571 3HB ARG 571 -6.851 0.400 -4.613 243 HB3 ARG 571 2HB ARG 571 -8.033 0.324 -3.298 244 HG2 ARG 571 3HG ARG 571 -8.229 2.615 -5.179 245 HG3 ARG 571 2HG ARG 571 -8.706 1.012 -5.765 246 HD2 ARG 571 3HD ARG 571 -9.984 0.986 -3.405 247 HD3 ARG 571 2HD ARG 571 -9.960 2.730 -3.704 248 HE ARG 571 HE ARG 571 -10.849 1.298 -5.997 249 HH11 ARG 571 1HH1 ARG 571 -11.853 2.458 -2.872 250 HH12 ARG 571 2HH1 ARG 571 -13.528 2.556 -3.302 251 HH21 ARG 571 1HH2 ARG 571 -13.052 1.423 -6.575 252 HH22 ARG 571 2HH2 ARG 571 -14.209 1.966 -5.408 253 H ARG 572 HN ARG 572 -5.945 1.479 -0.829 254 HA ARG 572 HA ARG 572 -8.439 2.365 0.417 255 HB2 ARG 572 3HB ARG 572 -7.463 0.111 0.943 256 HB3 ARG 572 2HB ARG 572 -6.107 0.950 1.711 257 HG2 ARG 572 3HG ARG 572 -7.360 0.625 3.564 258 HG3 ARG 572 2HG ARG 572 -8.105 2.135 3.015 259 HD2 ARG 572 3HD ARG 572 -9.991 1.061 2.162 260 HD3 ARG 572 2HD ARG 572 -9.160 -0.498 2.064 261 HE ARG 572 HE ARG 572 -9.236 0.133 4.742 262 HH11 ARG 572 1HH1 ARG 572 -11.555 -0.363 2.194 263 HH12 ARG 572 2HH1 ARG 572 -12.792 -0.951 3.256 264 HH21 ARG 572 1HH2 ARG 572 -10.856 -0.638 6.150 265 HH22 ARG 572 2HH2 ARG 572 -12.393 -1.106 5.506 266 H PHE 573 HN PHE 573 -4.968 2.982 0.448 267 HA PHE 573 HA PHE 573 -5.461 5.354 2.124 268 HB2 PHE 573 3HB PHE 573 -3.004 3.621 1.813 269 HB3 PHE 573 2HB PHE 573 -2.961 5.206 2.589 270 HD1 PHE 573 2HD PHE 573 -4.759 1.953 2.794 271 HD2 PHE 573 1HD PHE 573 -3.331 5.392 4.856 272 HE1 PHE 573 2HE PHE 573 -5.438 0.947 4.934 273 HE2 PHE 573 1HE PHE 573 -4.008 4.391 6.999 274 HZ PHE 573 HZ PHE 573 -5.064 2.166 7.041 275 HA PRO 574 HA PRO 574 -4.345 6.877 -2.115 276 HB2 PRO 574 3HB PRO 574 -6.260 8.835 -2.176 277 HB3 PRO 574 2HB PRO 574 -6.558 7.167 -2.665 278 HG2 PRO 574 3HG PRO 574 -7.129 8.510 -0.045 279 HG3 PRO 574 2HG PRO 574 -8.180 7.416 -1.019 280 HD2 PRO 574 3HD PRO 574 -6.811 6.570 1.167 281 HD3 PRO 574 2HD PRO 574 -7.108 5.531 -0.237 282 H GLN 575 HN GLN 575 -4.392 8.073 1.059 283 HA GLN 575 HA GLN 575 -2.967 10.518 0.241 284 HB2 GLN 575 3HB GLN 575 -3.658 11.566 2.261 285 HB3 GLN 575 2HB GLN 575 -5.094 10.801 1.563 286 HG2 GLN 575 3HG GLN 575 -4.806 8.894 3.103 287 HG3 GLN 575 2HG GLN 575 -3.436 9.738 3.837 288 HE21 GLN 575 1HE2 GLN 575 -6.796 9.348 3.804 289 HE22 GLN 575 2HE2 GLN 575 -7.198 10.593 4.931 290 H LEU 576 HN LEU 576 -2.638 7.484 1.699 291 HA LEU 576 HA LEU 576 0.013 8.242 2.728 292 HB2 LEU 576 3HB LEU 576 -2.209 7.116 4.160 293 HB3 LEU 576 2HB LEU 576 -0.858 5.969 4.142 294 HG LEU 576 HG LEU 576 -0.818 8.789 5.210 295 HD11 LEU 576 1HD1 LEU 576 -0.223 7.519 7.325 296 HD12 LEU 576 2HD1 LEU 576 -0.774 6.070 6.485 297 HD13 LEU 576 3HD1 LEU 576 -1.894 7.401 6.772 298 HD21 LEU 576 3HD2 LEU 576 1.345 6.923 4.465 299 HD22 LEU 576 1HD2 LEU 576 1.502 7.718 6.031 300 HD23 LEU 576 2HD2 LEU 576 1.345 8.686 4.565 301 H LEU 577 HN LEU 577 1.564 7.243 1.644 302 HA LEU 577 HA LEU 577 1.098 4.497 0.706 303 HB2 LEU 577 3HB LEU 577 2.290 6.802 -0.832 304 HB3 LEU 577 2HB LEU 577 2.503 5.108 -1.305 305 HG LEU 577 HG LEU 577 0.774 6.000 -2.660 306 HD11 LEU 577 1HD1 LEU 577 -0.884 4.625 -0.611 307 HD12 LEU 577 2HD1 LEU 577 0.462 3.746 -1.336 308 HD13 LEU 577 3HD1 LEU 577 -0.820 4.394 -2.358 309 HD21 LEU 577 3HD2 LEU 577 -1.059 6.703 -0.465 310 HD22 LEU 577 1HD2 LEU 577 -0.792 7.487 -2.022 311 HD23 LEU 577 2HD2 LEU 577 0.320 7.780 -0.685 312 H ASP 578 HN ASP 578 2.339 3.510 2.237 313 HA ASP 578 HA ASP 578 5.211 4.154 2.179 314 HB2 ASP 578 3HB ASP 578 3.374 3.997 4.481 315 HB3 ASP 578 2HB ASP 578 4.880 3.091 4.676 316 HD2 ASP 578 HD ASP 578 6.659 5.952 5.239 317 HA PRO 579 HA PRO 579 5.904 -0.092 1.309 318 HB2 PRO 579 3HB PRO 579 8.351 -0.472 2.480 319 HB3 PRO 579 2HB PRO 579 8.113 0.459 1.001 320 HG2 PRO 579 3HG PRO 579 8.363 1.416 3.834 321 HG3 PRO 579 2HG PRO 579 9.149 2.053 2.340 322 HD2 PRO 579 3HD PRO 579 6.984 3.235 3.478 323 HD3 PRO 579 2HD PRO 579 7.257 3.219 1.726 324 H GLN 580 HN GLN 580 6.786 0.746 4.665 325 HA GLN 580 HA GLN 580 6.187 -1.913 5.596 326 HB2 GLN 580 3HB GLN 580 7.092 0.639 6.901 327 HB3 GLN 580 2HB GLN 580 6.545 -0.731 7.881 328 HG2 GLN 580 3HG GLN 580 8.609 -1.528 7.795 329 HG3 GLN 580 2HG GLN 580 8.339 -1.840 6.075 330 HE21 GLN 580 1HE2 GLN 580 9.425 -0.686 4.590 331 HE22 GLN 580 2HE2 GLN 580 10.534 0.587 4.958 332 H GLN 581 HN GLN 581 4.808 1.323 6.159 333 HA GLN 581 HA GLN 581 2.725 0.705 7.815 334 HB2 GLN 581 3HB GLN 581 3.486 2.907 6.293 335 HB3 GLN 581 2HB GLN 581 1.852 2.528 5.723 336 HG2 GLN 581 3HG GLN 581 0.936 2.753 7.908 337 HG3 GLN 581 2HG GLN 581 2.549 2.862 8.626 338 HE21 GLN 581 1HE2 GLN 581 3.839 4.633 7.082 339 HE22 GLN 581 2HE2 GLN 581 3.066 6.177 7.135 340 H LEU 582 HN LEU 582 2.545 0.739 4.252 341 HA LEU 582 HA LEU 582 -0.041 -0.175 3.955 342 HB2 LEU 582 3HB LEU 582 2.432 -0.518 2.283 343 HB3 LEU 582 2HB LEU 582 0.884 -1.230 1.791 344 HG LEU 582 HG LEU 582 1.390 1.714 2.231 345 HD11 LEU 582 1HD1 LEU 582 0.721 1.345 -0.399 346 HD12 LEU 582 2HD1 LEU 582 1.759 -0.042 -0.068 347 HD13 LEU 582 3HD1 LEU 582 2.354 1.592 0.221 348 HD21 LEU 582 3HD2 LEU 582 -0.808 2.017 2.142 349 HD22 LEU 582 1HD2 LEU 582 -1.007 0.269 2.266 350 HD23 LEU 582 2HD2 LEU 582 -0.934 1.036 0.680 351 H ALA 583 HN ALA 583 2.909 -2.030 4.501 352 HA ALA 583 HA ALA 583 2.017 -4.598 4.038 353 HB1 ALA 583 1HB ALA 583 3.808 -5.362 5.353 354 HB2 ALA 583 2HB ALA 583 4.348 -3.819 4.688 355 HB3 ALA 583 3HB ALA 583 3.796 -3.914 6.360 356 H ALA 584 HN ALA 584 1.775 -2.730 7.057 357 HA ALA 584 HA ALA 584 0.605 -4.624 8.687 358 HB1 ALA 584 1HB ALA 584 -0.310 -1.775 8.778 359 HB2 ALA 584 2HB ALA 584 0.006 -2.891 10.108 360 HB3 ALA 584 3HB ALA 584 1.350 -2.202 9.197 361 H GLU 585 HN GLU 585 -0.902 -2.579 6.242 362 HA GLU 585 HA GLU 585 -3.579 -3.320 6.897 363 HB2 GLU 585 3HB GLU 585 -2.361 -2.042 4.443 364 HB3 GLU 585 2HB GLU 585 -4.099 -2.313 4.643 365 HG2 GLU 585 3HG GLU 585 -2.467 -0.724 6.610 366 HG3 GLU 585 2HG GLU 585 -3.244 -0.003 5.195 367 HE2 GLU 585 HE GLU 585 -5.461 -0.008 8.175 368 H ILE 586 HN ILE 586 -1.117 -4.560 4.743 369 HA ILE 586 HA ILE 586 -2.806 -6.255 3.217 370 HB ILE 586 HB ILE 586 0.157 -6.500 3.751 371 HG12 ILE 586 1HG1 ILE 586 -1.152 -5.431 1.258 372 HG13 ILE 586 2HG1 ILE 586 -0.795 -4.372 2.633 373 HG21 ILE 586 1HG2 ILE 586 -0.329 -8.570 2.912 374 HG22 ILE 586 2HG2 ILE 586 -1.728 -7.997 2.007 375 HG23 ILE 586 3HG2 ILE 586 -0.100 -7.680 1.406 376 HD11 ILE 586 3HD1 ILE 586 1.475 -6.009 1.812 377 HD12 ILE 586 1HD1 ILE 586 0.908 -4.890 0.572 378 HD13 ILE 586 2HD1 ILE 586 1.380 -4.283 2.159 379 H LEU 587 HN LEU 587 -0.909 -6.721 6.159 380 HA LEU 587 HA LEU 587 -1.213 -9.495 6.398 381 HB2 LEU 587 3HB LEU 587 -0.706 -7.272 8.345 382 HB3 LEU 587 2HB LEU 587 -0.986 -8.921 8.926 383 HG LEU 587 HG LEU 587 1.122 -8.447 6.865 384 HD11 LEU 587 1HD1 LEU 587 2.204 -7.022 8.189 385 HD12 LEU 587 2HD1 LEU 587 2.465 -8.387 9.273 386 HD13 LEU 587 3HD1 LEU 587 1.099 -7.303 9.533 387 HD21 LEU 587 3HD2 LEU 587 0.185 -10.664 8.177 388 HD22 LEU 587 1HD2 LEU 587 1.611 -10.231 9.121 389 HD23 LEU 587 2HD2 LEU 587 1.756 -10.525 7.388 390 H SER 588 HN SER 588 -3.300 -6.832 7.360 391 HA SER 588 HA SER 588 -5.154 -8.530 8.763 392 HB2 SER 588 1HB SER 588 -4.653 -5.988 9.134 393 HB3 SER 588 2HB SER 588 -5.823 -5.757 7.821 394 HG SER 588 HG SER 588 -6.763 -5.750 9.953 395 H TYR 589 HN TYR 589 -5.082 -6.848 5.644 396 HA TYR 589 HA TYR 589 -7.644 -7.446 4.759 397 HB2 TYR 589 3HB TYR 589 -6.297 -5.885 3.538 398 HB3 TYR 589 2HB TYR 589 -5.065 -7.110 3.223 399 HD1 TYR 589 2HD TYR 589 -8.780 -7.110 2.792 400 HD2 TYR 589 1HD TYR 589 -4.966 -7.577 0.966 401 HE1 TYR 589 2HE TYR 589 -9.875 -7.695 0.669 402 HE2 TYR 589 1HE TYR 589 -6.049 -8.161 -1.163 403 HH TYR 589 HH TYR 589 -8.384 -7.655 -2.239 404 H LYS 590 HN LYS 590 -4.675 -9.356 4.516 405 HA LYS 590 HA LYS 590 -5.889 -11.480 3.037 406 HB2 LYS 590 3HB LYS 590 -3.314 -11.382 4.628 407 HB3 LYS 590 2HB LYS 590 -3.794 -12.710 3.561 408 HG2 LYS 590 3HG LYS 590 -3.621 -9.912 2.502 409 HG3 LYS 590 2HG LYS 590 -2.164 -10.907 2.685 410 HD2 LYS 590 3HD LYS 590 -4.543 -12.075 1.299 411 HD3 LYS 590 2HD LYS 590 -3.522 -10.913 0.434 412 HE2 LYS 590 3HE LYS 590 -2.436 -12.843 -0.138 413 HE3 LYS 590 2HE LYS 590 -1.587 -12.457 1.366 414 HZ1 LYS 590 3HZ LYS 590 -2.743 -14.814 0.855 415 HZ2 LYS 590 1HZ LYS 590 -3.985 -14.039 1.702 416 HZ3 LYS 590 2HZ LYS 590 -2.460 -14.219 2.412 417 H SER 591 HN SER 591 -4.818 -11.169 6.422 418 HA SER 591 HA SER 591 -5.646 -13.652 7.337 419 HB2 SER 591 1HB SER 591 -4.262 -12.086 8.656 420 HB3 SER 591 2HB SER 591 -5.676 -11.038 8.867 421 HG SER 591 HG SER 591 -5.736 -12.255 10.646 422 H GLN 592 HN GLN 592 -7.506 -10.769 6.692 423 HA GLN 592 HA GLN 592 -9.853 -11.519 8.090 424 HB2 GLN 592 3HB GLN 592 -9.130 -9.494 6.031 425 HB3 GLN 592 2HB GLN 592 -10.847 -9.888 6.221 426 HG2 GLN 592 3HG GLN 592 -10.614 -9.399 8.665 427 HG3 GLN 592 2HG GLN 592 -8.982 -8.811 8.318 428 HE21 GLN 592 1HE2 GLN 592 -12.273 -8.412 7.043 429 HE22 GLN 592 2HE2 GLN 592 -12.179 -6.696 6.867 430 H HIS 593 HN HIS 593 -8.705 -12.074 4.809 431 HA HIS 593 HA HIS 593 -11.081 -13.743 4.311 432 HB2 HIS 593 3HB HIS 593 -9.215 -12.433 2.315 433 HB3 HIS 593 2HB HIS 593 -10.609 -13.438 1.907 434 HD1 HIS 593 1HD HIS 593 -10.806 -10.788 0.709 435 HD2 HIS 593 2HD HIS 593 -12.026 -11.454 4.624 436 HE1 HIS 593 1HE HIS 593 -12.406 -8.922 1.240 437 HE2 HIS 593 2HE HIS 593 -13.154 -9.329 3.633 438 H LEU 594 HN LEU 594 -9.138 -14.872 5.845 439 HA LEU 594 HA LEU 594 -7.425 -16.460 4.098 440 HB2 LEU 594 3HB LEU 594 -6.571 -15.439 6.219 441 HB3 LEU 594 2HB LEU 594 -7.646 -16.537 7.103 442 HG LEU 594 HG LEU 594 -6.356 -18.408 5.837 443 HD11 LEU 594 1HD1 LEU 594 -3.873 -17.446 5.742 444 HD12 LEU 594 2HD1 LEU 594 -4.749 -15.986 5.283 445 HD13 LEU 594 3HD1 LEU 594 -4.942 -17.463 4.340 446 HD21 LEU 594 3HD2 LEU 594 -6.190 -18.352 8.163 447 HD22 LEU 594 1HD2 LEU 594 -5.379 -16.786 8.162 448 HD23 LEU 594 2HD2 LEU 594 -4.517 -18.227 7.620 449 H SER 595 HN SER 595 -7.757 -18.552 3.615 450 HA SER 595 HA SER 595 -10.265 -19.753 4.489 451 HB2 SER 595 1HB SER 595 -9.294 -19.643 2.039 452 HB3 SER 595 2HB SER 595 -8.402 -21.084 2.559 453 HG SER 595 HG SER 595 -11.214 -20.807 2.800 454 H GLU 596 HN GLU 596 -10.435 -21.515 5.763 455 HA GLU 596 HA GLU 596 -8.195 -23.240 6.297 456 HB2 GLU 596 3HB GLU 596 -8.050 -22.831 8.685 457 HB3 GLU 596 2HB GLU 596 -7.709 -21.340 7.793 458 HG2 GLU 596 3HG GLU 596 -9.083 -20.507 9.398 459 HG3 GLU 596 2HG GLU 596 -10.279 -20.923 8.162 460 HE2 GLU 596 HE GLU 596 -11.751 -23.291 10.171 Start of MODEL 6 1 H1 GLY 540 HN GLY 540 0.032 29.838 -13.221 2 HA2 GLY 540 2HA GLY 540 -2.153 28.710 -11.594 3 HA3 GLY 540 3HA GLY 540 -2.219 28.621 -13.347 4 HA PRO 541 HA PRO 541 1.479 25.802 -12.012 5 HB2 PRO 541 3HB PRO 541 1.779 25.350 -9.328 6 HB3 PRO 541 2HB PRO 541 2.561 26.677 -10.183 7 HG2 PRO 541 3HG PRO 541 0.030 26.682 -8.574 8 HG3 PRO 541 2HG PRO 541 1.396 27.858 -8.553 9 HD2 PRO 541 3HD PRO 541 -0.935 28.345 -9.856 10 HD3 PRO 541 2HD PRO 541 0.631 28.931 -10.444 11 H HIS 542 HN HIS 542 1.620 23.573 -10.823 12 HA HIS 542 HA HIS 542 -1.105 22.468 -10.622 13 HB2 HIS 542 3HB HIS 542 0.294 21.874 -12.699 14 HB3 HIS 542 2HB HIS 542 1.274 20.900 -11.600 15 HD1 HIS 542 1HD HIS 542 -2.445 21.211 -12.387 16 HD2 HIS 542 2HD HIS 542 0.425 18.346 -11.478 17 HE1 HIS 542 1HE HIS 542 -3.647 19.003 -12.476 18 HE2 HIS 542 2HE HIS 542 -1.894 17.252 -11.921 19 H MET 543 HN MET 543 -1.221 20.412 -9.375 20 HA MET 543 HA MET 543 0.656 20.493 -7.105 21 HB2 MET 543 3HB MET 543 -2.251 19.645 -7.162 22 HB3 MET 543 2HB MET 543 -1.194 19.561 -5.746 23 HG2 MET 543 3HG MET 543 -0.910 22.011 -5.825 24 HG3 MET 543 2HG MET 543 -2.021 22.064 -7.196 25 HE1 MET 543 3HE MET 543 -4.767 23.382 -5.148 26 HE2 MET 543 1HE MET 543 -3.445 23.704 -6.270 27 HE3 MET 543 2HE MET 543 -4.713 22.560 -6.708 28 H GLY 544 HN GLY 544 0.222 18.198 -5.838 29 HA2 GLY 544 2HA GLY 544 -0.031 15.807 -6.254 30 HA3 GLY 544 3HA GLY 544 0.608 16.088 -7.867 31 H ASP 545 HN ASP 545 1.584 16.693 -4.488 32 HA ASP 545 HA ASP 545 4.367 16.305 -5.185 33 HB2 ASP 545 3HB ASP 545 3.343 16.576 -2.370 34 HB3 ASP 545 2HB ASP 545 4.884 17.111 -3.051 35 HD2 ASP 545 HD ASP 545 3.562 20.123 -4.101 36 H LEU 546 HN LEU 546 1.773 14.503 -3.731 37 HA LEU 546 HA LEU 546 3.194 12.553 -2.341 38 HB2 LEU 546 3HB LEU 546 0.519 12.691 -3.646 39 HB3 LEU 546 2HB LEU 546 1.130 11.103 -3.152 40 HG LEU 546 HG LEU 546 -0.380 12.169 -1.493 41 HD11 LEU 546 1HD1 LEU 546 1.198 10.482 -0.779 42 HD12 LEU 546 2HD1 LEU 546 1.063 11.736 0.453 43 HD13 LEU 546 3HD1 LEU 546 2.466 11.697 -0.615 44 HD21 LEU 546 3HD2 LEU 546 0.220 14.485 -1.801 45 HD22 LEU 546 1HD2 LEU 546 1.873 14.162 -1.274 46 HD23 LEU 546 2HD2 LEU 546 0.538 14.016 -0.130 47 H ALA 547 HN ALA 547 2.758 13.018 -5.746 48 HA ALA 547 HA ALA 547 3.173 10.493 -6.779 49 HB1 ALA 547 1HB ALA 547 3.697 13.244 -7.732 50 HB2 ALA 547 2HB ALA 547 4.503 11.932 -8.593 51 HB3 ALA 547 3HB ALA 547 2.745 11.950 -8.460 52 H LYS 548 HN LYS 548 5.458 12.662 -5.278 53 HA LYS 548 HA LYS 548 7.819 11.345 -6.168 54 HB2 LYS 548 3HB LYS 548 7.479 13.728 -5.136 55 HB3 LYS 548 2HB LYS 548 7.695 12.879 -3.596 56 HG2 LYS 548 3HG LYS 548 9.888 12.163 -4.194 57 HG3 LYS 548 2HG LYS 548 9.672 12.731 -5.859 58 HD2 LYS 548 3HD LYS 548 9.720 15.006 -5.211 59 HD3 LYS 548 2HD LYS 548 9.514 14.593 -3.501 60 HE2 LYS 548 3HE LYS 548 11.936 13.853 -5.161 61 HE3 LYS 548 2HE LYS 548 11.833 15.263 -4.096 62 HZ1 LYS 548 3HZ LYS 548 12.906 13.509 -2.921 63 HZ2 LYS 548 1HZ LYS 548 11.673 12.411 -3.290 64 HZ3 LYS 548 2HZ LYS 548 11.369 13.704 -2.243 65 H GLU 549 HN GLU 549 5.753 11.039 -3.326 66 HA GLU 549 HA GLU 549 7.437 9.254 -1.906 67 HB2 GLU 549 3HB GLU 549 4.832 10.453 -1.573 68 HB3 GLU 549 2HB GLU 549 4.780 8.734 -1.150 69 HG2 GLU 549 3HG GLU 549 6.550 10.865 0.036 70 HG3 GLU 549 2HG GLU 549 5.257 9.956 0.831 71 HE2 GLU 549 HE GLU 549 8.831 8.334 0.583 72 H ARG 550 HN ARG 550 4.370 8.612 -3.617 73 HA ARG 550 HA ARG 550 4.420 5.857 -3.502 74 HB2 ARG 550 3HB ARG 550 2.490 7.129 -4.290 75 HB3 ARG 550 2HB ARG 550 3.381 7.594 -5.747 76 HG2 ARG 550 3HG ARG 550 3.165 5.542 -6.727 77 HG3 ARG 550 2HG ARG 550 3.064 4.699 -5.172 78 HD2 ARG 550 3HD ARG 550 0.911 4.662 -6.355 79 HD3 ARG 550 2HD ARG 550 0.812 5.545 -4.827 80 HE ARG 550 HE ARG 550 1.371 7.336 -6.938 81 HH11 ARG 550 1HH1 ARG 550 -1.198 5.396 -5.613 82 HH12 ARG 550 2HH1 ARG 550 -2.457 6.430 -6.202 83 HH21 ARG 550 1HH2 ARG 550 -0.278 8.704 -7.718 84 HH22 ARG 550 2HH2 ARG 550 -1.934 8.312 -7.399 85 H ALA 551 HN ALA 551 6.075 8.006 -5.741 86 HA ALA 551 HA ALA 551 6.893 6.226 -7.689 87 HB1 ALA 551 1HB ALA 551 7.690 8.845 -6.776 88 HB2 ALA 551 2HB ALA 551 9.081 7.903 -7.314 89 HB3 ALA 551 3HB ALA 551 7.716 8.163 -8.402 90 H GLY 552 HN GLY 552 8.784 7.174 -4.808 91 HA2 GLY 552 2HA GLY 552 10.691 5.072 -5.211 92 HA3 GLY 552 3HA GLY 552 10.591 6.134 -3.815 93 H VAL 553 HN VAL 553 8.060 5.599 -2.881 94 HA VAL 553 HA VAL 553 8.415 3.383 -1.276 95 HB VAL 553 HB VAL 553 5.791 4.590 -2.161 96 HG11 VAL 553 1HG1 VAL 553 5.044 3.657 0.098 97 HG12 VAL 553 2HG1 VAL 553 5.241 2.510 -1.230 98 HG13 VAL 553 3HG1 VAL 553 6.483 2.641 0.015 99 HG21 VAL 553 3HG2 VAL 553 6.116 6.252 -0.694 100 HG22 VAL 553 1HG2 VAL 553 6.788 5.168 0.523 101 HG23 VAL 553 2HG2 VAL 553 7.817 5.795 -0.763 102 H TYR 554 HN TYR 554 6.290 3.585 -4.136 103 HA TYR 554 HA TYR 554 5.447 0.962 -4.220 104 HB2 TYR 554 3HB TYR 554 4.501 2.663 -5.670 105 HB3 TYR 554 2HB TYR 554 6.036 2.830 -6.526 106 HD1 TYR 554 1HD TYR 554 3.087 0.699 -6.070 107 HD2 TYR 554 2HD TYR 554 6.763 1.191 -8.155 108 HE1 TYR 554 1HE TYR 554 2.401 -1.034 -7.674 109 HE2 TYR 554 2HE TYR 554 6.087 -0.540 -9.766 110 HH TYR 554 HH TYR 554 3.064 -1.552 -10.218 111 H THR 555 HN THR 555 8.440 2.360 -5.460 112 HA THR 555 HA THR 555 9.408 0.209 -6.922 113 HB THR 555 HB THR 555 11.135 2.014 -5.228 114 HG1 THR 555 1HG THR 555 10.071 3.489 -6.381 115 HG21 THR 555 3HG2 THR 555 12.877 1.488 -6.655 116 HG22 THR 555 1HG2 THR 555 11.799 1.002 -7.962 117 HG23 THR 555 2HG2 THR 555 12.021 -0.050 -6.564 118 H LYS 556 HN LYS 556 9.742 0.891 -3.458 119 HA LYS 556 HA LYS 556 11.273 -1.483 -2.955 120 HB2 LYS 556 3HB LYS 556 10.207 0.782 -1.376 121 HB3 LYS 556 2HB LYS 556 10.396 -0.746 -0.500 122 HG2 LYS 556 3HG LYS 556 12.430 0.254 -0.121 123 HG3 LYS 556 2HG LYS 556 12.777 -0.749 -1.542 124 HD2 LYS 556 3HD LYS 556 12.488 1.167 -3.014 125 HD3 LYS 556 2HD LYS 556 12.052 2.181 -1.627 126 HE2 LYS 556 3HE LYS 556 14.226 2.144 -0.749 127 HE3 LYS 556 2HE LYS 556 14.677 0.733 -1.716 128 HZ1 LYS 556 3HZ LYS 556 15.148 1.992 -3.505 129 HZ2 LYS 556 1HZ LYS 556 15.347 3.221 -2.358 130 HZ3 LYS 556 2HZ LYS 556 13.896 3.094 -3.219 131 H LEU 557 HN LEU 557 7.898 -0.537 -2.704 132 HA LEU 557 HA LEU 557 6.908 -2.652 -1.196 133 HB2 LEU 557 3HB LEU 557 5.783 -0.804 -3.240 134 HB3 LEU 557 2HB LEU 557 4.836 -2.239 -2.810 135 HG LEU 557 HG LEU 557 5.800 -0.212 -0.796 136 HD11 LEU 557 1HD1 LEU 557 4.045 0.424 -2.705 137 HD12 LEU 557 2HD1 LEU 557 3.920 1.020 -1.051 138 HD13 LEU 557 3HD1 LEU 557 2.949 -0.359 -1.566 139 HD21 LEU 557 3HD2 LEU 557 3.737 -1.334 0.381 140 HD22 LEU 557 1HD2 LEU 557 5.331 -2.088 0.433 141 HD23 LEU 557 2HD2 LEU 557 4.118 -2.669 -0.708 142 H CYS 558 HN CYS 558 7.994 -2.565 -4.486 143 HA CYS 558 HA CYS 558 6.687 -4.915 -5.393 144 HB2 CYS 558 3HB CYS 558 9.035 -3.301 -6.330 145 HB3 CYS 558 2HB CYS 558 8.668 -4.857 -7.095 146 HG CYS 558 HG CYS 558 6.483 -2.226 -6.952 147 H GLY 559 HN GLY 559 9.445 -4.357 -3.413 148 HA2 GLY 559 2HA GLY 559 10.388 -7.114 -3.785 149 HA3 GLY 559 3HA GLY 559 11.278 -5.826 -2.987 150 H VAL 560 HN VAL 560 8.277 -5.469 -1.829 151 HA VAL 560 HA VAL 560 8.800 -7.253 0.457 152 HB VAL 560 HB VAL 560 7.177 -4.710 0.519 153 HG11 VAL 560 1HG1 VAL 560 6.654 -6.329 2.270 154 HG12 VAL 560 2HG1 VAL 560 8.358 -6.402 2.722 155 HG13 VAL 560 3HG1 VAL 560 7.449 -4.906 2.940 156 HG21 VAL 560 3HG2 VAL 560 9.511 -4.284 1.960 157 HG22 VAL 560 1HG2 VAL 560 10.049 -5.080 0.481 158 HG23 VAL 560 2HG2 VAL 560 9.104 -3.595 0.389 159 H PHE 561 HN PHE 561 6.500 -6.252 -1.932 160 HA PHE 561 HA PHE 561 4.798 -8.489 -1.288 161 HB2 PHE 561 3HB PHE 561 3.936 -5.646 -0.830 162 HB3 PHE 561 2HB PHE 561 2.753 -6.864 -1.307 163 HD1 PHE 561 1HD PHE 561 2.479 -8.929 0.122 164 HD2 PHE 561 2HD PHE 561 4.634 -5.491 1.406 165 HE1 PHE 561 1HE PHE 561 2.261 -9.671 2.458 166 HE2 PHE 561 2HE PHE 561 4.421 -6.228 3.745 167 HZ PHE 561 HZ PHE 561 3.234 -8.319 4.273 168 HA PRO 562 HA PRO 562 4.008 -8.439 -5.602 169 HB2 PRO 562 3HB PRO 562 1.439 -9.380 -5.737 170 HB3 PRO 562 2HB PRO 562 2.822 -10.385 -5.308 171 HG2 PRO 562 3HG PRO 562 0.839 -9.015 -3.521 172 HG3 PRO 562 2HG PRO 562 1.478 -10.700 -3.436 173 HD2 PRO 562 3HD PRO 562 2.383 -8.707 -1.829 174 HD3 PRO 562 2HD PRO 562 3.426 -10.012 -2.415 175 HA PRO 563 HA PRO 563 1.915 -4.818 -6.961 176 HB2 PRO 563 3HB PRO 563 0.873 -5.583 -9.376 177 HB3 PRO 563 2HB PRO 563 2.595 -5.328 -9.096 178 HG2 PRO 563 3HG PRO 563 1.025 -7.883 -9.084 179 HG3 PRO 563 2HG PRO 563 2.616 -7.525 -9.856 180 HD2 PRO 563 3HD PRO 563 2.395 -8.869 -7.508 181 HD3 PRO 563 2HD PRO 563 3.749 -7.783 -7.866 182 H HIS 564 HN HIS 564 -0.083 -7.731 -7.450 183 HA HIS 564 HA HIS 564 -2.569 -6.502 -7.591 184 HB2 HIS 564 3HB HIS 564 -3.492 -8.601 -7.388 185 HB3 HIS 564 2HB HIS 564 -1.843 -9.012 -7.873 186 HD1 HIS 564 1HD HIS 564 -0.297 -10.090 -6.100 187 HD2 HIS 564 2HD HIS 564 -4.156 -9.335 -4.760 188 HE1 HIS 564 1HE HIS 564 -0.519 -11.360 -3.941 189 HE2 HIS 564 2HE HIS 564 -2.879 -10.898 -3.120 190 H LEU 565 HN LEU 565 -0.509 -7.036 -4.863 191 HA LEU 565 HA LEU 565 -2.593 -6.610 -2.907 192 HB2 LEU 565 3HB LEU 565 0.290 -7.267 -2.887 193 HB3 LEU 565 2HB LEU 565 -0.306 -6.333 -1.504 194 HG LEU 565 HG LEU 565 -1.328 -9.032 -2.390 195 HD11 LEU 565 1HD1 LEU 565 -0.399 -9.331 0.133 196 HD12 LEU 565 2HD1 LEU 565 0.747 -8.155 -0.507 197 HD13 LEU 565 3HD1 LEU 565 0.527 -9.703 -1.321 198 HD21 LEU 565 3HD2 LEU 565 -3.173 -7.967 -1.437 199 HD22 LEU 565 1HD2 LEU 565 -2.189 -7.130 -0.237 200 HD23 LEU 565 2HD2 LEU 565 -2.463 -8.867 -0.095 201 H VAL 566 HN VAL 566 0.429 -4.876 -3.690 202 HA VAL 566 HA VAL 566 -0.090 -2.572 -2.233 203 HB VAL 566 HB VAL 566 1.451 -2.795 -4.823 204 HG11 VAL 566 1HG1 VAL 566 1.025 -0.498 -4.457 205 HG12 VAL 566 2HG1 VAL 566 1.334 -0.641 -2.725 206 HG13 VAL 566 3HG1 VAL 566 2.663 -0.788 -3.876 207 HG21 VAL 566 3HG2 VAL 566 3.172 -3.664 -3.681 208 HG22 VAL 566 1HG2 VAL 566 2.926 -2.583 -2.310 209 HG23 VAL 566 2HG2 VAL 566 1.973 -4.061 -2.450 210 H GLU 567 HN GLU 567 -0.804 -3.241 -5.654 211 HA GLU 567 HA GLU 567 -1.890 -0.789 -6.351 212 HB2 GLU 567 3HB GLU 567 -2.491 -3.587 -7.298 213 HB3 GLU 567 2HB GLU 567 -3.270 -2.167 -8.010 214 HG2 GLU 567 3HG GLU 567 -1.051 -1.257 -8.588 215 HG3 GLU 567 2HG GLU 567 -0.315 -2.733 -7.950 216 HE2 GLU 567 HE GLU 567 -2.566 -3.465 -11.123 217 H ALA 568 HN ALA 568 -3.285 -3.410 -4.518 218 HA ALA 568 HA ALA 568 -5.958 -2.312 -4.600 219 HB1 ALA 568 1HB ALA 568 -4.828 -4.577 -2.960 220 HB2 ALA 568 2HB ALA 568 -6.536 -4.157 -3.103 221 HB3 ALA 568 3HB ALA 568 -5.646 -4.727 -4.516 222 H VAL 569 HN VAL 569 -3.623 -2.968 -1.978 223 HA VAL 569 HA VAL 569 -4.935 -1.647 0.064 224 HB VAL 569 HB VAL 569 -1.937 -1.717 -0.298 225 HG11 VAL 569 1HG1 VAL 569 -2.820 -0.241 1.495 226 HG12 VAL 569 2HG1 VAL 569 -3.584 -1.653 2.227 227 HG13 VAL 569 3HG1 VAL 569 -1.827 -1.567 2.097 228 HG21 VAL 569 3HG2 VAL 569 -2.770 -3.763 1.435 229 HG22 VAL 569 1HG2 VAL 569 -3.810 -3.866 0.014 230 HG23 VAL 569 2HG2 VAL 569 -2.058 -3.932 -0.169 231 H MET 570 HN MET 570 -2.742 -0.335 -2.378 232 HA MET 570 HA MET 570 -2.417 2.232 -1.354 233 HB2 MET 570 3HB MET 570 -2.346 1.060 -4.111 234 HB3 MET 570 2HB MET 570 -2.258 2.817 -3.912 235 HG2 MET 570 3HG MET 570 -0.365 2.230 -2.190 236 HG3 MET 570 2HG MET 570 -0.303 0.723 -3.106 237 HE1 MET 570 3HE MET 570 2.133 3.982 -3.554 238 HE2 MET 570 1HE MET 570 1.779 2.640 -2.464 239 HE3 MET 570 2HE MET 570 2.741 2.366 -3.916 240 H ARG 571 HN ARG 571 -5.142 0.767 -2.923 241 HA ARG 571 HA ARG 571 -6.476 3.155 -3.686 242 HB2 ARG 571 3HB ARG 571 -6.912 0.792 -4.534 243 HB3 ARG 571 2HB ARG 571 -7.805 0.531 -3.029 244 HG2 ARG 571 3HG ARG 571 -8.546 2.931 -4.595 245 HG3 ARG 571 2HG ARG 571 -8.960 1.356 -5.291 246 HD2 ARG 571 3HD ARG 571 -10.459 0.845 -3.637 247 HD3 ARG 571 2HD ARG 571 -9.584 1.789 -2.424 248 HE ARG 571 HE ARG 571 -10.818 3.637 -2.998 249 HH11 ARG 571 1HH1 ARG 571 -11.247 1.157 -5.401 250 HH12 ARG 571 2HH1 ARG 571 -12.538 1.982 -6.212 251 HH21 ARG 571 1HH2 ARG 571 -12.516 4.735 -4.056 252 HH22 ARG 571 2HH2 ARG 571 -13.257 4.017 -5.446 253 H ARG 572 HN ARG 572 -5.977 1.627 -0.681 254 HA ARG 572 HA ARG 572 -8.322 2.805 0.574 255 HB2 ARG 572 3HB ARG 572 -7.482 0.524 1.184 256 HB3 ARG 572 2HB ARG 572 -6.046 1.299 1.870 257 HG2 ARG 572 3HG ARG 572 -7.392 2.471 3.504 258 HG3 ARG 572 2HG ARG 572 -8.870 1.814 2.779 259 HD2 ARG 572 3HD ARG 572 -6.666 0.101 3.944 260 HD3 ARG 572 2HD ARG 572 -8.094 0.628 4.845 261 HE ARG 572 HE ARG 572 -7.968 -1.475 2.920 262 HH11 ARG 572 1HH1 ARG 572 -10.047 0.956 4.293 263 HH12 ARG 572 2HH1 ARG 572 -11.507 0.095 3.935 264 HH21 ARG 572 1HH2 ARG 572 -9.883 -2.619 2.444 265 HH22 ARG 572 2HH2 ARG 572 -11.413 -1.938 2.885 266 H PHE 573 HN PHE 573 -4.831 3.246 0.472 267 HA PHE 573 HA PHE 573 -5.142 5.687 2.092 268 HB2 PHE 573 3HB PHE 573 -2.717 3.917 1.687 269 HB3 PHE 573 2HB PHE 573 -2.692 5.454 2.553 270 HD1 PHE 573 1HD PHE 573 -4.371 2.138 2.585 271 HD2 PHE 573 2HD PHE 573 -3.114 5.530 4.827 272 HE1 PHE 573 1HE PHE 573 -5.017 0.996 4.667 273 HE2 PHE 573 2HE PHE 573 -3.757 4.394 6.913 274 HZ PHE 573 HZ PHE 573 -4.709 2.124 6.836 275 HA PRO 574 HA PRO 574 -4.146 7.041 -2.230 276 HB2 PRO 574 3HB PRO 574 -5.959 9.093 -2.258 277 HB3 PRO 574 2HB PRO 574 -6.364 7.432 -2.687 278 HG2 PRO 574 3HG PRO 574 -6.742 8.870 -0.082 279 HG3 PRO 574 2HG PRO 574 -7.893 7.808 -0.976 280 HD2 PRO 574 3HD PRO 574 -6.465 6.949 1.168 281 HD3 PRO 574 2HD PRO 574 -6.882 5.890 -0.191 282 H GLN 575 HN GLN 575 -4.099 8.406 0.908 283 HA GLN 575 HA GLN 575 -2.507 10.691 -0.049 284 HB2 GLN 575 3HB GLN 575 -3.118 11.895 1.911 285 HB3 GLN 575 2HB GLN 575 -4.603 11.193 1.253 286 HG2 GLN 575 3HG GLN 575 -4.462 9.367 2.897 287 HG3 GLN 575 2HG GLN 575 -3.016 10.125 3.576 288 HE21 GLN 575 1HE2 GLN 575 -6.464 10.428 3.136 289 HE22 GLN 575 2HE2 GLN 575 -6.717 11.604 4.377 290 H LEU 576 HN LEU 576 -2.373 7.732 1.581 291 HA LEU 576 HA LEU 576 0.299 8.394 2.628 292 HB2 LEU 576 3HB LEU 576 -1.992 7.361 4.006 293 HB3 LEU 576 2HB LEU 576 -0.703 6.144 4.006 294 HG LEU 576 HG LEU 576 -0.545 8.950 5.101 295 HD11 LEU 576 1HD1 LEU 576 -0.613 6.218 6.357 296 HD12 LEU 576 2HD1 LEU 576 -1.717 7.569 6.616 297 HD13 LEU 576 3HD1 LEU 576 -0.062 7.657 7.215 298 HD21 LEU 576 3HD2 LEU 576 1.535 7.101 4.237 299 HD22 LEU 576 1HD2 LEU 576 1.703 7.599 5.921 300 HD23 LEU 576 2HD2 LEU 576 1.637 8.814 4.644 301 H LEU 577 HN LEU 577 1.838 7.362 1.556 302 HA LEU 577 HA LEU 577 1.314 4.628 0.611 303 HB2 LEU 577 3HB LEU 577 2.618 6.900 -0.885 304 HB3 LEU 577 2HB LEU 577 2.804 5.201 -1.354 305 HG LEU 577 HG LEU 577 1.140 6.144 -2.760 306 HD11 LEU 577 1HD1 LEU 577 -0.395 4.502 -2.561 307 HD12 LEU 577 2HD1 LEU 577 -0.700 4.842 -0.858 308 HD13 LEU 577 3HD1 LEU 577 0.721 3.910 -1.331 309 HD21 LEU 577 3HD2 LEU 577 -0.299 7.743 -2.165 310 HD22 LEU 577 1HD2 LEU 577 0.629 7.854 -0.668 311 HD23 LEU 577 2HD2 LEU 577 -0.826 6.858 -0.732 312 H ASP 578 HN ASP 578 2.478 3.598 2.175 313 HA ASP 578 HA ASP 578 5.370 4.144 2.199 314 HB2 ASP 578 3HB ASP 578 3.468 4.097 4.437 315 HB3 ASP 578 2HB ASP 578 4.889 3.074 4.688 316 HD2 ASP 578 HD ASP 578 5.596 6.963 4.249 317 HA PRO 579 HA PRO 579 5.923 -0.121 1.321 318 HB2 PRO 579 3HB PRO 579 8.355 -0.570 2.497 319 HB3 PRO 579 2HB PRO 579 8.148 0.363 1.017 320 HG2 PRO 579 3HG PRO 579 8.420 1.319 3.847 321 HG3 PRO 579 2HG PRO 579 9.229 1.929 2.355 322 HD2 PRO 579 3HD PRO 579 7.099 3.179 3.482 323 HD3 PRO 579 2HD PRO 579 7.374 3.149 1.733 324 H GLN 580 HN GLN 580 6.824 0.699 4.677 325 HA GLN 580 HA GLN 580 6.142 -1.938 5.614 326 HB2 GLN 580 3HB GLN 580 7.155 0.584 6.887 327 HB3 GLN 580 2HB GLN 580 6.514 -0.722 7.898 328 HG2 GLN 580 3HG GLN 580 8.515 -1.663 7.857 329 HG3 GLN 580 2HG GLN 580 8.265 -1.974 6.133 330 HE21 GLN 580 1HE2 GLN 580 9.327 -0.760 4.628 331 HE22 GLN 580 2HE2 GLN 580 10.553 0.390 5.024 332 H GLN 581 HN GLN 581 4.858 1.341 6.156 333 HA GLN 581 HA GLN 581 2.755 0.792 7.812 334 HB2 GLN 581 3HB GLN 581 3.591 2.970 6.321 335 HB3 GLN 581 2HB GLN 581 1.973 2.633 5.687 336 HG2 GLN 581 3HG GLN 581 0.978 2.875 7.839 337 HG3 GLN 581 2HG GLN 581 2.565 2.947 8.617 338 HE21 GLN 581 1HE2 GLN 581 3.951 4.691 7.125 339 HE22 GLN 581 2HE2 GLN 581 3.210 6.251 7.152 340 H LEU 582 HN LEU 582 2.584 0.818 4.249 341 HA LEU 582 HA LEU 582 -0.029 -0.023 3.954 342 HB2 LEU 582 3HB LEU 582 2.431 -0.439 2.277 343 HB3 LEU 582 2HB LEU 582 0.861 -1.097 1.787 344 HG LEU 582 HG LEU 582 1.464 1.827 2.233 345 HD11 LEU 582 1HD1 LEU 582 1.630 0.060 -0.123 346 HD12 LEU 582 2HD1 LEU 582 2.493 1.553 0.245 347 HD13 LEU 582 3HD1 LEU 582 0.840 1.618 -0.368 348 HD21 LEU 582 3HD2 LEU 582 -0.884 1.233 0.686 349 HD22 LEU 582 1HD2 LEU 582 -0.722 2.200 2.152 350 HD23 LEU 582 2HD2 LEU 582 -0.979 0.459 2.269 351 H ALA 583 HN ALA 583 2.870 -1.953 4.508 352 HA ALA 583 HA ALA 583 1.913 -4.498 4.041 353 HB1 ALA 583 1HB ALA 583 3.703 -3.865 6.369 354 HB2 ALA 583 2HB ALA 583 3.686 -5.306 5.352 355 HB3 ALA 583 3HB ALA 583 4.263 -3.773 4.699 356 H ALA 584 HN ALA 584 1.748 -2.652 7.082 357 HA ALA 584 HA ALA 584 0.502 -4.519 8.686 358 HB1 ALA 584 1HB ALA 584 1.368 -2.221 9.320 359 HB2 ALA 584 2HB ALA 584 -0.188 -1.597 8.775 360 HB3 ALA 584 3HB ALA 584 -0.120 -2.749 10.108 361 H GLU 585 HN GLU 585 -0.875 -2.490 6.182 362 HA GLU 585 HA GLU 585 -3.601 -3.055 6.865 363 HB2 GLU 585 3HB GLU 585 -2.592 -2.078 4.194 364 HB3 GLU 585 2HB GLU 585 -4.188 -1.824 4.918 365 HG2 GLU 585 3HG GLU 585 -1.613 -0.680 6.000 366 HG3 GLU 585 2HG GLU 585 -2.748 0.184 4.953 367 HE2 GLU 585 HE GLU 585 -3.424 0.572 8.631 368 H ILE 586 HN ILE 586 -1.195 -4.441 4.735 369 HA ILE 586 HA ILE 586 -2.962 -6.060 3.215 370 HB ILE 586 HB ILE 586 -0.018 -6.453 3.769 371 HG12 ILE 586 1HG1 ILE 586 -1.258 -5.338 1.261 372 HG13 ILE 586 2HG1 ILE 586 -0.850 -4.289 2.628 373 HG21 ILE 586 1HG2 ILE 586 -0.206 -8.384 2.695 374 HG22 ILE 586 2HG2 ILE 586 -1.929 -8.112 2.443 375 HG23 ILE 586 3HG2 ILE 586 -0.761 -7.510 1.268 376 HD11 ILE 586 3HD1 ILE 586 0.829 -4.966 0.567 377 HD12 ILE 586 1HD1 ILE 586 1.312 -4.284 2.121 378 HD13 ILE 586 2HD1 ILE 586 1.346 -6.031 1.874 379 H LEU 587 HN LEU 587 -0.934 -6.716 6.058 380 HA LEU 587 HA LEU 587 -1.415 -9.419 6.357 381 HB2 LEU 587 3HB LEU 587 -0.962 -7.233 8.379 382 HB3 LEU 587 2HB LEU 587 -1.136 -8.934 8.849 383 HG LEU 587 HG LEU 587 0.928 -8.184 6.824 384 HD11 LEU 587 1HD1 LEU 587 2.115 -6.953 8.230 385 HD12 LEU 587 2HD1 LEU 587 2.114 -8.271 9.401 386 HD13 LEU 587 3HD1 LEU 587 0.826 -7.067 9.428 387 HD21 LEU 587 3HD2 LEU 587 0.153 -10.558 7.815 388 HD22 LEU 587 1HD2 LEU 587 1.397 -10.132 8.990 389 HD23 LEU 587 2HD2 LEU 587 1.797 -10.219 7.275 390 H SER 588 HN SER 588 -3.451 -6.693 7.217 391 HA SER 588 HA SER 588 -5.362 -8.281 8.659 392 HB2 SER 588 1HB SER 588 -5.338 -6.070 9.397 393 HB3 SER 588 2HB SER 588 -5.231 -5.424 7.750 394 HG SER 588 HG SER 588 -7.424 -5.917 9.226 395 H TYR 589 HN TYR 589 -4.931 -7.202 5.373 396 HA TYR 589 HA TYR 589 -7.593 -7.758 4.505 397 HB2 TYR 589 3HB TYR 589 -6.278 -6.181 3.256 398 HB3 TYR 589 2HB TYR 589 -5.005 -7.375 2.993 399 HD1 TYR 589 1HD TYR 589 -8.715 -7.479 2.525 400 HD2 TYR 589 2HD TYR 589 -4.871 -7.951 0.765 401 HE1 TYR 589 1HE TYR 589 -9.773 -8.170 0.415 402 HE2 TYR 589 2HE TYR 589 -5.917 -8.644 -1.349 403 HH TYR 589 HH TYR 589 -8.984 -8.099 -2.149 404 H LYS 590 HN LYS 590 -4.545 -9.539 4.486 405 HA LYS 590 HA LYS 590 -5.540 -11.763 3.009 406 HB2 LYS 590 3HB LYS 590 -3.073 -10.948 3.536 407 HB3 LYS 590 2HB LYS 590 -3.253 -12.059 4.905 408 HG2 LYS 590 3HG LYS 590 -2.326 -13.458 3.351 409 HG3 LYS 590 2HG LYS 590 -4.053 -13.733 3.059 410 HD2 LYS 590 3HD LYS 590 -3.362 -13.393 0.906 411 HD3 LYS 590 2HD LYS 590 -3.728 -11.722 1.370 412 HE2 LYS 590 3HE LYS 590 -1.508 -11.118 1.526 413 HE3 LYS 590 2HE LYS 590 -0.986 -12.773 1.875 414 HZ1 LYS 590 3HZ LYS 590 -2.015 -11.921 -0.773 415 HZ2 LYS 590 1HZ LYS 590 -1.249 -13.380 -0.388 416 HZ3 LYS 590 2HZ LYS 590 -0.371 -11.935 -0.372 417 H SER 591 HN SER 591 -4.948 -11.200 6.469 418 HA SER 591 HA SER 591 -5.681 -13.684 7.449 419 HB2 SER 591 1HB SER 591 -4.674 -11.817 8.783 420 HB3 SER 591 2HB SER 591 -6.263 -11.033 8.786 421 HG SER 591 HG SER 591 -5.914 -13.680 9.708 422 H GLN 592 HN GLN 592 -7.684 -11.045 6.337 423 HA GLN 592 HA GLN 592 -10.135 -11.800 7.442 424 HB2 GLN 592 3HB GLN 592 -9.268 -10.181 5.100 425 HB3 GLN 592 2HB GLN 592 -10.958 -10.706 5.146 426 HG2 GLN 592 3HG GLN 592 -11.074 -9.722 7.478 427 HG3 GLN 592 2HG GLN 592 -9.507 -8.979 7.124 428 HE21 GLN 592 1HE2 GLN 592 -12.623 -9.399 5.471 429 HE22 GLN 592 2HE2 GLN 592 -12.758 -7.759 4.946 430 H HIS 593 HN HIS 593 -8.340 -13.108 4.772 431 HA HIS 593 HA HIS 593 -10.611 -14.777 3.969 432 HB2 HIS 593 3HB HIS 593 -7.934 -14.220 2.680 433 HB3 HIS 593 2HB HIS 593 -9.058 -15.442 2.077 434 HD1 HIS 593 1HD HIS 593 -9.424 -14.195 -0.146 435 HD2 HIS 593 2HD HIS 593 -10.498 -12.003 3.217 436 HE1 HIS 593 1HE HIS 593 -10.733 -12.231 -1.013 437 HE2 HIS 593 2HE HIS 593 -11.392 -10.891 1.042 438 H LEU 594 HN LEU 594 -9.214 -15.199 6.482 439 HA LEU 594 HA LEU 594 -8.201 -17.918 5.978 440 HB2 LEU 594 3HB LEU 594 -7.245 -15.984 8.097 441 HB3 LEU 594 2HB LEU 594 -6.689 -17.653 7.882 442 HG LEU 594 HG LEU 594 -6.222 -15.335 6.010 443 HD11 LEU 594 1HD1 LEU 594 -4.052 -16.971 7.192 444 HD12 LEU 594 2HD1 LEU 594 -4.882 -15.828 8.247 445 HD13 LEU 594 3HD1 LEU 594 -4.088 -15.255 6.780 446 HD21 LEU 594 3HD2 LEU 594 -6.344 -17.007 4.471 447 HD22 LEU 594 1HD2 LEU 594 -5.960 -18.267 5.644 448 HD23 LEU 594 2HD2 LEU 594 -4.677 -17.243 5.000 449 H SER 595 HN SER 595 -9.831 -15.739 8.229 450 HA SER 595 HA SER 595 -11.557 -17.878 9.102 451 HB2 SER 595 1HB SER 595 -11.035 -17.474 11.546 452 HB3 SER 595 2HB SER 595 -9.773 -18.320 10.635 453 HG SER 595 HG SER 595 -8.710 -16.755 11.729 454 H GLU 596 HN GLU 596 -13.472 -17.143 9.969 455 HA GLU 596 HA GLU 596 -14.226 -14.490 9.350 456 HB2 GLU 596 3HB GLU 596 -15.847 -16.285 9.280 457 HB3 GLU 596 2HB GLU 596 -15.616 -16.599 11.008 458 HG2 GLU 596 3HG GLU 596 -17.693 -15.391 10.585 459 HG3 GLU 596 2HG GLU 596 -16.565 -14.441 11.559 460 HE2 GLU 596 HE GLU 596 -16.466 -11.929 9.229 Start of MODEL 7 1 H1 GLY 540 HN GLY 540 -4.726 21.210 -4.420 2 HA2 GLY 540 2HA GLY 540 -4.053 22.959 -2.962 3 HA3 GLY 540 3HA GLY 540 -2.552 22.096 -2.664 4 HA PRO 541 HA PRO 541 -1.767 25.590 -5.649 5 HB2 PRO 541 3HB PRO 541 0.308 26.684 -4.236 6 HB3 PRO 541 2HB PRO 541 -1.382 27.102 -3.963 7 HG2 PRO 541 3HG PRO 541 0.359 25.155 -2.489 8 HG3 PRO 541 2HG PRO 541 -0.775 26.394 -1.832 9 HD2 PRO 541 3HD PRO 541 -1.413 23.758 -1.980 10 HD3 PRO 541 2HD PRO 541 -2.611 25.046 -2.190 11 H HIS 542 HN HIS 542 0.252 23.238 -4.011 12 HA HIS 542 HA HIS 542 2.489 23.507 -5.772 13 HB2 HIS 542 3HB HIS 542 3.318 21.455 -4.701 14 HB3 HIS 542 2HB HIS 542 2.787 22.645 -3.508 15 HD1 HIS 542 1HD HIS 542 1.858 19.304 -4.923 16 HD2 HIS 542 2HD HIS 542 0.602 21.911 -1.941 17 HE1 HIS 542 1HE HIS 542 0.230 17.992 -3.524 18 HE2 HIS 542 2HE HIS 542 -0.537 19.584 -1.701 19 H MET 543 HN MET 543 3.229 21.921 -7.294 20 HA MET 543 HA MET 543 1.246 21.097 -9.112 21 HB2 MET 543 3HB MET 543 4.190 20.700 -8.839 22 HB3 MET 543 2HB MET 543 3.311 19.641 -9.952 23 HG2 MET 543 3HG MET 543 2.566 21.472 -11.271 24 HG3 MET 543 2HG MET 543 3.120 22.634 -10.062 25 HE1 MET 543 3HE MET 543 4.137 21.895 -13.594 26 HE2 MET 543 1HE MET 543 3.678 23.325 -12.670 27 HE3 MET 543 2HE MET 543 5.329 23.152 -13.264 28 H GLY 544 HN GLY 544 3.267 19.209 -6.865 29 HA2 GLY 544 2HA GLY 544 1.478 17.462 -5.878 30 HA3 GLY 544 3HA GLY 544 1.792 16.785 -7.469 31 H ASP 545 HN ASP 545 3.150 17.500 -4.328 32 HA ASP 545 HA ASP 545 5.722 16.361 -4.931 33 HB2 ASP 545 3HB ASP 545 4.430 17.152 -2.306 34 HB3 ASP 545 2HB ASP 545 6.100 16.592 -2.470 35 HD2 ASP 545 HD ASP 545 6.571 20.058 -2.659 36 H LEU 546 HN LEU 546 2.753 15.297 -3.366 37 HA LEU 546 HA LEU 546 3.593 12.953 -2.174 38 HB2 LEU 546 3HB LEU 546 1.039 13.932 -3.328 39 HB3 LEU 546 2HB LEU 546 1.174 12.191 -3.031 40 HG LEU 546 HG LEU 546 1.512 14.354 -0.954 41 HD11 LEU 546 1HD1 LEU 546 -0.601 13.040 -0.102 42 HD12 LEU 546 2HD1 LEU 546 -0.785 12.671 -1.816 43 HD13 LEU 546 3HD1 LEU 546 -0.752 14.349 -1.274 44 HD21 LEU 546 3HD2 LEU 546 2.653 12.767 0.126 45 HD22 LEU 546 1HD2 LEU 546 2.147 11.506 -0.999 46 HD23 LEU 546 2HD2 LEU 546 1.093 11.972 0.336 47 H ALA 547 HN ALA 547 3.029 13.634 -5.556 48 HA ALA 547 HA ALA 547 2.839 11.079 -6.608 49 HB1 ALA 547 1HB ALA 547 2.505 12.569 -8.268 50 HB2 ALA 547 2HB ALA 547 3.689 13.710 -7.631 51 HB3 ALA 547 3HB ALA 547 4.225 12.308 -8.555 52 H LYS 548 HN LYS 548 5.658 12.834 -5.485 53 HA LYS 548 HA LYS 548 7.602 11.076 -6.585 54 HB2 LYS 548 3HB LYS 548 7.808 13.512 -5.597 55 HB3 LYS 548 2HB LYS 548 8.127 12.639 -4.090 56 HG2 LYS 548 3HG LYS 548 10.261 12.896 -4.855 57 HG3 LYS 548 2HG LYS 548 9.849 11.335 -5.587 58 HD2 LYS 548 3HD LYS 548 9.216 13.808 -7.130 59 HD3 LYS 548 2HD LYS 548 10.911 13.305 -7.008 60 HE2 LYS 548 3HE LYS 548 10.007 10.958 -7.692 61 HE3 LYS 548 2HE LYS 548 8.599 11.869 -8.256 62 HZ1 LYS 548 3HZ LYS 548 10.608 13.286 -9.319 63 HZ2 LYS 548 1HZ LYS 548 9.787 12.048 -10.130 64 HZ3 LYS 548 2HZ LYS 548 11.264 11.727 -9.369 65 H GLU 549 HN GLU 549 5.835 11.183 -3.548 66 HA GLU 549 HA GLU 549 7.328 9.302 -2.109 67 HB2 GLU 549 3HB GLU 549 4.708 10.573 -1.901 68 HB3 GLU 549 2HB GLU 549 4.714 8.915 -1.279 69 HG2 GLU 549 3HG GLU 549 6.198 9.392 0.414 70 HG3 GLU 549 2HG GLU 549 6.869 10.790 -0.437 71 HE2 GLU 549 HE GLU 549 3.676 11.307 1.831 72 H ARG 550 HN ARG 550 4.251 8.761 -3.837 73 HA ARG 550 HA ARG 550 4.152 6.013 -3.615 74 HB2 ARG 550 3HB ARG 550 2.293 7.337 -4.467 75 HB3 ARG 550 2HB ARG 550 3.221 7.729 -5.922 76 HG2 ARG 550 3HG ARG 550 2.926 5.666 -6.859 77 HG3 ARG 550 2HG ARG 550 2.770 4.864 -5.288 78 HD2 ARG 550 3HD ARG 550 0.537 5.415 -5.058 79 HD3 ARG 550 2HD ARG 550 0.679 6.817 -6.127 80 HE ARG 550 HE ARG 550 1.154 4.614 -7.715 81 HH11 ARG 550 1HH1 ARG 550 -1.446 5.796 -5.724 82 HH12 ARG 550 2HH1 ARG 550 -2.687 5.054 -6.678 83 HH21 ARG 550 1HH2 ARG 550 -0.472 3.634 -8.979 84 HH22 ARG 550 2HH2 ARG 550 -2.132 3.823 -8.529 85 H ALA 551 HN ALA 551 5.904 7.985 -5.950 86 HA ALA 551 HA ALA 551 6.655 6.063 -7.794 87 HB1 ALA 551 1HB ALA 551 8.092 7.613 -8.614 88 HB2 ALA 551 2HB ALA 551 7.161 8.671 -7.552 89 HB3 ALA 551 3HB ALA 551 8.719 8.039 -7.021 90 H GLY 552 HN GLY 552 8.625 7.143 -5.011 91 HA2 GLY 552 2HA GLY 552 10.473 4.990 -5.274 92 HA3 GLY 552 3HA GLY 552 10.358 6.098 -3.915 93 H VAL 553 HN VAL 553 7.823 5.626 -2.990 94 HA VAL 553 HA VAL 553 8.122 3.449 -1.323 95 HB VAL 553 HB VAL 553 5.541 4.702 -2.271 96 HG11 VAL 553 1HG1 VAL 553 4.733 2.791 -1.323 97 HG12 VAL 553 2HG1 VAL 553 6.127 2.594 -0.259 98 HG13 VAL 553 3HG1 VAL 553 4.886 3.788 0.123 99 HG21 VAL 553 3HG2 VAL 553 5.875 6.352 -0.791 100 HG22 VAL 553 1HG2 VAL 553 6.503 5.251 0.435 101 HG23 VAL 553 2HG2 VAL 553 7.566 5.855 -0.836 102 H TYR 554 HN TYR 554 6.015 3.602 -4.200 103 HA TYR 554 HA TYR 554 5.151 0.982 -4.217 104 HB2 TYR 554 3HB TYR 554 4.211 2.657 -5.700 105 HB3 TYR 554 2HB TYR 554 5.741 2.790 -6.569 106 HD1 TYR 554 1HD TYR 554 2.893 0.527 -5.907 107 HD2 TYR 554 2HD TYR 554 6.331 1.276 -8.300 108 HE1 TYR 554 1HE TYR 554 2.186 -1.239 -7.465 109 HE2 TYR 554 2HE TYR 554 5.632 -0.487 -9.866 110 HH TYR 554 HH TYR 554 3.945 -1.856 -10.464 111 H THR 555 HN THR 555 8.123 2.338 -5.567 112 HA THR 555 HA THR 555 9.071 0.130 -6.951 113 HB THR 555 HB THR 555 10.783 2.056 -5.369 114 HG1 THR 555 1HG THR 555 9.840 2.284 -8.051 115 HG21 THR 555 3HG2 THR 555 11.389 0.525 -7.899 116 HG22 THR 555 1HG2 THR 555 11.922 0.045 -6.289 117 HG23 THR 555 2HG2 THR 555 12.496 1.557 -6.994 118 H LYS 556 HN LYS 556 9.378 0.922 -3.516 119 HA LYS 556 HA LYS 556 10.980 -1.388 -2.928 120 HB2 LYS 556 3HB LYS 556 9.811 0.879 -1.421 121 HB3 LYS 556 2HB LYS 556 10.057 -0.617 -0.505 122 HG2 LYS 556 3HG LYS 556 12.059 0.414 -0.133 123 HG3 LYS 556 2HG LYS 556 12.445 -0.517 -1.589 124 HD2 LYS 556 3HD LYS 556 12.087 1.422 -2.994 125 HD3 LYS 556 2HD LYS 556 11.548 2.364 -1.593 126 HE2 LYS 556 3HE LYS 556 14.288 1.106 -1.708 127 HE3 LYS 556 2HE LYS 556 13.953 2.705 -2.389 128 HZ1 LYS 556 3HZ LYS 556 14.646 2.217 0.177 129 HZ2 LYS 556 1HZ LYS 556 12.965 2.379 0.292 130 HZ3 LYS 556 2HZ LYS 556 13.892 3.627 -0.374 131 H LEU 557 HN LEU 557 7.579 -0.599 -2.916 132 HA LEU 557 HA LEU 557 6.580 -2.622 -1.289 133 HB2 LEU 557 3HB LEU 557 5.546 -0.922 -3.465 134 HB3 LEU 557 2HB LEU 557 4.664 -2.435 -3.199 135 HG LEU 557 HG LEU 557 3.589 -0.654 -1.988 136 HD11 LEU 557 1HD1 LEU 557 3.123 -2.100 -0.376 137 HD12 LEU 557 2HD1 LEU 557 4.672 -1.778 0.403 138 HD13 LEU 557 3HD1 LEU 557 4.548 -3.036 -0.827 139 HD21 LEU 557 3HD2 LEU 557 4.831 0.456 -0.103 140 HD22 LEU 557 1HD2 LEU 557 5.336 0.933 -1.724 141 HD23 LEU 557 2HD2 LEU 557 6.316 -0.200 -0.794 142 H CYS 558 HN CYS 558 7.771 -2.737 -4.567 143 HA CYS 558 HA CYS 558 6.682 -5.235 -5.305 144 HB2 CYS 558 3HB CYS 558 9.214 -3.880 -6.250 145 HB3 CYS 558 2HB CYS 558 8.421 -5.241 -7.060 146 HG CYS 558 HG CYS 558 7.171 -2.072 -6.753 147 H GLY 559 HN GLY 559 9.107 -4.412 -3.084 148 HA2 GLY 559 2HA GLY 559 10.267 -7.120 -3.208 149 HA3 GLY 559 3HA GLY 559 11.053 -5.722 -2.490 150 H VAL 560 HN VAL 560 7.928 -5.478 -1.578 151 HA VAL 560 HA VAL 560 8.394 -7.012 0.897 152 HB VAL 560 HB VAL 560 6.712 -4.519 0.674 153 HG11 VAL 560 1HG1 VAL 560 6.137 -5.975 2.530 154 HG12 VAL 560 2HG1 VAL 560 7.825 -6.017 3.045 155 HG13 VAL 560 3HG1 VAL 560 6.915 -4.507 3.123 156 HG21 VAL 560 3HG2 VAL 560 8.618 -3.369 0.517 157 HG22 VAL 560 1HG2 VAL 560 8.954 -3.888 2.168 158 HG23 VAL 560 2HG2 VAL 560 9.597 -4.807 0.808 159 H PHE 561 HN PHE 561 6.185 -6.220 -1.662 160 HA PHE 561 HA PHE 561 4.515 -8.464 -0.971 161 HB2 PHE 561 3HB PHE 561 3.562 -5.628 -0.680 162 HB3 PHE 561 2HB PHE 561 2.430 -6.899 -1.145 163 HD1 PHE 561 1HD PHE 561 2.161 -8.910 0.363 164 HD2 PHE 561 2HD PHE 561 4.157 -5.351 1.574 165 HE1 PHE 561 1HE PHE 561 1.868 -9.552 2.720 166 HE2 PHE 561 2HE PHE 561 3.869 -5.987 3.933 167 HZ PHE 561 HZ PHE 561 2.724 -8.090 4.509 168 HA PRO 562 HA PRO 562 3.883 -8.640 -5.307 169 HB2 PRO 562 3HB PRO 562 1.342 -9.647 -5.491 170 HB3 PRO 562 2HB PRO 562 2.729 -10.597 -4.962 171 HG2 PRO 562 3HG PRO 562 0.652 -9.191 -3.320 172 HG3 PRO 562 2HG PRO 562 1.322 -10.853 -3.128 173 HD2 PRO 562 3HD PRO 562 2.122 -8.764 -1.589 174 HD3 PRO 562 2HD PRO 562 3.215 -10.072 -2.071 175 HA PRO 563 HA PRO 563 1.750 -5.158 -6.937 176 HB2 PRO 563 3HB PRO 563 0.760 -6.086 -9.316 177 HB3 PRO 563 2HB PRO 563 2.473 -5.788 -9.025 178 HG2 PRO 563 3HG PRO 563 0.938 -8.361 -8.881 179 HG3 PRO 563 2HG PRO 563 2.536 -8.027 -9.647 180 HD2 PRO 563 3HD PRO 563 2.294 -9.228 -7.224 181 HD3 PRO 563 2HD PRO 563 3.639 -8.146 -7.627 182 H HIS 564 HN HIS 564 -0.208 -8.114 -7.321 183 HA HIS 564 HA HIS 564 -2.703 -6.945 -7.570 184 HB2 HIS 564 3HB HIS 564 -3.587 -9.040 -7.273 185 HB3 HIS 564 2HB HIS 564 -1.909 -9.465 -7.628 186 HD1 HIS 564 1HD HIS 564 -0.437 -10.310 -5.653 187 HD2 HIS 564 2HD HIS 564 -4.416 -9.630 -4.670 188 HE1 HIS 564 1HE HIS 564 -0.777 -11.417 -3.421 189 HE2 HIS 564 2HE HIS 564 -3.208 -11.002 -2.818 190 H LEU 565 HN LEU 565 -0.707 -7.303 -4.755 191 HA LEU 565 HA LEU 565 -2.845 -6.718 -2.897 192 HB2 LEU 565 3HB LEU 565 -0.004 -7.482 -2.749 193 HB3 LEU 565 2HB LEU 565 -0.558 -6.390 -1.468 194 HG LEU 565 HG LEU 565 -1.730 -9.096 -2.106 195 HD11 LEU 565 1HD1 LEU 565 -0.834 -9.353 0.373 196 HD12 LEU 565 2HD1 LEU 565 0.314 -8.137 -0.184 197 HD13 LEU 565 3HD1 LEU 565 0.185 -9.679 -1.029 198 HD21 LEU 565 3HD2 LEU 565 -2.752 -8.558 0.258 199 HD22 LEU 565 1HD2 LEU 565 -3.535 -8.000 -1.221 200 HD23 LEU 565 2HD2 LEU 565 -2.540 -6.891 -0.278 201 H VAL 566 HN VAL 566 0.241 -5.104 -3.684 202 HA VAL 566 HA VAL 566 -0.194 -2.716 -2.383 203 HB VAL 566 HB VAL 566 1.233 -3.097 -5.020 204 HG11 VAL 566 1HG1 VAL 566 1.245 -0.841 -3.029 205 HG12 VAL 566 2HG1 VAL 566 2.520 -1.070 -4.228 206 HG13 VAL 566 3HG1 VAL 566 0.860 -0.776 -4.749 207 HG21 VAL 566 3HG2 VAL 566 1.923 -4.464 -2.936 208 HG22 VAL 566 1HG2 VAL 566 3.167 -3.597 -3.837 209 HG23 VAL 566 2HG2 VAL 566 2.540 -2.927 -2.330 210 H GLU 567 HN GLU 567 -0.982 -3.467 -5.778 211 HA GLU 567 HA GLU 567 -2.087 -1.041 -6.505 212 HB2 GLU 567 3HB GLU 567 -2.695 -3.863 -7.366 213 HB3 GLU 567 2HB GLU 567 -3.528 -2.474 -8.082 214 HG2 GLU 567 3HG GLU 567 -1.165 -1.557 -8.550 215 HG3 GLU 567 2HG GLU 567 -0.635 -3.219 -8.251 216 HE2 GLU 567 HE GLU 567 -1.453 -4.063 -11.455 217 H ALA 568 HN ALA 568 -3.438 -3.591 -4.550 218 HA ALA 568 HA ALA 568 -6.115 -2.503 -4.610 219 HB1 ALA 568 1HB ALA 568 -5.735 -4.925 -4.431 220 HB2 ALA 568 2HB ALA 568 -4.969 -4.675 -2.861 221 HB3 ALA 568 3HB ALA 568 -6.678 -4.295 -3.079 222 H VAL 569 HN VAL 569 -3.713 -3.043 -2.022 223 HA VAL 569 HA VAL 569 -4.981 -1.641 -0.005 224 HB VAL 569 HB VAL 569 -1.992 -1.721 -0.431 225 HG11 VAL 569 1HG1 VAL 569 -1.862 -1.536 1.984 226 HG12 VAL 569 2HG1 VAL 569 -2.776 -0.181 1.321 227 HG13 VAL 569 3HG1 VAL 569 -3.622 -1.519 2.100 228 HG21 VAL 569 3HG2 VAL 569 -2.831 -3.703 1.398 229 HG22 VAL 569 1HG2 VAL 569 -3.830 -3.868 -0.045 230 HG23 VAL 569 2HG2 VAL 569 -2.072 -3.926 -0.178 231 H MET 570 HN MET 570 -2.948 -0.436 -2.614 232 HA MET 570 HA MET 570 -2.532 2.167 -1.706 233 HB2 MET 570 3HB MET 570 -2.632 0.883 -4.409 234 HB3 MET 570 2HB MET 570 -2.545 2.646 -4.296 235 HG2 MET 570 3HG MET 570 -0.554 2.045 -2.620 236 HG3 MET 570 2HG MET 570 -0.514 0.601 -3.633 237 HE1 MET 570 3HE MET 570 2.456 2.602 -4.545 238 HE2 MET 570 1HE MET 570 1.667 4.015 -3.843 239 HE3 MET 570 2HE MET 570 1.593 2.459 -3.014 240 H ARG 571 HN ARG 571 -5.358 0.662 -3.040 241 HA ARG 571 HA ARG 571 -6.711 3.101 -3.706 242 HB2 ARG 571 3HB ARG 571 -7.090 0.680 -4.611 243 HB3 ARG 571 2HB ARG 571 -8.130 0.512 -3.189 244 HG2 ARG 571 3HG ARG 571 -8.541 2.893 -4.921 245 HG3 ARG 571 2HG ARG 571 -9.070 1.314 -5.524 246 HD2 ARG 571 3HD ARG 571 -10.084 1.169 -3.045 247 HD3 ARG 571 2HD ARG 571 -10.101 2.924 -3.265 248 HE ARG 571 HE ARG 571 -11.221 1.808 -5.548 249 HH11 ARG 571 1HH1 ARG 571 -11.906 1.993 -2.140 250 HH12 ARG 571 2HH1 ARG 571 -13.623 1.897 -2.346 251 HH21 ARG 571 1HH2 ARG 571 -13.481 1.680 -5.833 252 HH22 ARG 571 2HH2 ARG 571 -14.518 1.719 -4.448 253 H ARG 572 HN ARG 572 -6.100 1.421 -0.822 254 HA ARG 572 HA ARG 572 -8.464 2.390 0.559 255 HB2 ARG 572 3HB ARG 572 -7.482 0.154 1.049 256 HB3 ARG 572 2HB ARG 572 -6.044 0.969 1.682 257 HG2 ARG 572 3HG ARG 572 -7.321 1.990 3.453 258 HG3 ARG 572 2HG ARG 572 -8.823 1.335 2.778 259 HD2 ARG 572 3HD ARG 572 -7.838 -0.973 3.096 260 HD3 ARG 572 2HD ARG 572 -6.535 -0.193 4.002 261 HE ARG 572 HE ARG 572 -7.958 0.046 5.776 262 HH11 ARG 572 1HH1 ARG 572 -9.819 -0.620 2.911 263 HH12 ARG 572 2HH1 ARG 572 -11.316 -0.797 3.766 264 HH21 ARG 572 1HH2 ARG 572 -9.922 -0.183 6.914 265 HH22 ARG 572 2HH2 ARG 572 -11.373 -0.548 6.042 266 H PHE 573 HN PHE 573 -4.966 2.966 0.570 267 HA PHE 573 HA PHE 573 -5.451 5.413 2.138 268 HB2 PHE 573 3HB PHE 573 -3.117 3.512 2.060 269 HB3 PHE 573 2HB PHE 573 -2.908 5.174 2.611 270 HD1 PHE 573 1HD PHE 573 -5.335 2.395 3.193 271 HD2 PHE 573 2HD PHE 573 -2.951 5.495 4.874 272 HE1 PHE 573 1HE PHE 573 -6.110 1.767 5.442 273 HE2 PHE 573 2HE PHE 573 -3.721 4.870 7.125 274 HZ PHE 573 HZ PHE 573 -5.302 3.005 7.412 275 HA PRO 574 HA PRO 574 -4.089 6.676 -2.127 276 HB2 PRO 574 3HB PRO 574 -6.000 8.615 -2.433 277 HB3 PRO 574 2HB PRO 574 -6.259 6.919 -2.840 278 HG2 PRO 574 3HG PRO 574 -7.009 8.410 -0.349 279 HG3 PRO 574 2HG PRO 574 -7.990 7.254 -1.324 280 HD2 PRO 574 3HD PRO 574 -6.768 6.547 0.995 281 HD3 PRO 574 2HD PRO 574 -6.969 5.425 -0.363 282 H GLN 575 HN GLN 575 -4.332 8.042 0.963 283 HA GLN 575 HA GLN 575 -2.916 10.475 0.104 284 HB2 GLN 575 3HB GLN 575 -3.695 11.579 2.052 285 HB3 GLN 575 2HB GLN 575 -5.090 10.725 1.373 286 HG2 GLN 575 3HG GLN 575 -4.705 8.889 3.002 287 HG3 GLN 575 2HG GLN 575 -3.428 9.872 3.732 288 HE21 GLN 575 1HE2 GLN 575 -6.752 9.235 3.602 289 HE22 GLN 575 2HE2 GLN 575 -7.281 10.498 4.655 290 H LEU 576 HN LEU 576 -2.548 7.499 1.664 291 HA LEU 576 HA LEU 576 0.065 8.348 2.714 292 HB2 LEU 576 3HB LEU 576 -2.165 7.245 4.158 293 HB3 LEU 576 2HB LEU 576 -0.786 6.133 4.221 294 HG LEU 576 HG LEU 576 -0.837 9.001 5.153 295 HD11 LEU 576 1HD1 LEU 576 -1.368 8.181 7.140 296 HD12 LEU 576 2HD1 LEU 576 0.015 7.089 7.092 297 HD13 LEU 576 3HD1 LEU 576 -1.533 6.580 6.418 298 HD21 LEU 576 3HD2 LEU 576 1.339 8.934 4.562 299 HD22 LEU 576 1HD2 LEU 576 1.386 7.171 4.517 300 HD23 LEU 576 2HD2 LEU 576 1.498 8.017 6.060 301 H LEU 577 HN LEU 577 1.507 7.447 1.392 302 HA LEU 577 HA LEU 577 1.146 4.612 0.673 303 HB2 LEU 577 3HB LEU 577 2.233 6.916 -0.929 304 HB3 LEU 577 2HB LEU 577 2.626 5.234 -1.325 305 HG LEU 577 HG LEU 577 0.856 5.943 -2.761 306 HD11 LEU 577 1HD1 LEU 577 0.777 3.674 -1.407 307 HD12 LEU 577 2HD1 LEU 577 -0.516 4.144 -2.510 308 HD13 LEU 577 3HD1 LEU 577 -0.706 4.388 -0.773 309 HD21 LEU 577 3HD2 LEU 577 -0.928 6.516 -0.427 310 HD22 LEU 577 1HD2 LEU 577 -1.087 7.026 -2.108 311 HD23 LEU 577 2HD2 LEU 577 0.136 7.766 -1.075 312 H ASP 578 HN ASP 578 2.388 3.692 2.244 313 HA ASP 578 HA ASP 578 5.252 4.368 2.182 314 HB2 ASP 578 3HB ASP 578 3.451 4.566 4.407 315 HB3 ASP 578 2HB ASP 578 4.637 3.296 4.735 316 HD2 ASP 578 HD ASP 578 6.257 6.855 4.046 317 HA PRO 579 HA PRO 579 6.001 0.101 1.476 318 HB2 PRO 579 3HB PRO 579 8.436 -0.211 2.689 319 HB3 PRO 579 2HB PRO 579 8.208 0.664 1.176 320 HG2 PRO 579 3HG PRO 579 8.415 1.724 3.974 321 HG3 PRO 579 2HG PRO 579 9.211 2.317 2.468 322 HD2 PRO 579 3HD PRO 579 7.023 3.515 3.538 323 HD3 PRO 579 2HD PRO 579 7.316 3.440 1.791 324 H GLN 580 HN GLN 580 6.652 1.154 4.815 325 HA GLN 580 HA GLN 580 6.224 -1.492 5.871 326 HB2 GLN 580 3HB GLN 580 6.762 1.206 7.097 327 HB3 GLN 580 2HB GLN 580 6.337 -0.193 8.096 328 HG2 GLN 580 3HG GLN 580 8.360 -1.128 7.893 329 HG3 GLN 580 2HG GLN 580 8.479 -0.712 6.177 330 HE21 GLN 580 1HE2 GLN 580 8.416 1.922 6.056 331 HE22 GLN 580 2HE2 GLN 580 9.704 2.637 6.958 332 H GLN 581 HN GLN 581 4.485 1.604 5.953 333 HA GLN 581 HA GLN 581 2.358 0.910 7.564 334 HB2 GLN 581 3HB GLN 581 2.557 2.756 5.191 335 HB3 GLN 581 2HB GLN 581 1.048 2.570 6.096 336 HG2 GLN 581 3HG GLN 581 2.064 3.371 8.112 337 HG3 GLN 581 2HG GLN 581 3.657 3.388 7.345 338 HE21 GLN 581 1HE2 GLN 581 4.265 5.415 7.115 339 HE22 GLN 581 2HE2 GLN 581 3.295 6.703 6.494 340 H LEU 582 HN LEU 582 2.469 0.678 4.005 341 HA LEU 582 HA LEU 582 0.005 -0.498 3.589 342 HB2 LEU 582 3HB LEU 582 2.619 -0.839 2.120 343 HB3 LEU 582 2HB LEU 582 1.090 -1.533 1.552 344 HG LEU 582 HG LEU 582 1.542 1.419 1.975 345 HD11 LEU 582 1HD1 LEU 582 1.347 0.214 -0.731 346 HD12 LEU 582 2HD1 LEU 582 2.883 0.086 0.127 347 HD13 LEU 582 3HD1 LEU 582 2.184 1.672 -0.195 348 HD21 LEU 582 3HD2 LEU 582 -0.493 1.664 0.678 349 HD22 LEU 582 1HD2 LEU 582 -0.794 0.664 2.099 350 HD23 LEU 582 2HD2 LEU 582 -0.625 -0.087 0.512 351 H ALA 583 HN ALA 583 2.947 -1.917 4.796 352 HA ALA 583 HA ALA 583 2.313 -4.634 4.381 353 HB1 ALA 583 1HB ALA 583 3.959 -3.655 6.688 354 HB2 ALA 583 2HB ALA 583 4.136 -5.139 5.750 355 HB3 ALA 583 3HB ALA 583 4.559 -3.585 5.030 356 H ALA 584 HN ALA 584 1.654 -2.417 7.054 357 HA ALA 584 HA ALA 584 0.608 -4.298 8.860 358 HB1 ALA 584 1HB ALA 584 -0.759 -1.973 9.412 359 HB2 ALA 584 2HB ALA 584 0.817 -2.429 10.061 360 HB3 ALA 584 3HB ALA 584 0.715 -1.400 8.632 361 H GLU 585 HN GLU 585 -1.002 -2.258 6.435 362 HA GLU 585 HA GLU 585 -3.629 -3.092 7.002 363 HB2 GLU 585 3HB GLU 585 -2.534 -2.164 4.337 364 HB3 GLU 585 2HB GLU 585 -4.226 -2.132 4.858 365 HG2 GLU 585 3HG GLU 585 -3.787 -0.444 6.487 366 HG3 GLU 585 2HG GLU 585 -2.042 -0.587 6.229 367 HE2 GLU 585 HE GLU 585 -2.416 2.060 4.069 368 H ILE 586 HN ILE 586 -1.342 -4.190 4.504 369 HA ILE 586 HA ILE 586 -2.937 -6.123 3.311 370 HB ILE 586 HB ILE 586 0.055 -6.191 3.713 371 HG12 ILE 586 1HG1 ILE 586 -1.330 -5.442 1.164 372 HG13 ILE 586 2HG1 ILE 586 -1.185 -4.238 2.455 373 HG21 ILE 586 1HG2 ILE 586 -1.703 -7.731 1.809 374 HG22 ILE 586 2HG2 ILE 586 0.058 -7.690 1.752 375 HG23 ILE 586 3HG2 ILE 586 -0.763 -8.391 3.146 376 HD11 ILE 586 3HD1 ILE 586 1.345 -4.994 2.393 377 HD12 ILE 586 1HD1 ILE 586 0.916 -5.421 0.737 378 HD13 ILE 586 2HD1 ILE 586 0.708 -3.762 1.303 379 H LEU 587 HN LEU 587 -0.879 -6.356 6.174 380 HA LEU 587 HA LEU 587 -0.920 -9.080 6.615 381 HB2 LEU 587 3HB LEU 587 -0.689 -6.673 8.337 382 HB3 LEU 587 2HB LEU 587 -1.056 -8.209 9.141 383 HG LEU 587 HG LEU 587 1.289 -7.938 7.285 384 HD11 LEU 587 1HD1 LEU 587 0.934 -6.707 9.884 385 HD12 LEU 587 2HD1 LEU 587 2.232 -6.511 8.706 386 HD13 LEU 587 3HD1 LEU 587 2.285 -7.841 9.864 387 HD21 LEU 587 3HD2 LEU 587 1.917 -9.971 8.053 388 HD22 LEU 587 1HD2 LEU 587 0.187 -10.133 8.358 389 HD23 LEU 587 2HD2 LEU 587 1.275 -9.683 9.671 390 H SER 588 HN SER 588 -3.394 -6.682 7.349 391 HA SER 588 HA SER 588 -5.087 -8.574 8.709 392 HB2 SER 588 1HB SER 588 -5.462 -6.449 9.540 393 HB3 SER 588 2HB SER 588 -5.286 -5.688 7.948 394 HG SER 588 HG SER 588 -7.324 -6.288 7.417 395 H TYR 589 HN TYR 589 -5.076 -6.952 5.555 396 HA TYR 589 HA TYR 589 -7.488 -7.952 4.577 397 HB2 TYR 589 3HB TYR 589 -6.363 -6.166 3.426 398 HB3 TYR 589 2HB TYR 589 -4.949 -7.182 3.132 399 HD1 TYR 589 1HD TYR 589 -8.622 -7.207 2.427 400 HD2 TYR 589 2HD TYR 589 -4.707 -8.140 1.047 401 HE1 TYR 589 1HE TYR 589 -9.560 -7.921 0.268 402 HE2 TYR 589 2HE TYR 589 -5.633 -8.856 -1.116 403 HH TYR 589 HH TYR 589 -8.021 -8.148 -2.420 404 H LYS 590 HN LYS 590 -4.278 -9.379 4.665 405 HA LYS 590 HA LYS 590 -4.887 -11.602 2.993 406 HB2 LYS 590 3HB LYS 590 -2.706 -11.155 5.042 407 HB3 LYS 590 2HB LYS 590 -2.791 -12.569 3.979 408 HG2 LYS 590 3HG LYS 590 -2.840 -9.843 2.763 409 HG3 LYS 590 2HG LYS 590 -1.307 -10.512 3.350 410 HD2 LYS 590 3HD LYS 590 -1.282 -11.249 1.170 411 HD3 LYS 590 2HD LYS 590 -2.057 -12.622 1.981 412 HE2 LYS 590 3HE LYS 590 -4.152 -12.129 1.141 413 HE3 LYS 590 2HE LYS 590 -3.764 -10.415 0.928 414 HZ1 LYS 590 3HZ LYS 590 -3.767 -11.212 -1.220 415 HZ2 LYS 590 1HZ LYS 590 -3.063 -12.693 -0.802 416 HZ3 LYS 590 2HZ LYS 590 -2.122 -11.289 -0.834 417 H SER 591 HN SER 591 -4.650 -11.214 6.521 418 HA SER 591 HA SER 591 -5.298 -13.853 7.202 419 HB2 SER 591 1HB SER 591 -4.348 -12.431 8.880 420 HB3 SER 591 2HB SER 591 -5.663 -11.256 8.706 421 HG SER 591 HG SER 591 -5.727 -12.856 10.533 422 H GLN 592 HN GLN 592 -7.291 -11.149 6.279 423 HA GLN 592 HA GLN 592 -9.763 -12.106 7.245 424 HB2 GLN 592 3HB GLN 592 -8.919 -10.111 5.178 425 HB3 GLN 592 2HB GLN 592 -10.616 -10.610 5.252 426 HG2 GLN 592 3HG GLN 592 -10.498 -10.023 7.743 427 HG3 GLN 592 2HG GLN 592 -8.999 -9.180 7.327 428 HE21 GLN 592 1HE2 GLN 592 -12.226 -9.492 5.873 429 HE22 GLN 592 2HE2 GLN 592 -12.476 -7.798 5.652 430 H HIS 593 HN HIS 593 -7.946 -12.729 4.317 431 HA HIS 593 HA HIS 593 -9.883 -14.825 3.631 432 HB2 HIS 593 3HB HIS 593 -8.838 -12.635 1.861 433 HB3 HIS 593 2HB HIS 593 -9.285 -14.196 1.165 434 HD1 HIS 593 1HD HIS 593 -11.543 -14.079 0.192 435 HD2 HIS 593 2HD HIS 593 -11.260 -11.836 3.678 436 HE1 HIS 593 1HE HIS 593 -13.839 -13.123 0.563 437 HE2 HIS 593 2HE HIS 593 -13.668 -11.753 2.694 438 H LEU 594 HN LEU 594 -7.936 -15.763 4.947 439 HA LEU 594 HA LEU 594 -5.425 -16.108 3.783 440 HB2 LEU 594 3HB LEU 594 -6.888 -18.115 5.502 441 HB3 LEU 594 2HB LEU 594 -5.136 -17.971 5.277 442 HG LEU 594 HG LEU 594 -6.183 -15.498 6.287 443 HD11 LEU 594 1HD1 LEU 594 -7.951 -16.429 7.399 444 HD12 LEU 594 2HD1 LEU 594 -6.676 -16.643 8.598 445 HD13 LEU 594 3HD1 LEU 594 -7.161 -17.995 7.577 446 HD21 LEU 594 3HD2 LEU 594 -4.446 -17.496 7.709 447 HD22 LEU 594 1HD2 LEU 594 -4.456 -15.739 7.867 448 HD23 LEU 594 2HD2 LEU 594 -3.846 -16.489 6.391 449 H SER 595 HN SER 595 -7.930 -18.640 3.947 450 HA SER 595 HA SER 595 -6.790 -19.885 1.572 451 HB2 SER 595 1HB SER 595 -8.618 -20.746 3.768 452 HB3 SER 595 2HB SER 595 -8.789 -21.548 2.196 453 HG SER 595 HG SER 595 -7.136 -22.692 2.773 454 H GLU 596 HN GLU 596 -7.421 -18.514 -0.088 455 HA GLU 596 HA GLU 596 -10.052 -17.550 -0.451 456 HB2 GLU 596 3HB GLU 596 -8.204 -16.452 -1.537 457 HB3 GLU 596 2HB GLU 596 -7.786 -17.933 -2.410 458 HG2 GLU 596 3HG GLU 596 -9.473 -17.703 -3.928 459 HG3 GLU 596 2HG GLU 596 -10.505 -16.812 -2.801 460 HE2 GLU 596 HE GLU 596 -9.295 -13.775 -3.867 Start of MODEL 8 1 H1 GLY 540 HN GLY 540 6.388 16.260 -13.639 2 HA2 GLY 540 2HA GLY 540 3.716 16.293 -12.932 3 HA3 GLY 540 3HA GLY 540 5.033 16.651 -11.824 4 HA PRO 541 HA PRO 541 3.606 20.897 -13.665 5 HB2 PRO 541 3HB PRO 541 1.298 20.876 -15.139 6 HB3 PRO 541 2HB PRO 541 2.901 20.655 -15.838 7 HG2 PRO 541 3HG PRO 541 0.871 18.594 -15.046 8 HG3 PRO 541 2HG PRO 541 1.860 18.703 -16.551 9 HD2 PRO 541 3HD PRO 541 2.480 17.029 -14.505 10 HD3 PRO 541 2HD PRO 541 3.713 17.808 -15.512 11 H HIS 542 HN HIS 542 0.908 18.665 -13.022 12 HA HIS 542 HA HIS 542 -0.695 20.558 -11.657 13 HB2 HIS 542 3HB HIS 542 -1.578 18.475 -12.654 14 HB3 HIS 542 2HB HIS 542 -0.718 17.541 -11.427 15 HD1 HIS 542 1HD HIS 542 -2.517 16.627 -9.978 16 HD2 HIS 542 2HD HIS 542 -3.055 20.669 -10.774 17 HE1 HIS 542 1HE HIS 542 -4.479 17.333 -8.573 18 HE2 HIS 542 2HE HIS 542 -4.809 19.803 -9.059 19 H MET 543 HN MET 543 -0.707 21.225 -9.594 20 HA MET 543 HA MET 543 1.479 20.935 -7.922 21 HB2 MET 543 3HB MET 543 -1.387 21.683 -7.340 22 HB3 MET 543 2HB MET 543 -0.128 21.717 -6.097 23 HG2 MET 543 3HG MET 543 1.144 23.350 -7.378 24 HG3 MET 543 2HG MET 543 -0.065 23.285 -8.664 25 HE1 MET 543 3HE MET 543 -1.737 24.497 -8.991 26 HE2 MET 543 1HE MET 543 -2.780 25.384 -7.877 27 HE3 MET 543 2HE MET 543 -1.288 26.120 -8.463 28 H GLY 544 HN GLY 544 2.236 19.097 -7.096 29 HA2 GLY 544 2HA GLY 544 0.741 17.580 -5.228 30 HA3 GLY 544 3HA GLY 544 0.831 16.720 -6.758 31 H ASP 545 HN ASP 545 2.053 16.414 -3.942 32 HA ASP 545 HA ASP 545 4.845 16.090 -4.829 33 HB2 ASP 545 3HB ASP 545 5.245 15.993 -2.248 34 HB3 ASP 545 2HB ASP 545 5.002 17.558 -3.037 35 HD2 ASP 545 HD ASP 545 2.332 16.328 -0.427 36 H LEU 546 HN LEU 546 2.046 14.542 -3.504 37 HA LEU 546 HA LEU 546 3.092 12.254 -2.365 38 HB2 LEU 546 3HB LEU 546 0.548 12.931 -3.753 39 HB3 LEU 546 2HB LEU 546 0.906 11.219 -3.469 40 HG LEU 546 HG LEU 546 -0.541 12.237 -1.736 41 HD11 LEU 546 1HD1 LEU 546 1.848 10.693 -1.358 42 HD12 LEU 546 2HD1 LEU 546 0.291 10.568 -0.538 43 HD13 LEU 546 3HD1 LEU 546 1.522 11.675 0.071 44 HD21 LEU 546 3HD2 LEU 546 1.913 13.776 -0.913 45 HD22 LEU 546 1HD2 LEU 546 0.300 13.849 -0.201 46 HD23 LEU 546 2HD2 LEU 546 0.577 14.480 -1.825 47 H ALA 547 HN ALA 547 2.842 13.129 -5.725 48 HA ALA 547 HA ALA 547 3.068 10.661 -6.969 49 HB1 ALA 547 1HB ALA 547 4.203 13.330 -7.787 50 HB2 ALA 547 2HB ALA 547 4.152 11.909 -8.832 51 HB3 ALA 547 3HB ALA 547 2.652 12.636 -8.258 52 H LYS 548 HN LYS 548 5.569 12.689 -5.528 53 HA LYS 548 HA LYS 548 7.780 11.171 -6.440 54 HB2 LYS 548 3HB LYS 548 7.558 13.582 -5.301 55 HB3 LYS 548 2HB LYS 548 7.969 12.638 -3.861 56 HG2 LYS 548 3HG LYS 548 10.018 13.438 -4.666 57 HG3 LYS 548 2HG LYS 548 9.940 11.745 -5.190 58 HD2 LYS 548 3HD LYS 548 10.656 12.789 -7.123 59 HD3 LYS 548 2HD LYS 548 8.900 12.744 -7.362 60 HE2 LYS 548 3HE LYS 548 8.826 15.069 -6.335 61 HE3 LYS 548 2HE LYS 548 10.590 15.075 -6.485 62 HZ1 LYS 548 3HZ LYS 548 9.628 14.283 -8.947 63 HZ2 LYS 548 1HZ LYS 548 10.312 15.779 -8.552 64 HZ3 LYS 548 2HZ LYS 548 8.635 15.569 -8.474 65 H GLU 549 HN GLU 549 5.928 11.150 -3.414 66 HA GLU 549 HA GLU 549 7.456 9.234 -2.058 67 HB2 GLU 549 3HB GLU 549 4.905 10.558 -1.719 68 HB3 GLU 549 2HB GLU 549 4.803 8.858 -1.239 69 HG2 GLU 549 3HG GLU 549 6.677 10.959 -0.163 70 HG3 GLU 549 2HG GLU 549 5.361 10.135 0.688 71 HE2 GLU 549 HE GLU 549 8.868 8.390 0.497 72 H ARG 550 HN ARG 550 4.347 8.746 -3.746 73 HA ARG 550 HA ARG 550 4.231 5.995 -3.583 74 HB2 ARG 550 3HB ARG 550 2.530 7.714 -4.528 75 HB3 ARG 550 2HB ARG 550 3.348 7.425 -6.071 76 HG2 ARG 550 3HG ARG 550 2.882 4.985 -5.792 77 HG3 ARG 550 2HG ARG 550 1.901 5.404 -4.378 78 HD2 ARG 550 3HD ARG 550 0.199 5.541 -5.844 79 HD3 ARG 550 2HD ARG 550 0.903 7.113 -6.246 80 HE ARG 550 HE ARG 550 2.050 4.967 -7.758 81 HH11 ARG 550 1HH1 ARG 550 -0.628 7.183 -7.557 82 HH12 ARG 550 2HH1 ARG 550 -0.967 7.132 -9.256 83 HH21 ARG 550 1HH2 ARG 550 1.614 4.892 -9.996 84 HH22 ARG 550 2HH2 ARG 550 0.309 5.828 -10.642 85 H ALA 551 HN ALA 551 6.058 8.002 -5.804 86 HA ALA 551 HA ALA 551 6.753 6.118 -7.729 87 HB1 ALA 551 1HB ALA 551 7.660 8.734 -6.920 88 HB2 ALA 551 2HB ALA 551 9.011 7.718 -7.422 89 HB3 ALA 551 3HB ALA 551 7.657 7.989 -8.518 90 H GLY 552 HN GLY 552 8.738 7.111 -4.925 91 HA2 GLY 552 2HA GLY 552 10.555 4.933 -5.247 92 HA3 GLY 552 3HA GLY 552 10.475 6.025 -3.873 93 H VAL 553 HN VAL 553 7.909 5.575 -2.965 94 HA VAL 553 HA VAL 553 8.189 3.392 -1.302 95 HB VAL 553 HB VAL 553 5.618 4.655 -2.259 96 HG11 VAL 553 1HG1 VAL 553 6.195 2.550 -0.245 97 HG12 VAL 553 2HG1 VAL 553 4.962 3.751 0.144 98 HG13 VAL 553 3HG1 VAL 553 4.799 2.753 -1.302 99 HG21 VAL 553 3HG2 VAL 553 6.570 5.217 0.446 100 HG22 VAL 553 1HG2 VAL 553 7.641 5.808 -0.824 101 HG23 VAL 553 2HG2 VAL 553 5.953 6.313 -0.789 102 H TYR 554 HN TYR 554 6.107 3.569 -4.194 103 HA TYR 554 HA TYR 554 5.238 0.944 -4.219 104 HB2 TYR 554 3HB TYR 554 4.273 2.612 -5.684 105 HB3 TYR 554 2HB TYR 554 5.802 2.787 -6.548 106 HD1 TYR 554 1HD TYR 554 2.993 0.465 -5.929 107 HD2 TYR 554 2HD TYR 554 6.421 1.310 -8.303 108 HE1 TYR 554 1HE TYR 554 2.317 -1.287 -7.517 109 HE2 TYR 554 2HE TYR 554 5.754 -0.438 -9.899 110 HH TYR 554 HH TYR 554 4.343 -2.123 -10.300 111 H THR 555 HN THR 555 8.212 2.320 -5.534 112 HA THR 555 HA THR 555 9.160 0.135 -6.961 113 HB THR 555 HB THR 555 10.871 2.033 -5.346 114 HG1 THR 555 1HG THR 555 9.795 3.399 -6.626 115 HG21 THR 555 3HG2 THR 555 11.736 1.050 -7.985 116 HG22 THR 555 1HG2 THR 555 11.668 -0.168 -6.712 117 HG23 THR 555 2HG2 THR 555 12.659 1.274 -6.500 118 H LYS 556 HN LYS 556 9.502 0.886 -3.516 119 HA LYS 556 HA LYS 556 11.081 -1.450 -2.973 120 HB2 LYS 556 3HB LYS 556 9.980 0.826 -1.439 121 HB3 LYS 556 2HB LYS 556 10.176 -0.681 -0.531 122 HG2 LYS 556 3HG LYS 556 12.221 0.238 -0.150 123 HG3 LYS 556 2HG LYS 556 12.567 -0.639 -1.652 124 HD2 LYS 556 3HD LYS 556 12.352 1.339 -2.969 125 HD3 LYS 556 2HD LYS 556 11.695 2.244 -1.595 126 HE2 LYS 556 3HE LYS 556 14.064 2.799 -2.048 127 HE3 LYS 556 2HE LYS 556 13.811 2.114 -0.436 128 HZ1 LYS 556 3HZ LYS 556 15.750 1.254 -1.866 129 HZ2 LYS 556 1HZ LYS 556 14.566 0.359 -2.679 130 HZ3 LYS 556 2HZ LYS 556 14.809 0.132 -1.020 131 H LEU 557 HN LEU 557 7.694 -0.634 -2.952 132 HA LEU 557 HA LEU 557 6.672 -2.634 -1.314 133 HB2 LEU 557 3HB LEU 557 5.665 -0.915 -3.475 134 HB3 LEU 557 2HB LEU 557 4.781 -2.438 -3.271 135 HG LEU 557 HG LEU 557 3.668 -0.706 -2.033 136 HD11 LEU 557 1HD1 LEU 557 3.200 -2.149 -0.416 137 HD12 LEU 557 2HD1 LEU 557 4.775 -1.895 0.336 138 HD13 LEU 557 3HD1 LEU 557 4.589 -3.107 -0.930 139 HD21 LEU 557 3HD2 LEU 557 6.366 -0.240 -0.780 140 HD22 LEU 557 1HD2 LEU 557 4.860 0.385 -0.109 141 HD23 LEU 557 2HD2 LEU 557 5.391 0.898 -1.711 142 H CYS 558 HN CYS 558 7.890 -2.790 -4.578 143 HA CYS 558 HA CYS 558 6.776 -5.277 -5.312 144 HB2 CYS 558 3HB CYS 558 9.352 -3.989 -6.234 145 HB3 CYS 558 2HB CYS 558 8.513 -5.317 -7.055 146 HG CYS 558 HG CYS 558 6.938 -2.332 -6.575 147 H GLY 559 HN GLY 559 9.220 -4.462 -3.093 148 HA2 GLY 559 2HA GLY 559 10.329 -7.192 -3.175 149 HA3 GLY 559 3HA GLY 559 11.126 -5.800 -2.457 150 H VAL 560 HN VAL 560 7.970 -5.548 -1.605 151 HA VAL 560 HA VAL 560 8.399 -7.049 0.897 152 HB VAL 560 HB VAL 560 6.734 -4.548 0.625 153 HG11 VAL 560 1HG1 VAL 560 6.807 -4.519 3.047 154 HG12 VAL 560 2HG1 VAL 560 6.169 -6.065 2.482 155 HG13 VAL 560 3HG1 VAL 560 7.834 -5.953 3.058 156 HG21 VAL 560 3HG2 VAL 560 9.619 -4.862 0.838 157 HG22 VAL 560 1HG2 VAL 560 8.660 -3.428 0.470 158 HG23 VAL 560 2HG2 VAL 560 8.940 -3.895 2.147 159 H PHE 561 HN PHE 561 6.203 -6.227 -1.677 160 HA PHE 561 HA PHE 561 4.529 -8.479 -1.017 161 HB2 PHE 561 3HB PHE 561 3.580 -5.644 -0.704 162 HB3 PHE 561 2HB PHE 561 2.448 -6.909 -1.186 163 HD1 PHE 561 2HD PHE 561 2.140 -8.915 0.309 164 HD2 PHE 561 1HD PHE 561 4.199 -5.402 1.551 165 HE1 PHE 561 2HE PHE 561 1.839 -9.574 2.660 166 HE2 PHE 561 1HE PHE 561 3.902 -6.057 3.904 167 HZ PHE 561 HZ PHE 561 2.720 -8.144 4.461 168 HA PRO 562 HA PRO 562 3.919 -8.614 -5.358 169 HB2 PRO 562 3HB PRO 562 1.379 -9.619 -5.562 170 HB3 PRO 562 2HB PRO 562 2.764 -10.574 -5.037 171 HG2 PRO 562 3HG PRO 562 0.678 -9.184 -3.390 172 HG3 PRO 562 2HG PRO 562 1.349 -10.848 -3.211 173 HD2 PRO 562 3HD PRO 562 2.141 -8.774 -1.649 174 HD3 PRO 562 2HD PRO 562 3.237 -10.077 -2.138 175 HA PRO 563 HA PRO 563 1.789 -5.118 -6.965 176 HB2 PRO 563 3HB PRO 563 0.805 -6.024 -9.353 177 HB3 PRO 563 2HB PRO 563 2.516 -5.732 -9.056 178 HG2 PRO 563 3HG PRO 563 0.980 -8.304 -8.937 179 HG3 PRO 563 2HG PRO 563 2.580 -7.966 -9.698 180 HD2 PRO 563 3HD PRO 563 2.332 -9.186 -7.285 181 HD3 PRO 563 2HD PRO 563 3.679 -8.101 -7.676 182 H HIS 564 HN HIS 564 -0.170 -8.070 -7.385 183 HA HIS 564 HA HIS 564 -2.663 -6.905 -7.633 184 HB2 HIS 564 3HB HIS 564 -3.539 -9.001 -7.357 185 HB3 HIS 564 2HB HIS 564 -1.853 -9.429 -7.669 186 HD1 HIS 564 1HD HIS 564 -0.423 -10.244 -5.647 187 HD2 HIS 564 2HD HIS 564 -4.432 -9.591 -4.778 188 HE1 HIS 564 1HE HIS 564 -0.815 -11.342 -3.419 189 HE2 HIS 564 2HE HIS 564 -3.264 -10.944 -2.887 190 H LEU 565 HN LEU 565 -0.689 -7.293 -4.799 191 HA LEU 565 HA LEU 565 -2.835 -6.683 -2.960 192 HB2 LEU 565 3HB LEU 565 -0.018 -7.507 -2.793 193 HB3 LEU 565 2HB LEU 565 -0.536 -6.381 -1.526 194 HG LEU 565 HG LEU 565 -1.794 -9.058 -2.124 195 HD11 LEU 565 1HD1 LEU 565 0.298 -8.143 -0.233 196 HD12 LEU 565 2HD1 LEU 565 0.100 -9.696 -1.043 197 HD13 LEU 565 3HD1 LEU 565 -0.893 -9.302 0.360 198 HD21 LEU 565 3HD2 LEU 565 -2.517 -6.811 -0.307 199 HD22 LEU 565 1HD2 LEU 565 -2.793 -8.467 0.232 200 HD23 LEU 565 2HD2 LEU 565 -3.556 -7.882 -1.247 201 H VAL 566 HN VAL 566 0.277 -5.105 -3.718 202 HA VAL 566 HA VAL 566 -0.137 -2.716 -2.413 203 HB VAL 566 HB VAL 566 1.289 -3.069 -5.054 204 HG11 VAL 566 1HG1 VAL 566 2.635 -1.113 -4.170 205 HG12 VAL 566 2HG1 VAL 566 0.991 -0.753 -4.699 206 HG13 VAL 566 3HG1 VAL 566 1.355 -0.893 -2.978 207 HG21 VAL 566 3HG2 VAL 566 2.965 -4.076 -3.979 208 HG22 VAL 566 1HG2 VAL 566 2.937 -2.890 -2.673 209 HG23 VAL 566 2HG2 VAL 566 1.852 -4.281 -2.626 210 H GLU 567 HN GLU 567 -0.942 -3.472 -5.800 211 HA GLU 567 HA GLU 567 -1.998 -1.026 -6.546 212 HB2 GLU 567 3HB GLU 567 -2.599 -3.849 -7.391 213 HB3 GLU 567 2HB GLU 567 -3.497 -2.486 -8.080 214 HG2 GLU 567 3HG GLU 567 -1.205 -1.490 -8.645 215 HG3 GLU 567 2HG GLU 567 -0.579 -3.113 -8.323 216 HE2 GLU 567 HE GLU 567 -3.132 -3.738 -11.126 217 H ALA 568 HN ALA 568 -3.406 -3.550 -4.590 218 HA ALA 568 HA ALA 568 -6.055 -2.392 -4.645 219 HB1 ALA 568 1HB ALA 568 -6.578 -4.160 -2.977 220 HB2 ALA 568 2HB ALA 568 -5.902 -4.780 -4.484 221 HB3 ALA 568 3HB ALA 568 -4.889 -4.664 -3.045 222 H VAL 569 HN VAL 569 -3.665 -3.006 -2.062 223 HA VAL 569 HA VAL 569 -4.893 -1.588 -0.035 224 HB VAL 569 HB VAL 569 -1.909 -1.732 -0.471 225 HG11 VAL 569 1HG1 VAL 569 -2.824 -0.188 1.308 226 HG12 VAL 569 2HG1 VAL 569 -3.425 -1.632 2.127 227 HG13 VAL 569 3HG1 VAL 569 -1.693 -1.422 1.866 228 HG21 VAL 569 3HG2 VAL 569 -3.794 -3.840 -0.088 229 HG22 VAL 569 1HG2 VAL 569 -2.038 -3.934 -0.224 230 HG23 VAL 569 2HG2 VAL 569 -2.789 -3.702 1.354 231 H MET 570 HN MET 570 -2.835 -0.411 -2.638 232 HA MET 570 HA MET 570 -2.365 2.177 -1.716 233 HB2 MET 570 3HB MET 570 -2.503 0.919 -4.432 234 HB3 MET 570 2HB MET 570 -2.354 2.678 -4.295 235 HG2 MET 570 3HG MET 570 -0.414 1.771 -2.563 236 HG3 MET 570 2HG MET 570 -0.366 0.595 -3.879 237 HE1 MET 570 3HE MET 570 2.459 3.514 -4.035 238 HE2 MET 570 1HE MET 570 1.828 2.357 -2.863 239 HE3 MET 570 2HE MET 570 2.441 1.792 -4.417 240 H ARG 571 HN ARG 571 -5.224 0.739 -3.051 241 HA ARG 571 HA ARG 571 -6.522 3.220 -3.690 242 HB2 ARG 571 3HB ARG 571 -6.936 0.807 -4.634 243 HB3 ARG 571 2HB ARG 571 -8.014 0.664 -3.238 244 HG2 ARG 571 3HG ARG 571 -8.314 3.078 -4.942 245 HG3 ARG 571 2HG ARG 571 -8.853 1.524 -5.603 246 HD2 ARG 571 3HD ARG 571 -9.933 1.374 -3.129 247 HD3 ARG 571 2HD ARG 571 -9.955 3.125 -3.381 248 HE ARG 571 HE ARG 571 -11.582 2.857 -4.980 249 HH11 ARG 571 1HH1 ARG 571 -10.187 -0.237 -4.202 250 HH12 ARG 571 2HH1 ARG 571 -11.375 -1.140 -5.081 251 HH21 ARG 571 1HH2 ARG 571 -13.154 1.678 -6.139 252 HH22 ARG 571 2HH2 ARG 571 -13.062 -0.050 -6.183 253 H ARG 572 HN ARG 572 -5.981 1.444 -0.844 254 HA ARG 572 HA ARG 572 -8.336 2.396 0.546 255 HB2 ARG 572 3HB ARG 572 -7.350 0.171 1.026 256 HB3 ARG 572 2HB ARG 572 -5.899 0.980 1.637 257 HG2 ARG 572 3HG ARG 572 -7.175 2.022 3.418 258 HG3 ARG 572 2HG ARG 572 -8.663 1.296 2.787 259 HD2 ARG 572 3HD ARG 572 -7.757 -0.950 3.194 260 HD3 ARG 572 2HD ARG 572 -6.269 -0.223 3.817 261 HE ARG 572 HE ARG 572 -7.341 0.211 5.797 262 HH11 ARG 572 1HH1 ARG 572 -9.697 -0.585 3.360 263 HH12 ARG 572 2HH1 ARG 572 -11.018 -0.669 4.479 264 HH21 ARG 572 1HH2 ARG 572 -9.071 0.104 7.279 265 HH22 ARG 572 2HH2 ARG 572 -10.660 -0.276 6.707 266 H PHE 573 HN PHE 573 -4.845 3.012 0.587 267 HA PHE 573 HA PHE 573 -5.369 5.438 2.172 268 HB2 PHE 573 3HB PHE 573 -3.014 3.565 2.094 269 HB3 PHE 573 2HB PHE 573 -2.825 5.226 2.658 270 HD1 PHE 573 2HD PHE 573 -5.087 2.312 3.226 271 HD2 PHE 573 1HD PHE 573 -3.024 5.636 4.903 272 HE1 PHE 573 2HE PHE 573 -5.867 1.662 5.467 273 HE2 PHE 573 1HE PHE 573 -3.799 4.991 7.147 274 HZ PHE 573 HZ PHE 573 -5.224 3.002 7.431 275 HA PRO 574 HA PRO 574 -3.999 6.766 -2.068 276 HB2 PRO 574 3HB PRO 574 -5.921 8.695 -2.353 277 HB3 PRO 574 2HB PRO 574 -6.169 7.003 -2.785 278 HG2 PRO 574 3HG PRO 574 -6.936 8.459 -0.277 279 HG3 PRO 574 2HG PRO 574 -7.906 7.309 -1.269 280 HD2 PRO 574 3HD PRO 574 -6.687 6.580 1.044 281 HD3 PRO 574 2HD PRO 574 -6.875 5.475 -0.328 282 H GLN 575 HN GLN 575 -4.258 8.092 1.037 283 HA GLN 575 HA GLN 575 -2.869 10.552 0.213 284 HB2 GLN 575 3HB GLN 575 -3.644 11.610 2.187 285 HB3 GLN 575 2HB GLN 575 -5.035 10.751 1.505 286 HG2 GLN 575 3HG GLN 575 -4.592 8.884 3.097 287 HG3 GLN 575 2HG GLN 575 -3.347 9.895 3.843 288 HE21 GLN 575 1HE2 GLN 575 -4.483 12.346 3.886 289 HE22 GLN 575 2HE2 GLN 575 -5.893 12.340 4.884 290 H LEU 576 HN LEU 576 -2.452 7.551 1.713 291 HA LEU 576 HA LEU 576 0.163 8.409 2.749 292 HB2 LEU 576 3HB LEU 576 -2.043 7.268 4.205 293 HB3 LEU 576 2HB LEU 576 -0.648 6.173 4.244 294 HG LEU 576 HG LEU 576 -0.725 9.033 5.200 295 HD11 LEU 576 1HD1 LEU 576 0.144 7.037 7.083 296 HD12 LEU 576 2HD1 LEU 576 -1.459 6.656 6.458 297 HD13 LEU 576 3HD1 LEU 576 -1.158 8.220 7.217 298 HD21 LEU 576 3HD2 LEU 576 1.448 8.992 4.599 299 HD22 LEU 576 1HD2 LEU 576 1.509 7.231 4.534 300 HD23 LEU 576 2HD2 LEU 576 1.624 8.060 6.086 301 H LEU 577 HN LEU 577 1.640 7.503 1.482 302 HA LEU 577 HA LEU 577 1.266 4.689 0.694 303 HB2 LEU 577 3HB LEU 577 2.355 7.020 -0.866 304 HB3 LEU 577 2HB LEU 577 2.767 5.347 -1.283 305 HG LEU 577 HG LEU 577 1.001 6.070 -2.721 306 HD11 LEU 577 1HD1 LEU 577 0.947 3.755 -1.619 307 HD12 LEU 577 2HD1 LEU 577 -0.513 4.323 -2.427 308 HD13 LEU 577 3HD1 LEU 577 -0.397 4.390 -0.670 309 HD21 LEU 577 3HD2 LEU 577 -0.833 6.554 -0.412 310 HD22 LEU 577 1HD2 LEU 577 -0.940 7.138 -2.073 311 HD23 LEU 577 2HD2 LEU 577 0.246 7.835 -0.968 312 H ASP 578 HN ASP 578 2.498 3.742 2.258 313 HA ASP 578 HA ASP 578 5.364 4.414 2.221 314 HB2 ASP 578 3HB ASP 578 3.520 4.455 4.466 315 HB3 ASP 578 2HB ASP 578 4.856 3.330 4.749 316 HD2 ASP 578 HD ASP 578 6.727 6.027 5.705 317 HA PRO 579 HA PRO 579 6.116 0.159 1.454 318 HB2 PRO 579 3HB PRO 579 8.536 -0.182 2.690 319 HB3 PRO 579 2HB PRO 579 8.328 0.723 1.191 320 HG2 PRO 579 3HG PRO 579 8.504 1.730 4.010 321 HG3 PRO 579 2HG PRO 579 9.319 2.348 2.525 322 HD2 PRO 579 3HD PRO 579 7.120 3.531 3.590 323 HD3 PRO 579 2HD PRO 579 7.434 3.488 1.846 324 H GLN 580 HN GLN 580 6.749 1.139 4.819 325 HA GLN 580 HA GLN 580 6.288 -1.523 5.817 326 HB2 GLN 580 3HB GLN 580 6.847 1.143 7.099 327 HB3 GLN 580 2HB GLN 580 6.395 -0.268 8.069 328 HG2 GLN 580 3HG GLN 580 8.407 -1.225 7.868 329 HG3 GLN 580 2HG GLN 580 8.545 -0.784 6.161 330 HE21 GLN 580 1HE2 GLN 580 8.515 1.854 6.085 331 HE22 GLN 580 2HE2 GLN 580 9.808 2.538 7.005 332 H GLN 581 HN GLN 581 4.573 1.582 5.929 333 HA GLN 581 HA GLN 581 2.430 0.889 7.519 334 HB2 GLN 581 3HB GLN 581 2.633 2.745 5.151 335 HB3 GLN 581 2HB GLN 581 1.140 2.579 6.089 336 HG2 GLN 581 3HG GLN 581 2.221 3.357 8.086 337 HG3 GLN 581 2HG GLN 581 3.791 3.363 7.272 338 HE21 GLN 581 1HE2 GLN 581 4.376 5.418 7.150 339 HE22 GLN 581 2HE2 GLN 581 3.412 6.704 6.518 340 H LEU 582 HN LEU 582 2.565 0.685 3.961 341 HA LEU 582 HA LEU 582 0.097 -0.463 3.511 342 HB2 LEU 582 3HB LEU 582 2.727 -0.800 2.078 343 HB3 LEU 582 2HB LEU 582 1.220 -1.525 1.491 344 HG LEU 582 HG LEU 582 1.661 1.436 1.875 345 HD11 LEU 582 1HD1 LEU 582 2.298 1.636 -0.286 346 HD12 LEU 582 2HD1 LEU 582 1.354 0.243 -0.813 347 HD13 LEU 582 3HD1 LEU 582 2.903 0.004 -0.006 348 HD21 LEU 582 3HD2 LEU 582 -0.411 1.676 0.637 349 HD22 LEU 582 1HD2 LEU 582 -0.675 0.698 2.081 350 HD23 LEU 582 2HD2 LEU 582 -0.559 -0.077 0.501 351 H ALA 583 HN ALA 583 3.012 -1.928 4.736 352 HA ALA 583 HA ALA 583 2.334 -4.635 4.310 353 HB1 ALA 583 1HB ALA 583 3.996 -3.677 6.618 354 HB2 ALA 583 2HB ALA 583 4.142 -5.172 5.693 355 HB3 ALA 583 3HB ALA 583 4.598 -3.635 4.961 356 H ALA 584 HN ALA 584 1.754 -2.435 7.024 357 HA ALA 584 HA ALA 584 0.643 -4.312 8.792 358 HB1 ALA 584 1HB ALA 584 -0.502 -1.627 8.964 359 HB2 ALA 584 2HB ALA 584 0.390 -2.561 10.165 360 HB3 ALA 584 3HB ALA 584 1.261 -1.656 8.926 361 H GLU 585 HN GLU 585 -0.856 -2.244 6.335 362 HA GLU 585 HA GLU 585 -3.528 -2.948 6.919 363 HB2 GLU 585 3HB GLU 585 -2.245 -1.919 4.379 364 HB3 GLU 585 2HB GLU 585 -3.994 -2.089 4.609 365 HG2 GLU 585 3HG GLU 585 -4.147 -0.301 5.998 366 HG3 GLU 585 2HG GLU 585 -2.514 -0.529 6.641 367 HE2 GLU 585 HE GLU 585 -2.674 1.330 3.129 368 H ILE 586 HN ILE 586 -1.221 -4.188 4.521 369 HA ILE 586 HA ILE 586 -2.917 -6.041 3.292 370 HB ILE 586 HB ILE 586 0.075 -6.197 3.676 371 HG12 ILE 586 1HG1 ILE 586 -1.296 -5.443 1.123 372 HG13 ILE 586 2HG1 ILE 586 -1.134 -4.227 2.401 373 HG21 ILE 586 1HG2 ILE 586 -0.820 -8.380 3.139 374 HG22 ILE 586 2HG2 ILE 586 -1.732 -7.702 1.790 375 HG23 ILE 586 3HG2 ILE 586 0.030 -7.721 1.740 376 HD11 ILE 586 3HD1 ILE 586 1.355 -4.831 2.401 377 HD12 ILE 586 1HD1 ILE 586 1.023 -5.592 0.845 378 HD13 ILE 586 2HD1 ILE 586 0.726 -3.867 1.064 379 H LEU 587 HN LEU 587 -0.959 -6.275 6.206 380 HA LEU 587 HA LEU 587 -1.029 -9.010 6.646 381 HB2 LEU 587 3HB LEU 587 -0.828 -6.603 8.388 382 HB3 LEU 587 2HB LEU 587 -1.157 -8.164 9.160 383 HG LEU 587 HG LEU 587 1.174 -7.834 7.303 384 HD11 LEU 587 1HD1 LEU 587 2.153 -6.412 8.696 385 HD12 LEU 587 2HD1 LEU 587 2.126 -7.677 9.924 386 HD13 LEU 587 3HD1 LEU 587 0.806 -6.512 9.830 387 HD21 LEU 587 3HD2 LEU 587 0.165 -10.050 8.349 388 HD22 LEU 587 1HD2 LEU 587 1.145 -9.548 9.726 389 HD23 LEU 587 2HD2 LEU 587 1.903 -9.816 8.157 390 H SER 588 HN SER 588 -3.483 -6.569 7.274 391 HA SER 588 HA SER 588 -5.228 -8.400 8.652 392 HB2 SER 588 1HB SER 588 -5.416 -5.539 7.747 393 HB3 SER 588 2HB SER 588 -6.883 -6.409 8.236 394 HG SER 588 HG SER 588 -5.252 -5.213 9.830 395 H TYR 589 HN TYR 589 -5.272 -6.757 5.495 396 HA TYR 589 HA TYR 589 -7.626 -7.851 4.505 397 HB2 TYR 589 3HB TYR 589 -6.570 -6.040 3.345 398 HB3 TYR 589 2HB TYR 589 -5.107 -6.990 3.076 399 HD1 TYR 589 1HD TYR 589 -8.753 -7.058 2.270 400 HD2 TYR 589 2HD TYR 589 -4.806 -8.077 1.053 401 HE1 TYR 589 1HE TYR 589 -9.627 -7.827 0.103 402 HE2 TYR 589 2HE TYR 589 -5.667 -8.847 -1.119 403 HH TYR 589 HH TYR 589 -8.430 -9.741 -1.788 404 H LYS 590 HN LYS 590 -4.375 -9.184 4.599 405 HA LYS 590 HA LYS 590 -4.862 -11.402 2.908 406 HB2 LYS 590 3HB LYS 590 -2.776 -10.717 4.954 407 HB3 LYS 590 2HB LYS 590 -2.837 -12.347 4.265 408 HG2 LYS 590 3HG LYS 590 -2.916 -10.141 2.308 409 HG3 LYS 590 2HG LYS 590 -1.407 -10.320 3.219 410 HD2 LYS 590 3HD LYS 590 -0.949 -11.746 1.496 411 HD3 LYS 590 2HD LYS 590 -1.760 -12.874 2.594 412 HE2 LYS 590 3HE LYS 590 -2.668 -13.177 0.385 413 HE3 LYS 590 2HE LYS 590 -3.895 -12.421 1.412 414 HZ1 LYS 590 3HZ LYS 590 -3.547 -10.341 0.401 415 HZ2 LYS 590 1HZ LYS 590 -3.616 -11.451 -0.874 416 HZ3 LYS 590 2HZ LYS 590 -2.124 -10.843 -0.361 417 H SER 591 HN SER 591 -4.659 -11.182 6.463 418 HA SER 591 HA SER 591 -5.446 -13.830 6.966 419 HB2 SER 591 1HB SER 591 -5.266 -11.315 8.566 420 HB3 SER 591 2HB SER 591 -6.224 -12.648 9.234 421 HG SER 591 HG SER 591 -4.446 -13.934 9.267 422 H GLN 592 HN GLN 592 -7.266 -10.987 6.187 423 HA GLN 592 HA GLN 592 -9.774 -11.712 7.211 424 HB2 GLN 592 3HB GLN 592 -8.872 -9.929 4.968 425 HB3 GLN 592 2HB GLN 592 -10.596 -10.234 5.231 426 HG2 GLN 592 3HG GLN 592 -9.088 -9.458 7.637 427 HG3 GLN 592 2HG GLN 592 -9.206 -8.222 6.376 428 HE21 GLN 592 1HE2 GLN 592 -11.167 -7.297 5.912 429 HE22 GLN 592 2HE2 GLN 592 -12.575 -7.534 6.884 430 H HIS 593 HN HIS 593 -8.038 -12.753 4.386 431 HA HIS 593 HA HIS 593 -10.395 -14.122 3.326 432 HB2 HIS 593 3HB HIS 593 -7.607 -13.726 2.217 433 HB3 HIS 593 2HB HIS 593 -8.855 -14.684 1.414 434 HD1 HIS 593 1HD HIS 593 -9.142 -13.187 -0.614 435 HD2 HIS 593 2HD HIS 593 -9.675 -11.183 2.986 436 HE1 HIS 593 1HE HIS 593 -10.083 -10.938 -1.230 437 HE2 HIS 593 2HE HIS 593 -10.409 -9.711 0.969 438 H LEU 594 HN LEU 594 -9.048 -14.936 5.823 439 HA LEU 594 HA LEU 594 -8.460 -17.710 5.048 440 HB2 LEU 594 3HB LEU 594 -7.063 -16.272 7.302 441 HB3 LEU 594 2HB LEU 594 -6.698 -17.872 6.636 442 HG LEU 594 HG LEU 594 -6.216 -15.210 5.306 443 HD11 LEU 594 1HD1 LEU 594 -3.913 -15.675 5.569 444 HD12 LEU 594 2HD1 LEU 594 -4.233 -17.326 6.101 445 HD13 LEU 594 3HD1 LEU 594 -4.660 -15.965 7.139 446 HD21 LEU 594 3HD2 LEU 594 -4.947 -17.226 3.867 447 HD22 LEU 594 1HD2 LEU 594 -6.355 -16.288 3.368 448 HD23 LEU 594 2HD2 LEU 594 -6.573 -17.842 4.176 449 H SER 595 HN SER 595 -9.514 -15.486 7.582 450 HA SER 595 HA SER 595 -10.667 -17.697 9.101 451 HB2 SER 595 1HB SER 595 -10.754 -14.760 9.827 452 HB3 SER 595 2HB SER 595 -10.944 -16.159 10.898 453 HG SER 595 HG SER 595 -8.756 -16.665 10.535 454 H GLU 596 HN GLU 596 -12.621 -18.358 8.514 455 HA GLU 596 HA GLU 596 -14.545 -16.372 7.509 456 HB2 GLU 596 3HB GLU 596 -14.164 -19.303 6.995 457 HB3 GLU 596 2HB GLU 596 -15.754 -18.563 6.755 458 HG2 GLU 596 3HG GLU 596 -15.020 -17.215 5.010 459 HG3 GLU 596 2HG GLU 596 -13.322 -17.384 5.478 460 HE2 GLU 596 HE GLU 596 -13.415 -19.599 2.773 Start of MODEL 9 1 H1 GLY 540 HN GLY 540 -4.889 20.105 -16.716 2 HA2 GLY 540 2HA GLY 540 -6.730 19.363 -15.110 3 HA3 GLY 540 3HA GLY 540 -5.621 18.098 -15.621 4 HA PRO 541 HA PRO 541 -4.395 17.323 -11.490 5 HB2 PRO 541 3HB PRO 541 -1.685 16.972 -11.672 6 HB3 PRO 541 2HB PRO 541 -2.861 15.817 -12.297 7 HG2 PRO 541 3HG PRO 541 -1.363 17.975 -13.742 8 HG3 PRO 541 2HG PRO 541 -1.643 16.261 -14.228 9 HD2 PRO 541 3HD PRO 541 -3.073 18.327 -15.256 10 HD3 PRO 541 2HD PRO 541 -3.771 16.722 -14.986 11 H HIS 542 HN HIS 542 -4.836 19.202 -10.354 12 HA HIS 542 HA HIS 542 -3.255 21.545 -10.456 13 HB2 HIS 542 3HB HIS 542 -5.073 20.586 -8.231 14 HB3 HIS 542 2HB HIS 542 -4.492 22.239 -8.460 15 HD1 HIS 542 1HD HIS 542 -7.509 20.723 -8.737 16 HD2 HIS 542 2HD HIS 542 -5.239 22.787 -11.538 17 HE1 HIS 542 1HE HIS 542 -9.141 21.490 -10.491 18 HE2 HIS 542 2HE HIS 542 -7.753 22.752 -12.203 19 H MET 543 HN MET 543 -3.581 19.222 -7.763 20 HA MET 543 HA MET 543 -0.760 19.760 -7.101 21 HB2 MET 543 3HB MET 543 -3.173 19.485 -5.335 22 HB3 MET 543 2HB MET 543 -1.563 19.097 -4.713 23 HG2 MET 543 3HG MET 543 -1.868 21.310 -4.074 24 HG3 MET 543 2HG MET 543 -0.882 21.417 -5.535 25 HE1 MET 543 3HE MET 543 -1.338 23.838 -6.005 26 HE2 MET 543 1HE MET 543 -2.927 24.590 -6.149 27 HE3 MET 543 2HE MET 543 -2.346 24.049 -4.573 28 H GLY 544 HN GLY 544 0.552 18.044 -7.011 29 HA2 GLY 544 2HA GLY 544 -0.497 15.408 -6.381 30 HA3 GLY 544 3HA GLY 544 0.120 15.601 -8.015 31 H ASP 545 HN ASP 545 1.290 16.855 -4.901 32 HA ASP 545 HA ASP 545 4.002 16.276 -5.558 33 HB2 ASP 545 3HB ASP 545 2.989 16.826 -2.769 34 HB3 ASP 545 2HB ASP 545 4.561 17.228 -3.471 35 HD2 ASP 545 HD ASP 545 3.356 20.141 -4.904 36 H LEU 546 HN LEU 546 1.470 14.545 -3.955 37 HA LEU 546 HA LEU 546 2.902 12.772 -2.366 38 HB2 LEU 546 3HB LEU 546 0.266 12.762 -3.718 39 HB3 LEU 546 2HB LEU 546 0.906 11.187 -3.219 40 HG LEU 546 HG LEU 546 0.756 13.442 -1.254 41 HD11 LEU 546 1HD1 LEU 546 -1.464 13.142 -0.800 42 HD12 LEU 546 2HD1 LEU 546 -1.498 11.513 -1.475 43 HD13 LEU 546 3HD1 LEU 546 -1.471 12.911 -2.549 44 HD21 LEU 546 3HD2 LEU 546 1.871 11.045 -1.016 45 HD22 LEU 546 1HD2 LEU 546 0.211 10.593 -0.628 46 HD23 LEU 546 2HD2 LEU 546 1.034 11.827 0.327 47 H ALA 547 HN ALA 547 2.598 12.928 -5.812 48 HA ALA 547 HA ALA 547 3.143 10.345 -6.610 49 HB1 ALA 547 1HB ALA 547 3.336 11.237 -8.650 50 HB2 ALA 547 2HB ALA 547 2.934 12.767 -7.869 51 HB3 ALA 547 3HB ALA 547 4.621 12.337 -8.148 52 H LYS 548 HN LYS 548 5.283 12.701 -5.184 53 HA LYS 548 HA LYS 548 7.745 11.523 -5.879 54 HB2 LYS 548 3HB LYS 548 7.091 13.829 -4.705 55 HB3 LYS 548 2HB LYS 548 7.467 12.892 -3.249 56 HG2 LYS 548 3HG LYS 548 9.446 14.045 -3.861 57 HG3 LYS 548 2HG LYS 548 9.681 12.340 -4.283 58 HD2 LYS 548 3HD LYS 548 10.474 13.415 -6.178 59 HD3 LYS 548 2HD LYS 548 8.796 13.055 -6.619 60 HE2 LYS 548 3HE LYS 548 9.126 15.299 -7.269 61 HE3 LYS 548 2HE LYS 548 8.225 15.377 -5.748 62 HZ1 LYS 548 3HZ LYS 548 10.014 16.186 -4.615 63 HZ2 LYS 548 1HZ LYS 548 10.328 16.851 -6.139 64 HZ3 LYS 548 2HZ LYS 548 11.153 15.463 -5.636 65 H GLU 549 HN GLU 549 5.662 11.118 -3.033 66 HA GLU 549 HA GLU 549 7.351 9.309 -1.675 67 HB2 GLU 549 3HB GLU 549 4.560 10.249 -1.435 68 HB3 GLU 549 2HB GLU 549 4.881 8.644 -0.761 69 HG2 GLU 549 3HG GLU 549 6.250 11.229 -0.021 70 HG3 GLU 549 2HG GLU 549 5.122 10.288 0.966 71 HE2 GLU 549 HE GLU 549 8.556 9.455 1.903 72 H ARG 550 HN ARG 550 4.323 8.661 -3.453 73 HA ARG 550 HA ARG 550 4.401 5.906 -3.398 74 HB2 ARG 550 3HB ARG 550 2.464 7.113 -4.205 75 HB3 ARG 550 2HB ARG 550 3.384 7.720 -5.589 76 HG2 ARG 550 3HG ARG 550 3.363 5.690 -6.688 77 HG3 ARG 550 2HG ARG 550 3.087 4.779 -5.194 78 HD2 ARG 550 3HD ARG 550 1.088 4.839 -6.648 79 HD3 ARG 550 2HD ARG 550 0.814 5.583 -5.065 80 HE ARG 550 HE ARG 550 0.465 7.595 -6.102 81 HH11 ARG 550 1HH1 ARG 550 1.976 5.398 -8.340 82 HH12 ARG 550 2HH1 ARG 550 1.783 6.449 -9.704 83 HH21 ARG 550 1HH2 ARG 550 0.205 8.988 -7.890 84 HH22 ARG 550 2HH2 ARG 550 0.777 8.491 -9.447 85 H ALA 551 HN ALA 551 6.077 8.118 -5.562 86 HA ALA 551 HA ALA 551 6.967 6.403 -7.527 87 HB1 ALA 551 1HB ALA 551 7.639 8.486 -8.057 88 HB2 ALA 551 2HB ALA 551 7.926 8.936 -6.376 89 HB3 ALA 551 3HB ALA 551 9.130 7.991 -7.253 90 H GLY 552 HN GLY 552 8.771 7.248 -4.558 91 HA2 GLY 552 2HA GLY 552 10.674 5.139 -4.979 92 HA3 GLY 552 3HA GLY 552 10.564 6.179 -3.567 93 H VAL 553 HN VAL 553 8.008 5.660 -2.687 94 HA VAL 553 HA VAL 553 8.309 3.418 -1.108 95 HB VAL 553 HB VAL 553 5.714 4.662 -2.028 96 HG11 VAL 553 1HG1 VAL 553 5.109 3.696 0.370 97 HG12 VAL 553 2HG1 VAL 553 4.928 2.737 -1.100 98 HG13 VAL 553 3HG1 VAL 553 6.348 2.522 -0.074 99 HG21 VAL 553 3HG2 VAL 553 6.686 5.189 0.682 100 HG22 VAL 553 1HG2 VAL 553 7.713 5.843 -0.594 101 HG23 VAL 553 2HG2 VAL 553 6.009 6.293 -0.515 102 H TYR 554 HN TYR 554 6.234 3.679 -4.001 103 HA TYR 554 HA TYR 554 5.386 1.056 -4.135 104 HB2 TYR 554 3HB TYR 554 4.467 2.812 -5.556 105 HB3 TYR 554 2HB TYR 554 6.001 2.942 -6.420 106 HD1 TYR 554 2HD TYR 554 3.141 0.673 -5.791 107 HD2 TYR 554 1HD TYR 554 6.532 1.506 -8.223 108 HE1 TYR 554 2HE TYR 554 2.403 -1.037 -7.396 109 HE2 TYR 554 1HE TYR 554 5.802 -0.202 -9.836 110 HH TYR 554 HH TYR 554 4.024 -2.527 -9.373 111 H THR 555 HN THR 555 8.336 2.490 -5.474 112 HA THR 555 HA THR 555 9.323 0.358 -6.918 113 HB THR 555 HB THR 555 10.998 2.211 -5.214 114 HG1 THR 555 1HG THR 555 10.958 3.582 -7.004 115 HG21 THR 555 3HG2 THR 555 12.817 1.480 -6.333 116 HG22 THR 555 1HG2 THR 555 11.939 1.297 -7.851 117 HG23 THR 555 2HG2 THR 555 11.834 0.043 -6.615 118 H LYS 556 HN LYS 556 9.600 0.972 -3.442 119 HA LYS 556 HA LYS 556 11.189 -1.371 -2.963 120 HB2 LYS 556 3HB LYS 556 10.032 0.828 -1.360 121 HB3 LYS 556 2HB LYS 556 10.231 -0.715 -0.511 122 HG2 LYS 556 3HG LYS 556 12.229 0.336 -0.059 123 HG3 LYS 556 2HG LYS 556 12.636 -0.651 -1.474 124 HD2 LYS 556 3HD LYS 556 12.358 1.267 -2.945 125 HD3 LYS 556 2HD LYS 556 11.854 2.264 -1.569 126 HE2 LYS 556 3HE LYS 556 14.096 2.839 -1.825 127 HE3 LYS 556 2HE LYS 556 14.134 1.614 -0.547 128 HZ1 LYS 556 3HZ LYS 556 14.744 -0.045 -2.188 129 HZ2 LYS 556 1HZ LYS 556 15.852 1.232 -2.205 130 HZ3 LYS 556 2HZ LYS 556 14.684 1.109 -3.423 131 H LEU 557 HN LEU 557 7.788 -0.561 -2.895 132 HA LEU 557 HA LEU 557 6.788 -2.685 -1.401 133 HB2 LEU 557 3HB LEU 557 5.747 -0.829 -3.443 134 HB3 LEU 557 2HB LEU 557 4.855 -2.350 -3.274 135 HG LEU 557 HG LEU 557 3.809 -0.647 -1.931 136 HD11 LEU 557 1HD1 LEU 557 4.878 -1.939 0.370 137 HD12 LEU 557 2HD1 LEU 557 4.771 -3.111 -0.941 138 HD13 LEU 557 3HD1 LEU 557 3.337 -2.215 -0.441 139 HD21 LEU 557 3HD2 LEU 557 5.082 0.306 0.022 140 HD22 LEU 557 1HD2 LEU 557 5.566 0.902 -1.566 141 HD23 LEU 557 2HD2 LEU 557 6.551 -0.305 -0.738 142 H CYS 558 HN CYS 558 7.970 -2.584 -4.679 143 HA CYS 558 HA CYS 558 6.846 -5.009 -5.589 144 HB2 CYS 558 3HB CYS 558 9.401 -3.641 -6.448 145 HB3 CYS 558 2HB CYS 558 8.559 -4.907 -7.355 146 HG CYS 558 HG CYS 558 7.982 -1.641 -7.304 147 H GLY 559 HN GLY 559 9.363 -4.344 -3.386 148 HA2 GLY 559 2HA GLY 559 10.421 -7.083 -3.661 149 HA3 GLY 559 3HA GLY 559 11.285 -5.743 -2.923 150 H VAL 560 HN VAL 560 8.180 -5.469 -1.900 151 HA VAL 560 HA VAL 560 8.711 -7.077 0.514 152 HB VAL 560 HB VAL 560 7.064 -4.551 0.401 153 HG11 VAL 560 1HG1 VAL 560 6.488 -6.080 2.214 154 HG12 VAL 560 2HG1 VAL 560 8.178 -6.125 2.721 155 HG13 VAL 560 3HG1 VAL 560 7.261 -4.622 2.837 156 HG21 VAL 560 3HG2 VAL 560 9.348 -4.041 1.893 157 HG22 VAL 560 1HG2 VAL 560 9.935 -4.902 0.470 158 HG23 VAL 560 2HG2 VAL 560 8.985 -3.429 0.280 159 H PHE 561 HN PHE 561 6.448 -6.229 -1.969 160 HA PHE 561 HA PHE 561 4.768 -8.460 -1.260 161 HB2 PHE 561 3HB PHE 561 3.855 -5.616 -0.926 162 HB3 PHE 561 2HB PHE 561 2.697 -6.870 -1.378 163 HD1 PHE 561 1HD PHE 561 2.467 -8.907 0.120 164 HD2 PHE 561 2HD PHE 561 4.471 -5.348 1.319 165 HE1 PHE 561 1HE PHE 561 2.217 -9.565 2.477 166 HE2 PHE 561 2HE PHE 561 4.226 -6.000 3.678 167 HZ PHE 561 HZ PHE 561 3.099 -8.111 4.261 168 HA PRO 562 HA PRO 562 4.041 -8.595 -5.583 169 HB2 PRO 562 3HB PRO 562 1.485 -9.570 -5.718 170 HB3 PRO 562 2HB PRO 562 2.872 -10.541 -5.228 171 HG2 PRO 562 3HG PRO 562 0.846 -9.123 -3.530 172 HG3 PRO 562 2HG PRO 562 1.503 -10.796 -3.367 173 HD2 PRO 562 3HD PRO 562 2.359 -8.728 -1.829 174 HD3 PRO 562 2HD PRO 562 3.427 -10.044 -2.344 175 HA PRO 563 HA PRO 563 1.922 -5.065 -7.128 176 HB2 PRO 563 3HB PRO 563 0.903 -5.950 -9.512 177 HB3 PRO 563 2HB PRO 563 2.620 -5.667 -9.233 178 HG2 PRO 563 3HG PRO 563 1.070 -8.233 -9.112 179 HG3 PRO 563 2HG PRO 563 2.663 -7.897 -9.891 180 HD2 PRO 563 3HD PRO 563 2.438 -9.133 -7.483 181 HD3 PRO 563 2HD PRO 563 3.785 -8.053 -7.883 182 H HIS 564 HN HIS 564 -0.054 -8.007 -7.518 183 HA HIS 564 HA HIS 564 -2.545 -6.801 -7.718 184 HB2 HIS 564 3HB HIS 564 -3.460 -8.898 -7.437 185 HB3 HIS 564 2HB HIS 564 -1.808 -9.313 -7.907 186 HD1 HIS 564 1HD HIS 564 -0.243 -10.290 -6.083 187 HD2 HIS 564 2HD HIS 564 -4.129 -9.571 -4.800 188 HE1 HIS 564 1HE HIS 564 -0.459 -11.491 -3.884 189 HE2 HIS 564 2HE HIS 564 -2.833 -11.052 -3.098 190 H LEU 565 HN LEU 565 -0.500 -7.218 -4.961 191 HA LEU 565 HA LEU 565 -2.602 -6.725 -3.036 192 HB2 LEU 565 3HB LEU 565 0.282 -7.379 -2.965 193 HB3 LEU 565 2HB LEU 565 -0.335 -6.408 -1.619 194 HG LEU 565 HG LEU 565 -1.337 -9.134 -2.438 195 HD11 LEU 565 1HD1 LEU 565 0.732 -8.205 -0.589 196 HD12 LEU 565 2HD1 LEU 565 0.476 -9.796 -1.303 197 HD13 LEU 565 3HD1 LEU 565 -0.437 -9.315 0.127 198 HD21 LEU 565 3HD2 LEU 565 -2.379 -8.763 -0.020 199 HD22 LEU 565 1HD2 LEU 565 -3.219 -8.282 -1.494 200 HD23 LEU 565 2HD2 LEU 565 -2.339 -7.080 -0.550 201 H VAL 566 HN VAL 566 0.436 -5.029 -3.841 202 HA VAL 566 HA VAL 566 -0.048 -2.682 -2.472 203 HB VAL 566 HB VAL 566 1.398 -2.965 -5.111 204 HG11 VAL 566 1HG1 VAL 566 1.385 -0.780 -3.042 205 HG12 VAL 566 2HG1 VAL 566 2.650 -0.948 -4.261 206 HG13 VAL 566 3HG1 VAL 566 0.980 -0.659 -4.753 207 HG21 VAL 566 3HG2 VAL 566 2.002 -4.179 -2.720 208 HG22 VAL 566 1HG2 VAL 566 3.143 -3.844 -4.022 209 HG23 VAL 566 2HG2 VAL 566 2.985 -2.715 -2.677 210 H GLU 567 HN GLU 567 -0.741 -3.319 -5.913 211 HA GLU 567 HA GLU 567 -1.911 -0.913 -6.576 212 HB2 GLU 567 3HB GLU 567 -2.450 -3.721 -7.532 213 HB3 GLU 567 2HB GLU 567 -3.287 -2.322 -8.222 214 HG2 GLU 567 3HG GLU 567 -1.064 -1.336 -8.774 215 HG3 GLU 567 2HG GLU 567 -0.328 -2.856 -8.244 216 HE2 GLU 567 HE GLU 567 -2.662 -3.747 -11.235 217 H ALA 568 HN ALA 568 -3.224 -3.550 -4.714 218 HA ALA 568 HA ALA 568 -5.930 -2.540 -4.788 219 HB1 ALA 568 1HB ALA 568 -6.389 -4.356 -3.169 220 HB2 ALA 568 2HB ALA 568 -5.615 -4.922 -4.650 221 HB3 ALA 568 3HB ALA 568 -4.670 -4.750 -3.171 222 H VAL 569 HN VAL 569 -3.551 -3.047 -2.174 223 HA VAL 569 HA VAL 569 -4.891 -1.719 -0.153 224 HB VAL 569 HB VAL 569 -1.896 -1.702 -0.536 225 HG11 VAL 569 1HG1 VAL 569 -2.511 -0.228 1.223 226 HG12 VAL 569 2HG1 VAL 569 -3.668 -1.388 1.877 227 HG13 VAL 569 3HG1 VAL 569 -1.938 -1.715 1.977 228 HG21 VAL 569 3HG2 VAL 569 -3.709 -3.899 -0.127 229 HG22 VAL 569 1HG2 VAL 569 -1.964 -3.919 -0.377 230 HG23 VAL 569 2HG2 VAL 569 -2.620 -3.732 1.248 231 H MET 570 HN MET 570 -2.905 -0.411 -2.740 232 HA MET 570 HA MET 570 -2.523 2.179 -1.802 233 HB2 MET 570 3HB MET 570 -2.707 0.959 -4.532 234 HB3 MET 570 2HB MET 570 -2.623 2.719 -4.370 235 HG2 MET 570 3HG MET 570 -0.578 2.017 -2.760 236 HG3 MET 570 2HG MET 570 -0.554 0.677 -3.909 237 HE1 MET 570 3HE MET 570 2.367 2.555 -4.866 238 HE2 MET 570 1HE MET 570 1.780 3.935 -3.938 239 HE3 MET 570 2HE MET 570 1.626 2.304 -3.285 240 H ARG 571 HN ARG 571 -5.368 0.647 -3.059 241 HA ARG 571 HA ARG 571 -6.796 3.040 -3.681 242 HB2 ARG 571 3HB ARG 571 -7.289 0.781 -4.648 243 HB3 ARG 571 2HB ARG 571 -7.931 0.308 -3.067 244 HG2 ARG 571 3HG ARG 571 -9.055 2.789 -4.200 245 HG3 ARG 571 2HG ARG 571 -9.437 1.291 -5.067 246 HD2 ARG 571 3HD ARG 571 -10.664 0.425 -3.341 247 HD3 ARG 571 2HD ARG 571 -9.703 1.261 -2.114 248 HE ARG 571 HE ARG 571 -11.298 3.030 -3.721 249 HH11 ARG 571 1HH1 ARG 571 -11.250 0.973 -0.913 250 HH12 ARG 571 2HH1 ARG 571 -12.546 1.806 -0.120 251 HH21 ARG 571 1HH2 ARG 571 -13.005 4.136 -2.687 252 HH22 ARG 571 2HH2 ARG 571 -13.543 3.604 -1.130 253 H ARG 572 HN ARG 572 -6.169 1.264 -0.794 254 HA ARG 572 HA ARG 572 -8.394 2.381 0.675 255 HB2 ARG 572 3HB ARG 572 -7.583 0.132 1.203 256 HB3 ARG 572 2HB ARG 572 -5.997 0.797 1.619 257 HG2 ARG 572 3HG ARG 572 -6.842 1.902 3.538 258 HG3 ARG 572 2HG ARG 572 -8.516 1.599 3.045 259 HD2 ARG 572 3HD ARG 572 -8.272 -0.769 3.415 260 HD3 ARG 572 2HD ARG 572 -6.538 -0.575 3.712 261 HE ARG 572 HE ARG 572 -7.782 1.018 5.577 262 HH11 ARG 572 1HH1 ARG 572 -7.812 -2.357 4.720 263 HH12 ARG 572 2HH1 ARG 572 -8.157 -2.896 6.331 264 HH21 ARG 572 1HH2 ARG 572 -8.236 0.319 7.701 265 HH22 ARG 572 2HH2 ARG 572 -8.399 -1.373 8.024 266 H PHE 573 HN PHE 573 -4.883 2.828 0.522 267 HA PHE 573 HA PHE 573 -5.197 5.278 2.127 268 HB2 PHE 573 3HB PHE 573 -2.722 3.572 1.740 269 HB3 PHE 573 2HB PHE 573 -2.819 5.034 2.720 270 HD1 PHE 573 1HD PHE 573 -4.093 1.574 2.442 271 HD2 PHE 573 2HD PHE 573 -3.588 4.986 4.937 272 HE1 PHE 573 1HE PHE 573 -4.780 0.244 4.394 273 HE2 PHE 573 2HE PHE 573 -4.273 3.661 6.893 274 HZ PHE 573 HZ PHE 573 -4.870 1.287 6.623 275 HA PRO 574 HA PRO 574 -4.107 6.585 -2.192 276 HB2 PRO 574 3HB PRO 574 -5.921 8.635 -2.286 277 HB3 PRO 574 2HB PRO 574 -6.313 6.967 -2.708 278 HG2 PRO 574 3HG PRO 574 -6.759 8.433 -0.129 279 HG3 PRO 574 2HG PRO 574 -7.884 7.358 -1.040 280 HD2 PRO 574 3HD PRO 574 -6.509 6.523 1.148 281 HD3 PRO 574 2HD PRO 574 -6.891 5.451 -0.210 282 H GLN 575 HN GLN 575 -4.164 8.000 0.930 283 HA GLN 575 HA GLN 575 -2.515 10.252 -0.012 284 HB2 GLN 575 3HB GLN 575 -3.222 11.528 1.860 285 HB3 GLN 575 2HB GLN 575 -4.679 10.792 1.177 286 HG2 GLN 575 3HG GLN 575 -4.655 9.070 2.900 287 HG3 GLN 575 2HG GLN 575 -3.175 9.765 3.573 288 HE21 GLN 575 1HE2 GLN 575 -3.316 12.040 4.288 289 HE22 GLN 575 2HE2 GLN 575 -4.785 12.568 5.028 290 H LEU 576 HN LEU 576 -2.493 7.341 1.709 291 HA LEU 576 HA LEU 576 0.081 8.041 2.961 292 HB2 LEU 576 3HB LEU 576 -2.275 6.892 4.084 293 HB3 LEU 576 2HB LEU 576 -0.988 5.674 4.108 294 HG LEU 576 HG LEU 576 -0.944 8.395 5.405 295 HD11 LEU 576 1HD1 LEU 576 -2.207 6.775 6.657 296 HD12 LEU 576 2HD1 LEU 576 -0.660 7.045 7.460 297 HD13 LEU 576 3HD1 LEU 576 -0.913 5.587 6.500 298 HD21 LEU 576 3HD2 LEU 576 1.233 6.587 4.619 299 HD22 LEU 576 1HD2 LEU 576 1.278 7.127 6.297 300 HD23 LEU 576 2HD2 LEU 576 1.262 8.311 4.991 301 H LEU 577 HN LEU 577 1.682 7.238 1.776 302 HA LEU 577 HA LEU 577 1.432 4.476 0.787 303 HB2 LEU 577 3HB LEU 577 2.513 6.914 -0.605 304 HB3 LEU 577 2HB LEU 577 3.007 5.279 -1.075 305 HG LEU 577 HG LEU 577 1.292 6.016 -2.570 306 HD11 LEU 577 1HD1 LEU 577 -0.289 4.232 -0.799 307 HD12 LEU 577 2HD1 LEU 577 1.263 3.648 -1.398 308 HD13 LEU 577 3HD1 LEU 577 0.006 4.136 -2.535 309 HD21 LEU 577 3HD2 LEU 577 -0.739 6.266 -0.412 310 HD22 LEU 577 1HD2 LEU 577 -0.661 7.049 -1.990 311 HD23 LEU 577 2HD2 LEU 577 0.373 7.610 -0.676 312 H ASP 578 HN ASP 578 2.616 3.497 2.366 313 HA ASP 578 HA ASP 578 5.451 4.275 2.521 314 HB2 ASP 578 3HB ASP 578 3.476 3.992 4.683 315 HB3 ASP 578 2HB ASP 578 4.979 3.101 4.959 316 HD2 ASP 578 HD ASP 578 5.397 7.036 4.576 317 HA PRO 579 HA PRO 579 6.371 0.096 1.534 318 HB2 PRO 579 3HB PRO 579 8.808 -0.178 2.754 319 HB3 PRO 579 2HB PRO 579 8.553 0.773 1.292 320 HG2 PRO 579 3HG PRO 579 8.687 1.674 4.150 321 HG3 PRO 579 2HG PRO 579 9.470 2.389 2.691 322 HD2 PRO 579 3HD PRO 579 7.220 3.425 3.802 323 HD3 PRO 579 2HD PRO 579 7.532 3.465 2.058 324 H GLN 580 HN GLN 580 7.091 0.919 4.931 325 HA GLN 580 HA GLN 580 6.651 -1.793 5.795 326 HB2 GLN 580 3HB GLN 580 7.231 0.790 7.245 327 HB3 GLN 580 2HB GLN 580 6.902 -0.724 8.101 328 HG2 GLN 580 3HG GLN 580 8.946 -1.531 7.723 329 HG3 GLN 580 2HG GLN 580 8.930 -1.005 6.033 330 HE21 GLN 580 1HE2 GLN 580 8.767 1.634 6.104 331 HE22 GLN 580 2HE2 GLN 580 10.099 2.333 6.953 332 H GLN 581 HN GLN 581 5.014 1.324 6.328 333 HA GLN 581 HA GLN 581 2.920 0.514 7.900 334 HB2 GLN 581 3HB GLN 581 3.592 2.817 6.523 335 HB3 GLN 581 2HB GLN 581 2.046 2.344 5.799 336 HG2 GLN 581 3HG GLN 581 0.920 2.437 7.882 337 HG3 GLN 581 2HG GLN 581 2.447 2.570 8.766 338 HE21 GLN 581 1HE2 GLN 581 3.804 4.483 7.484 339 HE22 GLN 581 2HE2 GLN 581 2.955 5.986 7.534 340 H LEU 582 HN LEU 582 3.002 0.517 4.341 341 HA LEU 582 HA LEU 582 0.473 -0.459 3.831 342 HB2 LEU 582 3HB LEU 582 3.099 -0.667 2.420 343 HB3 LEU 582 2HB LEU 582 1.725 -1.620 1.830 344 HG LEU 582 HG LEU 582 1.646 1.374 2.160 345 HD11 LEU 582 1HD1 LEU 582 2.722 1.645 0.240 346 HD12 LEU 582 2HD1 LEU 582 1.691 0.462 -0.565 347 HD13 LEU 582 3HD1 LEU 582 3.141 -0.068 0.287 348 HD21 LEU 582 3HD2 LEU 582 -0.199 -0.707 1.091 349 HD22 LEU 582 1HD2 LEU 582 -0.194 0.894 0.351 350 HD23 LEU 582 2HD2 LEU 582 -0.550 0.718 2.070 351 H ALA 583 HN ALA 583 3.350 -2.199 4.842 352 HA ALA 583 HA ALA 583 2.529 -4.815 4.340 353 HB1 ALA 583 1HB ALA 583 4.147 -4.038 6.747 354 HB2 ALA 583 2HB ALA 583 4.244 -5.511 5.782 355 HB3 ALA 583 3HB ALA 583 4.809 -3.980 5.112 356 H ALA 584 HN ALA 584 2.191 -2.925 7.344 357 HA ALA 584 HA ALA 584 0.843 -4.793 8.873 358 HB1 ALA 584 1HB ALA 584 0.057 -1.919 9.048 359 HB2 ALA 584 2HB ALA 584 0.359 -3.084 10.338 360 HB3 ALA 584 3HB ALA 584 1.710 -2.395 9.438 361 H GLU 585 HN GLU 585 -0.435 -2.552 6.462 362 HA GLU 585 HA GLU 585 -3.173 -3.093 6.970 363 HB2 GLU 585 3HB GLU 585 -2.020 -2.177 4.335 364 HB3 GLU 585 2HB GLU 585 -3.635 -1.861 4.988 365 HG2 GLU 585 3HG GLU 585 -1.030 -0.748 6.030 366 HG3 GLU 585 2HG GLU 585 -2.273 0.127 5.123 367 HE2 GLU 585 HE GLU 585 -2.736 0.646 8.723 368 H ILE 586 HN ILE 586 -0.941 -4.252 4.450 369 HA ILE 586 HA ILE 586 -2.693 -5.938 3.106 370 HB ILE 586 HB ILE 586 0.272 -6.322 3.540 371 HG12 ILE 586 1HG1 ILE 586 -1.039 -5.231 1.065 372 HG13 ILE 586 2HG1 ILE 586 -0.684 -4.165 2.433 373 HG21 ILE 586 1HG2 ILE 586 -0.684 -8.390 2.805 374 HG22 ILE 586 2HG2 ILE 586 -1.622 -7.572 1.558 375 HG23 ILE 586 3HG2 ILE 586 0.136 -7.647 1.433 376 HD11 ILE 586 3HD1 ILE 586 1.128 -3.970 0.931 377 HD12 ILE 586 1HD1 ILE 586 1.700 -4.933 2.293 378 HD13 ILE 586 2HD1 ILE 586 1.275 -5.720 0.772 379 H LEU 587 HN LEU 587 -0.726 -6.548 5.977 380 HA LEU 587 HA LEU 587 -1.139 -9.303 6.195 381 HB2 LEU 587 3HB LEU 587 -0.419 -7.106 8.069 382 HB3 LEU 587 2HB LEU 587 -0.940 -8.649 8.766 383 HG LEU 587 HG LEU 587 1.287 -8.497 6.754 384 HD11 LEU 587 1HD1 LEU 587 2.436 -7.308 8.264 385 HD12 LEU 587 2HD1 LEU 587 2.528 -8.826 9.156 386 HD13 LEU 587 3HD1 LEU 587 1.281 -7.646 9.554 387 HD21 LEU 587 3HD2 LEU 587 1.602 -10.679 7.183 388 HD22 LEU 587 1HD2 LEU 587 -0.068 -10.625 7.750 389 HD23 LEU 587 2HD2 LEU 587 1.259 -10.497 8.904 390 H SER 588 HN SER 588 -3.163 -6.593 7.098 391 HA SER 588 HA SER 588 -5.035 -8.202 8.581 392 HB2 SER 588 1HB SER 588 -6.098 -6.232 9.131 393 HB3 SER 588 2HB SER 588 -4.481 -5.614 8.752 394 HG SER 588 HG SER 588 -5.281 -4.578 7.112 395 H TYR 589 HN TYR 589 -4.884 -6.739 5.368 396 HA TYR 589 HA TYR 589 -7.468 -7.251 4.499 397 HB2 TYR 589 3HB TYR 589 -6.001 -5.880 3.184 398 HB3 TYR 589 2HB TYR 589 -4.864 -7.212 2.966 399 HD1 TYR 589 1HD TYR 589 -8.566 -6.919 2.499 400 HD2 TYR 589 2HD TYR 589 -4.804 -7.900 0.769 401 HE1 TYR 589 1HE TYR 589 -9.700 -7.575 0.418 402 HE2 TYR 589 2HE TYR 589 -5.929 -8.558 -1.317 403 HH TYR 589 HH TYR 589 -9.334 -8.930 -1.531 404 H LYS 590 HN LYS 590 -4.615 -9.349 4.405 405 HA LYS 590 HA LYS 590 -5.833 -11.493 3.034 406 HB2 LYS 590 3HB LYS 590 -3.528 -11.569 4.996 407 HB3 LYS 590 2HB LYS 590 -3.939 -12.828 3.820 408 HG2 LYS 590 3HG LYS 590 -3.312 -10.028 2.936 409 HG3 LYS 590 2HG LYS 590 -2.031 -11.210 3.259 410 HD2 LYS 590 3HD LYS 590 -4.300 -12.027 1.499 411 HD3 LYS 590 2HD LYS 590 -3.069 -10.933 0.847 412 HE2 LYS 590 3HE LYS 590 -2.133 -12.954 0.289 413 HE3 LYS 590 2HE LYS 590 -1.416 -12.698 1.886 414 HZ1 LYS 590 3HZ LYS 590 -2.671 -14.928 1.196 415 HZ2 LYS 590 1HZ LYS 590 -3.976 -14.073 1.851 416 HZ3 LYS 590 2HZ LYS 590 -2.600 -14.368 2.791 417 H SER 591 HN SER 591 -5.199 -11.017 6.508 418 HA SER 591 HA SER 591 -6.391 -13.356 7.431 419 HB2 SER 591 1HB SER 591 -6.246 -12.451 9.575 420 HB3 SER 591 2HB SER 591 -5.017 -11.527 8.692 421 HG SER 591 HG SER 591 -7.588 -10.716 9.511 422 H GLN 592 HN GLN 592 -7.816 -10.402 6.303 423 HA GLN 592 HA GLN 592 -10.382 -10.759 7.482 424 HB2 GLN 592 3HB GLN 592 -9.231 -9.025 5.335 425 HB3 GLN 592 2HB GLN 592 -10.992 -9.173 5.455 426 HG2 GLN 592 3HG GLN 592 -10.569 -8.627 7.986 427 HG3 GLN 592 2HG GLN 592 -9.065 -7.940 7.357 428 HE21 GLN 592 1HE2 GLN 592 -12.430 -8.005 6.225 429 HE22 GLN 592 2HE2 GLN 592 -12.567 -6.298 6.001 430 H HIS 593 HN HIS 593 -8.846 -11.919 4.580 431 HA HIS 593 HA HIS 593 -11.288 -13.436 3.957 432 HB2 HIS 593 3HB HIS 593 -9.502 -11.918 2.054 433 HB3 HIS 593 2HB HIS 593 -10.572 -13.214 1.508 434 HD1 HIS 593 1HD HIS 593 -12.826 -12.492 0.803 435 HD2 HIS 593 2HD HIS 593 -11.109 -9.806 3.468 436 HE1 HIS 593 1HE HIS 593 -14.460 -10.588 0.986 437 HE2 HIS 593 2HE HIS 593 -13.411 -8.946 2.614 438 H LEU 594 HN LEU 594 -9.454 -14.582 5.518 439 HA LEU 594 HA LEU 594 -7.784 -16.237 3.753 440 HB2 LEU 594 3HB LEU 594 -6.738 -14.947 5.666 441 HB3 LEU 594 2HB LEU 594 -7.611 -16.044 6.751 442 HG LEU 594 HG LEU 594 -6.374 -17.924 5.478 443 HD11 LEU 594 1HD1 LEU 594 -5.199 -17.152 3.733 444 HD12 LEU 594 2HD1 LEU 594 -4.002 -16.710 4.950 445 HD13 LEU 594 3HD1 LEU 594 -5.149 -15.506 4.365 446 HD21 LEU 594 3HD2 LEU 594 -5.975 -17.334 7.813 447 HD22 LEU 594 1HD2 LEU 594 -4.879 -16.047 7.306 448 HD23 LEU 594 2HD2 LEU 594 -4.466 -17.732 6.989 449 H SER 595 HN SER 595 -8.470 -18.216 3.310 450 HA SER 595 HA SER 595 -10.621 -19.383 4.889 451 HB2 SER 595 1HB SER 595 -9.327 -20.430 2.354 452 HB3 SER 595 2HB SER 595 -10.847 -20.985 3.077 453 HG SER 595 HG SER 595 -11.240 -19.523 1.380 454 H GLU 596 HN GLU 596 -10.173 -20.671 6.537 455 HA GLU 596 HA GLU 596 -7.852 -22.467 6.337 456 HB2 GLU 596 3HB GLU 596 -7.439 -22.152 8.752 457 HB3 GLU 596 2HB GLU 596 -7.223 -20.660 7.824 458 HG2 GLU 596 3HG GLU 596 -9.155 -19.686 8.666 459 HG3 GLU 596 2HG GLU 596 -9.831 -21.244 9.161 460 HE2 GLU 596 HE GLU 596 -7.476 -19.324 11.658 Start of MODEL 10 1 H1 GLY 540 HN GLY 540 -8.874 10.344 -3.640 2 HA2 GLY 540 2HA GLY 540 -7.548 12.650 -2.414 3 HA3 GLY 540 3HA GLY 540 -6.750 11.263 -3.142 4 HA PRO 541 HA PRO 541 -8.211 14.128 -6.772 5 HB2 PRO 541 3HB PRO 541 -9.014 16.649 -6.066 6 HB3 PRO 541 2HB PRO 541 -10.114 15.279 -6.195 7 HG2 PRO 541 3HG PRO 541 -8.790 16.433 -3.763 8 HG3 PRO 541 2HG PRO 541 -10.504 15.923 -3.995 9 HD2 PRO 541 3HD PRO 541 -8.683 14.387 -2.691 10 HD3 PRO 541 2HD PRO 541 -9.991 13.700 -3.671 11 H HIS 542 HN HIS 542 -6.778 15.780 -3.975 12 HA HIS 542 HA HIS 542 -5.109 17.512 -5.452 13 HB2 HIS 542 3HB HIS 542 -5.066 16.499 -2.616 14 HB3 HIS 542 2HB HIS 542 -3.784 17.548 -3.230 15 HD1 HIS 542 1HD HIS 542 -6.303 18.068 -1.099 16 HD2 HIS 542 2HD HIS 542 -5.591 19.745 -4.833 17 HE1 HIS 542 1HE HIS 542 -7.565 20.243 -1.111 18 HE2 HIS 542 2HE HIS 542 -7.129 21.268 -3.393 19 H MET 543 HN MET 543 -3.064 17.304 -6.223 20 HA MET 543 HA MET 543 -1.482 14.958 -5.585 21 HB2 MET 543 3HB MET 543 -2.535 15.518 -8.361 22 HB3 MET 543 2HB MET 543 -1.152 14.458 -8.044 23 HG2 MET 543 3HG MET 543 -2.689 13.131 -6.515 24 HG3 MET 543 2HG MET 543 -4.010 14.064 -7.225 25 HE1 MET 543 3HE MET 543 -4.594 13.981 -9.934 26 HE2 MET 543 1HE MET 543 -4.897 12.285 -10.314 27 HE3 MET 543 2HE MET 543 -5.423 12.949 -8.767 28 H GLY 544 HN GLY 544 0.568 15.569 -5.363 29 HA2 GLY 544 2HA GLY 544 1.778 17.458 -7.187 30 HA3 GLY 544 3HA GLY 544 1.578 18.072 -5.551 31 H ASP 545 HN ASP 545 2.911 17.360 -3.932 32 HA ASP 545 HA ASP 545 5.428 16.313 -4.700 33 HB2 ASP 545 3HB ASP 545 4.247 16.596 -1.923 34 HB3 ASP 545 2HB ASP 545 5.958 16.357 -2.306 35 HD2 ASP 545 HD ASP 545 5.292 19.922 -1.891 36 H LEU 546 HN LEU 546 2.494 14.866 -3.565 37 HA LEU 546 HA LEU 546 3.392 12.485 -2.472 38 HB2 LEU 546 3HB LEU 546 0.922 13.383 -3.846 39 HB3 LEU 546 2HB LEU 546 1.174 11.634 -3.712 40 HG LEU 546 HG LEU 546 1.062 13.574 -1.402 41 HD11 LEU 546 1HD1 LEU 546 -1.008 11.980 -0.983 42 HD12 LEU 546 2HD1 LEU 546 -0.956 11.857 -2.742 43 HD13 LEU 546 3HD1 LEU 546 -1.138 13.433 -1.974 44 HD21 LEU 546 3HD2 LEU 546 2.506 11.771 -0.823 45 HD22 LEU 546 1HD2 LEU 546 1.407 10.584 -1.527 46 HD23 LEU 546 2HD2 LEU 546 0.945 11.455 -0.065 47 H ALA 547 HN ALA 547 3.321 13.514 -5.788 48 HA ALA 547 HA ALA 547 3.415 11.098 -7.145 49 HB1 ALA 547 1HB ALA 547 3.791 13.804 -7.777 50 HB2 ALA 547 2HB ALA 547 5.225 12.959 -8.362 51 HB3 ALA 547 3HB ALA 547 3.623 12.449 -8.892 52 H LYS 548 HN LYS 548 5.912 12.750 -5.333 53 HA LYS 548 HA LYS 548 8.035 11.047 -6.277 54 HB2 LYS 548 3HB LYS 548 8.368 13.419 -5.543 55 HB3 LYS 548 2HB LYS 548 8.031 12.897 -3.886 56 HG2 LYS 548 3HG LYS 548 10.040 11.864 -3.637 57 HG3 LYS 548 2HG LYS 548 10.148 11.439 -5.355 58 HD2 LYS 548 3HD LYS 548 10.718 13.719 -5.941 59 HD3 LYS 548 2HD LYS 548 10.484 14.231 -4.260 60 HE2 LYS 548 3HE LYS 548 12.339 12.813 -3.538 61 HE3 LYS 548 2HE LYS 548 12.548 12.241 -5.200 62 HZ1 LYS 548 3HZ LYS 548 12.633 15.125 -4.801 63 HZ2 LYS 548 1HZ LYS 548 13.546 14.148 -5.837 64 HZ3 LYS 548 2HZ LYS 548 13.943 14.242 -4.196 65 H GLU 549 HN GLU 549 5.739 11.038 -3.681 66 HA GLU 549 HA GLU 549 7.147 9.182 -2.017 67 HB2 GLU 549 3HB GLU 549 4.531 10.544 -2.007 68 HB3 GLU 549 2HB GLU 549 4.545 8.948 -1.242 69 HG2 GLU 549 3HG GLU 549 5.178 10.043 0.596 70 HG3 GLU 549 2HG GLU 549 6.773 10.071 -0.169 71 HE2 GLU 549 HE GLU 549 6.568 13.474 -0.821 72 H ARG 550 HN ARG 550 4.163 8.854 -3.948 73 HA ARG 550 HA ARG 550 3.961 6.074 -3.726 74 HB2 ARG 550 3HB ARG 550 2.227 7.769 -4.568 75 HB3 ARG 550 2HB ARG 550 3.033 7.618 -6.138 76 HG2 ARG 550 3HG ARG 550 2.536 5.257 -6.232 77 HG3 ARG 550 2HG ARG 550 1.841 5.318 -4.604 78 HD2 ARG 550 3HD ARG 550 -0.077 6.363 -5.296 79 HD3 ARG 550 2HD ARG 550 0.736 7.171 -6.642 80 HE ARG 550 HE ARG 550 0.800 4.578 -7.384 81 HH11 ARG 550 1HH1 ARG 550 -1.753 6.673 -6.282 82 HH12 ARG 550 2HH1 ARG 550 -2.987 5.862 -7.189 83 HH21 ARG 550 1HH2 ARG 550 -0.816 3.503 -8.583 84 HH22 ARG 550 2HH2 ARG 550 -2.453 4.058 -8.496 85 H ALA 551 HN ALA 551 5.967 8.053 -5.731 86 HA ALA 551 HA ALA 551 6.546 6.095 -7.721 87 HB1 ALA 551 1HB ALA 551 6.985 8.229 -8.464 88 HB2 ALA 551 2HB ALA 551 7.723 8.724 -6.940 89 HB3 ALA 551 3HB ALA 551 8.604 7.668 -8.043 90 H GLY 552 HN GLY 552 8.387 7.302 -4.910 91 HA2 GLY 552 2HA GLY 552 10.455 5.347 -5.215 92 HA3 GLY 552 3HA GLY 552 10.229 6.420 -3.842 93 H VAL 553 HN VAL 553 7.768 5.720 -2.909 94 HA VAL 553 HA VAL 553 8.264 3.518 -1.311 95 HB VAL 553 HB VAL 553 5.578 4.620 -2.149 96 HG11 VAL 553 1HG1 VAL 553 6.364 2.673 -0.001 97 HG12 VAL 553 2HG1 VAL 553 4.871 3.610 0.077 98 HG13 VAL 553 3HG1 VAL 553 5.142 2.488 -1.258 99 HG21 VAL 553 3HG2 VAL 553 6.471 5.213 0.539 100 HG22 VAL 553 1HG2 VAL 553 7.606 5.811 -0.671 101 HG23 VAL 553 2HG2 VAL 553 5.914 6.305 -0.729 102 H TYR 554 HN TYR 554 6.152 3.646 -4.182 103 HA TYR 554 HA TYR 554 5.385 0.999 -4.270 104 HB2 TYR 554 3HB TYR 554 4.428 2.694 -5.735 105 HB3 TYR 554 2HB TYR 554 5.964 2.853 -6.588 106 HD1 TYR 554 1HD TYR 554 3.023 0.717 -6.106 107 HD2 TYR 554 2HD TYR 554 6.705 1.191 -8.187 108 HE1 TYR 554 1HE TYR 554 2.352 -1.047 -7.684 109 HE2 TYR 554 2HE TYR 554 6.043 -0.570 -9.771 110 HH TYR 554 HH TYR 554 3.940 -2.762 -9.310 111 H THR 555 HN THR 555 8.332 2.483 -5.534 112 HA THR 555 HA THR 555 9.386 0.354 -6.953 113 HB THR 555 HB THR 555 10.999 2.268 -5.258 114 HG1 THR 555 1HG THR 555 9.732 2.558 -7.771 115 HG21 THR 555 3HG2 THR 555 12.097 0.219 -6.348 116 HG22 THR 555 1HG2 THR 555 12.815 1.798 -6.666 117 HG23 THR 555 2HG2 THR 555 11.791 1.035 -7.881 118 H LYS 556 HN LYS 556 9.687 1.071 -3.491 119 HA LYS 556 HA LYS 556 11.273 -1.264 -2.966 120 HB2 LYS 556 3HB LYS 556 10.139 0.981 -1.401 121 HB3 LYS 556 2HB LYS 556 10.387 -0.534 -0.518 122 HG2 LYS 556 3HG LYS 556 12.382 0.557 -0.157 123 HG3 LYS 556 2HG LYS 556 12.761 -0.462 -1.558 124 HD2 LYS 556 3HD LYS 556 12.390 1.417 -3.069 125 HD3 LYS 556 2HD LYS 556 11.942 2.441 -1.693 126 HE2 LYS 556 3HE LYS 556 14.161 3.031 -2.039 127 HE3 LYS 556 2HE LYS 556 14.277 1.806 -0.766 128 HZ1 LYS 556 3HZ LYS 556 14.934 0.175 -2.338 129 HZ2 LYS 556 1HZ LYS 556 15.891 1.540 -2.625 130 HZ3 LYS 556 2HZ LYS 556 14.593 1.187 -3.649 131 H LEU 557 HN LEU 557 7.876 -0.389 -2.709 132 HA LEU 557 HA LEU 557 6.940 -2.525 -1.196 133 HB2 LEU 557 3HB LEU 557 5.768 -0.687 -3.217 134 HB3 LEU 557 2HB LEU 557 4.855 -2.151 -2.813 135 HG LEU 557 HG LEU 557 5.763 -0.129 -0.770 136 HD11 LEU 557 1HD1 LEU 557 2.922 -0.367 -1.585 137 HD12 LEU 557 2HD1 LEU 557 4.011 0.516 -2.653 138 HD13 LEU 557 3HD1 LEU 557 3.817 1.026 -0.977 139 HD21 LEU 557 3HD2 LEU 557 5.339 -1.998 0.466 140 HD22 LEU 557 1HD2 LEU 557 4.201 -2.655 -0.711 141 HD23 LEU 557 2HD2 LEU 557 3.702 -1.346 0.361 142 H CYS 558 HN CYS 558 7.973 -2.402 -4.508 143 HA CYS 558 HA CYS 558 6.723 -4.791 -5.391 144 HB2 CYS 558 3HB CYS 558 9.025 -3.131 -6.372 145 HB3 CYS 558 2HB CYS 558 8.638 -4.678 -7.145 146 HG CYS 558 HG CYS 558 6.623 -1.920 -7.002 147 H GLY 559 HN GLY 559 9.481 -4.156 -3.443 148 HA2 GLY 559 2HA GLY 559 10.528 -6.869 -3.854 149 HA3 GLY 559 3HA GLY 559 11.365 -5.558 -3.036 150 H VAL 560 HN VAL 560 8.431 -5.248 -1.804 151 HA VAL 560 HA VAL 560 9.004 -7.082 0.427 152 HB VAL 560 HB VAL 560 7.283 -4.607 0.541 153 HG11 VAL 560 1HG1 VAL 560 6.853 -6.261 2.281 154 HG12 VAL 560 2HG1 VAL 560 8.568 -6.279 2.700 155 HG13 VAL 560 3HG1 VAL 560 7.611 -4.818 2.956 156 HG21 VAL 560 3HG2 VAL 560 9.157 -3.408 0.393 157 HG22 VAL 560 1HG2 VAL 560 9.615 -4.095 1.951 158 HG23 VAL 560 2HG2 VAL 560 10.169 -4.852 0.457 159 H PHE 561 HN PHE 561 6.661 -6.144 -1.941 160 HA PHE 561 HA PHE 561 5.041 -8.443 -1.309 161 HB2 PHE 561 3HB PHE 561 4.080 -5.637 -0.827 162 HB3 PHE 561 2HB PHE 561 2.939 -6.892 -1.312 163 HD1 PHE 561 2HD PHE 561 2.731 -8.970 0.104 164 HD2 PHE 561 1HD PHE 561 4.790 -5.481 1.407 165 HE1 PHE 561 2HE PHE 561 2.546 -9.736 2.435 166 HE2 PHE 561 1HE PHE 561 4.609 -6.240 3.740 167 HZ PHE 561 HZ PHE 561 3.485 -8.370 4.257 168 HA PRO 562 HA PRO 562 4.236 -8.392 -5.620 169 HB2 PRO 562 3HB PRO 562 1.702 -9.421 -5.755 170 HB3 PRO 562 2HB PRO 562 3.120 -10.381 -5.336 171 HG2 PRO 562 3HG PRO 562 1.096 -9.094 -3.535 172 HG3 PRO 562 2HG PRO 562 1.794 -10.756 -3.463 173 HD2 PRO 562 3HD PRO 562 2.632 -8.743 -1.846 174 HD3 PRO 562 2HD PRO 562 3.721 -10.007 -2.442 175 HA PRO 563 HA PRO 563 2.015 -4.836 -6.945 176 HB2 PRO 563 3HB PRO 563 1.001 -5.617 -9.367 177 HB3 PRO 563 2HB PRO 563 2.712 -5.302 -9.084 178 HG2 PRO 563 3HG PRO 563 1.236 -7.913 -9.096 179 HG3 PRO 563 2HG PRO 563 2.812 -7.490 -9.864 180 HD2 PRO 563 3HD PRO 563 2.641 -8.862 -7.528 181 HD3 PRO 563 2HD PRO 563 3.955 -7.725 -7.875 182 H HIS 564 HN HIS 564 0.124 -7.813 -7.463 183 HA HIS 564 HA HIS 564 -2.406 -6.676 -7.593 184 HB2 HIS 564 3HB HIS 564 -3.252 -8.810 -7.406 185 HB3 HIS 564 2HB HIS 564 -1.590 -9.155 -7.895 186 HD1 HIS 564 1HD HIS 564 -0.003 -10.195 -6.138 187 HD2 HIS 564 2HD HIS 564 -3.882 -9.585 -4.779 188 HE1 HIS 564 1HE HIS 564 -0.174 -11.488 -3.987 189 HE2 HIS 564 2HE HIS 564 -2.543 -11.116 -3.155 190 H LEU 565 HN LEU 565 -0.328 -7.156 -4.869 191 HA LEU 565 HA LEU 565 -2.425 -6.824 -2.908 192 HB2 LEU 565 3HB LEU 565 0.481 -7.366 -2.895 193 HB3 LEU 565 2HB LEU 565 -0.151 -6.468 -1.505 194 HG LEU 565 HG LEU 565 -1.061 -9.199 -2.412 195 HD11 LEU 565 1HD1 LEU 565 0.814 -9.806 -1.339 196 HD12 LEU 565 2HD1 LEU 565 -0.125 -9.472 0.115 197 HD13 LEU 565 3HD1 LEU 565 0.975 -8.251 -0.523 198 HD21 LEU 565 3HD2 LEU 565 -2.075 -7.281 -0.370 199 HD22 LEU 565 1HD2 LEU 565 -2.124 -9.008 -0.016 200 HD23 LEU 565 2HD2 LEU 565 -2.962 -8.375 -1.432 201 H VAL 566 HN VAL 566 0.525 -4.967 -3.683 202 HA VAL 566 HA VAL 566 -0.086 -2.695 -2.208 203 HB VAL 566 HB VAL 566 1.470 -2.850 -4.794 204 HG11 VAL 566 1HG1 VAL 566 1.285 -0.699 -2.695 205 HG12 VAL 566 2HG1 VAL 566 2.582 -0.784 -3.890 206 HG13 VAL 566 3HG1 VAL 566 0.911 -0.571 -4.414 207 HG21 VAL 566 3HG2 VAL 566 3.203 -3.671 -3.643 208 HG22 VAL 566 1HG2 VAL 566 2.948 -2.553 -2.303 209 HG23 VAL 566 2HG2 VAL 566 2.031 -4.057 -2.384 210 H GLU 567 HN GLU 567 -0.741 -3.342 -5.647 211 HA GLU 567 HA GLU 567 -1.932 -0.937 -6.321 212 HB2 GLU 567 3HB GLU 567 -2.406 -3.750 -7.298 213 HB3 GLU 567 2HB GLU 567 -3.254 -2.360 -7.995 214 HG2 GLU 567 3HG GLU 567 -1.039 -1.337 -8.507 215 HG3 GLU 567 2HG GLU 567 -0.287 -2.846 -7.972 216 HE2 GLU 567 HE GLU 567 -2.313 -4.212 -10.845 217 H ALA 568 HN ALA 568 -3.223 -3.624 -4.510 218 HA ALA 568 HA ALA 568 -5.940 -2.641 -4.596 219 HB1 ALA 568 1HB ALA 568 -4.939 -5.114 -4.277 220 HB2 ALA 568 2HB ALA 568 -5.204 -4.672 -2.590 221 HB3 ALA 568 3HB ALA 568 -6.546 -4.636 -3.732 222 H VAL 569 HN VAL 569 -3.590 -3.212 -1.967 223 HA VAL 569 HA VAL 569 -4.962 -1.961 0.078 224 HB VAL 569 HB VAL 569 -1.963 -1.888 -0.278 225 HG11 VAL 569 1HG1 VAL 569 -1.889 -1.797 2.140 226 HG12 VAL 569 2HG1 VAL 569 -2.868 -0.465 1.521 227 HG13 VAL 569 3HG1 VAL 569 -3.649 -1.883 2.223 228 HG21 VAL 569 3HG2 VAL 569 -1.975 -4.107 -0.159 229 HG22 VAL 569 1HG2 VAL 569 -2.713 -3.984 1.438 230 HG23 VAL 569 2HG2 VAL 569 -3.730 -4.127 0.005 231 H MET 570 HN MET 570 -2.752 -0.531 -2.296 232 HA MET 570 HA MET 570 -2.604 2.045 -1.262 233 HB2 MET 570 3HB MET 570 -2.419 0.929 -4.048 234 HB3 MET 570 2HB MET 570 -2.332 2.676 -3.771 235 HG2 MET 570 3HG MET 570 -0.491 2.039 -2.032 236 HG3 MET 570 2HG MET 570 -0.418 0.539 -2.963 237 HE1 MET 570 3HE MET 570 2.657 2.163 -3.629 238 HE2 MET 570 1HE MET 570 2.063 3.796 -3.330 239 HE3 MET 570 2HE MET 570 1.639 2.489 -2.225 240 H ARG 571 HN ARG 571 -5.192 0.448 -2.929 241 HA ARG 571 HA ARG 571 -6.620 2.740 -3.775 242 HB2 ARG 571 3HB ARG 571 -6.950 0.354 -4.558 243 HB3 ARG 571 2HB ARG 571 -7.823 0.073 -3.045 244 HG2 ARG 571 3HG ARG 571 -8.690 2.382 -4.696 245 HG3 ARG 571 2HG ARG 571 -9.053 0.756 -5.297 246 HD2 ARG 571 3HD ARG 571 -10.514 0.288 -3.604 247 HD3 ARG 571 2HD ARG 571 -9.639 1.297 -2.444 248 HE ARG 571 HE ARG 571 -10.994 3.047 -3.005 249 HH11 ARG 571 1HH1 ARG 571 -11.178 0.634 -5.508 250 HH12 ARG 571 2HH1 ARG 571 -12.450 1.436 -6.369 251 HH21 ARG 571 1HH2 ARG 571 -12.670 4.112 -4.129 252 HH22 ARG 571 2HH2 ARG 571 -13.297 3.414 -5.583 253 H ARG 572 HN ARG 572 -6.152 1.313 -0.705 254 HA ARG 572 HA ARG 572 -8.545 2.507 0.446 255 HB2 ARG 572 3HB ARG 572 -7.746 0.233 1.125 256 HB3 ARG 572 2HB ARG 572 -6.326 1.007 1.844 257 HG2 ARG 572 3HG ARG 572 -7.717 2.223 3.408 258 HG3 ARG 572 2HG ARG 572 -9.174 1.552 2.653 259 HD2 ARG 572 3HD ARG 572 -7.006 -0.083 3.990 260 HD3 ARG 572 2HD ARG 572 -8.539 0.386 4.739 261 HE ARG 572 HE ARG 572 -8.831 -1.032 2.247 262 HH11 ARG 572 1HH1 ARG 572 -8.516 -1.309 5.703 263 HH12 ARG 572 2HH1 ARG 572 -9.263 -2.870 5.777 264 HH21 ARG 572 1HH2 ARG 572 -9.817 -3.087 2.332 265 HH22 ARG 572 2HH2 ARG 572 -10.003 -3.880 3.859 266 H PHE 573 HN PHE 573 -5.074 2.984 0.356 267 HA PHE 573 HA PHE 573 -5.400 5.404 2.002 268 HB2 PHE 573 3HB PHE 573 -2.938 3.699 1.543 269 HB3 PHE 573 2HB PHE 573 -2.958 5.207 2.460 270 HD1 PHE 573 2HD PHE 573 -4.477 1.818 2.390 271 HD2 PHE 573 1HD PHE 573 -3.433 5.216 4.731 272 HE1 PHE 573 2HE PHE 573 -5.080 0.590 4.435 273 HE2 PHE 573 1HE PHE 573 -4.036 3.993 6.780 274 HZ PHE 573 HZ PHE 573 -4.862 1.678 6.634 275 HA PRO 574 HA PRO 574 -4.467 6.797 -2.326 276 HB2 PRO 574 3HB PRO 574 -6.326 8.807 -2.335 277 HB3 PRO 574 2HB PRO 574 -6.695 7.139 -2.769 278 HG2 PRO 574 3HG PRO 574 -7.091 8.558 -0.156 279 HG3 PRO 574 2HG PRO 574 -8.223 7.472 -1.047 280 HD2 PRO 574 3HD PRO 574 -6.765 6.636 1.085 281 HD3 PRO 574 2HD PRO 574 -7.166 5.575 -0.277 282 H GLN 575 HN GLN 575 -4.443 8.154 0.818 283 HA GLN 575 HA GLN 575 -2.891 10.467 -0.138 284 HB2 GLN 575 3HB GLN 575 -3.538 11.673 1.809 285 HB3 GLN 575 2HB GLN 575 -5.008 10.937 1.147 286 HG2 GLN 575 3HG GLN 575 -4.839 9.124 2.803 287 HG3 GLN 575 2HG GLN 575 -3.413 9.918 3.487 288 HE21 GLN 575 1HE2 GLN 575 -6.821 10.486 2.735 289 HE22 GLN 575 2HE2 GLN 575 -7.125 11.533 4.076 290 H LEU 576 HN LEU 576 -2.719 7.518 1.506 291 HA LEU 576 HA LEU 576 -0.077 8.239 2.595 292 HB2 LEU 576 3HB LEU 576 -2.359 7.133 3.920 293 HB3 LEU 576 2HB LEU 576 -1.052 5.937 3.915 294 HG LEU 576 HG LEU 576 -0.959 8.721 5.071 295 HD11 LEU 576 1HD1 LEU 576 -0.916 5.967 6.286 296 HD12 LEU 576 2HD1 LEU 576 -2.131 7.225 6.509 297 HD13 LEU 576 3HD1 LEU 576 -0.509 7.438 7.169 298 HD21 LEU 576 3HD2 LEU 576 1.171 6.930 4.196 299 HD22 LEU 576 1HD2 LEU 576 1.311 7.418 5.885 300 HD23 LEU 576 2HD2 LEU 576 1.228 8.642 4.618 301 H LEU 577 HN LEU 577 1.515 7.263 1.549 302 HA LEU 577 HA LEU 577 1.095 4.526 0.562 303 HB2 LEU 577 3HB LEU 577 2.352 6.845 -0.903 304 HB3 LEU 577 2HB LEU 577 2.559 5.155 -1.392 305 HG LEU 577 HG LEU 577 0.885 6.074 -2.792 306 HD11 LEU 577 1HD1 LEU 577 0.467 3.849 -1.339 307 HD12 LEU 577 2HD1 LEU 577 -0.635 4.424 -2.590 308 HD13 LEU 577 3HD1 LEU 577 -0.963 4.782 -0.895 309 HD21 LEU 577 3HD2 LEU 577 -1.093 6.793 -0.788 310 HD22 LEU 577 1HD2 LEU 577 -0.537 7.687 -2.204 311 HD23 LEU 577 2HD2 LEU 577 0.364 7.783 -0.691 312 H ASP 578 HN ASP 578 2.283 3.527 2.129 313 HA ASP 578 HA ASP 578 5.152 4.182 2.184 314 HB2 ASP 578 3HB ASP 578 3.232 3.950 4.423 315 HB3 ASP 578 2HB ASP 578 4.772 3.113 4.654 316 HD2 ASP 578 HD ASP 578 5.941 6.159 5.738 317 HA PRO 579 HA PRO 579 5.869 -0.052 1.270 318 HB2 PRO 579 3HB PRO 579 8.310 -0.420 2.456 319 HB3 PRO 579 2HB PRO 579 8.076 0.518 0.984 320 HG2 PRO 579 3HG PRO 579 8.297 1.460 3.822 321 HG3 PRO 579 2HG PRO 579 9.089 2.113 2.339 322 HD2 PRO 579 3HD PRO 579 6.907 3.272 3.464 323 HD3 PRO 579 2HD PRO 579 7.193 3.267 1.716 324 H GLN 580 HN GLN 580 6.738 0.765 4.636 325 HA GLN 580 HA GLN 580 6.129 -1.902 5.542 326 HB2 GLN 580 3HB GLN 580 7.001 0.635 6.913 327 HB3 GLN 580 2HB GLN 580 6.533 -0.804 7.832 328 HG2 GLN 580 3HG GLN 580 8.693 -1.349 7.711 329 HG3 GLN 580 2HG GLN 580 8.299 -1.860 6.063 330 HE21 GLN 580 1HE2 GLN 580 8.915 1.241 7.684 331 HE22 GLN 580 2HE2 GLN 580 10.075 1.804 6.535 332 H GLN 581 HN GLN 581 4.765 1.338 6.113 333 HA GLN 581 HA GLN 581 2.686 0.728 7.780 334 HB2 GLN 581 3HB GLN 581 3.462 2.939 6.329 335 HB3 GLN 581 2HB GLN 581 1.873 2.558 5.645 336 HG2 GLN 581 3HG GLN 581 0.813 2.737 7.777 337 HG3 GLN 581 2HG GLN 581 2.379 2.873 8.591 338 HE21 GLN 581 1HE2 GLN 581 3.720 4.680 7.132 339 HE22 GLN 581 2HE2 GLN 581 2.913 6.206 7.149 340 H LEU 582 HN LEU 582 2.531 0.716 4.218 341 HA LEU 582 HA LEU 582 -0.075 -0.181 3.937 342 HB2 LEU 582 3HB LEU 582 2.386 -0.503 2.242 343 HB3 LEU 582 2HB LEU 582 0.838 -1.218 1.759 344 HG LEU 582 HG LEU 582 1.366 1.722 2.188 345 HD11 LEU 582 1HD1 LEU 582 1.588 -0.050 -0.124 346 HD12 LEU 582 2HD1 LEU 582 2.256 1.560 0.143 347 HD13 LEU 582 3HD1 LEU 582 0.589 1.376 -0.405 348 HD21 LEU 582 3HD2 LEU 582 -1.019 1.154 0.739 349 HD22 LEU 582 1HD2 LEU 582 -0.830 2.013 2.268 350 HD23 LEU 582 2HD2 LEU 582 -1.054 0.263 2.261 351 H ALA 583 HN ALA 583 2.880 -2.010 4.509 352 HA ALA 583 HA ALA 583 2.006 -4.586 4.018 353 HB1 ALA 583 1HB ALA 583 3.782 -3.899 6.341 354 HB2 ALA 583 2HB ALA 583 3.805 -5.342 5.327 355 HB3 ALA 583 3HB ALA 583 4.334 -3.795 4.668 356 H ALA 584 HN ALA 584 1.795 -2.760 7.068 357 HA ALA 584 HA ALA 584 0.610 -4.673 8.666 358 HB1 ALA 584 1HB ALA 584 -0.011 -2.947 10.114 359 HB2 ALA 584 2HB ALA 584 1.404 -2.317 9.271 360 HB3 ALA 584 3HB ALA 584 -0.211 -1.790 8.798 361 H GLU 585 HN GLU 585 -0.824 -2.703 6.155 362 HA GLU 585 HA GLU 585 -3.535 -3.340 6.850 363 HB2 GLU 585 3HB GLU 585 -2.564 -2.335 4.176 364 HB3 GLU 585 2HB GLU 585 -4.162 -2.123 4.908 365 HG2 GLU 585 3HG GLU 585 -1.612 -0.908 5.968 366 HG3 GLU 585 2HG GLU 585 -2.785 -0.076 4.938 367 HE2 GLU 585 HE GLU 585 -5.147 -0.337 7.701 368 H ILE 586 HN ILE 586 -1.106 -4.627 4.676 369 HA ILE 586 HA ILE 586 -2.821 -6.304 3.170 370 HB ILE 586 HB ILE 586 0.132 -6.619 3.725 371 HG12 ILE 586 1HG1 ILE 586 -1.140 -5.522 1.224 372 HG13 ILE 586 2HG1 ILE 586 -0.747 -4.472 2.596 373 HG21 ILE 586 1HG2 ILE 586 0.042 -7.904 1.541 374 HG22 ILE 586 2HG2 ILE 586 -0.654 -8.703 2.950 375 HG23 ILE 586 3HG2 ILE 586 -1.708 -7.948 1.754 376 HD11 ILE 586 3HD1 ILE 586 1.489 -6.151 1.852 377 HD12 ILE 586 1HD1 ILE 586 0.937 -5.137 0.519 378 HD13 ILE 586 2HD1 ILE 586 1.403 -4.402 2.054 379 H LEU 587 HN LEU 587 -0.689 -6.978 5.942 380 HA LEU 587 HA LEU 587 -1.188 -9.678 6.235 381 HB2 LEU 587 3HB LEU 587 -0.489 -7.489 8.155 382 HB3 LEU 587 2HB LEU 587 -0.864 -9.109 8.768 383 HG LEU 587 HG LEU 587 1.199 -8.831 6.632 384 HD11 LEU 587 1HD1 LEU 587 2.369 -7.390 7.878 385 HD12 LEU 587 2HD1 LEU 587 2.674 -8.770 8.931 386 HD13 LEU 587 3HD1 LEU 587 1.361 -7.653 9.301 387 HD21 LEU 587 3HD2 LEU 587 1.436 -10.572 9.022 388 HD22 LEU 587 1HD2 LEU 587 1.895 -10.876 7.347 389 HD23 LEU 587 2HD2 LEU 587 0.201 -10.979 7.829 390 H SER 588 HN SER 588 -3.102 -6.935 7.340 391 HA SER 588 HA SER 588 -4.990 -8.585 8.756 392 HB2 SER 588 1HB SER 588 -4.350 -6.111 9.235 393 HB3 SER 588 2HB SER 588 -5.502 -5.735 7.942 394 HG SER 588 HG SER 588 -6.250 -7.442 10.051 395 H TYR 589 HN TYR 589 -4.751 -7.084 5.600 396 HA TYR 589 HA TYR 589 -7.442 -7.410 4.814 397 HB2 TYR 589 3HB TYR 589 -6.043 -5.891 3.595 398 HB3 TYR 589 2HB TYR 589 -4.893 -7.174 3.211 399 HD1 TYR 589 2HD TYR 589 -8.607 -6.854 2.870 400 HD2 TYR 589 1HD TYR 589 -4.894 -7.686 0.967 401 HE1 TYR 589 2HE TYR 589 -9.796 -7.320 0.769 402 HE2 TYR 589 1HE TYR 589 -6.072 -8.154 -1.141 403 HH TYR 589 HH TYR 589 -8.102 -7.800 -2.233 404 H LYS 590 HN LYS 590 -4.608 -9.493 4.568 405 HA LYS 590 HA LYS 590 -5.922 -11.503 3.012 406 HB2 LYS 590 3HB LYS 590 -3.390 -11.659 4.668 407 HB3 LYS 590 2HB LYS 590 -3.921 -12.858 3.479 408 HG2 LYS 590 3HG LYS 590 -3.422 -9.985 2.737 409 HG3 LYS 590 2HG LYS 590 -2.140 -11.210 2.741 410 HD2 LYS 590 3HD LYS 590 -4.681 -11.825 1.299 411 HD3 LYS 590 2HD LYS 590 -3.537 -10.691 0.560 412 HE2 LYS 590 3HE LYS 590 -1.876 -12.291 0.321 413 HE3 LYS 590 2HE LYS 590 -2.540 -13.301 1.612 414 HZ1 LYS 590 3HZ LYS 590 -4.007 -14.288 0.222 415 HZ2 LYS 590 1HZ LYS 590 -2.836 -13.891 -0.934 416 HZ3 LYS 590 2HZ LYS 590 -4.208 -12.917 -0.750 417 H SER 591 HN SER 591 -4.896 -11.322 6.420 418 HA SER 591 HA SER 591 -5.900 -13.767 7.265 419 HB2 SER 591 1HB SER 591 -4.444 -12.445 8.686 420 HB3 SER 591 2HB SER 591 -5.666 -11.166 8.796 421 HG SER 591 HG SER 591 -6.934 -12.459 10.034 422 H GLN 592 HN GLN 592 -7.542 -10.726 6.721 423 HA GLN 592 HA GLN 592 -9.946 -11.314 8.066 424 HB2 GLN 592 3HB GLN 592 -9.065 -9.366 6.000 425 HB3 GLN 592 2HB GLN 592 -10.807 -9.645 6.152 426 HG2 GLN 592 3HG GLN 592 -10.604 -9.145 8.595 427 HG3 GLN 592 2HG GLN 592 -8.927 -8.676 8.289 428 HE21 GLN 592 1HE2 GLN 592 -12.049 -8.091 6.697 429 HE22 GLN 592 2HE2 GLN 592 -11.867 -6.376 6.596 430 H HIS 593 HN HIS 593 -8.683 -12.307 4.999 431 HA HIS 593 HA HIS 593 -11.277 -13.503 4.290 432 HB2 HIS 593 3HB HIS 593 -8.896 -12.688 2.627 433 HB3 HIS 593 2HB HIS 593 -10.133 -13.784 2.002 434 HD1 HIS 593 1HD HIS 593 -11.095 -12.216 0.258 435 HD2 HIS 593 2HD HIS 593 -11.092 -10.597 4.084 436 HE1 HIS 593 1HE HIS 593 -12.476 -10.122 0.102 437 HE2 HIS 593 2HE HIS 593 -12.477 -9.130 2.440 438 H LEU 594 HN LEU 594 -9.658 -14.687 6.278 439 HA LEU 594 HA LEU 594 -8.513 -17.028 4.924 440 HB2 LEU 594 3HB LEU 594 -7.323 -15.562 6.765 441 HB3 LEU 594 2HB LEU 594 -8.276 -16.578 7.860 442 HG LEU 594 HG LEU 594 -7.211 -18.583 6.825 443 HD11 LEU 594 1HD1 LEU 594 -6.464 -17.973 4.730 444 HD12 LEU 594 2HD1 LEU 594 -4.970 -17.961 5.666 445 HD13 LEU 594 3HD1 LEU 594 -5.790 -16.444 5.297 446 HD21 LEU 594 3HD2 LEU 594 -6.417 -17.393 8.924 447 HD22 LEU 594 1HD2 LEU 594 -5.151 -16.688 7.920 448 HD23 LEU 594 2HD2 LEU 594 -5.248 -18.438 8.116 449 H SER 595 HN SER 595 -9.317 -19.046 5.215 450 HA SER 595 HA SER 595 -11.681 -19.303 6.957 451 HB2 SER 595 1HB SER 595 -12.525 -21.001 5.330 452 HB3 SER 595 2HB SER 595 -12.388 -19.373 4.642 453 HG SER 595 HG SER 595 -11.467 -21.358 3.478 454 H GLU 596 HN GLU 596 -9.186 -19.789 7.991 455 HA GLU 596 HA GLU 596 -7.952 -21.336 9.116 456 HB2 GLU 596 3HB GLU 596 -10.341 -23.153 8.749 457 HB3 GLU 596 2HB GLU 596 -9.111 -23.236 10.019 458 HG2 GLU 596 3HG GLU 596 -9.880 -21.013 10.839 459 HG3 GLU 596 2HG GLU 596 -11.197 -21.099 9.658 460 HE2 GLU 596 HE GLU 596 -12.492 -22.426 12.744 Start of MODEL 11 1 H1 GLY 540 HN GLY 540 -8.479 20.851 1.262 2 HA2 GLY 540 2HA GLY 540 -7.274 20.694 3.495 3 HA3 GLY 540 3HA GLY 540 -8.090 19.144 3.638 4 HA PRO 541 HA PRO 541 -4.882 17.081 1.487 5 HB2 PRO 541 3HB PRO 541 -6.196 15.412 -0.241 6 HB3 PRO 541 2HB PRO 541 -6.167 15.176 1.506 7 HG2 PRO 541 3HG PRO 541 -8.268 16.465 -0.204 8 HG3 PRO 541 2HG PRO 541 -8.460 15.272 1.135 9 HD2 PRO 541 3HD PRO 541 -8.910 17.929 1.464 10 HD3 PRO 541 2HD PRO 541 -8.250 16.903 2.750 11 H HIS 542 HN HIS 542 -3.503 17.608 -0.093 12 HA HIS 542 HA HIS 542 -4.590 18.685 -2.609 13 HB2 HIS 542 3HB HIS 542 -3.764 20.555 -1.315 14 HB3 HIS 542 2HB HIS 542 -2.233 19.724 -1.025 15 HD1 HIS 542 1HD HIS 542 -0.720 21.391 -2.183 16 HD2 HIS 542 2HD HIS 542 -3.778 19.997 -4.627 17 HE1 HIS 542 1HE HIS 542 -0.162 22.213 -4.493 18 HE2 HIS 542 2HE HIS 542 -2.031 21.361 -5.988 19 H MET 543 HN MET 543 -3.934 17.602 -4.342 20 HA MET 543 HA MET 543 -1.754 15.690 -4.086 21 HB2 MET 543 3HB MET 543 -3.727 16.179 -6.329 22 HB3 MET 543 2HB MET 543 -2.521 14.883 -6.301 23 HG2 MET 543 3HG MET 543 -3.593 13.753 -4.542 24 HG3 MET 543 2HG MET 543 -4.574 15.162 -4.137 25 HE1 MET 543 3HE MET 543 -6.543 16.059 -5.529 26 HE2 MET 543 1HE MET 543 -5.630 16.141 -7.036 27 HE3 MET 543 2HE MET 543 -7.186 15.312 -6.990 28 H GLY 544 HN GLY 544 0.223 15.972 -4.911 29 HA2 GLY 544 2HA GLY 544 0.919 17.223 -7.275 30 HA3 GLY 544 3HA GLY 544 0.965 18.478 -6.047 31 H ASP 545 HN ASP 545 1.803 16.604 -3.946 32 HA ASP 545 HA ASP 545 4.608 16.288 -4.787 33 HB2 ASP 545 3HB ASP 545 4.929 16.320 -2.173 34 HB3 ASP 545 2HB ASP 545 4.739 17.829 -3.074 35 HD2 ASP 545 HD ASP 545 1.915 16.775 -0.538 36 H LEU 546 HN LEU 546 1.872 14.755 -3.258 37 HA LEU 546 HA LEU 546 3.024 12.548 -2.073 38 HB2 LEU 546 3HB LEU 546 0.399 13.056 -3.402 39 HB3 LEU 546 2HB LEU 546 0.819 11.397 -2.941 40 HG LEU 546 HG LEU 546 -0.593 12.591 -1.280 41 HD11 LEU 546 1HD1 LEU 546 0.699 11.895 0.666 42 HD12 LEU 546 2HD1 LEU 546 2.156 11.805 -0.322 43 HD13 LEU 546 3HD1 LEU 546 0.814 10.703 -0.629 44 HD21 LEU 546 3HD2 LEU 546 1.852 14.190 -0.591 45 HD22 LEU 546 1HD2 LEU 546 0.192 14.407 -0.035 46 HD23 LEU 546 2HD2 LEU 546 0.623 14.805 -1.698 47 H ALA 547 HN ALA 547 2.544 13.225 -5.460 48 HA ALA 547 HA ALA 547 2.775 10.699 -6.576 49 HB1 ALA 547 1HB ALA 547 3.170 11.745 -8.591 50 HB2 ALA 547 2HB ALA 547 2.395 13.034 -7.669 51 HB3 ALA 547 3HB ALA 547 4.149 13.019 -7.861 52 H LYS 548 HN LYS 548 5.261 12.816 -5.285 53 HA LYS 548 HA LYS 548 7.485 11.361 -6.290 54 HB2 LYS 548 3HB LYS 548 7.502 13.748 -5.466 55 HB3 LYS 548 2HB LYS 548 7.430 13.098 -3.820 56 HG2 LYS 548 3HG LYS 548 9.572 12.070 -5.605 57 HG3 LYS 548 2HG LYS 548 9.720 13.728 -4.997 58 HD2 LYS 548 3HD LYS 548 9.122 12.599 -2.689 59 HD3 LYS 548 2HD LYS 548 9.741 11.150 -3.500 60 HE2 LYS 548 3HE LYS 548 11.863 12.235 -3.942 61 HE3 LYS 548 2HE LYS 548 11.245 13.755 -3.280 62 HZ1 LYS 548 3HZ LYS 548 11.021 11.537 -1.461 63 HZ2 LYS 548 1HZ LYS 548 11.634 13.092 -1.200 64 HZ3 LYS 548 2HZ LYS 548 12.619 11.899 -1.884 65 H GLU 549 HN GLU 549 5.461 11.058 -3.463 66 HA GLU 549 HA GLU 549 7.188 9.353 -1.982 67 HB2 GLU 549 3HB GLU 549 4.459 10.386 -1.754 68 HB3 GLU 549 2HB GLU 549 4.637 8.738 -1.133 69 HG2 GLU 549 3HG GLU 549 6.150 9.367 0.511 70 HG3 GLU 549 2HG GLU 549 6.556 10.878 -0.315 71 HE2 GLU 549 HE GLU 549 3.904 12.563 1.136 72 H ARG 550 HN ARG 550 4.154 8.613 -3.713 73 HA ARG 550 HA ARG 550 4.266 5.862 -3.553 74 HB2 ARG 550 3HB ARG 550 2.313 7.063 -4.380 75 HB3 ARG 550 2HB ARG 550 3.208 7.549 -5.827 76 HG2 ARG 550 3HG ARG 550 3.110 5.459 -6.780 77 HG3 ARG 550 2HG ARG 550 2.921 4.649 -5.216 78 HD2 ARG 550 3HD ARG 550 0.854 4.640 -6.620 79 HD3 ARG 550 2HD ARG 550 0.652 5.375 -5.025 80 HE ARG 550 HE ARG 550 1.287 7.287 -7.065 81 HH11 ARG 550 1HH1 ARG 550 -1.279 5.477 -5.563 82 HH12 ARG 550 2HH1 ARG 550 -2.513 6.610 -6.004 83 HH21 ARG 550 1HH2 ARG 550 -0.328 8.787 -7.652 84 HH22 ARG 550 2HH2 ARG 550 -1.971 8.492 -7.193 85 H ALA 551 HN ALA 551 5.881 8.012 -5.824 86 HA ALA 551 HA ALA 551 6.762 6.228 -7.734 87 HB1 ALA 551 1HB ALA 551 7.127 8.563 -8.037 88 HB2 ALA 551 2HB ALA 551 8.141 8.651 -6.595 89 HB3 ALA 551 3HB ALA 551 8.707 7.778 -8.020 90 H GLY 552 HN GLY 552 8.621 7.249 -4.855 91 HA2 GLY 552 2HA GLY 552 10.558 5.167 -5.211 92 HA3 GLY 552 3HA GLY 552 10.435 6.252 -3.834 93 H VAL 553 HN VAL 553 7.904 5.696 -2.908 94 HA VAL 553 HA VAL 553 8.282 3.515 -1.260 95 HB VAL 553 HB VAL 553 5.649 4.675 -2.187 96 HG11 VAL 553 1HG1 VAL 553 5.097 3.750 0.249 97 HG12 VAL 553 2HG1 VAL 553 4.899 2.767 -1.203 98 HG13 VAL 553 3HG1 VAL 553 6.341 2.584 -0.202 99 HG21 VAL 553 3HG2 VAL 553 5.927 6.347 -0.717 100 HG22 VAL 553 1HG2 VAL 553 6.629 5.283 0.503 101 HG23 VAL 553 2HG2 VAL 553 7.639 5.927 -0.792 102 H TYR 554 HN TYR 554 6.168 3.630 -4.134 103 HA TYR 554 HA TYR 554 5.374 0.990 -4.176 104 HB2 TYR 554 3HB TYR 554 4.410 2.660 -5.658 105 HB3 TYR 554 2HB TYR 554 5.941 2.818 -6.519 106 HD1 TYR 554 2HD TYR 554 3.085 0.566 -5.916 107 HD2 TYR 554 1HD TYR 554 6.604 1.261 -8.206 108 HE1 TYR 554 2HE TYR 554 2.412 -1.211 -7.479 109 HE2 TYR 554 1HE TYR 554 5.940 -0.513 -9.775 110 HH TYR 554 HH TYR 554 4.503 -2.183 -10.166 111 H THR 555 HN THR 555 8.322 2.425 -5.499 112 HA THR 555 HA THR 555 9.348 0.289 -6.911 113 HB THR 555 HB THR 555 11.024 2.116 -5.185 114 HG1 THR 555 1HG THR 555 10.268 2.615 -7.874 115 HG21 THR 555 3HG2 THR 555 12.600 0.755 -6.073 116 HG22 THR 555 1HG2 THR 555 12.380 1.776 -7.495 117 HG23 THR 555 2HG2 THR 555 11.552 0.223 -7.388 118 H LYS 556 HN LYS 556 9.586 0.941 -3.436 119 HA LYS 556 HA LYS 556 11.164 -1.401 -2.918 120 HB2 LYS 556 3HB LYS 556 9.978 0.806 -1.333 121 HB3 LYS 556 2HB LYS 556 10.221 -0.725 -0.479 122 HG2 LYS 556 3HG LYS 556 12.210 0.326 -0.047 123 HG3 LYS 556 2HG LYS 556 12.617 -0.587 -1.512 124 HD2 LYS 556 3HD LYS 556 12.280 1.370 -2.894 125 HD3 LYS 556 2HD LYS 556 11.723 2.295 -1.489 126 HE2 LYS 556 3HE LYS 556 14.412 1.018 -1.324 127 HE3 LYS 556 2HE LYS 556 14.225 2.432 -2.373 128 HZ1 LYS 556 3HZ LYS 556 14.102 2.252 0.527 129 HZ2 LYS 556 1HZ LYS 556 13.005 3.316 -0.198 130 HZ3 LYS 556 2HZ LYS 556 14.666 3.506 -0.457 131 H LEU 557 HN LEU 557 7.767 -0.581 -2.893 132 HA LEU 557 HA LEU 557 6.742 -2.673 -1.375 133 HB2 LEU 557 3HB LEU 557 5.727 -0.877 -3.491 134 HB3 LEU 557 2HB LEU 557 4.822 -2.381 -3.252 135 HG LEU 557 HG LEU 557 3.795 -0.605 -1.988 136 HD11 LEU 557 1HD1 LEU 557 4.741 -3.032 -0.883 137 HD12 LEU 557 2HD1 LEU 557 3.304 -2.111 -0.441 138 HD13 LEU 557 3HD1 LEU 557 4.836 -1.796 0.373 139 HD21 LEU 557 3HD2 LEU 557 5.557 0.944 -1.683 140 HD22 LEU 557 1HD2 LEU 557 6.546 -0.239 -0.825 141 HD23 LEU 557 2HD2 LEU 557 5.088 0.407 -0.069 142 H CYS 558 HN CYS 558 7.945 -2.634 -4.651 143 HA CYS 558 HA CYS 558 6.837 -5.090 -5.505 144 HB2 CYS 558 3HB CYS 558 9.318 -3.611 -6.392 145 HB3 CYS 558 2HB CYS 558 8.648 -5.019 -7.235 146 HG CYS 558 HG CYS 558 6.755 -2.222 -6.760 147 H GLY 559 HN GLY 559 9.355 -4.349 -3.326 148 HA2 GLY 559 2HA GLY 559 10.456 -7.075 -3.553 149 HA3 GLY 559 3HA GLY 559 11.288 -5.710 -2.826 150 H VAL 560 HN VAL 560 8.181 -5.469 -1.820 151 HA VAL 560 HA VAL 560 8.719 -7.048 0.612 152 HB VAL 560 HB VAL 560 7.038 -4.546 0.471 153 HG11 VAL 560 1HG1 VAL 560 7.274 -4.589 2.919 154 HG12 VAL 560 2HG1 VAL 560 6.470 -6.034 2.304 155 HG13 VAL 560 3HG1 VAL 560 8.163 -6.108 2.794 156 HG21 VAL 560 3HG2 VAL 560 9.919 -4.855 0.553 157 HG22 VAL 560 1HG2 VAL 560 8.946 -3.402 0.328 158 HG23 VAL 560 2HG2 VAL 560 9.309 -3.975 1.955 159 H PHE 561 HN PHE 561 6.456 -6.247 -1.888 160 HA PHE 561 HA PHE 561 4.800 -8.491 -1.166 161 HB2 PHE 561 3HB PHE 561 3.851 -5.655 -0.860 162 HB3 PHE 561 2HB PHE 561 2.711 -6.927 -1.306 163 HD1 PHE 561 2HD PHE 561 2.502 -8.954 0.209 164 HD2 PHE 561 1HD PHE 561 4.454 -5.359 1.383 165 HE1 PHE 561 2HE PHE 561 2.251 -9.594 2.571 166 HE2 PHE 561 1HE PHE 561 4.207 -5.994 3.748 167 HZ PHE 561 HZ PHE 561 3.104 -8.113 4.344 168 HA PRO 562 HA PRO 562 4.091 -8.671 -5.491 169 HB2 PRO 562 3HB PRO 562 1.546 -9.677 -5.630 170 HB3 PRO 562 2HB PRO 562 2.942 -10.627 -5.124 171 HG2 PRO 562 3HG PRO 562 0.894 -9.217 -3.447 172 HG3 PRO 562 2HG PRO 562 1.567 -10.881 -3.265 173 HD2 PRO 562 3HD PRO 562 2.395 -8.790 -1.743 174 HD3 PRO 562 2HD PRO 562 3.479 -10.099 -2.242 175 HA PRO 563 HA PRO 563 1.939 -5.180 -7.077 176 HB2 PRO 563 3HB PRO 563 0.934 -6.097 -9.454 177 HB3 PRO 563 2HB PRO 563 2.648 -5.795 -9.174 178 HG2 PRO 563 3HG PRO 563 1.125 -8.375 -9.032 179 HG3 PRO 563 2HG PRO 563 2.715 -8.031 -9.809 180 HD2 PRO 563 3HD PRO 563 2.498 -9.246 -7.391 181 HD3 PRO 563 2HD PRO 563 3.834 -8.157 -7.798 182 H HIS 564 HN HIS 564 -0.007 -8.146 -7.444 183 HA HIS 564 HA HIS 564 -2.509 -6.968 -7.662 184 HB2 HIS 564 3HB HIS 564 -3.401 -9.072 -7.366 185 HB3 HIS 564 2HB HIS 564 -1.742 -9.476 -7.817 186 HD1 HIS 564 1HD HIS 564 -0.180 -10.412 -5.967 187 HD2 HIS 564 2HD HIS 564 -4.085 -9.720 -4.726 188 HE1 HIS 564 1HE HIS 564 -0.402 -11.589 -3.756 189 HE2 HIS 564 2HE HIS 564 -2.788 -11.168 -2.997 190 H LEU 565 HN LEU 565 -0.469 -7.337 -4.893 191 HA LEU 565 HA LEU 565 -2.582 -6.843 -2.981 192 HB2 LEU 565 3HB LEU 565 0.306 -7.476 -2.895 193 HB3 LEU 565 2HB LEU 565 -0.317 -6.485 -1.564 194 HG LEU 565 HG LEU 565 -1.305 -9.229 -2.343 195 HD11 LEU 565 1HD1 LEU 565 0.499 -9.879 -1.196 196 HD12 LEU 565 2HD1 LEU 565 -0.396 -9.352 0.228 197 HD13 LEU 565 3HD1 LEU 565 0.773 -8.270 -0.527 198 HD21 LEU 565 3HD2 LEU 565 -2.278 -7.175 -0.418 199 HD22 LEU 565 1HD2 LEU 565 -2.382 -8.878 0.031 200 HD23 LEU 565 2HD2 LEU 565 -3.188 -8.300 -1.427 201 H VAL 566 HN VAL 566 0.442 -5.127 -3.795 202 HA VAL 566 HA VAL 566 -0.075 -2.767 -2.455 203 HB VAL 566 HB VAL 566 1.403 -3.069 -5.073 204 HG11 VAL 566 1HG1 VAL 566 1.358 -0.864 -3.025 205 HG12 VAL 566 2HG1 VAL 566 2.625 -1.031 -4.241 206 HG13 VAL 566 3HG1 VAL 566 0.954 -0.762 -4.738 207 HG21 VAL 566 3HG2 VAL 566 1.989 -4.246 -2.657 208 HG22 VAL 566 1HG2 VAL 566 3.139 -3.926 -3.956 209 HG23 VAL 566 2HG2 VAL 566 2.965 -2.777 -2.630 210 H GLU 567 HN GLU 567 -0.742 -3.473 -5.886 211 HA GLU 567 HA GLU 567 -1.920 -1.080 -6.597 212 HB2 GLU 567 3HB GLU 567 -2.437 -3.904 -7.518 213 HB3 GLU 567 2HB GLU 567 -3.263 -2.517 -8.240 214 HG2 GLU 567 3HG GLU 567 -0.888 -1.564 -8.597 215 HG3 GLU 567 2HG GLU 567 -0.363 -3.233 -8.334 216 HE2 GLU 567 HE GLU 567 -1.391 -2.409 -11.880 217 H ALA 568 HN ALA 568 -3.224 -3.694 -4.701 218 HA ALA 568 HA ALA 568 -5.939 -2.709 -4.818 219 HB1 ALA 568 1HB ALA 568 -6.046 -4.962 -4.551 220 HB2 ALA 568 2HB ALA 568 -4.566 -5.033 -3.593 221 HB3 ALA 568 3HB ALA 568 -6.073 -4.492 -2.850 222 H VAL 569 HN VAL 569 -3.580 -3.168 -2.176 223 HA VAL 569 HA VAL 569 -4.946 -1.828 -0.182 224 HB VAL 569 HB VAL 569 -1.947 -1.786 -0.545 225 HG11 VAL 569 1HG1 VAL 569 -3.737 -1.467 1.856 226 HG12 VAL 569 2HG1 VAL 569 -2.001 -1.764 1.966 227 HG13 VAL 569 3HG1 VAL 569 -2.599 -0.296 1.191 228 HG21 VAL 569 3HG2 VAL 569 -2.061 -4.013 -0.436 229 HG22 VAL 569 1HG2 VAL 569 -2.565 -3.800 1.241 230 HG23 VAL 569 2HG2 VAL 569 -3.776 -3.985 -0.028 231 H MET 570 HN MET 570 -2.829 -0.520 -2.689 232 HA MET 570 HA MET 570 -2.591 2.094 -1.764 233 HB2 MET 570 3HB MET 570 -2.552 0.857 -4.503 234 HB3 MET 570 2HB MET 570 -2.449 2.615 -4.314 235 HG2 MET 570 3HG MET 570 -0.538 1.973 -2.596 236 HG3 MET 570 2HG MET 570 -0.484 0.514 -3.589 237 HE1 MET 570 3HE MET 570 1.818 3.839 -3.760 238 HE2 MET 570 1HE MET 570 1.649 2.297 -2.918 239 HE3 MET 570 2HE MET 570 2.566 2.384 -4.422 240 H ARG 571 HN ARG 571 -5.279 0.466 -3.231 241 HA ARG 571 HA ARG 571 -6.712 2.800 -4.025 242 HB2 ARG 571 3HB ARG 571 -6.992 0.313 -4.771 243 HB3 ARG 571 2HB ARG 571 -8.052 0.203 -3.358 244 HG2 ARG 571 3HG ARG 571 -8.499 2.433 -5.285 245 HG3 ARG 571 2HG ARG 571 -9.000 0.795 -5.738 246 HD2 ARG 571 3HD ARG 571 -10.028 0.857 -3.267 247 HD3 ARG 571 2HD ARG 571 -10.059 2.588 -3.629 248 HE ARG 571 HE ARG 571 -11.156 1.158 -5.794 249 HH11 ARG 571 1HH1 ARG 571 -11.866 2.064 -2.508 250 HH12 ARG 571 2HH1 ARG 571 -13.583 2.043 -2.735 251 HH21 ARG 571 1HH2 ARG 571 -13.416 1.126 -6.104 252 HH22 ARG 571 2HH2 ARG 571 -14.464 1.509 -4.781 253 H ARG 572 HN ARG 572 -6.224 1.189 -1.034 254 HA ARG 572 HA ARG 572 -8.588 2.326 0.213 255 HB2 ARG 572 3HB ARG 572 -7.755 0.039 0.782 256 HB3 ARG 572 2HB ARG 572 -6.324 0.794 1.496 257 HG2 ARG 572 3HG ARG 572 -7.699 1.947 3.135 258 HG3 ARG 572 2HG ARG 572 -9.158 1.258 2.400 259 HD2 ARG 572 3HD ARG 572 -8.707 -0.888 3.163 260 HD3 ARG 572 2HD ARG 572 -6.979 -0.557 3.339 261 HE ARG 572 HE ARG 572 -8.086 1.087 5.170 262 HH11 ARG 572 1HH1 ARG 572 -8.448 -2.310 4.498 263 HH12 ARG 572 2HH1 ARG 572 -8.790 -2.732 6.143 264 HH21 ARG 572 1HH2 ARG 572 -8.536 0.544 7.339 265 HH22 ARG 572 2HH2 ARG 572 -8.841 -1.108 7.758 266 H PHE 573 HN PHE 573 -5.082 2.742 0.263 267 HA PHE 573 HA PHE 573 -5.456 5.186 1.865 268 HB2 PHE 573 3HB PHE 573 -2.996 3.435 1.599 269 HB3 PHE 573 2HB PHE 573 -3.090 4.923 2.543 270 HD1 PHE 573 2HD PHE 573 -4.467 1.498 2.289 271 HD2 PHE 573 1HD PHE 573 -3.916 4.937 4.735 272 HE1 PHE 573 2HE PHE 573 -5.258 0.230 4.242 273 HE2 PHE 573 1HE PHE 573 -4.706 3.675 6.694 274 HZ PHE 573 HZ PHE 573 -5.380 1.319 6.448 275 HA PRO 574 HA PRO 574 -4.140 6.480 -2.400 276 HB2 PRO 574 3HB PRO 574 -5.966 8.510 -2.614 277 HB3 PRO 574 2HB PRO 574 -6.315 6.837 -3.049 278 HG2 PRO 574 3HG PRO 574 -6.928 8.308 -0.509 279 HG3 PRO 574 2HG PRO 574 -7.988 7.218 -1.479 280 HD2 PRO 574 3HD PRO 574 -6.739 6.408 0.791 281 HD3 PRO 574 2HD PRO 574 -7.027 5.325 -0.583 282 H GLN 575 HN GLN 575 -4.315 7.846 0.717 283 HA GLN 575 HA GLN 575 -2.709 10.162 -0.138 284 HB2 GLN 575 3HB GLN 575 -3.486 11.376 1.743 285 HB3 GLN 575 2HB GLN 575 -4.911 10.609 1.026 286 HG2 GLN 575 3HG GLN 575 -4.816 8.834 2.715 287 HG3 GLN 575 2HG GLN 575 -3.410 9.623 3.441 288 HE21 GLN 575 1HE2 GLN 575 -6.841 9.761 2.961 289 HE22 GLN 575 2HE2 GLN 575 -7.163 10.996 4.127 290 H LEU 576 HN LEU 576 -2.642 7.210 1.509 291 HA LEU 576 HA LEU 576 -0.088 7.933 2.788 292 HB2 LEU 576 3HB LEU 576 -2.443 6.779 3.917 293 HB3 LEU 576 2HB LEU 576 -1.140 5.579 3.965 294 HG LEU 576 HG LEU 576 -1.143 8.318 5.224 295 HD11 LEU 576 1HD1 LEU 576 -1.063 5.528 6.360 296 HD12 LEU 576 2HD1 LEU 576 -2.383 6.690 6.489 297 HD13 LEU 576 3HD1 LEU 576 -0.848 7.006 7.298 298 HD21 LEU 576 3HD2 LEU 576 1.066 6.540 4.463 299 HD22 LEU 576 1HD2 LEU 576 1.098 7.091 6.138 300 HD23 LEU 576 2HD2 LEU 576 1.068 8.266 4.824 301 H LEU 577 HN LEU 577 1.523 7.110 1.631 302 HA LEU 577 HA LEU 577 1.285 4.333 0.689 303 HB2 LEU 577 3HB LEU 577 2.367 6.730 -0.787 304 HB3 LEU 577 2HB LEU 577 2.756 5.061 -1.247 305 HG LEU 577 HG LEU 577 1.024 5.814 -2.690 306 HD11 LEU 577 1HD1 LEU 577 0.844 3.539 -1.276 307 HD12 LEU 577 2HD1 LEU 577 -0.309 4.002 -2.528 308 HD13 LEU 577 3HD1 LEU 577 -0.688 4.292 -0.830 309 HD21 LEU 577 3HD2 LEU 577 -0.945 6.316 -0.542 310 HD22 LEU 577 1HD2 LEU 577 -0.750 7.095 -2.113 311 HD23 LEU 577 2HD2 LEU 577 0.307 7.538 -0.773 312 H ASP 578 HN ASP 578 2.518 3.422 2.274 313 HA ASP 578 HA ASP 578 5.343 4.246 2.342 314 HB2 ASP 578 3HB ASP 578 3.423 3.937 4.567 315 HB3 ASP 578 2HB ASP 578 4.998 3.174 4.821 316 HD2 ASP 578 HD ASP 578 6.163 6.237 5.795 317 HA PRO 579 HA PRO 579 6.310 0.053 1.468 318 HB2 PRO 579 3HB PRO 579 8.771 -0.151 2.652 319 HB3 PRO 579 2HB PRO 579 8.477 0.752 1.167 320 HG2 PRO 579 3HG PRO 579 8.646 1.741 3.994 321 HG3 PRO 579 2HG PRO 579 9.394 2.422 2.501 322 HD2 PRO 579 3HD PRO 579 7.149 3.459 3.621 323 HD3 PRO 579 2HD PRO 579 7.430 3.451 1.870 324 H GLN 580 HN GLN 580 7.031 1.005 4.828 325 HA GLN 580 HA GLN 580 6.681 -1.688 5.787 326 HB2 GLN 580 3HB GLN 580 7.237 0.963 7.102 327 HB3 GLN 580 2HB GLN 580 6.869 -0.482 8.059 328 HG2 GLN 580 3HG GLN 580 8.891 -1.380 7.740 329 HG3 GLN 580 2HG GLN 580 8.935 -0.898 6.037 330 HE21 GLN 580 1HE2 GLN 580 8.822 1.746 6.038 331 HE22 GLN 580 2HE2 GLN 580 10.145 2.441 6.904 332 H GLN 581 HN GLN 581 4.947 1.392 6.209 333 HA GLN 581 HA GLN 581 2.883 0.561 7.820 334 HB2 GLN 581 3HB GLN 581 3.487 2.846 6.369 335 HB3 GLN 581 2HB GLN 581 1.938 2.316 5.693 336 HG2 GLN 581 3HG GLN 581 0.853 2.442 7.793 337 HG3 GLN 581 2HG GLN 581 2.394 2.629 8.644 338 HE21 GLN 581 1HE2 GLN 581 3.685 4.537 7.292 339 HE22 GLN 581 2HE2 GLN 581 2.805 6.023 7.320 340 H LEU 582 HN LEU 582 2.960 0.486 4.261 341 HA LEU 582 HA LEU 582 0.457 -0.576 3.785 342 HB2 LEU 582 3HB LEU 582 3.082 -0.743 2.358 343 HB3 LEU 582 2HB LEU 582 1.719 -1.725 1.791 344 HG LEU 582 HG LEU 582 1.745 1.286 2.008 345 HD11 LEU 582 1HD1 LEU 582 2.050 1.387 -0.285 346 HD12 LEU 582 2HD1 LEU 582 1.576 -0.293 -0.527 347 HD13 LEU 582 3HD1 LEU 582 3.140 0.087 0.194 348 HD21 LEU 582 3HD2 LEU 582 -0.419 -0.505 1.989 349 HD22 LEU 582 1HD2 LEU 582 -0.327 0.178 0.365 350 HD23 LEU 582 2HD2 LEU 582 -0.461 1.244 1.765 351 H ALA 583 HN ALA 583 3.362 -2.177 4.892 352 HA ALA 583 HA ALA 583 2.621 -4.840 4.418 353 HB1 ALA 583 1HB ALA 583 4.265 -3.950 6.771 354 HB2 ALA 583 2HB ALA 583 4.375 -5.457 5.859 355 HB3 ALA 583 3HB ALA 583 4.893 -3.940 5.122 356 H ALA 584 HN ALA 584 2.137 -2.781 7.275 357 HA ALA 584 HA ALA 584 0.895 -4.697 8.898 358 HB1 ALA 584 1HB ALA 584 -0.254 -2.372 9.719 359 HB2 ALA 584 2HB ALA 584 1.340 -2.939 10.217 360 HB3 ALA 584 3HB ALA 584 1.189 -1.782 8.895 361 H GLU 585 HN GLU 585 -0.404 -2.537 6.436 362 HA GLU 585 HA GLU 585 -3.141 -3.050 6.996 363 HB2 GLU 585 3HB GLU 585 -1.856 -2.109 4.419 364 HB3 GLU 585 2HB GLU 585 -3.577 -2.001 4.825 365 HG2 GLU 585 3HG GLU 585 -3.292 -0.252 6.254 366 HG3 GLU 585 2HG GLU 585 -1.646 -0.737 6.684 367 HE2 GLU 585 HE GLU 585 -0.862 1.991 4.674 368 H ILE 586 HN ILE 586 -0.930 -4.290 4.497 369 HA ILE 586 HA ILE 586 -2.709 -6.017 3.229 370 HB ILE 586 HB ILE 586 0.266 -6.375 3.602 371 HG12 ILE 586 1HG1 ILE 586 -1.086 -5.353 1.125 372 HG13 ILE 586 2HG1 ILE 586 -0.741 -4.247 2.464 373 HG21 ILE 586 1HG2 ILE 586 -1.649 -7.655 1.659 374 HG22 ILE 586 2HG2 ILE 586 0.108 -7.762 1.556 375 HG23 ILE 586 3HG2 ILE 586 -0.738 -8.459 2.937 376 HD11 ILE 586 3HD1 ILE 586 1.655 -4.990 2.328 377 HD12 ILE 586 1HD1 ILE 586 1.230 -5.807 0.824 378 HD13 ILE 586 2HD1 ILE 586 1.061 -4.056 0.957 379 H LEU 587 HN LEU 587 -0.593 -6.584 6.014 380 HA LEU 587 HA LEU 587 -1.006 -9.314 6.332 381 HB2 LEU 587 3HB LEU 587 -0.200 -7.066 8.087 382 HB3 LEU 587 2HB LEU 587 -0.772 -8.537 8.893 383 HG LEU 587 HG LEU 587 1.447 -8.557 6.859 384 HD11 LEU 587 1HD1 LEU 587 2.661 -7.433 8.359 385 HD12 LEU 587 2HD1 LEU 587 2.638 -8.930 9.291 386 HD13 LEU 587 3HD1 LEU 587 1.466 -7.658 9.636 387 HD21 LEU 587 3HD2 LEU 587 -0.010 -10.613 7.839 388 HD22 LEU 587 1HD2 LEU 587 1.287 -10.532 9.033 389 HD23 LEU 587 2HD2 LEU 587 1.673 -10.748 7.325 390 H SER 588 HN SER 588 -2.916 -6.585 7.526 391 HA SER 588 HA SER 588 -4.792 -8.273 8.904 392 HB2 SER 588 1HB SER 588 -4.648 -6.187 9.916 393 HB3 SER 588 2HB SER 588 -4.570 -5.333 8.363 394 HG SER 588 HG SER 588 -6.649 -5.129 8.441 395 H TYR 589 HN TYR 589 -4.506 -6.861 5.741 396 HA TYR 589 HA TYR 589 -7.239 -7.125 4.986 397 HB2 TYR 589 3HB TYR 589 -5.855 -5.570 3.790 398 HB3 TYR 589 2HB TYR 589 -4.706 -6.841 3.365 399 HD1 TYR 589 1HD TYR 589 -8.345 -6.091 2.943 400 HD2 TYR 589 2HD TYR 589 -4.811 -7.740 1.244 401 HE1 TYR 589 1HE TYR 589 -9.559 -6.512 0.845 402 HE2 TYR 589 2HE TYR 589 -6.013 -8.165 -0.860 403 HH TYR 589 HH TYR 589 -8.573 -6.792 -1.825 404 H LYS 590 HN LYS 590 -4.458 -9.238 4.918 405 HA LYS 590 HA LYS 590 -5.547 -11.189 3.160 406 HB2 LYS 590 3HB LYS 590 -3.081 -10.769 4.002 407 HB3 LYS 590 2HB LYS 590 -3.555 -11.915 5.267 408 HG2 LYS 590 3HG LYS 590 -2.485 -13.165 3.557 409 HG3 LYS 590 2HG LYS 590 -4.222 -13.510 3.458 410 HD2 LYS 590 3HD LYS 590 -4.489 -12.381 1.477 411 HD3 LYS 590 2HD LYS 590 -3.137 -11.282 1.807 412 HE2 LYS 590 3HE LYS 590 -2.580 -12.815 -0.014 413 HE3 LYS 590 2HE LYS 590 -1.550 -13.095 1.395 414 HZ1 LYS 590 3HZ LYS 590 -2.466 -15.134 0.293 415 HZ2 LYS 590 1HZ LYS 590 -3.993 -14.684 0.867 416 HZ3 LYS 590 2HZ LYS 590 -2.748 -15.028 1.958 417 H SER 591 HN SER 591 -5.147 -11.164 6.705 418 HA SER 591 HA SER 591 -6.493 -13.549 7.224 419 HB2 SER 591 1HB SER 591 -5.100 -12.301 8.873 420 HB3 SER 591 2HB SER 591 -6.399 -11.105 9.008 421 HG SER 591 HG SER 591 -6.316 -12.943 10.588 422 H GLN 592 HN GLN 592 -7.706 -10.372 6.506 423 HA GLN 592 HA GLN 592 -10.357 -10.792 7.463 424 HB2 GLN 592 3HB GLN 592 -8.966 -8.751 5.796 425 HB3 GLN 592 2HB GLN 592 -10.731 -8.841 5.684 426 HG2 GLN 592 3HG GLN 592 -10.682 -8.747 8.266 427 HG3 GLN 592 2HG GLN 592 -9.032 -8.150 8.042 428 HE21 GLN 592 1HE2 GLN 592 -12.176 -7.591 6.486 429 HE22 GLN 592 2HE2 GLN 592 -12.091 -5.867 6.547 430 H HIS 593 HN HIS 593 -8.807 -11.071 4.292 431 HA HIS 593 HA HIS 593 -11.288 -12.111 3.149 432 HB2 HIS 593 3HB HIS 593 -8.651 -11.275 1.934 433 HB3 HIS 593 2HB HIS 593 -9.918 -12.078 1.000 434 HD1 HIS 593 1HD HIS 593 -10.563 -10.155 -0.500 435 HD2 HIS 593 2HD HIS 593 -10.697 -9.172 3.534 436 HE1 HIS 593 1HE HIS 593 -11.666 -7.897 -0.394 437 HE2 HIS 593 2HE HIS 593 -11.749 -7.297 2.072 438 H LEU 594 HN LEU 594 -9.866 -13.670 5.111 439 HA LEU 594 HA LEU 594 -8.371 -15.720 3.799 440 HB2 LEU 594 3HB LEU 594 -8.276 -15.011 6.261 441 HB3 LEU 594 2HB LEU 594 -9.744 -15.986 6.458 442 HG LEU 594 HG LEU 594 -8.496 -17.977 5.700 443 HD11 LEU 594 1HD1 LEU 594 -5.855 -17.354 6.008 444 HD12 LEU 594 2HD1 LEU 594 -6.470 -15.949 5.138 445 HD13 LEU 594 3HD1 LEU 594 -6.680 -17.565 4.463 446 HD21 LEU 594 3HD2 LEU 594 -8.697 -17.575 8.066 447 HD22 LEU 594 1HD2 LEU 594 -7.322 -16.471 8.034 448 HD23 LEU 594 2HD2 LEU 594 -7.080 -18.190 7.722 449 H SER 595 HN SER 595 -9.009 -17.687 3.060 450 HA SER 595 HA SER 595 -11.646 -18.038 2.180 451 HB2 SER 595 1HB SER 595 -9.788 -19.129 1.054 452 HB3 SER 595 2HB SER 595 -9.426 -20.070 2.511 453 HG SER 595 HG SER 595 -11.763 -20.240 0.910 454 H GLU 596 HN GLU 596 -13.327 -18.243 3.512 455 HA GLU 596 HA GLU 596 -13.290 -19.145 6.136 456 HB2 GLU 596 3HB GLU 596 -15.698 -19.291 6.001 457 HB3 GLU 596 2HB GLU 596 -15.145 -17.868 5.103 458 HG2 GLU 596 3HG GLU 596 -15.196 -19.554 3.069 459 HG3 GLU 596 2HG GLU 596 -16.367 -20.380 4.104 460 HE2 GLU 596 HE GLU 596 -18.791 -18.012 3.505 Start of MODEL 12 1 H1 GLY 540 HN GLY 540 -10.253 15.707 -12.086 2 HA2 GLY 540 2HA GLY 540 -8.027 16.925 -12.352 3 HA3 GLY 540 3HA GLY 540 -9.428 17.963 -12.133 4 HA PRO 541 HA PRO 541 -7.248 17.705 -7.817 5 HB2 PRO 541 3HB PRO 541 -4.791 16.498 -7.755 6 HB3 PRO 541 2HB PRO 541 -6.306 15.634 -7.495 7 HG2 PRO 541 3HG PRO 541 -4.667 15.888 -9.994 8 HG3 PRO 541 2HG PRO 541 -5.435 14.422 -9.278 9 HD2 PRO 541 3HD PRO 541 -6.517 15.768 -11.373 10 HD3 PRO 541 2HD PRO 541 -7.504 14.964 -10.140 11 H HIS 542 HN HIS 542 -5.507 18.993 -6.878 12 HA HIS 542 HA HIS 542 -4.314 20.783 -8.879 13 HB2 HIS 542 3HB HIS 542 -5.894 21.649 -7.056 14 HB3 HIS 542 2HB HIS 542 -4.570 21.346 -5.927 15 HD1 HIS 542 1HD HIS 542 -5.170 24.138 -5.866 16 HD2 HIS 542 2HD HIS 542 -2.822 22.605 -8.932 17 HE1 HIS 542 1HE HIS 542 -3.897 26.103 -6.783 18 HE2 HIS 542 2HE HIS 542 -2.460 25.167 -8.656 19 H MET 543 HN MET 543 -3.451 19.772 -5.566 20 HA MET 543 HA MET 543 -0.653 20.038 -6.111 21 HB2 MET 543 3HB MET 543 -2.292 19.130 -3.767 22 HB3 MET 543 2HB MET 543 -0.547 18.835 -3.791 23 HG2 MET 543 3HG MET 543 -1.575 21.589 -4.336 24 HG3 MET 543 2HG MET 543 -1.516 20.984 -2.678 25 HE1 MET 543 3HE MET 543 -0.164 23.353 -2.733 26 HE2 MET 543 1HE MET 543 1.556 23.447 -3.109 27 HE3 MET 543 2HE MET 543 0.366 23.494 -4.410 28 H GLY 544 HN GLY 544 0.910 18.266 -5.752 29 HA2 GLY 544 2HA GLY 544 -0.027 15.554 -6.098 30 HA3 GLY 544 3HA GLY 544 0.752 16.227 -7.522 31 H ASP 545 HN ASP 545 1.540 16.699 -4.096 32 HA ASP 545 HA ASP 545 4.321 16.293 -4.579 33 HB2 ASP 545 3HB ASP 545 3.010 16.238 -1.862 34 HB3 ASP 545 2HB ASP 545 4.642 16.773 -2.286 35 HD2 ASP 545 HD ASP 545 3.488 19.895 -3.348 36 H LEU 546 HN LEU 546 1.708 14.304 -3.341 37 HA LEU 546 HA LEU 546 3.168 12.222 -2.213 38 HB2 LEU 546 3HB LEU 546 0.471 12.444 -3.480 39 HB3 LEU 546 2HB LEU 546 1.108 10.840 -3.082 40 HG LEU 546 HG LEU 546 -0.400 11.742 -1.349 41 HD11 LEU 546 1HD1 LEU 546 1.446 10.141 -0.843 42 HD12 LEU 546 2HD1 LEU 546 0.955 11.142 0.521 43 HD13 LEU 546 3HD1 LEU 546 2.436 11.517 -0.359 44 HD21 LEU 546 3HD2 LEU 546 0.177 13.625 -0.028 45 HD22 LEU 546 1HD2 LEU 546 0.308 14.132 -1.712 46 HD23 LEU 546 2HD2 LEU 546 1.763 13.759 -0.788 47 H ALA 547 HN ALA 547 2.697 13.078 -5.527 48 HA ALA 547 HA ALA 547 3.073 10.693 -6.862 49 HB1 ALA 547 1HB ALA 547 3.747 11.956 -8.741 50 HB2 ALA 547 2HB ALA 547 2.611 12.972 -7.852 51 HB3 ALA 547 3HB ALA 547 4.344 13.275 -7.733 52 H LYS 548 HN LYS 548 5.442 12.716 -5.241 53 HA LYS 548 HA LYS 548 7.721 11.306 -6.250 54 HB2 LYS 548 3HB LYS 548 7.528 13.725 -5.262 55 HB3 LYS 548 2HB LYS 548 7.774 12.900 -3.714 56 HG2 LYS 548 3HG LYS 548 9.887 11.980 -4.509 57 HG3 LYS 548 2HG LYS 548 9.640 12.772 -6.076 58 HD2 LYS 548 3HD LYS 548 11.093 14.207 -4.920 59 HD3 LYS 548 2HD LYS 548 9.496 14.958 -4.758 60 HE2 LYS 548 3HE LYS 548 9.258 13.855 -2.528 61 HE3 LYS 548 2HE LYS 548 10.923 13.281 -2.697 62 HZ1 LYS 548 3HZ LYS 548 9.985 15.839 -1.885 63 HZ2 LYS 548 1HZ LYS 548 11.045 15.979 -3.195 64 HZ3 LYS 548 2HZ LYS 548 11.543 15.190 -1.785 65 H GLU 549 HN GLU 549 5.649 11.041 -3.441 66 HA GLU 549 HA GLU 549 7.331 9.293 -1.956 67 HB2 GLU 549 3HB GLU 549 4.633 10.402 -1.729 68 HB3 GLU 549 2HB GLU 549 4.758 8.747 -1.115 69 HG2 GLU 549 3HG GLU 549 6.270 9.319 0.544 70 HG3 GLU 549 2HG GLU 549 6.750 10.809 -0.282 71 HE2 GLU 549 HE GLU 549 3.539 10.883 2.030 72 H ARG 550 HN ARG 550 4.280 8.631 -3.690 73 HA ARG 550 HA ARG 550 4.327 5.877 -3.529 74 HB2 ARG 550 3HB ARG 550 2.412 7.176 -4.356 75 HB3 ARG 550 2HB ARG 550 3.313 7.553 -5.833 76 HG2 ARG 550 3HG ARG 550 3.218 5.342 -6.612 77 HG3 ARG 550 2HG ARG 550 2.746 4.724 -5.020 78 HD2 ARG 550 3HD ARG 550 0.557 5.491 -5.213 79 HD3 ARG 550 2HD ARG 550 0.994 6.688 -6.440 80 HE ARG 550 HE ARG 550 1.510 4.282 -7.626 81 HH11 ARG 550 1HH1 ARG 550 -1.267 5.748 -6.122 82 HH12 ARG 550 2HH1 ARG 550 -2.411 4.900 -7.106 83 HH21 ARG 550 1HH2 ARG 550 0.012 3.160 -8.930 84 HH22 ARG 550 2HH2 ARG 550 -1.684 3.428 -8.704 85 H ALA 551 HN ALA 551 5.978 7.991 -5.808 86 HA ALA 551 HA ALA 551 6.812 6.185 -7.720 87 HB1 ALA 551 1HB ALA 551 7.698 8.076 -8.468 88 HB2 ALA 551 2HB ALA 551 7.563 8.821 -6.875 89 HB3 ALA 551 3HB ALA 551 8.999 7.887 -7.293 90 H GLY 552 HN GLY 552 8.726 7.182 -4.869 91 HA2 GLY 552 2HA GLY 552 10.612 5.059 -5.226 92 HA3 GLY 552 3HA GLY 552 10.516 6.145 -3.848 93 H VAL 553 HN VAL 553 7.978 5.635 -2.913 94 HA VAL 553 HA VAL 553 8.320 3.447 -1.267 95 HB VAL 553 HB VAL 553 5.717 4.676 -2.183 96 HG11 VAL 553 1HG1 VAL 553 4.944 2.739 -1.252 97 HG12 VAL 553 2HG1 VAL 553 6.344 2.558 -0.192 98 HG13 VAL 553 3HG1 VAL 553 5.084 3.729 0.200 99 HG21 VAL 553 3HG2 VAL 553 6.031 6.308 -0.675 100 HG22 VAL 553 1HG2 VAL 553 6.705 5.204 0.522 101 HG23 VAL 553 2HG2 VAL 553 7.730 5.849 -0.759 102 H TYR 554 HN TYR 554 6.186 3.602 -4.124 103 HA TYR 554 HA TYR 554 5.352 0.975 -4.165 104 HB2 TYR 554 3HB TYR 554 4.403 2.666 -5.635 105 HB3 TYR 554 2HB TYR 554 5.931 2.794 -6.512 106 HD1 TYR 554 1HD TYR 554 3.093 0.523 -5.819 107 HD2 TYR 554 2HD TYR 554 6.491 1.295 -8.261 108 HE1 TYR 554 1HE TYR 554 2.369 -1.240 -7.374 109 HE2 TYR 554 2HE TYR 554 5.775 -0.465 -9.823 110 HH TYR 554 HH TYR 554 4.388 -2.272 -10.049 111 H THR 555 HN THR 555 8.298 2.367 -5.547 112 HA THR 555 HA THR 555 9.277 0.209 -6.954 113 HB THR 555 HB THR 555 10.988 2.045 -5.270 114 HG1 THR 555 1HG THR 555 9.876 2.423 -7.868 115 HG21 THR 555 3HG2 THR 555 12.685 0.946 -6.203 116 HG22 THR 555 1HG2 THR 555 12.128 1.485 -7.787 117 HG23 THR 555 2HG2 THR 555 11.569 -0.055 -7.132 118 H LYS 556 HN LYS 556 9.555 0.873 -3.487 119 HA LYS 556 HA LYS 556 11.127 -1.474 -2.971 120 HB2 LYS 556 3HB LYS 556 9.996 0.764 -1.406 121 HB3 LYS 556 2HB LYS 556 10.169 -0.766 -0.531 122 HG2 LYS 556 3HG LYS 556 12.195 0.192 -0.084 123 HG3 LYS 556 2HG LYS 556 12.582 -0.727 -1.550 124 HD2 LYS 556 3HD LYS 556 12.410 1.226 -2.924 125 HD3 LYS 556 2HD LYS 556 11.744 2.169 -1.580 126 HE2 LYS 556 3HE LYS 556 13.973 2.852 -1.649 127 HE3 LYS 556 2HE LYS 556 13.954 1.624 -0.375 128 HZ1 LYS 556 3HZ LYS 556 15.798 1.499 -2.100 129 HZ2 LYS 556 1HZ LYS 556 14.618 0.923 -3.169 130 HZ3 LYS 556 2HZ LYS 556 14.970 0.064 -1.755 131 H LEU 557 HN LEU 557 7.733 -0.632 -2.906 132 HA LEU 557 HA LEU 557 6.719 -2.729 -1.381 133 HB2 LEU 557 3HB LEU 557 5.679 -0.910 -3.468 134 HB3 LEU 557 2HB LEU 557 4.768 -2.408 -3.216 135 HG LEU 557 HG LEU 557 3.774 -0.641 -1.922 136 HD11 LEU 557 1HD1 LEU 557 3.331 -2.136 -0.350 137 HD12 LEU 557 2HD1 LEU 557 4.891 -1.828 0.411 138 HD13 LEU 557 3HD1 LEU 557 4.749 -3.064 -0.840 139 HD21 LEU 557 3HD2 LEU 557 5.570 0.900 -1.686 140 HD22 LEU 557 1HD2 LEU 557 6.544 -0.273 -0.798 141 HD23 LEU 557 2HD2 LEU 557 5.093 0.406 -0.061 142 H CYS 558 HN CYS 558 7.841 -2.664 -4.691 143 HA CYS 558 HA CYS 558 6.706 -5.104 -5.544 144 HB2 CYS 558 3HB CYS 558 9.224 -3.702 -6.462 145 HB3 CYS 558 2HB CYS 558 8.430 -5.030 -7.326 146 HG CYS 558 HG CYS 558 7.402 -1.807 -7.019 147 H GLY 559 HN GLY 559 9.229 -4.424 -3.365 148 HA2 GLY 559 2HA GLY 559 10.287 -7.166 -3.633 149 HA3 GLY 559 3HA GLY 559 11.174 -5.816 -2.938 150 H VAL 560 HN VAL 560 8.097 -5.506 -1.850 151 HA VAL 560 HA VAL 560 8.674 -7.073 0.580 152 HB VAL 560 HB VAL 560 7.041 -4.539 0.454 153 HG11 VAL 560 1HG1 VAL 560 8.185 -6.076 2.784 154 HG12 VAL 560 2HG1 VAL 560 7.273 -4.569 2.886 155 HG13 VAL 560 3HG1 VAL 560 6.489 -6.038 2.303 156 HG21 VAL 560 3HG2 VAL 560 8.953 -3.408 0.327 157 HG22 VAL 560 1HG2 VAL 560 9.384 -4.070 1.903 158 HG23 VAL 560 2HG2 VAL 560 9.899 -4.893 0.430 159 H PHE 561 HN PHE 561 6.358 -6.259 -1.867 160 HA PHE 561 HA PHE 561 4.685 -8.467 -1.076 161 HB2 PHE 561 3HB PHE 561 3.793 -5.611 -0.781 162 HB3 PHE 561 2HB PHE 561 2.620 -6.868 -1.181 163 HD1 PHE 561 2HD PHE 561 2.424 -8.877 0.365 164 HD2 PHE 561 1HD PHE 561 4.450 -5.292 1.441 165 HE1 PHE 561 2HE PHE 561 2.225 -9.482 2.741 166 HE2 PHE 561 1HE PHE 561 4.255 -5.892 3.819 167 HZ PHE 561 HZ PHE 561 3.140 -7.988 4.472 168 HA PRO 562 HA PRO 562 3.865 -8.687 -5.379 169 HB2 PRO 562 3HB PRO 562 1.304 -9.655 -5.441 170 HB3 PRO 562 2HB PRO 562 2.697 -10.621 -4.959 171 HG2 PRO 562 3HG PRO 562 0.714 -9.161 -3.247 172 HG3 PRO 562 2HG PRO 562 1.367 -10.832 -3.063 173 HD2 PRO 562 3HD PRO 562 2.264 -8.736 -1.588 174 HD3 PRO 562 2HD PRO 562 3.316 -10.068 -2.098 175 HA PRO 563 HA PRO 563 1.725 -5.183 -6.952 176 HB2 PRO 563 3HB PRO 563 0.648 -6.113 -9.291 177 HB3 PRO 563 2HB PRO 563 2.373 -5.832 -9.058 178 HG2 PRO 563 3HG PRO 563 0.818 -8.388 -8.849 179 HG3 PRO 563 2HG PRO 563 2.393 -8.076 -9.669 180 HD2 PRO 563 3HD PRO 563 2.218 -9.259 -7.232 181 HD3 PRO 563 2HD PRO 563 3.559 -8.195 -7.685 182 H HIS 564 HN HIS 564 -0.270 -8.124 -7.233 183 HA HIS 564 HA HIS 564 -2.762 -6.912 -7.404 184 HB2 HIS 564 3HB HIS 564 -3.675 -8.999 -7.060 185 HB3 HIS 564 2HB HIS 564 -2.034 -9.432 -7.548 186 HD1 HIS 564 1HD HIS 564 -0.441 -10.374 -5.729 187 HD2 HIS 564 2HD HIS 564 -4.300 -9.602 -4.394 188 HE1 HIS 564 1HE HIS 564 -0.624 -11.519 -3.497 189 HE2 HIS 564 2HE HIS 564 -2.982 -11.047 -2.681 190 H LEU 565 HN LEU 565 -0.658 -7.278 -4.683 191 HA LEU 565 HA LEU 565 -2.714 -6.731 -2.724 192 HB2 LEU 565 3HB LEU 565 0.166 -7.403 -2.704 193 HB3 LEU 565 2HB LEU 565 -0.409 -6.389 -1.370 194 HG LEU 565 HG LEU 565 -1.451 -9.128 -2.088 195 HD11 LEU 565 1HD1 LEU 565 0.347 -9.807 -0.956 196 HD12 LEU 565 2HD1 LEU 565 -0.477 -9.193 0.478 197 HD13 LEU 565 3HD1 LEU 565 0.698 -8.182 -0.364 198 HD21 LEU 565 3HD2 LEU 565 -2.320 -7.062 -0.112 199 HD22 LEU 565 1HD2 LEU 565 -2.506 -8.775 0.264 200 HD23 LEU 565 2HD2 LEU 565 -3.294 -8.095 -1.160 201 H VAL 566 HN VAL 566 0.309 -5.066 -3.643 202 HA VAL 566 HA VAL 566 -0.180 -2.677 -2.319 203 HB VAL 566 HB VAL 566 1.312 -3.021 -4.924 204 HG11 VAL 566 1HG1 VAL 566 0.896 -0.703 -4.551 205 HG12 VAL 566 2HG1 VAL 566 1.344 -0.837 -2.849 206 HG13 VAL 566 3HG1 VAL 566 2.572 -1.018 -4.103 207 HG21 VAL 566 3HG2 VAL 566 2.967 -4.003 -3.804 208 HG22 VAL 566 1HG2 VAL 566 2.926 -2.774 -2.540 209 HG23 VAL 566 2HG2 VAL 566 1.852 -4.171 -2.447 210 H GLU 567 HN GLU 567 -0.817 -3.435 -5.745 211 HA GLU 567 HA GLU 567 -1.956 -1.041 -6.510 212 HB2 GLU 567 3HB GLU 567 -2.515 -3.873 -7.391 213 HB3 GLU 567 2HB GLU 567 -3.284 -2.474 -8.157 214 HG2 GLU 567 3HG GLU 567 -1.015 -1.570 -8.658 215 HG3 GLU 567 2HG GLU 567 -0.342 -3.090 -8.050 216 HE2 GLU 567 HE GLU 567 -2.336 -4.511 -10.902 217 H ALA 568 HN ALA 568 -3.312 -3.604 -4.584 218 HA ALA 568 HA ALA 568 -6.015 -2.596 -4.755 219 HB1 ALA 568 1HB ALA 568 -5.975 -4.355 -2.642 220 HB2 ALA 568 2HB ALA 568 -6.341 -4.760 -4.320 221 HB3 ALA 568 3HB ALA 568 -4.704 -4.969 -3.699 222 H VAL 569 HN VAL 569 -3.698 -3.027 -2.072 223 HA VAL 569 HA VAL 569 -5.080 -1.622 -0.131 224 HB VAL 569 HB VAL 569 -2.076 -1.642 -0.430 225 HG11 VAL 569 1HG1 VAL 569 -2.761 -0.113 1.269 226 HG12 VAL 569 2HG1 VAL 569 -3.905 -1.279 1.937 227 HG13 VAL 569 3HG1 VAL 569 -2.170 -1.569 2.070 228 HG21 VAL 569 3HG2 VAL 569 -2.754 -3.623 1.367 229 HG22 VAL 569 1HG2 VAL 569 -3.954 -3.800 0.086 230 HG23 VAL 569 2HG2 VAL 569 -2.235 -3.866 -0.301 231 H MET 570 HN MET 570 -2.990 -0.419 -2.691 232 HA MET 570 HA MET 570 -2.655 2.207 -1.809 233 HB2 MET 570 3HB MET 570 -2.671 0.911 -4.518 234 HB3 MET 570 2HB MET 570 -2.532 2.669 -4.373 235 HG2 MET 570 3HG MET 570 -0.655 1.763 -2.572 236 HG3 MET 570 2HG MET 570 -0.551 0.596 -3.894 237 HE1 MET 570 3HE MET 570 2.019 3.660 -3.492 238 HE2 MET 570 1HE MET 570 1.600 2.057 -2.888 239 HE3 MET 570 2HE MET 570 2.420 2.227 -4.439 240 H ARG 571 HN ARG 571 -5.399 0.618 -3.210 241 HA ARG 571 HA ARG 571 -6.776 3.013 -3.978 242 HB2 ARG 571 3HB ARG 571 -7.082 0.586 -4.863 243 HB3 ARG 571 2HB ARG 571 -8.136 0.390 -3.455 244 HG2 ARG 571 3HG ARG 571 -8.630 2.766 -5.152 245 HG3 ARG 571 2HG ARG 571 -9.025 1.183 -5.842 246 HD2 ARG 571 3HD ARG 571 -10.102 0.908 -3.371 247 HD3 ARG 571 2HD ARG 571 -10.289 2.650 -3.620 248 HE ARG 571 HE ARG 571 -11.175 1.167 -5.885 249 HH11 ARG 571 1HH1 ARG 571 -12.077 2.178 -2.678 250 HH12 ARG 571 2HH1 ARG 571 -13.779 2.108 -2.993 251 HH21 ARG 571 1HH2 ARG 571 -13.414 1.070 -6.312 252 HH22 ARG 571 2HH2 ARG 571 -14.539 1.476 -5.060 253 H ARG 572 HN ARG 572 -6.097 1.627 -1.024 254 HA ARG 572 HA ARG 572 -8.557 2.597 0.239 255 HB2 ARG 572 3HB ARG 572 -7.390 0.274 0.668 256 HB3 ARG 572 2HB ARG 572 -6.373 1.231 1.755 257 HG2 ARG 572 3HG ARG 572 -8.048 1.609 3.250 258 HG3 ARG 572 2HG ARG 572 -9.307 1.549 2.006 259 HD2 ARG 572 3HD ARG 572 -9.646 -0.404 3.263 260 HD3 ARG 572 2HD ARG 572 -8.773 -0.941 1.821 261 HE ARG 572 HE ARG 572 -7.078 -1.623 3.179 262 HH11 ARG 572 1HH1 ARG 572 -8.948 0.777 4.871 263 HH12 ARG 572 2HH1 ARG 572 -8.062 0.613 6.351 264 HH21 ARG 572 1HH2 ARG 572 -5.903 -1.848 5.122 265 HH22 ARG 572 2HH2 ARG 572 -6.330 -0.879 6.492 266 H PHE 573 HN PHE 573 -5.047 3.003 0.310 267 HA PHE 573 HA PHE 573 -5.430 5.436 1.927 268 HB2 PHE 573 3HB PHE 573 -3.197 3.423 1.841 269 HB3 PHE 573 2HB PHE 573 -2.901 5.067 2.408 270 HD1 PHE 573 1HD PHE 573 -4.659 1.932 3.121 271 HD2 PHE 573 2HD PHE 573 -3.756 5.856 4.504 272 HE1 PHE 573 1HE PHE 573 -5.477 1.328 5.362 273 HE2 PHE 573 2HE PHE 573 -4.571 5.256 6.746 274 HZ PHE 573 HZ PHE 573 -5.433 2.990 7.178 275 HA PRO 574 HA PRO 574 -3.964 6.697 -2.307 276 HB2 PRO 574 3HB PRO 574 -5.795 8.712 -2.615 277 HB3 PRO 574 2HB PRO 574 -6.111 7.033 -3.050 278 HG2 PRO 574 3HG PRO 574 -6.845 8.520 -0.551 279 HG3 PRO 574 2HG PRO 574 -7.852 7.414 -1.557 280 HD2 PRO 574 3HD PRO 574 -6.696 6.631 0.771 281 HD3 PRO 574 2HD PRO 574 -6.917 5.536 -0.605 282 H GLN 575 HN GLN 575 -4.205 8.034 0.796 283 HA GLN 575 HA GLN 575 -2.666 10.411 -0.011 284 HB2 GLN 575 3HB GLN 575 -3.446 11.539 1.930 285 HB3 GLN 575 2HB GLN 575 -4.858 10.772 1.185 286 HG2 GLN 575 3HG GLN 575 -4.605 8.885 2.805 287 HG3 GLN 575 2HG GLN 575 -3.349 9.834 3.611 288 HE21 GLN 575 1HE2 GLN 575 -6.749 9.721 2.787 289 HE22 GLN 575 2HE2 GLN 575 -7.280 10.817 4.011 290 H LEU 576 HN LEU 576 -2.484 7.416 1.548 291 HA LEU 576 HA LEU 576 0.101 8.164 2.743 292 HB2 LEU 576 3HB LEU 576 -2.217 7.042 4.004 293 HB3 LEU 576 2HB LEU 576 -0.887 5.871 4.059 294 HG LEU 576 HG LEU 576 -0.891 8.668 5.186 295 HD11 LEU 576 1HD1 LEU 576 -0.777 5.935 6.449 296 HD12 LEU 576 2HD1 LEU 576 -2.080 7.116 6.578 297 HD13 LEU 576 3HD1 LEU 576 -0.513 7.450 7.313 298 HD21 LEU 576 3HD2 LEU 576 1.316 6.796 4.559 299 HD22 LEU 576 1HD2 LEU 576 1.382 7.632 6.110 300 HD23 LEU 576 2HD2 LEU 576 1.301 8.559 4.611 301 H LEU 577 HN LEU 577 1.670 7.260 1.596 302 HA LEU 577 HA LEU 577 1.335 4.473 0.714 303 HB2 LEU 577 3HB LEU 577 2.451 6.809 -0.832 304 HB3 LEU 577 2HB LEU 577 2.779 5.123 -1.269 305 HG LEU 577 HG LEU 577 1.039 5.899 -2.685 306 HD11 LEU 577 1HD1 LEU 577 -0.457 4.378 -0.583 307 HD12 LEU 577 2HD1 LEU 577 0.835 3.623 -1.515 308 HD13 LEU 577 3HD1 LEU 577 -0.584 4.267 -2.339 309 HD21 LEU 577 3HD2 LEU 577 -0.678 7.251 -2.097 310 HD22 LEU 577 1HD2 LEU 577 0.421 7.683 -0.786 311 HD23 LEU 577 2HD2 LEU 577 -0.865 6.509 -0.507 312 H ASP 578 HN ASP 578 2.575 3.562 2.294 313 HA ASP 578 HA ASP 578 5.424 4.302 2.279 314 HB2 ASP 578 3HB ASP 578 3.548 4.121 4.549 315 HB3 ASP 578 2HB ASP 578 5.088 3.287 4.792 316 HD2 ASP 578 HD ASP 578 6.412 6.313 5.682 317 HA PRO 579 HA PRO 579 6.266 0.064 1.504 318 HB2 PRO 579 3HB PRO 579 8.714 -0.202 2.703 319 HB3 PRO 579 2HB PRO 579 8.456 0.685 1.201 320 HG2 PRO 579 3HG PRO 579 8.651 1.717 4.011 321 HG3 PRO 579 2HG PRO 579 9.425 2.346 2.509 322 HD2 PRO 579 3HD PRO 579 7.211 3.477 3.602 323 HD3 PRO 579 2HD PRO 579 7.499 3.429 1.853 324 H GLN 580 HN GLN 580 7.099 1.007 4.845 325 HA GLN 580 HA GLN 580 6.572 -1.649 5.832 326 HB2 GLN 580 3HB GLN 580 7.368 0.955 7.118 327 HB3 GLN 580 2HB GLN 580 6.925 -0.458 8.089 328 HG2 GLN 580 3HG GLN 580 8.873 -1.489 7.723 329 HG3 GLN 580 2HG GLN 580 8.884 -1.044 6.010 330 HE21 GLN 580 1HE2 GLN 580 8.973 1.593 5.942 331 HE22 GLN 580 2HE2 GLN 580 10.370 2.209 6.749 332 H GLN 581 HN GLN 581 5.089 1.558 6.249 333 HA GLN 581 HA GLN 581 3.017 0.906 7.936 334 HB2 GLN 581 3HB GLN 581 3.758 3.129 6.476 335 HB3 GLN 581 2HB GLN 581 2.177 2.711 5.796 336 HG2 GLN 581 3HG GLN 581 1.121 2.869 7.937 337 HG3 GLN 581 2HG GLN 581 2.686 3.059 8.738 338 HE21 GLN 581 1HE2 GLN 581 3.966 4.891 7.260 339 HE22 GLN 581 2HE2 GLN 581 3.113 6.393 7.264 340 H LEU 582 HN LEU 582 3.342 0.243 4.523 341 HA LEU 582 HA LEU 582 0.622 -0.468 4.068 342 HB2 LEU 582 3HB LEU 582 3.189 -0.683 2.592 343 HB3 LEU 582 2HB LEU 582 1.888 -1.790 2.121 344 HG LEU 582 HG LEU 582 1.662 1.219 2.157 345 HD11 LEU 582 1HD1 LEU 582 3.210 0.008 0.433 346 HD12 LEU 582 2HD1 LEU 582 2.095 1.267 -0.097 347 HD13 LEU 582 3HD1 LEU 582 1.679 -0.432 -0.325 348 HD21 LEU 582 3HD2 LEU 582 -0.232 -1.000 1.672 349 HD22 LEU 582 1HD2 LEU 582 -0.317 0.373 0.568 350 HD23 LEU 582 2HD2 LEU 582 -0.518 0.624 2.302 351 H ALA 583 HN ALA 583 3.531 -2.261 4.945 352 HA ALA 583 HA ALA 583 2.645 -4.862 4.627 353 HB1 ALA 583 1HB ALA 583 4.950 -4.215 5.228 354 HB2 ALA 583 2HB ALA 583 4.397 -3.853 6.864 355 HB3 ALA 583 3HB ALA 583 4.312 -5.504 6.250 356 H ALA 584 HN ALA 584 1.979 -2.585 7.222 357 HA ALA 584 HA ALA 584 0.795 -4.423 9.016 358 HB1 ALA 584 1HB ALA 584 0.948 -2.625 10.305 359 HB2 ALA 584 2HB ALA 584 1.261 -1.602 8.903 360 HB3 ALA 584 3HB ALA 584 -0.397 -1.908 9.418 361 H GLU 585 HN GLU 585 -0.600 -2.233 6.587 362 HA GLU 585 HA GLU 585 -3.291 -2.950 7.073 363 HB2 GLU 585 3HB GLU 585 -1.858 -1.628 4.783 364 HB3 GLU 585 2HB GLU 585 -3.579 -2.029 4.667 365 HG2 GLU 585 3HG GLU 585 -3.753 0.104 5.423 366 HG3 GLU 585 2HG GLU 585 -3.681 -0.753 6.969 367 HE2 GLU 585 HE GLU 585 -0.658 1.578 5.955 368 H ILE 586 HN ILE 586 -0.912 -4.073 4.694 369 HA ILE 586 HA ILE 586 -2.587 -5.811 3.275 370 HB ILE 586 HB ILE 586 0.381 -6.080 3.769 371 HG12 ILE 586 1HG1 ILE 586 -0.959 -4.964 1.311 372 HG13 ILE 586 2HG1 ILE 586 -0.559 -3.930 2.692 373 HG21 ILE 586 1HG2 ILE 586 0.285 -7.336 1.578 374 HG22 ILE 586 2HG2 ILE 586 -0.396 -8.166 2.976 375 HG23 ILE 586 3HG2 ILE 586 -1.464 -7.404 1.797 376 HD11 ILE 586 3HD1 ILE 586 1.204 -3.727 1.122 377 HD12 ILE 586 1HD1 ILE 586 1.812 -4.685 2.472 378 HD13 ILE 586 2HD1 ILE 586 1.350 -5.477 0.964 379 H LEU 587 HN LEU 587 -1.035 -6.139 6.362 380 HA LEU 587 HA LEU 587 -1.178 -8.973 6.549 381 HB2 LEU 587 3HB LEU 587 -0.699 -6.715 8.440 382 HB3 LEU 587 2HB LEU 587 -1.124 -8.302 9.106 383 HG LEU 587 HG LEU 587 1.186 -7.907 7.218 384 HD11 LEU 587 1HD1 LEU 587 2.566 -7.269 8.871 385 HD12 LEU 587 2HD1 LEU 587 1.748 -8.258 10.079 386 HD13 LEU 587 3HD1 LEU 587 1.084 -6.688 9.631 387 HD21 LEU 587 3HD2 LEU 587 1.821 -10.054 7.789 388 HD22 LEU 587 1HD2 LEU 587 0.064 -10.190 7.744 389 HD23 LEU 587 2HD2 LEU 587 0.896 -10.042 9.292 390 H SER 588 HN SER 588 -3.408 -6.372 7.181 391 HA SER 588 HA SER 588 -5.259 -7.994 8.676 392 HB2 SER 588 1HB SER 588 -5.218 -5.649 9.186 393 HB3 SER 588 2HB SER 588 -5.466 -5.224 7.482 394 HG SER 588 HG SER 588 -7.481 -5.128 8.159 395 H TYR 589 HN TYR 589 -5.086 -6.681 5.387 396 HA TYR 589 HA TYR 589 -7.572 -7.618 4.488 397 HB2 TYR 589 3HB TYR 589 -6.293 -5.941 3.262 398 HB3 TYR 589 2HB TYR 589 -5.023 -7.122 2.935 399 HD1 TYR 589 2HD TYR 589 -8.728 -6.852 2.475 400 HD2 TYR 589 1HD TYR 589 -4.994 -8.072 0.839 401 HE1 TYR 589 2HE TYR 589 -9.864 -7.533 0.403 402 HE2 TYR 589 1HE TYR 589 -6.120 -8.755 -1.238 403 HH TYR 589 HH TYR 589 -9.247 -7.845 -2.017 404 H LYS 590 HN LYS 590 -4.378 -9.127 4.519 405 HA LYS 590 HA LYS 590 -4.941 -11.391 2.997 406 HB2 LYS 590 3HB LYS 590 -2.718 -10.482 4.115 407 HB3 LYS 590 2HB LYS 590 -3.163 -11.638 5.382 408 HG2 LYS 590 3HG LYS 590 -1.859 -12.986 4.099 409 HG3 LYS 590 2HG LYS 590 -3.426 -13.265 3.320 410 HD2 LYS 590 3HD LYS 590 -1.668 -11.037 2.353 411 HD3 LYS 590 2HD LYS 590 -1.327 -12.707 1.869 412 HE2 LYS 590 3HE LYS 590 -3.861 -12.780 1.249 413 HE3 LYS 590 2HE LYS 590 -3.720 -11.017 1.263 414 HZ1 LYS 590 3HZ LYS 590 -3.073 -12.705 -0.808 415 HZ2 LYS 590 1HZ LYS 590 -1.583 -12.186 -0.195 416 HZ3 LYS 590 2HZ LYS 590 -2.730 -11.052 -0.704 417 H SER 591 HN SER 591 -5.040 -11.052 6.546 418 HA SER 591 HA SER 591 -6.067 -13.607 7.071 419 HB2 SER 591 1HB SER 591 -5.076 -12.337 8.859 420 HB3 SER 591 2HB SER 591 -6.260 -11.034 8.649 421 HG SER 591 HG SER 591 -6.473 -13.328 10.076 422 H GLN 592 HN GLN 592 -7.638 -10.597 6.215 423 HA GLN 592 HA GLN 592 -10.274 -11.283 6.905 424 HB2 GLN 592 3HB GLN 592 -8.999 -9.304 5.071 425 HB3 GLN 592 2HB GLN 592 -10.734 -9.612 4.891 426 HG2 GLN 592 3HG GLN 592 -10.818 -9.213 7.459 427 HG3 GLN 592 2HG GLN 592 -9.261 -8.417 7.194 428 HE21 GLN 592 1HE2 GLN 592 -12.383 -8.525 5.500 429 HE22 GLN 592 2HE2 GLN 592 -12.546 -6.812 5.341 430 H HIS 593 HN HIS 593 -8.302 -12.059 4.130 431 HA HIS 593 HA HIS 593 -10.572 -13.538 2.971 432 HB2 HIS 593 3HB HIS 593 -8.226 -12.155 1.680 433 HB3 HIS 593 2HB HIS 593 -9.132 -13.411 0.830 434 HD1 HIS 593 1HD HIS 593 -10.345 -12.065 -0.895 435 HD2 HIS 593 2HD HIS 593 -10.799 -10.518 2.934 436 HE1 HIS 593 1HE HIS 593 -12.059 -10.237 -1.108 437 HE2 HIS 593 2HE HIS 593 -12.336 -9.290 1.233 438 H LEU 594 HN LEU 594 -9.034 -14.627 5.048 439 HA LEU 594 HA LEU 594 -7.007 -16.348 3.959 440 HB2 LEU 594 3HB LEU 594 -7.313 -15.402 6.387 441 HB3 LEU 594 2HB LEU 594 -8.326 -16.843 6.590 442 HG LEU 594 HG LEU 594 -6.409 -18.265 6.020 443 HD11 LEU 594 1HD1 LEU 594 -4.950 -17.176 4.664 444 HD12 LEU 594 2HD1 LEU 594 -4.151 -16.885 6.208 445 HD13 LEU 594 3HD1 LEU 594 -5.159 -15.631 5.488 446 HD21 LEU 594 3HD2 LEU 594 -6.300 -18.246 8.251 447 HD22 LEU 594 1HD2 LEU 594 -6.574 -16.505 8.337 448 HD23 LEU 594 2HD2 LEU 594 -4.949 -17.128 8.052 449 H SER 595 HN SER 595 -7.099 -18.654 3.893 450 HA SER 595 HA SER 595 -9.738 -19.891 3.988 451 HB2 SER 595 1HB SER 595 -9.809 -20.612 1.768 452 HB3 SER 595 2HB SER 595 -9.170 -18.964 1.618 453 HG SER 595 HG SER 595 -7.978 -20.548 0.407 454 H GLU 596 HN GLU 596 -9.699 -22.070 4.416 455 HA GLU 596 HA GLU 596 -7.045 -23.317 4.684 456 HB2 GLU 596 3HB GLU 596 -9.345 -23.336 6.639 457 HB3 GLU 596 2HB GLU 596 -8.024 -24.514 6.705 458 HG2 GLU 596 3HG GLU 596 -7.461 -21.567 6.718 459 HG3 GLU 596 2HG GLU 596 -7.903 -22.428 8.201 460 HE2 GLU 596 HE GLU 596 -4.356 -22.635 8.130 Start of MODEL 13 1 H1 GLY 540 HN GLY 540 -2.583 14.835 -2.554 2 HA2 GLY 540 2HA GLY 540 -2.674 14.659 -4.843 3 HA3 GLY 540 3HA GLY 540 -4.375 14.252 -4.665 4 HA PRO 541 HA PRO 541 -5.631 18.140 -6.243 5 HB2 PRO 541 3HB PRO 541 -7.637 18.939 -4.559 6 HB3 PRO 541 2HB PRO 541 -7.798 17.604 -5.700 7 HG2 PRO 541 3HG PRO 541 -7.144 17.535 -2.772 8 HG3 PRO 541 2HG PRO 541 -8.301 16.515 -3.707 9 HD2 PRO 541 3HD PRO 541 -5.835 15.643 -2.977 10 HD3 PRO 541 2HD PRO 541 -6.615 15.152 -4.491 11 H HIS 542 HN HIS 542 -4.436 18.012 -3.015 12 HA HIS 542 HA HIS 542 -4.344 20.900 -2.706 13 HB2 HIS 542 3HB HIS 542 -3.297 18.670 -0.941 14 HB3 HIS 542 2HB HIS 542 -3.274 20.387 -0.525 15 HD1 HIS 542 1HD HIS 542 -6.030 21.337 -1.129 16 HD2 HIS 542 2HD HIS 542 -5.297 17.608 0.550 17 HE1 HIS 542 1HE HIS 542 -8.168 20.688 0.026 18 HE2 HIS 542 2HE HIS 542 -7.720 18.409 1.052 19 H MET 543 HN MET 543 -1.800 18.474 -2.161 20 HA MET 543 HA MET 543 0.106 20.318 -3.421 21 HB2 MET 543 3HB MET 543 0.640 17.961 -1.598 22 HB3 MET 543 2HB MET 543 1.844 19.111 -2.199 23 HG2 MET 543 3HG MET 543 -0.469 19.783 -0.376 24 HG3 MET 543 2HG MET 543 1.213 19.572 0.113 25 HE1 MET 543 3HE MET 543 2.801 21.005 0.240 26 HE2 MET 543 1HE MET 543 2.970 22.626 -0.435 27 HE3 MET 543 2HE MET 543 1.937 22.360 0.969 28 H GLY 544 HN GLY 544 2.152 18.794 -4.156 29 HA2 GLY 544 2HA GLY 544 1.028 16.727 -5.937 30 HA3 GLY 544 3HA GLY 544 2.111 17.962 -6.560 31 H ASP 545 HN ASP 545 2.632 16.669 -3.387 32 HA ASP 545 HA ASP 545 5.168 15.553 -4.280 33 HB2 ASP 545 3HB ASP 545 4.805 17.060 -2.201 34 HB3 ASP 545 2HB ASP 545 4.206 15.583 -1.433 35 HD2 ASP 545 HD ASP 545 8.052 16.064 -1.755 36 H LEU 546 HN LEU 546 2.040 14.512 -3.248 37 HA LEU 546 HA LEU 546 2.538 11.972 -2.268 38 HB2 LEU 546 3HB LEU 546 0.269 13.318 -3.613 39 HB3 LEU 546 2HB LEU 546 0.250 11.546 -3.621 40 HG LEU 546 HG LEU 546 -1.059 12.518 -1.772 41 HD11 LEU 546 1HD1 LEU 546 -0.448 10.386 -1.225 42 HD12 LEU 546 2HD1 LEU 546 0.339 11.275 0.080 43 HD13 LEU 546 3HD1 LEU 546 1.279 10.738 -1.312 44 HD21 LEU 546 3HD2 LEU 546 1.608 13.497 -0.760 45 HD22 LEU 546 1HD2 LEU 546 0.059 13.618 0.074 46 HD23 LEU 546 2HD2 LEU 546 0.329 14.518 -1.418 47 H ALA 547 HN ALA 547 2.698 13.158 -5.531 48 HA ALA 547 HA ALA 547 2.633 10.618 -6.826 49 HB1 ALA 547 1HB ALA 547 2.506 11.862 -8.662 50 HB2 ALA 547 2HB ALA 547 2.606 13.292 -7.634 51 HB3 ALA 547 3HB ALA 547 4.072 12.604 -8.331 52 H LYS 548 HN LYS 548 5.147 12.620 -5.439 53 HA LYS 548 HA LYS 548 7.325 11.156 -6.586 54 HB2 LYS 548 3HB LYS 548 7.303 13.585 -5.700 55 HB3 LYS 548 2HB LYS 548 7.518 12.844 -4.106 56 HG2 LYS 548 3HG LYS 548 9.682 13.395 -4.807 57 HG3 LYS 548 2HG LYS 548 9.532 11.652 -5.100 58 HD2 LYS 548 3HD LYS 548 8.848 12.255 -7.482 59 HD3 LYS 548 2HD LYS 548 9.414 13.892 -7.107 60 HE2 LYS 548 3HE LYS 548 11.120 11.416 -6.785 61 HE3 LYS 548 2HE LYS 548 11.099 12.419 -8.243 62 HZ1 LYS 548 3HZ LYS 548 12.899 13.160 -6.943 63 HZ2 LYS 548 1HZ LYS 548 11.977 13.202 -5.524 64 HZ3 LYS 548 2HZ LYS 548 11.693 14.331 -6.752 65 H GLU 549 HN GLU 549 5.431 10.953 -3.657 66 HA GLU 549 HA GLU 549 7.180 9.246 -2.217 67 HB2 GLU 549 3HB GLU 549 4.590 10.438 -1.843 68 HB3 GLU 549 2HB GLU 549 4.523 8.722 -1.412 69 HG2 GLU 549 3HG GLU 549 6.376 10.813 -0.277 70 HG3 GLU 549 2HG GLU 549 5.040 9.994 0.545 71 HE2 GLU 549 HE GLU 549 6.963 7.210 1.230 72 H ARG 550 HN ARG 550 4.107 8.512 -3.879 73 HA ARG 550 HA ARG 550 4.183 5.762 -3.661 74 HB2 ARG 550 3HB ARG 550 2.244 7.020 -4.491 75 HB3 ARG 550 2HB ARG 550 3.124 7.382 -5.983 76 HG2 ARG 550 3HG ARG 550 3.024 5.176 -6.742 77 HG3 ARG 550 2HG ARG 550 2.633 4.555 -5.129 78 HD2 ARG 550 3HD ARG 550 0.665 4.522 -6.589 79 HD3 ARG 550 2HD ARG 550 0.446 5.628 -5.225 80 HE ARG 550 HE ARG 550 0.327 7.379 -6.698 81 HH11 ARG 550 1HH1 ARG 550 1.632 4.593 -8.328 82 HH12 ARG 550 2HH1 ARG 550 1.571 5.322 -9.900 83 HH21 ARG 550 1HH2 ARG 550 0.241 8.349 -8.760 84 HH22 ARG 550 2HH2 ARG 550 0.781 7.458 -10.144 85 H ALA 551 HN ALA 551 5.794 7.844 -5.995 86 HA ALA 551 HA ALA 551 6.620 6.013 -7.885 87 HB1 ALA 551 1HB ALA 551 7.729 7.758 -8.702 88 HB2 ALA 551 2HB ALA 551 7.181 8.671 -7.296 89 HB3 ALA 551 3HB ALA 551 8.749 7.866 -7.267 90 H GLY 552 HN GLY 552 8.547 7.058 -5.061 91 HA2 GLY 552 2HA GLY 552 10.436 4.930 -5.407 92 HA3 GLY 552 3HA GLY 552 10.361 6.047 -4.053 93 H VAL 553 HN VAL 553 7.833 5.561 -3.072 94 HA VAL 553 HA VAL 553 8.199 3.414 -1.379 95 HB VAL 553 HB VAL 553 5.582 4.617 -2.290 96 HG11 VAL 553 1HG1 VAL 553 4.833 2.697 -1.300 97 HG12 VAL 553 2HG1 VAL 553 6.241 2.558 -0.246 98 HG13 VAL 553 3HG1 VAL 553 4.976 3.732 0.120 99 HG21 VAL 553 3HG2 VAL 553 6.766 5.182 0.366 100 HG22 VAL 553 1HG2 VAL 553 7.537 5.928 -1.035 101 HG23 VAL 553 2HG2 VAL 553 5.830 6.226 -0.704 102 H TYR 554 HN TYR 554 6.027 3.497 -4.211 103 HA TYR 554 HA TYR 554 5.203 0.864 -4.175 104 HB2 TYR 554 3HB TYR 554 4.219 2.529 -5.658 105 HB3 TYR 554 2HB TYR 554 5.723 2.628 -6.576 106 HD1 TYR 554 2HD TYR 554 2.904 0.378 -5.745 107 HD2 TYR 554 1HD TYR 554 6.226 1.092 -8.307 108 HE1 TYR 554 2HE TYR 554 2.137 -1.424 -7.232 109 HE2 TYR 554 1HE TYR 554 5.467 -0.707 -9.802 110 HH TYR 554 HH TYR 554 2.531 -1.902 -9.898 111 H THR 555 HN THR 555 8.099 2.246 -5.673 112 HA THR 555 HA THR 555 9.060 0.051 -7.037 113 HB THR 555 HB THR 555 10.768 1.998 -5.477 114 HG1 THR 555 1HG THR 555 10.761 3.113 -7.567 115 HG21 THR 555 3HG2 THR 555 12.012 0.081 -6.321 116 HG22 THR 555 1HG2 THR 555 12.432 1.531 -7.231 117 HG23 THR 555 2HG2 THR 555 11.343 0.335 -7.933 118 H LYS 556 HN LYS 556 9.426 0.835 -3.605 119 HA LYS 556 HA LYS 556 11.048 -1.469 -3.056 120 HB2 LYS 556 3HB LYS 556 9.926 0.803 -1.534 121 HB3 LYS 556 2HB LYS 556 10.141 -0.694 -0.615 122 HG2 LYS 556 3HG LYS 556 12.162 0.314 -0.253 123 HG3 LYS 556 2HG LYS 556 12.528 -0.659 -1.689 124 HD2 LYS 556 3HD LYS 556 12.275 1.236 -3.138 125 HD3 LYS 556 2HD LYS 556 11.662 2.227 -1.803 126 HE2 LYS 556 3HE LYS 556 13.935 1.719 -0.667 127 HE3 LYS 556 2HE LYS 556 14.452 1.242 -2.290 128 HZ1 LYS 556 3HZ LYS 556 14.016 3.867 -1.213 129 HZ2 LYS 556 1HZ LYS 556 13.254 3.637 -2.706 130 HZ3 LYS 556 2HZ LYS 556 14.921 3.389 -2.560 131 H LEU 557 HN LEU 557 7.644 -0.677 -2.921 132 HA LEU 557 HA LEU 557 6.703 -2.733 -1.302 133 HB2 LEU 557 3HB LEU 557 5.588 -0.994 -3.411 134 HB3 LEU 557 2HB LEU 557 4.712 -2.508 -3.122 135 HG LEU 557 HG LEU 557 3.696 -0.741 -1.845 136 HD11 LEU 557 1HD1 LEU 557 4.951 -1.925 0.458 137 HD12 LEU 557 2HD1 LEU 557 4.633 -3.142 -0.779 138 HD13 LEU 557 3HD1 LEU 557 3.316 -2.141 -0.167 139 HD21 LEU 557 3HD2 LEU 557 6.470 -0.296 -0.760 140 HD22 LEU 557 1HD2 LEU 557 5.012 0.368 -0.022 141 HD23 LEU 557 2HD2 LEU 557 5.464 0.841 -1.660 142 H CYS 558 HN CYS 558 7.771 -2.780 -4.624 143 HA CYS 558 HA CYS 558 6.649 -5.259 -5.375 144 HB2 CYS 558 3HB CYS 558 9.196 -3.987 -6.392 145 HB3 CYS 558 2HB CYS 558 8.226 -5.213 -7.227 146 HG CYS 558 HG CYS 558 7.918 -1.941 -7.315 147 H GLY 559 HN GLY 559 9.193 -4.476 -3.257 148 HA2 GLY 559 2HA GLY 559 10.280 -7.213 -3.440 149 HA3 GLY 559 3HA GLY 559 11.156 -5.831 -2.801 150 H VAL 560 HN VAL 560 8.091 -5.515 -1.688 151 HA VAL 560 HA VAL 560 8.708 -6.997 0.784 152 HB VAL 560 HB VAL 560 7.044 -4.487 0.595 153 HG11 VAL 560 1HG1 VAL 560 8.232 -5.941 2.956 154 HG12 VAL 560 2HG1 VAL 560 7.316 -4.433 3.025 155 HG13 VAL 560 3HG1 VAL 560 6.528 -5.921 2.498 156 HG21 VAL 560 3HG2 VAL 560 8.945 -3.343 0.398 157 HG22 VAL 560 1HG2 VAL 560 9.395 -3.936 1.997 158 HG23 VAL 560 2HG2 VAL 560 9.909 -4.811 0.555 159 H PHE 561 HN PHE 561 6.359 -6.289 -1.663 160 HA PHE 561 HA PHE 561 4.717 -8.487 -0.781 161 HB2 PHE 561 3HB PHE 561 3.796 -5.633 -0.575 162 HB3 PHE 561 2HB PHE 561 2.635 -6.916 -0.919 163 HD1 PHE 561 1HD PHE 561 2.475 -8.872 0.696 164 HD2 PHE 561 2HD PHE 561 4.475 -5.232 1.629 165 HE1 PHE 561 1HE PHE 561 2.306 -9.398 3.093 166 HE2 PHE 561 2HE PHE 561 4.310 -5.753 4.029 167 HZ PHE 561 HZ PHE 561 3.226 -7.838 4.764 168 HA PRO 562 HA PRO 562 3.858 -8.860 -5.066 169 HB2 PRO 562 3HB PRO 562 1.307 -9.857 -5.068 170 HB3 PRO 562 2HB PRO 562 2.717 -10.792 -4.570 171 HG2 PRO 562 3HG PRO 562 0.734 -9.298 -2.888 172 HG3 PRO 562 2HG PRO 562 1.409 -10.954 -2.655 173 HD2 PRO 562 3HD PRO 562 2.296 -8.802 -1.258 174 HD3 PRO 562 2HD PRO 562 3.358 -10.137 -1.736 175 HA PRO 563 HA PRO 563 1.662 -5.436 -6.734 176 HB2 PRO 563 3HB PRO 563 0.568 -6.457 -9.027 177 HB3 PRO 563 2HB PRO 563 2.292 -6.151 -8.825 178 HG2 PRO 563 3HG PRO 563 0.765 -8.714 -8.508 179 HG3 PRO 563 2HG PRO 563 2.328 -8.414 -9.357 180 HD2 PRO 563 3HD PRO 563 2.195 -9.513 -6.879 181 HD3 PRO 563 2HD PRO 563 3.519 -8.452 -7.385 182 H HIS 564 HN HIS 564 -0.308 -8.404 -6.898 183 HA HIS 564 HA HIS 564 -2.812 -7.225 -7.078 184 HB2 HIS 564 3HB HIS 564 -3.699 -9.308 -6.654 185 HB3 HIS 564 2HB HIS 564 -2.058 -9.742 -7.142 186 HD1 HIS 564 1HD HIS 564 -0.437 -10.595 -5.303 187 HD2 HIS 564 2HD HIS 564 -4.296 -9.831 -3.966 188 HE1 HIS 564 1HE HIS 564 -0.587 -11.666 -3.033 189 HE2 HIS 564 2HE HIS 564 -2.944 -11.198 -2.214 190 H LEU 565 HN LEU 565 -0.675 -7.479 -4.368 191 HA LEU 565 HA LEU 565 -2.715 -6.884 -2.408 192 HB2 LEU 565 3HB LEU 565 0.171 -7.529 -2.396 193 HB3 LEU 565 2HB LEU 565 -0.398 -6.475 -1.091 194 HG LEU 565 HG LEU 565 -1.430 -9.245 -1.702 195 HD11 LEU 565 1HD1 LEU 565 0.727 -8.221 -0.023 196 HD12 LEU 565 2HD1 LEU 565 0.406 -9.860 -0.589 197 HD13 LEU 565 3HD1 LEU 565 -0.422 -9.243 0.840 198 HD21 LEU 565 3HD2 LEU 565 -2.273 -7.125 0.232 199 HD22 LEU 565 1HD2 LEU 565 -2.461 -8.830 0.642 200 HD23 LEU 565 2HD2 LEU 565 -3.263 -8.173 -0.785 201 H VAL 566 HN VAL 566 0.282 -5.224 -3.416 202 HA VAL 566 HA VAL 566 -0.199 -2.799 -2.167 203 HB VAL 566 HB VAL 566 1.243 -3.253 -4.784 204 HG11 VAL 566 1HG1 VAL 566 1.260 -0.925 -2.872 205 HG12 VAL 566 2HG1 VAL 566 2.459 -1.163 -4.144 206 HG13 VAL 566 3HG1 VAL 566 0.763 -0.923 -4.563 207 HG21 VAL 566 3HG2 VAL 566 3.174 -3.691 -3.588 208 HG22 VAL 566 1HG2 VAL 566 2.565 -2.919 -2.124 209 HG23 VAL 566 2HG2 VAL 566 1.947 -4.497 -2.611 210 H GLU 567 HN GLU 567 -0.916 -3.666 -5.552 211 HA GLU 567 HA GLU 567 -2.104 -1.303 -6.350 212 HB2 GLU 567 3HB GLU 567 -2.694 -4.157 -7.149 213 HB3 GLU 567 2HB GLU 567 -3.414 -2.758 -7.959 214 HG2 GLU 567 3HG GLU 567 -1.168 -1.942 -8.541 215 HG3 GLU 567 2HG GLU 567 -0.476 -3.382 -7.783 216 HE2 GLU 567 HE GLU 567 -0.844 -4.056 -11.324 217 H ALA 568 HN ALA 568 -3.370 -3.831 -4.323 218 HA ALA 568 HA ALA 568 -6.097 -2.880 -4.464 219 HB1 ALA 568 1HB ALA 568 -6.667 -4.685 -3.091 220 HB2 ALA 568 2HB ALA 568 -5.351 -5.299 -4.091 221 HB3 ALA 568 3HB ALA 568 -5.039 -4.812 -2.426 222 H VAL 569 HN VAL 569 -3.715 -3.180 -1.819 223 HA VAL 569 HA VAL 569 -5.088 -1.727 0.098 224 HB VAL 569 HB VAL 569 -2.088 -1.728 -0.237 225 HG11 VAL 569 1HG1 VAL 569 -2.183 -1.613 2.277 226 HG12 VAL 569 2HG1 VAL 569 -2.733 -0.165 1.429 227 HG13 VAL 569 3HG1 VAL 569 -3.909 -1.286 2.118 228 HG21 VAL 569 3HG2 VAL 569 -2.723 -3.664 1.622 229 HG22 VAL 569 1HG2 VAL 569 -3.936 -3.892 0.361 230 HG23 VAL 569 2HG2 VAL 569 -2.220 -3.949 -0.045 231 H MET 570 HN MET 570 -3.073 -0.600 -2.549 232 HA MET 570 HA MET 570 -2.718 2.054 -1.765 233 HB2 MET 570 3HB MET 570 -2.802 0.658 -4.420 234 HB3 MET 570 2HB MET 570 -2.697 2.423 -4.357 235 HG2 MET 570 3HG MET 570 -0.747 1.617 -2.575 236 HG3 MET 570 2HG MET 570 -0.655 0.419 -3.869 237 HE1 MET 570 3HE MET 570 1.800 3.604 -3.581 238 HE2 MET 570 1HE MET 570 1.471 1.995 -2.936 239 HE3 MET 570 2HE MET 570 2.269 2.172 -4.500 240 H ARG 571 HN ARG 571 -5.501 0.416 -3.022 241 HA ARG 571 HA ARG 571 -6.909 2.784 -3.820 242 HB2 ARG 571 3HB ARG 571 -7.326 0.526 -4.795 243 HB3 ARG 571 2HB ARG 571 -8.019 0.033 -3.243 244 HG2 ARG 571 3HG ARG 571 -9.170 2.488 -4.389 245 HG3 ARG 571 2HG ARG 571 -9.454 1.004 -5.315 246 HD2 ARG 571 3HD ARG 571 -9.874 0.887 -2.369 247 HD3 ARG 571 2HD ARG 571 -11.059 1.774 -3.340 248 HE ARG 571 HE ARG 571 -10.718 -1.060 -3.221 249 HH11 ARG 571 1HH1 ARG 571 -11.730 1.575 -5.258 250 HH12 ARG 571 2HH1 ARG 571 -12.782 0.595 -6.225 251 HH21 ARG 571 1HH2 ARG 571 -12.099 -2.361 -4.486 252 HH22 ARG 571 2HH2 ARG 571 -12.991 -1.643 -5.786 253 H ARG 572 HN ARG 572 -6.179 1.409 -0.848 254 HA ARG 572 HA ARG 572 -8.590 2.415 0.466 255 HB2 ARG 572 3HB ARG 572 -7.646 0.149 1.017 256 HB3 ARG 572 2HB ARG 572 -6.247 0.977 1.716 257 HG2 ARG 572 3HG ARG 572 -7.465 0.694 3.611 258 HG3 ARG 572 2HG ARG 572 -8.134 2.244 3.073 259 HD2 ARG 572 3HD ARG 572 -9.371 -0.353 2.198 260 HD3 ARG 572 2HD ARG 572 -9.760 0.363 3.769 261 HE ARG 572 HE ARG 572 -10.100 2.375 1.909 262 HH11 ARG 572 1HH1 ARG 572 -11.442 -0.776 2.534 263 HH12 ARG 572 2HH1 ARG 572 -12.992 -0.393 1.862 264 HH21 ARG 572 1HH2 ARG 572 -12.137 2.892 1.024 265 HH22 ARG 572 2HH2 ARG 572 -13.386 1.694 1.003 266 H PHE 573 HN PHE 573 -5.084 2.888 0.430 267 HA PHE 573 HA PHE 573 -5.476 5.376 1.959 268 HB2 PHE 573 3HB PHE 573 -3.153 3.452 1.852 269 HB3 PHE 573 2HB PHE 573 -2.968 5.101 2.452 270 HD1 PHE 573 1HD PHE 573 -5.289 2.221 2.954 271 HD2 PHE 573 2HD PHE 573 -3.095 5.415 4.714 272 HE1 PHE 573 1HE PHE 573 -6.066 1.521 5.182 273 HE2 PHE 573 2HE PHE 573 -3.867 4.720 6.945 274 HZ PHE 573 HZ PHE 573 -5.353 2.770 7.180 275 HA PRO 574 HA PRO 574 -4.144 6.508 -2.354 276 HB2 PRO 574 3HB PRO 574 -6.010 8.485 -2.679 277 HB3 PRO 574 2HB PRO 574 -6.318 6.788 -3.046 278 HG2 PRO 574 3HG PRO 574 -6.998 8.354 -0.578 279 HG3 PRO 574 2HG PRO 574 -8.020 7.200 -1.515 280 HD2 PRO 574 3HD PRO 574 -6.784 6.515 0.804 281 HD3 PRO 574 2HD PRO 574 -7.030 5.368 -0.525 282 H GLN 575 HN GLN 575 -4.316 7.951 0.706 283 HA GLN 575 HA GLN 575 -2.817 10.308 -0.229 284 HB2 GLN 575 3HB GLN 575 -3.567 11.507 1.690 285 HB3 GLN 575 2HB GLN 575 -4.987 10.727 0.972 286 HG2 GLN 575 3HG GLN 575 -4.564 8.839 2.669 287 HG3 GLN 575 2HG GLN 575 -3.531 10.018 3.488 288 HE21 GLN 575 1HE2 GLN 575 -4.436 11.710 4.578 289 HE22 GLN 575 2HE2 GLN 575 -6.135 11.870 4.846 290 H LEU 576 HN LEU 576 -2.594 7.387 1.459 291 HA LEU 576 HA LEU 576 -0.001 8.206 2.592 292 HB2 LEU 576 3HB LEU 576 -2.292 7.112 3.919 293 HB3 LEU 576 2HB LEU 576 -0.956 5.949 3.997 294 HG LEU 576 HG LEU 576 -0.959 8.781 5.030 295 HD11 LEU 576 1HD1 LEU 576 -2.118 7.273 6.489 296 HD12 LEU 576 2HD1 LEU 576 -0.541 7.634 7.191 297 HD13 LEU 576 3HD1 LEU 576 -0.812 6.092 6.380 298 HD21 LEU 576 3HD2 LEU 576 1.334 7.792 5.955 299 HD22 LEU 576 1HD2 LEU 576 1.226 8.662 4.425 300 HD23 LEU 576 2HD2 LEU 576 1.251 6.899 4.436 301 H LEU 577 HN LEU 577 1.550 7.296 1.421 302 HA LEU 577 HA LEU 577 1.245 4.470 0.656 303 HB2 LEU 577 3HB LEU 577 2.308 6.768 -0.980 304 HB3 LEU 577 2HB LEU 577 2.670 5.074 -1.360 305 HG LEU 577 HG LEU 577 0.901 5.763 -2.789 306 HD11 LEU 577 1HD1 LEU 577 0.760 3.524 -1.535 307 HD12 LEU 577 2HD1 LEU 577 -0.677 4.104 -2.376 308 HD13 LEU 577 3HD1 LEU 577 -0.549 4.281 -0.626 309 HD21 LEU 577 3HD2 LEU 577 -0.972 6.414 -0.587 310 HD22 LEU 577 1HD2 LEU 577 -0.873 7.063 -2.224 311 HD23 LEU 577 2HD2 LEU 577 0.259 7.613 -0.988 312 H ASP 578 HN ASP 578 2.514 3.621 2.247 313 HA ASP 578 HA ASP 578 5.353 4.398 2.181 314 HB2 ASP 578 3HB ASP 578 3.501 4.240 4.480 315 HB3 ASP 578 2HB ASP 578 5.069 3.462 4.724 316 HD2 ASP 578 HD ASP 578 5.215 7.366 3.986 317 HA PRO 579 HA PRO 579 6.245 0.150 1.523 318 HB2 PRO 579 3HB PRO 579 8.708 -0.048 2.706 319 HB3 PRO 579 2HB PRO 579 8.425 0.791 1.181 320 HG2 PRO 579 3HG PRO 579 8.627 1.906 3.959 321 HG3 PRO 579 2HG PRO 579 9.382 2.502 2.433 322 HD2 PRO 579 3HD PRO 579 7.163 3.635 3.511 323 HD3 PRO 579 2HD PRO 579 7.435 3.540 1.763 324 H GLN 580 HN GLN 580 7.097 1.200 4.828 325 HA GLN 580 HA GLN 580 6.610 -1.433 5.894 326 HB2 GLN 580 3HB GLN 580 7.399 1.215 7.089 327 HB3 GLN 580 2HB GLN 580 6.963 -0.162 8.113 328 HG2 GLN 580 3HG GLN 580 8.904 -1.213 7.766 329 HG3 GLN 580 2HG GLN 580 8.917 -0.809 6.043 330 HE21 GLN 580 1HE2 GLN 580 9.043 1.800 5.873 331 HE22 GLN 580 2HE2 GLN 580 10.425 2.444 6.682 332 H GLN 581 HN GLN 581 5.097 1.768 6.244 333 HA GLN 581 HA GLN 581 3.051 1.145 7.969 334 HB2 GLN 581 3HB GLN 581 3.744 3.327 6.423 335 HB3 GLN 581 2HB GLN 581 2.158 2.866 5.782 336 HG2 GLN 581 3HG GLN 581 1.130 3.090 7.927 337 HG3 GLN 581 2HG GLN 581 2.705 3.315 8.704 338 HE21 GLN 581 1HE2 GLN 581 3.954 5.109 7.152 339 HE22 GLN 581 2HE2 GLN 581 3.090 6.605 7.122 340 H LEU 582 HN LEU 582 3.312 0.434 4.549 341 HA LEU 582 HA LEU 582 0.609 -0.347 4.161 342 HB2 LEU 582 3HB LEU 582 3.162 -0.589 2.660 343 HB3 LEU 582 2HB LEU 582 1.852 -1.705 2.232 344 HG LEU 582 HG LEU 582 1.601 1.301 2.214 345 HD11 LEU 582 1HD1 LEU 582 2.212 1.365 0.043 346 HD12 LEU 582 2HD1 LEU 582 1.576 -0.244 -0.299 347 HD13 LEU 582 3HD1 LEU 582 3.141 -0.065 0.494 348 HD21 LEU 582 3HD2 LEU 582 -0.573 0.728 2.286 349 HD22 LEU 582 1HD2 LEU 582 -0.257 -0.941 1.812 350 HD23 LEU 582 2HD2 LEU 582 -0.329 0.324 0.587 351 H ALA 583 HN ALA 583 3.553 -2.086 5.032 352 HA ALA 583 HA ALA 583 2.699 -4.702 4.807 353 HB1 ALA 583 1HB ALA 583 4.366 -5.256 6.501 354 HB2 ALA 583 2HB ALA 583 4.996 -4.080 5.347 355 HB3 ALA 583 3HB ALA 583 4.482 -3.555 6.951 356 H ALA 584 HN ALA 584 1.872 -2.315 7.211 357 HA ALA 584 HA ALA 584 0.788 -4.116 9.130 358 HB1 ALA 584 1HB ALA 584 1.107 -1.266 8.845 359 HB2 ALA 584 2HB ALA 584 -0.493 -1.664 9.471 360 HB3 ALA 584 3HB ALA 584 0.948 -2.239 10.309 361 H GLU 585 HN GLU 585 -0.735 -1.977 6.718 362 HA GLU 585 HA GLU 585 -3.371 -2.872 7.203 363 HB2 GLU 585 3HB GLU 585 -2.062 -1.446 4.892 364 HB3 GLU 585 2HB GLU 585 -3.775 -1.891 4.863 365 HG2 GLU 585 3HG GLU 585 -2.415 -0.064 6.842 366 HG3 GLU 585 2HG GLU 585 -3.547 0.396 5.561 367 HE2 GLU 585 HE GLU 585 -4.985 -0.912 8.971 368 H ILE 586 HN ILE 586 -0.994 -3.748 4.710 369 HA ILE 586 HA ILE 586 -2.516 -5.518 3.230 370 HB ILE 586 HB ILE 586 0.422 -5.758 3.884 371 HG12 ILE 586 1HG1 ILE 586 -0.767 -4.625 1.364 372 HG13 ILE 586 2HG1 ILE 586 -0.526 -3.604 2.792 373 HG21 ILE 586 1HG2 ILE 586 0.204 -6.825 1.442 374 HG22 ILE 586 2HG2 ILE 586 0.086 -7.779 2.920 375 HG23 ILE 586 3HG2 ILE 586 -1.379 -7.261 2.085 376 HD11 ILE 586 3HD1 ILE 586 1.856 -4.097 2.767 377 HD12 ILE 586 1HD1 ILE 586 1.633 -5.125 1.352 378 HD13 ILE 586 2HD1 ILE 586 1.329 -3.391 1.238 379 H LEU 587 HN LEU 587 -0.741 -6.086 6.231 380 HA LEU 587 HA LEU 587 -0.915 -8.841 6.399 381 HB2 LEU 587 3HB LEU 587 -0.759 -6.622 8.377 382 HB3 LEU 587 2HB LEU 587 -1.186 -8.235 8.974 383 HG LEU 587 HG LEU 587 1.278 -7.783 7.318 384 HD11 LEU 587 1HD1 LEU 587 0.760 -6.846 10.006 385 HD12 LEU 587 2HD1 LEU 587 2.143 -6.551 8.952 386 HD13 LEU 587 3HD1 LEU 587 2.092 -8.000 9.956 387 HD21 LEU 587 3HD2 LEU 587 1.869 -9.892 7.923 388 HD22 LEU 587 1HD2 LEU 587 0.117 -10.075 8.012 389 HD23 LEU 587 2HD2 LEU 587 1.049 -9.796 9.482 390 H SER 588 HN SER 588 -3.308 -6.403 7.326 391 HA SER 588 HA SER 588 -5.189 -8.373 8.260 392 HB2 SER 588 1HB SER 588 -5.249 -6.237 9.346 393 HB3 SER 588 2HB SER 588 -5.401 -5.394 7.795 394 HG SER 588 HG SER 588 -7.324 -7.120 8.971 395 H TYR 589 HN TYR 589 -4.882 -6.271 5.422 396 HA TYR 589 HA TYR 589 -7.277 -6.895 4.160 397 HB2 TYR 589 3HB TYR 589 -5.618 -5.113 3.494 398 HB3 TYR 589 2HB TYR 589 -4.654 -6.389 2.748 399 HD1 TYR 589 2HD TYR 589 -7.787 -4.488 2.508 400 HD2 TYR 589 1HD TYR 589 -5.325 -7.441 0.684 401 HE1 TYR 589 2HE TYR 589 -9.105 -4.300 0.440 402 HE2 TYR 589 1HE TYR 589 -6.636 -7.260 -1.390 403 HH TYR 589 HH TYR 589 -9.242 -6.441 -1.855 404 H LYS 590 HN LYS 590 -4.214 -8.624 4.196 405 HA LYS 590 HA LYS 590 -4.968 -10.537 2.210 406 HB2 LYS 590 3HB LYS 590 -2.597 -9.791 3.255 407 HB3 LYS 590 2HB LYS 590 -2.897 -11.254 4.205 408 HG2 LYS 590 3HG LYS 590 -3.100 -11.260 1.207 409 HG3 LYS 590 2HG LYS 590 -1.557 -11.490 2.047 410 HD2 LYS 590 3HD LYS 590 -2.214 -13.507 3.001 411 HD3 LYS 590 2HD LYS 590 -3.937 -13.144 2.798 412 HE2 LYS 590 3HE LYS 590 -2.401 -13.270 0.285 413 HE3 LYS 590 2HE LYS 590 -2.500 -14.793 1.181 414 HZ1 LYS 590 3HZ LYS 590 -4.331 -14.633 -0.340 415 HZ2 LYS 590 1HZ LYS 590 -4.791 -13.130 0.285 416 HZ3 LYS 590 2HZ LYS 590 -4.929 -14.521 1.238 417 H SER 591 HN SER 591 -4.558 -10.764 5.746 418 HA SER 591 HA SER 591 -5.485 -13.368 6.055 419 HB2 SER 591 1HB SER 591 -4.347 -12.122 7.844 420 HB3 SER 591 2HB SER 591 -5.755 -11.055 7.992 421 HG SER 591 HG SER 591 -5.689 -13.849 8.492 422 H GLN 592 HN GLN 592 -7.224 -10.424 5.495 423 HA GLN 592 HA GLN 592 -9.749 -11.095 6.467 424 HB2 GLN 592 3HB GLN 592 -8.765 -9.292 4.285 425 HB3 GLN 592 2HB GLN 592 -10.503 -9.571 4.470 426 HG2 GLN 592 3HG GLN 592 -9.118 -8.899 6.968 427 HG3 GLN 592 2HG GLN 592 -9.086 -7.629 5.737 428 HE21 GLN 592 1HE2 GLN 592 -10.776 -6.331 5.606 429 HE22 GLN 592 2HE2 GLN 592 -12.333 -6.623 6.298 430 H HIS 593 HN HIS 593 -8.132 -11.992 3.487 431 HA HIS 593 HA HIS 593 -10.513 -13.489 2.640 432 HB2 HIS 593 3HB HIS 593 -8.035 -12.643 1.121 433 HB3 HIS 593 2HB HIS 593 -9.296 -13.683 0.447 434 HD1 HIS 593 1HD HIS 593 -10.450 -12.253 -1.222 435 HD2 HIS 593 2HD HIS 593 -9.852 -10.272 2.381 436 HE1 HIS 593 1HE HIS 593 -11.642 -10.051 -1.460 437 HE2 HIS 593 2HE HIS 593 -11.277 -8.840 0.744 438 H LEU 594 HN LEU 594 -9.079 -14.518 4.791 439 HA LEU 594 HA LEU 594 -7.651 -16.803 3.602 440 HB2 LEU 594 3HB LEU 594 -6.433 -15.271 5.224 441 HB3 LEU 594 2HB LEU 594 -7.508 -15.923 6.473 442 HG LEU 594 HG LEU 594 -6.586 -18.231 5.686 443 HD11 LEU 594 1HD1 LEU 594 -4.566 -16.294 4.594 444 HD12 LEU 594 2HD1 LEU 594 -5.358 -17.637 3.771 445 HD13 LEU 594 3HD1 LEU 594 -4.154 -17.955 5.020 446 HD21 LEU 594 3HD2 LEU 594 -4.903 -18.127 7.372 447 HD22 LEU 594 1HD2 LEU 594 -6.235 -17.092 7.887 448 HD23 LEU 594 2HD2 LEU 594 -4.771 -16.375 7.216 449 H SER 595 HN SER 595 -10.128 -15.830 5.903 450 HA SER 595 HA SER 595 -10.776 -18.582 6.555 451 HB2 SER 595 1HB SER 595 -12.070 -15.968 7.389 452 HB3 SER 595 2HB SER 595 -12.525 -17.567 8.001 453 HG SER 595 HG SER 595 -10.221 -16.064 8.499 454 H GLU 596 HN GLU 596 -11.092 -18.627 4.004 455 HA GLU 596 HA GLU 596 -13.786 -17.829 3.241 456 HB2 GLU 596 3HB GLU 596 -11.775 -19.338 1.568 457 HB3 GLU 596 2HB GLU 596 -13.178 -18.417 1.008 458 HG2 GLU 596 3HG GLU 596 -12.064 -16.357 1.959 459 HG3 GLU 596 2HG GLU 596 -10.618 -17.356 2.162 460 HE2 GLU 596 HE GLU 596 -9.754 -16.829 -1.097 Start of MODEL 14 1 H1 GLY 540 HN GLY 540 7.903 18.033 -14.326 2 HA2 GLY 540 2HA GLY 540 6.772 16.117 -15.029 3 HA3 GLY 540 3HA GLY 540 6.052 15.984 -13.431 4 HA PRO 541 HA PRO 541 2.992 17.667 -16.614 5 HB2 PRO 541 3HB PRO 541 1.292 15.520 -16.627 6 HB3 PRO 541 2HB PRO 541 2.670 15.675 -17.713 7 HG2 PRO 541 3HG PRO 541 2.448 14.176 -15.125 8 HG3 PRO 541 2HG PRO 541 3.169 13.647 -16.691 9 HD2 PRO 541 3HD PRO 541 4.676 14.498 -14.598 10 HD3 PRO 541 2HD PRO 541 5.130 14.788 -16.286 11 H HIS 542 HN HIS 542 2.451 15.716 -13.695 12 HA HIS 542 HA HIS 542 0.154 17.410 -13.013 13 HB2 HIS 542 3HB HIS 542 1.071 14.697 -12.069 14 HB3 HIS 542 2HB HIS 542 -0.141 15.624 -11.177 15 HD1 HIS 542 1HD HIS 542 -2.460 15.974 -12.307 16 HD2 HIS 542 2HD HIS 542 0.143 13.531 -14.433 17 HE1 HIS 542 1HE HIS 542 -3.879 14.824 -14.036 18 HE2 HIS 542 2HE HIS 542 -2.289 13.331 -15.336 19 H MET 543 HN MET 543 0.042 18.546 -11.093 20 HA MET 543 HA MET 543 2.624 19.073 -9.828 21 HB2 MET 543 3HB MET 543 -0.011 20.553 -9.814 22 HB3 MET 543 2HB MET 543 1.360 21.013 -8.794 23 HG2 MET 543 3HG MET 543 1.820 20.715 -11.724 24 HG3 MET 543 2HG MET 543 0.946 22.132 -11.138 25 HE1 MET 543 3HE MET 543 3.498 24.492 -10.076 26 HE2 MET 543 1HE MET 543 1.906 24.116 -10.734 27 HE3 MET 543 2HE MET 543 2.248 23.816 -9.030 28 H GLY 544 HN GLY 544 3.121 18.168 -7.947 29 HA2 GLY 544 2HA GLY 544 1.706 18.155 -5.624 30 HA3 GLY 544 3HA GLY 544 1.143 16.707 -6.446 31 H ASP 545 HN ASP 545 2.848 17.272 -3.978 32 HA ASP 545 HA ASP 545 5.407 16.117 -4.628 33 HB2 ASP 545 3HB ASP 545 5.711 16.114 -2.119 34 HB3 ASP 545 2HB ASP 545 5.392 17.697 -2.840 35 HD2 ASP 545 HD ASP 545 2.348 18.002 -1.217 36 H LEU 546 HN LEU 546 2.312 14.993 -3.528 37 HA LEU 546 HA LEU 546 2.949 12.598 -2.304 38 HB2 LEU 546 3HB LEU 546 0.648 13.844 -2.986 39 HB3 LEU 546 2HB LEU 546 0.664 12.520 -4.166 40 HG LEU 546 HG LEU 546 0.756 12.212 -1.165 41 HD11 LEU 546 1HD1 LEU 546 -1.441 11.771 -3.178 42 HD12 LEU 546 2HD1 LEU 546 -1.422 12.927 -1.847 43 HD13 LEU 546 3HD1 LEU 546 -1.490 11.197 -1.510 44 HD21 LEU 546 3HD2 LEU 546 1.920 10.372 -1.987 45 HD22 LEU 546 1HD2 LEU 546 0.914 10.257 -3.431 46 HD23 LEU 546 2HD2 LEU 546 0.262 9.783 -1.863 47 H ALA 547 HN ALA 547 2.884 13.405 -5.716 48 HA ALA 547 HA ALA 547 2.981 10.831 -6.802 49 HB1 ALA 547 1HB ALA 547 2.837 12.079 -8.631 50 HB2 ALA 547 2HB ALA 547 3.325 13.520 -7.737 51 HB3 ALA 547 3HB ALA 547 4.548 12.470 -8.454 52 H LYS 548 HN LYS 548 5.482 12.834 -5.391 53 HA LYS 548 HA LYS 548 7.694 11.307 -6.320 54 HB2 LYS 548 3HB LYS 548 7.651 13.716 -5.391 55 HB3 LYS 548 2HB LYS 548 7.707 12.945 -3.799 56 HG2 LYS 548 3HG LYS 548 9.938 13.478 -4.321 57 HG3 LYS 548 2HG LYS 548 9.778 11.734 -4.597 58 HD2 LYS 548 3HD LYS 548 11.014 12.647 -6.433 59 HD3 LYS 548 2HD LYS 548 9.396 12.226 -7.020 60 HE2 LYS 548 3HE LYS 548 8.684 14.538 -6.889 61 HE3 LYS 548 2HE LYS 548 10.226 14.993 -6.153 62 HZ1 LYS 548 3HZ LYS 548 11.133 15.207 -8.148 63 HZ2 LYS 548 1HZ LYS 548 9.616 14.939 -8.845 64 HZ3 LYS 548 2HZ LYS 548 10.675 13.643 -8.601 65 H GLU 549 HN GLU 549 5.733 11.251 -3.384 66 HA GLU 549 HA GLU 549 7.276 9.408 -1.931 67 HB2 GLU 549 3HB GLU 549 4.760 10.733 -1.651 68 HB3 GLU 549 2HB GLU 549 4.532 9.012 -1.306 69 HG2 GLU 549 3HG GLU 549 6.466 10.896 0.037 70 HG3 GLU 549 2HG GLU 549 5.020 10.154 0.737 71 HE2 GLU 549 HE GLU 549 8.333 8.014 0.528 72 H ARG 550 HN ARG 550 4.251 8.809 -3.728 73 HA ARG 550 HA ARG 550 4.231 6.053 -3.546 74 HB2 ARG 550 3HB ARG 550 2.338 7.317 -4.400 75 HB3 ARG 550 2HB ARG 550 3.274 7.789 -5.827 76 HG2 ARG 550 3HG ARG 550 3.123 5.714 -6.806 77 HG3 ARG 550 2HG ARG 550 2.872 4.894 -5.257 78 HD2 ARG 550 3HD ARG 550 0.622 5.406 -5.175 79 HD3 ARG 550 2HD ARG 550 0.817 6.834 -6.200 80 HE ARG 550 HE ARG 550 1.420 4.577 -7.734 81 HH11 ARG 550 1HH1 ARG 550 -1.305 6.048 -6.144 82 HH12 ARG 550 2HH1 ARG 550 -2.468 5.403 -7.254 83 HH21 ARG 550 1HH2 ARG 550 -0.101 3.721 -9.203 84 HH22 ARG 550 2HH2 ARG 550 -1.781 4.078 -8.994 85 H ALA 551 HN ALA 551 5.947 8.115 -5.829 86 HA ALA 551 HA ALA 551 6.782 6.254 -7.694 87 HB1 ALA 551 1HB ALA 551 8.965 7.986 -7.255 88 HB2 ALA 551 2HB ALA 551 7.719 8.095 -8.498 89 HB3 ALA 551 3HB ALA 551 7.496 8.915 -6.952 90 H GLY 552 HN GLY 552 8.680 7.332 -4.860 91 HA2 GLY 552 2HA GLY 552 10.587 5.229 -5.139 92 HA3 GLY 552 3HA GLY 552 10.431 6.313 -3.765 93 H VAL 553 HN VAL 553 7.903 5.768 -2.870 94 HA VAL 553 HA VAL 553 8.237 3.569 -1.238 95 HB VAL 553 HB VAL 553 5.640 4.790 -2.180 96 HG11 VAL 553 1HG1 VAL 553 4.970 3.815 0.180 97 HG12 VAL 553 2HG1 VAL 553 4.870 2.832 -1.282 98 HG13 VAL 553 3HG1 VAL 553 6.249 2.661 -0.195 99 HG21 VAL 553 3HG2 VAL 553 7.596 6.002 -0.760 100 HG22 VAL 553 1HG2 VAL 553 5.880 6.381 -0.604 101 HG23 VAL 553 2HG2 VAL 553 6.648 5.281 0.541 102 H TYR 554 HN TYR 554 6.142 3.730 -4.124 103 HA TYR 554 HA TYR 554 5.320 1.103 -4.199 104 HB2 TYR 554 3HB TYR 554 4.403 2.802 -5.680 105 HB3 TYR 554 2HB TYR 554 5.946 2.932 -6.526 106 HD1 TYR 554 2HD TYR 554 3.115 0.634 -5.877 107 HD2 TYR 554 1HD TYR 554 6.518 1.468 -8.291 108 HE1 TYR 554 2HE TYR 554 2.423 -1.125 -7.452 109 HE2 TYR 554 1HE TYR 554 5.834 -0.287 -9.872 110 HH TYR 554 HH TYR 554 2.744 -1.801 -9.713 111 H THR 555 HN THR 555 8.289 2.506 -5.522 112 HA THR 555 HA THR 555 9.296 0.339 -6.904 113 HB THR 555 HB THR 555 10.977 2.204 -5.223 114 HG1 THR 555 1HG THR 555 11.005 3.263 -7.479 115 HG21 THR 555 3HG2 THR 555 12.744 1.293 -6.235 116 HG22 THR 555 1HG2 THR 555 12.005 1.494 -7.824 117 HG23 THR 555 2HG2 THR 555 11.667 0.050 -6.869 118 H LYS 556 HN LYS 556 9.486 1.031 -3.441 119 HA LYS 556 HA LYS 556 11.097 -1.277 -2.871 120 HB2 LYS 556 3HB LYS 556 9.893 0.953 -1.356 121 HB3 LYS 556 2HB LYS 556 10.045 -0.568 -0.461 122 HG2 LYS 556 3HG LYS 556 12.048 0.413 0.046 123 HG3 LYS 556 2HG LYS 556 12.491 -0.523 -1.393 124 HD2 LYS 556 3HD LYS 556 12.371 1.404 -2.798 125 HD3 LYS 556 2HD LYS 556 11.630 2.363 -1.506 126 HE2 LYS 556 3HE LYS 556 13.819 1.796 -0.191 127 HE3 LYS 556 2HE LYS 556 14.465 1.462 -1.805 128 HZ1 LYS 556 3HZ LYS 556 14.304 3.641 -2.429 129 HZ2 LYS 556 1HZ LYS 556 14.632 3.835 -0.780 130 HZ3 LYS 556 2HZ LYS 556 13.048 3.992 -1.351 131 H LEU 557 HN LEU 557 7.683 -0.504 -2.881 132 HA LEU 557 HA LEU 557 6.678 -2.614 -1.375 133 HB2 LEU 557 3HB LEU 557 5.649 -0.846 -3.514 134 HB3 LEU 557 2HB LEU 557 4.757 -2.351 -3.238 135 HG LEU 557 HG LEU 557 3.718 -0.568 -2.002 136 HD11 LEU 557 1HD1 LEU 557 4.808 -1.685 0.375 137 HD12 LEU 557 2HD1 LEU 557 4.713 -2.951 -0.848 138 HD13 LEU 557 3HD1 LEU 557 3.269 -2.039 -0.409 139 HD21 LEU 557 3HD2 LEU 557 5.488 1.003 -1.773 140 HD22 LEU 557 1HD2 LEU 557 6.464 -0.136 -0.845 141 HD23 LEU 557 2HD2 LEU 557 4.992 0.539 -0.145 142 H CYS 558 HN CYS 558 7.870 -2.543 -4.660 143 HA CYS 558 HA CYS 558 6.811 -5.013 -5.522 144 HB2 CYS 558 3HB CYS 558 9.333 -3.592 -6.400 145 HB3 CYS 558 2HB CYS 558 8.535 -4.906 -7.283 146 HG CYS 558 HG CYS 558 7.829 -1.653 -7.271 147 H GLY 559 HN GLY 559 9.238 -4.274 -3.270 148 HA2 GLY 559 2HA GLY 559 10.396 -6.978 -3.516 149 HA3 GLY 559 3HA GLY 559 11.211 -5.606 -2.781 150 H VAL 560 HN VAL 560 8.099 -5.387 -1.794 151 HA VAL 560 HA VAL 560 8.629 -6.972 0.636 152 HB VAL 560 HB VAL 560 6.937 -4.477 0.496 153 HG11 VAL 560 1HG1 VAL 560 8.067 -6.035 2.819 154 HG12 VAL 560 2HG1 VAL 560 7.161 -4.527 2.942 155 HG13 VAL 560 3HG1 VAL 560 6.377 -5.980 2.321 156 HG21 VAL 560 3HG2 VAL 560 9.146 -3.816 1.969 157 HG22 VAL 560 1HG2 VAL 560 9.837 -4.800 0.678 158 HG23 VAL 560 2HG2 VAL 560 8.878 -3.375 0.283 159 H PHE 561 HN PHE 561 6.372 -6.163 -1.871 160 HA PHE 561 HA PHE 561 4.722 -8.420 -1.172 161 HB2 PHE 561 3HB PHE 561 3.763 -5.590 -0.847 162 HB3 PHE 561 2HB PHE 561 2.628 -6.863 -1.305 163 HD1 PHE 561 2HD PHE 561 2.418 -8.899 0.195 164 HD2 PHE 561 1HD PHE 561 4.364 -5.311 1.400 165 HE1 PHE 561 2HE PHE 561 2.163 -9.558 2.551 166 HE2 PHE 561 1HE PHE 561 4.114 -5.963 3.759 167 HZ PHE 561 HZ PHE 561 3.012 -8.088 4.337 168 HA PRO 562 HA PRO 562 4.028 -8.567 -5.500 169 HB2 PRO 562 3HB PRO 562 1.488 -9.579 -5.654 170 HB3 PRO 562 2HB PRO 562 2.885 -10.530 -5.152 171 HG2 PRO 562 3HG PRO 562 0.826 -9.141 -3.470 172 HG3 PRO 562 2HG PRO 562 1.505 -10.802 -3.300 173 HD2 PRO 562 3HD PRO 562 2.320 -8.722 -1.758 174 HD3 PRO 562 2HD PRO 562 3.411 -10.024 -2.265 175 HA PRO 563 HA PRO 563 1.866 -5.074 -7.070 176 HB2 PRO 563 3HB PRO 563 0.860 -5.981 -9.449 177 HB3 PRO 563 2HB PRO 563 2.573 -5.679 -9.171 178 HG2 PRO 563 3HG PRO 563 1.053 -8.261 -9.040 179 HG3 PRO 563 2HG PRO 563 2.643 -7.911 -9.817 180 HD2 PRO 563 3HD PRO 563 2.429 -9.137 -7.404 181 HD3 PRO 563 2HD PRO 563 3.765 -8.045 -7.808 182 H HIS 564 HN HIS 564 -0.080 -8.037 -7.467 183 HA HIS 564 HA HIS 564 -2.582 -6.862 -7.669 184 HB2 HIS 564 3HB HIS 564 -3.468 -8.968 -7.398 185 HB3 HIS 564 2HB HIS 564 -1.804 -9.371 -7.831 186 HD1 HIS 564 1HD HIS 564 -0.258 -10.291 -5.953 187 HD2 HIS 564 2HD HIS 564 -4.192 -9.647 -4.782 188 HE1 HIS 564 1HE HIS 564 -0.507 -11.480 -3.751 189 HE2 HIS 564 2HE HIS 564 -2.910 -11.088 -3.034 190 H LEU 565 HN LEU 565 -0.542 -7.256 -4.901 191 HA LEU 565 HA LEU 565 -2.655 -6.767 -2.988 192 HB2 LEU 565 3HB LEU 565 0.231 -7.412 -2.902 193 HB3 LEU 565 2HB LEU 565 -0.393 -6.434 -1.563 194 HG LEU 565 HG LEU 565 -1.395 -9.164 -2.370 195 HD11 LEU 565 1HD1 LEU 565 0.456 -9.791 -1.264 196 HD12 LEU 565 2HD1 LEU 565 -0.492 -9.388 0.167 197 HD13 LEU 565 3HD1 LEU 565 0.655 -8.220 -0.489 198 HD21 LEU 565 3HD2 LEU 565 -2.481 -8.854 -0.011 199 HD22 LEU 565 1HD2 LEU 565 -3.266 -8.201 -1.449 200 HD23 LEU 565 2HD2 LEU 565 -2.334 -7.138 -0.394 201 H VAL 566 HN VAL 566 0.378 -5.061 -3.787 202 HA VAL 566 HA VAL 566 -0.141 -2.706 -2.428 203 HB VAL 566 HB VAL 566 1.376 -3.016 -5.023 204 HG11 VAL 566 1HG1 VAL 566 2.575 -0.969 -4.225 205 HG12 VAL 566 2HG1 VAL 566 0.894 -0.702 -4.689 206 HG13 VAL 566 3HG1 VAL 566 1.335 -0.799 -2.984 207 HG21 VAL 566 3HG2 VAL 566 2.007 -4.371 -2.883 208 HG22 VAL 566 1HG2 VAL 566 3.262 -3.544 -3.807 209 HG23 VAL 566 2HG2 VAL 566 2.639 -2.822 -2.323 210 H GLU 567 HN GLU 567 -0.754 -3.378 -5.878 211 HA GLU 567 HA GLU 567 -1.921 -0.974 -6.574 212 HB2 GLU 567 3HB GLU 567 -2.452 -3.780 -7.554 213 HB3 GLU 567 2HB GLU 567 -3.195 -2.353 -8.292 214 HG2 GLU 567 3HG GLU 567 -0.786 -1.476 -8.545 215 HG3 GLU 567 2HG GLU 567 -0.315 -3.157 -8.258 216 HE2 GLU 567 HE GLU 567 -0.781 -2.670 -11.834 217 H ALA 568 HN ALA 568 -3.246 -3.614 -4.738 218 HA ALA 568 HA ALA 568 -5.967 -2.657 -4.907 219 HB1 ALA 568 1HB ALA 568 -6.073 -4.907 -4.641 220 HB2 ALA 568 2HB ALA 568 -4.595 -4.975 -3.680 221 HB3 ALA 568 3HB ALA 568 -6.106 -4.449 -2.938 222 H VAL 569 HN VAL 569 -3.668 -3.105 -2.211 223 HA VAL 569 HA VAL 569 -5.108 -1.752 -0.266 224 HB VAL 569 HB VAL 569 -2.097 -1.766 -0.486 225 HG11 VAL 569 1HG1 VAL 569 -2.100 -1.538 1.896 226 HG12 VAL 569 2HG1 VAL 569 -3.136 -0.276 1.227 227 HG13 VAL 569 3HG1 VAL 569 -3.853 -1.709 1.962 228 HG21 VAL 569 3HG2 VAL 569 -3.942 -3.955 -0.185 229 HG22 VAL 569 1HG2 VAL 569 -2.186 -3.982 -0.334 230 HG23 VAL 569 2HG2 VAL 569 -2.933 -3.794 1.252 231 H MET 570 HN MET 570 -3.106 -0.506 -2.842 232 HA MET 570 HA MET 570 -2.661 2.088 -1.907 233 HB2 MET 570 3HB MET 570 -2.772 0.797 -4.595 234 HB3 MET 570 2HB MET 570 -2.777 2.565 -4.519 235 HG2 MET 570 3HG MET 570 -0.728 2.061 -2.851 236 HG3 MET 570 2HG MET 570 -0.622 0.649 -3.905 237 HE1 MET 570 3HE MET 570 2.228 2.653 -4.959 238 HE2 MET 570 1HE MET 570 1.528 4.007 -4.070 239 HE3 MET 570 2HE MET 570 1.485 2.384 -3.382 240 H ARG 571 HN ARG 571 -5.517 0.593 -3.187 241 HA ARG 571 HA ARG 571 -6.880 3.054 -3.775 242 HB2 ARG 571 3HB ARG 571 -7.355 0.897 -4.936 243 HB3 ARG 571 2HB ARG 571 -8.044 0.287 -3.424 244 HG2 ARG 571 3HG ARG 571 -9.290 2.773 -3.966 245 HG3 ARG 571 2HG ARG 571 -9.298 1.822 -5.462 246 HD2 ARG 571 3HD ARG 571 -10.023 -0.098 -3.717 247 HD3 ARG 571 2HD ARG 571 -10.670 1.327 -2.892 248 HE ARG 571 HE ARG 571 -12.275 1.505 -4.516 249 HH11 ARG 571 1HH1 ARG 571 -9.760 -0.633 -5.620 250 HH12 ARG 571 2HH1 ARG 571 -10.628 -1.138 -7.031 251 HH21 ARG 571 1HH2 ARG 571 -13.429 0.848 -6.371 252 HH22 ARG 571 2HH2 ARG 571 -12.715 -0.294 -7.458 253 H ARG 572 HN ARG 572 -6.089 1.487 -0.942 254 HA ARG 572 HA ARG 572 -8.483 2.356 0.495 255 HB2 ARG 572 3HB ARG 572 -7.565 0.078 0.894 256 HB3 ARG 572 2HB ARG 572 -6.088 0.823 1.522 257 HG2 ARG 572 3HG ARG 572 -7.119 0.525 3.506 258 HG3 ARG 572 2HG ARG 572 -7.884 2.062 3.072 259 HD2 ARG 572 3HD ARG 572 -9.155 -0.463 2.111 260 HD3 ARG 572 2HD ARG 572 -9.309 -0.035 3.822 261 HE ARG 572 HE ARG 572 -9.964 2.210 2.275 262 HH11 ARG 572 1HH1 ARG 572 -11.182 -0.961 3.034 263 HH12 ARG 572 2HH1 ARG 572 -12.841 -0.524 2.795 264 HH21 ARG 572 1HH2 ARG 572 -12.145 2.799 1.957 265 HH22 ARG 572 2HH2 ARG 572 -13.388 1.615 2.182 266 H PHE 573 HN PHE 573 -4.983 2.872 0.426 267 HA PHE 573 HA PHE 573 -5.379 5.263 2.102 268 HB2 PHE 573 3HB PHE 573 -3.038 3.366 1.898 269 HB3 PHE 573 2HB PHE 573 -2.891 4.969 2.620 270 HD1 PHE 573 1HD PHE 573 -4.853 1.827 2.907 271 HD2 PHE 573 2HD PHE 573 -3.372 5.306 4.861 272 HE1 PHE 573 1HE PHE 573 -5.649 0.950 5.064 273 HE2 PHE 573 2HE PHE 573 -4.164 4.435 7.020 274 HZ PHE 573 HZ PHE 573 -5.303 2.254 7.124 275 HA PRO 574 HA PRO 574 -3.994 6.584 -2.150 276 HB2 PRO 574 3HB PRO 574 -5.910 8.516 -2.454 277 HB3 PRO 574 2HB PRO 574 -6.154 6.826 -2.894 278 HG2 PRO 574 3HG PRO 574 -6.952 8.276 -0.392 279 HG3 PRO 574 2HG PRO 574 -7.911 7.129 -1.400 280 HD2 PRO 574 3HD PRO 574 -6.721 6.394 0.928 281 HD3 PRO 574 2HD PRO 574 -6.894 5.291 -0.450 282 H GLN 575 HN GLN 575 -4.292 7.903 0.955 283 HA GLN 575 HA GLN 575 -2.869 10.353 0.153 284 HB2 GLN 575 3HB GLN 575 -3.690 11.432 2.099 285 HB3 GLN 575 2HB GLN 575 -5.070 10.589 1.374 286 HG2 GLN 575 3HG GLN 575 -4.467 8.674 3.010 287 HG3 GLN 575 2HG GLN 575 -3.557 9.928 3.864 288 HE21 GLN 575 1HE2 GLN 575 -6.731 8.913 2.816 289 HE22 GLN 575 2HE2 GLN 575 -7.625 9.901 3.917 290 H LEU 576 HN LEU 576 -2.531 7.360 1.689 291 HA LEU 576 HA LEU 576 0.051 8.208 2.819 292 HB2 LEU 576 3HB LEU 576 -2.207 7.059 4.179 293 HB3 LEU 576 2HB LEU 576 -0.825 5.951 4.252 294 HG LEU 576 HG LEU 576 -0.910 8.799 5.245 295 HD11 LEU 576 1HD1 LEU 576 -0.839 6.118 6.600 296 HD12 LEU 576 2HD1 LEU 576 -2.025 7.408 6.786 297 HD13 LEU 576 3HD1 LEU 576 -0.392 7.614 7.420 298 HD21 LEU 576 3HD2 LEU 576 1.280 8.703 4.645 299 HD22 LEU 576 1HD2 LEU 576 1.336 6.941 4.707 300 HD23 LEU 576 2HD2 LEU 576 1.395 7.878 6.201 301 H LEU 577 HN LEU 577 1.485 7.379 1.428 302 HA LEU 577 HA LEU 577 1.192 4.545 0.674 303 HB2 LEU 577 3HB LEU 577 2.261 6.902 -0.859 304 HB3 LEU 577 2HB LEU 577 2.713 5.240 -1.278 305 HG LEU 577 HG LEU 577 0.953 5.934 -2.739 306 HD11 LEU 577 1HD1 LEU 577 0.930 3.623 -1.468 307 HD12 LEU 577 2HD1 LEU 577 -0.375 4.088 -2.560 308 HD13 LEU 577 3HD1 LEU 577 -0.580 4.262 -0.818 309 HD21 LEU 577 3HD2 LEU 577 0.121 7.703 -1.096 310 HD22 LEU 577 1HD2 LEU 577 -0.847 6.412 -0.384 311 HD23 LEU 577 2HD2 LEU 577 -1.089 6.867 -2.070 312 H ASP 578 HN ASP 578 2.419 3.607 2.246 313 HA ASP 578 HA ASP 578 5.274 4.326 2.256 314 HB2 ASP 578 3HB ASP 578 3.430 4.447 4.446 315 HB3 ASP 578 2HB ASP 578 4.611 3.170 4.766 316 HD2 ASP 578 HD ASP 578 6.970 5.480 5.615 317 HA PRO 579 HA PRO 579 6.101 0.093 1.445 318 HB2 PRO 579 3HB PRO 579 8.524 -0.213 2.688 319 HB3 PRO 579 2HB PRO 579 8.304 0.699 1.194 320 HG2 PRO 579 3HG PRO 579 8.451 1.687 4.024 321 HG3 PRO 579 2HG PRO 579 9.260 2.332 2.546 322 HD2 PRO 579 3HD PRO 579 7.034 3.466 3.612 323 HD3 PRO 579 2HD PRO 579 7.357 3.441 1.869 324 H GLN 580 HN GLN 580 6.687 1.064 4.820 325 HA GLN 580 HA GLN 580 6.282 -1.617 5.797 326 HB2 GLN 580 3HB GLN 580 6.766 1.052 7.105 327 HB3 GLN 580 2HB GLN 580 6.349 -0.380 8.058 328 HG2 GLN 580 3HG GLN 580 8.388 -1.280 7.856 329 HG3 GLN 580 2HG GLN 580 8.522 -0.815 6.154 330 HE21 GLN 580 1HE2 GLN 580 8.425 1.820 6.105 331 HE22 GLN 580 2HE2 GLN 580 9.690 2.528 7.043 332 H GLN 581 HN GLN 581 4.480 1.433 5.839 333 HA GLN 581 HA GLN 581 2.352 0.727 7.444 334 HB2 GLN 581 3HB GLN 581 2.542 2.522 5.033 335 HB3 GLN 581 2HB GLN 581 1.018 2.316 5.912 336 HG2 GLN 581 3HG GLN 581 2.043 3.133 7.958 337 HG3 GLN 581 2HG GLN 581 3.595 3.289 7.124 338 HE21 GLN 581 1HE2 GLN 581 3.898 5.436 7.222 339 HE22 GLN 581 2HE2 GLN 581 2.842 6.609 6.520 340 H LEU 582 HN LEU 582 2.513 0.405 3.895 341 HA LEU 582 HA LEU 582 0.085 -0.828 3.466 342 HB2 LEU 582 3HB LEU 582 2.737 -0.999 2.075 343 HB3 LEU 582 2HB LEU 582 1.380 -2.006 1.543 344 HG LEU 582 HG LEU 582 0.912 0.919 1.798 345 HD11 LEU 582 1HD1 LEU 582 3.151 0.097 0.451 346 HD12 LEU 582 2HD1 LEU 582 2.253 1.582 0.141 347 HD13 LEU 582 3HD1 LEU 582 1.930 0.140 -0.821 348 HD21 LEU 582 3HD2 LEU 582 -0.973 0.246 0.835 349 HD22 LEU 582 1HD2 LEU 582 -0.333 -1.383 0.610 350 HD23 LEU 582 2HD2 LEU 582 -0.041 -0.145 -0.612 351 H ALA 583 HN ALA 583 3.030 -2.173 4.761 352 HA ALA 583 HA ALA 583 2.430 -4.908 4.435 353 HB1 ALA 583 1HB ALA 583 4.272 -5.338 5.757 354 HB2 ALA 583 2HB ALA 583 4.642 -3.729 5.135 355 HB3 ALA 583 3HB ALA 583 4.009 -3.918 6.770 356 H ALA 584 HN ALA 584 1.628 -2.580 6.957 357 HA ALA 584 HA ALA 584 0.581 -4.439 8.816 358 HB1 ALA 584 1HB ALA 584 -0.727 -1.909 9.051 359 HB2 ALA 584 2HB ALA 584 0.500 -2.629 10.093 360 HB3 ALA 584 3HB ALA 584 0.983 -1.656 8.704 361 H GLU 585 HN GLU 585 -0.891 -2.550 6.213 362 HA GLU 585 HA GLU 585 -3.564 -3.332 6.789 363 HB2 GLU 585 3HB GLU 585 -2.497 -2.429 4.110 364 HB3 GLU 585 2HB GLU 585 -4.153 -2.288 4.723 365 HG2 GLU 585 3HG GLU 585 -1.746 -0.827 5.814 366 HG3 GLU 585 2HG GLU 585 -2.982 -0.145 4.747 367 HE2 GLU 585 HE GLU 585 -3.718 0.392 8.362 368 H ILE 586 HN ILE 586 -1.166 -4.439 4.415 369 HA ILE 586 HA ILE 586 -2.757 -6.367 3.156 370 HB ILE 586 HB ILE 586 0.237 -6.385 3.560 371 HG12 ILE 586 1HG1 ILE 586 -1.146 -5.637 1.012 372 HG13 ILE 586 2HG1 ILE 586 -1.045 -4.442 2.316 373 HG21 ILE 586 1HG2 ILE 586 -0.542 -8.592 2.969 374 HG22 ILE 586 2HG2 ILE 586 -1.497 -7.933 1.642 375 HG23 ILE 586 3HG2 ILE 586 0.264 -7.863 1.580 376 HD11 ILE 586 3HD1 ILE 586 0.823 -3.938 1.090 377 HD12 ILE 586 1HD1 ILE 586 1.486 -5.031 2.304 378 HD13 ILE 586 2HD1 ILE 586 1.142 -5.623 0.679 379 H LEU 587 HN LEU 587 -1.119 -6.402 6.210 380 HA LEU 587 HA LEU 587 -1.055 -9.227 6.559 381 HB2 LEU 587 3HB LEU 587 -0.688 -6.839 8.315 382 HB3 LEU 587 2HB LEU 587 -0.953 -8.422 9.065 383 HG LEU 587 HG LEU 587 1.257 -7.888 7.088 384 HD11 LEU 587 1HD1 LEU 587 1.972 -6.515 8.765 385 HD12 LEU 587 2HD1 LEU 587 2.598 -8.055 9.352 386 HD13 LEU 587 3HD1 LEU 587 1.101 -7.402 10.016 387 HD21 LEU 587 3HD2 LEU 587 0.241 -10.221 8.460 388 HD22 LEU 587 1HD2 LEU 587 1.936 -9.926 8.851 389 HD23 LEU 587 2HD2 LEU 587 1.438 -10.103 7.168 390 H SER 588 HN SER 588 -3.310 -6.677 7.514 391 HA SER 588 HA SER 588 -5.058 -8.509 8.887 392 HB2 SER 588 1HB SER 588 -4.839 -6.148 9.600 393 HB3 SER 588 2HB SER 588 -5.538 -5.637 8.053 394 HG SER 588 HG SER 588 -6.969 -7.489 9.575 395 H TYR 589 HN TYR 589 -4.976 -6.881 5.761 396 HA TYR 589 HA TYR 589 -7.553 -7.537 4.885 397 HB2 TYR 589 3HB TYR 589 -6.279 -5.891 3.697 398 HB3 TYR 589 2HB TYR 589 -4.997 -7.054 3.351 399 HD1 TYR 589 2HD TYR 589 -8.703 -6.876 2.844 400 HD2 TYR 589 1HD TYR 589 -4.898 -7.798 1.179 401 HE1 TYR 589 2HE TYR 589 -9.783 -7.464 0.713 402 HE2 TYR 589 1HE TYR 589 -5.967 -8.386 -0.957 403 HH TYR 589 HH TYR 589 -8.196 -9.128 -1.757 404 H LYS 590 HN LYS 590 -4.520 -9.327 4.743 405 HA LYS 590 HA LYS 590 -5.533 -11.454 3.135 406 HB2 LYS 590 3HB LYS 590 -3.077 -10.726 3.569 407 HB3 LYS 590 2HB LYS 590 -3.206 -11.745 5.011 408 HG2 LYS 590 3HG LYS 590 -2.300 -13.206 3.482 409 HG3 LYS 590 2HG LYS 590 -4.034 -13.557 3.351 410 HD2 LYS 590 3HD LYS 590 -4.244 -12.481 1.302 411 HD3 LYS 590 2HD LYS 590 -2.790 -11.503 1.564 412 HE2 LYS 590 3HE LYS 590 -2.115 -13.070 -0.037 413 HE3 LYS 590 2HE LYS 590 -1.512 -13.728 1.490 414 HZ1 LYS 590 3HZ LYS 590 -3.997 -14.798 1.294 415 HZ2 LYS 590 1HZ LYS 590 -2.555 -15.583 0.885 416 HZ3 LYS 590 2HZ LYS 590 -3.465 -14.808 -0.312 417 H SER 591 HN SER 591 -4.729 -11.251 6.605 418 HA SER 591 HA SER 591 -5.633 -13.764 7.356 419 HB2 SER 591 1HB SER 591 -4.333 -12.125 8.777 420 HB3 SER 591 2HB SER 591 -5.863 -11.279 9.063 421 HG SER 591 HG SER 591 -5.024 -13.137 10.533 422 H GLN 592 HN GLN 592 -7.421 -10.820 6.757 423 HA GLN 592 HA GLN 592 -9.859 -11.604 7.954 424 HB2 GLN 592 3HB GLN 592 -8.996 -9.513 6.015 425 HB3 GLN 592 2HB GLN 592 -10.725 -9.887 6.105 426 HG2 GLN 592 3HG GLN 592 -10.578 -9.511 8.592 427 HG3 GLN 592 2HG GLN 592 -8.947 -8.884 8.309 428 HE21 GLN 592 1HE2 GLN 592 -12.096 -8.508 6.709 429 HE22 GLN 592 2HE2 GLN 592 -12.071 -6.781 6.690 430 H HIS 593 HN HIS 593 -8.380 -12.307 4.890 431 HA HIS 593 HA HIS 593 -10.823 -13.715 4.040 432 HB2 HIS 593 3HB HIS 593 -8.550 -12.571 2.404 433 HB3 HIS 593 2HB HIS 593 -9.822 -13.596 1.733 434 HD1 HIS 593 1HD HIS 593 -11.165 -12.031 0.342 435 HD2 HIS 593 2HD HIS 593 -10.372 -10.486 4.116 436 HE1 HIS 593 1HE HIS 593 -12.481 -9.893 0.483 437 HE2 HIS 593 2HE HIS 593 -11.998 -8.948 2.790 438 H LEU 594 HN LEU 594 -9.148 -14.914 5.906 439 HA LEU 594 HA LEU 594 -7.552 -16.849 4.395 440 HB2 LEU 594 3HB LEU 594 -6.754 -15.595 6.514 441 HB3 LEU 594 2HB LEU 594 -7.783 -16.749 7.382 442 HG LEU 594 HG LEU 594 -6.454 -18.605 6.432 443 HD11 LEU 594 1HD1 LEU 594 -5.287 -18.166 4.587 444 HD12 LEU 594 2HD1 LEU 594 -4.096 -17.415 5.647 445 HD13 LEU 594 3HD1 LEU 594 -5.334 -16.426 4.870 446 HD21 LEU 594 3HD2 LEU 594 -5.957 -17.464 8.639 447 HD22 LEU 594 1HD2 LEU 594 -4.655 -16.620 7.799 448 HD23 LEU 594 2HD2 LEU 594 -4.633 -18.380 7.916 449 H SER 595 HN SER 595 -7.765 -19.131 4.844 450 HA SER 595 HA SER 595 -10.320 -19.966 6.000 451 HB2 SER 595 1HB SER 595 -9.483 -21.191 3.391 452 HB3 SER 595 2HB SER 595 -11.097 -21.076 4.112 453 HG SER 595 HG SER 595 -11.221 -18.957 3.520 454 H GLU 596 HN GLU 596 -10.423 -22.277 6.442 455 HA GLU 596 HA GLU 596 -8.187 -23.249 7.762 456 HB2 GLU 596 3HB GLU 596 -10.670 -23.972 7.904 457 HB3 GLU 596 2HB GLU 596 -10.252 -25.096 6.600 458 HG2 GLU 596 3HG GLU 596 -8.564 -25.039 9.062 459 HG3 GLU 596 2HG GLU 596 -10.141 -25.845 9.101 460 HE2 GLU 596 HE GLU 596 -7.179 -27.759 7.520 Start of MODEL 15 1 H1 GLY 540 HN GLY 540 -10.948 19.608 -3.648 2 HA2 GLY 540 2HA GLY 540 -11.301 21.750 -5.339 3 HA3 GLY 540 3HA GLY 540 -10.188 22.325 -4.107 4 HA PRO 541 HA PRO 541 -7.759 20.296 -7.517 5 HB2 PRO 541 3HB PRO 541 -5.994 22.367 -7.840 6 HB3 PRO 541 2HB PRO 541 -7.545 22.269 -8.675 7 HG2 PRO 541 3HG PRO 541 -6.821 23.764 -6.175 8 HG3 PRO 541 2HG PRO 541 -7.774 24.320 -7.601 9 HD2 PRO 541 3HD PRO 541 -8.934 23.542 -5.275 10 HD3 PRO 541 2HD PRO 541 -9.685 23.268 -6.857 11 H HIS 542 HN HIS 542 -6.872 18.758 -6.152 12 HA HIS 542 HA HIS 542 -5.140 19.390 -3.986 13 HB2 HIS 542 3HB HIS 542 -5.511 16.794 -5.505 14 HB3 HIS 542 2HB HIS 542 -4.642 16.962 -3.977 15 HD1 HIS 542 1HD HIS 542 -7.987 16.416 -5.328 16 HD2 HIS 542 2HD HIS 542 -6.349 17.751 -1.751 17 HE1 HIS 542 1HE HIS 542 -9.842 16.257 -3.639 18 HE2 HIS 542 2HE HIS 542 -8.842 17.071 -1.451 19 H MET 543 HN MET 543 -2.865 18.725 -3.842 20 HA MET 543 HA MET 543 -1.399 19.685 -6.137 21 HB2 MET 543 3HB MET 543 -0.584 18.823 -3.361 22 HB3 MET 543 2HB MET 543 0.592 19.285 -4.600 23 HG2 MET 543 3HG MET 543 -1.652 21.097 -3.726 24 HG3 MET 543 2HG MET 543 -0.067 21.075 -2.951 25 HE1 MET 543 3HE MET 543 -2.166 22.843 -4.854 26 HE2 MET 543 1HE MET 543 -1.243 23.817 -6.000 27 HE3 MET 543 2HE MET 543 -1.894 22.254 -6.494 28 H GLY 544 HN GLY 544 0.888 18.369 -6.297 29 HA2 GLY 544 2HA GLY 544 0.180 15.533 -6.703 30 HA3 GLY 544 3HA GLY 544 0.969 16.457 -7.972 31 H ASP 545 HN ASP 545 1.718 16.799 -4.564 32 HA ASP 545 HA ASP 545 4.494 16.322 -5.054 33 HB2 ASP 545 3HB ASP 545 3.240 16.412 -2.315 34 HB3 ASP 545 2HB ASP 545 4.851 16.945 -2.816 35 HD2 ASP 545 HD ASP 545 3.081 19.739 -4.457 36 H LEU 546 HN LEU 546 1.817 14.413 -3.936 37 HA LEU 546 HA LEU 546 3.139 12.374 -2.577 38 HB2 LEU 546 3HB LEU 546 0.580 12.591 -4.088 39 HB3 LEU 546 2HB LEU 546 1.165 10.975 -3.657 40 HG LEU 546 HG LEU 546 -0.492 11.925 -2.062 41 HD11 LEU 546 1HD1 LEU 546 2.084 10.757 -1.471 42 HD12 LEU 546 2HD1 LEU 546 0.501 10.408 -0.779 43 HD13 LEU 546 3HD1 LEU 546 1.480 11.717 -0.120 44 HD21 LEU 546 3HD2 LEU 546 0.261 14.269 -2.219 45 HD22 LEU 546 1HD2 LEU 546 1.739 13.831 -1.362 46 HD23 LEU 546 2HD2 LEU 546 0.178 13.692 -0.554 47 H ALA 547 HN ALA 547 3.033 13.106 -5.950 48 HA ALA 547 HA ALA 547 3.524 10.674 -7.153 49 HB1 ALA 547 1HB ALA 547 3.201 12.456 -8.608 50 HB2 ALA 547 2HB ALA 547 4.415 13.456 -7.810 51 HB3 ALA 547 3HB ALA 547 4.916 12.086 -8.801 52 H LYS 548 HN LYS 548 5.687 12.675 -5.270 53 HA LYS 548 HA LYS 548 8.081 11.301 -6.010 54 HB2 LYS 548 3HB LYS 548 7.302 13.436 -4.125 55 HB3 LYS 548 2HB LYS 548 8.689 12.456 -3.623 56 HG2 LYS 548 3HG LYS 548 9.385 14.463 -4.836 57 HG3 LYS 548 2HG LYS 548 9.846 12.978 -5.687 58 HD2 LYS 548 3HD LYS 548 8.013 13.207 -7.233 59 HD3 LYS 548 2HD LYS 548 7.372 14.585 -6.320 60 HE2 LYS 548 3HE LYS 548 10.162 14.674 -7.434 61 HE3 LYS 548 2HE LYS 548 8.766 15.014 -8.468 62 HZ1 LYS 548 3HZ LYS 548 10.033 16.745 -6.696 63 HZ2 LYS 548 1HZ LYS 548 8.491 16.451 -6.068 64 HZ3 LYS 548 2HZ LYS 548 8.664 17.048 -7.640 65 H GLU 549 HN GLU 549 5.815 11.093 -3.305 66 HA GLU 549 HA GLU 549 7.302 9.168 -1.837 67 HB2 GLU 549 3HB GLU 549 4.505 10.228 -1.748 68 HB3 GLU 549 2HB GLU 549 4.892 8.754 -0.847 69 HG2 GLU 549 3HG GLU 549 6.236 9.832 0.650 70 HG3 GLU 549 2HG GLU 549 6.669 11.104 -0.500 71 HE2 GLU 549 HE GLU 549 3.809 11.828 1.998 72 H ARG 550 HN ARG 550 4.283 8.814 -3.711 73 HA ARG 550 HA ARG 550 4.122 6.047 -3.623 74 HB2 ARG 550 3HB ARG 550 2.511 7.903 -4.591 75 HB3 ARG 550 2HB ARG 550 3.301 7.472 -6.116 76 HG2 ARG 550 3HG ARG 550 2.498 5.274 -6.066 77 HG3 ARG 550 2HG ARG 550 2.086 5.383 -4.347 78 HD2 ARG 550 3HD ARG 550 0.122 5.478 -5.918 79 HD3 ARG 550 2HD ARG 550 0.252 6.828 -4.783 80 HE ARG 550 HE ARG 550 0.464 8.232 -6.564 81 HH11 ARG 550 1HH1 ARG 550 1.304 5.012 -7.586 82 HH12 ARG 550 2HH1 ARG 550 1.487 5.448 -9.254 83 HH21 ARG 550 1HH2 ARG 550 0.703 8.819 -8.756 84 HH22 ARG 550 2HH2 ARG 550 1.147 7.614 -9.917 85 H ALA 551 HN ALA 551 6.178 8.090 -5.526 86 HA ALA 551 HA ALA 551 6.853 6.245 -7.560 87 HB1 ALA 551 1HB ALA 551 8.033 8.771 -6.520 88 HB2 ALA 551 2HB ALA 551 9.010 7.753 -7.577 89 HB3 ALA 551 3HB ALA 551 7.459 8.375 -8.139 90 H GLY 552 HN GLY 552 8.597 7.172 -4.584 91 HA2 GLY 552 2HA GLY 552 10.536 5.077 -4.916 92 HA3 GLY 552 3HA GLY 552 10.372 6.137 -3.524 93 H VAL 553 HN VAL 553 7.823 5.618 -2.681 94 HA VAL 553 HA VAL 553 8.093 3.382 -1.088 95 HB VAL 553 HB VAL 553 5.493 4.584 -2.052 96 HG11 VAL 553 1HG1 VAL 553 4.940 3.718 0.410 97 HG12 VAL 553 2HG1 VAL 553 4.727 2.710 -1.023 98 HG13 VAL 553 3HG1 VAL 553 6.171 2.533 -0.025 99 HG21 VAL 553 3HG2 VAL 553 5.860 6.334 -0.724 100 HG22 VAL 553 1HG2 VAL 553 6.326 5.293 0.622 101 HG23 VAL 553 2HG2 VAL 553 7.528 5.779 -0.575 102 H TYR 554 HN TYR 554 6.062 3.636 -4.011 103 HA TYR 554 HA TYR 554 5.221 1.005 -4.138 104 HB2 TYR 554 3HB TYR 554 4.288 2.755 -5.557 105 HB3 TYR 554 2HB TYR 554 5.821 2.896 -6.422 106 HD1 TYR 554 2HD TYR 554 3.057 0.510 -5.726 107 HD2 TYR 554 1HD TYR 554 6.284 1.561 -8.292 108 HE1 TYR 554 2HE TYR 554 2.331 -1.206 -7.332 109 HE2 TYR 554 1HE TYR 554 5.567 -0.152 -9.905 110 HH TYR 554 HH TYR 554 3.451 -1.354 -10.494 111 H THR 555 HN THR 555 8.146 2.465 -5.513 112 HA THR 555 HA THR 555 9.149 0.330 -6.938 113 HB THR 555 HB THR 555 10.729 2.317 -5.293 114 HG1 THR 555 1HG THR 555 9.979 2.331 -8.046 115 HG21 THR 555 3HG2 THR 555 12.573 1.256 -5.951 116 HG22 THR 555 1HG2 THR 555 12.094 1.463 -7.636 117 HG23 THR 555 2HG2 THR 555 11.589 0.027 -6.745 118 H LYS 556 HN LYS 556 9.474 0.995 -3.473 119 HA LYS 556 HA LYS 556 11.081 -1.335 -2.989 120 HB2 LYS 556 3HB LYS 556 9.932 0.874 -1.387 121 HB3 LYS 556 2HB LYS 556 10.187 -0.653 -0.529 122 HG2 LYS 556 3HG LYS 556 12.193 0.372 -0.144 123 HG3 LYS 556 2HG LYS 556 12.563 -0.520 -1.630 124 HD2 LYS 556 3HD LYS 556 12.236 1.445 -2.978 125 HD3 LYS 556 2HD LYS 556 11.644 2.352 -1.576 126 HE2 LYS 556 3HE LYS 556 13.825 2.222 -0.509 127 HE3 LYS 556 2HE LYS 556 14.423 1.206 -1.830 128 HZ1 LYS 556 3HZ LYS 556 13.328 3.859 -2.458 129 HZ2 LYS 556 1HZ LYS 556 14.509 2.965 -3.274 130 HZ3 LYS 556 2HZ LYS 556 14.891 3.745 -1.824 131 H LEU 557 HN LEU 557 7.681 -0.543 -2.897 132 HA LEU 557 HA LEU 557 6.703 -2.627 -1.337 133 HB2 LEU 557 3HB LEU 557 5.646 -0.795 -3.369 134 HB3 LEU 557 2HB LEU 557 4.783 -2.340 -3.267 135 HG LEU 557 HG LEU 557 3.661 -0.711 -1.903 136 HD11 LEU 557 1HD1 LEU 557 3.213 -2.314 -0.443 137 HD12 LEU 557 2HD1 LEU 557 4.739 -2.021 0.389 138 HD13 LEU 557 3HD1 LEU 557 4.673 -3.165 -0.950 139 HD21 LEU 557 3HD2 LEU 557 6.360 -0.314 -0.625 140 HD22 LEU 557 1HD2 LEU 557 4.850 0.260 0.081 141 HD23 LEU 557 2HD2 LEU 557 5.382 0.879 -1.482 142 H CYS 558 HN CYS 558 7.887 -2.623 -4.611 143 HA CYS 558 HA CYS 558 6.763 -5.076 -5.452 144 HB2 CYS 558 3HB CYS 558 9.366 -3.854 -6.376 145 HB3 CYS 558 2HB CYS 558 8.346 -4.992 -7.272 146 HG CYS 558 HG CYS 558 6.821 -2.127 -6.402 147 H GLY 559 HN GLY 559 9.287 -4.336 -3.277 148 HA2 GLY 559 2HA GLY 559 10.371 -7.070 -3.483 149 HA3 GLY 559 3HA GLY 559 11.206 -5.706 -2.755 150 H VAL 560 HN VAL 560 8.095 -5.446 -1.767 151 HA VAL 560 HA VAL 560 8.611 -7.021 0.672 152 HB VAL 560 HB VAL 560 6.945 -4.510 0.514 153 HG11 VAL 560 1HG1 VAL 560 7.173 -4.548 2.965 154 HG12 VAL 560 2HG1 VAL 560 6.355 -5.985 2.348 155 HG13 VAL 560 3HG1 VAL 560 8.046 -6.075 2.846 156 HG21 VAL 560 3HG2 VAL 560 8.866 -3.385 0.366 157 HG22 VAL 560 1HG2 VAL 560 9.202 -3.937 2.007 158 HG23 VAL 560 2HG2 VAL 560 9.826 -4.840 0.626 159 H PHE 561 HN PHE 561 6.366 -6.217 -1.844 160 HA PHE 561 HA PHE 561 4.693 -8.449 -1.123 161 HB2 PHE 561 3HB PHE 561 3.760 -5.606 -0.835 162 HB3 PHE 561 2HB PHE 561 2.615 -6.872 -1.283 163 HD1 PHE 561 1HD PHE 561 2.380 -8.891 0.238 164 HD2 PHE 561 2HD PHE 561 4.351 -5.306 1.413 165 HE1 PHE 561 1HE PHE 561 2.110 -9.520 2.600 166 HE2 PHE 561 2HE PHE 561 4.084 -5.929 3.777 167 HZ PHE 561 HZ PHE 561 2.962 -8.039 4.374 168 HA PRO 562 HA PRO 562 4.012 -8.645 -5.451 169 HB2 PRO 562 3HB PRO 562 1.465 -9.641 -5.601 170 HB3 PRO 562 2HB PRO 562 2.854 -10.594 -5.082 171 HG2 PRO 562 3HG PRO 562 0.801 -9.170 -3.423 172 HG3 PRO 562 2HG PRO 562 1.467 -10.835 -3.232 173 HD2 PRO 562 3HD PRO 562 2.293 -8.740 -1.713 174 HD3 PRO 562 2HD PRO 562 3.375 -10.057 -2.199 175 HA PRO 563 HA PRO 563 1.885 -5.152 -7.065 176 HB2 PRO 563 3HB PRO 563 0.895 -6.073 -9.445 177 HB3 PRO 563 2HB PRO 563 2.608 -5.777 -9.154 178 HG2 PRO 563 3HG PRO 563 1.074 -8.350 -9.016 179 HG3 PRO 563 2HG PRO 563 2.672 -8.015 -9.781 180 HD2 PRO 563 3HD PRO 563 2.432 -9.219 -7.360 181 HD3 PRO 563 2HD PRO 563 3.776 -8.137 -7.761 182 H HIS 564 HN HIS 564 -0.070 -8.110 -7.447 183 HA HIS 564 HA HIS 564 -2.566 -6.924 -7.684 184 HB2 HIS 564 3HB HIS 564 -3.469 -9.023 -7.381 185 HB3 HIS 564 2HB HIS 564 -1.810 -9.434 -7.828 186 HD1 HIS 564 1HD HIS 564 -0.257 -10.370 -5.970 187 HD2 HIS 564 2HD HIS 564 -4.163 -9.665 -4.744 188 HE1 HIS 564 1HE HIS 564 -0.488 -11.541 -3.757 189 HE2 HIS 564 2HE HIS 564 -2.876 -11.112 -3.007 190 H LEU 565 HN LEU 565 -0.549 -7.292 -4.897 191 HA LEU 565 HA LEU 565 -2.674 -6.785 -3.004 192 HB2 LEU 565 3HB LEU 565 0.213 -7.419 -2.894 193 HB3 LEU 565 2HB LEU 565 -0.423 -6.429 -1.568 194 HG LEU 565 HG LEU 565 -1.400 -9.174 -2.354 195 HD11 LEU 565 1HD1 LEU 565 -0.516 -9.274 0.235 196 HD12 LEU 565 2HD1 LEU 565 0.667 -8.215 -0.533 197 HD13 LEU 565 3HD1 LEU 565 0.381 -9.831 -1.178 198 HD21 LEU 565 3HD2 LEU 565 -3.296 -8.331 -1.434 199 HD22 LEU 565 1HD2 LEU 565 -2.437 -7.093 -0.518 200 HD23 LEU 565 2HD2 LEU 565 -2.458 -8.761 0.057 201 H VAL 566 HN VAL 566 0.356 -5.078 -3.812 202 HA VAL 566 HA VAL 566 -0.152 -2.714 -2.478 203 HB VAL 566 HB VAL 566 1.307 -3.011 -5.108 204 HG11 VAL 566 1HG1 VAL 566 2.552 -0.990 -4.258 205 HG12 VAL 566 2HG1 VAL 566 0.883 -0.705 -4.751 206 HG13 VAL 566 3HG1 VAL 566 1.288 -0.825 -3.039 207 HG21 VAL 566 3HG2 VAL 566 2.916 -2.749 -2.704 208 HG22 VAL 566 1HG2 VAL 566 1.902 -4.192 -2.683 209 HG23 VAL 566 2HG2 VAL 566 3.026 -3.924 -4.015 210 H GLU 567 HN GLU 567 -0.854 -3.438 -5.898 211 HA GLU 567 HA GLU 567 -2.018 -1.048 -6.625 212 HB2 GLU 567 3HB GLU 567 -2.529 -3.883 -7.498 213 HB3 GLU 567 2HB GLU 567 -3.429 -2.530 -8.202 214 HG2 GLU 567 3HG GLU 567 -1.111 -1.502 -8.674 215 HG3 GLU 567 2HG GLU 567 -0.509 -3.143 -8.398 216 HE2 GLU 567 HE GLU 567 -1.926 -4.308 -11.366 217 H ALA 568 HN ALA 568 -3.337 -3.632 -4.691 218 HA ALA 568 HA ALA 568 -6.034 -2.595 -4.773 219 HB1 ALA 568 1HB ALA 568 -6.023 -4.902 -4.565 220 HB2 ALA 568 2HB ALA 568 -4.705 -4.892 -3.392 221 HB3 ALA 568 3HB ALA 568 -6.319 -4.369 -2.910 222 H VAL 569 HN VAL 569 -3.648 -3.098 -2.163 223 HA VAL 569 HA VAL 569 -4.963 -1.724 -0.156 224 HB VAL 569 HB VAL 569 -1.969 -1.754 -0.547 225 HG11 VAL 569 1HG1 VAL 569 -1.948 -1.679 1.931 226 HG12 VAL 569 2HG1 VAL 569 -2.655 -0.238 1.196 227 HG13 VAL 569 3HG1 VAL 569 -3.699 -1.469 1.907 228 HG21 VAL 569 3HG2 VAL 569 -3.794 -3.928 -0.149 229 HG22 VAL 569 1HG2 VAL 569 -2.040 -3.963 -0.332 230 HG23 VAL 569 2HG2 VAL 569 -2.756 -3.753 1.267 231 H MET 570 HN MET 570 -3.022 -0.482 -2.798 232 HA MET 570 HA MET 570 -2.571 2.114 -1.893 233 HB2 MET 570 3HB MET 570 -2.825 0.865 -4.606 234 HB3 MET 570 2HB MET 570 -2.699 2.624 -4.463 235 HG2 MET 570 3HG MET 570 -0.660 1.682 -2.832 236 HG3 MET 570 2HG MET 570 -0.651 0.595 -4.223 237 HE1 MET 570 3HE MET 570 1.584 2.732 -3.165 238 HE2 MET 570 1HE MET 570 1.961 1.663 -4.516 239 HE3 MET 570 2HE MET 570 2.211 3.402 -4.671 240 H ARG 571 HN ARG 571 -5.460 0.611 -3.083 241 HA ARG 571 HA ARG 571 -6.851 3.051 -3.662 242 HB2 ARG 571 3HB ARG 571 -7.354 0.825 -4.715 243 HB3 ARG 571 2HB ARG 571 -8.033 0.318 -3.161 244 HG2 ARG 571 3HG ARG 571 -9.325 2.707 -3.649 245 HG3 ARG 571 2HG ARG 571 -9.200 1.960 -5.250 246 HD2 ARG 571 3HD ARG 571 -10.040 -0.190 -4.050 247 HD3 ARG 571 2HD ARG 571 -10.566 0.936 -2.792 248 HE ARG 571 HE ARG 571 -11.608 2.029 -5.025 249 HH11 ARG 571 1HH1 ARG 571 -11.690 -1.191 -3.702 250 HH12 ARG 571 2HH1 ARG 571 -13.243 -1.567 -4.373 251 HH21 ARG 571 1HH2 ARG 571 -13.653 1.545 -5.913 252 HH22 ARG 571 2HH2 ARG 571 -14.358 -0.010 -5.630 253 H ARG 572 HN ARG 572 -6.144 1.280 -0.832 254 HA ARG 572 HA ARG 572 -8.413 2.264 0.677 255 HB2 ARG 572 3HB ARG 572 -7.438 0.023 1.103 256 HB3 ARG 572 2HB ARG 572 -5.946 0.809 1.643 257 HG2 ARG 572 3HG ARG 572 -6.994 1.745 3.546 258 HG3 ARG 572 2HG ARG 572 -8.606 1.341 2.930 259 HD2 ARG 572 3HD ARG 572 -6.504 -0.712 3.649 260 HD3 ARG 572 2HD ARG 572 -7.784 -0.168 4.742 261 HE ARG 572 HE ARG 572 -8.750 -1.137 2.209 262 HH11 ARG 572 1HH1 ARG 572 -7.822 -1.997 5.452 263 HH12 ARG 572 2HH1 ARG 572 -8.769 -3.447 5.478 264 HH21 ARG 572 1HH2 ARG 572 -10.001 -3.044 2.231 265 HH22 ARG 572 2HH2 ARG 572 -10.008 -4.043 3.645 266 H PHE 573 HN PHE 573 -4.916 2.826 0.532 267 HA PHE 573 HA PHE 573 -5.314 5.252 2.156 268 HB2 PHE 573 3HB PHE 573 -2.865 3.501 1.826 269 HB3 PHE 573 2HB PHE 573 -2.855 5.058 2.654 270 HD1 PHE 573 2HD PHE 573 -4.397 1.690 2.758 271 HD2 PHE 573 1HD PHE 573 -3.452 5.245 4.899 272 HE1 PHE 573 2HE PHE 573 -5.077 0.602 4.857 273 HE2 PHE 573 1HE PHE 573 -4.131 4.163 7.003 274 HZ PHE 573 HZ PHE 573 -4.945 1.838 6.983 275 HA PRO 574 HA PRO 574 -4.219 6.626 -2.140 276 HB2 PRO 574 3HB PRO 574 -6.086 8.627 -2.232 277 HB3 PRO 574 2HB PRO 574 -6.430 6.955 -2.671 278 HG2 PRO 574 3HG PRO 574 -6.937 8.385 -0.084 279 HG3 PRO 574 2HG PRO 574 -8.026 7.289 -1.013 280 HD2 PRO 574 3HD PRO 574 -6.649 6.473 1.178 281 HD3 PRO 574 2HD PRO 574 -6.990 5.401 -0.191 282 H GLN 575 HN GLN 575 -4.319 7.995 0.996 283 HA GLN 575 HA GLN 575 -2.742 10.311 0.089 284 HB2 GLN 575 3HB GLN 575 -3.477 11.530 1.992 285 HB3 GLN 575 2HB GLN 575 -4.914 10.774 1.285 286 HG2 GLN 575 3HG GLN 575 -4.824 9.000 2.968 287 HG3 GLN 575 2HG GLN 575 -3.396 9.764 3.679 288 HE21 GLN 575 1HE2 GLN 575 -3.615 11.679 4.831 289 HE22 GLN 575 2HE2 GLN 575 -5.147 12.245 5.393 290 H LEU 576 HN LEU 576 -2.627 7.374 1.759 291 HA LEU 576 HA LEU 576 -0.060 8.125 2.996 292 HB2 LEU 576 3HB LEU 576 -2.384 6.930 4.150 293 HB3 LEU 576 2HB LEU 576 -1.063 5.750 4.174 294 HG LEU 576 HG LEU 576 -1.073 8.488 5.438 295 HD11 LEU 576 1HD1 LEU 576 -0.732 7.143 7.507 296 HD12 LEU 576 2HD1 LEU 576 -1.037 5.691 6.554 297 HD13 LEU 576 3HD1 LEU 576 -2.302 6.905 6.739 298 HD21 LEU 576 3HD2 LEU 576 1.137 8.451 5.088 299 HD22 LEU 576 1HD2 LEU 576 1.128 6.751 4.620 300 HD23 LEU 576 2HD2 LEU 576 1.171 7.195 6.327 301 H LEU 577 HN LEU 577 1.555 7.322 1.832 302 HA LEU 577 HA LEU 577 1.315 4.565 0.826 303 HB2 LEU 577 3HB LEU 577 2.395 7.017 -0.546 304 HB3 LEU 577 2HB LEU 577 2.900 5.386 -1.022 305 HG LEU 577 HG LEU 577 1.188 6.130 -2.521 306 HD11 LEU 577 1HD1 LEU 577 -0.186 4.276 -2.465 307 HD12 LEU 577 2HD1 LEU 577 -0.298 4.281 -0.705 308 HD13 LEU 577 3HD1 LEU 577 1.187 3.746 -1.492 309 HD21 LEU 577 3HD2 LEU 577 -0.854 6.341 -0.371 310 HD22 LEU 577 1HD2 LEU 577 -0.777 7.139 -1.941 311 HD23 LEU 577 2HD2 LEU 577 0.247 7.697 -0.618 312 H ASP 578 HN ASP 578 2.494 3.583 2.409 313 HA ASP 578 HA ASP 578 5.328 4.360 2.576 314 HB2 ASP 578 3HB ASP 578 3.345 4.075 4.731 315 HB3 ASP 578 2HB ASP 578 4.850 3.188 5.012 316 HD2 ASP 578 HD ASP 578 5.304 7.113 4.588 317 HA PRO 579 HA PRO 579 6.241 0.180 1.586 318 HB2 PRO 579 3HB PRO 579 8.682 -0.094 2.799 319 HB3 PRO 579 2HB PRO 579 8.424 0.856 1.336 320 HG2 PRO 579 3HG PRO 579 8.565 1.763 4.193 321 HG3 PRO 579 2HG PRO 579 9.344 2.474 2.731 322 HD2 PRO 579 3HD PRO 579 7.096 3.511 3.847 323 HD3 PRO 579 2HD PRO 579 7.405 3.549 2.101 324 H GLN 580 HN GLN 580 6.956 1.014 4.980 325 HA GLN 580 HA GLN 580 6.534 -1.698 5.853 326 HB2 GLN 580 3HB GLN 580 7.120 0.897 7.270 327 HB3 GLN 580 2HB GLN 580 6.745 -0.587 8.160 328 HG2 GLN 580 3HG GLN 580 8.773 -1.454 7.829 329 HG3 GLN 580 2HG GLN 580 8.799 -0.959 6.130 330 HE21 GLN 580 1HE2 GLN 580 8.713 1.676 6.131 331 HE22 GLN 580 2HE2 GLN 580 10.039 2.362 6.998 332 H GLN 581 HN GLN 581 4.868 1.408 6.360 333 HA GLN 581 HA GLN 581 2.774 0.578 7.930 334 HB2 GLN 581 3HB GLN 581 3.440 2.889 6.555 335 HB3 GLN 581 2HB GLN 581 1.890 2.412 5.841 336 HG2 GLN 581 3HG GLN 581 0.777 2.500 7.928 337 HG3 GLN 581 2HG GLN 581 2.307 2.629 8.806 338 HE21 GLN 581 1HE2 GLN 581 3.656 4.549 7.523 339 HE22 GLN 581 2HE2 GLN 581 2.807 6.051 7.584 340 H LEU 582 HN LEU 582 2.895 0.575 4.373 341 HA LEU 582 HA LEU 582 0.370 -0.396 3.833 342 HB2 LEU 582 3HB LEU 582 3.011 -0.596 2.457 343 HB3 LEU 582 2HB LEU 582 1.662 -1.576 1.858 344 HG LEU 582 HG LEU 582 1.520 1.418 2.161 345 HD11 LEU 582 1HD1 LEU 582 2.900 -0.169 0.183 346 HD12 LEU 582 2HD1 LEU 582 2.872 1.579 0.408 347 HD13 LEU 582 3HD1 LEU 582 1.612 0.792 -0.542 348 HD21 LEU 582 3HD2 LEU 582 -0.256 0.860 0.293 349 HD22 LEU 582 1HD2 LEU 582 -0.657 0.741 2.006 350 HD23 LEU 582 2HD2 LEU 582 -0.259 -0.713 1.091 351 H ALA 583 HN ALA 583 3.202 -2.117 4.960 352 HA ALA 583 HA ALA 583 2.379 -4.744 4.435 353 HB1 ALA 583 1HB ALA 583 4.662 -3.906 5.215 354 HB2 ALA 583 2HB ALA 583 3.994 -3.973 6.845 355 HB3 ALA 583 3HB ALA 583 4.093 -5.440 5.872 356 H ALA 584 HN ALA 584 2.012 -2.796 7.397 357 HA ALA 584 HA ALA 584 0.668 -4.644 8.958 358 HB1 ALA 584 1HB ALA 584 1.266 -1.885 9.093 359 HB2 ALA 584 2HB ALA 584 -0.452 -2.071 9.453 360 HB3 ALA 584 3HB ALA 584 0.748 -2.958 10.395 361 H GLU 585 HN GLU 585 -0.561 -2.556 6.412 362 HA GLU 585 HA GLU 585 -3.320 -3.122 6.942 363 HB2 GLU 585 3HB GLU 585 -2.027 -2.001 4.443 364 HB3 GLU 585 2HB GLU 585 -3.754 -1.954 4.839 365 HG2 GLU 585 3HG GLU 585 -3.537 -0.224 6.261 366 HG3 GLU 585 2HG GLU 585 -1.962 -0.776 6.851 367 HE2 GLU 585 HE GLU 585 -0.716 1.883 5.047 368 H ILE 586 HN ILE 586 -0.959 -4.217 4.527 369 HA ILE 586 HA ILE 586 -2.673 -5.904 3.087 370 HB ILE 586 HB ILE 586 0.305 -6.161 3.512 371 HG12 ILE 586 1HG1 ILE 586 -0.992 -5.141 1.015 372 HG13 ILE 586 2HG1 ILE 586 -0.833 -4.054 2.404 373 HG21 ILE 586 1HG2 ILE 586 -0.531 -8.263 2.752 374 HG22 ILE 586 2HG2 ILE 586 -1.535 -7.484 1.531 375 HG23 ILE 586 3HG2 ILE 586 0.222 -7.457 1.377 376 HD11 ILE 586 3HD1 ILE 586 1.637 -4.676 2.403 377 HD12 ILE 586 1HD1 ILE 586 1.341 -5.342 0.797 378 HD13 ILE 586 2HD1 ILE 586 1.057 -3.628 1.109 379 H LEU 587 HN LEU 587 -0.447 -6.652 5.761 380 HA LEU 587 HA LEU 587 -0.868 -9.373 5.951 381 HB2 LEU 587 3HB LEU 587 -0.100 -7.232 7.868 382 HB3 LEU 587 2HB LEU 587 -0.567 -8.807 8.534 383 HG LEU 587 HG LEU 587 1.592 -8.493 6.458 384 HD11 LEU 587 1HD1 LEU 587 2.996 -7.719 7.985 385 HD12 LEU 587 2HD1 LEU 587 2.628 -9.078 9.046 386 HD13 LEU 587 3HD1 LEU 587 1.666 -7.603 9.138 387 HD21 LEU 587 3HD2 LEU 587 2.027 -10.701 6.766 388 HD22 LEU 587 1HD2 LEU 587 0.304 -10.718 7.138 389 HD23 LEU 587 2HD2 LEU 587 1.488 -10.691 8.445 390 H SER 588 HN SER 588 -2.872 -6.734 7.113 391 HA SER 588 HA SER 588 -4.660 -8.459 8.569 392 HB2 SER 588 1HB SER 588 -4.168 -6.011 9.109 393 HB3 SER 588 2HB SER 588 -5.209 -5.611 7.731 394 HG SER 588 HG SER 588 -5.922 -6.295 10.223 395 H TYR 589 HN TYR 589 -4.901 -6.521 5.591 396 HA TYR 589 HA TYR 589 -7.473 -7.246 4.846 397 HB2 TYR 589 3HB TYR 589 -6.338 -5.460 3.708 398 HB3 TYR 589 2HB TYR 589 -5.074 -6.556 3.144 399 HD1 TYR 589 1HD TYR 589 -8.806 -6.324 2.969 400 HD2 TYR 589 2HD TYR 589 -5.173 -7.210 0.940 401 HE1 TYR 589 1HE TYR 589 -10.071 -6.749 0.903 402 HE2 TYR 589 2HE TYR 589 -6.427 -7.636 -1.132 403 HH TYR 589 HH TYR 589 -9.737 -6.813 -1.480 404 H LYS 590 HN LYS 590 -4.444 -8.963 4.450 405 HA LYS 590 HA LYS 590 -5.388 -10.927 2.638 406 HB2 LYS 590 3HB LYS 590 -2.954 -10.272 3.301 407 HB3 LYS 590 2HB LYS 590 -3.183 -11.446 4.606 408 HG2 LYS 590 3HG LYS 590 -2.973 -13.205 3.242 409 HG3 LYS 590 2HG LYS 590 -3.956 -12.452 1.975 410 HD2 LYS 590 3HD LYS 590 -2.125 -11.273 1.081 411 HD3 LYS 590 2HD LYS 590 -1.147 -11.545 2.533 412 HE2 LYS 590 3HE LYS 590 -2.103 -13.878 0.901 413 HE3 LYS 590 2HE LYS 590 -0.685 -12.947 0.393 414 HZ1 LYS 590 3HZ LYS 590 -0.520 -15.016 2.018 415 HZ2 LYS 590 1HZ LYS 590 -0.755 -13.807 3.177 416 HZ3 LYS 590 2HZ LYS 590 0.551 -13.709 2.107 417 H SER 591 HN SER 591 -4.788 -11.081 6.150 418 HA SER 591 HA SER 591 -5.891 -13.651 6.498 419 HB2 SER 591 1HB SER 591 -5.773 -11.472 8.599 420 HB3 SER 591 2HB SER 591 -5.764 -13.226 8.855 421 HG SER 591 HG SER 591 -3.747 -12.996 7.397 422 H GLN 592 HN GLN 592 -7.319 -10.505 6.261 423 HA GLN 592 HA GLN 592 -9.742 -10.893 7.573 424 HB2 GLN 592 3HB GLN 592 -8.875 -9.178 5.270 425 HB3 GLN 592 2HB GLN 592 -10.587 -9.244 5.723 426 HG2 GLN 592 3HG GLN 592 -8.655 -8.760 7.914 427 HG3 GLN 592 2HG GLN 592 -8.875 -7.463 6.730 428 HE21 GLN 592 1HE2 GLN 592 -10.636 -6.210 6.841 429 HE22 GLN 592 2HE2 GLN 592 -11.937 -6.432 7.956 430 H HIS 593 HN HIS 593 -8.673 -11.956 4.414 431 HA HIS 593 HA HIS 593 -11.328 -13.087 3.873 432 HB2 HIS 593 3HB HIS 593 -8.946 -12.531 2.101 433 HB3 HIS 593 2HB HIS 593 -10.319 -13.506 1.566 434 HD1 HIS 593 1HD HIS 593 -11.292 -11.946 -0.151 435 HD2 HIS 593 2HD HIS 593 -10.735 -10.125 3.542 436 HE1 HIS 593 1HE HIS 593 -12.423 -9.707 -0.328 437 HE2 HIS 593 2HE HIS 593 -12.083 -8.593 1.930 438 H LEU 594 HN LEU 594 -9.787 -14.308 5.868 439 HA LEU 594 HA LEU 594 -8.944 -16.810 4.561 440 HB2 LEU 594 3HB LEU 594 -7.299 -15.377 5.980 441 HB3 LEU 594 2HB LEU 594 -8.181 -16.064 7.356 442 HG LEU 594 HG LEU 594 -7.605 -18.351 6.359 443 HD11 LEU 594 1HD1 LEU 594 -6.286 -16.573 4.475 444 HD12 LEU 594 2HD1 LEU 594 -6.664 -18.289 4.341 445 HD13 LEU 594 3HD1 LEU 594 -5.193 -17.772 5.167 446 HD21 LEU 594 3HD2 LEU 594 -5.088 -17.023 7.161 447 HD22 LEU 594 1HD2 LEU 594 -5.857 -18.479 7.792 448 HD23 LEU 594 2HD2 LEU 594 -6.448 -16.889 8.276 449 H SER 595 HN SER 595 -9.878 -18.699 5.151 450 HA SER 595 HA SER 595 -12.208 -18.519 6.897 451 HB2 SER 595 1HB SER 595 -11.267 -20.750 5.068 452 HB3 SER 595 2HB SER 595 -12.785 -20.744 5.980 453 HG SER 595 HG SER 595 -13.431 -19.920 4.111 454 H GLU 596 HN GLU 596 -12.650 -20.461 8.313 455 HA GLU 596 HA GLU 596 -10.173 -21.487 9.523 456 HB2 GLU 596 3HB GLU 596 -12.593 -20.501 11.051 457 HB3 GLU 596 2HB GLU 596 -11.106 -21.159 11.749 458 HG2 GLU 596 3HG GLU 596 -11.344 -18.602 10.164 459 HG3 GLU 596 2HG GLU 596 -11.154 -18.739 11.917 460 HE2 GLU 596 HE GLU 596 -7.801 -20.027 11.270 Start of MODEL 16 1 H1 GLY 540 HN GLY 540 -1.440 19.207 -12.368 2 HA2 GLY 540 2HA GLY 540 -0.060 21.279 -12.765 3 HA3 GLY 540 3HA GLY 540 -1.754 21.469 -13.188 4 HA PRO 541 HA PRO 541 -2.240 24.755 -10.336 5 HB2 PRO 541 3HB PRO 541 -4.663 24.250 -9.163 6 HB3 PRO 541 2HB PRO 541 -4.482 24.776 -10.837 7 HG2 PRO 541 3HG PRO 541 -4.845 22.007 -9.741 8 HG3 PRO 541 2HG PRO 541 -5.660 22.794 -11.144 9 HD2 PRO 541 3HD PRO 541 -3.613 21.035 -11.435 10 HD3 PRO 541 2HD PRO 541 -3.861 22.405 -12.532 11 H HIS 542 HN HIS 542 -3.022 21.612 -8.865 12 HA HIS 542 HA HIS 542 -2.244 22.590 -6.237 13 HB2 HIS 542 3HB HIS 542 -2.912 20.312 -5.470 14 HB3 HIS 542 2HB HIS 542 -4.203 21.189 -6.298 15 HD1 HIS 542 1HD HIS 542 -5.530 19.468 -7.485 16 HD2 HIS 542 2HD HIS 542 -1.444 18.868 -7.945 17 HE1 HIS 542 1HE HIS 542 -5.309 17.541 -9.087 18 HE2 HIS 542 2HE HIS 542 -2.812 17.174 -9.368 19 H MET 543 HN MET 543 -0.784 21.195 -4.897 20 HA MET 543 HA MET 543 1.733 20.956 -6.163 21 HB2 MET 543 3HB MET 543 0.898 19.776 -3.505 22 HB3 MET 543 2HB MET 543 2.544 20.154 -4.033 23 HG2 MET 543 3HG MET 543 1.609 22.589 -4.266 24 HG3 MET 543 2HG MET 543 0.373 21.992 -3.155 25 HE1 MET 543 3HE MET 543 1.554 24.283 -2.275 26 HE2 MET 543 1HE MET 543 1.064 23.470 -0.788 27 HE3 MET 543 2HE MET 543 2.678 24.166 -0.922 28 H GLY 544 HN GLY 544 3.083 18.955 -6.108 29 HA2 GLY 544 2HA GLY 544 1.479 16.527 -6.581 30 HA3 GLY 544 3HA GLY 544 2.683 17.038 -7.754 31 H ASP 545 HN ASP 545 2.745 16.912 -4.199 32 HA ASP 545 HA ASP 545 5.384 15.760 -4.247 33 HB2 ASP 545 3HB ASP 545 3.614 16.077 -1.818 34 HB3 ASP 545 2HB ASP 545 5.380 16.023 -1.885 35 HD2 ASP 545 HD ASP 545 3.570 19.449 -2.651 36 H LEU 546 HN LEU 546 2.126 14.622 -3.913 37 HA LEU 546 HA LEU 546 2.624 12.164 -2.636 38 HB2 LEU 546 3HB LEU 546 0.426 13.444 -4.066 39 HB3 LEU 546 2HB LEU 546 0.480 11.690 -4.303 40 HG LEU 546 HG LEU 546 0.300 13.116 -1.649 41 HD11 LEU 546 1HD1 LEU 546 -1.697 11.733 -3.399 42 HD12 LEU 546 2HD1 LEU 546 -1.810 13.300 -2.598 43 HD13 LEU 546 3HD1 LEU 546 -1.923 11.816 -1.653 44 HD21 LEU 546 3HD2 LEU 546 -0.114 10.787 -0.802 45 HD22 LEU 546 1HD2 LEU 546 1.540 11.115 -1.319 46 HD23 LEU 546 2HD2 LEU 546 0.456 10.193 -2.363 47 H ALA 547 HN ALA 547 3.260 13.251 -5.826 48 HA ALA 547 HA ALA 547 3.293 10.669 -7.076 49 HB1 ALA 547 1HB ALA 547 4.857 12.854 -8.290 50 HB2 ALA 547 2HB ALA 547 3.654 11.781 -9.007 51 HB3 ALA 547 3HB ALA 547 3.139 13.172 -8.052 52 H LYS 548 HN LYS 548 5.538 12.591 -5.269 53 HA LYS 548 HA LYS 548 7.882 11.177 -6.169 54 HB2 LYS 548 3HB LYS 548 7.600 12.949 -3.735 55 HB3 LYS 548 2HB LYS 548 9.092 12.516 -4.583 56 HG2 LYS 548 3HG LYS 548 7.655 13.660 -6.594 57 HG3 LYS 548 2HG LYS 548 7.119 14.593 -5.186 58 HD2 LYS 548 3HD LYS 548 8.971 15.796 -5.897 59 HD3 LYS 548 2HD LYS 548 9.648 14.755 -4.631 60 HE2 LYS 548 3HE LYS 548 10.245 13.109 -6.473 61 HE3 LYS 548 2HE LYS 548 9.832 14.397 -7.615 62 HZ1 LYS 548 3HZ LYS 548 12.050 14.764 -7.364 63 HZ2 LYS 548 1HZ LYS 548 12.093 14.216 -5.764 64 HZ3 LYS 548 2HZ LYS 548 11.478 15.752 -6.116 65 H GLU 549 HN GLU 549 5.551 10.883 -3.609 66 HA GLU 549 HA GLU 549 7.157 9.093 -2.021 67 HB2 GLU 549 3HB GLU 549 4.496 10.355 -1.828 68 HB3 GLU 549 2HB GLU 549 4.617 8.745 -1.100 69 HG2 GLU 549 3HG GLU 549 6.285 11.170 -0.435 70 HG3 GLU 549 2HG GLU 549 5.049 10.403 0.575 71 HE2 GLU 549 HE GLU 549 7.285 7.618 1.072 72 H ARG 550 HN ARG 550 4.108 8.714 -3.837 73 HA ARG 550 HA ARG 550 3.953 5.935 -3.648 74 HB2 ARG 550 3HB ARG 550 2.301 7.799 -4.595 75 HB3 ARG 550 2HB ARG 550 2.979 7.249 -6.134 76 HG2 ARG 550 3HG ARG 550 2.098 5.115 -5.929 77 HG3 ARG 550 2HG ARG 550 1.911 5.265 -4.174 78 HD2 ARG 550 3HD ARG 550 -0.248 5.699 -4.600 79 HD3 ARG 550 2HD ARG 550 0.324 7.296 -5.102 80 HE ARG 550 HE ARG 550 -0.584 5.152 -6.821 81 HH11 ARG 550 1HH1 ARG 550 1.120 8.179 -6.583 82 HH12 ARG 550 2HH1 ARG 550 0.914 8.577 -8.257 83 HH21 ARG 550 1HH2 ARG 550 -0.862 5.664 -9.027 84 HH22 ARG 550 2HH2 ARG 550 -0.214 7.146 -9.646 85 H ALA 551 HN ALA 551 5.918 7.950 -5.656 86 HA ALA 551 HA ALA 551 6.495 6.034 -7.680 87 HB1 ALA 551 1HB ALA 551 7.690 8.638 -6.838 88 HB2 ALA 551 2HB ALA 551 8.555 7.605 -7.977 89 HB3 ALA 551 3HB ALA 551 6.938 8.188 -8.369 90 H GLY 552 HN GLY 552 8.349 7.167 -4.848 91 HA2 GLY 552 2HA GLY 552 10.386 5.176 -5.207 92 HA3 GLY 552 3HA GLY 552 10.220 6.262 -3.836 93 H VAL 553 HN VAL 553 7.769 5.628 -2.838 94 HA VAL 553 HA VAL 553 8.240 3.438 -1.228 95 HB VAL 553 HB VAL 553 5.552 4.543 -2.055 96 HG11 VAL 553 1HG1 VAL 553 4.778 3.577 0.099 97 HG12 VAL 553 2HG1 VAL 553 5.262 2.362 -1.086 98 HG13 VAL 553 3HG1 VAL 553 6.336 2.769 0.253 99 HG21 VAL 553 3HG2 VAL 553 6.514 5.210 0.598 100 HG22 VAL 553 1HG2 VAL 553 7.602 5.784 -0.666 101 HG23 VAL 553 2HG2 VAL 553 5.904 6.262 -0.679 102 H TYR 554 HN TYR 554 6.143 3.559 -4.107 103 HA TYR 554 HA TYR 554 5.300 0.936 -4.154 104 HB2 TYR 554 3HB TYR 554 4.411 2.613 -5.673 105 HB3 TYR 554 2HB TYR 554 5.969 2.733 -6.495 106 HD1 TYR 554 2HD TYR 554 3.092 0.487 -5.905 107 HD2 TYR 554 1HD TYR 554 6.603 1.206 -8.197 108 HE1 TYR 554 2HE TYR 554 2.425 -1.288 -7.471 109 HE2 TYR 554 1HE TYR 554 5.946 -0.566 -9.771 110 HH TYR 554 HH TYR 554 4.294 -2.816 -9.424 111 H THR 555 HN THR 555 8.306 2.301 -5.422 112 HA THR 555 HA THR 555 9.316 0.104 -6.766 113 HB THR 555 HB THR 555 10.990 1.983 -5.095 114 HG1 THR 555 1HG THR 555 9.743 3.282 -6.395 115 HG21 THR 555 3HG2 THR 555 11.610 0.525 -7.666 116 HG22 THR 555 1HG2 THR 555 12.149 0.021 -6.064 117 HG23 THR 555 2HG2 THR 555 12.712 1.548 -6.745 118 H LYS 556 HN LYS 556 9.557 0.892 -3.318 119 HA LYS 556 HA LYS 556 11.091 -1.454 -2.701 120 HB2 LYS 556 3HB LYS 556 9.969 0.850 -1.226 121 HB3 LYS 556 2HB LYS 556 10.125 -0.649 -0.296 122 HG2 LYS 556 3HG LYS 556 12.143 0.384 0.118 123 HG3 LYS 556 2HG LYS 556 12.540 -0.690 -1.235 124 HD2 LYS 556 3HD LYS 556 12.324 1.146 -2.814 125 HD3 LYS 556 2HD LYS 556 11.822 2.229 -1.505 126 HE2 LYS 556 3HE LYS 556 14.020 1.856 -0.398 127 HE3 LYS 556 2HE LYS 556 14.507 0.887 -1.796 128 HZ1 LYS 556 3HZ LYS 556 13.873 3.782 -1.750 129 HZ2 LYS 556 1HZ LYS 556 14.049 2.898 -3.183 130 HZ3 LYS 556 2HZ LYS 556 15.355 3.053 -2.119 131 H LEU 557 HN LEU 557 7.704 -0.554 -2.649 132 HA LEU 557 HA LEU 557 6.662 -2.596 -1.077 133 HB2 LEU 557 3HB LEU 557 5.645 -0.836 -3.231 134 HB3 LEU 557 2HB LEU 557 4.706 -2.302 -2.899 135 HG LEU 557 HG LEU 557 5.422 -0.304 -0.763 136 HD11 LEU 557 1HD1 LEU 557 3.785 1.059 -1.392 137 HD12 LEU 557 2HD1 LEU 557 2.660 -0.280 -1.611 138 HD13 LEU 557 3HD1 LEU 557 3.745 0.183 -2.922 139 HD21 LEU 557 3HD2 LEU 557 3.941 -2.830 -0.892 140 HD22 LEU 557 1HD2 LEU 557 3.096 -1.526 -0.058 141 HD23 LEU 557 2HD2 LEU 557 4.700 -2.025 0.482 142 H CYS 558 HN CYS 558 7.903 -2.674 -4.318 143 HA CYS 558 HA CYS 558 6.692 -5.084 -5.168 144 HB2 CYS 558 3HB CYS 558 9.262 -3.739 -6.013 145 HB3 CYS 558 2HB CYS 558 8.552 -5.131 -6.848 146 HG CYS 558 HG CYS 558 6.864 -2.182 -6.494 147 H GLY 559 HN GLY 559 9.270 -4.414 -3.002 148 HA2 GLY 559 2HA GLY 559 10.265 -7.173 -3.167 149 HA3 GLY 559 3HA GLY 559 11.068 -5.839 -2.350 150 H VAL 560 HN VAL 560 8.045 -5.380 -1.415 151 HA VAL 560 HA VAL 560 8.362 -7.078 0.969 152 HB VAL 560 HB VAL 560 6.672 -4.588 0.763 153 HG11 VAL 560 1HG1 VAL 560 7.712 -6.183 3.102 154 HG12 VAL 560 2HG1 VAL 560 6.859 -4.643 3.232 155 HG13 VAL 560 3HG1 VAL 560 6.036 -6.055 2.568 156 HG21 VAL 560 3HG2 VAL 560 8.605 -3.463 0.625 157 HG22 VAL 560 1HG2 VAL 560 8.824 -3.915 2.316 158 HG23 VAL 560 2HG2 VAL 560 9.567 -4.881 1.041 159 H PHE 561 HN PHE 561 6.237 -6.220 -1.641 160 HA PHE 561 HA PHE 561 4.555 -8.489 -1.074 161 HB2 PHE 561 3HB PHE 561 3.581 -5.666 -0.723 162 HB3 PHE 561 2HB PHE 561 2.469 -6.924 -1.269 163 HD1 PHE 561 2HD PHE 561 2.160 -8.987 0.164 164 HD2 PHE 561 1HD PHE 561 4.097 -5.460 1.556 165 HE1 PHE 561 2HE PHE 561 1.792 -9.705 2.488 166 HE2 PHE 561 1HE PHE 561 3.733 -6.175 3.883 167 HZ PHE 561 HZ PHE 561 2.577 -8.299 4.351 168 HA PRO 562 HA PRO 562 4.057 -8.532 -5.431 169 HB2 PRO 562 3HB PRO 562 1.522 -9.521 -5.727 170 HB3 PRO 562 2HB PRO 562 2.887 -10.494 -5.183 171 HG2 PRO 562 3HG PRO 562 0.760 -9.130 -3.568 172 HG3 PRO 562 2HG PRO 562 1.421 -10.799 -3.404 173 HD2 PRO 562 3HD PRO 562 2.174 -8.760 -1.778 174 HD3 PRO 562 2HD PRO 562 3.281 -10.057 -2.263 175 HA PRO 563 HA PRO 563 1.994 -4.987 -7.014 176 HB2 PRO 563 3HB PRO 563 1.103 -5.830 -9.464 177 HB3 PRO 563 2HB PRO 563 2.803 -5.541 -9.092 178 HG2 PRO 563 3HG PRO 563 1.267 -8.118 -9.102 179 HG3 PRO 563 2HG PRO 563 2.895 -7.757 -9.791 180 HD2 PRO 563 3HD PRO 563 2.556 -9.043 -7.424 181 HD3 PRO 563 2HD PRO 563 3.914 -7.948 -7.732 182 H HIS 564 HN HIS 564 0.057 -7.926 -7.591 183 HA HIS 564 HA HIS 564 -2.427 -6.733 -7.887 184 HB2 HIS 564 3HB HIS 564 -3.338 -8.840 -7.701 185 HB3 HIS 564 2HB HIS 564 -1.660 -9.239 -8.080 186 HD1 HIS 564 1HD HIS 564 -0.194 -10.225 -6.173 187 HD2 HIS 564 2HD HIS 564 -4.162 -9.577 -5.129 188 HE1 HIS 564 1HE HIS 564 -0.532 -11.470 -4.016 189 HE2 HIS 564 2HE HIS 564 -2.958 -11.075 -3.376 190 H LEU 565 HN LEU 565 -0.529 -7.199 -5.031 191 HA LEU 565 HA LEU 565 -2.735 -6.750 -3.214 192 HB2 LEU 565 3HB LEU 565 0.144 -7.402 -3.001 193 HB3 LEU 565 2HB LEU 565 -0.545 -6.456 -1.672 194 HG LEU 565 HG LEU 565 -1.512 -9.163 -2.592 195 HD11 LEU 565 1HD1 LEU 565 -0.723 -9.424 -0.007 196 HD12 LEU 565 2HD1 LEU 565 0.470 -8.281 -0.621 197 HD13 LEU 565 3HD1 LEU 565 0.264 -9.846 -1.407 198 HD21 LEU 565 3HD2 LEU 565 -2.728 -8.932 -0.308 199 HD22 LEU 565 1HD2 LEU 565 -3.416 -8.172 -1.742 200 HD23 LEU 565 2HD2 LEU 565 -2.519 -7.201 -0.575 201 H VAL 566 HN VAL 566 0.335 -5.031 -3.828 202 HA VAL 566 HA VAL 566 -0.208 -2.716 -2.435 203 HB VAL 566 HB VAL 566 1.336 -2.948 -5.021 204 HG11 VAL 566 1HG1 VAL 566 0.918 -0.652 -4.688 205 HG12 VAL 566 2HG1 VAL 566 1.185 -0.776 -2.948 206 HG13 VAL 566 3HG1 VAL 566 2.543 -0.932 -4.063 207 HG21 VAL 566 3HG2 VAL 566 3.254 -3.390 -3.744 208 HG22 VAL 566 1HG2 VAL 566 2.468 -2.908 -2.240 209 HG23 VAL 566 2HG2 VAL 566 2.004 -4.412 -3.037 210 H GLU 567 HN GLU 567 -0.906 -3.391 -5.858 211 HA GLU 567 HA GLU 567 -1.978 -0.966 -6.605 212 HB2 GLU 567 3HB GLU 567 -2.519 -3.792 -7.451 213 HB3 GLU 567 2HB GLU 567 -3.505 -2.476 -8.106 214 HG2 GLU 567 3HG GLU 567 -1.102 -1.420 -8.559 215 HG3 GLU 567 2HG GLU 567 -0.661 -3.134 -8.587 216 HE2 GLU 567 HE GLU 567 -3.143 -1.872 -11.429 217 H ALA 568 HN ALA 568 -3.396 -3.478 -4.643 218 HA ALA 568 HA ALA 568 -6.044 -2.319 -4.711 219 HB1 ALA 568 1HB ALA 568 -6.738 -4.134 -3.400 220 HB2 ALA 568 2HB ALA 568 -5.504 -4.799 -4.471 221 HB3 ALA 568 3HB ALA 568 -5.109 -4.430 -2.793 222 H VAL 569 HN VAL 569 -3.647 -2.904 -2.129 223 HA VAL 569 HA VAL 569 -4.880 -1.488 -0.103 224 HB VAL 569 HB VAL 569 -1.898 -1.625 -0.565 225 HG11 VAL 569 1HG1 VAL 569 -1.663 -1.285 1.777 226 HG12 VAL 569 2HG1 VAL 569 -2.755 -0.033 1.182 227 HG13 VAL 569 3HG1 VAL 569 -3.400 -1.434 2.037 228 HG21 VAL 569 3HG2 VAL 569 -3.757 -3.728 -0.153 229 HG22 VAL 569 1HG2 VAL 569 -1.997 -3.815 -0.216 230 HG23 VAL 569 2HG2 VAL 569 -2.811 -3.544 1.324 231 H MET 570 HN MET 570 -2.872 -0.303 -2.738 232 HA MET 570 HA MET 570 -2.385 2.285 -1.844 233 HB2 MET 570 3HB MET 570 -2.678 1.066 -4.575 234 HB3 MET 570 2HB MET 570 -2.432 2.810 -4.395 235 HG2 MET 570 3HG MET 570 -0.480 1.699 -2.767 236 HG3 MET 570 2HG MET 570 -0.530 0.639 -4.179 237 HE1 MET 570 3HE MET 570 2.208 1.624 -4.423 238 HE2 MET 570 1HE MET 570 2.481 3.367 -4.418 239 HE3 MET 570 2HE MET 570 1.773 2.580 -3.007 240 H ARG 571 HN ARG 571 -5.295 0.843 -3.058 241 HA ARG 571 HA ARG 571 -6.617 3.340 -3.614 242 HB2 ARG 571 3HB ARG 571 -7.073 1.043 -4.691 243 HB3 ARG 571 2HB ARG 571 -7.994 0.695 -3.221 244 HG2 ARG 571 3HG ARG 571 -8.657 3.257 -4.503 245 HG3 ARG 571 2HG ARG 571 -9.032 1.812 -5.458 246 HD2 ARG 571 3HD ARG 571 -9.961 1.044 -3.026 247 HD3 ARG 571 2HD ARG 571 -10.236 2.790 -2.955 248 HE ARG 571 HE ARG 571 -11.189 1.839 -5.413 249 HH11 ARG 571 1HH1 ARG 571 -11.910 1.638 -2.013 250 HH12 ARG 571 2HH1 ARG 571 -13.608 1.394 -2.255 251 HH21 ARG 571 1HH2 ARG 571 -13.422 1.518 -5.744 252 HH22 ARG 571 2HH2 ARG 571 -14.467 1.325 -4.378 253 H ARG 572 HN ARG 572 -6.146 1.308 -0.871 254 HA ARG 572 HA ARG 572 -8.416 2.210 0.621 255 HB2 ARG 572 3HB ARG 572 -6.335 0.273 0.925 256 HB3 ARG 572 2HB ARG 572 -6.372 1.294 2.370 257 HG2 ARG 572 3HG ARG 572 -8.998 0.826 2.122 258 HG3 ARG 572 2HG ARG 572 -8.358 -0.648 1.373 259 HD2 ARG 572 3HD ARG 572 -8.375 -1.374 3.530 260 HD3 ARG 572 2HD ARG 572 -6.793 -0.584 3.528 261 HE ARG 572 HE ARG 572 -8.502 1.398 4.265 262 HH11 ARG 572 1HH1 ARG 572 -7.856 -1.819 5.431 263 HH12 ARG 572 2HH1 ARG 572 -8.266 -1.447 7.073 264 HH21 ARG 572 1HH2 ARG 572 -9.044 1.900 6.423 265 HH22 ARG 572 2HH2 ARG 572 -8.942 0.669 7.635 266 H PHE 573 HN PHE 573 -4.943 2.964 0.681 267 HA PHE 573 HA PHE 573 -5.581 5.377 2.246 268 HB2 PHE 573 3HB PHE 573 -3.148 3.599 2.208 269 HB3 PHE 573 2HB PHE 573 -3.056 5.258 2.803 270 HD1 PHE 573 1HD PHE 573 -4.767 2.022 3.347 271 HD2 PHE 573 2HD PHE 573 -3.752 5.826 4.964 272 HE1 PHE 573 1HE PHE 573 -5.573 1.294 5.555 273 HE2 PHE 573 2HE PHE 573 -4.555 5.104 7.175 274 HZ PHE 573 HZ PHE 573 -5.466 2.836 7.473 275 HA PRO 574 HA PRO 574 -4.190 6.761 -1.963 276 HB2 PRO 574 3HB PRO 574 -6.141 8.662 -2.247 277 HB3 PRO 574 2HB PRO 574 -6.359 6.970 -2.690 278 HG2 PRO 574 3HG PRO 574 -7.161 8.396 -0.177 279 HG3 PRO 574 2HG PRO 574 -8.109 7.237 -1.183 280 HD2 PRO 574 3HD PRO 574 -6.891 6.512 1.132 281 HD3 PRO 574 2HD PRO 574 -7.056 5.413 -0.247 282 H GLN 575 HN GLN 575 -4.487 8.062 1.150 283 HA GLN 575 HA GLN 575 -3.170 10.568 0.354 284 HB2 GLN 575 3HB GLN 575 -3.908 11.538 2.399 285 HB3 GLN 575 2HB GLN 575 -5.296 10.689 1.701 286 HG2 GLN 575 3HG GLN 575 -4.467 8.715 3.222 287 HG3 GLN 575 2HG GLN 575 -3.696 10.030 4.119 288 HE21 GLN 575 1HE2 GLN 575 -4.940 11.486 5.244 289 HE22 GLN 575 2HE2 GLN 575 -6.630 11.259 5.523 290 H LEU 576 HN LEU 576 -2.610 7.545 1.752 291 HA LEU 576 HA LEU 576 0.014 8.453 2.712 292 HB2 LEU 576 3HB LEU 576 -2.112 7.243 4.246 293 HB3 LEU 576 2HB LEU 576 -0.671 6.211 4.244 294 HG LEU 576 HG LEU 576 -0.800 9.086 5.155 295 HD11 LEU 576 1HD1 LEU 576 -1.761 7.917 6.883 296 HD12 LEU 576 2HD1 LEU 576 -0.057 7.835 7.324 297 HD13 LEU 576 3HD1 LEU 576 -0.835 6.453 6.555 298 HD21 LEU 576 3HD2 LEU 576 1.436 7.298 4.493 299 HD22 LEU 576 1HD2 LEU 576 1.558 8.104 6.057 300 HD23 LEU 576 2HD2 LEU 576 1.375 9.059 4.585 301 H LEU 577 HN LEU 577 1.535 7.515 1.534 302 HA LEU 577 HA LEU 577 1.135 4.725 0.680 303 HB2 LEU 577 3HB LEU 577 2.184 7.082 -0.860 304 HB3 LEU 577 2HB LEU 577 2.645 5.427 -1.292 305 HG LEU 577 HG LEU 577 0.854 6.140 -2.722 306 HD11 LEU 577 1HD1 LEU 577 -0.553 4.307 -2.502 307 HD12 LEU 577 2HD1 LEU 577 -0.486 4.338 -0.740 308 HD13 LEU 577 3HD1 LEU 577 0.911 3.789 -1.667 309 HD21 LEU 577 3HD2 LEU 577 -1.029 6.441 -0.429 310 HD22 LEU 577 1HD2 LEU 577 -1.104 7.133 -2.050 311 HD23 LEU 577 2HD2 LEU 577 0.023 7.789 -0.863 312 H ASP 578 HN ASP 578 2.373 3.774 2.242 313 HA ASP 578 HA ASP 578 5.244 4.419 2.168 314 HB2 ASP 578 3HB ASP 578 3.427 4.484 4.442 315 HB3 ASP 578 2HB ASP 578 4.784 3.384 4.713 316 HD2 ASP 578 HD ASP 578 5.924 7.105 3.947 317 HA PRO 579 HA PRO 579 5.955 0.146 1.471 318 HB2 PRO 579 3HB PRO 579 8.351 -0.223 2.744 319 HB3 PRO 579 2HB PRO 579 8.180 0.672 1.235 320 HG2 PRO 579 3HG PRO 579 8.330 1.700 4.049 321 HG3 PRO 579 2HG PRO 579 9.177 2.294 2.572 322 HD2 PRO 579 3HD PRO 579 6.980 3.520 3.593 323 HD3 PRO 579 2HD PRO 579 7.320 3.456 1.855 324 H GLN 580 HN GLN 580 6.659 1.094 4.837 325 HA GLN 580 HA GLN 580 6.128 -1.531 5.854 326 HB2 GLN 580 3HB GLN 580 6.669 1.151 7.108 327 HB3 GLN 580 2HB GLN 580 6.172 -0.233 8.094 328 HG2 GLN 580 3HG GLN 580 8.174 -1.227 7.961 329 HG3 GLN 580 2HG GLN 580 8.372 -0.805 6.255 330 HE21 GLN 580 1HE2 GLN 580 8.369 1.837 6.160 331 HE22 GLN 580 2HE2 GLN 580 9.642 2.512 7.112 332 H GLN 581 HN GLN 581 4.437 1.596 6.093 333 HA GLN 581 HA GLN 581 2.246 0.820 7.565 334 HB2 GLN 581 3HB GLN 581 2.721 2.906 5.485 335 HB3 GLN 581 2HB GLN 581 1.050 2.591 5.983 336 HG2 GLN 581 3HG GLN 581 1.539 3.134 8.262 337 HG3 GLN 581 2HG GLN 581 3.267 3.245 7.904 338 HE21 GLN 581 1HE2 GLN 581 3.997 4.970 6.541 339 HE22 GLN 581 2HE2 GLN 581 3.110 6.450 6.470 340 H LEU 582 HN LEU 582 2.392 0.938 4.000 341 HA LEU 582 HA LEU 582 -0.075 -0.286 3.539 342 HB2 LEU 582 3HB LEU 582 2.442 -0.219 1.871 343 HB3 LEU 582 2HB LEU 582 0.892 -0.855 1.294 344 HG LEU 582 HG LEU 582 1.198 1.975 2.265 345 HD11 LEU 582 1HD1 LEU 582 2.725 1.239 0.288 346 HD12 LEU 582 2HD1 LEU 582 1.785 2.726 0.170 347 HD13 LEU 582 3HD1 LEU 582 1.221 1.260 -0.632 348 HD21 LEU 582 3HD2 LEU 582 -1.067 0.855 2.053 349 HD22 LEU 582 1HD2 LEU 582 -0.775 0.818 0.314 350 HD23 LEU 582 2HD2 LEU 582 -0.848 2.362 1.163 351 H ALA 583 HN ALA 583 2.980 -1.627 4.451 352 HA ALA 583 HA ALA 583 2.549 -4.289 3.577 353 HB1 ALA 583 1HB ALA 583 4.194 -4.299 5.884 354 HB2 ALA 583 2HB ALA 583 4.674 -4.442 4.193 355 HB3 ALA 583 3HB ALA 583 4.579 -2.853 4.951 356 H ALA 584 HN ALA 584 1.945 -2.629 6.650 357 HA ALA 584 HA ALA 584 1.059 -4.893 8.080 358 HB1 ALA 584 1HB ALA 584 -0.255 -2.528 9.009 359 HB2 ALA 584 2HB ALA 584 1.062 -3.436 9.753 360 HB3 ALA 584 3HB ALA 584 1.419 -2.151 8.599 361 H GLU 585 HN GLU 585 -0.736 -2.373 6.324 362 HA GLU 585 HA GLU 585 -3.316 -3.187 6.859 363 HB2 GLU 585 3HB GLU 585 -2.074 -1.900 4.436 364 HB3 GLU 585 2HB GLU 585 -3.806 -2.261 4.500 365 HG2 GLU 585 3HG GLU 585 -2.280 -0.478 6.399 366 HG3 GLU 585 2HG GLU 585 -3.392 0.039 5.122 367 HE2 GLU 585 HE GLU 585 -6.084 -1.421 7.090 368 H ILE 586 HN ILE 586 -1.103 -4.380 4.369 369 HA ILE 586 HA ILE 586 -2.900 -6.092 3.059 370 HB ILE 586 HB ILE 586 0.093 -6.367 3.361 371 HG12 ILE 586 1HG1 ILE 586 -1.304 -5.418 0.889 372 HG13 ILE 586 2HG1 ILE 586 -1.073 -4.286 2.232 373 HG21 ILE 586 1HG2 ILE 586 -0.036 -7.782 1.357 374 HG22 ILE 586 2HG2 ILE 586 -0.909 -8.481 2.719 375 HG23 ILE 586 3HG2 ILE 586 -1.796 -7.689 1.418 376 HD11 ILE 586 3HD1 ILE 586 0.976 -5.584 0.500 377 HD12 ILE 586 1HD1 ILE 586 0.787 -3.887 0.939 378 HD13 ILE 586 2HD1 ILE 586 1.402 -5.041 2.123 379 H LEU 587 HN LEU 587 -0.614 -6.727 5.706 380 HA LEU 587 HA LEU 587 -0.992 -9.443 6.007 381 HB2 LEU 587 3HB LEU 587 -0.376 -7.245 7.956 382 HB3 LEU 587 2HB LEU 587 -0.576 -8.917 8.508 383 HG LEU 587 HG LEU 587 1.354 -8.379 6.305 384 HD11 LEU 587 1HD1 LEU 587 2.880 -8.248 8.601 385 HD12 LEU 587 2HD1 LEU 587 1.512 -7.192 8.946 386 HD13 LEU 587 3HD1 LEU 587 2.504 -6.909 7.516 387 HD21 LEU 587 3HD2 LEU 587 2.195 -10.395 6.868 388 HD22 LEU 587 1HD2 LEU 587 0.601 -10.624 7.588 389 HD23 LEU 587 2HD2 LEU 587 1.962 -10.131 8.596 390 H SER 588 HN SER 588 -3.000 -6.787 7.147 391 HA SER 588 HA SER 588 -4.763 -8.508 8.641 392 HB2 SER 588 1HB SER 588 -5.590 -6.600 9.519 393 HB3 SER 588 2HB SER 588 -4.212 -5.819 8.722 394 HG SER 588 HG SER 588 -5.504 -5.229 7.039 395 H TYR 589 HN TYR 589 -4.863 -6.793 5.545 396 HA TYR 589 HA TYR 589 -7.505 -7.405 4.851 397 HB2 TYR 589 3HB TYR 589 -6.327 -5.717 3.627 398 HB3 TYR 589 2HB TYR 589 -5.072 -6.861 3.147 399 HD1 TYR 589 1HD TYR 589 -8.811 -6.832 2.956 400 HD2 TYR 589 2HD TYR 589 -5.123 -7.377 0.907 401 HE1 TYR 589 1HE TYR 589 -10.043 -7.347 0.890 402 HE2 TYR 589 2HE TYR 589 -6.343 -7.892 -1.165 403 HH TYR 589 HH TYR 589 -8.583 -8.729 -1.822 404 H LYS 590 HN LYS 590 -4.515 -9.214 4.455 405 HA LYS 590 HA LYS 590 -5.697 -11.279 2.855 406 HB2 LYS 590 3HB LYS 590 -3.189 -10.521 3.085 407 HB3 LYS 590 2HB LYS 590 -3.178 -11.686 4.418 408 HG2 LYS 590 3HG LYS 590 -2.444 -12.970 2.649 409 HG3 LYS 590 2HG LYS 590 -4.182 -13.323 2.683 410 HD2 LYS 590 3HD LYS 590 -4.603 -11.781 0.880 411 HD3 LYS 590 2HD LYS 590 -2.920 -11.228 0.916 412 HE2 LYS 590 3HE LYS 590 -3.594 -14.121 0.425 413 HE3 LYS 590 2HE LYS 590 -3.619 -12.934 -0.886 414 HZ1 LYS 590 3HZ LYS 590 -1.348 -14.004 0.601 415 HZ2 LYS 590 1HZ LYS 590 -1.257 -12.384 0.125 416 HZ3 LYS 590 2HZ LYS 590 -1.474 -13.595 -1.035 417 H SER 591 HN SER 591 -4.537 -11.130 6.222 418 HA SER 591 HA SER 591 -5.245 -13.672 7.034 419 HB2 SER 591 1HB SER 591 -4.985 -12.936 9.236 420 HB3 SER 591 2HB SER 591 -4.025 -11.763 8.318 421 HG SER 591 HG SER 591 -5.899 -11.170 9.969 422 H GLN 592 HN GLN 592 -7.270 -10.890 6.491 423 HA GLN 592 HA GLN 592 -9.546 -11.603 7.920 424 HB2 GLN 592 3HB GLN 592 -8.983 -9.923 5.533 425 HB3 GLN 592 2HB GLN 592 -10.668 -10.391 5.811 426 HG2 GLN 592 3HG GLN 592 -10.099 -9.558 8.271 427 HG3 GLN 592 2HG GLN 592 -8.916 -8.592 7.378 428 HE21 GLN 592 1HE2 GLN 592 -11.110 -7.564 8.832 429 HE22 GLN 592 2HE2 GLN 592 -12.159 -6.766 7.715 430 H HIS 593 HN HIS 593 -8.324 -12.789 4.869 431 HA HIS 593 HA HIS 593 -10.704 -14.493 4.579 432 HB2 HIS 593 3HB HIS 593 -8.639 -13.536 2.598 433 HB3 HIS 593 2HB HIS 593 -9.732 -14.875 2.234 434 HD1 HIS 593 1HD HIS 593 -11.174 -13.785 0.486 435 HD2 HIS 593 2HD HIS 593 -10.917 -11.547 3.977 436 HE1 HIS 593 1HE HIS 593 -12.860 -11.938 0.225 437 HE2 HIS 593 2HE HIS 593 -12.705 -10.569 2.359 438 H LEU 594 HN LEU 594 -8.648 -15.062 6.493 439 HA LEU 594 HA LEU 594 -7.006 -17.167 5.386 440 HB2 LEU 594 3HB LEU 594 -6.402 -15.570 7.307 441 HB3 LEU 594 2HB LEU 594 -7.429 -16.614 8.306 442 HG LEU 594 HG LEU 594 -5.957 -18.530 7.737 443 HD11 LEU 594 1HD1 LEU 594 -4.469 -18.393 6.103 444 HD12 LEU 594 2HD1 LEU 594 -3.655 -17.063 6.927 445 HD13 LEU 594 3HD1 LEU 594 -4.968 -16.729 5.799 446 HD21 LEU 594 3HD2 LEU 594 -5.435 -17.707 9.810 447 HD22 LEU 594 1HD2 LEU 594 -5.005 -16.113 9.191 448 HD23 LEU 594 2HD2 LEU 594 -3.897 -17.469 8.978 449 H SER 595 HN SER 595 -7.641 -19.193 5.121 450 HA SER 595 HA SER 595 -9.583 -20.353 6.979 451 HB2 SER 595 1HB SER 595 -10.892 -21.334 5.157 452 HB3 SER 595 2HB SER 595 -10.874 -19.567 5.026 453 HG SER 595 HG SER 595 -9.432 -19.696 3.359 454 H GLU 596 HN GLU 596 -9.139 -22.409 7.532 455 HA GLU 596 HA GLU 596 -6.729 -23.604 6.435 456 HB2 GLU 596 3HB GLU 596 -6.922 -25.209 8.275 457 HB3 GLU 596 2HB GLU 596 -7.013 -23.541 8.862 458 HG2 GLU 596 3HG GLU 596 -9.290 -23.679 9.325 459 HG3 GLU 596 2HG GLU 596 -9.501 -25.099 8.291 460 HE2 GLU 596 HE GLU 596 -9.396 -26.858 11.255 Start of MODEL 17 1 H1 GLY 540 HN GLY 540 -12.699 14.265 -7.141 2 HA2 GLY 540 2HA GLY 540 -11.948 15.459 -5.109 3 HA3 GLY 540 3HA GLY 540 -10.818 14.136 -4.864 4 HA PRO 541 HA PRO 541 -8.774 17.671 -7.181 5 HB2 PRO 541 3HB PRO 541 -6.809 18.145 -5.333 6 HB3 PRO 541 2HB PRO 541 -8.390 18.923 -5.293 7 HG2 PRO 541 3HG PRO 541 -7.413 16.521 -3.786 8 HG3 PRO 541 2HG PRO 541 -8.353 17.937 -3.187 9 HD2 PRO 541 3HD PRO 541 -9.506 15.541 -3.737 10 HD3 PRO 541 2HD PRO 541 -10.338 17.084 -3.990 11 H HIS 542 HN HIS 542 -6.459 17.743 -7.872 12 HA HIS 542 HA HIS 542 -5.512 15.022 -8.330 13 HB2 HIS 542 3HB HIS 542 -4.440 17.591 -9.515 14 HB3 HIS 542 2HB HIS 542 -4.170 15.945 -10.100 15 HD1 HIS 542 1HD HIS 542 -7.168 15.004 -9.974 16 HD2 HIS 542 2HD HIS 542 -5.806 18.512 -11.735 17 HE1 HIS 542 1HE HIS 542 -8.919 15.630 -11.667 18 HE2 HIS 542 2HE HIS 542 -8.087 17.773 -12.744 19 H MET 543 HN MET 543 -3.679 14.195 -7.505 20 HA MET 543 HA MET 543 -2.436 15.434 -5.295 21 HB2 MET 543 3HB MET 543 -1.373 13.129 -6.943 22 HB3 MET 543 2HB MET 543 -0.946 13.528 -5.273 23 HG2 MET 543 3HG MET 543 -3.100 12.919 -4.471 24 HG3 MET 543 2HG MET 543 -3.734 12.799 -6.115 25 HE1 MET 543 3HE MET 543 -3.173 9.805 -7.523 26 HE2 MET 543 1HE MET 543 -4.276 9.533 -6.173 27 HE3 MET 543 2HE MET 543 -4.282 11.080 -7.020 28 H GLY 544 HN GLY 544 0.134 15.404 -5.276 29 HA2 GLY 544 2HA GLY 544 1.306 16.439 -7.716 30 HA3 GLY 544 3HA GLY 544 1.107 17.628 -6.437 31 H ASP 545 HN ASP 545 2.236 17.307 -4.438 32 HA ASP 545 HA ASP 545 4.899 16.458 -4.791 33 HB2 ASP 545 3HB ASP 545 3.527 16.838 -2.124 34 HB3 ASP 545 2HB ASP 545 5.240 17.048 -2.504 35 HD2 ASP 545 HD ASP 545 3.320 20.248 -2.551 36 H LEU 546 HN LEU 546 2.082 14.909 -3.366 37 HA LEU 546 HA LEU 546 3.327 12.770 -2.085 38 HB2 LEU 546 3HB LEU 546 0.625 13.219 -3.279 39 HB3 LEU 546 2HB LEU 546 1.079 11.587 -2.758 40 HG LEU 546 HG LEU 546 -0.232 12.822 -1.068 41 HD11 LEU 546 1HD1 LEU 546 0.894 11.893 0.668 42 HD12 LEU 546 2HD1 LEU 546 2.450 12.548 0.160 43 HD13 LEU 546 3HD1 LEU 546 1.781 11.135 -0.655 44 HD21 LEU 546 3HD2 LEU 546 0.478 14.776 -0.064 45 HD22 LEU 546 1HD2 LEU 546 0.945 15.039 -1.744 46 HD23 LEU 546 2HD2 LEU 546 2.156 14.548 -0.559 47 H ALA 547 HN ALA 547 2.716 13.348 -5.456 48 HA ALA 547 HA ALA 547 2.816 10.802 -6.527 49 HB1 ALA 547 1HB ALA 547 3.060 11.809 -8.544 50 HB2 ALA 547 2HB ALA 547 2.623 13.235 -7.601 51 HB3 ALA 547 3HB ALA 547 4.316 12.907 -7.970 52 H LYS 548 HN LYS 548 5.411 12.782 -5.264 53 HA LYS 548 HA LYS 548 7.553 11.235 -6.322 54 HB2 LYS 548 3HB LYS 548 7.615 13.639 -5.425 55 HB3 LYS 548 2HB LYS 548 7.695 12.902 -3.817 56 HG2 LYS 548 3HG LYS 548 9.746 11.720 -4.449 57 HG3 LYS 548 2HG LYS 548 9.672 12.477 -6.049 58 HD2 LYS 548 3HD LYS 548 9.984 14.664 -5.126 59 HD3 LYS 548 2HD LYS 548 9.796 14.044 -3.477 60 HE2 LYS 548 3HE LYS 548 11.884 13.010 -3.474 61 HE3 LYS 548 2HE LYS 548 11.966 12.979 -5.243 62 HZ1 LYS 548 3HZ LYS 548 11.945 15.553 -3.806 63 HZ2 LYS 548 1HZ LYS 548 12.550 15.197 -5.345 64 HZ3 LYS 548 2HZ LYS 548 13.384 14.678 -3.968 65 H GLU 549 HN GLU 549 5.634 11.089 -3.390 66 HA GLU 549 HA GLU 549 7.271 9.304 -1.945 67 HB2 GLU 549 3HB GLU 549 4.561 10.397 -1.732 68 HB3 GLU 549 2HB GLU 549 4.703 8.746 -1.104 69 HG2 GLU 549 3HG GLU 549 6.197 9.350 0.557 70 HG3 GLU 549 2HG GLU 549 6.679 10.828 -0.286 71 HE2 GLU 549 HE GLU 549 3.251 10.959 1.732 72 H ARG 550 HN ARG 550 4.228 8.628 -3.688 73 HA ARG 550 HA ARG 550 4.280 5.874 -3.523 74 HB2 ARG 550 3HB ARG 550 2.363 7.146 -4.360 75 HB3 ARG 550 2HB ARG 550 3.272 7.558 -5.822 76 HG2 ARG 550 3HG ARG 550 3.187 5.380 -6.657 77 HG3 ARG 550 2HG ARG 550 2.770 4.703 -5.074 78 HD2 ARG 550 3HD ARG 550 0.844 4.748 -6.630 79 HD3 ARG 550 2HD ARG 550 0.578 5.703 -5.165 80 HE ARG 550 HE ARG 550 0.472 7.600 -6.450 81 HH11 ARG 550 1HH1 ARG 550 1.798 4.994 -8.341 82 HH12 ARG 550 2HH1 ARG 550 1.738 5.874 -9.833 83 HH21 ARG 550 1HH2 ARG 550 0.390 8.768 -8.407 84 HH22 ARG 550 2HH2 ARG 550 0.939 8.021 -9.869 85 H ALA 551 HN ALA 551 5.942 7.986 -5.797 86 HA ALA 551 HA ALA 551 6.793 6.174 -7.697 87 HB1 ALA 551 1HB ALA 551 8.597 8.338 -6.666 88 HB2 ALA 551 2HB ALA 551 8.429 7.728 -8.313 89 HB3 ALA 551 3HB ALA 551 7.146 8.705 -7.598 90 H GLY 552 HN GLY 552 8.686 7.194 -4.840 91 HA2 GLY 552 2HA GLY 552 10.586 5.082 -5.176 92 HA3 GLY 552 3HA GLY 552 10.472 6.169 -3.800 93 H VAL 553 HN VAL 553 7.933 5.646 -2.879 94 HA VAL 553 HA VAL 553 8.277 3.461 -1.231 95 HB VAL 553 HB VAL 553 5.669 4.669 -2.163 96 HG11 VAL 553 1HG1 VAL 553 6.307 2.559 -0.174 97 HG12 VAL 553 2HG1 VAL 553 5.054 3.731 0.238 98 HG13 VAL 553 3HG1 VAL 553 4.896 2.745 -1.216 99 HG21 VAL 553 3HG2 VAL 553 7.716 5.776 -0.636 100 HG22 VAL 553 1HG2 VAL 553 6.058 6.363 -0.771 101 HG23 VAL 553 2HG2 VAL 553 6.502 5.269 0.539 102 H TYR 554 HN TYR 554 6.164 3.603 -4.104 103 HA TYR 554 HA TYR 554 5.339 0.974 -4.148 104 HB2 TYR 554 3HB TYR 554 4.398 2.658 -5.629 105 HB3 TYR 554 2HB TYR 554 5.932 2.791 -6.492 106 HD1 TYR 554 1HD TYR 554 3.071 0.543 -5.851 107 HD2 TYR 554 2HD TYR 554 6.541 1.258 -8.206 108 HE1 TYR 554 1HE TYR 554 2.370 -1.225 -7.410 109 HE2 TYR 554 2HE TYR 554 5.849 -0.507 -9.772 110 HH TYR 554 HH TYR 554 2.830 -1.731 -9.947 111 H THR 555 HN THR 555 8.298 2.371 -5.488 112 HA THR 555 HA THR 555 9.299 0.222 -6.893 113 HB THR 555 HB THR 555 10.993 2.037 -5.171 114 HG1 THR 555 1HG THR 555 11.038 3.255 -7.262 115 HG21 THR 555 3HG2 THR 555 12.542 0.623 -6.042 116 HG22 THR 555 1HG2 THR 555 12.375 1.673 -7.449 117 HG23 THR 555 2HG2 THR 555 11.505 0.140 -7.383 118 H LYS 556 HN LYS 556 9.539 0.871 -3.418 119 HA LYS 556 HA LYS 556 11.095 -1.485 -2.897 120 HB2 LYS 556 3HB LYS 556 9.952 0.747 -1.329 121 HB3 LYS 556 2HB LYS 556 10.123 -0.788 -0.462 122 HG2 LYS 556 3HG LYS 556 12.146 0.171 0.001 123 HG3 LYS 556 2HG LYS 556 12.542 -0.733 -1.471 124 HD2 LYS 556 3HD LYS 556 12.377 1.227 -2.829 125 HD3 LYS 556 2HD LYS 556 11.691 2.158 -1.486 126 HE2 LYS 556 3HE LYS 556 14.028 2.748 -1.790 127 HE3 LYS 556 2HE LYS 556 13.801 1.908 -0.249 128 HZ1 LYS 556 3HZ LYS 556 14.512 -0.163 -1.421 129 HZ2 LYS 556 1HZ LYS 556 15.722 1.010 -1.267 130 HZ3 LYS 556 2HZ LYS 556 14.938 0.793 -2.750 131 H LEU 557 HN LEU 557 7.705 -0.634 -2.875 132 HA LEU 557 HA LEU 557 6.667 -2.730 -1.364 133 HB2 LEU 557 3HB LEU 557 5.658 -0.902 -3.457 134 HB3 LEU 557 2HB LEU 557 4.734 -2.396 -3.213 135 HG LEU 557 HG LEU 557 3.740 -0.623 -1.929 136 HD11 LEU 557 1HD1 LEU 557 4.821 -1.817 0.415 137 HD12 LEU 557 2HD1 LEU 557 4.691 -3.052 -0.837 138 HD13 LEU 557 3HD1 LEU 557 3.270 -2.120 -0.368 139 HD21 LEU 557 3HD2 LEU 557 5.534 0.910 -1.668 140 HD22 LEU 557 1HD2 LEU 557 6.505 -0.272 -0.791 141 HD23 LEU 557 2HD2 LEU 557 5.056 0.405 -0.047 142 H CYS 558 HN CYS 558 7.831 -2.660 -4.657 143 HA CYS 558 HA CYS 558 6.694 -5.091 -5.532 144 HB2 CYS 558 3HB CYS 558 9.291 -3.848 -6.447 145 HB3 CYS 558 2HB CYS 558 8.281 -4.984 -7.357 146 HG CYS 558 HG CYS 558 7.338 -1.797 -6.535 147 H GLY 559 HN GLY 559 9.226 -4.415 -3.351 148 HA2 GLY 559 2HA GLY 559 10.273 -7.162 -3.610 149 HA3 GLY 559 3HA GLY 559 11.154 -5.816 -2.903 150 H VAL 560 HN VAL 560 8.061 -5.519 -1.846 151 HA VAL 560 HA VAL 560 8.620 -7.091 0.586 152 HB VAL 560 HB VAL 560 6.982 -4.559 0.455 153 HG11 VAL 560 1HG1 VAL 560 8.115 -6.099 2.789 154 HG12 VAL 560 2HG1 VAL 560 7.191 -4.598 2.887 155 HG13 VAL 560 3HG1 VAL 560 6.422 -6.070 2.294 156 HG21 VAL 560 3HG2 VAL 560 9.854 -4.926 0.506 157 HG22 VAL 560 1HG2 VAL 560 8.909 -3.452 0.297 158 HG23 VAL 560 2HG2 VAL 560 9.282 -4.038 1.918 159 H PHE 561 HN PHE 561 6.323 -6.265 -1.876 160 HA PHE 561 HA PHE 561 4.646 -8.483 -1.113 161 HB2 PHE 561 3HB PHE 561 3.747 -5.630 -0.810 162 HB3 PHE 561 2HB PHE 561 2.580 -6.887 -1.224 163 HD1 PHE 561 1HD PHE 561 2.373 -8.903 0.308 164 HD2 PHE 561 2HD PHE 561 4.390 -5.324 1.421 165 HE1 PHE 561 1HE PHE 561 2.156 -9.523 2.680 166 HE2 PHE 561 2HE PHE 561 4.177 -5.938 3.795 167 HZ PHE 561 HZ PHE 561 3.061 -8.040 4.426 168 HA PRO 562 HA PRO 562 3.861 -8.677 -5.424 169 HB2 PRO 562 3HB PRO 562 1.301 -9.648 -5.511 170 HB3 PRO 562 2HB PRO 562 2.693 -10.614 -5.026 171 HG2 PRO 562 3HG PRO 562 0.694 -9.168 -3.320 172 HG3 PRO 562 2HG PRO 562 1.348 -10.840 -3.141 173 HD2 PRO 562 3HD PRO 562 2.230 -8.753 -1.646 174 HD3 PRO 562 2HD PRO 562 3.288 -10.079 -2.156 175 HA PRO 563 HA PRO 563 1.728 -5.165 -6.992 176 HB2 PRO 563 3HB PRO 563 0.668 -6.083 -9.344 177 HB3 PRO 563 2HB PRO 563 2.390 -5.803 -9.097 178 HG2 PRO 563 3HG PRO 563 0.836 -8.361 -8.913 179 HG3 PRO 563 2HG PRO 563 2.416 -8.043 -9.721 180 HD2 PRO 563 3HD PRO 563 2.227 -9.239 -7.292 181 HD3 PRO 563 2HD PRO 563 3.570 -8.172 -7.729 182 H HIS 564 HN HIS 564 -0.264 -8.107 -7.306 183 HA HIS 564 HA HIS 564 -2.755 -6.898 -7.488 184 HB2 HIS 564 3HB HIS 564 -3.666 -8.987 -7.163 185 HB3 HIS 564 2HB HIS 564 -2.020 -9.418 -7.635 186 HD1 HIS 564 1HD HIS 564 -0.444 -10.360 -5.802 187 HD2 HIS 564 2HD HIS 564 -4.319 -9.605 -4.507 188 HE1 HIS 564 1HE HIS 564 -0.648 -11.516 -3.578 189 HE2 HIS 564 2HE HIS 564 -3.017 -11.057 -2.786 190 H LEU 565 HN LEU 565 -0.670 -7.277 -4.751 191 HA LEU 565 HA LEU 565 -2.742 -6.741 -2.807 192 HB2 LEU 565 3HB LEU 565 0.138 -7.413 -2.767 193 HB3 LEU 565 2HB LEU 565 -0.444 -6.402 -1.435 194 HG LEU 565 HG LEU 565 -1.490 -9.137 -2.167 195 HD11 LEU 565 1HD1 LEU 565 0.316 -9.815 -1.043 196 HD12 LEU 565 2HD1 LEU 565 -0.526 -9.236 0.392 197 HD13 LEU 565 3HD1 LEU 565 0.649 -8.200 -0.418 198 HD21 LEU 565 3HD2 LEU 565 -2.316 -7.119 -0.107 199 HD22 LEU 565 1HD2 LEU 565 -2.604 -8.844 0.123 200 HD23 LEU 565 2HD2 LEU 565 -3.319 -8.008 -1.256 201 H VAL 566 HN VAL 566 0.286 -5.069 -3.693 202 HA VAL 566 HA VAL 566 -0.211 -2.688 -2.361 203 HB VAL 566 HB VAL 566 1.295 -3.023 -4.959 204 HG11 VAL 566 1HG1 VAL 566 1.308 -0.837 -2.885 205 HG12 VAL 566 2HG1 VAL 566 2.545 -1.014 -4.131 206 HG13 VAL 566 3HG1 VAL 566 0.869 -0.706 -4.588 207 HG21 VAL 566 3HG2 VAL 566 2.887 -2.771 -2.554 208 HG22 VAL 566 1HG2 VAL 566 1.825 -4.178 -2.489 209 HG23 VAL 566 2HG2 VAL 566 2.956 -3.989 -3.829 210 H GLU 567 HN GLU 567 -0.830 -3.427 -5.794 211 HA GLU 567 HA GLU 567 -1.967 -1.030 -6.552 212 HB2 GLU 567 3HB GLU 567 -2.513 -3.858 -7.449 213 HB3 GLU 567 2HB GLU 567 -3.294 -2.462 -8.207 214 HG2 GLU 567 3HG GLU 567 -1.057 -1.538 -8.738 215 HG3 GLU 567 2HG GLU 567 -0.340 -3.019 -8.087 216 HE2 GLU 567 HE GLU 567 -1.418 -4.889 -10.857 217 H ALA 568 HN ALA 568 -3.332 -3.603 -4.646 218 HA ALA 568 HA ALA 568 -6.034 -2.591 -4.821 219 HB1 ALA 568 1HB ALA 568 -6.640 -4.400 -3.384 220 HB2 ALA 568 2HB ALA 568 -5.496 -5.017 -4.576 221 HB3 ALA 568 3HB ALA 568 -4.958 -4.676 -2.931 222 H VAL 569 HN VAL 569 -3.724 -3.036 -2.134 223 HA VAL 569 HA VAL 569 -5.113 -1.644 -0.188 224 HB VAL 569 HB VAL 569 -2.107 -1.654 -0.482 225 HG11 VAL 569 1HG1 VAL 569 -2.696 -0.156 1.233 226 HG12 VAL 569 2HG1 VAL 569 -3.972 -1.218 1.835 227 HG13 VAL 569 3HG1 VAL 569 -2.278 -1.659 2.055 228 HG21 VAL 569 3HG2 VAL 569 -2.886 -3.641 1.322 229 HG22 VAL 569 1HG2 VAL 569 -3.946 -3.832 -0.074 230 HG23 VAL 569 2HG2 VAL 569 -2.195 -3.869 -0.284 231 H MET 570 HN MET 570 -3.000 -0.420 -2.724 232 HA MET 570 HA MET 570 -2.694 2.204 -1.826 233 HB2 MET 570 3HB MET 570 -2.671 0.925 -4.544 234 HB3 MET 570 2HB MET 570 -2.532 2.683 -4.382 235 HG2 MET 570 3HG MET 570 -0.673 1.796 -2.572 236 HG3 MET 570 2HG MET 570 -0.568 0.590 -3.857 237 HE1 MET 570 3HE MET 570 1.995 3.706 -3.523 238 HE2 MET 570 1HE MET 570 1.550 2.155 -2.811 239 HE3 MET 570 2HE MET 570 2.419 2.203 -4.345 240 H ARG 571 HN ARG 571 -5.408 0.606 -3.273 241 HA ARG 571 HA ARG 571 -6.789 2.995 -4.053 242 HB2 ARG 571 3HB ARG 571 -7.062 0.537 -4.911 243 HB3 ARG 571 2HB ARG 571 -8.176 0.390 -3.543 244 HG2 ARG 571 3HG ARG 571 -8.550 2.726 -5.332 245 HG3 ARG 571 2HG ARG 571 -8.971 1.128 -5.971 246 HD2 ARG 571 3HD ARG 571 -10.145 0.961 -3.550 247 HD3 ARG 571 2HD ARG 571 -10.240 2.707 -3.819 248 HE ARG 571 HE ARG 571 -11.124 1.341 -6.123 249 HH11 ARG 571 1HH1 ARG 571 -12.085 2.075 -2.859 250 HH12 ARG 571 2HH1 ARG 571 -13.782 2.000 -3.203 251 HH21 ARG 571 1HH2 ARG 571 -13.355 1.239 -6.589 252 HH22 ARG 571 2HH2 ARG 571 -14.503 1.524 -5.324 253 H ARG 572 HN ARG 572 -6.138 1.612 -1.091 254 HA ARG 572 HA ARG 572 -8.616 2.580 0.142 255 HB2 ARG 572 3HB ARG 572 -7.540 0.248 0.584 256 HB3 ARG 572 2HB ARG 572 -6.435 1.155 1.628 257 HG2 ARG 572 3HG ARG 572 -8.051 1.656 3.170 258 HG3 ARG 572 2HG ARG 572 -9.357 1.567 1.976 259 HD2 ARG 572 3HD ARG 572 -9.612 -0.323 3.399 260 HD3 ARG 572 2HD ARG 572 -8.956 -0.912 1.864 261 HE ARG 572 HE ARG 572 -6.928 -0.328 3.808 262 HH11 ARG 572 1HH1 ARG 572 -9.192 -2.719 2.680 263 HH12 ARG 572 2HH1 ARG 572 -8.297 -4.058 3.319 264 HH21 ARG 572 1HH2 ARG 572 -5.740 -2.081 4.655 265 HH22 ARG 572 2HH2 ARG 572 -6.334 -3.694 4.443 266 H PHE 573 HN PHE 573 -5.107 2.970 0.255 267 HA PHE 573 HA PHE 573 -5.497 5.391 1.888 268 HB2 PHE 573 3HB PHE 573 -3.261 3.378 1.802 269 HB3 PHE 573 2HB PHE 573 -2.979 5.013 2.403 270 HD1 PHE 573 2HD PHE 573 -4.768 1.872 3.028 271 HD2 PHE 573 1HD PHE 573 -3.835 5.751 4.508 272 HE1 PHE 573 2HE PHE 573 -5.616 1.225 5.245 273 HE2 PHE 573 1HE PHE 573 -4.680 5.111 6.729 274 HZ PHE 573 HZ PHE 573 -5.574 2.846 7.099 275 HA PRO 574 HA PRO 574 -3.980 6.679 -2.320 276 HB2 PRO 574 3HB PRO 574 -5.804 8.698 -2.637 277 HB3 PRO 574 2HB PRO 574 -6.118 7.023 -3.087 278 HG2 PRO 574 3HG PRO 574 -6.878 8.494 -0.586 279 HG3 PRO 574 2HG PRO 574 -7.877 7.396 -1.612 280 HD2 PRO 574 3HD PRO 574 -6.748 6.595 0.724 281 HD3 PRO 574 2HD PRO 574 -6.955 5.510 -0.661 282 H GLN 575 HN GLN 575 -4.254 7.993 0.789 283 HA GLN 575 HA GLN 575 -2.703 10.374 0.017 284 HB2 GLN 575 3HB GLN 575 -3.508 11.492 1.949 285 HB3 GLN 575 2HB GLN 575 -4.912 10.721 1.194 286 HG2 GLN 575 3HG GLN 575 -4.467 8.781 2.833 287 HG3 GLN 575 2HG GLN 575 -3.479 9.962 3.705 288 HE21 GLN 575 1HE2 GLN 575 -4.483 11.827 4.565 289 HE22 GLN 575 2HE2 GLN 575 -6.175 11.845 4.909 290 H LEU 576 HN LEU 576 -2.544 7.368 1.556 291 HA LEU 576 HA LEU 576 0.027 8.104 2.791 292 HB2 LEU 576 3HB LEU 576 -2.307 6.970 4.010 293 HB3 LEU 576 2HB LEU 576 -0.981 5.795 4.067 294 HG LEU 576 HG LEU 576 -0.996 8.577 5.230 295 HD11 LEU 576 1HD1 LEU 576 -2.197 6.992 6.581 296 HD12 LEU 576 2HD1 LEU 576 -0.646 7.339 7.345 297 HD13 LEU 576 3HD1 LEU 576 -0.876 5.829 6.463 298 HD21 LEU 576 3HD2 LEU 576 1.271 7.546 6.162 299 HD22 LEU 576 1HD2 LEU 576 1.202 8.472 4.662 300 HD23 LEU 576 2HD2 LEU 576 1.221 6.708 4.609 301 H LEU 577 HN LEU 577 1.601 7.225 1.629 302 HA LEU 577 HA LEU 577 1.287 4.441 0.728 303 HB2 LEU 577 3HB LEU 577 2.403 6.794 -0.792 304 HB3 LEU 577 2HB LEU 577 2.742 5.113 -1.239 305 HG LEU 577 HG LEU 577 1.008 5.889 -2.662 306 HD11 LEU 577 1HD1 LEU 577 0.808 3.608 -1.464 307 HD12 LEU 577 2HD1 LEU 577 -0.579 4.231 -2.357 308 HD13 LEU 577 3HD1 LEU 577 -0.530 4.364 -0.600 309 HD21 LEU 577 3HD2 LEU 577 -0.727 7.222 -2.076 310 HD22 LEU 577 1HD2 LEU 577 0.371 7.664 -0.768 311 HD23 LEU 577 2HD2 LEU 577 -0.906 6.480 -0.485 312 H ASP 578 HN ASP 578 2.521 3.522 2.310 313 HA ASP 578 HA ASP 578 5.366 4.276 2.321 314 HB2 ASP 578 3HB ASP 578 3.475 4.047 4.581 315 HB3 ASP 578 2HB ASP 578 5.037 3.253 4.821 316 HD2 ASP 578 HD ASP 578 6.593 6.240 5.379 317 HA PRO 579 HA PRO 579 6.228 0.047 1.516 318 HB2 PRO 579 3HB PRO 579 8.677 -0.214 2.717 319 HB3 PRO 579 2HB PRO 579 8.416 0.682 1.221 320 HG2 PRO 579 3HG PRO 579 8.601 1.696 4.038 321 HG3 PRO 579 2HG PRO 579 9.374 2.339 2.541 322 HD2 PRO 579 3HD PRO 579 7.153 3.450 3.637 323 HD3 PRO 579 2HD PRO 579 7.444 3.417 1.889 324 H GLN 580 HN GLN 580 7.050 0.973 4.865 325 HA GLN 580 HA GLN 580 6.534 -1.692 5.832 326 HB2 GLN 580 3HB GLN 580 7.320 0.908 7.133 327 HB3 GLN 580 2HB GLN 580 6.874 -0.508 8.098 328 HG2 GLN 580 3HG GLN 580 8.819 -1.544 7.729 329 HG3 GLN 580 2HG GLN 580 8.844 -1.077 6.023 330 HE21 GLN 580 1HE2 GLN 580 8.926 1.566 6.004 331 HE22 GLN 580 2HE2 GLN 580 10.321 2.168 6.827 332 H GLN 581 HN GLN 581 5.035 1.506 6.272 333 HA GLN 581 HA GLN 581 2.965 0.835 7.951 334 HB2 GLN 581 3HB GLN 581 3.695 3.069 6.505 335 HB3 GLN 581 2HB GLN 581 2.122 2.642 5.810 336 HG2 GLN 581 3HG GLN 581 1.048 2.780 7.944 337 HG3 GLN 581 2HG GLN 581 2.606 2.984 8.757 338 HE21 GLN 581 1HE2 GLN 581 3.877 4.833 7.290 339 HE22 GLN 581 2HE2 GLN 581 3.009 6.327 7.294 340 H LEU 582 HN LEU 582 3.273 0.232 4.516 341 HA LEU 582 HA LEU 582 0.567 -0.506 4.062 342 HB2 LEU 582 3HB LEU 582 3.138 -0.717 2.590 343 HB3 LEU 582 2HB LEU 582 1.833 -1.814 2.109 344 HG LEU 582 HG LEU 582 1.640 1.198 2.153 345 HD11 LEU 582 1HD1 LEU 582 3.160 0.031 0.420 346 HD12 LEU 582 2HD1 LEU 582 1.975 1.212 -0.137 347 HD13 LEU 582 3HD1 LEU 582 1.645 -0.513 -0.301 348 HD21 LEU 582 3HD2 LEU 582 -0.384 0.433 0.616 349 HD22 LEU 582 1HD2 LEU 582 -0.544 0.594 2.365 350 HD23 LEU 582 2HD2 LEU 582 -0.293 -0.996 1.645 351 H ALA 583 HN ALA 583 3.480 -2.297 4.931 352 HA ALA 583 HA ALA 583 2.593 -4.898 4.604 353 HB1 ALA 583 1HB ALA 583 4.296 -5.560 6.140 354 HB2 ALA 583 2HB ALA 583 4.905 -4.179 5.227 355 HB3 ALA 583 3HB ALA 583 4.330 -3.958 6.880 356 H ALA 584 HN ALA 584 1.894 -2.611 7.170 357 HA ALA 584 HA ALA 584 0.729 -4.467 8.975 358 HB1 ALA 584 1HB ALA 584 1.222 -1.653 8.888 359 HB2 ALA 584 2HB ALA 584 -0.442 -1.943 9.399 360 HB3 ALA 584 3HB ALA 584 0.894 -2.683 10.282 361 H GLU 585 HN GLU 585 -0.646 -2.266 6.547 362 HA GLU 585 HA GLU 585 -3.346 -2.959 7.043 363 HB2 GLU 585 3HB GLU 585 -2.101 -1.854 4.514 364 HB3 GLU 585 2HB GLU 585 -3.823 -1.840 4.919 365 HG2 GLU 585 3HG GLU 585 -1.707 -0.451 6.557 366 HG3 GLU 585 2HG GLU 585 -2.641 0.327 5.271 367 HE2 GLU 585 HE GLU 585 -4.368 0.911 8.401 368 H ILE 586 HN ILE 586 -0.975 -4.091 4.663 369 HA ILE 586 HA ILE 586 -2.673 -5.807 3.238 370 HB ILE 586 HB ILE 586 0.298 -6.092 3.699 371 HG12 ILE 586 1HG1 ILE 586 -1.091 -4.921 1.290 372 HG13 ILE 586 2HG1 ILE 586 -0.597 -3.923 2.668 373 HG21 ILE 586 1HG2 ILE 586 0.069 -7.257 1.399 374 HG22 ILE 586 2HG2 ILE 586 -0.342 -8.152 2.861 375 HG23 ILE 586 3HG2 ILE 586 -1.620 -7.463 1.861 376 HD11 ILE 586 3HD1 ILE 586 1.070 -3.794 0.945 377 HD12 ILE 586 1HD1 ILE 586 1.729 -4.649 2.338 378 HD13 ILE 586 2HD1 ILE 586 1.218 -5.551 0.909 379 H LEU 587 HN LEU 587 -0.861 -6.259 6.210 380 HA LEU 587 HA LEU 587 -1.038 -9.045 6.419 381 HB2 LEU 587 3HB LEU 587 -0.668 -6.790 8.336 382 HB3 LEU 587 2HB LEU 587 -1.056 -8.393 8.985 383 HG LEU 587 HG LEU 587 1.285 -7.886 7.158 384 HD11 LEU 587 1HD1 LEU 587 1.734 -8.323 10.040 385 HD12 LEU 587 2HD1 LEU 587 1.107 -6.740 9.580 386 HD13 LEU 587 3HD1 LEU 587 2.619 -7.323 8.886 387 HD21 LEU 587 3HD2 LEU 587 1.227 -10.087 9.123 388 HD22 LEU 587 1HD2 LEU 587 1.841 -10.052 7.469 389 HD23 LEU 587 2HD2 LEU 587 0.111 -10.226 7.763 390 H SER 588 HN SER 588 -3.180 -6.524 7.737 391 HA SER 588 HA SER 588 -5.052 -8.343 8.842 392 HB2 SER 588 1HB SER 588 -5.027 -6.142 9.745 393 HB3 SER 588 2HB SER 588 -5.211 -5.411 8.141 394 HG SER 588 HG SER 588 -7.149 -6.947 9.533 395 H TYR 589 HN TYR 589 -4.898 -6.592 5.774 396 HA TYR 589 HA TYR 589 -7.431 -7.285 4.800 397 HB2 TYR 589 3HB TYR 589 -6.102 -5.540 3.761 398 HB3 TYR 589 2HB TYR 589 -4.866 -6.714 3.301 399 HD1 TYR 589 2HD TYR 589 -8.500 -6.030 2.792 400 HD2 TYR 589 1HD TYR 589 -4.912 -7.656 1.185 401 HE1 TYR 589 2HE TYR 589 -9.645 -6.425 0.652 402 HE2 TYR 589 1HE TYR 589 -6.048 -8.055 -0.961 403 HH TYR 589 HH TYR 589 -7.933 -7.354 -2.204 404 H LYS 590 HN LYS 590 -4.318 -8.943 4.564 405 HA LYS 590 HA LYS 590 -5.179 -11.011 2.841 406 HB2 LYS 590 3HB LYS 590 -2.775 -10.251 3.574 407 HB3 LYS 590 2HB LYS 590 -3.013 -11.440 4.864 408 HG2 LYS 590 3HG LYS 590 -1.970 -12.733 3.290 409 HG3 LYS 590 2HG LYS 590 -3.671 -13.017 2.881 410 HD2 LYS 590 3HD LYS 590 -3.383 -10.991 1.280 411 HD3 LYS 590 2HD LYS 590 -1.651 -11.313 1.468 412 HE2 LYS 590 3HE LYS 590 -3.651 -13.425 0.643 413 HE3 LYS 590 2HE LYS 590 -2.755 -12.422 -0.508 414 HZ1 LYS 590 3HZ LYS 590 -0.782 -13.341 1.059 415 HZ2 LYS 590 1HZ LYS 590 -1.260 -14.064 -0.393 416 HZ3 LYS 590 2HZ LYS 590 -1.845 -14.658 1.079 417 H SER 591 HN SER 591 -4.986 -10.760 6.368 418 HA SER 591 HA SER 591 -5.723 -13.399 6.966 419 HB2 SER 591 1HB SER 591 -4.770 -11.635 8.549 420 HB3 SER 591 2HB SER 591 -6.422 -11.005 8.668 421 HG SER 591 HG SER 591 -5.343 -13.095 9.941 422 H GLN 592 HN GLN 592 -7.630 -10.549 6.225 423 HA GLN 592 HA GLN 592 -10.141 -11.415 7.062 424 HB2 GLN 592 3HB GLN 592 -9.149 -9.489 5.009 425 HB3 GLN 592 2HB GLN 592 -10.859 -9.948 4.964 426 HG2 GLN 592 3HG GLN 592 -11.030 -9.281 7.370 427 HG3 GLN 592 2HG GLN 592 -9.383 -8.649 7.239 428 HE21 GLN 592 1HE2 GLN 592 -12.533 -8.437 5.626 429 HE22 GLN 592 2HE2 GLN 592 -12.429 -6.750 5.268 430 H HIS 593 HN HIS 593 -8.360 -12.101 4.104 431 HA HIS 593 HA HIS 593 -10.559 -13.823 3.192 432 HB2 HIS 593 3HB HIS 593 -8.238 -12.532 1.765 433 HB3 HIS 593 2HB HIS 593 -9.152 -13.855 1.033 434 HD1 HIS 593 1HD HIS 593 -10.150 -12.427 -0.836 435 HD2 HIS 593 2HD HIS 593 -11.039 -11.031 2.974 436 HE1 HIS 593 1HE HIS 593 -11.933 -10.682 -1.158 437 HE2 HIS 593 2HE HIS 593 -12.476 -9.829 1.171 438 H LEU 594 HN LEU 594 -9.099 -14.780 5.326 439 HA LEU 594 HA LEU 594 -7.310 -16.789 4.136 440 HB2 LEU 594 3HB LEU 594 -6.376 -15.333 5.919 441 HB3 LEU 594 2HB LEU 594 -7.589 -15.992 7.030 442 HG LEU 594 HG LEU 594 -6.555 -18.271 6.576 443 HD11 LEU 594 1HD1 LEU 594 -4.147 -18.142 5.888 444 HD12 LEU 594 2HD1 LEU 594 -4.460 -16.495 5.345 445 HD13 LEU 594 3HD1 LEU 594 -5.312 -17.846 4.596 446 HD21 LEU 594 3HD2 LEU 594 -5.043 -18.020 8.333 447 HD22 LEU 594 1HD2 LEU 594 -6.204 -16.718 8.591 448 HD23 LEU 594 2HD2 LEU 594 -4.633 -16.368 7.870 449 H SER 595 HN SER 595 -7.792 -18.908 4.231 450 HA SER 595 HA SER 595 -10.430 -19.644 5.191 451 HB2 SER 595 1HB SER 595 -9.442 -20.384 2.956 452 HB3 SER 595 2HB SER 595 -8.405 -21.472 3.895 453 HG SER 595 HG SER 595 -10.040 -22.757 4.197 454 H GLU 596 HN GLU 596 -9.914 -19.333 7.462 455 HA GLU 596 HA GLU 596 -8.245 -21.466 8.606 456 HB2 GLU 596 3HB GLU 596 -7.623 -19.173 9.237 457 HB3 GLU 596 2HB GLU 596 -9.252 -18.918 9.885 458 HG2 GLU 596 3HG GLU 596 -8.131 -19.398 11.810 459 HG3 GLU 596 2HG GLU 596 -8.667 -21.018 11.338 460 HE2 GLU 596 HE GLU 596 -4.851 -20.368 11.637 Start of MODEL 18 1 H1 GLY 540 HN GLY 540 -9.519 26.686 -0.098 2 HA2 GLY 540 2HA GLY 540 -9.291 24.848 -1.490 3 HA3 GLY 540 3HA GLY 540 -9.066 26.109 -2.692 4 HA PRO 541 HA PRO 541 -4.631 24.736 -1.312 5 HB2 PRO 541 3HB PRO 541 -4.479 22.496 0.257 6 HB3 PRO 541 2HB PRO 541 -4.612 24.130 0.905 7 HG2 PRO 541 3HG PRO 541 -6.757 22.081 0.460 8 HG3 PRO 541 2HG PRO 541 -6.468 23.137 1.893 9 HD2 PRO 541 3HD PRO 541 -8.373 23.676 0.037 10 HD3 PRO 541 2HD PRO 541 -7.477 24.947 0.886 11 H HIS 542 HN HIS 542 -3.234 22.780 -1.864 12 HA HIS 542 HA HIS 542 -4.593 20.726 -3.413 13 HB2 HIS 542 3HB HIS 542 -3.113 21.164 -5.396 14 HB3 HIS 542 2HB HIS 542 -4.344 22.397 -5.106 15 HD1 HIS 542 1HD HIS 542 -3.568 24.759 -4.852 16 HD2 HIS 542 2HD HIS 542 -0.454 22.026 -4.537 17 HE1 HIS 542 1HE HIS 542 -1.467 26.138 -4.777 18 HE2 HIS 542 2HE HIS 542 0.438 24.469 -4.585 19 H MET 543 HN MET 543 -2.890 19.191 -4.392 20 HA MET 543 HA MET 543 -0.441 19.057 -2.817 21 HB2 MET 543 3HB MET 543 -2.284 16.669 -2.966 22 HB3 MET 543 2HB MET 543 -0.828 16.863 -1.977 23 HG2 MET 543 3HG MET 543 -1.980 18.643 -0.686 24 HG3 MET 543 2HG MET 543 -3.440 18.312 -1.621 25 HE1 MET 543 3HE MET 543 -4.748 18.146 0.135 26 HE2 MET 543 1HE MET 543 -5.257 16.531 0.627 27 HE3 MET 543 2HE MET 543 -4.256 17.506 1.703 28 H GLY 544 HN GLY 544 1.147 18.746 -4.225 29 HA2 GLY 544 2HA GLY 544 0.702 16.855 -6.441 30 HA3 GLY 544 3HA GLY 544 1.390 18.440 -6.759 31 H ASP 545 HN ASP 545 2.200 16.796 -3.821 32 HA ASP 545 HA ASP 545 4.900 16.313 -4.893 33 HB2 ASP 545 3HB ASP 545 5.433 16.299 -2.314 34 HB3 ASP 545 2HB ASP 545 5.262 17.827 -3.189 35 HD2 ASP 545 HD ASP 545 2.404 18.688 -1.458 36 H LEU 546 HN LEU 546 2.174 14.905 -3.275 37 HA LEU 546 HA LEU 546 3.247 12.642 -2.120 38 HB2 LEU 546 3HB LEU 546 0.626 13.371 -3.292 39 HB3 LEU 546 2HB LEU 546 0.944 11.641 -3.077 40 HG LEU 546 HG LEU 546 1.006 13.721 -0.892 41 HD11 LEU 546 1HD1 LEU 546 -1.078 11.856 -1.895 42 HD12 LEU 546 2HD1 LEU 546 -1.235 13.487 -1.244 43 HD13 LEU 546 3HD1 LEU 546 -0.961 12.127 -0.156 44 HD21 LEU 546 3HD2 LEU 546 2.032 11.022 -1.060 45 HD22 LEU 546 1HD2 LEU 546 0.815 11.180 0.206 46 HD23 LEU 546 2HD2 LEU 546 2.233 12.229 0.212 47 H ALA 547 HN ALA 547 2.735 13.358 -5.494 48 HA ALA 547 HA ALA 547 2.809 10.847 -6.643 49 HB1 ALA 547 1HB ALA 547 4.402 12.896 -8.031 50 HB2 ALA 547 2HB ALA 547 3.039 11.931 -8.603 51 HB3 ALA 547 3HB ALA 547 2.753 13.363 -7.614 52 H LYS 548 HN LYS 548 5.454 12.787 -5.374 53 HA LYS 548 HA LYS 548 7.562 11.193 -6.397 54 HB2 LYS 548 3HB LYS 548 7.464 13.608 -5.224 55 HB3 LYS 548 2HB LYS 548 7.960 12.632 -3.832 56 HG2 LYS 548 3HG LYS 548 9.971 13.360 -4.749 57 HG3 LYS 548 2HG LYS 548 9.789 11.707 -5.364 58 HD2 LYS 548 3HD LYS 548 10.418 12.882 -7.266 59 HD3 LYS 548 2HD LYS 548 8.652 12.836 -7.397 60 HE2 LYS 548 3HE LYS 548 9.153 15.063 -7.875 61 HE3 LYS 548 2HE LYS 548 8.711 15.097 -6.162 62 HZ1 LYS 548 3HZ LYS 548 11.034 16.043 -7.266 63 HZ2 LYS 548 1HZ LYS 548 11.494 14.604 -6.505 64 HZ3 LYS 548 2HZ LYS 548 10.723 15.819 -5.618 65 H GLU 549 HN GLU 549 5.707 11.125 -3.399 66 HA GLU 549 HA GLU 549 7.264 9.247 -2.012 67 HB2 GLU 549 3HB GLU 549 4.566 10.391 -1.784 68 HB3 GLU 549 2HB GLU 549 4.718 8.757 -1.123 69 HG2 GLU 549 3HG GLU 549 6.217 9.393 0.509 70 HG3 GLU 549 2HG GLU 549 6.722 10.836 -0.384 71 HE2 GLU 549 HE GLU 549 3.557 11.081 1.969 72 H ARG 550 HN ARG 550 4.200 8.697 -3.761 73 HA ARG 550 HA ARG 550 4.165 5.936 -3.617 74 HB2 ARG 550 3HB ARG 550 2.467 7.707 -4.611 75 HB3 ARG 550 2HB ARG 550 3.241 7.245 -6.135 76 HG2 ARG 550 3HG ARG 550 2.602 4.956 -5.864 77 HG3 ARG 550 2HG ARG 550 2.010 5.275 -4.226 78 HD2 ARG 550 3HD ARG 550 0.239 5.108 -6.036 79 HD3 ARG 550 2HD ARG 550 0.191 6.552 -5.015 80 HE ARG 550 HE ARG 550 0.617 7.825 -6.863 81 HH11 ARG 550 1HH1 ARG 550 1.480 4.522 -7.546 82 HH12 ARG 550 2HH1 ARG 550 1.797 4.814 -9.224 83 HH21 ARG 550 1HH2 ARG 550 1.032 8.224 -9.071 84 HH22 ARG 550 2HH2 ARG 550 1.543 6.921 -10.090 85 H ALA 551 HN ALA 551 5.992 8.026 -5.737 86 HA ALA 551 HA ALA 551 6.730 6.195 -7.714 87 HB1 ALA 551 1HB ALA 551 7.473 8.836 -6.930 88 HB2 ALA 551 2HB ALA 551 8.931 7.902 -7.268 89 HB3 ALA 551 3HB ALA 551 7.672 8.044 -8.494 90 H GLY 552 HN GLY 552 8.596 7.163 -4.823 91 HA2 GLY 552 2HA GLY 552 10.499 5.048 -5.184 92 HA3 GLY 552 3HA GLY 552 10.388 6.126 -3.800 93 H VAL 553 HN VAL 553 7.831 5.612 -2.905 94 HA VAL 553 HA VAL 553 8.153 3.420 -1.262 95 HB VAL 553 HB VAL 553 5.551 4.622 -2.215 96 HG11 VAL 553 1HG1 VAL 553 4.929 3.709 0.192 97 HG12 VAL 553 2HG1 VAL 553 4.788 2.701 -1.249 98 HG13 VAL 553 3HG1 VAL 553 6.193 2.542 -0.195 99 HG21 VAL 553 3HG2 VAL 553 6.641 5.187 0.473 100 HG22 VAL 553 1HG2 VAL 553 7.481 5.926 -0.891 101 HG23 VAL 553 2HG2 VAL 553 5.763 6.236 -0.640 102 H TYR 554 HN TYR 554 6.072 3.580 -4.156 103 HA TYR 554 HA TYR 554 5.259 0.938 -4.210 104 HB2 TYR 554 3HB TYR 554 4.289 2.638 -5.663 105 HB3 TYR 554 2HB TYR 554 5.811 2.780 -6.546 106 HD1 TYR 554 2HD TYR 554 2.986 0.494 -5.856 107 HD2 TYR 554 1HD TYR 554 6.377 1.289 -8.300 108 HE1 TYR 554 2HE TYR 554 2.268 -1.267 -7.415 109 HE2 TYR 554 1HE TYR 554 5.667 -0.470 -9.867 110 HH TYR 554 HH TYR 554 4.066 -1.923 -10.402 111 H THR 555 HN THR 555 8.173 2.388 -5.602 112 HA THR 555 HA THR 555 9.178 0.238 -7.011 113 HB THR 555 HB THR 555 10.818 2.187 -5.379 114 HG1 THR 555 1HG THR 555 10.888 3.187 -7.609 115 HG21 THR 555 3HG2 THR 555 12.427 0.739 -6.079 116 HG22 THR 555 1HG2 THR 555 12.296 1.693 -7.556 117 HG23 THR 555 2HG2 THR 555 11.461 0.145 -7.429 118 H LYS 556 HN LYS 556 9.478 0.943 -3.554 119 HA LYS 556 HA LYS 556 11.116 -1.358 -3.033 120 HB2 LYS 556 3HB LYS 556 9.951 0.869 -1.480 121 HB3 LYS 556 2HB LYS 556 10.157 -0.648 -0.589 122 HG2 LYS 556 3HG LYS 556 12.196 0.216 -0.166 123 HG3 LYS 556 2HG LYS 556 12.564 -0.503 -1.745 124 HD2 LYS 556 3HD LYS 556 12.449 1.548 -2.859 125 HD3 LYS 556 2HD LYS 556 11.530 2.305 -1.546 126 HE2 LYS 556 3HE LYS 556 14.346 1.322 -1.119 127 HE3 LYS 556 2HE LYS 556 14.014 2.918 -1.805 128 HZ1 LYS 556 3HZ LYS 556 13.962 3.557 0.324 129 HZ2 LYS 556 1HZ LYS 556 13.716 1.990 0.911 130 HZ3 LYS 556 2HZ LYS 556 12.405 2.897 0.347 131 H LEU 557 HN LEU 557 7.703 -0.608 -2.954 132 HA LEU 557 HA LEU 557 6.750 -2.702 -1.392 133 HB2 LEU 557 3HB LEU 557 5.664 -0.928 -3.482 134 HB3 LEU 557 2HB LEU 557 4.805 -2.465 -3.270 135 HG LEU 557 HG LEU 557 3.727 -0.746 -1.971 136 HD11 LEU 557 1HD1 LEU 557 5.045 -2.127 0.249 137 HD12 LEU 557 2HD1 LEU 557 4.457 -3.190 -1.029 138 HD13 LEU 557 3HD1 LEU 557 3.345 -2.086 -0.219 139 HD21 LEU 557 3HD2 LEU 557 6.468 -0.313 -0.808 140 HD22 LEU 557 1HD2 LEU 557 4.993 0.271 -0.038 141 HD23 LEU 557 2HD2 LEU 557 5.440 0.853 -1.642 142 H CYS 558 HN CYS 558 7.888 -2.679 -4.691 143 HA CYS 558 HA CYS 558 6.816 -5.162 -5.503 144 HB2 CYS 558 3HB CYS 558 9.355 -3.823 -6.452 145 HB3 CYS 558 2HB CYS 558 8.438 -5.066 -7.320 146 HG CYS 558 HG CYS 558 7.554 -1.811 -6.819 147 H GLY 559 HN GLY 559 9.275 -4.389 -3.298 148 HA2 GLY 559 2HA GLY 559 10.433 -7.094 -3.524 149 HA3 GLY 559 3HA GLY 559 11.259 -5.710 -2.824 150 H VAL 560 HN VAL 560 8.174 -5.462 -1.779 151 HA VAL 560 HA VAL 560 8.741 -7.019 0.660 152 HB VAL 560 HB VAL 560 7.058 -4.518 0.517 153 HG11 VAL 560 1HG1 VAL 560 6.483 -5.918 2.379 154 HG12 VAL 560 2HG1 VAL 560 8.182 -6.115 2.813 155 HG13 VAL 560 3HG1 VAL 560 7.405 -4.541 2.980 156 HG21 VAL 560 3HG2 VAL 560 9.029 -3.473 0.201 157 HG22 VAL 560 1HG2 VAL 560 9.256 -3.789 1.922 158 HG23 VAL 560 2HG2 VAL 560 9.972 -4.869 0.724 159 H PHE 561 HN PHE 561 6.459 -6.264 -1.831 160 HA PHE 561 HA PHE 561 4.800 -8.485 -1.044 161 HB2 PHE 561 3HB PHE 561 3.864 -5.640 -0.806 162 HB3 PHE 561 2HB PHE 561 2.716 -6.917 -1.213 163 HD1 PHE 561 2HD PHE 561 2.518 -8.912 0.352 164 HD2 PHE 561 1HD PHE 561 4.467 -5.283 1.427 165 HE1 PHE 561 2HE PHE 561 2.277 -9.491 2.731 166 HE2 PHE 561 1HE PHE 561 4.229 -5.857 3.807 167 HZ PHE 561 HZ PHE 561 3.132 -7.963 4.462 168 HA PRO 562 HA PRO 562 4.072 -8.775 -5.359 169 HB2 PRO 562 3HB PRO 562 1.527 -9.780 -5.460 170 HB3 PRO 562 2HB PRO 562 2.923 -10.720 -4.937 171 HG2 PRO 562 3HG PRO 562 0.885 -9.266 -3.286 172 HG3 PRO 562 2HG PRO 562 1.558 -10.925 -3.066 173 HD2 PRO 562 3HD PRO 562 2.394 -8.798 -1.601 174 HD3 PRO 562 2HD PRO 562 3.476 -10.120 -2.072 175 HA PRO 563 HA PRO 563 1.916 -5.322 -7.020 176 HB2 PRO 563 3HB PRO 563 0.904 -6.297 -9.372 177 HB3 PRO 563 2HB PRO 563 2.618 -5.987 -9.105 178 HG2 PRO 563 3HG PRO 563 1.097 -8.562 -8.895 179 HG3 PRO 563 2HG PRO 563 2.685 -8.237 -9.686 180 HD2 PRO 563 3HD PRO 563 2.476 -9.393 -7.239 181 HD3 PRO 563 2HD PRO 563 3.810 -8.313 -7.676 182 H HIS 564 HN HIS 564 -0.029 -8.297 -7.306 183 HA HIS 564 HA HIS 564 -2.533 -7.127 -7.547 184 HB2 HIS 564 3HB HIS 564 -3.421 -9.223 -7.195 185 HB3 HIS 564 2HB HIS 564 -1.763 -9.637 -7.637 186 HD1 HIS 564 1HD HIS 564 -0.202 -10.529 -5.768 187 HD2 HIS 564 2HD HIS 564 -4.101 -9.796 -4.536 188 HE1 HIS 564 1HE HIS 564 -0.419 -11.646 -3.525 189 HE2 HIS 564 2HE HIS 564 -2.802 -11.196 -2.770 190 H LEU 565 HN LEU 565 -0.485 -7.423 -4.776 191 HA LEU 565 HA LEU 565 -2.591 -6.881 -2.871 192 HB2 LEU 565 3HB LEU 565 0.298 -7.509 -2.778 193 HB3 LEU 565 2HB LEU 565 -0.321 -6.483 -1.472 194 HG LEU 565 HG LEU 565 -1.317 -9.245 -2.171 195 HD11 LEU 565 1HD1 LEU 565 0.498 -9.869 -1.024 196 HD12 LEU 565 2HD1 LEU 565 -0.384 -9.305 0.395 197 HD13 LEU 565 3HD1 LEU 565 0.780 -8.245 -0.398 198 HD21 LEU 565 3HD2 LEU 565 -3.191 -8.353 -1.241 199 HD22 LEU 565 1HD2 LEU 565 -2.298 -7.122 -0.347 200 HD23 LEU 565 2HD2 LEU 565 -2.335 -8.785 0.240 201 H VAL 566 HN VAL 566 0.425 -5.182 -3.743 202 HA VAL 566 HA VAL 566 -0.075 -2.792 -2.460 203 HB VAL 566 HB VAL 566 1.353 -3.158 -5.098 204 HG11 VAL 566 1HG1 VAL 566 2.584 -1.092 -4.335 205 HG12 VAL 566 2HG1 VAL 566 0.910 -0.846 -4.835 206 HG13 VAL 566 3HG1 VAL 566 1.322 -0.890 -3.120 207 HG21 VAL 566 3HG2 VAL 566 3.136 -3.940 -3.989 208 HG22 VAL 566 1HG2 VAL 566 2.931 -2.793 -2.665 209 HG23 VAL 566 2HG2 VAL 566 1.995 -4.287 -2.690 210 H GLU 567 HN GLU 567 -0.812 -3.580 -5.859 211 HA GLU 567 HA GLU 567 -2.010 -1.207 -6.601 212 HB2 GLU 567 3HB GLU 567 -2.524 -4.055 -7.444 213 HB3 GLU 567 2HB GLU 567 -3.391 -2.695 -8.175 214 HG2 GLU 567 3HG GLU 567 -1.112 -1.702 -8.703 215 HG3 GLU 567 2HG GLU 567 -0.452 -3.287 -8.273 216 HE2 GLU 567 HE GLU 567 -2.935 -3.773 -11.266 217 H ALA 568 HN ALA 568 -3.268 -3.778 -4.618 218 HA ALA 568 HA ALA 568 -5.987 -2.799 -4.700 219 HB1 ALA 568 1HB ALA 568 -4.764 -5.224 -4.015 220 HB2 ALA 568 2HB ALA 568 -5.495 -4.615 -2.530 221 HB3 ALA 568 3HB ALA 568 -6.485 -4.837 -3.973 222 H VAL 569 HN VAL 569 -3.571 -3.193 -2.099 223 HA VAL 569 HA VAL 569 -4.900 -1.804 -0.112 224 HB VAL 569 HB VAL 569 -1.910 -1.769 -0.522 225 HG11 VAL 569 1HG1 VAL 569 -1.834 -1.600 1.920 226 HG12 VAL 569 2HG1 VAL 569 -2.704 -0.242 1.202 227 HG13 VAL 569 3HG1 VAL 569 -3.596 -1.557 1.969 228 HG21 VAL 569 3HG2 VAL 569 -2.587 -3.762 1.318 229 HG22 VAL 569 1HG2 VAL 569 -3.692 -3.977 -0.040 230 HG23 VAL 569 2HG2 VAL 569 -1.950 -3.984 -0.312 231 H MET 570 HN MET 570 -2.880 -0.569 -2.722 232 HA MET 570 HA MET 570 -2.600 2.069 -1.855 233 HB2 MET 570 3HB MET 570 -2.629 0.778 -4.570 234 HB3 MET 570 2HB MET 570 -2.488 2.534 -4.407 235 HG2 MET 570 3HG MET 570 -0.592 1.612 -2.635 236 HG3 MET 570 2HG MET 570 -0.506 0.452 -3.964 237 HE1 MET 570 3HE MET 570 2.207 1.557 -4.130 238 HE2 MET 570 1HE MET 570 2.386 3.310 -4.204 239 HE3 MET 570 2HE MET 570 1.627 2.559 -2.799 240 H ARG 571 HN ARG 571 -5.316 0.408 -3.229 241 HA ARG 571 HA ARG 571 -6.757 2.772 -3.985 242 HB2 ARG 571 3HB ARG 571 -6.981 0.256 -4.787 243 HB3 ARG 571 2HB ARG 571 -8.149 0.187 -3.460 244 HG2 ARG 571 3HG ARG 571 -8.390 2.445 -5.377 245 HG3 ARG 571 2HG ARG 571 -8.855 0.826 -5.929 246 HD2 ARG 571 3HD ARG 571 -10.110 0.827 -3.560 247 HD3 ARG 571 2HD ARG 571 -10.101 2.567 -3.881 248 HE ARG 571 HE ARG 571 -11.018 1.521 -6.202 249 HH11 ARG 571 1HH1 ARG 571 -11.947 1.141 -2.869 250 HH12 ARG 571 2HH1 ARG 571 -13.615 0.846 -3.231 251 HH21 ARG 571 1HH2 ARG 571 -13.211 1.135 -6.693 252 HH22 ARG 571 2HH2 ARG 571 -14.333 0.843 -5.407 253 H ARG 572 HN ARG 572 -6.028 1.389 -1.042 254 HA ARG 572 HA ARG 572 -8.509 2.270 0.241 255 HB2 ARG 572 3HB ARG 572 -7.556 0.007 0.749 256 HB3 ARG 572 2HB ARG 572 -6.170 0.822 1.487 257 HG2 ARG 572 3HG ARG 572 -7.395 0.490 3.363 258 HG3 ARG 572 2HG ARG 572 -8.094 2.036 2.854 259 HD2 ARG 572 3HD ARG 572 -9.299 -0.482 1.792 260 HD3 ARG 572 2HD ARG 572 -9.621 -0.027 3.472 261 HE ARG 572 HE ARG 572 -10.079 2.199 1.822 262 HH11 ARG 572 1HH1 ARG 572 -11.423 -0.929 2.545 263 HH12 ARG 572 2HH1 ARG 572 -13.044 -0.470 2.144 264 HH21 ARG 572 1HH2 ARG 572 -12.210 2.816 1.292 265 HH22 ARG 572 2HH2 ARG 572 -13.491 1.660 1.430 266 H PHE 573 HN PHE 573 -5.016 2.811 0.304 267 HA PHE 573 HA PHE 573 -5.486 5.228 1.922 268 HB2 PHE 573 3HB PHE 573 -3.084 3.404 1.735 269 HB3 PHE 573 2HB PHE 573 -3.003 5.008 2.465 270 HD1 PHE 573 1HD PHE 573 -4.898 1.816 2.714 271 HD2 PHE 573 2HD PHE 573 -3.467 5.293 4.710 272 HE1 PHE 573 1HE PHE 573 -5.679 0.901 4.859 273 HE2 PHE 573 2HE PHE 573 -4.245 4.383 6.860 274 HZ PHE 573 HZ PHE 573 -5.352 2.184 6.937 275 HA PRO 574 HA PRO 574 -4.166 6.601 -2.315 276 HB2 PRO 574 3HB PRO 574 -6.051 8.577 -2.528 277 HB3 PRO 574 2HB PRO 574 -6.345 6.900 -2.982 278 HG2 PRO 574 3HG PRO 574 -7.026 8.328 -0.434 279 HG3 PRO 574 2HG PRO 574 -8.043 7.216 -1.424 280 HD2 PRO 574 3HD PRO 574 -6.792 6.422 0.849 281 HD3 PRO 574 2HD PRO 574 -7.034 5.343 -0.536 282 H GLN 575 HN GLN 575 -4.359 7.896 0.815 283 HA GLN 575 HA GLN 575 -2.856 10.295 -0.002 284 HB2 GLN 575 3HB GLN 575 -3.650 11.429 1.924 285 HB3 GLN 575 2HB GLN 575 -5.056 10.631 1.201 286 HG2 GLN 575 3HG GLN 575 -4.767 8.770 2.840 287 HG3 GLN 575 2HG GLN 575 -3.509 9.737 3.620 288 HE21 GLN 575 1HE2 GLN 575 -4.509 12.231 3.607 289 HE22 GLN 575 2HE2 GLN 575 -5.967 12.311 4.530 290 H LEU 576 HN LEU 576 -2.652 7.307 1.569 291 HA LEU 576 HA LEU 576 -0.084 8.086 2.784 292 HB2 LEU 576 3HB LEU 576 -2.387 6.899 4.001 293 HB3 LEU 576 2HB LEU 576 -1.046 5.740 4.036 294 HG LEU 576 HG LEU 576 -1.089 8.508 5.233 295 HD11 LEU 576 1HD1 LEU 576 -0.961 5.744 6.424 296 HD12 LEU 576 2HD1 LEU 576 -2.268 6.918 6.582 297 HD13 LEU 576 3HD1 LEU 576 -0.702 7.235 7.331 298 HD21 LEU 576 3HD2 LEU 576 1.194 7.304 6.121 299 HD22 LEU 576 1HD2 LEU 576 1.114 8.502 4.828 300 HD23 LEU 576 2HD2 LEU 576 1.136 6.781 4.437 301 H LEU 577 HN LEU 577 1.527 7.232 1.660 302 HA LEU 577 HA LEU 577 1.266 4.460 0.714 303 HB2 LEU 577 3HB LEU 577 2.342 6.848 -0.782 304 HB3 LEU 577 2HB LEU 577 2.706 5.176 -1.245 305 HG LEU 577 HG LEU 577 0.961 5.940 -2.662 306 HD11 LEU 577 1HD1 LEU 577 0.788 3.659 -1.345 307 HD12 LEU 577 2HD1 LEU 577 -0.490 4.197 -2.435 308 HD13 LEU 577 3HD1 LEU 577 -0.664 4.420 -0.693 309 HD21 LEU 577 3HD2 LEU 577 -0.766 7.268 -2.068 310 HD22 LEU 577 1HD2 LEU 577 0.294 7.671 -0.717 311 HD23 LEU 577 2HD2 LEU 577 -0.984 6.474 -0.508 312 H ASP 578 HN ASP 578 2.519 3.545 2.280 313 HA ASP 578 HA ASP 578 5.345 4.368 2.315 314 HB2 ASP 578 3HB ASP 578 3.459 4.255 4.522 315 HB3 ASP 578 2HB ASP 578 4.848 3.197 4.804 316 HD2 ASP 578 HD ASP 578 6.649 5.924 5.785 317 HA PRO 579 HA PRO 579 6.326 0.179 1.446 318 HB2 PRO 579 3HB PRO 579 8.762 -0.050 2.680 319 HB3 PRO 579 2HB PRO 579 8.504 0.872 1.200 320 HG2 PRO 579 3HG PRO 579 8.619 1.828 4.040 321 HG3 PRO 579 2HG PRO 579 9.400 2.522 2.570 322 HD2 PRO 579 3HD PRO 579 7.136 3.557 3.654 323 HD3 PRO 579 2HD PRO 579 7.455 3.567 1.909 324 H GLN 580 HN GLN 580 7.062 1.058 4.828 325 HA GLN 580 HA GLN 580 6.610 -1.640 5.734 326 HB2 GLN 580 3HB GLN 580 7.344 0.957 7.050 327 HB3 GLN 580 2HB GLN 580 6.814 -0.417 8.032 328 HG2 GLN 580 3HG GLN 580 8.796 -1.396 7.895 329 HG3 GLN 580 2HG GLN 580 8.808 -1.244 6.133 330 HE21 GLN 580 1HE2 GLN 580 9.745 0.578 5.179 331 HE22 GLN 580 2HE2 GLN 580 10.847 1.591 6.042 332 H GLN 581 HN GLN 581 5.005 1.499 6.237 333 HA GLN 581 HA GLN 581 2.922 0.739 7.845 334 HB2 GLN 581 3HB GLN 581 3.593 3.001 6.392 335 HB3 GLN 581 2HB GLN 581 2.023 2.524 5.721 336 HG2 GLN 581 3HG GLN 581 0.963 2.662 7.846 337 HG3 GLN 581 2HG GLN 581 2.519 2.849 8.666 338 HE21 GLN 581 1HE2 GLN 581 3.798 4.724 7.246 339 HE22 GLN 581 2HE2 GLN 581 2.931 6.218 7.273 340 H LEU 582 HN LEU 582 2.985 0.633 4.288 341 HA LEU 582 HA LEU 582 0.442 -0.319 3.813 342 HB2 LEU 582 3HB LEU 582 3.061 -0.592 2.409 343 HB3 LEU 582 2HB LEU 582 1.695 -1.581 1.862 344 HG LEU 582 HG LEU 582 1.692 1.433 2.013 345 HD11 LEU 582 1HD1 LEU 582 2.473 1.534 -0.076 346 HD12 LEU 582 2HD1 LEU 582 1.503 0.160 -0.604 347 HD13 LEU 582 3HD1 LEU 582 3.049 -0.111 0.200 348 HD21 LEU 582 3HD2 LEU 582 -0.525 0.519 2.279 349 HD22 LEU 582 1HD2 LEU 582 -0.291 -0.540 0.888 350 HD23 LEU 582 2HD2 LEU 582 -0.365 1.207 0.662 351 H ALA 583 HN ALA 583 3.316 -2.098 4.802 352 HA ALA 583 HA ALA 583 2.487 -4.704 4.406 353 HB1 ALA 583 1HB ALA 583 4.727 -3.773 5.296 354 HB2 ALA 583 2HB ALA 583 3.982 -3.944 6.886 355 HB3 ALA 583 3HB ALA 583 4.181 -5.357 5.850 356 H ALA 584 HN ALA 584 1.902 -2.623 7.230 357 HA ALA 584 HA ALA 584 0.586 -4.420 8.865 358 HB1 ALA 584 1HB ALA 584 0.251 -2.642 10.172 359 HB2 ALA 584 2HB ALA 584 1.128 -1.726 8.944 360 HB3 ALA 584 3HB ALA 584 -0.634 -1.777 8.915 361 H GLU 585 HN GLU 585 -0.873 -2.238 6.453 362 HA GLU 585 HA GLU 585 -3.514 -3.114 6.788 363 HB2 GLU 585 3HB GLU 585 -2.321 -2.097 4.204 364 HB3 GLU 585 2HB GLU 585 -4.005 -1.986 4.734 365 HG2 GLU 585 3HG GLU 585 -1.631 -0.513 5.861 366 HG3 GLU 585 2HG GLU 585 -3.003 0.161 4.973 367 HE2 GLU 585 HE GLU 585 -5.094 -0.307 7.830 368 H ILE 586 HN ILE 586 -1.010 -4.147 4.492 369 HA ILE 586 HA ILE 586 -2.544 -5.993 3.060 370 HB ILE 586 HB ILE 586 0.415 -6.101 3.657 371 HG12 ILE 586 1HG1 ILE 586 -0.872 -5.131 1.115 372 HG13 ILE 586 2HG1 ILE 586 -0.628 -4.036 2.487 373 HG21 ILE 586 1HG2 ILE 586 0.395 -7.375 1.430 374 HG22 ILE 586 2HG2 ILE 586 -0.127 -8.231 2.880 375 HG23 ILE 586 3HG2 ILE 586 -1.324 -7.615 1.741 376 HD11 ILE 586 3HD1 ILE 586 1.221 -3.706 1.088 377 HD12 ILE 586 1HD1 ILE 586 1.812 -4.703 2.416 378 HD13 ILE 586 2HD1 ILE 586 1.456 -5.438 0.852 379 H LEU 587 HN LEU 587 -0.696 -6.355 6.047 380 HA LEU 587 HA LEU 587 -0.917 -9.147 6.290 381 HB2 LEU 587 3HB LEU 587 -0.282 -6.876 8.088 382 HB3 LEU 587 2HB LEU 587 -0.808 -8.381 8.861 383 HG LEU 587 HG LEU 587 1.503 -8.213 6.933 384 HD11 LEU 587 1HD1 LEU 587 2.629 -8.690 9.339 385 HD12 LEU 587 2HD1 LEU 587 1.320 -7.604 9.804 386 HD13 LEU 587 3HD1 LEU 587 2.505 -7.091 8.604 387 HD21 LEU 587 3HD2 LEU 587 1.350 -10.349 8.935 388 HD22 LEU 587 1HD2 LEU 587 1.769 -10.421 7.223 389 HD23 LEU 587 2HD2 LEU 587 0.075 -10.391 7.716 390 H SER 588 HN SER 588 -3.062 -6.523 7.222 391 HA SER 588 HA SER 588 -4.862 -8.206 8.692 392 HB2 SER 588 1HB SER 588 -4.557 -5.741 9.107 393 HB3 SER 588 2HB SER 588 -5.402 -5.445 7.578 394 HG SER 588 HG SER 588 -6.424 -6.099 10.010 395 H TYR 589 HN TYR 589 -4.980 -6.594 5.523 396 HA TYR 589 HA TYR 589 -7.484 -7.484 4.711 397 HB2 TYR 589 3HB TYR 589 -6.350 -5.779 3.460 398 HB3 TYR 589 2HB TYR 589 -5.006 -6.865 3.097 399 HD1 TYR 589 1HD TYR 589 -8.720 -6.789 2.644 400 HD2 TYR 589 2HD TYR 589 -4.929 -7.787 0.989 401 HE1 TYR 589 1HE TYR 589 -9.821 -7.483 0.556 402 HE2 TYR 589 2HE TYR 589 -6.019 -8.482 -1.104 403 HH TYR 589 HH TYR 589 -8.389 -9.332 -1.750 404 H LYS 590 HN LYS 590 -4.392 -9.122 4.714 405 HA LYS 590 HA LYS 590 -5.041 -11.263 3.010 406 HB2 LYS 590 3HB LYS 590 -2.761 -10.497 4.084 407 HB3 LYS 590 2HB LYS 590 -3.213 -11.653 5.347 408 HG2 LYS 590 3HG LYS 590 -1.771 -12.734 3.750 409 HG3 LYS 590 2HG LYS 590 -3.404 -13.414 3.635 410 HD2 LYS 590 3HD LYS 590 -3.805 -12.503 1.570 411 HD3 LYS 590 2HD LYS 590 -2.726 -11.128 1.858 412 HE2 LYS 590 3HE LYS 590 -0.844 -12.271 1.216 413 HE3 LYS 590 2HE LYS 590 -1.508 -13.834 1.714 414 HZ1 LYS 590 3HZ LYS 590 -2.670 -14.072 -0.239 415 HZ2 LYS 590 1HZ LYS 590 -1.273 -13.288 -0.785 416 HZ3 LYS 590 2HZ LYS 590 -2.704 -12.414 -0.567 417 H SER 591 HN SER 591 -5.045 -11.116 6.575 418 HA SER 591 HA SER 591 -6.273 -13.663 6.878 419 HB2 SER 591 1HB SER 591 -5.038 -13.001 8.748 420 HB3 SER 591 2HB SER 591 -5.711 -11.362 8.725 421 HG SER 591 HG SER 591 -6.559 -12.783 10.398 422 H GLN 592 HN GLN 592 -7.468 -10.450 6.388 423 HA GLN 592 HA GLN 592 -10.037 -10.643 7.438 424 HB2 GLN 592 3HB GLN 592 -8.816 -9.074 5.196 425 HB3 GLN 592 2HB GLN 592 -10.569 -9.028 5.438 426 HG2 GLN 592 3HG GLN 592 -8.850 -8.548 7.811 427 HG3 GLN 592 2HG GLN 592 -8.924 -7.285 6.574 428 HE21 GLN 592 1HE2 GLN 592 -10.880 -6.239 6.167 429 HE22 GLN 592 2HE2 GLN 592 -12.195 -6.294 7.286 430 H HIS 593 HN HIS 593 -8.663 -12.081 4.603 431 HA HIS 593 HA HIS 593 -11.317 -12.936 3.681 432 HB2 HIS 593 3HB HIS 593 -8.613 -12.855 2.338 433 HB3 HIS 593 2HB HIS 593 -9.985 -13.729 1.646 434 HD1 HIS 593 1HD HIS 593 -10.040 -12.140 -0.402 435 HD2 HIS 593 2HD HIS 593 -10.709 -10.259 3.241 436 HE1 HIS 593 1HE HIS 593 -10.934 -9.860 -0.976 437 HE2 HIS 593 2HE HIS 593 -11.343 -8.709 1.250 438 H LEU 594 HN LEU 594 -10.161 -14.078 6.033 439 HA LEU 594 HA LEU 594 -9.993 -16.868 5.142 440 HB2 LEU 594 3HB LEU 594 -8.019 -15.348 6.768 441 HB3 LEU 594 2HB LEU 594 -8.365 -17.021 7.244 442 HG LEU 594 HG LEU 594 -7.768 -17.704 4.894 443 HD11 LEU 594 1HD1 LEU 594 -7.559 -14.834 4.628 444 HD12 LEU 594 2HD1 LEU 594 -7.582 -16.084 3.386 445 HD13 LEU 594 3HD1 LEU 594 -6.062 -15.642 4.163 446 HD21 LEU 594 3HD2 LEU 594 -5.514 -17.902 5.408 447 HD22 LEU 594 1HD2 LEU 594 -6.260 -17.697 6.992 448 HD23 LEU 594 2HD2 LEU 594 -5.455 -16.334 6.214 449 H SER 595 HN SER 595 -10.714 -18.410 6.678 450 HA SER 595 HA SER 595 -12.986 -17.747 8.097 451 HB2 SER 595 1HB SER 595 -11.087 -20.068 8.559 452 HB3 SER 595 2HB SER 595 -12.725 -19.953 9.226 453 HG SER 595 HG SER 595 -11.927 -20.656 6.719 454 H GLU 596 HN GLU 596 -13.467 -17.304 10.226 455 HA GLU 596 HA GLU 596 -11.180 -16.465 11.877 456 HB2 GLU 596 3HB GLU 596 -14.048 -15.507 11.817 457 HB3 GLU 596 2HB GLU 596 -12.878 -15.028 13.057 458 HG2 GLU 596 3HG GLU 596 -12.324 -14.610 10.136 459 HG3 GLU 596 2HG GLU 596 -13.262 -13.448 11.085 460 HE2 GLU 596 HE GLU 596 -9.599 -13.848 12.519 Start of MODEL 19 1 H1 GLY 540 HN GLY 540 -2.789 19.960 -9.753 2 HA2 GLY 540 2HA GLY 540 -2.723 18.635 -11.766 3 HA3 GLY 540 3HA GLY 540 -1.606 19.807 -12.447 4 HA PRO 541 HA PRO 541 0.705 16.097 -10.730 5 HB2 PRO 541 3HB PRO 541 1.870 15.346 -13.093 6 HB3 PRO 541 2HB PRO 541 0.292 14.766 -12.557 7 HG2 PRO 541 3HG PRO 541 0.957 16.998 -14.448 8 HG3 PRO 541 2HG PRO 541 -0.277 15.694 -14.612 9 HD2 PRO 541 3HD PRO 541 -0.910 18.224 -13.862 10 HD3 PRO 541 2HD PRO 541 -1.770 16.801 -13.250 11 H HIS 542 HN HIS 542 1.428 18.893 -12.647 12 HA HIS 542 HA HIS 542 4.190 18.845 -12.780 13 HB2 HIS 542 3HB HIS 542 2.426 21.254 -12.275 14 HB3 HIS 542 2HB HIS 542 4.084 21.301 -12.882 15 HD1 HIS 542 1HD HIS 542 1.294 22.203 -14.339 16 HD2 HIS 542 2HD HIS 542 3.714 18.937 -15.199 17 HE1 HIS 542 1HE HIS 542 0.795 21.608 -16.731 18 HE2 HIS 542 2HE HIS 542 2.274 19.612 -17.258 19 H MET 543 HN MET 543 2.118 19.431 -10.047 20 HA MET 543 HA MET 543 4.508 19.686 -8.353 21 HB2 MET 543 3HB MET 543 1.960 21.299 -8.236 22 HB3 MET 543 2HB MET 543 3.067 21.173 -6.861 23 HG2 MET 543 3HG MET 543 4.883 22.102 -8.253 24 HG3 MET 543 2HG MET 543 3.730 22.284 -9.578 25 HE1 MET 543 3HE MET 543 2.056 24.562 -9.744 26 HE2 MET 543 1HE MET 543 1.295 23.231 -8.872 27 HE3 MET 543 2HE MET 543 1.209 24.871 -8.227 28 H GLY 544 HN GLY 544 3.913 19.268 -5.979 29 HA2 GLY 544 2HA GLY 544 2.358 18.144 -4.472 30 HA3 GLY 544 3HA GLY 544 1.875 17.136 -5.830 31 H ASP 545 HN ASP 545 3.777 17.306 -3.093 32 HA ASP 545 HA ASP 545 5.955 15.653 -3.911 33 HB2 ASP 545 3HB ASP 545 5.752 17.259 -1.862 34 HB3 ASP 545 2HB ASP 545 5.023 15.858 -1.066 35 HD2 ASP 545 HD ASP 545 8.863 15.561 -2.051 36 H LEU 546 HN LEU 546 2.718 15.073 -2.832 37 HA LEU 546 HA LEU 546 2.870 12.519 -1.788 38 HB2 LEU 546 3HB LEU 546 0.859 14.213 -2.290 39 HB3 LEU 546 2HB LEU 546 0.632 13.091 -3.643 40 HG LEU 546 HG LEU 546 0.607 12.360 -0.715 41 HD11 LEU 546 1HD1 LEU 546 -1.353 13.663 -1.809 42 HD12 LEU 546 2HD1 LEU 546 -1.695 12.233 -0.835 43 HD13 LEU 546 3HD1 LEU 546 -1.704 12.122 -2.594 44 HD21 LEU 546 3HD2 LEU 546 0.373 10.720 -3.223 45 HD22 LEU 546 1HD2 LEU 546 -0.274 10.174 -1.677 46 HD23 LEU 546 2HD2 LEU 546 1.453 10.483 -1.848 47 H ALA 547 HN ALA 547 2.814 13.540 -5.164 48 HA ALA 547 HA ALA 547 2.595 10.945 -6.281 49 HB1 ALA 547 1HB ALA 547 3.460 13.605 -7.358 50 HB2 ALA 547 2HB ALA 547 3.578 12.142 -8.337 51 HB3 ALA 547 3HB ALA 547 2.010 12.670 -7.729 52 H LYS 548 HN LYS 548 5.268 12.821 -5.081 53 HA LYS 548 HA LYS 548 7.326 11.299 -6.351 54 HB2 LYS 548 3HB LYS 548 7.423 13.694 -5.346 55 HB3 LYS 548 2HB LYS 548 7.721 12.856 -3.815 56 HG2 LYS 548 3HG LYS 548 9.863 13.284 -4.546 57 HG3 LYS 548 2HG LYS 548 9.591 11.636 -5.136 58 HD2 LYS 548 3HD LYS 548 9.272 12.339 -7.348 59 HD3 LYS 548 2HD LYS 548 8.980 14.016 -6.859 60 HE2 LYS 548 3HE LYS 548 11.637 12.688 -6.362 61 HE3 LYS 548 2HE LYS 548 11.249 13.430 -7.922 62 HZ1 LYS 548 3HZ LYS 548 11.352 14.773 -5.280 63 HZ2 LYS 548 1HZ LYS 548 10.735 15.505 -6.675 64 HZ3 LYS 548 2HZ LYS 548 12.361 15.043 -6.610 65 H GLU 549 HN GLU 549 5.441 10.954 -3.466 66 HA GLU 549 HA GLU 549 7.180 9.207 -2.060 67 HB2 GLU 549 3HB GLU 549 4.439 10.204 -1.788 68 HB3 GLU 549 2HB GLU 549 4.644 8.543 -1.211 69 HG2 GLU 549 3HG GLU 549 6.149 10.989 -0.290 70 HG3 GLU 549 2HG GLU 549 4.963 10.044 0.623 71 HE2 GLU 549 HE GLU 549 8.653 8.970 0.870 72 H ARG 550 HN ARG 550 4.141 8.492 -3.791 73 HA ARG 550 HA ARG 550 4.279 5.739 -3.718 74 HB2 ARG 550 3HB ARG 550 2.433 7.326 -4.622 75 HB3 ARG 550 2HB ARG 550 3.279 7.155 -6.168 76 HG2 ARG 550 3HG ARG 550 3.079 4.595 -5.689 77 HG3 ARG 550 2HG ARG 550 1.778 5.111 -4.602 78 HD2 ARG 550 3HD ARG 550 0.469 4.985 -6.428 79 HD3 ARG 550 2HD ARG 550 1.201 6.542 -6.844 80 HE ARG 550 HE ARG 550 2.723 4.294 -7.775 81 HH11 ARG 550 1HH1 ARG 550 0.061 6.423 -8.478 82 HH12 ARG 550 2HH1 ARG 550 0.148 6.180 -10.192 83 HH21 ARG 550 1HH2 ARG 550 2.848 3.965 -10.029 84 HH22 ARG 550 2HH2 ARG 550 1.734 4.780 -11.072 85 H ALA 551 HN ALA 551 5.918 7.975 -5.869 86 HA ALA 551 HA ALA 551 6.781 6.281 -7.873 87 HB1 ALA 551 1HB ALA 551 7.108 8.757 -7.770 88 HB2 ALA 551 2HB ALA 551 8.451 8.475 -6.662 89 HB3 ALA 551 3HB ALA 551 8.522 7.852 -8.310 90 H GLY 552 HN GLY 552 8.634 7.137 -4.937 91 HA2 GLY 552 2HA GLY 552 10.538 5.034 -5.396 92 HA3 GLY 552 3HA GLY 552 10.460 6.084 -3.988 93 H VAL 553 HN VAL 553 7.907 5.554 -3.068 94 HA VAL 553 HA VAL 553 8.255 3.335 -1.466 95 HB VAL 553 HB VAL 553 5.633 4.536 -2.365 96 HG11 VAL 553 1HG1 VAL 553 5.497 3.466 0.252 97 HG12 VAL 553 2HG1 VAL 553 4.613 2.956 -1.188 98 HG13 VAL 553 3HG1 VAL 553 6.169 2.221 -0.801 99 HG21 VAL 553 3HG2 VAL 553 7.634 5.767 -0.978 100 HG22 VAL 553 1HG2 VAL 553 5.925 6.187 -0.875 101 HG23 VAL 553 2HG2 VAL 553 6.642 5.111 0.324 102 H TYR 554 HN TYR 554 6.146 3.539 -4.337 103 HA TYR 554 HA TYR 554 5.317 0.909 -4.430 104 HB2 TYR 554 3HB TYR 554 4.370 2.624 -5.872 105 HB3 TYR 554 2HB TYR 554 5.900 2.776 -6.738 106 HD1 TYR 554 1HD TYR 554 3.001 0.572 -6.175 107 HD2 TYR 554 2HD TYR 554 6.541 1.222 -8.442 108 HE1 TYR 554 1HE TYR 554 2.292 -1.163 -7.767 109 HE2 TYR 554 2HE TYR 554 5.842 -0.510 -10.043 110 HH TYR 554 HH TYR 554 2.698 -1.807 -10.090 111 H THR 555 HN THR 555 8.275 2.338 -5.733 112 HA THR 555 HA THR 555 9.253 0.165 -7.162 113 HB THR 555 HB THR 555 10.919 2.120 -5.566 114 HG1 THR 555 1HG THR 555 10.104 2.333 -8.285 115 HG21 THR 555 3HG2 THR 555 11.512 0.065 -7.608 116 HG22 THR 555 1HG2 THR 555 12.519 0.688 -6.303 117 HG23 THR 555 2HG2 THR 555 12.335 1.614 -7.793 118 H LYS 556 HN LYS 556 9.649 0.952 -3.726 119 HA LYS 556 HA LYS 556 11.240 -1.379 -3.192 120 HB2 LYS 556 3HB LYS 556 10.156 0.903 -1.648 121 HB3 LYS 556 2HB LYS 556 10.409 -0.595 -0.739 122 HG2 LYS 556 3HG LYS 556 12.425 0.469 -0.441 123 HG3 LYS 556 2HG LYS 556 12.761 -0.560 -1.844 124 HD2 LYS 556 3HD LYS 556 12.364 1.316 -3.354 125 HD3 LYS 556 2HD LYS 556 11.964 2.350 -1.972 126 HE2 LYS 556 3HE LYS 556 14.608 0.943 -2.022 127 HE3 LYS 556 2HE LYS 556 14.369 2.385 -3.019 128 HZ1 LYS 556 3HZ LYS 556 13.368 3.122 -0.608 129 HZ2 LYS 556 1HZ LYS 556 14.909 3.508 -1.192 130 HZ3 LYS 556 2HZ LYS 556 14.698 2.170 -0.179 131 H LEU 557 HN LEU 557 7.851 -0.499 -2.918 132 HA LEU 557 HA LEU 557 6.929 -2.577 -1.318 133 HB2 LEU 557 3HB LEU 557 5.735 -0.844 -3.425 134 HB3 LEU 557 2HB LEU 557 4.825 -2.276 -2.910 135 HG LEU 557 HG LEU 557 5.784 -0.144 -1.007 136 HD11 LEU 557 1HD1 LEU 557 2.925 -0.326 -1.670 137 HD12 LEU 557 2HD1 LEU 557 3.960 0.331 -2.937 138 HD13 LEU 557 3HD1 LEU 557 3.931 1.085 -1.344 139 HD21 LEU 557 3HD2 LEU 557 5.330 -1.912 0.351 140 HD22 LEU 557 1HD2 LEU 557 4.196 -2.640 -0.788 141 HD23 LEU 557 2HD2 LEU 557 3.697 -1.263 0.195 142 H CYS 558 HN CYS 558 7.951 -2.587 -4.635 143 HA CYS 558 HA CYS 558 6.696 -5.000 -5.431 144 HB2 CYS 558 3HB CYS 558 9.136 -3.550 -6.461 145 HB3 CYS 558 2HB CYS 558 8.454 -4.985 -7.246 146 HG CYS 558 HG CYS 558 7.479 -1.824 -7.468 147 H GLY 559 HN GLY 559 9.466 -4.306 -3.509 148 HA2 GLY 559 2HA GLY 559 10.465 -7.056 -3.787 149 HA3 GLY 559 3HA GLY 559 11.334 -5.718 -3.049 150 H VAL 560 HN VAL 560 8.360 -5.358 -1.854 151 HA VAL 560 HA VAL 560 8.950 -7.040 0.493 152 HB VAL 560 HB VAL 560 7.252 -4.544 0.447 153 HG11 VAL 560 1HG1 VAL 560 8.499 -6.021 2.761 154 HG12 VAL 560 2HG1 VAL 560 7.409 -4.635 2.846 155 HG13 VAL 560 3HG1 VAL 560 6.819 -6.189 2.255 156 HG21 VAL 560 3HG2 VAL 560 9.129 -3.355 0.344 157 HG22 VAL 560 1HG2 VAL 560 9.608 -4.067 1.885 158 HG23 VAL 560 2HG2 VAL 560 10.114 -4.818 0.372 159 H PHE 561 HN PHE 561 6.580 -6.200 -1.899 160 HA PHE 561 HA PHE 561 4.973 -8.477 -1.163 161 HB2 PHE 561 3HB PHE 561 4.012 -5.655 -0.768 162 HB3 PHE 561 2HB PHE 561 2.868 -6.932 -1.188 163 HD1 PHE 561 2HD PHE 561 2.688 -8.956 0.308 164 HD2 PHE 561 1HD PHE 561 4.760 -5.416 1.446 165 HE1 PHE 561 2HE PHE 561 2.543 -9.634 2.668 166 HE2 PHE 561 1HE PHE 561 4.619 -6.089 3.809 167 HZ PHE 561 HZ PHE 561 3.508 -8.200 4.423 168 HA PRO 562 HA PRO 562 4.102 -8.577 -5.461 169 HB2 PRO 562 3HB PRO 562 1.564 -9.606 -5.522 170 HB3 PRO 562 2HB PRO 562 2.988 -10.552 -5.091 171 HG2 PRO 562 3HG PRO 562 0.993 -9.198 -3.307 172 HG3 PRO 562 2HG PRO 562 1.688 -10.858 -3.186 173 HD2 PRO 562 3HD PRO 562 2.552 -8.791 -1.654 174 HD3 PRO 562 2HD PRO 562 3.631 -10.077 -2.221 175 HA PRO 563 HA PRO 563 1.861 -5.073 -6.885 176 HB2 PRO 563 3HB PRO 563 0.791 -5.945 -9.250 177 HB3 PRO 563 2HB PRO 563 2.509 -5.628 -9.019 178 HG2 PRO 563 3HG PRO 563 1.024 -8.230 -8.892 179 HG3 PRO 563 2HG PRO 563 2.584 -7.846 -9.711 180 HD2 PRO 563 3HD PRO 563 2.460 -9.121 -7.317 181 HD3 PRO 563 2HD PRO 563 3.769 -8.005 -7.740 182 H HIS 564 HN HIS 564 -0.057 -8.055 -7.257 183 HA HIS 564 HA HIS 564 -2.581 -6.910 -7.371 184 HB2 HIS 564 3HB HIS 564 -3.433 -9.031 -7.087 185 HB3 HIS 564 2HB HIS 564 -1.783 -9.404 -7.596 186 HD1 HIS 564 1HD HIS 564 -0.160 -10.367 -5.820 187 HD2 HIS 564 2HD HIS 564 -4.023 -9.719 -4.432 188 HE1 HIS 564 1HE HIS 564 -0.298 -11.582 -3.622 189 HE2 HIS 564 2HE HIS 564 -2.656 -11.185 -2.771 190 H LEU 565 HN LEU 565 -0.448 -7.303 -4.675 191 HA LEU 565 HA LEU 565 -2.503 -6.878 -2.687 192 HB2 LEU 565 3HB LEU 565 0.398 -7.459 -2.708 193 HB3 LEU 565 2HB LEU 565 -0.196 -6.501 -1.341 194 HG LEU 565 HG LEU 565 -1.163 -9.249 -2.128 195 HD11 LEU 565 1HD1 LEU 565 0.738 -9.833 -1.084 196 HD12 LEU 565 2HD1 LEU 565 -0.175 -9.462 0.378 197 HD13 LEU 565 3HD1 LEU 565 0.919 -8.260 -0.305 198 HD21 LEU 565 3HD2 LEU 565 -2.007 -7.337 0.030 199 HD22 LEU 565 1HD2 LEU 565 -2.284 -9.075 0.148 200 HD23 LEU 565 2HD2 LEU 565 -3.009 -8.154 -1.171 201 H VAL 566 HN VAL 566 0.456 -5.089 -3.579 202 HA VAL 566 HA VAL 566 -0.099 -2.757 -2.179 203 HB VAL 566 HB VAL 566 1.397 -3.004 -4.792 204 HG11 VAL 566 1HG1 VAL 566 1.299 -0.820 -2.723 205 HG12 VAL 566 2HG1 VAL 566 2.577 -0.952 -3.932 206 HG13 VAL 566 3HG1 VAL 566 0.904 -0.709 -4.437 207 HG21 VAL 566 3HG2 VAL 566 1.990 -4.180 -2.369 208 HG22 VAL 566 1HG2 VAL 566 3.131 -3.858 -3.675 209 HG23 VAL 566 2HG2 VAL 566 2.955 -2.704 -2.354 210 H GLU 567 HN GLU 567 -0.767 -3.465 -5.608 211 HA GLU 567 HA GLU 567 -1.965 -1.084 -6.321 212 HB2 GLU 567 3HB GLU 567 -2.488 -3.914 -7.228 213 HB3 GLU 567 2HB GLU 567 -3.296 -2.521 -7.962 214 HG2 GLU 567 3HG GLU 567 -1.110 -1.572 -8.565 215 HG3 GLU 567 2HG GLU 567 -0.326 -3.002 -7.877 216 HE2 GLU 567 HE GLU 567 -2.352 -4.591 -10.684 217 H ALA 568 HN ALA 568 -3.244 -3.706 -4.417 218 HA ALA 568 HA ALA 568 -5.965 -2.730 -4.518 219 HB1 ALA 568 1HB ALA 568 -6.232 -4.519 -2.672 220 HB2 ALA 568 2HB ALA 568 -5.893 -5.040 -4.323 221 HB3 ALA 568 3HB ALA 568 -4.598 -5.001 -3.126 222 H VAL 569 HN VAL 569 -3.590 -3.192 -1.890 223 HA VAL 569 HA VAL 569 -4.946 -1.869 0.118 224 HB VAL 569 HB VAL 569 -1.951 -1.802 -0.270 225 HG11 VAL 569 1HG1 VAL 569 -1.808 -1.518 2.090 226 HG12 VAL 569 2HG1 VAL 569 -2.953 -0.318 1.488 227 HG13 VAL 569 3HG1 VAL 569 -3.540 -1.776 2.288 228 HG21 VAL 569 3HG2 VAL 569 -2.062 -4.032 -0.181 229 HG22 VAL 569 1HG2 VAL 569 -2.519 -3.826 1.511 230 HG23 VAL 569 2HG2 VAL 569 -3.766 -4.013 0.277 231 H MET 570 HN MET 570 -2.729 -0.519 -2.301 232 HA MET 570 HA MET 570 -2.613 2.097 -1.368 233 HB2 MET 570 3HB MET 570 -2.430 0.915 -4.133 234 HB3 MET 570 2HB MET 570 -2.268 2.657 -3.858 235 HG2 MET 570 3HG MET 570 -0.474 1.917 -2.094 236 HG3 MET 570 2HG MET 570 -0.448 0.440 -3.062 237 HE1 MET 570 3HE MET 570 2.630 1.816 -3.540 238 HE2 MET 570 1HE MET 570 2.276 3.543 -3.471 239 HE3 MET 570 2HE MET 570 1.631 2.461 -2.237 240 H ARG 571 HN ARG 571 -5.169 0.415 -3.001 241 HA ARG 571 HA ARG 571 -6.603 2.653 -3.963 242 HB2 ARG 571 3HB ARG 571 -6.925 0.249 -4.653 243 HB3 ARG 571 2HB ARG 571 -7.773 0.001 -3.120 244 HG2 ARG 571 3HG ARG 571 -9.030 2.220 -4.178 245 HG3 ARG 571 2HG ARG 571 -8.716 1.196 -5.589 246 HD2 ARG 571 3HD ARG 571 -9.689 -0.730 -4.216 247 HD3 ARG 571 2HD ARG 571 -10.270 0.521 -3.109 248 HE ARG 571 HE ARG 571 -11.935 0.978 -4.594 249 HH11 ARG 571 1HH1 ARG 571 -9.350 -0.622 -6.289 250 HH12 ARG 571 2HH1 ARG 571 -10.217 -0.720 -7.787 251 HH21 ARG 571 1HH2 ARG 571 -13.088 0.855 -6.559 252 HH22 ARG 571 2HH2 ARG 571 -12.343 0.122 -7.938 253 H ARG 572 HN ARG 572 -6.159 1.376 -0.821 254 HA ARG 572 HA ARG 572 -8.567 2.615 0.248 255 HB2 ARG 572 3HB ARG 572 -7.713 0.365 1.022 256 HB3 ARG 572 2HB ARG 572 -6.366 1.229 1.778 257 HG2 ARG 572 3HG ARG 572 -7.936 2.487 3.174 258 HG3 ARG 572 2HG ARG 572 -9.283 1.616 2.422 259 HD2 ARG 572 3HD ARG 572 -8.783 -0.375 3.479 260 HD3 ARG 572 2HD ARG 572 -7.076 0.047 3.666 261 HE ARG 572 HE ARG 572 -8.280 1.836 5.270 262 HH11 ARG 572 1HH1 ARG 572 -8.585 -1.617 4.960 263 HH12 ARG 572 2HH1 ARG 572 -8.987 -1.863 6.626 264 HH21 ARG 572 1HH2 ARG 572 -8.810 1.526 7.467 265 HH22 ARG 572 2HH2 ARG 572 -9.116 -0.074 8.052 266 H PHE 573 HN PHE 573 -5.107 3.117 0.133 267 HA PHE 573 HA PHE 573 -5.446 5.594 1.689 268 HB2 PHE 573 3HB PHE 573 -2.963 3.910 1.271 269 HB3 PHE 573 2HB PHE 573 -3.007 5.441 2.147 270 HD1 PHE 573 1HD PHE 573 -4.377 1.998 2.182 271 HD2 PHE 573 2HD PHE 573 -3.563 5.532 4.410 272 HE1 PHE 573 1HE PHE 573 -4.954 0.815 4.261 273 HE2 PHE 573 2HE PHE 573 -4.137 4.354 6.493 274 HZ PHE 573 HZ PHE 573 -4.833 1.993 6.420 275 HA PRO 574 HA PRO 574 -4.559 6.832 -2.695 276 HB2 PRO 574 3HB PRO 574 -6.440 8.821 -2.766 277 HB3 PRO 574 2HB PRO 574 -6.795 7.134 -3.135 278 HG2 PRO 574 3HG PRO 574 -7.188 8.646 -0.573 279 HG3 PRO 574 2HG PRO 574 -8.314 7.516 -1.415 280 HD2 PRO 574 3HD PRO 574 -6.831 6.776 0.736 281 HD3 PRO 574 2HD PRO 574 -7.229 5.661 -0.582 282 H GLN 575 HN GLN 575 -4.523 8.305 0.395 283 HA GLN 575 HA GLN 575 -3.003 10.596 -0.660 284 HB2 GLN 575 3HB GLN 575 -3.664 11.879 1.220 285 HB3 GLN 575 2HB GLN 575 -5.126 11.074 0.630 286 HG2 GLN 575 3HG GLN 575 -4.931 9.385 2.380 287 HG3 GLN 575 2HG GLN 575 -3.457 10.169 2.965 288 HE21 GLN 575 1HE2 GLN 575 -3.796 12.613 3.362 289 HE22 GLN 575 2HE2 GLN 575 -5.209 13.020 4.269 290 H LEU 576 HN LEU 576 -2.794 7.716 1.101 291 HA LEU 576 HA LEU 576 -0.152 8.502 2.139 292 HB2 LEU 576 3HB LEU 576 -2.417 7.438 3.527 293 HB3 LEU 576 2HB LEU 576 -1.100 6.253 3.565 294 HG LEU 576 HG LEU 576 -1.023 9.083 4.601 295 HD11 LEU 576 1HD1 LEU 576 -2.135 7.734 6.164 296 HD12 LEU 576 2HD1 LEU 576 -0.467 7.808 6.731 297 HD13 LEU 576 3HD1 LEU 576 -1.051 6.372 5.890 298 HD21 LEU 576 3HD2 LEU 576 1.160 9.005 4.129 299 HD22 LEU 576 1HD2 LEU 576 1.117 7.275 3.786 300 HD23 LEU 576 2HD2 LEU 576 1.267 7.839 5.451 301 H LEU 577 HN LEU 577 1.472 7.445 1.227 302 HA LEU 577 HA LEU 577 1.030 4.696 0.286 303 HB2 LEU 577 3HB LEU 577 2.373 6.960 -1.191 304 HB3 LEU 577 2HB LEU 577 2.576 5.254 -1.630 305 HG LEU 577 HG LEU 577 0.965 6.164 -3.109 306 HD11 LEU 577 1HD1 LEU 577 -0.577 4.532 -2.929 307 HD12 LEU 577 2HD1 LEU 577 -0.963 4.930 -1.255 308 HD13 LEU 577 3HD1 LEU 577 0.472 3.974 -1.625 309 HD21 LEU 577 3HD2 LEU 577 -1.078 6.943 -1.197 310 HD22 LEU 577 1HD2 LEU 577 -0.457 7.805 -2.606 311 HD23 LEU 577 2HD2 LEU 577 0.386 7.919 -1.061 312 H ASP 578 HN ASP 578 2.146 3.709 1.910 313 HA ASP 578 HA ASP 578 5.024 4.315 2.051 314 HB2 ASP 578 3HB ASP 578 3.023 4.135 4.231 315 HB3 ASP 578 2HB ASP 578 4.559 3.311 4.525 316 HD2 ASP 578 HD ASP 578 5.897 6.313 5.446 317 HA PRO 579 HA PRO 579 5.686 0.053 1.225 318 HB2 PRO 579 3HB PRO 579 8.099 -0.325 2.462 319 HB3 PRO 579 2HB PRO 579 7.906 0.586 0.964 320 HG2 PRO 579 3HG PRO 579 8.092 1.588 3.787 321 HG3 PRO 579 2HG PRO 579 8.918 2.195 2.303 322 HD2 PRO 579 3HD PRO 579 6.734 3.409 3.365 323 HD3 PRO 579 2HD PRO 579 7.051 3.362 1.624 324 H GLN 580 HN GLN 580 6.490 0.940 4.588 325 HA GLN 580 HA GLN 580 5.847 -1.701 5.546 326 HB2 GLN 580 3HB GLN 580 6.667 0.870 6.893 327 HB3 GLN 580 2HB GLN 580 6.209 -0.571 7.814 328 HG2 GLN 580 3HG GLN 580 8.162 -1.587 7.448 329 HG3 GLN 580 2HG GLN 580 8.184 -1.114 5.743 330 HE21 GLN 580 1HE2 GLN 580 8.259 1.536 5.744 331 HE22 GLN 580 2HE2 GLN 580 9.661 2.131 6.559 332 H GLN 581 HN GLN 581 4.479 1.555 6.005 333 HA GLN 581 HA GLN 581 2.354 0.986 7.629 334 HB2 GLN 581 3HB GLN 581 3.179 3.165 6.157 335 HB3 GLN 581 2HB GLN 581 1.607 2.777 5.438 336 HG2 GLN 581 3HG GLN 581 0.492 3.004 7.534 337 HG3 GLN 581 2HG GLN 581 2.034 3.145 8.389 338 HE21 GLN 581 1HE2 GLN 581 3.428 4.916 6.936 339 HE22 GLN 581 2HE2 GLN 581 2.630 6.449 6.903 340 H LEU 582 HN LEU 582 2.340 0.849 4.069 341 HA LEU 582 HA LEU 582 -0.279 -0.034 3.737 342 HB2 LEU 582 3HB LEU 582 2.224 -0.370 2.108 343 HB3 LEU 582 2HB LEU 582 0.694 -1.107 1.601 344 HG LEU 582 HG LEU 582 1.061 1.849 2.070 345 HD11 LEU 582 1HD1 LEU 582 0.890 0.523 -0.613 346 HD12 LEU 582 2HD1 LEU 582 2.438 0.793 0.186 347 HD13 LEU 582 3HD1 LEU 582 1.403 2.163 -0.214 348 HD21 LEU 582 3HD2 LEU 582 -1.109 0.340 0.621 349 HD22 LEU 582 1HD2 LEU 582 -1.046 2.073 0.941 350 HD23 LEU 582 2HD2 LEU 582 -1.240 0.937 2.276 351 H ALA 583 HN ALA 583 2.684 -1.869 4.310 352 HA ALA 583 HA ALA 583 1.720 -4.445 3.903 353 HB1 ALA 583 1HB ALA 583 3.559 -5.212 5.249 354 HB2 ALA 583 2HB ALA 583 4.097 -3.845 4.272 355 HB3 ALA 583 3HB ALA 583 3.738 -3.619 5.984 356 H ALA 584 HN ALA 584 1.588 -2.416 6.801 357 HA ALA 584 HA ALA 584 0.630 -4.227 8.647 358 HB1 ALA 584 1HB ALA 584 1.174 -1.626 8.761 359 HB2 ALA 584 2HB ALA 584 -0.586 -1.525 8.677 360 HB3 ALA 584 3HB ALA 584 0.184 -2.438 9.974 361 H GLU 585 HN GLU 585 -1.116 -2.534 6.103 362 HA GLU 585 HA GLU 585 -3.700 -3.431 6.984 363 HB2 GLU 585 3HB GLU 585 -2.843 -2.241 4.334 364 HB3 GLU 585 2HB GLU 585 -4.513 -2.459 4.879 365 HG2 GLU 585 3HG GLU 585 -2.718 -0.901 6.651 366 HG3 GLU 585 2HG GLU 585 -3.201 -0.157 5.120 367 HE2 GLU 585 HE GLU 585 -6.651 -0.451 6.246 368 H ILE 586 HN ILE 586 -1.235 -4.567 4.800 369 HA ILE 586 HA ILE 586 -2.815 -6.391 3.324 370 HB ILE 586 HB ILE 586 0.144 -6.497 3.921 371 HG12 ILE 586 1HG1 ILE 586 -1.276 -5.481 1.451 372 HG13 ILE 586 2HG1 ILE 586 -0.715 -4.429 2.761 373 HG21 ILE 586 1HG2 ILE 586 -1.587 -8.017 1.996 374 HG22 ILE 586 2HG2 ILE 586 0.151 -7.835 1.756 375 HG23 ILE 586 3HG2 ILE 586 -0.460 -8.648 3.197 376 HD11 ILE 586 3HD1 ILE 586 1.320 -4.359 1.908 377 HD12 ILE 586 1HD1 ILE 586 1.430 -6.119 1.914 378 HD13 ILE 586 2HD1 ILE 586 0.733 -5.283 0.526 379 H LEU 587 HN LEU 587 -0.693 -6.851 6.147 380 HA LEU 587 HA LEU 587 -0.999 -9.570 6.503 381 HB2 LEU 587 3HB LEU 587 -0.571 -7.301 8.421 382 HB3 LEU 587 2HB LEU 587 -0.753 -8.962 9.010 383 HG LEU 587 HG LEU 587 1.292 -8.406 6.913 384 HD11 LEU 587 1HD1 LEU 587 2.596 -8.220 9.382 385 HD12 LEU 587 2HD1 LEU 587 1.232 -7.105 9.471 386 HD13 LEU 587 3HD1 LEU 587 2.408 -6.957 8.165 387 HD21 LEU 587 3HD2 LEU 587 2.243 -10.350 7.640 388 HD22 LEU 587 1HD2 LEU 587 0.558 -10.676 8.047 389 HD23 LEU 587 2HD2 LEU 587 1.678 -10.137 9.298 390 H SER 588 HN SER 588 -3.145 -6.955 7.490 391 HA SER 588 HA SER 588 -4.943 -8.712 8.896 392 HB2 SER 588 1HB SER 588 -4.661 -6.366 9.595 393 HB3 SER 588 2HB SER 588 -5.306 -5.830 8.034 394 HG SER 588 HG SER 588 -6.824 -7.594 9.601 395 H TYR 589 HN TYR 589 -4.886 -7.054 5.773 396 HA TYR 589 HA TYR 589 -7.471 -7.684 4.922 397 HB2 TYR 589 3HB TYR 589 -6.151 -6.053 3.736 398 HB3 TYR 589 2HB TYR 589 -4.932 -7.264 3.336 399 HD1 TYR 589 2HD TYR 589 -8.660 -7.252 3.037 400 HD2 TYR 589 1HD TYR 589 -4.913 -7.656 1.063 401 HE1 TYR 589 2HE TYR 589 -9.829 -7.767 0.936 402 HE2 TYR 589 1HE TYR 589 -6.072 -8.170 -1.044 403 HH TYR 589 HH TYR 589 -8.217 -9.001 -1.810 404 H LYS 590 HN LYS 590 -4.432 -9.470 4.537 405 HA LYS 590 HA LYS 590 -5.584 -11.604 3.046 406 HB2 LYS 590 3HB LYS 590 -3.078 -10.829 3.338 407 HB3 LYS 590 2HB LYS 590 -3.111 -11.981 4.684 408 HG2 LYS 590 3HG LYS 590 -2.314 -13.259 2.925 409 HG3 LYS 590 2HG LYS 590 -4.043 -13.647 2.957 410 HD2 LYS 590 3HD LYS 590 -3.798 -13.252 0.718 411 HD3 LYS 590 2HD LYS 590 -4.171 -11.610 1.272 412 HE2 LYS 590 3HE LYS 590 -2.291 -11.450 -0.196 413 HE3 LYS 590 2HE LYS 590 -1.711 -11.194 1.454 414 HZ1 LYS 590 3HZ LYS 590 -0.740 -13.297 1.522 415 HZ2 LYS 590 1HZ LYS 590 -0.374 -12.739 -0.033 416 HZ3 LYS 590 2HZ LYS 590 -1.617 -13.864 0.192 417 H SER 591 HN SER 591 -4.458 -11.401 6.424 418 HA SER 591 HA SER 591 -5.235 -13.911 7.274 419 HB2 SER 591 1HB SER 591 -3.890 -12.390 8.653 420 HB3 SER 591 2HB SER 591 -5.294 -11.328 8.857 421 HG SER 591 HG SER 591 -4.751 -13.041 10.539 422 H GLN 592 HN GLN 592 -7.161 -10.958 7.045 423 HA GLN 592 HA GLN 592 -9.493 -12.060 8.244 424 HB2 GLN 592 3HB GLN 592 -8.918 -9.609 6.604 425 HB3 GLN 592 2HB GLN 592 -10.585 -10.054 7.005 426 HG2 GLN 592 3HG GLN 592 -9.302 -10.227 9.437 427 HG3 GLN 592 2HG GLN 592 -8.531 -8.837 8.660 428 HE21 GLN 592 1HE2 GLN 592 -10.511 -7.699 7.248 429 HE22 GLN 592 2HE2 GLN 592 -11.777 -7.161 8.292 430 H HIS 593 HN HIS 593 -8.212 -11.992 5.004 431 HA HIS 593 HA HIS 593 -10.664 -13.274 4.003 432 HB2 HIS 593 3HB HIS 593 -8.476 -11.724 2.617 433 HB3 HIS 593 2HB HIS 593 -9.614 -12.735 1.723 434 HD1 HIS 593 1HD HIS 593 -10.798 -10.831 0.523 435 HD2 HIS 593 2HD HIS 593 -10.849 -10.449 4.660 436 HE1 HIS 593 1HE HIS 593 -12.419 -8.969 1.007 437 HE2 HIS 593 2HE HIS 593 -12.450 -8.736 3.535 438 H LEU 594 HN LEU 594 -8.753 -14.712 5.555 439 HA LEU 594 HA LEU 594 -7.285 -16.343 3.632 440 HB2 LEU 594 3HB LEU 594 -6.276 -15.549 5.800 441 HB3 LEU 594 2HB LEU 594 -7.396 -16.648 6.626 442 HG LEU 594 HG LEU 594 -6.339 -18.542 5.379 443 HD11 LEU 594 1HD1 LEU 594 -5.117 -16.415 3.966 444 HD12 LEU 594 2HD1 LEU 594 -4.936 -18.150 3.712 445 HD13 LEU 594 3HD1 LEU 594 -3.848 -17.302 4.811 446 HD21 LEU 594 3HD2 LEU 594 -4.753 -16.833 7.271 447 HD22 LEU 594 1HD2 LEU 594 -4.165 -18.398 6.707 448 HD23 LEU 594 2HD2 LEU 594 -5.674 -18.298 7.613 449 H SER 595 HN SER 595 -8.074 -18.170 2.835 450 HA SER 595 HA SER 595 -10.635 -19.139 3.451 451 HB2 SER 595 1HB SER 595 -9.891 -19.687 1.305 452 HB3 SER 595 2HB SER 595 -8.312 -20.239 1.894 453 HG SER 595 HG SER 595 -10.581 -21.656 1.538 454 H GLU 596 HN GLU 596 -11.025 -19.740 5.517 455 HA GLU 596 HA GLU 596 -9.155 -21.433 6.948 456 HB2 GLU 596 3HB GLU 596 -10.660 -19.491 7.877 457 HB3 GLU 596 2HB GLU 596 -11.885 -20.766 7.974 458 HG2 GLU 596 3HG GLU 596 -10.341 -22.112 9.358 459 HG3 GLU 596 2HG GLU 596 -9.196 -20.763 9.323 460 HE2 GLU 596 HE GLU 596 -10.833 -19.166 11.869 Start of MODEL 20 1 H1 GLY 540 HN GLY 540 -7.551 14.903 -15.510 2 HA2 GLY 540 2HA GLY 540 -5.553 15.491 -17.213 3 HA3 GLY 540 3HA GLY 540 -6.450 16.750 -16.376 4 HA PRO 541 HA PRO 541 -1.939 17.145 -15.311 5 HB2 PRO 541 3HB PRO 541 -1.780 19.823 -15.866 6 HB3 PRO 541 2HB PRO 541 -1.545 18.562 -17.075 7 HG2 PRO 541 3HG PRO 541 -4.001 20.168 -16.455 8 HG3 PRO 541 2HG PRO 541 -3.274 19.768 -18.056 9 HD2 PRO 541 3HD PRO 541 -5.429 18.454 -17.055 10 HD3 PRO 541 2HD PRO 541 -4.207 17.659 -18.061 11 H HIS 542 HN HIS 542 -1.665 17.223 -13.177 12 HA HIS 542 HA HIS 542 -2.595 19.530 -11.682 13 HB2 HIS 542 3HB HIS 542 -3.618 18.121 -9.903 14 HB3 HIS 542 2HB HIS 542 -4.502 18.072 -11.432 15 HD1 HIS 542 1HD HIS 542 -5.101 15.815 -12.242 16 HD2 HIS 542 2HD HIS 542 -1.838 15.718 -9.672 17 HE1 HIS 542 1HE HIS 542 -4.555 13.379 -11.942 18 HE2 HIS 542 2HE HIS 542 -2.560 13.319 -10.370 19 H MET 543 HN MET 543 -1.424 19.917 -9.801 20 HA MET 543 HA MET 543 1.188 18.742 -9.736 21 HB2 MET 543 3HB MET 543 -0.199 20.790 -8.000 22 HB3 MET 543 2HB MET 543 1.461 20.250 -7.710 23 HG2 MET 543 3HG MET 543 0.738 21.250 -10.426 24 HG3 MET 543 2HG MET 543 0.954 22.408 -9.111 25 HE1 MET 543 3HE MET 543 3.628 21.646 -11.958 26 HE2 MET 543 1HE MET 543 2.241 22.645 -11.521 27 HE3 MET 543 2HE MET 543 3.862 23.118 -11.013 28 H GLY 544 HN GLY 544 1.995 18.401 -7.256 29 HA2 GLY 544 2HA GLY 544 0.687 17.344 -5.211 30 HA3 GLY 544 3HA GLY 544 0.487 16.056 -6.391 31 H ASP 545 HN ASP 545 2.553 17.483 -4.085 32 HA ASP 545 HA ASP 545 5.057 16.538 -4.925 33 HB2 ASP 545 3HB ASP 545 4.220 16.739 -2.031 34 HB3 ASP 545 2HB ASP 545 5.823 17.000 -2.732 35 HD2 ASP 545 HD ASP 545 4.329 20.078 -4.151 36 H LEU 546 HN LEU 546 2.358 14.921 -3.480 37 HA LEU 546 HA LEU 546 3.602 12.706 -2.333 38 HB2 LEU 546 3HB LEU 546 0.905 13.204 -3.530 39 HB3 LEU 546 2HB LEU 546 1.368 11.557 -3.068 40 HG LEU 546 HG LEU 546 0.041 12.656 -1.331 41 HD11 LEU 546 1HD1 LEU 546 2.105 11.069 -0.935 42 HD12 LEU 546 2HD1 LEU 546 1.250 11.816 0.413 43 HD13 LEU 546 3HD1 LEU 546 2.768 12.506 -0.157 44 HD21 LEU 546 3HD2 LEU 546 0.742 14.965 -1.795 45 HD22 LEU 546 1HD2 LEU 546 2.338 14.601 -1.139 46 HD23 LEU 546 2HD2 LEU 546 0.921 14.546 -0.091 47 H ALA 547 HN ALA 547 3.139 13.548 -5.646 48 HA ALA 547 HA ALA 547 3.184 11.085 -6.915 49 HB1 ALA 547 1HB ALA 547 3.511 12.242 -8.833 50 HB2 ALA 547 2HB ALA 547 3.109 13.608 -7.792 51 HB3 ALA 547 3HB ALA 547 4.796 13.236 -8.146 52 H LYS 548 HN LYS 548 5.743 12.803 -5.303 53 HA LYS 548 HA LYS 548 7.860 11.202 -6.425 54 HB2 LYS 548 3HB LYS 548 8.418 13.444 -5.818 55 HB3 LYS 548 2HB LYS 548 7.775 13.220 -4.183 56 HG2 LYS 548 3HG LYS 548 9.969 11.408 -5.014 57 HG3 LYS 548 2HG LYS 548 10.377 13.112 -4.744 58 HD2 LYS 548 3HD LYS 548 9.937 13.021 -2.503 59 HD3 LYS 548 2HD LYS 548 8.699 11.767 -2.696 60 HE2 LYS 548 3HE LYS 548 10.665 10.218 -3.351 61 HE3 LYS 548 2HE LYS 548 11.683 11.468 -2.621 62 HZ1 LYS 548 3HZ LYS 548 10.588 11.184 -0.538 63 HZ2 LYS 548 1HZ LYS 548 11.046 9.650 -1.085 64 HZ3 LYS 548 2HZ LYS 548 9.434 10.145 -1.208 65 H GLU 549 HN GLU 549 5.788 11.105 -3.636 66 HA GLU 549 HA GLU 549 7.365 9.280 -2.112 67 HB2 GLU 549 3HB GLU 549 4.693 10.516 -1.920 68 HB3 GLU 549 2HB GLU 549 4.831 8.915 -1.178 69 HG2 GLU 549 3HG GLU 549 5.493 10.063 0.628 70 HG3 GLU 549 2HG GLU 549 7.053 10.089 -0.204 71 HE2 GLU 549 HE GLU 549 5.082 13.465 0.231 72 H ARG 550 HN ARG 550 4.265 8.819 -3.822 73 HA ARG 550 HA ARG 550 4.145 6.058 -3.621 74 HB2 ARG 550 3HB ARG 550 2.410 7.766 -4.514 75 HB3 ARG 550 2HB ARG 550 3.185 7.490 -6.081 76 HG2 ARG 550 3HG ARG 550 2.732 5.053 -5.824 77 HG3 ARG 550 2HG ARG 550 1.818 5.439 -4.356 78 HD2 ARG 550 3HD ARG 550 0.037 5.623 -5.708 79 HD3 ARG 550 2HD ARG 550 0.744 7.175 -6.181 80 HE ARG 550 HE ARG 550 1.729 4.941 -7.703 81 HH11 ARG 550 1HH1 ARG 550 -0.762 7.358 -7.432 82 HH12 ARG 550 2HH1 ARG 550 -1.166 7.316 -9.117 83 HH21 ARG 550 1HH2 ARG 550 1.205 4.878 -9.922 84 HH22 ARG 550 2HH2 ARG 550 -0.047 5.906 -10.532 85 H ALA 551 HN ALA 551 6.034 8.054 -5.753 86 HA ALA 551 HA ALA 551 6.643 6.143 -7.732 87 HB1 ALA 551 1HB ALA 551 8.257 8.511 -6.791 88 HB2 ALA 551 2HB ALA 551 8.549 7.600 -8.273 89 HB3 ALA 551 3HB ALA 551 7.050 8.508 -8.078 90 H GLY 552 HN GLY 552 8.571 7.196 -4.914 91 HA2 GLY 552 2HA GLY 552 10.489 5.094 -5.265 92 HA3 GLY 552 3HA GLY 552 10.387 6.194 -3.899 93 H VAL 553 HN VAL 553 7.867 5.677 -2.935 94 HA VAL 553 HA VAL 553 8.236 3.506 -1.275 95 HB VAL 553 HB VAL 553 5.603 4.681 -2.179 96 HG11 VAL 553 1HG1 VAL 553 4.853 2.800 -1.149 97 HG12 VAL 553 2HG1 VAL 553 6.309 2.621 -0.168 98 HG13 VAL 553 3HG1 VAL 553 5.082 3.806 0.281 99 HG21 VAL 553 3HG2 VAL 553 5.957 6.398 -0.794 100 HG22 VAL 553 1HG2 VAL 553 6.566 5.347 0.484 101 HG23 VAL 553 2HG2 VAL 553 7.649 5.902 -0.792 102 H TYR 554 HN TYR 554 6.087 3.623 -4.121 103 HA TYR 554 HA TYR 554 5.257 0.995 -4.132 104 HB2 TYR 554 3HB TYR 554 4.303 2.665 -5.619 105 HB3 TYR 554 2HB TYR 554 5.827 2.791 -6.499 106 HD1 TYR 554 2HD TYR 554 2.991 0.525 -5.791 107 HD2 TYR 554 1HD TYR 554 6.399 1.269 -8.226 108 HE1 TYR 554 2HE TYR 554 2.274 -1.257 -7.326 109 HE2 TYR 554 1HE TYR 554 5.691 -0.510 -9.771 110 HH TYR 554 HH TYR 554 3.590 -1.667 -10.407 111 H THR 555 HN THR 555 8.202 2.374 -5.524 112 HA THR 555 HA THR 555 9.181 0.205 -6.913 113 HB THR 555 HB THR 555 10.895 2.050 -5.244 114 HG1 THR 555 1HG THR 555 10.907 3.120 -7.494 115 HG21 THR 555 3HG2 THR 555 12.367 0.503 -6.098 116 HG22 THR 555 1HG2 THR 555 12.336 1.672 -7.417 117 HG23 THR 555 2HG2 THR 555 11.381 0.194 -7.528 118 H LYS 556 HN LYS 556 9.468 0.902 -3.452 119 HA LYS 556 HA LYS 556 11.035 -1.443 -2.918 120 HB2 LYS 556 3HB LYS 556 9.896 0.803 -1.360 121 HB3 LYS 556 2HB LYS 556 10.103 -0.719 -0.480 122 HG2 LYS 556 3HG LYS 556 12.112 0.318 -0.069 123 HG3 LYS 556 2HG LYS 556 12.501 -0.666 -1.490 124 HD2 LYS 556 3HD LYS 556 12.214 1.243 -2.958 125 HD3 LYS 556 2HD LYS 556 11.691 2.239 -1.588 126 HE2 LYS 556 3HE LYS 556 13.858 2.135 -0.572 127 HE3 LYS 556 2HE LYS 556 14.393 0.916 -1.739 128 HZ1 LYS 556 3HZ LYS 556 13.928 2.699 -3.480 129 HZ2 LYS 556 1HZ LYS 556 15.301 2.895 -2.512 130 HZ3 LYS 556 2HZ LYS 556 13.904 3.794 -2.190 131 H LEU 557 HN LEU 557 7.643 -0.592 -2.848 132 HA LEU 557 HA LEU 557 6.626 -2.667 -1.301 133 HB2 LEU 557 3HB LEU 557 5.589 -0.880 -3.418 134 HB3 LEU 557 2HB LEU 557 4.673 -2.371 -3.136 135 HG LEU 557 HG LEU 557 3.696 -0.562 -1.876 136 HD11 LEU 557 1HD1 LEU 557 3.216 -2.050 -0.308 137 HD12 LEU 557 2HD1 LEU 557 4.761 -1.733 0.479 138 HD13 LEU 557 3HD1 LEU 557 4.642 -2.986 -0.755 139 HD21 LEU 557 3HD2 LEU 557 5.482 0.968 -1.627 140 HD22 LEU 557 1HD2 LEU 557 6.476 -0.218 -0.779 141 HD23 LEU 557 2HD2 LEU 557 5.045 0.453 0.003 142 H CYS 558 HN CYS 558 7.781 -2.659 -4.593 143 HA CYS 558 HA CYS 558 6.633 -5.104 -5.424 144 HB2 CYS 558 3HB CYS 558 9.172 -3.747 -6.352 145 HB3 CYS 558 2HB CYS 558 8.343 -5.058 -7.207 146 HG CYS 558 HG CYS 558 6.923 -1.998 -6.629 147 H GLY 559 HN GLY 559 9.182 -4.389 -3.272 148 HA2 GLY 559 2HA GLY 559 10.227 -7.139 -3.488 149 HA3 GLY 559 3HA GLY 559 11.105 -5.782 -2.799 150 H VAL 560 HN VAL 560 8.011 -5.480 -1.747 151 HA VAL 560 HA VAL 560 8.572 -7.020 0.704 152 HB VAL 560 HB VAL 560 6.930 -4.493 0.548 153 HG11 VAL 560 1HG1 VAL 560 8.069 -6.021 2.887 154 HG12 VAL 560 2HG1 VAL 560 7.180 -4.500 2.986 155 HG13 VAL 560 3HG1 VAL 560 6.373 -5.959 2.410 156 HG21 VAL 560 3HG2 VAL 560 8.889 -3.437 0.287 157 HG22 VAL 560 1HG2 VAL 560 9.182 -3.863 1.973 158 HG23 VAL 560 2HG2 VAL 560 9.824 -4.879 0.681 159 H PHE 561 HN PHE 561 6.273 -6.223 -1.766 160 HA PHE 561 HA PHE 561 4.596 -8.430 -0.976 161 HB2 PHE 561 3HB PHE 561 3.699 -5.573 -0.705 162 HB3 PHE 561 2HB PHE 561 2.530 -6.834 -1.106 163 HD1 PHE 561 1HD PHE 561 2.316 -8.830 0.449 164 HD2 PHE 561 2HD PHE 561 4.347 -5.246 1.520 165 HE1 PHE 561 1HE PHE 561 2.099 -9.421 2.827 166 HE2 PHE 561 2HE PHE 561 4.134 -5.832 3.900 167 HZ PHE 561 HZ PHE 561 3.010 -7.922 4.557 168 HA PRO 562 HA PRO 562 3.810 -8.676 -5.283 169 HB2 PRO 562 3HB PRO 562 1.251 -9.646 -5.359 170 HB3 PRO 562 2HB PRO 562 2.640 -10.608 -4.861 171 HG2 PRO 562 3HG PRO 562 0.642 -9.140 -3.174 172 HG3 PRO 562 2HG PRO 562 1.297 -10.809 -2.974 173 HD2 PRO 562 3HD PRO 562 2.181 -8.704 -1.504 174 HD3 PRO 562 2HD PRO 562 3.237 -10.038 -1.999 175 HA PRO 563 HA PRO 563 1.678 -5.184 -6.894 176 HB2 PRO 563 3HB PRO 563 0.615 -6.131 -9.234 177 HB3 PRO 563 2HB PRO 563 2.338 -5.848 -8.993 178 HG2 PRO 563 3HG PRO 563 0.780 -8.402 -8.774 179 HG3 PRO 563 2HG PRO 563 2.361 -8.097 -9.587 180 HD2 PRO 563 3HD PRO 563 2.172 -9.263 -7.144 181 HD3 PRO 563 2HD PRO 563 3.516 -8.201 -7.596 182 H HIS 564 HN HIS 564 -0.319 -8.126 -7.178 183 HA HIS 564 HA HIS 564 -2.807 -6.916 -7.369 184 HB2 HIS 564 3HB HIS 564 -3.723 -9.000 -7.018 185 HB3 HIS 564 2HB HIS 564 -2.079 -9.437 -7.491 186 HD1 HIS 564 1HD HIS 564 -0.495 -10.357 -5.649 187 HD2 HIS 564 2HD HIS 564 -4.370 -9.595 -4.356 188 HE1 HIS 564 1HE HIS 564 -0.693 -11.491 -3.414 189 HE2 HIS 564 2HE HIS 564 -3.060 -11.025 -2.621 190 H LEU 565 HN LEU 565 -0.722 -7.268 -4.630 191 HA LEU 565 HA LEU 565 -2.791 -6.706 -2.690 192 HB2 LEU 565 3HB LEU 565 0.088 -7.379 -2.645 193 HB3 LEU 565 2HB LEU 565 -0.495 -6.357 -1.321 194 HG LEU 565 HG LEU 565 -1.538 -9.099 -2.030 195 HD11 LEU 565 1HD1 LEU 565 -0.586 -9.198 0.522 196 HD12 LEU 565 2HD1 LEU 565 0.581 -8.134 -0.261 197 HD13 LEU 565 3HD1 LEU 565 0.285 -9.748 -0.910 198 HD21 LEU 565 3HD2 LEU 565 -2.571 -8.694 0.351 199 HD22 LEU 565 1HD2 LEU 565 -3.388 -8.114 -1.101 200 HD23 LEU 565 2HD2 LEU 565 -2.439 -6.998 -0.119 201 H VAL 566 HN VAL 566 0.240 -5.050 -3.597 202 HA VAL 566 HA VAL 566 -0.244 -2.654 -2.290 203 HB VAL 566 HB VAL 566 1.246 -3.030 -4.892 204 HG11 VAL 566 1HG1 VAL 566 2.495 -1.002 -4.108 205 HG12 VAL 566 2HG1 VAL 566 0.819 -0.707 -4.576 206 HG13 VAL 566 3HG1 VAL 566 1.257 -0.798 -2.869 207 HG21 VAL 566 3HG2 VAL 566 2.937 -3.935 -3.752 208 HG22 VAL 566 1HG2 VAL 566 2.823 -2.724 -2.473 209 HG23 VAL 566 2HG2 VAL 566 1.794 -4.156 -2.428 210 H GLU 567 HN GLU 567 -0.908 -3.440 -5.704 211 HA GLU 567 HA GLU 567 -2.035 -1.048 -6.491 212 HB2 GLU 567 3HB GLU 567 -2.607 -3.889 -7.324 213 HB3 GLU 567 2HB GLU 567 -3.408 -2.508 -8.091 214 HG2 GLU 567 3HG GLU 567 -1.181 -1.590 -8.683 215 HG3 GLU 567 2HG GLU 567 -0.451 -3.064 -8.028 216 HE2 GLU 567 HE GLU 567 -1.343 -4.924 -10.808 217 H ALA 568 HN ALA 568 -3.399 -3.575 -4.520 218 HA ALA 568 HA ALA 568 -6.091 -2.530 -4.672 219 HB1 ALA 568 1HB ALA 568 -4.790 -4.804 -3.235 220 HB2 ALA 568 2HB ALA 568 -6.395 -4.255 -2.753 221 HB3 ALA 568 3HB ALA 568 -6.115 -4.823 -4.399 222 H VAL 569 HN VAL 569 -3.748 -2.977 -2.013 223 HA VAL 569 HA VAL 569 -5.085 -1.550 -0.060 224 HB VAL 569 HB VAL 569 -2.086 -1.595 -0.410 225 HG11 VAL 569 1HG1 VAL 569 -3.882 -1.166 1.969 226 HG12 VAL 569 2HG1 VAL 569 -2.157 -1.518 2.104 227 HG13 VAL 569 3HG1 VAL 569 -2.697 -0.050 1.289 228 HG21 VAL 569 3HG2 VAL 569 -2.694 -3.555 1.401 229 HG22 VAL 569 1HG2 VAL 569 -3.990 -3.722 0.217 230 HG23 VAL 569 2HG2 VAL 569 -2.306 -3.822 -0.299 231 H MET 570 HN MET 570 -2.973 -0.370 -2.623 232 HA MET 570 HA MET 570 -2.642 2.261 -1.763 233 HB2 MET 570 3HB MET 570 -2.658 0.951 -4.466 234 HB3 MET 570 2HB MET 570 -2.509 2.709 -4.327 235 HG2 MET 570 3HG MET 570 -0.624 1.921 -2.550 236 HG3 MET 570 2HG MET 570 -0.566 0.594 -3.713 237 HE1 MET 570 3HE MET 570 1.572 2.599 -2.792 238 HE2 MET 570 1HE MET 570 2.283 1.746 -4.162 239 HE3 MET 570 2HE MET 570 2.285 3.509 -4.124 240 H ARG 571 HN ARG 571 -5.387 0.672 -3.164 241 HA ARG 571 HA ARG 571 -6.756 3.060 -3.958 242 HB2 ARG 571 3HB ARG 571 -7.065 0.584 -4.761 243 HB3 ARG 571 2HB ARG 571 -8.171 0.486 -3.384 244 HG2 ARG 571 3HG ARG 571 -8.502 2.769 -5.264 245 HG3 ARG 571 2HG ARG 571 -9.003 1.156 -5.799 246 HD2 ARG 571 3HD ARG 571 -10.113 1.178 -3.339 247 HD3 ARG 571 2HD ARG 571 -10.154 2.906 -3.717 248 HE ARG 571 HE ARG 571 -11.771 0.857 -4.883 249 HH11 ARG 571 1HH1 ARG 571 -10.300 3.960 -5.457 250 HH12 ARG 571 2HH1 ARG 571 -11.457 4.432 -6.657 251 HH21 ARG 571 1HH2 ARG 571 -13.299 1.467 -6.463 252 HH22 ARG 571 2HH2 ARG 571 -13.162 3.013 -7.228 253 H ARG 572 HN ARG 572 -6.243 1.470 -0.995 254 HA ARG 572 HA ARG 572 -8.642 2.550 0.256 255 HB2 ARG 572 3HB ARG 572 -7.842 0.266 0.813 256 HB3 ARG 572 2HB ARG 572 -6.371 0.981 1.490 257 HG2 ARG 572 3HG ARG 572 -7.779 2.234 3.115 258 HG3 ARG 572 2HG ARG 572 -9.184 1.351 2.493 259 HD2 ARG 572 3HD ARG 572 -6.725 0.009 3.630 260 HD3 ARG 572 2HD ARG 572 -8.171 0.390 4.574 261 HE ARG 572 HE ARG 572 -7.852 -1.756 2.698 262 HH11 ARG 572 1HH1 ARG 572 -10.146 0.366 4.232 263 HH12 ARG 572 2HH1 ARG 572 -11.482 -0.718 4.029 264 HH21 ARG 572 1HH2 ARG 572 -9.603 -3.192 2.425 265 HH22 ARG 572 2HH2 ARG 572 -11.171 -2.742 3.001 266 H PHE 573 HN PHE 573 -5.130 2.951 0.371 267 HA PHE 573 HA PHE 573 -5.530 5.398 1.960 268 HB2 PHE 573 3HB PHE 573 -3.205 3.472 1.838 269 HB3 PHE 573 2HB PHE 573 -3.066 5.080 2.551 270 HD1 PHE 573 2HD PHE 573 -4.716 1.808 2.889 271 HD2 PHE 573 1HD PHE 573 -3.944 5.583 4.696 272 HE1 PHE 573 2HE PHE 573 -5.574 0.954 5.032 273 HE2 PHE 573 1HE PHE 573 -4.799 4.736 6.841 274 HZ PHE 573 HZ PHE 573 -5.618 2.419 7.011 275 HA PRO 574 HA PRO 574 -4.066 6.667 -2.265 276 HB2 PRO 574 3HB PRO 574 -5.876 8.703 -2.550 277 HB3 PRO 574 2HB PRO 574 -6.216 7.031 -2.990 278 HG2 PRO 574 3HG PRO 574 -6.909 8.515 -0.478 279 HG3 PRO 574 2HG PRO 574 -7.940 7.427 -1.480 280 HD2 PRO 574 3HD PRO 574 -6.773 6.620 0.835 281 HD3 PRO 574 2HD PRO 574 -7.019 5.532 -0.544 282 H GLN 575 HN GLN 575 -4.269 7.995 0.846 283 HA GLN 575 HA GLN 575 -2.686 10.342 0.036 284 HB2 GLN 575 3HB GLN 575 -3.464 11.505 1.955 285 HB3 GLN 575 2HB GLN 575 -4.884 10.757 1.205 286 HG2 GLN 575 3HG GLN 575 -4.735 8.904 2.844 287 HG3 GLN 575 2HG GLN 575 -3.406 9.767 3.631 288 HE21 GLN 575 1HE2 GLN 575 -3.910 12.025 4.314 289 HE22 GLN 575 2HE2 GLN 575 -5.474 12.322 4.984 290 H LEU 576 HN LEU 576 -2.589 7.358 1.622 291 HA LEU 576 HA LEU 576 -0.024 8.072 2.886 292 HB2 LEU 576 3HB LEU 576 -2.374 6.924 4.044 293 HB3 LEU 576 2HB LEU 576 -1.064 5.729 4.087 294 HG LEU 576 HG LEU 576 -1.063 8.478 5.326 295 HD11 LEU 576 1HD1 LEU 576 -0.760 7.188 7.409 296 HD12 LEU 576 2HD1 LEU 576 -0.967 5.699 6.488 297 HD13 LEU 576 3HD1 LEU 576 -2.296 6.852 6.609 298 HD21 LEU 576 3HD2 LEU 576 1.184 7.267 6.236 299 HD22 LEU 576 1HD2 LEU 576 1.143 8.420 4.902 300 HD23 LEU 576 2HD2 LEU 576 1.141 6.688 4.570 301 H LEU 577 HN LEU 577 1.564 7.237 1.710 302 HA LEU 577 HA LEU 577 1.297 4.460 0.776 303 HB2 LEU 577 3HB LEU 577 2.370 6.847 -0.720 304 HB3 LEU 577 2HB LEU 577 2.746 5.177 -1.182 305 HG LEU 577 HG LEU 577 0.998 5.938 -2.602 306 HD11 LEU 577 1HD1 LEU 577 0.843 3.652 -1.255 307 HD12 LEU 577 2HD1 LEU 577 -0.393 4.157 -2.407 308 HD13 LEU 577 3HD1 LEU 577 -0.646 4.398 -0.678 309 HD21 LEU 577 3HD2 LEU 577 0.308 7.660 -0.671 310 HD22 LEU 577 1HD2 LEU 577 -0.942 6.440 -0.429 311 HD23 LEU 577 2HD2 LEU 577 -0.766 7.221 -2.000 312 H ASP 578 HN ASP 578 2.543 3.548 2.352 313 HA ASP 578 HA ASP 578 5.376 4.347 2.370 314 HB2 ASP 578 3HB ASP 578 3.491 4.037 4.638 315 HB3 ASP 578 2HB ASP 578 5.095 3.325 4.861 316 HD2 ASP 578 HD ASP 578 5.208 7.226 4.159 317 HA PRO 579 HA PRO 579 6.290 0.137 1.522 318 HB2 PRO 579 3HB PRO 579 8.765 -0.082 2.675 319 HB3 PRO 579 2HB PRO 579 8.459 0.812 1.185 320 HG2 PRO 579 3HG PRO 579 8.679 1.824 4.000 321 HG3 PRO 579 2HG PRO 579 9.412 2.484 2.491 322 HD2 PRO 579 3HD PRO 579 7.194 3.553 3.632 323 HD3 PRO 579 2HD PRO 579 7.450 3.528 1.878 324 H GLN 580 HN GLN 580 7.090 1.102 4.861 325 HA GLN 580 HA GLN 580 6.708 -1.578 5.846 326 HB2 GLN 580 3HB GLN 580 7.325 1.070 7.144 327 HB3 GLN 580 2HB GLN 580 6.978 -0.378 8.103 328 HG2 GLN 580 3HG GLN 580 8.992 -1.271 7.736 329 HG3 GLN 580 2HG GLN 580 8.981 -0.809 6.029 330 HE21 GLN 580 1HE2 GLN 580 8.876 1.837 6.005 331 HE22 GLN 580 2HE2 GLN 580 10.228 2.536 6.821 332 H GLN 581 HN GLN 581 5.043 1.539 6.287 333 HA GLN 581 HA GLN 581 2.999 0.763 7.945 334 HB2 GLN 581 3HB GLN 581 3.612 3.021 6.461 335 HB3 GLN 581 2HB GLN 581 2.046 2.510 5.812 336 HG2 GLN 581 3HG GLN 581 1.004 2.652 7.944 337 HG3 GLN 581 2HG GLN 581 2.563 2.871 8.749 338 HE21 GLN 581 1HE2 GLN 581 3.801 4.754 7.307 339 HE22 GLN 581 2HE2 GLN 581 2.910 6.233 7.326 340 H LEU 582 HN LEU 582 3.017 0.621 4.389 341 HA LEU 582 HA LEU 582 0.481 -0.390 3.971 342 HB2 LEU 582 3HB LEU 582 3.075 -0.616 2.507 343 HB3 LEU 582 2HB LEU 582 1.703 -1.610 1.986 344 HG LEU 582 HG LEU 582 1.739 1.404 2.126 345 HD11 LEU 582 1HD1 LEU 582 3.103 0.165 0.320 346 HD12 LEU 582 2HD1 LEU 582 1.997 1.444 -0.179 347 HD13 LEU 582 3HD1 LEU 582 1.530 -0.246 -0.362 348 HD21 LEU 582 3HD2 LEU 582 -0.380 0.728 0.584 349 HD22 LEU 582 1HD2 LEU 582 -0.481 1.097 2.306 350 HD23 LEU 582 2HD2 LEU 582 -0.401 -0.581 1.768 351 H ALA 583 HN ALA 583 3.381 -2.047 5.026 352 HA ALA 583 HA ALA 583 2.576 -4.695 4.621 353 HB1 ALA 583 1HB ALA 583 4.424 -5.298 5.817 354 HB2 ALA 583 2HB ALA 583 4.851 -3.629 5.434 355 HB3 ALA 583 3HB ALA 583 4.196 -4.030 7.022 356 H ALA 584 HN ALA 584 1.783 -2.400 7.139 357 HA ALA 584 HA ALA 584 0.691 -4.271 8.980 358 HB1 ALA 584 1HB ALA 584 0.408 -2.495 10.314 359 HB2 ALA 584 2HB ALA 584 1.330 -1.621 9.089 360 HB3 ALA 584 3HB ALA 584 -0.432 -1.571 9.067 361 H GLU 585 HN GLU 585 -0.787 -2.105 6.573 362 HA GLU 585 HA GLU 585 -3.448 -2.928 7.061 363 HB2 GLU 585 3HB GLU 585 -2.404 -1.854 4.439 364 HB3 GLU 585 2HB GLU 585 -4.036 -1.702 5.109 365 HG2 GLU 585 3HG GLU 585 -1.527 -0.348 6.093 366 HG3 GLU 585 2HG GLU 585 -2.926 0.402 5.311 367 HE2 GLU 585 HE GLU 585 -3.081 -0.321 9.173 368 H ILE 586 HN ILE 586 -1.104 -3.860 4.554 369 HA ILE 586 HA ILE 586 -2.672 -5.626 3.114 370 HB ILE 586 HB ILE 586 0.279 -5.867 3.709 371 HG12 ILE 586 1HG1 ILE 586 -0.879 -4.837 1.146 372 HG13 ILE 586 2HG1 ILE 586 -0.794 -3.756 2.548 373 HG21 ILE 586 1HG2 ILE 586 -1.531 -7.307 1.818 374 HG22 ILE 586 2HG2 ILE 586 0.161 -7.049 1.399 375 HG23 ILE 586 3HG2 ILE 586 -0.259 -7.947 2.858 376 HD11 ILE 586 3HD1 ILE 586 1.148 -3.387 1.230 377 HD12 ILE 586 1HD1 ILE 586 1.644 -4.235 2.694 378 HD13 ILE 586 2HD1 ILE 586 1.505 -5.113 1.169 379 H LEU 587 HN LEU 587 -0.843 -6.183 6.084 380 HA LEU 587 HA LEU 587 -1.020 -8.933 6.282 381 HB2 LEU 587 3HB LEU 587 -0.862 -6.698 8.246 382 HB3 LEU 587 2HB LEU 587 -1.263 -8.315 8.852 383 HG LEU 587 HG LEU 587 1.168 -7.878 7.152 384 HD11 LEU 587 1HD1 LEU 587 1.967 -7.970 9.835 385 HD12 LEU 587 2HD1 LEU 587 0.700 -6.747 9.745 386 HD13 LEU 587 3HD1 LEU 587 2.121 -6.622 8.708 387 HD21 LEU 587 3HD2 LEU 587 0.023 -10.142 8.038 388 HD22 LEU 587 1HD2 LEU 587 1.077 -9.781 9.406 389 HD23 LEU 587 2HD2 LEU 587 1.761 -9.962 7.790 390 H SER 588 HN SER 588 -3.488 -6.523 6.765 391 HA SER 588 HA SER 588 -5.337 -8.325 8.043 392 HB2 SER 588 1HB SER 588 -6.649 -6.495 8.401 393 HB3 SER 588 2HB SER 588 -5.141 -5.636 8.042 394 HG SER 588 HG SER 588 -5.837 -5.267 5.976 395 H TYR 589 HN TYR 589 -4.790 -7.068 4.802 396 HA TYR 589 HA TYR 589 -7.132 -7.881 3.555 397 HB2 TYR 589 3HB TYR 589 -5.290 -6.483 2.558 398 HB3 TYR 589 2HB TYR 589 -4.377 -7.975 2.313 399 HD1 TYR 589 1HD TYR 589 -7.549 -6.281 1.386 400 HD2 TYR 589 2HD TYR 589 -4.741 -9.332 0.429 401 HE1 TYR 589 1HE TYR 589 -8.683 -6.641 -0.766 402 HE2 TYR 589 2HE TYR 589 -5.866 -9.699 -1.727 403 HH TYR 589 HH TYR 589 -8.544 -9.168 -2.518 404 H LYS 590 HN LYS 590 -4.236 -9.725 4.337 405 HA LYS 590 HA LYS 590 -5.096 -12.087 2.950 406 HB2 LYS 590 3HB LYS 590 -2.932 -11.691 5.031 407 HB3 LYS 590 2HB LYS 590 -3.168 -13.159 4.068 408 HG2 LYS 590 3HG LYS 590 -2.857 -10.611 2.578 409 HG3 LYS 590 2HG LYS 590 -1.426 -11.263 3.398 410 HD2 LYS 590 3HD LYS 590 -1.189 -12.383 1.437 411 HD3 LYS 590 2HD LYS 590 -2.298 -13.511 2.238 412 HE2 LYS 590 3HE LYS 590 -3.416 -13.260 0.262 413 HE3 LYS 590 2HE LYS 590 -4.120 -11.912 1.168 414 HZ1 LYS 590 3HZ LYS 590 -3.484 -10.705 -0.584 415 HZ2 LYS 590 1HZ LYS 590 -2.383 -11.866 -1.133 416 HZ3 LYS 590 2HZ LYS 590 -1.932 -10.782 0.084 417 H SER 591 HN SER 591 -4.915 -11.096 6.358 418 HA SER 591 HA SER 591 -5.890 -13.459 7.486 419 HB2 SER 591 1HB SER 591 -4.830 -11.666 8.804 420 HB3 SER 591 2HB SER 591 -6.232 -10.625 8.498 421 HG SER 591 HG SER 591 -7.346 -11.676 9.952 422 H GLN 592 HN GLN 592 -7.508 -10.931 5.782 423 HA GLN 592 HA GLN 592 -10.102 -11.145 6.764 424 HB2 GLN 592 3HB GLN 592 -8.967 -10.407 4.081 425 HB3 GLN 592 2HB GLN 592 -10.719 -10.500 4.321 426 HG2 GLN 592 3HG GLN 592 -9.288 -8.938 6.357 427 HG3 GLN 592 2HG GLN 592 -9.219 -8.279 4.717 428 HE21 GLN 592 1HE2 GLN 592 -10.634 -6.685 4.622 429 HE22 GLN 592 2HE2 GLN 592 -12.279 -6.759 5.144 430 H HIS 593 HN HIS 593 -8.357 -13.171 4.495 431 HA HIS 593 HA HIS 593 -10.741 -14.807 4.045 432 HB2 HIS 593 3HB HIS 593 -8.012 -14.759 2.748 433 HB3 HIS 593 2HB HIS 593 -9.209 -16.012 2.410 434 HD1 HIS 593 1HD HIS 593 -9.376 -15.255 -0.067 435 HD2 HIS 593 2HD HIS 593 -10.500 -12.356 2.690 436 HE1 HIS 593 1HE HIS 593 -10.551 -13.477 -1.401 437 HE2 HIS 593 2HE HIS 593 -11.237 -11.704 0.282 438 H LEU 594 HN LEU 594 -9.537 -14.797 6.641 439 HA LEU 594 HA LEU 594 -8.559 -17.574 6.772 440 HB2 LEU 594 3HB LEU 594 -7.043 -15.515 7.443 441 HB3 LEU 594 2HB LEU 594 -7.971 -15.631 8.948 442 HG LEU 594 HG LEU 594 -7.230 -18.121 8.921 443 HD11 LEU 594 1HD1 LEU 594 -6.275 -17.803 6.565 444 HD12 LEU 594 2HD1 LEU 594 -5.296 -18.676 7.743 445 HD13 LEU 594 3HD1 LEU 594 -4.929 -16.993 7.366 446 HD21 LEU 594 3HD2 LEU 594 -5.298 -15.878 9.503 447 HD22 LEU 594 1HD2 LEU 594 -5.177 -17.524 10.124 448 HD23 LEU 594 2HD2 LEU 594 -6.536 -16.502 10.595 449 H SER 595 HN SER 595 -9.936 -18.917 7.710 450 HA SER 595 HA SER 595 -12.204 -17.920 9.184 451 HB2 SER 595 1HB SER 595 -11.415 -20.818 8.802 452 HB3 SER 595 2HB SER 595 -13.028 -20.161 9.131 453 HG SER 595 HG SER 595 -13.285 -19.927 7.070 454 H GLU 596 HN GLU 596 -11.939 -17.316 11.230 455 HA GLU 596 HA GLU 596 -9.869 -18.307 12.913 456 HB2 GLU 596 3HB GLU 596 -10.867 -16.031 13.096 457 HB3 GLU 596 2HB GLU 596 -12.352 -16.777 13.706 458 HG2 GLU 596 3HG GLU 596 -11.186 -16.007 15.602 459 HG3 GLU 596 2HG GLU 596 -10.968 -17.763 15.560 460 HE2 GLU 596 HE GLU 596 -7.555 -17.419 14.776
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