NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627547 | 5vwe | 30296 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 551 HT1 MET 551 57.127 -8.262 0.127 2 HA MET 551 HA MET 551 54.615 -7.496 1.499 3 HB2 MET 551 HB2 MET 551 55.842 -9.294 2.740 4 HB3 MET 551 HB3 MET 551 57.276 -8.267 2.743 5 HG2 MET 551 HG2 MET 551 56.110 -6.558 4.026 6 HG3 MET 551 HG3 MET 551 54.600 -7.462 3.924 7 HE1 MET 551 HE1 MET 551 58.223 -7.683 6.348 8 HE2 MET 551 HE2 MET 551 58.182 -7.557 4.592 9 HE3 MET 551 HE3 MET 551 58.439 -9.125 5.350 10 H SER 552 HN SER 552 58.064 -6.898 0.818 11 HA SER 552 HA SER 552 58.149 -4.252 1.816 12 HB2 SER 552 HB2 SER 552 60.216 -4.040 0.481 13 HB3 SER 552 HB3 SER 552 60.182 -5.534 1.413 14 HG SER 552 HG SER 552 60.113 -6.635 -0.381 15 H ALA 553 HN ALA 553 57.328 -5.571 -1.366 16 HA ALA 553 HA ALA 553 57.245 -3.139 -2.816 17 HB1 ALA 553 HB1 ALA 553 55.428 -4.544 -4.143 18 HB2 ALA 553 HB2 ALA 553 56.023 -5.860 -3.131 19 HB3 ALA 553 HB3 ALA 553 57.131 -5.002 -4.202 20 H TYR 554 HN TYR 554 54.889 -4.851 -0.853 21 HA TYR 554 HA TYR 554 52.613 -3.259 -1.369 22 HB2 TYR 554 HB2 TYR 554 52.546 -5.500 -0.363 23 HB3 TYR 554 HB3 TYR 554 53.395 -4.903 1.053 24 HD1 TYR 554 HD1 TYR 554 50.203 -4.835 -0.812 25 HD2 TYR 554 HD2 TYR 554 52.260 -3.611 2.751 26 HE1 TYR 554 HE1 TYR 554 48.032 -4.279 0.249 27 HE2 TYR 554 HE2 TYR 554 50.091 -3.048 3.812 28 HH TYR 554 HH TYR 554 47.544 -2.393 2.586 29 H MET 555 HN MET 555 55.146 -3.081 1.145 30 HA MET 555 HA MET 555 54.045 -0.942 2.623 31 HB2 MET 555 HB2 MET 555 56.842 -2.010 2.283 32 HB3 MET 555 HB3 MET 555 56.535 -0.561 3.237 33 HG2 MET 555 HG2 MET 555 55.073 -1.768 4.734 34 HG3 MET 555 HG3 MET 555 55.111 -3.192 3.697 35 HE1 MET 555 HE1 MET 555 57.362 -0.718 5.801 36 HE2 MET 555 HE2 MET 555 58.285 -0.928 4.311 37 HE3 MET 555 HE3 MET 555 58.912 -1.573 5.826 38 H LEU 556 HN LEU 556 56.419 -0.923 -0.063 39 HA LEU 556 HA LEU 556 56.811 1.895 -0.087 40 HB2 LEU 556 HB2 LEU 556 57.114 -0.104 -2.350 41 HB3 LEU 556 HB3 LEU 556 57.720 1.548 -2.367 42 HG LEU 556 HG LEU 556 58.579 -0.642 -0.440 43 HD11 LEU 556 HD11 LEU 556 59.358 -0.895 -2.793 44 HD12 LEU 556 HD12 LEU 556 60.685 -0.581 -1.674 45 HD13 LEU 556 HD13 LEU 556 60.074 0.714 -2.703 46 HD21 LEU 556 HD21 LEU 556 60.442 1.090 0.051 47 HD22 LEU 556 HD22 LEU 556 58.856 1.406 0.756 48 HD23 LEU 556 HD23 LEU 556 59.367 2.277 -0.693 49 H TRP 557 HN TRP 557 54.666 -0.243 -1.887 50 HA TRP 557 HA TRP 557 53.460 1.647 -3.606 51 HB2 TRP 557 HB2 TRP 557 53.360 -0.726 -4.028 52 HB3 TRP 557 HB3 TRP 557 52.564 -1.023 -2.494 53 HD1 TRP 557 HD1 TRP 557 51.895 -0.342 -6.083 54 HE1 TRP 557 HE1 TRP 557 49.352 -0.187 -6.491 55 HE3 TRP 557 HE3 TRP 557 50.247 0.056 -1.258 56 HZ2 TRP 557 HZ2 TRP 557 46.928 0.064 -4.951 57 HZ3 TRP 557 HZ3 TRP 557 47.848 0.268 -0.777 58 HH2 TRP 557 HH2 TRP 557 46.182 0.275 -2.601 59 H LEU 558 HN LEU 558 52.604 0.478 -0.376 60 HA LEU 558 HA LEU 558 50.112 1.774 -0.111 61 HB2 LEU 558 HB2 LEU 558 51.326 -0.041 1.382 62 HB3 LEU 558 HB3 LEU 558 51.920 1.363 2.253 63 HG LEU 558 HG LEU 558 48.995 0.705 1.741 64 HD11 LEU 558 HD11 LEU 558 50.761 0.455 4.190 65 HD12 LEU 558 HD12 LEU 558 49.968 -0.854 3.313 66 HD13 LEU 558 HD13 LEU 558 49.004 0.308 4.225 67 HD21 LEU 558 HD21 LEU 558 49.061 3.055 1.983 68 HD22 LEU 558 HD22 LEU 558 50.380 2.994 3.153 69 HD23 LEU 558 HD23 LEU 558 48.754 2.498 3.625 70 H ASN 559 HN ASN 559 53.434 2.823 0.679 71 HA ASN 559 HA ASN 559 52.767 5.215 2.011 72 HB2 ASN 559 HB2 ASN 559 55.190 4.338 0.454 73 HB3 ASN 559 HB3 ASN 559 55.087 5.956 1.137 74 HD21 ASN 559 HD21 ASN 559 57.063 4.087 2.028 75 HD22 ASN 559 HD22 ASN 559 56.715 3.667 3.636 76 H ALA 560 HN ALA 560 53.471 4.619 -1.421 77 HA ALA 560 HA ALA 560 53.078 7.344 -2.216 78 HB1 ALA 560 HB1 ALA 560 53.381 4.732 -3.668 79 HB2 ALA 560 HB2 ALA 560 54.435 6.146 -3.686 80 HB3 ALA 560 HB3 ALA 560 52.894 6.184 -4.542 81 H SER 561 HN SER 561 51.091 4.443 -2.223 82 HA SER 561 HA SER 561 48.855 5.606 -3.571 83 HB2 SER 561 HB2 SER 561 49.232 3.044 -2.035 84 HB3 SER 561 HB3 SER 561 47.673 3.514 -2.708 85 HG SER 561 HG SER 561 50.128 3.075 -4.064 86 H ARG 562 HN ARG 562 49.853 5.524 -0.235 87 HA ARG 562 HA ARG 562 47.440 5.724 1.124 88 HB2 ARG 562 HB2 ARG 562 49.642 5.508 2.225 89 HB3 ARG 562 HB3 ARG 562 50.036 7.160 1.766 90 HG2 ARG 562 HG2 ARG 562 48.130 7.984 3.111 91 HG3 ARG 562 HG3 ARG 562 47.736 6.324 3.567 92 HD2 ARG 562 HD2 ARG 562 50.043 6.111 4.545 93 HD3 ARG 562 HD3 ARG 562 50.294 7.822 4.211 94 HE ARG 562 HE ARG 562 47.915 7.547 5.701 95 HH11 ARG 562 HH11 ARG 562 51.376 7.117 6.132 96 HH12 ARG 562 HH12 ARG 562 51.318 7.465 7.828 97 HH21 ARG 562 HH21 ARG 562 47.905 8.008 7.901 98 HH22 ARG 562 HH22 ARG 562 49.374 7.962 8.816 99 H GLU 563 HN GLU 563 49.319 8.337 -0.411 100 HA GLU 563 HA GLU 563 47.603 10.453 0.408 101 HB2 GLU 563 HB2 GLU 563 49.950 10.757 -0.367 102 HB3 GLU 563 HB3 GLU 563 49.441 10.321 -1.996 103 HG2 GLU 563 HG2 GLU 563 47.885 12.241 -2.026 104 HG3 GLU 563 HG3 GLU 563 48.382 12.674 -0.394 105 H LYS 564 HN LYS 564 47.752 8.443 -2.511 106 HA LYS 564 HA LYS 564 45.737 9.780 -3.986 107 HB2 LYS 564 HB2 LYS 564 46.694 6.907 -4.069 108 HB3 LYS 564 HB3 LYS 564 45.544 7.585 -5.219 109 HG2 LYS 564 HG2 LYS 564 47.206 9.281 -5.895 110 HG3 LYS 564 HG3 LYS 564 48.359 8.618 -4.735 111 HD2 LYS 564 HD2 LYS 564 48.322 6.451 -5.916 112 HD3 LYS 564 HD3 LYS 564 47.152 7.093 -7.070 113 HE2 LYS 564 HE2 LYS 564 48.792 8.803 -7.782 114 HE3 LYS 564 HE3 LYS 564 49.963 8.157 -6.631 115 HZ1 LYS 564 HZ1 LYS 564 50.127 6.162 -7.813 116 HZ2 LYS 564 HZ2 LYS 564 50.127 7.361 -9.017 117 HZ3 LYS 564 HZ3 LYS 564 48.719 6.459 -8.712 118 H ILE 565 HN ILE 565 45.597 6.979 -1.795 119 HA ILE 565 HA ILE 565 42.814 6.495 -2.093 120 HB ILE 565 HB ILE 565 44.631 5.734 0.222 121 HG12 ILE 565 HG12 ILE 565 43.772 4.007 -2.121 122 HG13 ILE 565 HG13 ILE 565 45.259 4.946 -2.157 123 HG21 ILE 565 HG21 ILE 565 42.956 4.046 0.732 124 HG22 ILE 565 HG22 ILE 565 42.016 4.485 -0.694 125 HG23 ILE 565 HG23 ILE 565 42.142 5.609 0.658 126 HD11 ILE 565 HD11 ILE 565 45.659 2.614 -1.395 127 HD12 ILE 565 HD12 ILE 565 44.558 2.883 -0.044 128 HD13 ILE 565 HD13 ILE 565 46.068 3.788 -0.144 129 H LYS 566 HN LYS 566 44.682 8.312 0.343 130 HA LYS 566 HA LYS 566 42.515 8.997 2.015 131 HB2 LYS 566 HB2 LYS 566 44.922 9.237 2.631 132 HB3 LYS 566 HB3 LYS 566 45.045 10.596 1.515 133 HG2 LYS 566 HG2 LYS 566 43.363 11.841 2.801 134 HG3 LYS 566 HG3 LYS 566 43.153 10.466 3.890 135 HD2 LYS 566 HD2 LYS 566 45.537 10.636 4.549 136 HD3 LYS 566 HD3 LYS 566 45.721 12.033 3.490 137 HE2 LYS 566 HE2 LYS 566 43.736 11.913 5.779 138 HE3 LYS 566 HE3 LYS 566 45.344 12.622 5.910 139 HZ1 LYS 566 HZ1 LYS 566 44.201 14.460 5.320 140 HZ2 LYS 566 HZ2 LYS 566 42.989 13.599 4.497 141 HZ3 LYS 566 HZ3 LYS 566 44.494 13.872 3.756 142 H SER 567 HN SER 567 43.927 10.652 -0.801 143 HA SER 567 HA SER 567 42.218 12.937 -0.665 144 HB2 SER 567 HB2 SER 567 43.663 11.843 -3.087 145 HB3 SER 567 HB3 SER 567 43.060 13.483 -2.866 146 HG SER 567 HG SER 567 44.924 12.265 -1.109 147 H ASP 568 HN ASP 568 42.064 9.850 -2.391 148 HA ASP 568 HA ASP 568 39.730 10.497 -3.920 149 HB2 ASP 568 HB2 ASP 568 41.027 7.854 -3.239 150 HB3 ASP 568 HB3 ASP 568 39.655 8.019 -4.327 151 H HIS 569 HN HIS 569 40.270 9.138 -0.730 152 HA HIS 569 HA HIS 569 37.335 8.924 -0.369 153 HB2 HIS 569 HB2 HIS 569 39.402 7.258 1.102 154 HB3 HIS 569 HB3 HIS 569 37.652 7.112 1.206 155 HD2 HIS 569 HD2 HIS 569 40.224 6.838 -1.834 156 HE1 HIS 569 HE1 HIS 569 37.290 3.837 -2.208 157 HE2 HIS 569 HE2 HIS 569 39.387 4.812 -3.246 158 HA PRO 570 HA PRO 570 39.133 12.214 2.452 159 HB2 PRO 570 HB2 PRO 570 36.431 13.382 2.028 160 HB3 PRO 570 HB3 PRO 570 38.025 14.155 1.923 161 HG2 PRO 570 HG2 PRO 570 36.617 13.633 -0.261 162 HG3 PRO 570 HG3 PRO 570 38.379 13.432 -0.236 163 HD2 PRO 570 HD2 PRO 570 36.244 11.321 -0.049 164 HD3 PRO 570 HD3 PRO 570 37.775 11.296 -0.956 165 H GLY 571 HN GLY 571 38.832 12.325 4.631 166 HA2 GLY 571 HA2 GLY 571 37.915 12.011 6.719 167 HA3 GLY 571 HA3 GLY 571 36.355 11.772 5.946 168 H ILE 572 HN ILE 572 38.953 9.727 4.860 169 HA ILE 572 HA ILE 572 37.598 7.439 6.059 170 HB ILE 572 HB ILE 572 38.243 7.354 3.659 171 HG12 ILE 572 HG12 ILE 572 39.815 5.305 5.240 172 HG13 ILE 572 HG13 ILE 572 38.052 5.328 5.247 173 HG21 ILE 572 HG21 ILE 572 41.094 7.185 4.681 174 HG22 ILE 572 HG22 ILE 572 40.407 8.617 3.920 175 HG23 ILE 572 HG23 ILE 572 40.563 7.118 3.000 176 HD11 ILE 572 HD11 ILE 572 38.680 3.806 3.523 177 HD12 ILE 572 HD12 ILE 572 39.888 4.918 2.881 178 HD13 ILE 572 HD13 ILE 572 38.171 5.281 2.701 179 H SER 573 HN SER 573 38.389 6.168 7.632 180 HA SER 573 HA SER 573 40.385 7.232 9.365 181 HB2 SER 573 HB2 SER 573 39.804 5.505 10.831 182 HB3 SER 573 HB3 SER 573 38.320 5.769 9.923 183 HG SER 573 HG SER 573 38.739 3.584 9.934 184 H ILE 574 HN ILE 574 42.270 6.038 10.136 185 HA ILE 574 HA ILE 574 44.070 5.396 8.048 186 HB ILE 574 HB ILE 574 44.317 4.723 10.995 187 HG12 ILE 574 HG12 ILE 574 43.835 7.127 10.709 188 HG13 ILE 574 HG13 ILE 574 45.494 6.886 11.238 189 HG21 ILE 574 HG21 ILE 574 46.414 5.085 8.833 190 HG22 ILE 574 HG22 ILE 574 45.983 3.574 9.635 191 HG23 ILE 574 HG23 ILE 574 46.761 4.866 10.549 192 HD11 ILE 574 HD11 ILE 574 44.521 7.613 8.457 193 HD12 ILE 574 HD12 ILE 574 46.169 7.070 8.773 194 HD13 ILE 574 HD13 ILE 574 45.574 8.553 9.515 195 H THR 575 HN THR 575 42.316 3.389 10.382 196 HA THR 575 HA THR 575 43.391 0.894 9.649 197 HB THR 575 HB THR 575 40.577 1.382 10.643 198 HG1 THR 575 HG3 THR 575 43.068 1.356 11.988 199 HG21 THR 575 HG21 THR 575 40.971 -0.807 11.746 200 HG22 THR 575 HG22 THR 575 42.556 -0.890 10.976 201 HG23 THR 575 HG23 THR 575 41.093 -0.924 9.991 202 H ASP 576 HN ASP 576 40.555 2.677 8.478 203 HA ASP 576 HA ASP 576 39.618 0.707 6.670 204 HB2 ASP 576 HB2 ASP 576 39.213 3.663 6.980 205 HB3 ASP 576 HB3 ASP 576 38.645 2.866 5.517 206 H LEU 577 HN LEU 577 41.999 3.312 6.377 207 HA LEU 577 HA LEU 577 42.348 3.268 3.578 208 HB2 LEU 577 HB2 LEU 577 44.171 4.023 5.853 209 HB3 LEU 577 HB3 LEU 577 44.747 4.035 4.193 210 HG LEU 577 HG LEU 577 42.316 5.570 5.164 211 HD11 LEU 577 HD11 LEU 577 44.417 6.376 6.192 212 HD12 LEU 577 HD12 LEU 577 43.791 7.543 5.026 213 HD13 LEU 577 HD13 LEU 577 45.145 6.499 4.590 214 HD21 LEU 577 HD21 LEU 577 43.893 5.549 2.567 215 HD22 LEU 577 HD22 LEU 577 42.752 6.825 2.991 216 HD23 LEU 577 HD23 LEU 577 42.182 5.172 2.778 217 H SER 578 HN SER 578 43.859 1.390 6.176 218 HA SER 578 HA SER 578 45.797 0.050 4.655 219 HB2 SER 578 HB2 SER 578 44.278 -0.859 7.111 220 HB3 SER 578 HB3 SER 578 45.686 -1.688 6.450 221 HG SER 578 HG SER 578 46.748 0.434 6.646 222 H LYS 579 HN LYS 579 42.402 -0.776 5.333 223 HA LYS 579 HA LYS 579 42.394 -3.252 3.921 224 HB2 LYS 579 HB2 LYS 579 40.144 -1.342 4.601 225 HB3 LYS 579 HB3 LYS 579 39.904 -2.927 3.870 226 HG2 LYS 579 HG2 LYS 579 41.010 -3.990 5.811 227 HG3 LYS 579 HG3 LYS 579 41.228 -2.400 6.550 228 HD2 LYS 579 HD2 LYS 579 38.753 -2.067 6.480 229 HD3 LYS 579 HD3 LYS 579 38.579 -3.703 5.848 230 HE2 LYS 579 HE2 LYS 579 39.895 -3.037 8.499 231 HE3 LYS 579 HE3 LYS 579 38.219 -3.551 8.323 232 HZ1 LYS 579 HZ1 LYS 579 39.582 -5.423 6.915 233 HZ2 LYS 579 HZ2 LYS 579 39.033 -5.599 8.513 234 HZ3 LYS 579 HZ3 LYS 579 40.630 -5.108 8.212 235 H LYS 580 HN LYS 580 41.667 0.096 3.011 236 HA LYS 580 HA LYS 580 40.695 -0.342 0.396 237 HB2 LYS 580 HB2 LYS 580 42.185 1.996 1.621 238 HB3 LYS 580 HB3 LYS 580 41.482 2.031 0.004 239 HG2 LYS 580 HG2 LYS 580 39.821 1.275 2.410 240 HG3 LYS 580 HG3 LYS 580 40.068 2.961 1.965 241 HD2 LYS 580 HD2 LYS 580 39.151 2.513 -0.278 242 HD3 LYS 580 HD3 LYS 580 38.902 0.820 0.161 243 HE2 LYS 580 HE2 LYS 580 37.377 1.510 1.973 244 HE3 LYS 580 HE3 LYS 580 37.629 3.202 1.544 245 HZ1 LYS 580 HZ1 LYS 580 35.737 2.732 0.383 246 HZ2 LYS 580 HZ2 LYS 580 36.163 1.113 0.098 247 HZ3 LYS 580 HZ3 LYS 580 36.898 2.358 -0.795 248 H ALA 581 HN ALA 581 43.955 0.149 1.661 249 HA ALA 581 HA ALA 581 45.344 0.292 -0.784 250 HB1 ALA 581 HB1 ALA 581 46.033 -0.306 2.060 251 HB2 ALA 581 HB2 ALA 581 46.679 0.932 0.983 252 HB3 ALA 581 HB3 ALA 581 47.214 -0.740 0.824 253 H GLY 582 HN GLY 582 44.434 -2.436 1.277 254 HA2 GLY 582 HA2 GLY 582 45.784 -4.459 -0.193 255 HA3 GLY 582 HA3 GLY 582 44.462 -4.711 0.944 256 H GLU 583 HN GLU 583 42.463 -3.171 -0.301 257 HA GLU 583 HA GLU 583 41.430 -5.016 -2.172 258 HB2 GLU 583 HB2 GLU 583 40.618 -2.164 -1.570 259 HB3 GLU 583 HB3 GLU 583 39.718 -3.234 -2.644 260 HG2 GLU 583 HG2 GLU 583 39.419 -4.845 -0.801 261 HG3 GLU 583 HG3 GLU 583 40.329 -3.791 0.274 262 H ILE 584 HN ILE 584 42.978 -1.833 -2.647 263 HA ILE 584 HA ILE 584 42.585 -1.746 -5.451 264 HB ILE 584 HB ILE 584 44.657 -0.369 -3.700 265 HG12 ILE 584 HG12 ILE 584 42.137 0.697 -5.025 266 HG13 ILE 584 HG13 ILE 584 42.169 0.092 -3.371 267 HG21 ILE 584 HG21 ILE 584 45.440 -0.480 -6.054 268 HG22 ILE 584 HG22 ILE 584 44.953 1.165 -5.645 269 HG23 ILE 584 HG23 ILE 584 43.885 0.142 -6.606 270 HD11 ILE 584 HD11 ILE 584 43.757 1.801 -2.708 271 HD12 ILE 584 HD12 ILE 584 42.417 2.590 -3.542 272 HD13 ILE 584 HD13 ILE 584 43.949 2.330 -4.380 273 H TRP 585 HN TRP 585 45.282 -2.932 -3.471 274 HA TRP 585 HA TRP 585 47.071 -3.612 -5.530 275 HB2 TRP 585 HB2 TRP 585 46.793 -4.116 -2.677 276 HB3 TRP 585 HB3 TRP 585 47.321 -5.589 -3.482 277 HD1 TRP 585 HD1 TRP 585 48.848 -3.052 -1.722 278 HE1 TRP 585 HE1 TRP 585 51.205 -2.418 -2.612 279 HE3 TRP 585 HE3 TRP 585 48.587 -5.148 -6.334 280 HZ2 TRP 585 HZ2 TRP 585 52.760 -2.772 -5.043 281 HZ3 TRP 585 HZ3 TRP 585 50.481 -4.997 -7.913 282 HH2 TRP 585 HH2 TRP 585 52.550 -3.819 -7.262 283 H LYS 586 HN LYS 586 44.575 -5.531 -3.939 284 HA LYS 586 HA LYS 586 45.019 -7.961 -5.279 285 HB2 LYS 586 HB2 LYS 586 42.515 -6.797 -4.053 286 HB3 LYS 586 HB3 LYS 586 42.578 -8.424 -4.728 287 HG2 LYS 586 HG2 LYS 586 44.390 -9.021 -3.177 288 HG3 LYS 586 HG3 LYS 586 44.383 -7.387 -2.516 289 HD2 LYS 586 HD2 LYS 586 42.034 -7.689 -1.790 290 HD3 LYS 586 HD3 LYS 586 42.049 -9.327 -2.443 291 HE2 LYS 586 HE2 LYS 586 43.847 -9.952 -0.880 292 HE3 LYS 586 HE3 LYS 586 43.872 -8.308 -0.239 293 HZ1 LYS 586 HZ1 LYS 586 41.833 -10.400 0.081 294 HZ2 LYS 586 HZ2 LYS 586 41.349 -8.771 0.122 295 HZ3 LYS 586 HZ3 LYS 586 42.490 -9.350 1.240 296 H GLY 587 HN GLY 587 43.083 -5.153 -6.241 297 HA2 GLY 587 HA2 GLY 587 42.050 -6.498 -8.615 298 HA3 GLY 587 HA3 GLY 587 41.721 -4.842 -8.127 299 H MET 588 HN MET 588 44.877 -4.768 -7.817 300 HA MET 588 HA MET 588 45.347 -3.487 -10.331 301 HB2 MET 588 HB2 MET 588 46.297 -2.838 -8.042 302 HB3 MET 588 HB3 MET 588 47.440 -4.161 -8.268 303 HG2 MET 588 HG2 MET 588 48.504 -3.119 -10.050 304 HG3 MET 588 HG3 MET 588 47.092 -2.156 -10.482 305 HE1 MET 588 HE1 MET 588 50.110 -2.768 -8.810 306 HE2 MET 588 HE2 MET 588 50.078 -1.954 -7.251 307 HE3 MET 588 HE3 MET 588 50.720 -1.117 -8.660 308 H SER 589 HN SER 589 46.985 -3.988 -11.830 309 HA SER 589 HA SER 589 46.943 -6.617 -12.794 310 HB2 SER 589 HB2 SER 589 47.310 -4.768 -14.278 311 HB3 SER 589 HB3 SER 589 48.772 -4.296 -13.417 312 HG SER 589 HG SER 589 48.919 -5.647 -15.437 313 H LYS 590 HN LYS 590 48.419 -8.259 -12.900 314 HA LYS 590 HA LYS 590 50.014 -8.818 -10.641 315 HB2 LYS 590 HB2 LYS 590 49.969 -10.045 -13.410 316 HB3 LYS 590 HB3 LYS 590 50.882 -10.710 -12.059 317 HG2 LYS 590 HG2 LYS 590 48.816 -11.006 -10.769 318 HG3 LYS 590 HG3 LYS 590 47.877 -10.270 -12.071 319 HD2 LYS 590 HD2 LYS 590 48.574 -12.069 -13.606 320 HD3 LYS 590 HD3 LYS 590 49.531 -12.806 -12.322 321 HE2 LYS 590 HE2 LYS 590 47.479 -13.134 -10.977 322 HE3 LYS 590 HE3 LYS 590 46.521 -12.398 -12.263 323 HZ1 LYS 590 HZ1 LYS 590 47.605 -14.198 -13.727 324 HZ2 LYS 590 HZ2 LYS 590 46.333 -14.645 -12.693 325 HZ3 LYS 590 HZ3 LYS 590 47.940 -14.983 -12.260 326 H GLU 591 HN GLU 591 50.853 -7.668 -13.892 327 HA GLU 591 HA GLU 591 53.648 -7.841 -13.749 328 HB2 GLU 591 HB2 GLU 591 51.880 -5.865 -15.205 329 HB3 GLU 591 HB3 GLU 591 53.624 -5.965 -15.433 330 HG2 GLU 591 HG2 GLU 591 53.427 -8.286 -16.181 331 HG3 GLU 591 HG3 GLU 591 51.694 -8.265 -15.870 332 H LYS 592 HN LYS 592 51.463 -5.292 -12.611 333 HA LYS 592 HA LYS 592 53.436 -3.366 -11.983 334 HB2 LYS 592 HB2 LYS 592 50.652 -3.854 -10.924 335 HB3 LYS 592 HB3 LYS 592 51.665 -2.549 -10.308 336 HG2 LYS 592 HG2 LYS 592 51.879 -1.614 -12.569 337 HG3 LYS 592 HG3 LYS 592 50.914 -2.941 -13.225 338 HD2 LYS 592 HD2 LYS 592 49.001 -2.251 -11.861 339 HD3 LYS 592 HD3 LYS 592 49.952 -0.954 -11.140 340 HE2 LYS 592 HE2 LYS 592 50.201 0.083 -13.373 341 HE3 LYS 592 HE3 LYS 592 49.238 -1.218 -14.079 342 HZ1 LYS 592 HZ1 LYS 592 48.386 0.891 -12.194 343 HZ2 LYS 592 HZ2 LYS 592 47.503 -0.552 -12.349 344 HZ3 LYS 592 HZ3 LYS 592 47.707 0.470 -13.691 345 H LYS 593 HN LYS 593 52.152 -6.114 -10.177 346 HA LYS 593 HA LYS 593 53.282 -5.520 -7.658 347 HB2 LYS 593 HB2 LYS 593 51.600 -7.411 -8.482 348 HB3 LYS 593 HB3 LYS 593 53.085 -8.346 -8.615 349 HG2 LYS 593 HG2 LYS 593 52.306 -6.854 -6.099 350 HG3 LYS 593 HG3 LYS 593 51.865 -8.536 -6.386 351 HD2 LYS 593 HD2 LYS 593 54.327 -9.013 -6.736 352 HD3 LYS 593 HD3 LYS 593 54.642 -7.374 -6.176 353 HE2 LYS 593 HE2 LYS 593 53.547 -7.846 -4.043 354 HE3 LYS 593 HE3 LYS 593 53.168 -9.482 -4.588 355 HZ1 LYS 593 HZ1 LYS 593 55.695 -9.609 -5.013 356 HZ2 LYS 593 HZ2 LYS 593 55.112 -9.788 -3.426 357 HZ3 LYS 593 HZ3 LYS 593 55.783 -8.309 -3.927 358 H GLU 594 HN GLU 594 54.525 -7.350 -10.408 359 HA GLU 594 HA GLU 594 56.954 -8.177 -9.280 360 HB2 GLU 594 HB2 GLU 594 56.213 -7.539 -12.140 361 HB3 GLU 594 HB3 GLU 594 57.739 -8.285 -11.666 362 HG2 GLU 594 HG2 GLU 594 56.561 -10.179 -10.683 363 HG3 GLU 594 HG3 GLU 594 55.005 -9.418 -10.998 364 H GLU 595 HN GLU 595 56.092 -5.111 -10.922 365 HA GLU 595 HA GLU 595 58.732 -4.119 -11.109 366 HB2 GLU 595 HB2 GLU 595 57.808 -2.224 -11.966 367 HB3 GLU 595 HB3 GLU 595 56.377 -3.229 -12.061 368 HG2 GLU 595 HG2 GLU 595 55.695 -2.269 -9.789 369 HG3 GLU 595 HG3 GLU 595 57.025 -1.138 -9.961 370 H TRP 596 HN TRP 596 56.294 -3.682 -8.568 371 HA TRP 596 HA TRP 596 57.869 -2.032 -6.889 372 HB2 TRP 596 HB2 TRP 596 55.570 -3.895 -6.262 373 HB3 TRP 596 HB3 TRP 596 56.331 -2.845 -5.069 374 HD1 TRP 596 HD1 TRP 596 53.826 -2.844 -7.823 375 HE1 TRP 596 HE1 TRP 596 52.834 -0.485 -8.106 376 HE3 TRP 596 HE3 TRP 596 57.080 -0.190 -4.925 377 HZ2 TRP 596 HZ2 TRP 596 53.366 2.198 -7.214 378 HZ3 TRP 596 HZ3 TRP 596 56.820 2.259 -4.660 379 HH2 TRP 596 HH2 TRP 596 54.972 3.455 -5.798 380 H ASP 597 HN ASP 597 57.482 -5.544 -7.105 381 HA ASP 597 HA ASP 597 58.999 -6.269 -4.836 382 HB2 ASP 597 HB2 ASP 597 57.483 -7.766 -6.203 383 HB3 ASP 597 HB3 ASP 597 58.758 -7.836 -7.414 384 H ARG 598 HN ARG 598 59.900 -5.748 -8.232 385 HA ARG 598 HA ARG 598 62.631 -6.463 -7.995 386 HB2 ARG 598 HB2 ARG 598 61.169 -4.680 -9.948 387 HB3 ARG 598 HB3 ARG 598 62.892 -5.029 -10.078 388 HG2 ARG 598 HG2 ARG 598 62.429 -7.425 -10.245 389 HG3 ARG 598 HG3 ARG 598 60.707 -7.132 -10.017 390 HD2 ARG 598 HD2 ARG 598 61.163 -7.404 -12.398 391 HD3 ARG 598 HD3 ARG 598 60.703 -5.733 -12.083 392 HE ARG 598 HE ARG 598 63.527 -5.997 -11.921 393 HH11 ARG 598 HH11 ARG 598 60.941 -5.949 -14.295 394 HH12 ARG 598 HH12 ARG 598 61.969 -5.367 -15.562 395 HH21 ARG 598 HH21 ARG 598 64.815 -5.253 -13.611 396 HH22 ARG 598 HH22 ARG 598 64.132 -4.980 -15.178 397 H LYS 599 HN LYS 599 60.920 -3.365 -7.564 398 HA LYS 599 HA LYS 599 63.186 -1.693 -7.324 399 HB2 LYS 599 HB2 LYS 599 60.436 -1.479 -6.067 400 HB3 LYS 599 HB3 LYS 599 61.668 -0.233 -5.913 401 HG2 LYS 599 HG2 LYS 599 61.716 0.052 -8.355 402 HG3 LYS 599 HG3 LYS 599 60.515 -1.226 -8.540 403 HD2 LYS 599 HD2 LYS 599 58.961 0.109 -7.073 404 HD3 LYS 599 HD3 LYS 599 60.143 1.414 -7.094 405 HE2 LYS 599 HE2 LYS 599 58.767 0.253 -9.539 406 HE3 LYS 599 HE3 LYS 599 58.370 1.786 -8.769 407 HZ1 LYS 599 HZ1 LYS 599 59.913 2.734 -10.006 408 HZ2 LYS 599 HZ2 LYS 599 60.372 1.240 -10.669 409 HZ3 LYS 599 HZ3 LYS 599 61.110 1.804 -9.246 410 H ALA 600 HN ALA 600 61.374 -3.580 -4.927 411 HA ALA 600 HA ALA 600 62.804 -2.727 -2.635 412 HB1 ALA 600 HB1 ALA 600 61.679 -5.482 -2.702 413 HB2 ALA 600 HB2 ALA 600 60.558 -4.152 -2.989 414 HB3 ALA 600 HB3 ALA 600 61.489 -4.212 -1.493 415 H GLU 601 HN GLU 601 63.279 -5.421 -4.884 416 HA GLU 601 HA GLU 601 65.402 -6.670 -3.448 417 HB2 GLU 601 HB2 GLU 601 64.007 -7.788 -5.196 418 HB3 GLU 601 HB3 GLU 601 64.809 -6.800 -6.416 419 HG2 GLU 601 HG2 GLU 601 66.987 -7.755 -5.782 420 HG3 GLU 601 HG3 GLU 601 66.216 -8.708 -4.519 421 H ASP 602 HN ASP 602 65.296 -4.207 -6.012 422 HA ASP 602 HA ASP 602 68.086 -4.096 -6.510 423 HB2 ASP 602 HB2 ASP 602 65.797 -2.219 -6.977 424 HB3 ASP 602 HB3 ASP 602 67.442 -1.625 -7.170 425 H ALA 603 HN ALA 603 66.002 -2.469 -4.165 426 HA ALA 603 HA ALA 603 67.912 -0.650 -3.143 427 HB1 ALA 603 HB1 ALA 603 65.704 -1.921 -1.523 428 HB2 ALA 603 HB2 ALA 603 65.389 -0.670 -2.727 429 HB3 ALA 603 HB3 ALA 603 66.412 -0.317 -1.334 430 H ARG 604 HN ARG 604 67.160 -4.030 -2.391 431 HA ARG 604 HA ARG 604 68.746 -4.297 -0.065 432 HB2 ARG 604 HB2 ARG 604 67.923 -6.314 -2.168 433 HB3 ARG 604 HB3 ARG 604 68.823 -6.751 -0.720 434 HG2 ARG 604 HG2 ARG 604 67.015 -5.863 0.695 435 HG3 ARG 604 HG3 ARG 604 66.114 -5.380 -0.745 436 HD2 ARG 604 HD2 ARG 604 66.004 -7.728 -1.481 437 HD3 ARG 604 HD3 ARG 604 66.932 -8.224 -0.070 438 HE ARG 604 HE ARG 604 64.545 -6.783 0.649 439 HH11 ARG 604 HH11 ARG 604 65.736 -9.940 -0.331 440 HH12 ARG 604 HH12 ARG 604 64.443 -10.792 0.445 441 HH21 ARG 604 HH21 ARG 604 62.894 -7.958 1.659 442 HH22 ARG 604 HH22 ARG 604 62.862 -9.686 1.555 443 H ARG 605 HN ARG 605 69.504 -4.684 -3.528 444 HA ARG 605 HA ARG 605 72.187 -5.569 -3.202 445 HB2 ARG 605 HB2 ARG 605 70.829 -4.099 -5.478 446 HB3 ARG 605 HB3 ARG 605 72.500 -4.649 -5.549 447 HG2 ARG 605 HG2 ARG 605 71.719 -6.978 -5.109 448 HG3 ARG 605 HG3 ARG 605 70.051 -6.396 -5.153 449 HD2 ARG 605 HD2 ARG 605 70.390 -5.584 -7.461 450 HD3 ARG 605 HD3 ARG 605 72.056 -6.144 -7.417 451 HE ARG 605 HE ARG 605 71.296 -8.363 -7.601 452 HH11 ARG 605 HH11 ARG 605 68.578 -6.141 -7.392 453 HH12 ARG 605 HH12 ARG 605 67.432 -7.335 -7.894 454 HH21 ARG 605 HH21 ARG 605 69.752 -9.868 -8.227 455 HH22 ARG 605 HH22 ARG 605 68.086 -9.415 -8.356 456 H ASP 606 HN ASP 606 70.722 -2.356 -3.473 457 HA ASP 606 HA ASP 606 73.109 -0.843 -3.620 458 HB2 ASP 606 HB2 ASP 606 70.261 -0.255 -2.904 459 HB3 ASP 606 HB3 ASP 606 71.492 0.961 -2.579 460 H TYR 607 HN TYR 607 71.207 -2.015 -0.864 461 HA TYR 607 HA TYR 607 72.495 -0.551 1.184 462 HB2 TYR 607 HB2 TYR 607 70.383 -2.053 1.314 463 HB3 TYR 607 HB3 TYR 607 71.514 -3.386 1.526 464 HD1 TYR 607 HD1 TYR 607 73.081 -3.398 3.525 465 HD2 TYR 607 HD2 TYR 607 69.944 -0.493 3.081 466 HE1 TYR 607 HE1 TYR 607 73.225 -2.863 5.943 467 HE2 TYR 607 HE2 TYR 607 70.099 0.041 5.497 468 HH TYR 607 HH TYR 607 72.664 -1.171 7.497 469 H GLU 608 HN GLU 608 73.183 -3.715 -0.284 470 HA GLU 608 HA GLU 608 75.388 -4.443 1.306 471 HB2 GLU 608 HB2 GLU 608 74.741 -5.089 -1.583 472 HB3 GLU 608 HB3 GLU 608 76.041 -5.852 -0.669 473 HG2 GLU 608 HG2 GLU 608 74.418 -6.696 0.969 474 HG3 GLU 608 HG3 GLU 608 73.109 -5.896 0.100 475 H LYS 609 HN LYS 609 75.174 -2.560 -1.703 476 HA LYS 609 HA LYS 609 77.950 -2.237 -2.140 477 HB2 LYS 609 HB2 LYS 609 75.604 -0.496 -2.940 478 HB3 LYS 609 HB3 LYS 609 77.252 -0.256 -3.518 479 HG2 LYS 609 HG2 LYS 609 77.252 -2.523 -4.489 480 HG3 LYS 609 HG3 LYS 609 75.608 -2.781 -3.900 481 HD2 LYS 609 HD2 LYS 609 74.868 -0.797 -5.246 482 HD3 LYS 609 HD3 LYS 609 76.497 -0.688 -5.910 483 HE2 LYS 609 HE2 LYS 609 74.730 -3.144 -6.138 484 HE3 LYS 609 HE3 LYS 609 74.898 -1.922 -7.396 485 HZ1 LYS 609 HZ1 LYS 609 76.509 -4.117 -6.997 486 HZ2 LYS 609 HZ2 LYS 609 77.448 -2.795 -6.490 487 HZ3 LYS 609 HZ3 LYS 609 76.792 -2.825 -8.057 488 H ALA 610 HN ALA 610 75.578 -0.224 -0.406 489 HA ALA 610 HA ALA 610 77.398 1.861 0.287 490 HB1 ALA 610 HB1 ALA 610 75.624 2.337 2.084 491 HB2 ALA 610 HB2 ALA 610 74.714 1.009 1.363 492 HB3 ALA 610 HB3 ALA 610 75.110 2.433 0.400 493 H MET 611 HN MET 611 76.326 -1.083 1.924 494 HA MET 611 HA MET 611 77.632 -0.640 4.392 495 HB2 MET 611 HB2 MET 611 76.665 -3.129 2.978 496 HB3 MET 611 HB3 MET 611 77.444 -3.199 4.557 497 HG2 MET 611 HG2 MET 611 74.952 -1.597 3.898 498 HG3 MET 611 HG3 MET 611 74.977 -3.133 4.754 499 HE1 MET 611 HE1 MET 611 76.523 -2.460 8.107 500 HE2 MET 611 HE2 MET 611 77.367 -3.060 6.679 501 HE3 MET 611 HE3 MET 611 75.707 -3.566 6.991 502 H LYS 612 HN LYS 612 78.632 -2.107 1.349 503 HA LYS 612 HA LYS 612 81.057 -3.263 2.214 504 HB2 LYS 612 HB2 LYS 612 79.933 -3.768 0.044 505 HB3 LYS 612 HB3 LYS 612 80.382 -2.164 -0.534 506 HG2 LYS 612 HG2 LYS 612 82.767 -2.709 -0.257 507 HG3 LYS 612 HG3 LYS 612 82.340 -4.299 0.376 508 HD2 LYS 612 HD2 LYS 612 81.239 -4.859 -1.768 509 HD3 LYS 612 HD3 LYS 612 81.684 -3.274 -2.404 510 HE2 LYS 612 HE2 LYS 612 84.067 -3.805 -2.122 511 HE3 LYS 612 HE3 LYS 612 83.648 -5.375 -1.435 512 HZ1 LYS 612 HZ1 LYS 612 82.345 -5.655 -3.632 513 HZ2 LYS 612 HZ2 LYS 612 84.029 -5.881 -3.631 514 HZ3 LYS 612 HZ3 LYS 612 83.365 -4.427 -4.208 515 H GLU 613 HN GLU 613 80.296 0.005 0.994 516 HA GLU 613 HA GLU 613 83.079 0.853 1.206 517 HB2 GLU 613 HB2 GLU 613 80.552 2.382 0.546 518 HB3 GLU 613 HB3 GLU 613 82.154 3.112 0.623 519 HG2 GLU 613 HG2 GLU 613 82.959 1.631 -1.144 520 HG3 GLU 613 HG3 GLU 613 81.411 0.792 -1.184 521 H TYR 614 HN TYR 614 80.138 1.005 3.096 522 HA TYR 614 HA TYR 614 80.794 3.084 4.884 523 HB2 TYR 614 HB2 TYR 614 78.527 2.174 4.727 524 HB3 TYR 614 HB3 TYR 614 79.087 0.601 5.280 525 HD1 TYR 614 HD1 TYR 614 78.816 4.192 6.322 526 HD2 TYR 614 HD2 TYR 614 79.158 0.105 7.594 527 HE1 TYR 614 HE1 TYR 614 78.437 4.892 8.673 528 HE2 TYR 614 HE2 TYR 614 78.777 0.799 9.940 529 HH TYR 614 HH TYR 614 79.208 3.544 11.148 530 H GLU 615 HN GLU 615 81.377 -0.424 5.022 531 HA GLU 615 HA GLU 615 82.829 -1.698 6.265 532 HB2 GLU 615 HB2 GLU 615 84.488 -0.203 5.140 533 HB3 GLU 615 HB3 GLU 615 84.379 0.899 6.511 534 HG2 GLU 615 HG2 GLU 615 85.144 -0.897 8.018 535 HG3 GLU 615 HG3 GLU 615 85.260 -1.998 6.645 536 H GLY 616 HN GLY 616 81.344 -2.059 7.947 537 HA2 GLY 616 HA2 GLY 616 82.190 -1.269 10.536 538 HA3 GLY 616 HA3 GLY 616 80.755 -0.358 10.079 539 H GLY 617 HN GLY 617 80.460 -1.863 12.216 540 HA2 GLY 617 HA2 GLY 617 79.426 -4.506 11.520 541 HA3 GLY 617 HA3 GLY 617 79.569 -3.829 13.140 Start of MODEL 2 1 H MET 551 HT1 MET 551 55.646 -10.163 0.820 2 HA MET 551 HA MET 551 54.714 -8.492 -0.696 3 HB2 MET 551 HB2 MET 551 54.207 -8.161 2.277 4 HB3 MET 551 HB3 MET 551 53.206 -7.411 1.040 5 HG2 MET 551 HG2 MET 551 52.685 -9.636 0.105 6 HG3 MET 551 HG3 MET 551 53.686 -10.393 1.346 7 HE1 MET 551 HE1 MET 551 50.415 -11.454 2.889 8 HE2 MET 551 HE2 MET 551 51.960 -11.879 2.155 9 HE3 MET 551 HE3 MET 551 50.624 -11.346 1.135 10 H SER 552 HN SER 552 57.429 -7.578 -0.371 11 HA SER 552 HA SER 552 57.595 -4.994 0.765 12 HB2 SER 552 HB2 SER 552 59.623 -4.742 -0.623 13 HB3 SER 552 HB3 SER 552 59.591 -6.283 0.230 14 HG SER 552 HG SER 552 59.791 -7.121 -1.676 15 H ALA 553 HN ALA 553 56.546 -6.138 -2.400 16 HA ALA 553 HA ALA 553 56.519 -3.672 -3.773 17 HB1 ALA 553 HB1 ALA 553 56.223 -5.597 -5.110 18 HB2 ALA 553 HB2 ALA 553 54.630 -4.840 -5.107 19 HB3 ALA 553 HB3 ALA 553 54.943 -6.233 -4.074 20 H TYR 554 HN TYR 554 54.184 -5.279 -1.702 21 HA TYR 554 HA TYR 554 51.993 -3.534 -2.034 22 HB2 TYR 554 HB2 TYR 554 51.796 -5.766 -1.077 23 HB3 TYR 554 HB3 TYR 554 52.836 -5.318 0.260 24 HD1 TYR 554 HD1 TYR 554 49.493 -4.862 -1.254 25 HD2 TYR 554 HD2 TYR 554 52.007 -4.030 2.133 26 HE1 TYR 554 HE1 TYR 554 47.504 -4.174 0.055 27 HE2 TYR 554 HE2 TYR 554 50.018 -3.335 3.441 28 HH TYR 554 HH TYR 554 47.684 -2.465 2.931 29 H MET 555 HN MET 555 54.695 -3.573 0.305 30 HA MET 555 HA MET 555 53.830 -1.396 1.886 31 HB2 MET 555 HB2 MET 555 56.526 -2.635 1.370 32 HB3 MET 555 HB3 MET 555 56.363 -1.200 2.376 33 HG2 MET 555 HG2 MET 555 54.883 -2.361 3.902 34 HG3 MET 555 HG3 MET 555 54.819 -3.763 2.842 35 HE1 MET 555 HE1 MET 555 58.811 -2.405 4.805 36 HE2 MET 555 HE2 MET 555 57.360 -1.409 4.774 37 HE3 MET 555 HE3 MET 555 58.202 -1.770 3.267 38 H LEU 556 HN LEU 556 56.060 -1.471 -0.922 39 HA LEU 556 HA LEU 556 56.618 1.321 -0.927 40 HB2 LEU 556 HB2 LEU 556 56.709 -0.651 -3.229 41 HB3 LEU 556 HB3 LEU 556 57.415 0.958 -3.240 42 HG LEU 556 HG LEU 556 58.215 -1.310 -1.382 43 HD11 LEU 556 HD11 LEU 556 59.517 -0.078 -3.825 44 HD12 LEU 556 HD12 LEU 556 58.956 -1.742 -3.644 45 HD13 LEU 556 HD13 LEU 556 60.350 -1.173 -2.722 46 HD21 LEU 556 HD21 LEU 556 59.181 1.556 -1.653 47 HD22 LEU 556 HD22 LEU 556 60.209 0.296 -0.969 48 HD23 LEU 556 HD23 LEU 556 58.683 0.708 -0.186 49 H TRP 557 HN TRP 557 54.267 -0.662 -2.641 50 HA TRP 557 HA TRP 557 53.103 1.325 -4.282 51 HB2 TRP 557 HB2 TRP 557 52.856 -1.023 -4.756 52 HB3 TRP 557 HB3 TRP 557 52.134 -1.319 -3.190 53 HD1 TRP 557 HD1 TRP 557 51.281 -0.555 -6.724 54 HE1 TRP 557 HE1 TRP 557 48.730 -0.257 -6.965 55 HE3 TRP 557 HE3 TRP 557 49.948 -0.138 -1.799 56 HZ2 TRP 557 HZ2 TRP 557 46.428 0.084 -5.292 57 HZ3 TRP 557 HZ3 TRP 557 47.592 0.185 -1.175 58 HH2 TRP 557 HH2 TRP 557 45.822 0.300 -2.900 59 H LEU 558 HN LEU 558 52.330 0.149 -1.035 60 HA LEU 558 HA LEU 558 49.914 1.532 -0.617 61 HB2 LEU 558 HB2 LEU 558 51.117 -0.318 0.802 62 HB3 LEU 558 HB3 LEU 558 51.864 1.041 1.617 63 HG LEU 558 HG LEU 558 48.879 0.535 1.351 64 HD11 LEU 558 HD11 LEU 558 50.697 0.386 3.773 65 HD12 LEU 558 HD12 LEU 558 50.147 -1.016 2.856 66 HD13 LEU 558 HD13 LEU 558 48.980 -0.014 3.722 67 HD21 LEU 558 HD21 LEU 558 50.480 2.792 2.565 68 HD22 LEU 558 HD22 LEU 558 48.911 2.363 3.249 69 HD23 LEU 558 HD23 LEU 558 49.028 2.877 1.569 70 H ASN 559 HN ASN 559 53.306 2.493 -0.058 71 HA ASN 559 HA ASN 559 52.792 4.891 1.322 72 HB2 ASN 559 HB2 ASN 559 55.068 3.971 -0.419 73 HB3 ASN 559 HB3 ASN 559 55.051 5.587 0.279 74 HD21 ASN 559 HD21 ASN 559 57.011 3.576 0.967 75 HD22 ASN 559 HD22 ASN 559 56.800 3.187 2.602 76 H ALA 560 HN ALA 560 53.207 4.283 -2.156 77 HA ALA 560 HA ALA 560 52.810 7.015 -2.916 78 HB1 ALA 560 HB1 ALA 560 52.578 6.032 -5.220 79 HB2 ALA 560 HB2 ALA 560 52.744 4.435 -4.487 80 HB3 ALA 560 HB3 ALA 560 54.068 5.595 -4.384 81 H SER 561 HN SER 561 50.766 4.155 -2.788 82 HA SER 561 HA SER 561 48.462 5.370 -3.954 83 HB2 SER 561 HB2 SER 561 49.047 2.877 -3.852 84 HB3 SER 561 HB3 SER 561 48.403 2.920 -2.215 85 HG SER 561 HG SER 561 47.110 3.476 -4.665 86 H ARG 562 HN ARG 562 49.690 5.248 -0.696 87 HA ARG 562 HA ARG 562 47.385 5.509 0.838 88 HB2 ARG 562 HB2 ARG 562 49.654 5.219 1.767 89 HB3 ARG 562 HB3 ARG 562 50.064 6.860 1.294 90 HG2 ARG 562 HG2 ARG 562 48.336 7.735 2.796 91 HG3 ARG 562 HG3 ARG 562 47.856 6.096 3.226 92 HD2 ARG 562 HD2 ARG 562 49.326 6.967 4.963 93 HD3 ARG 562 HD3 ARG 562 50.155 5.685 4.092 94 HE ARG 562 HE ARG 562 50.774 8.186 2.907 95 HH11 ARG 562 HH11 ARG 562 51.432 6.344 5.817 96 HH12 ARG 562 HH12 ARG 562 52.980 7.082 6.070 97 HH21 ARG 562 HH21 ARG 562 52.805 9.105 3.272 98 HH22 ARG 562 HH22 ARG 562 53.745 8.624 4.646 99 H GLU 563 HN GLU 563 49.239 8.086 -0.796 100 HA GLU 563 HA GLU 563 47.620 10.237 0.138 101 HB2 GLU 563 HB2 GLU 563 49.936 10.485 -0.741 102 HB3 GLU 563 HB3 GLU 563 49.334 10.104 -2.349 103 HG2 GLU 563 HG2 GLU 563 47.874 12.073 -2.297 104 HG3 GLU 563 HG3 GLU 563 48.383 12.433 -0.652 105 H LYS 564 HN LYS 564 47.531 8.176 -2.737 106 HA LYS 564 HA LYS 564 45.521 9.572 -4.169 107 HB2 LYS 564 HB2 LYS 564 46.330 6.657 -4.200 108 HB3 LYS 564 HB3 LYS 564 45.165 7.356 -5.317 109 HG2 LYS 564 HG2 LYS 564 46.884 8.939 -6.118 110 HG3 LYS 564 HG3 LYS 564 48.051 8.237 -5.001 111 HD2 LYS 564 HD2 LYS 564 47.787 6.041 -6.125 112 HD3 LYS 564 HD3 LYS 564 46.649 6.766 -7.256 113 HE2 LYS 564 HE2 LYS 564 48.408 8.312 -8.041 114 HE3 LYS 564 HE3 LYS 564 49.547 7.595 -6.904 115 HZ1 LYS 564 HZ1 LYS 564 48.132 5.947 -8.911 116 HZ2 LYS 564 HZ2 LYS 564 49.561 5.591 -8.062 117 HZ3 LYS 564 HZ3 LYS 564 49.570 6.760 -9.298 118 H ILE 565 HN ILE 565 45.346 6.842 -1.886 119 HA ILE 565 HA ILE 565 42.543 6.464 -2.042 120 HB ILE 565 HB ILE 565 44.399 5.759 0.260 121 HG12 ILE 565 HG12 ILE 565 43.440 3.942 -1.970 122 HG13 ILE 565 HG13 ILE 565 44.939 4.842 -2.098 123 HG21 ILE 565 HG21 ILE 565 41.720 4.566 -0.546 124 HG22 ILE 565 HG22 ILE 565 41.920 5.742 0.751 125 HG23 ILE 565 HG23 ILE 565 42.672 4.152 0.880 126 HD11 ILE 565 HD11 ILE 565 44.226 2.661 -0.142 127 HD12 ILE 565 HD12 ILE 565 45.531 3.795 0.204 128 HD13 ILE 565 HD13 ILE 565 45.621 2.754 -1.218 129 H LYS 566 HN LYS 566 44.560 8.324 0.238 130 HA LYS 566 HA LYS 566 42.455 9.193 1.907 131 HB2 LYS 566 HB2 LYS 566 45.155 10.416 1.309 132 HB3 LYS 566 HB3 LYS 566 44.043 11.071 2.503 133 HG2 LYS 566 HG2 LYS 566 44.081 8.958 3.734 134 HG3 LYS 566 HG3 LYS 566 45.152 8.252 2.526 135 HD2 LYS 566 HD2 LYS 566 46.871 9.935 3.050 136 HD3 LYS 566 HD3 LYS 566 45.797 10.684 4.225 137 HE2 LYS 566 HE2 LYS 566 45.804 8.636 5.570 138 HE3 LYS 566 HE3 LYS 566 46.815 7.830 4.378 139 HZ1 LYS 566 HZ1 LYS 566 48.469 8.559 5.680 140 HZ2 LYS 566 HZ2 LYS 566 47.518 9.761 6.413 141 HZ3 LYS 566 HZ3 LYS 566 48.236 10.045 4.898 142 H SER 567 HN SER 567 43.888 10.636 -1.014 143 HA SER 567 HA SER 567 42.370 13.039 -0.952 144 HB2 SER 567 HB2 SER 567 44.325 13.076 -2.278 145 HB3 SER 567 HB3 SER 567 43.884 11.597 -3.123 146 HG SER 567 HG SER 567 43.491 13.554 -4.324 147 H ASP 568 HN ASP 568 41.862 9.901 -2.519 148 HA ASP 568 HA ASP 568 39.428 10.718 -3.844 149 HB2 ASP 568 HB2 ASP 568 40.758 8.042 -3.447 150 HB3 ASP 568 HB3 ASP 568 39.233 8.237 -4.302 151 H HIS 569 HN HIS 569 40.238 9.428 -0.724 152 HA HIS 569 HA HIS 569 37.354 9.146 -0.115 153 HB2 HIS 569 HB2 HIS 569 39.520 7.440 1.143 154 HB3 HIS 569 HB3 HIS 569 37.781 7.280 1.349 155 HD2 HIS 569 HD2 HIS 569 40.181 7.081 -1.847 156 HE1 HIS 569 HE1 HIS 569 37.193 4.110 -2.134 157 HE2 HIS 569 HE2 HIS 569 39.246 5.091 -3.254 158 HA PRO 570 HA PRO 570 39.360 12.248 2.712 159 HB2 PRO 570 HB2 PRO 570 37.279 14.000 2.790 160 HB3 PRO 570 HB3 PRO 570 38.507 14.020 1.508 161 HG2 PRO 570 HG2 PRO 570 35.763 12.847 1.481 162 HG3 PRO 570 HG3 PRO 570 36.595 13.793 0.234 163 HD2 PRO 570 HD2 PRO 570 36.409 11.082 0.111 164 HD3 PRO 570 HD3 PRO 570 37.812 11.968 -0.532 165 H GLY 571 HN GLY 571 39.098 12.375 4.911 166 HA2 GLY 571 HA2 GLY 571 38.155 12.115 7.004 167 HA3 GLY 571 HA3 GLY 571 36.596 11.881 6.229 168 H ILE 572 HN ILE 572 39.070 9.791 5.055 169 HA ILE 572 HA ILE 572 37.760 7.542 6.361 170 HB ILE 572 HB ILE 572 38.246 7.417 3.930 171 HG12 ILE 572 HG12 ILE 572 39.905 5.394 5.444 172 HG13 ILE 572 HG13 ILE 572 38.147 5.414 5.532 173 HG21 ILE 572 HG21 ILE 572 40.485 7.251 3.086 174 HG22 ILE 572 HG22 ILE 572 41.161 7.182 4.715 175 HG23 ILE 572 HG23 ILE 572 40.457 8.682 4.121 176 HD11 ILE 572 HD11 ILE 572 37.964 5.055 3.145 177 HD12 ILE 572 HD12 ILE 572 39.057 3.836 3.802 178 HD13 ILE 572 HD13 ILE 572 39.707 5.232 2.941 179 H SER 573 HN SER 573 38.654 6.228 7.847 180 HA SER 573 HA SER 573 40.738 7.271 9.487 181 HB2 SER 573 HB2 SER 573 39.128 4.732 9.495 182 HB3 SER 573 HB3 SER 573 40.468 4.959 10.612 183 HG SER 573 HG SER 573 38.014 6.274 10.437 184 H ILE 574 HN ILE 574 42.683 6.147 10.099 185 HA ILE 574 HA ILE 574 44.337 5.466 7.914 186 HB ILE 574 HB ILE 574 44.794 4.880 10.859 187 HG12 ILE 574 HG12 ILE 574 45.680 7.295 9.242 188 HG13 ILE 574 HG13 ILE 574 44.253 7.291 10.271 189 HG21 ILE 574 HG21 ILE 574 47.184 4.909 10.248 190 HG22 ILE 574 HG22 ILE 574 46.759 5.201 8.561 191 HG23 ILE 574 HG23 ILE 574 46.328 3.672 9.327 192 HD11 ILE 574 HD11 ILE 574 46.220 8.248 11.442 193 HD12 ILE 574 HD12 ILE 574 47.081 6.725 11.215 194 HD13 ILE 574 HD13 ILE 574 45.644 6.780 12.234 195 H THR 575 HN THR 575 42.745 3.486 10.376 196 HA THR 575 HA THR 575 43.768 0.982 9.584 197 HB THR 575 HB THR 575 41.051 1.499 10.804 198 HG1 THR 575 HG3 THR 575 42.667 2.607 11.942 199 HG21 THR 575 HG21 THR 575 43.014 -0.806 10.928 200 HG22 THR 575 HG22 THR 575 41.436 -0.810 10.140 201 HG23 THR 575 HG23 THR 575 41.545 -0.693 11.897 202 H ASP 576 HN ASP 576 40.840 2.752 8.634 203 HA ASP 576 HA ASP 576 39.764 0.760 6.927 204 HB2 ASP 576 HB2 ASP 576 38.566 2.798 7.856 205 HB3 ASP 576 HB3 ASP 576 39.389 3.735 6.619 206 H LEU 577 HN LEU 577 42.115 3.344 6.426 207 HA LEU 577 HA LEU 577 42.223 3.359 3.613 208 HB2 LEU 577 HB2 LEU 577 44.262 3.999 5.728 209 HB3 LEU 577 HB3 LEU 577 44.687 4.041 4.028 210 HG LEU 577 HG LEU 577 42.415 5.622 5.265 211 HD11 LEU 577 HD11 LEU 577 45.104 6.630 4.316 212 HD12 LEU 577 HD12 LEU 577 44.786 6.223 6.003 213 HD13 LEU 577 HD13 LEU 577 43.880 7.519 5.221 214 HD21 LEU 577 HD21 LEU 577 42.004 5.309 2.904 215 HD22 LEU 577 HD22 LEU 577 43.702 5.588 2.515 216 HD23 LEU 577 HD23 LEU 577 42.693 6.921 3.076 217 H SER 578 HN SER 578 43.881 1.347 6.013 218 HA SER 578 HA SER 578 45.675 0.028 4.319 219 HB2 SER 578 HB2 SER 578 45.772 -0.131 6.770 220 HB3 SER 578 HB3 SER 578 44.269 -1.043 6.779 221 HG SER 578 HG SER 578 45.588 -2.680 6.592 222 H LYS 579 HN LYS 579 42.308 -0.751 5.167 223 HA LYS 579 HA LYS 579 42.128 -3.171 3.686 224 HB2 LYS 579 HB2 LYS 579 39.999 -1.173 4.491 225 HB3 LYS 579 HB3 LYS 579 39.655 -2.722 3.731 226 HG2 LYS 579 HG2 LYS 579 40.735 -3.898 5.600 227 HG3 LYS 579 HG3 LYS 579 41.122 -2.355 6.359 228 HD2 LYS 579 HD2 LYS 579 38.730 -1.823 6.536 229 HD3 LYS 579 HD3 LYS 579 38.321 -3.341 5.742 230 HE2 LYS 579 HE2 LYS 579 39.379 -4.593 7.586 231 HE3 LYS 579 HE3 LYS 579 39.797 -3.076 8.379 232 HZ1 LYS 579 HZ1 LYS 579 37.227 -4.419 8.168 233 HZ2 LYS 579 HZ2 LYS 579 37.188 -2.727 8.006 234 HZ3 LYS 579 HZ3 LYS 579 37.839 -3.436 9.407 235 H LYS 580 HN LYS 580 41.523 0.230 2.887 236 HA LYS 580 HA LYS 580 40.436 -0.098 0.305 237 HB2 LYS 580 HB2 LYS 580 42.105 2.158 1.449 238 HB3 LYS 580 HB3 LYS 580 41.234 2.238 -0.076 239 HG2 LYS 580 HG2 LYS 580 39.874 1.609 2.549 240 HG3 LYS 580 HG3 LYS 580 40.044 3.246 1.932 241 HD2 LYS 580 HD2 LYS 580 38.840 2.590 -0.121 242 HD3 LYS 580 HD3 LYS 580 38.646 0.959 0.520 243 HE2 LYS 580 HE2 LYS 580 37.396 1.877 2.448 244 HE3 LYS 580 HE3 LYS 580 37.570 3.498 1.779 245 HZ1 LYS 580 HZ1 LYS 580 36.151 1.209 0.530 246 HZ2 LYS 580 HZ2 LYS 580 36.408 2.712 -0.222 247 HZ3 LYS 580 HZ3 LYS 580 35.444 2.610 1.172 248 H ALA 581 HN ALA 581 43.760 0.298 1.432 249 HA ALA 581 HA ALA 581 45.029 0.404 -1.079 250 HB1 ALA 581 HB1 ALA 581 45.826 -0.058 1.739 251 HB2 ALA 581 HB2 ALA 581 46.525 1.019 0.531 252 HB3 ALA 581 HB3 ALA 581 46.930 -0.696 0.520 253 H GLY 582 HN GLY 582 44.180 -2.286 1.053 254 HA2 GLY 582 HA2 GLY 582 45.439 -4.342 -0.447 255 HA3 GLY 582 HA3 GLY 582 44.168 -4.564 0.751 256 H GLU 583 HN GLU 583 42.131 -3.023 -0.431 257 HA GLU 583 HA GLU 583 41.004 -4.879 -2.244 258 HB2 GLU 583 HB2 GLU 583 40.235 -2.035 -1.581 259 HB3 GLU 583 HB3 GLU 583 39.291 -3.068 -2.647 260 HG2 GLU 583 HG2 GLU 583 39.998 -3.770 0.217 261 HG3 GLU 583 HG3 GLU 583 38.470 -3.052 -0.272 262 H ILE 584 HN ILE 584 42.598 -1.732 -2.799 263 HA ILE 584 HA ILE 584 42.039 -1.612 -5.573 264 HB ILE 584 HB ILE 584 44.277 -0.333 -3.957 265 HG12 ILE 584 HG12 ILE 584 41.711 0.833 -5.096 266 HG13 ILE 584 HG13 ILE 584 41.845 0.228 -3.450 267 HG21 ILE 584 HG21 ILE 584 44.497 1.198 -5.924 268 HG22 ILE 584 HG22 ILE 584 43.330 0.212 -6.805 269 HG23 ILE 584 HG23 ILE 584 44.894 -0.465 -6.358 270 HD11 ILE 584 HD11 ILE 584 43.224 2.611 -4.690 271 HD12 ILE 584 HD12 ILE 584 43.863 1.849 -3.234 272 HD13 ILE 584 HD13 ILE 584 42.242 2.549 -3.225 273 H TRP 585 HN TRP 585 44.813 -2.908 -3.773 274 HA TRP 585 HA TRP 585 46.437 -3.653 -5.934 275 HB2 TRP 585 HB2 TRP 585 46.319 -4.173 -3.079 276 HB3 TRP 585 HB3 TRP 585 46.734 -5.655 -3.929 277 HD1 TRP 585 HD1 TRP 585 48.472 -3.211 -2.250 278 HE1 TRP 585 HE1 TRP 585 50.783 -2.655 -3.293 279 HE3 TRP 585 HE3 TRP 585 47.809 -5.211 -6.863 280 HZ2 TRP 585 HZ2 TRP 585 52.158 -3.024 -5.829 281 HZ3 TRP 585 HZ3 TRP 585 49.598 -5.105 -8.571 282 HH2 TRP 585 HH2 TRP 585 51.756 -4.010 -8.050 283 H LYS 586 HN LYS 586 43.889 -5.413 -4.271 284 HA LYS 586 HA LYS 586 44.162 -7.893 -5.544 285 HB2 LYS 586 HB2 LYS 586 41.744 -6.520 -4.370 286 HB3 LYS 586 HB3 LYS 586 41.677 -8.154 -5.017 287 HG2 LYS 586 HG2 LYS 586 43.419 -8.866 -3.429 288 HG3 LYS 586 HG3 LYS 586 43.527 -7.231 -2.797 289 HD2 LYS 586 HD2 LYS 586 41.151 -7.346 -2.104 290 HD3 LYS 586 HD3 LYS 586 41.056 -8.989 -2.726 291 HE2 LYS 586 HE2 LYS 586 42.796 -9.699 -1.121 292 HE3 LYS 586 HE3 LYS 586 42.897 -8.053 -0.502 293 HZ1 LYS 586 HZ1 LYS 586 40.480 -9.783 -0.441 294 HZ2 LYS 586 HZ2 LYS 586 40.573 -8.195 0.155 295 HZ3 LYS 586 HZ3 LYS 586 41.478 -9.435 0.885 296 H GLY 587 HN GLY 587 42.408 -4.992 -6.599 297 HA2 GLY 587 HA2 GLY 587 41.283 -6.315 -8.929 298 HA3 GLY 587 HA3 GLY 587 41.148 -4.608 -8.531 299 H MET 588 HN MET 588 44.130 -4.458 -8.180 300 HA MET 588 HA MET 588 44.784 -3.735 -10.879 301 HB2 MET 588 HB2 MET 588 45.477 -2.447 -8.845 302 HB3 MET 588 HB3 MET 588 46.599 -3.748 -8.463 303 HG2 MET 588 HG2 MET 588 47.890 -3.351 -10.396 304 HG3 MET 588 HG3 MET 588 46.619 -2.410 -11.166 305 HE1 MET 588 HE1 MET 588 50.038 -1.063 -8.700 306 HE2 MET 588 HE2 MET 588 49.631 -2.647 -9.355 307 HE3 MET 588 HE3 MET 588 49.022 -2.172 -7.771 308 H SER 589 HN SER 589 46.586 -4.470 -12.077 309 HA SER 589 HA SER 589 46.729 -7.253 -12.378 310 HB2 SER 589 HB2 SER 589 48.115 -6.820 -14.191 311 HB3 SER 589 HB3 SER 589 47.252 -5.297 -14.023 312 HG SER 589 HG SER 589 49.875 -5.964 -13.207 313 H LYS 590 HN LYS 590 48.241 -8.778 -11.948 314 HA LYS 590 HA LYS 590 49.706 -8.644 -9.526 315 HB2 LYS 590 HB2 LYS 590 49.756 -10.623 -11.807 316 HB3 LYS 590 HB3 LYS 590 50.628 -10.852 -10.297 317 HG2 LYS 590 HG2 LYS 590 48.519 -10.779 -9.041 318 HG3 LYS 590 HG3 LYS 590 47.624 -10.483 -10.532 319 HD2 LYS 590 HD2 LYS 590 48.372 -12.634 -11.434 320 HD3 LYS 590 HD3 LYS 590 49.332 -12.930 -9.990 321 HE2 LYS 590 HE2 LYS 590 47.244 -14.174 -9.814 322 HE3 LYS 590 HE3 LYS 590 47.225 -12.871 -8.631 323 HZ1 LYS 590 HZ1 LYS 590 45.872 -12.912 -11.273 324 HZ2 LYS 590 HZ2 LYS 590 45.969 -11.538 -10.278 325 HZ3 LYS 590 HZ3 LYS 590 45.134 -12.918 -9.744 326 H GLU 591 HN GLU 591 50.664 -8.420 -12.917 327 HA GLU 591 HA GLU 591 53.444 -8.582 -12.710 328 HB2 GLU 591 HB2 GLU 591 52.159 -8.584 -14.832 329 HB3 GLU 591 HB3 GLU 591 51.823 -6.873 -14.616 330 HG2 GLU 591 HG2 GLU 591 53.684 -7.046 -16.135 331 HG3 GLU 591 HG3 GLU 591 54.311 -6.458 -14.604 332 H LYS 592 HN LYS 592 51.309 -5.824 -12.114 333 HA LYS 592 HA LYS 592 53.294 -3.810 -11.994 334 HB2 LYS 592 HB2 LYS 592 50.532 -4.079 -10.831 335 HB3 LYS 592 HB3 LYS 592 51.550 -2.708 -10.405 336 HG2 LYS 592 HG2 LYS 592 51.762 -2.091 -12.762 337 HG3 LYS 592 HG3 LYS 592 50.828 -3.508 -13.240 338 HD2 LYS 592 HD2 LYS 592 48.879 -2.680 -12.085 339 HD3 LYS 592 HD3 LYS 592 49.783 -1.329 -11.415 340 HE2 LYS 592 HE2 LYS 592 50.136 -0.455 -13.703 341 HE3 LYS 592 HE3 LYS 592 49.220 -1.811 -14.357 342 HZ1 LYS 592 HZ1 LYS 592 47.785 0.081 -14.144 343 HZ2 LYS 592 HZ2 LYS 592 48.210 0.289 -12.511 344 HZ3 LYS 592 HZ3 LYS 592 47.320 -1.075 -12.994 345 H LYS 593 HN LYS 593 52.108 -6.101 -9.573 346 HA LYS 593 HA LYS 593 53.413 -4.937 -7.328 347 HB2 LYS 593 HB2 LYS 593 51.596 -6.629 -7.214 348 HB3 LYS 593 HB3 LYS 593 52.721 -7.835 -7.824 349 HG2 LYS 593 HG2 LYS 593 54.171 -7.474 -5.866 350 HG3 LYS 593 HG3 LYS 593 53.040 -6.263 -5.256 351 HD2 LYS 593 HD2 LYS 593 51.261 -7.937 -5.221 352 HD3 LYS 593 HD3 LYS 593 52.381 -9.145 -5.838 353 HE2 LYS 593 HE2 LYS 593 53.753 -8.910 -3.814 354 HE3 LYS 593 HE3 LYS 593 52.656 -7.671 -3.204 355 HZ1 LYS 593 HZ1 LYS 593 50.864 -9.438 -3.511 356 HZ2 LYS 593 HZ2 LYS 593 51.931 -9.624 -2.201 357 HZ3 LYS 593 HZ3 LYS 593 52.139 -10.551 -3.611 358 H GLU 594 HN GLU 594 54.363 -7.320 -9.710 359 HA GLU 594 HA GLU 594 56.805 -8.138 -8.631 360 HB2 GLU 594 HB2 GLU 594 55.625 -9.224 -10.519 361 HB3 GLU 594 HB3 GLU 594 56.040 -7.858 -11.546 362 HG2 GLU 594 HG2 GLU 594 58.429 -8.327 -11.232 363 HG3 GLU 594 HG3 GLU 594 58.044 -9.652 -10.143 364 H GLU 595 HN GLU 595 56.043 -5.329 -10.749 365 HA GLU 595 HA GLU 595 58.765 -4.584 -11.088 366 HB2 GLU 595 HB2 GLU 595 58.000 -2.448 -11.906 367 HB3 GLU 595 HB3 GLU 595 57.017 -3.723 -12.588 368 HG2 GLU 595 HG2 GLU 595 55.137 -3.066 -11.457 369 HG3 GLU 595 HG3 GLU 595 56.018 -2.356 -10.121 370 H TRP 596 HN TRP 596 56.357 -3.724 -8.683 371 HA TRP 596 HA TRP 596 57.881 -1.752 -7.316 372 HB2 TRP 596 HB2 TRP 596 55.613 -3.536 -6.421 373 HB3 TRP 596 HB3 TRP 596 56.390 -2.386 -5.341 374 HD1 TRP 596 HD1 TRP 596 53.765 -2.630 -7.939 375 HE1 TRP 596 HE1 TRP 596 52.844 -0.293 -8.500 376 HE3 TRP 596 HE3 TRP 596 57.271 0.260 -5.615 377 HZ2 TRP 596 HZ2 TRP 596 53.511 2.463 -8.010 378 HZ3 TRP 596 HZ3 TRP 596 57.101 2.733 -5.667 379 HH2 TRP 596 HH2 TRP 596 55.230 3.839 -6.859 380 H ASP 597 HN ASP 597 57.606 -5.274 -6.942 381 HA ASP 597 HA ASP 597 59.181 -5.544 -4.606 382 HB2 ASP 597 HB2 ASP 597 58.380 -7.377 -6.838 383 HB3 ASP 597 HB3 ASP 597 59.617 -7.904 -5.705 384 H ARG 598 HN ARG 598 59.991 -5.504 -8.043 385 HA ARG 598 HA ARG 598 62.708 -6.211 -7.868 386 HB2 ARG 598 HB2 ARG 598 61.394 -6.190 -9.964 387 HB3 ARG 598 HB3 ARG 598 61.337 -4.432 -9.903 388 HG2 ARG 598 HG2 ARG 598 63.795 -4.341 -10.045 389 HG3 ARG 598 HG3 ARG 598 63.865 -6.101 -10.082 390 HD2 ARG 598 HD2 ARG 598 62.449 -6.043 -12.156 391 HD3 ARG 598 HD3 ARG 598 62.586 -4.288 -12.147 392 HE ARG 598 HE ARG 598 65.140 -5.631 -12.053 393 HH11 ARG 598 HH11 ARG 598 62.626 -4.449 -14.198 394 HH12 ARG 598 HH12 ARG 598 63.695 -4.324 -15.555 395 HH21 ARG 598 HH21 ARG 598 66.473 -5.464 -13.845 396 HH22 ARG 598 HH22 ARG 598 65.850 -4.894 -15.357 397 H LYS 599 HN LYS 599 61.110 -3.024 -7.741 398 HA LYS 599 HA LYS 599 63.445 -1.424 -7.644 399 HB2 LYS 599 HB2 LYS 599 61.116 -0.575 -8.049 400 HB3 LYS 599 HB3 LYS 599 60.762 -0.854 -6.349 401 HG2 LYS 599 HG2 LYS 599 62.511 0.746 -5.698 402 HG3 LYS 599 HG3 LYS 599 62.936 0.992 -7.390 403 HD2 LYS 599 HD2 LYS 599 60.648 1.834 -7.835 404 HD3 LYS 599 HD3 LYS 599 60.241 1.610 -6.138 405 HE2 LYS 599 HE2 LYS 599 61.979 3.237 -5.497 406 HE3 LYS 599 HE3 LYS 599 62.417 3.447 -7.191 407 HZ1 LYS 599 HZ1 LYS 599 60.164 4.238 -7.628 408 HZ2 LYS 599 HZ2 LYS 599 60.933 5.200 -6.457 409 HZ3 LYS 599 HZ3 LYS 599 59.765 4.059 -5.989 410 H ALA 600 HN ALA 600 61.482 -2.946 -5.117 411 HA ALA 600 HA ALA 600 62.823 -1.892 -2.873 412 HB1 ALA 600 HB1 ALA 600 61.635 -4.642 -2.853 413 HB2 ALA 600 HB2 ALA 600 60.588 -3.238 -3.069 414 HB3 ALA 600 HB3 ALA 600 61.572 -3.388 -1.614 415 H GLU 601 HN GLU 601 63.424 -4.777 -4.840 416 HA GLU 601 HA GLU 601 65.414 -5.950 -3.207 417 HB2 GLU 601 HB2 GLU 601 64.228 -7.126 -5.040 418 HB3 GLU 601 HB3 GLU 601 65.087 -6.134 -6.212 419 HG2 GLU 601 HG2 GLU 601 67.239 -7.033 -5.407 420 HG3 GLU 601 HG3 GLU 601 66.395 -8.005 -4.208 421 H ASP 602 HN ASP 602 65.592 -3.570 -5.852 422 HA ASP 602 HA ASP 602 68.421 -3.472 -6.026 423 HB2 ASP 602 HB2 ASP 602 66.207 -1.628 -6.848 424 HB3 ASP 602 HB3 ASP 602 67.864 -1.038 -6.872 425 H ALA 603 HN ALA 603 66.080 -1.722 -4.034 426 HA ALA 603 HA ALA 603 67.892 0.131 -2.892 427 HB1 ALA 603 HB1 ALA 603 65.253 -0.991 -1.951 428 HB2 ALA 603 HB2 ALA 603 65.571 0.592 -2.660 429 HB3 ALA 603 HB3 ALA 603 66.150 0.222 -1.035 430 H ARG 604 HN ARG 604 66.876 -3.140 -1.965 431 HA ARG 604 HA ARG 604 68.222 -3.262 0.525 432 HB2 ARG 604 HB2 ARG 604 67.378 -5.424 -1.414 433 HB3 ARG 604 HB3 ARG 604 68.128 -5.771 0.139 434 HG2 ARG 604 HG2 ARG 604 66.308 -4.600 1.304 435 HG3 ARG 604 HG3 ARG 604 65.565 -4.187 -0.240 436 HD2 ARG 604 HD2 ARG 604 65.310 -6.593 -0.750 437 HD3 ARG 604 HD3 ARG 604 66.034 -7.000 0.796 438 HE ARG 604 HE ARG 604 63.342 -5.935 0.346 439 HH11 ARG 604 HH11 ARG 604 65.805 -6.838 2.683 440 HH12 ARG 604 HH12 ARG 604 64.681 -6.907 3.996 441 HH21 ARG 604 HH21 ARG 604 61.937 -6.026 2.099 442 HH22 ARG 604 HH22 ARG 604 62.526 -6.452 3.671 443 H ARG 605 HN ARG 605 69.235 -3.993 -2.802 444 HA ARG 605 HA ARG 605 71.771 -5.118 -2.193 445 HB2 ARG 605 HB2 ARG 605 70.755 -3.664 -4.649 446 HB3 ARG 605 HB3 ARG 605 72.355 -4.389 -4.554 447 HG2 ARG 605 HG2 ARG 605 71.352 -6.595 -4.140 448 HG3 ARG 605 HG3 ARG 605 69.740 -5.882 -4.183 449 HD2 ARG 605 HD2 ARG 605 70.141 -5.144 -6.510 450 HD3 ARG 605 HD3 ARG 605 71.737 -5.874 -6.466 451 HE ARG 605 HE ARG 605 69.173 -7.273 -6.656 452 HH11 ARG 605 HH11 ARG 605 72.645 -7.542 -6.205 453 HH12 ARG 605 HH12 ARG 605 72.680 -9.214 -6.654 454 HH21 ARG 605 HH21 ARG 605 69.285 -9.433 -7.256 455 HH22 ARG 605 HH22 ARG 605 70.803 -10.269 -7.240 456 H ASP 606 HN ASP 606 70.682 -1.798 -2.770 457 HA ASP 606 HA ASP 606 73.223 -0.559 -2.787 458 HB2 ASP 606 HB2 ASP 606 70.411 0.376 -2.370 459 HB3 ASP 606 HB3 ASP 606 71.736 1.472 -2.000 460 H TYR 607 HN TYR 607 70.964 -1.296 -0.147 461 HA TYR 607 HA TYR 607 72.261 0.135 1.918 462 HB2 TYR 607 HB2 TYR 607 69.962 -0.980 1.990 463 HB3 TYR 607 HB3 TYR 607 70.815 -2.491 2.280 464 HD1 TYR 607 HD1 TYR 607 72.165 -2.801 4.395 465 HD2 TYR 607 HD2 TYR 607 69.794 0.729 3.692 466 HE1 TYR 607 HE1 TYR 607 72.263 -2.245 6.809 467 HE2 TYR 607 HE2 TYR 607 69.906 1.277 6.107 468 HH TYR 607 HH TYR 607 70.463 -0.657 8.409 469 H GLU 608 HN GLU 608 72.597 -3.207 0.759 470 HA GLU 608 HA GLU 608 74.471 -4.164 2.599 471 HB2 GLU 608 HB2 GLU 608 74.124 -4.800 -0.339 472 HB3 GLU 608 HB3 GLU 608 75.170 -5.710 0.743 473 HG2 GLU 608 HG2 GLU 608 73.240 -6.293 2.147 474 HG3 GLU 608 HG3 GLU 608 72.183 -5.334 1.120 475 H LYS 609 HN LYS 609 74.916 -2.314 -0.395 476 HA LYS 609 HA LYS 609 77.734 -2.410 -0.537 477 HB2 LYS 609 HB2 LYS 609 76.239 -1.631 -2.371 478 HB3 LYS 609 HB3 LYS 609 75.895 -0.176 -1.444 479 HG2 LYS 609 HG2 LYS 609 78.265 0.453 -1.509 480 HG3 LYS 609 HG3 LYS 609 78.656 -1.035 -2.369 481 HD2 LYS 609 HD2 LYS 609 77.174 -0.327 -4.229 482 HD3 LYS 609 HD3 LYS 609 76.838 1.175 -3.374 483 HE2 LYS 609 HE2 LYS 609 79.621 0.286 -4.190 484 HE3 LYS 609 HE3 LYS 609 78.622 1.380 -5.141 485 HZ1 LYS 609 HZ1 LYS 609 80.151 1.900 -2.777 486 HZ2 LYS 609 HZ2 LYS 609 78.547 2.445 -2.635 487 HZ3 LYS 609 HZ3 LYS 609 79.523 2.987 -3.917 488 H ALA 610 HN ALA 610 75.536 -0.097 1.031 489 HA ALA 610 HA ALA 610 77.529 1.676 1.993 490 HB1 ALA 610 HB1 ALA 610 74.713 1.098 2.906 491 HB2 ALA 610 HB2 ALA 610 75.289 2.475 1.966 492 HB3 ALA 610 HB3 ALA 610 75.733 2.321 3.668 493 H MET 611 HN MET 611 76.026 -1.227 3.345 494 HA MET 611 HA MET 611 77.126 -1.062 5.941 495 HB2 MET 611 HB2 MET 611 76.288 -3.467 4.304 496 HB3 MET 611 HB3 MET 611 76.690 -3.530 6.015 497 HG2 MET 611 HG2 MET 611 74.438 -1.920 4.774 498 HG3 MET 611 HG3 MET 611 74.250 -3.389 5.708 499 HE1 MET 611 HE1 MET 611 75.939 -3.395 7.999 500 HE2 MET 611 HE2 MET 611 74.203 -3.488 8.289 501 HE3 MET 611 HE3 MET 611 75.198 -2.409 9.271 502 H LYS 612 HN LYS 612 78.334 -2.417 2.897 503 HA LYS 612 HA LYS 612 80.605 -3.738 3.940 504 HB2 LYS 612 HB2 LYS 612 80.005 -2.609 1.203 505 HB3 LYS 612 HB3 LYS 612 81.503 -3.458 1.569 506 HG2 LYS 612 HG2 LYS 612 80.213 -5.440 2.271 507 HG3 LYS 612 HG3 LYS 612 78.712 -4.594 1.914 508 HD2 LYS 612 HD2 LYS 612 79.378 -4.393 -0.449 509 HD3 LYS 612 HD3 LYS 612 80.895 -5.216 -0.098 510 HE2 LYS 612 HE2 LYS 612 79.644 -7.223 0.608 511 HE3 LYS 612 HE3 LYS 612 78.125 -6.402 0.266 512 HZ1 LYS 612 HZ1 LYS 612 78.328 -7.249 -1.768 513 HZ2 LYS 612 HZ2 LYS 612 79.952 -7.688 -1.530 514 HZ3 LYS 612 HZ3 LYS 612 79.560 -6.114 -2.037 515 H GLU 613 HN GLU 613 80.141 -0.407 2.773 516 HA GLU 613 HA GLU 613 82.920 0.303 3.225 517 HB2 GLU 613 HB2 GLU 613 81.603 1.367 1.418 518 HB3 GLU 613 HB3 GLU 613 80.543 2.086 2.625 519 HG2 GLU 613 HG2 GLU 613 82.450 3.321 3.580 520 HG3 GLU 613 HG3 GLU 613 83.533 2.577 2.413 521 H TYR 614 HN TYR 614 79.902 0.472 4.977 522 HA TYR 614 HA TYR 614 80.551 2.392 6.936 523 HB2 TYR 614 HB2 TYR 614 78.265 1.567 6.588 524 HB3 TYR 614 HB3 TYR 614 78.746 -0.043 7.102 525 HD1 TYR 614 HD1 TYR 614 78.833 3.515 8.330 526 HD2 TYR 614 HD2 TYR 614 78.389 -0.641 9.345 527 HE1 TYR 614 HE1 TYR 614 78.348 4.139 10.684 528 HE2 TYR 614 HE2 TYR 614 77.901 -0.017 11.692 529 HH TYR 614 HH TYR 614 78.588 2.892 13.012 530 H GLU 615 HN GLU 615 80.964 -1.143 6.854 531 HA GLU 615 HA GLU 615 82.110 -1.441 9.416 532 HB2 GLU 615 HB2 GLU 615 82.452 -3.094 6.904 533 HB3 GLU 615 HB3 GLU 615 83.060 -3.567 8.486 534 HG2 GLU 615 HG2 GLU 615 80.780 -3.526 9.397 535 HG3 GLU 615 HG3 GLU 615 80.152 -2.994 7.844 536 H GLY 616 HN GLY 616 83.524 -0.744 6.245 537 HA2 GLY 616 HA2 GLY 616 85.533 0.270 5.702 538 HA3 GLY 616 HA3 GLY 616 85.856 0.469 7.421 539 H GLY 617 HN GLY 617 85.076 -2.684 6.128 540 HA2 GLY 617 HA2 GLY 617 87.835 -3.512 5.785 541 HA3 GLY 617 HA3 GLY 617 87.050 -4.171 7.218 Start of MODEL 3 1 H MET 551 HT1 MET 551 55.247 -9.433 -1.376 2 HA MET 551 HA MET 551 53.326 -8.657 0.748 3 HB2 MET 551 HB2 MET 551 56.017 -10.049 0.937 4 HB3 MET 551 HB3 MET 551 55.206 -9.287 2.304 5 HG2 MET 551 HG2 MET 551 53.262 -10.790 1.998 6 HG3 MET 551 HG3 MET 551 54.075 -11.563 0.634 7 HE1 MET 551 HE1 MET 551 53.052 -13.386 2.860 8 HE2 MET 551 HE2 MET 551 54.447 -14.417 3.176 9 HE3 MET 551 HE3 MET 551 54.058 -13.949 1.523 10 H SER 552 HN SER 552 56.732 -8.398 -0.338 11 HA SER 552 HA SER 552 57.191 -5.869 0.839 12 HB2 SER 552 HB2 SER 552 59.200 -5.789 -0.578 13 HB3 SER 552 HB3 SER 552 59.022 -7.362 0.201 14 HG SER 552 HG SER 552 58.457 -8.249 -1.683 15 H ALA 553 HN ALA 553 56.056 -6.816 -2.371 16 HA ALA 553 HA ALA 553 56.193 -4.272 -3.612 17 HB1 ALA 553 HB1 ALA 553 54.322 -6.617 -4.092 18 HB2 ALA 553 HB2 ALA 553 55.839 -6.291 -4.932 19 HB3 ALA 553 HB3 ALA 553 54.458 -5.217 -5.153 20 H TYR 554 HN TYR 554 53.739 -5.882 -1.686 21 HA TYR 554 HA TYR 554 51.636 -4.032 -1.958 22 HB2 TYR 554 HB2 TYR 554 51.355 -6.317 -1.117 23 HB3 TYR 554 HB3 TYR 554 52.348 -5.941 0.284 24 HD1 TYR 554 HD1 TYR 554 51.443 -4.818 2.196 25 HD2 TYR 554 HD2 TYR 554 49.116 -5.200 -1.401 26 HE1 TYR 554 HE1 TYR 554 49.417 -4.087 3.431 27 HE2 TYR 554 HE2 TYR 554 47.089 -4.457 -0.168 28 HH TYR 554 HH TYR 554 46.246 -4.311 2.058 29 H MET 555 HN MET 555 54.277 -4.305 0.429 30 HA MET 555 HA MET 555 53.466 -2.184 2.103 31 HB2 MET 555 HB2 MET 555 56.100 -3.554 1.609 32 HB3 MET 555 HB3 MET 555 56.028 -2.121 2.635 33 HG2 MET 555 HG2 MET 555 54.439 -3.205 4.139 34 HG3 MET 555 HG3 MET 555 54.309 -4.589 3.054 35 HE1 MET 555 HE1 MET 555 56.802 -2.426 5.184 36 HE2 MET 555 HE2 MET 555 57.766 -2.707 3.735 37 HE3 MET 555 HE3 MET 555 58.245 -3.446 5.262 38 H LEU 556 HN LEU 556 55.765 -2.213 -0.647 39 HA LEU 556 HA LEU 556 56.435 0.544 -0.488 40 HB2 LEU 556 HB2 LEU 556 56.511 -1.290 -2.905 41 HB3 LEU 556 HB3 LEU 556 57.308 0.274 -2.780 42 HG LEU 556 HG LEU 556 57.914 -2.160 -1.062 43 HD11 LEU 556 HD11 LEU 556 59.276 -0.869 -3.435 44 HD12 LEU 556 HD12 LEU 556 58.782 -2.550 -3.241 45 HD13 LEU 556 HD13 LEU 556 60.153 -1.922 -2.325 46 HD21 LEU 556 HD21 LEU 556 58.433 -0.263 0.301 47 HD22 LEU 556 HD22 LEU 556 59.036 0.658 -1.077 48 HD23 LEU 556 HD23 LEU 556 59.969 -0.701 -0.451 49 H TRP 557 HN TRP 557 54.078 -1.245 -2.410 50 HA TRP 557 HA TRP 557 53.066 0.859 -3.989 51 HB2 TRP 557 HB2 TRP 557 52.689 -1.471 -4.527 52 HB3 TRP 557 HB3 TRP 557 51.890 -1.741 -2.991 53 HD1 TRP 557 HD1 TRP 557 51.218 -0.816 -6.545 54 HE1 TRP 557 HE1 TRP 557 48.693 -0.391 -6.854 55 HE3 TRP 557 HE3 TRP 557 49.739 -0.528 -1.661 56 HZ2 TRP 557 HZ2 TRP 557 46.363 -0.003 -5.256 57 HZ3 TRP 557 HZ3 TRP 557 47.377 -0.117 -1.090 58 HH2 TRP 557 HH2 TRP 557 45.675 0.145 -2.882 59 H LEU 558 HN LEU 558 52.090 -0.402 -0.820 60 HA LEU 558 HA LEU 558 49.799 1.216 -0.445 61 HB2 LEU 558 HB2 LEU 558 50.680 -0.883 0.866 62 HB3 LEU 558 HB3 LEU 558 51.514 0.305 1.852 63 HG LEU 558 HG LEU 558 48.516 0.160 1.365 64 HD11 LEU 558 HD11 LEU 558 50.233 -0.431 3.800 65 HD12 LEU 558 HD12 LEU 558 49.365 -1.620 2.831 66 HD13 LEU 558 HD13 LEU 558 48.470 -0.440 3.791 67 HD21 LEU 558 HD21 LEU 558 48.918 2.466 1.747 68 HD22 LEU 558 HD22 LEU 558 50.240 2.141 2.869 69 HD23 LEU 558 HD23 LEU 558 48.573 1.854 3.364 70 H ASN 559 HN ASN 559 53.235 1.682 0.415 71 HA ASN 559 HA ASN 559 52.896 4.024 1.938 72 HB2 ASN 559 HB2 ASN 559 55.226 3.037 0.293 73 HB3 ASN 559 HB3 ASN 559 55.305 4.476 1.303 74 HD21 ASN 559 HD21 ASN 559 56.955 2.189 1.749 75 HD22 ASN 559 HD22 ASN 559 56.520 1.498 3.243 76 H ALA 560 HN ALA 560 53.618 3.606 -1.519 77 HA ALA 560 HA ALA 560 53.632 6.412 -2.081 78 HB1 ALA 560 HB1 ALA 560 54.866 5.153 -3.608 79 HB2 ALA 560 HB2 ALA 560 53.383 5.487 -4.502 80 HB3 ALA 560 HB3 ALA 560 53.621 3.912 -3.743 81 H SER 561 HN SER 561 51.259 3.835 -2.378 82 HA SER 561 HA SER 561 49.263 5.413 -3.672 83 HB2 SER 561 HB2 SER 561 49.366 2.969 -3.913 84 HB3 SER 561 HB3 SER 561 48.982 2.783 -2.203 85 HG SER 561 HG SER 561 47.159 2.663 -3.688 86 H ARG 562 HN ARG 562 50.117 4.931 -0.324 87 HA ARG 562 HA ARG 562 47.723 5.361 1.005 88 HB2 ARG 562 HB2 ARG 562 49.851 4.776 2.116 89 HB3 ARG 562 HB3 ARG 562 50.464 6.395 1.790 90 HG2 ARG 562 HG2 ARG 562 48.605 7.337 3.159 91 HG3 ARG 562 HG3 ARG 562 48.058 5.696 3.514 92 HD2 ARG 562 HD2 ARG 562 50.838 6.728 4.159 93 HD3 ARG 562 HD3 ARG 562 49.516 6.695 5.320 94 HE ARG 562 HE ARG 562 49.809 4.101 4.242 95 HH11 ARG 562 HH11 ARG 562 51.595 6.336 6.268 96 HH12 ARG 562 HH12 ARG 562 52.393 5.082 7.154 97 HH21 ARG 562 HH21 ARG 562 50.859 2.499 5.439 98 HH22 ARG 562 HH22 ARG 562 51.976 2.928 6.689 99 H GLU 563 HN GLU 563 49.981 7.817 -0.285 100 HA GLU 563 HA GLU 563 48.501 10.061 0.660 101 HB2 GLU 563 HB2 GLU 563 50.491 9.805 -1.602 102 HB3 GLU 563 HB3 GLU 563 49.815 11.337 -1.050 103 HG2 GLU 563 HG2 GLU 563 50.756 10.984 1.192 104 HG3 GLU 563 HG3 GLU 563 51.380 9.410 0.701 105 H LYS 564 HN LYS 564 48.509 8.239 -2.378 106 HA LYS 564 HA LYS 564 46.776 9.920 -3.852 107 HB2 LYS 564 HB2 LYS 564 47.307 6.945 -4.076 108 HB3 LYS 564 HB3 LYS 564 46.363 7.867 -5.243 109 HG2 LYS 564 HG2 LYS 564 48.318 9.306 -5.709 110 HG3 LYS 564 HG3 LYS 564 49.270 8.396 -4.531 111 HD2 LYS 564 HD2 LYS 564 48.947 6.329 -5.855 112 HD3 LYS 564 HD3 LYS 564 47.999 7.233 -7.038 113 HE2 LYS 564 HE2 LYS 564 49.961 8.673 -7.504 114 HE3 LYS 564 HE3 LYS 564 50.908 7.754 -6.337 115 HZ1 LYS 564 HZ1 LYS 564 49.812 5.882 -8.041 116 HZ2 LYS 564 HZ2 LYS 564 51.427 6.400 -7.999 117 HZ3 LYS 564 HZ3 LYS 564 50.322 7.145 -9.050 118 H ILE 565 HN ILE 565 46.146 7.052 -1.846 119 HA ILE 565 HA ILE 565 43.347 6.961 -2.286 120 HB ILE 565 HB ILE 565 44.899 5.856 0.081 121 HG12 ILE 565 HG12 ILE 565 44.024 4.378 -2.420 122 HG13 ILE 565 HG13 ILE 565 45.609 5.125 -2.297 123 HG21 ILE 565 HG21 ILE 565 42.207 5.066 -1.093 124 HG22 ILE 565 HG22 ILE 565 42.417 6.013 0.377 125 HG23 ILE 565 HG23 ILE 565 42.978 4.343 0.319 126 HD11 ILE 565 HD11 ILE 565 45.563 2.665 -1.673 127 HD12 ILE 565 HD12 ILE 565 44.567 3.104 -0.286 128 HD13 ILE 565 HD13 ILE 565 46.214 3.719 -0.417 129 H LYS 566 HN LYS 566 45.326 8.406 0.304 130 HA LYS 566 HA LYS 566 43.179 9.299 1.896 131 HB2 LYS 566 HB2 LYS 566 46.023 10.267 1.608 132 HB3 LYS 566 HB3 LYS 566 44.887 11.032 2.715 133 HG2 LYS 566 HG2 LYS 566 44.535 8.887 3.859 134 HG3 LYS 566 HG3 LYS 566 45.664 8.098 2.754 135 HD2 LYS 566 HD2 LYS 566 47.483 9.569 3.532 136 HD3 LYS 566 HD3 LYS 566 46.364 10.406 4.609 137 HE2 LYS 566 HE2 LYS 566 45.960 8.283 5.828 138 HE3 LYS 566 HE3 LYS 566 47.105 7.465 4.768 139 HZ1 LYS 566 HZ1 LYS 566 47.965 9.876 6.207 140 HZ2 LYS 566 HZ2 LYS 566 48.883 8.544 5.694 141 HZ3 LYS 566 HZ3 LYS 566 47.875 8.410 7.052 142 H SER 567 HN SER 567 44.933 10.883 -0.768 143 HA SER 567 HA SER 567 43.624 13.388 -0.580 144 HB2 SER 567 HB2 SER 567 45.627 13.337 -1.830 145 HB3 SER 567 HB3 SER 567 45.082 11.974 -2.805 146 HG SER 567 HG SER 567 44.835 13.840 -4.000 147 H ASP 568 HN ASP 568 42.918 10.465 -2.457 148 HA ASP 568 HA ASP 568 40.662 11.565 -3.835 149 HB2 ASP 568 HB2 ASP 568 41.825 8.835 -3.481 150 HB3 ASP 568 HB3 ASP 568 40.187 8.981 -4.112 151 H HIS 569 HN HIS 569 41.091 9.835 -0.806 152 HA HIS 569 HA HIS 569 38.199 10.174 -0.270 153 HB2 HIS 569 HB2 HIS 569 39.742 7.913 0.985 154 HB3 HIS 569 HB3 HIS 569 38.002 8.088 0.785 155 HD2 HIS 569 HD2 HIS 569 41.112 6.853 -1.238 156 HE1 HIS 569 HE1 HIS 569 37.687 6.025 -3.546 157 HE2 HIS 569 HE2 HIS 569 40.191 5.666 -3.368 158 HA PRO 570 HA PRO 570 40.796 12.356 2.920 159 HB2 PRO 570 HB2 PRO 570 39.228 14.584 3.103 160 HB3 PRO 570 HB3 PRO 570 40.515 14.403 1.896 161 HG2 PRO 570 HG2 PRO 570 37.575 13.995 1.597 162 HG3 PRO 570 HG3 PRO 570 38.715 14.811 0.513 163 HD2 PRO 570 HD2 PRO 570 37.867 12.277 0.052 164 HD3 PRO 570 HD3 PRO 570 39.504 12.816 -0.386 165 H GLY 571 HN GLY 571 40.432 12.366 5.104 166 HA2 GLY 571 HA2 GLY 571 39.217 12.360 7.103 167 HA3 GLY 571 HA3 GLY 571 37.729 12.257 6.174 168 H ILE 572 HN ILE 572 39.881 9.921 5.025 169 HA ILE 572 HA ILE 572 38.397 7.845 6.426 170 HB ILE 572 HB ILE 572 38.656 7.654 3.981 171 HG12 ILE 572 HG12 ILE 572 40.243 5.483 5.377 172 HG13 ILE 572 HG13 ILE 572 38.502 5.667 5.594 173 HG21 ILE 572 HG21 ILE 572 40.764 7.345 2.921 174 HG22 ILE 572 HG22 ILE 572 41.587 7.098 4.460 175 HG23 ILE 572 HG23 ILE 572 41.015 8.703 4.021 176 HD11 ILE 572 HD11 ILE 572 38.033 5.107 3.366 177 HD12 ILE 572 HD12 ILE 572 39.375 4.030 3.753 178 HD13 ILE 572 HD13 ILE 572 39.663 5.498 2.819 179 H SER 573 HN SER 573 39.220 6.433 7.853 180 HA SER 573 HA SER 573 41.567 7.202 9.295 181 HB2 SER 573 HB2 SER 573 40.940 5.584 10.864 182 HB3 SER 573 HB3 SER 573 39.396 6.074 10.164 183 HG SER 573 HG SER 573 39.232 4.191 9.182 184 H ILE 574 HN ILE 574 43.310 5.656 9.848 185 HA ILE 574 HA ILE 574 44.705 4.802 7.542 186 HB ILE 574 HB ILE 574 45.139 4.188 10.489 187 HG12 ILE 574 HG12 ILE 574 46.616 6.083 8.630 188 HG13 ILE 574 HG13 ILE 574 45.270 6.590 9.648 189 HG21 ILE 574 HG21 ILE 574 46.275 2.452 9.225 190 HG22 ILE 574 HG22 ILE 574 47.502 3.620 9.714 191 HG23 ILE 574 HG23 ILE 574 46.886 3.627 8.062 192 HD11 ILE 574 HD11 ILE 574 47.665 6.933 10.585 193 HD12 ILE 574 HD12 ILE 574 47.675 5.187 10.834 194 HD13 ILE 574 HD13 ILE 574 46.476 6.188 11.654 195 H THR 575 HN THR 575 42.897 3.040 10.024 196 HA THR 575 HA THR 575 43.430 0.425 9.162 197 HB THR 575 HB THR 575 40.862 1.389 10.428 198 HG1 THR 575 HG3 THR 575 41.924 1.264 12.350 199 HG21 THR 575 HG21 THR 575 42.381 -1.231 10.555 200 HG22 THR 575 HG22 THR 575 40.867 -0.953 9.695 201 HG23 THR 575 HG23 THR 575 40.909 -0.863 11.455 202 H ASP 576 HN ASP 576 40.823 2.679 8.312 203 HA ASP 576 HA ASP 576 39.422 0.929 6.576 204 HB2 ASP 576 HB2 ASP 576 39.482 3.898 6.979 205 HB3 ASP 576 HB3 ASP 576 38.665 3.237 5.565 206 H LEU 577 HN LEU 577 42.117 3.149 6.096 207 HA LEU 577 HA LEU 577 42.184 3.167 3.278 208 HB2 LEU 577 HB2 LEU 577 44.315 3.561 5.372 209 HB3 LEU 577 HB3 LEU 577 44.706 3.583 3.659 210 HG LEU 577 HG LEU 577 42.675 5.402 4.991 211 HD11 LEU 577 HD11 LEU 577 45.405 6.096 3.885 212 HD12 LEU 577 HD12 LEU 577 45.144 5.716 5.588 213 HD13 LEU 577 HD13 LEU 577 44.353 7.115 4.865 214 HD21 LEU 577 HD21 LEU 577 43.786 5.229 2.178 215 HD22 LEU 577 HD22 LEU 577 42.978 6.672 2.786 216 HD23 LEU 577 HD23 LEU 577 42.092 5.152 2.661 217 H SER 578 HN SER 578 43.649 1.000 5.675 218 HA SER 578 HA SER 578 45.273 -0.505 3.964 219 HB2 SER 578 HB2 SER 578 43.799 -1.427 6.442 220 HB3 SER 578 HB3 SER 578 45.152 -2.265 5.685 221 HG SER 578 HG SER 578 46.175 -1.030 7.109 222 H LYS 579 HN LYS 579 41.838 -0.880 4.802 223 HA LYS 579 HA LYS 579 41.386 -3.319 3.431 224 HB2 LYS 579 HB2 LYS 579 39.512 -1.028 4.070 225 HB3 LYS 579 HB3 LYS 579 38.988 -2.564 3.385 226 HG2 LYS 579 HG2 LYS 579 39.886 -3.761 5.347 227 HG3 LYS 579 HG3 LYS 579 40.418 -2.225 6.041 228 HD2 LYS 579 HD2 LYS 579 38.076 -1.418 6.057 229 HD3 LYS 579 HD3 LYS 579 37.544 -2.963 5.389 230 HE2 LYS 579 HE2 LYS 579 38.440 -4.134 7.372 231 HE3 LYS 579 HE3 LYS 579 38.965 -2.590 8.044 232 HZ1 LYS 579 HZ1 LYS 579 36.868 -3.197 9.000 233 HZ2 LYS 579 HZ2 LYS 579 36.170 -3.414 7.469 234 HZ3 LYS 579 HZ3 LYS 579 36.626 -1.862 7.983 235 H LYS 580 HN LYS 580 41.035 0.080 2.454 236 HA LYS 580 HA LYS 580 40.100 -0.376 -0.184 237 HB2 LYS 580 HB2 LYS 580 41.529 1.953 1.104 238 HB3 LYS 580 HB3 LYS 580 41.049 1.967 -0.595 239 HG2 LYS 580 HG2 LYS 580 38.690 1.502 0.110 240 HG3 LYS 580 HG3 LYS 580 39.209 1.638 1.795 241 HD2 LYS 580 HD2 LYS 580 39.944 3.936 1.430 242 HD3 LYS 580 HD3 LYS 580 39.549 3.818 -0.286 243 HE2 LYS 580 HE2 LYS 580 37.172 3.446 0.280 244 HE3 LYS 580 HE3 LYS 580 37.560 3.575 1.997 245 HZ1 LYS 580 HZ1 LYS 580 38.611 5.832 1.165 246 HZ2 LYS 580 HZ2 LYS 580 36.973 5.713 1.589 247 HZ3 LYS 580 HZ3 LYS 580 37.437 5.661 -0.046 248 H ALA 581 HN ALA 581 43.318 -0.005 1.174 249 HA ALA 581 HA ALA 581 44.791 0.126 -1.198 250 HB1 ALA 581 HB1 ALA 581 46.069 0.678 0.640 251 HB2 ALA 581 HB2 ALA 581 46.568 -1.002 0.436 252 HB3 ALA 581 HB3 ALA 581 45.352 -0.584 1.643 253 H GLY 582 HN GLY 582 43.742 -2.611 0.779 254 HA2 GLY 582 HA2 GLY 582 45.055 -4.627 -0.732 255 HA3 GLY 582 HA3 GLY 582 43.723 -4.876 0.392 256 H GLU 583 HN GLU 583 41.759 -3.274 -0.809 257 HA GLU 583 HA GLU 583 40.705 -5.045 -2.743 258 HB2 GLU 583 HB2 GLU 583 39.917 -2.217 -2.022 259 HB3 GLU 583 HB3 GLU 583 39.004 -3.230 -3.137 260 HG2 GLU 583 HG2 GLU 583 39.600 -3.952 -0.247 261 HG3 GLU 583 HG3 GLU 583 38.080 -3.279 -0.817 262 H ILE 584 HN ILE 584 42.349 -1.893 -3.085 263 HA ILE 584 HA ILE 584 41.918 -1.643 -5.873 264 HB ILE 584 HB ILE 584 44.064 -0.463 -4.077 265 HG12 ILE 584 HG12 ILE 584 41.627 0.798 -5.383 266 HG13 ILE 584 HG13 ILE 584 41.597 0.121 -3.756 267 HG21 ILE 584 HG21 ILE 584 44.468 1.124 -5.976 268 HG22 ILE 584 HG22 ILE 584 43.374 0.169 -6.977 269 HG23 ILE 584 HG23 ILE 584 44.886 -0.536 -6.408 270 HD11 ILE 584 HD11 ILE 584 43.611 2.238 -4.555 271 HD12 ILE 584 HD12 ILE 584 43.128 1.754 -2.930 272 HD13 ILE 584 HD13 ILE 584 42.008 2.663 -3.948 273 H TRP 585 HN TRP 585 44.594 -3.048 -4.003 274 HA TRP 585 HA TRP 585 46.298 -3.725 -6.116 275 HB2 TRP 585 HB2 TRP 585 46.051 -4.369 -3.299 276 HB3 TRP 585 HB3 TRP 585 46.445 -5.836 -4.189 277 HD1 TRP 585 HD1 TRP 585 48.227 -3.590 -2.329 278 HE1 TRP 585 HE1 TRP 585 50.590 -3.084 -3.265 279 HE3 TRP 585 HE3 TRP 585 47.627 -5.255 -7.064 280 HZ2 TRP 585 HZ2 TRP 585 52.031 -3.355 -5.762 281 HZ3 TRP 585 HZ3 TRP 585 49.466 -5.140 -8.719 282 HH2 TRP 585 HH2 TRP 585 51.661 -4.180 -8.060 283 H LYS 586 HN LYS 586 43.649 -5.511 -4.663 284 HA LYS 586 HA LYS 586 43.931 -7.936 -6.035 285 HB2 LYS 586 HB2 LYS 586 41.499 -6.570 -4.885 286 HB3 LYS 586 HB3 LYS 586 41.421 -8.174 -5.610 287 HG2 LYS 586 HG2 LYS 586 43.113 -8.997 -3.998 288 HG3 LYS 586 HG3 LYS 586 43.200 -7.393 -3.269 289 HD2 LYS 586 HD2 LYS 586 40.835 -7.508 -2.635 290 HD3 LYS 586 HD3 LYS 586 40.674 -9.062 -3.451 291 HE2 LYS 586 HE2 LYS 586 40.911 -9.434 -1.048 292 HE3 LYS 586 HE3 LYS 586 42.345 -10.035 -1.875 293 HZ1 LYS 586 HZ1 LYS 586 43.584 -8.173 -1.198 294 HZ2 LYS 586 HZ2 LYS 586 42.727 -8.663 0.181 295 HZ3 LYS 586 HZ3 LYS 586 42.204 -7.316 -0.708 296 H GLY 587 HN GLY 587 42.299 -4.944 -7.032 297 HA2 GLY 587 HA2 GLY 587 41.269 -6.176 -9.472 298 HA3 GLY 587 HA3 GLY 587 41.063 -4.498 -8.985 299 H MET 588 HN MET 588 44.089 -4.429 -8.477 300 HA MET 588 HA MET 588 44.831 -3.413 -11.053 301 HB2 MET 588 HB2 MET 588 45.494 -2.406 -8.852 302 HB3 MET 588 HB3 MET 588 46.599 -3.764 -8.630 303 HG2 MET 588 HG2 MET 588 47.925 -3.138 -10.491 304 HG3 MET 588 HG3 MET 588 46.672 -2.074 -11.138 305 HE1 MET 588 HE1 MET 588 49.594 -2.690 -9.342 306 HE2 MET 588 HE2 MET 588 49.216 -2.181 -7.702 307 HE3 MET 588 HE3 MET 588 50.182 -1.139 -8.745 308 H SER 589 HN SER 589 46.649 -4.042 -12.282 309 HA SER 589 HA SER 589 46.740 -6.770 -12.925 310 HB2 SER 589 HB2 SER 589 48.684 -4.555 -13.607 311 HB3 SER 589 HB3 SER 589 48.628 -6.134 -14.392 312 HG SER 589 HG SER 589 46.560 -5.673 -15.106 313 H LYS 590 HN LYS 590 48.178 -8.381 -12.611 314 HA LYS 590 HA LYS 590 49.566 -8.572 -10.146 315 HB2 LYS 590 HB2 LYS 590 49.675 -10.274 -12.650 316 HB3 LYS 590 HB3 LYS 590 50.462 -10.709 -11.135 317 HG2 LYS 590 HG2 LYS 590 48.274 -10.708 -9.985 318 HG3 LYS 590 HG3 LYS 590 47.478 -10.251 -11.495 319 HD2 LYS 590 HD2 LYS 590 48.303 -12.325 -12.563 320 HD3 LYS 590 HD3 LYS 590 49.077 -12.795 -11.047 321 HE2 LYS 590 HE2 LYS 590 46.874 -12.818 -9.922 322 HE3 LYS 590 HE3 LYS 590 46.096 -12.345 -11.431 323 HZ1 LYS 590 HZ1 LYS 590 47.807 -14.703 -11.527 324 HZ2 LYS 590 HZ2 LYS 590 46.329 -14.400 -12.303 325 HZ3 LYS 590 HZ3 LYS 590 46.352 -14.865 -10.671 326 H GLU 591 HN GLU 591 50.640 -7.984 -13.467 327 HA GLU 591 HA GLU 591 53.407 -8.228 -13.127 328 HB2 GLU 591 HB2 GLU 591 53.626 -6.812 -15.142 329 HB3 GLU 591 HB3 GLU 591 52.383 -8.045 -15.345 330 HG2 GLU 591 HG2 GLU 591 50.631 -6.393 -14.837 331 HG3 GLU 591 HG3 GLU 591 51.855 -5.150 -14.578 332 H LYS 592 HN LYS 592 51.296 -5.524 -12.372 333 HA LYS 592 HA LYS 592 53.291 -3.555 -11.990 334 HB2 LYS 592 HB2 LYS 592 50.482 -3.914 -10.999 335 HB3 LYS 592 HB3 LYS 592 51.486 -2.633 -10.323 336 HG2 LYS 592 HG2 LYS 592 51.847 -1.683 -12.545 337 HG3 LYS 592 HG3 LYS 592 50.936 -3.006 -13.288 338 HD2 LYS 592 HD2 LYS 592 48.921 -2.333 -12.113 339 HD3 LYS 592 HD3 LYS 592 49.796 -1.074 -11.244 340 HE2 LYS 592 HE2 LYS 592 50.269 0.057 -13.391 341 HE3 LYS 592 HE3 LYS 592 49.381 -1.205 -14.247 342 HZ1 LYS 592 HZ1 LYS 592 48.271 0.668 -12.225 343 HZ2 LYS 592 HZ2 LYS 592 47.407 -0.606 -12.937 344 HZ3 LYS 592 HZ3 LYS 592 47.959 0.686 -13.891 345 H LYS 593 HN LYS 593 52.034 -6.082 -9.858 346 HA LYS 593 HA LYS 593 53.241 -5.160 -7.456 347 HB2 LYS 593 HB2 LYS 593 51.439 -6.870 -7.611 348 HB3 LYS 593 HB3 LYS 593 52.618 -7.992 -8.288 349 HG2 LYS 593 HG2 LYS 593 53.971 -7.826 -6.235 350 HG3 LYS 593 HG3 LYS 593 52.790 -6.690 -5.559 351 HD2 LYS 593 HD2 LYS 593 51.022 -8.365 -5.794 352 HD3 LYS 593 HD3 LYS 593 52.194 -9.508 -6.456 353 HE2 LYS 593 HE2 LYS 593 53.456 -9.432 -4.343 354 HE3 LYS 593 HE3 LYS 593 52.282 -8.289 -3.683 355 HZ1 LYS 593 HZ1 LYS 593 50.571 -9.913 -3.834 356 HZ2 LYS 593 HZ2 LYS 593 51.886 -10.644 -3.050 357 HZ3 LYS 593 HZ3 LYS 593 51.568 -10.990 -4.681 358 H GLU 594 HN GLU 594 54.301 -7.312 -10.027 359 HA GLU 594 HA GLU 594 56.689 -8.223 -8.928 360 HB2 GLU 594 HB2 GLU 594 55.974 -7.638 -11.811 361 HB3 GLU 594 HB3 GLU 594 57.425 -8.502 -11.311 362 HG2 GLU 594 HG2 GLU 594 54.590 -9.378 -10.655 363 HG3 GLU 594 HG3 GLU 594 55.561 -10.036 -11.967 364 H GLU 595 HN GLU 595 56.025 -5.192 -10.766 365 HA GLU 595 HA GLU 595 58.743 -4.407 -10.928 366 HB2 GLU 595 HB2 GLU 595 58.025 -2.457 -11.886 367 HB3 GLU 595 HB3 GLU 595 56.561 -3.402 -12.088 368 HG2 GLU 595 HG2 GLU 595 55.699 -2.346 -9.931 369 HG3 GLU 595 HG3 GLU 595 57.111 -1.303 -9.963 370 H TRP 596 HN TRP 596 56.247 -3.675 -8.531 371 HA TRP 596 HA TRP 596 57.785 -1.979 -6.889 372 HB2 TRP 596 HB2 TRP 596 55.442 -3.776 -6.255 373 HB3 TRP 596 HB3 TRP 596 56.206 -2.751 -5.044 374 HD1 TRP 596 HD1 TRP 596 53.685 -2.684 -7.782 375 HE1 TRP 596 HE1 TRP 596 52.820 -0.277 -8.114 376 HE3 TRP 596 HE3 TRP 596 57.099 -0.126 -4.991 377 HZ2 TRP 596 HZ2 TRP 596 53.486 2.377 -7.299 378 HZ3 TRP 596 HZ3 TRP 596 56.966 2.342 -4.773 379 HH2 TRP 596 HH2 TRP 596 55.158 3.602 -5.926 380 H ASP 597 HN ASP 597 57.420 -5.504 -6.929 381 HA ASP 597 HA ASP 597 58.854 -6.107 -4.574 382 HB2 ASP 597 HB2 ASP 597 57.409 -7.677 -5.934 383 HB3 ASP 597 HB3 ASP 597 58.726 -7.779 -7.096 384 H ARG 598 HN ARG 598 59.880 -5.696 -7.937 385 HA ARG 598 HA ARG 598 62.598 -6.390 -7.633 386 HB2 ARG 598 HB2 ARG 598 61.431 -6.219 -9.810 387 HB3 ARG 598 HB3 ARG 598 61.342 -4.469 -9.612 388 HG2 ARG 598 HG2 ARG 598 63.827 -4.361 -9.536 389 HG3 ARG 598 HG3 ARG 598 63.897 -6.109 -9.783 390 HD2 ARG 598 HD2 ARG 598 62.599 -5.794 -11.915 391 HD3 ARG 598 HD3 ARG 598 62.750 -4.052 -11.694 392 HE ARG 598 HE ARG 598 64.860 -5.899 -12.503 393 HH11 ARG 598 HH11 ARG 598 64.103 -2.700 -11.288 394 HH12 ARG 598 HH12 ARG 598 65.599 -2.017 -11.827 395 HH21 ARG 598 HH21 ARG 598 66.767 -4.974 -13.206 396 HH22 ARG 598 HH22 ARG 598 67.100 -3.300 -12.909 397 H LYS 599 HN LYS 599 60.898 -3.260 -7.344 398 HA LYS 599 HA LYS 599 63.173 -1.621 -6.994 399 HB2 LYS 599 HB2 LYS 599 60.394 -1.290 -5.818 400 HB3 LYS 599 HB3 LYS 599 61.645 -0.054 -5.801 401 HG2 LYS 599 HG2 LYS 599 60.533 -1.281 -8.347 402 HG3 LYS 599 HG3 LYS 599 59.962 0.232 -7.649 403 HD2 LYS 599 HD2 LYS 599 62.241 1.185 -7.845 404 HD3 LYS 599 HD3 LYS 599 62.799 -0.320 -8.583 405 HE2 LYS 599 HE2 LYS 599 61.194 -0.029 -10.433 406 HE3 LYS 599 HE3 LYS 599 60.603 1.459 -9.695 407 HZ1 LYS 599 HZ1 LYS 599 62.236 2.572 -10.665 408 HZ2 LYS 599 HZ2 LYS 599 62.765 1.152 -11.430 409 HZ3 LYS 599 HZ3 LYS 599 63.407 1.598 -9.923 410 H ALA 600 HN ALA 600 61.201 -3.457 -4.702 411 HA ALA 600 HA ALA 600 62.397 -2.551 -2.322 412 HB1 ALA 600 HB1 ALA 600 60.273 -4.086 -2.832 413 HB2 ALA 600 HB2 ALA 600 61.100 -4.125 -1.275 414 HB3 ALA 600 HB3 ALA 600 61.437 -5.365 -2.483 415 H GLU 601 HN GLU 601 63.253 -5.187 -4.536 416 HA GLU 601 HA GLU 601 65.262 -6.361 -2.907 417 HB2 GLU 601 HB2 GLU 601 64.860 -6.378 -5.898 418 HB3 GLU 601 HB3 GLU 601 66.112 -7.307 -5.077 419 HG2 GLU 601 HG2 GLU 601 64.418 -8.515 -3.783 420 HG3 GLU 601 HG3 GLU 601 63.138 -7.545 -4.510 421 H ASP 602 HN ASP 602 65.366 -3.830 -5.423 422 HA ASP 602 HA ASP 602 68.186 -3.562 -5.496 423 HB2 ASP 602 HB2 ASP 602 65.897 -1.804 -6.300 424 HB3 ASP 602 HB3 ASP 602 67.519 -1.120 -6.238 425 H ALA 603 HN ALA 603 65.688 -2.043 -3.508 426 HA ALA 603 HA ALA 603 67.390 -0.172 -2.221 427 HB1 ALA 603 HB1 ALA 603 64.963 0.085 -2.177 428 HB2 ALA 603 HB2 ALA 603 65.580 -0.039 -0.530 429 HB3 ALA 603 HB3 ALA 603 64.797 -1.427 -1.283 430 H ARG 604 HN ARG 604 66.410 -3.494 -1.463 431 HA ARG 604 HA ARG 604 67.612 -3.695 1.087 432 HB2 ARG 604 HB2 ARG 604 65.932 -5.294 0.195 433 HB3 ARG 604 HB3 ARG 604 67.129 -5.882 -0.958 434 HG2 ARG 604 HG2 ARG 604 68.584 -6.612 0.889 435 HG3 ARG 604 HG3 ARG 604 67.427 -5.987 2.067 436 HD2 ARG 604 HD2 ARG 604 66.769 -8.133 0.022 437 HD3 ARG 604 HD3 ARG 604 67.242 -8.476 1.681 438 HE ARG 604 HE ARG 604 65.069 -6.710 1.803 439 HH11 ARG 604 HH11 ARG 604 65.692 -9.948 0.607 440 HH12 ARG 604 HH12 ARG 604 64.078 -10.499 0.899 441 HH21 ARG 604 HH21 ARG 604 62.978 -7.487 2.205 442 HH22 ARG 604 HH22 ARG 604 62.555 -9.117 1.795 443 H ARG 605 HN ARG 605 68.821 -4.443 -2.183 444 HA ARG 605 HA ARG 605 71.386 -5.382 -1.374 445 HB2 ARG 605 HB2 ARG 605 70.411 -4.192 -3.986 446 HB3 ARG 605 HB3 ARG 605 72.042 -4.820 -3.753 447 HG2 ARG 605 HG2 ARG 605 71.117 -7.042 -3.179 448 HG3 ARG 605 HG3 ARG 605 69.481 -6.416 -3.409 449 HD2 ARG 605 HD2 ARG 605 69.985 -5.900 -5.762 450 HD3 ARG 605 HD3 ARG 605 71.634 -6.484 -5.550 451 HE ARG 605 HE ARG 605 69.688 -8.476 -4.838 452 HH11 ARG 605 HH11 ARG 605 71.364 -7.038 -7.562 453 HH12 ARG 605 HH12 ARG 605 71.164 -8.433 -8.567 454 HH21 ARG 605 HH21 ARG 605 69.436 -10.252 -6.182 455 HH22 ARG 605 HH22 ARG 605 70.078 -10.240 -7.788 456 H ASP 606 HN ASP 606 70.121 -2.201 -2.291 457 HA ASP 606 HA ASP 606 72.568 -0.795 -2.309 458 HB2 ASP 606 HB2 ASP 606 69.685 -0.029 -2.080 459 HB3 ASP 606 HB3 ASP 606 70.915 1.187 -1.751 460 H TYR 607 HN TYR 607 70.238 -1.450 0.301 461 HA TYR 607 HA TYR 607 71.360 0.236 2.282 462 HB2 TYR 607 HB2 TYR 607 69.125 -0.920 2.413 463 HB3 TYR 607 HB3 TYR 607 69.985 -2.426 2.724 464 HD1 TYR 607 HD1 TYR 607 69.006 0.848 4.088 465 HD2 TYR 607 HD2 TYR 607 71.206 -2.774 4.871 466 HE1 TYR 607 HE1 TYR 607 69.037 1.385 6.515 467 HE2 TYR 607 HE2 TYR 607 71.240 -2.225 7.295 468 HH TYR 607 HH TYR 607 69.248 -0.176 8.737 469 H GLU 608 HN GLU 608 71.945 -3.151 1.420 470 HA GLU 608 HA GLU 608 73.799 -3.817 3.415 471 HB2 GLU 608 HB2 GLU 608 73.555 -4.755 0.549 472 HB3 GLU 608 HB3 GLU 608 74.653 -5.481 1.720 473 HG2 GLU 608 HG2 GLU 608 72.758 -6.084 3.164 474 HG3 GLU 608 HG3 GLU 608 71.638 -5.294 2.055 475 H LYS 609 HN LYS 609 74.215 -2.240 0.264 476 HA LYS 609 HA LYS 609 77.034 -2.196 0.187 477 HB2 LYS 609 HB2 LYS 609 74.995 -0.315 -1.024 478 HB3 LYS 609 HB3 LYS 609 76.722 -0.235 -1.362 479 HG2 LYS 609 HG2 LYS 609 76.676 -2.555 -2.210 480 HG3 LYS 609 HG3 LYS 609 74.945 -2.644 -1.874 481 HD2 LYS 609 HD2 LYS 609 74.493 -0.847 -3.465 482 HD3 LYS 609 HD3 LYS 609 76.220 -0.611 -3.730 483 HE2 LYS 609 HE2 LYS 609 75.544 -1.930 -5.578 484 HE3 LYS 609 HE3 LYS 609 76.260 -3.093 -4.465 485 HZ1 LYS 609 HZ1 LYS 609 74.351 -4.187 -4.483 486 HZ2 LYS 609 HZ2 LYS 609 73.638 -3.013 -5.478 487 HZ3 LYS 609 HZ3 LYS 609 73.566 -2.852 -3.790 488 H ALA 610 HN ALA 610 74.670 0.043 1.597 489 HA ALA 610 HA ALA 610 76.452 2.116 2.312 490 HB1 ALA 610 HB1 ALA 610 73.890 2.144 2.339 491 HB2 ALA 610 HB2 ALA 610 74.706 2.945 3.685 492 HB3 ALA 610 HB3 ALA 610 74.014 1.338 3.903 493 H MET 611 HN MET 611 75.446 -0.835 3.962 494 HA MET 611 HA MET 611 76.671 -0.336 6.449 495 HB2 MET 611 HB2 MET 611 76.225 -3.006 5.097 496 HB3 MET 611 HB3 MET 611 76.500 -2.750 6.819 497 HG2 MET 611 HG2 MET 611 74.099 -1.827 5.204 498 HG3 MET 611 HG3 MET 611 74.103 -3.058 6.457 499 HE1 MET 611 HE1 MET 611 73.928 -1.307 9.720 500 HE2 MET 611 HE2 MET 611 74.874 -2.560 8.921 501 HE3 MET 611 HE3 MET 611 73.125 -2.518 8.712 502 H LYS 612 HN LYS 612 77.843 -1.788 3.440 503 HA LYS 612 HA LYS 612 80.364 -2.652 4.396 504 HB2 LYS 612 HB2 LYS 612 79.453 -1.901 1.611 505 HB3 LYS 612 HB3 LYS 612 81.032 -2.595 1.973 506 HG2 LYS 612 HG2 LYS 612 79.939 -4.585 2.958 507 HG3 LYS 612 HG3 LYS 612 78.356 -3.895 2.583 508 HD2 LYS 612 HD2 LYS 612 78.915 -3.892 0.175 509 HD3 LYS 612 HD3 LYS 612 80.502 -4.576 0.541 510 HE2 LYS 612 HE2 LYS 612 79.431 -6.571 1.517 511 HE3 LYS 612 HE3 LYS 612 77.841 -5.894 1.171 512 HZ1 LYS 612 HZ1 LYS 612 79.029 -7.550 -0.474 513 HZ2 LYS 612 HZ2 LYS 612 79.733 -6.116 -1.046 514 HZ3 LYS 612 HZ3 LYS 612 78.045 -6.291 -1.040 515 H GLU 613 HN GLU 613 79.239 0.454 3.063 516 HA GLU 613 HA GLU 613 81.761 1.670 2.703 517 HB2 GLU 613 HB2 GLU 613 79.076 2.894 3.370 518 HB3 GLU 613 HB3 GLU 613 80.516 3.847 3.023 519 HG2 GLU 613 HG2 GLU 613 79.300 1.813 1.121 520 HG3 GLU 613 HG3 GLU 613 79.046 3.550 1.027 521 H TYR 614 HN TYR 614 79.601 1.526 5.533 522 HA TYR 614 HA TYR 614 81.069 3.229 7.232 523 HB2 TYR 614 HB2 TYR 614 79.437 0.793 8.003 524 HB3 TYR 614 HB3 TYR 614 79.971 2.058 9.103 525 HD1 TYR 614 HD1 TYR 614 79.428 4.576 7.731 526 HD2 TYR 614 HD2 TYR 614 77.127 0.940 7.738 527 HE1 TYR 614 HE1 TYR 614 77.369 5.874 7.252 528 HE2 TYR 614 HE2 TYR 614 75.072 2.235 7.242 529 HH TYR 614 HH TYR 614 74.393 4.842 7.731 530 H GLU 615 HN GLU 615 81.241 -0.278 6.700 531 HA GLU 615 HA GLU 615 83.248 -0.852 8.612 532 HB2 GLU 615 HB2 GLU 615 82.512 -2.260 6.037 533 HB3 GLU 615 HB3 GLU 615 83.645 -2.903 7.225 534 HG2 GLU 615 HG2 GLU 615 81.896 -2.932 8.939 535 HG3 GLU 615 HG3 GLU 615 80.754 -2.187 7.821 536 H GLY 616 HN GLY 616 83.404 0.039 5.186 537 HA2 GLY 616 HA2 GLY 616 85.117 1.048 3.998 538 HA3 GLY 616 HA3 GLY 616 86.074 1.085 5.475 539 H GLY 617 HN GLY 617 87.713 0.529 3.744 540 HA2 GLY 617 HA2 GLY 617 87.773 -2.099 2.630 541 HA3 GLY 617 HA3 GLY 617 89.123 -0.970 2.705 Start of MODEL 4 1 H MET 551 HT1 MET 551 52.656 -7.623 0.616 2 HA MET 551 HA MET 551 55.226 -8.857 1.400 3 HB2 MET 551 HB2 MET 551 53.805 -8.341 -1.225 4 HB3 MET 551 HB3 MET 551 55.496 -8.824 -1.136 5 HG2 MET 551 HG2 MET 551 54.884 -10.892 0.019 6 HG3 MET 551 HG3 MET 551 53.190 -10.399 0.046 7 HE1 MET 551 HE1 MET 551 55.780 -10.403 -3.459 8 HE2 MET 551 HE2 MET 551 55.808 -12.130 -3.112 9 HE3 MET 551 HE3 MET 551 56.260 -10.981 -1.858 10 H SER 552 HN SER 552 57.047 -7.791 0.082 11 HA SER 552 HA SER 552 57.449 -5.170 1.021 12 HB2 SER 552 HB2 SER 552 58.861 -6.650 -1.207 13 HB3 SER 552 HB3 SER 552 59.427 -5.155 -0.468 14 HG SER 552 HG SER 552 60.370 -6.530 0.837 15 H ALA 553 HN ALA 553 56.390 -6.395 -2.136 16 HA ALA 553 HA ALA 553 56.436 -3.936 -3.537 17 HB1 ALA 553 HB1 ALA 553 54.877 -5.041 -5.098 18 HB2 ALA 553 HB2 ALA 553 54.598 -6.323 -3.927 19 HB3 ALA 553 HB3 ALA 553 56.193 -6.126 -4.659 20 H TYR 554 HN TYR 554 54.014 -5.531 -1.564 21 HA TYR 554 HA TYR 554 51.867 -3.735 -1.977 22 HB2 TYR 554 HB2 TYR 554 51.546 -5.994 -1.142 23 HB3 TYR 554 HB3 TYR 554 52.536 -5.655 0.268 24 HD1 TYR 554 HD1 TYR 554 49.323 -4.825 -1.422 25 HD2 TYR 554 HD2 TYR 554 51.607 -4.620 2.213 26 HE1 TYR 554 HE1 TYR 554 47.286 -4.145 -0.178 27 HE2 TYR 554 HE2 TYR 554 49.573 -3.934 3.452 28 HH TYR 554 HH TYR 554 47.011 -4.284 3.097 29 H MET 555 HN MET 555 54.429 -3.941 0.491 30 HA MET 555 HA MET 555 53.535 -1.833 2.138 31 HB2 MET 555 HB2 MET 555 55.195 -3.516 2.850 32 HB3 MET 555 HB3 MET 555 56.364 -2.845 1.719 33 HG2 MET 555 HG2 MET 555 56.346 -0.704 2.934 34 HG3 MET 555 HG3 MET 555 55.108 -1.323 4.027 35 HE1 MET 555 HE1 MET 555 58.516 -1.544 2.587 36 HE2 MET 555 HE2 MET 555 58.679 -3.282 2.817 37 HE3 MET 555 HE3 MET 555 59.567 -2.174 3.861 38 H LEU 556 HN LEU 556 55.902 -1.836 -0.544 39 HA LEU 556 HA LEU 556 56.568 0.913 -0.385 40 HB2 LEU 556 HB2 LEU 556 56.657 -1.007 -2.725 41 HB3 LEU 556 HB3 LEU 556 57.314 0.623 -2.772 42 HG LEU 556 HG LEU 556 58.196 -1.490 -0.783 43 HD11 LEU 556 HD11 LEU 556 59.408 -0.596 -3.416 44 HD12 LEU 556 HD12 LEU 556 58.782 -2.202 -3.042 45 HD13 LEU 556 HD13 LEU 556 60.239 -1.614 -2.239 46 HD21 LEU 556 HD21 LEU 556 58.618 0.821 -0.034 47 HD22 LEU 556 HD22 LEU 556 59.367 1.200 -1.584 48 HD23 LEU 556 HD23 LEU 556 60.137 0.052 -0.491 49 H TRP 557 HN TRP 557 54.175 -0.844 -2.302 50 HA TRP 557 HA TRP 557 53.171 1.328 -3.814 51 HB2 TRP 557 HB2 TRP 557 52.827 -0.948 -4.510 52 HB3 TRP 557 HB3 TRP 557 52.053 -1.354 -2.993 53 HD1 TRP 557 HD1 TRP 557 51.320 -0.174 -6.461 54 HE1 TRP 557 HE1 TRP 557 48.782 0.190 -6.725 55 HE3 TRP 557 HE3 TRP 557 49.877 -0.334 -1.561 56 HZ2 TRP 557 HZ2 TRP 557 46.453 0.363 -5.088 57 HZ3 TRP 557 HZ3 TRP 557 47.507 -0.054 -0.957 58 HH2 TRP 557 HH2 TRP 557 45.794 0.296 -2.713 59 H LEU 558 HN LEU 558 52.176 -0.109 -0.732 60 HA LEU 558 HA LEU 558 49.828 1.395 -0.319 61 HB2 LEU 558 HB2 LEU 558 50.800 -0.697 0.937 62 HB3 LEU 558 HB3 LEU 558 51.560 0.501 1.967 63 HG LEU 558 HG LEU 558 48.581 0.211 1.446 64 HD11 LEU 558 HD11 LEU 558 48.462 -0.624 3.708 65 HD12 LEU 558 HD12 LEU 558 50.160 -0.239 3.989 66 HD13 LEU 558 HD13 LEU 558 49.725 -1.536 2.878 67 HD21 LEU 558 HD21 LEU 558 50.178 2.217 3.049 68 HD22 LEU 558 HD22 LEU 558 48.509 1.837 3.475 69 HD23 LEU 558 HD23 LEU 558 48.879 2.519 1.895 70 H ASN 559 HN ASN 559 53.220 1.997 0.616 71 HA ASN 559 HA ASN 559 52.747 4.276 2.196 72 HB2 ASN 559 HB2 ASN 559 55.121 3.331 0.612 73 HB3 ASN 559 HB3 ASN 559 55.158 4.867 1.467 74 HD21 ASN 559 HD21 ASN 559 56.877 2.680 2.127 75 HD22 ASN 559 HD22 ASN 559 56.472 2.140 3.688 76 H ALA 560 HN ALA 560 53.503 3.983 -1.263 77 HA ALA 560 HA ALA 560 53.367 6.803 -1.751 78 HB1 ALA 560 HB1 ALA 560 53.311 4.436 -3.631 79 HB2 ALA 560 HB2 ALA 560 54.717 5.404 -3.186 80 HB3 ALA 560 HB3 ALA 560 53.422 6.120 -4.146 81 H SER 561 HN SER 561 51.160 4.105 -2.132 82 HA SER 561 HA SER 561 49.091 5.575 -3.433 83 HB2 SER 561 HB2 SER 561 49.472 3.079 -3.586 84 HB3 SER 561 HB3 SER 561 48.759 2.954 -1.979 85 HG SER 561 HG SER 561 47.595 3.933 -4.370 86 H ARG 562 HN ARG 562 49.911 5.087 -0.084 87 HA ARG 562 HA ARG 562 47.464 5.331 1.192 88 HB2 ARG 562 HB2 ARG 562 49.595 4.847 2.340 89 HB3 ARG 562 HB3 ARG 562 50.111 6.509 2.082 90 HG2 ARG 562 HG2 ARG 562 48.174 7.285 3.428 91 HG3 ARG 562 HG3 ARG 562 47.719 5.606 3.720 92 HD2 ARG 562 HD2 ARG 562 50.388 6.831 4.487 93 HD3 ARG 562 HD3 ARG 562 49.045 6.593 5.601 94 HE ARG 562 HE ARG 562 50.887 4.578 4.675 95 HH11 ARG 562 HH11 ARG 562 47.621 5.097 5.825 96 HH12 ARG 562 HH12 ARG 562 47.436 3.471 6.389 97 HH21 ARG 562 HH21 ARG 562 50.606 2.466 5.425 98 HH22 ARG 562 HH22 ARG 562 49.113 1.995 6.162 99 H GLU 563 HN GLU 563 49.579 7.955 0.019 100 HA GLU 563 HA GLU 563 47.965 10.084 0.992 101 HB2 GLU 563 HB2 GLU 563 50.356 10.307 0.362 102 HB3 GLU 563 HB3 GLU 563 49.908 10.082 -1.326 103 HG2 GLU 563 HG2 GLU 563 48.497 12.107 -1.226 104 HG3 GLU 563 HG3 GLU 563 48.932 12.329 0.466 105 H LYS 564 HN LYS 564 48.133 8.378 -2.107 106 HA LYS 564 HA LYS 564 46.293 9.987 -3.531 107 HB2 LYS 564 HB2 LYS 564 47.063 7.080 -3.861 108 HB3 LYS 564 HB3 LYS 564 46.019 7.943 -4.986 109 HG2 LYS 564 HG2 LYS 564 47.837 9.580 -5.403 110 HG3 LYS 564 HG3 LYS 564 48.884 8.677 -4.306 111 HD2 LYS 564 HD2 LYS 564 48.687 6.680 -5.746 112 HD3 LYS 564 HD3 LYS 564 47.633 7.570 -6.842 113 HE2 LYS 564 HE2 LYS 564 49.453 9.185 -7.281 114 HE3 LYS 564 HE3 LYS 564 50.510 8.286 -6.195 115 HZ1 LYS 564 HZ1 LYS 564 50.133 6.324 -7.672 116 HZ2 LYS 564 HZ2 LYS 564 50.993 7.596 -8.393 117 HZ3 LYS 564 HZ3 LYS 564 49.355 7.357 -8.766 118 H ILE 565 HN ILE 565 45.849 7.004 -1.643 119 HA ILE 565 HA ILE 565 43.069 6.741 -2.118 120 HB ILE 565 HB ILE 565 44.687 5.663 0.219 121 HG12 ILE 565 HG12 ILE 565 43.888 4.208 -2.320 122 HG13 ILE 565 HG13 ILE 565 45.419 5.057 -2.189 123 HG21 ILE 565 HG21 ILE 565 42.021 4.791 -0.958 124 HG22 ILE 565 HG22 ILE 565 42.230 5.626 0.580 125 HG23 ILE 565 HG23 ILE 565 42.865 3.994 0.370 126 HD11 ILE 565 HD11 ILE 565 45.902 3.667 -0.115 127 HD12 ILE 565 HD12 ILE 565 45.844 2.751 -1.621 128 HD13 ILE 565 HD13 ILE 565 44.473 2.716 -0.513 129 H LYS 566 HN LYS 566 44.895 8.181 0.586 130 HA LYS 566 HA LYS 566 42.671 8.886 2.165 131 HB2 LYS 566 HB2 LYS 566 45.024 8.864 2.974 132 HB3 LYS 566 HB3 LYS 566 45.348 10.301 2.009 133 HG2 LYS 566 HG2 LYS 566 43.687 11.572 3.290 134 HG3 LYS 566 HG3 LYS 566 43.271 10.131 4.218 135 HD2 LYS 566 HD2 LYS 566 45.592 10.020 5.076 136 HD3 LYS 566 HD3 LYS 566 45.990 11.480 4.172 137 HE2 LYS 566 HE2 LYS 566 44.321 12.751 5.460 138 HE3 LYS 566 HE3 LYS 566 43.881 11.291 6.347 139 HZ1 LYS 566 HZ1 LYS 566 45.424 12.640 7.612 140 HZ2 LYS 566 HZ2 LYS 566 46.555 12.588 6.347 141 HZ3 LYS 566 HZ3 LYS 566 46.149 11.170 7.184 142 H SER 567 HN SER 567 44.389 10.656 -0.391 143 HA SER 567 HA SER 567 42.892 13.062 -0.143 144 HB2 SER 567 HB2 SER 567 44.369 11.985 -2.551 145 HB3 SER 567 HB3 SER 567 43.826 13.646 -2.325 146 HG SER 567 HG SER 567 46.095 13.026 -1.723 147 H ASP 568 HN ASP 568 42.515 10.153 -2.115 148 HA ASP 568 HA ASP 568 40.319 11.112 -3.669 149 HB2 ASP 568 HB2 ASP 568 41.585 8.448 -3.194 150 HB3 ASP 568 HB3 ASP 568 40.003 8.511 -3.963 151 H HIS 569 HN HIS 569 40.580 9.553 -0.544 152 HA HIS 569 HA HIS 569 37.627 9.610 -0.321 153 HB2 HIS 569 HB2 HIS 569 39.423 7.674 1.163 154 HB3 HIS 569 HB3 HIS 569 37.663 7.679 1.113 155 HD2 HIS 569 HD2 HIS 569 40.410 7.423 -1.786 156 HE1 HIS 569 HE1 HIS 569 37.379 4.562 -2.455 157 HE2 HIS 569 HE2 HIS 569 39.560 5.507 -3.339 158 HA PRO 570 HA PRO 570 39.570 12.535 2.754 159 HB2 PRO 570 HB2 PRO 570 36.965 13.908 2.318 160 HB3 PRO 570 HB3 PRO 570 38.606 14.582 2.327 161 HG2 PRO 570 HG2 PRO 570 37.275 14.299 0.060 162 HG3 PRO 570 HG3 PRO 570 39.012 13.952 0.141 163 HD2 PRO 570 HD2 PRO 570 36.710 12.016 0.126 164 HD3 PRO 570 HD3 PRO 570 38.267 11.921 -0.734 165 H GLY 571 HN GLY 571 39.223 12.505 4.924 166 HA2 GLY 571 HA2 GLY 571 38.216 12.135 6.964 167 HA3 GLY 571 HA3 GLY 571 36.668 12.098 6.133 168 H ILE 572 HN ILE 572 39.090 9.901 4.967 169 HA ILE 572 HA ILE 572 37.486 7.683 5.956 170 HB ILE 572 HB ILE 572 38.202 7.700 3.578 171 HG12 ILE 572 HG12 ILE 572 39.515 5.422 5.072 172 HG13 ILE 572 HG13 ILE 572 37.763 5.602 4.988 173 HG21 ILE 572 HG21 ILE 572 40.989 7.154 4.620 174 HG22 ILE 572 HG22 ILE 572 40.473 8.744 4.066 175 HG23 ILE 572 HG23 ILE 572 40.495 7.380 2.943 176 HD11 ILE 572 HD11 ILE 572 37.766 5.373 2.603 177 HD12 ILE 572 HD12 ILE 572 38.780 4.076 3.234 178 HD13 ILE 572 HD13 ILE 572 39.522 5.511 2.528 179 H SER 573 HN SER 573 38.077 6.263 7.474 180 HA SER 573 HA SER 573 40.116 6.986 9.327 181 HB2 SER 573 HB2 SER 573 38.247 4.645 9.073 182 HB3 SER 573 HB3 SER 573 39.501 4.676 10.310 183 HG SER 573 HG SER 573 38.475 6.236 11.322 184 H ILE 574 HN ILE 574 41.840 5.534 10.062 185 HA ILE 574 HA ILE 574 43.617 4.826 7.984 186 HB ILE 574 HB ILE 574 43.608 4.133 10.940 187 HG12 ILE 574 HG12 ILE 574 45.291 6.122 9.386 188 HG13 ILE 574 HG13 ILE 574 43.787 6.555 10.194 189 HG21 ILE 574 HG21 ILE 574 44.998 2.465 9.921 190 HG22 ILE 574 HG22 ILE 574 46.108 3.706 10.505 191 HG23 ILE 574 HG23 ILE 574 45.691 3.630 8.792 192 HD11 ILE 574 HD11 ILE 574 44.871 5.530 12.321 193 HD12 ILE 574 HD12 ILE 574 45.452 7.106 11.781 194 HD13 ILE 574 HD13 ILE 574 46.389 5.653 11.433 195 H THR 575 HN THR 575 41.531 2.887 10.084 196 HA THR 575 HA THR 575 42.322 0.340 9.201 197 HB THR 575 HB THR 575 39.560 1.117 10.146 198 HG1 THR 575 HG3 THR 575 40.358 1.014 12.177 199 HG21 THR 575 HG21 THR 575 40.034 -1.220 9.246 200 HG22 THR 575 HG22 THR 575 39.414 -1.148 10.896 201 HG23 THR 575 HG23 THR 575 41.133 -1.423 10.611 202 H ASP 576 HN ASP 576 39.791 2.548 8.070 203 HA ASP 576 HA ASP 576 38.711 0.829 6.090 204 HB2 ASP 576 HB2 ASP 576 38.594 3.773 6.619 205 HB3 ASP 576 HB3 ASP 576 38.020 3.156 5.073 206 H LEU 577 HN LEU 577 41.366 3.149 6.089 207 HA LEU 577 HA LEU 577 41.833 3.309 3.318 208 HB2 LEU 577 HB2 LEU 577 43.633 3.623 5.713 209 HB3 LEU 577 HB3 LEU 577 44.269 3.737 4.081 210 HG LEU 577 HG LEU 577 42.014 5.449 5.162 211 HD11 LEU 577 HD11 LEU 577 44.902 6.185 4.643 212 HD12 LEU 577 HD12 LEU 577 44.273 5.792 6.242 213 HD13 LEU 577 HD13 LEU 577 43.667 7.207 5.378 214 HD21 LEU 577 HD21 LEU 577 42.689 6.856 3.123 215 HD22 LEU 577 HD22 LEU 577 41.851 5.347 2.762 216 HD23 LEU 577 HD23 LEU 577 43.602 5.449 2.579 217 H SER 578 HN SER 578 43.004 1.037 5.780 218 HA SER 578 HA SER 578 44.859 -0.362 4.215 219 HB2 SER 578 HB2 SER 578 44.885 -0.748 6.558 220 HB3 SER 578 HB3 SER 578 43.175 -1.172 6.583 221 HG SER 578 HG SER 578 44.037 -3.116 6.485 222 H LYS 579 HN LYS 579 41.374 -0.879 4.702 223 HA LYS 579 HA LYS 579 41.150 -3.206 3.085 224 HB2 LYS 579 HB2 LYS 579 39.104 -1.096 3.813 225 HB3 LYS 579 HB3 LYS 579 38.722 -2.581 2.948 226 HG2 LYS 579 HG2 LYS 579 39.563 -3.913 4.846 227 HG3 LYS 579 HG3 LYS 579 39.947 -2.426 5.718 228 HD2 LYS 579 HD2 LYS 579 37.564 -1.769 5.644 229 HD3 LYS 579 HD3 LYS 579 37.181 -3.266 4.792 230 HE2 LYS 579 HE2 LYS 579 38.020 -4.571 6.715 231 HE3 LYS 579 HE3 LYS 579 38.384 -3.072 7.569 232 HZ1 LYS 579 HZ1 LYS 579 35.900 -2.570 7.098 233 HZ2 LYS 579 HZ2 LYS 579 36.318 -3.597 8.383 234 HZ3 LYS 579 HZ3 LYS 579 35.769 -4.250 6.915 235 H LYS 580 HN LYS 580 40.890 0.264 2.429 236 HA LYS 580 HA LYS 580 40.002 0.164 -0.244 237 HB2 LYS 580 HB2 LYS 580 41.713 2.188 1.221 238 HB3 LYS 580 HB3 LYS 580 41.107 2.434 -0.412 239 HG2 LYS 580 HG2 LYS 580 39.271 1.800 1.900 240 HG3 LYS 580 HG3 LYS 580 39.728 3.446 1.477 241 HD2 LYS 580 HD2 LYS 580 38.820 3.146 -0.772 242 HD3 LYS 580 HD3 LYS 580 38.390 1.476 -0.395 243 HE2 LYS 580 HE2 LYS 580 36.891 2.280 1.403 244 HE3 LYS 580 HE3 LYS 580 37.309 3.944 1.001 245 HZ1 LYS 580 HZ1 LYS 580 35.276 3.416 -0.079 246 HZ2 LYS 580 HZ2 LYS 580 35.907 1.977 -0.722 247 HZ3 LYS 580 HZ3 LYS 580 36.475 3.481 -1.277 248 H ALA 581 HN ALA 581 43.243 0.217 1.162 249 HA ALA 581 HA ALA 581 44.693 0.302 -1.244 250 HB1 ALA 581 HB1 ALA 581 45.265 -0.378 1.592 251 HB2 ALA 581 HB2 ALA 581 46.063 0.782 0.531 252 HB3 ALA 581 HB3 ALA 581 46.423 -0.937 0.388 253 H GLY 582 HN GLY 582 43.474 -2.358 0.723 254 HA2 GLY 582 HA2 GLY 582 44.694 -4.479 -0.692 255 HA3 GLY 582 HA3 GLY 582 43.269 -4.609 0.334 256 H GLU 583 HN GLU 583 41.579 -2.812 -1.077 257 HA GLU 583 HA GLU 583 40.520 -4.553 -3.046 258 HB2 GLU 583 HB2 GLU 583 39.900 -1.666 -2.405 259 HB3 GLU 583 HB3 GLU 583 39.001 -2.615 -3.583 260 HG2 GLU 583 HG2 GLU 583 39.323 -3.403 -0.672 261 HG3 GLU 583 HG3 GLU 583 37.932 -2.532 -1.305 262 H ILE 584 HN ILE 584 42.355 -1.498 -3.310 263 HA ILE 584 HA ILE 584 42.170 -1.282 -6.122 264 HB ILE 584 HB ILE 584 44.328 -0.220 -4.260 265 HG12 ILE 584 HG12 ILE 584 41.924 1.198 -5.456 266 HG13 ILE 584 HG13 ILE 584 41.887 0.447 -3.865 267 HG21 ILE 584 HG21 ILE 584 43.564 0.642 -7.079 268 HG22 ILE 584 HG22 ILE 584 44.996 -0.307 -6.681 269 HG23 ILE 584 HG23 ILE 584 44.840 1.346 -6.086 270 HD11 ILE 584 HD11 ILE 584 42.382 2.763 -3.502 271 HD12 ILE 584 HD12 ILE 584 43.608 2.768 -4.771 272 HD13 ILE 584 HD13 ILE 584 43.900 1.895 -3.267 273 H TRP 585 HN TRP 585 44.661 -2.745 -4.050 274 HA TRP 585 HA TRP 585 46.397 -3.599 -6.107 275 HB2 TRP 585 HB2 TRP 585 46.114 -4.017 -3.238 276 HB3 TRP 585 HB3 TRP 585 46.556 -5.526 -4.028 277 HD1 TRP 585 HD1 TRP 585 48.230 -3.057 -2.319 278 HE1 TRP 585 HE1 TRP 585 50.605 -2.570 -3.241 279 HE3 TRP 585 HE3 TRP 585 47.793 -5.186 -6.887 280 HZ2 TRP 585 HZ2 TRP 585 52.103 -3.019 -5.676 281 HZ3 TRP 585 HZ3 TRP 585 49.669 -5.151 -8.497 282 HH2 TRP 585 HH2 TRP 585 51.803 -4.060 -7.890 283 H LYS 586 HN LYS 586 43.668 -5.140 -4.558 284 HA LYS 586 HA LYS 586 43.878 -7.718 -5.624 285 HB2 LYS 586 HB2 LYS 586 42.324 -6.849 -3.793 286 HB3 LYS 586 HB3 LYS 586 41.255 -6.325 -5.087 287 HG2 LYS 586 HG2 LYS 586 41.029 -8.616 -5.888 288 HG3 LYS 586 HG3 LYS 586 42.220 -9.179 -4.711 289 HD2 LYS 586 HD2 LYS 586 40.735 -8.450 -2.865 290 HD3 LYS 586 HD3 LYS 586 39.540 -7.910 -4.043 291 HE2 LYS 586 HE2 LYS 586 39.307 -10.207 -4.888 292 HE3 LYS 586 HE3 LYS 586 40.535 -10.762 -3.756 293 HZ1 LYS 586 HZ1 LYS 586 39.088 -10.755 -2.063 294 HZ2 LYS 586 HZ2 LYS 586 37.892 -10.759 -3.267 295 HZ3 LYS 586 HZ3 LYS 586 38.359 -9.300 -2.537 296 H GLY 587 HN GLY 587 42.484 -4.793 -7.050 297 HA2 GLY 587 HA2 GLY 587 41.521 -6.277 -9.383 298 HA3 GLY 587 HA3 GLY 587 41.292 -4.560 -9.079 299 H MET 588 HN MET 588 44.323 -4.512 -8.422 300 HA MET 588 HA MET 588 45.167 -3.699 -11.034 301 HB2 MET 588 HB2 MET 588 45.855 -2.962 -8.483 302 HB3 MET 588 HB3 MET 588 47.243 -3.944 -8.947 303 HG2 MET 588 HG2 MET 588 47.773 -2.542 -10.778 304 HG3 MET 588 HG3 MET 588 46.170 -1.804 -10.786 305 HE1 MET 588 HE1 MET 588 49.668 -1.091 -7.954 306 HE2 MET 588 HE2 MET 588 49.247 -2.545 -8.851 307 HE3 MET 588 HE3 MET 588 48.461 -2.214 -7.309 308 H SER 589 HN SER 589 46.973 -4.450 -12.182 309 HA SER 589 HA SER 589 47.043 -7.251 -12.541 310 HB2 SER 589 HB2 SER 589 48.674 -6.805 -14.263 311 HB3 SER 589 HB3 SER 589 47.449 -5.541 -14.312 312 HG SER 589 HG SER 589 49.308 -4.436 -14.327 313 H LYS 590 HN LYS 590 48.591 -8.769 -12.188 314 HA LYS 590 HA LYS 590 50.051 -8.720 -9.766 315 HB2 LYS 590 HB2 LYS 590 49.124 -10.753 -10.843 316 HB3 LYS 590 HB3 LYS 590 50.305 -10.591 -12.136 317 HG2 LYS 590 HG2 LYS 590 52.136 -10.873 -10.498 318 HG3 LYS 590 HG3 LYS 590 50.948 -11.042 -9.203 319 HD2 LYS 590 HD2 LYS 590 49.992 -13.022 -10.340 320 HD3 LYS 590 HD3 LYS 590 51.195 -12.861 -11.621 321 HE2 LYS 590 HE2 LYS 590 53.001 -13.191 -9.973 322 HE3 LYS 590 HE3 LYS 590 51.807 -13.339 -8.686 323 HZ1 LYS 590 HZ1 LYS 590 52.538 -15.238 -10.774 324 HZ2 LYS 590 HZ2 LYS 590 50.896 -15.172 -10.354 325 HZ3 LYS 590 HZ3 LYS 590 52.063 -15.518 -9.172 326 H GLU 591 HN GLU 591 50.997 -8.230 -13.126 327 HA GLU 591 HA GLU 591 53.789 -8.319 -12.898 328 HB2 GLU 591 HB2 GLU 591 52.501 -8.273 -15.029 329 HB3 GLU 591 HB3 GLU 591 52.121 -6.579 -14.733 330 HG2 GLU 591 HG2 GLU 591 53.987 -6.656 -16.260 331 HG3 GLU 591 HG3 GLU 591 54.594 -6.098 -14.706 332 H LYS 592 HN LYS 592 51.529 -5.680 -12.245 333 HA LYS 592 HA LYS 592 53.438 -3.608 -11.995 334 HB2 LYS 592 HB2 LYS 592 50.819 -3.543 -12.129 335 HB3 LYS 592 HB3 LYS 592 50.916 -3.653 -10.375 336 HG2 LYS 592 HG2 LYS 592 52.214 -1.620 -10.242 337 HG3 LYS 592 HG3 LYS 592 52.389 -1.561 -12.000 338 HD2 LYS 592 HD2 LYS 592 50.038 -1.178 -12.303 339 HD3 LYS 592 HD3 LYS 592 49.707 -1.497 -10.610 340 HE2 LYS 592 HE2 LYS 592 49.657 0.906 -10.996 341 HE3 LYS 592 HE3 LYS 592 51.053 0.510 -9.996 342 HZ1 LYS 592 HZ1 LYS 592 50.943 1.431 -12.763 343 HZ2 LYS 592 HZ2 LYS 592 52.169 0.329 -12.365 344 HZ3 LYS 592 HZ3 LYS 592 52.052 1.808 -11.540 345 H LYS 593 HN LYS 593 52.232 -5.999 -9.696 346 HA LYS 593 HA LYS 593 53.429 -4.883 -7.366 347 HB2 LYS 593 HB2 LYS 593 51.655 -6.618 -7.372 348 HB3 LYS 593 HB3 LYS 593 52.831 -7.773 -7.991 349 HG2 LYS 593 HG2 LYS 593 54.213 -7.454 -5.979 350 HG3 LYS 593 HG3 LYS 593 53.026 -6.296 -5.357 351 HD2 LYS 593 HD2 LYS 593 51.287 -8.009 -5.457 352 HD3 LYS 593 HD3 LYS 593 52.464 -9.161 -6.086 353 HE2 LYS 593 HE2 LYS 593 52.305 -9.638 -3.766 354 HE3 LYS 593 HE3 LYS 593 53.797 -8.715 -3.944 355 HZ1 LYS 593 HZ1 LYS 593 52.121 -8.070 -2.116 356 HZ2 LYS 593 HZ2 LYS 593 51.259 -7.333 -3.376 357 HZ3 LYS 593 HZ3 LYS 593 52.846 -6.842 -3.029 358 H GLU 594 HN GLU 594 54.529 -7.132 -9.809 359 HA GLU 594 HA GLU 594 56.932 -7.954 -8.675 360 HB2 GLU 594 HB2 GLU 594 55.877 -8.919 -10.700 361 HB3 GLU 594 HB3 GLU 594 56.318 -7.472 -11.598 362 HG2 GLU 594 HG2 GLU 594 58.696 -7.917 -11.194 363 HG3 GLU 594 HG3 GLU 594 58.280 -9.342 -10.244 364 H GLU 595 HN GLU 595 56.201 -5.011 -10.611 365 HA GLU 595 HA GLU 595 58.897 -4.169 -10.818 366 HB2 GLU 595 HB2 GLU 595 58.132 -2.233 -11.778 367 HB3 GLU 595 HB3 GLU 595 56.715 -3.243 -11.998 368 HG2 GLU 595 HG2 GLU 595 55.796 -2.208 -9.846 369 HG3 GLU 595 HG3 GLU 595 57.138 -1.083 -9.915 370 H TRP 596 HN TRP 596 56.406 -3.419 -8.420 371 HA TRP 596 HA TRP 596 57.954 -1.674 -6.825 372 HB2 TRP 596 HB2 TRP 596 55.608 -3.442 -6.142 373 HB3 TRP 596 HB3 TRP 596 56.377 -2.395 -4.955 374 HD1 TRP 596 HD1 TRP 596 53.875 -2.385 -7.719 375 HE1 TRP 596 HE1 TRP 596 53.002 0.010 -8.094 376 HE3 TRP 596 HE3 TRP 596 57.246 0.226 -4.923 377 HZ2 TRP 596 HZ2 TRP 596 53.645 2.676 -7.314 378 HZ3 TRP 596 HZ3 TRP 596 57.092 2.693 -4.750 379 HH2 TRP 596 HH2 TRP 596 55.295 3.922 -5.941 380 H ASP 597 HN ASP 597 57.590 -5.194 -6.786 381 HA ASP 597 HA ASP 597 59.016 -5.758 -4.419 382 HB2 ASP 597 HB2 ASP 597 57.618 -7.416 -5.572 383 HB3 ASP 597 HB3 ASP 597 58.715 -7.400 -6.948 384 H ARG 598 HN ARG 598 60.053 -5.367 -7.783 385 HA ARG 598 HA ARG 598 62.765 -6.074 -7.447 386 HB2 ARG 598 HB2 ARG 598 61.385 -4.292 -9.462 387 HB3 ARG 598 HB3 ARG 598 63.102 -4.676 -9.539 388 HG2 ARG 598 HG2 ARG 598 62.588 -7.073 -9.698 389 HG3 ARG 598 HG3 ARG 598 60.864 -6.727 -9.553 390 HD2 ARG 598 HD2 ARG 598 61.421 -7.040 -11.913 391 HD3 ARG 598 HD3 ARG 598 60.989 -5.357 -11.629 392 HE ARG 598 HE ARG 598 63.208 -4.737 -12.043 393 HH11 ARG 598 HH11 ARG 598 62.938 -8.236 -11.954 394 HH12 ARG 598 HH12 ARG 598 64.523 -8.485 -12.605 395 HH21 ARG 598 HH21 ARG 598 65.256 -5.107 -12.872 396 HH22 ARG 598 HH22 ARG 598 65.827 -6.724 -13.121 397 H LYS 599 HN LYS 599 61.072 -2.952 -7.126 398 HA LYS 599 HA LYS 599 63.326 -1.278 -6.828 399 HB2 LYS 599 HB2 LYS 599 60.960 -0.494 -7.156 400 HB3 LYS 599 HB3 LYS 599 60.622 -0.954 -5.492 401 HG2 LYS 599 HG2 LYS 599 62.236 0.675 -4.659 402 HG3 LYS 599 HG3 LYS 599 62.734 1.071 -6.307 403 HD2 LYS 599 HD2 LYS 599 60.435 1.852 -6.809 404 HD3 LYS 599 HD3 LYS 599 59.956 1.487 -5.152 405 HE2 LYS 599 HE2 LYS 599 61.573 3.128 -4.301 406 HE3 LYS 599 HE3 LYS 599 62.117 3.466 -5.942 407 HZ1 LYS 599 HZ1 LYS 599 59.737 4.095 -6.417 408 HZ2 LYS 599 HZ2 LYS 599 60.589 5.150 -5.396 409 HZ3 LYS 599 HZ3 LYS 599 59.469 4.053 -4.744 410 H ALA 600 HN ALA 600 61.473 -3.187 -4.507 411 HA ALA 600 HA ALA 600 62.768 -2.296 -2.161 412 HB1 ALA 600 HB1 ALA 600 61.699 -5.082 -2.412 413 HB2 ALA 600 HB2 ALA 600 60.587 -3.716 -2.505 414 HB3 ALA 600 HB3 ALA 600 61.574 -3.953 -1.063 415 H GLU 601 HN GLU 601 63.470 -4.934 -4.434 416 HA GLU 601 HA GLU 601 65.554 -6.131 -2.923 417 HB2 GLU 601 HB2 GLU 601 64.995 -6.146 -5.891 418 HB3 GLU 601 HB3 GLU 601 66.260 -7.102 -5.128 419 HG2 GLU 601 HG2 GLU 601 64.597 -8.263 -3.754 420 HG3 GLU 601 HG3 GLU 601 63.312 -7.271 -4.439 421 H ASP 602 HN ASP 602 65.521 -3.564 -5.383 422 HA ASP 602 HA ASP 602 68.318 -3.323 -5.706 423 HB2 ASP 602 HB2 ASP 602 66.564 -2.289 -7.193 424 HB3 ASP 602 HB3 ASP 602 66.301 -1.080 -5.938 425 H ALA 603 HN ALA 603 66.049 -1.824 -3.440 426 HA ALA 603 HA ALA 603 67.873 -0.039 -2.229 427 HB1 ALA 603 HB1 ALA 603 65.343 -1.344 -1.222 428 HB2 ALA 603 HB2 ALA 603 65.546 0.300 -1.829 429 HB3 ALA 603 HB3 ALA 603 66.252 -0.162 -0.281 430 H ARG 604 HN ARG 604 66.959 -3.397 -1.500 431 HA ARG 604 HA ARG 604 68.514 -3.677 0.854 432 HB2 ARG 604 HB2 ARG 604 67.488 -5.709 -1.137 433 HB3 ARG 604 HB3 ARG 604 68.366 -6.157 0.323 434 HG2 ARG 604 HG2 ARG 604 66.657 -5.053 1.713 435 HG3 ARG 604 HG3 ARG 604 65.781 -4.562 0.261 436 HD2 ARG 604 HD2 ARG 604 65.453 -6.926 -0.353 437 HD3 ARG 604 HD3 ARG 604 66.350 -7.432 1.073 438 HE ARG 604 HE ARG 604 64.225 -5.807 1.934 439 HH11 ARG 604 HH11 ARG 604 64.662 -8.907 0.356 440 HH12 ARG 604 HH12 ARG 604 63.210 -9.581 1.013 441 HH21 ARG 604 HH21 ARG 604 62.352 -6.741 2.800 442 HH22 ARG 604 HH22 ARG 604 61.912 -8.365 2.385 443 H ARG 605 HN ARG 605 69.205 -4.286 -2.583 444 HA ARG 605 HA ARG 605 71.797 -5.393 -2.243 445 HB2 ARG 605 HB2 ARG 605 70.533 -3.914 -4.561 446 HB3 ARG 605 HB3 ARG 605 72.143 -4.622 -4.634 447 HG2 ARG 605 HG2 ARG 605 71.206 -6.850 -4.171 448 HG3 ARG 605 HG3 ARG 605 69.587 -6.153 -4.053 449 HD2 ARG 605 HD2 ARG 605 69.769 -5.359 -6.392 450 HD3 ARG 605 HD3 ARG 605 71.364 -6.088 -6.511 451 HE ARG 605 HE ARG 605 68.796 -7.492 -6.486 452 HH11 ARG 605 HH11 ARG 605 72.292 -7.760 -6.351 453 HH12 ARG 605 HH12 ARG 605 72.294 -9.423 -6.826 454 HH21 ARG 605 HH21 ARG 605 68.849 -9.643 -7.123 455 HH22 ARG 605 HH22 ARG 605 70.357 -10.481 -7.259 456 H ASP 606 HN ASP 606 70.611 -2.087 -2.682 457 HA ASP 606 HA ASP 606 73.113 -0.804 -2.920 458 HB2 ASP 606 HB2 ASP 606 70.338 0.080 -2.238 459 HB3 ASP 606 HB3 ASP 606 71.674 1.197 -1.982 460 H TYR 607 HN TYR 607 71.117 -1.583 -0.084 461 HA TYR 607 HA TYR 607 72.615 -0.153 1.849 462 HB2 TYR 607 HB2 TYR 607 70.306 -1.273 2.107 463 HB3 TYR 607 HB3 TYR 607 71.200 -2.763 2.389 464 HD1 TYR 607 HD1 TYR 607 72.749 -2.944 4.386 465 HD2 TYR 607 HD2 TYR 607 70.183 0.459 3.776 466 HE1 TYR 607 HE1 TYR 607 73.013 -2.310 6.766 467 HE2 TYR 607 HE2 TYR 607 70.463 1.089 6.159 468 HH TYR 607 HH TYR 607 72.633 0.411 7.997 469 H GLU 608 HN GLU 608 72.808 -3.472 0.643 470 HA GLU 608 HA GLU 608 74.821 -4.480 2.301 471 HB2 GLU 608 HB2 GLU 608 73.413 -5.793 0.718 472 HB3 GLU 608 HB3 GLU 608 74.321 -5.101 -0.621 473 HG2 GLU 608 HG2 GLU 608 76.384 -6.131 0.207 474 HG3 GLU 608 HG3 GLU 608 75.526 -6.769 1.608 475 H LYS 609 HN LYS 609 75.013 -2.632 -0.725 476 HA LYS 609 HA LYS 609 77.804 -2.772 -1.107 477 HB2 LYS 609 HB2 LYS 609 75.826 -0.620 -1.891 478 HB3 LYS 609 HB3 LYS 609 77.493 -0.686 -2.451 479 HG2 LYS 609 HG2 LYS 609 75.513 -2.940 -2.878 480 HG3 LYS 609 HG3 LYS 609 75.790 -1.660 -4.055 481 HD2 LYS 609 HD2 LYS 609 78.178 -2.292 -4.177 482 HD3 LYS 609 HD3 LYS 609 77.886 -3.586 -3.016 483 HE2 LYS 609 HE2 LYS 609 76.291 -4.641 -4.550 484 HE3 LYS 609 HE3 LYS 609 76.521 -3.334 -5.708 485 HZ1 LYS 609 HZ1 LYS 609 79.041 -4.346 -5.046 486 HZ2 LYS 609 HZ2 LYS 609 78.233 -4.435 -6.535 487 HZ3 LYS 609 HZ3 LYS 609 78.041 -5.671 -5.388 488 H ALA 610 HN ALA 610 75.778 -0.446 0.658 489 HA ALA 610 HA ALA 610 77.897 1.298 1.419 490 HB1 ALA 610 HB1 ALA 610 75.659 2.142 1.496 491 HB2 ALA 610 HB2 ALA 610 76.255 2.086 3.157 492 HB3 ALA 610 HB3 ALA 610 75.148 0.842 2.574 493 H MET 611 HN MET 611 76.395 -1.521 2.908 494 HA MET 611 HA MET 611 77.639 -1.336 5.429 495 HB2 MET 611 HB2 MET 611 76.572 -3.689 3.859 496 HB3 MET 611 HB3 MET 611 77.172 -3.834 5.508 497 HG2 MET 611 HG2 MET 611 74.858 -2.101 4.595 498 HG3 MET 611 HG3 MET 611 74.725 -3.591 5.513 499 HE1 MET 611 HE1 MET 611 76.739 -3.691 7.551 500 HE2 MET 611 HE2 MET 611 75.083 -3.744 8.148 501 HE3 MET 611 HE3 MET 611 76.263 -2.695 8.937 502 H LYS 612 HN LYS 612 78.613 -2.842 2.365 503 HA LYS 612 HA LYS 612 80.906 -4.184 3.332 504 HB2 LYS 612 HB2 LYS 612 80.168 -3.171 0.590 505 HB3 LYS 612 HB3 LYS 612 81.663 -4.046 0.905 506 HG2 LYS 612 HG2 LYS 612 80.298 -5.929 1.853 507 HG3 LYS 612 HG3 LYS 612 78.845 -5.066 1.362 508 HD2 LYS 612 HD2 LYS 612 81.045 -5.764 -0.593 509 HD3 LYS 612 HD3 LYS 612 79.686 -6.842 -0.279 510 HE2 LYS 612 HE2 LYS 612 78.163 -4.872 -0.841 511 HE3 LYS 612 HE3 LYS 612 79.603 -4.043 -1.429 512 HZ1 LYS 612 HZ1 LYS 612 79.378 -6.705 -2.461 513 HZ2 LYS 612 HZ2 LYS 612 79.597 -5.240 -3.287 514 HZ3 LYS 612 HZ3 LYS 612 78.036 -5.753 -2.863 515 H GLU 613 HN GLU 613 80.478 -0.907 1.983 516 HA GLU 613 HA GLU 613 83.293 -0.281 2.199 517 HB2 GLU 613 HB2 GLU 613 80.890 1.475 1.664 518 HB3 GLU 613 HB3 GLU 613 82.545 2.071 1.723 519 HG2 GLU 613 HG2 GLU 613 83.180 0.603 -0.131 520 HG3 GLU 613 HG3 GLU 613 81.561 -0.089 -0.167 521 H TYR 614 HN TYR 614 80.426 0.129 4.174 522 HA TYR 614 HA TYR 614 81.357 2.065 5.989 523 HB2 TYR 614 HB2 TYR 614 79.000 1.431 5.881 524 HB3 TYR 614 HB3 TYR 614 79.388 -0.212 6.377 525 HD1 TYR 614 HD1 TYR 614 79.775 3.344 7.539 526 HD2 TYR 614 HD2 TYR 614 79.257 -0.774 8.656 527 HE1 TYR 614 HE1 TYR 614 79.520 4.018 9.918 528 HE2 TYR 614 HE2 TYR 614 79.001 -0.103 11.026 529 HH TYR 614 HH TYR 614 78.251 2.040 12.257 530 H GLU 615 HN GLU 615 81.531 -1.476 6.028 531 HA GLU 615 HA GLU 615 82.825 -1.782 8.511 532 HB2 GLU 615 HB2 GLU 615 81.713 -3.612 7.267 533 HB3 GLU 615 HB3 GLU 615 82.986 -3.543 6.052 534 HG2 GLU 615 HG2 GLU 615 84.664 -4.139 7.753 535 HG3 GLU 615 HG3 GLU 615 83.411 -4.172 8.990 536 H GLY 616 HN GLY 616 84.079 -1.347 5.228 537 HA2 GLY 616 HA2 GLY 616 86.810 -1.761 5.775 538 HA3 GLY 616 HA3 GLY 616 86.169 -0.833 4.425 539 H GLY 617 HN GLY 617 84.792 1.143 5.955 540 HA2 GLY 617 HA2 GLY 617 87.018 2.883 6.568 541 HA3 GLY 617 HA3 GLY 617 85.312 3.321 6.582 Start of MODEL 5 1 H MET 551 HT1 MET 551 55.043 -8.902 -1.487 2 HA MET 551 HA MET 551 53.279 -8.681 0.392 3 HB2 MET 551 HB2 MET 551 55.712 -9.838 1.794 4 HB3 MET 551 HB3 MET 551 54.419 -8.969 2.623 5 HG2 MET 551 HG2 MET 551 52.777 -10.632 1.741 6 HG3 MET 551 HG3 MET 551 54.113 -11.541 1.030 7 HE1 MET 551 HE1 MET 551 55.725 -13.039 2.244 8 HE2 MET 551 HE2 MET 551 56.075 -12.983 3.970 9 HE3 MET 551 HE3 MET 551 56.463 -11.597 2.953 10 H SER 552 HN SER 552 56.789 -8.267 0.038 11 HA SER 552 HA SER 552 56.983 -5.726 1.256 12 HB2 SER 552 HB2 SER 552 58.696 -7.113 -0.793 13 HB3 SER 552 HB3 SER 552 59.094 -5.525 -0.136 14 HG SER 552 HG SER 552 58.883 -8.014 1.184 15 H ALA 553 HN ALA 553 56.239 -6.714 -2.046 16 HA ALA 553 HA ALA 553 56.435 -4.206 -3.307 17 HB1 ALA 553 HB1 ALA 553 56.179 -6.020 -4.781 18 HB2 ALA 553 HB2 ALA 553 54.590 -5.258 -4.832 19 HB3 ALA 553 HB3 ALA 553 54.839 -6.706 -3.857 20 H TYR 554 HN TYR 554 53.837 -5.766 -1.543 21 HA TYR 554 HA TYR 554 51.772 -3.906 -2.019 22 HB2 TYR 554 HB2 TYR 554 51.380 -6.169 -1.175 23 HB3 TYR 554 HB3 TYR 554 52.294 -5.813 0.280 24 HD1 TYR 554 HD1 TYR 554 51.328 -4.601 2.120 25 HD2 TYR 554 HD2 TYR 554 49.168 -5.076 -1.571 26 HE1 TYR 554 HE1 TYR 554 49.249 -3.826 3.237 27 HE2 TYR 554 HE2 TYR 554 47.091 -4.292 -0.454 28 HH TYR 554 HH TYR 554 46.582 -4.274 2.670 29 H MET 555 HN MET 555 54.218 -4.170 0.572 30 HA MET 555 HA MET 555 53.285 -2.039 2.161 31 HB2 MET 555 HB2 MET 555 56.156 -2.965 1.865 32 HB3 MET 555 HB3 MET 555 55.498 -2.033 3.206 33 HG2 MET 555 HG2 MET 555 53.868 -3.985 3.578 34 HG3 MET 555 HG3 MET 555 54.882 -4.913 2.475 35 HE1 MET 555 HE1 MET 555 57.571 -5.731 3.219 36 HE2 MET 555 HE2 MET 555 58.406 -4.601 4.277 37 HE3 MET 555 HE3 MET 555 57.636 -4.011 2.808 38 H LEU 556 HN LEU 556 55.755 -2.080 -0.436 39 HA LEU 556 HA LEU 556 56.447 0.665 -0.257 40 HB2 LEU 556 HB2 LEU 556 56.581 -1.188 -2.659 41 HB3 LEU 556 HB3 LEU 556 57.371 0.380 -2.542 42 HG LEU 556 HG LEU 556 57.934 -2.007 -0.741 43 HD11 LEU 556 HD11 LEU 556 59.332 -0.832 -3.156 44 HD12 LEU 556 HD12 LEU 556 58.834 -2.501 -2.883 45 HD13 LEU 556 HD13 LEU 556 60.198 -1.832 -1.988 46 HD21 LEU 556 HD21 LEU 556 59.084 0.798 -0.865 47 HD22 LEU 556 HD22 LEU 556 59.992 -0.543 -0.163 48 HD23 LEU 556 HD23 LEU 556 58.450 -0.058 0.543 49 H TRP 557 HN TRP 557 54.139 -1.081 -2.283 50 HA TRP 557 HA TRP 557 53.211 1.068 -3.861 51 HB2 TRP 557 HB2 TRP 557 52.857 -1.241 -4.488 52 HB3 TRP 557 HB3 TRP 557 51.984 -1.562 -3.003 53 HD1 TRP 557 HD1 TRP 557 51.471 -0.577 -6.553 54 HE1 TRP 557 HE1 TRP 557 48.968 -0.115 -6.963 55 HE3 TRP 557 HE3 TRP 557 49.797 -0.303 -1.739 56 HZ2 TRP 557 HZ2 TRP 557 46.583 0.294 -5.463 57 HZ3 TRP 557 HZ3 TRP 557 47.428 0.138 -1.265 58 HH2 TRP 557 HH2 TRP 557 45.799 0.436 -3.111 59 H LEU 558 HN LEU 558 52.122 -0.256 -0.762 60 HA LEU 558 HA LEU 558 49.778 1.273 -0.438 61 HB2 LEU 558 HB2 LEU 558 50.741 -0.767 0.915 62 HB3 LEU 558 HB3 LEU 558 51.489 0.475 1.905 63 HG LEU 558 HG LEU 558 48.510 0.148 1.363 64 HD11 LEU 558 HD11 LEU 558 49.673 -1.500 2.915 65 HD12 LEU 558 HD12 LEU 558 48.369 -0.576 3.661 66 HD13 LEU 558 HD13 LEU 558 50.050 -0.131 3.960 67 HD21 LEU 558 HD21 LEU 558 48.396 1.889 3.302 68 HD22 LEU 558 HD22 LEU 558 48.788 2.488 1.693 69 HD23 LEU 558 HD23 LEU 558 50.069 2.256 2.883 70 H ASN 559 HN ASN 559 53.165 1.917 0.483 71 HA ASN 559 HA ASN 559 52.687 4.248 1.983 72 HB2 ASN 559 HB2 ASN 559 55.067 3.278 0.417 73 HB3 ASN 559 HB3 ASN 559 55.090 4.824 1.257 74 HD21 ASN 559 HD21 ASN 559 56.840 2.707 1.968 75 HD22 ASN 559 HD22 ASN 559 56.428 2.157 3.522 76 H ALA 560 HN ALA 560 53.419 3.829 -1.471 77 HA ALA 560 HA ALA 560 53.305 6.630 -2.062 78 HB1 ALA 560 HB1 ALA 560 53.354 4.125 -3.728 79 HB2 ALA 560 HB2 ALA 560 54.600 5.360 -3.553 80 HB3 ALA 560 HB3 ALA 560 53.133 5.711 -4.466 81 H SER 561 HN SER 561 51.047 3.943 -2.315 82 HA SER 561 HA SER 561 48.983 5.420 -3.621 83 HB2 SER 561 HB2 SER 561 49.056 2.728 -2.275 84 HB3 SER 561 HB3 SER 561 47.571 3.401 -2.947 85 HG SER 561 HG SER 561 48.488 3.414 -4.949 86 H ARG 562 HN ARG 562 49.837 4.974 -0.266 87 HA ARG 562 HA ARG 562 47.399 5.356 1.014 88 HB2 ARG 562 HB2 ARG 562 49.492 4.736 2.167 89 HB3 ARG 562 HB3 ARG 562 50.125 6.357 1.890 90 HG2 ARG 562 HG2 ARG 562 48.242 7.290 3.237 91 HG3 ARG 562 HG3 ARG 562 47.667 5.648 3.541 92 HD2 ARG 562 HD2 ARG 562 49.903 5.116 4.556 93 HD3 ARG 562 HD3 ARG 562 50.340 6.815 4.386 94 HE ARG 562 HE ARG 562 47.857 6.394 5.818 95 HH11 ARG 562 HH11 ARG 562 51.339 6.582 6.141 96 HH12 ARG 562 HH12 ARG 562 51.279 7.026 7.813 97 HH21 ARG 562 HH21 ARG 562 47.824 6.993 7.989 98 HH22 ARG 562 HH22 ARG 562 49.302 7.261 8.851 99 H GLU 563 HN GLU 563 49.694 7.839 -0.137 100 HA GLU 563 HA GLU 563 48.228 10.072 0.823 101 HB2 GLU 563 HB2 GLU 563 50.616 10.157 0.185 102 HB3 GLU 563 HB3 GLU 563 50.169 9.894 -1.498 103 HG2 GLU 563 HG2 GLU 563 48.871 12.007 -1.485 104 HG3 GLU 563 HG3 GLU 563 49.313 12.269 0.200 105 H LYS 564 HN LYS 564 48.288 8.392 -2.298 106 HA LYS 564 HA LYS 564 46.501 10.112 -3.665 107 HB2 LYS 564 HB2 LYS 564 47.152 7.184 -4.091 108 HB3 LYS 564 HB3 LYS 564 46.156 8.136 -5.188 109 HG2 LYS 564 HG2 LYS 564 48.043 9.693 -5.567 110 HG3 LYS 564 HG3 LYS 564 49.047 8.744 -4.465 111 HD2 LYS 564 HD2 LYS 564 48.782 6.758 -5.932 112 HD3 LYS 564 HD3 LYS 564 47.800 7.715 -7.044 113 HE2 LYS 564 HE2 LYS 564 49.710 9.251 -7.407 114 HE3 LYS 564 HE3 LYS 564 50.692 8.287 -6.308 115 HZ1 LYS 564 HZ1 LYS 564 51.286 7.377 -8.292 116 HZ2 LYS 564 HZ2 LYS 564 49.782 7.667 -9.024 117 HZ3 LYS 564 HZ3 LYS 564 49.964 6.377 -7.933 118 H ILE 565 HN ILE 565 45.974 7.110 -1.826 119 HA ILE 565 HA ILE 565 43.197 6.906 -2.315 120 HB ILE 565 HB ILE 565 44.898 5.778 -0.058 121 HG12 ILE 565 HG12 ILE 565 43.676 4.387 -2.467 122 HG13 ILE 565 HG13 ILE 565 45.301 5.063 -2.495 123 HG21 ILE 565 HG21 ILE 565 42.021 5.176 -0.859 124 HG22 ILE 565 HG22 ILE 565 42.542 5.905 0.654 125 HG23 ILE 565 HG23 ILE 565 42.952 4.227 0.301 126 HD11 ILE 565 HD11 ILE 565 45.660 3.624 -0.319 127 HD12 ILE 565 HD12 ILE 565 45.709 2.825 -1.890 128 HD13 ILE 565 HD13 ILE 565 44.255 2.727 -0.898 129 H LYS 566 HN LYS 566 45.047 8.374 0.357 130 HA LYS 566 HA LYS 566 42.833 9.099 1.946 131 HB2 LYS 566 HB2 LYS 566 45.336 9.079 2.565 132 HB3 LYS 566 HB3 LYS 566 45.397 10.685 1.839 133 HG2 LYS 566 HG2 LYS 566 43.709 11.512 3.402 134 HG3 LYS 566 HG3 LYS 566 43.476 9.889 4.062 135 HD2 LYS 566 HD2 LYS 566 45.877 9.868 4.763 136 HD3 LYS 566 HD3 LYS 566 46.028 11.535 4.210 137 HE2 LYS 566 HE2 LYS 566 44.125 10.569 6.376 138 HE3 LYS 566 HE3 LYS 566 45.639 11.425 6.656 139 HZ1 LYS 566 HZ1 LYS 566 43.299 12.485 5.163 140 HZ2 LYS 566 HZ2 LYS 566 44.762 13.308 5.417 141 HZ3 LYS 566 HZ3 LYS 566 43.760 12.928 6.733 142 H SER 567 HN SER 567 44.565 10.842 -0.618 143 HA SER 567 HA SER 567 43.185 13.294 -0.370 144 HB2 SER 567 HB2 SER 567 44.416 12.078 -2.852 145 HB3 SER 567 HB3 SER 567 43.988 13.772 -2.631 146 HG SER 567 HG SER 567 45.730 12.393 -0.871 147 H ASP 568 HN ASP 568 42.508 10.380 -2.271 148 HA ASP 568 HA ASP 568 40.167 11.508 -3.542 149 HB2 ASP 568 HB2 ASP 568 41.314 8.720 -3.434 150 HB3 ASP 568 HB3 ASP 568 39.823 9.109 -4.285 151 H HIS 569 HN HIS 569 40.827 9.781 -0.596 152 HA HIS 569 HA HIS 569 37.916 9.579 -0.085 153 HB2 HIS 569 HB2 HIS 569 40.030 7.741 1.071 154 HB3 HIS 569 HB3 HIS 569 38.288 7.626 1.299 155 HD2 HIS 569 HD2 HIS 569 40.497 7.714 -2.033 156 HE1 HIS 569 HE1 HIS 569 37.685 4.580 -2.289 157 HE2 HIS 569 HE2 HIS 569 39.570 5.769 -3.515 158 HA PRO 570 HA PRO 570 39.907 12.431 3.010 159 HB2 PRO 570 HB2 PRO 570 37.855 14.233 3.114 160 HB3 PRO 570 HB3 PRO 570 39.153 14.312 1.906 161 HG2 PRO 570 HG2 PRO 570 36.391 13.218 1.641 162 HG3 PRO 570 HG3 PRO 570 37.319 14.226 0.515 163 HD2 PRO 570 HD2 PRO 570 37.075 11.543 0.179 164 HD3 PRO 570 HD3 PRO 570 38.538 12.429 -0.306 165 H GLY 571 HN GLY 571 39.570 12.381 5.188 166 HA2 GLY 571 HA2 GLY 571 38.573 11.970 7.228 167 HA3 GLY 571 HA3 GLY 571 37.020 11.970 6.406 168 H ILE 572 HN ILE 572 39.398 9.774 5.154 169 HA ILE 572 HA ILE 572 37.788 7.548 6.122 170 HB ILE 572 HB ILE 572 38.440 7.611 3.731 171 HG12 ILE 572 HG12 ILE 572 39.802 5.296 5.130 172 HG13 ILE 572 HG13 ILE 572 38.049 5.479 5.125 173 HG21 ILE 572 HG21 ILE 572 41.254 6.985 4.636 174 HG22 ILE 572 HG22 ILE 572 40.749 8.628 4.247 175 HG23 ILE 572 HG23 ILE 572 40.695 7.370 3.010 176 HD11 ILE 572 HD11 ILE 572 38.063 5.486 2.645 177 HD12 ILE 572 HD12 ILE 572 38.756 4.001 3.295 178 HD13 ILE 572 HD13 ILE 572 39.812 5.263 2.663 179 H SER 573 HN SER 573 38.410 6.056 7.558 180 HA SER 573 HA SER 573 40.469 6.725 9.414 181 HB2 SER 573 HB2 SER 573 38.589 4.402 9.100 182 HB3 SER 573 HB3 SER 573 39.885 4.353 10.296 183 HG SER 573 HG SER 573 38.544 5.473 11.468 184 H ILE 574 HN ILE 574 42.204 5.285 10.067 185 HA ILE 574 HA ILE 574 43.960 4.622 7.947 186 HB ILE 574 HB ILE 574 44.094 3.719 10.845 187 HG12 ILE 574 HG12 ILE 574 45.393 6.143 9.550 188 HG13 ILE 574 HG13 ILE 574 43.878 6.228 10.442 189 HG21 ILE 574 HG21 ILE 574 46.623 3.796 10.250 190 HG22 ILE 574 HG22 ILE 574 46.088 3.769 8.569 191 HG23 ILE 574 HG23 ILE 574 45.683 2.432 9.644 192 HD11 ILE 574 HD11 ILE 574 45.894 6.824 11.823 193 HD12 ILE 574 HD12 ILE 574 46.469 5.171 11.620 194 HD13 ILE 574 HD13 ILE 574 44.962 5.480 12.484 195 H THR 575 HN THR 575 41.927 2.650 10.055 196 HA THR 575 HA THR 575 42.720 0.114 9.127 197 HB THR 575 HB THR 575 39.964 0.857 10.113 198 HG1 THR 575 HG3 THR 575 42.356 0.341 11.540 199 HG21 THR 575 HG21 THR 575 41.627 -1.663 10.381 200 HG22 THR 575 HG22 THR 575 40.295 -1.443 9.244 201 HG23 THR 575 HG23 THR 575 39.983 -1.432 10.980 202 H ASP 576 HN ASP 576 40.157 2.334 8.073 203 HA ASP 576 HA ASP 576 39.042 0.644 6.082 204 HB2 ASP 576 HB2 ASP 576 38.944 3.585 6.651 205 HB3 ASP 576 HB3 ASP 576 38.336 2.985 5.111 206 H LEU 577 HN LEU 577 41.693 2.974 6.075 207 HA LEU 577 HA LEU 577 42.115 3.197 3.302 208 HB2 LEU 577 HB2 LEU 577 43.958 3.448 5.675 209 HB3 LEU 577 HB3 LEU 577 44.571 3.596 4.037 210 HG LEU 577 HG LEU 577 42.342 5.298 5.201 211 HD11 LEU 577 HD11 LEU 577 44.626 5.620 6.226 212 HD12 LEU 577 HD12 LEU 577 44.025 7.048 5.382 213 HD13 LEU 577 HD13 LEU 577 45.229 6.010 4.617 214 HD21 LEU 577 HD21 LEU 577 42.940 6.737 3.174 215 HD22 LEU 577 HD22 LEU 577 42.131 5.217 2.794 216 HD23 LEU 577 HD23 LEU 577 43.875 5.364 2.582 217 H SER 578 HN SER 578 43.322 0.859 5.686 218 HA SER 578 HA SER 578 45.135 -0.515 4.041 219 HB2 SER 578 HB2 SER 578 45.241 -0.968 6.356 220 HB3 SER 578 HB3 SER 578 43.521 -1.335 6.451 221 HG SER 578 HG SER 578 45.080 -3.158 6.380 222 H LYS 579 HN LYS 579 41.660 -1.019 4.607 223 HA LYS 579 HA LYS 579 41.382 -3.314 2.948 224 HB2 LYS 579 HB2 LYS 579 39.371 -1.207 3.781 225 HB3 LYS 579 HB3 LYS 579 38.952 -2.660 2.877 226 HG2 LYS 579 HG2 LYS 579 39.832 -4.066 4.712 227 HG3 LYS 579 HG3 LYS 579 40.247 -2.611 5.624 228 HD2 LYS 579 HD2 LYS 579 37.870 -1.928 5.634 229 HD3 LYS 579 HD3 LYS 579 37.448 -3.383 4.728 230 HE2 LYS 579 HE2 LYS 579 38.294 -4.789 6.567 231 HE3 LYS 579 HE3 LYS 579 38.736 -3.345 7.475 232 HZ1 LYS 579 HZ1 LYS 579 36.339 -2.690 7.322 233 HZ2 LYS 579 HZ2 LYS 579 36.647 -4.059 8.279 234 HZ3 LYS 579 HZ3 LYS 579 36.013 -4.238 6.713 235 H LYS 580 HN LYS 580 41.095 0.172 2.369 236 HA LYS 580 HA LYS 580 40.140 0.127 -0.283 237 HB2 LYS 580 HB2 LYS 580 41.897 2.117 1.182 238 HB3 LYS 580 HB3 LYS 580 41.247 2.400 -0.430 239 HG2 LYS 580 HG2 LYS 580 39.454 1.695 1.898 240 HG3 LYS 580 HG3 LYS 580 39.910 3.358 1.539 241 HD2 LYS 580 HD2 LYS 580 38.984 3.125 -0.734 242 HD3 LYS 580 HD3 LYS 580 38.508 1.463 -0.367 243 HE2 LYS 580 HE2 LYS 580 37.067 2.297 1.477 244 HE3 LYS 580 HE3 LYS 580 37.529 3.951 1.076 245 HZ1 LYS 580 HZ1 LYS 580 36.711 2.993 -1.304 246 HZ2 LYS 580 HZ2 LYS 580 35.740 3.888 -0.239 247 HZ3 LYS 580 HZ3 LYS 580 35.662 2.191 -0.241 248 H ALA 581 HN ALA 581 43.419 0.128 1.045 249 HA ALA 581 HA ALA 581 44.841 0.302 -1.382 250 HB1 ALA 581 HB1 ALA 581 46.118 0.684 0.542 251 HB2 ALA 581 HB2 ALA 581 46.622 -0.943 0.077 252 HB3 ALA 581 HB3 ALA 581 45.455 -0.720 1.378 253 H GLY 582 HN GLY 582 43.619 -2.452 0.475 254 HA2 GLY 582 HA2 GLY 582 44.766 -4.504 -1.088 255 HA3 GLY 582 HA3 GLY 582 43.350 -4.668 -0.053 256 H GLU 583 HN GLU 583 41.654 -2.783 -1.299 257 HA GLU 583 HA GLU 583 40.514 -4.364 -3.337 258 HB2 GLU 583 HB2 GLU 583 40.034 -1.472 -2.597 259 HB3 GLU 583 HB3 GLU 583 39.066 -2.357 -3.773 260 HG2 GLU 583 HG2 GLU 583 38.424 -3.994 -2.047 261 HG3 GLU 583 HG3 GLU 583 39.427 -3.160 -0.865 262 H ILE 584 HN ILE 584 42.463 -1.383 -3.514 263 HA ILE 584 HA ILE 584 42.271 -1.074 -6.323 264 HB ILE 584 HB ILE 584 44.491 -0.125 -4.467 265 HG12 ILE 584 HG12 ILE 584 42.053 1.379 -5.493 266 HG13 ILE 584 HG13 ILE 584 42.080 0.562 -3.935 267 HG21 ILE 584 HG21 ILE 584 45.194 -0.018 -6.807 268 HG22 ILE 584 HG22 ILE 584 44.769 1.615 -6.295 269 HG23 ILE 584 HG23 ILE 584 43.647 0.680 -7.284 270 HD11 ILE 584 HD11 ILE 584 42.613 2.927 -3.621 271 HD12 ILE 584 HD12 ILE 584 43.922 2.818 -4.799 272 HD13 ILE 584 HD13 ILE 584 44.042 1.955 -3.265 273 H TRP 585 HN TRP 585 44.700 -2.681 -4.286 274 HA TRP 585 HA TRP 585 46.496 -3.471 -6.297 275 HB2 TRP 585 HB2 TRP 585 45.949 -4.183 -3.496 276 HB3 TRP 585 HB3 TRP 585 46.462 -5.589 -4.422 277 HD1 TRP 585 HD1 TRP 585 47.940 -3.197 -2.340 278 HE1 TRP 585 HE1 TRP 585 50.402 -2.702 -2.974 279 HE3 TRP 585 HE3 TRP 585 48.011 -5.145 -7.012 280 HZ2 TRP 585 HZ2 TRP 585 52.162 -3.078 -5.235 281 HZ3 TRP 585 HZ3 TRP 585 50.061 -5.079 -8.400 282 HH2 TRP 585 HH2 TRP 585 52.124 -4.032 -7.504 283 H LYS 586 HN LYS 586 43.678 -5.138 -4.967 284 HA LYS 586 HA LYS 586 43.906 -7.534 -6.413 285 HB2 LYS 586 HB2 LYS 586 41.514 -6.118 -5.238 286 HB3 LYS 586 HB3 LYS 586 41.378 -7.685 -6.031 287 HG2 LYS 586 HG2 LYS 586 42.988 -8.656 -4.430 288 HG3 LYS 586 HG3 LYS 586 43.175 -7.087 -3.650 289 HD2 LYS 586 HD2 LYS 586 40.762 -7.077 -3.073 290 HD3 LYS 586 HD3 LYS 586 40.576 -8.652 -3.848 291 HE2 LYS 586 HE2 LYS 586 42.147 -9.653 -2.245 292 HE3 LYS 586 HE3 LYS 586 42.401 -8.083 -1.486 293 HZ1 LYS 586 HZ1 LYS 586 40.577 -8.356 -0.271 294 HZ2 LYS 586 HZ2 LYS 586 40.469 -9.947 -0.850 295 HZ3 LYS 586 HZ3 LYS 586 39.626 -8.698 -1.632 296 H GLY 587 HN GLY 587 42.362 -4.460 -7.309 297 HA2 GLY 587 HA2 GLY 587 41.262 -5.530 -9.770 298 HA3 GLY 587 HA3 GLY 587 41.231 -3.846 -9.258 299 H MET 588 HN MET 588 44.145 -3.783 -8.795 300 HA MET 588 HA MET 588 44.963 -3.024 -11.434 301 HB2 MET 588 HB2 MET 588 45.585 -1.810 -9.330 302 HB3 MET 588 HB3 MET 588 46.657 -3.155 -8.931 303 HG2 MET 588 HG2 MET 588 47.943 -2.791 -10.989 304 HG3 MET 588 HG3 MET 588 46.815 -1.530 -11.495 305 HE1 MET 588 HE1 MET 588 50.176 -1.564 -8.521 306 HE2 MET 588 HE2 MET 588 49.158 -2.893 -9.060 307 HE3 MET 588 HE3 MET 588 48.679 -1.948 -7.655 308 H SER 589 HN SER 589 46.811 -3.767 -12.546 309 HA SER 589 HA SER 589 46.909 -6.540 -12.946 310 HB2 SER 589 HB2 SER 589 49.069 -4.577 -13.722 311 HB3 SER 589 HB3 SER 589 48.655 -6.092 -14.521 312 HG SER 589 HG SER 589 46.661 -5.184 -15.085 313 H LYS 590 HN LYS 590 48.370 -8.107 -12.488 314 HA LYS 590 HA LYS 590 49.647 -8.154 -9.957 315 HB2 LYS 590 HB2 LYS 590 48.732 -10.131 -11.151 316 HB3 LYS 590 HB3 LYS 590 50.022 -9.994 -12.339 317 HG2 LYS 590 HG2 LYS 590 51.699 -10.330 -10.517 318 HG3 LYS 590 HG3 LYS 590 50.373 -10.542 -9.369 319 HD2 LYS 590 HD2 LYS 590 49.526 -12.458 -10.699 320 HD3 LYS 590 HD3 LYS 590 50.867 -12.254 -11.828 321 HE2 LYS 590 HE2 LYS 590 52.481 -12.685 -10.011 322 HE3 LYS 590 HE3 LYS 590 51.153 -12.868 -8.866 323 HZ1 LYS 590 HZ1 LYS 590 52.259 -14.905 -10.164 324 HZ2 LYS 590 HZ2 LYS 590 51.013 -14.526 -11.252 325 HZ3 LYS 590 HZ3 LYS 590 50.648 -14.908 -9.638 326 H GLU 591 HN GLU 591 50.813 -7.514 -13.208 327 HA GLU 591 HA GLU 591 53.565 -7.809 -12.914 328 HB2 GLU 591 HB2 GLU 591 52.032 -5.765 -14.543 329 HB3 GLU 591 HB3 GLU 591 53.757 -6.074 -14.712 330 HG2 GLU 591 HG2 GLU 591 51.581 -8.156 -15.113 331 HG3 GLU 591 HG3 GLU 591 52.388 -7.287 -16.411 332 H LYS 592 HN LYS 592 51.473 -5.172 -11.850 333 HA LYS 592 HA LYS 592 53.469 -3.247 -11.341 334 HB2 LYS 592 HB2 LYS 592 50.769 -3.701 -10.063 335 HB3 LYS 592 HB3 LYS 592 51.792 -2.321 -9.677 336 HG2 LYS 592 HG2 LYS 592 50.860 -2.984 -12.491 337 HG3 LYS 592 HG3 LYS 592 50.035 -1.847 -11.424 338 HD2 LYS 592 HD2 LYS 592 52.115 -0.500 -11.264 339 HD3 LYS 592 HD3 LYS 592 52.908 -1.606 -12.382 340 HE2 LYS 592 HE2 LYS 592 51.246 -1.072 -14.119 341 HE3 LYS 592 HE3 LYS 592 50.432 0.029 -13.006 342 HZ1 LYS 592 HZ1 LYS 592 52.187 0.932 -14.672 343 HZ2 LYS 592 HZ2 LYS 592 53.305 0.366 -13.525 344 HZ3 LYS 592 HZ3 LYS 592 52.147 1.529 -13.084 345 H LYS 593 HN LYS 593 52.252 -5.935 -9.383 346 HA LYS 593 HA LYS 593 53.545 -5.211 -6.955 347 HB2 LYS 593 HB2 LYS 593 51.727 -6.893 -7.208 348 HB3 LYS 593 HB3 LYS 593 52.891 -7.969 -7.980 349 HG2 LYS 593 HG2 LYS 593 54.270 -7.987 -5.951 350 HG3 LYS 593 HG3 LYS 593 53.158 -6.842 -5.177 351 HD2 LYS 593 HD2 LYS 593 51.317 -8.408 -5.440 352 HD3 LYS 593 HD3 LYS 593 52.393 -9.553 -6.239 353 HE2 LYS 593 HE2 LYS 593 52.126 -10.229 -3.923 354 HE3 LYS 593 HE3 LYS 593 53.768 -9.627 -4.143 355 HZ1 LYS 593 HZ1 LYS 593 53.270 -7.651 -3.053 356 HZ2 LYS 593 HZ2 LYS 593 52.448 -8.819 -2.134 357 HZ3 LYS 593 HZ3 LYS 593 51.595 -7.846 -3.233 358 H GLU 594 HN GLU 594 54.504 -7.151 -9.726 359 HA GLU 594 HA GLU 594 56.933 -8.142 -8.778 360 HB2 GLU 594 HB2 GLU 594 56.097 -7.379 -11.582 361 HB3 GLU 594 HB3 GLU 594 57.575 -8.256 -11.202 362 HG2 GLU 594 HG2 GLU 594 56.245 -10.070 -10.169 363 HG3 GLU 594 HG3 GLU 594 54.761 -9.189 -10.528 364 H GLU 595 HN GLU 595 56.208 -5.007 -10.410 365 HA GLU 595 HA GLU 595 58.943 -4.240 -10.552 366 HB2 GLU 595 HB2 GLU 595 58.193 -1.966 -11.003 367 HB3 GLU 595 HB3 GLU 595 57.294 -3.122 -11.969 368 HG2 GLU 595 HG2 GLU 595 55.343 -2.826 -10.725 369 HG3 GLU 595 HG3 GLU 595 56.163 -2.073 -9.368 370 H TRP 596 HN TRP 596 56.438 -3.609 -8.147 371 HA TRP 596 HA TRP 596 57.970 -1.923 -6.471 372 HB2 TRP 596 HB2 TRP 596 55.633 -3.742 -5.844 373 HB3 TRP 596 HB3 TRP 596 56.374 -2.669 -4.663 374 HD1 TRP 596 HD1 TRP 596 53.761 -2.719 -7.261 375 HE1 TRP 596 HE1 TRP 596 52.897 -0.337 -7.719 376 HE3 TRP 596 HE3 TRP 596 57.342 -0.023 -4.846 377 HZ2 TRP 596 HZ2 TRP 596 53.622 2.355 -7.115 378 HZ3 TRP 596 HZ3 TRP 596 57.234 2.452 -4.784 379 HH2 TRP 596 HH2 TRP 596 55.373 3.650 -5.918 380 H ASP 597 HN ASP 597 57.572 -5.449 -6.569 381 HA ASP 597 HA ASP 597 58.981 -6.111 -4.215 382 HB2 ASP 597 HB2 ASP 597 57.541 -7.633 -5.653 383 HB3 ASP 597 HB3 ASP 597 58.899 -7.735 -6.767 384 H ARG 598 HN ARG 598 60.035 -5.671 -7.573 385 HA ARG 598 HA ARG 598 62.751 -6.366 -7.224 386 HB2 ARG 598 HB2 ARG 598 61.375 -4.579 -9.239 387 HB3 ARG 598 HB3 ARG 598 63.098 -4.948 -9.303 388 HG2 ARG 598 HG2 ARG 598 62.613 -7.348 -9.491 389 HG3 ARG 598 HG3 ARG 598 60.883 -7.032 -9.339 390 HD2 ARG 598 HD2 ARG 598 61.422 -7.306 -11.705 391 HD3 ARG 598 HD3 ARG 598 61.005 -5.620 -11.409 392 HE ARG 598 HE ARG 598 63.816 -5.986 -11.143 393 HH11 ARG 598 HH11 ARG 598 61.312 -5.813 -13.593 394 HH12 ARG 598 HH12 ARG 598 62.397 -5.268 -14.827 395 HH21 ARG 598 HH21 ARG 598 65.189 -5.301 -12.772 396 HH22 ARG 598 HH22 ARG 598 64.583 -4.980 -14.362 397 H LYS 599 HN LYS 599 61.019 -3.267 -6.865 398 HA LYS 599 HA LYS 599 63.285 -1.598 -6.538 399 HB2 LYS 599 HB2 LYS 599 60.489 -1.332 -5.394 400 HB3 LYS 599 HB3 LYS 599 61.726 -0.088 -5.264 401 HG2 LYS 599 HG2 LYS 599 61.832 0.099 -7.722 402 HG3 LYS 599 HG3 LYS 599 60.620 -1.178 -7.878 403 HD2 LYS 599 HD2 LYS 599 59.030 0.204 -6.543 404 HD3 LYS 599 HD3 LYS 599 60.218 1.502 -6.503 405 HE2 LYS 599 HE2 LYS 599 58.973 0.340 -9.018 406 HE3 LYS 599 HE3 LYS 599 58.519 1.868 -8.272 407 HZ1 LYS 599 HZ1 LYS 599 60.005 2.433 -9.957 408 HZ2 LYS 599 HZ2 LYS 599 61.072 1.162 -9.594 409 HZ3 LYS 599 HZ3 LYS 599 60.945 2.496 -8.548 410 H ALA 600 HN ALA 600 61.312 -3.419 -4.223 411 HA ALA 600 HA ALA 600 62.619 -2.552 -1.873 412 HB1 ALA 600 HB1 ALA 600 60.388 -3.974 -2.337 413 HB2 ALA 600 HB2 ALA 600 61.223 -3.997 -0.784 414 HB3 ALA 600 HB3 ALA 600 61.484 -5.298 -1.946 415 H GLU 601 HN GLU 601 63.217 -5.268 -4.076 416 HA GLU 601 HA GLU 601 65.226 -6.523 -2.496 417 HB2 GLU 601 HB2 GLU 601 64.672 -6.634 -5.468 418 HB3 GLU 601 HB3 GLU 601 65.883 -7.624 -4.657 419 HG2 GLU 601 HG2 GLU 601 62.931 -7.605 -3.945 420 HG3 GLU 601 HG3 GLU 601 63.701 -8.812 -4.965 421 H ASP 602 HN ASP 602 65.329 -4.079 -5.089 422 HA ASP 602 HA ASP 602 68.151 -3.995 -5.348 423 HB2 ASP 602 HB2 ASP 602 65.927 -2.122 -6.071 424 HB3 ASP 602 HB3 ASP 602 67.589 -1.544 -6.134 425 H ALA 603 HN ALA 603 65.876 -2.256 -3.273 426 HA ALA 603 HA ALA 603 67.744 -0.444 -2.159 427 HB1 ALA 603 HB1 ALA 603 66.028 -0.401 -0.238 428 HB2 ALA 603 HB2 ALA 603 65.083 -1.510 -1.232 429 HB3 ALA 603 HB3 ALA 603 65.473 0.100 -1.835 430 H ARG 604 HN ARG 604 66.670 -3.688 -1.209 431 HA ARG 604 HA ARG 604 68.049 -3.878 1.247 432 HB2 ARG 604 HB2 ARG 604 66.265 -5.441 0.522 433 HB3 ARG 604 HB3 ARG 604 67.347 -6.091 -0.705 434 HG2 ARG 604 HG2 ARG 604 68.930 -6.811 1.075 435 HG3 ARG 604 HG3 ARG 604 67.829 -6.172 2.299 436 HD2 ARG 604 HD2 ARG 604 66.046 -7.707 1.436 437 HD3 ARG 604 HD3 ARG 604 67.222 -8.408 0.332 438 HE ARG 604 HE ARG 604 67.101 -8.791 3.236 439 HH11 ARG 604 HH11 ARG 604 68.896 -9.314 0.267 440 HH12 ARG 604 HH12 ARG 604 69.874 -10.568 0.944 441 HH21 ARG 604 HH21 ARG 604 68.414 -10.413 4.080 442 HH22 ARG 604 HH22 ARG 604 69.605 -11.186 3.087 443 H ARG 605 HN ARG 605 69.012 -4.662 -2.089 444 HA ARG 605 HA ARG 605 71.557 -5.759 -1.493 445 HB2 ARG 605 HB2 ARG 605 70.504 -4.356 -3.961 446 HB3 ARG 605 HB3 ARG 605 72.112 -5.068 -3.873 447 HG2 ARG 605 HG2 ARG 605 71.133 -7.282 -3.416 448 HG3 ARG 605 HG3 ARG 605 69.511 -6.583 -3.444 449 HD2 ARG 605 HD2 ARG 605 69.853 -5.872 -5.786 450 HD3 ARG 605 HD3 ARG 605 71.470 -6.568 -5.767 451 HE ARG 605 HE ARG 605 68.943 -8.024 -5.944 452 HH11 ARG 605 HH11 ARG 605 72.390 -8.231 -5.336 453 HH12 ARG 605 HH12 ARG 605 72.471 -9.920 -5.709 454 HH21 ARG 605 HH21 ARG 605 69.098 -10.203 -6.446 455 HH22 ARG 605 HH22 ARG 605 70.615 -11.029 -6.336 456 H ASP 606 HN ASP 606 70.445 -2.456 -2.139 457 HA ASP 606 HA ASP 606 72.973 -1.199 -2.219 458 HB2 ASP 606 HB2 ASP 606 70.163 -0.277 -1.762 459 HB3 ASP 606 HB3 ASP 606 71.488 0.837 -1.441 460 H TYR 607 HN TYR 607 70.762 -1.910 0.480 461 HA TYR 607 HA TYR 607 72.120 -0.427 2.482 462 HB2 TYR 607 HB2 TYR 607 70.364 -2.879 2.616 463 HB3 TYR 607 HB3 TYR 607 71.117 -2.201 4.053 464 HD1 TYR 607 HD1 TYR 607 68.327 -2.004 1.816 465 HD2 TYR 607 HD2 TYR 607 70.685 0.325 4.561 466 HE1 TYR 607 HE1 TYR 607 66.454 -0.393 2.054 467 HE2 TYR 607 HE2 TYR 607 68.809 1.941 4.792 468 HH TYR 607 HH TYR 607 66.605 2.479 2.938 469 H GLU 608 HN GLU 608 72.452 -3.747 1.295 470 HA GLU 608 HA GLU 608 74.380 -4.671 3.136 471 HB2 GLU 608 HB2 GLU 608 73.834 -5.440 0.261 472 HB3 GLU 608 HB3 GLU 608 74.956 -6.308 1.303 473 HG2 GLU 608 HG2 GLU 608 73.141 -6.849 2.865 474 HG3 GLU 608 HG3 GLU 608 72.004 -5.901 1.908 475 H LYS 609 HN LYS 609 74.663 -3.060 -0.017 476 HA LYS 609 HA LYS 609 77.481 -3.161 -0.243 477 HB2 LYS 609 HB2 LYS 609 75.466 -1.224 -1.410 478 HB3 LYS 609 HB3 LYS 609 77.178 -1.235 -1.835 479 HG2 LYS 609 HG2 LYS 609 76.980 -3.579 -2.608 480 HG3 LYS 609 HG3 LYS 609 75.265 -3.571 -2.192 481 HD2 LYS 609 HD2 LYS 609 74.856 -1.755 -3.803 482 HD3 LYS 609 HD3 LYS 609 76.576 -1.693 -4.183 483 HE2 LYS 609 HE2 LYS 609 75.417 -2.979 -5.910 484 HE3 LYS 609 HE3 LYS 609 76.464 -4.050 -4.983 485 HZ1 LYS 609 HZ1 LYS 609 74.724 -5.193 -4.205 486 HZ2 LYS 609 HZ2 LYS 609 73.850 -4.481 -5.474 487 HZ3 LYS 609 HZ3 LYS 609 73.793 -3.805 -3.918 488 H ALA 610 HN ALA 610 75.282 -0.780 1.200 489 HA ALA 610 HA ALA 610 77.171 1.239 1.763 490 HB1 ALA 610 HB1 ALA 610 74.610 1.348 1.919 491 HB2 ALA 610 HB2 ALA 610 75.526 2.181 3.176 492 HB3 ALA 610 HB3 ALA 610 74.799 0.610 3.510 493 H MET 611 HN MET 611 76.137 -1.611 3.567 494 HA MET 611 HA MET 611 77.501 -1.093 5.982 495 HB2 MET 611 HB2 MET 611 76.483 -3.568 4.616 496 HB3 MET 611 HB3 MET 611 77.448 -3.702 6.087 497 HG2 MET 611 HG2 MET 611 75.840 -2.550 7.394 498 HG3 MET 611 HG3 MET 611 75.044 -1.858 5.977 499 HE1 MET 611 HE1 MET 611 72.075 -3.620 6.099 500 HE2 MET 611 HE2 MET 611 73.001 -2.223 6.646 501 HE3 MET 611 HE3 MET 611 72.609 -3.513 7.782 502 H LYS 612 HN LYS 612 78.476 -2.678 2.968 503 HA LYS 612 HA LYS 612 81.024 -3.566 3.848 504 HB2 LYS 612 HB2 LYS 612 79.968 -2.974 1.079 505 HB3 LYS 612 HB3 LYS 612 81.558 -3.669 1.393 506 HG2 LYS 612 HG2 LYS 612 80.518 -5.585 2.549 507 HG3 LYS 612 HG3 LYS 612 78.917 -4.890 2.277 508 HD2 LYS 612 HD2 LYS 612 79.337 -4.966 -0.183 509 HD3 LYS 612 HD3 LYS 612 80.877 -5.767 0.128 510 HE2 LYS 612 HE2 LYS 612 78.184 -6.848 1.016 511 HE3 LYS 612 HE3 LYS 612 79.024 -7.365 -0.443 512 HZ1 LYS 612 HZ1 LYS 612 80.882 -8.087 0.926 513 HZ2 LYS 612 HZ2 LYS 612 79.447 -8.860 1.403 514 HZ3 LYS 612 HZ3 LYS 612 80.075 -7.583 2.330 515 H GLU 613 HN GLU 613 79.912 -0.540 2.339 516 HA GLU 613 HA GLU 613 82.553 0.548 2.009 517 HB2 GLU 613 HB2 GLU 613 79.844 1.896 2.033 518 HB3 GLU 613 HB3 GLU 613 81.359 2.732 1.706 519 HG2 GLU 613 HG2 GLU 613 81.776 1.307 -0.243 520 HG3 GLU 613 HG3 GLU 613 80.323 0.370 0.100 521 H TYR 614 HN TYR 614 80.064 0.719 4.523 522 HA TYR 614 HA TYR 614 81.123 2.800 6.070 523 HB2 TYR 614 HB2 TYR 614 79.629 0.324 6.987 524 HB3 TYR 614 HB3 TYR 614 79.940 1.733 7.991 525 HD1 TYR 614 HD1 TYR 614 77.236 0.440 7.095 526 HD2 TYR 614 HD2 TYR 614 79.474 3.828 5.665 527 HE1 TYR 614 HE1 TYR 614 75.140 1.467 6.264 528 HE2 TYR 614 HE2 TYR 614 77.382 4.855 4.832 529 HH TYR 614 HH TYR 614 74.464 4.103 5.796 530 H GLU 615 HN GLU 615 81.705 -0.695 6.206 531 HA GLU 615 HA GLU 615 83.610 -0.555 8.322 532 HB2 GLU 615 HB2 GLU 615 84.168 -2.897 7.685 533 HB3 GLU 615 HB3 GLU 615 82.438 -2.644 7.914 534 HG2 GLU 615 HG2 GLU 615 82.132 -2.443 5.473 535 HG3 GLU 615 HG3 GLU 615 83.862 -2.674 5.226 536 H GLY 616 HN GLY 616 83.844 -0.532 4.805 537 HA2 GLY 616 HA2 GLY 616 86.746 -0.584 4.839 538 HA3 GLY 616 HA3 GLY 616 85.716 -0.453 3.417 539 H GLY 617 HN GLY 617 87.833 1.101 3.381 540 HA2 GLY 617 HA2 GLY 617 87.114 3.612 2.779 541 HA3 GLY 617 HA3 GLY 617 87.290 3.716 4.527 Start of MODEL 6 1 H MET 551 HT1 MET 551 58.162 -6.364 3.912 2 HA MET 551 HA MET 551 59.437 -4.844 2.304 3 HB2 MET 551 HB2 MET 551 61.200 -7.310 2.451 4 HB3 MET 551 HB3 MET 551 61.249 -6.145 1.132 5 HG2 MET 551 HG2 MET 551 61.742 -4.351 2.796 6 HG3 MET 551 HG3 MET 551 61.820 -5.584 4.053 7 HE1 MET 551 HE1 MET 551 64.942 -7.472 3.618 8 HE2 MET 551 HE2 MET 551 63.519 -8.109 2.801 9 HE3 MET 551 HE3 MET 551 63.341 -7.283 4.347 10 H SER 552 HN SER 552 57.817 -4.962 0.873 11 HA SER 552 HA SER 552 57.457 -7.339 -0.729 12 HB2 SER 552 HB2 SER 552 55.106 -7.689 -0.202 13 HB3 SER 552 HB3 SER 552 56.067 -7.856 1.263 14 HG SER 552 HG SER 552 54.815 -6.364 2.029 15 H ALA 553 HN ALA 553 55.917 -6.988 -2.495 16 HA ALA 553 HA ALA 553 56.248 -4.465 -3.721 17 HB1 ALA 553 HB1 ALA 553 54.473 -6.839 -4.300 18 HB2 ALA 553 HB2 ALA 553 55.886 -6.277 -5.195 19 HB3 ALA 553 HB3 ALA 553 54.377 -5.368 -5.268 20 H TYR 554 HN TYR 554 53.635 -5.934 -1.921 21 HA TYR 554 HA TYR 554 51.635 -3.979 -2.294 22 HB2 TYR 554 HB2 TYR 554 51.192 -6.245 -1.501 23 HB3 TYR 554 HB3 TYR 554 52.145 -5.953 -0.056 24 HD1 TYR 554 HD1 TYR 554 48.977 -5.225 -1.794 25 HD2 TYR 554 HD2 TYR 554 51.266 -4.617 1.788 26 HE1 TYR 554 HE1 TYR 554 46.939 -4.425 -0.630 27 HE2 TYR 554 HE2 TYR 554 49.229 -3.814 2.955 28 HH TYR 554 HH TYR 554 47.007 -2.792 2.309 29 H MET 555 HN MET 555 54.135 -4.400 0.225 30 HA MET 555 HA MET 555 53.355 -2.262 1.899 31 HB2 MET 555 HB2 MET 555 54.912 -4.050 2.586 32 HB3 MET 555 HB3 MET 555 56.121 -3.429 1.471 33 HG2 MET 555 HG2 MET 555 56.190 -1.305 2.715 34 HG3 MET 555 HG3 MET 555 54.942 -1.894 3.808 35 HE1 MET 555 HE1 MET 555 59.340 -3.143 3.545 36 HE2 MET 555 HE2 MET 555 58.760 -1.483 3.460 37 HE3 MET 555 HE3 MET 555 58.313 -2.631 2.198 38 H LEU 556 HN LEU 556 55.782 -2.345 -0.748 39 HA LEU 556 HA LEU 556 56.573 0.373 -0.532 40 HB2 LEU 556 HB2 LEU 556 56.628 -1.541 -2.877 41 HB3 LEU 556 HB3 LEU 556 57.316 0.077 -2.936 42 HG LEU 556 HG LEU 556 58.126 -2.020 -0.894 43 HD11 LEU 556 HD11 LEU 556 59.331 -1.241 -3.566 44 HD12 LEU 556 HD12 LEU 556 58.738 -2.835 -3.093 45 HD13 LEU 556 HD13 LEU 556 60.194 -2.178 -2.344 46 HD21 LEU 556 HD21 LEU 556 58.706 0.165 -0.089 47 HD22 LEU 556 HD22 LEU 556 59.186 0.709 -1.696 48 HD23 LEU 556 HD23 LEU 556 60.183 -0.457 -0.825 49 H TRP 557 HN TRP 557 54.146 -1.251 -2.512 50 HA TRP 557 HA TRP 557 53.237 0.957 -4.022 51 HB2 TRP 557 HB2 TRP 557 52.800 -1.296 -4.721 52 HB3 TRP 557 HB3 TRP 557 52.004 -1.677 -3.209 53 HD1 TRP 557 HD1 TRP 557 51.348 -0.468 -6.669 54 HE1 TRP 557 HE1 TRP 557 48.834 0.035 -6.954 55 HE3 TRP 557 HE3 TRP 557 49.862 -0.516 -1.772 56 HZ2 TRP 557 HZ2 TRP 557 46.496 0.357 -5.309 57 HZ3 TRP 557 HZ3 TRP 557 47.515 -0.095 -1.178 58 HH2 TRP 557 HH2 TRP 557 45.819 0.343 -2.925 59 H LEU 558 HN LEU 558 52.194 -0.402 -0.928 60 HA LEU 558 HA LEU 558 49.895 1.175 -0.507 61 HB2 LEU 558 HB2 LEU 558 50.852 -0.911 0.794 62 HB3 LEU 558 HB3 LEU 558 51.645 0.306 1.776 63 HG LEU 558 HG LEU 558 48.654 0.055 1.287 64 HD11 LEU 558 HD11 LEU 558 48.554 -0.660 3.603 65 HD12 LEU 558 HD12 LEU 558 50.278 -0.356 3.812 66 HD13 LEU 558 HD13 LEU 558 49.737 -1.666 2.764 67 HD21 LEU 558 HD21 LEU 558 50.302 2.093 2.809 68 HD22 LEU 558 HD22 LEU 558 48.629 1.758 3.263 69 HD23 LEU 558 HD23 LEU 558 48.997 2.377 1.656 70 H ASN 559 HN ASN 559 53.322 1.700 0.378 71 HA ASN 559 HA ASN 559 52.933 4.032 1.917 72 HB2 ASN 559 HB2 ASN 559 55.258 2.934 0.368 73 HB3 ASN 559 HB3 ASN 559 55.364 4.520 1.125 74 HD21 ASN 559 HD21 ASN 559 54.108 4.217 3.560 75 HD22 ASN 559 HD22 ASN 559 54.835 2.984 4.467 76 H ALA 560 HN ALA 560 53.637 3.648 -1.544 77 HA ALA 560 HA ALA 560 53.623 6.458 -2.098 78 HB1 ALA 560 HB1 ALA 560 53.568 3.980 -3.800 79 HB2 ALA 560 HB2 ALA 560 54.861 5.165 -3.614 80 HB3 ALA 560 HB3 ALA 560 53.402 5.586 -4.512 81 H SER 561 HN SER 561 51.263 3.868 -2.351 82 HA SER 561 HA SER 561 49.239 5.441 -3.630 83 HB2 SER 561 HB2 SER 561 49.231 2.717 -2.353 84 HB3 SER 561 HB3 SER 561 47.775 3.456 -3.010 85 HG SER 561 HG SER 561 49.100 3.772 -4.971 86 H ARG 562 HN ARG 562 50.121 4.898 -0.302 87 HA ARG 562 HA ARG 562 47.710 5.268 1.028 88 HB2 ARG 562 HB2 ARG 562 49.826 4.649 2.139 89 HB3 ARG 562 HB3 ARG 562 50.441 6.272 1.877 90 HG2 ARG 562 HG2 ARG 562 48.653 7.190 3.285 91 HG3 ARG 562 HG3 ARG 562 47.982 5.577 3.510 92 HD2 ARG 562 HD2 ARG 562 50.803 6.360 4.297 93 HD3 ARG 562 HD3 ARG 562 49.443 6.367 5.414 94 HE ARG 562 HE ARG 562 49.551 3.832 4.208 95 HH11 ARG 562 HH11 ARG 562 51.515 5.787 6.357 96 HH12 ARG 562 HH12 ARG 562 52.197 4.414 7.164 97 HH21 ARG 562 HH21 ARG 562 50.450 2.079 5.312 98 HH22 ARG 562 HH22 ARG 562 51.602 2.345 6.579 99 H GLU 563 HN GLU 563 49.978 7.783 -0.115 100 HA GLU 563 HA GLU 563 48.496 9.974 0.918 101 HB2 GLU 563 HB2 GLU 563 49.803 11.342 -0.730 102 HB3 GLU 563 HB3 GLU 563 50.785 10.360 0.345 103 HG2 GLU 563 HG2 GLU 563 51.029 8.670 -1.432 104 HG3 GLU 563 HG3 GLU 563 50.047 9.654 -2.511 105 H LYS 564 HN LYS 564 48.519 8.399 -2.236 106 HA LYS 564 HA LYS 564 46.666 10.142 -3.511 107 HB2 LYS 564 HB2 LYS 564 47.357 7.247 -4.071 108 HB3 LYS 564 HB3 LYS 564 46.346 8.238 -5.112 109 HG2 LYS 564 HG2 LYS 564 49.197 8.947 -4.359 110 HG3 LYS 564 HG3 LYS 564 48.760 8.097 -5.835 111 HD2 LYS 564 HD2 LYS 564 47.336 10.030 -6.499 112 HD3 LYS 564 HD3 LYS 564 47.848 10.883 -5.045 113 HE2 LYS 564 HE2 LYS 564 50.196 10.758 -5.790 114 HE3 LYS 564 HE3 LYS 564 49.689 9.902 -7.244 115 HZ1 LYS 564 HZ1 LYS 564 49.631 11.965 -8.090 116 HZ2 LYS 564 HZ2 LYS 564 49.464 12.715 -6.574 117 HZ3 LYS 564 HZ3 LYS 564 48.108 12.042 -7.347 118 H ILE 565 HN ILE 565 46.240 7.073 -1.757 119 HA ILE 565 HA ILE 565 43.470 6.787 -2.231 120 HB ILE 565 HB ILE 565 45.217 5.712 0.013 121 HG12 ILE 565 HG12 ILE 565 44.021 4.276 -2.373 122 HG13 ILE 565 HG13 ILE 565 45.614 5.011 -2.427 123 HG21 ILE 565 HG21 ILE 565 42.834 5.768 0.714 124 HG22 ILE 565 HG22 ILE 565 43.360 4.110 0.431 125 HG23 ILE 565 HG23 ILE 565 42.376 4.943 -0.772 126 HD11 ILE 565 HD11 ILE 565 46.125 2.805 -1.800 127 HD12 ILE 565 HD12 ILE 565 44.674 2.652 -0.812 128 HD13 ILE 565 HD13 ILE 565 46.038 3.608 -0.232 129 H LYS 566 HN LYS 566 45.277 8.291 0.452 130 HA LYS 566 HA LYS 566 43.041 8.962 2.034 131 HB2 LYS 566 HB2 LYS 566 45.794 10.195 1.836 132 HB3 LYS 566 HB3 LYS 566 44.579 10.760 2.975 133 HG2 LYS 566 HG2 LYS 566 44.454 8.535 3.988 134 HG3 LYS 566 HG3 LYS 566 45.622 7.920 2.822 135 HD2 LYS 566 HD2 LYS 566 47.331 9.454 3.673 136 HD3 LYS 566 HD3 LYS 566 46.166 10.175 4.778 137 HE2 LYS 566 HE2 LYS 566 45.936 8.049 5.967 138 HE3 LYS 566 HE3 LYS 566 47.035 7.266 4.832 139 HZ1 LYS 566 HZ1 LYS 566 48.574 9.242 5.589 140 HZ2 LYS 566 HZ2 LYS 566 48.473 7.803 6.489 141 HZ3 LYS 566 HZ3 LYS 566 47.599 9.178 6.977 142 H SER 567 HN SER 567 44.694 10.719 -0.573 143 HA SER 567 HA SER 567 43.262 13.143 -0.350 144 HB2 SER 567 HB2 SER 567 44.300 13.761 -2.334 145 HB3 SER 567 HB3 SER 567 45.391 12.502 -1.765 146 HG SER 567 HG SER 567 44.869 12.126 -3.915 147 H ASP 568 HN ASP 568 42.605 10.171 -2.171 148 HA ASP 568 HA ASP 568 40.259 11.204 -3.481 149 HB2 ASP 568 HB2 ASP 568 41.329 8.403 -3.143 150 HB3 ASP 568 HB3 ASP 568 39.897 8.796 -4.088 151 H HIS 569 HN HIS 569 40.897 9.422 -0.510 152 HA HIS 569 HA HIS 569 37.987 9.418 0.065 153 HB2 HIS 569 HB2 HIS 569 40.048 7.554 1.276 154 HB3 HIS 569 HB3 HIS 569 38.306 7.492 1.503 155 HD2 HIS 569 HD2 HIS 569 40.620 7.293 -1.750 156 HE1 HIS 569 HE1 HIS 569 37.518 4.448 -2.049 157 HE2 HIS 569 HE2 HIS 569 39.575 5.391 -3.198 158 HA PRO 570 HA PRO 570 40.117 12.307 3.045 159 HB2 PRO 570 HB2 PRO 570 38.173 14.214 3.086 160 HB3 PRO 570 HB3 PRO 570 39.457 14.172 1.860 161 HG2 PRO 570 HG2 PRO 570 36.635 13.216 1.679 162 HG3 PRO 570 HG3 PRO 570 37.593 14.130 0.498 163 HD2 PRO 570 HD2 PRO 570 37.208 11.446 0.280 164 HD3 PRO 570 HD3 PRO 570 38.705 12.238 -0.267 165 H GLY 571 HN GLY 571 39.799 12.335 5.227 166 HA2 GLY 571 HA2 GLY 571 38.802 12.056 7.282 167 HA3 GLY 571 HA3 GLY 571 37.241 12.116 6.479 168 H ILE 572 HN ILE 572 39.444 9.731 5.262 169 HA ILE 572 HA ILE 572 37.741 7.641 6.377 170 HB ILE 572 HB ILE 572 38.335 7.595 3.950 171 HG12 ILE 572 HG12 ILE 572 39.485 5.215 5.423 172 HG13 ILE 572 HG13 ILE 572 37.760 5.563 5.401 173 HG21 ILE 572 HG21 ILE 572 40.724 8.411 4.330 174 HG22 ILE 572 HG22 ILE 572 40.557 7.050 3.220 175 HG23 ILE 572 HG23 ILE 572 41.103 6.781 4.872 176 HD11 ILE 572 HD11 ILE 572 39.509 5.082 2.970 177 HD12 ILE 572 HD12 ILE 572 37.796 5.497 2.918 178 HD13 ILE 572 HD13 ILE 572 38.311 3.965 3.626 179 H SER 573 HN SER 573 38.367 6.119 7.807 180 HA SER 573 HA SER 573 40.400 6.745 9.658 181 HB2 SER 573 HB2 SER 573 38.458 5.484 10.339 182 HB3 SER 573 HB3 SER 573 38.840 4.193 9.205 183 HG SER 573 HG SER 573 40.329 5.033 11.468 184 H ILE 574 HN ILE 574 42.306 5.562 10.208 185 HA ILE 574 HA ILE 574 44.018 4.989 8.034 186 HB ILE 574 HB ILE 574 44.252 4.354 10.996 187 HG12 ILE 574 HG12 ILE 574 45.650 6.471 9.337 188 HG13 ILE 574 HG13 ILE 574 44.133 6.772 10.179 189 HG21 ILE 574 HG21 ILE 574 45.747 2.828 9.858 190 HG22 ILE 574 HG22 ILE 574 46.739 4.160 10.453 191 HG23 ILE 574 HG23 ILE 574 46.285 4.091 8.751 192 HD11 ILE 574 HD11 ILE 574 45.182 6.213 12.328 193 HD12 ILE 574 HD12 ILE 574 46.104 7.486 11.528 194 HD13 ILE 574 HD13 ILE 574 46.694 5.825 11.508 195 H THR 575 HN THR 575 42.248 2.893 10.277 196 HA THR 575 HA THR 575 43.233 0.416 9.372 197 HB THR 575 HB THR 575 40.460 0.928 10.454 198 HG1 THR 575 HG3 THR 575 42.815 0.429 11.942 199 HG21 THR 575 HG21 THR 575 40.764 -1.342 9.733 200 HG22 THR 575 HG22 THR 575 40.944 -1.342 11.488 201 HG23 THR 575 HG23 THR 575 42.372 -1.418 10.456 202 H ASP 576 HN ASP 576 40.443 2.360 8.362 203 HA ASP 576 HA ASP 576 39.379 0.530 6.480 204 HB2 ASP 576 HB2 ASP 576 39.115 3.481 6.941 205 HB3 ASP 576 HB3 ASP 576 38.478 2.781 5.458 206 H LEU 577 HN LEU 577 41.906 2.985 6.271 207 HA LEU 577 HA LEU 577 42.176 3.148 3.472 208 HB2 LEU 577 HB2 LEU 577 44.172 3.507 5.704 209 HB3 LEU 577 HB3 LEU 577 44.628 3.682 4.022 210 HG LEU 577 HG LEU 577 42.416 5.257 5.376 211 HD11 LEU 577 HD11 LEU 577 44.768 5.699 6.200 212 HD12 LEU 577 HD12 LEU 577 43.986 7.093 5.447 213 HD13 LEU 577 HD13 LEU 577 45.183 6.164 4.549 214 HD21 LEU 577 HD21 LEU 577 42.818 6.732 3.296 215 HD22 LEU 577 HD22 LEU 577 41.987 5.204 3.013 216 HD23 LEU 577 HD23 LEU 577 43.701 5.359 2.627 217 H SER 578 HN SER 578 43.568 0.910 5.846 218 HA SER 578 HA SER 578 45.360 -0.444 4.173 219 HB2 SER 578 HB2 SER 578 45.524 -0.880 6.495 220 HB3 SER 578 HB3 SER 578 43.818 -1.290 6.627 221 HG SER 578 HG SER 578 44.318 -3.257 6.110 222 H LYS 579 HN LYS 579 41.913 -1.064 4.837 223 HA LYS 579 HA LYS 579 41.674 -3.373 3.189 224 HB2 LYS 579 HB2 LYS 579 39.611 -1.342 4.069 225 HB3 LYS 579 HB3 LYS 579 39.227 -2.821 3.198 226 HG2 LYS 579 HG2 LYS 579 40.202 -4.161 5.017 227 HG3 LYS 579 HG3 LYS 579 40.617 -2.685 5.891 228 HD2 LYS 579 HD2 LYS 579 38.189 -2.064 5.886 229 HD3 LYS 579 HD3 LYS 579 37.829 -3.622 5.150 230 HE2 LYS 579 HE2 LYS 579 39.180 -3.227 7.840 231 HE3 LYS 579 HE3 LYS 579 37.495 -3.678 7.602 232 HZ1 LYS 579 HZ1 LYS 579 38.886 -5.479 6.094 233 HZ2 LYS 579 HZ2 LYS 579 38.214 -5.764 7.628 234 HZ3 LYS 579 HZ3 LYS 579 39.843 -5.304 7.485 235 H LYS 580 HN LYS 580 41.218 0.098 2.618 236 HA LYS 580 HA LYS 580 40.213 -0.005 -0.014 237 HB2 LYS 580 HB2 LYS 580 41.877 2.081 1.417 238 HB3 LYS 580 HB3 LYS 580 41.205 2.320 -0.194 239 HG2 LYS 580 HG2 LYS 580 39.490 1.549 2.173 240 HG3 LYS 580 HG3 LYS 580 39.822 3.229 1.760 241 HD2 LYS 580 HD2 LYS 580 38.880 2.838 -0.503 242 HD3 LYS 580 HD3 LYS 580 38.503 1.179 -0.044 243 HE2 LYS 580 HE2 LYS 580 37.048 2.004 1.764 244 HE3 LYS 580 HE3 LYS 580 37.428 3.665 1.316 245 HZ1 LYS 580 HZ1 LYS 580 36.491 3.233 -0.880 246 HZ2 LYS 580 HZ2 LYS 580 35.341 2.977 0.347 247 HZ3 LYS 580 HZ3 LYS 580 36.087 1.653 -0.410 248 H ALA 581 HN ALA 581 43.507 0.099 1.242 249 HA ALA 581 HA ALA 581 44.890 0.382 -1.194 250 HB1 ALA 581 HB1 ALA 581 46.285 0.717 0.612 251 HB2 ALA 581 HB2 ALA 581 46.668 -0.973 0.285 252 HB3 ALA 581 HB3 ALA 581 45.531 -0.559 1.565 253 H GLY 582 HN GLY 582 43.824 -2.474 0.618 254 HA2 GLY 582 HA2 GLY 582 44.976 -4.432 -1.080 255 HA3 GLY 582 HA3 GLY 582 43.651 -4.695 0.051 256 H GLU 583 HN GLU 583 41.799 -2.835 -1.033 257 HA GLU 583 HA GLU 583 40.565 -4.402 -3.031 258 HB2 GLU 583 HB2 GLU 583 40.068 -1.543 -2.183 259 HB3 GLU 583 HB3 GLU 583 39.057 -2.412 -3.332 260 HG2 GLU 583 HG2 GLU 583 38.536 -4.105 -1.645 261 HG3 GLU 583 HG3 GLU 583 39.613 -3.330 -0.498 262 H ILE 584 HN ILE 584 42.485 -1.403 -3.265 263 HA ILE 584 HA ILE 584 42.073 -1.021 -6.044 264 HB ILE 584 HB ILE 584 44.329 -0.072 -4.234 265 HG12 ILE 584 HG12 ILE 584 41.937 1.406 -5.390 266 HG13 ILE 584 HG13 ILE 584 41.925 0.660 -3.796 267 HG21 ILE 584 HG21 ILE 584 43.577 0.714 -7.087 268 HG22 ILE 584 HG22 ILE 584 45.085 -0.045 -6.581 269 HG23 ILE 584 HG23 ILE 584 44.719 1.607 -6.081 270 HD11 ILE 584 HD11 ILE 584 43.735 2.898 -4.748 271 HD12 ILE 584 HD12 ILE 584 43.949 2.056 -3.214 272 HD13 ILE 584 HD13 ILE 584 42.484 2.997 -3.508 273 H TRP 585 HN TRP 585 44.630 -2.690 -4.231 274 HA TRP 585 HA TRP 585 46.294 -3.416 -6.373 275 HB2 TRP 585 HB2 TRP 585 45.945 -4.176 -3.572 276 HB3 TRP 585 HB3 TRP 585 46.360 -5.579 -4.546 277 HD1 TRP 585 HD1 TRP 585 48.055 -3.355 -2.522 278 HE1 TRP 585 HE1 TRP 585 50.465 -2.835 -3.328 279 HE3 TRP 585 HE3 TRP 585 47.687 -4.946 -7.325 280 HZ2 TRP 585 HZ2 TRP 585 52.026 -3.057 -5.781 281 HZ3 TRP 585 HZ3 TRP 585 49.608 -4.781 -8.878 282 HH2 TRP 585 HH2 TRP 585 51.763 -3.834 -8.100 283 H LYS 586 HN LYS 586 43.533 -5.065 -4.948 284 HA LYS 586 HA LYS 586 43.651 -7.448 -6.419 285 HB2 LYS 586 HB2 LYS 586 41.332 -5.981 -5.169 286 HB3 LYS 586 HB3 LYS 586 41.136 -7.533 -5.976 287 HG2 LYS 586 HG2 LYS 586 42.751 -8.562 -4.444 288 HG3 LYS 586 HG3 LYS 586 43.026 -7.010 -3.661 289 HD2 LYS 586 HD2 LYS 586 40.610 -6.923 -3.052 290 HD3 LYS 586 HD3 LYS 586 40.395 -8.519 -3.760 291 HE2 LYS 586 HE2 LYS 586 42.221 -7.857 -1.422 292 HE3 LYS 586 HE3 LYS 586 40.658 -8.662 -1.311 293 HZ1 LYS 586 HZ1 LYS 586 43.117 -9.844 -1.721 294 HZ2 LYS 586 HZ2 LYS 586 42.306 -9.972 -3.208 295 HZ3 LYS 586 HZ3 LYS 586 41.595 -10.590 -1.795 296 H GLY 587 HN GLY 587 42.191 -4.329 -7.269 297 HA2 GLY 587 HA2 GLY 587 41.051 -5.370 -9.742 298 HA3 GLY 587 HA3 GLY 587 40.984 -3.706 -9.178 299 H MET 588 HN MET 588 43.935 -3.682 -8.728 300 HA MET 588 HA MET 588 44.716 -2.759 -11.330 301 HB2 MET 588 HB2 MET 588 45.374 -1.688 -9.156 302 HB3 MET 588 HB3 MET 588 46.450 -3.055 -8.873 303 HG2 MET 588 HG2 MET 588 47.725 -2.554 -10.837 304 HG3 MET 588 HG3 MET 588 46.548 -1.363 -11.375 305 HE1 MET 588 HE1 MET 588 50.139 -0.959 -8.873 306 HE2 MET 588 HE2 MET 588 49.365 -2.409 -9.510 307 HE3 MET 588 HE3 MET 588 48.958 -1.836 -7.894 308 H SER 589 HN SER 589 46.544 -3.455 -12.526 309 HA SER 589 HA SER 589 46.601 -6.207 -13.057 310 HB2 SER 589 HB2 SER 589 48.360 -5.694 -14.628 311 HB3 SER 589 HB3 SER 589 47.184 -4.385 -14.656 312 HG SER 589 HG SER 589 49.563 -3.890 -14.464 313 H LYS 590 HN LYS 590 48.007 -7.828 -12.671 314 HA LYS 590 HA LYS 590 49.392 -7.939 -10.197 315 HB2 LYS 590 HB2 LYS 590 49.450 -9.771 -12.603 316 HB3 LYS 590 HB3 LYS 590 50.207 -10.143 -11.060 317 HG2 LYS 590 HG2 LYS 590 48.037 -10.029 -9.931 318 HG3 LYS 590 HG3 LYS 590 47.254 -9.565 -11.441 319 HD2 LYS 590 HD2 LYS 590 47.951 -11.701 -12.457 320 HD3 LYS 590 HD3 LYS 590 48.726 -12.171 -10.947 321 HE2 LYS 590 HE2 LYS 590 46.545 -12.079 -9.791 322 HE3 LYS 590 HE3 LYS 590 45.765 -11.586 -11.291 323 HZ1 LYS 590 HZ1 LYS 590 47.078 -13.818 -12.037 324 HZ2 LYS 590 HZ2 LYS 590 45.446 -13.769 -11.566 325 HZ3 LYS 590 HZ3 LYS 590 46.644 -14.203 -10.441 326 H GLU 591 HN GLU 591 50.440 -7.429 -13.513 327 HA GLU 591 HA GLU 591 53.189 -7.832 -13.340 328 HB2 GLU 591 HB2 GLU 591 51.917 -7.400 -15.434 329 HB3 GLU 591 HB3 GLU 591 51.735 -5.717 -14.955 330 HG2 GLU 591 HG2 GLU 591 53.586 -5.813 -16.490 331 HG3 GLU 591 HG3 GLU 591 54.257 -5.546 -14.889 332 H LYS 592 HN LYS 592 51.301 -4.982 -12.389 333 HA LYS 592 HA LYS 592 53.484 -3.231 -11.954 334 HB2 LYS 592 HB2 LYS 592 50.684 -3.332 -10.847 335 HB3 LYS 592 HB3 LYS 592 51.839 -2.115 -10.311 336 HG2 LYS 592 HG2 LYS 592 52.140 -1.359 -12.633 337 HG3 LYS 592 HG3 LYS 592 51.009 -2.593 -13.190 338 HD2 LYS 592 HD2 LYS 592 49.231 -1.596 -11.851 339 HD3 LYS 592 HD3 LYS 592 50.342 -0.390 -11.220 340 HE2 LYS 592 HE2 LYS 592 50.668 0.486 -13.512 341 HE3 LYS 592 HE3 LYS 592 49.543 -0.722 -14.128 342 HZ1 LYS 592 HZ1 LYS 592 48.156 0.450 -12.104 343 HZ2 LYS 592 HZ2 LYS 592 47.987 0.815 -13.754 344 HZ3 LYS 592 HZ3 LYS 592 49.006 1.758 -12.775 345 H LYS 593 HN LYS 593 51.984 -5.698 -9.917 346 HA LYS 593 HA LYS 593 53.270 -5.006 -7.478 347 HB2 LYS 593 HB2 LYS 593 51.322 -6.539 -7.700 348 HB3 LYS 593 HB3 LYS 593 52.385 -7.731 -8.439 349 HG2 LYS 593 HG2 LYS 593 53.751 -7.792 -6.391 350 HG3 LYS 593 HG3 LYS 593 52.696 -6.582 -5.653 351 HD2 LYS 593 HD2 LYS 593 50.784 -8.077 -5.918 352 HD3 LYS 593 HD3 LYS 593 51.822 -9.281 -6.671 353 HE2 LYS 593 HE2 LYS 593 53.128 -9.450 -4.588 354 HE3 LYS 593 HE3 LYS 593 52.090 -8.236 -3.840 355 HZ1 LYS 593 HZ1 LYS 593 50.186 -9.720 -4.308 356 HZ2 LYS 593 HZ2 LYS 593 51.308 -10.390 -3.220 357 HZ3 LYS 593 HZ3 LYS 593 51.274 -10.909 -4.839 358 H GLU 594 HN GLU 594 54.147 -7.122 -10.147 359 HA GLU 594 HA GLU 594 56.458 -8.271 -9.080 360 HB2 GLU 594 HB2 GLU 594 55.791 -7.559 -11.942 361 HB3 GLU 594 HB3 GLU 594 57.154 -8.565 -11.459 362 HG2 GLU 594 HG2 GLU 594 55.594 -10.155 -10.384 363 HG3 GLU 594 HG3 GLU 594 54.237 -9.153 -10.877 364 H GLU 595 HN GLU 595 56.043 -5.168 -10.869 365 HA GLU 595 HA GLU 595 58.818 -4.604 -10.989 366 HB2 GLU 595 HB2 GLU 595 58.264 -2.317 -11.526 367 HB3 GLU 595 HB3 GLU 595 57.213 -3.400 -12.412 368 HG2 GLU 595 HG2 GLU 595 55.345 -2.750 -11.258 369 HG3 GLU 595 HG3 GLU 595 56.221 -2.299 -9.810 370 H TRP 596 HN TRP 596 56.386 -3.852 -8.572 371 HA TRP 596 HA TRP 596 57.980 -2.202 -6.910 372 HB2 TRP 596 HB2 TRP 596 55.609 -3.973 -6.274 373 HB3 TRP 596 HB3 TRP 596 56.398 -2.948 -5.079 374 HD1 TRP 596 HD1 TRP 596 53.762 -2.887 -7.630 375 HE1 TRP 596 HE1 TRP 596 52.960 -0.477 -8.063 376 HE3 TRP 596 HE3 TRP 596 57.470 -0.300 -5.264 377 HZ2 TRP 596 HZ2 TRP 596 53.782 2.215 -7.459 378 HZ3 TRP 596 HZ3 TRP 596 57.438 2.176 -5.195 379 HH2 TRP 596 HH2 TRP 596 55.603 3.441 -6.289 380 H ASP 597 HN ASP 597 57.491 -5.721 -7.027 381 HA ASP 597 HA ASP 597 58.952 -6.411 -4.710 382 HB2 ASP 597 HB2 ASP 597 58.172 -7.856 -7.219 383 HB3 ASP 597 HB3 ASP 597 59.322 -8.608 -6.122 384 H ARG 598 HN ARG 598 59.920 -6.058 -8.098 385 HA ARG 598 HA ARG 598 62.613 -6.852 -7.837 386 HB2 ARG 598 HB2 ARG 598 61.405 -6.655 -9.994 387 HB3 ARG 598 HB3 ARG 598 61.400 -4.905 -9.819 388 HG2 ARG 598 HG2 ARG 598 63.854 -4.875 -9.849 389 HG3 ARG 598 HG3 ARG 598 63.889 -6.634 -9.952 390 HD2 ARG 598 HD2 ARG 598 64.190 -5.697 -12.184 391 HD3 ARG 598 HD3 ARG 598 62.633 -6.506 -12.096 392 HE ARG 598 HE ARG 598 61.569 -4.430 -12.267 393 HH11 ARG 598 HH11 ARG 598 65.030 -3.977 -11.919 394 HH12 ARG 598 HH12 ARG 598 64.960 -2.298 -12.337 395 HH21 ARG 598 HH21 ARG 598 61.540 -2.245 -12.801 396 HH22 ARG 598 HH22 ARG 598 63.011 -1.333 -12.827 397 H LYS 599 HN LYS 599 61.072 -3.648 -7.581 398 HA LYS 599 HA LYS 599 63.422 -2.100 -7.262 399 HB2 LYS 599 HB2 LYS 599 61.132 -1.181 -7.716 400 HB3 LYS 599 HB3 LYS 599 60.684 -1.578 -6.062 401 HG2 LYS 599 HG2 LYS 599 62.426 -0.066 -5.206 402 HG3 LYS 599 HG3 LYS 599 62.938 0.300 -6.852 403 HD2 LYS 599 HD2 LYS 599 60.685 1.212 -7.338 404 HD3 LYS 599 HD3 LYS 599 60.195 0.867 -5.684 405 HE2 LYS 599 HE2 LYS 599 61.926 2.412 -4.841 406 HE3 LYS 599 HE3 LYS 599 62.436 2.748 -6.494 407 HZ1 LYS 599 HZ1 LYS 599 59.672 3.138 -6.375 408 HZ2 LYS 599 HZ2 LYS 599 60.884 4.307 -6.599 409 HZ3 LYS 599 HZ3 LYS 599 60.342 3.932 -5.033 410 H ALA 600 HN ALA 600 61.352 -3.812 -4.957 411 HA ALA 600 HA ALA 600 62.571 -2.920 -2.573 412 HB1 ALA 600 HB1 ALA 600 61.498 -5.685 -2.635 413 HB2 ALA 600 HB2 ALA 600 60.387 -4.408 -3.130 414 HB3 ALA 600 HB3 ALA 600 61.137 -4.354 -1.535 415 H GLU 601 HN GLU 601 63.278 -5.674 -4.713 416 HA GLU 601 HA GLU 601 65.233 -6.892 -3.055 417 HB2 GLU 601 HB2 GLU 601 64.827 -6.985 -6.047 418 HB3 GLU 601 HB3 GLU 601 66.035 -7.943 -5.198 419 HG2 GLU 601 HG2 GLU 601 64.276 -9.003 -3.852 420 HG3 GLU 601 HG3 GLU 601 63.054 -8.017 -4.642 421 H ASP 602 HN ASP 602 65.468 -4.480 -5.670 422 HA ASP 602 HA ASP 602 68.300 -4.326 -5.706 423 HB2 ASP 602 HB2 ASP 602 66.091 -2.537 -6.660 424 HB3 ASP 602 HB3 ASP 602 67.735 -1.914 -6.609 425 H ALA 603 HN ALA 603 65.827 -2.560 -3.892 426 HA ALA 603 HA ALA 603 67.564 -0.688 -2.665 427 HB1 ALA 603 HB1 ALA 603 65.277 -0.153 -2.554 428 HB2 ALA 603 HB2 ALA 603 65.672 -0.637 -0.904 429 HB3 ALA 603 HB3 ALA 603 64.836 -1.760 -1.978 430 H ARG 604 HN ARG 604 66.456 -3.925 -1.734 431 HA ARG 604 HA ARG 604 67.632 -4.008 0.844 432 HB2 ARG 604 HB2 ARG 604 65.893 -5.598 0.057 433 HB3 ARG 604 HB3 ARG 604 67.055 -6.301 -1.059 434 HG2 ARG 604 HG2 ARG 604 68.488 -6.961 0.844 435 HG3 ARG 604 HG3 ARG 604 67.334 -6.243 1.966 436 HD2 ARG 604 HD2 ARG 604 65.583 -7.792 1.045 437 HD3 ARG 604 HD3 ARG 604 66.836 -8.574 0.093 438 HE ARG 604 HE ARG 604 67.452 -8.471 2.915 439 HH11 ARG 604 HH11 ARG 604 65.711 -10.272 0.456 440 HH12 ARG 604 HH12 ARG 604 65.762 -11.755 1.352 441 HH21 ARG 604 HH21 ARG 604 67.502 -10.441 4.022 442 HH22 ARG 604 HH22 ARG 604 66.760 -11.848 3.335 443 H ARG 605 HN ARG 605 68.819 -5.002 -2.373 444 HA ARG 605 HA ARG 605 71.328 -6.030 -1.501 445 HB2 ARG 605 HB2 ARG 605 70.436 -4.889 -4.162 446 HB3 ARG 605 HB3 ARG 605 72.029 -5.588 -3.897 447 HG2 ARG 605 HG2 ARG 605 70.996 -7.728 -3.253 448 HG3 ARG 605 HG3 ARG 605 69.393 -7.033 -3.484 449 HD2 ARG 605 HD2 ARG 605 69.954 -6.593 -5.867 450 HD3 ARG 605 HD3 ARG 605 71.521 -7.352 -5.623 451 HE ARG 605 HE ARG 605 69.580 -9.195 -4.814 452 HH11 ARG 605 HH11 ARG 605 70.585 -7.614 -7.785 453 HH12 ARG 605 HH12 ARG 605 70.030 -8.913 -8.788 454 HH21 ARG 605 HH21 ARG 605 68.856 -10.832 -6.169 455 HH22 ARG 605 HH22 ARG 605 69.064 -10.708 -7.885 456 H ASP 606 HN ASP 606 70.255 -2.826 -2.575 457 HA ASP 606 HA ASP 606 72.790 -1.566 -2.585 458 HB2 ASP 606 HB2 ASP 606 69.952 -0.620 -2.520 459 HB3 ASP 606 HB3 ASP 606 71.244 0.536 -2.214 460 H TYR 607 HN TYR 607 70.348 -1.962 -0.044 461 HA TYR 607 HA TYR 607 71.469 -0.228 1.890 462 HB2 TYR 607 HB2 TYR 607 69.192 -1.230 2.036 463 HB3 TYR 607 HB3 TYR 607 69.922 -2.798 2.347 464 HD1 TYR 607 HD1 TYR 607 69.218 0.549 3.727 465 HD2 TYR 607 HD2 TYR 607 71.037 -3.273 4.510 466 HE1 TYR 607 HE1 TYR 607 69.284 1.071 6.151 467 HE2 TYR 607 HE2 TYR 607 71.101 -2.742 6.931 468 HH TYR 607 HH TYR 607 70.578 0.365 8.165 469 H GLU 608 HN GLU 608 71.920 -3.699 1.271 470 HA GLU 608 HA GLU 608 73.709 -4.290 3.354 471 HB2 GLU 608 HB2 GLU 608 73.525 -5.459 0.561 472 HB3 GLU 608 HB3 GLU 608 74.474 -6.154 1.871 473 HG2 GLU 608 HG2 GLU 608 71.478 -5.679 1.985 474 HG3 GLU 608 HG3 GLU 608 72.223 -7.224 1.597 475 H LYS 609 HN LYS 609 74.252 -2.986 0.103 476 HA LYS 609 HA LYS 609 77.077 -3.070 0.079 477 HB2 LYS 609 HB2 LYS 609 75.630 -2.686 -1.924 478 HB3 LYS 609 HB3 LYS 609 75.263 -1.077 -1.313 479 HG2 LYS 609 HG2 LYS 609 77.636 -0.468 -1.418 480 HG3 LYS 609 HG3 LYS 609 78.050 -2.094 -1.950 481 HD2 LYS 609 HD2 LYS 609 76.671 -1.773 -3.982 482 HD3 LYS 609 HD3 LYS 609 76.285 -0.137 -3.453 483 HE2 LYS 609 HE2 LYS 609 78.683 0.450 -3.509 484 HE3 LYS 609 HE3 LYS 609 79.072 -1.188 -4.028 485 HZ1 LYS 609 HZ1 LYS 609 78.727 0.758 -5.741 486 HZ2 LYS 609 HZ2 LYS 609 77.095 0.307 -5.585 487 HZ3 LYS 609 HZ3 LYS 609 78.249 -0.830 -6.100 488 H ALA 610 HN ALA 610 74.781 -0.656 1.276 489 HA ALA 610 HA ALA 610 76.633 1.411 1.843 490 HB1 ALA 610 HB1 ALA 610 74.275 1.910 1.811 491 HB2 ALA 610 HB2 ALA 610 74.870 2.202 3.446 492 HB3 ALA 610 HB3 ALA 610 73.962 0.733 3.087 493 H MET 611 HN MET 611 75.481 -1.366 3.708 494 HA MET 611 HA MET 611 76.654 -0.706 6.188 495 HB2 MET 611 HB2 MET 611 76.174 -3.480 5.068 496 HB3 MET 611 HB3 MET 611 76.376 -3.061 6.764 497 HG2 MET 611 HG2 MET 611 74.090 -2.233 4.951 498 HG3 MET 611 HG3 MET 611 73.998 -3.353 6.296 499 HE1 MET 611 HE1 MET 611 72.862 -2.595 8.382 500 HE2 MET 611 HE2 MET 611 73.658 -1.368 9.367 501 HE3 MET 611 HE3 MET 611 74.597 -2.710 8.719 502 H LYS 612 HN LYS 612 77.879 -2.431 3.359 503 HA LYS 612 HA LYS 612 80.347 -3.280 4.463 504 HB2 LYS 612 HB2 LYS 612 79.343 -4.188 2.372 505 HB3 LYS 612 HB3 LYS 612 79.714 -2.670 1.564 506 HG2 LYS 612 HG2 LYS 612 82.107 -3.008 1.962 507 HG3 LYS 612 HG3 LYS 612 81.772 -4.477 2.877 508 HD2 LYS 612 HD2 LYS 612 80.741 -5.480 0.853 509 HD3 LYS 612 HD3 LYS 612 81.136 -4.022 -0.053 510 HE2 LYS 612 HE2 LYS 612 83.155 -5.842 1.300 511 HE3 LYS 612 HE3 LYS 612 82.812 -5.807 -0.426 512 HZ1 LYS 612 HZ1 LYS 612 83.309 -3.192 0.261 513 HZ2 LYS 612 HZ2 LYS 612 84.353 -4.240 -0.575 514 HZ3 LYS 612 HZ3 LYS 612 84.472 -4.085 1.114 515 H GLU 613 HN GLU 613 79.347 -0.275 2.845 516 HA GLU 613 HA GLU 613 81.950 0.842 2.560 517 HB2 GLU 613 HB2 GLU 613 79.249 2.187 2.793 518 HB3 GLU 613 HB3 GLU 613 80.748 3.042 2.452 519 HG2 GLU 613 HG2 GLU 613 81.077 1.733 0.417 520 HG3 GLU 613 HG3 GLU 613 79.642 0.779 0.767 521 H TYR 614 HN TYR 614 79.548 0.939 5.175 522 HA TYR 614 HA TYR 614 80.777 2.874 6.809 523 HB2 TYR 614 HB2 TYR 614 79.094 0.473 7.558 524 HB3 TYR 614 HB3 TYR 614 79.603 1.700 8.705 525 HD1 TYR 614 HD1 TYR 614 76.769 0.740 7.404 526 HD2 TYR 614 HD2 TYR 614 79.270 4.226 7.071 527 HE1 TYR 614 HE1 TYR 614 74.793 2.103 6.800 528 HE2 TYR 614 HE2 TYR 614 77.287 5.585 6.466 529 HH TYR 614 HH TYR 614 75.039 5.227 5.492 530 H GLU 615 HN GLU 615 81.159 -0.648 6.670 531 HA GLU 615 HA GLU 615 82.992 -0.913 8.802 532 HB2 GLU 615 HB2 GLU 615 82.585 -2.600 6.328 533 HB3 GLU 615 HB3 GLU 615 83.635 -3.053 7.665 534 HG2 GLU 615 HG2 GLU 615 81.726 -2.991 9.208 535 HG3 GLU 615 HG3 GLU 615 80.666 -2.488 7.897 536 H GLY 616 HN GLY 616 83.440 -0.334 5.337 537 HA2 GLY 616 HA2 GLY 616 86.329 -0.415 5.502 538 HA3 GLY 616 HA3 GLY 616 85.371 -0.007 4.083 539 H GLY 617 HN GLY 617 87.587 1.447 4.566 540 HA2 GLY 617 HA2 GLY 617 87.042 4.040 4.279 541 HA3 GLY 617 HA3 GLY 617 86.900 3.879 6.027 Start of MODEL 7 1 H MET 551 HT1 MET 551 54.152 -8.060 2.546 2 HA MET 551 HA MET 551 56.433 -7.893 2.100 3 HB2 MET 551 HB2 MET 551 54.852 -7.440 -0.455 4 HB3 MET 551 HB3 MET 551 56.526 -7.982 -0.415 5 HG2 MET 551 HG2 MET 551 54.161 -9.441 0.806 6 HG3 MET 551 HG3 MET 551 54.998 -9.894 -0.675 7 HE1 MET 551 HE1 MET 551 58.175 -9.573 -0.014 8 HE2 MET 551 HE2 MET 551 57.205 -10.725 -0.932 9 HE3 MET 551 HE3 MET 551 58.311 -11.307 0.309 10 H SER 552 HN SER 552 58.155 -6.759 0.779 11 HA SER 552 HA SER 552 58.385 -4.063 1.563 12 HB2 SER 552 HB2 SER 552 59.879 -5.501 -0.638 13 HB3 SER 552 HB3 SER 552 60.376 -4.008 0.153 14 HG SER 552 HG SER 552 61.402 -5.668 1.196 15 H ALA 553 HN ALA 553 57.501 -5.522 -1.561 16 HA ALA 553 HA ALA 553 57.326 -3.122 -3.054 17 HB1 ALA 553 HB1 ALA 553 57.281 -4.993 -4.418 18 HB2 ALA 553 HB2 ALA 553 55.559 -4.618 -4.353 19 HB3 ALA 553 HB3 ALA 553 56.225 -5.892 -3.330 20 H TYR 554 HN TYR 554 55.036 -4.882 -1.061 21 HA TYR 554 HA TYR 554 52.704 -3.387 -1.603 22 HB2 TYR 554 HB2 TYR 554 52.746 -5.622 -0.565 23 HB3 TYR 554 HB3 TYR 554 53.519 -4.947 0.860 24 HD1 TYR 554 HD1 TYR 554 52.248 -3.855 2.559 25 HD2 TYR 554 HD2 TYR 554 50.410 -4.896 -1.181 26 HE1 TYR 554 HE1 TYR 554 50.016 -3.359 3.519 27 HE2 TYR 554 HE2 TYR 554 48.179 -4.396 -0.226 28 HH TYR 554 HH TYR 554 47.352 -2.804 1.804 29 H MET 555 HN MET 555 55.247 -3.069 0.874 30 HA MET 555 HA MET 555 54.092 -0.955 2.356 31 HB2 MET 555 HB2 MET 555 55.957 -2.355 3.185 32 HB3 MET 555 HB3 MET 555 57.027 -1.629 1.993 33 HG2 MET 555 HG2 MET 555 56.754 0.561 3.020 34 HG3 MET 555 HG3 MET 555 55.555 -0.079 4.139 35 HE1 MET 555 HE1 MET 555 60.082 -0.623 4.127 36 HE2 MET 555 HE2 MET 555 59.042 -0.014 2.845 37 HE3 MET 555 HE3 MET 555 59.217 -1.753 3.081 38 H LEU 556 HN LEU 556 56.446 -0.891 -0.351 39 HA LEU 556 HA LEU 556 56.784 1.923 -0.439 40 HB2 LEU 556 HB2 LEU 556 57.042 -0.165 -2.617 41 HB3 LEU 556 HB3 LEU 556 57.493 1.521 -2.823 42 HG LEU 556 HG LEU 556 58.658 -0.274 -0.674 43 HD11 LEU 556 HD11 LEU 556 59.822 0.538 -3.354 44 HD12 LEU 556 HD12 LEU 556 59.203 -1.070 -2.972 45 HD13 LEU 556 HD13 LEU 556 60.623 -0.448 -2.131 46 HD21 LEU 556 HD21 LEU 556 59.449 2.448 -1.781 47 HD22 LEU 556 HD22 LEU 556 60.428 1.512 -0.653 48 HD23 LEU 556 HD23 LEU 556 58.848 2.116 -0.156 49 H TRP 557 HN TRP 557 54.567 -0.252 -2.120 50 HA TRP 557 HA TRP 557 53.265 1.637 -3.777 51 HB2 TRP 557 HB2 TRP 557 53.190 -0.741 -4.211 52 HB3 TRP 557 HB3 TRP 557 52.444 -1.051 -2.656 53 HD1 TRP 557 HD1 TRP 557 51.652 -0.370 -6.218 54 HE1 TRP 557 HE1 TRP 557 49.100 -0.248 -6.547 55 HE3 TRP 557 HE3 TRP 557 50.146 -0.010 -1.340 56 HZ2 TRP 557 HZ2 TRP 557 46.722 -0.042 -4.936 57 HZ3 TRP 557 HZ3 TRP 557 47.747 0.165 -0.783 58 HH2 TRP 557 HH2 TRP 557 46.033 0.146 -2.565 59 H LEU 558 HN LEU 558 52.516 0.368 -0.555 60 HA LEU 558 HA LEU 558 50.045 1.686 -0.170 61 HB2 LEU 558 HB2 LEU 558 51.248 -0.231 1.191 62 HB3 LEU 558 HB3 LEU 558 51.889 1.109 2.126 63 HG LEU 558 HG LEU 558 48.946 0.507 1.656 64 HD11 LEU 558 HD11 LEU 558 50.205 -1.046 3.180 65 HD12 LEU 558 HD12 LEU 558 48.914 -0.152 3.986 66 HD13 LEU 558 HD13 LEU 558 50.593 0.345 4.192 67 HD21 LEU 558 HD21 LEU 558 50.354 2.740 3.149 68 HD22 LEU 558 HD22 LEU 558 48.712 2.246 3.569 69 HD23 LEU 558 HD23 LEU 558 49.056 2.870 1.959 70 H ASN 559 HN ASN 559 53.391 2.614 0.647 71 HA ASN 559 HA ASN 559 52.789 4.955 2.092 72 HB2 ASN 559 HB2 ASN 559 54.993 3.898 2.117 73 HB3 ASN 559 HB3 ASN 559 55.213 4.275 0.413 74 HD21 ASN 559 HD21 ASN 559 56.988 5.745 0.643 75 HD22 ASN 559 HD22 ASN 559 56.860 7.215 1.477 76 H ALA 560 HN ALA 560 53.502 4.504 -1.364 77 HA ALA 560 HA ALA 560 53.187 7.272 -2.031 78 HB1 ALA 560 HB1 ALA 560 53.364 4.733 -3.638 79 HB2 ALA 560 HB2 ALA 560 54.538 6.044 -3.513 80 HB3 ALA 560 HB3 ALA 560 53.037 6.288 -4.404 81 H SER 561 HN SER 561 51.119 4.426 -2.170 82 HA SER 561 HA SER 561 48.924 5.721 -3.471 83 HB2 SER 561 HB2 SER 561 49.192 3.075 -2.061 84 HB3 SER 561 HB3 SER 561 47.679 3.630 -2.763 85 HG SER 561 HG SER 561 48.435 3.056 -4.625 86 H ARG 562 HN ARG 562 49.898 5.422 -0.139 87 HA ARG 562 HA ARG 562 47.479 5.608 1.217 88 HB2 ARG 562 HB2 ARG 562 49.663 5.274 2.318 89 HB3 ARG 562 HB3 ARG 562 50.103 6.935 1.956 90 HG2 ARG 562 HG2 ARG 562 48.237 7.730 3.350 91 HG3 ARG 562 HG3 ARG 562 47.770 6.064 3.687 92 HD2 ARG 562 HD2 ARG 562 49.111 6.949 5.542 93 HD3 ARG 562 HD3 ARG 562 49.981 5.661 4.720 94 HE ARG 562 HE ARG 562 51.532 7.233 3.948 95 HH11 ARG 562 HH11 ARG 562 48.847 8.874 5.486 96 HH12 ARG 562 HH12 ARG 562 49.671 10.394 5.554 97 HH21 ARG 562 HH21 ARG 562 52.576 9.224 4.094 98 HH22 ARG 562 HH22 ARG 562 51.756 10.589 4.775 99 H GLU 563 HN GLU 563 49.480 8.290 -0.065 100 HA GLU 563 HA GLU 563 47.720 10.356 0.821 101 HB2 GLU 563 HB2 GLU 563 49.823 10.334 -1.351 102 HB3 GLU 563 HB3 GLU 563 48.951 11.776 -0.839 103 HG2 GLU 563 HG2 GLU 563 50.643 10.036 0.981 104 HG3 GLU 563 HG3 GLU 563 51.171 11.555 0.273 105 H LYS 564 HN LYS 564 48.060 8.562 -2.201 106 HA LYS 564 HA LYS 564 46.214 10.030 -3.761 107 HB2 LYS 564 HB2 LYS 564 47.886 8.411 -4.661 108 HB3 LYS 564 HB3 LYS 564 46.937 7.094 -3.985 109 HG2 LYS 564 HG2 LYS 564 45.027 7.715 -5.405 110 HG3 LYS 564 HG3 LYS 564 45.936 9.079 -6.053 111 HD2 LYS 564 HD2 LYS 564 47.632 7.533 -6.954 112 HD3 LYS 564 HD3 LYS 564 46.740 6.163 -6.298 113 HE2 LYS 564 HE2 LYS 564 46.237 6.409 -8.677 114 HE3 LYS 564 HE3 LYS 564 44.796 6.780 -7.734 115 HZ1 LYS 564 HZ1 LYS 564 45.193 8.403 -9.497 116 HZ2 LYS 564 HZ2 LYS 564 46.701 8.787 -8.815 117 HZ3 LYS 564 HZ3 LYS 564 45.270 9.121 -7.963 118 H ILE 565 HN ILE 565 45.798 7.117 -1.758 119 HA ILE 565 HA ILE 565 43.071 6.679 -2.362 120 HB ILE 565 HB ILE 565 44.685 5.865 0.088 121 HG12 ILE 565 HG12 ILE 565 43.857 4.163 -2.285 122 HG13 ILE 565 HG13 ILE 565 45.371 5.054 -2.276 123 HG21 ILE 565 HG21 ILE 565 42.057 4.756 -0.982 124 HG22 ILE 565 HG22 ILE 565 42.175 5.821 0.414 125 HG23 ILE 565 HG23 ILE 565 42.901 4.215 0.469 126 HD11 ILE 565 HD11 ILE 565 44.511 2.871 -0.360 127 HD12 ILE 565 HD12 ILE 565 45.904 3.910 -0.063 128 HD13 ILE 565 HD13 ILE 565 45.884 2.846 -1.469 129 H LYS 566 HN LYS 566 44.691 8.439 0.303 130 HA LYS 566 HA LYS 566 42.346 9.143 1.712 131 HB2 LYS 566 HB2 LYS 566 45.084 10.408 1.597 132 HB3 LYS 566 HB3 LYS 566 43.790 11.070 2.587 133 HG2 LYS 566 HG2 LYS 566 43.585 8.924 3.764 134 HG3 LYS 566 HG3 LYS 566 44.883 8.251 2.778 135 HD2 LYS 566 HD2 LYS 566 46.452 9.911 3.663 136 HD3 LYS 566 HD3 LYS 566 45.159 10.674 4.585 137 HE2 LYS 566 HE2 LYS 566 44.857 8.586 5.876 138 HE3 LYS 566 HE3 LYS 566 46.167 7.837 4.967 139 HZ1 LYS 566 HZ1 LYS 566 47.298 8.599 6.775 140 HZ2 LYS 566 HZ2 LYS 566 46.271 9.932 7.013 141 HZ3 LYS 566 HZ3 LYS 566 47.439 9.965 5.778 142 H SER 567 HN SER 567 44.122 10.812 -0.874 143 HA SER 567 HA SER 567 42.496 13.150 -0.888 144 HB2 SER 567 HB2 SER 567 44.219 11.975 -3.077 145 HB3 SER 567 HB3 SER 567 43.526 13.593 -3.083 146 HG SER 567 HG SER 567 44.687 13.998 -1.154 147 H ASP 568 HN ASP 568 42.390 10.102 -2.689 148 HA ASP 568 HA ASP 568 40.243 10.873 -4.421 149 HB2 ASP 568 HB2 ASP 568 41.346 8.165 -3.665 150 HB3 ASP 568 HB3 ASP 568 40.107 8.418 -4.889 151 H HIS 569 HN HIS 569 40.427 9.364 -1.249 152 HA HIS 569 HA HIS 569 37.478 9.465 -1.091 153 HB2 HIS 569 HB2 HIS 569 38.934 7.278 0.378 154 HB3 HIS 569 HB3 HIS 569 37.252 7.348 -0.123 155 HD2 HIS 569 HD2 HIS 569 40.753 6.418 -1.651 156 HE1 HIS 569 HE1 HIS 569 37.770 5.243 -4.395 157 HE2 HIS 569 HE2 HIS 569 40.245 5.140 -3.866 158 HA PRO 570 HA PRO 570 39.609 11.761 2.386 159 HB2 PRO 570 HB2 PRO 570 37.476 13.749 1.882 160 HB3 PRO 570 HB3 PRO 570 39.231 13.984 1.992 161 HG2 PRO 570 HG2 PRO 570 37.959 14.172 -0.334 162 HG3 PRO 570 HG3 PRO 570 39.574 13.445 -0.220 163 HD2 PRO 570 HD2 PRO 570 36.905 12.058 -0.412 164 HD3 PRO 570 HD3 PRO 570 38.418 11.702 -1.282 165 H GLY 571 HN GLY 571 38.969 11.756 4.509 166 HA2 GLY 571 HA2 GLY 571 37.453 11.777 6.309 167 HA3 GLY 571 HA3 GLY 571 36.139 11.460 5.186 168 H ILE 572 HN ILE 572 38.633 9.321 4.464 169 HA ILE 572 HA ILE 572 37.211 7.169 5.817 170 HB ILE 572 HB ILE 572 37.818 6.888 3.433 171 HG12 ILE 572 HG12 ILE 572 39.397 4.939 5.123 172 HG13 ILE 572 HG13 ILE 572 37.636 4.982 5.155 173 HG21 ILE 572 HG21 ILE 572 39.959 8.123 3.451 174 HG22 ILE 572 HG22 ILE 572 40.169 6.492 2.813 175 HG23 ILE 572 HG23 ILE 572 40.675 6.870 4.461 176 HD11 ILE 572 HD11 ILE 572 38.750 3.338 3.512 177 HD12 ILE 572 HD12 ILE 572 39.150 4.766 2.557 178 HD13 ILE 572 HD13 ILE 572 37.463 4.368 2.885 179 H SER 573 HN SER 573 38.005 5.907 7.403 180 HA SER 573 HA SER 573 39.914 6.991 9.181 181 HB2 SER 573 HB2 SER 573 38.524 4.326 9.011 182 HB3 SER 573 HB3 SER 573 39.711 4.674 10.267 183 HG SER 573 HG SER 573 37.257 5.230 10.455 184 H ILE 574 HN ILE 574 41.918 6.124 9.863 185 HA ILE 574 HA ILE 574 43.723 5.487 7.783 186 HB ILE 574 HB ILE 574 44.102 5.087 10.761 187 HG12 ILE 574 HG12 ILE 574 43.391 7.404 10.301 188 HG13 ILE 574 HG13 ILE 574 45.080 7.366 10.781 189 HG21 ILE 574 HG21 ILE 574 45.862 3.989 9.532 190 HG22 ILE 574 HG22 ILE 574 46.524 5.486 10.187 191 HG23 ILE 574 HG23 ILE 574 46.077 5.391 8.483 192 HD11 ILE 574 HD11 ILE 574 44.940 8.880 8.917 193 HD12 ILE 574 HD12 ILE 574 43.962 7.746 7.985 194 HD13 ILE 574 HD13 ILE 574 45.662 7.398 8.291 195 H THR 575 HN THR 575 42.199 3.518 10.299 196 HA THR 575 HA THR 575 43.501 1.083 9.747 197 HB THR 575 HB THR 575 40.668 1.388 10.752 198 HG1 THR 575 HG3 THR 575 41.470 2.200 12.506 199 HG21 THR 575 HG21 THR 575 41.307 -0.649 12.041 200 HG22 THR 575 HG22 THR 575 42.855 -0.659 11.199 201 HG23 THR 575 HG23 THR 575 41.360 -0.903 10.297 202 H ASP 576 HN ASP 576 40.478 2.483 8.515 203 HA ASP 576 HA ASP 576 39.719 0.297 6.877 204 HB2 ASP 576 HB2 ASP 576 38.997 3.201 6.984 205 HB3 ASP 576 HB3 ASP 576 38.496 2.239 5.597 206 H LEU 577 HN LEU 577 41.830 3.080 6.353 207 HA LEU 577 HA LEU 577 42.113 2.916 3.552 208 HB2 LEU 577 HB2 LEU 577 43.921 3.936 5.729 209 HB3 LEU 577 HB3 LEU 577 44.450 3.911 4.056 210 HG LEU 577 HG LEU 577 41.919 5.276 5.008 211 HD11 LEU 577 HD11 LEU 577 44.526 6.585 4.209 212 HD12 LEU 577 HD12 LEU 577 44.153 6.200 5.886 213 HD13 LEU 577 HD13 LEU 577 43.135 7.327 4.995 214 HD21 LEU 577 HD21 LEU 577 42.312 6.475 2.748 215 HD22 LEU 577 HD22 LEU 577 41.727 4.813 2.672 216 HD23 LEU 577 HD23 LEU 577 43.432 5.162 2.385 217 H SER 578 HN SER 578 43.880 1.333 6.199 218 HA SER 578 HA SER 578 45.878 0.107 4.653 219 HB2 SER 578 HB2 SER 578 44.600 -0.847 7.228 220 HB3 SER 578 HB3 SER 578 46.102 -1.469 6.552 221 HG SER 578 HG SER 578 46.898 0.707 6.665 222 H LYS 579 HN LYS 579 42.662 -1.075 5.623 223 HA LYS 579 HA LYS 579 42.881 -3.604 4.307 224 HB2 LYS 579 HB2 LYS 579 40.458 -2.009 5.177 225 HB3 LYS 579 HB3 LYS 579 40.377 -3.640 4.519 226 HG2 LYS 579 HG2 LYS 579 41.833 -4.443 6.354 227 HG3 LYS 579 HG3 LYS 579 41.869 -2.813 7.025 228 HD2 LYS 579 HD2 LYS 579 39.416 -2.867 7.293 229 HD3 LYS 579 HD3 LYS 579 39.378 -4.495 6.620 230 HE2 LYS 579 HE2 LYS 579 40.799 -5.292 8.481 231 HE3 LYS 579 HE3 LYS 579 40.820 -3.665 9.156 232 HZ1 LYS 579 HZ1 LYS 579 38.670 -3.809 9.827 233 HZ2 LYS 579 HZ2 LYS 579 39.070 -5.458 9.918 234 HZ3 LYS 579 HZ3 LYS 579 38.216 -4.862 8.576 235 H LYS 580 HN LYS 580 41.557 -0.464 3.413 236 HA LYS 580 HA LYS 580 40.421 -1.142 0.922 237 HB2 LYS 580 HB2 LYS 580 40.176 1.012 2.357 238 HB3 LYS 580 HB3 LYS 580 41.634 1.551 1.531 239 HG2 LYS 580 HG2 LYS 580 40.564 1.401 -0.620 240 HG3 LYS 580 HG3 LYS 580 39.158 0.593 0.071 241 HD2 LYS 580 HD2 LYS 580 38.675 2.607 1.402 242 HD3 LYS 580 HD3 LYS 580 40.053 3.422 0.671 243 HE2 LYS 580 HE2 LYS 580 39.029 3.320 -1.516 244 HE3 LYS 580 HE3 LYS 580 37.732 2.291 -0.914 245 HZ1 LYS 580 HZ1 LYS 580 36.890 4.049 0.400 246 HZ2 LYS 580 HZ2 LYS 580 37.162 4.696 -1.146 247 HZ3 LYS 580 HZ3 LYS 580 38.249 5.023 0.118 248 H ALA 581 HN ALA 581 43.657 -0.139 1.863 249 HA ALA 581 HA ALA 581 44.769 0.280 -0.692 250 HB1 ALA 581 HB1 ALA 581 46.198 1.066 0.922 251 HB2 ALA 581 HB2 ALA 581 46.899 -0.544 0.754 252 HB3 ALA 581 HB3 ALA 581 45.769 -0.208 2.063 253 H GLY 582 HN GLY 582 44.475 -2.601 1.352 254 HA2 GLY 582 HA2 GLY 582 45.975 -4.378 -0.261 255 HA3 GLY 582 HA3 GLY 582 44.758 -4.843 0.924 256 H GLU 583 HN GLU 583 42.532 -3.497 -0.219 257 HA GLU 583 HA GLU 583 41.638 -5.425 -2.089 258 HB2 GLU 583 HB2 GLU 583 40.527 -2.705 -1.378 259 HB3 GLU 583 HB3 GLU 583 39.716 -3.849 -2.443 260 HG2 GLU 583 HG2 GLU 583 39.649 -5.514 -0.648 261 HG3 GLU 583 HG3 GLU 583 40.524 -4.426 0.421 262 H ILE 584 HN ILE 584 42.971 -2.156 -2.519 263 HA ILE 584 HA ILE 584 42.380 -1.929 -5.279 264 HB ILE 584 HB ILE 584 44.538 -0.604 -3.600 265 HG12 ILE 584 HG12 ILE 584 41.937 0.480 -4.734 266 HG13 ILE 584 HG13 ILE 584 42.072 -0.192 -3.114 267 HG21 ILE 584 HG21 ILE 584 44.690 1.027 -5.498 268 HG22 ILE 584 HG22 ILE 584 43.619 -0.007 -6.445 269 HG23 ILE 584 HG23 ILE 584 45.215 -0.588 -5.978 270 HD11 ILE 584 HD11 ILE 584 42.321 2.402 -3.452 271 HD12 ILE 584 HD12 ILE 584 43.956 1.994 -3.980 272 HD13 ILE 584 HD13 ILE 584 43.421 1.567 -2.353 273 H TRP 585 HN TRP 585 45.232 -3.170 -3.566 274 HA TRP 585 HA TRP 585 46.895 -3.712 -5.752 275 HB2 TRP 585 HB2 TRP 585 46.720 -4.491 -2.940 276 HB3 TRP 585 HB3 TRP 585 47.262 -5.847 -3.919 277 HD1 TRP 585 HD1 TRP 585 48.590 -3.057 -2.120 278 HE1 TRP 585 HE1 TRP 585 50.960 -2.410 -2.957 279 HE3 TRP 585 HE3 TRP 585 48.663 -5.629 -6.499 280 HZ2 TRP 585 HZ2 TRP 585 52.655 -2.929 -5.261 281 HZ3 TRP 585 HZ3 TRP 585 50.633 -5.548 -7.993 282 HH2 TRP 585 HH2 TRP 585 52.615 -4.206 -7.375 283 H LYS 586 HN LYS 586 44.405 -5.696 -4.238 284 HA LYS 586 HA LYS 586 44.770 -8.040 -5.742 285 HB2 LYS 586 HB2 LYS 586 42.295 -6.919 -4.417 286 HB3 LYS 586 HB3 LYS 586 42.356 -8.514 -5.158 287 HG2 LYS 586 HG2 LYS 586 44.189 -9.159 -3.648 288 HG3 LYS 586 HG3 LYS 586 44.161 -7.557 -2.916 289 HD2 LYS 586 HD2 LYS 586 41.825 -7.935 -2.192 290 HD3 LYS 586 HD3 LYS 586 41.863 -9.540 -2.916 291 HE2 LYS 586 HE2 LYS 586 43.706 -10.178 -1.389 292 HE3 LYS 586 HE3 LYS 586 43.648 -8.574 -0.660 293 HZ1 LYS 586 HZ1 LYS 586 42.365 -9.934 0.724 294 HZ2 LYS 586 HZ2 LYS 586 41.587 -10.698 -0.580 295 HZ3 LYS 586 HZ3 LYS 586 41.226 -9.081 -0.201 296 H GLY 587 HN GLY 587 42.869 -5.137 -6.465 297 HA2 GLY 587 HA2 GLY 587 41.704 -6.275 -8.871 298 HA3 GLY 587 HA3 GLY 587 41.526 -4.621 -8.304 299 H MET 588 HN MET 588 44.554 -4.463 -8.070 300 HA MET 588 HA MET 588 45.051 -3.329 -10.642 301 HB2 MET 588 HB2 MET 588 45.965 -2.496 -8.442 302 HB3 MET 588 HB3 MET 588 47.084 -3.857 -8.471 303 HG2 MET 588 HG2 MET 588 48.097 -3.089 -10.491 304 HG3 MET 588 HG3 MET 588 46.831 -1.895 -10.754 305 HE1 MET 588 HE1 MET 588 49.038 -2.434 -7.131 306 HE2 MET 588 HE2 MET 588 50.428 -1.931 -8.085 307 HE3 MET 588 HE3 MET 588 49.443 -3.286 -8.627 308 H SER 589 HN SER 589 46.704 -3.889 -12.109 309 HA SER 589 HA SER 589 46.694 -6.574 -12.909 310 HB2 SER 589 HB2 SER 589 47.978 -5.868 -14.727 311 HB3 SER 589 HB3 SER 589 47.139 -4.399 -14.246 312 HG SER 589 HG SER 589 49.158 -3.704 -14.279 313 H LYS 590 HN LYS 590 48.314 -8.122 -13.069 314 HA LYS 590 HA LYS 590 49.861 -8.621 -10.761 315 HB2 LYS 590 HB2 LYS 590 49.963 -9.835 -13.530 316 HB3 LYS 590 HB3 LYS 590 50.858 -10.458 -12.150 317 HG2 LYS 590 HG2 LYS 590 48.767 -10.861 -10.940 318 HG3 LYS 590 HG3 LYS 590 47.842 -10.166 -12.271 319 HD2 LYS 590 HD2 LYS 590 48.676 -11.917 -13.779 320 HD3 LYS 590 HD3 LYS 590 49.625 -12.611 -12.468 321 HE2 LYS 590 HE2 LYS 590 47.534 -13.032 -11.194 322 HE3 LYS 590 HE3 LYS 590 46.598 -12.370 -12.532 323 HZ1 LYS 590 HZ1 LYS 590 46.720 -14.804 -12.579 324 HZ2 LYS 590 HZ2 LYS 590 48.411 -14.718 -12.725 325 HZ3 LYS 590 HZ3 LYS 590 47.417 -14.109 -13.961 326 H GLU 591 HN GLU 591 50.674 -7.271 -13.918 327 HA GLU 591 HA GLU 591 53.456 -7.377 -13.863 328 HB2 GLU 591 HB2 GLU 591 51.618 -5.277 -15.018 329 HB3 GLU 591 HB3 GLU 591 53.356 -5.298 -15.293 330 HG2 GLU 591 HG2 GLU 591 53.202 -7.504 -16.324 331 HG3 GLU 591 HG3 GLU 591 51.482 -7.583 -15.966 332 H LYS 592 HN LYS 592 51.278 -5.089 -12.273 333 HA LYS 592 HA LYS 592 53.196 -3.157 -11.520 334 HB2 LYS 592 HB2 LYS 592 50.579 -3.951 -10.236 335 HB3 LYS 592 HB3 LYS 592 51.547 -2.578 -9.709 336 HG2 LYS 592 HG2 LYS 592 50.552 -2.914 -12.549 337 HG3 LYS 592 HG3 LYS 592 49.676 -2.006 -11.323 338 HD2 LYS 592 HD2 LYS 592 51.659 -0.530 -11.030 339 HD3 LYS 592 HD3 LYS 592 52.483 -1.413 -12.312 340 HE2 LYS 592 HE2 LYS 592 50.736 -0.779 -13.907 341 HE3 LYS 592 HE3 LYS 592 49.866 0.074 -12.633 342 HZ1 LYS 592 HZ1 LYS 592 52.549 0.715 -13.721 343 HZ2 LYS 592 HZ2 LYS 592 51.904 1.438 -12.324 344 HZ3 LYS 592 HZ3 LYS 592 51.143 1.658 -13.827 345 H LYS 593 HN LYS 593 52.203 -6.186 -10.044 346 HA LYS 593 HA LYS 593 53.481 -5.862 -7.544 347 HB2 LYS 593 HB2 LYS 593 51.834 -7.737 -8.563 348 HB3 LYS 593 HB3 LYS 593 53.369 -8.572 -8.773 349 HG2 LYS 593 HG2 LYS 593 52.411 -7.380 -6.151 350 HG3 LYS 593 HG3 LYS 593 52.258 -9.082 -6.575 351 HD2 LYS 593 HD2 LYS 593 54.756 -9.162 -6.843 352 HD3 LYS 593 HD3 LYS 593 54.813 -7.504 -6.252 353 HE2 LYS 593 HE2 LYS 593 53.821 -8.170 -4.141 354 HE3 LYS 593 HE3 LYS 593 53.637 -9.827 -4.722 355 HZ1 LYS 593 HZ1 LYS 593 55.909 -10.168 -4.721 356 HZ2 LYS 593 HZ2 LYS 593 55.680 -9.242 -3.314 357 HZ3 LYS 593 HZ3 LYS 593 56.271 -8.511 -4.730 358 H GLU 594 HN GLU 594 54.567 -7.226 -10.592 359 HA GLU 594 HA GLU 594 57.117 -8.068 -9.766 360 HB2 GLU 594 HB2 GLU 594 55.976 -8.767 -11.845 361 HB3 GLU 594 HB3 GLU 594 56.210 -7.151 -12.500 362 HG2 GLU 594 HG2 GLU 594 58.640 -7.423 -12.364 363 HG3 GLU 594 HG3 GLU 594 58.443 -9.006 -11.624 364 H GLU 595 HN GLU 595 56.056 -4.914 -11.167 365 HA GLU 595 HA GLU 595 58.691 -3.877 -11.326 366 HB2 GLU 595 HB2 GLU 595 57.745 -1.725 -11.724 367 HB3 GLU 595 HB3 GLU 595 56.737 -2.902 -12.539 368 HG2 GLU 595 HG2 GLU 595 55.078 -2.746 -10.779 369 HG3 GLU 595 HG3 GLU 595 56.089 -1.654 -9.852 370 H TRP 596 HN TRP 596 56.220 -3.564 -8.801 371 HA TRP 596 HA TRP 596 57.743 -1.914 -7.069 372 HB2 TRP 596 HB2 TRP 596 55.482 -3.839 -6.513 373 HB3 TRP 596 HB3 TRP 596 56.232 -2.848 -5.268 374 HD1 TRP 596 HD1 TRP 596 53.512 -2.756 -7.709 375 HE1 TRP 596 HE1 TRP 596 52.609 -0.369 -8.001 376 HE3 TRP 596 HE3 TRP 596 57.230 -0.136 -5.398 377 HZ2 TRP 596 HZ2 TRP 596 53.354 2.320 -7.320 378 HZ3 TRP 596 HZ3 TRP 596 57.105 2.334 -5.223 379 HH2 TRP 596 HH2 TRP 596 55.177 3.566 -6.179 380 H ASP 597 HN ASP 597 57.457 -5.436 -7.387 381 HA ASP 597 HA ASP 597 58.957 -6.196 -5.123 382 HB2 ASP 597 HB2 ASP 597 57.556 -7.751 -6.426 383 HB3 ASP 597 HB3 ASP 597 58.661 -7.605 -7.789 384 H ARG 598 HN ARG 598 59.907 -5.463 -8.456 385 HA ARG 598 HA ARG 598 62.657 -6.106 -8.222 386 HB2 ARG 598 HB2 ARG 598 61.170 -4.235 -10.071 387 HB3 ARG 598 HB3 ARG 598 62.896 -4.549 -10.207 388 HG2 ARG 598 HG2 ARG 598 60.815 -6.750 -10.247 389 HG3 ARG 598 HG3 ARG 598 61.414 -5.973 -11.708 390 HD2 ARG 598 HD2 ARG 598 63.745 -6.633 -10.993 391 HD3 ARG 598 HD3 ARG 598 63.013 -7.557 -9.686 392 HE ARG 598 HE ARG 598 62.105 -8.135 -12.413 393 HH11 ARG 598 HH11 ARG 598 64.037 -9.148 -9.657 394 HH12 ARG 598 HH12 ARG 598 64.171 -10.775 -10.223 395 HH21 ARG 598 HH21 ARG 598 62.346 -10.257 -13.102 396 HH22 ARG 598 HH22 ARG 598 63.235 -11.393 -12.143 397 H LYS 599 HN LYS 599 60.831 -3.087 -7.664 398 HA LYS 599 HA LYS 599 63.056 -1.381 -7.262 399 HB2 LYS 599 HB2 LYS 599 60.269 -1.229 -6.080 400 HB3 LYS 599 HB3 LYS 599 61.479 0.036 -5.925 401 HG2 LYS 599 HG2 LYS 599 61.547 0.268 -8.387 402 HG3 LYS 599 HG3 LYS 599 60.311 -0.981 -8.530 403 HD2 LYS 599 HD2 LYS 599 58.802 0.417 -7.095 404 HD3 LYS 599 HD3 LYS 599 60.021 1.684 -7.116 405 HE2 LYS 599 HE2 LYS 599 58.746 0.548 -9.622 406 HE3 LYS 599 HE3 LYS 599 58.168 1.993 -8.799 407 HZ1 LYS 599 HZ1 LYS 599 60.060 1.951 -10.723 408 HZ2 LYS 599 HZ2 LYS 599 61.001 2.009 -9.310 409 HZ3 LYS 599 HZ3 LYS 599 59.834 3.208 -9.607 410 H ALA 600 HN ALA 600 61.153 -3.374 -5.036 411 HA ALA 600 HA ALA 600 62.430 -2.588 -2.642 412 HB1 ALA 600 HB1 ALA 600 60.890 -5.064 -3.422 413 HB2 ALA 600 HB2 ALA 600 60.329 -3.688 -2.472 414 HB3 ALA 600 HB3 ALA 600 61.513 -4.805 -1.791 415 H GLU 601 HN GLU 601 63.112 -5.175 -4.961 416 HA GLU 601 HA GLU 601 65.159 -6.450 -3.449 417 HB2 GLU 601 HB2 GLU 601 63.928 -7.519 -5.323 418 HB3 GLU 601 HB3 GLU 601 64.744 -6.439 -6.448 419 HG2 GLU 601 HG2 GLU 601 66.917 -7.357 -5.810 420 HG3 GLU 601 HG3 GLU 601 66.164 -8.369 -4.585 421 H ASP 602 HN ASP 602 65.187 -3.881 -5.915 422 HA ASP 602 HA ASP 602 68.001 -3.696 -6.198 423 HB2 ASP 602 HB2 ASP 602 65.713 -1.841 -6.759 424 HB3 ASP 602 HB3 ASP 602 67.357 -1.214 -6.811 425 H ALA 603 HN ALA 603 65.722 -2.177 -3.962 426 HA ALA 603 HA ALA 603 67.557 -0.391 -2.746 427 HB1 ALA 603 HB1 ALA 603 65.906 -0.327 -0.887 428 HB2 ALA 603 HB2 ALA 603 65.035 -1.657 -1.651 429 HB3 ALA 603 HB3 ALA 603 65.158 -0.099 -2.468 430 H ARG 604 HN ARG 604 66.641 -3.744 -2.077 431 HA ARG 604 HA ARG 604 68.025 -4.083 0.361 432 HB2 ARG 604 HB2 ARG 604 66.318 -5.664 -0.504 433 HB3 ARG 604 HB3 ARG 604 67.426 -6.146 -1.785 434 HG2 ARG 604 HG2 ARG 604 69.046 -6.912 -0.069 435 HG3 ARG 604 HG3 ARG 604 67.903 -6.469 1.195 436 HD2 ARG 604 HD2 ARG 604 67.271 -8.438 -1.018 437 HD3 ARG 604 HD3 ARG 604 67.883 -8.922 0.558 438 HE ARG 604 HE ARG 604 65.616 -7.311 0.970 439 HH11 ARG 604 HH11 ARG 604 66.390 -10.423 -0.451 440 HH12 ARG 604 HH12 ARG 604 64.842 -11.106 -0.074 441 HH21 ARG 604 HH21 ARG 604 63.621 -8.277 1.470 442 HH22 ARG 604 HH22 ARG 604 63.306 -9.913 0.996 443 H ARG 605 HN ARG 605 69.024 -4.586 -3.020 444 HA ARG 605 HA ARG 605 71.635 -5.567 -2.489 445 HB2 ARG 605 HB2 ARG 605 70.475 -5.764 -4.687 446 HB3 ARG 605 HB3 ARG 605 70.645 -4.026 -4.909 447 HG2 ARG 605 HG2 ARG 605 73.117 -4.279 -4.770 448 HG3 ARG 605 HG3 ARG 605 72.911 -6.024 -4.637 449 HD2 ARG 605 HD2 ARG 605 71.899 -4.354 -6.955 450 HD3 ARG 605 HD3 ARG 605 73.408 -5.257 -6.972 451 HE ARG 605 HE ARG 605 70.715 -6.351 -7.153 452 HH11 ARG 605 HH11 ARG 605 74.098 -7.043 -6.552 453 HH12 ARG 605 HH12 ARG 605 73.939 -8.722 -6.952 454 HH21 ARG 605 HH21 ARG 605 70.574 -8.532 -7.705 455 HH22 ARG 605 HH22 ARG 605 71.972 -9.551 -7.598 456 H ASP 606 HN ASP 606 70.337 -2.303 -3.019 457 HA ASP 606 HA ASP 606 72.807 -0.912 -2.988 458 HB2 ASP 606 HB2 ASP 606 69.934 -0.160 -2.619 459 HB3 ASP 606 HB3 ASP 606 71.179 1.016 -2.216 460 H TYR 607 HN TYR 607 70.515 -1.746 -0.398 461 HA TYR 607 HA TYR 607 71.774 -0.291 1.687 462 HB2 TYR 607 HB2 TYR 607 69.460 -1.365 1.720 463 HB3 TYR 607 HB3 TYR 607 70.276 -2.892 2.034 464 HD1 TYR 607 HD1 TYR 607 71.698 -3.138 4.153 465 HD2 TYR 607 HD2 TYR 607 69.177 0.281 3.434 466 HE1 TYR 607 HE1 TYR 607 71.766 -2.571 6.564 467 HE2 TYR 607 HE2 TYR 607 69.259 0.839 5.848 468 HH TYR 607 HH TYR 607 71.422 -0.188 7.919 469 H GLU 608 HN GLU 608 72.123 -3.605 0.511 470 HA GLU 608 HA GLU 608 73.932 -4.621 2.385 471 HB2 GLU 608 HB2 GLU 608 72.718 -5.921 0.634 472 HB3 GLU 608 HB3 GLU 608 73.779 -5.221 -0.581 473 HG2 GLU 608 HG2 GLU 608 75.728 -6.250 0.496 474 HG3 GLU 608 HG3 GLU 608 74.703 -6.898 1.771 475 H LYS 609 HN LYS 609 74.473 -2.716 -0.558 476 HA LYS 609 HA LYS 609 77.292 -2.858 -0.647 477 HB2 LYS 609 HB2 LYS 609 75.839 -2.027 -2.497 478 HB3 LYS 609 HB3 LYS 609 75.499 -0.584 -1.547 479 HG2 LYS 609 HG2 LYS 609 77.873 0.011 -1.549 480 HG3 LYS 609 HG3 LYS 609 78.264 -1.467 -2.426 481 HD2 LYS 609 HD2 LYS 609 76.874 -0.700 -4.322 482 HD3 LYS 609 HD3 LYS 609 76.506 0.785 -3.445 483 HE2 LYS 609 HE2 LYS 609 78.901 1.361 -3.399 484 HE3 LYS 609 HE3 LYS 609 79.281 -0.131 -4.256 485 HZ1 LYS 609 HZ1 LYS 609 78.968 2.100 -5.540 486 HZ2 LYS 609 HZ2 LYS 609 77.319 1.709 -5.427 487 HZ3 LYS 609 HZ3 LYS 609 78.396 0.644 -6.197 488 H ALA 610 HN ALA 610 75.072 -0.591 0.957 489 HA ALA 610 HA ALA 610 77.041 1.169 1.996 490 HB1 ALA 610 HB1 ALA 610 74.741 1.881 1.961 491 HB2 ALA 610 HB2 ALA 610 75.257 1.797 3.646 492 HB3 ALA 610 HB3 ALA 610 74.252 0.516 2.966 493 H MET 611 HN MET 611 75.597 -1.817 3.221 494 HA MET 611 HA MET 611 76.702 -1.735 5.829 495 HB2 MET 611 HB2 MET 611 75.909 -4.119 4.133 496 HB3 MET 611 HB3 MET 611 76.247 -4.175 5.859 497 HG2 MET 611 HG2 MET 611 74.025 -2.613 4.519 498 HG3 MET 611 HG3 MET 611 73.826 -4.057 5.489 499 HE1 MET 611 HE1 MET 611 74.734 -2.998 9.025 500 HE2 MET 611 HE2 MET 611 75.296 -4.093 7.760 501 HE3 MET 611 HE3 MET 611 73.576 -4.001 8.137 502 H LYS 612 HN LYS 612 77.901 -2.951 2.726 503 HA LYS 612 HA LYS 612 80.186 -4.311 3.691 504 HB2 LYS 612 HB2 LYS 612 79.647 -2.998 1.019 505 HB3 LYS 612 HB3 LYS 612 81.071 -3.974 1.357 506 HG2 LYS 612 HG2 LYS 612 78.234 -4.985 1.690 507 HG3 LYS 612 HG3 LYS 612 79.179 -5.220 0.227 508 HD2 LYS 612 HD2 LYS 612 80.904 -6.418 1.576 509 HD3 LYS 612 HD3 LYS 612 79.881 -6.235 3.000 510 HE2 LYS 612 HE2 LYS 612 78.078 -7.484 1.876 511 HE3 LYS 612 HE3 LYS 612 79.097 -7.670 0.450 512 HZ1 LYS 612 HZ1 LYS 612 79.363 -9.635 1.652 513 HZ2 LYS 612 HZ2 LYS 612 79.482 -8.829 3.143 514 HZ3 LYS 612 HZ3 LYS 612 80.753 -8.734 2.019 515 H GLU 613 HN GLU 613 79.702 -0.925 2.675 516 HA GLU 613 HA GLU 613 82.485 -0.250 3.171 517 HB2 GLU 613 HB2 GLU 613 80.090 1.481 2.527 518 HB3 GLU 613 HB3 GLU 613 81.713 2.107 2.790 519 HG2 GLU 613 HG2 GLU 613 82.564 0.774 0.923 520 HG3 GLU 613 HG3 GLU 613 80.974 0.062 0.678 521 H TYR 614 HN TYR 614 79.452 -0.131 4.902 522 HA TYR 614 HA TYR 614 80.090 1.719 6.930 523 HB2 TYR 614 HB2 TYR 614 77.804 0.921 6.522 524 HB3 TYR 614 HB3 TYR 614 78.267 -0.706 7.000 525 HD1 TYR 614 HD1 TYR 614 77.951 -1.368 9.236 526 HD2 TYR 614 HD2 TYR 614 78.272 2.821 8.314 527 HE1 TYR 614 HE1 TYR 614 77.433 -0.811 11.593 528 HE2 TYR 614 HE2 TYR 614 77.757 3.376 10.676 529 HH TYR 614 HH TYR 614 77.759 1.033 13.172 530 H GLU 615 HN GLU 615 80.466 -1.816 6.759 531 HA GLU 615 HA GLU 615 81.607 -2.163 9.329 532 HB2 GLU 615 HB2 GLU 615 81.830 -3.818 6.812 533 HB3 GLU 615 HB3 GLU 615 82.483 -4.314 8.370 534 HG2 GLU 615 HG2 GLU 615 80.239 -4.198 9.363 535 HG3 GLU 615 HG3 GLU 615 79.574 -3.665 7.825 536 H GLY 616 HN GLY 616 83.035 -1.614 6.127 537 HA2 GLY 616 HA2 GLY 616 85.551 -0.815 7.433 538 HA3 GLY 616 HA3 GLY 616 85.604 -2.031 6.162 539 H GLY 617 HN GLY 617 86.512 0.905 6.511 540 HA2 GLY 617 HA2 GLY 617 86.151 1.657 3.762 541 HA3 GLY 617 HA3 GLY 617 85.242 2.690 4.862 Start of MODEL 8 1 H MET 551 HT1 MET 551 54.858 -8.669 -2.100 2 HA MET 551 HA MET 551 53.600 -9.213 0.109 3 HB2 MET 551 HB2 MET 551 56.443 -10.164 0.584 4 HB3 MET 551 HB3 MET 551 55.306 -9.772 1.873 5 HG2 MET 551 HG2 MET 551 53.753 -11.509 1.064 6 HG3 MET 551 HG3 MET 551 54.862 -11.895 -0.258 7 HE1 MET 551 HE1 MET 551 54.939 -14.772 1.027 8 HE2 MET 551 HE2 MET 551 53.601 -13.756 1.556 9 HE3 MET 551 HE3 MET 551 54.595 -14.583 2.752 10 H SER 552 HN SER 552 57.015 -8.246 -0.376 11 HA SER 552 HA SER 552 56.816 -5.871 1.159 12 HB2 SER 552 HB2 SER 552 58.975 -5.261 0.124 13 HB3 SER 552 HB3 SER 552 58.975 -6.910 0.751 14 HG SER 552 HG SER 552 59.818 -6.578 -1.447 15 H ALA 553 HN ALA 553 56.051 -6.602 -2.153 16 HA ALA 553 HA ALA 553 56.135 -4.026 -3.288 17 HB1 ALA 553 HB1 ALA 553 54.241 -6.330 -3.875 18 HB2 ALA 553 HB2 ALA 553 55.814 -6.066 -4.631 19 HB3 ALA 553 HB3 ALA 553 54.497 -4.930 -4.915 20 H TYR 554 HN TYR 554 53.697 -5.704 -1.409 21 HA TYR 554 HA TYR 554 51.570 -3.875 -1.663 22 HB2 TYR 554 HB2 TYR 554 51.290 -6.171 -0.872 23 HB3 TYR 554 HB3 TYR 554 52.305 -5.840 0.526 24 HD1 TYR 554 HD1 TYR 554 51.443 -4.694 2.465 25 HD2 TYR 554 HD2 TYR 554 49.028 -5.132 -1.071 26 HE1 TYR 554 HE1 TYR 554 49.434 -4.001 3.751 27 HE2 TYR 554 HE2 TYR 554 47.021 -4.433 0.216 28 HH TYR 554 HH TYR 554 46.828 -2.849 2.587 29 H MET 555 HN MET 555 54.201 -4.170 0.740 30 HA MET 555 HA MET 555 53.340 -2.094 2.446 31 HB2 MET 555 HB2 MET 555 56.151 -3.110 1.950 32 HB3 MET 555 HB3 MET 555 55.681 -2.064 3.286 33 HG2 MET 555 HG2 MET 555 54.010 -3.856 3.974 34 HG3 MET 555 HG3 MET 555 54.765 -4.920 2.786 35 HE1 MET 555 HE1 MET 555 57.560 -4.425 2.641 36 HE2 MET 555 HE2 MET 555 57.379 -6.071 3.238 37 HE3 MET 555 HE3 MET 555 58.504 -4.972 4.031 38 H LEU 556 HN LEU 556 55.668 -2.051 -0.274 39 HA LEU 556 HA LEU 556 56.286 0.722 -0.056 40 HB2 LEU 556 HB2 LEU 556 56.462 -0.984 -2.559 41 HB3 LEU 556 HB3 LEU 556 57.328 0.514 -2.238 42 HG LEU 556 HG LEU 556 57.693 -2.100 -0.728 43 HD11 LEU 556 HD11 LEU 556 58.686 -2.332 -2.879 44 HD12 LEU 556 HD12 LEU 556 60.020 -1.878 -1.818 45 HD13 LEU 556 HD13 LEU 556 59.280 -0.672 -2.870 46 HD21 LEU 556 HD21 LEU 556 59.735 -0.870 0.197 47 HD22 LEU 556 HD22 LEU 556 58.180 -0.312 0.813 48 HD23 LEU 556 HD23 LEU 556 59.019 0.614 -0.432 49 H TRP 557 HN TRP 557 53.996 -1.096 -2.017 50 HA TRP 557 HA TRP 557 52.995 0.995 -3.624 51 HB2 TRP 557 HB2 TRP 557 52.667 -1.351 -4.153 52 HB3 TRP 557 HB3 TRP 557 51.809 -1.610 -2.647 53 HD1 TRP 557 HD1 TRP 557 51.268 -0.731 -6.231 54 HE1 TRP 557 HE1 TRP 557 48.756 -0.326 -6.640 55 HE3 TRP 557 HE3 TRP 557 49.614 -0.365 -1.412 56 HZ2 TRP 557 HZ2 TRP 557 46.371 0.087 -5.134 57 HZ3 TRP 557 HZ3 TRP 557 47.232 0.056 -0.935 58 HH2 TRP 557 HH2 TRP 557 45.595 0.275 -2.788 59 H LEU 558 HN LEU 558 51.962 -0.296 -0.484 60 HA LEU 558 HA LEU 558 49.645 1.287 -0.149 61 HB2 LEU 558 HB2 LEU 558 50.532 -0.798 1.182 62 HB3 LEU 558 HB3 LEU 558 51.334 0.401 2.180 63 HG LEU 558 HG LEU 558 48.344 0.185 1.661 64 HD11 LEU 558 HD11 LEU 558 49.372 -1.518 3.190 65 HD12 LEU 558 HD12 LEU 558 48.231 -0.458 4.019 66 HD13 LEU 558 HD13 LEU 558 49.967 -0.200 4.197 67 HD21 LEU 558 HD21 LEU 558 49.993 2.259 3.120 68 HD22 LEU 558 HD22 LEU 558 48.333 1.927 3.622 69 HD23 LEU 558 HD23 LEU 558 48.660 2.507 1.991 70 H ASN 559 HN ASN 559 53.054 1.809 0.773 71 HA ASN 559 HA ASN 559 52.654 4.147 2.289 72 HB2 ASN 559 HB2 ASN 559 55.010 3.120 0.718 73 HB3 ASN 559 HB3 ASN 559 55.078 4.635 1.611 74 HD21 ASN 559 HD21 ASN 559 56.713 2.358 2.223 75 HD22 ASN 559 HD22 ASN 559 56.282 1.801 3.772 76 H ALA 560 HN ALA 560 53.413 3.720 -1.157 77 HA ALA 560 HA ALA 560 53.409 6.521 -1.741 78 HB1 ALA 560 HB1 ALA 560 54.664 5.121 -3.195 79 HB2 ALA 560 HB2 ALA 560 53.279 5.674 -4.138 80 HB3 ALA 560 HB3 ALA 560 53.292 4.045 -3.462 81 H SER 561 HN SER 561 51.051 3.926 -2.031 82 HA SER 561 HA SER 561 49.060 5.489 -3.350 83 HB2 SER 561 HB2 SER 561 48.997 2.792 -2.000 84 HB3 SER 561 HB3 SER 561 47.561 3.530 -2.710 85 HG SER 561 HG SER 561 48.588 2.257 -4.256 86 H ARG 562 HN ARG 562 49.868 4.995 0.017 87 HA ARG 562 HA ARG 562 47.434 5.456 1.278 88 HB2 ARG 562 HB2 ARG 562 49.504 4.775 2.442 89 HB3 ARG 562 HB3 ARG 562 50.177 6.380 2.178 90 HG2 ARG 562 HG2 ARG 562 48.324 7.355 3.523 91 HG3 ARG 562 HG3 ARG 562 47.684 5.732 3.798 92 HD2 ARG 562 HD2 ARG 562 49.918 5.111 4.807 93 HD3 ARG 562 HD3 ARG 562 50.367 6.813 4.709 94 HE ARG 562 HE ARG 562 47.866 6.458 6.067 95 HH11 ARG 562 HH11 ARG 562 51.328 6.217 6.524 96 HH12 ARG 562 HH12 ARG 562 51.243 6.507 8.228 97 HH21 ARG 562 HH21 ARG 562 47.800 6.845 8.285 98 HH22 ARG 562 HH22 ARG 562 49.258 6.863 9.217 99 H GLU 563 HN GLU 563 49.834 7.875 0.188 100 HA GLU 563 HA GLU 563 48.349 10.125 1.108 101 HB2 GLU 563 HB2 GLU 563 50.472 9.926 -1.042 102 HB3 GLU 563 HB3 GLU 563 49.834 11.439 -0.406 103 HG2 GLU 563 HG2 GLU 563 51.249 9.318 1.250 104 HG3 GLU 563 HG3 GLU 563 51.989 10.801 0.664 105 H LYS 564 HN LYS 564 48.567 8.453 -2.003 106 HA LYS 564 HA LYS 564 46.968 10.221 -3.526 107 HB2 LYS 564 HB2 LYS 564 48.466 8.487 -4.489 108 HB3 LYS 564 HB3 LYS 564 47.382 7.236 -3.887 109 HG2 LYS 564 HG2 LYS 564 45.559 8.110 -5.305 110 HG3 LYS 564 HG3 LYS 564 46.621 9.396 -5.888 111 HD2 LYS 564 HD2 LYS 564 48.167 7.703 -6.826 112 HD3 LYS 564 HD3 LYS 564 47.099 6.416 -6.259 113 HE2 LYS 564 HE2 LYS 564 45.278 7.289 -7.677 114 HE3 LYS 564 HE3 LYS 564 46.329 8.587 -8.239 115 HZ1 LYS 564 HZ1 LYS 564 46.285 5.783 -8.981 116 HZ2 LYS 564 HZ2 LYS 564 47.833 6.446 -8.765 117 HZ3 LYS 564 HZ3 LYS 564 46.760 7.138 -9.883 118 H ILE 565 HN ILE 565 46.154 7.257 -1.739 119 HA ILE 565 HA ILE 565 43.412 7.216 -2.415 120 HB ILE 565 HB ILE 565 44.868 5.976 -0.047 121 HG12 ILE 565 HG12 ILE 565 43.798 4.676 -2.577 122 HG13 ILE 565 HG13 ILE 565 45.451 5.268 -2.452 123 HG21 ILE 565 HG21 ILE 565 42.436 6.249 0.402 124 HG22 ILE 565 HG22 ILE 565 42.832 4.548 0.156 125 HG23 ILE 565 HG23 ILE 565 42.064 5.475 -1.133 126 HD11 ILE 565 HD11 ILE 565 45.595 2.947 -1.890 127 HD12 ILE 565 HD12 ILE 565 44.154 3.027 -0.876 128 HD13 ILE 565 HD13 ILE 565 45.649 3.789 -0.339 129 H LYS 566 HN LYS 566 45.169 8.560 0.391 130 HA LYS 566 HA LYS 566 42.897 9.382 1.838 131 HB2 LYS 566 HB2 LYS 566 45.746 10.362 1.823 132 HB3 LYS 566 HB3 LYS 566 44.523 11.077 2.865 133 HG2 LYS 566 HG2 LYS 566 44.104 8.899 3.910 134 HG3 LYS 566 HG3 LYS 566 45.291 8.140 2.846 135 HD2 LYS 566 HD2 LYS 566 47.067 9.582 3.772 136 HD3 LYS 566 HD3 LYS 566 45.893 10.373 4.823 137 HE2 LYS 566 HE2 LYS 566 46.402 7.388 4.907 138 HE3 LYS 566 HE3 LYS 566 47.294 8.529 5.911 139 HZ1 LYS 566 HZ1 LYS 566 45.447 9.048 7.132 140 HZ2 LYS 566 HZ2 LYS 566 45.132 7.415 6.792 141 HZ3 LYS 566 HZ3 LYS 566 44.357 8.633 5.901 142 H SER 567 HN SER 567 44.867 11.087 -0.585 143 HA SER 567 HA SER 567 43.428 13.547 -0.398 144 HB2 SER 567 HB2 SER 567 45.197 12.446 -2.591 145 HB3 SER 567 HB3 SER 567 44.564 14.091 -2.547 146 HG SER 567 HG SER 567 46.158 12.860 -0.538 147 H ASP 568 HN ASP 568 43.184 10.714 -2.504 148 HA ASP 568 HA ASP 568 41.155 11.814 -4.205 149 HB2 ASP 568 HB2 ASP 568 42.133 8.994 -3.754 150 HB3 ASP 568 HB3 ASP 568 40.900 9.412 -4.938 151 H HIS 569 HN HIS 569 41.131 10.017 -1.197 152 HA HIS 569 HA HIS 569 38.182 10.196 -1.164 153 HB2 HIS 569 HB2 HIS 569 39.697 7.862 0.027 154 HB3 HIS 569 HB3 HIS 569 37.952 8.046 -0.131 155 HD2 HIS 569 HD2 HIS 569 40.964 7.890 -2.748 156 HE1 HIS 569 HE1 HIS 569 37.659 5.767 -4.283 157 HE2 HIS 569 HE2 HIS 569 40.065 6.453 -4.737 158 HA PRO 570 HA PRO 570 40.194 12.196 2.546 159 HB2 PRO 570 HB2 PRO 570 38.059 14.207 2.110 160 HB3 PRO 570 HB3 PRO 570 39.804 14.444 2.324 161 HG2 PRO 570 HG2 PRO 570 38.654 14.808 -0.040 162 HG3 PRO 570 HG3 PRO 570 40.260 14.066 0.097 163 HD2 PRO 570 HD2 PRO 570 37.601 12.711 -0.325 164 HD3 PRO 570 HD3 PRO 570 39.153 12.418 -1.147 165 H GLY 571 HN GLY 571 39.490 12.013 4.636 166 HA2 GLY 571 HA2 GLY 571 37.915 11.904 6.386 167 HA3 GLY 571 HA3 GLY 571 36.640 11.691 5.196 168 H ILE 572 HN ILE 572 39.151 9.597 4.392 169 HA ILE 572 HA ILE 572 37.656 7.357 5.495 170 HB ILE 572 HB ILE 572 38.353 7.258 3.127 171 HG12 ILE 572 HG12 ILE 572 39.885 5.201 4.733 172 HG13 ILE 572 HG13 ILE 572 38.123 5.221 4.682 173 HG21 ILE 572 HG21 ILE 572 40.496 8.518 3.389 174 HG22 ILE 572 HG22 ILE 572 40.704 6.989 2.526 175 HG23 ILE 572 HG23 ILE 572 41.177 7.121 4.222 176 HD11 ILE 572 HD11 ILE 572 39.420 3.725 2.973 177 HD12 ILE 572 HD12 ILE 572 39.698 5.237 2.112 178 HD13 ILE 572 HD13 ILE 572 38.050 4.677 2.403 179 H SER 573 HN SER 573 38.291 6.084 7.108 180 HA SER 573 HA SER 573 40.300 7.016 8.900 181 HB2 SER 573 HB2 SER 573 39.535 5.361 10.367 182 HB3 SER 573 HB3 SER 573 38.107 5.729 9.401 183 HG SER 573 HG SER 573 38.174 3.617 9.149 184 H ILE 574 HN ILE 574 42.091 5.735 9.732 185 HA ILE 574 HA ILE 574 43.885 4.919 7.707 186 HB ILE 574 HB ILE 574 43.931 4.505 10.717 187 HG12 ILE 574 HG12 ILE 574 45.512 6.425 8.976 188 HG13 ILE 574 HG13 ILE 574 43.978 6.858 9.730 189 HG21 ILE 574 HG21 ILE 574 45.371 2.816 9.665 190 HG22 ILE 574 HG22 ILE 574 46.385 4.062 10.394 191 HG23 ILE 574 HG23 ILE 574 46.119 4.046 8.650 192 HD11 ILE 574 HD11 ILE 574 46.499 5.985 11.192 193 HD12 ILE 574 HD12 ILE 574 44.956 6.337 11.970 194 HD13 ILE 574 HD13 ILE 574 45.839 7.619 11.143 195 H THR 575 HN THR 575 41.928 3.097 10.029 196 HA THR 575 HA THR 575 42.819 0.515 9.354 197 HB THR 575 HB THR 575 40.056 1.266 10.324 198 HG1 THR 575 HG3 THR 575 41.098 2.051 11.947 199 HG21 THR 575 HG21 THR 575 41.780 -1.210 10.601 200 HG22 THR 575 HG22 THR 575 40.259 -1.070 9.720 201 HG23 THR 575 HG23 THR 575 40.271 -0.950 11.479 202 H ASP 576 HN ASP 576 40.112 2.466 8.148 203 HA ASP 576 HA ASP 576 39.082 0.528 6.353 204 HB2 ASP 576 HB2 ASP 576 38.803 3.497 6.635 205 HB3 ASP 576 HB3 ASP 576 38.215 2.713 5.172 206 H LEU 577 HN LEU 577 41.586 2.991 6.065 207 HA LEU 577 HA LEU 577 41.960 2.940 3.271 208 HB2 LEU 577 HB2 LEU 577 43.769 3.601 5.585 209 HB3 LEU 577 HB3 LEU 577 44.402 3.560 3.948 210 HG LEU 577 HG LEU 577 42.040 5.265 4.811 211 HD11 LEU 577 HD11 LEU 577 43.602 7.126 4.850 212 HD12 LEU 577 HD12 LEU 577 44.898 6.098 4.243 213 HD13 LEU 577 HD13 LEU 577 44.272 5.851 5.871 214 HD21 LEU 577 HD21 LEU 577 42.732 6.464 2.630 215 HD22 LEU 577 HD22 LEU 577 41.928 4.904 2.447 216 HD23 LEU 577 HD23 LEU 577 43.679 5.020 2.278 217 H SER 578 HN SER 578 43.359 0.980 5.892 218 HA SER 578 HA SER 578 45.246 -0.430 4.361 219 HB2 SER 578 HB2 SER 578 43.723 -1.307 6.826 220 HB3 SER 578 HB3 SER 578 45.145 -2.122 6.175 221 HG SER 578 HG SER 578 45.048 0.618 6.926 222 H LYS 579 HN LYS 579 41.852 -1.188 5.126 223 HA LYS 579 HA LYS 579 41.776 -3.656 3.689 224 HB2 LYS 579 HB2 LYS 579 39.568 -1.761 4.528 225 HB3 LYS 579 HB3 LYS 579 39.282 -3.321 3.756 226 HG2 LYS 579 HG2 LYS 579 40.496 -4.454 5.608 227 HG3 LYS 579 HG3 LYS 579 40.735 -2.890 6.393 228 HD2 LYS 579 HD2 LYS 579 37.982 -3.940 5.676 229 HD3 LYS 579 HD3 LYS 579 38.733 -4.249 7.243 230 HE2 LYS 579 HE2 LYS 579 39.007 -1.751 7.517 231 HE3 LYS 579 HE3 LYS 579 38.057 -1.540 6.046 232 HZ1 LYS 579 HZ1 LYS 579 36.414 -1.444 7.595 233 HZ2 LYS 579 HZ2 LYS 579 37.213 -2.462 8.693 234 HZ3 LYS 579 HZ3 LYS 579 36.427 -3.121 7.340 235 H LYS 580 HN LYS 580 41.001 -0.305 2.888 236 HA LYS 580 HA LYS 580 39.915 -0.690 0.310 237 HB2 LYS 580 HB2 LYS 580 39.754 1.409 1.655 238 HB3 LYS 580 HB3 LYS 580 41.469 1.693 1.366 239 HG2 LYS 580 HG2 LYS 580 41.079 1.835 -1.048 240 HG3 LYS 580 HG3 LYS 580 39.368 1.456 -0.818 241 HD2 LYS 580 HD2 LYS 580 39.078 3.486 0.517 242 HD3 LYS 580 HD3 LYS 580 40.794 3.858 0.352 243 HE2 LYS 580 HE2 LYS 580 39.542 5.179 -1.255 244 HE3 LYS 580 HE3 LYS 580 40.486 3.975 -2.126 245 HZ1 LYS 580 HZ1 LYS 580 38.565 3.445 -3.090 246 HZ2 LYS 580 HZ2 LYS 580 37.641 4.298 -1.952 247 HZ3 LYS 580 HZ3 LYS 580 38.135 2.704 -1.626 248 H ALA 581 HN ALA 581 43.205 -0.225 1.466 249 HA ALA 581 HA ALA 581 44.501 0.088 -1.005 250 HB1 ALA 581 HB1 ALA 581 46.416 -1.061 0.497 251 HB2 ALA 581 HB2 ALA 581 45.272 -0.641 1.773 252 HB3 ALA 581 HB3 ALA 581 45.916 0.616 0.718 253 H GLY 582 HN GLY 582 43.786 -2.781 0.954 254 HA2 GLY 582 HA2 GLY 582 45.070 -4.688 -0.673 255 HA3 GLY 582 HA3 GLY 582 43.751 -5.021 0.446 256 H GLU 583 HN GLU 583 41.786 -3.329 -0.747 257 HA GLU 583 HA GLU 583 40.728 -5.081 -2.699 258 HB2 GLU 583 HB2 GLU 583 39.940 -2.269 -1.919 259 HB3 GLU 583 HB3 GLU 583 39.035 -3.250 -3.070 260 HG2 GLU 583 HG2 GLU 583 38.654 -4.969 -1.353 261 HG3 GLU 583 HG3 GLU 583 39.616 -4.052 -0.197 262 H ILE 584 HN ILE 584 42.373 -1.923 -2.985 263 HA ILE 584 HA ILE 584 41.949 -1.633 -5.772 264 HB ILE 584 HB ILE 584 44.092 -0.470 -3.958 265 HG12 ILE 584 HG12 ILE 584 41.617 0.775 -5.214 266 HG13 ILE 584 HG13 ILE 584 41.638 0.094 -3.589 267 HG21 ILE 584 HG21 ILE 584 44.910 -0.481 -6.284 268 HG22 ILE 584 HG22 ILE 584 44.447 1.163 -5.840 269 HG23 ILE 584 HG23 ILE 584 43.379 0.185 -6.849 270 HD11 ILE 584 HD11 ILE 584 43.652 2.202 -4.379 271 HD12 ILE 584 HD12 ILE 584 43.081 1.771 -2.768 272 HD13 ILE 584 HD13 ILE 584 42.029 2.664 -3.865 273 H TRP 585 HN TRP 585 44.633 -3.037 -3.911 274 HA TRP 585 HA TRP 585 46.347 -3.675 -6.028 275 HB2 TRP 585 HB2 TRP 585 46.082 -4.386 -3.219 276 HB3 TRP 585 HB3 TRP 585 46.518 -5.817 -4.145 277 HD1 TRP 585 HD1 TRP 585 48.230 -3.584 -2.203 278 HE1 TRP 585 HE1 TRP 585 50.594 -3.008 -3.094 279 HE3 TRP 585 HE3 TRP 585 47.721 -5.134 -6.989 280 HZ2 TRP 585 HZ2 TRP 585 52.066 -3.184 -5.580 281 HZ3 TRP 585 HZ3 TRP 585 49.577 -4.933 -8.615 282 HH2 TRP 585 HH2 TRP 585 51.742 -3.946 -7.899 283 H LYS 586 HN LYS 586 43.729 -5.533 -4.593 284 HA LYS 586 HA LYS 586 44.035 -7.915 -6.039 285 HB2 LYS 586 HB2 LYS 586 41.608 -6.619 -4.801 286 HB3 LYS 586 HB3 LYS 586 41.522 -8.189 -5.594 287 HG2 LYS 586 HG2 LYS 586 43.220 -9.086 -4.043 288 HG3 LYS 586 HG3 LYS 586 43.357 -7.509 -3.264 289 HD2 LYS 586 HD2 LYS 586 40.977 -7.612 -2.604 290 HD3 LYS 586 HD3 LYS 586 40.821 -9.181 -3.396 291 HE2 LYS 586 HE2 LYS 586 42.498 -10.136 -1.861 292 HE3 LYS 586 HE3 LYS 586 42.682 -8.571 -1.073 293 HZ1 LYS 586 HZ1 LYS 586 39.987 -9.044 -1.019 294 HZ2 LYS 586 HZ2 LYS 586 41.064 -9.238 0.277 295 HZ3 LYS 586 HZ3 LYS 586 40.667 -10.565 -0.701 296 H GLY 587 HN GLY 587 42.332 -4.923 -6.918 297 HA2 GLY 587 HA2 GLY 587 41.286 -6.094 -9.378 298 HA3 GLY 587 HA3 GLY 587 41.062 -4.434 -8.836 299 H MET 588 HN MET 588 44.051 -4.239 -8.365 300 HA MET 588 HA MET 588 44.750 -3.194 -10.939 301 HB2 MET 588 HB2 MET 588 45.375 -2.201 -8.695 302 HB3 MET 588 HB3 MET 588 46.573 -3.491 -8.554 303 HG2 MET 588 HG2 MET 588 47.728 -2.751 -10.525 304 HG3 MET 588 HG3 MET 588 46.431 -1.625 -10.941 305 HE1 MET 588 HE1 MET 588 49.365 -2.589 -9.236 306 HE2 MET 588 HE2 MET 588 49.212 -1.965 -7.598 307 HE3 MET 588 HE3 MET 588 50.138 -1.065 -8.797 308 H SER 589 HN SER 589 46.587 -3.747 -12.169 309 HA SER 589 HA SER 589 46.801 -6.467 -12.822 310 HB2 SER 589 HB2 SER 589 47.217 -4.738 -14.453 311 HB3 SER 589 HB3 SER 589 48.571 -4.114 -13.515 312 HG SER 589 HG SER 589 48.923 -5.675 -15.374 313 H LYS 590 HN LYS 590 48.314 -7.999 -12.530 314 HA LYS 590 HA LYS 590 49.750 -8.109 -10.083 315 HB2 LYS 590 HB2 LYS 590 49.981 -9.858 -12.549 316 HB3 LYS 590 HB3 LYS 590 50.633 -10.248 -10.961 317 HG2 LYS 590 HG2 LYS 590 47.680 -9.810 -11.551 318 HG3 LYS 590 HG3 LYS 590 48.453 -11.387 -11.413 319 HD2 LYS 590 HD2 LYS 590 49.114 -10.846 -9.083 320 HD3 LYS 590 HD3 LYS 590 48.284 -9.295 -9.225 321 HE2 LYS 590 HE2 LYS 590 46.150 -10.466 -9.664 322 HE3 LYS 590 HE3 LYS 590 46.973 -12.020 -9.533 323 HZ1 LYS 590 HZ1 LYS 590 47.574 -11.444 -7.247 324 HZ2 LYS 590 HZ2 LYS 590 45.891 -11.475 -7.466 325 HZ3 LYS 590 HZ3 LYS 590 46.712 -9.991 -7.380 326 H GLU 591 HN GLU 591 50.670 -7.369 -13.381 327 HA GLU 591 HA GLU 591 53.453 -7.605 -13.264 328 HB2 GLU 591 HB2 GLU 591 51.764 -5.616 -14.802 329 HB3 GLU 591 HB3 GLU 591 53.486 -5.860 -15.075 330 HG2 GLU 591 HG2 GLU 591 51.357 -8.010 -15.366 331 HG3 GLU 591 HG3 GLU 591 52.080 -7.118 -16.699 332 H LYS 592 HN LYS 592 51.369 -4.952 -12.193 333 HA LYS 592 HA LYS 592 53.418 -3.047 -11.719 334 HB2 LYS 592 HB2 LYS 592 50.617 -3.389 -10.683 335 HB3 LYS 592 HB3 LYS 592 51.670 -2.152 -9.998 336 HG2 LYS 592 HG2 LYS 592 51.999 -1.166 -12.229 337 HG3 LYS 592 HG3 LYS 592 50.976 -2.421 -12.944 338 HD2 LYS 592 HD2 LYS 592 49.081 -1.672 -11.598 339 HD3 LYS 592 HD3 LYS 592 50.078 -0.452 -10.816 340 HE2 LYS 592 HE2 LYS 592 50.426 0.650 -12.996 341 HE3 LYS 592 HE3 LYS 592 49.429 -0.578 -13.777 342 HZ1 LYS 592 HZ1 LYS 592 47.581 0.103 -12.332 343 HZ2 LYS 592 HZ2 LYS 592 48.115 1.370 -13.327 344 HZ3 LYS 592 HZ3 LYS 592 48.545 1.338 -11.684 345 H LYS 593 HN LYS 593 52.129 -5.687 -9.756 346 HA LYS 593 HA LYS 593 53.370 -4.939 -7.309 347 HB2 LYS 593 HB2 LYS 593 51.534 -6.581 -7.530 348 HB3 LYS 593 HB3 LYS 593 52.655 -7.692 -8.316 349 HG2 LYS 593 HG2 LYS 593 54.053 -7.746 -6.296 350 HG3 LYS 593 HG3 LYS 593 52.970 -6.580 -5.515 351 HD2 LYS 593 HD2 LYS 593 51.094 -8.109 -5.794 352 HD3 LYS 593 HD3 LYS 593 52.160 -9.287 -6.560 353 HE2 LYS 593 HE2 LYS 593 52.450 -8.249 -3.724 354 HE3 LYS 593 HE3 LYS 593 51.727 -9.795 -4.162 355 HZ1 LYS 593 HZ1 LYS 593 54.527 -8.978 -4.207 356 HZ2 LYS 593 HZ2 LYS 593 54.011 -10.031 -5.437 357 HZ3 LYS 593 HZ3 LYS 593 53.837 -10.473 -3.807 358 H GLU 594 HN GLU 594 54.354 -6.903 -10.045 359 HA GLU 594 HA GLU 594 56.735 -7.956 -9.050 360 HB2 GLU 594 HB2 GLU 594 55.962 -7.173 -11.864 361 HB3 GLU 594 HB3 GLU 594 57.427 -8.064 -11.466 362 HG2 GLU 594 HG2 GLU 594 56.099 -9.885 -10.493 363 HG3 GLU 594 HG3 GLU 594 54.612 -8.983 -10.785 364 H GLU 595 HN GLU 595 56.129 -4.814 -10.723 365 HA GLU 595 HA GLU 595 58.872 -4.097 -10.813 366 HB2 GLU 595 HB2 GLU 595 58.146 -1.770 -11.167 367 HB3 GLU 595 HB3 GLU 595 57.328 -2.897 -12.234 368 HG2 GLU 595 HG2 GLU 595 55.308 -2.706 -11.074 369 HG3 GLU 595 HG3 GLU 595 56.044 -1.957 -9.663 370 H TRP 596 HN TRP 596 56.375 -3.457 -8.404 371 HA TRP 596 HA TRP 596 57.903 -1.820 -6.689 372 HB2 TRP 596 HB2 TRP 596 55.559 -3.651 -6.169 373 HB3 TRP 596 HB3 TRP 596 56.329 -2.728 -4.883 374 HD1 TRP 596 HD1 TRP 596 53.784 -2.427 -7.567 375 HE1 TRP 596 HE1 TRP 596 52.958 0.007 -7.731 376 HE3 TRP 596 HE3 TRP 596 57.277 -0.124 -4.663 377 HZ2 TRP 596 HZ2 TRP 596 53.675 2.584 -6.744 378 HZ3 TRP 596 HZ3 TRP 596 57.184 2.324 -4.273 379 HH2 TRP 596 HH2 TRP 596 55.381 3.686 -5.313 380 H ASP 597 HN ASP 597 57.557 -5.348 -6.877 381 HA ASP 597 HA ASP 597 59.045 -6.013 -4.557 382 HB2 ASP 597 HB2 ASP 597 57.569 -7.606 -5.715 383 HB3 ASP 597 HB3 ASP 597 58.621 -7.569 -7.126 384 H ARG 598 HN ARG 598 59.951 -5.616 -7.960 385 HA ARG 598 HA ARG 598 62.664 -6.338 -7.761 386 HB2 ARG 598 HB2 ARG 598 61.409 -6.118 -9.892 387 HB3 ARG 598 HB3 ARG 598 61.375 -4.369 -9.672 388 HG2 ARG 598 HG2 ARG 598 63.844 -4.300 -9.721 389 HG3 ARG 598 HG3 ARG 598 63.893 -6.055 -9.920 390 HD2 ARG 598 HD2 ARG 598 64.142 -5.011 -12.113 391 HD3 ARG 598 HD3 ARG 598 62.572 -5.808 -12.034 392 HE ARG 598 HE ARG 598 62.290 -3.107 -11.217 393 HH11 ARG 598 HH11 ARG 598 62.866 -5.002 -14.111 394 HH12 ARG 598 HH12 ARG 598 62.174 -3.813 -15.165 395 HH21 ARG 598 HH21 ARG 598 61.423 -1.589 -12.612 396 HH22 ARG 598 HH22 ARG 598 61.362 -1.890 -14.317 397 H LYS 599 HN LYS 599 61.049 -3.162 -7.427 398 HA LYS 599 HA LYS 599 63.396 -1.608 -7.094 399 HB2 LYS 599 HB2 LYS 599 60.599 -1.165 -6.004 400 HB3 LYS 599 HB3 LYS 599 61.902 0.011 -5.883 401 HG2 LYS 599 HG2 LYS 599 62.058 0.108 -8.352 402 HG3 LYS 599 HG3 LYS 599 60.745 -1.069 -8.477 403 HD2 LYS 599 HD2 LYS 599 59.231 0.476 -7.272 404 HD3 LYS 599 HD3 LYS 599 60.536 1.657 -7.139 405 HE2 LYS 599 HE2 LYS 599 60.660 1.809 -9.601 406 HE3 LYS 599 HE3 LYS 599 59.366 0.621 -9.745 407 HZ1 LYS 599 HZ1 LYS 599 58.153 2.343 -8.183 408 HZ2 LYS 599 HZ2 LYS 599 58.161 2.531 -9.871 409 HZ3 LYS 599 HZ3 LYS 599 59.237 3.425 -8.909 410 H ALA 600 HN ALA 600 61.312 -3.321 -4.798 411 HA ALA 600 HA ALA 600 62.560 -2.453 -2.425 412 HB1 ALA 600 HB1 ALA 600 60.323 -3.806 -2.892 413 HB2 ALA 600 HB2 ALA 600 61.167 -3.939 -1.349 414 HB3 ALA 600 HB3 ALA 600 61.373 -5.188 -2.577 415 H GLU 601 HN GLU 601 63.193 -5.223 -4.551 416 HA GLU 601 HA GLU 601 65.147 -6.468 -2.901 417 HB2 GLU 601 HB2 GLU 601 63.928 -7.585 -4.764 418 HB3 GLU 601 HB3 GLU 601 64.851 -6.614 -5.909 419 HG2 GLU 601 HG2 GLU 601 66.954 -7.595 -5.067 420 HG3 GLU 601 HG3 GLU 601 66.049 -8.546 -3.891 421 H ASP 602 HN ASP 602 65.351 -4.077 -5.539 422 HA ASP 602 HA ASP 602 68.183 -4.002 -5.687 423 HB2 ASP 602 HB2 ASP 602 65.993 -2.152 -6.549 424 HB3 ASP 602 HB3 ASP 602 67.655 -1.569 -6.549 425 H ALA 603 HN ALA 603 65.828 -2.217 -3.747 426 HA ALA 603 HA ALA 603 67.638 -0.370 -2.601 427 HB1 ALA 603 HB1 ALA 603 65.317 -1.361 -1.011 428 HB2 ALA 603 HB2 ALA 603 64.985 -0.552 -2.542 429 HB3 ALA 603 HB3 ALA 603 65.878 0.289 -1.276 430 H ARG 604 HN ARG 604 66.650 -3.642 -1.692 431 HA ARG 604 HA ARG 604 67.868 -3.786 0.845 432 HB2 ARG 604 HB2 ARG 604 66.236 -5.442 -0.027 433 HB3 ARG 604 HB3 ARG 604 67.447 -6.012 -1.172 434 HG2 ARG 604 HG2 ARG 604 68.923 -6.672 0.707 435 HG3 ARG 604 HG3 ARG 604 67.715 -6.092 1.860 436 HD2 ARG 604 HD2 ARG 604 66.066 -7.708 0.852 437 HD3 ARG 604 HD3 ARG 604 67.371 -8.357 -0.136 438 HE ARG 604 HE ARG 604 68.185 -8.434 2.565 439 HH11 ARG 604 HH11 ARG 604 65.790 -9.938 0.498 440 HH12 ARG 604 HH12 ARG 604 65.756 -11.412 1.403 441 HH21 ARG 604 HH21 ARG 604 68.139 -10.389 3.701 442 HH22 ARG 604 HH22 ARG 604 67.076 -11.666 3.205 443 H ARG 605 HN ARG 605 69.111 -4.453 -2.423 444 HA ARG 605 HA ARG 605 71.664 -5.423 -1.667 445 HB2 ARG 605 HB2 ARG 605 70.730 -3.989 -4.169 446 HB3 ARG 605 HB3 ARG 605 72.356 -4.642 -3.977 447 HG2 ARG 605 HG2 ARG 605 71.409 -6.904 -3.623 448 HG3 ARG 605 HG3 ARG 605 69.781 -6.249 -3.836 449 HD2 ARG 605 HD2 ARG 605 70.376 -5.503 -6.115 450 HD3 ARG 605 HD3 ARG 605 71.999 -6.145 -5.905 451 HE ARG 605 HE ARG 605 71.104 -8.364 -5.974 452 HH11 ARG 605 HH11 ARG 605 68.658 -5.907 -6.580 453 HH12 ARG 605 HH12 ARG 605 67.542 -7.037 -7.259 454 HH21 ARG 605 HH21 ARG 605 69.607 -9.781 -6.844 455 HH22 ARG 605 HH22 ARG 605 68.071 -9.211 -7.405 456 H ASP 606 HN ASP 606 70.390 -2.171 -2.246 457 HA ASP 606 HA ASP 606 72.831 -0.762 -2.154 458 HB2 ASP 606 HB2 ASP 606 69.951 -0.036 -1.795 459 HB3 ASP 606 HB3 ASP 606 71.185 1.144 -1.365 460 H TYR 607 HN TYR 607 70.566 -1.720 0.414 461 HA TYR 607 HA TYR 607 71.722 -0.233 2.532 462 HB2 TYR 607 HB2 TYR 607 69.493 -1.368 2.636 463 HB3 TYR 607 HB3 TYR 607 70.323 -2.920 2.685 464 HD1 TYR 607 HD1 TYR 607 71.591 -3.626 4.687 465 HD2 TYR 607 HD2 TYR 607 69.532 0.156 4.563 466 HE1 TYR 607 HE1 TYR 607 71.767 -3.444 7.158 467 HE2 TYR 607 HE2 TYR 607 69.721 0.336 7.035 468 HH TYR 607 HH TYR 607 71.785 -1.578 8.861 469 H GLU 608 HN GLU 608 72.246 -3.555 1.412 470 HA GLU 608 HA GLU 608 74.206 -4.310 3.281 471 HB2 GLU 608 HB2 GLU 608 73.763 -5.173 0.414 472 HB3 GLU 608 HB3 GLU 608 74.920 -5.944 1.495 473 HG2 GLU 608 HG2 GLU 608 73.109 -6.550 3.046 474 HG3 GLU 608 HG3 GLU 608 71.934 -5.719 2.026 475 H LYS 609 HN LYS 609 74.427 -2.591 0.200 476 HA LYS 609 HA LYS 609 77.226 -2.602 -0.120 477 HB2 LYS 609 HB2 LYS 609 75.553 -1.954 -1.872 478 HB3 LYS 609 HB3 LYS 609 75.282 -0.448 -0.996 479 HG2 LYS 609 HG2 LYS 609 77.632 0.186 -1.287 480 HG3 LYS 609 HG3 LYS 609 77.970 -1.352 -2.085 481 HD2 LYS 609 HD2 LYS 609 76.360 -0.768 -3.884 482 HD3 LYS 609 HD3 LYS 609 76.060 0.786 -3.099 483 HE2 LYS 609 HE2 LYS 609 78.446 1.378 -3.348 484 HE3 LYS 609 HE3 LYS 609 78.752 -0.174 -4.126 485 HZ1 LYS 609 HZ1 LYS 609 77.310 0.436 -5.926 486 HZ2 LYS 609 HZ2 LYS 609 78.454 1.672 -5.708 487 HZ3 LYS 609 HZ3 LYS 609 76.863 1.877 -5.151 488 H ALA 610 HN ALA 610 75.046 -0.421 1.634 489 HA ALA 610 HA ALA 610 76.950 1.561 2.311 490 HB1 ALA 610 HB1 ALA 610 75.356 2.232 4.041 491 HB2 ALA 610 HB2 ALA 610 74.485 0.710 3.847 492 HB3 ALA 610 HB3 ALA 610 74.509 1.886 2.532 493 H MET 611 HN MET 611 75.943 -1.440 3.869 494 HA MET 611 HA MET 611 77.359 -1.120 6.285 495 HB2 MET 611 HB2 MET 611 76.747 -3.712 4.849 496 HB3 MET 611 HB3 MET 611 77.094 -3.528 6.566 497 HG2 MET 611 HG2 MET 611 74.657 -2.507 5.070 498 HG3 MET 611 HG3 MET 611 74.682 -3.748 6.310 499 HE1 MET 611 HE1 MET 611 73.697 -3.259 8.445 500 HE2 MET 611 HE2 MET 611 74.325 -2.025 9.537 501 HE3 MET 611 HE3 MET 611 75.414 -3.237 8.863 502 H LYS 612 HN LYS 612 78.259 -2.478 3.140 503 HA LYS 612 HA LYS 612 80.814 -3.455 3.880 504 HB2 LYS 612 HB2 LYS 612 79.726 -2.585 1.194 505 HB3 LYS 612 HB3 LYS 612 81.306 -3.335 1.417 506 HG2 LYS 612 HG2 LYS 612 80.220 -5.323 2.428 507 HG3 LYS 612 HG3 LYS 612 78.639 -4.579 2.173 508 HD2 LYS 612 HD2 LYS 612 79.041 -4.524 -0.263 509 HD3 LYS 612 HD3 LYS 612 80.632 -5.254 -0.021 510 HE2 LYS 612 HE2 LYS 612 79.553 -7.243 0.997 511 HE3 LYS 612 HE3 LYS 612 77.971 -6.520 0.709 512 HZ1 LYS 612 HZ1 LYS 612 79.951 -7.145 -1.415 513 HZ2 LYS 612 HZ2 LYS 612 78.373 -6.562 -1.644 514 HZ3 LYS 612 HZ3 LYS 612 78.623 -8.120 -1.018 515 H GLU 613 HN GLU 613 79.693 -0.284 2.710 516 HA GLU 613 HA GLU 613 82.229 0.875 2.242 517 HB2 GLU 613 HB2 GLU 613 79.624 2.170 3.077 518 HB3 GLU 613 HB3 GLU 613 81.072 3.073 2.642 519 HG2 GLU 613 HG2 GLU 613 81.059 2.092 0.397 520 HG3 GLU 613 HG3 GLU 613 79.670 1.091 0.816 521 H TYR 614 HN TYR 614 80.253 0.598 5.178 522 HA TYR 614 HA TYR 614 81.799 2.263 6.854 523 HB2 TYR 614 HB2 TYR 614 80.125 -0.169 7.533 524 HB3 TYR 614 HB3 TYR 614 80.835 0.904 8.731 525 HD1 TYR 614 HD1 TYR 614 77.817 0.165 7.586 526 HD2 TYR 614 HD2 TYR 614 80.393 3.612 7.617 527 HE1 TYR 614 HE1 TYR 614 75.834 1.641 7.442 528 HE2 TYR 614 HE2 TYR 614 78.408 5.092 7.468 529 HH TYR 614 HH TYR 614 75.664 4.377 6.431 530 H GLU 615 HN GLU 615 81.941 -1.219 6.178 531 HA GLU 615 HA GLU 615 84.047 -1.867 7.948 532 HB2 GLU 615 HB2 GLU 615 83.163 -3.148 5.354 533 HB3 GLU 615 HB3 GLU 615 84.401 -3.834 6.404 534 HG2 GLU 615 HG2 GLU 615 82.788 -3.984 8.252 535 HG3 GLU 615 HG3 GLU 615 81.545 -3.236 7.250 536 H GLY 616 HN GLY 616 84.023 -0.756 4.585 537 HA2 GLY 616 HA2 GLY 616 86.913 -0.946 4.342 538 HA3 GLY 616 HA3 GLY 616 85.793 -0.366 3.112 539 H GLY 617 HN GLY 617 88.168 0.934 3.630 540 HA2 GLY 617 HA2 GLY 617 87.446 3.320 5.203 541 HA3 GLY 617 HA3 GLY 617 89.078 2.866 4.720 Start of MODEL 9 1 H MET 551 HT1 MET 551 55.131 -9.836 -0.774 2 HA MET 551 HA MET 551 53.322 -8.301 0.944 3 HB2 MET 551 HB2 MET 551 55.986 -9.709 1.314 4 HB3 MET 551 HB3 MET 551 55.184 -8.784 2.582 5 HG2 MET 551 HG2 MET 551 53.200 -10.266 2.389 6 HG3 MET 551 HG3 MET 551 54.048 -11.225 1.174 7 HE1 MET 551 HE1 MET 551 57.062 -12.699 3.060 8 HE2 MET 551 HE2 MET 551 56.657 -11.704 1.663 9 HE3 MET 551 HE3 MET 551 55.845 -13.249 1.902 10 H SER 552 HN SER 552 56.725 -8.185 -0.160 11 HA SER 552 HA SER 552 57.220 -5.573 0.786 12 HB2 SER 552 HB2 SER 552 59.214 -5.637 -0.668 13 HB3 SER 552 HB3 SER 552 59.040 -7.109 0.284 14 HG SER 552 HG SER 552 59.503 -7.354 -2.036 15 H ALA 553 HN ALA 553 56.091 -6.776 -2.339 16 HA ALA 553 HA ALA 553 56.218 -4.333 -3.761 17 HB1 ALA 553 HB1 ALA 553 54.610 -5.382 -5.302 18 HB2 ALA 553 HB2 ALA 553 54.278 -6.643 -4.116 19 HB3 ALA 553 HB3 ALA 553 55.876 -6.526 -4.858 20 H TYR 554 HN TYR 554 53.786 -5.811 -1.719 21 HA TYR 554 HA TYR 554 51.675 -3.988 -2.136 22 HB2 TYR 554 HB2 TYR 554 51.387 -6.228 -1.176 23 HB3 TYR 554 HB3 TYR 554 52.354 -5.773 0.219 24 HD1 TYR 554 HD1 TYR 554 51.403 -4.570 2.054 25 HD2 TYR 554 HD2 TYR 554 49.153 -5.140 -1.557 26 HE1 TYR 554 HE1 TYR 554 49.353 -3.784 3.207 27 HE2 TYR 554 HE2 TYR 554 47.102 -4.341 -0.408 28 HH TYR 554 HH TYR 554 46.964 -2.602 2.080 29 H MET 555 HN MET 555 54.282 -4.130 0.295 30 HA MET 555 HA MET 555 53.446 -1.925 1.847 31 HB2 MET 555 HB2 MET 555 55.065 -3.615 2.635 32 HB3 MET 555 HB3 MET 555 56.245 -3.037 1.463 33 HG2 MET 555 HG2 MET 555 56.382 -0.876 2.576 34 HG3 MET 555 HG3 MET 555 55.043 -1.296 3.644 35 HE1 MET 555 HE1 MET 555 59.390 -2.366 3.667 36 HE2 MET 555 HE2 MET 555 58.341 -2.210 2.260 37 HE3 MET 555 HE3 MET 555 58.571 -3.787 3.010 38 H LEU 556 HN LEU 556 55.826 -2.107 -0.818 39 HA LEU 556 HA LEU 556 56.540 0.631 -0.801 40 HB2 LEU 556 HB2 LEU 556 56.582 -1.425 -3.022 41 HB3 LEU 556 HB3 LEU 556 57.231 0.199 -3.202 42 HG LEU 556 HG LEU 556 58.166 -1.743 -1.065 43 HD11 LEU 556 HD11 LEU 556 59.242 -1.154 -3.838 44 HD12 LEU 556 HD12 LEU 556 58.708 -2.713 -3.213 45 HD13 LEU 556 HD13 LEU 556 60.183 -1.972 -2.591 46 HD21 LEU 556 HD21 LEU 556 59.257 0.880 -2.143 47 HD22 LEU 556 HD22 LEU 556 60.153 -0.186 -1.062 48 HD23 LEU 556 HD23 LEU 556 58.662 0.577 -0.511 49 H TRP 557 HN TRP 557 54.087 -1.171 -2.596 50 HA TRP 557 HA TRP 557 53.104 0.932 -4.213 51 HB2 TRP 557 HB2 TRP 557 52.678 -1.373 -4.757 52 HB3 TRP 557 HB3 TRP 557 51.929 -1.659 -3.201 53 HD1 TRP 557 HD1 TRP 557 51.145 -0.681 -6.724 54 HE1 TRP 557 HE1 TRP 557 48.610 -0.270 -6.950 55 HE3 TRP 557 HE3 TRP 557 49.825 -0.491 -1.793 56 HZ2 TRP 557 HZ2 TRP 557 46.336 0.072 -5.274 57 HZ3 TRP 557 HZ3 TRP 557 47.473 -0.107 -1.148 58 HH2 TRP 557 HH2 TRP 557 45.727 0.174 -2.883 59 H LEU 558 HN LEU 558 52.183 -0.263 -1.009 60 HA LEU 558 HA LEU 558 49.885 1.327 -0.625 61 HB2 LEU 558 HB2 LEU 558 50.883 -0.694 0.746 62 HB3 LEU 558 HB3 LEU 558 51.675 0.572 1.664 63 HG LEU 558 HG LEU 558 48.683 0.203 1.276 64 HD11 LEU 558 HD11 LEU 558 48.675 -0.306 3.648 65 HD12 LEU 558 HD12 LEU 558 50.388 0.095 3.780 66 HD13 LEU 558 HD13 LEU 558 49.884 -1.329 2.869 67 HD21 LEU 558 HD21 LEU 558 50.267 2.430 2.577 68 HD22 LEU 558 HD22 LEU 558 48.613 2.070 3.075 69 HD23 LEU 558 HD23 LEU 558 48.945 2.563 1.417 70 H ASN 559 HN ASN 559 53.326 1.904 0.106 71 HA ASN 559 HA ASN 559 52.983 4.297 1.549 72 HB2 ASN 559 HB2 ASN 559 55.269 3.133 -0.019 73 HB3 ASN 559 HB3 ASN 559 55.384 4.756 0.659 74 HD21 ASN 559 HD21 ASN 559 54.544 4.777 3.108 75 HD22 ASN 559 HD22 ASN 559 55.179 3.530 4.076 76 H ALA 560 HN ALA 560 53.546 3.736 -1.908 77 HA ALA 560 HA ALA 560 53.496 6.513 -2.596 78 HB1 ALA 560 HB1 ALA 560 53.554 3.929 -4.081 79 HB2 ALA 560 HB2 ALA 560 54.647 5.309 -4.177 80 HB3 ALA 560 HB3 ALA 560 53.065 5.383 -4.954 81 H SER 561 HN SER 561 51.148 3.897 -2.652 82 HA SER 561 HA SER 561 49.072 5.400 -3.909 83 HB2 SER 561 HB2 SER 561 49.150 2.736 -2.518 84 HB3 SER 561 HB3 SER 561 47.634 3.442 -3.077 85 HG SER 561 HG SER 561 48.269 2.433 -4.852 86 H ARG 562 HN ARG 562 50.091 5.047 -0.597 87 HA ARG 562 HA ARG 562 47.740 5.518 0.810 88 HB2 ARG 562 HB2 ARG 562 49.895 4.924 1.858 89 HB3 ARG 562 HB3 ARG 562 50.519 6.528 1.485 90 HG2 ARG 562 HG2 ARG 562 48.770 7.530 2.916 91 HG3 ARG 562 HG3 ARG 562 48.144 5.918 3.279 92 HD2 ARG 562 HD2 ARG 562 49.592 6.598 5.107 93 HD3 ARG 562 HD3 ARG 562 50.394 5.314 4.207 94 HE ARG 562 HE ARG 562 51.200 7.829 3.174 95 HH11 ARG 562 HH11 ARG 562 51.613 5.836 6.026 96 HH12 ARG 562 HH12 ARG 562 53.178 6.476 6.395 97 HH21 ARG 562 HH21 ARG 562 53.257 8.631 3.683 98 HH22 ARG 562 HH22 ARG 562 54.103 8.044 5.074 99 H GLU 563 HN GLU 563 49.983 7.913 -0.599 100 HA GLU 563 HA GLU 563 48.585 10.191 0.360 101 HB2 GLU 563 HB2 GLU 563 50.459 9.852 -1.990 102 HB3 GLU 563 HB3 GLU 563 49.835 11.409 -1.453 103 HG2 GLU 563 HG2 GLU 563 50.896 11.122 0.735 104 HG3 GLU 563 HG3 GLU 563 51.452 9.511 0.281 105 H LYS 564 HN LYS 564 48.440 8.372 -2.670 106 HA LYS 564 HA LYS 564 46.590 10.050 -4.016 107 HB2 LYS 564 HB2 LYS 564 48.038 8.356 -5.127 108 HB3 LYS 564 HB3 LYS 564 47.084 7.078 -4.381 109 HG2 LYS 564 HG2 LYS 564 45.074 7.860 -5.580 110 HG3 LYS 564 HG3 LYS 564 46.010 9.169 -6.308 111 HD2 LYS 564 HD2 LYS 564 47.492 7.506 -7.394 112 HD3 LYS 564 HD3 LYS 564 46.543 6.199 -6.683 113 HE2 LYS 564 HE2 LYS 564 44.541 6.983 -7.891 114 HE3 LYS 564 HE3 LYS 564 45.474 8.305 -8.591 115 HZ1 LYS 564 HZ1 LYS 564 45.671 5.411 -9.133 116 HZ2 LYS 564 HZ2 LYS 564 46.990 6.433 -9.444 117 HZ3 LYS 564 HZ3 LYS 564 45.508 6.692 -10.230 118 H ILE 565 HN ILE 565 46.160 7.088 -2.099 119 HA ILE 565 HA ILE 565 43.356 6.909 -2.402 120 HB ILE 565 HB ILE 565 45.164 5.787 -0.222 121 HG12 ILE 565 HG12 ILE 565 43.868 4.385 -2.587 122 HG13 ILE 565 HG13 ILE 565 45.495 5.055 -2.660 123 HG21 ILE 565 HG21 ILE 565 43.259 4.272 0.274 124 HG22 ILE 565 HG22 ILE 565 42.284 5.100 -0.940 125 HG23 ILE 565 HG23 ILE 565 42.789 5.956 0.512 126 HD11 ILE 565 HD11 ILE 565 44.556 2.921 -0.707 127 HD12 ILE 565 HD12 ILE 565 46.184 3.594 -0.777 128 HD13 ILE 565 HD13 ILE 565 45.566 2.641 -2.125 129 H LYS 566 HN LYS 566 45.408 8.381 0.115 130 HA LYS 566 HA LYS 566 43.343 9.146 1.867 131 HB2 LYS 566 HB2 LYS 566 45.885 9.160 2.267 132 HB3 LYS 566 HB3 LYS 566 45.878 10.739 1.484 133 HG2 LYS 566 HG2 LYS 566 44.310 11.600 3.161 134 HG3 LYS 566 HG3 LYS 566 44.202 10.006 3.912 135 HD2 LYS 566 HD2 LYS 566 46.620 10.084 4.435 136 HD3 LYS 566 HD3 LYS 566 46.729 11.681 3.693 137 HE2 LYS 566 HE2 LYS 566 45.120 12.562 5.353 138 HE3 LYS 566 HE3 LYS 566 45.021 10.968 6.100 139 HZ1 LYS 566 HZ1 LYS 566 47.294 11.079 6.725 140 HZ2 LYS 566 HZ2 LYS 566 46.586 12.546 7.198 141 HZ3 LYS 566 HZ3 LYS 566 47.557 12.481 5.809 142 H SER 567 HN SER 567 44.810 10.827 -0.892 143 HA SER 567 HA SER 567 43.410 13.267 -0.590 144 HB2 SER 567 HB2 SER 567 44.637 11.952 -3.016 145 HB3 SER 567 HB3 SER 567 43.939 13.570 -3.036 146 HG SER 567 HG SER 567 46.323 12.698 -2.039 147 H ASP 568 HN ASP 568 42.642 10.266 -2.299 148 HA ASP 568 HA ASP 568 40.274 11.245 -3.568 149 HB2 ASP 568 HB2 ASP 568 41.287 8.457 -2.998 150 HB3 ASP 568 HB3 ASP 568 39.803 8.778 -3.888 151 H HIS 569 HN HIS 569 40.956 9.777 -0.452 152 HA HIS 569 HA HIS 569 38.108 10.127 0.266 153 HB2 HIS 569 HB2 HIS 569 39.689 7.931 1.563 154 HB3 HIS 569 HB3 HIS 569 37.947 8.090 1.382 155 HD2 HIS 569 HD2 HIS 569 41.011 6.661 -0.538 156 HE1 HIS 569 HE1 HIS 569 37.587 5.829 -2.851 157 HE2 HIS 569 HE2 HIS 569 40.072 5.386 -2.604 158 HA PRO 570 HA PRO 570 41.006 12.494 3.055 159 HB2 PRO 570 HB2 PRO 570 38.749 14.426 2.982 160 HB3 PRO 570 HB3 PRO 570 40.483 14.706 2.738 161 HG2 PRO 570 HG2 PRO 570 38.792 14.797 0.700 162 HG3 PRO 570 HG3 PRO 570 40.404 14.079 0.518 163 HD2 PRO 570 HD2 PRO 570 37.761 12.687 0.879 164 HD3 PRO 570 HD3 PRO 570 39.094 12.294 -0.232 165 H GLY 571 HN GLY 571 40.925 12.497 5.254 166 HA2 GLY 571 HA2 GLY 571 40.080 12.353 7.402 167 HA3 GLY 571 HA3 GLY 571 38.465 12.533 6.734 168 H ILE 572 HN ILE 572 40.390 10.005 5.365 169 HA ILE 572 HA ILE 572 38.626 8.046 6.599 170 HB ILE 572 HB ILE 572 38.982 7.944 4.152 171 HG12 ILE 572 HG12 ILE 572 40.188 5.522 5.512 172 HG13 ILE 572 HG13 ILE 572 38.480 5.930 5.654 173 HG21 ILE 572 HG21 ILE 572 41.109 7.251 3.225 174 HG22 ILE 572 HG22 ILE 572 41.808 7.099 4.838 175 HG23 ILE 572 HG23 ILE 572 41.383 8.690 4.211 176 HD11 ILE 572 HD11 ILE 572 38.133 5.673 3.295 177 HD12 ILE 572 HD12 ILE 572 39.043 4.261 3.834 178 HD13 ILE 572 HD13 ILE 572 39.868 5.571 2.989 179 H SER 573 HN SER 573 39.253 6.417 7.923 180 HA SER 573 HA SER 573 41.502 6.887 9.594 181 HB2 SER 573 HB2 SER 573 39.916 4.323 9.444 182 HB3 SER 573 HB3 SER 573 40.788 4.980 10.827 183 HG SER 573 HG SER 573 38.327 5.705 9.735 184 H ILE 574 HN ILE 574 43.301 5.523 9.969 185 HA ILE 574 HA ILE 574 44.723 4.722 7.659 186 HB ILE 574 HB ILE 574 45.258 3.965 10.551 187 HG12 ILE 574 HG12 ILE 574 46.419 6.279 8.966 188 HG13 ILE 574 HG13 ILE 574 45.026 6.456 10.028 189 HG21 ILE 574 HG21 ILE 574 46.522 2.611 8.911 190 HG22 ILE 574 HG22 ILE 574 47.594 3.696 9.795 191 HG23 ILE 574 HG23 ILE 574 47.111 4.087 8.145 192 HD11 ILE 574 HD11 ILE 574 47.540 5.212 11.114 193 HD12 ILE 574 HD12 ILE 574 46.283 6.115 11.961 194 HD13 ILE 574 HD13 ILE 574 47.442 6.965 10.941 195 H THR 575 HN THR 575 43.014 2.882 10.145 196 HA THR 575 HA THR 575 43.659 0.296 9.262 197 HB THR 575 HB THR 575 41.060 1.137 10.556 198 HG1 THR 575 HG3 THR 575 42.276 1.770 12.126 199 HG21 THR 575 HG21 THR 575 41.320 -1.129 11.618 200 HG22 THR 575 HG22 THR 575 42.687 -1.415 10.542 201 HG23 THR 575 HG23 THR 575 41.073 -1.179 9.873 202 H ASP 576 HN ASP 576 40.967 2.458 8.429 203 HA ASP 576 HA ASP 576 39.625 0.661 6.694 204 HB2 ASP 576 HB2 ASP 576 39.565 3.623 7.114 205 HB3 ASP 576 HB3 ASP 576 38.775 2.943 5.694 206 H LEU 577 HN LEU 577 42.232 2.973 6.221 207 HA LEU 577 HA LEU 577 42.290 3.032 3.407 208 HB2 LEU 577 HB2 LEU 577 44.417 3.449 5.500 209 HB3 LEU 577 HB3 LEU 577 44.807 3.498 3.790 210 HG LEU 577 HG LEU 577 42.744 5.262 5.146 211 HD11 LEU 577 HD11 LEU 577 44.409 7.027 4.938 212 HD12 LEU 577 HD12 LEU 577 45.510 5.925 4.111 213 HD13 LEU 577 HD13 LEU 577 45.127 5.673 5.813 214 HD21 LEU 577 HD21 LEU 577 42.136 5.083 2.847 215 HD22 LEU 577 HD22 LEU 577 43.818 5.080 2.324 216 HD23 LEU 577 HD23 LEU 577 43.091 6.564 2.937 217 H SER 578 HN SER 578 43.791 0.843 5.755 218 HA SER 578 HA SER 578 45.435 -0.596 4.005 219 HB2 SER 578 HB2 SER 578 45.584 -0.776 6.451 220 HB3 SER 578 HB3 SER 578 44.015 -1.576 6.493 221 HG SER 578 HG SER 578 46.368 -2.482 5.179 222 H LYS 579 HN LYS 579 42.025 -1.053 4.887 223 HA LYS 579 HA LYS 579 41.617 -3.476 3.471 224 HB2 LYS 579 HB2 LYS 579 39.677 -1.269 4.205 225 HB3 LYS 579 HB3 LYS 579 39.196 -2.815 3.512 226 HG2 LYS 579 HG2 LYS 579 40.215 -3.992 5.439 227 HG3 LYS 579 HG3 LYS 579 40.659 -2.433 6.142 228 HD2 LYS 579 HD2 LYS 579 38.277 -1.778 6.214 229 HD3 LYS 579 HD3 LYS 579 37.829 -3.336 5.514 230 HE2 LYS 579 HE2 LYS 579 38.805 -4.500 7.454 231 HE3 LYS 579 HE3 LYS 579 39.267 -2.950 8.157 232 HZ1 LYS 579 HZ1 LYS 579 36.459 -3.530 7.441 233 HZ2 LYS 579 HZ2 LYS 579 37.061 -2.371 8.525 234 HZ3 LYS 579 HZ3 LYS 579 37.100 -4.018 8.932 235 H LYS 580 HN LYS 580 41.173 -0.067 2.587 236 HA LYS 580 HA LYS 580 40.152 -0.452 -0.021 237 HB2 LYS 580 HB2 LYS 580 41.632 1.819 1.303 238 HB3 LYS 580 HB3 LYS 580 41.158 1.896 -0.394 239 HG2 LYS 580 HG2 LYS 580 38.791 1.473 0.283 240 HG3 LYS 580 HG3 LYS 580 39.304 1.516 1.974 241 HD2 LYS 580 HD2 LYS 580 40.005 3.794 1.803 242 HD3 LYS 580 HD3 LYS 580 39.838 3.785 0.049 243 HE2 LYS 580 HE2 LYS 580 37.940 4.948 1.132 244 HE3 LYS 580 HE3 LYS 580 37.408 3.516 0.252 245 HZ1 LYS 580 HZ1 LYS 580 36.980 4.117 2.924 246 HZ2 LYS 580 HZ2 LYS 580 38.072 2.819 2.912 247 HZ3 LYS 580 HZ3 LYS 580 36.576 2.685 2.112 248 H ALA 581 HN ALA 581 43.425 -0.131 1.221 249 HA ALA 581 HA ALA 581 44.806 0.029 -1.208 250 HB1 ALA 581 HB1 ALA 581 46.195 0.501 0.556 251 HB2 ALA 581 HB2 ALA 581 46.607 -1.202 0.356 252 HB3 ALA 581 HB3 ALA 581 45.454 -0.713 1.597 253 H GLY 582 HN GLY 582 43.745 -2.731 0.727 254 HA2 GLY 582 HA2 GLY 582 44.975 -4.746 -0.849 255 HA3 GLY 582 HA3 GLY 582 43.641 -4.982 0.277 256 H GLU 583 HN GLU 583 41.758 -3.232 -0.905 257 HA GLU 583 HA GLU 583 40.623 -4.936 -2.858 258 HB2 GLU 583 HB2 GLU 583 39.935 -2.087 -2.111 259 HB3 GLU 583 HB3 GLU 583 38.968 -3.087 -3.190 260 HG2 GLU 583 HG2 GLU 583 39.601 -3.745 -0.295 261 HG3 GLU 583 HG3 GLU 583 38.077 -3.097 -0.881 262 H ILE 584 HN ILE 584 42.309 -1.796 -3.142 263 HA ILE 584 HA ILE 584 41.909 -1.511 -5.928 264 HB ILE 584 HB ILE 584 44.064 -0.372 -4.114 265 HG12 ILE 584 HG12 ILE 584 41.629 0.935 -5.377 266 HG13 ILE 584 HG13 ILE 584 41.602 0.222 -3.766 267 HG21 ILE 584 HG21 ILE 584 44.474 1.240 -5.979 268 HG22 ILE 584 HG22 ILE 584 43.354 0.328 -6.993 269 HG23 ILE 584 HG23 ILE 584 44.859 -0.416 -6.456 270 HD11 ILE 584 HD11 ILE 584 41.988 2.708 -3.767 271 HD12 ILE 584 HD12 ILE 584 43.515 2.425 -4.604 272 HD13 ILE 584 HD13 ILE 584 43.273 1.794 -2.975 273 H TRP 585 HN TRP 585 44.546 -2.966 -4.046 274 HA TRP 585 HA TRP 585 46.261 -3.629 -6.166 275 HB2 TRP 585 HB2 TRP 585 46.009 -4.289 -3.347 276 HB3 TRP 585 HB3 TRP 585 46.424 -5.741 -4.252 277 HD1 TRP 585 HD1 TRP 585 48.158 -3.447 -2.376 278 HE1 TRP 585 HE1 TRP 585 50.528 -2.930 -3.288 279 HE3 TRP 585 HE3 TRP 585 47.626 -5.184 -7.096 280 HZ2 TRP 585 HZ2 TRP 585 51.987 -3.212 -5.763 281 HZ3 TRP 585 HZ3 TRP 585 49.486 -5.057 -8.719 282 HH2 TRP 585 HH2 TRP 585 51.651 -4.062 -8.042 283 H LYS 586 HN LYS 586 43.643 -5.450 -4.693 284 HA LYS 586 HA LYS 586 43.919 -7.859 -6.095 285 HB2 LYS 586 HB2 LYS 586 42.499 -7.527 -4.097 286 HB3 LYS 586 HB3 LYS 586 41.365 -6.593 -5.068 287 HG2 LYS 586 HG2 LYS 586 40.902 -8.563 -6.466 288 HG3 LYS 586 HG3 LYS 586 42.097 -9.504 -5.567 289 HD2 LYS 586 HD2 LYS 586 40.788 -9.144 -3.486 290 HD3 LYS 586 HD3 LYS 586 39.573 -8.268 -4.414 291 HE2 LYS 586 HE2 LYS 586 40.365 -11.144 -4.958 292 HE3 LYS 586 HE3 LYS 586 38.986 -10.677 -3.969 293 HZ1 LYS 586 HZ1 LYS 586 37.819 -9.958 -5.765 294 HZ2 LYS 586 HZ2 LYS 586 38.745 -11.160 -6.522 295 HZ3 LYS 586 HZ3 LYS 586 39.198 -9.531 -6.656 296 H GLY 587 HN GLY 587 42.254 -4.877 -7.036 297 HA2 GLY 587 HA2 GLY 587 41.167 -6.096 -9.447 298 HA3 GLY 587 HA3 GLY 587 40.988 -4.416 -8.956 299 H MET 588 HN MET 588 43.983 -4.274 -8.524 300 HA MET 588 HA MET 588 44.669 -3.363 -11.157 301 HB2 MET 588 HB2 MET 588 45.313 -2.233 -8.995 302 HB3 MET 588 HB3 MET 588 46.487 -3.527 -8.754 303 HG2 MET 588 HG2 MET 588 47.669 -2.940 -10.757 304 HG3 MET 588 HG3 MET 588 46.394 -1.823 -11.254 305 HE1 MET 588 HE1 MET 588 50.059 -1.196 -8.959 306 HE2 MET 588 HE2 MET 588 49.300 -2.715 -9.423 307 HE3 MET 588 HE3 MET 588 49.013 -2.053 -7.819 308 H SER 589 HN SER 589 46.497 -3.989 -12.363 309 HA SER 589 HA SER 589 46.685 -6.746 -12.849 310 HB2 SER 589 HB2 SER 589 48.116 -6.179 -14.602 311 HB3 SER 589 HB3 SER 589 47.174 -4.708 -14.380 312 HG SER 589 HG SER 589 49.001 -4.139 -12.869 313 H LYS 590 HN LYS 590 48.205 -8.264 -12.499 314 HA LYS 590 HA LYS 590 49.650 -8.273 -10.057 315 HB2 LYS 590 HB2 LYS 590 48.681 -10.276 -11.169 316 HB3 LYS 590 HB3 LYS 590 49.888 -10.132 -12.441 317 HG2 LYS 590 HG2 LYS 590 51.689 -10.468 -10.776 318 HG3 LYS 590 HG3 LYS 590 50.476 -10.603 -9.496 319 HD2 LYS 590 HD2 LYS 590 49.465 -12.536 -10.679 320 HD3 LYS 590 HD3 LYS 590 50.722 -12.424 -11.910 321 HE2 LYS 590 HE2 LYS 590 51.288 -12.853 -8.961 322 HE3 LYS 590 HE3 LYS 590 51.165 -14.164 -10.130 323 HZ1 LYS 590 HZ1 LYS 590 52.910 -12.325 -11.231 324 HZ2 LYS 590 HZ2 LYS 590 53.296 -13.836 -10.565 325 HZ3 LYS 590 HZ3 LYS 590 53.352 -12.443 -9.599 326 H GLU 591 HN GLU 591 50.572 -7.665 -13.392 327 HA GLU 591 HA GLU 591 53.342 -7.912 -13.285 328 HB2 GLU 591 HB2 GLU 591 51.997 -7.549 -15.343 329 HB3 GLU 591 HB3 GLU 591 51.733 -5.878 -14.854 330 HG2 GLU 591 HG2 GLU 591 54.159 -5.450 -14.950 331 HG3 GLU 591 HG3 GLU 591 54.446 -7.129 -15.400 332 H LYS 592 HN LYS 592 51.300 -5.180 -12.323 333 HA LYS 592 HA LYS 592 53.391 -3.320 -11.889 334 HB2 LYS 592 HB2 LYS 592 50.582 -3.550 -10.837 335 HB3 LYS 592 HB3 LYS 592 51.668 -2.295 -10.243 336 HG2 LYS 592 HG2 LYS 592 51.985 -1.466 -12.543 337 HG3 LYS 592 HG3 LYS 592 50.912 -2.733 -13.153 338 HD2 LYS 592 HD2 LYS 592 49.078 -1.842 -11.786 339 HD3 LYS 592 HD3 LYS 592 50.131 -0.582 -11.158 340 HE2 LYS 592 HE2 LYS 592 50.414 0.317 -13.433 341 HE3 LYS 592 HE3 LYS 592 49.374 -0.957 -14.071 342 HZ1 LYS 592 HZ1 LYS 592 48.640 1.297 -12.300 343 HZ2 LYS 592 HZ2 LYS 592 47.656 -0.079 -12.435 344 HZ3 LYS 592 HZ3 LYS 592 47.976 0.875 -13.802 345 H LYS 593 HN LYS 593 52.021 -5.862 -9.858 346 HA LYS 593 HA LYS 593 53.253 -5.062 -7.424 347 HB2 LYS 593 HB2 LYS 593 51.386 -6.677 -7.616 348 HB3 LYS 593 HB3 LYS 593 52.496 -7.831 -8.348 349 HG2 LYS 593 HG2 LYS 593 53.864 -7.833 -6.307 350 HG3 LYS 593 HG3 LYS 593 52.765 -6.649 -5.576 351 HD2 LYS 593 HD2 LYS 593 50.897 -8.189 -5.842 352 HD3 LYS 593 HD3 LYS 593 51.975 -9.377 -6.581 353 HE2 LYS 593 HE2 LYS 593 53.275 -9.487 -4.491 354 HE3 LYS 593 HE3 LYS 593 52.198 -8.298 -3.757 355 HZ1 LYS 593 HZ1 LYS 593 51.057 -10.737 -4.932 356 HZ2 LYS 593 HZ2 LYS 593 50.470 -9.779 -3.659 357 HZ3 LYS 593 HZ3 LYS 593 51.783 -10.824 -3.404 358 H GLU 594 HN GLU 594 54.217 -7.163 -10.062 359 HA GLU 594 HA GLU 594 56.566 -8.209 -8.997 360 HB2 GLU 594 HB2 GLU 594 55.820 -7.544 -11.848 361 HB3 GLU 594 HB3 GLU 594 57.281 -8.422 -11.408 362 HG2 GLU 594 HG2 GLU 594 55.940 -10.193 -10.367 363 HG3 GLU 594 HG3 GLU 594 54.459 -9.301 -10.712 364 H GLU 595 HN GLU 595 56.063 -5.147 -10.842 365 HA GLU 595 HA GLU 595 58.811 -4.491 -10.924 366 HB2 GLU 595 HB2 GLU 595 58.154 -2.180 -11.409 367 HB3 GLU 595 HB3 GLU 595 57.269 -3.327 -12.397 368 HG2 GLU 595 HG2 GLU 595 55.280 -2.988 -11.201 369 HG3 GLU 595 HG3 GLU 595 56.083 -2.177 -9.864 370 H TRP 596 HN TRP 596 56.310 -3.680 -8.573 371 HA TRP 596 HA TRP 596 57.879 -2.022 -6.912 372 HB2 TRP 596 HB2 TRP 596 55.475 -3.751 -6.300 373 HB3 TRP 596 HB3 TRP 596 56.250 -2.733 -5.092 374 HD1 TRP 596 HD1 TRP 596 53.655 -2.631 -7.702 375 HE1 TRP 596 HE1 TRP 596 52.898 -0.207 -8.123 376 HE3 TRP 596 HE3 TRP 596 57.352 -0.125 -5.249 377 HZ2 TRP 596 HZ2 TRP 596 53.741 2.435 -7.500 378 HZ3 TRP 596 HZ3 TRP 596 57.347 2.350 -5.169 379 HH2 TRP 596 HH2 TRP 596 55.545 3.634 -6.292 380 H ASP 597 HN ASP 597 57.404 -5.534 -6.961 381 HA ASP 597 HA ASP 597 58.788 -6.185 -4.587 382 HB2 ASP 597 HB2 ASP 597 57.359 -7.792 -5.747 383 HB3 ASP 597 HB3 ASP 597 58.422 -7.761 -7.151 384 H ARG 598 HN ARG 598 59.860 -5.819 -7.943 385 HA ARG 598 HA ARG 598 62.547 -6.594 -7.586 386 HB2 ARG 598 HB2 ARG 598 61.232 -4.770 -9.610 387 HB3 ARG 598 HB3 ARG 598 62.938 -5.208 -9.676 388 HG2 ARG 598 HG2 ARG 598 62.376 -7.573 -9.882 389 HG3 ARG 598 HG3 ARG 598 60.659 -7.216 -9.678 390 HD2 ARG 598 HD2 ARG 598 61.133 -7.503 -12.057 391 HD3 ARG 598 HD3 ARG 598 60.743 -5.813 -11.745 392 HE ARG 598 HE ARG 598 63.554 -6.215 -11.564 393 HH11 ARG 598 HH11 ARG 598 60.978 -5.998 -13.935 394 HH12 ARG 598 HH12 ARG 598 62.031 -5.459 -15.200 395 HH21 ARG 598 HH21 ARG 598 64.891 -5.536 -13.227 396 HH22 ARG 598 HH22 ARG 598 64.243 -5.198 -14.799 397 H LYS 599 HN LYS 599 60.924 -3.440 -7.252 398 HA LYS 599 HA LYS 599 63.223 -1.822 -6.925 399 HB2 LYS 599 HB2 LYS 599 60.792 -1.067 -7.246 400 HB3 LYS 599 HB3 LYS 599 60.578 -1.367 -5.526 401 HG2 LYS 599 HG2 LYS 599 62.303 0.286 -4.984 402 HG3 LYS 599 HG3 LYS 599 62.640 0.537 -6.699 403 HD2 LYS 599 HD2 LYS 599 60.308 1.315 -7.039 404 HD3 LYS 599 HD3 LYS 599 59.988 1.090 -5.319 405 HE2 LYS 599 HE2 LYS 599 61.766 2.745 -4.791 406 HE3 LYS 599 HE3 LYS 599 62.024 2.994 -6.517 407 HZ1 LYS 599 HZ1 LYS 599 60.463 4.574 -5.215 408 HZ2 LYS 599 HZ2 LYS 599 59.324 3.326 -5.386 409 HZ3 LYS 599 HZ3 LYS 599 60.011 4.050 -6.762 410 H ALA 600 HN ALA 600 61.244 -3.637 -4.625 411 HA ALA 600 HA ALA 600 62.512 -2.786 -2.262 412 HB1 ALA 600 HB1 ALA 600 61.370 -5.546 -2.567 413 HB2 ALA 600 HB2 ALA 600 60.311 -4.137 -2.619 414 HB3 ALA 600 HB3 ALA 600 61.288 -4.454 -1.184 415 H GLU 601 HN GLU 601 63.210 -5.477 -4.469 416 HA GLU 601 HA GLU 601 65.218 -6.716 -2.909 417 HB2 GLU 601 HB2 GLU 601 64.063 -7.758 -4.855 418 HB3 GLU 601 HB3 GLU 601 64.953 -6.678 -5.925 419 HG2 GLU 601 HG2 GLU 601 66.102 -8.812 -5.859 420 HG3 GLU 601 HG3 GLU 601 67.093 -7.623 -5.021 421 H ASP 602 HN ASP 602 65.366 -4.166 -5.390 422 HA ASP 602 HA ASP 602 68.199 -3.981 -5.470 423 HB2 ASP 602 HB2 ASP 602 66.577 -3.016 -7.167 424 HB3 ASP 602 HB3 ASP 602 66.272 -1.719 -6.015 425 H ALA 603 HN ALA 603 65.724 -2.375 -3.523 426 HA ALA 603 HA ALA 603 67.419 -0.506 -2.255 427 HB1 ALA 603 HB1 ALA 603 64.929 -1.787 -1.109 428 HB2 ALA 603 HB2 ALA 603 64.920 -0.425 -2.230 429 HB3 ALA 603 HB3 ALA 603 65.645 -0.248 -0.632 430 H ARG 604 HN ARG 604 66.490 -3.834 -1.440 431 HA ARG 604 HA ARG 604 67.751 -3.970 1.083 432 HB2 ARG 604 HB2 ARG 604 67.148 -6.122 -0.960 433 HB3 ARG 604 HB3 ARG 604 67.774 -6.459 0.650 434 HG2 ARG 604 HG2 ARG 604 65.202 -4.926 0.171 435 HG3 ARG 604 HG3 ARG 604 65.255 -6.670 0.409 436 HD2 ARG 604 HD2 ARG 604 66.284 -6.355 2.615 437 HD3 ARG 604 HD3 ARG 604 66.289 -4.612 2.386 438 HE ARG 604 HE ARG 604 63.947 -6.295 2.941 439 HH11 ARG 604 HH11 ARG 604 65.184 -3.101 2.190 440 HH12 ARG 604 HH12 ARG 604 63.739 -2.297 2.692 441 HH21 ARG 604 HH21 ARG 604 62.072 -5.213 3.564 442 HH22 ARG 604 HH22 ARG 604 61.983 -3.485 3.467 443 H ARG 605 HN ARG 605 68.915 -4.712 -2.203 444 HA ARG 605 HA ARG 605 71.502 -5.623 -1.435 445 HB2 ARG 605 HB2 ARG 605 70.476 -4.446 -4.032 446 HB3 ARG 605 HB3 ARG 605 72.114 -5.059 -3.829 447 HG2 ARG 605 HG2 ARG 605 71.251 -7.289 -3.295 448 HG3 ARG 605 HG3 ARG 605 69.592 -6.692 -3.395 449 HD2 ARG 605 HD2 ARG 605 70.149 -7.789 -5.500 450 HD3 ARG 605 HD3 ARG 605 70.012 -6.055 -5.780 451 HE ARG 605 HE ARG 605 72.713 -6.750 -5.192 452 HH11 ARG 605 HH11 ARG 605 70.337 -6.921 -7.766 453 HH12 ARG 605 HH12 ARG 605 71.529 -6.965 -9.022 454 HH21 ARG 605 HH21 ARG 605 74.233 -6.831 -6.851 455 HH22 ARG 605 HH22 ARG 605 73.726 -6.915 -8.504 456 H ASP 606 HN ASP 606 70.189 -2.464 -2.334 457 HA ASP 606 HA ASP 606 72.626 -1.038 -2.380 458 HB2 ASP 606 HB2 ASP 606 69.737 -0.290 -2.156 459 HB3 ASP 606 HB3 ASP 606 70.960 0.935 -1.842 460 H TYR 607 HN TYR 607 70.308 -1.687 0.238 461 HA TYR 607 HA TYR 607 71.422 0.027 2.191 462 HB2 TYR 607 HB2 TYR 607 69.202 -1.130 2.369 463 HB3 TYR 607 HB3 TYR 607 70.058 -2.640 2.654 464 HD1 TYR 607 HD1 TYR 607 69.135 0.633 4.059 465 HD2 TYR 607 HD2 TYR 607 71.260 -3.034 4.783 466 HE1 TYR 607 HE1 TYR 607 69.192 1.142 6.487 467 HE2 TYR 607 HE2 TYR 607 71.322 -2.516 7.210 468 HH TYR 607 HH TYR 607 70.377 0.582 8.456 469 H GLU 608 HN GLU 608 72.047 -3.357 1.370 470 HA GLU 608 HA GLU 608 73.910 -3.996 3.362 471 HB2 GLU 608 HB2 GLU 608 72.842 -5.608 1.799 472 HB3 GLU 608 HB3 GLU 608 73.803 -4.944 0.482 473 HG2 GLU 608 HG2 GLU 608 75.874 -5.633 1.634 474 HG3 GLU 608 HG3 GLU 608 74.919 -6.289 2.964 475 H LYS 609 HN LYS 609 74.326 -2.490 0.174 476 HA LYS 609 HA LYS 609 77.146 -2.364 0.166 477 HB2 LYS 609 HB2 LYS 609 75.082 -0.600 -1.173 478 HB3 LYS 609 HB3 LYS 609 76.816 -0.475 -1.466 479 HG2 LYS 609 HG2 LYS 609 76.872 -2.812 -2.244 480 HG3 LYS 609 HG3 LYS 609 75.140 -2.963 -1.931 481 HD2 LYS 609 HD2 LYS 609 74.715 -1.115 -3.543 482 HD3 LYS 609 HD3 LYS 609 76.439 -1.062 -3.908 483 HE2 LYS 609 HE2 LYS 609 74.630 -3.465 -4.311 484 HE3 LYS 609 HE3 LYS 609 75.196 -2.392 -5.587 485 HZ1 LYS 609 HZ1 LYS 609 76.986 -3.660 -5.751 486 HZ2 LYS 609 HZ2 LYS 609 76.501 -4.609 -4.434 487 HZ3 LYS 609 HZ3 LYS 609 77.445 -3.221 -4.179 488 H ALA 610 HN ALA 610 74.676 -0.187 1.476 489 HA ALA 610 HA ALA 610 76.350 1.990 2.132 490 HB1 ALA 610 HB1 ALA 610 74.006 1.205 3.832 491 HB2 ALA 610 HB2 ALA 610 73.751 1.777 2.183 492 HB3 ALA 610 HB3 ALA 610 74.548 2.816 3.365 493 H MET 611 HN MET 611 75.505 -0.965 3.848 494 HA MET 611 HA MET 611 76.661 -0.326 6.332 495 HB2 MET 611 HB2 MET 611 76.397 -3.053 5.042 496 HB3 MET 611 HB3 MET 611 76.629 -2.737 6.760 497 HG2 MET 611 HG2 MET 611 74.203 -2.058 5.076 498 HG3 MET 611 HG3 MET 611 74.280 -3.201 6.405 499 HE1 MET 611 HE1 MET 611 73.888 -1.252 9.545 500 HE2 MET 611 HE2 MET 611 74.935 -2.490 8.856 501 HE3 MET 611 HE3 MET 611 73.192 -2.582 8.608 502 H LYS 612 HN LYS 612 77.974 -1.791 3.393 503 HA LYS 612 HA LYS 612 80.533 -2.443 4.423 504 HB2 LYS 612 HB2 LYS 612 79.566 -3.389 2.336 505 HB3 LYS 612 HB3 LYS 612 79.769 -1.820 1.561 506 HG2 LYS 612 HG2 LYS 612 82.192 -1.935 1.875 507 HG3 LYS 612 HG3 LYS 612 82.030 -3.456 2.756 508 HD2 LYS 612 HD2 LYS 612 81.063 -4.520 0.740 509 HD3 LYS 612 HD3 LYS 612 81.251 -3.003 -0.144 510 HE2 LYS 612 HE2 LYS 612 83.689 -3.086 0.220 511 HE3 LYS 612 HE3 LYS 612 83.508 -4.595 1.111 512 HZ1 LYS 612 HZ1 LYS 612 82.439 -5.495 -0.968 513 HZ2 LYS 612 HZ2 LYS 612 84.106 -5.188 -1.066 514 HZ3 LYS 612 HZ3 LYS 612 82.999 -4.109 -1.766 515 H GLU 613 HN GLU 613 79.204 0.511 2.977 516 HA GLU 613 HA GLU 613 81.678 1.862 2.625 517 HB2 GLU 613 HB2 GLU 613 78.882 2.945 3.025 518 HB3 GLU 613 HB3 GLU 613 80.282 3.957 2.681 519 HG2 GLU 613 HG2 GLU 613 80.642 2.797 0.554 520 HG3 GLU 613 HG3 GLU 613 79.303 1.705 0.898 521 H TYR 614 HN TYR 614 79.401 1.653 5.336 522 HA TYR 614 HA TYR 614 80.554 3.614 6.991 523 HB2 TYR 614 HB2 TYR 614 79.097 1.062 7.723 524 HB3 TYR 614 HB3 TYR 614 79.547 2.300 8.886 525 HD1 TYR 614 HD1 TYR 614 78.939 4.829 7.478 526 HD2 TYR 614 HD2 TYR 614 76.767 1.122 7.538 527 HE1 TYR 614 HE1 TYR 614 76.838 6.050 7.003 528 HE2 TYR 614 HE2 TYR 614 74.668 2.341 7.051 529 HH TYR 614 HH TYR 614 73.784 4.649 7.345 530 H GLU 615 HN GLU 615 81.170 0.130 6.709 531 HA GLU 615 HA GLU 615 83.117 -0.086 8.738 532 HB2 GLU 615 HB2 GLU 615 82.700 -1.695 6.213 533 HB3 GLU 615 HB3 GLU 615 83.866 -2.126 7.461 534 HG2 GLU 615 HG2 GLU 615 82.073 -2.328 9.116 535 HG3 GLU 615 HG3 GLU 615 80.884 -1.797 7.927 536 H GLY 616 HN GLY 616 83.382 0.639 5.280 537 HA2 GLY 616 HA2 GLY 616 85.049 1.663 4.063 538 HA3 GLY 616 HA3 GLY 616 85.757 2.172 5.592 539 H GLY 617 HN GLY 617 85.150 -1.188 4.751 540 HA2 GLY 617 HA2 GLY 617 87.975 -1.790 5.116 541 HA3 GLY 617 HA3 GLY 617 86.668 -2.960 4.955 Start of MODEL 10 1 H MET 551 HT1 MET 551 54.267 -10.776 -0.381 2 HA MET 551 HA MET 551 53.039 -8.752 0.834 3 HB2 MET 551 HB2 MET 551 55.595 -10.177 1.631 4 HB3 MET 551 HB3 MET 551 54.667 -9.164 2.733 5 HG2 MET 551 HG2 MET 551 52.680 -10.607 2.361 6 HG3 MET 551 HG3 MET 551 53.651 -11.654 1.325 7 HE1 MET 551 HE1 MET 551 55.672 -13.782 3.234 8 HE2 MET 551 HE2 MET 551 56.597 -12.282 3.224 9 HE3 MET 551 HE3 MET 551 55.611 -12.712 1.829 10 H SER 552 HN SER 552 56.518 -8.701 0.025 11 HA SER 552 HA SER 552 57.065 -6.132 1.017 12 HB2 SER 552 HB2 SER 552 58.406 -7.637 -1.235 13 HB3 SER 552 HB3 SER 552 59.054 -6.196 -0.457 14 HG SER 552 HG SER 552 59.660 -8.445 0.322 15 H ALA 553 HN ALA 553 56.019 -7.212 -2.196 16 HA ALA 553 HA ALA 553 56.209 -4.730 -3.525 17 HB1 ALA 553 HB1 ALA 553 54.294 -7.048 -3.982 18 HB2 ALA 553 HB2 ALA 553 55.861 -6.818 -4.759 19 HB3 ALA 553 HB3 ALA 553 54.534 -5.709 -5.102 20 H TYR 554 HN TYR 554 53.678 -6.219 -1.614 21 HA TYR 554 HA TYR 554 51.647 -4.287 -2.013 22 HB2 TYR 554 HB2 TYR 554 51.220 -6.570 -1.225 23 HB3 TYR 554 HB3 TYR 554 52.148 -6.257 0.234 24 HD1 TYR 554 HD1 TYR 554 51.148 -5.214 2.126 25 HD2 TYR 554 HD2 TYR 554 49.081 -5.267 -1.635 26 HE1 TYR 554 HE1 TYR 554 49.090 -4.408 3.248 27 HE2 TYR 554 HE2 TYR 554 47.021 -4.449 -0.516 28 HH TYR 554 HH TYR 554 46.266 -4.691 2.330 29 H MET 555 HN MET 555 54.160 -4.718 0.484 30 HA MET 555 HA MET 555 53.370 -2.602 2.174 31 HB2 MET 555 HB2 MET 555 55.974 -4.046 1.737 32 HB3 MET 555 HB3 MET 555 55.902 -2.651 2.809 33 HG2 MET 555 HG2 MET 555 54.237 -3.739 4.212 34 HG3 MET 555 HG3 MET 555 54.103 -5.081 3.078 35 HE1 MET 555 HE1 MET 555 57.652 -3.449 3.788 36 HE2 MET 555 HE2 MET 555 58.074 -4.181 5.337 37 HE3 MET 555 HE3 MET 555 56.722 -3.055 5.242 38 H LEU 556 HN LEU 556 55.761 -2.665 -0.492 39 HA LEU 556 HA LEU 556 56.546 0.052 -0.255 40 HB2 LEU 556 HB2 LEU 556 56.600 -1.757 -2.692 41 HB3 LEU 556 HB3 LEU 556 57.425 -0.209 -2.563 42 HG LEU 556 HG LEU 556 57.970 -2.643 -0.828 43 HD11 LEU 556 HD11 LEU 556 60.185 -2.552 -2.080 44 HD12 LEU 556 HD12 LEU 556 59.423 -1.394 -3.170 45 HD13 LEU 556 HD13 LEU 556 58.791 -3.036 -3.050 46 HD21 LEU 556 HD21 LEU 556 59.209 0.126 -0.909 47 HD22 LEU 556 HD22 LEU 556 60.034 -1.261 -0.196 48 HD23 LEU 556 HD23 LEU 556 58.505 -0.702 0.484 49 H TRP 557 HN TRP 557 54.122 -1.579 -2.229 50 HA TRP 557 HA TRP 557 53.247 0.626 -3.765 51 HB2 TRP 557 HB2 TRP 557 52.799 -1.667 -4.404 52 HB3 TRP 557 HB3 TRP 557 51.933 -1.960 -2.911 53 HD1 TRP 557 HD1 TRP 557 51.426 -0.907 -6.449 54 HE1 TRP 557 HE1 TRP 557 48.938 -0.352 -6.832 55 HE3 TRP 557 HE3 TRP 557 49.803 -0.664 -1.610 56 HZ2 TRP 557 HZ2 TRP 557 46.582 0.111 -5.301 57 HZ3 TRP 557 HZ3 TRP 557 47.447 -0.152 -1.115 58 HH2 TRP 557 HH2 TRP 557 45.829 0.238 -2.951 59 H LEU 558 HN LEU 558 52.149 -0.724 -0.678 60 HA LEU 558 HA LEU 558 49.896 0.930 -0.289 61 HB2 LEU 558 HB2 LEU 558 50.708 -1.224 0.973 62 HB3 LEU 558 HB3 LEU 558 51.552 -0.084 2.006 63 HG LEU 558 HG LEU 558 48.558 -0.170 1.485 64 HD11 LEU 558 HD11 LEU 558 49.405 -1.984 2.925 65 HD12 LEU 558 HD12 LEU 558 48.450 -0.839 3.867 66 HD13 LEU 558 HD13 LEU 558 50.212 -0.799 3.950 67 HD21 LEU 558 HD21 LEU 558 48.991 2.120 1.905 68 HD22 LEU 558 HD22 LEU 558 50.283 1.758 3.051 69 HD23 LEU 558 HD23 LEU 558 48.601 1.486 3.503 70 H ASN 559 HN ASN 559 53.309 1.295 0.680 71 HA ASN 559 HA ASN 559 52.976 3.602 2.255 72 HB2 ASN 559 HB2 ASN 559 55.309 2.497 0.710 73 HB3 ASN 559 HB3 ASN 559 55.434 4.018 1.587 74 HD21 ASN 559 HD21 ASN 559 56.964 1.680 2.231 75 HD22 ASN 559 HD22 ASN 559 56.500 1.159 3.783 76 H ALA 560 HN ALA 560 53.746 3.245 -1.194 77 HA ALA 560 HA ALA 560 53.852 6.060 -1.694 78 HB1 ALA 560 HB1 ALA 560 55.059 4.516 -3.122 79 HB2 ALA 560 HB2 ALA 560 53.852 5.372 -4.081 80 HB3 ALA 560 HB3 ALA 560 53.557 3.709 -3.573 81 H SER 561 HN SER 561 51.406 3.562 -2.072 82 HA SER 561 HA SER 561 49.477 5.231 -3.353 83 HB2 SER 561 HB2 SER 561 49.319 2.502 -2.093 84 HB3 SER 561 HB3 SER 561 47.905 3.309 -2.769 85 HG SER 561 HG SER 561 48.600 2.653 -4.633 86 H ARG 562 HN ARG 562 50.249 4.613 -0.008 87 HA ARG 562 HA ARG 562 47.839 5.112 1.271 88 HB2 ARG 562 HB2 ARG 562 49.877 4.356 2.423 89 HB3 ARG 562 HB3 ARG 562 50.612 5.938 2.178 90 HG2 ARG 562 HG2 ARG 562 48.750 6.944 3.516 91 HG3 ARG 562 HG3 ARG 562 48.140 5.318 3.835 92 HD2 ARG 562 HD2 ARG 562 50.901 6.336 4.579 93 HD3 ARG 562 HD3 ARG 562 49.556 6.149 5.698 94 HE ARG 562 HE ARG 562 51.290 4.064 4.746 95 HH11 ARG 562 HH11 ARG 562 48.025 4.708 5.830 96 HH12 ARG 562 HH12 ARG 562 47.747 3.078 6.342 97 HH21 ARG 562 HH21 ARG 562 50.890 1.948 5.422 98 HH22 ARG 562 HH22 ARG 562 49.359 1.527 6.109 99 H GLU 563 HN GLU 563 50.253 7.479 0.129 100 HA GLU 563 HA GLU 563 48.897 9.761 1.149 101 HB2 GLU 563 HB2 GLU 563 50.900 9.475 -1.096 102 HB3 GLU 563 HB3 GLU 563 50.305 11.024 -0.506 103 HG2 GLU 563 HG2 GLU 563 51.197 10.543 1.733 104 HG3 GLU 563 HG3 GLU 563 51.745 8.959 1.190 105 H LYS 564 HN LYS 564 48.869 8.120 -1.990 106 HA LYS 564 HA LYS 564 47.215 9.963 -3.360 107 HB2 LYS 564 HB2 LYS 564 47.682 7.003 -3.791 108 HB3 LYS 564 HB3 LYS 564 46.747 8.011 -4.889 109 HG2 LYS 564 HG2 LYS 564 48.721 9.444 -5.270 110 HG3 LYS 564 HG3 LYS 564 49.662 8.444 -4.159 111 HD2 LYS 564 HD2 LYS 564 49.312 6.480 -5.615 112 HD3 LYS 564 HD3 LYS 564 48.358 7.466 -6.724 113 HE2 LYS 564 HE2 LYS 564 50.320 8.910 -7.131 114 HE3 LYS 564 HE3 LYS 564 51.276 7.926 -6.026 115 HZ1 LYS 564 HZ1 LYS 564 50.139 7.145 -8.647 116 HZ2 LYS 564 HZ2 LYS 564 50.690 5.998 -7.526 117 HZ3 LYS 564 HZ3 LYS 564 51.764 7.145 -8.168 118 H ILE 565 HN ILE 565 46.461 6.971 -1.598 119 HA ILE 565 HA ILE 565 43.668 7.025 -2.068 120 HB ILE 565 HB ILE 565 45.161 5.677 0.212 121 HG12 ILE 565 HG12 ILE 565 44.214 4.412 -2.375 122 HG13 ILE 565 HG13 ILE 565 45.823 5.103 -2.229 123 HG21 ILE 565 HG21 ILE 565 42.481 4.939 -1.000 124 HG22 ILE 565 HG22 ILE 565 42.626 5.973 0.420 125 HG23 ILE 565 HG23 ILE 565 43.204 4.309 0.481 126 HD11 ILE 565 HD11 ILE 565 45.747 2.627 -1.787 127 HD12 ILE 565 HD12 ILE 565 44.732 2.954 -0.383 128 HD13 ILE 565 HD13 ILE 565 46.388 3.559 -0.433 129 H LYS 566 HN LYS 566 45.661 8.171 0.654 130 HA LYS 566 HA LYS 566 43.516 9.037 2.274 131 HB2 LYS 566 HB2 LYS 566 45.837 8.707 3.090 132 HB3 LYS 566 HB3 LYS 566 46.340 10.131 2.185 133 HG2 LYS 566 HG2 LYS 566 44.821 11.541 3.511 134 HG3 LYS 566 HG3 LYS 566 44.249 10.120 4.391 135 HD2 LYS 566 HD2 LYS 566 46.538 9.722 5.239 136 HD3 LYS 566 HD3 LYS 566 47.107 11.141 4.361 137 HE2 LYS 566 HE2 LYS 566 46.764 11.918 6.573 138 HE3 LYS 566 HE3 LYS 566 45.337 12.461 5.691 139 HZ1 LYS 566 HZ1 LYS 566 44.559 11.514 7.676 140 HZ2 LYS 566 HZ2 LYS 566 45.576 10.163 7.541 141 HZ3 LYS 566 HZ3 LYS 566 44.259 10.343 6.488 142 H SER 567 HN SER 567 45.457 10.732 -0.173 143 HA SER 567 HA SER 567 44.253 13.275 0.200 144 HB2 SER 567 HB2 SER 567 45.670 12.096 -2.196 145 HB3 SER 567 HB3 SER 567 45.199 13.788 -2.047 146 HG SER 567 HG SER 567 47.335 12.525 -1.030 147 H ASP 568 HN ASP 568 43.531 10.551 -1.940 148 HA ASP 568 HA ASP 568 41.433 11.880 -3.371 149 HB2 ASP 568 HB2 ASP 568 42.246 8.990 -3.115 150 HB3 ASP 568 HB3 ASP 568 40.869 9.501 -4.084 151 H HIS 569 HN HIS 569 41.597 10.146 -0.359 152 HA HIS 569 HA HIS 569 38.670 10.446 -0.067 153 HB2 HIS 569 HB2 HIS 569 40.208 8.137 1.143 154 HB3 HIS 569 HB3 HIS 569 38.464 8.359 1.083 155 HD2 HIS 569 HD2 HIS 569 41.238 8.072 -1.777 156 HE1 HIS 569 HE1 HIS 569 37.881 5.755 -2.843 157 HE2 HIS 569 HE2 HIS 569 40.200 6.488 -3.565 158 HA PRO 570 HA PRO 570 41.098 12.647 3.266 159 HB2 PRO 570 HB2 PRO 570 38.835 14.552 2.995 160 HB3 PRO 570 HB3 PRO 570 40.579 14.871 3.035 161 HG2 PRO 570 HG2 PRO 570 39.216 15.087 0.776 162 HG3 PRO 570 HG3 PRO 570 40.848 14.393 0.793 163 HD2 PRO 570 HD2 PRO 570 38.204 12.964 0.656 164 HD3 PRO 570 HD3 PRO 570 39.695 12.654 -0.264 165 H GLY 571 HN GLY 571 40.693 12.569 5.437 166 HA2 GLY 571 HA2 GLY 571 39.504 12.343 7.419 167 HA3 GLY 571 HA3 GLY 571 38.011 12.357 6.492 168 H ILE 572 HN ILE 572 40.214 10.077 5.240 169 HA ILE 572 HA ILE 572 38.605 7.924 6.358 170 HB ILE 572 HB ILE 572 39.084 7.935 3.924 171 HG12 ILE 572 HG12 ILE 572 40.447 5.591 5.267 172 HG13 ILE 572 HG13 ILE 572 38.704 5.839 5.356 173 HG21 ILE 572 HG21 ILE 572 41.934 7.242 4.662 174 HG22 ILE 572 HG22 ILE 572 41.444 8.877 4.221 175 HG23 ILE 572 HG23 ILE 572 41.280 7.560 3.055 176 HD11 ILE 572 HD11 ILE 572 40.218 5.685 2.741 177 HD12 ILE 572 HD12 ILE 572 38.471 5.648 2.976 178 HD13 ILE 572 HD13 ILE 572 39.461 4.290 3.508 179 H SER 573 HN SER 573 39.305 6.390 7.733 180 HA SER 573 HA SER 573 41.568 7.024 9.376 181 HB2 SER 573 HB2 SER 573 40.874 5.149 10.731 182 HB3 SER 573 HB3 SER 573 39.439 6.045 10.243 183 HG SER 573 HG SER 573 39.745 3.546 9.952 184 H ILE 574 HN ILE 574 43.236 5.426 9.950 185 HA ILE 574 HA ILE 574 44.738 4.610 7.702 186 HB ILE 574 HB ILE 574 44.972 3.888 10.644 187 HG12 ILE 574 HG12 ILE 574 46.675 5.740 8.953 188 HG13 ILE 574 HG13 ILE 574 45.267 6.303 9.849 189 HG21 ILE 574 HG21 ILE 574 46.129 2.132 9.511 190 HG22 ILE 574 HG22 ILE 574 47.384 3.293 9.939 191 HG23 ILE 574 HG23 ILE 574 46.763 3.233 8.290 192 HD11 ILE 574 HD11 ILE 574 47.470 6.599 11.061 193 HD12 ILE 574 HD12 ILE 574 47.587 4.842 11.147 194 HD13 ILE 574 HD13 ILE 574 46.263 5.677 11.958 195 H THR 575 HN THR 575 42.722 2.823 9.997 196 HA THR 575 HA THR 575 43.213 0.229 9.035 197 HB THR 575 HB THR 575 40.634 1.227 10.250 198 HG1 THR 575 HG3 THR 575 41.612 1.210 12.145 199 HG21 THR 575 HG21 THR 575 40.510 -1.053 9.432 200 HG22 THR 575 HG22 THR 575 40.615 -1.092 11.192 201 HG23 THR 575 HG23 THR 575 42.038 -1.457 10.216 202 H ASP 576 HN ASP 576 40.739 2.627 8.185 203 HA ASP 576 HA ASP 576 39.333 1.022 6.323 204 HB2 ASP 576 HB2 ASP 576 39.527 3.966 6.846 205 HB3 ASP 576 HB3 ASP 576 38.742 3.405 5.373 206 H LEU 577 HN LEU 577 42.150 3.123 6.046 207 HA LEU 577 HA LEU 577 42.350 3.221 3.231 208 HB2 LEU 577 HB2 LEU 577 44.388 3.474 5.437 209 HB3 LEU 577 HB3 LEU 577 44.861 3.529 3.746 210 HG LEU 577 HG LEU 577 42.832 5.388 5.025 211 HD11 LEU 577 HD11 LEU 577 45.171 5.660 5.857 212 HD12 LEU 577 HD12 LEU 577 44.616 7.058 4.935 213 HD13 LEU 577 HD13 LEU 577 45.701 5.882 4.191 214 HD21 LEU 577 HD21 LEU 577 42.391 5.235 2.661 215 HD22 LEU 577 HD22 LEU 577 44.112 5.262 2.277 216 HD23 LEU 577 HD23 LEU 577 43.324 6.714 2.893 217 H SER 578 HN SER 578 43.597 0.931 5.636 218 HA SER 578 HA SER 578 45.235 -0.604 3.967 219 HB2 SER 578 HB2 SER 578 43.623 -1.457 6.382 220 HB3 SER 578 HB3 SER 578 44.901 -2.415 5.637 221 HG SER 578 HG SER 578 46.021 -1.303 7.083 222 H LYS 579 HN LYS 579 41.755 -0.833 4.636 223 HA LYS 579 HA LYS 579 41.260 -3.206 3.168 224 HB2 LYS 579 HB2 LYS 579 39.442 -0.864 3.779 225 HB3 LYS 579 HB3 LYS 579 38.900 -2.383 3.075 226 HG2 LYS 579 HG2 LYS 579 40.304 -2.176 5.755 227 HG3 LYS 579 HG3 LYS 579 38.554 -2.228 5.562 228 HD2 LYS 579 HD2 LYS 579 38.756 -4.427 4.427 229 HD3 LYS 579 HD3 LYS 579 40.501 -4.386 4.685 230 HE2 LYS 579 HE2 LYS 579 40.143 -4.271 7.123 231 HE3 LYS 579 HE3 LYS 579 38.399 -4.323 6.866 232 HZ1 LYS 579 HZ1 LYS 579 39.086 -6.512 7.348 233 HZ2 LYS 579 HZ2 LYS 579 40.381 -6.438 6.253 234 HZ3 LYS 579 HZ3 LYS 579 38.783 -6.475 5.681 235 H LYS 580 HN LYS 580 41.151 0.226 2.299 236 HA LYS 580 HA LYS 580 40.274 -0.070 -0.375 237 HB2 LYS 580 HB2 LYS 580 41.780 2.082 1.098 238 HB3 LYS 580 HB3 LYS 580 41.519 2.199 -0.642 239 HG2 LYS 580 HG2 LYS 580 39.052 1.898 -0.218 240 HG3 LYS 580 HG3 LYS 580 39.399 2.008 1.513 241 HD2 LYS 580 HD2 LYS 580 40.405 4.223 1.194 242 HD3 LYS 580 HD3 LYS 580 40.094 4.128 -0.540 243 HE2 LYS 580 HE2 LYS 580 37.921 3.981 1.566 244 HE3 LYS 580 HE3 LYS 580 38.393 5.472 0.755 245 HZ1 LYS 580 HZ1 LYS 580 38.001 3.686 -1.278 246 HZ2 LYS 580 HZ2 LYS 580 36.931 4.910 -0.796 247 HZ3 LYS 580 HZ3 LYS 580 36.751 3.333 -0.187 248 H ALA 581 HN ALA 581 43.465 -0.048 1.097 249 HA ALA 581 HA ALA 581 45.032 0.049 -1.218 250 HB1 ALA 581 HB1 ALA 581 46.694 -1.218 0.319 251 HB2 ALA 581 HB2 ALA 581 45.442 -1.056 1.550 252 HB3 ALA 581 HB3 ALA 581 46.154 0.384 0.823 253 H GLY 582 HN GLY 582 43.709 -2.692 0.603 254 HA2 GLY 582 HA2 GLY 582 44.799 -4.726 -1.055 255 HA3 GLY 582 HA3 GLY 582 43.453 -4.915 0.065 256 H GLU 583 HN GLU 583 41.740 -2.932 -1.075 257 HA GLU 583 HA GLU 583 40.431 -4.465 -3.062 258 HB2 GLU 583 HB2 GLU 583 39.257 -2.935 -1.521 259 HB3 GLU 583 HB3 GLU 583 40.025 -1.559 -2.304 260 HG2 GLU 583 HG2 GLU 583 38.902 -2.087 -4.413 261 HG3 GLU 583 HG3 GLU 583 38.196 -3.537 -3.705 262 H ILE 584 HN ILE 584 42.421 -1.512 -3.282 263 HA ILE 584 HA ILE 584 42.066 -1.170 -6.071 264 HB ILE 584 HB ILE 584 44.266 -0.202 -4.213 265 HG12 ILE 584 HG12 ILE 584 41.951 1.269 -5.523 266 HG13 ILE 584 HG13 ILE 584 41.866 0.584 -3.902 267 HG21 ILE 584 HG21 ILE 584 43.677 0.528 -7.113 268 HG22 ILE 584 HG22 ILE 584 45.118 -0.302 -6.529 269 HG23 ILE 584 HG23 ILE 584 44.826 1.378 -6.078 270 HD11 ILE 584 HD11 ILE 584 43.756 2.764 -4.848 271 HD12 ILE 584 HD12 ILE 584 43.834 2.007 -3.257 272 HD13 ILE 584 HD13 ILE 584 42.414 2.946 -3.717 273 H TRP 585 HN TRP 585 44.563 -2.827 -4.162 274 HA TRP 585 HA TRP 585 46.266 -3.602 -6.245 275 HB2 TRP 585 HB2 TRP 585 45.863 -4.307 -3.448 276 HB3 TRP 585 HB3 TRP 585 46.226 -5.752 -4.384 277 HD1 TRP 585 HD1 TRP 585 47.967 -3.423 -2.441 278 HE1 TRP 585 HE1 TRP 585 50.417 -3.097 -3.223 279 HE3 TRP 585 HE3 TRP 585 47.638 -5.455 -7.064 280 HZ2 TRP 585 HZ2 TRP 585 52.012 -3.627 -5.572 281 HZ3 TRP 585 HZ3 TRP 585 49.603 -5.542 -8.562 282 HH2 TRP 585 HH2 TRP 585 51.773 -4.617 -7.806 283 H LYS 586 HN LYS 586 43.445 -5.196 -4.903 284 HA LYS 586 HA LYS 586 43.561 -7.604 -6.342 285 HB2 LYS 586 HB2 LYS 586 42.123 -7.191 -4.371 286 HB3 LYS 586 HB3 LYS 586 41.098 -6.147 -5.348 287 HG2 LYS 586 HG2 LYS 586 40.541 -8.055 -6.815 288 HG3 LYS 586 HG3 LYS 586 41.590 -9.102 -5.856 289 HD2 LYS 586 HD2 LYS 586 40.200 -8.669 -3.854 290 HD3 LYS 586 HD3 LYS 586 39.143 -7.632 -4.813 291 HE2 LYS 586 HE2 LYS 586 38.585 -9.553 -6.268 292 HE3 LYS 586 HE3 LYS 586 39.630 -10.589 -5.299 293 HZ1 LYS 586 HZ1 LYS 586 37.009 -9.463 -4.653 294 HZ2 LYS 586 HZ2 LYS 586 38.116 -9.643 -3.380 295 HZ3 LYS 586 HZ3 LYS 586 37.646 -10.991 -4.296 296 H GLY 587 HN GLY 587 42.218 -4.461 -7.262 297 HA2 GLY 587 HA2 GLY 587 41.110 -5.536 -9.741 298 HA3 GLY 587 HA3 GLY 587 41.017 -3.866 -9.197 299 H MET 588 HN MET 588 44.012 -3.955 -8.661 300 HA MET 588 HA MET 588 44.843 -2.942 -11.205 301 HB2 MET 588 HB2 MET 588 45.548 -2.134 -8.869 302 HB3 MET 588 HB3 MET 588 46.670 -3.495 -8.873 303 HG2 MET 588 HG2 MET 588 47.761 -2.661 -10.878 304 HG3 MET 588 HG3 MET 588 46.551 -1.388 -11.050 305 HE1 MET 588 HE1 MET 588 50.178 -1.807 -8.509 306 HE2 MET 588 HE2 MET 588 49.081 -3.073 -9.051 307 HE3 MET 588 HE3 MET 588 48.832 -2.319 -7.480 308 H SER 589 HN SER 589 46.605 -3.657 -12.445 309 HA SER 589 HA SER 589 46.558 -6.378 -13.131 310 HB2 SER 589 HB2 SER 589 47.112 -4.689 -14.758 311 HB3 SER 589 HB3 SER 589 48.525 -4.191 -13.831 312 HG SER 589 HG SER 589 48.082 -6.497 -15.363 313 H LYS 590 HN LYS 590 47.979 -8.034 -12.919 314 HA LYS 590 HA LYS 590 49.347 -8.385 -10.471 315 HB2 LYS 590 HB2 LYS 590 49.469 -9.930 -13.073 316 HB3 LYS 590 HB3 LYS 590 50.229 -10.466 -11.579 317 HG2 LYS 590 HG2 LYS 590 48.051 -10.562 -10.464 318 HG3 LYS 590 HG3 LYS 590 47.259 -9.926 -11.907 319 HD2 LYS 590 HD2 LYS 590 48.026 -11.893 -13.194 320 HD3 LYS 590 HD3 LYS 590 48.794 -12.539 -11.743 321 HE2 LYS 590 HE2 LYS 590 46.605 -12.648 -10.615 322 HE3 LYS 590 HE3 LYS 590 45.826 -11.966 -12.040 323 HZ1 LYS 590 HZ1 LYS 590 45.873 -14.522 -11.680 324 HZ2 LYS 590 HZ2 LYS 590 47.444 -14.409 -12.308 325 HZ3 LYS 590 HZ3 LYS 590 46.120 -13.889 -13.232 326 H GLU 591 HN GLU 591 50.436 -7.478 -13.690 327 HA GLU 591 HA GLU 591 53.193 -7.825 -13.494 328 HB2 GLU 591 HB2 GLU 591 51.958 -7.207 -15.561 329 HB3 GLU 591 HB3 GLU 591 51.727 -5.586 -14.915 330 HG2 GLU 591 HG2 GLU 591 54.178 -5.257 -14.852 331 HG3 GLU 591 HG3 GLU 591 54.412 -6.881 -15.492 332 H LYS 592 HN LYS 592 51.171 -5.257 -12.181 333 HA LYS 592 HA LYS 592 53.197 -3.392 -11.597 334 HB2 LYS 592 HB2 LYS 592 50.572 -3.920 -10.195 335 HB3 LYS 592 HB3 LYS 592 51.603 -2.531 -9.868 336 HG2 LYS 592 HG2 LYS 592 50.453 -3.171 -12.602 337 HG3 LYS 592 HG3 LYS 592 49.718 -2.049 -11.457 338 HD2 LYS 592 HD2 LYS 592 51.765 -0.675 -11.472 339 HD3 LYS 592 HD3 LYS 592 52.508 -1.784 -12.623 340 HE2 LYS 592 HE2 LYS 592 50.774 -1.286 -14.275 341 HE3 LYS 592 HE3 LYS 592 49.963 -0.219 -13.125 342 HZ1 LYS 592 HZ1 LYS 592 52.005 1.123 -13.052 343 HZ2 LYS 592 HZ2 LYS 592 51.319 1.076 -14.605 344 HZ3 LYS 592 HZ3 LYS 592 52.688 0.137 -14.248 345 H LYS 593 HN LYS 593 52.001 -6.189 -9.784 346 HA LYS 593 HA LYS 593 53.394 -5.655 -7.378 347 HB2 LYS 593 HB2 LYS 593 51.559 -7.284 -7.631 348 HB3 LYS 593 HB3 LYS 593 52.635 -8.316 -8.567 349 HG2 LYS 593 HG2 LYS 593 54.128 -8.564 -6.650 350 HG3 LYS 593 HG3 LYS 593 53.128 -7.445 -5.711 351 HD2 LYS 593 HD2 LYS 593 51.226 -8.900 -5.889 352 HD3 LYS 593 HD3 LYS 593 52.121 -9.994 -6.947 353 HE2 LYS 593 HE2 LYS 593 52.044 -10.895 -4.673 354 HE3 LYS 593 HE3 LYS 593 53.698 -10.451 -5.088 355 HZ1 LYS 593 HZ1 LYS 593 52.016 -9.438 -3.025 356 HZ2 LYS 593 HZ2 LYS 593 52.613 -8.181 -3.994 357 HZ3 LYS 593 HZ3 LYS 593 53.685 -9.254 -3.235 358 H GLU 594 HN GLU 594 54.229 -7.402 -10.305 359 HA GLU 594 HA GLU 594 56.675 -8.490 -9.522 360 HB2 GLU 594 HB2 GLU 594 55.721 -7.541 -12.226 361 HB3 GLU 594 HB3 GLU 594 57.219 -8.428 -11.979 362 HG2 GLU 594 HG2 GLU 594 55.984 -10.332 -11.065 363 HG3 GLU 594 HG3 GLU 594 54.469 -9.440 -11.189 364 H GLU 595 HN GLU 595 55.944 -5.247 -10.922 365 HA GLU 595 HA GLU 595 58.676 -4.498 -11.105 366 HB2 GLU 595 HB2 GLU 595 57.948 -2.201 -11.391 367 HB3 GLU 595 HB3 GLU 595 56.976 -3.278 -12.375 368 HG2 GLU 595 HG2 GLU 595 55.102 -3.026 -10.993 369 HG3 GLU 595 HG3 GLU 595 56.021 -2.330 -9.669 370 H TRP 596 HN TRP 596 56.269 -4.002 -8.584 371 HA TRP 596 HA TRP 596 57.861 -2.450 -6.847 372 HB2 TRP 596 HB2 TRP 596 55.559 -4.319 -6.262 373 HB3 TRP 596 HB3 TRP 596 56.343 -3.335 -5.034 374 HD1 TRP 596 HD1 TRP 596 53.629 -3.212 -7.524 375 HE1 TRP 596 HE1 TRP 596 52.733 -0.813 -7.775 376 HE3 TRP 596 HE3 TRP 596 57.288 -0.675 -5.051 377 HZ2 TRP 596 HZ2 TRP 596 53.467 1.832 -7.002 378 HZ3 TRP 596 HZ3 TRP 596 57.160 1.787 -4.809 379 HH2 TRP 596 HH2 TRP 596 55.254 3.044 -5.781 380 H ASP 597 HN ASP 597 57.511 -5.954 -7.221 381 HA ASP 597 HA ASP 597 58.965 -6.790 -4.961 382 HB2 ASP 597 HB2 ASP 597 57.584 -8.291 -6.360 383 HB3 ASP 597 HB3 ASP 597 58.729 -8.108 -7.679 384 H ARG 598 HN ARG 598 59.990 -6.078 -8.285 385 HA ARG 598 HA ARG 598 62.732 -6.693 -7.950 386 HB2 ARG 598 HB2 ARG 598 61.291 -4.903 -9.911 387 HB3 ARG 598 HB3 ARG 598 63.030 -5.180 -9.972 388 HG2 ARG 598 HG2 ARG 598 62.617 -7.626 -10.179 389 HG3 ARG 598 HG3 ARG 598 60.880 -7.314 -10.178 390 HD2 ARG 598 HD2 ARG 598 62.774 -6.071 -12.187 391 HD3 ARG 598 HD3 ARG 598 61.921 -7.583 -12.485 392 HE ARG 598 HE ARG 598 60.010 -5.702 -11.709 393 HH11 ARG 598 HH11 ARG 598 62.239 -6.176 -14.371 394 HH12 ARG 598 HH12 ARG 598 61.250 -5.317 -15.503 395 HH21 ARG 598 HH21 ARG 598 58.762 -4.582 -13.195 396 HH22 ARG 598 HH22 ARG 598 59.286 -4.418 -14.839 397 H LYS 599 HN LYS 599 60.878 -3.683 -7.506 398 HA LYS 599 HA LYS 599 63.070 -1.946 -7.078 399 HB2 LYS 599 HB2 LYS 599 60.246 -1.827 -5.982 400 HB3 LYS 599 HB3 LYS 599 61.429 -0.545 -5.772 401 HG2 LYS 599 HG2 LYS 599 60.517 -1.562 -8.482 402 HG3 LYS 599 HG3 LYS 599 59.827 -0.160 -7.671 403 HD2 LYS 599 HD2 LYS 599 62.052 0.924 -7.644 404 HD3 LYS 599 HD3 LYS 599 62.737 -0.467 -8.485 405 HE2 LYS 599 HE2 LYS 599 61.241 -0.072 -10.395 406 HE3 LYS 599 HE3 LYS 599 60.513 1.298 -9.556 407 HZ1 LYS 599 HZ1 LYS 599 63.416 1.155 -10.114 408 HZ2 LYS 599 HZ2 LYS 599 62.493 2.514 -9.689 409 HZ3 LYS 599 HZ3 LYS 599 62.320 1.814 -11.226 410 H ALA 600 HN ALA 600 61.183 -3.980 -4.894 411 HA ALA 600 HA ALA 600 62.355 -3.133 -2.477 412 HB1 ALA 600 HB1 ALA 600 61.171 -4.861 -1.479 413 HB2 ALA 600 HB2 ALA 600 61.399 -5.948 -2.850 414 HB3 ALA 600 HB3 ALA 600 60.244 -4.619 -2.960 415 H GLU 601 HN GLU 601 63.237 -5.690 -4.769 416 HA GLU 601 HA GLU 601 65.303 -6.851 -3.205 417 HB2 GLU 601 HB2 GLU 601 64.218 -7.976 -5.126 418 HB3 GLU 601 HB3 GLU 601 64.979 -6.821 -6.216 419 HG2 GLU 601 HG2 GLU 601 66.316 -8.840 -6.206 420 HG3 GLU 601 HG3 GLU 601 67.220 -7.584 -5.367 421 H ASP 602 HN ASP 602 65.302 -4.298 -5.692 422 HA ASP 602 HA ASP 602 68.115 -3.953 -5.772 423 HB2 ASP 602 HB2 ASP 602 65.782 -2.266 -6.589 424 HB3 ASP 602 HB3 ASP 602 67.382 -1.537 -6.524 425 H ALA 603 HN ALA 603 65.580 -2.566 -3.755 426 HA ALA 603 HA ALA 603 67.126 -0.570 -2.502 427 HB1 ALA 603 HB1 ALA 603 64.665 -0.670 -2.356 428 HB2 ALA 603 HB2 ALA 603 65.408 -0.599 -0.757 429 HB3 ALA 603 HB3 ALA 603 64.791 -2.131 -1.376 430 H ARG 604 HN ARG 604 66.566 -3.990 -1.732 431 HA ARG 604 HA ARG 604 67.971 -4.038 0.729 432 HB2 ARG 604 HB2 ARG 604 67.352 -6.213 -1.279 433 HB3 ARG 604 HB3 ARG 604 68.168 -6.523 0.250 434 HG2 ARG 604 HG2 ARG 604 66.230 -5.596 1.479 435 HG3 ARG 604 HG3 ARG 604 65.409 -5.289 -0.054 436 HD2 ARG 604 HD2 ARG 604 65.481 -7.710 -0.573 437 HD3 ARG 604 HD3 ARG 604 66.286 -8.012 0.963 438 HE ARG 604 HE ARG 604 63.778 -6.641 1.302 439 HH11 ARG 604 HH11 ARG 604 65.190 -9.803 0.764 440 HH12 ARG 604 HH12 ARG 604 63.875 -10.651 1.502 441 HH21 ARG 604 HH21 ARG 604 62.089 -7.782 2.288 442 HH22 ARG 604 HH22 ARG 604 62.128 -9.513 2.360 443 H ARG 605 HN ARG 605 68.976 -4.553 -2.640 444 HA ARG 605 HA ARG 605 71.648 -5.362 -2.113 445 HB2 ARG 605 HB2 ARG 605 70.390 -4.022 -4.519 446 HB3 ARG 605 HB3 ARG 605 72.074 -4.536 -4.476 447 HG2 ARG 605 HG2 ARG 605 71.371 -6.864 -4.076 448 HG3 ARG 605 HG3 ARG 605 69.678 -6.360 -4.080 449 HD2 ARG 605 HD2 ARG 605 69.926 -5.545 -6.399 450 HD3 ARG 605 HD3 ARG 605 71.610 -6.055 -6.401 451 HE ARG 605 HE ARG 605 69.261 -7.775 -6.616 452 HH11 ARG 605 HH11 ARG 605 72.714 -7.616 -6.026 453 HH12 ARG 605 HH12 ARG 605 72.980 -9.273 -6.453 454 HH21 ARG 605 HH21 ARG 605 69.652 -9.913 -7.187 455 HH22 ARG 605 HH22 ARG 605 71.252 -10.565 -7.108 456 H ASP 606 HN ASP 606 70.120 -2.211 -2.581 457 HA ASP 606 HA ASP 606 72.465 -0.644 -2.659 458 HB2 ASP 606 HB2 ASP 606 69.576 -0.108 -2.107 459 HB3 ASP 606 HB3 ASP 606 70.755 1.150 -1.755 460 H TYR 607 HN TYR 607 70.462 -1.775 0.043 461 HA TYR 607 HA TYR 607 71.634 -0.219 2.096 462 HB2 TYR 607 HB2 TYR 607 69.518 -1.683 2.209 463 HB3 TYR 607 HB3 TYR 607 70.616 -3.035 2.464 464 HD1 TYR 607 HD1 TYR 607 72.067 -3.116 4.525 465 HD2 TYR 607 HD2 TYR 607 69.102 -0.051 3.940 466 HE1 TYR 607 HE1 TYR 607 72.137 -2.576 6.941 467 HE2 TYR 607 HE2 TYR 607 69.191 0.489 6.361 468 HH TYR 607 HH TYR 607 71.642 -0.557 8.384 469 H GLU 608 HN GLU 608 72.396 -3.425 0.787 470 HA GLU 608 HA GLU 608 74.467 -4.157 2.518 471 HB2 GLU 608 HB2 GLU 608 74.051 -4.748 -0.419 472 HB3 GLU 608 HB3 GLU 608 75.292 -5.519 0.563 473 HG2 GLU 608 HG2 GLU 608 73.579 -6.469 2.036 474 HG3 GLU 608 HG3 GLU 608 72.315 -5.631 1.139 475 H LYS 609 HN LYS 609 74.506 -2.226 -0.464 476 HA LYS 609 HA LYS 609 77.302 -1.896 -0.677 477 HB2 LYS 609 HB2 LYS 609 75.011 -0.159 -1.618 478 HB3 LYS 609 HB3 LYS 609 76.697 0.161 -2.016 479 HG2 LYS 609 HG2 LYS 609 76.876 -2.055 -3.086 480 HG3 LYS 609 HG3 LYS 609 75.188 -2.387 -2.688 481 HD2 LYS 609 HD2 LYS 609 74.468 -0.479 -4.063 482 HD3 LYS 609 HD3 LYS 609 76.150 -0.087 -4.417 483 HE2 LYS 609 HE2 LYS 609 75.412 -1.301 -6.317 484 HE3 LYS 609 HE3 LYS 609 76.337 -2.466 -5.372 485 HZ1 LYS 609 HZ1 LYS 609 74.291 -3.456 -6.092 486 HZ2 LYS 609 HZ2 LYS 609 73.380 -2.187 -5.430 487 HZ3 LYS 609 HZ3 LYS 609 74.228 -3.249 -4.411 488 H ALA 610 HN ALA 610 74.809 0.047 0.954 489 HA ALA 610 HA ALA 610 76.523 2.135 1.824 490 HB1 ALA 610 HB1 ALA 610 74.157 2.514 1.824 491 HB2 ALA 610 HB2 ALA 610 74.697 2.563 3.503 492 HB3 ALA 610 HB3 ALA 610 73.882 1.129 2.880 493 H MET 611 HN MET 611 75.470 -0.893 3.302 494 HA MET 611 HA MET 611 76.672 -0.496 5.829 495 HB2 MET 611 HB2 MET 611 75.955 -3.024 4.327 496 HB3 MET 611 HB3 MET 611 76.488 -2.994 6.005 497 HG2 MET 611 HG2 MET 611 74.043 -1.560 4.935 498 HG3 MET 611 HG3 MET 611 74.008 -3.081 5.813 499 HE1 MET 611 HE1 MET 611 75.951 -2.961 8.046 500 HE2 MET 611 HE2 MET 611 74.260 -3.331 8.370 501 HE3 MET 611 HE3 MET 611 75.108 -2.155 9.376 502 H LYS 612 HN LYS 612 77.822 -1.830 2.757 503 HA LYS 612 HA LYS 612 80.237 -2.963 3.665 504 HB2 LYS 612 HB2 LYS 612 79.193 -3.411 1.450 505 HB3 LYS 612 HB3 LYS 612 79.641 -1.785 0.939 506 HG2 LYS 612 HG2 LYS 612 82.010 -2.305 1.218 507 HG3 LYS 612 HG3 LYS 612 81.612 -3.901 1.857 508 HD2 LYS 612 HD2 LYS 612 80.547 -4.498 -0.292 509 HD3 LYS 612 HD3 LYS 612 80.964 -2.909 -0.938 510 HE2 LYS 612 HE2 LYS 612 83.347 -3.383 -0.644 511 HE3 LYS 612 HE3 LYS 612 82.970 -4.942 0.084 512 HZ1 LYS 612 HZ1 LYS 612 83.576 -4.859 -2.389 513 HZ2 LYS 612 HZ2 LYS 612 82.002 -4.268 -2.621 514 HZ3 LYS 612 HZ3 LYS 612 82.243 -5.798 -1.926 515 H GLU 613 HN GLU 613 79.450 0.332 2.575 516 HA GLU 613 HA GLU 613 82.212 1.210 2.905 517 HB2 GLU 613 HB2 GLU 613 80.785 2.119 1.082 518 HB3 GLU 613 HB3 GLU 613 79.734 2.843 2.296 519 HG2 GLU 613 HG2 GLU 613 81.594 4.220 3.124 520 HG3 GLU 613 HG3 GLU 613 82.694 3.457 1.979 521 H TYR 614 HN TYR 614 79.189 1.272 4.672 522 HA TYR 614 HA TYR 614 79.773 3.285 6.556 523 HB2 TYR 614 HB2 TYR 614 77.515 2.391 6.290 524 HB3 TYR 614 HB3 TYR 614 78.051 0.795 6.799 525 HD1 TYR 614 HD1 TYR 614 77.777 4.344 7.972 526 HD2 TYR 614 HD2 TYR 614 78.020 0.203 9.091 527 HE1 TYR 614 HE1 TYR 614 77.290 4.951 10.330 528 HE2 TYR 614 HE2 TYR 614 77.531 0.806 11.443 529 HH TYR 614 HH TYR 614 77.827 2.931 12.896 530 H GLU 615 HN GLU 615 80.321 -0.221 6.591 531 HA GLU 615 HA GLU 615 81.526 -0.360 9.152 532 HB2 GLU 615 HB2 GLU 615 80.575 -2.299 7.922 533 HB3 GLU 615 HB3 GLU 615 81.904 -2.193 6.771 534 HG2 GLU 615 HG2 GLU 615 83.525 -2.633 8.559 535 HG3 GLU 615 HG3 GLU 615 82.230 -2.662 9.753 536 H GLY 616 HN GLY 616 82.813 0.142 5.900 537 HA2 GLY 616 HA2 GLY 616 85.566 0.126 6.816 538 HA3 GLY 616 HA3 GLY 616 85.010 0.411 5.171 539 H GLY 617 HN GLY 617 86.953 1.987 5.932 540 HA2 GLY 617 HA2 GLY 617 87.425 4.261 5.740 541 HA3 GLY 617 HA3 GLY 617 85.722 4.614 6.018 Start of MODEL 11 1 H MET 551 HT1 MET 551 56.071 -10.101 -1.692 2 HA MET 551 HA MET 551 53.713 -9.219 -0.231 3 HB2 MET 551 HB2 MET 551 56.493 -10.186 0.492 4 HB3 MET 551 HB3 MET 551 55.291 -9.704 1.684 5 HG2 MET 551 HG2 MET 551 53.741 -11.429 0.800 6 HG3 MET 551 HG3 MET 551 54.983 -11.935 -0.348 7 HE1 MET 551 HE1 MET 551 54.403 -14.071 0.431 8 HE2 MET 551 HE2 MET 551 53.972 -14.345 2.117 9 HE3 MET 551 HE3 MET 551 55.520 -14.920 1.511 10 H SER 552 HN SER 552 57.154 -8.265 -0.509 11 HA SER 552 HA SER 552 56.870 -5.854 0.944 12 HB2 SER 552 HB2 SER 552 59.085 -5.279 0.075 13 HB3 SER 552 HB3 SER 552 59.044 -6.957 0.604 14 HG SER 552 HG SER 552 59.080 -7.618 -1.445 15 H ALA 553 HN ALA 553 56.140 -6.668 -2.335 16 HA ALA 553 HA ALA 553 56.316 -4.144 -3.589 17 HB1 ALA 553 HB1 ALA 553 54.411 -5.141 -5.036 18 HB2 ALA 553 HB2 ALA 553 54.603 -6.593 -4.055 19 HB3 ALA 553 HB3 ALA 553 55.954 -5.994 -5.020 20 H TYR 554 HN TYR 554 53.843 -5.685 -1.639 21 HA TYR 554 HA TYR 554 51.738 -3.850 -1.964 22 HB2 TYR 554 HB2 TYR 554 51.451 -6.078 -1.008 23 HB3 TYR 554 HB3 TYR 554 52.490 -5.663 0.344 24 HD1 TYR 554 HD1 TYR 554 51.570 -4.717 2.302 25 HD2 TYR 554 HD2 TYR 554 49.284 -4.685 -1.337 26 HE1 TYR 554 HE1 TYR 554 49.591 -3.907 3.554 27 HE2 TYR 554 HE2 TYR 554 47.304 -3.872 -0.084 28 HH TYR 554 HH TYR 554 46.488 -3.998 2.346 29 H MET 555 HN MET 555 54.431 -3.981 0.392 30 HA MET 555 HA MET 555 53.617 -1.796 1.983 31 HB2 MET 555 HB2 MET 555 56.413 -2.805 1.424 32 HB3 MET 555 HB3 MET 555 55.983 -1.678 2.705 33 HG2 MET 555 HG2 MET 555 54.361 -3.455 3.544 34 HG3 MET 555 HG3 MET 555 55.140 -4.570 2.425 35 HE1 MET 555 HE1 MET 555 58.927 -4.281 3.710 36 HE2 MET 555 HE2 MET 555 58.116 -3.346 2.459 37 HE3 MET 555 HE3 MET 555 57.880 -5.090 2.541 38 H LEU 556 HN LEU 556 55.843 -1.897 -0.831 39 HA LEU 556 HA LEU 556 56.473 0.874 -0.819 40 HB2 LEU 556 HB2 LEU 556 56.481 -1.098 -3.122 41 HB3 LEU 556 HB3 LEU 556 57.191 0.510 -3.174 42 HG LEU 556 HG LEU 556 58.030 -1.723 -1.289 43 HD11 LEU 556 HD11 LEU 556 60.066 -1.779 -2.693 44 HD12 LEU 556 HD12 LEU 556 59.364 -0.555 -3.750 45 HD13 LEU 556 HD13 LEU 556 58.624 -2.151 -3.637 46 HD21 LEU 556 HD21 LEU 556 58.591 0.289 -0.162 47 HD22 LEU 556 HD22 LEU 556 58.972 1.133 -1.665 48 HD23 LEU 556 HD23 LEU 556 60.068 -0.103 -1.042 49 H TRP 557 HN TRP 557 54.041 -1.009 -2.540 50 HA TRP 557 HA TRP 557 52.921 1.033 -4.141 51 HB2 TRP 557 HB2 TRP 557 52.614 -1.354 -4.545 52 HB3 TRP 557 HB3 TRP 557 51.782 -1.531 -3.014 53 HD1 TRP 557 HD1 TRP 557 51.207 -0.811 -6.622 54 HE1 TRP 557 HE1 TRP 557 48.697 -0.378 -7.029 55 HE3 TRP 557 HE3 TRP 557 49.608 -0.206 -1.797 56 HZ2 TRP 557 HZ2 TRP 557 46.326 0.133 -5.505 57 HZ3 TRP 557 HZ3 TRP 557 47.232 0.270 -1.326 58 HH2 TRP 557 HH2 TRP 557 45.586 0.432 -3.167 59 H LEU 558 HN LEU 558 52.050 -0.216 -0.936 60 HA LEU 558 HA LEU 558 49.753 1.370 -0.497 61 HB2 LEU 558 HB2 LEU 558 50.729 -0.696 0.819 62 HB3 LEU 558 HB3 LEU 558 51.547 0.535 1.762 63 HG LEU 558 HG LEU 558 48.544 0.270 1.354 64 HD11 LEU 558 HD11 LEU 558 48.496 -0.399 3.671 65 HD12 LEU 558 HD12 LEU 558 50.208 -0.027 3.867 66 HD13 LEU 558 HD13 LEU 558 49.712 -1.388 2.862 67 HD21 LEU 558 HD21 LEU 558 48.537 2.033 3.260 68 HD22 LEU 558 HD22 LEU 558 48.892 2.608 1.637 69 HD23 LEU 558 HD23 LEU 558 50.207 2.362 2.791 70 H ASN 559 HN ASN 559 53.202 1.900 0.285 71 HA ASN 559 HA ASN 559 52.867 4.258 1.789 72 HB2 ASN 559 HB2 ASN 559 55.142 3.167 0.155 73 HB3 ASN 559 HB3 ASN 559 55.260 4.744 0.925 74 HD21 ASN 559 HD21 ASN 559 57.004 2.676 1.715 75 HD22 ASN 559 HD22 ASN 559 56.607 2.176 3.283 76 H ALA 560 HN ALA 560 53.444 3.804 -1.687 77 HA ALA 560 HA ALA 560 53.429 6.601 -2.295 78 HB1 ALA 560 HB1 ALA 560 54.572 5.337 -3.879 79 HB2 ALA 560 HB2 ALA 560 53.030 5.624 -4.684 80 HB3 ALA 560 HB3 ALA 560 53.344 4.072 -3.906 81 H SER 561 HN SER 561 51.040 4.019 -2.430 82 HA SER 561 HA SER 561 48.978 5.593 -3.633 83 HB2 SER 561 HB2 SER 561 49.050 2.880 -2.356 84 HB3 SER 561 HB3 SER 561 47.527 3.620 -2.831 85 HG SER 561 HG SER 561 49.052 2.281 -4.379 86 H ARG 562 HN ARG 562 49.981 5.077 -0.337 87 HA ARG 562 HA ARG 562 47.607 5.585 1.044 88 HB2 ARG 562 HB2 ARG 562 49.678 4.778 2.114 89 HB3 ARG 562 HB3 ARG 562 50.424 6.347 1.865 90 HG2 ARG 562 HG2 ARG 562 48.630 7.365 3.273 91 HG3 ARG 562 HG3 ARG 562 47.989 5.751 3.575 92 HD2 ARG 562 HD2 ARG 562 50.799 6.673 4.258 93 HD3 ARG 562 HD3 ARG 562 49.479 6.518 5.412 94 HE ARG 562 HE ARG 562 51.027 4.355 4.227 95 HH11 ARG 562 HH11 ARG 562 48.118 5.232 5.970 96 HH12 ARG 562 HH12 ARG 562 47.872 3.633 6.590 97 HH21 ARG 562 HH21 ARG 562 50.670 2.291 5.062 98 HH22 ARG 562 HH22 ARG 562 49.301 1.987 6.082 99 H GLU 563 HN GLU 563 50.029 7.900 -0.183 100 HA GLU 563 HA GLU 563 48.794 10.226 0.892 101 HB2 GLU 563 HB2 GLU 563 51.160 10.125 0.158 102 HB3 GLU 563 HB3 GLU 563 50.623 9.951 -1.508 103 HG2 GLU 563 HG2 GLU 563 51.187 12.273 -1.153 104 HG3 GLU 563 HG3 GLU 563 49.440 12.160 -1.293 105 H LYS 564 HN LYS 564 48.584 8.611 -2.260 106 HA LYS 564 HA LYS 564 46.861 10.512 -3.489 107 HB2 LYS 564 HB2 LYS 564 47.368 7.587 -4.070 108 HB3 LYS 564 HB3 LYS 564 46.326 8.602 -5.059 109 HG2 LYS 564 HG2 LYS 564 48.241 10.149 -5.441 110 HG3 LYS 564 HG3 LYS 564 49.275 9.065 -4.512 111 HD2 LYS 564 HD2 LYS 564 47.714 8.127 -6.933 112 HD3 LYS 564 HD3 LYS 564 49.344 8.785 -7.065 113 HE2 LYS 564 HE2 LYS 564 50.085 7.048 -5.382 114 HE3 LYS 564 HE3 LYS 564 48.480 6.335 -5.507 115 HZ1 LYS 564 HZ1 LYS 564 48.964 5.415 -7.463 116 HZ2 LYS 564 HZ2 LYS 564 50.592 5.728 -7.086 117 HZ3 LYS 564 HZ3 LYS 564 49.718 6.814 -8.061 118 H ILE 565 HN ILE 565 46.236 7.454 -1.790 119 HA ILE 565 HA ILE 565 43.425 7.459 -2.147 120 HB ILE 565 HB ILE 565 45.144 6.058 -0.062 121 HG12 ILE 565 HG12 ILE 565 43.754 4.909 -2.505 122 HG13 ILE 565 HG13 ILE 565 45.405 5.507 -2.566 123 HG21 ILE 565 HG21 ILE 565 43.161 4.628 0.329 124 HG22 ILE 565 HG22 ILE 565 42.233 5.587 -0.824 125 HG23 ILE 565 HG23 ILE 565 42.772 6.311 0.685 126 HD11 ILE 565 HD11 ILE 565 46.132 3.875 -0.923 127 HD12 ILE 565 HD12 ILE 565 45.220 3.012 -2.160 128 HD13 ILE 565 HD13 ILE 565 44.467 3.382 -0.609 129 H LYS 566 HN LYS 566 45.508 8.594 0.513 130 HA LYS 566 HA LYS 566 43.439 9.360 2.275 131 HB2 LYS 566 HB2 LYS 566 45.963 9.130 2.745 132 HB3 LYS 566 HB3 LYS 566 46.108 10.764 2.107 133 HG2 LYS 566 HG2 LYS 566 44.558 11.600 3.804 134 HG3 LYS 566 HG3 LYS 566 44.276 9.962 4.392 135 HD2 LYS 566 HD2 LYS 566 46.663 9.773 5.009 136 HD3 LYS 566 HD3 LYS 566 46.944 11.411 4.428 137 HE2 LYS 566 HE2 LYS 566 45.370 12.289 6.109 138 HE3 LYS 566 HE3 LYS 566 45.051 10.652 6.678 139 HZ1 LYS 566 HZ1 LYS 566 46.668 11.290 8.131 140 HZ2 LYS 566 HZ2 LYS 566 47.445 12.312 7.017 141 HZ3 LYS 566 HZ3 LYS 566 47.647 10.627 6.914 142 H SER 567 HN SER 567 45.175 11.172 -0.250 143 HA SER 567 HA SER 567 43.934 13.676 0.236 144 HB2 SER 567 HB2 SER 567 45.082 12.612 -2.354 145 HB3 SER 567 HB3 SER 567 44.746 14.299 -1.984 146 HG SER 567 HG SER 567 46.198 13.974 -0.145 147 H ASP 568 HN ASP 568 43.109 10.960 -1.889 148 HA ASP 568 HA ASP 568 40.828 12.285 -3.055 149 HB2 ASP 568 HB2 ASP 568 41.808 9.433 -3.122 150 HB3 ASP 568 HB3 ASP 568 40.335 9.953 -3.927 151 H HIS 569 HN HIS 569 41.388 10.408 -0.194 152 HA HIS 569 HA HIS 569 38.481 10.423 0.362 153 HB2 HIS 569 HB2 HIS 569 40.344 8.231 1.315 154 HB3 HIS 569 HB3 HIS 569 38.593 8.287 1.455 155 HD2 HIS 569 HD2 HIS 569 41.003 8.409 -1.731 156 HE1 HIS 569 HE1 HIS 569 37.806 5.769 -2.489 157 HE2 HIS 569 HE2 HIS 569 39.923 6.777 -3.452 158 HA PRO 570 HA PRO 570 40.967 12.698 3.608 159 HB2 PRO 570 HB2 PRO 570 38.631 14.519 3.545 160 HB3 PRO 570 HB3 PRO 570 40.359 14.900 3.426 161 HG2 PRO 570 HG2 PRO 570 38.762 15.095 1.315 162 HG3 PRO 570 HG3 PRO 570 40.425 14.494 1.159 163 HD2 PRO 570 HD2 PRO 570 37.860 12.915 1.249 164 HD3 PRO 570 HD3 PRO 570 39.263 12.716 0.168 165 H GLY 571 HN GLY 571 40.689 12.524 5.792 166 HA2 GLY 571 HA2 GLY 571 39.703 12.085 7.827 167 HA3 GLY 571 HA3 GLY 571 38.135 12.284 7.059 168 H ILE 572 HN ILE 572 40.287 9.965 5.618 169 HA ILE 572 HA ILE 572 38.489 7.835 6.464 170 HB ILE 572 HB ILE 572 39.137 8.000 4.072 171 HG12 ILE 572 HG12 ILE 572 40.233 5.470 5.318 172 HG13 ILE 572 HG13 ILE 572 38.513 5.842 5.307 173 HG21 ILE 572 HG21 ILE 572 41.886 7.134 5.019 174 HG22 ILE 572 HG22 ILE 572 41.496 8.762 4.468 175 HG23 ILE 572 HG23 ILE 572 41.377 7.399 3.351 176 HD11 ILE 572 HD11 ILE 572 39.385 4.393 3.385 177 HD12 ILE 572 HD12 ILE 572 40.167 5.852 2.782 178 HD13 ILE 572 HD13 ILE 572 38.411 5.792 2.936 179 H SER 573 HN SER 573 39.022 6.132 7.724 180 HA SER 573 HA SER 573 41.145 6.502 9.600 181 HB2 SER 573 HB2 SER 573 40.210 4.704 10.767 182 HB3 SER 573 HB3 SER 573 38.824 5.399 9.938 183 HG SER 573 HG SER 573 38.663 3.651 8.779 184 H ILE 574 HN ILE 574 42.793 4.934 10.099 185 HA ILE 574 HA ILE 574 44.413 4.254 7.880 186 HB ILE 574 HB ILE 574 44.601 3.216 10.730 187 HG12 ILE 574 HG12 ILE 574 46.022 5.598 9.491 188 HG13 ILE 574 HG13 ILE 574 44.547 5.751 10.437 189 HG21 ILE 574 HG21 ILE 574 46.697 3.452 8.538 190 HG22 ILE 574 HG22 ILE 574 45.966 1.949 9.097 191 HG23 ILE 574 HG23 ILE 574 46.988 2.887 10.184 192 HD11 ILE 574 HD11 ILE 574 47.227 4.701 11.379 193 HD12 ILE 574 HD12 ILE 574 45.744 4.557 12.324 194 HD13 ILE 574 HD13 ILE 574 46.390 6.152 11.932 195 H THR 575 HN THR 575 42.371 2.311 10.014 196 HA THR 575 HA THR 575 42.954 -0.222 8.949 197 HB THR 575 HB THR 575 40.296 0.658 10.090 198 HG1 THR 575 HG3 THR 575 41.194 0.461 12.054 199 HG21 THR 575 HG21 THR 575 40.610 -1.659 9.041 200 HG22 THR 575 HG22 THR 575 40.041 -1.627 10.710 201 HG23 THR 575 HG23 THR 575 41.733 -1.986 10.362 202 H ASP 576 HN ASP 576 40.468 2.166 8.089 203 HA ASP 576 HA ASP 576 39.183 0.614 6.096 204 HB2 ASP 576 HB2 ASP 576 38.140 2.602 7.096 205 HB3 ASP 576 HB3 ASP 576 39.371 3.624 6.370 206 H LEU 577 HN LEU 577 41.950 2.817 6.028 207 HA LEU 577 HA LEU 577 42.260 3.050 3.235 208 HB2 LEU 577 HB2 LEU 577 44.199 3.232 5.533 209 HB3 LEU 577 HB3 LEU 577 44.752 3.362 3.872 210 HG LEU 577 HG LEU 577 42.637 5.139 5.137 211 HD11 LEU 577 HD11 LEU 577 44.882 5.484 6.094 212 HD12 LEU 577 HD12 LEU 577 44.432 6.848 5.067 213 HD13 LEU 577 HD13 LEU 577 45.553 5.624 4.469 214 HD21 LEU 577 HD21 LEU 577 42.259 5.118 2.773 215 HD22 LEU 577 HD22 LEU 577 43.986 5.073 2.421 216 HD23 LEU 577 HD23 LEU 577 43.252 6.547 3.050 217 H SER 578 HN SER 578 43.496 0.682 5.561 218 HA SER 578 HA SER 578 45.190 -0.748 3.843 219 HB2 SER 578 HB2 SER 578 45.184 -1.046 6.287 220 HB3 SER 578 HB3 SER 578 43.590 -1.786 6.196 221 HG SER 578 HG SER 578 46.042 -2.712 5.115 222 H LYS 579 HN LYS 579 41.719 -1.127 4.529 223 HA LYS 579 HA LYS 579 41.295 -3.458 2.974 224 HB2 LYS 579 HB2 LYS 579 39.423 -1.195 3.710 225 HB3 LYS 579 HB3 LYS 579 38.906 -2.663 2.891 226 HG2 LYS 579 HG2 LYS 579 39.734 -4.011 4.794 227 HG3 LYS 579 HG3 LYS 579 40.232 -2.532 5.617 228 HD2 LYS 579 HD2 LYS 579 37.874 -1.728 5.531 229 HD3 LYS 579 HD3 LYS 579 37.401 -3.258 4.801 230 HE2 LYS 579 HE2 LYS 579 38.679 -2.939 7.536 231 HE3 LYS 579 HE3 LYS 579 36.972 -3.252 7.236 232 HZ1 LYS 579 HZ1 LYS 579 37.873 -5.255 5.907 233 HZ2 LYS 579 HZ2 LYS 579 37.801 -5.348 7.604 234 HZ3 LYS 579 HZ3 LYS 579 39.280 -5.031 6.828 235 H LYS 580 HN LYS 580 41.100 0.009 2.216 236 HA LYS 580 HA LYS 580 40.220 -0.225 -0.463 237 HB2 LYS 580 HB2 LYS 580 41.766 1.923 0.998 238 HB3 LYS 580 HB3 LYS 580 41.328 2.070 -0.703 239 HG2 LYS 580 HG2 LYS 580 38.932 1.701 -0.058 240 HG3 LYS 580 HG3 LYS 580 39.432 1.728 1.633 241 HD2 LYS 580 HD2 LYS 580 40.225 3.981 1.449 242 HD3 LYS 580 HD3 LYS 580 40.034 3.973 -0.296 243 HE2 LYS 580 HE2 LYS 580 38.192 5.194 0.872 244 HE3 LYS 580 HE3 LYS 580 37.612 3.844 -0.094 245 HZ1 LYS 580 HZ1 LYS 580 38.245 3.059 2.583 246 HZ2 LYS 580 HZ2 LYS 580 36.804 2.856 1.706 247 HZ3 LYS 580 HZ3 LYS 580 37.087 4.298 2.552 248 H ALA 581 HN ALA 581 43.431 -0.060 0.977 249 HA ALA 581 HA ALA 581 44.947 0.058 -1.381 250 HB1 ALA 581 HB1 ALA 581 46.734 -1.006 0.142 251 HB2 ALA 581 HB2 ALA 581 45.510 -0.938 1.410 252 HB3 ALA 581 HB3 ALA 581 46.070 0.548 0.643 253 H GLY 582 HN GLY 582 43.824 -2.682 0.565 254 HA2 GLY 582 HA2 GLY 582 45.027 -4.723 -1.003 255 HA3 GLY 582 HA3 GLY 582 43.706 -4.938 0.141 256 H GLU 583 HN GLU 583 41.852 -3.152 -1.072 257 HA GLU 583 HA GLU 583 40.650 -4.866 -2.991 258 HB2 GLU 583 HB2 GLU 583 39.410 -3.346 -1.444 259 HB3 GLU 583 HB3 GLU 583 39.988 -1.975 -2.382 260 HG2 GLU 583 HG2 GLU 583 37.768 -2.501 -3.165 261 HG3 GLU 583 HG3 GLU 583 38.899 -2.998 -4.415 262 H ILE 584 HN ILE 584 42.369 -1.749 -3.325 263 HA ILE 584 HA ILE 584 41.945 -1.501 -6.117 264 HB ILE 584 HB ILE 584 44.116 -0.334 -4.333 265 HG12 ILE 584 HG12 ILE 584 41.650 0.939 -5.574 266 HG13 ILE 584 HG13 ILE 584 41.664 0.261 -3.952 267 HG21 ILE 584 HG21 ILE 584 43.347 0.318 -7.213 268 HG22 ILE 584 HG22 ILE 584 44.875 -0.386 -6.688 269 HG23 ILE 584 HG23 ILE 584 44.465 1.267 -6.232 270 HD11 ILE 584 HD11 ILE 584 43.387 2.547 -4.961 271 HD12 ILE 584 HD12 ILE 584 43.534 1.820 -3.362 272 HD13 ILE 584 HD13 ILE 584 42.052 2.668 -3.813 273 H TRP 585 HN TRP 585 44.599 -2.919 -4.223 274 HA TRP 585 HA TRP 585 46.333 -3.623 -6.317 275 HB2 TRP 585 HB2 TRP 585 45.996 -4.287 -3.501 276 HB3 TRP 585 HB3 TRP 585 46.408 -5.743 -4.396 277 HD1 TRP 585 HD1 TRP 585 48.085 -3.337 -2.527 278 HE1 TRP 585 HE1 TRP 585 50.500 -2.892 -3.363 279 HE3 TRP 585 HE3 TRP 585 47.756 -5.398 -7.147 280 HZ2 TRP 585 HZ2 TRP 585 52.076 -3.355 -5.767 281 HZ3 TRP 585 HZ3 TRP 585 49.688 -5.388 -8.690 282 HH2 TRP 585 HH2 TRP 585 51.826 -4.360 -7.996 283 H LYS 586 HN LYS 586 43.623 -5.373 -4.923 284 HA LYS 586 HA LYS 586 43.877 -7.790 -6.332 285 HB2 LYS 586 HB2 LYS 586 42.410 -7.427 -4.365 286 HB3 LYS 586 HB3 LYS 586 41.329 -6.463 -5.362 287 HG2 LYS 586 HG2 LYS 586 40.859 -8.407 -6.781 288 HG3 LYS 586 HG3 LYS 586 42.015 -9.379 -5.872 289 HD2 LYS 586 HD2 LYS 586 40.661 -9.061 -3.822 290 HD3 LYS 586 HD3 LYS 586 39.501 -8.104 -4.739 291 HE2 LYS 586 HE2 LYS 586 39.032 -10.052 -6.182 292 HE3 LYS 586 HE3 LYS 586 40.199 -11.010 -5.274 293 HZ1 LYS 586 HZ1 LYS 586 37.878 -9.685 -3.990 294 HZ2 LYS 586 HZ2 LYS 586 38.873 -10.906 -3.350 295 HZ3 LYS 586 HZ3 LYS 586 37.795 -11.260 -4.616 296 H GLY 587 HN GLY 587 42.291 -4.763 -7.275 297 HA2 GLY 587 HA2 GLY 587 41.145 -5.855 -9.692 298 HA3 GLY 587 HA3 GLY 587 41.203 -4.155 -9.240 299 H MET 588 HN MET 588 44.107 -4.157 -8.840 300 HA MET 588 HA MET 588 44.904 -3.584 -11.535 301 HB2 MET 588 HB2 MET 588 45.603 -2.234 -9.566 302 HB3 MET 588 HB3 MET 588 46.590 -3.585 -9.021 303 HG2 MET 588 HG2 MET 588 48.001 -3.443 -10.941 304 HG3 MET 588 HG3 MET 588 46.891 -2.356 -11.766 305 HE1 MET 588 HE1 MET 588 49.629 -2.889 -9.241 306 HE2 MET 588 HE2 MET 588 48.402 -2.471 -8.056 307 HE3 MET 588 HE3 MET 588 49.769 -1.392 -8.321 308 H SER 589 HN SER 589 46.677 -4.456 -12.654 309 HA SER 589 HA SER 589 46.700 -7.255 -12.833 310 HB2 SER 589 HB2 SER 589 48.434 -6.961 -14.496 311 HB3 SER 589 HB3 SER 589 47.237 -5.684 -14.681 312 HG SER 589 HG SER 589 49.454 -4.958 -14.706 313 H LYS 590 HN LYS 590 48.210 -8.808 -12.393 314 HA LYS 590 HA LYS 590 49.579 -8.691 -9.915 315 HB2 LYS 590 HB2 LYS 590 49.752 -10.663 -12.205 316 HB3 LYS 590 HB3 LYS 590 50.526 -10.899 -10.644 317 HG2 LYS 590 HG2 LYS 590 48.346 -10.838 -9.523 318 HG3 LYS 590 HG3 LYS 590 47.544 -10.519 -11.061 319 HD2 LYS 590 HD2 LYS 590 48.385 -12.670 -11.941 320 HD3 LYS 590 HD3 LYS 590 49.163 -12.997 -10.395 321 HE2 LYS 590 HE2 LYS 590 46.974 -12.971 -9.265 322 HE3 LYS 590 HE3 LYS 590 46.178 -12.595 -10.790 323 HZ1 LYS 590 HZ1 LYS 590 45.959 -14.890 -10.547 324 HZ2 LYS 590 HZ2 LYS 590 47.557 -15.093 -10.002 325 HZ3 LYS 590 HZ3 LYS 590 47.252 -14.723 -11.633 326 H GLU 591 HN GLU 591 50.627 -8.317 -13.254 327 HA GLU 591 HA GLU 591 53.394 -8.551 -13.019 328 HB2 GLU 591 HB2 GLU 591 51.765 -6.708 -14.783 329 HB3 GLU 591 HB3 GLU 591 53.498 -6.954 -14.958 330 HG2 GLU 591 HG2 GLU 591 53.152 -9.338 -15.378 331 HG3 GLU 591 HG3 GLU 591 51.425 -9.162 -15.100 332 H LYS 592 HN LYS 592 51.314 -5.825 -12.171 333 HA LYS 592 HA LYS 592 53.335 -3.876 -11.872 334 HB2 LYS 592 HB2 LYS 592 50.645 -4.171 -10.533 335 HB3 LYS 592 HB3 LYS 592 51.684 -2.770 -10.308 336 HG2 LYS 592 HG2 LYS 592 50.700 -3.725 -13.014 337 HG3 LYS 592 HG3 LYS 592 49.906 -2.471 -12.066 338 HD2 LYS 592 HD2 LYS 592 51.997 -1.131 -12.109 339 HD3 LYS 592 HD3 LYS 592 52.758 -2.369 -13.101 340 HE2 LYS 592 HE2 LYS 592 51.052 -2.028 -14.848 341 HE3 LYS 592 HE3 LYS 592 50.295 -0.779 -13.859 342 HZ1 LYS 592 HZ1 LYS 592 52.331 0.495 -13.940 343 HZ2 LYS 592 HZ2 LYS 592 51.798 0.156 -15.520 344 HZ3 LYS 592 HZ3 LYS 592 53.093 -0.717 -14.851 345 H LYS 593 HN LYS 593 52.073 -6.314 -9.641 346 HA LYS 593 HA LYS 593 53.384 -5.391 -7.306 347 HB2 LYS 593 HB2 LYS 593 51.560 -7.084 -7.381 348 HB3 LYS 593 HB3 LYS 593 52.701 -8.233 -8.068 349 HG2 LYS 593 HG2 LYS 593 54.105 -8.061 -6.059 350 HG3 LYS 593 HG3 LYS 593 52.990 -6.873 -5.378 351 HD2 LYS 593 HD2 LYS 593 51.173 -8.496 -5.502 352 HD3 LYS 593 HD3 LYS 593 52.278 -9.685 -6.181 353 HE2 LYS 593 HE2 LYS 593 53.614 -9.633 -4.116 354 HE3 LYS 593 HE3 LYS 593 52.540 -8.407 -3.445 355 HZ1 LYS 593 HZ1 LYS 593 51.572 -11.053 -4.364 356 HZ2 LYS 593 HZ2 LYS 593 50.750 -9.913 -3.408 357 HZ3 LYS 593 HZ3 LYS 593 52.073 -10.768 -2.767 358 H GLU 594 HN GLU 594 54.350 -7.577 -9.882 359 HA GLU 594 HA GLU 594 56.776 -8.489 -8.844 360 HB2 GLU 594 HB2 GLU 594 55.931 -7.973 -11.698 361 HB3 GLU 594 HB3 GLU 594 57.426 -8.787 -11.257 362 HG2 GLU 594 HG2 GLU 594 56.172 -10.543 -10.112 363 HG3 GLU 594 HG3 GLU 594 54.659 -9.704 -10.423 364 H GLU 595 HN GLU 595 56.081 -5.528 -10.787 365 HA GLU 595 HA GLU 595 58.809 -4.758 -10.956 366 HB2 GLU 595 HB2 GLU 595 58.062 -2.549 -11.628 367 HB3 GLU 595 HB3 GLU 595 57.155 -3.784 -12.474 368 HG2 GLU 595 HG2 GLU 595 55.201 -3.304 -11.340 369 HG3 GLU 595 HG3 GLU 595 56.010 -2.568 -9.974 370 H TRP 596 HN TRP 596 56.294 -3.968 -8.622 371 HA TRP 596 HA TRP 596 57.785 -2.115 -7.080 372 HB2 TRP 596 HB2 TRP 596 55.494 -3.941 -6.336 373 HB3 TRP 596 HB3 TRP 596 56.207 -2.794 -5.210 374 HD1 TRP 596 HD1 TRP 596 53.639 -3.056 -7.846 375 HE1 TRP 596 HE1 TRP 596 52.718 -0.732 -8.463 376 HE3 TRP 596 HE3 TRP 596 57.096 -0.115 -5.513 377 HZ2 TRP 596 HZ2 TRP 596 53.359 2.031 -7.995 378 HZ3 TRP 596 HZ3 TRP 596 56.913 2.354 -5.602 379 HH2 TRP 596 HH2 TRP 596 55.053 3.431 -6.838 380 H ASP 597 HN ASP 597 57.465 -5.650 -6.927 381 HA ASP 597 HA ASP 597 58.915 -6.081 -4.538 382 HB2 ASP 597 HB2 ASP 597 58.254 -7.760 -6.936 383 HB3 ASP 597 HB3 ASP 597 59.413 -8.361 -5.759 384 H ARG 598 HN ARG 598 59.914 -5.794 -7.924 385 HA ARG 598 HA ARG 598 62.629 -6.502 -7.624 386 HB2 ARG 598 HB2 ARG 598 61.207 -4.738 -9.623 387 HB3 ARG 598 HB3 ARG 598 62.929 -5.092 -9.725 388 HG2 ARG 598 HG2 ARG 598 62.455 -7.493 -9.862 389 HG3 ARG 598 HG3 ARG 598 60.731 -7.184 -9.678 390 HD2 ARG 598 HD2 ARG 598 60.739 -5.879 -11.774 391 HD3 ARG 598 HD3 ARG 598 62.465 -6.170 -11.953 392 HE ARG 598 HE ARG 598 61.252 -8.671 -11.721 393 HH11 ARG 598 HH11 ARG 598 61.168 -5.972 -13.968 394 HH12 ARG 598 HH12 ARG 598 60.768 -6.975 -15.323 395 HH21 ARG 598 HH21 ARG 598 60.718 -9.916 -13.508 396 HH22 ARG 598 HH22 ARG 598 60.516 -9.184 -15.063 397 H LYS 599 HN LYS 599 60.979 -3.334 -7.407 398 HA LYS 599 HA LYS 599 63.299 -1.748 -7.051 399 HB2 LYS 599 HB2 LYS 599 60.462 -1.322 -6.078 400 HB3 LYS 599 HB3 LYS 599 61.741 -0.135 -5.880 401 HG2 LYS 599 HG2 LYS 599 62.031 -0.036 -8.332 402 HG3 LYS 599 HG3 LYS 599 60.741 -1.222 -8.530 403 HD2 LYS 599 HD2 LYS 599 59.154 0.313 -7.418 404 HD3 LYS 599 HD3 LYS 599 60.440 1.496 -7.208 405 HE2 LYS 599 HE2 LYS 599 60.695 1.657 -9.659 406 HE3 LYS 599 HE3 LYS 599 59.415 0.467 -9.873 407 HZ1 LYS 599 HZ1 LYS 599 59.004 3.104 -9.829 408 HZ2 LYS 599 HZ2 LYS 599 58.739 2.737 -8.190 409 HZ3 LYS 599 HZ3 LYS 599 57.824 1.963 -9.396 410 H ALA 600 HN ALA 600 61.176 -3.417 -4.762 411 HA ALA 600 HA ALA 600 62.358 -2.491 -2.378 412 HB1 ALA 600 HB1 ALA 600 61.232 -5.248 -2.464 413 HB2 ALA 600 HB2 ALA 600 60.159 -3.919 -2.899 414 HB3 ALA 600 HB3 ALA 600 60.936 -3.941 -1.317 415 H GLU 601 HN GLU 601 63.074 -5.298 -4.434 416 HA GLU 601 HA GLU 601 65.013 -6.470 -2.709 417 HB2 GLU 601 HB2 GLU 601 64.585 -6.714 -5.691 418 HB3 GLU 601 HB3 GLU 601 65.786 -7.644 -4.799 419 HG2 GLU 601 HG2 GLU 601 62.815 -7.641 -4.183 420 HG3 GLU 601 HG3 GLU 601 63.629 -8.875 -5.134 421 H ASP 602 HN ASP 602 65.225 -4.129 -5.380 422 HA ASP 602 HA ASP 602 68.049 -4.027 -5.532 423 HB2 ASP 602 HB2 ASP 602 65.845 -2.186 -6.384 424 HB3 ASP 602 HB3 ASP 602 67.502 -1.598 -6.398 425 H ALA 603 HN ALA 603 65.705 -2.267 -3.568 426 HA ALA 603 HA ALA 603 67.508 -0.404 -2.433 427 HB1 ALA 603 HB1 ALA 603 65.052 -0.152 -2.322 428 HB2 ALA 603 HB2 ALA 603 65.791 -0.073 -0.722 429 HB3 ALA 603 HB3 ALA 603 64.967 -1.543 -1.242 430 H ARG 604 HN ARG 604 66.535 -3.692 -1.532 431 HA ARG 604 HA ARG 604 67.801 -3.816 0.989 432 HB2 ARG 604 HB2 ARG 604 67.144 -5.970 -1.035 433 HB3 ARG 604 HB3 ARG 604 67.843 -6.320 0.542 434 HG2 ARG 604 HG2 ARG 604 65.916 -5.254 1.650 435 HG3 ARG 604 HG3 ARG 604 65.221 -4.857 0.081 436 HD2 ARG 604 HD2 ARG 604 65.043 -7.234 -0.477 437 HD3 ARG 604 HD3 ARG 604 65.833 -7.674 1.030 438 HE ARG 604 HE ARG 604 63.581 -6.156 1.706 439 HH11 ARG 604 HH11 ARG 604 64.237 -9.204 0.091 440 HH12 ARG 604 HH12 ARG 604 62.745 -9.924 0.603 441 HH21 ARG 604 HH21 ARG 604 61.666 -7.164 2.376 442 HH22 ARG 604 HH22 ARG 604 61.314 -8.786 1.878 443 H ARG 605 HN ARG 605 68.979 -4.500 -2.301 444 HA ARG 605 HA ARG 605 71.544 -5.475 -1.567 445 HB2 ARG 605 HB2 ARG 605 70.612 -4.094 -4.098 446 HB3 ARG 605 HB3 ARG 605 72.205 -4.812 -3.902 447 HG2 ARG 605 HG2 ARG 605 71.039 -6.994 -3.345 448 HG3 ARG 605 HG3 ARG 605 69.528 -6.229 -3.836 449 HD2 ARG 605 HD2 ARG 605 71.995 -6.528 -5.582 450 HD3 ARG 605 HD3 ARG 605 70.541 -7.512 -5.702 451 HE ARG 605 HE ARG 605 69.709 -4.873 -5.940 452 HH11 ARG 605 HH11 ARG 605 71.825 -7.035 -7.710 453 HH12 ARG 605 HH12 ARG 605 71.561 -6.231 -9.223 454 HH21 ARG 605 HH21 ARG 605 69.420 -3.849 -7.922 455 HH22 ARG 605 HH22 ARG 605 70.215 -4.449 -9.340 456 H ASP 606 HN ASP 606 70.276 -2.240 -2.217 457 HA ASP 606 HA ASP 606 72.725 -0.832 -2.201 458 HB2 ASP 606 HB2 ASP 606 69.850 -0.085 -1.815 459 HB3 ASP 606 HB3 ASP 606 71.098 1.098 -1.442 460 H TYR 607 HN TYR 607 70.495 -1.741 0.422 461 HA TYR 607 HA TYR 607 71.683 -0.210 2.488 462 HB2 TYR 607 HB2 TYR 607 70.121 -2.793 2.505 463 HB3 TYR 607 HB3 TYR 607 70.796 -2.122 3.983 464 HD1 TYR 607 HD1 TYR 607 70.141 0.266 4.661 465 HD2 TYR 607 HD2 TYR 607 68.090 -1.952 1.607 466 HE1 TYR 607 HE1 TYR 607 68.175 1.762 4.891 467 HE2 TYR 607 HE2 TYR 607 66.133 -0.450 1.829 468 HH TYR 607 HH TYR 607 65.439 1.308 4.284 469 H GLU 608 HN GLU 608 72.264 -3.513 1.334 470 HA GLU 608 HA GLU 608 74.292 -4.208 3.177 471 HB2 GLU 608 HB2 GLU 608 73.744 -5.193 0.366 472 HB3 GLU 608 HB3 GLU 608 74.914 -5.925 1.457 473 HG2 GLU 608 HG2 GLU 608 73.138 -6.443 3.062 474 HG3 GLU 608 HG3 GLU 608 71.953 -5.627 2.052 475 H LYS 609 HN LYS 609 74.375 -2.748 -0.049 476 HA LYS 609 HA LYS 609 77.176 -2.699 -0.402 477 HB2 LYS 609 HB2 LYS 609 75.509 -2.328 -2.218 478 HB3 LYS 609 HB3 LYS 609 75.116 -0.766 -1.509 479 HG2 LYS 609 HG2 LYS 609 77.429 -0.007 -1.853 480 HG3 LYS 609 HG3 LYS 609 77.869 -1.587 -2.499 481 HD2 LYS 609 HD2 LYS 609 76.203 -1.276 -4.319 482 HD3 LYS 609 HD3 LYS 609 75.838 0.327 -3.691 483 HE2 LYS 609 HE2 LYS 609 78.557 -0.589 -4.688 484 HE3 LYS 609 HE3 LYS 609 77.437 0.439 -5.577 485 HZ1 LYS 609 HZ1 LYS 609 79.132 1.737 -4.449 486 HZ2 LYS 609 HZ2 LYS 609 78.664 1.086 -2.950 487 HZ3 LYS 609 HZ3 LYS 609 77.595 2.083 -3.818 488 H ALA 610 HN ALA 610 74.924 -0.294 0.931 489 HA ALA 610 HA ALA 610 76.841 1.735 1.436 490 HB1 ALA 610 HB1 ALA 610 74.293 1.261 2.988 491 HB2 ALA 610 HB2 ALA 610 74.333 2.032 1.402 492 HB3 ALA 610 HB3 ALA 610 75.153 2.785 2.770 493 H MET 611 HN MET 611 75.594 -0.943 3.359 494 HA MET 611 HA MET 611 76.884 -0.287 5.797 495 HB2 MET 611 HB2 MET 611 75.780 -2.845 4.638 496 HB3 MET 611 HB3 MET 611 76.591 -2.824 6.201 497 HG2 MET 611 HG2 MET 611 74.210 -1.082 5.477 498 HG3 MET 611 HG3 MET 611 74.105 -2.586 6.384 499 HE1 MET 611 HE1 MET 611 75.095 1.056 6.236 500 HE2 MET 611 HE2 MET 611 74.950 1.529 7.927 501 HE3 MET 611 HE3 MET 611 73.555 0.856 7.089 502 H LYS 612 HN LYS 612 77.863 -2.140 2.950 503 HA LYS 612 HA LYS 612 80.220 -3.292 3.993 504 HB2 LYS 612 HB2 LYS 612 79.102 -3.999 1.880 505 HB3 LYS 612 HB3 LYS 612 79.639 -2.505 1.123 506 HG2 LYS 612 HG2 LYS 612 81.982 -3.137 1.466 507 HG3 LYS 612 HG3 LYS 612 81.487 -4.593 2.328 508 HD2 LYS 612 HD2 LYS 612 80.320 -5.385 0.284 509 HD3 LYS 612 HD3 LYS 612 80.872 -3.949 -0.572 510 HE2 LYS 612 HE2 LYS 612 82.694 -6.023 0.692 511 HE3 LYS 612 HE3 LYS 612 82.315 -5.924 -1.025 512 HZ1 LYS 612 HZ1 LYS 612 83.104 -3.415 -0.489 513 HZ2 LYS 612 HZ2 LYS 612 84.121 -4.633 -1.098 514 HZ3 LYS 612 HZ3 LYS 612 84.093 -4.299 0.568 515 H GLU 613 HN GLU 613 79.650 -0.172 2.359 516 HA GLU 613 HA GLU 613 82.467 0.537 2.496 517 HB2 GLU 613 HB2 GLU 613 80.035 2.129 1.660 518 HB3 GLU 613 HB3 GLU 613 81.671 2.772 1.670 519 HG2 GLU 613 HG2 GLU 613 82.383 1.036 0.079 520 HG3 GLU 613 HG3 GLU 613 80.765 0.346 0.090 521 H TYR 614 HN TYR 614 79.508 1.207 4.276 522 HA TYR 614 HA TYR 614 80.393 3.380 5.847 523 HB2 TYR 614 HB2 TYR 614 78.025 2.704 5.667 524 HB3 TYR 614 HB3 TYR 614 78.381 1.208 6.520 525 HD1 TYR 614 HD1 TYR 614 78.410 4.932 6.874 526 HD2 TYR 614 HD2 TYR 614 78.418 1.141 8.903 527 HE1 TYR 614 HE1 TYR 614 78.027 6.084 9.037 528 HE2 TYR 614 HE2 TYR 614 78.035 2.296 11.061 529 HH TYR 614 HH TYR 614 78.318 4.475 12.065 530 H GLU 615 HN GLU 615 80.393 -0.126 6.469 531 HA GLU 615 HA GLU 615 81.658 0.001 9.009 532 HB2 GLU 615 HB2 GLU 615 81.512 -2.225 6.965 533 HB3 GLU 615 HB3 GLU 615 82.181 -2.415 8.582 534 HG2 GLU 615 HG2 GLU 615 80.031 -1.791 9.575 535 HG3 GLU 615 HG3 GLU 615 79.351 -1.509 7.979 536 H GLY 616 HN GLY 616 82.881 -0.423 5.709 537 HA2 GLY 616 HA2 GLY 616 85.614 -0.805 6.497 538 HA3 GLY 616 HA3 GLY 616 85.028 -0.521 4.862 539 H GLY 617 HN GLY 617 87.327 0.653 5.505 540 HA2 GLY 617 HA2 GLY 617 86.693 3.480 5.336 541 HA3 GLY 617 HA3 GLY 617 87.608 3.019 6.770 Start of MODEL 12 1 H MET 551 HT1 MET 551 59.982 -2.954 2.420 2 HA MET 551 HA MET 551 62.082 -5.032 2.146 3 HB2 MET 551 HB2 MET 551 59.781 -4.636 4.079 4 HB3 MET 551 HB3 MET 551 60.665 -6.151 3.919 5 HG2 MET 551 HG2 MET 551 62.775 -4.946 4.449 6 HG3 MET 551 HG3 MET 551 61.845 -3.470 4.701 7 HE1 MET 551 HE1 MET 551 59.655 -4.207 7.774 8 HE2 MET 551 HE2 MET 551 59.366 -3.970 6.051 9 HE3 MET 551 HE3 MET 551 60.495 -2.918 6.901 10 H SER 552 HN SER 552 58.692 -4.099 1.686 11 HA SER 552 HA SER 552 58.374 -6.396 -0.149 12 HB2 SER 552 HB2 SER 552 56.367 -5.332 1.852 13 HB3 SER 552 HB3 SER 552 55.985 -6.501 0.590 14 HG SER 552 HG SER 552 57.414 -7.930 1.512 15 H ALA 553 HN ALA 553 56.970 -6.074 -1.913 16 HA ALA 553 HA ALA 553 57.088 -3.518 -3.128 17 HB1 ALA 553 HB1 ALA 553 55.181 -4.675 -4.586 18 HB2 ALA 553 HB2 ALA 553 55.732 -6.113 -3.728 19 HB3 ALA 553 HB3 ALA 553 56.865 -5.184 -4.712 20 H TYR 554 HN TYR 554 54.638 -5.213 -1.299 21 HA TYR 554 HA TYR 554 52.427 -3.532 -1.695 22 HB2 TYR 554 HB2 TYR 554 52.292 -5.782 -0.740 23 HB3 TYR 554 HB3 TYR 554 53.226 -5.269 0.659 24 HD1 TYR 554 HD1 TYR 554 52.190 -4.135 2.497 25 HD2 TYR 554 HD2 TYR 554 49.993 -4.833 -1.129 26 HE1 TYR 554 HE1 TYR 554 50.090 -3.483 3.646 27 HE2 TYR 554 HE2 TYR 554 47.890 -4.168 0.014 28 HH TYR 554 HH TYR 554 47.112 -4.194 2.579 29 H MET 555 HN MET 555 55.044 -3.458 0.731 30 HA MET 555 HA MET 555 54.057 -1.326 2.299 31 HB2 MET 555 HB2 MET 555 55.843 -2.858 3.041 32 HB3 MET 555 HB3 MET 555 56.933 -2.173 1.843 33 HG2 MET 555 HG2 MET 555 56.741 0.042 2.945 34 HG3 MET 555 HG3 MET 555 55.659 -0.661 4.148 35 HE1 MET 555 HE1 MET 555 59.377 0.256 3.521 36 HE2 MET 555 HE2 MET 555 59.016 -1.015 2.357 37 HE3 MET 555 HE3 MET 555 60.176 -1.316 3.651 38 H LEU 556 HN LEU 556 56.367 -1.316 -0.444 39 HA LEU 556 HA LEU 556 56.832 1.483 -0.456 40 HB2 LEU 556 HB2 LEU 556 57.033 -0.579 -2.662 41 HB3 LEU 556 HB3 LEU 556 57.522 1.098 -2.863 42 HG LEU 556 HG LEU 556 58.657 -0.733 -0.726 43 HD11 LEU 556 HD11 LEU 556 60.661 -0.811 -2.243 44 HD12 LEU 556 HD12 LEU 556 59.704 0.007 -3.477 45 HD13 LEU 556 HD13 LEU 556 59.246 -1.606 -2.934 46 HD21 LEU 556 HD21 LEU 556 59.544 1.958 -1.836 47 HD22 LEU 556 HD22 LEU 556 60.454 1.007 -0.665 48 HD23 LEU 556 HD23 LEU 556 58.884 1.677 -0.226 49 H TRP 557 HN TRP 557 54.535 -0.558 -2.200 50 HA TRP 557 HA TRP 557 53.331 1.411 -3.829 51 HB2 TRP 557 HB2 TRP 557 53.130 -0.955 -4.288 52 HB3 TRP 557 HB3 TRP 557 52.377 -1.241 -2.734 53 HD1 TRP 557 HD1 TRP 557 51.594 -0.441 -6.294 54 HE1 TRP 557 HE1 TRP 557 49.042 -0.221 -6.585 55 HE3 TRP 557 HE3 TRP 557 50.154 -0.169 -1.393 56 HZ2 TRP 557 HZ2 TRP 557 46.702 0.029 -4.953 57 HZ3 TRP 557 HZ3 TRP 557 47.768 0.075 -0.800 58 HH2 TRP 557 HH2 TRP 557 46.036 0.173 -2.574 59 H LEU 558 HN LEU 558 52.504 0.155 -0.620 60 HA LEU 558 HA LEU 558 50.100 1.573 -0.227 61 HB2 LEU 558 HB2 LEU 558 51.210 -0.383 1.132 62 HB3 LEU 558 HB3 LEU 558 51.944 0.919 2.052 63 HG LEU 558 HG LEU 558 48.967 0.443 1.657 64 HD11 LEU 558 HD11 LEU 558 50.073 -1.135 3.200 65 HD12 LEU 558 HD12 LEU 558 49.024 -0.032 4.093 66 HD13 LEU 558 HD13 LEU 558 50.769 0.219 4.090 67 HD21 LEU 558 HD21 LEU 558 49.130 2.801 1.893 68 HD22 LEU 558 HD22 LEU 558 50.489 2.685 3.010 69 HD23 LEU 558 HD23 LEU 558 48.866 2.250 3.544 70 H ASN 559 HN ASN 559 53.481 2.395 0.567 71 HA ASN 559 HA ASN 559 52.947 4.753 2.010 72 HB2 ASN 559 HB2 ASN 559 55.120 3.598 1.994 73 HB3 ASN 559 HB3 ASN 559 55.350 4.056 0.311 74 HD21 ASN 559 HD21 ASN 559 57.153 4.824 2.418 75 HD22 ASN 559 HD22 ASN 559 57.093 6.514 2.572 76 H ALA 560 HN ALA 560 53.647 4.269 -1.443 77 HA ALA 560 HA ALA 560 53.402 7.040 -2.111 78 HB1 ALA 560 HB1 ALA 560 54.728 5.787 -3.587 79 HB2 ALA 560 HB2 ALA 560 53.234 6.051 -4.485 80 HB3 ALA 560 HB3 ALA 560 53.533 4.496 -3.709 81 H SER 561 HN SER 561 51.255 4.258 -2.234 82 HA SER 561 HA SER 561 49.103 5.606 -3.548 83 HB2 SER 561 HB2 SER 561 49.324 2.957 -2.146 84 HB3 SER 561 HB3 SER 561 47.798 3.548 -2.786 85 HG SER 561 HG SER 561 49.857 2.434 -4.090 86 H ARG 562 HN ARG 562 50.048 5.296 -0.208 87 HA ARG 562 HA ARG 562 47.641 5.559 1.143 88 HB2 ARG 562 HB2 ARG 562 49.817 5.163 2.238 89 HB3 ARG 562 HB3 ARG 562 50.298 6.818 1.885 90 HG2 ARG 562 HG2 ARG 562 48.400 7.632 3.257 91 HG3 ARG 562 HG3 ARG 562 47.963 5.963 3.627 92 HD2 ARG 562 HD2 ARG 562 49.279 6.775 5.480 93 HD3 ARG 562 HD3 ARG 562 50.284 5.655 4.568 94 HE ARG 562 HE ARG 562 50.722 8.275 3.598 95 HH11 ARG 562 HH11 ARG 562 51.355 6.340 6.450 96 HH12 ARG 562 HH12 ARG 562 52.788 7.216 6.869 97 HH21 ARG 562 HH21 ARG 562 52.603 9.380 4.178 98 HH22 ARG 562 HH22 ARG 562 53.486 8.918 5.594 99 H GLU 563 HN GLU 563 49.670 8.154 -0.231 100 HA GLU 563 HA GLU 563 48.059 10.309 0.688 101 HB2 GLU 563 HB2 GLU 563 50.421 10.546 -0.021 102 HB3 GLU 563 HB3 GLU 563 49.943 10.187 -1.677 103 HG2 GLU 563 HG2 GLU 563 50.117 12.587 -1.470 104 HG3 GLU 563 HG3 GLU 563 48.411 12.184 -1.598 105 H LYS 564 HN LYS 564 48.137 8.427 -2.315 106 HA LYS 564 HA LYS 564 46.227 9.935 -3.764 107 HB2 LYS 564 HB2 LYS 564 46.992 7.011 -3.952 108 HB3 LYS 564 HB3 LYS 564 45.939 7.830 -5.101 109 HG2 LYS 564 HG2 LYS 564 47.759 9.417 -5.639 110 HG3 LYS 564 HG3 LYS 564 48.815 8.588 -4.495 111 HD2 LYS 564 HD2 LYS 564 48.604 6.502 -5.804 112 HD3 LYS 564 HD3 LYS 564 47.549 7.326 -6.951 113 HE2 LYS 564 HE2 LYS 564 49.379 8.907 -7.488 114 HE3 LYS 564 HE3 LYS 564 50.434 8.061 -6.359 115 HZ1 LYS 564 HZ1 LYS 564 50.621 6.265 -7.730 116 HZ2 LYS 564 HZ2 LYS 564 50.436 7.484 -8.896 117 HZ3 LYS 564 HZ3 LYS 564 49.115 6.509 -8.467 118 H ILE 565 HN ILE 565 45.890 7.046 -1.708 119 HA ILE 565 HA ILE 565 43.098 6.722 -2.057 120 HB ILE 565 HB ILE 565 44.808 5.804 0.280 121 HG12 ILE 565 HG12 ILE 565 43.962 4.193 -2.145 122 HG13 ILE 565 HG13 ILE 565 45.482 5.071 -2.108 123 HG21 ILE 565 HG21 ILE 565 42.297 5.791 0.609 124 HG22 ILE 565 HG22 ILE 565 43.034 4.191 0.683 125 HG23 ILE 565 HG23 ILE 565 42.179 4.702 -0.772 126 HD11 ILE 565 HD11 ILE 565 44.634 2.694 -0.471 127 HD12 ILE 565 HD12 ILE 565 45.845 3.799 0.177 128 HD13 ILE 565 HD13 ILE 565 46.145 2.954 -1.342 129 H LYS 566 HN LYS 566 45.007 8.333 0.493 130 HA LYS 566 HA LYS 566 42.823 9.114 2.096 131 HB2 LYS 566 HB2 LYS 566 45.594 10.269 1.772 132 HB3 LYS 566 HB3 LYS 566 44.419 10.941 2.897 133 HG2 LYS 566 HG2 LYS 566 44.242 8.775 4.031 134 HG3 LYS 566 HG3 LYS 566 45.402 8.073 2.902 135 HD2 LYS 566 HD2 LYS 566 47.126 9.653 3.666 136 HD3 LYS 566 HD3 LYS 566 45.969 10.411 4.757 137 HE2 LYS 566 HE2 LYS 566 45.733 8.289 5.994 138 HE3 LYS 566 HE3 LYS 566 46.878 7.520 4.902 139 HZ1 LYS 566 HZ1 LYS 566 47.771 9.983 6.165 140 HZ2 LYS 566 HZ2 LYS 566 48.625 8.551 5.859 141 HZ3 LYS 566 HZ3 LYS 566 47.585 8.653 7.197 142 H SER 567 HN SER 567 44.455 10.762 -0.602 143 HA SER 567 HA SER 567 42.956 13.171 -0.432 144 HB2 SER 567 HB2 SER 567 44.315 11.992 -2.863 145 HB3 SER 567 HB3 SER 567 43.842 13.673 -2.635 146 HG SER 567 HG SER 567 45.264 13.704 -0.819 147 H ASP 568 HN ASP 568 42.511 10.167 -2.245 148 HA ASP 568 HA ASP 568 40.252 11.055 -3.760 149 HB2 ASP 568 HB2 ASP 568 41.799 9.148 -4.346 150 HB3 ASP 568 HB3 ASP 568 41.004 8.209 -3.089 151 H HIS 569 HN HIS 569 40.665 9.520 -0.619 152 HA HIS 569 HA HIS 569 37.741 9.723 -0.199 153 HB2 HIS 569 HB2 HIS 569 39.299 7.588 1.232 154 HB3 HIS 569 HB3 HIS 569 37.578 7.657 0.876 155 HD2 HIS 569 HD2 HIS 569 40.887 6.410 -0.751 156 HE1 HIS 569 HE1 HIS 569 37.755 5.502 -3.430 157 HE2 HIS 569 HE2 HIS 569 40.217 5.148 -2.932 158 HA PRO 570 HA PRO 570 40.178 12.184 2.940 159 HB2 PRO 570 HB2 PRO 570 37.872 14.025 2.621 160 HB3 PRO 570 HB3 PRO 570 39.610 14.378 2.582 161 HG2 PRO 570 HG2 PRO 570 38.163 14.434 0.365 162 HG3 PRO 570 HG3 PRO 570 39.811 13.778 0.364 163 HD2 PRO 570 HD2 PRO 570 37.199 12.282 0.413 164 HD3 PRO 570 HD3 PRO 570 38.660 11.957 -0.553 165 H GLY 571 HN GLY 571 39.816 12.197 5.120 166 HA2 GLY 571 HA2 GLY 571 38.662 12.075 7.134 167 HA3 GLY 571 HA3 GLY 571 37.155 11.985 6.236 168 H ILE 572 HN ILE 572 39.433 9.696 5.118 169 HA ILE 572 HA ILE 572 37.902 7.564 6.379 170 HB ILE 572 HB ILE 572 38.348 7.397 3.963 171 HG12 ILE 572 HG12 ILE 572 39.903 5.261 5.440 172 HG13 ILE 572 HG13 ILE 572 38.149 5.391 5.550 173 HG21 ILE 572 HG21 ILE 572 41.256 6.953 4.670 174 HG22 ILE 572 HG22 ILE 572 40.648 8.521 4.144 175 HG23 ILE 572 HG23 ILE 572 40.546 7.127 3.065 176 HD11 ILE 572 HD11 ILE 572 39.167 3.801 3.755 177 HD12 ILE 572 HD12 ILE 572 39.494 5.283 2.858 178 HD13 ILE 572 HD13 ILE 572 37.837 4.861 3.291 179 H SER 573 HN SER 573 38.670 6.114 7.816 180 HA SER 573 HA SER 573 40.811 6.938 9.502 181 HB2 SER 573 HB2 SER 573 40.282 4.965 10.810 182 HB3 SER 573 HB3 SER 573 38.780 5.725 10.289 183 HG SER 573 HG SER 573 38.377 3.792 9.554 184 H ILE 574 HN ILE 574 42.671 5.639 10.094 185 HA ILE 574 HA ILE 574 44.282 4.936 7.880 186 HB ILE 574 HB ILE 574 44.616 4.410 10.851 187 HG12 ILE 574 HG12 ILE 574 46.009 6.409 9.049 188 HG13 ILE 574 HG13 ILE 574 44.542 6.796 9.944 189 HG21 ILE 574 HG21 ILE 574 46.578 4.034 8.555 190 HG22 ILE 574 HG22 ILE 574 45.987 2.783 9.649 191 HG23 ILE 574 HG23 ILE 574 47.049 4.054 10.255 192 HD11 ILE 574 HD11 ILE 574 47.201 5.929 11.131 193 HD12 ILE 574 HD12 ILE 574 45.725 6.168 12.066 194 HD13 ILE 574 HD13 ILE 574 46.478 7.534 11.242 195 H THR 575 HN THR 575 42.528 2.996 10.263 196 HA THR 575 HA THR 575 43.410 0.453 9.480 197 HB THR 575 HB THR 575 40.660 1.120 10.538 198 HG1 THR 575 HG3 THR 575 41.553 1.319 12.483 199 HG21 THR 575 HG21 THR 575 42.422 -1.269 11.098 200 HG22 THR 575 HG22 THR 575 41.263 -1.241 9.769 201 HG23 THR 575 HG23 THR 575 40.701 -1.088 11.433 202 H ASP 576 HN ASP 576 40.639 2.395 8.396 203 HA ASP 576 HA ASP 576 39.582 0.481 6.590 204 HB2 ASP 576 HB2 ASP 576 39.277 3.436 6.953 205 HB3 ASP 576 HB3 ASP 576 38.655 2.683 5.490 206 H LEU 577 HN LEU 577 42.034 3.004 6.276 207 HA LEU 577 HA LEU 577 42.315 3.007 3.472 208 HB2 LEU 577 HB2 LEU 577 44.235 3.631 5.708 209 HB3 LEU 577 HB3 LEU 577 44.732 3.707 4.027 210 HG LEU 577 HG LEU 577 42.413 5.271 5.205 211 HD11 LEU 577 HD11 LEU 577 44.783 5.852 6.002 212 HD12 LEU 577 HD12 LEU 577 43.878 7.162 5.246 213 HD13 LEU 577 HD13 LEU 577 45.118 6.306 4.331 214 HD21 LEU 577 HD21 LEU 577 42.736 6.592 3.044 215 HD22 LEU 577 HD22 LEU 577 42.071 4.974 2.828 216 HD23 LEU 577 HD23 LEU 577 43.775 5.280 2.491 217 H SER 578 HN SER 578 43.854 1.046 6.001 218 HA SER 578 HA SER 578 45.725 -0.298 4.404 219 HB2 SER 578 HB2 SER 578 45.928 -1.848 6.191 220 HB3 SER 578 HB3 SER 578 45.543 -0.302 6.935 221 HG SER 578 HG SER 578 44.242 -2.570 7.156 222 H LYS 579 HN LYS 579 42.367 -1.092 5.195 223 HA LYS 579 HA LYS 579 42.233 -3.577 3.829 224 HB2 LYS 579 HB2 LYS 579 40.025 -1.563 4.331 225 HB3 LYS 579 HB3 LYS 579 39.785 -3.224 3.808 226 HG2 LYS 579 HG2 LYS 579 41.176 -2.461 6.392 227 HG3 LYS 579 HG3 LYS 579 39.470 -2.878 6.281 228 HD2 LYS 579 HD2 LYS 579 40.083 -5.108 5.383 229 HD3 LYS 579 HD3 LYS 579 41.790 -4.691 5.537 230 HE2 LYS 579 HE2 LYS 579 41.517 -4.392 7.960 231 HE3 LYS 579 HE3 LYS 579 39.801 -4.771 7.822 232 HZ1 LYS 579 HZ1 LYS 579 42.070 -6.579 7.202 233 HZ2 LYS 579 HZ2 LYS 579 40.439 -6.949 6.912 234 HZ3 LYS 579 HZ3 LYS 579 40.990 -6.719 8.501 235 H LYS 580 HN LYS 580 41.531 -0.248 2.829 236 HA LYS 580 HA LYS 580 40.654 -0.799 0.195 237 HB2 LYS 580 HB2 LYS 580 41.825 1.641 1.525 238 HB3 LYS 580 HB3 LYS 580 41.491 1.626 -0.206 239 HG2 LYS 580 HG2 LYS 580 39.129 0.959 0.310 240 HG3 LYS 580 HG3 LYS 580 39.496 1.163 2.025 241 HD2 LYS 580 HD2 LYS 580 40.031 3.501 1.692 242 HD3 LYS 580 HD3 LYS 580 39.853 3.335 -0.054 243 HE2 LYS 580 HE2 LYS 580 37.465 2.745 0.260 244 HE3 LYS 580 HE3 LYS 580 37.647 2.970 1.998 245 HZ1 LYS 580 HZ1 LYS 580 36.974 5.043 1.481 246 HZ2 LYS 580 HZ2 LYS 580 37.506 4.948 -0.129 247 HZ3 LYS 580 HZ3 LYS 580 38.613 5.276 1.116 248 H ALA 581 HN ALA 581 43.837 -0.220 1.572 249 HA ALA 581 HA ALA 581 45.314 0.049 -0.794 250 HB1 ALA 581 HB1 ALA 581 46.482 0.625 1.144 251 HB2 ALA 581 HB2 ALA 581 47.171 -0.956 0.770 252 HB3 ALA 581 HB3 ALA 581 45.931 -0.804 2.015 253 H GLY 582 HN GLY 582 44.490 -2.805 1.147 254 HA2 GLY 582 HA2 GLY 582 45.852 -4.694 -0.495 255 HA3 GLY 582 HA3 GLY 582 44.612 -5.061 0.699 256 H GLU 583 HN GLU 583 42.538 -3.440 -0.414 257 HA GLU 583 HA GLU 583 41.407 -5.247 -2.272 258 HB2 GLU 583 HB2 GLU 583 40.080 -3.853 -0.721 259 HB3 GLU 583 HB3 GLU 583 40.565 -2.414 -1.612 260 HG2 GLU 583 HG2 GLU 583 39.433 -3.211 -3.615 261 HG3 GLU 583 HG3 GLU 583 39.056 -4.745 -2.837 262 H ILE 584 HN ILE 584 42.914 -2.042 -2.699 263 HA ILE 584 HA ILE 584 42.373 -1.844 -5.473 264 HB ILE 584 HB ILE 584 44.511 -0.521 -3.764 265 HG12 ILE 584 HG12 ILE 584 41.944 0.564 -4.979 266 HG13 ILE 584 HG13 ILE 584 42.044 -0.065 -3.337 267 HG21 ILE 584 HG21 ILE 584 43.684 -0.036 -6.658 268 HG22 ILE 584 HG22 ILE 584 45.276 -0.536 -6.097 269 HG23 ILE 584 HG23 ILE 584 44.677 1.082 -5.723 270 HD11 ILE 584 HD11 ILE 584 43.936 2.100 -4.249 271 HD12 ILE 584 HD12 ILE 584 43.430 1.697 -2.609 272 HD13 ILE 584 HD13 ILE 584 42.310 2.512 -3.703 273 H TRP 585 HN TRP 585 45.164 -3.095 -3.665 274 HA TRP 585 HA TRP 585 46.871 -3.678 -5.798 275 HB2 TRP 585 HB2 TRP 585 46.653 -4.392 -2.984 276 HB3 TRP 585 HB3 TRP 585 47.174 -5.790 -3.915 277 HD1 TRP 585 HD1 TRP 585 48.706 -3.338 -2.008 278 HE1 TRP 585 HE1 TRP 585 51.045 -2.648 -2.897 279 HE3 TRP 585 HE3 TRP 585 48.379 -5.175 -6.716 280 HZ2 TRP 585 HZ2 TRP 585 52.565 -2.860 -5.359 281 HZ3 TRP 585 HZ3 TRP 585 50.249 -4.933 -8.318 282 HH2 TRP 585 HH2 TRP 585 52.329 -3.781 -7.636 283 H LYS 586 HN LYS 586 44.393 -5.671 -4.296 284 HA LYS 586 HA LYS 586 44.768 -8.024 -5.775 285 HB2 LYS 586 HB2 LYS 586 43.428 -7.840 -3.704 286 HB3 LYS 586 HB3 LYS 586 42.190 -6.963 -4.593 287 HG2 LYS 586 HG2 LYS 586 41.815 -8.920 -6.035 288 HG3 LYS 586 HG3 LYS 586 43.100 -9.797 -5.204 289 HD2 LYS 586 HD2 LYS 586 41.838 -9.616 -3.078 290 HD3 LYS 586 HD3 LYS 586 40.548 -8.763 -3.922 291 HE2 LYS 586 HE2 LYS 586 40.168 -10.727 -5.356 292 HE3 LYS 586 HE3 LYS 586 41.474 -11.585 -4.542 293 HZ1 LYS 586 HZ1 LYS 586 40.223 -11.944 -2.712 294 HZ2 LYS 586 HZ2 LYS 586 38.941 -11.799 -3.816 295 HZ3 LYS 586 HZ3 LYS 586 39.382 -10.479 -2.842 296 H GLY 587 HN GLY 587 42.875 -5.129 -6.540 297 HA2 GLY 587 HA2 GLY 587 41.771 -6.337 -8.959 298 HA3 GLY 587 HA3 GLY 587 41.464 -4.708 -8.373 299 H MET 588 HN MET 588 44.573 -4.554 -8.090 300 HA MET 588 HA MET 588 45.032 -3.193 -10.551 301 HB2 MET 588 HB2 MET 588 45.987 -2.607 -8.279 302 HB3 MET 588 HB3 MET 588 47.116 -3.943 -8.502 303 HG2 MET 588 HG2 MET 588 48.188 -2.908 -10.299 304 HG3 MET 588 HG3 MET 588 46.817 -1.861 -10.658 305 HE1 MET 588 HE1 MET 588 49.913 -1.862 -7.495 306 HE2 MET 588 HE2 MET 588 50.517 -1.067 -8.947 307 HE3 MET 588 HE3 MET 588 49.831 -2.681 -9.062 308 H SER 589 HN SER 589 46.667 -3.613 -12.083 309 HA SER 589 HA SER 589 46.630 -6.194 -13.173 310 HB2 SER 589 HB2 SER 589 48.285 -3.745 -13.706 311 HB3 SER 589 HB3 SER 589 48.568 -5.240 -14.594 312 HG SER 589 HG SER 589 46.626 -5.082 -15.502 313 H LYS 590 HN LYS 590 48.099 -7.816 -13.350 314 HA LYS 590 HA LYS 590 49.725 -8.465 -11.136 315 HB2 LYS 590 HB2 LYS 590 49.609 -9.595 -13.938 316 HB3 LYS 590 HB3 LYS 590 50.545 -10.313 -12.633 317 HG2 LYS 590 HG2 LYS 590 48.492 -10.633 -11.311 318 HG3 LYS 590 HG3 LYS 590 47.540 -9.873 -12.590 319 HD2 LYS 590 HD2 LYS 590 48.182 -11.628 -14.164 320 HD3 LYS 590 HD3 LYS 590 49.235 -12.360 -12.957 321 HE2 LYS 590 HE2 LYS 590 47.131 -13.608 -13.058 322 HE3 LYS 590 HE3 LYS 590 47.243 -12.775 -11.510 323 HZ1 LYS 590 HZ1 LYS 590 45.674 -11.937 -13.885 324 HZ2 LYS 590 HZ2 LYS 590 45.891 -10.972 -12.506 325 HZ3 LYS 590 HZ3 LYS 590 45.068 -12.452 -12.389 326 H GLU 591 HN GLU 591 50.491 -7.173 -14.346 327 HA GLU 591 HA GLU 591 53.280 -7.391 -14.329 328 HB2 GLU 591 HB2 GLU 591 51.505 -5.277 -15.564 329 HB3 GLU 591 HB3 GLU 591 53.231 -5.417 -15.888 330 HG2 GLU 591 HG2 GLU 591 52.910 -7.672 -16.789 331 HG3 GLU 591 HG3 GLU 591 51.197 -7.612 -16.389 332 H LYS 592 HN LYS 592 51.202 -4.867 -12.955 333 HA LYS 592 HA LYS 592 53.250 -3.044 -12.268 334 HB2 LYS 592 HB2 LYS 592 50.490 -3.495 -11.149 335 HB3 LYS 592 HB3 LYS 592 51.568 -2.254 -10.515 336 HG2 LYS 592 HG2 LYS 592 51.723 -1.218 -12.741 337 HG3 LYS 592 HG3 LYS 592 50.684 -2.481 -13.411 338 HD2 LYS 592 HD2 LYS 592 48.880 -1.814 -11.903 339 HD3 LYS 592 HD3 LYS 592 49.893 -0.559 -11.203 340 HE2 LYS 592 HE2 LYS 592 48.985 -0.710 -14.094 341 HE3 LYS 592 HE3 LYS 592 48.321 0.366 -12.864 342 HZ1 LYS 592 HZ1 LYS 592 50.847 0.516 -14.293 343 HZ2 LYS 592 HZ2 LYS 592 50.889 0.951 -12.653 344 HZ3 LYS 592 HZ3 LYS 592 49.846 1.759 -13.722 345 H LYS 593 HN LYS 593 51.937 -5.853 -10.595 346 HA LYS 593 HA LYS 593 53.125 -5.441 -8.077 347 HB2 LYS 593 HB2 LYS 593 51.386 -7.247 -9.025 348 HB3 LYS 593 HB3 LYS 593 52.858 -8.199 -9.176 349 HG2 LYS 593 HG2 LYS 593 52.073 -6.808 -6.608 350 HG3 LYS 593 HG3 LYS 593 51.616 -8.473 -6.968 351 HD2 LYS 593 HD2 LYS 593 54.053 -8.998 -7.294 352 HD3 LYS 593 HD3 LYS 593 54.421 -7.362 -6.752 353 HE2 LYS 593 HE2 LYS 593 53.347 -7.796 -4.607 354 HE3 LYS 593 HE3 LYS 593 52.916 -9.424 -5.136 355 HZ1 LYS 593 HZ1 LYS 593 54.996 -10.162 -4.842 356 HZ2 LYS 593 HZ2 LYS 593 55.166 -8.816 -3.820 357 HZ3 LYS 593 HZ3 LYS 593 55.715 -8.741 -5.425 358 H GLU 594 HN GLU 594 54.254 -7.115 -10.952 359 HA GLU 594 HA GLU 594 56.687 -8.077 -9.975 360 HB2 GLU 594 HB2 GLU 594 55.624 -8.772 -12.090 361 HB3 GLU 594 HB3 GLU 594 55.989 -7.196 -12.784 362 HG2 GLU 594 HG2 GLU 594 58.402 -7.614 -12.474 363 HG3 GLU 594 HG3 GLU 594 58.041 -9.183 -11.762 364 H GLU 595 HN GLU 595 55.849 -4.880 -11.368 365 HA GLU 595 HA GLU 595 58.523 -3.968 -11.564 366 HB2 GLU 595 HB2 GLU 595 57.663 -1.980 -12.264 367 HB3 GLU 595 HB3 GLU 595 56.191 -2.920 -12.408 368 HG2 GLU 595 HG2 GLU 595 55.545 -2.100 -10.090 369 HG3 GLU 595 HG3 GLU 595 56.953 -1.054 -10.135 370 H TRP 596 HN TRP 596 56.144 -3.601 -8.957 371 HA TRP 596 HA TRP 596 57.800 -2.124 -7.205 372 HB2 TRP 596 HB2 TRP 596 55.458 -3.947 -6.607 373 HB3 TRP 596 HB3 TRP 596 56.270 -2.949 -5.406 374 HD1 TRP 596 HD1 TRP 596 53.666 -2.807 -8.063 375 HE1 TRP 596 HE1 TRP 596 52.742 -0.410 -8.253 376 HE3 TRP 596 HE3 TRP 596 57.114 -0.319 -5.253 377 HZ2 TRP 596 HZ2 TRP 596 53.389 2.223 -7.342 378 HZ3 TRP 596 HZ3 TRP 596 56.942 2.134 -4.927 379 HH2 TRP 596 HH2 TRP 596 55.084 3.412 -5.968 380 H ASP 597 HN ASP 597 57.313 -5.601 -7.655 381 HA ASP 597 HA ASP 597 58.778 -6.543 -5.444 382 HB2 ASP 597 HB2 ASP 597 57.286 -7.922 -6.895 383 HB3 ASP 597 HB3 ASP 597 58.489 -7.824 -8.173 384 H ARG 598 HN ARG 598 59.761 -5.808 -8.780 385 HA ARG 598 HA ARG 598 62.485 -6.547 -8.499 386 HB2 ARG 598 HB2 ARG 598 61.089 -4.688 -10.426 387 HB3 ARG 598 HB3 ARG 598 62.811 -5.051 -10.520 388 HG2 ARG 598 HG2 ARG 598 62.262 -7.477 -10.699 389 HG3 ARG 598 HG3 ARG 598 60.547 -7.065 -10.695 390 HD2 ARG 598 HD2 ARG 598 62.539 -6.002 -12.719 391 HD3 ARG 598 HD3 ARG 598 61.500 -7.394 -13.007 392 HE ARG 598 HE ARG 598 59.878 -5.240 -12.199 393 HH11 ARG 598 HH11 ARG 598 61.885 -6.155 -14.928 394 HH12 ARG 598 HH12 ARG 598 60.974 -5.210 -16.056 395 HH21 ARG 598 HH21 ARG 598 58.742 -4.020 -13.697 396 HH22 ARG 598 HH22 ARG 598 59.211 -4.012 -15.365 397 H LYS 599 HN LYS 599 60.774 -3.444 -8.060 398 HA LYS 599 HA LYS 599 63.058 -1.820 -7.637 399 HB2 LYS 599 HB2 LYS 599 60.233 -1.536 -6.579 400 HB3 LYS 599 HB3 LYS 599 61.485 -0.324 -6.353 401 HG2 LYS 599 HG2 LYS 599 61.691 -0.050 -8.788 402 HG3 LYS 599 HG3 LYS 599 60.467 -1.292 -9.041 403 HD2 LYS 599 HD2 LYS 599 58.820 0.077 -7.793 404 HD3 LYS 599 HD3 LYS 599 60.044 1.326 -7.563 405 HE2 LYS 599 HE2 LYS 599 60.207 1.632 -10.000 406 HE3 LYS 599 HE3 LYS 599 59.014 0.360 -10.249 407 HZ1 LYS 599 HZ1 LYS 599 58.038 2.591 -10.348 408 HZ2 LYS 599 HZ2 LYS 599 58.528 2.880 -8.748 409 HZ3 LYS 599 HZ3 LYS 599 57.381 1.674 -9.081 410 H ALA 600 HN ALA 600 61.007 -3.673 -5.424 411 HA ALA 600 HA ALA 600 62.214 -2.872 -3.010 412 HB1 ALA 600 HB1 ALA 600 60.719 -5.392 -3.754 413 HB2 ALA 600 HB2 ALA 600 60.064 -3.951 -2.975 414 HB3 ALA 600 HB3 ALA 600 61.198 -4.986 -2.105 415 H GLU 601 HN GLU 601 62.969 -5.493 -5.264 416 HA GLU 601 HA GLU 601 64.908 -6.801 -3.656 417 HB2 GLU 601 HB2 GLU 601 63.791 -7.822 -5.621 418 HB3 GLU 601 HB3 GLU 601 64.684 -6.729 -6.674 419 HG2 GLU 601 HG2 GLU 601 66.812 -7.683 -5.898 420 HG3 GLU 601 HG3 GLU 601 65.952 -8.736 -4.780 421 H ASP 602 HN ASP 602 65.119 -4.184 -6.057 422 HA ASP 602 HA ASP 602 67.942 -4.030 -6.176 423 HB2 ASP 602 HB2 ASP 602 66.335 -2.928 -7.776 424 HB3 ASP 602 HB3 ASP 602 66.016 -1.726 -6.528 425 H ALA 603 HN ALA 603 65.548 -2.451 -4.091 426 HA ALA 603 HA ALA 603 67.341 -0.752 -2.712 427 HB1 ALA 603 HB1 ALA 603 64.871 -0.506 -2.651 428 HB2 ALA 603 HB2 ALA 603 65.584 -0.553 -1.039 429 HB3 ALA 603 HB3 ALA 603 64.771 -1.978 -1.685 430 H ARG 604 HN ARG 604 66.276 -4.093 -2.153 431 HA ARG 604 HA ARG 604 67.511 -4.489 0.360 432 HB2 ARG 604 HB2 ARG 604 66.788 -6.421 -1.851 433 HB3 ARG 604 HB3 ARG 604 67.477 -6.941 -0.315 434 HG2 ARG 604 HG2 ARG 604 65.600 -5.980 0.909 435 HG3 ARG 604 HG3 ARG 604 64.937 -5.303 -0.579 436 HD2 ARG 604 HD2 ARG 604 63.753 -7.381 0.018 437 HD3 ARG 604 HD3 ARG 604 64.638 -7.580 -1.489 438 HE ARG 604 HE ARG 604 66.250 -8.439 0.688 439 HH11 ARG 604 HH11 ARG 604 63.403 -9.409 -1.113 440 HH12 ARG 604 HH12 ARG 604 63.655 -11.099 -0.829 441 HH21 ARG 604 HH21 ARG 604 66.552 -10.666 1.001 442 HH22 ARG 604 HH22 ARG 604 65.414 -11.800 0.351 443 H ARG 605 HN ARG 605 68.678 -4.935 -2.977 444 HA ARG 605 HA ARG 605 71.205 -6.059 -2.337 445 HB2 ARG 605 HB2 ARG 605 70.273 -4.450 -4.728 446 HB3 ARG 605 HB3 ARG 605 71.878 -5.161 -4.611 447 HG2 ARG 605 HG2 ARG 605 70.919 -7.401 -4.427 448 HG3 ARG 605 HG3 ARG 605 69.288 -6.727 -4.426 449 HD2 ARG 605 HD2 ARG 605 69.832 -7.523 -6.679 450 HD3 ARG 605 HD3 ARG 605 69.708 -5.767 -6.684 451 HE ARG 605 HE ARG 605 72.405 -6.569 -6.229 452 HH11 ARG 605 HH11 ARG 605 70.016 -6.296 -8.782 453 HH12 ARG 605 HH12 ARG 605 71.206 -6.138 -10.031 454 HH21 ARG 605 HH21 ARG 605 73.909 -6.383 -7.891 455 HH22 ARG 605 HH22 ARG 605 73.385 -6.187 -9.530 456 H ASP 606 HN ASP 606 70.086 -2.726 -2.770 457 HA ASP 606 HA ASP 606 72.595 -1.446 -2.563 458 HB2 ASP 606 HB2 ASP 606 69.750 -0.581 -2.269 459 HB3 ASP 606 HB3 ASP 606 71.028 0.513 -1.749 460 H TYR 607 HN TYR 607 70.224 -2.418 -0.109 461 HA TYR 607 HA TYR 607 71.343 -1.070 2.110 462 HB2 TYR 607 HB2 TYR 607 69.112 -2.089 2.180 463 HB3 TYR 607 HB3 TYR 607 69.815 -3.689 1.987 464 HD1 TYR 607 HD1 TYR 607 69.877 -0.698 4.265 465 HD2 TYR 607 HD2 TYR 607 70.424 -4.954 3.902 466 HE1 TYR 607 HE1 TYR 607 70.077 -0.886 6.734 467 HE2 TYR 607 HE2 TYR 607 70.627 -5.134 6.370 468 HH TYR 607 HH TYR 607 70.022 -3.940 8.353 469 H GLU 608 HN GLU 608 71.896 -4.308 0.771 470 HA GLU 608 HA GLU 608 73.767 -5.223 2.661 471 HB2 GLU 608 HB2 GLU 608 73.459 -5.855 -0.282 472 HB3 GLU 608 HB3 GLU 608 74.531 -6.730 0.808 473 HG2 GLU 608 HG2 GLU 608 72.627 -7.417 2.185 474 HG3 GLU 608 HG3 GLU 608 71.533 -6.465 1.187 475 H LYS 609 HN LYS 609 74.168 -3.461 -0.407 476 HA LYS 609 HA LYS 609 76.994 -3.395 -0.429 477 HB2 LYS 609 HB2 LYS 609 74.955 -1.538 -1.674 478 HB3 LYS 609 HB3 LYS 609 76.688 -1.411 -1.958 479 HG2 LYS 609 HG2 LYS 609 76.709 -3.733 -2.825 480 HG3 LYS 609 HG3 LYS 609 74.967 -3.834 -2.568 481 HD2 LYS 609 HD2 LYS 609 74.615 -1.967 -4.143 482 HD3 LYS 609 HD3 LYS 609 76.358 -1.844 -4.393 483 HE2 LYS 609 HE2 LYS 609 76.401 -4.147 -5.272 484 HE3 LYS 609 HE3 LYS 609 74.663 -4.283 -5.017 485 HZ1 LYS 609 HZ1 LYS 609 74.458 -2.292 -6.518 486 HZ2 LYS 609 HZ2 LYS 609 74.968 -3.728 -7.269 487 HZ3 LYS 609 HZ3 LYS 609 76.093 -2.506 -6.909 488 H ALA 610 HN ALA 610 74.572 -1.184 0.912 489 HA ALA 610 HA ALA 610 76.340 0.870 1.726 490 HB1 ALA 610 HB1 ALA 610 74.480 1.455 3.336 491 HB2 ALA 610 HB2 ALA 610 73.620 0.037 2.736 492 HB3 ALA 610 HB3 ALA 610 74.002 1.366 1.640 493 H MET 611 HN MET 611 75.206 -2.078 3.282 494 HA MET 611 HA MET 611 76.249 -1.600 5.869 495 HB2 MET 611 HB2 MET 611 75.548 -4.100 4.336 496 HB3 MET 611 HB3 MET 611 76.201 -4.167 5.970 497 HG2 MET 611 HG2 MET 611 73.746 -2.539 5.250 498 HG3 MET 611 HG3 MET 611 73.661 -4.202 5.829 499 HE1 MET 611 HE1 MET 611 73.108 -0.674 7.416 500 HE2 MET 611 HE2 MET 611 74.444 -0.679 6.271 501 HE3 MET 611 HE3 MET 611 74.760 -0.372 7.978 502 H LYS 612 HN LYS 612 77.612 -3.074 2.939 503 HA LYS 612 HA LYS 612 80.025 -4.004 4.082 504 HB2 LYS 612 HB2 LYS 612 79.399 -3.190 1.236 505 HB3 LYS 612 HB3 LYS 612 80.881 -3.998 1.733 506 HG2 LYS 612 HG2 LYS 612 78.109 -5.143 2.193 507 HG3 LYS 612 HG3 LYS 612 79.119 -5.555 0.813 508 HD2 LYS 612 HD2 LYS 612 80.865 -6.407 2.354 509 HD3 LYS 612 HD3 LYS 612 79.830 -6.018 3.730 510 HE2 LYS 612 HE2 LYS 612 78.098 -7.544 2.873 511 HE3 LYS 612 HE3 LYS 612 79.118 -7.934 1.490 512 HZ1 LYS 612 HZ1 LYS 612 80.473 -9.213 2.733 513 HZ2 LYS 612 HZ2 LYS 612 79.099 -9.358 3.719 514 HZ3 LYS 612 HZ3 LYS 612 80.322 -8.251 4.119 515 H GLU 613 HN GLU 613 79.167 -0.898 2.581 516 HA GLU 613 HA GLU 613 81.851 0.163 2.892 517 HB2 GLU 613 HB2 GLU 613 80.389 0.846 1.002 518 HB3 GLU 613 HB3 GLU 613 79.288 1.600 2.152 519 HG2 GLU 613 HG2 GLU 613 81.077 3.127 2.890 520 HG3 GLU 613 HG3 GLU 613 82.209 2.357 1.784 521 H TYR 614 HN TYR 614 78.877 0.113 4.709 522 HA TYR 614 HA TYR 614 79.235 2.337 6.398 523 HB2 TYR 614 HB2 TYR 614 77.131 1.029 6.217 524 HB3 TYR 614 HB3 TYR 614 77.917 -0.325 7.020 525 HD1 TYR 614 HD1 TYR 614 78.161 -0.382 9.407 526 HD2 TYR 614 HD2 TYR 614 76.826 3.216 7.459 527 HE1 TYR 614 HE1 TYR 614 77.536 0.580 11.607 528 HE2 TYR 614 HE2 TYR 614 76.207 4.176 9.662 529 HH TYR 614 HH TYR 614 77.279 3.047 12.533 530 H GLU 615 HN GLU 615 80.234 -1.066 6.731 531 HA GLU 615 HA GLU 615 81.499 -0.811 9.254 532 HB2 GLU 615 HB2 GLU 615 81.984 -2.771 6.999 533 HB3 GLU 615 HB3 GLU 615 82.694 -2.913 8.603 534 HG2 GLU 615 HG2 GLU 615 79.713 -2.860 8.029 535 HG3 GLU 615 HG3 GLU 615 80.652 -4.315 8.339 536 H GLY 616 HN GLY 616 82.677 -0.479 5.923 537 HA2 GLY 616 HA2 GLY 616 85.432 -0.289 6.459 538 HA3 GLY 616 HA3 GLY 616 84.626 0.367 5.040 539 H GLY 617 HN GLY 617 82.902 2.190 6.350 540 HA2 GLY 617 HA2 GLY 617 82.829 4.293 7.318 541 HA3 GLY 617 HA3 GLY 617 84.376 3.940 8.086 Start of MODEL 13 1 H MET 551 HT1 MET 551 59.868 -2.811 1.443 2 HA MET 551 HA MET 551 61.302 -4.231 0.429 3 HB2 MET 551 HB2 MET 551 60.502 -6.236 2.561 4 HB3 MET 551 HB3 MET 551 61.561 -6.626 1.207 5 HG2 MET 551 HG2 MET 551 63.098 -4.788 1.929 6 HG3 MET 551 HG3 MET 551 62.079 -4.534 3.347 7 HE1 MET 551 HE1 MET 551 61.335 -7.542 4.531 8 HE2 MET 551 HE2 MET 551 61.703 -5.942 5.169 9 HE3 MET 551 HE3 MET 551 62.653 -7.330 5.692 10 H SER 552 HN SER 552 58.251 -5.643 1.607 11 HA SER 552 HA SER 552 57.750 -7.249 -0.677 12 HB2 SER 552 HB2 SER 552 56.665 -7.667 1.478 13 HB3 SER 552 HB3 SER 552 55.820 -6.124 1.369 14 HG SER 552 HG SER 552 55.642 -8.175 -0.587 15 H ALA 553 HN ALA 553 56.203 -6.946 -2.343 16 HA ALA 553 HA ALA 553 56.301 -4.435 -3.641 17 HB1 ALA 553 HB1 ALA 553 54.532 -5.414 -5.124 18 HB2 ALA 553 HB2 ALA 553 54.403 -6.781 -4.025 19 HB3 ALA 553 HB3 ALA 553 55.907 -6.493 -4.903 20 H TYR 554 HN TYR 554 53.922 -5.996 -1.592 21 HA TYR 554 HA TYR 554 51.789 -4.178 -1.837 22 HB2 TYR 554 HB2 TYR 554 51.529 -6.416 -0.912 23 HB3 TYR 554 HB3 TYR 554 52.630 -6.034 0.406 24 HD1 TYR 554 HD1 TYR 554 51.917 -4.719 2.310 25 HD2 TYR 554 HD2 TYR 554 49.254 -5.425 -0.998 26 HE1 TYR 554 HE1 TYR 554 50.001 -3.937 3.685 27 HE2 TYR 554 HE2 TYR 554 47.340 -4.637 0.377 28 HH TYR 554 HH TYR 554 47.250 -2.913 2.575 29 H MET 555 HN MET 555 54.527 -4.344 0.452 30 HA MET 555 HA MET 555 53.759 -2.188 2.094 31 HB2 MET 555 HB2 MET 555 56.404 -3.495 1.504 32 HB3 MET 555 HB3 MET 555 56.317 -2.060 2.523 33 HG2 MET 555 HG2 MET 555 54.817 -3.189 4.085 34 HG3 MET 555 HG3 MET 555 54.714 -4.591 3.020 35 HE1 MET 555 HE1 MET 555 57.336 -2.293 4.953 36 HE2 MET 555 HE2 MET 555 58.119 -2.631 3.409 37 HE3 MET 555 HE3 MET 555 58.785 -3.306 4.895 38 H LEU 556 HN LEU 556 55.928 -2.254 -0.757 39 HA LEU 556 HA LEU 556 56.567 0.514 -0.708 40 HB2 LEU 556 HB2 LEU 556 56.548 -1.415 -3.050 41 HB3 LEU 556 HB3 LEU 556 57.277 0.187 -3.068 42 HG LEU 556 HG LEU 556 58.108 -2.102 -1.244 43 HD11 LEU 556 HD11 LEU 556 59.267 -0.931 -3.784 44 HD12 LEU 556 HD12 LEU 556 58.799 -2.604 -3.483 45 HD13 LEU 556 HD13 LEU 556 60.220 -1.928 -2.686 46 HD21 LEU 556 HD21 LEU 556 59.061 0.758 -1.533 47 HD22 LEU 556 HD22 LEU 556 60.157 -0.496 -0.953 48 HD23 LEU 556 HD23 LEU 556 58.686 -0.127 -0.052 49 H TRP 557 HN TRP 557 54.119 -1.349 -2.441 50 HA TRP 557 HA TRP 557 53.001 0.717 -4.008 51 HB2 TRP 557 HB2 TRP 557 52.648 -1.638 -4.472 52 HB3 TRP 557 HB3 TRP 557 51.896 -1.870 -2.907 53 HD1 TRP 557 HD1 TRP 557 51.112 -1.061 -6.462 54 HE1 TRP 557 HE1 TRP 557 48.579 -0.658 -6.711 55 HE3 TRP 557 HE3 TRP 557 49.781 -0.606 -1.552 56 HZ2 TRP 557 HZ2 TRP 557 46.300 -0.216 -5.059 57 HZ3 TRP 557 HZ3 TRP 557 47.438 -0.173 -0.930 58 HH2 TRP 557 HH2 TRP 557 45.680 0.015 -2.674 59 H LEU 558 HN LEU 558 52.197 -0.518 -0.782 60 HA LEU 558 HA LEU 558 49.907 1.072 -0.310 61 HB2 LEU 558 HB2 LEU 558 50.895 -0.997 0.984 62 HB3 LEU 558 HB3 LEU 558 51.740 0.227 1.915 63 HG LEU 558 HG LEU 558 48.728 -0.023 1.571 64 HD11 LEU 558 HD11 LEU 558 49.888 -1.682 3.069 65 HD12 LEU 558 HD12 LEU 558 48.745 -0.650 3.927 66 HD13 LEU 558 HD13 LEU 558 50.477 -0.330 4.031 67 HD21 LEU 558 HD21 LEU 558 50.431 2.075 2.947 68 HD22 LEU 558 HD22 LEU 558 48.778 1.754 3.475 69 HD23 LEU 558 HD23 LEU 558 49.082 2.318 1.835 70 H ASN 559 HN ASN 559 53.366 1.587 0.420 71 HA ASN 559 HA ASN 559 53.062 3.954 1.912 72 HB2 ASN 559 HB2 ASN 559 55.136 2.673 1.896 73 HB3 ASN 559 HB3 ASN 559 55.358 3.012 0.183 74 HD21 ASN 559 HD21 ASN 559 57.025 4.484 0.002 75 HD22 ASN 559 HD22 ASN 559 57.219 5.871 0.968 76 H ALA 560 HN ALA 560 53.662 3.478 -1.559 77 HA ALA 560 HA ALA 560 53.647 6.272 -2.172 78 HB1 ALA 560 HB1 ALA 560 54.828 4.836 -3.657 79 HB2 ALA 560 HB2 ALA 560 53.419 5.410 -4.549 80 HB3 ALA 560 HB3 ALA 560 53.427 3.785 -3.865 81 H SER 561 HN SER 561 51.260 3.688 -2.341 82 HA SER 561 HA SER 561 49.222 5.259 -3.577 83 HB2 SER 561 HB2 SER 561 49.472 2.716 -3.615 84 HB3 SER 561 HB3 SER 561 48.742 2.732 -2.010 85 HG SER 561 HG SER 561 47.502 2.776 -4.285 86 H ARG 562 HN ARG 562 50.145 4.735 -0.242 87 HA ARG 562 HA ARG 562 47.768 5.252 1.100 88 HB2 ARG 562 HB2 ARG 562 49.836 4.502 2.205 89 HB3 ARG 562 HB3 ARG 562 50.565 6.080 1.919 90 HG2 ARG 562 HG2 ARG 562 48.938 7.150 3.375 91 HG3 ARG 562 HG3 ARG 562 48.028 5.643 3.534 92 HD2 ARG 562 HD2 ARG 562 49.427 5.937 5.520 93 HD3 ARG 562 HD3 ARG 562 50.026 4.577 4.576 94 HE ARG 562 HE ARG 562 51.373 6.985 3.831 95 HH11 ARG 562 HH11 ARG 562 51.237 4.593 6.390 96 HH12 ARG 562 HH12 ARG 562 52.880 4.840 6.871 97 HH21 ARG 562 HH21 ARG 562 53.516 7.260 4.485 98 HH22 ARG 562 HH22 ARG 562 54.159 6.337 5.799 99 H GLU 563 HN GLU 563 50.168 7.593 -0.120 100 HA GLU 563 HA GLU 563 48.819 9.895 0.874 101 HB2 GLU 563 HB2 GLU 563 50.832 9.562 -1.353 102 HB3 GLU 563 HB3 GLU 563 50.224 11.126 -0.814 103 HG2 GLU 563 HG2 GLU 563 51.102 10.741 1.438 104 HG3 GLU 563 HG3 GLU 563 51.626 9.120 0.985 105 H LYS 564 HN LYS 564 48.811 8.228 -2.250 106 HA LYS 564 HA LYS 564 47.141 10.063 -3.621 107 HB2 LYS 564 HB2 LYS 564 47.543 7.097 -4.110 108 HB3 LYS 564 HB3 LYS 564 46.778 8.215 -5.234 109 HG2 LYS 564 HG2 LYS 564 49.639 8.491 -4.241 110 HG3 LYS 564 HG3 LYS 564 49.189 7.756 -5.775 111 HD2 LYS 564 HD2 LYS 564 48.161 9.885 -6.503 112 HD3 LYS 564 HD3 LYS 564 48.614 10.632 -4.968 113 HE2 LYS 564 HE2 LYS 564 51.000 10.185 -5.455 114 HE3 LYS 564 HE3 LYS 564 50.547 9.455 -6.995 115 HZ1 LYS 564 HZ1 LYS 564 51.103 11.637 -7.523 116 HZ2 LYS 564 HZ2 LYS 564 50.323 12.280 -6.161 117 HZ3 LYS 564 HZ3 LYS 564 49.410 11.668 -7.455 118 H ILE 565 HN ILE 565 46.421 7.060 -1.876 119 HA ILE 565 HA ILE 565 43.640 7.033 -2.395 120 HB ILE 565 HB ILE 565 45.186 5.737 -0.117 121 HG12 ILE 565 HG12 ILE 565 44.132 4.448 -2.653 122 HG13 ILE 565 HG13 ILE 565 45.749 5.135 -2.577 123 HG21 ILE 565 HG21 ILE 565 43.199 4.257 0.065 124 HG22 ILE 565 HG22 ILE 565 42.398 5.181 -1.206 125 HG23 ILE 565 HG23 ILE 565 42.748 5.941 0.342 126 HD11 ILE 565 HD11 ILE 565 44.743 3.038 -0.619 127 HD12 ILE 565 HD12 ILE 565 46.403 3.598 -0.818 128 HD13 ILE 565 HD13 ILE 565 45.640 2.639 -2.085 129 H LYS 566 HN LYS 566 45.568 8.290 0.323 130 HA LYS 566 HA LYS 566 43.425 9.074 1.965 131 HB2 LYS 566 HB2 LYS 566 45.791 8.933 2.713 132 HB3 LYS 566 HB3 LYS 566 46.157 10.371 1.761 133 HG2 LYS 566 HG2 LYS 566 44.580 11.699 3.101 134 HG3 LYS 566 HG3 LYS 566 44.123 10.263 4.022 135 HD2 LYS 566 HD2 LYS 566 46.442 10.033 4.834 136 HD3 LYS 566 HD3 LYS 566 46.916 11.450 3.899 137 HE2 LYS 566 HE2 LYS 566 46.555 12.115 6.220 138 HE3 LYS 566 HE3 LYS 566 45.291 12.820 5.216 139 HZ1 LYS 566 HZ1 LYS 566 44.728 10.199 6.344 140 HZ2 LYS 566 HZ2 LYS 566 43.709 11.543 6.154 141 HZ3 LYS 566 HZ3 LYS 566 44.803 11.482 7.449 142 H SER 567 HN SER 567 45.155 10.831 -0.598 143 HA SER 567 HA SER 567 43.805 13.299 -0.250 144 HB2 SER 567 HB2 SER 567 45.115 12.143 -2.719 145 HB3 SER 567 HB3 SER 567 44.622 13.825 -2.519 146 HG SER 567 HG SER 567 46.083 14.025 -0.844 147 H ASP 568 HN ASP 568 43.141 10.463 -2.271 148 HA ASP 568 HA ASP 568 40.905 11.602 -3.647 149 HB2 ASP 568 HB2 ASP 568 42.053 8.857 -3.340 150 HB3 ASP 568 HB3 ASP 568 40.433 9.034 -4.007 151 H HIS 569 HN HIS 569 41.286 9.782 -0.653 152 HA HIS 569 HA HIS 569 38.363 9.990 -0.208 153 HB2 HIS 569 HB2 HIS 569 40.207 7.960 1.084 154 HB3 HIS 569 HB3 HIS 569 38.452 8.039 1.216 155 HD2 HIS 569 HD2 HIS 569 41.016 7.523 -1.807 156 HE1 HIS 569 HE1 HIS 569 37.563 5.188 -2.476 157 HE2 HIS 569 HE2 HIS 569 39.858 5.789 -3.384 158 HA PRO 570 HA PRO 570 40.575 12.678 2.888 159 HB2 PRO 570 HB2 PRO 570 38.745 14.706 2.881 160 HB3 PRO 570 HB3 PRO 570 40.080 14.603 1.717 161 HG2 PRO 570 HG2 PRO 570 37.219 13.822 1.386 162 HG3 PRO 570 HG3 PRO 570 38.286 14.694 0.271 163 HD2 PRO 570 HD2 PRO 570 37.756 12.051 -0.026 164 HD3 PRO 570 HD3 PRO 570 39.328 12.754 -0.470 165 H GLY 571 HN GLY 571 40.176 12.693 5.054 166 HA2 GLY 571 HA2 GLY 571 39.015 12.564 7.057 167 HA3 GLY 571 HA3 GLY 571 37.513 12.545 6.148 168 H ILE 572 HN ILE 572 39.733 10.170 5.064 169 HA ILE 572 HA ILE 572 38.087 8.093 6.274 170 HB ILE 572 HB ILE 572 38.600 7.978 3.845 171 HG12 ILE 572 HG12 ILE 572 39.855 5.686 5.377 172 HG13 ILE 572 HG13 ILE 572 38.116 5.983 5.368 173 HG21 ILE 572 HG21 ILE 572 40.802 7.510 3.040 174 HG22 ILE 572 HG22 ILE 572 41.410 7.227 4.669 175 HG23 ILE 572 HG23 ILE 572 40.997 8.860 4.162 176 HD11 ILE 572 HD11 ILE 572 37.917 5.510 3.070 177 HD12 ILE 572 HD12 ILE 572 39.090 4.315 3.620 178 HD13 ILE 572 HD13 ILE 572 39.638 5.760 2.772 179 H SER 573 HN SER 573 38.780 6.577 7.692 180 HA SER 573 HA SER 573 40.946 7.300 9.409 181 HB2 SER 573 HB2 SER 573 40.206 5.577 10.808 182 HB3 SER 573 HB3 SER 573 38.731 6.070 9.978 183 HG SER 573 HG SER 573 39.886 3.687 10.006 184 H ILE 574 HN ILE 574 42.712 5.881 10.005 185 HA ILE 574 HA ILE 574 44.300 5.105 7.791 186 HB ILE 574 HB ILE 574 44.652 4.338 10.700 187 HG12 ILE 574 HG12 ILE 574 44.432 6.785 10.491 188 HG13 ILE 574 HG13 ILE 574 46.089 6.352 10.893 189 HG21 ILE 574 HG21 ILE 574 46.113 3.028 9.297 190 HG22 ILE 574 HG22 ILE 574 47.092 4.280 10.059 191 HG23 ILE 574 HG23 ILE 574 46.596 4.452 8.375 192 HD11 ILE 574 HD11 ILE 574 45.007 7.254 8.202 193 HD12 ILE 574 HD12 ILE 574 46.595 6.508 8.376 194 HD13 ILE 574 HD13 ILE 574 46.248 8.036 9.184 195 H THR 575 HN THR 575 42.462 3.264 10.185 196 HA THR 575 HA THR 575 43.209 0.677 9.396 197 HB THR 575 HB THR 575 40.515 1.493 10.494 198 HG1 THR 575 HG3 THR 575 41.443 1.610 12.429 199 HG21 THR 575 HG21 THR 575 40.797 -0.866 9.745 200 HG22 THR 575 HG22 THR 575 40.553 -0.735 11.487 201 HG23 THR 575 HG23 THR 575 42.170 -1.023 10.843 202 H ASP 576 HN ASP 576 40.535 2.764 8.336 203 HA ASP 576 HA ASP 576 39.330 0.908 6.569 204 HB2 ASP 576 HB2 ASP 576 39.258 3.887 6.870 205 HB3 ASP 576 HB3 ASP 576 38.559 3.153 5.431 206 H LEU 577 HN LEU 577 41.933 3.263 6.167 207 HA LEU 577 HA LEU 577 42.195 3.165 3.362 208 HB2 LEU 577 HB2 LEU 577 44.160 3.750 5.573 209 HB3 LEU 577 HB3 LEU 577 44.658 3.734 3.888 210 HG LEU 577 HG LEU 577 42.447 5.477 5.020 211 HD11 LEU 577 HD11 LEU 577 45.333 6.034 4.289 212 HD12 LEU 577 HD12 LEU 577 44.609 6.170 5.890 213 HD13 LEU 577 HD13 LEU 577 44.150 7.300 4.614 214 HD21 LEU 577 HD21 LEU 577 43.764 5.285 2.288 215 HD22 LEU 577 HD22 LEU 577 42.836 6.695 2.794 216 HD23 LEU 577 HD23 LEU 577 42.047 5.124 2.658 217 H SER 578 HN SER 578 43.606 1.186 5.946 218 HA SER 578 HA SER 578 45.401 -0.315 4.405 219 HB2 SER 578 HB2 SER 578 45.171 -0.230 6.949 220 HB3 SER 578 HB3 SER 578 43.882 -1.419 6.764 221 HG SER 578 HG SER 578 46.618 -1.622 6.076 222 H LYS 579 HN LYS 579 41.973 -0.883 5.165 223 HA LYS 579 HA LYS 579 41.741 -3.397 3.861 224 HB2 LYS 579 HB2 LYS 579 39.667 -1.261 4.423 225 HB3 LYS 579 HB3 LYS 579 39.293 -2.863 3.789 226 HG2 LYS 579 HG2 LYS 579 40.258 -3.913 5.790 227 HG3 LYS 579 HG3 LYS 579 40.691 -2.323 6.430 228 HD2 LYS 579 HD2 LYS 579 38.309 -1.673 6.454 229 HD3 LYS 579 HD3 LYS 579 37.866 -3.258 5.814 230 HE2 LYS 579 HE2 LYS 579 38.858 -4.332 7.817 231 HE3 LYS 579 HE3 LYS 579 39.258 -2.741 8.461 232 HZ1 LYS 579 HZ1 LYS 579 37.041 -3.953 9.111 233 HZ2 LYS 579 HZ2 LYS 579 36.486 -3.253 7.668 234 HZ3 LYS 579 HZ3 LYS 579 37.091 -2.270 8.912 235 H LYS 580 HN LYS 580 41.220 -0.055 2.789 236 HA LYS 580 HA LYS 580 40.273 -0.601 0.181 237 HB2 LYS 580 HB2 LYS 580 41.673 1.779 1.402 238 HB3 LYS 580 HB3 LYS 580 41.204 1.746 -0.299 239 HG2 LYS 580 HG2 LYS 580 38.846 1.248 0.415 240 HG3 LYS 580 HG3 LYS 580 39.361 1.469 2.093 241 HD2 LYS 580 HD2 LYS 580 39.959 3.754 1.710 242 HD3 LYS 580 HD3 LYS 580 39.792 3.573 -0.035 243 HE2 LYS 580 HE2 LYS 580 37.842 4.753 0.986 244 HE3 LYS 580 HE3 LYS 580 37.382 3.258 0.176 245 HZ1 LYS 580 HZ1 LYS 580 36.651 2.401 2.076 246 HZ2 LYS 580 HZ2 LYS 580 36.788 3.951 2.749 247 HZ3 LYS 580 HZ3 LYS 580 38.055 2.831 2.923 248 H ALA 581 HN ALA 581 43.513 -0.101 1.471 249 HA ALA 581 HA ALA 581 44.931 -0.036 -0.936 250 HB1 ALA 581 HB1 ALA 581 45.587 -0.704 1.904 251 HB2 ALA 581 HB2 ALA 581 46.187 0.617 0.903 252 HB3 ALA 581 HB3 ALA 581 46.786 -1.024 0.655 253 H GLY 582 HN GLY 582 44.005 -2.725 1.166 254 HA2 GLY 582 HA2 GLY 582 45.314 -4.766 -0.320 255 HA3 GLY 582 HA3 GLY 582 44.034 -5.004 0.865 256 H GLU 583 HN GLU 583 42.001 -3.459 -0.348 257 HA GLU 583 HA GLU 583 40.925 -5.346 -2.169 258 HB2 GLU 583 HB2 GLU 583 40.067 -2.539 -1.464 259 HB3 GLU 583 HB3 GLU 583 39.155 -3.581 -2.552 260 HG2 GLU 583 HG2 GLU 583 39.856 -4.283 0.320 261 HG3 GLU 583 HG3 GLU 583 38.300 -3.656 -0.204 262 H ILE 584 HN ILE 584 42.458 -2.162 -2.675 263 HA ILE 584 HA ILE 584 41.885 -1.986 -5.440 264 HB ILE 584 HB ILE 584 44.097 -0.728 -3.781 265 HG12 ILE 584 HG12 ILE 584 41.583 0.471 -4.993 266 HG13 ILE 584 HG13 ILE 584 41.634 -0.177 -3.357 267 HG21 ILE 584 HG21 ILE 584 44.801 -0.840 -6.150 268 HG22 ILE 584 HG22 ILE 584 44.375 0.820 -5.733 269 HG23 ILE 584 HG23 ILE 584 43.248 -0.176 -6.657 270 HD11 ILE 584 HD11 ILE 584 43.652 1.894 -4.220 271 HD12 ILE 584 HD12 ILE 584 43.090 1.512 -2.593 272 HD13 ILE 584 HD13 ILE 584 42.038 2.388 -3.705 273 H TRP 585 HN TRP 585 44.681 -3.298 -3.678 274 HA TRP 585 HA TRP 585 46.299 -3.980 -5.847 275 HB2 TRP 585 HB2 TRP 585 46.164 -4.615 -3.018 276 HB3 TRP 585 HB3 TRP 585 46.547 -6.079 -3.917 277 HD1 TRP 585 HD1 TRP 585 48.365 -3.816 -2.121 278 HE1 TRP 585 HE1 TRP 585 50.683 -3.275 -3.140 279 HE3 TRP 585 HE3 TRP 585 47.613 -5.469 -6.841 280 HZ2 TRP 585 HZ2 TRP 585 52.029 -3.509 -5.694 281 HZ3 TRP 585 HZ3 TRP 585 49.386 -5.312 -8.562 282 HH2 TRP 585 HH2 TRP 585 51.586 -4.320 -7.977 283 H LYS 586 HN LYS 586 43.758 -5.824 -4.262 284 HA LYS 586 HA LYS 586 44.022 -8.225 -5.685 285 HB2 LYS 586 HB2 LYS 586 41.582 -6.958 -4.427 286 HB3 LYS 586 HB3 LYS 586 41.601 -8.596 -5.072 287 HG2 LYS 586 HG2 LYS 586 43.515 -7.633 -2.920 288 HG3 LYS 586 HG3 LYS 586 41.996 -8.450 -2.571 289 HD2 LYS 586 HD2 LYS 586 42.770 -10.414 -3.885 290 HD3 LYS 586 HD3 LYS 586 44.308 -9.600 -4.176 291 HE2 LYS 586 HE2 LYS 586 44.720 -9.494 -1.738 292 HE3 LYS 586 HE3 LYS 586 43.190 -10.319 -1.447 293 HZ1 LYS 586 HZ1 LYS 586 45.390 -11.459 -3.077 294 HZ2 LYS 586 HZ2 LYS 586 43.982 -12.249 -2.559 295 HZ3 LYS 586 HZ3 LYS 586 45.167 -11.796 -1.432 296 H GLY 587 HN GLY 587 42.235 -5.270 -6.512 297 HA2 GLY 587 HA2 GLY 587 41.054 -6.476 -8.886 298 HA3 GLY 587 HA3 GLY 587 40.889 -4.801 -8.375 299 H MET 588 HN MET 588 43.889 -4.620 -8.083 300 HA MET 588 HA MET 588 44.460 -3.671 -10.726 301 HB2 MET 588 HB2 MET 588 45.194 -2.568 -8.591 302 HB3 MET 588 HB3 MET 588 46.367 -3.872 -8.395 303 HG2 MET 588 HG2 MET 588 47.500 -3.284 -10.417 304 HG3 MET 588 HG3 MET 588 46.204 -2.189 -10.909 305 HE1 MET 588 HE1 MET 588 48.981 -2.376 -7.624 306 HE2 MET 588 HE2 MET 588 49.929 -1.428 -8.767 307 HE3 MET 588 HE3 MET 588 49.224 -2.958 -9.275 308 H SER 589 HN SER 589 46.251 -4.269 -12.021 309 HA SER 589 HA SER 589 46.401 -7.011 -12.583 310 HB2 SER 589 HB2 SER 589 47.788 -6.399 -14.361 311 HB3 SER 589 HB3 SER 589 46.868 -4.927 -14.061 312 HG SER 589 HG SER 589 49.517 -5.561 -13.305 313 H LYS 590 HN LYS 590 47.898 -8.560 -12.301 314 HA LYS 590 HA LYS 590 49.429 -8.644 -9.913 315 HB2 LYS 590 HB2 LYS 590 48.380 -10.605 -11.025 316 HB3 LYS 590 HB3 LYS 590 49.545 -10.457 -12.337 317 HG2 LYS 590 HG2 LYS 590 51.401 -10.831 -10.721 318 HG3 LYS 590 HG3 LYS 590 50.214 -11.011 -9.423 319 HD2 LYS 590 HD2 LYS 590 49.175 -12.904 -10.638 320 HD3 LYS 590 HD3 LYS 590 50.388 -12.746 -11.908 321 HE2 LYS 590 HE2 LYS 590 51.069 -13.281 -9.000 322 HE3 LYS 590 HE3 LYS 590 50.893 -14.552 -10.208 323 HZ1 LYS 590 HZ1 LYS 590 52.575 -12.814 -11.411 324 HZ2 LYS 590 HZ2 LYS 590 53.050 -14.209 -10.571 325 HZ3 LYS 590 HZ3 LYS 590 53.058 -12.702 -9.790 326 H GLU 591 HN GLU 591 50.256 -8.062 -13.292 327 HA GLU 591 HA GLU 591 53.038 -8.313 -13.215 328 HB2 GLU 591 HB2 GLU 591 51.324 -6.414 -14.837 329 HB3 GLU 591 HB3 GLU 591 53.036 -6.699 -15.131 330 HG2 GLU 591 HG2 GLU 591 50.907 -8.863 -15.196 331 HG3 GLU 591 HG3 GLU 591 51.540 -8.050 -16.621 332 H LYS 592 HN LYS 592 50.982 -5.596 -12.247 333 HA LYS 592 HA LYS 592 53.027 -3.657 -11.962 334 HB2 LYS 592 HB2 LYS 592 50.279 -3.969 -10.783 335 HB3 LYS 592 HB3 LYS 592 51.347 -2.688 -10.212 336 HG2 LYS 592 HG2 LYS 592 51.566 -1.818 -12.503 337 HG3 LYS 592 HG3 LYS 592 50.530 -3.118 -13.107 338 HD2 LYS 592 HD2 LYS 592 48.676 -2.322 -11.773 339 HD3 LYS 592 HD3 LYS 592 49.678 -1.087 -11.023 340 HE2 LYS 592 HE2 LYS 592 49.999 -0.044 -13.255 341 HE3 LYS 592 HE3 LYS 592 48.938 -1.265 -13.958 342 HZ1 LYS 592 HZ1 LYS 592 47.987 1.025 -13.215 343 HZ2 LYS 592 HZ2 LYS 592 47.980 0.316 -11.674 344 HZ3 LYS 592 HZ3 LYS 592 47.096 -0.391 -12.939 345 H LYS 593 HN LYS 593 51.852 -6.184 -9.793 346 HA LYS 593 HA LYS 593 53.199 -5.307 -7.448 347 HB2 LYS 593 HB2 LYS 593 51.371 -6.979 -7.504 348 HB3 LYS 593 HB3 LYS 593 52.471 -8.113 -8.284 349 HG2 LYS 593 HG2 LYS 593 53.964 -8.034 -6.330 350 HG3 LYS 593 HG3 LYS 593 52.875 -6.874 -5.549 351 HD2 LYS 593 HD2 LYS 593 51.044 -8.478 -5.655 352 HD3 LYS 593 HD3 LYS 593 52.098 -9.643 -6.462 353 HE2 LYS 593 HE2 LYS 593 53.548 -9.703 -4.479 354 HE3 LYS 593 HE3 LYS 593 52.509 -8.524 -3.676 355 HZ1 LYS 593 HZ1 LYS 593 52.091 -10.934 -3.129 356 HZ2 LYS 593 HZ2 LYS 593 51.488 -11.104 -4.707 357 HZ3 LYS 593 HZ3 LYS 593 50.734 -10.042 -3.619 358 H GLU 594 HN GLU 594 54.087 -7.439 -10.095 359 HA GLU 594 HA GLU 594 56.524 -8.380 -9.133 360 HB2 GLU 594 HB2 GLU 594 55.624 -7.802 -11.959 361 HB3 GLU 594 HB3 GLU 594 57.115 -8.651 -11.559 362 HG2 GLU 594 HG2 GLU 594 55.845 -10.406 -10.401 363 HG3 GLU 594 HG3 GLU 594 54.339 -9.542 -10.707 364 H GLU 595 HN GLU 595 55.793 -5.361 -10.966 365 HA GLU 595 HA GLU 595 58.515 -4.613 -11.236 366 HB2 GLU 595 HB2 GLU 595 57.771 -2.373 -11.781 367 HB3 GLU 595 HB3 GLU 595 56.776 -3.555 -12.612 368 HG2 GLU 595 HG2 GLU 595 54.902 -3.035 -11.397 369 HG3 GLU 595 HG3 GLU 595 55.791 -2.482 -9.988 370 H TRP 596 HN TRP 596 56.151 -3.971 -8.716 371 HA TRP 596 HA TRP 596 57.653 -2.147 -7.178 372 HB2 TRP 596 HB2 TRP 596 55.518 -4.134 -6.404 373 HB3 TRP 596 HB3 TRP 596 56.275 -3.059 -5.233 374 HD1 TRP 596 HD1 TRP 596 53.501 -3.202 -7.655 375 HE1 TRP 596 HE1 TRP 596 52.457 -0.866 -7.963 376 HE3 TRP 596 HE3 TRP 596 57.062 -0.342 -5.397 377 HZ2 TRP 596 HZ2 TRP 596 53.047 1.852 -7.326 378 HZ3 TRP 596 HZ3 TRP 596 56.802 2.120 -5.248 379 HH2 TRP 596 HH2 TRP 596 54.793 3.227 -6.211 380 H ASP 597 HN ASP 597 57.540 -5.701 -7.165 381 HA ASP 597 HA ASP 597 59.214 -6.146 -4.929 382 HB2 ASP 597 HB2 ASP 597 58.432 -7.751 -7.339 383 HB3 ASP 597 HB3 ASP 597 59.728 -8.340 -6.303 384 H ARG 598 HN ARG 598 59.893 -5.667 -8.367 385 HA ARG 598 HA ARG 598 62.656 -6.225 -8.351 386 HB2 ARG 598 HB2 ARG 598 61.266 -6.063 -10.394 387 HB3 ARG 598 HB3 ARG 598 61.108 -4.327 -10.139 388 HG2 ARG 598 HG2 ARG 598 63.566 -4.075 -10.327 389 HG3 ARG 598 HG3 ARG 598 63.718 -5.814 -10.594 390 HD2 ARG 598 HD2 ARG 598 62.222 -5.578 -12.597 391 HD3 ARG 598 HD3 ARG 598 62.266 -3.831 -12.372 392 HE ARG 598 HE ARG 598 64.917 -4.782 -12.460 393 HH11 ARG 598 HH11 ARG 598 62.174 -4.396 -14.604 394 HH12 ARG 598 HH12 ARG 598 63.160 -4.245 -16.020 395 HH21 ARG 598 HH21 ARG 598 66.150 -4.599 -14.311 396 HH22 ARG 598 HH22 ARG 598 65.398 -4.360 -15.852 397 H LYS 599 HN LYS 599 60.874 -3.168 -7.846 398 HA LYS 599 HA LYS 599 63.111 -1.446 -7.639 399 HB2 LYS 599 HB2 LYS 599 60.736 -0.691 -7.883 400 HB3 LYS 599 HB3 LYS 599 60.443 -1.192 -6.221 401 HG2 LYS 599 HG2 LYS 599 62.085 0.435 -5.393 402 HG3 LYS 599 HG3 LYS 599 62.496 0.900 -7.049 403 HD2 LYS 599 HD2 LYS 599 60.167 1.641 -7.424 404 HD3 LYS 599 HD3 LYS 599 59.752 1.178 -5.777 405 HE2 LYS 599 HE2 LYS 599 60.121 3.497 -5.605 406 HE3 LYS 599 HE3 LYS 599 61.651 2.809 -5.068 407 HZ1 LYS 599 HZ1 LYS 599 61.006 4.042 -7.679 408 HZ2 LYS 599 HZ2 LYS 599 62.364 3.042 -7.480 409 HZ3 LYS 599 HZ3 LYS 599 62.222 4.475 -6.580 410 H ALA 600 HN ALA 600 61.365 -3.383 -5.255 411 HA ALA 600 HA ALA 600 62.701 -2.479 -2.948 412 HB1 ALA 600 HB1 ALA 600 61.718 -5.299 -3.222 413 HB2 ALA 600 HB2 ALA 600 60.570 -3.960 -3.214 414 HB3 ALA 600 HB3 ALA 600 61.634 -4.220 -1.831 415 H GLU 601 HN GLU 601 63.471 -5.046 -5.276 416 HA GLU 601 HA GLU 601 65.613 -6.205 -3.822 417 HB2 GLU 601 HB2 GLU 601 65.032 -6.130 -6.785 418 HB3 GLU 601 HB3 GLU 601 66.352 -7.054 -6.070 419 HG2 GLU 601 HG2 GLU 601 64.756 -8.340 -4.714 420 HG3 GLU 601 HG3 GLU 601 63.419 -7.389 -5.358 421 H ASP 602 HN ASP 602 65.475 -3.563 -6.212 422 HA ASP 602 HA ASP 602 68.275 -3.206 -6.466 423 HB2 ASP 602 HB2 ASP 602 65.885 -1.496 -7.038 424 HB3 ASP 602 HB3 ASP 602 67.486 -0.765 -7.059 425 H ALA 603 HN ALA 603 65.864 -1.801 -4.290 426 HA ALA 603 HA ALA 603 67.592 0.048 -3.021 427 HB1 ALA 603 HB1 ALA 603 65.884 0.233 -1.331 428 HB2 ALA 603 HB2 ALA 603 65.181 -1.314 -1.804 429 HB3 ALA 603 HB3 ALA 603 65.083 0.070 -2.894 430 H ARG 604 HN ARG 604 66.780 -3.336 -2.376 431 HA ARG 604 HA ARG 604 68.127 -3.619 0.095 432 HB2 ARG 604 HB2 ARG 604 66.477 -5.245 -0.770 433 HB3 ARG 604 HB3 ARG 604 67.606 -5.708 -2.041 434 HG2 ARG 604 HG2 ARG 604 69.236 -6.444 -0.306 435 HG3 ARG 604 HG3 ARG 604 68.073 -6.012 0.952 436 HD2 ARG 604 HD2 ARG 604 66.435 -7.602 -0.113 437 HD3 ARG 604 HD3 ARG 604 67.714 -8.119 -1.204 438 HE ARG 604 HE ARG 604 67.473 -8.762 1.635 439 HH11 ARG 604 HH11 ARG 604 69.532 -8.779 -1.199 440 HH12 ARG 604 HH12 ARG 604 70.608 -9.967 -0.550 441 HH21 ARG 604 HH21 ARG 604 68.907 -10.291 2.443 442 HH22 ARG 604 HH22 ARG 604 70.258 -10.817 1.495 443 H ARG 605 HN ARG 605 69.185 -4.068 -3.279 444 HA ARG 605 HA ARG 605 71.796 -5.024 -2.724 445 HB2 ARG 605 HB2 ARG 605 70.679 -3.495 -5.088 446 HB3 ARG 605 HB3 ARG 605 72.331 -4.108 -5.030 447 HG2 ARG 605 HG2 ARG 605 71.479 -6.412 -4.750 448 HG3 ARG 605 HG3 ARG 605 69.820 -5.806 -4.791 449 HD2 ARG 605 HD2 ARG 605 70.233 -4.881 -7.062 450 HD3 ARG 605 HD3 ARG 605 71.860 -5.551 -7.026 451 HE ARG 605 HE ARG 605 69.374 -7.025 -7.427 452 HH11 ARG 605 HH11 ARG 605 72.784 -7.241 -6.637 453 HH12 ARG 605 HH12 ARG 605 72.904 -8.901 -7.115 454 HH21 ARG 605 HH21 ARG 605 69.586 -9.161 -8.060 455 HH22 ARG 605 HH22 ARG 605 71.104 -9.978 -7.916 456 H ASP 606 HN ASP 606 70.467 -1.764 -3.159 457 HA ASP 606 HA ASP 606 72.917 -0.351 -3.018 458 HB2 ASP 606 HB2 ASP 606 70.031 0.373 -2.710 459 HB3 ASP 606 HB3 ASP 606 71.258 1.540 -2.226 460 H TYR 607 HN TYR 607 70.629 -1.424 -0.528 461 HA TYR 607 HA TYR 607 71.689 0.029 1.656 462 HB2 TYR 607 HB2 TYR 607 69.512 -1.078 1.791 463 HB3 TYR 607 HB3 TYR 607 70.267 -2.654 1.582 464 HD1 TYR 607 HD1 TYR 607 71.175 -3.846 3.443 465 HD2 TYR 607 HD2 TYR 607 70.068 0.292 3.891 466 HE1 TYR 607 HE1 TYR 607 71.462 -4.034 5.907 467 HE2 TYR 607 HE2 TYR 607 70.359 0.101 6.353 468 HH TYR 607 HH TYR 607 70.436 -2.717 7.980 469 H GLU 608 HN GLU 608 72.383 -3.209 0.413 470 HA GLU 608 HA GLU 608 74.341 -3.941 2.312 471 HB2 GLU 608 HB2 GLU 608 73.152 -5.512 0.819 472 HB3 GLU 608 HB3 GLU 608 73.999 -4.829 -0.565 473 HG2 GLU 608 HG2 GLU 608 76.164 -5.534 0.411 474 HG3 GLU 608 HG3 GLU 608 75.314 -6.221 1.796 475 H LYS 609 HN LYS 609 74.542 -2.365 -0.856 476 HA LYS 609 HA LYS 609 77.357 -2.258 -1.064 477 HB2 LYS 609 HB2 LYS 609 75.778 -1.889 -2.954 478 HB3 LYS 609 HB3 LYS 609 75.317 -0.346 -2.236 479 HG2 LYS 609 HG2 LYS 609 77.629 0.467 -2.434 480 HG3 LYS 609 HG3 LYS 609 78.136 -1.090 -3.093 481 HD2 LYS 609 HD2 LYS 609 76.605 -0.774 -5.014 482 HD3 LYS 609 HD3 LYS 609 76.119 0.794 -4.366 483 HE2 LYS 609 HE2 LYS 609 78.469 1.571 -4.511 484 HE3 LYS 609 HE3 LYS 609 78.934 0.014 -5.194 485 HZ1 LYS 609 HZ1 LYS 609 76.846 1.711 -6.428 486 HZ2 LYS 609 HZ2 LYS 609 77.699 0.418 -7.123 487 HZ3 LYS 609 HZ3 LYS 609 78.489 1.887 -6.810 488 H ALA 610 HN ALA 610 74.982 -0.000 0.304 489 HA ALA 610 HA ALA 610 76.768 2.111 0.891 490 HB1 ALA 610 HB1 ALA 610 74.239 2.218 0.897 491 HB2 ALA 610 HB2 ALA 610 75.031 2.997 2.267 492 HB3 ALA 610 HB3 ALA 610 74.291 1.410 2.463 493 H MET 611 HN MET 611 75.766 -0.743 2.700 494 HA MET 611 HA MET 611 76.951 -0.101 5.179 495 HB2 MET 611 HB2 MET 611 76.225 -2.693 3.821 496 HB3 MET 611 HB3 MET 611 76.999 -2.675 5.405 497 HG2 MET 611 HG2 MET 611 74.414 -1.205 4.758 498 HG3 MET 611 HG3 MET 611 74.490 -2.786 5.538 499 HE1 MET 611 HE1 MET 611 73.762 0.615 7.901 500 HE2 MET 611 HE2 MET 611 72.908 -0.532 6.876 501 HE3 MET 611 HE3 MET 611 73.884 0.734 6.141 502 H LYS 612 HN LYS 612 78.183 -1.712 2.257 503 HA LYS 612 HA LYS 612 80.693 -2.502 3.299 504 HB2 LYS 612 HB2 LYS 612 79.814 -1.932 0.462 505 HB3 LYS 612 HB3 LYS 612 81.397 -2.582 0.882 506 HG2 LYS 612 HG2 LYS 612 80.315 -4.520 1.981 507 HG3 LYS 612 HG3 LYS 612 78.730 -3.877 1.545 508 HD2 LYS 612 HD2 LYS 612 79.314 -4.024 -0.849 509 HD3 LYS 612 HD3 LYS 612 80.909 -4.651 -0.426 510 HE2 LYS 612 HE2 LYS 612 79.867 -6.604 0.660 511 HE3 LYS 612 HE3 LYS 612 78.267 -5.979 0.263 512 HZ1 LYS 612 HZ1 LYS 612 80.238 -6.375 -1.883 513 HZ2 LYS 612 HZ2 LYS 612 78.543 -6.417 -1.957 514 HZ3 LYS 612 HZ3 LYS 612 79.398 -7.714 -1.272 515 H GLU 613 HN GLU 613 79.617 0.493 1.693 516 HA GLU 613 HA GLU 613 82.167 1.690 1.391 517 HB2 GLU 613 HB2 GLU 613 80.109 2.484 0.247 518 HB3 GLU 613 HB3 GLU 613 79.496 3.062 1.795 519 HG2 GLU 613 HG2 GLU 613 81.403 4.610 2.002 520 HG3 GLU 613 HG3 GLU 613 82.076 4.005 0.490 521 H TYR 614 HN TYR 614 79.760 1.857 4.011 522 HA TYR 614 HA TYR 614 81.154 3.696 5.651 523 HB2 TYR 614 HB2 TYR 614 79.204 1.497 6.389 524 HB3 TYR 614 HB3 TYR 614 79.827 2.684 7.530 525 HD1 TYR 614 HD1 TYR 614 77.111 1.961 5.485 526 HD2 TYR 614 HD2 TYR 614 79.679 5.250 6.539 527 HE1 TYR 614 HE1 TYR 614 75.325 3.560 4.835 528 HE2 TYR 614 HE2 TYR 614 77.889 6.852 5.878 529 HH TYR 614 HH TYR 614 75.442 6.870 5.634 530 H GLU 615 HN GLU 615 81.243 0.170 5.372 531 HA GLU 615 HA GLU 615 82.741 -1.420 6.101 532 HB2 GLU 615 HB2 GLU 615 84.577 0.953 6.545 533 HB3 GLU 615 HB3 GLU 615 85.064 -0.739 6.500 534 HG2 GLU 615 HG2 GLU 615 84.285 -0.902 4.156 535 HG3 GLU 615 HG3 GLU 615 83.821 0.800 4.201 536 H GLY 616 HN GLY 616 80.865 -0.163 7.962 537 HA2 GLY 616 HA2 GLY 616 82.026 0.426 10.462 538 HA3 GLY 616 HA3 GLY 616 80.369 -0.108 10.207 539 H GLY 617 HN GLY 617 80.947 -2.628 9.022 540 HA2 GLY 617 HA2 GLY 617 81.409 -4.176 11.405 541 HA3 GLY 617 HA3 GLY 617 81.050 -4.811 9.802 Start of MODEL 14 1 H MET 551 HT1 MET 551 54.313 -9.647 -0.075 2 HA MET 551 HA MET 551 53.688 -7.691 1.304 3 HB2 MET 551 HB2 MET 551 54.942 -9.655 2.198 4 HB3 MET 551 HB3 MET 551 56.453 -8.851 1.785 5 HG2 MET 551 HG2 MET 551 55.942 -7.022 3.315 6 HG3 MET 551 HG3 MET 551 54.362 -7.714 3.662 7 HE1 MET 551 HE1 MET 551 58.190 -7.870 4.187 8 HE2 MET 551 HE2 MET 551 57.935 -9.310 3.202 9 HE3 MET 551 HE3 MET 551 58.449 -9.478 4.879 10 H SER 552 HN SER 552 57.046 -7.553 0.086 11 HA SER 552 HA SER 552 57.559 -4.898 0.874 12 HB2 SER 552 HB2 SER 552 59.336 -6.492 0.284 13 HB3 SER 552 HB3 SER 552 58.800 -6.472 -1.393 14 HG SER 552 HG SER 552 60.360 -4.720 -0.051 15 H ALA 553 HN ALA 553 56.374 -6.241 -2.201 16 HA ALA 553 HA ALA 553 56.328 -3.828 -3.669 17 HB1 ALA 553 HB1 ALA 553 56.042 -6.084 -4.683 18 HB2 ALA 553 HB2 ALA 553 54.742 -4.984 -5.146 19 HB3 ALA 553 HB3 ALA 553 54.457 -6.213 -3.915 20 H TYR 554 HN TYR 554 54.024 -5.370 -1.519 21 HA TYR 554 HA TYR 554 51.840 -3.608 -1.889 22 HB2 TYR 554 HB2 TYR 554 51.597 -5.839 -0.941 23 HB3 TYR 554 HB3 TYR 554 52.634 -5.411 0.410 24 HD1 TYR 554 HD1 TYR 554 51.764 -4.280 2.323 25 HD2 TYR 554 HD2 TYR 554 49.351 -4.706 -1.200 26 HE1 TYR 554 HE1 TYR 554 49.780 -3.513 3.592 27 HE2 TYR 554 HE2 TYR 554 47.365 -3.930 0.064 28 HH TYR 554 HH TYR 554 47.556 -2.421 3.051 29 H MET 555 HN MET 555 54.529 -3.685 0.459 30 HA MET 555 HA MET 555 53.695 -1.512 2.061 31 HB2 MET 555 HB2 MET 555 55.422 -3.137 2.747 32 HB3 MET 555 HB3 MET 555 56.508 -2.508 1.514 33 HG2 MET 555 HG2 MET 555 56.613 -0.357 2.619 34 HG3 MET 555 HG3 MET 555 55.347 -0.825 3.750 35 HE1 MET 555 HE1 MET 555 59.119 -1.072 2.775 36 HE2 MET 555 HE2 MET 555 58.501 -2.647 2.278 37 HE3 MET 555 HE3 MET 555 59.640 -2.537 3.617 38 H LEU 556 HN LEU 556 55.944 -1.581 -0.735 39 HA LEU 556 HA LEU 556 56.507 1.207 -0.733 40 HB2 LEU 556 HB2 LEU 556 56.636 -0.855 -2.944 41 HB3 LEU 556 HB3 LEU 556 57.180 0.807 -3.133 42 HG LEU 556 HG LEU 556 58.242 -1.063 -0.994 43 HD11 LEU 556 HD11 LEU 556 58.704 -1.858 -3.333 44 HD12 LEU 556 HD12 LEU 556 60.163 -1.411 -2.448 45 HD13 LEU 556 HD13 LEU 556 59.492 -0.312 -3.652 46 HD21 LEU 556 HD21 LEU 556 59.139 1.629 -2.088 47 HD22 LEU 556 HD22 LEU 556 60.138 0.622 -1.039 48 HD23 LEU 556 HD23 LEU 556 58.613 1.275 -0.441 49 H TRP 557 HN TRP 557 54.138 -0.760 -2.453 50 HA TRP 557 HA TRP 557 52.985 1.235 -4.093 51 HB2 TRP 557 HB2 TRP 557 52.730 -1.132 -4.526 52 HB3 TRP 557 HB3 TRP 557 51.959 -1.375 -2.973 53 HD1 TRP 557 HD1 TRP 557 51.229 -0.640 -6.546 54 HE1 TRP 557 HE1 TRP 557 48.690 -0.320 -6.872 55 HE3 TRP 557 HE3 TRP 557 49.750 -0.179 -1.668 56 HZ2 TRP 557 HZ2 TRP 557 46.338 0.062 -5.263 57 HZ3 TRP 557 HZ3 TRP 557 47.376 0.182 -1.120 58 HH2 TRP 557 HH2 TRP 557 45.666 0.296 -2.897 59 H LEU 558 HN LEU 558 52.153 0.037 -0.865 60 HA LEU 558 HA LEU 558 49.770 1.503 -0.476 61 HB2 LEU 558 HB2 LEU 558 50.853 -0.453 0.914 62 HB3 LEU 558 HB3 LEU 558 51.613 0.851 1.804 63 HG LEU 558 HG LEU 558 48.627 0.408 1.430 64 HD11 LEU 558 HD11 LEU 558 50.362 0.281 3.911 65 HD12 LEU 558 HD12 LEU 558 49.841 -1.130 2.990 66 HD13 LEU 558 HD13 LEU 558 48.648 -0.117 3.804 67 HD21 LEU 558 HD21 LEU 558 48.537 2.246 3.266 68 HD22 LEU 558 HD22 LEU 558 48.838 2.772 1.615 69 HD23 LEU 558 HD23 LEU 558 50.179 2.651 2.760 70 H ASN 559 HN ASN 559 53.182 2.265 0.276 71 HA ASN 559 HA ASN 559 52.714 4.646 1.705 72 HB2 ASN 559 HB2 ASN 559 55.034 3.644 0.078 73 HB3 ASN 559 HB3 ASN 559 55.065 5.248 0.801 74 HD21 ASN 559 HD21 ASN 559 56.867 3.118 1.574 75 HD22 ASN 559 HD22 ASN 559 56.534 2.724 3.188 76 H ALA 560 HN ALA 560 53.326 4.140 -1.761 77 HA ALA 560 HA ALA 560 53.120 6.913 -2.437 78 HB1 ALA 560 HB1 ALA 560 53.298 4.344 -3.954 79 HB2 ALA 560 HB2 ALA 560 54.339 5.766 -4.022 80 HB3 ALA 560 HB3 ALA 560 52.759 5.793 -4.803 81 H SER 561 HN SER 561 50.915 4.173 -2.491 82 HA SER 561 HA SER 561 48.761 5.559 -3.759 83 HB2 SER 561 HB2 SER 561 48.949 2.920 -2.334 84 HB3 SER 561 HB3 SER 561 47.436 3.538 -2.984 85 HG SER 561 HG SER 561 48.155 2.652 -4.759 86 H ARG 562 HN ARG 562 49.779 5.234 -0.444 87 HA ARG 562 HA ARG 562 47.369 5.608 0.914 88 HB2 ARG 562 HB2 ARG 562 49.502 5.019 2.014 89 HB3 ARG 562 HB3 ARG 562 50.106 6.639 1.707 90 HG2 ARG 562 HG2 ARG 562 48.235 7.550 3.077 91 HG3 ARG 562 HG3 ARG 562 47.722 5.902 3.432 92 HD2 ARG 562 HD2 ARG 562 50.474 7.009 4.061 93 HD3 ARG 562 HD3 ARG 562 49.161 6.913 5.227 94 HE ARG 562 HE ARG 562 50.825 4.741 4.320 95 HH11 ARG 562 HH11 ARG 562 47.666 5.538 5.606 96 HH12 ARG 562 HH12 ARG 562 47.410 3.955 6.264 97 HH21 ARG 562 HH21 ARG 562 50.451 2.697 5.200 98 HH22 ARG 562 HH22 ARG 562 48.969 2.367 6.036 99 H GLU 563 HN GLU 563 49.618 8.084 -0.358 100 HA GLU 563 HA GLU 563 48.145 10.318 0.614 101 HB2 GLU 563 HB2 GLU 563 50.088 10.099 -1.695 102 HB3 GLU 563 HB3 GLU 563 49.451 11.615 -1.071 103 HG2 GLU 563 HG2 GLU 563 50.981 9.610 0.609 104 HG3 GLU 563 HG3 GLU 563 51.726 10.997 -0.172 105 H LYS 564 HN LYS 564 48.181 8.607 -2.494 106 HA LYS 564 HA LYS 564 46.348 10.314 -3.838 107 HB2 LYS 564 HB2 LYS 564 47.049 7.400 -4.307 108 HB3 LYS 564 HB3 LYS 564 46.042 8.356 -5.387 109 HG2 LYS 564 HG2 LYS 564 47.928 9.952 -5.693 110 HG3 LYS 564 HG3 LYS 564 48.931 8.937 -4.660 111 HD2 LYS 564 HD2 LYS 564 47.592 7.904 -7.180 112 HD3 LYS 564 HD3 LYS 564 49.226 8.563 -7.169 113 HE2 LYS 564 HE2 LYS 564 49.798 6.861 -5.381 114 HE3 LYS 564 HE3 LYS 564 48.215 6.141 -5.659 115 HZ1 LYS 564 HZ1 LYS 564 48.789 5.670 -7.903 116 HZ2 LYS 564 HZ2 LYS 564 50.047 5.086 -6.922 117 HZ3 LYS 564 HZ3 LYS 564 50.244 6.537 -7.788 118 H ILE 565 HN ILE 565 45.911 7.283 -2.043 119 HA ILE 565 HA ILE 565 43.125 7.037 -2.493 120 HB ILE 565 HB ILE 565 44.889 5.870 -0.306 121 HG12 ILE 565 HG12 ILE 565 43.641 4.509 -2.713 122 HG13 ILE 565 HG13 ILE 565 45.245 5.224 -2.772 123 HG21 ILE 565 HG21 ILE 565 42.032 5.153 -1.085 124 HG22 ILE 565 HG22 ILE 565 42.501 5.963 0.408 125 HG23 ILE 565 HG23 ILE 565 43.013 4.303 0.110 126 HD11 ILE 565 HD11 ILE 565 45.822 3.775 -0.738 127 HD12 ILE 565 HD12 ILE 565 45.578 2.902 -2.251 128 HD13 ILE 565 HD13 ILE 565 44.304 2.928 -1.034 129 H LYS 566 HN LYS 566 45.013 8.453 0.173 130 HA LYS 566 HA LYS 566 42.829 9.119 1.833 131 HB2 LYS 566 HB2 LYS 566 45.227 9.094 2.550 132 HB3 LYS 566 HB3 LYS 566 45.481 10.574 1.632 133 HG2 LYS 566 HG2 LYS 566 43.816 11.740 3.015 134 HG3 LYS 566 HG3 LYS 566 43.488 10.251 3.901 135 HD2 LYS 566 HD2 LYS 566 45.837 10.201 4.672 136 HD3 LYS 566 HD3 LYS 566 46.152 11.699 3.804 137 HE2 LYS 566 HE2 LYS 566 44.478 12.864 5.191 138 HE3 LYS 566 HE3 LYS 566 44.141 11.363 6.051 139 HZ1 LYS 566 HZ1 LYS 566 45.890 13.135 6.917 140 HZ2 LYS 566 HZ2 LYS 566 46.928 12.223 5.927 141 HZ3 LYS 566 HZ3 LYS 566 46.075 11.471 7.192 142 H SER 567 HN SER 567 44.439 10.900 -0.780 143 HA SER 567 HA SER 567 43.084 13.356 -0.452 144 HB2 SER 567 HB2 SER 567 44.084 13.995 -2.443 145 HB3 SER 567 HB3 SER 567 45.146 12.678 -1.957 146 HG SER 567 HG SER 567 43.404 12.875 -4.069 147 H ASP 568 HN ASP 568 42.295 10.448 -2.314 148 HA ASP 568 HA ASP 568 39.922 11.570 -3.502 149 HB2 ASP 568 HB2 ASP 568 41.043 8.777 -3.359 150 HB3 ASP 568 HB3 ASP 568 39.501 9.137 -4.126 151 H HIS 569 HN HIS 569 40.654 9.963 -0.514 152 HA HIS 569 HA HIS 569 37.768 9.916 0.142 153 HB2 HIS 569 HB2 HIS 569 39.750 7.890 1.216 154 HB3 HIS 569 HB3 HIS 569 38.002 7.883 1.399 155 HD2 HIS 569 HD2 HIS 569 40.314 7.857 -1.862 156 HE1 HIS 569 HE1 HIS 569 37.257 4.991 -2.297 157 HE2 HIS 569 HE2 HIS 569 39.276 6.040 -3.409 158 HA PRO 570 HA PRO 570 40.256 12.585 3.083 159 HB2 PRO 570 HB2 PRO 570 37.779 14.217 2.998 160 HB3 PRO 570 HB3 PRO 570 39.470 14.720 2.802 161 HG2 PRO 570 HG2 PRO 570 37.817 14.654 0.731 162 HG3 PRO 570 HG3 PRO 570 39.513 14.158 0.568 163 HD2 PRO 570 HD2 PRO 570 37.065 12.422 0.822 164 HD3 PRO 570 HD3 PRO 570 38.465 12.238 -0.265 165 H GLY 571 HN GLY 571 40.097 12.573 5.287 166 HA2 GLY 571 HA2 GLY 571 39.271 12.193 7.399 167 HA3 GLY 571 HA3 GLY 571 37.650 12.276 6.724 168 H ILE 572 HN ILE 572 39.860 9.963 5.330 169 HA ILE 572 HA ILE 572 38.198 7.812 6.384 170 HB ILE 572 HB ILE 572 38.746 7.845 3.962 171 HG12 ILE 572 HG12 ILE 572 39.998 5.466 5.355 172 HG13 ILE 572 HG13 ILE 572 38.261 5.752 5.333 173 HG21 ILE 572 HG21 ILE 572 41.017 7.217 3.231 174 HG22 ILE 572 HG22 ILE 572 41.574 7.265 4.905 175 HG23 ILE 572 HG23 ILE 572 41.047 8.747 4.113 176 HD11 ILE 572 HD11 ILE 572 39.875 5.677 2.785 177 HD12 ILE 572 HD12 ILE 572 38.132 5.488 2.986 178 HD13 ILE 572 HD13 ILE 572 39.227 4.208 3.512 179 H SER 573 HN SER 573 38.845 6.269 7.783 180 HA SER 573 HA SER 573 41.017 6.864 9.523 181 HB2 SER 573 HB2 SER 573 40.247 5.078 10.833 182 HB3 SER 573 HB3 SER 573 38.789 5.650 10.034 183 HG SER 573 HG SER 573 38.972 3.397 9.865 184 H ILE 574 HN ILE 574 42.776 5.422 10.056 185 HA ILE 574 HA ILE 574 44.367 4.744 7.820 186 HB ILE 574 HB ILE 574 44.708 3.816 10.684 187 HG12 ILE 574 HG12 ILE 574 44.486 6.269 10.628 188 HG13 ILE 574 HG13 ILE 574 46.143 5.817 10.993 189 HG21 ILE 574 HG21 ILE 574 47.151 3.822 10.041 190 HG22 ILE 574 HG22 ILE 574 46.644 4.063 8.369 191 HG23 ILE 574 HG23 ILE 574 46.179 2.594 9.227 192 HD11 ILE 574 HD11 ILE 574 46.628 6.124 8.489 193 HD12 ILE 574 HD12 ILE 574 46.288 7.598 9.395 194 HD13 ILE 574 HD13 ILE 574 45.040 6.882 8.376 195 H THR 575 HN THR 575 42.525 2.775 10.113 196 HA THR 575 HA THR 575 43.262 0.234 9.168 197 HB THR 575 HB THR 575 40.563 0.973 10.310 198 HG1 THR 575 HG3 THR 575 41.592 1.497 12.044 199 HG21 THR 575 HG21 THR 575 42.270 -1.527 10.462 200 HG22 THR 575 HG22 THR 575 40.815 -1.332 9.485 201 HG23 THR 575 HG23 THR 575 40.705 -1.307 11.245 202 H ASP 576 HN ASP 576 40.603 2.404 8.244 203 HA ASP 576 HA ASP 576 39.385 0.677 6.354 204 HB2 ASP 576 HB2 ASP 576 39.331 3.631 6.865 205 HB3 ASP 576 HB3 ASP 576 38.630 3.005 5.378 206 H LEU 577 HN LEU 577 41.997 3.058 6.122 207 HA LEU 577 HA LEU 577 42.268 3.108 3.310 208 HB2 LEU 577 HB2 LEU 577 44.180 3.654 5.568 209 HB3 LEU 577 HB3 LEU 577 44.728 3.678 3.899 210 HG LEU 577 HG LEU 577 42.448 5.365 4.982 211 HD11 LEU 577 HD11 LEU 577 44.144 7.215 4.652 212 HD12 LEU 577 HD12 LEU 577 45.362 5.961 4.426 213 HD13 LEU 577 HD13 LEU 577 44.520 6.104 5.970 214 HD21 LEU 577 HD21 LEU 577 42.134 5.093 2.618 215 HD22 LEU 577 HD22 LEU 577 43.866 5.197 2.303 216 HD23 LEU 577 HD23 LEU 577 42.971 6.636 2.789 217 H SER 578 HN SER 578 43.719 1.046 5.801 218 HA SER 578 HA SER 578 45.516 -0.367 4.176 219 HB2 SER 578 HB2 SER 578 44.039 -1.309 6.644 220 HB3 SER 578 HB3 SER 578 45.434 -2.109 5.925 221 HG SER 578 HG SER 578 46.647 -0.703 6.890 222 H LYS 579 HN LYS 579 42.095 -0.970 4.925 223 HA LYS 579 HA LYS 579 41.860 -3.445 3.551 224 HB2 LYS 579 HB2 LYS 579 39.805 -1.312 4.186 225 HB3 LYS 579 HB3 LYS 579 39.405 -2.865 3.459 226 HG2 LYS 579 HG2 LYS 579 40.384 -4.024 5.414 227 HG3 LYS 579 HG3 LYS 579 40.756 -2.464 6.145 228 HD2 LYS 579 HD2 LYS 579 38.364 -1.887 6.160 229 HD3 LYS 579 HD3 LYS 579 37.978 -3.426 5.397 230 HE2 LYS 579 HE2 LYS 579 38.909 -4.625 7.344 231 HE3 LYS 579 HE3 LYS 579 39.293 -3.086 8.109 232 HZ1 LYS 579 HZ1 LYS 579 37.260 -3.640 9.024 233 HZ2 LYS 579 HZ2 LYS 579 36.649 -4.278 7.571 234 HZ3 LYS 579 HZ3 LYS 579 36.810 -2.597 7.764 235 H LYS 580 HN LYS 580 41.341 -0.073 2.571 236 HA LYS 580 HA LYS 580 40.467 -0.579 -0.076 237 HB2 LYS 580 HB2 LYS 580 41.776 1.821 1.212 238 HB3 LYS 580 HB3 LYS 580 41.298 1.798 -0.485 239 HG2 LYS 580 HG2 LYS 580 38.977 1.221 0.213 240 HG3 LYS 580 HG3 LYS 580 39.482 1.380 1.898 241 HD2 LYS 580 HD2 LYS 580 40.049 3.698 1.588 242 HD3 LYS 580 HD3 LYS 580 39.794 3.584 -0.147 243 HE2 LYS 580 HE2 LYS 580 37.880 4.665 1.024 244 HE3 LYS 580 HE3 LYS 580 37.406 3.197 0.181 245 HZ1 LYS 580 HZ1 LYS 580 38.243 2.686 2.870 246 HZ2 LYS 580 HZ2 LYS 580 36.807 2.247 2.079 247 HZ3 LYS 580 HZ3 LYS 580 36.942 3.773 2.808 248 H ALA 581 HN ALA 581 43.650 -0.060 1.329 249 HA ALA 581 HA ALA 581 45.150 0.124 -1.031 250 HB1 ALA 581 HB1 ALA 581 45.789 -0.788 1.777 251 HB2 ALA 581 HB2 ALA 581 46.211 0.739 1.003 252 HB3 ALA 581 HB3 ALA 581 47.018 -0.751 0.514 253 H GLY 582 HN GLY 582 44.274 -2.658 0.983 254 HA2 GLY 582 HA2 GLY 582 45.601 -4.614 -0.609 255 HA3 GLY 582 HA3 GLY 582 44.367 -4.927 0.608 256 H GLU 583 HN GLU 583 42.292 -3.355 -0.500 257 HA GLU 583 HA GLU 583 41.131 -5.191 -2.316 258 HB2 GLU 583 HB2 GLU 583 39.838 -3.770 -0.757 259 HB3 GLU 583 HB3 GLU 583 40.294 -2.348 -1.686 260 HG2 GLU 583 HG2 GLU 583 39.125 -3.197 -3.643 261 HG3 GLU 583 HG3 GLU 583 38.770 -4.711 -2.823 262 H ILE 584 HN ILE 584 42.615 -1.992 -2.837 263 HA ILE 584 HA ILE 584 41.999 -1.838 -5.597 264 HB ILE 584 HB ILE 584 44.176 -0.485 -3.961 265 HG12 ILE 584 HG12 ILE 584 41.598 0.604 -5.144 266 HG13 ILE 584 HG13 ILE 584 41.700 -0.032 -3.510 267 HG21 ILE 584 HG21 ILE 584 44.858 -0.558 -6.333 268 HG22 ILE 584 HG22 ILE 584 44.334 1.077 -5.926 269 HG23 ILE 584 HG23 ILE 584 43.264 0.006 -6.830 270 HD11 ILE 584 HD11 ILE 584 43.272 1.671 -2.856 271 HD12 ILE 584 HD12 ILE 584 41.954 2.491 -3.699 272 HD13 ILE 584 HD13 ILE 584 43.485 2.194 -4.527 273 H TRP 585 HN TRP 585 44.840 -3.058 -3.851 274 HA TRP 585 HA TRP 585 46.488 -3.682 -6.023 275 HB2 TRP 585 HB2 TRP 585 46.369 -4.311 -3.198 276 HB3 TRP 585 HB3 TRP 585 46.778 -5.773 -4.084 277 HD1 TRP 585 HD1 TRP 585 48.523 -3.393 -2.335 278 HE1 TRP 585 HE1 TRP 585 50.840 -2.829 -3.350 279 HE3 TRP 585 HE3 TRP 585 47.867 -5.253 -7.007 280 HZ2 TRP 585 HZ2 TRP 585 52.224 -3.125 -5.887 281 HZ3 TRP 585 HZ3 TRP 585 49.665 -5.105 -8.701 282 HH2 TRP 585 HH2 TRP 585 51.827 -4.039 -8.133 283 H LYS 586 HN LYS 586 44.008 -5.615 -4.442 284 HA LYS 586 HA LYS 586 44.353 -7.997 -5.880 285 HB2 LYS 586 HB2 LYS 586 41.905 -6.800 -4.579 286 HB3 LYS 586 HB3 LYS 586 41.909 -8.402 -5.306 287 HG2 LYS 586 HG2 LYS 586 43.710 -9.109 -3.792 288 HG3 LYS 586 HG3 LYS 586 43.766 -7.500 -3.083 289 HD2 LYS 586 HD2 LYS 586 41.483 -7.723 -2.269 290 HD3 LYS 586 HD3 LYS 586 41.305 -9.268 -3.092 291 HE2 LYS 586 HE2 LYS 586 41.731 -9.665 -0.725 292 HE3 LYS 586 HE3 LYS 586 43.128 -10.200 -1.655 293 HZ1 LYS 586 HZ1 LYS 586 43.774 -8.916 0.290 294 HZ2 LYS 586 HZ2 LYS 586 42.875 -7.585 -0.266 295 HZ3 LYS 586 HZ3 LYS 586 44.232 -8.123 -1.137 296 H GLY 587 HN GLY 587 42.457 -5.107 -6.696 297 HA2 GLY 587 HA2 GLY 587 41.289 -6.294 -9.067 298 HA3 GLY 587 HA3 GLY 587 41.177 -4.608 -8.579 299 H MET 588 HN MET 588 44.126 -4.403 -8.320 300 HA MET 588 HA MET 588 44.718 -3.605 -11.011 301 HB2 MET 588 HB2 MET 588 45.422 -2.352 -8.953 302 HB3 MET 588 HB3 MET 588 46.587 -3.635 -8.637 303 HG2 MET 588 HG2 MET 588 47.757 -3.191 -10.663 304 HG3 MET 588 HG3 MET 588 46.474 -2.147 -11.263 305 HE1 MET 588 HE1 MET 588 50.085 -1.208 -8.897 306 HE2 MET 588 HE2 MET 588 49.481 -2.750 -9.498 307 HE3 MET 588 HE3 MET 588 49.013 -2.190 -7.892 308 H SER 589 HN SER 589 46.568 -4.251 -12.228 309 HA SER 589 HA SER 589 46.747 -7.015 -12.636 310 HB2 SER 589 HB2 SER 589 48.195 -6.494 -14.389 311 HB3 SER 589 HB3 SER 589 47.276 -5.007 -14.198 312 HG SER 589 HG SER 589 49.256 -4.230 -14.088 313 H LYS 590 HN LYS 590 48.236 -8.554 -12.203 314 HA LYS 590 HA LYS 590 49.678 -8.479 -9.761 315 HB2 LYS 590 HB2 LYS 590 49.755 -10.423 -12.076 316 HB3 LYS 590 HB3 LYS 590 50.578 -10.684 -10.543 317 HG2 LYS 590 HG2 LYS 590 48.438 -10.609 -9.350 318 HG3 LYS 590 HG3 LYS 590 47.590 -10.267 -10.857 319 HD2 LYS 590 HD2 LYS 590 48.350 -12.419 -11.781 320 HD3 LYS 590 HD3 LYS 590 49.211 -12.765 -10.284 321 HE2 LYS 590 HE2 LYS 590 47.081 -12.724 -9.038 322 HE3 LYS 590 HE3 LYS 590 46.212 -12.354 -10.524 323 HZ1 LYS 590 HZ1 LYS 590 46.283 -14.475 -11.173 324 HZ2 LYS 590 HZ2 LYS 590 46.681 -14.838 -9.562 325 HZ3 LYS 590 HZ3 LYS 590 47.907 -14.677 -10.726 326 H GLU 591 HN GLU 591 50.643 -8.146 -13.131 327 HA GLU 591 HA GLU 591 53.414 -8.380 -12.948 328 HB2 GLU 591 HB2 GLU 591 52.112 -8.226 -15.058 329 HB3 GLU 591 HB3 GLU 591 51.842 -6.516 -14.748 330 HG2 GLU 591 HG2 GLU 591 54.255 -6.091 -14.853 331 HG3 GLU 591 HG3 GLU 591 54.571 -7.807 -15.073 332 H LYS 592 HN LYS 592 51.359 -5.600 -12.198 333 HA LYS 592 HA LYS 592 53.411 -3.658 -11.976 334 HB2 LYS 592 HB2 LYS 592 50.632 -3.889 -10.848 335 HB3 LYS 592 HB3 LYS 592 51.692 -2.581 -10.335 336 HG2 LYS 592 HG2 LYS 592 51.962 -1.855 -12.663 337 HG3 LYS 592 HG3 LYS 592 50.961 -3.198 -13.215 338 HD2 LYS 592 HD2 LYS 592 49.051 -2.327 -11.997 339 HD3 LYS 592 HD3 LYS 592 50.029 -1.043 -11.300 340 HE2 LYS 592 HE2 LYS 592 50.412 -0.123 -13.563 341 HE3 LYS 592 HE3 LYS 592 49.424 -1.412 -14.250 342 HZ1 LYS 592 HZ1 LYS 592 48.556 0.742 -12.403 343 HZ2 LYS 592 HZ2 LYS 592 47.597 -0.614 -12.763 344 HZ3 LYS 592 HZ3 LYS 592 48.037 0.472 -13.995 345 H LYS 593 HN LYS 593 52.172 -6.062 -9.706 346 HA LYS 593 HA LYS 593 53.464 -5.045 -7.378 347 HB2 LYS 593 HB2 LYS 593 51.600 -6.713 -7.416 348 HB3 LYS 593 HB3 LYS 593 52.745 -7.908 -8.014 349 HG2 LYS 593 HG2 LYS 593 54.111 -7.627 -5.989 350 HG3 LYS 593 HG3 LYS 593 52.984 -6.402 -5.398 351 HD2 LYS 593 HD2 LYS 593 51.168 -8.035 -5.461 352 HD3 LYS 593 HD3 LYS 593 52.285 -9.258 -6.052 353 HE2 LYS 593 HE2 LYS 593 53.576 -9.096 -3.970 354 HE3 LYS 593 HE3 LYS 593 52.498 -7.826 -3.390 355 HZ1 LYS 593 HZ1 LYS 593 52.043 -10.213 -2.650 356 HZ2 LYS 593 HZ2 LYS 593 51.448 -10.456 -4.223 357 HZ3 LYS 593 HZ3 LYS 593 50.730 -9.297 -3.209 358 H GLU 594 HN GLU 594 54.374 -7.366 -9.851 359 HA GLU 594 HA GLU 594 56.780 -8.286 -8.776 360 HB2 GLU 594 HB2 GLU 594 55.960 -7.879 -11.658 361 HB3 GLU 594 HB3 GLU 594 57.416 -8.733 -11.162 362 HG2 GLU 594 HG2 GLU 594 56.051 -10.352 -9.907 363 HG3 GLU 594 HG3 GLU 594 54.590 -9.486 -10.362 364 H GLU 595 HN GLU 595 56.151 -5.390 -10.839 365 HA GLU 595 HA GLU 595 58.890 -4.704 -11.089 366 HB2 GLU 595 HB2 GLU 595 58.162 -2.456 -11.751 367 HB3 GLU 595 HB3 GLU 595 57.281 -3.706 -12.607 368 HG2 GLU 595 HG2 GLU 595 55.322 -3.293 -11.431 369 HG3 GLU 595 HG3 GLU 595 56.130 -2.430 -10.135 370 H TRP 596 HN TRP 596 56.456 -3.773 -8.717 371 HA TRP 596 HA TRP 596 58.026 -1.927 -7.255 372 HB2 TRP 596 HB2 TRP 596 55.698 -3.679 -6.457 373 HB3 TRP 596 HB3 TRP 596 56.495 -2.603 -5.315 374 HD1 TRP 596 HD1 TRP 596 53.839 -2.661 -7.859 375 HE1 TRP 596 HE1 TRP 596 53.015 -0.277 -8.373 376 HE3 TRP 596 HE3 TRP 596 57.531 0.038 -5.592 377 HZ2 TRP 596 HZ2 TRP 596 53.816 2.439 -7.867 378 HZ3 TRP 596 HZ3 TRP 596 57.472 2.515 -5.613 379 HH2 TRP 596 HH2 TRP 596 55.626 3.719 -6.746 380 H ASP 597 HN ASP 597 57.636 -5.444 -6.972 381 HA ASP 597 HA ASP 597 59.200 -5.831 -4.644 382 HB2 ASP 597 HB2 ASP 597 57.623 -7.491 -5.752 383 HB3 ASP 597 HB3 ASP 597 58.894 -7.785 -6.932 384 H ARG 598 HN ARG 598 60.000 -5.764 -8.085 385 HA ARG 598 HA ARG 598 62.699 -6.560 -7.931 386 HB2 ARG 598 HB2 ARG 598 61.379 -6.449 -10.028 387 HB3 ARG 598 HB3 ARG 598 61.388 -4.693 -9.927 388 HG2 ARG 598 HG2 ARG 598 63.835 -4.674 -10.091 389 HG3 ARG 598 HG3 ARG 598 63.864 -6.436 -10.121 390 HD2 ARG 598 HD2 ARG 598 62.397 -4.748 -12.165 391 HD3 ARG 598 HD3 ARG 598 64.036 -5.349 -12.397 392 HE ARG 598 HE ARG 598 62.390 -7.524 -11.710 393 HH11 ARG 598 HH11 ARG 598 62.824 -5.280 -14.371 394 HH12 ARG 598 HH12 ARG 598 62.228 -6.398 -15.552 395 HH21 ARG 598 HH21 ARG 598 61.618 -8.932 -13.284 396 HH22 ARG 598 HH22 ARG 598 61.554 -8.439 -14.944 397 H LYS 599 HN LYS 599 61.196 -3.311 -7.781 398 HA LYS 599 HA LYS 599 63.602 -1.821 -7.629 399 HB2 LYS 599 HB2 LYS 599 60.846 -1.211 -6.530 400 HB3 LYS 599 HB3 LYS 599 62.187 -0.075 -6.486 401 HG2 LYS 599 HG2 LYS 599 62.327 -0.131 -8.945 402 HG3 LYS 599 HG3 LYS 599 60.994 -1.284 -9.000 403 HD2 LYS 599 HD2 LYS 599 59.515 0.363 -7.913 404 HD3 LYS 599 HD3 LYS 599 60.845 1.513 -7.829 405 HE2 LYS 599 HE2 LYS 599 60.988 1.522 -10.298 406 HE3 LYS 599 HE3 LYS 599 59.653 0.376 -10.377 407 HZ1 LYS 599 HZ1 LYS 599 58.204 2.025 -10.163 408 HZ2 LYS 599 HZ2 LYS 599 59.486 3.133 -10.279 409 HZ3 LYS 599 HZ3 LYS 599 58.955 2.603 -8.755 410 H ALA 600 HN ALA 600 61.529 -3.282 -5.158 411 HA ALA 600 HA ALA 600 62.846 -2.287 -2.878 412 HB1 ALA 600 HB1 ALA 600 61.581 -3.846 -1.647 413 HB2 ALA 600 HB2 ALA 600 61.513 -4.985 -2.991 414 HB3 ALA 600 HB3 ALA 600 60.578 -3.491 -3.054 415 H GLU 601 HN GLU 601 63.421 -5.181 -4.848 416 HA GLU 601 HA GLU 601 65.348 -6.388 -3.154 417 HB2 GLU 601 HB2 GLU 601 64.886 -6.597 -6.130 418 HB3 GLU 601 HB3 GLU 601 66.100 -7.540 -5.276 419 HG2 GLU 601 HG2 GLU 601 64.372 -8.527 -3.853 420 HG3 GLU 601 HG3 GLU 601 63.141 -7.539 -4.622 421 H ASP 602 HN ASP 602 65.648 -4.086 -5.861 422 HA ASP 602 HA ASP 602 68.481 -4.050 -5.943 423 HB2 ASP 602 HB2 ASP 602 66.331 -2.193 -6.908 424 HB3 ASP 602 HB3 ASP 602 68.002 -1.641 -6.904 425 H ALA 603 HN ALA 603 66.119 -2.116 -4.148 426 HA ALA 603 HA ALA 603 67.937 -0.274 -3.020 427 HB1 ALA 603 HB1 ALA 603 65.248 -1.289 -2.086 428 HB2 ALA 603 HB2 ALA 603 65.604 0.230 -2.908 429 HB3 ALA 603 HB3 ALA 603 66.141 -0.021 -1.246 430 H ARG 604 HN ARG 604 66.799 -3.461 -1.963 431 HA ARG 604 HA ARG 604 68.039 -3.523 0.577 432 HB2 ARG 604 HB2 ARG 604 66.295 -5.130 -0.171 433 HB3 ARG 604 HB3 ARG 604 67.447 -5.837 -1.296 434 HG2 ARG 604 HG2 ARG 604 68.919 -6.436 0.616 435 HG3 ARG 604 HG3 ARG 604 67.727 -5.765 1.727 436 HD2 ARG 604 HD2 ARG 604 66.045 -7.373 0.815 437 HD3 ARG 604 HD3 ARG 604 67.307 -8.089 -0.175 438 HE ARG 604 HE ARG 604 67.975 -8.026 2.635 439 HH11 ARG 604 HH11 ARG 604 66.229 -9.826 0.180 440 HH12 ARG 604 HH12 ARG 604 66.349 -11.327 1.037 441 HH21 ARG 604 HH21 ARG 604 68.126 -10.021 3.692 442 HH22 ARG 604 HH22 ARG 604 67.407 -11.434 2.994 443 H ARG 605 HN ARG 605 69.173 -4.520 -2.651 444 HA ARG 605 HA ARG 605 71.682 -5.568 -1.845 445 HB2 ARG 605 HB2 ARG 605 70.824 -4.309 -4.466 446 HB3 ARG 605 HB3 ARG 605 72.365 -5.119 -4.221 447 HG2 ARG 605 HG2 ARG 605 69.685 -6.461 -3.763 448 HG3 ARG 605 HG3 ARG 605 70.570 -6.554 -5.281 449 HD2 ARG 605 HD2 ARG 605 72.502 -7.542 -4.072 450 HD3 ARG 605 HD3 ARG 605 71.573 -7.503 -2.582 451 HE ARG 605 HE ARG 605 71.115 -9.275 -4.879 452 HH11 ARG 605 HH11 ARG 605 70.069 -8.209 -1.695 453 HH12 ARG 605 HH12 ARG 605 69.112 -9.624 -1.425 454 HH21 ARG 605 HH21 ARG 605 69.872 -11.098 -4.452 455 HH22 ARG 605 HH22 ARG 605 69.000 -11.233 -2.960 456 H ASP 606 HN ASP 606 70.605 -2.324 -2.764 457 HA ASP 606 HA ASP 606 73.135 -1.066 -2.800 458 HB2 ASP 606 HB2 ASP 606 70.304 -0.122 -2.561 459 HB3 ASP 606 HB3 ASP 606 71.614 1.013 -2.250 460 H TYR 607 HN TYR 607 70.808 -1.650 -0.180 461 HA TYR 607 HA TYR 607 72.011 -0.012 1.795 462 HB2 TYR 607 HB2 TYR 607 70.262 -2.458 1.902 463 HB3 TYR 607 HB3 TYR 607 71.012 -1.866 3.378 464 HD1 TYR 607 HD1 TYR 607 68.290 -1.443 1.061 465 HD2 TYR 607 HD2 TYR 607 70.619 0.593 4.042 466 HE1 TYR 607 HE1 TYR 607 66.482 0.228 1.333 467 HE2 TYR 607 HE2 TYR 607 68.806 2.264 4.314 468 HH TYR 607 HH TYR 607 66.634 2.974 2.358 469 H GLU 608 HN GLU 608 72.556 -3.359 0.814 470 HA GLU 608 HA GLU 608 74.441 -4.067 2.799 471 HB2 GLU 608 HB2 GLU 608 73.209 -5.665 1.344 472 HB3 GLU 608 HB3 GLU 608 74.151 -5.108 -0.031 473 HG2 GLU 608 HG2 GLU 608 76.222 -5.869 1.083 474 HG3 GLU 608 HG3 GLU 608 75.278 -6.421 2.461 475 H LYS 609 HN LYS 609 74.783 -2.711 -0.458 476 HA LYS 609 HA LYS 609 77.612 -2.726 -0.568 477 HB2 LYS 609 HB2 LYS 609 76.106 -2.454 -2.542 478 HB3 LYS 609 HB3 LYS 609 75.693 -0.844 -1.966 479 HG2 LYS 609 HG2 LYS 609 78.024 -0.135 -2.166 480 HG3 LYS 609 HG3 LYS 609 78.503 -1.763 -2.639 481 HD2 LYS 609 HD2 LYS 609 77.085 -1.606 -4.646 482 HD3 LYS 609 HD3 LYS 609 76.579 0.011 -4.172 483 HE2 LYS 609 HE2 LYS 609 78.346 0.180 -5.845 484 HE3 LYS 609 HE3 LYS 609 78.960 0.755 -4.297 485 HZ1 LYS 609 HZ1 LYS 609 80.577 -0.677 -5.259 486 HZ2 LYS 609 HZ2 LYS 609 79.429 -1.899 -5.542 487 HZ3 LYS 609 HZ3 LYS 609 79.885 -1.507 -3.953 488 H ALA 610 HN ALA 610 75.282 -0.217 0.401 489 HA ALA 610 HA ALA 610 77.211 1.800 0.970 490 HB1 ALA 610 HB1 ALA 610 75.439 3.068 1.761 491 HB2 ALA 610 HB2 ALA 610 74.582 1.663 2.398 492 HB3 ALA 610 HB3 ALA 610 74.615 1.966 0.658 493 H MET 611 HN MET 611 75.583 -0.621 2.927 494 HA MET 611 HA MET 611 76.641 0.175 5.440 495 HB2 MET 611 HB2 MET 611 74.590 -1.177 5.182 496 HB3 MET 611 HB3 MET 611 75.551 -2.504 4.541 497 HG2 MET 611 HG2 MET 611 75.060 -2.848 6.924 498 HG3 MET 611 HG3 MET 611 76.785 -2.647 6.661 499 HE1 MET 611 HE1 MET 611 73.736 -0.153 6.839 500 HE2 MET 611 HE2 MET 611 73.894 0.449 8.487 501 HE3 MET 611 HE3 MET 611 73.534 -1.254 8.213 502 H LYS 612 HN LYS 612 77.718 -2.015 2.902 503 HA LYS 612 HA LYS 612 79.779 -3.329 4.313 504 HB2 LYS 612 HB2 LYS 612 78.830 -4.092 2.136 505 HB3 LYS 612 HB3 LYS 612 79.621 -2.736 1.341 506 HG2 LYS 612 HG2 LYS 612 81.815 -3.588 2.033 507 HG3 LYS 612 HG3 LYS 612 81.045 -4.912 2.902 508 HD2 LYS 612 HD2 LYS 612 80.079 -5.734 0.775 509 HD3 LYS 612 HD3 LYS 612 80.882 -4.423 -0.088 510 HE2 LYS 612 HE2 LYS 612 83.076 -5.270 0.638 511 HE3 LYS 612 HE3 LYS 612 82.289 -6.563 1.538 512 HZ1 LYS 612 HZ1 LYS 612 82.962 -7.452 -0.532 513 HZ2 LYS 612 HZ2 LYS 612 82.295 -6.151 -1.399 514 HZ3 LYS 612 HZ3 LYS 612 81.278 -7.266 -0.618 515 H GLU 613 HN GLU 613 79.765 -0.309 2.431 516 HA GLU 613 HA GLU 613 82.615 0.116 2.930 517 HB2 GLU 613 HB2 GLU 613 81.601 0.727 0.743 518 HB3 GLU 613 HB3 GLU 613 80.605 1.925 1.562 519 HG2 GLU 613 HG2 GLU 613 82.633 3.098 2.328 520 HG3 GLU 613 HG3 GLU 613 83.640 1.888 1.547 521 H TYR 614 HN TYR 614 79.503 1.254 4.080 522 HA TYR 614 HA TYR 614 80.353 3.534 5.531 523 HB2 TYR 614 HB2 TYR 614 77.995 3.133 5.004 524 HB3 TYR 614 HB3 TYR 614 77.999 1.675 5.986 525 HD1 TYR 614 HD1 TYR 614 78.688 5.362 6.228 526 HD2 TYR 614 HD2 TYR 614 77.357 1.809 8.248 527 HE1 TYR 614 HE1 TYR 614 78.088 6.715 8.217 528 HE2 TYR 614 HE2 TYR 614 76.754 3.160 10.231 529 HH TYR 614 HH TYR 614 76.085 5.749 10.561 530 H GLU 615 HN GLU 615 79.914 0.134 6.453 531 HA GLU 615 HA GLU 615 80.665 0.408 9.176 532 HB2 GLU 615 HB2 GLU 615 79.414 -1.520 8.200 533 HB3 GLU 615 HB3 GLU 615 80.893 -2.032 7.395 534 HG2 GLU 615 HG2 GLU 615 82.006 -2.295 9.566 535 HG3 GLU 615 HG3 GLU 615 80.568 -1.712 10.394 536 H GLY 616 HN GLY 616 82.484 -0.268 6.219 537 HA2 GLY 616 HA2 GLY 616 84.736 0.206 5.811 538 HA3 GLY 616 HA3 GLY 616 84.963 0.513 7.530 539 H GLY 617 HN GLY 617 86.929 -0.769 7.211 540 HA2 GLY 617 HA2 GLY 617 87.868 -2.755 8.124 541 HA3 GLY 617 HA3 GLY 617 86.404 -3.627 7.678 Start of MODEL 15 1 H MET 551 HT1 MET 551 56.191 -9.576 0.194 2 HA MET 551 HA MET 551 54.098 -8.006 1.502 3 HB2 MET 551 HB2 MET 551 56.754 -9.220 2.325 4 HB3 MET 551 HB3 MET 551 55.797 -8.193 3.390 5 HG2 MET 551 HG2 MET 551 53.878 -9.777 3.156 6 HG3 MET 551 HG3 MET 551 54.893 -10.827 2.163 7 HE1 MET 551 HE1 MET 551 54.422 -12.654 5.560 8 HE2 MET 551 HE2 MET 551 55.016 -13.139 3.974 9 HE3 MET 551 HE3 MET 551 53.579 -12.128 4.098 10 H SER 552 HN SER 552 57.524 -7.744 0.523 11 HA SER 552 HA SER 552 57.891 -5.091 1.420 12 HB2 SER 552 HB2 SER 552 59.874 -5.091 -0.063 13 HB3 SER 552 HB3 SER 552 59.786 -6.525 0.956 14 HG SER 552 HG SER 552 58.950 -6.310 -1.760 15 H ALA 553 HN ALA 553 56.862 -6.407 -1.700 16 HA ALA 553 HA ALA 553 56.852 -3.977 -3.151 17 HB1 ALA 553 HB1 ALA 553 56.652 -5.926 -4.461 18 HB2 ALA 553 HB2 ALA 553 55.026 -5.241 -4.506 19 HB3 ALA 553 HB3 ALA 553 55.382 -6.594 -3.434 20 H TYR 554 HN TYR 554 54.476 -5.584 -1.135 21 HA TYR 554 HA TYR 554 52.271 -3.878 -1.595 22 HB2 TYR 554 HB2 TYR 554 52.090 -6.123 -0.627 23 HB3 TYR 554 HB3 TYR 554 53.027 -5.621 0.772 24 HD1 TYR 554 HD1 TYR 554 49.793 -5.236 -1.003 25 HD2 TYR 554 HD2 TYR 554 52.009 -4.392 2.586 26 HE1 TYR 554 HE1 TYR 554 47.689 -4.609 0.152 27 HE2 TYR 554 HE2 TYR 554 49.902 -3.755 3.734 28 HH TYR 554 HH TYR 554 46.807 -4.409 2.363 29 H MET 555 HN MET 555 54.852 -3.881 0.871 30 HA MET 555 HA MET 555 53.881 -1.720 2.402 31 HB2 MET 555 HB2 MET 555 56.620 -2.938 2.049 32 HB3 MET 555 HB3 MET 555 56.394 -1.493 3.031 33 HG2 MET 555 HG2 MET 555 54.842 -2.664 4.510 34 HG3 MET 555 HG3 MET 555 54.845 -4.076 3.458 35 HE1 MET 555 HE1 MET 555 57.314 -1.708 5.548 36 HE2 MET 555 HE2 MET 555 58.143 -2.029 4.024 37 HE3 MET 555 HE3 MET 555 58.785 -2.693 5.524 38 H LEU 556 HN LEU 556 56.237 -1.791 -0.290 39 HA LEU 556 HA LEU 556 56.801 0.991 -0.278 40 HB2 LEU 556 HB2 LEU 556 56.954 -0.983 -2.580 41 HB3 LEU 556 HB3 LEU 556 57.657 0.628 -2.582 42 HG LEU 556 HG LEU 556 58.427 -1.635 -0.698 43 HD11 LEU 556 HD11 LEU 556 59.116 -1.881 -3.106 44 HD12 LEU 556 HD12 LEU 556 60.482 -1.744 -1.998 45 HD13 LEU 556 HD13 LEU 556 59.989 -0.355 -2.967 46 HD21 LEU 556 HD21 LEU 556 59.330 1.243 -0.930 47 HD22 LEU 556 HD22 LEU 556 60.418 0.010 -0.285 48 HD23 LEU 556 HD23 LEU 556 58.884 0.343 0.522 49 H TRP 557 HN TRP 557 54.474 -0.976 -2.057 50 HA TRP 557 HA TRP 557 53.392 1.037 -3.727 51 HB2 TRP 557 HB2 TRP 557 53.124 -1.341 -4.173 52 HB3 TRP 557 HB3 TRP 557 52.291 -1.570 -2.649 53 HD1 TRP 557 HD1 TRP 557 51.679 -0.831 -6.255 54 HE1 TRP 557 HE1 TRP 557 49.151 -0.510 -6.639 55 HE3 TRP 557 HE3 TRP 557 50.087 -0.360 -1.427 56 HZ2 TRP 557 HZ2 TRP 557 46.786 -0.116 -5.119 57 HZ3 TRP 557 HZ3 TRP 557 47.694 -0.000 -0.927 58 HH2 TRP 557 HH2 TRP 557 46.040 0.123 -2.770 59 H LEU 558 HN LEU 558 52.458 -0.188 -0.529 60 HA LEU 558 HA LEU 558 50.099 1.334 -0.209 61 HB2 LEU 558 HB2 LEU 558 51.075 -0.695 1.155 62 HB3 LEU 558 HB3 LEU 558 51.830 0.555 2.126 63 HG LEU 558 HG LEU 558 48.845 0.210 1.622 64 HD11 LEU 558 HD11 LEU 558 50.544 -0.132 4.120 65 HD12 LEU 558 HD12 LEU 558 49.858 -1.442 3.159 66 HD13 LEU 558 HD13 LEU 558 48.794 -0.341 4.033 67 HD21 LEU 558 HD21 LEU 558 49.108 2.554 1.906 68 HD22 LEU 558 HD22 LEU 558 50.414 2.354 3.075 69 HD23 LEU 558 HD23 LEU 558 48.754 1.979 3.537 70 H ASN 559 HN ASN 559 53.489 1.966 0.705 71 HA ASN 559 HA ASN 559 53.004 4.343 2.143 72 HB2 ASN 559 HB2 ASN 559 55.409 3.280 0.680 73 HB3 ASN 559 HB3 ASN 559 55.438 4.862 1.447 74 HD21 ASN 559 HD21 ASN 559 57.106 2.694 2.255 75 HD22 ASN 559 HD22 ASN 559 56.674 2.247 3.834 76 H ALA 560 HN ALA 560 53.803 3.809 -1.278 77 HA ALA 560 HA ALA 560 53.761 6.588 -1.959 78 HB1 ALA 560 HB1 ALA 560 53.768 5.739 -4.299 79 HB2 ALA 560 HB2 ALA 560 53.562 4.102 -3.675 80 HB3 ALA 560 HB3 ALA 560 55.026 5.010 -3.300 81 H SER 561 HN SER 561 51.435 3.954 -2.159 82 HA SER 561 HA SER 561 49.416 5.468 -3.499 83 HB2 SER 561 HB2 SER 561 49.404 2.790 -2.127 84 HB3 SER 561 HB3 SER 561 47.946 3.499 -2.812 85 HG SER 561 HG SER 561 50.381 2.866 -4.137 86 H ARG 562 HN ARG 562 50.262 5.063 -0.141 87 HA ARG 562 HA ARG 562 47.842 5.492 1.151 88 HB2 ARG 562 HB2 ARG 562 49.941 4.905 2.302 89 HB3 ARG 562 HB3 ARG 562 50.584 6.508 1.969 90 HG2 ARG 562 HG2 ARG 562 48.710 7.493 3.307 91 HG3 ARG 562 HG3 ARG 562 48.145 5.860 3.671 92 HD2 ARG 562 HD2 ARG 562 49.510 6.630 5.534 93 HD3 ARG 562 HD3 ARG 562 50.388 5.362 4.684 94 HE ARG 562 HE ARG 562 51.125 7.895 3.623 95 HH11 ARG 562 HH11 ARG 562 51.524 5.976 6.529 96 HH12 ARG 562 HH12 ARG 562 53.050 6.686 6.937 97 HH21 ARG 562 HH21 ARG 562 53.130 8.787 4.183 98 HH22 ARG 562 HH22 ARG 562 53.956 8.265 5.613 99 H GLU 563 HN GLU 563 50.095 7.928 -0.157 100 HA GLU 563 HA GLU 563 48.651 10.190 0.781 101 HB2 GLU 563 HB2 GLU 563 51.029 10.255 0.078 102 HB3 GLU 563 HB3 GLU 563 50.532 9.952 -1.584 103 HG2 GLU 563 HG2 GLU 563 49.295 12.067 -1.641 104 HG3 GLU 563 HG3 GLU 563 49.657 12.359 0.058 105 H LYS 564 HN LYS 564 48.620 8.387 -2.267 106 HA LYS 564 HA LYS 564 46.805 10.063 -3.653 107 HB2 LYS 564 HB2 LYS 564 47.455 7.120 -3.975 108 HB3 LYS 564 HB3 LYS 564 46.408 8.009 -5.075 109 HG2 LYS 564 HG2 LYS 564 48.271 9.567 -5.591 110 HG3 LYS 564 HG3 LYS 564 49.323 8.665 -4.497 111 HD2 LYS 564 HD2 LYS 564 49.038 6.628 -5.870 112 HD3 LYS 564 HD3 LYS 564 47.957 7.502 -6.958 113 HE2 LYS 564 HE2 LYS 564 49.794 9.079 -7.504 114 HE3 LYS 564 HE3 LYS 564 50.874 8.182 -6.440 115 HZ1 LYS 564 HZ1 LYS 564 49.958 6.222 -8.012 116 HZ2 LYS 564 HZ2 LYS 564 51.376 7.103 -8.331 117 HZ3 LYS 564 HZ3 LYS 564 49.923 7.523 -9.102 118 H ILE 565 HN ILE 565 46.312 7.105 -1.740 119 HA ILE 565 HA ILE 565 43.502 6.973 -2.110 120 HB ILE 565 HB ILE 565 45.157 5.778 0.146 121 HG12 ILE 565 HG12 ILE 565 44.201 4.366 -2.366 122 HG13 ILE 565 HG13 ILE 565 45.749 5.195 -2.334 123 HG21 ILE 565 HG21 ILE 565 43.283 4.261 0.451 124 HG22 ILE 565 HG22 ILE 565 42.459 4.921 -0.962 125 HG23 ILE 565 HG23 ILE 565 42.649 5.906 0.484 126 HD11 ILE 565 HD11 ILE 565 44.931 2.990 -0.407 127 HD12 ILE 565 HD12 ILE 565 46.506 3.782 -0.470 128 HD13 ILE 565 HD13 ILE 565 45.974 2.772 -1.812 129 H LYS 566 HN LYS 566 45.514 8.301 0.510 130 HA LYS 566 HA LYS 566 43.398 9.065 2.207 131 HB2 LYS 566 HB2 LYS 566 45.784 8.933 2.904 132 HB3 LYS 566 HB3 LYS 566 46.125 10.368 1.940 133 HG2 LYS 566 HG2 LYS 566 44.563 11.693 3.316 134 HG3 LYS 566 HG3 LYS 566 44.152 10.257 4.258 135 HD2 LYS 566 HD2 LYS 566 46.510 10.057 4.998 136 HD3 LYS 566 HD3 LYS 566 46.928 11.493 4.062 137 HE2 LYS 566 HE2 LYS 566 45.359 12.841 5.422 138 HE3 LYS 566 HE3 LYS 566 44.938 11.409 6.360 139 HZ1 LYS 566 HZ1 LYS 566 46.900 11.438 7.464 140 HZ2 LYS 566 HZ2 LYS 566 46.827 13.096 7.103 141 HZ3 LYS 566 HZ3 LYS 566 47.777 12.059 6.150 142 H SER 567 HN SER 567 45.084 10.828 -0.375 143 HA SER 567 HA SER 567 43.637 13.262 0.001 144 HB2 SER 567 HB2 SER 567 45.292 12.190 -2.280 145 HB3 SER 567 HB3 SER 567 44.500 13.763 -2.342 146 HG SER 567 HG SER 567 46.788 13.095 -1.155 147 H ASP 568 HN ASP 568 43.180 10.414 -2.032 148 HA ASP 568 HA ASP 568 41.036 11.474 -3.593 149 HB2 ASP 568 HB2 ASP 568 42.195 8.755 -3.118 150 HB3 ASP 568 HB3 ASP 568 40.625 8.883 -3.904 151 H HIS 569 HN HIS 569 41.218 9.800 -0.507 152 HA HIS 569 HA HIS 569 38.281 10.096 -0.248 153 HB2 HIS 569 HB2 HIS 569 39.752 7.877 1.156 154 HB3 HIS 569 HB3 HIS 569 38.028 8.032 0.845 155 HD2 HIS 569 HD2 HIS 569 41.256 6.741 -0.907 156 HE1 HIS 569 HE1 HIS 569 38.023 5.946 -3.483 157 HE2 HIS 569 HE2 HIS 569 40.500 5.539 -3.093 158 HA PRO 570 HA PRO 570 40.591 12.424 3.070 159 HB2 PRO 570 HB2 PRO 570 38.306 14.287 2.702 160 HB3 PRO 570 HB3 PRO 570 40.046 14.631 2.753 161 HG2 PRO 570 HG2 PRO 570 38.710 14.757 0.471 162 HG3 PRO 570 HG3 PRO 570 40.350 14.081 0.529 163 HD2 PRO 570 HD2 PRO 570 37.722 12.615 0.429 164 HD3 PRO 570 HD3 PRO 570 39.217 12.306 -0.488 165 H GLY 571 HN GLY 571 40.141 12.403 5.234 166 HA2 GLY 571 HA2 GLY 571 38.861 12.291 7.186 167 HA3 GLY 571 HA3 GLY 571 37.418 12.120 6.198 168 H ILE 572 HN ILE 572 39.744 9.917 5.129 169 HA ILE 572 HA ILE 572 38.302 7.755 6.440 170 HB ILE 572 HB ILE 572 38.683 7.621 4.000 171 HG12 ILE 572 HG12 ILE 572 40.271 5.482 5.447 172 HG13 ILE 572 HG13 ILE 572 38.519 5.606 5.580 173 HG21 ILE 572 HG21 ILE 572 40.986 8.747 4.149 174 HG22 ILE 572 HG22 ILE 572 40.854 7.369 3.053 175 HG23 ILE 572 HG23 ILE 572 41.603 7.172 4.636 176 HD11 ILE 572 HD11 ILE 572 39.915 5.423 2.901 177 HD12 ILE 572 HD12 ILE 572 38.206 5.165 3.260 178 HD13 ILE 572 HD13 ILE 572 39.408 3.996 3.804 179 H SER 573 HN SER 573 39.135 6.343 7.866 180 HA SER 573 HA SER 573 41.375 7.211 9.423 181 HB2 SER 573 HB2 SER 573 40.879 5.296 10.836 182 HB3 SER 573 HB3 SER 573 39.382 6.118 10.405 183 HG SER 573 HG SER 573 38.763 4.361 9.440 184 H ILE 574 HN ILE 574 43.193 5.808 10.006 185 HA ILE 574 HA ILE 574 44.707 5.024 7.747 186 HB ILE 574 HB ILE 574 45.094 4.457 10.713 187 HG12 ILE 574 HG12 ILE 574 46.518 6.428 8.888 188 HG13 ILE 574 HG13 ILE 574 45.104 6.860 9.845 189 HG21 ILE 574 HG21 ILE 574 47.531 4.084 9.953 190 HG22 ILE 574 HG22 ILE 574 46.884 3.926 8.319 191 HG23 ILE 574 HG23 ILE 574 46.390 2.793 9.575 192 HD11 ILE 574 HD11 ILE 574 47.351 7.416 10.908 193 HD12 ILE 574 HD12 ILE 574 47.612 5.681 11.083 194 HD13 ILE 574 HD13 ILE 574 46.264 6.458 11.913 195 H THR 575 HN THR 575 42.931 3.179 10.193 196 HA THR 575 HA THR 575 43.657 0.596 9.367 197 HB THR 575 HB THR 575 41.000 1.400 10.564 198 HG1 THR 575 HG3 THR 575 43.557 1.083 11.723 199 HG21 THR 575 HG21 THR 575 41.317 -0.968 9.796 200 HG22 THR 575 HG22 THR 575 41.045 -0.818 11.531 201 HG23 THR 575 HG23 THR 575 42.673 -1.101 10.916 202 H ASP 576 HN ASP 576 40.937 2.680 8.437 203 HA ASP 576 HA ASP 576 39.681 0.828 6.697 204 HB2 ASP 576 HB2 ASP 576 39.550 3.801 7.060 205 HB3 ASP 576 HB3 ASP 576 38.808 3.075 5.638 206 H LEU 577 HN LEU 577 42.248 3.197 6.245 207 HA LEU 577 HA LEU 577 42.373 3.191 3.430 208 HB2 LEU 577 HB2 LEU 577 44.429 3.723 5.573 209 HB3 LEU 577 HB3 LEU 577 44.869 3.742 3.874 210 HG LEU 577 HG LEU 577 42.709 5.476 5.124 211 HD11 LEU 577 HD11 LEU 577 44.326 7.284 4.948 212 HD12 LEU 577 HD12 LEU 577 45.480 6.217 4.145 213 HD13 LEU 577 HD13 LEU 577 45.076 5.959 5.841 214 HD21 LEU 577 HD21 LEU 577 42.247 5.142 2.768 215 HD22 LEU 577 HD22 LEU 577 43.944 5.376 2.352 216 HD23 LEU 577 HD23 LEU 577 42.983 6.735 2.936 217 H SER 578 HN SER 578 43.891 1.119 5.877 218 HA SER 578 HA SER 578 45.608 -0.316 4.187 219 HB2 SER 578 HB2 SER 578 45.804 -1.879 5.959 220 HB3 SER 578 HB3 SER 578 45.514 -0.326 6.730 221 HG SER 578 HG SER 578 43.714 -2.461 6.295 222 H LYS 579 HN LYS 579 42.228 -0.865 5.069 223 HA LYS 579 HA LYS 579 41.883 -3.344 3.736 224 HB2 LYS 579 HB2 LYS 579 39.891 -1.148 4.362 225 HB3 LYS 579 HB3 LYS 579 39.441 -2.711 3.685 226 HG2 LYS 579 HG2 LYS 579 40.397 -3.858 5.654 227 HG3 LYS 579 HG3 LYS 579 40.875 -2.298 6.335 228 HD2 LYS 579 HD2 LYS 579 38.483 -1.583 6.298 229 HD3 LYS 579 HD3 LYS 579 38.033 -3.191 5.730 230 HE2 LYS 579 HE2 LYS 579 39.524 -2.664 8.320 231 HE3 LYS 579 HE3 LYS 579 37.779 -2.875 8.217 232 HZ1 LYS 579 HZ1 LYS 579 39.796 -4.877 7.341 233 HZ2 LYS 579 HZ2 LYS 579 38.108 -5.078 7.321 234 HZ3 LYS 579 HZ3 LYS 579 38.932 -4.931 8.800 235 H LYS 580 HN LYS 580 41.358 0.009 2.697 236 HA LYS 580 HA LYS 580 40.419 -0.528 0.080 237 HB2 LYS 580 HB2 LYS 580 41.773 1.868 1.332 238 HB3 LYS 580 HB3 LYS 580 41.323 1.845 -0.375 239 HG2 LYS 580 HG2 LYS 580 38.958 1.282 0.345 240 HG3 LYS 580 HG3 LYS 580 39.473 1.556 2.014 241 HD2 LYS 580 HD2 LYS 580 40.119 3.853 1.490 242 HD3 LYS 580 HD3 LYS 580 39.734 3.603 -0.213 243 HE2 LYS 580 HE2 LYS 580 37.365 3.147 0.405 244 HE3 LYS 580 HE3 LYS 580 37.762 3.472 2.093 245 HZ1 LYS 580 HZ1 LYS 580 37.798 5.361 -0.188 246 HZ2 LYS 580 HZ2 LYS 580 38.594 5.702 1.274 247 HZ3 LYS 580 HZ3 LYS 580 36.911 5.470 1.252 248 H ALA 581 HN ALA 581 43.634 -0.074 1.421 249 HA ALA 581 HA ALA 581 45.101 0.081 -0.963 250 HB1 ALA 581 HB1 ALA 581 46.285 0.653 0.969 251 HB2 ALA 581 HB2 ALA 581 46.937 -0.943 0.593 252 HB3 ALA 581 HB3 ALA 581 45.715 -0.763 1.854 253 H GLY 582 HN GLY 582 44.103 -2.680 1.018 254 HA2 GLY 582 HA2 GLY 582 45.428 -4.674 -0.498 255 HA3 GLY 582 HA3 GLY 582 44.085 -4.941 0.607 256 H GLU 583 HN GLU 583 42.149 -3.308 -0.637 257 HA GLU 583 HA GLU 583 41.135 -5.100 -2.581 258 HB2 GLU 583 HB2 GLU 583 40.281 -2.301 -1.815 259 HB3 GLU 583 HB3 GLU 583 39.406 -3.301 -2.972 260 HG2 GLU 583 HG2 GLU 583 39.041 -5.023 -1.250 261 HG3 GLU 583 HG3 GLU 583 39.974 -4.083 -0.087 262 H ILE 584 HN ILE 584 42.729 -1.922 -2.872 263 HA ILE 584 HA ILE 584 42.310 -1.640 -5.658 264 HB ILE 584 HB ILE 584 44.447 -0.462 -3.844 265 HG12 ILE 584 HG12 ILE 584 41.978 0.789 -5.108 266 HG13 ILE 584 HG13 ILE 584 41.978 0.091 -3.493 267 HG21 ILE 584 HG21 ILE 584 44.854 1.145 -5.703 268 HG22 ILE 584 HG22 ILE 584 43.723 0.249 -6.717 269 HG23 ILE 584 HG23 ILE 584 45.229 -0.506 -6.201 270 HD11 ILE 584 HD11 ILE 584 43.861 2.317 -4.347 271 HD12 ILE 584 HD12 ILE 584 43.592 1.717 -2.709 272 HD13 ILE 584 HD13 ILE 584 42.312 2.596 -3.547 273 H TRP 585 HN TRP 585 44.981 -3.055 -3.783 274 HA TRP 585 HA TRP 585 46.727 -3.647 -5.886 275 HB2 TRP 585 HB2 TRP 585 46.428 -4.395 -3.088 276 HB3 TRP 585 HB3 TRP 585 46.874 -5.817 -4.023 277 HD1 TRP 585 HD1 TRP 585 48.519 -3.441 -2.094 278 HE1 TRP 585 HE1 TRP 585 50.917 -2.934 -2.938 279 HE3 TRP 585 HE3 TRP 585 48.176 -5.347 -6.768 280 HZ2 TRP 585 HZ2 TRP 585 52.464 -3.292 -5.341 281 HZ3 TRP 585 HZ3 TRP 585 50.096 -5.264 -8.325 282 HH2 TRP 585 HH2 TRP 585 52.229 -4.237 -7.602 283 H LYS 586 HN LYS 586 44.133 -5.577 -4.488 284 HA LYS 586 HA LYS 586 44.485 -7.914 -6.004 285 HB2 LYS 586 HB2 LYS 586 42.005 -6.723 -4.744 286 HB3 LYS 586 HB3 LYS 586 42.019 -8.308 -5.513 287 HG2 LYS 586 HG2 LYS 586 43.774 -9.069 -3.938 288 HG3 LYS 586 HG3 LYS 586 43.784 -7.478 -3.176 289 HD2 LYS 586 HD2 LYS 586 41.395 -7.750 -2.556 290 HD3 LYS 586 HD3 LYS 586 41.382 -9.341 -3.316 291 HE2 LYS 586 HE2 LYS 586 43.090 -10.138 -1.734 292 HE3 LYS 586 HE3 LYS 586 43.169 -8.543 -0.990 293 HZ1 LYS 586 HZ1 LYS 586 41.239 -10.648 -0.622 294 HZ2 LYS 586 HZ2 LYS 586 40.522 -9.131 -0.895 295 HZ3 LYS 586 HZ3 LYS 586 41.618 -9.336 0.385 296 H GLY 587 HN GLY 587 42.681 -4.949 -6.772 297 HA2 GLY 587 HA2 GLY 587 41.570 -6.063 -9.213 298 HA3 GLY 587 HA3 GLY 587 41.420 -4.398 -8.664 299 H MET 588 HN MET 588 44.448 -4.349 -8.307 300 HA MET 588 HA MET 588 45.082 -3.203 -10.828 301 HB2 MET 588 HB2 MET 588 45.979 -2.494 -8.573 302 HB3 MET 588 HB3 MET 588 47.025 -3.913 -8.625 303 HG2 MET 588 HG2 MET 588 48.218 -3.109 -10.505 304 HG3 MET 588 HG3 MET 588 46.963 -1.936 -10.915 305 HE1 MET 588 HE1 MET 588 49.943 -2.205 -7.633 306 HE2 MET 588 HE2 MET 588 50.715 -1.534 -9.065 307 HE3 MET 588 HE3 MET 588 49.833 -3.053 -9.181 308 H SER 589 HN SER 589 46.753 -3.785 -12.252 309 HA SER 589 HA SER 589 46.630 -6.422 -13.197 310 HB2 SER 589 HB2 SER 589 48.391 -4.071 -13.810 311 HB3 SER 589 HB3 SER 589 48.693 -5.631 -14.573 312 HG SER 589 HG SER 589 46.749 -5.530 -15.558 313 H LYS 590 HN LYS 590 48.003 -8.119 -13.213 314 HA LYS 590 HA LYS 590 49.519 -8.718 -10.903 315 HB2 LYS 590 HB2 LYS 590 49.413 -10.031 -13.636 316 HB3 LYS 590 HB3 LYS 590 50.272 -10.714 -12.259 317 HG2 LYS 590 HG2 LYS 590 48.170 -10.853 -10.983 318 HG3 LYS 590 HG3 LYS 590 47.292 -10.100 -12.318 319 HD2 LYS 590 HD2 LYS 590 47.936 -11.980 -13.804 320 HD3 LYS 590 HD3 LYS 590 48.792 -12.743 -12.463 321 HE2 LYS 590 HE2 LYS 590 46.695 -12.917 -11.187 322 HE3 LYS 590 HE3 LYS 590 45.821 -12.103 -12.482 323 HZ1 LYS 590 HZ1 LYS 590 45.436 -14.336 -12.885 324 HZ2 LYS 590 HZ2 LYS 590 47.015 -14.805 -12.470 325 HZ3 LYS 590 HZ3 LYS 590 46.723 -13.999 -13.937 326 H GLU 591 HN GLU 591 50.443 -7.653 -14.149 327 HA GLU 591 HA GLU 591 53.212 -8.046 -14.062 328 HB2 GLU 591 HB2 GLU 591 51.590 -5.876 -15.418 329 HB3 GLU 591 HB3 GLU 591 53.313 -6.114 -15.692 330 HG2 GLU 591 HG2 GLU 591 52.890 -8.394 -16.520 331 HG3 GLU 591 HG3 GLU 591 51.170 -8.214 -16.187 332 H LYS 592 HN LYS 592 51.277 -5.347 -12.823 333 HA LYS 592 HA LYS 592 53.440 -3.644 -12.147 334 HB2 LYS 592 HB2 LYS 592 50.617 -3.856 -11.103 335 HB3 LYS 592 HB3 LYS 592 51.764 -2.680 -10.467 336 HG2 LYS 592 HG2 LYS 592 52.056 -1.705 -12.705 337 HG3 LYS 592 HG3 LYS 592 50.964 -2.915 -13.391 338 HD2 LYS 592 HD2 LYS 592 49.123 -2.089 -12.046 339 HD3 LYS 592 HD3 LYS 592 50.176 -0.955 -11.206 340 HE2 LYS 592 HE2 LYS 592 50.596 0.205 -13.357 341 HE3 LYS 592 HE3 LYS 592 49.517 -0.929 -14.171 342 HZ1 LYS 592 HZ1 LYS 592 48.336 1.084 -13.637 343 HZ2 LYS 592 HZ2 LYS 592 48.773 0.965 -12.001 344 HZ3 LYS 592 HZ3 LYS 592 47.723 -0.181 -12.688 345 H LYS 593 HN LYS 593 51.909 -6.334 -10.447 346 HA LYS 593 HA LYS 593 53.018 -5.898 -7.894 347 HB2 LYS 593 HB2 LYS 593 51.261 -7.666 -8.897 348 HB3 LYS 593 HB3 LYS 593 52.708 -8.670 -8.943 349 HG2 LYS 593 HG2 LYS 593 51.845 -7.184 -6.448 350 HG3 LYS 593 HG3 LYS 593 51.329 -8.836 -6.802 351 HD2 LYS 593 HD2 LYS 593 53.742 -9.483 -7.019 352 HD3 LYS 593 HD3 LYS 593 54.178 -7.860 -6.495 353 HE2 LYS 593 HE2 LYS 593 53.004 -8.180 -4.379 354 HE3 LYS 593 HE3 LYS 593 52.494 -9.790 -4.891 355 HZ1 LYS 593 HZ1 LYS 593 54.365 -10.422 -3.855 356 HZ2 LYS 593 HZ2 LYS 593 55.076 -8.882 -3.943 357 HZ3 LYS 593 HZ3 LYS 593 55.137 -9.929 -5.281 358 H GLU 594 HN GLU 594 54.184 -7.699 -10.682 359 HA GLU 594 HA GLU 594 56.555 -8.689 -9.555 360 HB2 GLU 594 HB2 GLU 594 55.854 -7.993 -12.417 361 HB3 GLU 594 HB3 GLU 594 57.341 -8.815 -11.947 362 HG2 GLU 594 HG2 GLU 594 56.057 -10.675 -10.989 363 HG3 GLU 594 HG3 GLU 594 54.542 -9.841 -11.335 364 H GLU 595 HN GLU 595 55.847 -5.551 -11.154 365 HA GLU 595 HA GLU 595 58.543 -4.717 -11.321 366 HB2 GLU 595 HB2 GLU 595 57.761 -2.745 -12.129 367 HB3 GLU 595 HB3 GLU 595 56.251 -3.629 -12.246 368 HG2 GLU 595 HG2 GLU 595 55.640 -2.683 -9.946 369 HG3 GLU 595 HG3 GLU 595 57.078 -1.681 -10.063 370 H TRP 596 HN TRP 596 56.136 -4.225 -8.771 371 HA TRP 596 HA TRP 596 57.749 -2.671 -7.062 372 HB2 TRP 596 HB2 TRP 596 55.432 -4.520 -6.449 373 HB3 TRP 596 HB3 TRP 596 56.236 -3.533 -5.232 374 HD1 TRP 596 HD1 TRP 596 53.662 -3.356 -7.941 375 HE1 TRP 596 HE1 TRP 596 52.728 -0.959 -8.081 376 HE3 TRP 596 HE3 TRP 596 57.000 -0.939 -4.952 377 HZ2 TRP 596 HZ2 TRP 596 53.311 1.622 -7.062 378 HZ3 TRP 596 HZ3 TRP 596 56.788 1.495 -4.542 379 HH2 TRP 596 HH2 TRP 596 54.943 2.780 -5.597 380 H ASP 597 HN ASP 597 57.369 -6.173 -7.387 381 HA ASP 597 HA ASP 597 58.866 -6.979 -5.137 382 HB2 ASP 597 HB2 ASP 597 57.445 -8.517 -6.417 383 HB3 ASP 597 HB3 ASP 597 58.485 -8.337 -7.822 384 H ARG 598 HN ARG 598 59.801 -6.327 -8.497 385 HA ARG 598 HA ARG 598 62.550 -6.980 -8.216 386 HB2 ARG 598 HB2 ARG 598 61.073 -5.233 -10.198 387 HB3 ARG 598 HB3 ARG 598 62.802 -5.556 -10.304 388 HG2 ARG 598 HG2 ARG 598 62.395 -7.955 -10.518 389 HG3 ARG 598 HG3 ARG 598 60.665 -7.720 -10.263 390 HD2 ARG 598 HD2 ARG 598 61.070 -7.949 -12.657 391 HD3 ARG 598 HD3 ARG 598 60.613 -6.280 -12.325 392 HE ARG 598 HE ARG 598 63.442 -6.536 -12.224 393 HH11 ARG 598 HH11 ARG 598 60.801 -6.495 -14.533 394 HH12 ARG 598 HH12 ARG 598 61.791 -5.920 -15.834 395 HH21 ARG 598 HH21 ARG 598 64.698 -5.815 -13.928 396 HH22 ARG 598 HH22 ARG 598 63.999 -5.535 -15.488 397 H LYS 599 HN LYS 599 60.750 -3.907 -7.910 398 HA LYS 599 HA LYS 599 63.001 -2.213 -7.565 399 HB2 LYS 599 HB2 LYS 599 60.147 -1.934 -6.580 400 HB3 LYS 599 HB3 LYS 599 61.369 -0.692 -6.350 401 HG2 LYS 599 HG2 LYS 599 61.655 -0.519 -8.812 402 HG3 LYS 599 HG3 LYS 599 60.410 -1.753 -9.034 403 HD2 LYS 599 HD2 LYS 599 58.761 -0.318 -7.867 404 HD3 LYS 599 HD3 LYS 599 59.998 0.916 -7.626 405 HE2 LYS 599 HE2 LYS 599 60.246 1.155 -10.075 406 HE3 LYS 599 HE3 LYS 599 59.015 -0.080 -10.324 407 HZ1 LYS 599 HZ1 LYS 599 58.719 2.700 -9.552 408 HZ2 LYS 599 HZ2 LYS 599 57.732 1.615 -8.693 409 HZ3 LYS 599 HZ3 LYS 599 57.650 1.686 -10.388 410 H ALA 600 HN ALA 600 60.992 -4.032 -5.293 411 HA ALA 600 HA ALA 600 62.114 -3.066 -2.903 412 HB1 ALA 600 HB1 ALA 600 60.818 -5.728 -3.541 413 HB2 ALA 600 HB2 ALA 600 60.025 -4.291 -2.896 414 HB3 ALA 600 HB3 ALA 600 61.194 -5.170 -1.910 415 H GLU 601 HN GLU 601 63.033 -5.787 -4.995 416 HA GLU 601 HA GLU 601 65.078 -6.804 -3.286 417 HB2 GLU 601 HB2 GLU 601 63.992 -8.109 -5.098 418 HB3 GLU 601 HB3 GLU 601 64.784 -7.081 -6.289 419 HG2 GLU 601 HG2 GLU 601 66.996 -7.806 -5.470 420 HG3 GLU 601 HG3 GLU 601 66.227 -8.794 -4.229 421 H ASP 602 HN ASP 602 65.074 -4.488 -5.993 422 HA ASP 602 HA ASP 602 67.890 -4.175 -6.139 423 HB2 ASP 602 HB2 ASP 602 65.556 -2.538 -7.059 424 HB3 ASP 602 HB3 ASP 602 67.163 -1.822 -7.076 425 H ALA 603 HN ALA 603 65.390 -2.585 -4.221 426 HA ALA 603 HA ALA 603 66.977 -0.509 -3.166 427 HB1 ALA 603 HB1 ALA 603 64.659 -1.934 -1.833 428 HB2 ALA 603 HB2 ALA 603 64.498 -0.611 -2.990 429 HB3 ALA 603 HB3 ALA 603 65.277 -0.332 -1.433 430 H ARG 604 HN ARG 604 66.372 -3.837 -2.071 431 HA ARG 604 HA ARG 604 67.821 -3.675 0.357 432 HB2 ARG 604 HB2 ARG 604 67.269 -6.053 -1.443 433 HB3 ARG 604 HB3 ARG 604 67.957 -6.175 0.173 434 HG2 ARG 604 HG2 ARG 604 65.265 -4.901 -0.416 435 HG3 ARG 604 HG3 ARG 604 65.462 -6.584 0.055 436 HD2 ARG 604 HD2 ARG 604 66.470 -4.274 1.741 437 HD3 ARG 604 HD3 ARG 604 64.880 -4.989 1.937 438 HE ARG 604 HE ARG 604 66.662 -7.114 2.082 439 HH11 ARG 604 HH11 ARG 604 66.175 -4.109 3.822 440 HH12 ARG 604 HH12 ARG 604 66.760 -4.735 5.326 441 HH21 ARG 604 HH21 ARG 604 67.388 -7.917 4.076 442 HH22 ARG 604 HH22 ARG 604 67.448 -6.887 5.467 443 H ARG 605 HN ARG 605 68.775 -4.563 -2.956 444 HA ARG 605 HA ARG 605 71.444 -5.330 -2.378 445 HB2 ARG 605 HB2 ARG 605 70.173 -4.208 -4.892 446 HB3 ARG 605 HB3 ARG 605 71.854 -4.725 -4.820 447 HG2 ARG 605 HG2 ARG 605 71.128 -7.006 -4.181 448 HG3 ARG 605 HG3 ARG 605 69.442 -6.488 -4.248 449 HD2 ARG 605 HD2 ARG 605 69.716 -5.908 -6.645 450 HD3 ARG 605 HD3 ARG 605 71.395 -6.439 -6.580 451 HE ARG 605 HE ARG 605 69.551 -8.484 -5.717 452 HH11 ARG 605 HH11 ARG 605 71.057 -7.032 -8.532 453 HH12 ARG 605 HH12 ARG 605 70.835 -8.437 -9.521 454 HH21 ARG 605 HH21 ARG 605 69.261 -10.279 -7.034 455 HH22 ARG 605 HH22 ARG 605 69.820 -10.271 -8.674 456 H ASP 606 HN ASP 606 69.960 -2.224 -3.213 457 HA ASP 606 HA ASP 606 72.348 -0.719 -3.410 458 HB2 ASP 606 HB2 ASP 606 69.451 -0.064 -3.030 459 HB3 ASP 606 HB3 ASP 606 70.651 1.203 -2.796 460 H TYR 607 HN TYR 607 70.230 -1.483 -0.661 461 HA TYR 607 HA TYR 607 71.353 0.309 1.224 462 HB2 TYR 607 HB2 TYR 607 69.219 -0.935 1.564 463 HB3 TYR 607 HB3 TYR 607 70.137 -2.425 1.727 464 HD1 TYR 607 HD1 TYR 607 69.193 0.745 3.328 465 HD2 TYR 607 HD2 TYR 607 71.551 -2.831 3.739 466 HE1 TYR 607 HE1 TYR 607 69.419 1.167 5.764 467 HE2 TYR 607 HE2 TYR 607 71.778 -2.400 6.171 468 HH TYR 607 HH TYR 607 70.940 0.579 7.594 469 H GLU 608 HN GLU 608 72.101 -3.052 0.397 470 HA GLU 608 HA GLU 608 74.118 -3.530 2.282 471 HB2 GLU 608 HB2 GLU 608 73.748 -4.590 -0.532 472 HB3 GLU 608 HB3 GLU 608 74.956 -5.210 0.588 473 HG2 GLU 608 HG2 GLU 608 73.189 -5.874 2.169 474 HG3 GLU 608 HG3 GLU 608 71.958 -5.183 1.112 475 H LYS 609 HN LYS 609 74.220 -2.037 -0.927 476 HA LYS 609 HA LYS 609 77.011 -1.821 -1.220 477 HB2 LYS 609 HB2 LYS 609 75.334 -1.461 -3.040 478 HB3 LYS 609 HB3 LYS 609 74.895 0.067 -2.278 479 HG2 LYS 609 HG2 LYS 609 77.191 0.907 -2.577 480 HG3 LYS 609 HG3 LYS 609 77.678 -0.637 -3.281 481 HD2 LYS 609 HD2 LYS 609 76.051 -0.316 -5.124 482 HD3 LYS 609 HD3 LYS 609 75.573 1.236 -4.430 483 HE2 LYS 609 HE2 LYS 609 77.880 2.075 -4.688 484 HE3 LYS 609 HE3 LYS 609 78.377 0.526 -5.364 485 HZ1 LYS 609 HZ1 LYS 609 77.441 2.668 -6.769 486 HZ2 LYS 609 HZ2 LYS 609 76.100 1.625 -6.716 487 HZ3 LYS 609 HZ3 LYS 609 77.579 1.082 -7.349 488 H ALA 610 HN ALA 610 74.634 0.298 0.328 489 HA ALA 610 HA ALA 610 76.404 2.450 0.882 490 HB1 ALA 610 HB1 ALA 610 74.698 3.172 2.489 491 HB2 ALA 610 HB2 ALA 610 73.902 1.604 2.356 492 HB3 ALA 610 HB3 ALA 610 73.956 2.686 0.965 493 H MET 611 HN MET 611 75.476 -0.454 2.670 494 HA MET 611 HA MET 611 76.748 0.170 5.096 495 HB2 MET 611 HB2 MET 611 76.226 -2.518 3.813 496 HB3 MET 611 HB3 MET 611 76.676 -2.281 5.498 497 HG2 MET 611 HG2 MET 611 74.137 -1.313 4.141 498 HG3 MET 611 HG3 MET 611 74.257 -2.569 5.358 499 HE1 MET 611 HE1 MET 611 75.241 -1.978 7.934 500 HE2 MET 611 HE2 MET 611 73.536 -2.218 7.552 501 HE3 MET 611 HE3 MET 611 74.019 -0.899 8.618 502 H LYS 612 HN LYS 612 77.879 -1.437 2.151 503 HA LYS 612 HA LYS 612 80.442 -2.170 3.121 504 HB2 LYS 612 HB2 LYS 612 79.412 -1.713 0.314 505 HB3 LYS 612 HB3 LYS 612 81.050 -2.264 0.661 506 HG2 LYS 612 HG2 LYS 612 80.108 -4.217 1.903 507 HG3 LYS 612 HG3 LYS 612 78.483 -3.685 1.466 508 HD2 LYS 612 HD2 LYS 612 80.616 -4.231 -0.622 509 HD3 LYS 612 HD3 LYS 612 79.518 -5.488 -0.049 510 HE2 LYS 612 HE2 LYS 612 77.590 -3.984 -0.679 511 HE3 LYS 612 HE3 LYS 612 78.760 -2.890 -1.415 512 HZ1 LYS 612 HZ1 LYS 612 77.882 -4.320 -3.093 513 HZ2 LYS 612 HZ2 LYS 612 78.232 -5.711 -2.182 514 HZ3 LYS 612 HZ3 LYS 612 79.495 -4.769 -2.820 515 H GLU 613 HN GLU 613 79.200 0.795 1.616 516 HA GLU 613 HA GLU 613 81.693 2.034 1.081 517 HB2 GLU 613 HB2 GLU 613 79.498 2.804 0.172 518 HB3 GLU 613 HB3 GLU 613 79.058 3.366 1.781 519 HG2 GLU 613 HG2 GLU 613 79.865 5.290 0.617 520 HG3 GLU 613 HG3 GLU 613 81.160 4.829 1.712 521 H TYR 614 HN TYR 614 79.597 2.022 3.952 522 HA TYR 614 HA TYR 614 81.020 3.924 5.471 523 HB2 TYR 614 HB2 TYR 614 79.527 1.500 6.517 524 HB3 TYR 614 HB3 TYR 614 79.970 2.927 7.441 525 HD1 TYR 614 HD1 TYR 614 79.273 5.155 5.599 526 HD2 TYR 614 HD2 TYR 614 77.192 1.485 6.429 527 HE1 TYR 614 HE1 TYR 614 77.126 6.229 4.986 528 HE2 TYR 614 HE2 TYR 614 75.046 2.554 5.805 529 HH TYR 614 HH TYR 614 74.141 4.929 5.730 530 H GLU 615 HN GLU 615 81.346 0.414 5.159 531 HA GLU 615 HA GLU 615 83.065 -1.038 5.653 532 HB2 GLU 615 HB2 GLU 615 84.743 1.490 5.725 533 HB3 GLU 615 HB3 GLU 615 85.365 -0.154 5.666 534 HG2 GLU 615 HG2 GLU 615 84.296 -0.505 3.478 535 HG3 GLU 615 HG3 GLU 615 83.616 1.123 3.538 536 H GLY 616 HN GLY 616 81.429 -0.075 7.777 537 HA2 GLY 616 HA2 GLY 616 83.041 0.640 10.042 538 HA3 GLY 616 HA3 GLY 616 81.343 0.175 10.076 539 H GLY 617 HN GLY 617 82.772 -0.729 12.088 540 HA2 GLY 617 HA2 GLY 617 83.061 -3.607 11.515 541 HA3 GLY 617 HA3 GLY 617 84.323 -2.765 12.409 Start of MODEL 16 1 H MET 551 HT1 MET 551 57.349 -7.934 -1.941 2 HA MET 551 HA MET 551 57.065 -9.324 0.215 3 HB2 MET 551 HB2 MET 551 59.940 -8.354 0.340 4 HB3 MET 551 HB3 MET 551 59.023 -8.920 1.732 5 HG2 MET 551 HG2 MET 551 59.655 -10.556 -0.746 6 HG3 MET 551 HG3 MET 551 60.458 -10.706 0.815 7 HE1 MET 551 HE1 MET 551 59.214 -10.696 2.883 8 HE2 MET 551 HE2 MET 551 59.001 -12.442 2.994 9 HE3 MET 551 HE3 MET 551 57.612 -11.382 3.189 10 H SER 552 HN SER 552 59.124 -6.447 -0.268 11 HA SER 552 HA SER 552 57.340 -4.874 1.433 12 HB2 SER 552 HB2 SER 552 59.060 -3.180 1.395 13 HB3 SER 552 HB3 SER 552 59.808 -4.737 1.735 14 HG SER 552 HG SER 552 59.758 -3.263 -0.681 15 H ALA 553 HN ALA 553 57.014 -5.766 -1.610 16 HA ALA 553 HA ALA 553 56.822 -3.409 -3.161 17 HB1 ALA 553 HB1 ALA 553 55.098 -4.866 -4.443 18 HB2 ALA 553 HB2 ALA 553 55.529 -6.132 -3.294 19 HB3 ALA 553 HB3 ALA 553 56.761 -5.450 -4.354 20 H TYR 554 HN TYR 554 54.589 -5.100 -1.033 21 HA TYR 554 HA TYR 554 52.268 -3.554 -1.540 22 HB2 TYR 554 HB2 TYR 554 52.227 -5.780 -0.514 23 HB3 TYR 554 HB3 TYR 554 53.120 -5.177 0.875 24 HD1 TYR 554 HD1 TYR 554 52.032 -3.913 2.611 25 HD2 TYR 554 HD2 TYR 554 49.878 -5.069 -0.917 26 HE1 TYR 554 HE1 TYR 554 49.898 -3.314 3.720 27 HE2 TYR 554 HE2 TYR 554 47.742 -4.466 0.188 28 HH TYR 554 HH TYR 554 47.553 -2.615 2.947 29 H MET 555 HN MET 555 54.844 -3.331 0.926 30 HA MET 555 HA MET 555 53.754 -1.147 2.371 31 HB2 MET 555 HB2 MET 555 55.508 -2.643 3.268 32 HB3 MET 555 HB3 MET 555 56.654 -2.002 2.095 33 HG2 MET 555 HG2 MET 555 56.511 0.212 3.094 34 HG3 MET 555 HG3 MET 555 55.218 -0.314 4.168 35 HE1 MET 555 HE1 MET 555 58.896 -2.385 3.498 36 HE2 MET 555 HE2 MET 555 59.665 -1.004 4.274 37 HE3 MET 555 HE3 MET 555 58.621 -0.752 2.877 38 H LEU 556 HN LEU 556 56.175 -1.243 -0.273 39 HA LEU 556 HA LEU 556 56.662 1.550 -0.372 40 HB2 LEU 556 HB2 LEU 556 56.881 -0.586 -2.509 41 HB3 LEU 556 HB3 LEU 556 57.404 1.077 -2.744 42 HG LEU 556 HG LEU 556 58.448 -0.713 -0.524 43 HD11 LEU 556 HD11 LEU 556 60.438 -0.995 -1.932 44 HD12 LEU 556 HD12 LEU 556 59.701 -0.015 -3.200 45 HD13 LEU 556 HD13 LEU 556 59.012 -1.586 -2.787 46 HD21 LEU 556 HD21 LEU 556 58.749 1.645 -0.023 47 HD22 LEU 556 HD22 LEU 556 59.317 1.970 -1.661 48 HD23 LEU 556 HD23 LEU 556 60.305 1.010 -0.559 49 H TRP 557 HN TRP 557 54.391 -0.531 -2.095 50 HA TRP 557 HA TRP 557 53.227 1.404 -3.805 51 HB2 TRP 557 HB2 TRP 557 53.045 -0.970 -4.224 52 HB3 TRP 557 HB3 TRP 557 52.261 -1.232 -2.680 53 HD1 TRP 557 HD1 TRP 557 51.563 -0.559 -6.265 54 HE1 TRP 557 HE1 TRP 557 49.022 -0.316 -6.639 55 HE3 TRP 557 HE3 TRP 557 49.987 -0.069 -1.421 56 HZ2 TRP 557 HZ2 TRP 557 46.631 0.034 -5.077 57 HZ3 TRP 557 HZ3 TRP 557 47.600 0.240 -0.913 58 HH2 TRP 557 HH2 TRP 557 45.919 0.289 -2.725 59 H LEU 558 HN LEU 558 52.359 0.216 -0.577 60 HA LEU 558 HA LEU 558 49.936 1.648 -0.272 61 HB2 LEU 558 HB2 LEU 558 51.018 -0.288 1.163 62 HB3 LEU 558 HB3 LEU 558 51.717 1.040 2.072 63 HG LEU 558 HG LEU 558 48.753 0.545 1.589 64 HD11 LEU 558 HD11 LEU 558 49.899 -0.990 3.184 65 HD12 LEU 558 HD12 LEU 558 48.699 0.032 3.974 66 HD13 LEU 558 HD13 LEU 558 50.416 0.410 4.123 67 HD21 LEU 558 HD21 LEU 558 48.592 2.379 3.442 68 HD22 LEU 558 HD22 LEU 558 48.909 2.902 1.791 69 HD23 LEU 558 HD23 LEU 558 50.233 2.810 2.955 70 H ASN 559 HN ASN 559 53.314 2.453 0.574 71 HA ASN 559 HA ASN 559 52.782 4.848 1.965 72 HB2 ASN 559 HB2 ASN 559 55.175 3.881 0.409 73 HB3 ASN 559 HB3 ASN 559 55.156 5.456 1.197 74 HD21 ASN 559 HD21 ASN 559 56.448 2.574 1.753 75 HD22 ASN 559 HD22 ASN 559 56.238 2.429 3.429 76 H ALA 560 HN ALA 560 53.513 4.286 -1.467 77 HA ALA 560 HA ALA 560 53.334 7.045 -2.210 78 HB1 ALA 560 HB1 ALA 560 53.354 4.467 -3.778 79 HB2 ALA 560 HB2 ALA 560 54.639 5.664 -3.628 80 HB3 ALA 560 HB3 ALA 560 53.189 6.041 -4.557 81 H SER 561 HN SER 561 51.131 4.304 -2.309 82 HA SER 561 HA SER 561 49.012 5.679 -3.655 83 HB2 SER 561 HB2 SER 561 49.157 3.048 -2.197 84 HB3 SER 561 HB3 SER 561 47.660 3.662 -2.893 85 HG SER 561 HG SER 561 48.655 3.701 -4.903 86 H ARG 562 HN ARG 562 49.931 5.383 -0.303 87 HA ARG 562 HA ARG 562 47.507 5.734 1.009 88 HB2 ARG 562 HB2 ARG 562 49.644 5.275 2.154 89 HB3 ARG 562 HB3 ARG 562 50.204 6.898 1.780 90 HG2 ARG 562 HG2 ARG 562 48.427 7.858 3.152 91 HG3 ARG 562 HG3 ARG 562 47.740 6.259 3.430 92 HD2 ARG 562 HD2 ARG 562 49.073 6.877 5.367 93 HD3 ARG 562 HD3 ARG 562 49.885 5.570 4.515 94 HE ARG 562 HE ARG 562 50.855 8.059 3.564 95 HH11 ARG 562 HH11 ARG 562 50.991 6.027 6.423 96 HH12 ARG 562 HH12 ARG 562 52.552 6.610 6.900 97 HH21 ARG 562 HH21 ARG 562 52.893 8.771 4.223 98 HH22 ARG 562 HH22 ARG 562 53.614 8.144 5.670 99 H GLU 563 HN GLU 563 49.631 8.232 -0.389 100 HA GLU 563 HA GLU 563 48.095 10.456 0.498 101 HB2 GLU 563 HB2 GLU 563 50.469 10.581 -0.231 102 HB3 GLU 563 HB3 GLU 563 49.958 10.251 -1.882 103 HG2 GLU 563 HG2 GLU 563 48.610 12.306 -1.895 104 HG3 GLU 563 HG3 GLU 563 49.048 12.624 -0.222 105 H LYS 564 HN LYS 564 48.101 8.552 -2.485 106 HA LYS 564 HA LYS 564 46.220 10.108 -3.933 107 HB2 LYS 564 HB2 LYS 564 47.761 8.404 -4.924 108 HB3 LYS 564 HB3 LYS 564 46.790 7.141 -4.177 109 HG2 LYS 564 HG2 LYS 564 44.828 7.839 -5.471 110 HG3 LYS 564 HG3 LYS 564 45.738 9.180 -6.165 111 HD2 LYS 564 HD2 LYS 564 47.319 7.586 -7.193 112 HD3 LYS 564 HD3 LYS 564 46.425 6.240 -6.493 113 HE2 LYS 564 HE2 LYS 564 45.769 6.531 -8.826 114 HE3 LYS 564 HE3 LYS 564 44.409 6.944 -7.785 115 HZ1 LYS 564 HZ1 LYS 564 44.631 8.607 -9.463 116 HZ2 LYS 564 HZ2 LYS 564 46.282 8.826 -9.118 117 HZ3 LYS 564 HZ3 LYS 564 45.104 9.297 -7.986 118 H ILE 565 HN ILE 565 45.850 7.221 -1.885 119 HA ILE 565 HA ILE 565 43.055 6.923 -2.242 120 HB ILE 565 HB ILE 565 44.757 6.012 0.108 121 HG12 ILE 565 HG12 ILE 565 43.882 4.338 -2.269 122 HG13 ILE 565 HG13 ILE 565 45.386 5.242 -2.305 123 HG21 ILE 565 HG21 ILE 565 42.280 6.010 0.486 124 HG22 ILE 565 HG22 ILE 565 42.965 4.384 0.481 125 HG23 ILE 565 HG23 ILE 565 42.093 4.979 -0.932 126 HD11 ILE 565 HD11 ILE 565 46.212 4.062 -0.343 127 HD12 ILE 565 HD12 ILE 565 45.679 2.875 -1.533 128 HD13 ILE 565 HD13 ILE 565 44.661 3.246 -0.141 129 H LYS 566 HN LYS 566 44.968 8.535 0.325 130 HA LYS 566 HA LYS 566 42.768 9.352 1.896 131 HB2 LYS 566 HB2 LYS 566 45.552 10.482 1.591 132 HB3 LYS 566 HB3 LYS 566 44.372 11.168 2.703 133 HG2 LYS 566 HG2 LYS 566 44.161 8.990 3.830 134 HG3 LYS 566 HG3 LYS 566 45.342 8.295 2.720 135 HD2 LYS 566 HD2 LYS 566 47.056 9.859 3.513 136 HD3 LYS 566 HD3 LYS 566 45.880 10.648 4.562 137 HE2 LYS 566 HE2 LYS 566 45.595 8.558 5.836 138 HE3 LYS 566 HE3 LYS 566 46.743 7.745 4.778 139 HZ1 LYS 566 HZ1 LYS 566 47.374 9.019 7.075 140 HZ2 LYS 566 HZ2 LYS 566 47.746 10.204 5.913 141 HZ3 LYS 566 HZ3 LYS 566 48.470 8.667 5.829 142 H SER 567 HN SER 567 44.444 10.945 -0.804 143 HA SER 567 HA SER 567 43.024 13.395 -0.695 144 HB2 SER 567 HB2 SER 567 44.423 12.017 -2.994 145 HB3 SER 567 HB3 SER 567 43.766 13.650 -3.075 146 HG SER 567 HG SER 567 45.173 14.272 -1.471 147 H ASP 568 HN ASP 568 42.391 10.345 -2.374 148 HA ASP 568 HA ASP 568 40.058 11.352 -3.757 149 HB2 ASP 568 HB2 ASP 568 41.203 8.577 -3.412 150 HB3 ASP 568 HB3 ASP 568 39.750 8.917 -4.343 151 H HIS 569 HN HIS 569 40.698 9.780 -0.710 152 HA HIS 569 HA HIS 569 37.793 9.745 -0.150 153 HB2 HIS 569 HB2 HIS 569 39.632 7.695 1.087 154 HB3 HIS 569 HB3 HIS 569 37.879 7.673 0.976 155 HD2 HIS 569 HD2 HIS 569 40.980 6.639 -1.148 156 HE1 HIS 569 HE1 HIS 569 37.546 5.603 -3.352 157 HE2 HIS 569 HE2 HIS 569 40.064 5.390 -3.241 158 HA PRO 570 HA PRO 570 40.187 12.265 2.969 159 HB2 PRO 570 HB2 PRO 570 38.431 14.345 3.120 160 HB3 PRO 570 HB3 PRO 570 39.713 14.250 1.894 161 HG2 PRO 570 HG2 PRO 570 36.816 13.586 1.655 162 HG3 PRO 570 HG3 PRO 570 37.869 14.460 0.526 163 HD2 PRO 570 HD2 PRO 570 37.220 11.842 0.172 164 HD3 PRO 570 HD3 PRO 570 38.784 12.511 -0.343 165 H GLY 571 HN GLY 571 39.844 12.276 5.161 166 HA2 GLY 571 HA2 GLY 571 38.676 12.177 7.177 167 HA3 GLY 571 HA3 GLY 571 37.180 11.970 6.278 168 H ILE 572 HN ILE 572 39.488 9.776 5.127 169 HA ILE 572 HA ILE 572 38.157 7.601 6.542 170 HB ILE 572 HB ILE 572 38.456 7.408 4.098 171 HG12 ILE 572 HG12 ILE 572 40.182 5.363 5.524 172 HG13 ILE 572 HG13 ILE 572 38.435 5.427 5.728 173 HG21 ILE 572 HG21 ILE 572 40.585 7.246 3.062 174 HG22 ILE 572 HG22 ILE 572 41.417 7.068 4.606 175 HG23 ILE 572 HG23 ILE 572 40.729 8.623 4.153 176 HD11 ILE 572 HD11 ILE 572 39.402 3.843 3.918 177 HD12 ILE 572 HD12 ILE 572 39.654 5.311 2.973 178 HD13 ILE 572 HD13 ILE 572 38.027 4.858 3.488 179 H SER 573 HN SER 573 39.100 6.220 7.948 180 HA SER 573 HA SER 573 41.375 7.170 9.409 181 HB2 SER 573 HB2 SER 573 40.968 5.279 10.868 182 HB3 SER 573 HB3 SER 573 39.431 6.034 10.459 183 HG SER 573 HG SER 573 38.903 4.342 9.272 184 H ILE 574 HN ILE 574 43.239 5.787 9.950 185 HA ILE 574 HA ILE 574 44.671 4.995 7.644 186 HB ILE 574 HB ILE 574 45.159 4.432 10.588 187 HG12 ILE 574 HG12 ILE 574 45.161 6.831 10.012 188 HG13 ILE 574 HG13 ILE 574 46.777 6.290 10.433 189 HG21 ILE 574 HG21 ILE 574 46.420 2.794 9.320 190 HG22 ILE 574 HG22 ILE 574 47.543 4.029 9.888 191 HG23 ILE 574 HG23 ILE 574 47.003 4.034 8.209 192 HD11 ILE 574 HD11 ILE 574 46.969 7.715 8.490 193 HD12 ILE 574 HD12 ILE 574 45.695 6.833 7.647 194 HD13 ILE 574 HD13 ILE 574 47.251 6.059 7.951 195 H THR 575 HN THR 575 43.010 3.139 10.169 196 HA THR 575 HA THR 575 43.736 0.561 9.324 197 HB THR 575 HB THR 575 41.114 1.341 10.614 198 HG1 THR 575 HG3 THR 575 42.278 1.969 12.221 199 HG21 THR 575 HG21 THR 575 41.082 -0.963 10.061 200 HG22 THR 575 HG22 THR 575 41.580 -0.921 11.752 201 HG23 THR 575 HG23 THR 575 42.781 -1.175 10.485 202 H ASP 576 HN ASP 576 40.959 2.605 8.473 203 HA ASP 576 HA ASP 576 39.681 0.735 6.764 204 HB2 ASP 576 HB2 ASP 576 39.528 3.705 7.149 205 HB3 ASP 576 HB3 ASP 576 38.746 2.977 5.751 206 H LEU 577 HN LEU 577 42.206 3.152 6.252 207 HA LEU 577 HA LEU 577 42.252 3.142 3.428 208 HB2 LEU 577 HB2 LEU 577 44.363 3.717 5.501 209 HB3 LEU 577 HB3 LEU 577 44.741 3.742 3.785 210 HG LEU 577 HG LEU 577 42.569 5.410 5.091 211 HD11 LEU 577 HD11 LEU 577 45.262 6.300 4.036 212 HD12 LEU 577 HD12 LEU 577 44.970 5.940 5.739 213 HD13 LEU 577 HD13 LEU 577 44.098 7.254 4.953 214 HD21 LEU 577 HD21 LEU 577 43.753 5.346 2.297 215 HD22 LEU 577 HD22 LEU 577 42.783 6.690 2.900 216 HD23 LEU 577 HD23 LEU 577 42.067 5.088 2.747 217 H SER 578 HN SER 578 43.887 1.121 5.829 218 HA SER 578 HA SER 578 45.578 -0.304 4.111 219 HB2 SER 578 HB2 SER 578 44.229 -1.292 6.636 220 HB3 SER 578 HB3 SER 578 45.635 -2.019 5.866 221 HG SER 578 HG SER 578 45.378 0.469 7.172 222 H LYS 579 HN LYS 579 42.187 -0.883 5.021 223 HA LYS 579 HA LYS 579 41.872 -3.376 3.701 224 HB2 LYS 579 HB2 LYS 579 39.878 -1.188 4.354 225 HB3 LYS 579 HB3 LYS 579 39.421 -2.747 3.671 226 HG2 LYS 579 HG2 LYS 579 40.413 -3.897 5.613 227 HG3 LYS 579 HG3 LYS 579 40.887 -2.342 6.298 228 HD2 LYS 579 HD2 LYS 579 38.509 -1.652 6.370 229 HD3 LYS 579 HD3 LYS 579 38.040 -3.214 5.700 230 HE2 LYS 579 HE2 LYS 579 39.033 -4.349 7.665 231 HE3 LYS 579 HE3 LYS 579 39.478 -2.781 8.337 232 HZ1 LYS 579 HZ1 LYS 579 37.399 -3.595 9.267 233 HZ2 LYS 579 HZ2 LYS 579 36.710 -3.669 7.714 234 HZ3 LYS 579 HZ3 LYS 579 37.145 -2.167 8.385 235 H LYS 580 HN LYS 580 41.319 -0.017 2.668 236 HA LYS 580 HA LYS 580 40.372 -0.579 0.058 237 HB2 LYS 580 HB2 LYS 580 41.712 1.852 1.263 238 HB3 LYS 580 HB3 LYS 580 41.212 1.795 -0.428 239 HG2 LYS 580 HG2 LYS 580 38.891 1.235 0.323 240 HG3 LYS 580 HG3 LYS 580 39.422 1.442 1.994 241 HD2 LYS 580 HD2 LYS 580 40.029 3.762 1.561 242 HD3 LYS 580 HD3 LYS 580 39.635 3.575 -0.146 243 HE2 LYS 580 HE2 LYS 580 37.285 3.127 0.425 244 HE3 LYS 580 HE3 LYS 580 37.665 3.270 2.141 245 HZ1 LYS 580 HZ1 LYS 580 37.303 5.333 0.154 246 HZ2 LYS 580 HZ2 LYS 580 38.666 5.565 1.143 247 HZ3 LYS 580 HZ3 LYS 580 37.126 5.407 1.838 248 H ALA 581 HN ALA 581 43.591 -0.022 1.359 249 HA ALA 581 HA ALA 581 45.031 0.100 -1.042 250 HB1 ALA 581 HB1 ALA 581 46.320 0.746 0.751 251 HB2 ALA 581 HB2 ALA 581 46.866 -0.923 0.606 252 HB3 ALA 581 HB3 ALA 581 45.654 -0.493 1.814 253 H GLY 582 HN GLY 582 44.117 -2.621 1.026 254 HA2 GLY 582 HA2 GLY 582 45.488 -4.649 -0.412 255 HA3 GLY 582 HA3 GLY 582 44.148 -4.897 0.706 256 H GLU 583 HN GLU 583 42.190 -3.329 -0.611 257 HA GLU 583 HA GLU 583 41.208 -5.201 -2.509 258 HB2 GLU 583 HB2 GLU 583 40.309 -2.394 -1.833 259 HB3 GLU 583 HB3 GLU 583 39.457 -3.448 -2.958 260 HG2 GLU 583 HG2 GLU 583 39.137 -5.118 -1.193 261 HG3 GLU 583 HG3 GLU 583 40.052 -4.129 -0.061 262 H ILE 584 HN ILE 584 42.691 -1.973 -2.882 263 HA ILE 584 HA ILE 584 42.322 -1.817 -5.687 264 HB ILE 584 HB ILE 584 44.351 -0.450 -3.880 265 HG12 ILE 584 HG12 ILE 584 41.838 0.615 -5.216 266 HG13 ILE 584 HG13 ILE 584 41.849 -0.034 -3.581 267 HG21 ILE 584 HG21 ILE 584 45.170 -0.501 -6.223 268 HG22 ILE 584 HG22 ILE 584 44.666 1.130 -5.777 269 HG23 ILE 584 HG23 ILE 584 43.620 0.128 -6.781 270 HD11 ILE 584 HD11 ILE 584 42.066 2.489 -3.725 271 HD12 ILE 584 HD12 ILE 584 43.645 2.240 -4.474 272 HD13 ILE 584 HD13 ILE 584 43.356 1.690 -2.823 273 H TRP 585 HN TRP 585 45.015 -3.012 -3.708 274 HA TRP 585 HA TRP 585 46.837 -3.610 -5.761 275 HB2 TRP 585 HB2 TRP 585 46.545 -4.172 -2.934 276 HB3 TRP 585 HB3 TRP 585 47.027 -5.656 -3.747 277 HD1 TRP 585 HD1 TRP 585 48.658 -3.263 -1.933 278 HE1 TRP 585 HE1 TRP 585 51.024 -2.676 -2.818 279 HE3 TRP 585 HE3 TRP 585 48.272 -5.135 -6.629 280 HZ2 TRP 585 HZ2 TRP 585 52.547 -2.973 -5.290 281 HZ3 TRP 585 HZ3 TRP 585 50.152 -4.983 -8.225 282 HH2 TRP 585 HH2 TRP 585 52.273 -3.911 -7.553 283 H LYS 586 HN LYS 586 44.366 -5.621 -4.264 284 HA LYS 586 HA LYS 586 44.841 -7.992 -5.705 285 HB2 LYS 586 HB2 LYS 586 43.463 -7.795 -3.638 286 HB3 LYS 586 HB3 LYS 586 42.195 -7.027 -4.587 287 HG2 LYS 586 HG2 LYS 586 41.941 -9.042 -5.950 288 HG3 LYS 586 HG3 LYS 586 43.301 -9.807 -5.125 289 HD2 LYS 586 HD2 LYS 586 42.067 -9.638 -2.973 290 HD3 LYS 586 HD3 LYS 586 40.699 -8.933 -3.828 291 HE2 LYS 586 HE2 LYS 586 41.840 -11.704 -4.318 292 HE3 LYS 586 HE3 LYS 586 40.361 -11.346 -3.431 293 HZ1 LYS 586 HZ1 LYS 586 40.902 -11.088 -6.310 294 HZ2 LYS 586 HZ2 LYS 586 39.714 -10.111 -5.585 295 HZ3 LYS 586 HZ3 LYS 586 39.579 -11.804 -5.524 296 H GLY 587 HN GLY 587 42.906 -5.155 -6.539 297 HA2 GLY 587 HA2 GLY 587 41.790 -6.413 -8.923 298 HA3 GLY 587 HA3 GLY 587 41.520 -4.759 -8.388 299 H MET 588 HN MET 588 44.624 -4.636 -8.118 300 HA MET 588 HA MET 588 45.091 -3.397 -10.652 301 HB2 MET 588 HB2 MET 588 46.038 -2.680 -8.398 302 HB3 MET 588 HB3 MET 588 47.170 -4.024 -8.553 303 HG2 MET 588 HG2 MET 588 48.230 -3.077 -10.416 304 HG3 MET 588 HG3 MET 588 46.858 -2.046 -10.806 305 HE1 MET 588 HE1 MET 588 49.906 -1.986 -7.614 306 HE2 MET 588 HE2 MET 588 50.580 -1.232 -9.054 307 HE3 MET 588 HE3 MET 588 49.863 -2.838 -9.161 308 H SER 589 HN SER 589 46.748 -3.906 -12.145 309 HA SER 589 HA SER 589 46.725 -6.547 -13.075 310 HB2 SER 589 HB2 SER 589 48.372 -4.128 -13.728 311 HB3 SER 589 HB3 SER 589 48.714 -5.674 -14.497 312 HG SER 589 HG SER 589 47.170 -5.035 -15.793 313 H LYS 590 HN LYS 590 48.201 -8.172 -13.153 314 HA LYS 590 HA LYS 590 49.788 -8.713 -10.878 315 HB2 LYS 590 HB2 LYS 590 48.719 -10.409 -12.364 316 HB3 LYS 590 HB3 LYS 590 49.882 -10.006 -13.619 317 HG2 LYS 590 HG2 LYS 590 51.731 -10.733 -12.165 318 HG3 LYS 590 HG3 LYS 590 50.587 -11.091 -10.868 319 HD2 LYS 590 HD2 LYS 590 49.442 -12.721 -12.362 320 HD3 LYS 590 HD3 LYS 590 50.640 -12.393 -13.609 321 HE2 LYS 590 HE2 LYS 590 51.313 -13.453 -10.845 322 HE3 LYS 590 HE3 LYS 590 51.119 -14.465 -12.273 323 HZ1 LYS 590 HZ1 LYS 590 53.374 -14.079 -12.222 324 HZ2 LYS 590 HZ2 LYS 590 53.206 -12.473 -11.687 325 HZ3 LYS 590 HZ3 LYS 590 52.841 -12.879 -13.298 326 H GLU 591 HN GLU 591 50.598 -7.517 -14.110 327 HA GLU 591 HA GLU 591 53.389 -7.757 -14.046 328 HB2 GLU 591 HB2 GLU 591 51.624 -5.686 -15.369 329 HB3 GLU 591 HB3 GLU 591 53.358 -5.812 -15.650 330 HG2 GLU 591 HG2 GLU 591 53.089 -8.090 -16.494 331 HG3 GLU 591 HG3 GLU 591 51.370 -8.054 -16.123 332 H LYS 592 HN LYS 592 51.297 -5.163 -12.809 333 HA LYS 592 HA LYS 592 53.356 -3.348 -12.127 334 HB2 LYS 592 HB2 LYS 592 50.550 -3.726 -11.084 335 HB3 LYS 592 HB3 LYS 592 51.627 -2.492 -10.435 336 HG2 LYS 592 HG2 LYS 592 51.878 -1.500 -12.664 337 HG3 LYS 592 HG3 LYS 592 50.860 -2.763 -13.360 338 HD2 LYS 592 HD2 LYS 592 48.957 -2.030 -12.065 339 HD3 LYS 592 HD3 LYS 592 49.945 -0.890 -11.157 340 HE2 LYS 592 HE2 LYS 592 48.700 0.328 -12.844 341 HE3 LYS 592 HE3 LYS 592 50.401 0.327 -13.309 342 HZ1 LYS 592 HZ1 LYS 592 49.769 -1.766 -14.620 343 HZ2 LYS 592 HZ2 LYS 592 49.300 -0.256 -15.243 344 HZ3 LYS 592 HZ3 LYS 592 48.168 -1.235 -14.438 345 H LYS 593 HN LYS 593 51.943 -6.076 -10.392 346 HA LYS 593 HA LYS 593 53.083 -5.594 -7.852 347 HB2 LYS 593 HB2 LYS 593 51.339 -7.406 -8.771 348 HB3 LYS 593 HB3 LYS 593 52.792 -8.390 -8.875 349 HG2 LYS 593 HG2 LYS 593 51.947 -6.922 -6.361 350 HG3 LYS 593 HG3 LYS 593 51.515 -8.597 -6.691 351 HD2 LYS 593 HD2 LYS 593 53.957 -9.116 -6.908 352 HD3 LYS 593 HD3 LYS 593 54.300 -7.465 -6.421 353 HE2 LYS 593 HE2 LYS 593 53.075 -7.836 -4.302 354 HE3 LYS 593 HE3 LYS 593 52.824 -9.518 -4.775 355 HZ1 LYS 593 HZ1 LYS 593 55.418 -9.390 -5.120 356 HZ2 LYS 593 HZ2 LYS 593 54.737 -9.735 -3.601 357 HZ3 LYS 593 HZ3 LYS 593 55.280 -8.163 -3.954 358 H GLU 594 HN GLU 594 54.254 -7.398 -10.637 359 HA GLU 594 HA GLU 594 56.656 -8.346 -9.547 360 HB2 GLU 594 HB2 GLU 594 55.617 -9.113 -11.666 361 HB3 GLU 594 HB3 GLU 594 56.069 -7.587 -12.418 362 HG2 GLU 594 HG2 GLU 594 57.770 -9.159 -13.016 363 HG3 GLU 594 HG3 GLU 594 58.472 -8.113 -11.792 364 H GLU 595 HN GLU 595 55.892 -5.212 -11.105 365 HA GLU 595 HA GLU 595 58.568 -4.309 -11.297 366 HB2 GLU 595 HB2 GLU 595 57.714 -2.350 -12.088 367 HB3 GLU 595 HB3 GLU 595 56.263 -3.314 -12.238 368 HG2 GLU 595 HG2 GLU 595 55.523 -1.302 -11.237 369 HG3 GLU 595 HG3 GLU 595 55.648 -2.397 -9.875 370 H TRP 596 HN TRP 596 56.163 -3.876 -8.732 371 HA TRP 596 HA TRP 596 57.781 -2.304 -7.022 372 HB2 TRP 596 HB2 TRP 596 55.453 -4.141 -6.423 373 HB3 TRP 596 HB3 TRP 596 56.250 -3.142 -5.208 374 HD1 TRP 596 HD1 TRP 596 53.703 -3.010 -7.921 375 HE1 TRP 596 HE1 TRP 596 52.771 -0.616 -8.136 376 HE3 TRP 596 HE3 TRP 596 57.062 -0.507 -5.006 377 HZ2 TRP 596 HZ2 TRP 596 53.379 2.029 -7.182 378 HZ3 TRP 596 HZ3 TRP 596 56.866 1.940 -4.677 379 HH2 TRP 596 HH2 TRP 596 55.034 3.209 -5.758 380 H ASP 597 HN ASP 597 57.352 -5.803 -7.343 381 HA ASP 597 HA ASP 597 58.838 -6.629 -5.095 382 HB2 ASP 597 HB2 ASP 597 57.360 -8.092 -6.488 383 HB3 ASP 597 HB3 ASP 597 58.569 -8.042 -7.765 384 H ARG 598 HN ARG 598 59.794 -6.000 -8.451 385 HA ARG 598 HA ARG 598 62.522 -6.715 -8.207 386 HB2 ARG 598 HB2 ARG 598 61.323 -6.463 -10.368 387 HB3 ARG 598 HB3 ARG 598 61.236 -4.725 -10.102 388 HG2 ARG 598 HG2 ARG 598 63.710 -4.615 -10.057 389 HG3 ARG 598 HG3 ARG 598 63.788 -6.354 -10.339 390 HD2 ARG 598 HD2 ARG 598 62.480 -5.992 -12.461 391 HD3 ARG 598 HD3 ARG 598 62.635 -4.257 -12.198 392 HE ARG 598 HE ARG 598 65.169 -5.638 -12.147 393 HH11 ARG 598 HH11 ARG 598 62.781 -4.152 -14.251 394 HH12 ARG 598 HH12 ARG 598 63.925 -3.863 -15.521 395 HH21 ARG 598 HH21 ARG 598 66.601 -5.252 -13.834 396 HH22 ARG 598 HH22 ARG 598 66.059 -4.480 -15.286 397 H LYS 599 HN LYS 599 60.820 -3.594 -7.801 398 HA LYS 599 HA LYS 599 63.115 -1.984 -7.382 399 HB2 LYS 599 HB2 LYS 599 60.302 -1.668 -6.297 400 HB3 LYS 599 HB3 LYS 599 61.559 -0.450 -6.148 401 HG2 LYS 599 HG2 LYS 599 60.555 -1.539 -8.795 402 HG3 LYS 599 HG3 LYS 599 59.971 -0.054 -8.054 403 HD2 LYS 599 HD2 LYS 599 62.293 0.855 -8.105 404 HD3 LYS 599 HD3 LYS 599 62.825 -0.615 -8.921 405 HE2 LYS 599 HE2 LYS 599 61.268 -0.159 -10.779 406 HE3 LYS 599 HE3 LYS 599 60.723 1.306 -9.965 407 HZ1 LYS 599 HZ1 LYS 599 62.389 2.380 -10.916 408 HZ2 LYS 599 HZ2 LYS 599 62.969 0.949 -11.623 409 HZ3 LYS 599 HZ3 LYS 599 63.509 1.415 -10.081 410 H ALA 600 HN ALA 600 61.054 -3.823 -5.166 411 HA ALA 600 HA ALA 600 62.240 -3.008 -2.746 412 HB1 ALA 600 HB1 ALA 600 60.830 -5.587 -3.474 413 HB2 ALA 600 HB2 ALA 600 60.100 -4.144 -2.769 414 HB3 ALA 600 HB3 ALA 600 61.243 -5.102 -1.829 415 H GLU 601 HN GLU 601 63.042 -5.635 -4.995 416 HA GLU 601 HA GLU 601 65.011 -6.882 -3.365 417 HB2 GLU 601 HB2 GLU 601 64.608 -6.860 -6.361 418 HB3 GLU 601 HB3 GLU 601 65.848 -7.817 -5.556 419 HG2 GLU 601 HG2 GLU 601 64.144 -9.005 -4.268 420 HG3 GLU 601 HG3 GLU 601 62.879 -8.001 -4.962 421 H ASP 602 HN ASP 602 65.184 -4.337 -5.851 422 HA ASP 602 HA ASP 602 68.011 -4.115 -5.895 423 HB2 ASP 602 HB2 ASP 602 65.758 -2.323 -6.732 424 HB3 ASP 602 HB3 ASP 602 67.387 -1.665 -6.651 425 H ALA 603 HN ALA 603 65.521 -2.582 -3.911 426 HA ALA 603 HA ALA 603 67.207 -0.711 -2.605 427 HB1 ALA 603 HB1 ALA 603 64.544 -1.952 -1.954 428 HB2 ALA 603 HB2 ALA 603 64.916 -0.278 -2.372 429 HB3 ALA 603 HB3 ALA 603 65.361 -0.911 -0.786 430 H ARG 604 HN ARG 604 66.269 -4.063 -1.866 431 HA ARG 604 HA ARG 604 67.539 -4.254 0.661 432 HB2 ARG 604 HB2 ARG 604 66.835 -6.353 -1.407 433 HB3 ARG 604 HB3 ARG 604 67.555 -6.750 0.151 434 HG2 ARG 604 HG2 ARG 604 65.676 -5.771 1.334 435 HG3 ARG 604 HG3 ARG 604 64.989 -5.167 -0.171 436 HD2 ARG 604 HD2 ARG 604 63.823 -7.206 0.502 437 HD3 ARG 604 HD3 ARG 604 64.729 -7.498 -0.975 438 HE ARG 604 HE ARG 604 66.158 -8.929 0.217 439 HH11 ARG 604 HH11 ARG 604 63.995 -7.290 2.439 440 HH12 ARG 604 HH12 ARG 604 64.350 -8.367 3.749 441 HH21 ARG 604 HH21 ARG 604 66.520 -10.346 1.936 442 HH22 ARG 604 HH22 ARG 604 65.757 -10.073 3.466 443 H ARG 605 HN ARG 605 68.667 -4.952 -2.647 444 HA ARG 605 HA ARG 605 71.261 -5.888 -1.915 445 HB2 ARG 605 HB2 ARG 605 70.234 -4.662 -4.495 446 HB3 ARG 605 HB3 ARG 605 71.853 -5.329 -4.304 447 HG2 ARG 605 HG2 ARG 605 70.918 -7.526 -3.771 448 HG3 ARG 605 HG3 ARG 605 69.282 -6.875 -3.857 449 HD2 ARG 605 HD2 ARG 605 69.801 -7.986 -5.965 450 HD3 ARG 605 HD3 ARG 605 69.690 -6.253 -6.237 451 HE ARG 605 HE ARG 605 71.998 -6.189 -6.641 452 HH11 ARG 605 HH11 ARG 605 71.049 -9.394 -5.570 453 HH12 ARG 605 HH12 ARG 605 72.562 -10.108 -6.015 454 HH21 ARG 605 HH21 ARG 605 73.948 -7.172 -7.193 455 HH22 ARG 605 HH22 ARG 605 74.181 -8.868 -6.918 456 H ASP 606 HN ASP 606 69.955 -2.705 -2.735 457 HA ASP 606 HA ASP 606 72.400 -1.288 -2.811 458 HB2 ASP 606 HB2 ASP 606 69.518 -0.535 -2.487 459 HB3 ASP 606 HB3 ASP 606 70.757 0.678 -2.191 460 H TYR 607 HN TYR 607 70.175 -2.040 -0.156 461 HA TYR 607 HA TYR 607 71.302 -0.364 1.824 462 HB2 TYR 607 HB2 TYR 607 69.123 -1.684 1.966 463 HB3 TYR 607 HB3 TYR 607 70.108 -3.099 2.322 464 HD1 TYR 607 HD1 TYR 607 71.712 -2.988 4.376 465 HD2 TYR 607 HD2 TYR 607 68.570 -0.135 3.668 466 HE1 TYR 607 HE1 TYR 607 71.764 -2.329 6.762 467 HE2 TYR 607 HE2 TYR 607 68.635 0.521 6.056 468 HH TYR 607 HH TYR 607 71.010 0.031 8.049 469 H GLU 608 HN GLU 608 71.956 -3.743 0.917 470 HA GLU 608 HA GLU 608 73.914 -4.360 2.818 471 HB2 GLU 608 HB2 GLU 608 73.629 -5.274 -0.060 472 HB3 GLU 608 HB3 GLU 608 74.751 -5.989 1.094 473 HG2 GLU 608 HG2 GLU 608 72.887 -6.634 2.548 474 HG3 GLU 608 HG3 GLU 608 71.743 -5.845 1.469 475 H LYS 609 HN LYS 609 74.184 -2.773 -0.352 476 HA LYS 609 HA LYS 609 77.008 -2.613 -0.463 477 HB2 LYS 609 HB2 LYS 609 74.860 -0.870 -1.692 478 HB3 LYS 609 HB3 LYS 609 76.577 -0.699 -2.050 479 HG2 LYS 609 HG2 LYS 609 76.650 -3.026 -2.859 480 HG3 LYS 609 HG3 LYS 609 74.938 -3.219 -2.479 481 HD2 LYS 609 HD2 LYS 609 74.419 -1.342 -4.047 482 HD3 LYS 609 HD3 LYS 609 76.125 -1.269 -4.479 483 HE2 LYS 609 HE2 LYS 609 74.402 -3.747 -4.797 484 HE3 LYS 609 HE3 LYS 609 74.731 -2.599 -6.092 485 HZ1 LYS 609 HZ1 LYS 609 77.190 -3.041 -5.350 486 HZ2 LYS 609 HZ2 LYS 609 76.398 -4.081 -6.437 487 HZ3 LYS 609 HZ3 LYS 609 76.533 -4.506 -4.797 488 H ALA 610 HN ALA 610 74.544 -0.416 0.854 489 HA ALA 610 HA ALA 610 76.275 1.712 1.560 490 HB1 ALA 610 HB1 ALA 610 73.894 2.092 1.510 491 HB2 ALA 610 HB2 ALA 610 74.452 2.341 3.164 492 HB3 ALA 610 HB3 ALA 610 73.622 0.847 2.729 493 H MET 611 HN MET 611 75.255 -1.211 3.277 494 HA MET 611 HA MET 611 76.395 -0.596 5.792 495 HB2 MET 611 HB2 MET 611 75.914 -3.292 4.490 496 HB3 MET 611 HB3 MET 611 76.293 -3.046 6.191 497 HG2 MET 611 HG2 MET 611 73.848 -1.998 4.739 498 HG3 MET 611 HG3 MET 611 73.872 -3.323 5.884 499 HE1 MET 611 HE1 MET 611 73.671 -3.078 8.390 500 HE2 MET 611 HE2 MET 611 74.486 -1.778 9.263 501 HE3 MET 611 HE3 MET 611 75.406 -2.806 8.165 502 H LYS 612 HN LYS 612 77.691 -2.129 2.867 503 HA LYS 612 HA LYS 612 80.166 -2.976 3.946 504 HB2 LYS 612 HB2 LYS 612 79.369 -2.245 1.116 505 HB3 LYS 612 HB3 LYS 612 80.947 -2.907 1.540 506 HG2 LYS 612 HG2 LYS 612 79.859 -4.905 2.494 507 HG3 LYS 612 HG3 LYS 612 78.276 -4.246 2.079 508 HD2 LYS 612 HD2 LYS 612 78.904 -4.243 -0.314 509 HD3 LYS 612 HD3 LYS 612 80.486 -4.901 0.101 510 HE2 LYS 612 HE2 LYS 612 79.409 -6.912 1.048 511 HE3 LYS 612 HE3 LYS 612 77.824 -6.254 0.647 512 HZ1 LYS 612 HZ1 LYS 612 79.929 -6.656 -1.399 513 HZ2 LYS 612 HZ2 LYS 612 78.262 -6.413 -1.636 514 HZ3 LYS 612 HZ3 LYS 612 78.826 -7.879 -0.986 515 H GLU 613 HN GLU 613 79.164 0.095 2.433 516 HA GLU 613 HA GLU 613 81.829 1.238 2.704 517 HB2 GLU 613 HB2 GLU 613 79.191 2.457 1.858 518 HB3 GLU 613 HB3 GLU 613 80.697 3.362 1.968 519 HG2 GLU 613 HG2 GLU 613 81.741 1.871 0.323 520 HG3 GLU 613 HG3 GLU 613 80.274 0.903 0.240 521 H TYR 614 HN TYR 614 78.927 1.034 4.583 522 HA TYR 614 HA TYR 614 79.150 3.328 6.201 523 HB2 TYR 614 HB2 TYR 614 77.141 1.878 6.103 524 HB3 TYR 614 HB3 TYR 614 78.034 0.595 6.906 525 HD1 TYR 614 HD1 TYR 614 77.396 0.342 9.137 526 HD2 TYR 614 HD2 TYR 614 77.607 4.310 7.495 527 HE1 TYR 614 HE1 TYR 614 76.759 1.286 11.335 528 HE2 TYR 614 HE2 TYR 614 76.979 5.253 9.701 529 HH TYR 614 HH TYR 614 76.935 4.693 12.002 530 H GLU 615 HN GLU 615 80.467 0.053 6.571 531 HA GLU 615 HA GLU 615 82.457 1.105 8.480 532 HB2 GLU 615 HB2 GLU 615 80.889 -1.477 8.742 533 HB3 GLU 615 HB3 GLU 615 82.298 -1.071 9.717 534 HG2 GLU 615 HG2 GLU 615 79.754 0.572 9.578 535 HG3 GLU 615 HG3 GLU 615 80.149 -0.554 10.867 536 H GLY 616 HN GLY 616 83.887 1.182 6.656 537 HA2 GLY 616 HA2 GLY 616 84.470 -1.039 4.990 538 HA3 GLY 616 HA3 GLY 616 85.504 0.366 5.225 539 H GLY 617 HN GLY 617 85.882 0.118 8.032 540 HA2 GLY 617 HA2 GLY 617 86.824 -1.337 9.673 541 HA3 GLY 617 HA3 GLY 617 87.180 -2.501 8.398 Start of MODEL 17 1 H MET 551 HT1 MET 551 54.045 -10.314 -0.260 2 HA MET 551 HA MET 551 53.126 -8.437 0.973 3 HB2 MET 551 HB2 MET 551 55.632 -9.710 2.108 4 HB3 MET 551 HB3 MET 551 54.493 -8.772 3.067 5 HG2 MET 551 HG2 MET 551 52.689 -10.348 2.477 6 HG3 MET 551 HG3 MET 551 53.824 -11.289 1.511 7 HE1 MET 551 HE1 MET 551 52.228 -12.772 3.432 8 HE2 MET 551 HE2 MET 551 53.295 -13.636 4.534 9 HE3 MET 551 HE3 MET 551 53.657 -13.615 2.811 10 H SER 552 HN SER 552 56.651 -8.209 0.457 11 HA SER 552 HA SER 552 56.976 -5.614 1.528 12 HB2 SER 552 HB2 SER 552 59.121 -5.593 0.323 13 HB3 SER 552 HB3 SER 552 58.873 -7.120 1.159 14 HG SER 552 HG SER 552 58.315 -8.063 -0.762 15 H ALA 553 HN ALA 553 56.164 -6.754 -1.721 16 HA ALA 553 HA ALA 553 56.415 -4.288 -3.094 17 HB1 ALA 553 HB1 ALA 553 54.753 -5.344 -4.696 18 HB2 ALA 553 HB2 ALA 553 54.664 -6.717 -3.592 19 HB3 ALA 553 HB3 ALA 553 56.193 -6.311 -4.378 20 H TYR 554 HN TYR 554 53.802 -5.785 -1.288 21 HA TYR 554 HA TYR 554 51.747 -3.929 -1.847 22 HB2 TYR 554 HB2 TYR 554 51.329 -6.170 -0.980 23 HB3 TYR 554 HB3 TYR 554 52.205 -5.794 0.494 24 HD1 TYR 554 HD1 TYR 554 51.211 -4.446 2.245 25 HD2 TYR 554 HD2 TYR 554 49.116 -5.175 -1.432 26 HE1 TYR 554 HE1 TYR 554 49.111 -3.633 3.283 27 HE2 TYR 554 HE2 TYR 554 47.016 -4.357 -0.401 28 HH TYR 554 HH TYR 554 46.051 -4.111 1.857 29 H MET 555 HN MET 555 54.165 -4.134 0.762 30 HA MET 555 HA MET 555 53.254 -1.991 2.351 31 HB2 MET 555 HB2 MET 555 54.892 -3.694 3.098 32 HB3 MET 555 HB3 MET 555 56.081 -3.025 1.994 33 HG2 MET 555 HG2 MET 555 54.775 -1.274 4.072 34 HG3 MET 555 HG3 MET 555 56.145 -2.292 4.500 35 HE1 MET 555 HE1 MET 555 58.578 -1.925 3.759 36 HE2 MET 555 HE2 MET 555 59.054 -0.967 2.361 37 HE3 MET 555 HE3 MET 555 58.043 -2.390 2.137 38 H LEU 556 HN LEU 556 55.705 -2.047 -0.263 39 HA LEU 556 HA LEU 556 56.388 0.702 -0.142 40 HB2 LEU 556 HB2 LEU 556 56.564 -1.362 -2.333 41 HB3 LEU 556 HB3 LEU 556 57.053 0.306 -2.599 42 HG LEU 556 HG LEU 556 58.162 -1.403 -0.356 43 HD11 LEU 556 HD11 LEU 556 59.310 -0.825 -3.103 44 HD12 LEU 556 HD12 LEU 556 58.707 -2.391 -2.559 45 HD13 LEU 556 HD13 LEU 556 60.143 -1.688 -1.810 46 HD21 LEU 556 HD21 LEU 556 58.447 0.991 0.029 47 HD22 LEU 556 HD22 LEU 556 59.005 1.226 -1.628 48 HD23 LEU 556 HD23 LEU 556 59.999 0.328 -0.481 49 H TRP 557 HN TRP 557 54.026 -1.076 -2.082 50 HA TRP 557 HA TRP 557 53.052 1.053 -3.664 51 HB2 TRP 557 HB2 TRP 557 52.699 -1.249 -4.276 52 HB3 TRP 557 HB3 TRP 557 51.879 -1.582 -2.766 53 HD1 TRP 557 HD1 TRP 557 51.266 -0.573 -6.291 54 HE1 TRP 557 HE1 TRP 557 48.747 -0.147 -6.654 55 HE3 TRP 557 HE3 TRP 557 49.681 -0.378 -1.431 56 HZ2 TRP 557 HZ2 TRP 557 46.367 0.212 -5.079 57 HZ3 TRP 557 HZ3 TRP 557 47.309 0.030 -0.910 58 HH2 TRP 557 HH2 TRP 557 45.642 0.316 -2.714 59 H LEU 558 HN LEU 558 52.019 -0.261 -0.547 60 HA LEU 558 HA LEU 558 49.688 1.286 -0.190 61 HB2 LEU 558 HB2 LEU 558 50.643 -0.777 1.141 62 HB3 LEU 558 HB3 LEU 558 51.395 0.459 2.134 63 HG LEU 558 HG LEU 558 48.420 0.117 1.605 64 HD11 LEU 558 HD11 LEU 558 48.305 -0.480 3.953 65 HD12 LEU 558 HD12 LEU 558 50.015 -0.105 4.168 66 HD13 LEU 558 HD13 LEU 558 49.534 -1.486 3.183 67 HD21 LEU 558 HD21 LEU 558 49.951 2.289 3.064 68 HD22 LEU 558 HD22 LEU 558 48.281 1.911 3.488 69 HD23 LEU 558 HD23 LEU 558 48.669 2.475 1.865 70 H ASN 559 HN ASN 559 53.091 1.870 0.736 71 HA ASN 559 HA ASN 559 52.657 4.207 2.250 72 HB2 ASN 559 HB2 ASN 559 55.008 3.185 0.678 73 HB3 ASN 559 HB3 ASN 559 55.069 4.739 1.499 74 HD21 ASN 559 HD21 ASN 559 56.746 2.494 2.215 75 HD22 ASN 559 HD22 ASN 559 56.324 2.017 3.787 76 H ALA 560 HN ALA 560 53.427 3.811 -1.198 77 HA ALA 560 HA ALA 560 53.360 6.613 -1.773 78 HB1 ALA 560 HB1 ALA 560 54.658 5.326 -3.256 79 HB2 ALA 560 HB2 ALA 560 53.215 5.733 -4.185 80 HB3 ALA 560 HB3 ALA 560 53.381 4.128 -3.472 81 H SER 561 HN SER 561 51.067 3.964 -2.063 82 HA SER 561 HA SER 561 49.037 5.470 -3.394 83 HB2 SER 561 HB2 SER 561 49.055 2.778 -2.055 84 HB3 SER 561 HB3 SER 561 47.591 3.476 -2.730 85 HG SER 561 HG SER 561 49.768 2.386 -3.983 86 H ARG 562 HN ARG 562 49.857 4.996 -0.034 87 HA ARG 562 HA ARG 562 47.409 5.422 1.220 88 HB2 ARG 562 HB2 ARG 562 49.458 4.759 2.405 89 HB3 ARG 562 HB3 ARG 562 50.140 6.358 2.139 90 HG2 ARG 562 HG2 ARG 562 48.315 7.346 3.467 91 HG3 ARG 562 HG3 ARG 562 47.624 5.743 3.721 92 HD2 ARG 562 HD2 ARG 562 50.421 6.555 4.561 93 HD3 ARG 562 HD3 ARG 562 49.034 6.544 5.643 94 HE ARG 562 HE ARG 562 49.266 4.005 4.421 95 HH11 ARG 562 HH11 ARG 562 50.960 6.006 6.747 96 HH12 ARG 562 HH12 ARG 562 51.610 4.652 7.608 97 HH21 ARG 562 HH21 ARG 562 50.125 2.272 5.589 98 HH22 ARG 562 HH22 ARG 562 51.143 2.567 6.960 99 H GLU 563 HN GLU 563 49.778 7.861 0.133 100 HA GLU 563 HA GLU 563 48.313 10.118 1.054 101 HB2 GLU 563 HB2 GLU 563 50.736 10.153 0.542 102 HB3 GLU 563 HB3 GLU 563 50.363 9.945 -1.165 103 HG2 GLU 563 HG2 GLU 563 49.134 12.076 -1.170 104 HG3 GLU 563 HG3 GLU 563 49.450 12.278 0.549 105 H LYS 564 HN LYS 564 48.476 8.433 -2.056 106 HA LYS 564 HA LYS 564 46.812 10.204 -3.518 107 HB2 LYS 564 HB2 LYS 564 47.409 7.262 -3.889 108 HB3 LYS 564 HB3 LYS 564 46.471 8.217 -5.030 109 HG2 LYS 564 HG2 LYS 564 48.391 9.728 -5.355 110 HG3 LYS 564 HG3 LYS 564 49.332 8.785 -4.201 111 HD2 LYS 564 HD2 LYS 564 49.128 6.799 -5.646 112 HD3 LYS 564 HD3 LYS 564 48.168 7.727 -6.796 113 HE2 LYS 564 HE2 LYS 564 50.085 9.259 -7.141 114 HE3 LYS 564 HE3 LYS 564 51.041 8.307 -6.009 115 HZ1 LYS 564 HZ1 LYS 564 50.412 7.789 -8.763 116 HZ2 LYS 564 HZ2 LYS 564 50.107 6.451 -7.761 117 HZ3 LYS 564 HZ3 LYS 564 51.653 7.153 -7.801 118 H ILE 565 HN ILE 565 46.102 7.208 -1.730 119 HA ILE 565 HA ILE 565 43.340 7.125 -2.337 120 HB ILE 565 HB ILE 565 44.888 5.867 -0.041 121 HG12 ILE 565 HG12 ILE 565 43.770 4.598 -2.561 122 HG13 ILE 565 HG13 ILE 565 45.419 5.195 -2.455 123 HG21 ILE 565 HG21 ILE 565 42.905 4.395 0.224 124 HG22 ILE 565 HG22 ILE 565 42.065 5.300 -1.035 125 HG23 ILE 565 HG23 ILE 565 42.460 6.081 0.492 126 HD11 ILE 565 HD11 ILE 565 45.548 3.681 -0.302 127 HD12 ILE 565 HD12 ILE 565 45.689 2.923 -1.888 128 HD13 ILE 565 HD13 ILE 565 44.156 2.868 -1.016 129 H LYS 566 HN LYS 566 45.134 8.420 0.457 130 HA LYS 566 HA LYS 566 42.869 9.216 1.953 131 HB2 LYS 566 HB2 LYS 566 45.336 9.003 2.703 132 HB3 LYS 566 HB3 LYS 566 45.524 10.637 2.075 133 HG2 LYS 566 HG2 LYS 566 43.791 11.462 3.579 134 HG3 LYS 566 HG3 LYS 566 43.452 9.824 4.135 135 HD2 LYS 566 HD2 LYS 566 45.764 9.659 5.014 136 HD3 LYS 566 HD3 LYS 566 46.068 11.314 4.495 137 HE2 LYS 566 HE2 LYS 566 44.304 12.130 5.998 138 HE3 LYS 566 HE3 LYS 566 43.938 10.478 6.487 139 HZ1 LYS 566 HZ1 LYS 566 45.917 10.284 7.631 140 HZ2 LYS 566 HZ2 LYS 566 45.501 11.902 7.937 141 HZ3 LYS 566 HZ3 LYS 566 46.676 11.531 6.768 142 H SER 567 HN SER 567 44.891 10.955 -0.398 143 HA SER 567 HA SER 567 43.576 13.466 -0.116 144 HB2 SER 567 HB2 SER 567 45.232 12.333 -2.377 145 HB3 SER 567 HB3 SER 567 44.673 14.000 -2.295 146 HG SER 567 HG SER 567 46.806 12.938 -1.165 147 H ASP 568 HN ASP 568 43.137 10.735 -2.334 148 HA ASP 568 HA ASP 568 41.107 11.999 -3.916 149 HB2 ASP 568 HB2 ASP 568 42.603 10.130 -4.670 150 HB3 ASP 568 HB3 ASP 568 41.681 9.051 -3.638 151 H HIS 569 HN HIS 569 41.104 9.954 -1.047 152 HA HIS 569 HA HIS 569 38.162 10.264 -0.891 153 HB2 HIS 569 HB2 HIS 569 39.625 7.894 0.287 154 HB3 HIS 569 HB3 HIS 569 37.892 8.098 0.061 155 HD2 HIS 569 HD2 HIS 569 41.051 7.698 -2.336 156 HE1 HIS 569 HE1 HIS 569 37.664 6.014 -4.210 157 HE2 HIS 569 HE2 HIS 569 40.160 6.397 -4.412 158 HA PRO 570 HA PRO 570 40.221 12.192 2.809 159 HB2 PRO 570 HB2 PRO 570 38.580 14.361 2.979 160 HB3 PRO 570 HB3 PRO 570 40.013 14.316 1.935 161 HG2 PRO 570 HG2 PRO 570 37.145 13.895 1.232 162 HG3 PRO 570 HG3 PRO 570 38.394 14.813 0.371 163 HD2 PRO 570 HD2 PRO 570 37.657 12.308 -0.392 164 HD3 PRO 570 HD3 PRO 570 39.317 12.915 -0.599 165 H GLY 571 HN GLY 571 39.575 11.963 4.918 166 HA2 GLY 571 HA2 GLY 571 38.050 11.816 6.707 167 HA3 GLY 571 HA3 GLY 571 36.740 11.628 5.552 168 H ILE 572 HN ILE 572 39.227 9.551 4.634 169 HA ILE 572 HA ILE 572 37.767 7.283 5.725 170 HB ILE 572 HB ILE 572 38.451 7.266 3.336 171 HG12 ILE 572 HG12 ILE 572 39.898 5.104 4.874 172 HG13 ILE 572 HG13 ILE 572 38.140 5.194 4.815 173 HG21 ILE 572 HG21 ILE 572 40.612 8.424 3.519 174 HG22 ILE 572 HG22 ILE 572 40.835 6.834 2.783 175 HG23 ILE 572 HG23 ILE 572 41.260 7.092 4.477 176 HD11 ILE 572 HD11 ILE 572 38.759 3.708 3.058 177 HD12 ILE 572 HD12 ILE 572 40.053 4.776 2.514 178 HD13 ILE 572 HD13 ILE 572 38.369 5.237 2.269 179 H SER 573 HN SER 573 38.442 5.977 7.302 180 HA SER 573 HA SER 573 40.510 6.876 9.051 181 HB2 SER 573 HB2 SER 573 39.756 5.220 10.528 182 HB3 SER 573 HB3 SER 573 38.308 5.633 9.616 183 HG SER 573 HG SER 573 38.487 3.422 9.616 184 H ILE 574 HN ILE 574 42.238 5.472 9.862 185 HA ILE 574 HA ILE 574 43.997 4.658 7.808 186 HB ILE 574 HB ILE 574 44.117 3.996 10.768 187 HG12 ILE 574 HG12 ILE 574 45.490 6.265 9.301 188 HG13 ILE 574 HG13 ILE 574 43.939 6.465 10.109 189 HG21 ILE 574 HG21 ILE 574 45.619 2.632 9.288 190 HG22 ILE 574 HG22 ILE 574 46.507 3.672 10.403 191 HG23 ILE 574 HG23 ILE 574 46.346 4.132 8.709 192 HD11 ILE 574 HD11 ILE 574 44.931 5.808 12.249 193 HD12 ILE 574 HD12 ILE 574 45.843 7.151 11.558 194 HD13 ILE 574 HD13 ILE 574 46.480 5.509 11.459 195 H THR 575 HN THR 575 41.997 2.830 10.078 196 HA THR 575 HA THR 575 42.792 0.240 9.335 197 HB THR 575 HB THR 575 40.033 1.063 10.260 198 HG1 THR 575 HG3 THR 575 42.434 0.623 11.703 199 HG21 THR 575 HG21 THR 575 40.029 -1.238 9.715 200 HG22 THR 575 HG22 THR 575 40.323 -1.207 11.454 201 HG23 THR 575 HG23 THR 575 41.662 -1.478 10.339 202 H ASP 576 HN ASP 576 40.174 2.328 8.140 203 HA ASP 576 HA ASP 576 39.120 0.491 6.248 204 HB2 ASP 576 HB2 ASP 576 38.923 3.452 6.647 205 HB3 ASP 576 HB3 ASP 576 38.343 2.747 5.142 206 H LEU 577 HN LEU 577 41.701 2.895 6.121 207 HA LEU 577 HA LEU 577 42.139 2.922 3.333 208 HB2 LEU 577 HB2 LEU 577 43.899 3.510 5.696 209 HB3 LEU 577 HB3 LEU 577 44.565 3.500 4.071 210 HG LEU 577 HG LEU 577 42.203 5.198 4.929 211 HD11 LEU 577 HD11 LEU 577 43.783 7.045 4.998 212 HD12 LEU 577 HD12 LEU 577 45.087 5.989 4.458 213 HD13 LEU 577 HD13 LEU 577 44.379 5.767 6.058 214 HD21 LEU 577 HD21 LEU 577 43.901 5.041 2.418 215 HD22 LEU 577 HD22 LEU 577 42.893 6.438 2.793 216 HD23 LEU 577 HD23 LEU 577 42.152 4.859 2.542 217 H SER 578 HN SER 578 43.448 0.875 5.916 218 HA SER 578 HA SER 578 45.333 -0.525 4.365 219 HB2 SER 578 HB2 SER 578 45.520 -0.719 6.719 220 HB3 SER 578 HB3 SER 578 43.838 -1.207 6.894 221 HG SER 578 HG SER 578 45.196 -3.006 7.027 222 H LYS 579 HN LYS 579 41.937 -1.263 5.132 223 HA LYS 579 HA LYS 579 41.830 -3.703 3.649 224 HB2 LYS 579 HB2 LYS 579 39.653 -1.813 4.565 225 HB3 LYS 579 HB3 LYS 579 39.336 -3.339 3.747 226 HG2 LYS 579 HG2 LYS 579 40.534 -4.546 5.540 227 HG3 LYS 579 HG3 LYS 579 40.829 -3.017 6.365 228 HD2 LYS 579 HD2 LYS 579 38.403 -2.651 6.572 229 HD3 LYS 579 HD3 LYS 579 38.095 -4.166 5.728 230 HE2 LYS 579 HE2 LYS 579 39.254 -5.401 7.523 231 HE3 LYS 579 HE3 LYS 579 39.566 -3.886 8.366 232 HZ1 LYS 579 HZ1 LYS 579 37.003 -5.276 7.937 233 HZ2 LYS 579 HZ2 LYS 579 37.026 -3.599 8.204 234 HZ3 LYS 579 HZ3 LYS 579 37.654 -4.657 9.375 235 H LYS 580 HN LYS 580 41.041 -0.343 2.928 236 HA LYS 580 HA LYS 580 39.949 -0.680 0.347 237 HB2 LYS 580 HB2 LYS 580 39.745 1.383 1.736 238 HB3 LYS 580 HB3 LYS 580 41.452 1.708 1.458 239 HG2 LYS 580 HG2 LYS 580 41.064 1.913 -0.940 240 HG3 LYS 580 HG3 LYS 580 39.372 1.462 -0.736 241 HD2 LYS 580 HD2 LYS 580 39.012 3.443 0.666 242 HD3 LYS 580 HD3 LYS 580 40.702 3.896 0.471 243 HE2 LYS 580 HE2 LYS 580 39.285 5.166 -1.071 244 HE3 LYS 580 HE3 LYS 580 40.356 4.101 -1.971 245 HZ1 LYS 580 HZ1 LYS 580 37.773 4.232 -2.439 246 HZ2 LYS 580 HZ2 LYS 580 37.740 3.053 -1.214 247 HZ3 LYS 580 HZ3 LYS 580 38.648 2.791 -2.626 248 H ALA 581 HN ALA 581 43.235 -0.186 1.499 249 HA ALA 581 HA ALA 581 44.526 0.209 -0.969 250 HB1 ALA 581 HB1 ALA 581 45.926 0.717 0.782 251 HB2 ALA 581 HB2 ALA 581 46.461 -0.940 0.494 252 HB3 ALA 581 HB3 ALA 581 45.315 -0.596 1.787 253 H GLY 582 HN GLY 582 43.772 -2.709 0.893 254 HA2 GLY 582 HA2 GLY 582 45.093 -4.574 -0.774 255 HA3 GLY 582 HA3 GLY 582 43.786 -4.940 0.348 256 H GLU 583 HN GLU 583 41.807 -3.222 -0.801 257 HA GLU 583 HA GLU 583 40.730 -4.923 -2.792 258 HB2 GLU 583 HB2 GLU 583 39.974 -2.117 -1.966 259 HB3 GLU 583 HB3 GLU 583 39.057 -3.077 -3.122 260 HG2 GLU 583 HG2 GLU 583 38.686 -4.808 -1.422 261 HG3 GLU 583 HG3 GLU 583 39.650 -3.901 -0.265 262 H ILE 584 HN ILE 584 42.378 -1.767 -3.026 263 HA ILE 584 HA ILE 584 41.975 -1.433 -5.805 264 HB ILE 584 HB ILE 584 44.117 -0.308 -3.968 265 HG12 ILE 584 HG12 ILE 584 41.663 0.978 -5.213 266 HG13 ILE 584 HG13 ILE 584 41.669 0.270 -3.602 267 HG21 ILE 584 HG21 ILE 584 44.929 -0.294 -6.307 268 HG22 ILE 584 HG22 ILE 584 44.507 1.345 -5.810 269 HG23 ILE 584 HG23 ILE 584 43.410 0.428 -6.842 270 HD11 ILE 584 HD11 ILE 584 43.148 1.904 -2.755 271 HD12 ILE 584 HD12 ILE 584 42.087 2.834 -3.817 272 HD13 ILE 584 HD13 ILE 584 43.699 2.368 -4.365 273 H TRP 585 HN TRP 585 44.623 -2.913 -3.964 274 HA TRP 585 HA TRP 585 46.381 -3.520 -6.054 275 HB2 TRP 585 HB2 TRP 585 45.954 -4.383 -3.294 276 HB3 TRP 585 HB3 TRP 585 46.462 -5.739 -4.290 277 HD1 TRP 585 HD1 TRP 585 47.909 -3.289 -2.213 278 HE1 TRP 585 HE1 TRP 585 50.354 -2.743 -2.876 279 HE3 TRP 585 HE3 TRP 585 47.973 -5.301 -6.866 280 HZ2 TRP 585 HZ2 TRP 585 52.105 -3.103 -5.175 281 HZ3 TRP 585 HZ3 TRP 585 50.003 -5.190 -8.277 282 HH2 TRP 585 HH2 TRP 585 52.046 -4.081 -7.427 283 H LYS 586 HN LYS 586 43.644 -5.352 -4.792 284 HA LYS 586 HA LYS 586 43.946 -7.671 -6.342 285 HB2 LYS 586 HB2 LYS 586 41.478 -6.391 -5.164 286 HB3 LYS 586 HB3 LYS 586 41.459 -7.960 -5.962 287 HG2 LYS 586 HG2 LYS 586 43.115 -8.812 -4.347 288 HG3 LYS 586 HG3 LYS 586 43.153 -7.244 -3.549 289 HD2 LYS 586 HD2 LYS 586 40.776 -7.437 -2.993 290 HD3 LYS 586 HD3 LYS 586 40.680 -8.968 -3.856 291 HE2 LYS 586 HE2 LYS 586 40.867 -9.469 -1.502 292 HE3 LYS 586 HE3 LYS 586 42.404 -9.886 -2.253 293 HZ1 LYS 586 HZ1 LYS 586 41.957 -7.227 -1.051 294 HZ2 LYS 586 HZ2 LYS 586 43.427 -8.010 -1.377 295 HZ3 LYS 586 HZ3 LYS 586 42.440 -8.543 -0.099 296 H GLY 587 HN GLY 587 42.308 -4.615 -7.100 297 HA2 GLY 587 HA2 GLY 587 41.237 -5.569 -9.614 298 HA3 GLY 587 HA3 GLY 587 41.218 -3.909 -9.034 299 H MET 588 HN MET 588 44.134 -3.896 -8.573 300 HA MET 588 HA MET 588 44.961 -3.041 -11.183 301 HB2 MET 588 HB2 MET 588 45.598 -1.927 -9.022 302 HB3 MET 588 HB3 MET 588 46.669 -3.288 -8.704 303 HG2 MET 588 HG2 MET 588 47.954 -2.819 -10.689 304 HG3 MET 588 HG3 MET 588 46.800 -1.596 -11.210 305 HE1 MET 588 HE1 MET 588 50.127 -1.509 -8.228 306 HE2 MET 588 HE2 MET 588 49.201 -2.878 -8.829 307 HE3 MET 588 HE3 MET 588 48.647 -2.013 -7.401 308 H SER 589 HN SER 589 46.765 -3.787 -12.356 309 HA SER 589 HA SER 589 46.835 -6.561 -12.778 310 HB2 SER 589 HB2 SER 589 48.592 -6.089 -14.384 311 HB3 SER 589 HB3 SER 589 47.363 -4.834 -14.479 312 HG SER 589 HG SER 589 49.788 -4.320 -14.275 313 H LYS 590 HN LYS 590 48.384 -8.108 -12.473 314 HA LYS 590 HA LYS 590 49.724 -8.222 -9.981 315 HB2 LYS 590 HB2 LYS 590 48.840 -10.177 -11.230 316 HB3 LYS 590 HB3 LYS 590 50.094 -9.949 -12.440 317 HG2 LYS 590 HG2 LYS 590 51.819 -10.310 -10.690 318 HG3 LYS 590 HG3 LYS 590 50.543 -10.583 -9.506 319 HD2 LYS 590 HD2 LYS 590 49.707 -12.480 -10.852 320 HD3 LYS 590 HD3 LYS 590 50.996 -12.210 -12.022 321 HE2 LYS 590 HE2 LYS 590 52.674 -12.626 -10.236 322 HE3 LYS 590 HE3 LYS 590 51.366 -12.949 -9.102 323 HZ1 LYS 590 HZ1 LYS 590 52.396 -14.951 -10.170 324 HZ2 LYS 590 HZ2 LYS 590 51.708 -14.447 -11.638 325 HZ3 LYS 590 HZ3 LYS 590 50.711 -14.843 -10.320 326 H GLU 591 HN GLU 591 50.785 -7.409 -13.230 327 HA GLU 591 HA GLU 591 53.552 -7.625 -13.013 328 HB2 GLU 591 HB2 GLU 591 51.929 -5.560 -14.513 329 HB3 GLU 591 HB3 GLU 591 53.652 -5.836 -14.743 330 HG2 GLU 591 HG2 GLU 591 51.490 -7.923 -15.155 331 HG3 GLU 591 HG3 GLU 591 52.262 -7.009 -16.444 332 H LYS 592 HN LYS 592 51.405 -5.082 -11.815 333 HA LYS 592 HA LYS 592 53.355 -3.120 -11.265 334 HB2 LYS 592 HB2 LYS 592 50.700 -3.698 -9.949 335 HB3 LYS 592 HB3 LYS 592 51.683 -2.293 -9.558 336 HG2 LYS 592 HG2 LYS 592 50.707 -2.937 -12.356 337 HG3 LYS 592 HG3 LYS 592 49.863 -1.858 -11.251 338 HD2 LYS 592 HD2 LYS 592 51.870 -0.413 -11.137 339 HD3 LYS 592 HD3 LYS 592 52.697 -1.479 -12.267 340 HE2 LYS 592 HE2 LYS 592 50.971 -1.023 -13.967 341 HE3 LYS 592 HE3 LYS 592 50.153 0.058 -12.839 342 HZ1 LYS 592 HZ1 LYS 592 52.358 1.263 -12.707 343 HZ2 LYS 592 HZ2 LYS 592 51.483 1.437 -14.153 344 HZ3 LYS 592 HZ3 LYS 592 52.815 0.383 -14.083 345 H LYS 593 HN LYS 593 52.205 -5.871 -9.352 346 HA LYS 593 HA LYS 593 53.553 -5.202 -6.944 347 HB2 LYS 593 HB2 LYS 593 51.746 -6.891 -7.160 348 HB3 LYS 593 HB3 LYS 593 52.871 -7.936 -8.022 349 HG2 LYS 593 HG2 LYS 593 54.336 -8.010 -6.063 350 HG3 LYS 593 HG3 LYS 593 53.251 -6.913 -5.202 351 HD2 LYS 593 HD2 LYS 593 51.435 -8.498 -5.412 352 HD3 LYS 593 HD3 LYS 593 52.475 -9.592 -6.321 353 HE2 LYS 593 HE2 LYS 593 53.941 -9.818 -4.351 354 HE3 LYS 593 HE3 LYS 593 52.900 -8.714 -3.452 355 HZ1 LYS 593 HZ1 LYS 593 51.058 -10.267 -3.811 356 HZ2 LYS 593 HZ2 LYS 593 52.328 -10.981 -2.939 357 HZ3 LYS 593 HZ3 LYS 593 52.114 -11.342 -4.585 358 H GLU 594 HN GLU 594 54.476 -7.070 -9.777 359 HA GLU 594 HA GLU 594 56.939 -8.058 -8.909 360 HB2 GLU 594 HB2 GLU 594 56.009 -7.258 -11.671 361 HB3 GLU 594 HB3 GLU 594 57.525 -8.093 -11.359 362 HG2 GLU 594 HG2 GLU 594 54.794 -9.142 -10.556 363 HG3 GLU 594 HG3 GLU 594 55.667 -9.644 -12.000 364 H GLU 595 HN GLU 595 56.144 -4.889 -10.439 365 HA GLU 595 HA GLU 595 58.862 -4.086 -10.635 366 HB2 GLU 595 HB2 GLU 595 58.088 -1.825 -11.036 367 HB3 GLU 595 HB3 GLU 595 57.134 -2.964 -11.963 368 HG2 GLU 595 HG2 GLU 595 55.250 -2.648 -10.639 369 HG3 GLU 595 HG3 GLU 595 56.143 -1.956 -9.301 370 H TRP 596 HN TRP 596 56.433 -3.571 -8.139 371 HA TRP 596 HA TRP 596 57.963 -1.894 -6.452 372 HB2 TRP 596 HB2 TRP 596 55.748 -3.846 -5.793 373 HB3 TRP 596 HB3 TRP 596 56.478 -2.768 -4.610 374 HD1 TRP 596 HD1 TRP 596 53.765 -2.907 -7.081 375 HE1 TRP 596 HE1 TRP 596 52.758 -0.571 -7.492 376 HE3 TRP 596 HE3 TRP 596 57.323 -0.037 -4.822 377 HZ2 TRP 596 HZ2 TRP 596 53.380 2.174 -6.899 378 HZ3 TRP 596 HZ3 TRP 596 57.090 2.428 -4.742 379 HH2 TRP 596 HH2 TRP 596 55.127 3.541 -5.777 380 H ASP 597 HN ASP 597 57.706 -5.424 -6.694 381 HA ASP 597 HA ASP 597 59.255 -6.116 -4.433 382 HB2 ASP 597 HB2 ASP 597 57.772 -7.634 -5.838 383 HB3 ASP 597 HB3 ASP 597 59.082 -7.683 -7.011 384 H ARG 598 HN ARG 598 60.109 -5.460 -7.809 385 HA ARG 598 HA ARG 598 62.851 -6.134 -7.669 386 HB2 ARG 598 HB2 ARG 598 61.329 -4.244 -9.469 387 HB3 ARG 598 HB3 ARG 598 63.047 -4.576 -9.661 388 HG2 ARG 598 HG2 ARG 598 62.594 -6.951 -9.988 389 HG3 ARG 598 HG3 ARG 598 60.878 -6.693 -9.685 390 HD2 ARG 598 HD2 ARG 598 61.272 -6.805 -12.099 391 HD3 ARG 598 HD3 ARG 598 60.776 -5.180 -11.649 392 HE ARG 598 HE ARG 598 62.920 -4.401 -12.165 393 HH11 ARG 598 HH11 ARG 598 62.842 -7.904 -12.350 394 HH12 ARG 598 HH12 ARG 598 64.382 -8.003 -13.134 395 HH21 ARG 598 HH21 ARG 598 64.917 -4.591 -13.177 396 HH22 ARG 598 HH22 ARG 598 65.542 -6.151 -13.593 397 H LYS 599 HN LYS 599 61.107 -3.080 -7.044 398 HA LYS 599 HA LYS 599 63.378 -1.427 -6.686 399 HB2 LYS 599 HB2 LYS 599 60.611 -1.239 -5.467 400 HB3 LYS 599 HB3 LYS 599 61.854 -0.016 -5.250 401 HG2 LYS 599 HG2 LYS 599 61.939 0.319 -7.704 402 HG3 LYS 599 HG3 LYS 599 60.662 -0.881 -7.901 403 HD2 LYS 599 HD2 LYS 599 59.147 0.495 -6.522 404 HD3 LYS 599 HD3 LYS 599 60.421 1.690 -6.304 405 HE2 LYS 599 HE2 LYS 599 60.463 2.091 -8.739 406 HE3 LYS 599 HE3 LYS 599 59.191 0.892 -8.958 407 HZ1 LYS 599 HZ1 LYS 599 58.570 3.378 -8.781 408 HZ2 LYS 599 HZ2 LYS 599 58.783 3.150 -7.111 409 HZ3 LYS 599 HZ3 LYS 599 57.629 2.234 -7.954 410 H ALA 600 HN ALA 600 61.472 -3.371 -4.419 411 HA ALA 600 HA ALA 600 62.846 -2.646 -2.065 412 HB1 ALA 600 HB1 ALA 600 60.591 -3.894 -2.370 413 HB2 ALA 600 HB2 ALA 600 61.620 -4.333 -1.008 414 HB3 ALA 600 HB3 ALA 600 61.587 -5.345 -2.452 415 H GLU 601 HN GLU 601 63.340 -5.304 -4.374 416 HA GLU 601 HA GLU 601 65.408 -6.612 -2.932 417 HB2 GLU 601 HB2 GLU 601 64.712 -6.602 -5.868 418 HB3 GLU 601 HB3 GLU 601 65.999 -7.586 -5.183 419 HG2 GLU 601 HG2 GLU 601 63.106 -7.685 -4.287 420 HG3 GLU 601 HG3 GLU 601 63.836 -8.825 -5.409 421 H ASP 602 HN ASP 602 65.450 -4.117 -5.479 422 HA ASP 602 HA ASP 602 68.257 -3.989 -5.796 423 HB2 ASP 602 HB2 ASP 602 66.007 -2.101 -6.389 424 HB3 ASP 602 HB3 ASP 602 67.663 -1.510 -6.470 425 H ALA 603 HN ALA 603 66.043 -2.394 -3.560 426 HA ALA 603 HA ALA 603 67.874 -0.561 -2.441 427 HB1 ALA 603 HB1 ALA 603 65.468 -0.353 -2.074 428 HB2 ALA 603 HB2 ALA 603 66.304 -0.495 -0.527 429 HB3 ALA 603 HB3 ALA 603 65.453 -1.884 -1.200 430 H ARG 604 HN ARG 604 67.013 -3.909 -1.584 431 HA ARG 604 HA ARG 604 68.578 -4.111 0.760 432 HB2 ARG 604 HB2 ARG 604 67.674 -6.201 -1.228 433 HB3 ARG 604 HB3 ARG 604 68.545 -6.595 0.249 434 HG2 ARG 604 HG2 ARG 604 66.758 -5.522 1.587 435 HG3 ARG 604 HG3 ARG 604 65.881 -5.146 0.103 436 HD2 ARG 604 HD2 ARG 604 65.719 -7.541 -0.422 437 HD3 ARG 604 HD3 ARG 604 66.634 -7.935 1.024 438 HE ARG 604 HE ARG 604 64.728 -7.493 2.321 439 HH11 ARG 604 HH11 ARG 604 64.138 -6.591 -1.014 440 HH12 ARG 604 HH12 ARG 604 62.426 -6.468 -0.791 441 HH21 ARG 604 HH21 ARG 604 62.486 -7.377 2.538 442 HH22 ARG 604 HH22 ARG 604 61.505 -6.909 1.190 443 H ARG 605 HN ARG 605 69.323 -4.817 -2.654 444 HA ARG 605 HA ARG 605 71.988 -5.717 -2.252 445 HB2 ARG 605 HB2 ARG 605 70.561 -4.553 -4.642 446 HB3 ARG 605 HB3 ARG 605 72.263 -4.992 -4.701 447 HG2 ARG 605 HG2 ARG 605 71.709 -7.301 -4.078 448 HG3 ARG 605 HG3 ARG 605 70.001 -6.876 -3.972 449 HD2 ARG 605 HD2 ARG 605 71.626 -6.470 -6.492 450 HD3 ARG 605 HD3 ARG 605 70.756 -7.962 -6.168 451 HE ARG 605 HE ARG 605 69.593 -5.364 -6.831 452 HH11 ARG 605 HH11 ARG 605 69.024 -8.624 -5.672 453 HH12 ARG 605 HH12 ARG 605 67.346 -8.601 -6.086 454 HH21 ARG 605 HH21 ARG 605 67.399 -5.394 -7.370 455 HH22 ARG 605 HH22 ARG 605 66.436 -6.790 -7.026 456 H ASP 606 HN ASP 606 70.570 -2.542 -2.836 457 HA ASP 606 HA ASP 606 72.951 -1.078 -3.198 458 HB2 ASP 606 HB2 ASP 606 70.629 -0.308 -3.749 459 HB3 ASP 606 HB3 ASP 606 70.354 -0.066 -2.029 460 H TYR 607 HN TYR 607 71.156 -1.979 -0.272 461 HA TYR 607 HA TYR 607 72.565 -0.351 1.575 462 HB2 TYR 607 HB2 TYR 607 70.955 -2.873 1.782 463 HB3 TYR 607 HB3 TYR 607 71.943 -2.396 3.155 464 HD1 TYR 607 HD1 TYR 607 70.584 -1.483 4.808 465 HD2 TYR 607 HD2 TYR 607 69.856 -0.384 0.712 466 HE1 TYR 607 HE1 TYR 607 68.808 0.083 5.535 467 HE2 TYR 607 HE2 TYR 607 68.081 1.177 1.446 468 HH TYR 607 HH TYR 607 67.522 2.458 3.558 469 H GLU 608 HN GLU 608 73.073 -3.669 0.436 470 HA GLU 608 HA GLU 608 75.310 -4.314 2.013 471 HB2 GLU 608 HB2 GLU 608 74.548 -5.247 -0.765 472 HB3 GLU 608 HB3 GLU 608 75.818 -5.974 0.211 473 HG2 GLU 608 HG2 GLU 608 72.926 -5.752 1.094 474 HG3 GLU 608 HG3 GLU 608 73.607 -7.181 0.329 475 H LYS 609 HN LYS 609 75.042 -2.818 -1.201 476 HA LYS 609 HA LYS 609 77.803 -2.645 -1.770 477 HB2 LYS 609 HB2 LYS 609 75.472 -0.969 -2.726 478 HB3 LYS 609 HB3 LYS 609 77.109 -0.810 -3.353 479 HG2 LYS 609 HG2 LYS 609 77.072 -3.186 -4.036 480 HG3 LYS 609 HG3 LYS 609 75.427 -3.330 -3.427 481 HD2 LYS 609 HD2 LYS 609 74.688 -1.595 -5.030 482 HD3 LYS 609 HD3 LYS 609 76.334 -1.474 -5.649 483 HE2 LYS 609 HE2 LYS 609 76.262 -3.840 -6.330 484 HE3 LYS 609 HE3 LYS 609 74.626 -3.981 -5.693 485 HZ1 LYS 609 HZ1 LYS 609 74.110 -3.500 -7.820 486 HZ2 LYS 609 HZ2 LYS 609 75.573 -2.693 -8.126 487 HZ3 LYS 609 HZ3 LYS 609 74.318 -1.900 -7.300 488 H ALA 610 HN ALA 610 75.560 -0.377 -0.215 489 HA ALA 610 HA ALA 610 77.370 1.773 0.107 490 HB1 ALA 610 HB1 ALA 610 74.820 0.971 1.476 491 HB2 ALA 610 HB2 ALA 610 75.128 2.356 0.428 492 HB3 ALA 610 HB3 ALA 610 75.767 2.335 2.073 493 H MET 611 HN MET 611 76.572 -1.006 2.128 494 HA MET 611 HA MET 611 78.047 -0.285 4.424 495 HB2 MET 611 HB2 MET 611 77.141 -2.930 3.291 496 HB3 MET 611 HB3 MET 611 78.066 -2.831 4.786 497 HG2 MET 611 HG2 MET 611 75.454 -1.364 4.292 498 HG3 MET 611 HG3 MET 611 75.585 -2.885 5.169 499 HE1 MET 611 HE1 MET 611 74.808 0.284 7.450 500 HE2 MET 611 HE2 MET 611 74.287 -0.336 5.886 501 HE3 MET 611 HE3 MET 611 75.414 1.017 5.957 502 H LYS 612 HN LYS 612 78.909 -2.026 1.465 503 HA LYS 612 HA LYS 612 81.501 -2.854 2.224 504 HB2 LYS 612 HB2 LYS 612 80.243 -3.776 0.289 505 HB3 LYS 612 HB3 LYS 612 80.469 -2.252 -0.560 506 HG2 LYS 612 HG2 LYS 612 82.906 -2.549 -0.491 507 HG3 LYS 612 HG3 LYS 612 82.711 -4.043 0.423 508 HD2 LYS 612 HD2 LYS 612 81.467 -5.032 -1.467 509 HD3 LYS 612 HD3 LYS 612 81.679 -3.542 -2.383 510 HE2 LYS 612 HE2 LYS 612 84.119 -3.820 -2.297 511 HE3 LYS 612 HE3 LYS 612 83.931 -5.290 -1.344 512 HZ1 LYS 612 HZ1 LYS 612 84.221 -5.976 -3.558 513 HZ2 LYS 612 HZ2 LYS 612 83.127 -4.822 -4.158 514 HZ3 LYS 612 HZ3 LYS 612 82.560 -6.146 -3.256 515 H GLU 613 HN GLU 613 80.327 0.136 0.695 516 HA GLU 613 HA GLU 613 82.883 1.244 0.116 517 HB2 GLU 613 HB2 GLU 613 80.750 2.039 -0.890 518 HB3 GLU 613 HB3 GLU 613 80.291 2.707 0.672 519 HG2 GLU 613 HG2 GLU 613 82.257 4.182 0.640 520 HG3 GLU 613 HG3 GLU 613 82.773 3.488 -0.891 521 H TYR 614 HN TYR 614 80.690 1.557 2.912 522 HA TYR 614 HA TYR 614 82.226 3.430 4.374 523 HB2 TYR 614 HB2 TYR 614 80.258 1.314 5.250 524 HB3 TYR 614 HB3 TYR 614 81.059 2.386 6.392 525 HD1 TYR 614 HD1 TYR 614 78.226 1.999 4.299 526 HD2 TYR 614 HD2 TYR 614 80.937 4.976 5.803 527 HE1 TYR 614 HE1 TYR 614 76.528 3.757 3.877 528 HE2 TYR 614 HE2 TYR 614 79.235 6.737 5.378 529 HH TYR 614 HH TYR 614 76.697 6.417 3.421 530 H GLU 615 HN GLU 615 82.193 -0.113 4.336 531 HA GLU 615 HA GLU 615 83.707 -1.694 5.029 532 HB2 GLU 615 HB2 GLU 615 85.674 0.611 5.069 533 HB3 GLU 615 HB3 GLU 615 86.079 -1.100 5.116 534 HG2 GLU 615 HG2 GLU 615 85.073 -1.412 2.898 535 HG3 GLU 615 HG3 GLU 615 84.632 0.291 2.851 536 H GLY 616 HN GLY 616 82.619 -2.019 7.010 537 HA2 GLY 616 HA2 GLY 616 82.673 -2.341 9.304 538 HA3 GLY 616 HA3 GLY 616 84.214 -1.493 9.339 539 H GLY 617 HN GLY 617 83.127 -0.706 11.380 540 HA2 GLY 617 HA2 GLY 617 82.509 1.240 12.483 541 HA3 GLY 617 HA3 GLY 617 82.126 1.972 10.927 Start of MODEL 18 1 H MET 551 HT1 MET 551 56.091 -8.830 -0.180 2 HA MET 551 HA MET 551 53.920 -7.614 1.442 3 HB2 MET 551 HB2 MET 551 56.659 -8.712 2.145 4 HB3 MET 551 HB3 MET 551 55.650 -7.798 3.260 5 HG2 MET 551 HG2 MET 551 54.939 -10.458 1.977 6 HG3 MET 551 HG3 MET 551 55.385 -10.206 3.663 7 HE1 MET 551 HE1 MET 551 52.439 -8.241 5.179 8 HE2 MET 551 HE2 MET 551 53.900 -7.531 4.500 9 HE3 MET 551 HE3 MET 551 54.004 -9.024 5.429 10 H SER 552 HN SER 552 57.317 -7.333 0.352 11 HA SER 552 HA SER 552 57.716 -4.669 1.189 12 HB2 SER 552 HB2 SER 552 59.037 -6.202 -1.055 13 HB3 SER 552 HB3 SER 552 59.600 -4.656 -0.427 14 HG SER 552 HG SER 552 60.437 -6.798 0.465 15 H ALA 553 HN ALA 553 56.548 -6.017 -1.875 16 HA ALA 553 HA ALA 553 56.437 -3.599 -3.346 17 HB1 ALA 553 HB1 ALA 553 54.585 -5.995 -3.602 18 HB2 ALA 553 HB2 ALA 553 56.197 -5.911 -4.312 19 HB3 ALA 553 HB3 ALA 553 54.941 -4.795 -4.844 20 H TYR 554 HN TYR 554 54.179 -5.204 -1.193 21 HA TYR 554 HA TYR 554 51.934 -3.532 -1.569 22 HB2 TYR 554 HB2 TYR 554 51.792 -5.753 -0.569 23 HB3 TYR 554 HB3 TYR 554 52.828 -5.254 0.758 24 HD1 TYR 554 HD1 TYR 554 51.915 -4.267 2.707 25 HD2 TYR 554 HD2 TYR 554 49.527 -4.564 -0.856 26 HE1 TYR 554 HE1 TYR 554 49.911 -3.561 3.992 27 HE2 TYR 554 HE2 TYR 554 47.524 -3.850 0.427 28 HH TYR 554 HH TYR 554 46.983 -2.646 2.460 29 H MET 555 HN MET 555 54.629 -3.462 0.779 30 HA MET 555 HA MET 555 53.709 -1.294 2.326 31 HB2 MET 555 HB2 MET 555 56.441 -2.460 1.826 32 HB3 MET 555 HB3 MET 555 56.248 -1.007 2.804 33 HG2 MET 555 HG2 MET 555 54.797 -2.183 4.371 34 HG3 MET 555 HG3 MET 555 54.784 -3.613 3.341 35 HE1 MET 555 HE1 MET 555 58.081 -1.461 3.750 36 HE2 MET 555 HE2 MET 555 58.722 -2.052 5.283 37 HE3 MET 555 HE3 MET 555 57.221 -1.130 5.260 38 H LEU 556 HN LEU 556 55.933 -1.348 -0.481 39 HA LEU 556 HA LEU 556 56.408 1.453 -0.536 40 HB2 LEU 556 HB2 LEU 556 56.549 -0.548 -2.816 41 HB3 LEU 556 HB3 LEU 556 57.220 1.079 -2.842 42 HG LEU 556 HG LEU 556 58.072 -1.140 -0.947 43 HD11 LEU 556 HD11 LEU 556 59.417 0.085 -3.376 44 HD12 LEU 556 HD12 LEU 556 58.767 -1.548 -3.266 45 HD13 LEU 556 HD13 LEU 556 60.168 -1.092 -2.298 46 HD21 LEU 556 HD21 LEU 556 58.513 0.904 0.205 47 HD22 LEU 556 HD22 LEU 556 58.969 1.737 -1.284 48 HD23 LEU 556 HD23 LEU 556 60.041 0.520 -0.591 49 H TRP 557 HN TRP 557 54.099 -0.628 -2.205 50 HA TRP 557 HA TRP 557 52.899 1.297 -3.894 51 HB2 TRP 557 HB2 TRP 557 52.712 -1.107 -4.243 52 HB3 TRP 557 HB3 TRP 557 51.909 -1.299 -2.699 53 HD1 TRP 557 HD1 TRP 557 51.238 -0.678 -6.323 54 HE1 TRP 557 HE1 TRP 557 48.697 -0.443 -6.689 55 HE3 TRP 557 HE3 TRP 557 49.674 -0.151 -1.490 56 HZ2 TRP 557 HZ2 TRP 557 46.328 -0.100 -5.146 57 HZ3 TRP 557 HZ3 TRP 557 47.280 0.143 -0.980 58 HH2 TRP 557 HH2 TRP 557 45.591 0.165 -2.794 59 H LEU 558 HN LEU 558 52.059 0.120 -0.652 60 HA LEU 558 HA LEU 558 49.672 1.584 -0.298 61 HB2 LEU 558 HB2 LEU 558 50.771 -0.369 1.101 62 HB3 LEU 558 HB3 LEU 558 51.477 0.950 2.017 63 HG LEU 558 HG LEU 558 48.512 0.446 1.567 64 HD11 LEU 558 HD11 LEU 558 50.371 0.129 3.937 65 HD12 LEU 558 HD12 LEU 558 49.404 -1.121 3.153 66 HD13 LEU 558 HD13 LEU 558 48.615 0.141 4.102 67 HD21 LEU 558 HD21 LEU 558 48.314 2.270 3.390 68 HD22 LEU 558 HD22 LEU 558 48.709 2.824 1.765 69 HD23 LEU 558 HD23 LEU 558 49.977 2.694 2.984 70 H ASN 559 HN ASN 559 53.070 2.350 0.485 71 HA ASN 559 HA ASN 559 52.583 4.738 1.895 72 HB2 ASN 559 HB2 ASN 559 54.740 3.590 1.938 73 HB3 ASN 559 HB3 ASN 559 54.967 3.918 0.223 74 HD21 ASN 559 HD21 ASN 559 56.554 5.478 0.074 75 HD22 ASN 559 HD22 ASN 559 56.622 6.900 1.008 76 H ALA 560 HN ALA 560 53.272 4.190 -1.550 77 HA ALA 560 HA ALA 560 53.056 6.955 -2.258 78 HB1 ALA 560 HB1 ALA 560 53.074 6.097 -4.586 79 HB2 ALA 560 HB2 ALA 560 52.965 4.452 -3.956 80 HB3 ALA 560 HB3 ALA 560 54.386 5.437 -3.609 81 H SER 561 HN SER 561 50.882 4.195 -2.324 82 HA SER 561 HA SER 561 48.750 5.532 -3.674 83 HB2 SER 561 HB2 SER 561 48.918 2.924 -2.183 84 HB3 SER 561 HB3 SER 561 47.415 3.514 -2.887 85 HG SER 561 HG SER 561 48.214 3.250 -4.856 86 H ARG 562 HN ARG 562 49.682 5.296 -0.320 87 HA ARG 562 HA ARG 562 47.255 5.648 0.989 88 HB2 ARG 562 HB2 ARG 562 49.379 5.164 2.135 89 HB3 ARG 562 HB3 ARG 562 49.957 6.786 1.763 90 HG2 ARG 562 HG2 ARG 562 48.077 7.731 3.096 91 HG3 ARG 562 HG3 ARG 562 47.549 6.092 3.490 92 HD2 ARG 562 HD2 ARG 562 49.723 5.645 4.569 93 HD3 ARG 562 HD3 ARG 562 50.258 7.278 4.176 94 HE ARG 562 HE ARG 562 47.798 7.204 5.697 95 HH11 ARG 562 HH11 ARG 562 51.291 7.184 5.935 96 HH12 ARG 562 HH12 ARG 562 51.302 7.829 7.541 97 HH21 ARG 562 HH21 ARG 562 47.859 8.059 7.779 98 HH22 ARG 562 HH22 ARG 562 49.372 8.323 8.575 99 H GLU 563 HN GLU 563 49.443 8.162 -0.304 100 HA GLU 563 HA GLU 563 47.847 10.353 0.559 101 HB2 GLU 563 HB2 GLU 563 49.926 10.147 -1.627 102 HB3 GLU 563 HB3 GLU 563 49.170 11.659 -1.128 103 HG2 GLU 563 HG2 GLU 563 50.046 11.378 1.153 104 HG3 GLU 563 HG3 GLU 563 50.754 9.827 0.707 105 H LYS 564 HN LYS 564 48.062 8.551 -2.475 106 HA LYS 564 HA LYS 564 46.274 10.134 -3.994 107 HB2 LYS 564 HB2 LYS 564 47.876 8.486 -4.946 108 HB3 LYS 564 HB3 LYS 564 46.902 7.180 -4.278 109 HG2 LYS 564 HG2 LYS 564 44.990 7.860 -5.666 110 HG3 LYS 564 HG3 LYS 564 45.913 9.224 -6.300 111 HD2 LYS 564 HD2 LYS 564 47.580 7.651 -7.252 112 HD3 LYS 564 HD3 LYS 564 46.637 6.291 -6.641 113 HE2 LYS 564 HE2 LYS 564 44.717 6.983 -8.026 114 HE3 LYS 564 HE3 LYS 564 45.639 8.359 -8.627 115 HZ1 LYS 564 HZ1 LYS 564 45.726 6.569 -10.207 116 HZ2 LYS 564 HZ2 LYS 564 46.292 5.488 -9.028 117 HZ3 LYS 564 HZ3 LYS 564 47.268 6.781 -9.535 118 H ILE 565 HN ILE 565 45.769 7.177 -2.086 119 HA ILE 565 HA ILE 565 43.006 6.928 -2.642 120 HB ILE 565 HB ILE 565 44.653 5.836 -0.327 121 HG12 ILE 565 HG12 ILE 565 43.582 4.419 -2.792 122 HG13 ILE 565 HG13 ILE 565 45.193 5.128 -2.736 123 HG21 ILE 565 HG21 ILE 565 42.750 4.267 0.003 124 HG22 ILE 565 HG22 ILE 565 41.855 5.088 -1.275 125 HG23 ILE 565 HG23 ILE 565 42.222 5.936 0.222 126 HD11 ILE 565 HD11 ILE 565 45.453 2.795 -2.170 127 HD12 ILE 565 HD12 ILE 565 44.120 2.864 -1.019 128 HD13 ILE 565 HD13 ILE 565 45.633 3.698 -0.665 129 H LYS 566 HN LYS 566 44.780 8.386 0.092 130 HA LYS 566 HA LYS 566 42.503 9.106 1.599 131 HB2 LYS 566 HB2 LYS 566 44.818 9.010 2.505 132 HB3 LYS 566 HB3 LYS 566 45.215 10.456 1.580 133 HG2 LYS 566 HG2 LYS 566 43.544 11.755 2.813 134 HG3 LYS 566 HG3 LYS 566 43.028 10.309 3.685 135 HD2 LYS 566 HD2 LYS 566 45.291 10.092 4.666 136 HD3 LYS 566 HD3 LYS 566 45.800 11.549 3.812 137 HE2 LYS 566 HE2 LYS 566 44.110 12.869 5.027 138 HE3 LYS 566 HE3 LYS 566 43.565 11.417 5.866 139 HZ1 LYS 566 HZ1 LYS 566 45.971 13.006 6.274 140 HZ2 LYS 566 HZ2 LYS 566 46.150 11.325 6.420 141 HZ3 LYS 566 HZ3 LYS 566 45.035 12.149 7.397 142 H SER 567 HN SER 567 44.384 10.885 -0.827 143 HA SER 567 HA SER 567 42.881 13.302 -0.593 144 HB2 SER 567 HB2 SER 567 44.578 12.327 -2.900 145 HB3 SER 567 HB3 SER 567 44.007 13.977 -2.657 146 HG SER 567 HG SER 567 45.932 14.035 -1.703 147 H ASP 568 HN ASP 568 42.684 10.479 -2.711 148 HA ASP 568 HA ASP 568 40.619 11.533 -4.394 149 HB2 ASP 568 HB2 ASP 568 41.647 8.731 -3.942 150 HB3 ASP 568 HB3 ASP 568 40.396 9.125 -5.117 151 H HIS 569 HN HIS 569 40.658 9.781 -1.362 152 HA HIS 569 HA HIS 569 37.699 9.842 -1.348 153 HB2 HIS 569 HB2 HIS 569 39.311 7.656 -0.017 154 HB3 HIS 569 HB3 HIS 569 37.564 7.737 -0.221 155 HD2 HIS 569 HD2 HIS 569 40.708 7.425 -2.652 156 HE1 HIS 569 HE1 HIS 569 37.429 5.373 -4.339 157 HE2 HIS 569 HE2 HIS 569 39.889 5.932 -4.633 158 HA PRO 570 HA PRO 570 39.544 12.136 2.280 159 HB2 PRO 570 HB2 PRO 570 37.288 13.980 1.713 160 HB3 PRO 570 HB3 PRO 570 39.007 14.344 1.955 161 HG2 PRO 570 HG2 PRO 570 37.909 14.525 -0.448 162 HG3 PRO 570 HG3 PRO 570 39.547 13.877 -0.239 163 HD2 PRO 570 HD2 PRO 570 36.973 12.363 -0.645 164 HD3 PRO 570 HD3 PRO 570 38.553 12.118 -1.430 165 H GLY 571 HN GLY 571 38.818 12.022 4.370 166 HA2 GLY 571 HA2 GLY 571 37.268 11.846 6.121 167 HA3 GLY 571 HA3 GLY 571 35.993 11.595 4.939 168 H ILE 572 HN ILE 572 38.607 9.561 4.219 169 HA ILE 572 HA ILE 572 37.133 7.287 5.285 170 HB ILE 572 HB ILE 572 37.934 7.209 2.941 171 HG12 ILE 572 HG12 ILE 572 39.384 5.165 4.637 172 HG13 ILE 572 HG13 ILE 572 37.629 5.175 4.469 173 HG21 ILE 572 HG21 ILE 572 40.055 8.479 3.279 174 HG22 ILE 572 HG22 ILE 572 40.322 6.934 2.464 175 HG23 ILE 572 HG23 ILE 572 40.704 7.107 4.178 176 HD11 ILE 572 HD11 ILE 572 37.767 4.799 2.098 177 HD12 ILE 572 HD12 ILE 572 38.851 3.635 2.860 178 HD13 ILE 572 HD13 ILE 572 39.508 5.081 2.094 179 H SER 573 HN SER 573 37.747 6.041 6.926 180 HA SER 573 HA SER 573 39.597 7.032 8.832 181 HB2 SER 573 HB2 SER 573 38.053 4.461 8.580 182 HB3 SER 573 HB3 SER 573 39.200 4.721 9.893 183 HG SER 573 HG SER 573 37.513 5.655 10.771 184 H ILE 574 HN ILE 574 41.480 5.979 9.659 185 HA ILE 574 HA ILE 574 43.395 5.290 7.694 186 HB ILE 574 HB ILE 574 43.512 4.738 10.670 187 HG12 ILE 574 HG12 ILE 574 42.972 7.114 10.276 188 HG13 ILE 574 HG13 ILE 574 44.613 6.948 10.888 189 HG21 ILE 574 HG21 ILE 574 45.636 4.950 8.525 190 HG22 ILE 574 HG22 ILE 574 45.312 3.596 9.609 191 HG23 ILE 574 HG23 ILE 574 46.010 5.085 10.244 192 HD11 ILE 574 HD11 ILE 574 43.895 7.305 7.951 193 HD12 ILE 574 HD12 ILE 574 45.523 7.255 8.623 194 HD13 ILE 574 HD13 ILE 574 44.452 8.600 9.010 195 H THR 575 HN THR 575 41.577 3.348 10.025 196 HA THR 575 HA THR 575 42.734 0.846 9.447 197 HB THR 575 HB THR 575 39.879 1.332 10.311 198 HG1 THR 575 HG3 THR 575 40.620 1.783 12.248 199 HG21 THR 575 HG21 THR 575 41.863 -0.925 10.667 200 HG22 THR 575 HG22 THR 575 40.310 -0.982 9.832 201 HG23 THR 575 HG23 THR 575 40.362 -0.804 11.586 202 H ASP 576 HN ASP 576 39.906 2.522 8.103 203 HA ASP 576 HA ASP 576 39.089 0.460 6.339 204 HB2 ASP 576 HB2 ASP 576 38.581 3.406 6.515 205 HB3 ASP 576 HB3 ASP 576 38.100 2.536 5.061 206 H LEU 577 HN LEU 577 41.407 3.103 6.048 207 HA LEU 577 HA LEU 577 41.869 2.999 3.271 208 HB2 LEU 577 HB2 LEU 577 43.560 3.859 5.607 209 HB3 LEU 577 HB3 LEU 577 44.233 3.828 3.987 210 HG LEU 577 HG LEU 577 41.730 5.363 4.762 211 HD11 LEU 577 HD11 LEU 577 44.536 6.389 4.242 212 HD12 LEU 577 HD12 LEU 577 43.878 6.141 5.856 213 HD13 LEU 577 HD13 LEU 577 43.150 7.336 4.783 214 HD21 LEU 577 HD21 LEU 577 42.371 6.560 2.562 215 HD22 LEU 577 HD22 LEU 577 41.698 4.939 2.397 216 HD23 LEU 577 HD23 LEU 577 43.437 5.191 2.262 217 H SER 578 HN SER 578 43.344 1.228 5.981 218 HA SER 578 HA SER 578 45.360 -0.089 4.523 219 HB2 SER 578 HB2 SER 578 45.338 -0.011 6.967 220 HB3 SER 578 HB3 SER 578 43.872 -0.987 7.001 221 HG SER 578 HG SER 578 45.473 -2.436 7.223 222 H LYS 579 HN LYS 579 42.035 -1.076 5.314 223 HA LYS 579 HA LYS 579 42.153 -3.594 3.967 224 HB2 LYS 579 HB2 LYS 579 39.805 -1.850 4.753 225 HB3 LYS 579 HB3 LYS 579 39.639 -3.449 4.033 226 HG2 LYS 579 HG2 LYS 579 40.872 -4.453 5.905 227 HG3 LYS 579 HG3 LYS 579 41.103 -2.857 6.627 228 HD2 LYS 579 HD2 LYS 579 38.643 -2.587 6.797 229 HD3 LYS 579 HD3 LYS 579 38.426 -4.199 6.114 230 HE2 LYS 579 HE2 LYS 579 39.680 -5.173 8.008 231 HE3 LYS 579 HE3 LYS 579 39.890 -3.562 8.694 232 HZ1 LYS 579 HZ1 LYS 579 38.046 -4.593 9.761 233 HZ2 LYS 579 HZ2 LYS 579 37.333 -5.013 8.280 234 HZ3 LYS 579 HZ3 LYS 579 37.430 -3.384 8.746 235 H LYS 580 HN LYS 580 41.197 -0.333 3.037 236 HA LYS 580 HA LYS 580 40.107 -0.881 0.489 237 HB2 LYS 580 HB2 LYS 580 39.834 1.253 1.767 238 HB3 LYS 580 HB3 LYS 580 41.521 1.632 1.427 239 HG2 LYS 580 HG2 LYS 580 41.092 1.702 -0.961 240 HG3 LYS 580 HG3 LYS 580 39.436 1.132 -0.721 241 HD2 LYS 580 HD2 LYS 580 38.921 3.153 0.571 242 HD3 LYS 580 HD3 LYS 580 40.578 3.720 0.360 243 HE2 LYS 580 HE2 LYS 580 39.122 4.822 -1.256 244 HE3 LYS 580 HE3 LYS 580 40.223 3.743 -2.106 245 HZ1 LYS 580 HZ1 LYS 580 38.405 2.060 -2.051 246 HZ2 LYS 580 HZ2 LYS 580 38.056 3.429 -2.989 247 HZ3 LYS 580 HZ3 LYS 580 37.371 3.259 -1.442 248 H ALA 581 HN ALA 581 43.367 -0.116 1.581 249 HA ALA 581 HA ALA 581 44.610 0.130 -0.927 250 HB1 ALA 581 HB1 ALA 581 46.636 -0.722 0.593 251 HB2 ALA 581 HB2 ALA 581 45.481 -0.378 1.878 252 HB3 ALA 581 HB3 ALA 581 45.964 0.900 0.765 253 H GLY 582 HN GLY 582 44.092 -2.643 1.217 254 HA2 GLY 582 HA2 GLY 582 45.522 -4.551 -0.305 255 HA3 GLY 582 HA3 GLY 582 44.265 -4.908 0.875 256 H GLU 583 HN GLU 583 42.145 -3.460 -0.376 257 HA GLU 583 HA GLU 583 41.174 -5.427 -2.174 258 HB2 GLU 583 HB2 GLU 583 39.734 -4.047 -0.707 259 HB3 GLU 583 HB3 GLU 583 40.133 -2.626 -1.671 260 HG2 GLU 583 HG2 GLU 583 39.135 -3.695 -3.669 261 HG3 GLU 583 HG3 GLU 583 38.748 -5.125 -2.715 262 H ILE 584 HN ILE 584 42.556 -2.183 -2.697 263 HA ILE 584 HA ILE 584 42.015 -2.083 -5.475 264 HB ILE 584 HB ILE 584 44.129 -0.676 -3.811 265 HG12 ILE 584 HG12 ILE 584 41.557 0.350 -5.061 266 HG13 ILE 584 HG13 ILE 584 41.638 -0.262 -3.411 267 HG21 ILE 584 HG21 ILE 584 43.273 -0.216 -6.700 268 HG22 ILE 584 HG22 ILE 584 44.854 -0.790 -6.176 269 HG23 ILE 584 HG23 ILE 584 44.340 0.852 -5.785 270 HD11 ILE 584 HD11 ILE 584 43.571 1.887 -4.256 271 HD12 ILE 584 HD12 ILE 584 42.909 1.548 -2.657 272 HD13 ILE 584 HD13 ILE 584 41.905 2.331 -3.878 273 H TRP 585 HN TRP 585 44.845 -3.212 -3.643 274 HA TRP 585 HA TRP 585 46.544 -3.836 -5.771 275 HB2 TRP 585 HB2 TRP 585 46.385 -4.438 -2.933 276 HB3 TRP 585 HB3 TRP 585 46.870 -5.888 -3.804 277 HD1 TRP 585 HD1 TRP 585 48.496 -3.441 -2.028 278 HE1 TRP 585 HE1 TRP 585 50.811 -2.803 -3.006 279 HE3 TRP 585 HE3 TRP 585 47.987 -5.337 -6.688 280 HZ2 TRP 585 HZ2 TRP 585 52.239 -3.064 -5.499 281 HZ3 TRP 585 HZ3 TRP 585 49.802 -5.145 -8.359 282 HH2 TRP 585 HH2 TRP 585 51.919 -3.998 -7.755 283 H LYS 586 HN LYS 586 44.058 -5.781 -4.217 284 HA LYS 586 HA LYS 586 44.490 -8.204 -5.556 285 HB2 LYS 586 HB2 LYS 586 41.978 -7.000 -4.388 286 HB3 LYS 586 HB3 LYS 586 42.022 -8.627 -5.063 287 HG2 LYS 586 HG2 LYS 586 43.794 -9.256 -3.454 288 HG3 LYS 586 HG3 LYS 586 43.764 -7.626 -2.782 289 HD2 LYS 586 HD2 LYS 586 41.375 -7.931 -2.165 290 HD3 LYS 586 HD3 LYS 586 41.433 -9.575 -2.800 291 HE2 LYS 586 HE2 LYS 586 43.183 -10.155 -1.155 292 HE3 LYS 586 HE3 LYS 586 43.134 -8.513 -0.520 293 HZ1 LYS 586 HZ1 LYS 586 40.560 -9.182 -0.371 294 HZ2 LYS 586 HZ2 LYS 586 41.662 -9.418 0.898 295 HZ3 LYS 586 HZ3 LYS 586 41.268 -10.704 -0.138 296 H GLY 587 HN GLY 587 42.583 -5.370 -6.545 297 HA2 GLY 587 HA2 GLY 587 41.571 -6.697 -8.930 298 HA3 GLY 587 HA3 GLY 587 41.308 -5.017 -8.482 299 H MET 588 HN MET 588 44.275 -4.668 -8.078 300 HA MET 588 HA MET 588 44.908 -3.784 -10.727 301 HB2 MET 588 HB2 MET 588 45.510 -2.582 -8.604 302 HB3 MET 588 HB3 MET 588 46.728 -3.827 -8.317 303 HG2 MET 588 HG2 MET 588 47.925 -3.246 -10.305 304 HG3 MET 588 HG3 MET 588 46.603 -2.231 -10.889 305 HE1 MET 588 HE1 MET 588 49.584 -2.793 -9.122 306 HE2 MET 588 HE2 MET 588 49.258 -2.182 -7.507 307 HE3 MET 588 HE3 MET 588 50.194 -1.209 -8.641 308 H SER 589 HN SER 589 46.765 -4.338 -11.934 309 HA SER 589 HA SER 589 47.082 -7.085 -12.402 310 HB2 SER 589 HB2 SER 589 47.426 -5.460 -14.150 311 HB3 SER 589 HB3 SER 589 48.758 -4.719 -13.264 312 HG SER 589 HG SER 589 50.018 -6.399 -13.730 313 H LYS 590 HN LYS 590 48.644 -8.542 -11.993 314 HA LYS 590 HA LYS 590 50.102 -8.438 -9.559 315 HB2 LYS 590 HB2 LYS 590 49.193 -10.498 -10.610 316 HB3 LYS 590 HB3 LYS 590 50.384 -10.345 -11.897 317 HG2 LYS 590 HG2 LYS 590 52.210 -10.559 -10.234 318 HG3 LYS 590 HG3 LYS 590 51.010 -10.726 -8.946 319 HD2 LYS 590 HD2 LYS 590 50.092 -12.737 -10.060 320 HD3 LYS 590 HD3 LYS 590 51.291 -12.568 -11.341 321 HE2 LYS 590 HE2 LYS 590 52.266 -14.173 -9.916 322 HE3 LYS 590 HE3 LYS 590 53.044 -12.674 -9.412 323 HZ1 LYS 590 HZ1 LYS 590 50.732 -13.995 -8.097 324 HZ2 LYS 590 HZ2 LYS 590 51.369 -12.490 -7.640 325 HZ3 LYS 590 HZ3 LYS 590 52.313 -13.893 -7.495 326 H GLU 591 HN GLU 591 50.998 -7.938 -12.930 327 HA GLU 591 HA GLU 591 53.786 -8.028 -12.773 328 HB2 GLU 591 HB2 GLU 591 51.895 -6.475 -14.528 329 HB3 GLU 591 HB3 GLU 591 53.639 -6.284 -14.686 330 HG2 GLU 591 HG2 GLU 591 53.235 -7.972 -16.235 331 HG3 GLU 591 HG3 GLU 591 53.628 -8.923 -14.809 332 H LYS 592 HN LYS 592 51.556 -5.413 -11.944 333 HA LYS 592 HA LYS 592 53.488 -3.357 -11.653 334 HB2 LYS 592 HB2 LYS 592 50.713 -3.776 -10.584 335 HB3 LYS 592 HB3 LYS 592 51.688 -2.433 -9.992 336 HG2 LYS 592 HG2 LYS 592 51.972 -1.602 -12.295 337 HG3 LYS 592 HG3 LYS 592 51.019 -2.958 -12.909 338 HD2 LYS 592 HD2 LYS 592 49.076 -2.217 -11.673 339 HD3 LYS 592 HD3 LYS 592 49.994 -0.928 -10.904 340 HE2 LYS 592 HE2 LYS 592 50.370 0.094 -13.134 341 HE3 LYS 592 HE3 LYS 592 49.396 -1.182 -13.865 342 HZ1 LYS 592 HZ1 LYS 592 47.537 -0.472 -12.436 343 HZ2 LYS 592 HZ2 LYS 592 48.039 0.747 -13.505 344 HZ3 LYS 592 HZ3 LYS 592 48.479 0.816 -11.867 345 H LYS 593 HN LYS 593 52.386 -5.901 -9.471 346 HA LYS 593 HA LYS 593 53.579 -4.875 -7.099 347 HB2 LYS 593 HB2 LYS 593 51.849 -6.645 -7.172 348 HB3 LYS 593 HB3 LYS 593 53.040 -7.741 -7.871 349 HG2 LYS 593 HG2 LYS 593 54.443 -7.518 -5.863 350 HG3 LYS 593 HG3 LYS 593 53.262 -6.392 -5.170 351 HD2 LYS 593 HD2 LYS 593 51.525 -8.098 -5.311 352 HD3 LYS 593 HD3 LYS 593 52.688 -9.230 -6.006 353 HE2 LYS 593 HE2 LYS 593 54.028 -9.101 -3.936 354 HE3 LYS 593 HE3 LYS 593 52.850 -7.980 -3.249 355 HZ1 LYS 593 HZ1 LYS 593 51.718 -10.430 -4.291 356 HZ2 LYS 593 HZ2 LYS 593 51.409 -9.623 -2.831 357 HZ3 LYS 593 HZ3 LYS 593 52.753 -10.648 -2.967 358 H GLU 594 HN GLU 594 54.680 -7.000 -9.665 359 HA GLU 594 HA GLU 594 57.127 -7.797 -8.600 360 HB2 GLU 594 HB2 GLU 594 56.286 -7.325 -11.462 361 HB3 GLU 594 HB3 GLU 594 57.822 -8.058 -11.009 362 HG2 GLU 594 HG2 GLU 594 56.641 -9.877 -9.850 363 HG3 GLU 594 HG3 GLU 594 55.089 -9.131 -10.227 364 H GLU 595 HN GLU 595 56.323 -4.866 -10.554 365 HA GLU 595 HA GLU 595 59.003 -3.978 -10.731 366 HB2 GLU 595 HB2 GLU 595 58.111 -1.723 -11.231 367 HB3 GLU 595 HB3 GLU 595 57.376 -2.979 -12.212 368 HG2 GLU 595 HG2 GLU 595 55.351 -2.855 -11.066 369 HG3 GLU 595 HG3 GLU 595 56.031 -1.985 -9.699 370 H TRP 596 HN TRP 596 56.493 -3.286 -8.343 371 HA TRP 596 HA TRP 596 57.982 -1.460 -6.775 372 HB2 TRP 596 HB2 TRP 596 55.693 -3.301 -6.065 373 HB3 TRP 596 HB3 TRP 596 56.419 -2.188 -4.909 374 HD1 TRP 596 HD1 TRP 596 53.798 -2.359 -7.489 375 HE1 TRP 596 HE1 TRP 596 52.891 -0.004 -8.003 376 HE3 TRP 596 HE3 TRP 596 57.367 0.477 -5.212 377 HZ2 TRP 596 HZ2 TRP 596 53.590 2.721 -7.523 378 HZ3 TRP 596 HZ3 TRP 596 57.228 2.952 -5.247 379 HH2 TRP 596 HH2 TRP 596 55.339 4.083 -6.401 380 H ASP 597 HN ASP 597 57.698 -4.993 -6.692 381 HA ASP 597 HA ASP 597 59.147 -5.473 -4.313 382 HB2 ASP 597 HB2 ASP 597 57.761 -7.173 -5.442 383 HB3 ASP 597 HB3 ASP 597 58.890 -7.198 -6.791 384 H ARG 598 HN ARG 598 60.144 -5.169 -7.699 385 HA ARG 598 HA ARG 598 62.868 -5.821 -7.391 386 HB2 ARG 598 HB2 ARG 598 61.429 -4.081 -9.397 387 HB3 ARG 598 HB3 ARG 598 63.156 -4.419 -9.494 388 HG2 ARG 598 HG2 ARG 598 62.690 -6.840 -9.617 389 HG3 ARG 598 HG3 ARG 598 60.958 -6.518 -9.496 390 HD2 ARG 598 HD2 ARG 598 61.075 -5.173 -11.580 391 HD3 ARG 598 HD3 ARG 598 62.791 -5.544 -11.712 392 HE ARG 598 HE ARG 598 60.561 -7.367 -12.237 393 HH11 ARG 598 HH11 ARG 598 64.024 -7.025 -11.787 394 HH12 ARG 598 HH12 ARG 598 64.387 -8.518 -12.584 395 HH21 ARG 598 HH21 ARG 598 61.078 -9.275 -13.276 396 HH22 ARG 598 HH22 ARG 598 62.728 -9.785 -13.421 397 H LYS 599 HN LYS 599 61.140 -2.699 -7.132 398 HA LYS 599 HA LYS 599 63.420 -1.046 -6.819 399 HB2 LYS 599 HB2 LYS 599 60.602 -0.709 -5.749 400 HB3 LYS 599 HB3 LYS 599 61.851 0.522 -5.622 401 HG2 LYS 599 HG2 LYS 599 62.022 0.623 -8.082 402 HG3 LYS 599 HG3 LYS 599 60.780 -0.626 -8.223 403 HD2 LYS 599 HD2 LYS 599 59.164 0.834 -7.050 404 HD3 LYS 599 HD3 LYS 599 60.398 2.085 -6.898 405 HE2 LYS 599 HE2 LYS 599 60.553 2.235 -9.360 406 HE3 LYS 599 HE3 LYS 599 59.318 0.986 -9.514 407 HZ1 LYS 599 HZ1 LYS 599 58.833 3.494 -8.013 408 HZ2 LYS 599 HZ2 LYS 599 57.691 2.390 -8.614 409 HZ3 LYS 599 HZ3 LYS 599 58.558 3.384 -9.683 410 H ALA 600 HN ALA 600 61.364 -2.732 -4.470 411 HA ALA 600 HA ALA 600 62.636 -1.794 -2.132 412 HB1 ALA 600 HB1 ALA 600 61.221 -3.203 -1.006 413 HB2 ALA 600 HB2 ALA 600 61.446 -4.524 -2.153 414 HB3 ALA 600 HB3 ALA 600 60.390 -3.172 -2.561 415 H GLU 601 HN GLU 601 63.206 -4.656 -4.160 416 HA GLU 601 HA GLU 601 65.154 -5.874 -2.503 417 HB2 GLU 601 HB2 GLU 601 64.668 -6.042 -5.477 418 HB3 GLU 601 HB3 GLU 601 65.890 -6.999 -4.643 419 HG2 GLU 601 HG2 GLU 601 64.190 -8.044 -3.244 420 HG3 GLU 601 HG3 GLU 601 62.939 -7.015 -3.936 421 H ASP 602 HN ASP 602 65.397 -3.486 -5.133 422 HA ASP 602 HA ASP 602 68.219 -3.467 -5.324 423 HB2 ASP 602 HB2 ASP 602 66.066 -1.529 -6.082 424 HB3 ASP 602 HB3 ASP 602 67.745 -1.001 -6.118 425 H ALA 603 HN ALA 603 65.965 -1.665 -3.285 426 HA ALA 603 HA ALA 603 67.847 0.108 -2.146 427 HB1 ALA 603 HB1 ALA 603 66.104 0.053 -0.197 428 HB2 ALA 603 HB2 ALA 603 65.147 -0.905 -1.327 429 HB3 ALA 603 HB3 ALA 603 65.641 0.733 -1.756 430 H ARG 604 HN ARG 604 66.814 -3.172 -1.299 431 HA ARG 604 HA ARG 604 68.149 -3.364 1.191 432 HB2 ARG 604 HB2 ARG 604 67.309 -5.469 -0.812 433 HB3 ARG 604 HB3 ARG 604 68.043 -5.860 0.742 434 HG2 ARG 604 HG2 ARG 604 66.211 -4.676 1.916 435 HG3 ARG 604 HG3 ARG 604 65.472 -4.281 0.360 436 HD2 ARG 604 HD2 ARG 604 65.195 -6.672 -0.144 437 HD3 ARG 604 HD3 ARG 604 65.991 -7.100 1.365 438 HE ARG 604 HE ARG 604 63.813 -5.471 2.027 439 HH11 ARG 604 HH11 ARG 604 64.319 -8.587 0.510 440 HH12 ARG 604 HH12 ARG 604 62.815 -9.238 1.065 441 HH21 ARG 604 HH21 ARG 604 61.874 -6.373 2.765 442 HH22 ARG 604 HH22 ARG 604 61.442 -7.993 2.331 443 H ARG 605 HN ARG 605 69.146 -4.132 -2.141 444 HA ARG 605 HA ARG 605 71.695 -5.213 -1.505 445 HB2 ARG 605 HB2 ARG 605 70.752 -3.818 -4.025 446 HB3 ARG 605 HB3 ARG 605 72.280 -4.684 -3.873 447 HG2 ARG 605 HG2 ARG 605 70.881 -6.726 -3.173 448 HG3 ARG 605 HG3 ARG 605 69.478 -5.823 -3.750 449 HD2 ARG 605 HD2 ARG 605 71.933 -6.514 -5.402 450 HD3 ARG 605 HD3 ARG 605 70.358 -7.292 -5.535 451 HE ARG 605 HE ARG 605 69.805 -4.640 -5.946 452 HH11 ARG 605 HH11 ARG 605 72.040 -6.901 -7.426 453 HH12 ARG 605 HH12 ARG 605 72.028 -6.090 -8.955 454 HH21 ARG 605 HH21 ARG 605 69.841 -3.606 -7.938 455 HH22 ARG 605 HH22 ARG 605 70.791 -4.235 -9.241 456 H ASP 606 HN ASP 606 70.521 -1.940 -2.095 457 HA ASP 606 HA ASP 606 73.006 -0.623 -2.283 458 HB2 ASP 606 HB2 ASP 606 70.207 0.219 -1.660 459 HB3 ASP 606 HB3 ASP 606 71.518 1.361 -1.389 460 H TYR 607 HN TYR 607 70.966 -1.434 0.518 461 HA TYR 607 HA TYR 607 72.413 0.043 2.464 462 HB2 TYR 607 HB2 TYR 607 70.647 -2.394 2.625 463 HB3 TYR 607 HB3 TYR 607 71.517 -1.817 4.042 464 HD1 TYR 607 HD1 TYR 607 71.160 0.602 4.807 465 HD2 TYR 607 HD2 TYR 607 68.628 -1.345 1.924 466 HE1 TYR 607 HE1 TYR 607 69.366 2.265 5.252 467 HE2 TYR 607 HE2 TYR 607 66.843 0.324 2.361 468 HH TYR 607 HH TYR 607 67.391 3.205 4.007 469 H GLU 608 HN GLU 608 72.652 -3.307 1.323 470 HA GLU 608 HA GLU 608 74.765 -4.135 3.016 471 HB2 GLU 608 HB2 GLU 608 73.883 -5.100 0.285 472 HB3 GLU 608 HB3 GLU 608 75.121 -5.904 1.246 473 HG2 GLU 608 HG2 GLU 608 72.272 -5.424 2.184 474 HG3 GLU 608 HG3 GLU 608 72.846 -6.934 1.490 475 H LYS 609 HN LYS 609 74.702 -2.763 -0.257 476 HA LYS 609 HA LYS 609 77.484 -2.907 -0.775 477 HB2 LYS 609 HB2 LYS 609 75.735 -2.580 -2.520 478 HB3 LYS 609 HB3 LYS 609 75.462 -0.949 -1.904 479 HG2 LYS 609 HG2 LYS 609 77.777 -0.326 -2.423 480 HG3 LYS 609 HG3 LYS 609 78.121 -1.972 -2.963 481 HD2 LYS 609 HD2 LYS 609 76.450 -1.754 -4.756 482 HD3 LYS 609 HD3 LYS 609 76.057 -0.126 -4.204 483 HE2 LYS 609 HE2 LYS 609 77.565 0.204 -6.012 484 HE3 LYS 609 HE3 LYS 609 78.543 0.426 -4.563 485 HZ1 LYS 609 HZ1 LYS 609 79.858 -1.202 -5.243 486 HZ2 LYS 609 HZ2 LYS 609 78.918 -1.405 -6.641 487 HZ3 LYS 609 HZ3 LYS 609 78.564 -2.298 -5.241 488 H ALA 610 HN ALA 610 75.437 -0.386 0.634 489 HA ALA 610 HA ALA 610 77.408 1.632 0.844 490 HB1 ALA 610 HB1 ALA 610 74.889 1.129 2.432 491 HB2 ALA 610 HB2 ALA 610 75.096 2.237 1.074 492 HB3 ALA 610 HB3 ALA 610 75.891 2.569 2.614 493 H MET 611 HN MET 611 76.450 -1.022 2.939 494 HA MET 611 HA MET 611 77.927 -0.282 5.233 495 HB2 MET 611 HB2 MET 611 76.881 -2.902 4.172 496 HB3 MET 611 HB3 MET 611 77.826 -2.828 5.657 497 HG2 MET 611 HG2 MET 611 75.328 -1.161 5.200 498 HG3 MET 611 HG3 MET 611 75.311 -2.735 5.996 499 HE1 MET 611 HE1 MET 611 76.234 1.283 7.792 500 HE2 MET 611 HE2 MET 611 74.852 0.706 6.860 501 HE3 MET 611 HE3 MET 611 76.405 0.945 6.064 502 H LYS 612 HN LYS 612 78.726 -2.168 2.328 503 HA LYS 612 HA LYS 612 81.256 -3.119 3.148 504 HB2 LYS 612 HB2 LYS 612 79.973 -4.012 1.222 505 HB3 LYS 612 HB3 LYS 612 80.290 -2.520 0.339 506 HG2 LYS 612 HG2 LYS 612 82.715 -2.948 0.457 507 HG3 LYS 612 HG3 LYS 612 82.418 -4.425 1.376 508 HD2 LYS 612 HD2 LYS 612 81.127 -5.347 -0.528 509 HD3 LYS 612 HD3 LYS 612 81.454 -3.876 -1.451 510 HE2 LYS 612 HE2 LYS 612 83.874 -4.310 -1.312 511 HE3 LYS 612 HE3 LYS 612 83.567 -5.767 -0.367 512 HZ1 LYS 612 HZ1 LYS 612 82.210 -6.554 -2.301 513 HZ2 LYS 612 HZ2 LYS 612 83.878 -6.440 -2.593 514 HZ3 LYS 612 HZ3 LYS 612 82.825 -5.250 -3.191 515 H GLU 613 HN GLU 613 80.293 -0.137 1.438 516 HA GLU 613 HA GLU 613 83.034 0.770 1.184 517 HB2 GLU 613 HB2 GLU 613 80.410 2.208 0.728 518 HB3 GLU 613 HB3 GLU 613 81.994 2.929 0.458 519 HG2 GLU 613 HG2 GLU 613 82.528 1.210 -1.215 520 HG3 GLU 613 HG3 GLU 613 80.981 0.418 -0.921 521 H TYR 614 HN TYR 614 80.333 1.310 3.384 522 HA TYR 614 HA TYR 614 81.317 3.549 4.779 523 HB2 TYR 614 HB2 TYR 614 78.994 2.789 4.995 524 HB3 TYR 614 HB3 TYR 614 79.530 1.279 5.723 525 HD1 TYR 614 HD1 TYR 614 79.541 4.994 6.214 526 HD2 TYR 614 HD2 TYR 614 79.893 1.128 8.069 527 HE1 TYR 614 HE1 TYR 614 79.450 6.059 8.458 528 HE2 TYR 614 HE2 TYR 614 79.801 2.194 10.308 529 HH TYR 614 HH TYR 614 78.720 5.242 10.847 530 H GLU 615 HN GLU 615 81.647 0.059 5.405 531 HA GLU 615 HA GLU 615 84.251 0.403 6.596 532 HB2 GLU 615 HB2 GLU 615 82.726 1.058 8.452 533 HB3 GLU 615 HB3 GLU 615 81.950 -0.520 8.337 534 HG2 GLU 615 HG2 GLU 615 83.551 -0.666 10.123 535 HG3 GLU 615 HG3 GLU 615 84.221 -1.567 8.769 536 H GLY 616 HN GLY 616 85.008 -1.112 5.179 537 HA2 GLY 616 HA2 GLY 616 83.679 -3.680 4.867 538 HA3 GLY 616 HA3 GLY 616 85.137 -3.149 4.036 539 H GLY 617 HN GLY 617 85.368 -5.588 4.787 540 HA2 GLY 617 HA2 GLY 617 87.284 -5.536 6.981 541 HA3 GLY 617 HA3 GLY 617 85.888 -6.585 7.208 Start of MODEL 19 1 H MET 551 HT1 MET 551 55.470 -10.070 1.291 2 HA MET 551 HA MET 551 54.421 -8.431 -0.217 3 HB2 MET 551 HB2 MET 551 54.086 -7.986 2.766 4 HB3 MET 551 HB3 MET 551 52.968 -7.385 1.547 5 HG2 MET 551 HG2 MET 551 53.629 -10.302 2.064 6 HG3 MET 551 HG3 MET 551 52.141 -9.483 2.532 7 HE1 MET 551 HE1 MET 551 51.208 -7.712 0.382 8 HE2 MET 551 HE2 MET 551 50.129 -8.983 0.952 9 HE3 MET 551 HE3 MET 551 50.337 -8.721 -0.778 10 H SER 552 HN SER 552 57.202 -7.481 0.166 11 HA SER 552 HA SER 552 57.293 -4.864 1.202 12 HB2 SER 552 HB2 SER 552 59.337 -4.609 -0.157 13 HB3 SER 552 HB3 SER 552 59.321 -6.129 0.733 14 HG SER 552 HG SER 552 59.916 -6.453 -1.435 15 H ALA 553 HN ALA 553 56.327 -6.115 -1.947 16 HA ALA 553 HA ALA 553 56.262 -3.679 -3.365 17 HB1 ALA 553 HB1 ALA 553 56.054 -5.876 -4.467 18 HB2 ALA 553 HB2 ALA 553 54.690 -4.842 -4.877 19 HB3 ALA 553 HB3 ALA 553 54.492 -6.126 -3.687 20 H TYR 554 HN TYR 554 53.934 -5.311 -1.315 21 HA TYR 554 HA TYR 554 51.719 -3.596 -1.714 22 HB2 TYR 554 HB2 TYR 554 51.553 -5.865 -0.799 23 HB3 TYR 554 HB3 TYR 554 52.497 -5.386 0.601 24 HD1 TYR 554 HD1 TYR 554 49.273 -4.837 -1.172 25 HD2 TYR 554 HD2 TYR 554 51.476 -4.328 2.487 26 HE1 TYR 554 HE1 TYR 554 47.174 -4.233 0.010 27 HE2 TYR 554 HE2 TYR 554 49.379 -3.715 3.664 28 HH TYR 554 HH TYR 554 46.841 -4.251 3.274 29 H MET 555 HN MET 555 54.322 -3.671 0.738 30 HA MET 555 HA MET 555 53.357 -1.537 2.313 31 HB2 MET 555 HB2 MET 555 56.202 -2.488 1.923 32 HB3 MET 555 HB3 MET 555 55.681 -1.380 3.191 33 HG2 MET 555 HG2 MET 555 54.028 -3.212 3.906 34 HG3 MET 555 HG3 MET 555 54.923 -4.298 2.845 35 HE1 MET 555 HE1 MET 555 57.816 -3.017 3.065 36 HE2 MET 555 HE2 MET 555 57.729 -4.768 3.241 37 HE3 MET 555 HE3 MET 555 58.607 -3.814 4.431 38 H LEU 556 HN LEU 556 55.762 -1.547 -0.342 39 HA LEU 556 HA LEU 556 56.334 1.228 -0.256 40 HB2 LEU 556 HB2 LEU 556 56.501 -0.686 -2.607 41 HB3 LEU 556 HB3 LEU 556 57.220 0.919 -2.552 42 HG LEU 556 HG LEU 556 57.929 -1.367 -0.679 43 HD11 LEU 556 HD11 LEU 556 59.446 -0.168 -3.018 44 HD12 LEU 556 HD12 LEU 556 58.643 -1.737 -3.024 45 HD13 LEU 556 HD13 LEU 556 60.027 -1.460 -1.968 46 HD21 LEU 556 HD21 LEU 556 59.937 0.179 -0.223 47 HD22 LEU 556 HD22 LEU 556 58.397 0.685 0.473 48 HD23 LEU 556 HD23 LEU 556 58.997 1.455 -0.997 49 H TRP 557 HN TRP 557 54.037 -0.677 -2.144 50 HA TRP 557 HA TRP 557 52.991 1.394 -3.766 51 HB2 TRP 557 HB2 TRP 557 52.738 -0.940 -4.336 52 HB3 TRP 557 HB3 TRP 557 51.919 -1.268 -2.824 53 HD1 TRP 557 HD1 TRP 557 51.278 -0.353 -6.383 54 HE1 TRP 557 HE1 TRP 557 48.744 -0.050 -6.748 55 HE3 TRP 557 HE3 TRP 557 49.681 -0.166 -1.532 56 HZ2 TRP 557 HZ2 TRP 557 46.368 0.216 -5.200 57 HZ3 TRP 557 HZ3 TRP 557 47.294 0.130 -1.020 58 HH2 TRP 557 HH2 TRP 557 45.626 0.315 -2.850 59 H LEU 558 HN LEU 558 51.982 0.056 -0.643 60 HA LEU 558 HA LEU 558 49.605 1.551 -0.322 61 HB2 LEU 558 HB2 LEU 558 50.537 -0.513 0.999 62 HB3 LEU 558 HB3 LEU 558 51.295 0.698 2.016 63 HG LEU 558 HG LEU 558 48.319 0.445 1.449 64 HD11 LEU 558 HD11 LEU 558 49.936 -0.099 3.959 65 HD12 LEU 558 HD12 LEU 558 49.285 -1.340 2.891 66 HD13 LEU 558 HD13 LEU 558 48.191 -0.291 3.795 67 HD21 LEU 558 HD21 LEU 558 49.934 2.434 3.053 68 HD22 LEU 558 HD22 LEU 558 48.262 2.078 3.489 69 HD23 LEU 558 HD23 LEU 558 48.633 2.745 1.903 70 H ASN 559 HN ASN 559 52.978 2.179 0.653 71 HA ASN 559 HA ASN 559 52.477 4.490 2.177 72 HB2 ASN 559 HB2 ASN 559 54.877 3.453 0.705 73 HB3 ASN 559 HB3 ASN 559 54.910 5.060 1.431 74 HD21 ASN 559 HD21 ASN 559 54.272 5.121 3.828 75 HD22 ASN 559 HD22 ASN 559 54.748 3.803 4.795 76 H ALA 560 HN ALA 560 53.282 4.128 -1.260 77 HA ALA 560 HA ALA 560 53.192 6.932 -1.814 78 HB1 ALA 560 HB1 ALA 560 53.167 4.472 -3.558 79 HB2 ALA 560 HB2 ALA 560 54.501 5.589 -3.269 80 HB3 ALA 560 HB3 ALA 560 53.109 6.106 -4.219 81 H SER 561 HN SER 561 50.921 4.267 -2.165 82 HA SER 561 HA SER 561 48.885 5.801 -3.453 83 HB2 SER 561 HB2 SER 561 48.915 3.064 -2.203 84 HB3 SER 561 HB3 SER 561 47.450 3.772 -2.884 85 HG SER 561 HG SER 561 48.851 2.457 -4.324 86 H ARG 562 HN ARG 562 49.704 5.261 -0.112 87 HA ARG 562 HA ARG 562 47.260 5.574 1.165 88 HB2 ARG 562 HB2 ARG 562 49.360 4.971 2.315 89 HB3 ARG 562 HB3 ARG 562 49.959 6.611 2.083 90 HG2 ARG 562 HG2 ARG 562 48.047 7.459 3.434 91 HG3 ARG 562 HG3 ARG 562 47.521 5.795 3.702 92 HD2 ARG 562 HD2 ARG 562 50.248 6.873 4.484 93 HD3 ARG 562 HD3 ARG 562 48.894 6.714 5.596 94 HE ARG 562 HE ARG 562 50.563 4.561 4.568 95 HH11 ARG 562 HH11 ARG 562 47.527 5.398 6.102 96 HH12 ARG 562 HH12 ARG 562 47.286 3.815 6.759 97 HH21 ARG 562 HH21 ARG 562 50.209 2.509 5.443 98 HH22 ARG 562 HH22 ARG 562 48.794 2.191 6.385 99 H GLU 563 HN GLU 563 49.500 8.129 0.074 100 HA GLU 563 HA GLU 563 47.950 10.296 1.071 101 HB2 GLU 563 HB2 GLU 563 50.359 10.458 0.526 102 HB3 GLU 563 HB3 GLU 563 49.972 10.257 -1.182 103 HG2 GLU 563 HG2 GLU 563 48.666 12.335 -1.164 104 HG3 GLU 563 HG3 GLU 563 48.949 12.523 0.566 105 H LYS 564 HN LYS 564 48.146 8.692 -2.077 106 HA LYS 564 HA LYS 564 46.375 10.413 -3.468 107 HB2 LYS 564 HB2 LYS 564 47.112 7.511 -3.938 108 HB3 LYS 564 HB3 LYS 564 46.130 8.465 -5.046 109 HG2 LYS 564 HG2 LYS 564 47.982 10.061 -5.351 110 HG3 LYS 564 HG3 LYS 564 48.969 9.150 -4.204 111 HD2 LYS 564 HD2 LYS 564 48.885 7.171 -5.670 112 HD3 LYS 564 HD3 LYS 564 47.864 8.046 -6.813 113 HE2 LYS 564 HE2 LYS 564 49.663 9.688 -7.183 114 HE3 LYS 564 HE3 LYS 564 50.686 8.841 -6.024 115 HZ1 LYS 564 HZ1 LYS 564 49.929 8.082 -8.745 116 HZ2 LYS 564 HZ2 LYS 564 50.129 6.833 -7.615 117 HZ3 LYS 564 HZ3 LYS 564 51.410 7.897 -7.943 118 H ILE 565 HN ILE 565 45.847 7.343 -1.746 119 HA ILE 565 HA ILE 565 43.094 7.099 -2.339 120 HB ILE 565 HB ILE 565 44.720 5.931 -0.045 121 HG12 ILE 565 HG12 ILE 565 43.683 4.572 -2.554 122 HG13 ILE 565 HG13 ILE 565 45.268 5.335 -2.500 123 HG21 ILE 565 HG21 ILE 565 41.951 5.177 -1.069 124 HG22 ILE 565 HG22 ILE 565 42.270 5.999 0.450 125 HG23 ILE 565 HG23 ILE 565 42.831 4.345 0.215 126 HD11 ILE 565 HD11 ILE 565 45.823 3.869 -0.509 127 HD12 ILE 565 HD12 ILE 565 45.571 2.975 -2.007 128 HD13 ILE 565 HD13 ILE 565 44.303 3.021 -0.783 129 H LYS 566 HN LYS 566 44.823 8.476 0.465 130 HA LYS 566 HA LYS 566 42.540 9.105 1.987 131 HB2 LYS 566 HB2 LYS 566 45.316 10.291 1.949 132 HB3 LYS 566 HB3 LYS 566 44.067 10.857 3.053 133 HG2 LYS 566 HG2 LYS 566 43.845 8.609 3.999 134 HG3 LYS 566 HG3 LYS 566 45.053 7.990 2.873 135 HD2 LYS 566 HD2 LYS 566 46.761 9.463 3.843 136 HD3 LYS 566 HD3 LYS 566 45.561 10.181 4.919 137 HE2 LYS 566 HE2 LYS 566 45.222 8.021 6.029 138 HE3 LYS 566 HE3 LYS 566 46.361 7.252 4.929 139 HZ1 LYS 566 HZ1 LYS 566 47.018 9.466 6.797 140 HZ2 LYS 566 HZ2 LYS 566 48.112 8.650 5.789 141 HZ3 LYS 566 HZ3 LYS 566 47.364 7.830 7.073 142 H SER 567 HN SER 567 44.309 10.973 -0.458 143 HA SER 567 HA SER 567 42.868 13.385 -0.156 144 HB2 SER 567 HB2 SER 567 45.017 13.242 -1.346 145 HB3 SER 567 HB3 SER 567 44.252 12.289 -2.616 146 HG SER 567 HG SER 567 44.308 14.948 -2.286 147 H ASP 568 HN ASP 568 42.348 10.555 -2.227 148 HA ASP 568 HA ASP 568 40.098 11.653 -3.625 149 HB2 ASP 568 HB2 ASP 568 41.611 9.819 -4.454 150 HB3 ASP 568 HB3 ASP 568 40.840 8.745 -3.296 151 H HIS 569 HN HIS 569 40.501 9.703 -0.714 152 HA HIS 569 HA HIS 569 37.562 9.762 -0.328 153 HB2 HIS 569 HB2 HIS 569 39.448 7.767 0.954 154 HB3 HIS 569 HB3 HIS 569 37.687 7.745 0.967 155 HD2 HIS 569 HD2 HIS 569 40.471 7.500 -1.882 156 HE1 HIS 569 HE1 HIS 569 37.215 5.024 -2.898 157 HE2 HIS 569 HE2 HIS 569 39.527 5.792 -3.610 158 HA PRO 570 HA PRO 570 39.518 12.394 2.956 159 HB2 PRO 570 HB2 PRO 570 37.598 14.319 3.007 160 HB3 PRO 570 HB3 PRO 570 38.938 14.331 1.844 161 HG2 PRO 570 HG2 PRO 570 36.120 13.425 1.471 162 HG3 PRO 570 HG3 PRO 570 37.144 14.391 0.396 163 HD2 PRO 570 HD2 PRO 570 36.743 11.728 0.013 164 HD3 PRO 570 HD3 PRO 570 38.261 12.536 -0.435 165 H GLY 571 HN GLY 571 39.056 12.338 5.116 166 HA2 GLY 571 HA2 GLY 571 37.873 12.026 7.081 167 HA3 GLY 571 HA3 GLY 571 36.394 11.972 6.136 168 H ILE 572 HN ILE 572 38.783 9.778 5.021 169 HA ILE 572 HA ILE 572 37.206 7.561 6.053 170 HB ILE 572 HB ILE 572 37.831 7.567 3.659 171 HG12 ILE 572 HG12 ILE 572 39.214 5.318 5.145 172 HG13 ILE 572 HG13 ILE 572 37.459 5.470 5.072 173 HG21 ILE 572 HG21 ILE 572 40.080 7.346 2.920 174 HG22 ILE 572 HG22 ILE 572 40.663 6.999 4.548 175 HG23 ILE 572 HG23 ILE 572 40.133 8.629 4.132 176 HD11 ILE 572 HD11 ILE 572 38.696 3.976 3.305 177 HD12 ILE 572 HD12 ILE 572 39.054 5.515 2.520 178 HD13 ILE 572 HD13 ILE 572 37.380 5.027 2.782 179 H SER 573 HN SER 573 37.909 6.025 7.440 180 HA SER 573 HA SER 573 39.963 6.779 9.281 181 HB2 SER 573 HB2 SER 573 39.231 4.975 10.588 182 HB3 SER 573 HB3 SER 573 37.774 5.469 9.725 183 HG SER 573 HG SER 573 37.781 3.626 8.716 184 H ILE 574 HN ILE 574 41.742 5.388 9.918 185 HA ILE 574 HA ILE 574 43.489 4.778 7.785 186 HB ILE 574 HB ILE 574 43.670 3.843 10.668 187 HG12 ILE 574 HG12 ILE 574 44.901 6.318 9.408 188 HG13 ILE 574 HG13 ILE 574 43.384 6.353 10.300 189 HG21 ILE 574 HG21 ILE 574 46.090 3.711 10.221 190 HG22 ILE 574 HG22 ILE 574 45.824 4.233 8.559 191 HG23 ILE 574 HG23 ILE 574 45.206 2.674 9.102 192 HD11 ILE 574 HD11 ILE 574 45.620 6.901 11.557 193 HD12 ILE 574 HD12 ILE 574 45.829 5.151 11.583 194 HD13 ILE 574 HD13 ILE 574 44.417 5.882 12.348 195 H THR 575 HN THR 575 41.559 2.724 9.913 196 HA THR 575 HA THR 575 42.413 0.223 8.966 197 HB THR 575 HB THR 575 39.642 0.887 9.973 198 HG1 THR 575 HG3 THR 575 41.143 1.728 11.399 199 HG21 THR 575 HG21 THR 575 39.939 -1.389 9.109 200 HG22 THR 575 HG22 THR 575 39.781 -1.420 10.866 201 HG23 THR 575 HG23 THR 575 41.368 -1.599 10.119 202 H ASP 576 HN ASP 576 39.753 2.341 7.928 203 HA ASP 576 HA ASP 576 38.679 0.609 5.964 204 HB2 ASP 576 HB2 ASP 576 38.532 3.556 6.481 205 HB3 ASP 576 HB3 ASP 576 37.926 2.922 4.955 206 H LEU 577 HN LEU 577 41.258 3.023 5.876 207 HA LEU 577 HA LEU 577 41.664 3.116 3.085 208 HB2 LEU 577 HB2 LEU 577 43.555 3.545 5.399 209 HB3 LEU 577 HB3 LEU 577 44.049 3.750 3.725 210 HG LEU 577 HG LEU 577 41.761 5.262 5.027 211 HD11 LEU 577 HD11 LEU 577 43.265 7.101 5.269 212 HD12 LEU 577 HD12 LEU 577 44.494 6.315 4.278 213 HD13 LEU 577 HD13 LEU 577 44.142 5.704 5.894 214 HD21 LEU 577 HD21 LEU 577 42.232 6.767 2.969 215 HD22 LEU 577 HD22 LEU 577 41.392 5.245 2.670 216 HD23 LEU 577 HD23 LEU 577 43.114 5.385 2.324 217 H SER 578 HN SER 578 43.004 1.011 5.611 218 HA SER 578 HA SER 578 44.894 -0.353 4.057 219 HB2 SER 578 HB2 SER 578 43.275 -1.419 6.382 220 HB3 SER 578 HB3 SER 578 44.775 -2.108 5.764 221 HG SER 578 HG SER 578 44.551 -0.272 7.580 222 H LYS 579 HN LYS 579 41.440 -0.986 4.596 223 HA LYS 579 HA LYS 579 41.307 -3.426 3.147 224 HB2 LYS 579 HB2 LYS 579 39.181 -1.351 3.726 225 HB3 LYS 579 HB3 LYS 579 38.856 -2.909 2.971 226 HG2 LYS 579 HG2 LYS 579 39.786 -4.057 4.967 227 HG3 LYS 579 HG3 LYS 579 40.049 -2.484 5.729 228 HD2 LYS 579 HD2 LYS 579 37.628 -2.002 5.577 229 HD3 LYS 579 HD3 LYS 579 37.362 -3.579 4.831 230 HE2 LYS 579 HE2 LYS 579 38.242 -4.691 6.850 231 HE3 LYS 579 HE3 LYS 579 38.514 -3.118 7.600 232 HZ1 LYS 579 HZ1 LYS 579 36.329 -2.829 8.004 233 HZ2 LYS 579 HZ2 LYS 579 36.296 -4.525 7.944 234 HZ3 LYS 579 HZ3 LYS 579 35.833 -3.615 6.587 235 H LYS 580 HN LYS 580 40.785 -0.037 2.242 236 HA LYS 580 HA LYS 580 39.993 -0.443 -0.439 237 HB2 LYS 580 HB2 LYS 580 41.294 1.877 0.991 238 HB3 LYS 580 HB3 LYS 580 40.928 1.939 -0.733 239 HG2 LYS 580 HG2 LYS 580 38.529 1.325 -0.141 240 HG3 LYS 580 HG3 LYS 580 38.973 1.583 1.551 241 HD2 LYS 580 HD2 LYS 580 39.586 3.878 1.115 242 HD3 LYS 580 HD3 LYS 580 39.365 3.659 -0.622 243 HE2 LYS 580 HE2 LYS 580 37.115 3.243 1.357 244 HE3 LYS 580 HE3 LYS 580 37.449 4.813 0.630 245 HZ1 LYS 580 HZ1 LYS 580 37.425 3.211 -1.519 246 HZ2 LYS 580 HZ2 LYS 580 36.081 4.084 -0.961 247 HZ3 LYS 580 HZ3 LYS 580 36.269 2.448 -0.538 248 H ALA 581 HN ALA 581 43.144 0.010 1.059 249 HA ALA 581 HA ALA 581 44.690 0.198 -1.264 250 HB1 ALA 581 HB1 ALA 581 45.173 -0.443 1.597 251 HB2 ALA 581 HB2 ALA 581 45.920 0.788 0.580 252 HB3 ALA 581 HB3 ALA 581 46.437 -0.893 0.453 253 H GLY 582 HN GLY 582 43.696 -2.573 0.691 254 HA2 GLY 582 HA2 GLY 582 45.123 -4.545 -0.766 255 HA3 GLY 582 HA3 GLY 582 43.757 -4.836 0.306 256 H GLU 583 HN GLU 583 41.792 -3.305 -0.983 257 HA GLU 583 HA GLU 583 40.876 -5.121 -2.945 258 HB2 GLU 583 HB2 GLU 583 39.966 -2.324 -2.252 259 HB3 GLU 583 HB3 GLU 583 39.138 -3.351 -3.419 260 HG2 GLU 583 HG2 GLU 583 39.623 -4.106 -0.518 261 HG3 GLU 583 HG3 GLU 583 38.121 -3.429 -1.128 262 H ILE 584 HN ILE 584 42.409 -1.910 -3.246 263 HA ILE 584 HA ILE 584 42.082 -1.703 -6.051 264 HB ILE 584 HB ILE 584 44.110 -0.421 -4.187 265 HG12 ILE 584 HG12 ILE 584 41.677 0.750 -5.575 266 HG13 ILE 584 HG13 ILE 584 41.598 0.049 -3.961 267 HG21 ILE 584 HG21 ILE 584 44.976 -0.488 -6.520 268 HG22 ILE 584 HG22 ILE 584 44.538 1.159 -6.065 269 HG23 ILE 584 HG23 ILE 584 43.465 0.213 -7.098 270 HD11 ILE 584 HD11 ILE 584 41.873 2.476 -3.789 271 HD12 ILE 584 HD12 ILE 584 43.313 2.413 -4.805 272 HD13 ILE 584 HD13 ILE 584 43.333 1.678 -3.202 273 H TRP 585 HN TRP 585 44.741 -2.963 -4.058 274 HA TRP 585 HA TRP 585 46.548 -3.584 -6.107 275 HB2 TRP 585 HB2 TRP 585 46.246 -4.200 -3.287 276 HB3 TRP 585 HB3 TRP 585 46.755 -5.651 -4.144 277 HD1 TRP 585 HD1 TRP 585 48.342 -3.293 -2.255 278 HE1 TRP 585 HE1 TRP 585 50.701 -2.656 -3.119 279 HE3 TRP 585 HE3 TRP 585 47.989 -5.020 -6.995 280 HZ2 TRP 585 HZ2 TRP 585 52.224 -2.852 -5.564 281 HZ3 TRP 585 HZ3 TRP 585 49.870 -4.800 -8.586 282 HH2 TRP 585 HH2 TRP 585 51.981 -3.710 -7.865 283 H LYS 586 HN LYS 586 43.950 -5.485 -4.711 284 HA LYS 586 HA LYS 586 44.406 -7.918 -6.015 285 HB2 LYS 586 HB2 LYS 586 41.882 -6.638 -4.977 286 HB3 LYS 586 HB3 LYS 586 41.872 -8.241 -5.710 287 HG2 LYS 586 HG2 LYS 586 43.519 -9.025 -4.036 288 HG3 LYS 586 HG3 LYS 586 43.540 -7.421 -3.302 289 HD2 LYS 586 HD2 LYS 586 41.163 -7.597 -2.745 290 HD3 LYS 586 HD3 LYS 586 41.060 -9.144 -3.582 291 HE2 LYS 586 HE2 LYS 586 41.256 -9.746 -1.304 292 HE3 LYS 586 HE3 LYS 586 42.888 -9.947 -1.940 293 HZ1 LYS 586 HZ1 LYS 586 41.898 -7.541 -0.505 294 HZ2 LYS 586 HZ2 LYS 586 43.482 -7.793 -1.060 295 HZ3 LYS 586 HZ3 LYS 586 42.851 -8.763 0.182 296 H GLY 587 HN GLY 587 42.679 -5.035 -7.154 297 HA2 GLY 587 HA2 GLY 587 41.801 -6.358 -9.599 298 HA3 GLY 587 HA3 GLY 587 41.541 -4.670 -9.177 299 H MET 588 HN MET 588 44.553 -4.545 -8.541 300 HA MET 588 HA MET 588 45.366 -3.599 -11.120 301 HB2 MET 588 HB2 MET 588 46.016 -2.939 -8.521 302 HB3 MET 588 HB3 MET 588 47.459 -3.803 -9.051 303 HG2 MET 588 HG2 MET 588 47.803 -2.310 -10.873 304 HG3 MET 588 HG3 MET 588 46.198 -1.606 -10.709 305 HE1 MET 588 HE1 MET 588 49.263 -1.872 -7.587 306 HE2 MET 588 HE2 MET 588 50.095 -0.867 -8.769 307 HE3 MET 588 HE3 MET 588 49.437 -2.425 -9.257 308 H SER 589 HN SER 589 47.200 -4.234 -12.289 309 HA SER 589 HA SER 589 47.407 -7.015 -12.736 310 HB2 SER 589 HB2 SER 589 49.299 -6.337 -14.270 311 HB3 SER 589 HB3 SER 589 47.765 -5.522 -14.563 312 HG SER 589 HG SER 589 50.015 -4.362 -14.197 313 H LYS 590 HN LYS 590 49.091 -8.440 -12.496 314 HA LYS 590 HA LYS 590 50.495 -8.440 -10.029 315 HB2 LYS 590 HB2 LYS 590 49.703 -10.462 -11.238 316 HB3 LYS 590 HB3 LYS 590 50.909 -10.168 -12.487 317 HG2 LYS 590 HG2 LYS 590 52.712 -10.431 -10.812 318 HG3 LYS 590 HG3 LYS 590 51.501 -10.724 -9.557 319 HD2 LYS 590 HD2 LYS 590 50.676 -12.693 -10.822 320 HD3 LYS 590 HD3 LYS 590 51.913 -12.412 -12.048 321 HE2 LYS 590 HE2 LYS 590 53.675 -12.714 -10.330 322 HE3 LYS 590 HE3 LYS 590 52.432 -13.019 -9.118 323 HZ1 LYS 590 HZ1 LYS 590 52.845 -15.142 -9.717 324 HZ2 LYS 590 HZ2 LYS 590 53.390 -14.733 -11.271 325 HZ3 LYS 590 HZ3 LYS 590 51.726 -14.795 -10.941 326 H GLU 591 HN GLU 591 51.440 -7.665 -13.329 327 HA GLU 591 HA GLU 591 54.226 -7.648 -13.111 328 HB2 GLU 591 HB2 GLU 591 52.958 -7.448 -15.231 329 HB3 GLU 591 HB3 GLU 591 52.464 -5.821 -14.769 330 HG2 GLU 591 HG2 GLU 591 54.839 -5.113 -14.733 331 HG3 GLU 591 HG3 GLU 591 55.329 -6.738 -15.206 332 H LYS 592 HN LYS 592 51.873 -5.129 -12.271 333 HA LYS 592 HA LYS 592 53.744 -3.060 -11.769 334 HB2 LYS 592 HB2 LYS 592 50.923 -3.571 -10.871 335 HB3 LYS 592 HB3 LYS 592 51.843 -2.222 -10.206 336 HG2 LYS 592 HG2 LYS 592 52.174 -1.278 -12.425 337 HG3 LYS 592 HG3 LYS 592 51.411 -2.685 -13.177 338 HD2 LYS 592 HD2 LYS 592 49.307 -2.188 -12.121 339 HD3 LYS 592 HD3 LYS 592 50.017 -0.872 -11.190 340 HE2 LYS 592 HE2 LYS 592 49.913 -0.929 -14.218 341 HE3 LYS 592 HE3 LYS 592 48.694 -0.141 -13.217 342 HZ1 LYS 592 HZ1 LYS 592 50.246 1.389 -12.411 343 HZ2 LYS 592 HZ2 LYS 592 50.568 1.294 -14.075 344 HZ3 LYS 592 HZ3 LYS 592 51.574 0.493 -12.967 345 H LYS 593 HN LYS 593 52.405 -5.590 -9.677 346 HA LYS 593 HA LYS 593 53.555 -4.675 -7.252 347 HB2 LYS 593 HB2 LYS 593 51.769 -6.386 -7.443 348 HB3 LYS 593 HB3 LYS 593 52.956 -7.508 -8.103 349 HG2 LYS 593 HG2 LYS 593 54.264 -7.363 -6.021 350 HG3 LYS 593 HG3 LYS 593 53.078 -6.221 -5.365 351 HD2 LYS 593 HD2 LYS 593 51.306 -7.876 -5.639 352 HD3 LYS 593 HD3 LYS 593 52.478 -9.024 -6.291 353 HE2 LYS 593 HE2 LYS 593 53.696 -9.001 -4.161 354 HE3 LYS 593 HE3 LYS 593 52.555 -7.821 -3.510 355 HZ1 LYS 593 HZ1 LYS 593 51.891 -10.569 -4.422 356 HZ2 LYS 593 HZ2 LYS 593 50.774 -9.432 -3.838 357 HZ3 LYS 593 HZ3 LYS 593 51.975 -10.051 -2.811 358 H GLU 594 HN GLU 594 54.725 -6.764 -9.802 359 HA GLU 594 HA GLU 594 57.084 -7.678 -8.640 360 HB2 GLU 594 HB2 GLU 594 56.100 -8.524 -10.745 361 HB3 GLU 594 HB3 GLU 594 56.544 -7.021 -11.546 362 HG2 GLU 594 HG2 GLU 594 58.923 -7.466 -11.114 363 HG3 GLU 594 HG3 GLU 594 58.501 -8.952 -10.264 364 H GLU 595 HN GLU 595 56.428 -4.610 -10.403 365 HA GLU 595 HA GLU 595 59.141 -3.791 -10.470 366 HB2 GLU 595 HB2 GLU 595 58.429 -1.823 -11.390 367 HB3 GLU 595 HB3 GLU 595 56.985 -2.780 -11.667 368 HG2 GLU 595 HG2 GLU 595 56.005 -1.791 -9.556 369 HG3 GLU 595 HG3 GLU 595 57.430 -0.774 -9.429 370 H TRP 596 HN TRP 596 56.562 -3.148 -8.132 371 HA TRP 596 HA TRP 596 58.079 -1.503 -6.401 372 HB2 TRP 596 HB2 TRP 596 55.697 -3.275 -5.805 373 HB3 TRP 596 HB3 TRP 596 56.407 -2.145 -4.658 374 HD1 TRP 596 HD1 TRP 596 54.012 -2.329 -7.511 375 HE1 TRP 596 HE1 TRP 596 53.096 0.027 -8.013 376 HE3 TRP 596 HE3 TRP 596 57.197 0.477 -4.685 377 HZ2 TRP 596 HZ2 TRP 596 53.643 2.737 -7.315 378 HZ3 TRP 596 HZ3 TRP 596 56.979 2.944 -4.612 379 HH2 TRP 596 HH2 TRP 596 55.201 4.082 -5.926 380 H ASP 597 HN ASP 597 57.567 -5.009 -6.483 381 HA ASP 597 HA ASP 597 58.955 -5.661 -4.100 382 HB2 ASP 597 HB2 ASP 597 57.389 -7.151 -5.432 383 HB3 ASP 597 HB3 ASP 597 58.704 -7.388 -6.574 384 H ARG 598 HN ARG 598 59.962 -5.308 -7.466 385 HA ARG 598 HA ARG 598 62.624 -6.213 -7.211 386 HB2 ARG 598 HB2 ARG 598 61.441 -5.934 -9.370 387 HB3 ARG 598 HB3 ARG 598 61.480 -4.186 -9.153 388 HG2 ARG 598 HG2 ARG 598 63.946 -4.219 -9.159 389 HG3 ARG 598 HG3 ARG 598 63.929 -5.977 -9.327 390 HD2 ARG 598 HD2 ARG 598 64.278 -4.914 -11.521 391 HD3 ARG 598 HD3 ARG 598 62.733 -5.762 -11.481 392 HE ARG 598 HE ARG 598 61.627 -3.709 -11.627 393 HH11 ARG 598 HH11 ARG 598 65.051 -3.167 -11.084 394 HH12 ARG 598 HH12 ARG 598 64.948 -1.469 -11.407 395 HH21 ARG 598 HH21 ARG 598 61.536 -1.514 -12.026 396 HH22 ARG 598 HH22 ARG 598 62.964 -0.537 -11.939 397 H LYS 599 HN LYS 599 61.172 -2.960 -6.888 398 HA LYS 599 HA LYS 599 63.581 -1.520 -6.531 399 HB2 LYS 599 HB2 LYS 599 60.801 -0.966 -5.453 400 HB3 LYS 599 HB3 LYS 599 62.153 0.147 -5.288 401 HG2 LYS 599 HG2 LYS 599 62.347 0.270 -7.760 402 HG3 LYS 599 HG3 LYS 599 60.961 -0.817 -7.910 403 HD2 LYS 599 HD2 LYS 599 59.551 0.804 -6.674 404 HD3 LYS 599 HD3 LYS 599 60.929 1.897 -6.538 405 HE2 LYS 599 HE2 LYS 599 61.047 2.064 -8.999 406 HE3 LYS 599 HE3 LYS 599 59.675 0.967 -9.142 407 HZ1 LYS 599 HZ1 LYS 599 59.463 3.452 -7.559 408 HZ2 LYS 599 HZ2 LYS 599 58.224 2.533 -8.271 409 HZ3 LYS 599 HZ3 LYS 599 59.248 3.479 -9.240 410 H ALA 600 HN ALA 600 61.403 -3.121 -4.238 411 HA ALA 600 HA ALA 600 62.706 -2.347 -1.865 412 HB1 ALA 600 HB1 ALA 600 61.306 -3.867 -0.779 413 HB2 ALA 600 HB2 ALA 600 61.310 -4.990 -2.138 414 HB3 ALA 600 HB3 ALA 600 60.391 -3.489 -2.239 415 H GLU 601 HN GLU 601 63.129 -5.184 -3.967 416 HA GLU 601 HA GLU 601 65.069 -6.475 -2.326 417 HB2 GLU 601 HB2 GLU 601 64.439 -6.731 -5.267 418 HB3 GLU 601 HB3 GLU 601 65.632 -7.729 -4.437 419 HG2 GLU 601 HG2 GLU 601 63.930 -8.606 -2.931 420 HG3 GLU 601 HG3 GLU 601 62.716 -7.526 -3.619 421 H ASP 602 HN ASP 602 65.298 -4.196 -5.050 422 HA ASP 602 HA ASP 602 68.111 -4.321 -5.365 423 HB2 ASP 602 HB2 ASP 602 66.012 -2.326 -6.135 424 HB3 ASP 602 HB3 ASP 602 67.709 -1.871 -6.250 425 H ALA 603 HN ALA 603 66.011 -2.387 -3.285 426 HA ALA 603 HA ALA 603 68.038 -0.654 -2.301 427 HB1 ALA 603 HB1 ALA 603 65.867 0.131 -1.935 428 HB2 ALA 603 HB2 ALA 603 66.343 -0.448 -0.339 429 HB3 ALA 603 HB3 ALA 603 65.295 -1.435 -1.358 430 H ARG 604 HN ARG 604 66.704 -3.750 -1.180 431 HA ARG 604 HA ARG 604 68.125 -3.916 1.257 432 HB2 ARG 604 HB2 ARG 604 67.006 -6.055 -0.564 433 HB3 ARG 604 HB3 ARG 604 67.760 -6.416 0.987 434 HG2 ARG 604 HG2 ARG 604 66.095 -5.022 2.150 435 HG3 ARG 604 HG3 ARG 604 65.354 -4.593 0.606 436 HD2 ARG 604 HD2 ARG 604 64.795 -6.953 0.192 437 HD3 ARG 604 HD3 ARG 604 65.583 -7.420 1.694 438 HE ARG 604 HE ARG 604 63.643 -5.549 2.392 439 HH11 ARG 604 HH11 ARG 604 63.677 -8.685 0.832 440 HH12 ARG 604 HH12 ARG 604 62.111 -9.130 1.417 441 HH21 ARG 604 HH21 ARG 604 61.613 -6.181 3.169 442 HH22 ARG 604 HH22 ARG 604 60.950 -7.721 2.731 443 H ARG 605 HN ARG 605 68.888 -5.095 -2.020 444 HA ARG 605 HA ARG 605 71.408 -6.260 -1.335 445 HB2 ARG 605 HB2 ARG 605 70.261 -5.331 -3.978 446 HB3 ARG 605 HB3 ARG 605 71.849 -6.081 -3.832 447 HG2 ARG 605 HG2 ARG 605 70.772 -8.087 -2.796 448 HG3 ARG 605 HG3 ARG 605 69.195 -7.339 -3.061 449 HD2 ARG 605 HD2 ARG 605 71.180 -7.830 -5.295 450 HD3 ARG 605 HD3 ARG 605 69.917 -8.982 -4.872 451 HE ARG 605 HE ARG 605 68.643 -6.535 -5.249 452 HH11 ARG 605 HH11 ARG 605 70.554 -8.742 -7.196 453 HH12 ARG 605 HH12 ARG 605 69.790 -8.278 -8.679 454 HH21 ARG 605 HH21 ARG 605 67.689 -5.954 -7.199 455 HH22 ARG 605 HH22 ARG 605 68.178 -6.708 -8.678 456 H ASP 606 HN ASP 606 70.402 -3.097 -2.527 457 HA ASP 606 HA ASP 606 72.965 -2.018 -2.994 458 HB2 ASP 606 HB2 ASP 606 70.232 -0.875 -2.580 459 HB3 ASP 606 HB3 ASP 606 71.619 0.207 -2.551 460 H TYR 607 HN TYR 607 70.934 -2.130 -0.089 461 HA TYR 607 HA TYR 607 72.422 -0.342 1.526 462 HB2 TYR 607 HB2 TYR 607 70.114 -1.358 1.994 463 HB3 TYR 607 HB3 TYR 607 70.977 -2.792 2.537 464 HD1 TYR 607 HD1 TYR 607 69.988 0.616 3.347 465 HD2 TYR 607 HD2 TYR 607 72.564 -2.629 4.537 466 HE1 TYR 607 HE1 TYR 607 70.241 1.634 5.597 467 HE2 TYR 607 HE2 TYR 607 72.813 -1.599 6.780 468 HH TYR 607 HH TYR 607 72.256 1.412 7.501 469 H GLU 608 HN GLU 608 72.588 -3.855 1.062 470 HA GLU 608 HA GLU 608 74.598 -4.482 2.903 471 HB2 GLU 608 HB2 GLU 608 73.949 -5.688 0.200 472 HB3 GLU 608 HB3 GLU 608 75.111 -6.392 1.321 473 HG2 GLU 608 HG2 GLU 608 72.189 -5.877 1.974 474 HG3 GLU 608 HG3 GLU 608 72.840 -7.434 1.474 475 H LYS 609 HN LYS 609 74.803 -3.329 -0.453 476 HA LYS 609 HA LYS 609 77.597 -3.556 -0.798 477 HB2 LYS 609 HB2 LYS 609 75.621 -1.615 -2.029 478 HB3 LYS 609 HB3 LYS 609 77.291 -1.799 -2.560 479 HG2 LYS 609 HG2 LYS 609 76.874 -4.171 -3.096 480 HG3 LYS 609 HG3 LYS 609 75.205 -4.005 -2.546 481 HD2 LYS 609 HD2 LYS 609 74.799 -2.290 -4.289 482 HD3 LYS 609 HD3 LYS 609 76.464 -2.473 -4.849 483 HE2 LYS 609 HE2 LYS 609 76.054 -4.823 -5.403 484 HE3 LYS 609 HE3 LYS 609 74.410 -4.705 -4.780 485 HZ1 LYS 609 HZ1 LYS 609 75.556 -3.417 -7.184 486 HZ2 LYS 609 HZ2 LYS 609 74.118 -2.861 -6.477 487 HZ3 LYS 609 HZ3 LYS 609 74.213 -4.446 -7.077 488 H ALA 610 HN ALA 610 75.582 -0.922 0.473 489 HA ALA 610 HA ALA 610 77.670 0.970 0.827 490 HB1 ALA 610 HB1 ALA 610 74.935 0.650 2.030 491 HB2 ALA 610 HB2 ALA 610 75.498 1.865 0.881 492 HB3 ALA 610 HB3 ALA 610 76.026 1.928 2.562 493 H MET 611 HN MET 611 76.331 -1.577 2.855 494 HA MET 611 HA MET 611 77.664 -0.907 5.254 495 HB2 MET 611 HB2 MET 611 76.657 -3.566 4.213 496 HB3 MET 611 HB3 MET 611 77.224 -3.298 5.860 497 HG2 MET 611 HG2 MET 611 74.888 -1.877 4.546 498 HG3 MET 611 HG3 MET 611 74.756 -3.157 5.742 499 HE1 MET 611 HE1 MET 611 74.880 -2.756 8.339 500 HE2 MET 611 HE2 MET 611 76.045 -1.601 8.991 501 HE3 MET 611 HE3 MET 611 76.582 -2.857 7.875 502 H LYS 612 HN LYS 612 78.558 -2.841 2.415 503 HA LYS 612 HA LYS 612 80.889 -4.047 3.462 504 HB2 LYS 612 HB2 LYS 612 80.085 -3.360 0.633 505 HB3 LYS 612 HB3 LYS 612 81.561 -4.240 1.026 506 HG2 LYS 612 HG2 LYS 612 80.246 -6.004 2.126 507 HG3 LYS 612 HG3 LYS 612 78.757 -5.120 1.789 508 HD2 LYS 612 HD2 LYS 612 79.271 -5.258 -0.651 509 HD3 LYS 612 HD3 LYS 612 80.674 -6.255 -0.269 510 HE2 LYS 612 HE2 LYS 612 77.820 -6.954 0.487 511 HE3 LYS 612 HE3 LYS 612 78.659 -7.597 -0.924 512 HZ1 LYS 612 HZ1 LYS 612 79.030 -9.210 0.650 513 HZ2 LYS 612 HZ2 LYS 612 79.166 -8.107 1.931 514 HZ3 LYS 612 HZ3 LYS 612 80.432 -8.273 0.812 515 H GLU 613 HN GLU 613 80.390 -0.951 1.757 516 HA GLU 613 HA GLU 613 83.228 -0.305 1.863 517 HB2 GLU 613 HB2 GLU 613 80.822 1.304 0.994 518 HB3 GLU 613 HB3 GLU 613 82.459 1.956 1.031 519 HG2 GLU 613 HG2 GLU 613 83.215 0.241 -0.553 520 HG3 GLU 613 HG3 GLU 613 81.612 -0.493 -0.554 521 H TYR 614 HN TYR 614 80.320 0.428 3.691 522 HA TYR 614 HA TYR 614 81.247 2.618 5.199 523 HB2 TYR 614 HB2 TYR 614 78.883 2.012 5.137 524 HB3 TYR 614 HB3 TYR 614 79.227 0.457 5.889 525 HD1 TYR 614 HD1 TYR 614 79.509 4.157 6.480 526 HD2 TYR 614 HD2 TYR 614 79.193 0.246 8.243 527 HE1 TYR 614 HE1 TYR 614 79.213 5.188 8.721 528 HE2 TYR 614 HE2 TYR 614 78.897 1.275 10.479 529 HH TYR 614 HH TYR 614 78.265 3.317 11.493 530 H GLU 615 HN GLU 615 81.329 -0.874 5.821 531 HA GLU 615 HA GLU 615 82.609 -0.755 8.340 532 HB2 GLU 615 HB2 GLU 615 81.369 -2.722 7.454 533 HB3 GLU 615 HB3 GLU 615 82.665 -2.981 6.288 534 HG2 GLU 615 HG2 GLU 615 84.272 -3.355 8.095 535 HG3 GLU 615 HG3 GLU 615 83.043 -2.983 9.303 536 H GLY 616 HN GLY 616 83.838 -1.047 5.034 537 HA2 GLY 616 HA2 GLY 616 86.586 -1.326 5.839 538 HA3 GLY 616 HA3 GLY 616 85.996 -1.075 4.198 539 H GLY 617 HN GLY 617 88.242 0.173 5.599 540 HA2 GLY 617 HA2 GLY 617 88.449 2.626 4.598 541 HA3 GLY 617 HA3 GLY 617 87.431 2.949 5.998 Start of MODEL 20 1 H MET 551 HT1 MET 551 55.058 -7.542 2.891 2 HA MET 551 HA MET 551 56.017 -8.765 0.820 3 HB2 MET 551 HB2 MET 551 53.451 -7.482 -0.177 4 HB3 MET 551 HB3 MET 551 54.788 -7.948 -1.229 5 HG2 MET 551 HG2 MET 551 54.572 -10.302 -0.460 6 HG3 MET 551 HG3 MET 551 53.212 -9.833 0.566 7 HE1 MET 551 HE1 MET 551 50.868 -11.413 -1.502 8 HE2 MET 551 HE2 MET 551 52.184 -11.693 -0.367 9 HE3 MET 551 HE3 MET 551 52.375 -12.156 -2.054 10 H SER 552 HN SER 552 57.612 -7.481 0.093 11 HA SER 552 HA SER 552 57.940 -4.859 1.116 12 HB2 SER 552 HB2 SER 552 59.939 -4.777 -0.330 13 HB3 SER 552 HB3 SER 552 59.856 -6.273 0.600 14 HG SER 552 HG SER 552 59.404 -7.374 -1.186 15 H ALA 553 HN ALA 553 56.909 -6.086 -2.043 16 HA ALA 553 HA ALA 553 56.887 -3.610 -3.425 17 HB1 ALA 553 HB1 ALA 553 54.978 -4.890 -4.742 18 HB2 ALA 553 HB2 ALA 553 55.538 -6.262 -3.784 19 HB3 ALA 553 HB3 ALA 553 56.656 -5.426 -4.860 20 H TYR 554 HN TYR 554 54.530 -5.284 -1.440 21 HA TYR 554 HA TYR 554 52.304 -3.599 -1.839 22 HB2 TYR 554 HB2 TYR 554 52.181 -5.864 -0.903 23 HB3 TYR 554 HB3 TYR 554 53.107 -5.354 0.501 24 HD1 TYR 554 HD1 TYR 554 49.908 -4.774 -1.336 25 HD2 TYR 554 HD2 TYR 554 52.020 -4.410 2.392 26 HE1 TYR 554 HE1 TYR 554 47.781 -4.193 -0.189 27 HE2 TYR 554 HE2 TYR 554 49.897 -3.825 3.537 28 HH TYR 554 HH TYR 554 47.245 -4.432 2.889 29 H MET 555 HN MET 555 54.928 -3.579 0.578 30 HA MET 555 HA MET 555 53.961 -1.454 2.164 31 HB2 MET 555 HB2 MET 555 55.723 -3.023 2.904 32 HB3 MET 555 HB3 MET 555 56.832 -2.347 1.713 33 HG2 MET 555 HG2 MET 555 56.761 -0.158 2.840 34 HG3 MET 555 HG3 MET 555 55.545 -0.756 3.969 35 HE1 MET 555 HE1 MET 555 59.967 -1.257 3.683 36 HE2 MET 555 HE2 MET 555 58.816 -1.293 2.349 37 HE3 MET 555 HE3 MET 555 59.336 -2.801 3.096 38 H LEU 556 HN LEU 556 56.271 -1.449 -0.568 39 HA LEU 556 HA LEU 556 56.765 1.349 -0.552 40 HB2 LEU 556 HB2 LEU 556 56.960 -0.697 -2.779 41 HB3 LEU 556 HB3 LEU 556 57.474 0.976 -2.954 42 HG LEU 556 HG LEU 556 58.570 -0.885 -0.814 43 HD11 LEU 556 HD11 LEU 556 59.662 -0.183 -3.565 44 HD12 LEU 556 HD12 LEU 556 59.125 -1.775 -3.034 45 HD13 LEU 556 HD13 LEU 556 60.569 -1.050 -2.324 46 HD21 LEU 556 HD21 LEU 556 59.388 1.836 -1.894 47 HD22 LEU 556 HD22 LEU 556 60.454 0.841 -0.902 48 HD23 LEU 556 HD23 LEU 556 58.933 1.436 -0.238 49 H TRP 557 HN TRP 557 54.459 -0.673 -2.318 50 HA TRP 557 HA TRP 557 53.287 1.308 -3.957 51 HB2 TRP 557 HB2 TRP 557 53.066 -1.077 -4.385 52 HB3 TRP 557 HB3 TRP 557 52.264 -1.315 -2.845 53 HD1 TRP 557 HD1 TRP 557 51.573 -0.638 -6.440 54 HE1 TRP 557 HE1 TRP 557 49.034 -0.349 -6.783 55 HE3 TRP 557 HE3 TRP 557 50.060 -0.103 -1.594 56 HZ2 TRP 557 HZ2 TRP 557 46.687 0.042 -5.221 57 HZ3 TRP 557 HZ3 TRP 557 47.679 0.236 -1.054 58 HH2 TRP 557 HH2 TRP 557 45.976 0.307 -2.860 59 H LEU 558 HN LEU 558 52.463 0.100 -0.727 60 HA LEU 558 HA LEU 558 50.066 1.542 -0.352 61 HB2 LEU 558 HB2 LEU 558 51.194 -0.409 1.030 62 HB3 LEU 558 HB3 LEU 558 51.901 0.913 1.943 63 HG LEU 558 HG LEU 558 48.928 0.395 1.529 64 HD11 LEU 558 HD11 LEU 558 48.948 -0.122 3.930 65 HD12 LEU 558 HD12 LEU 558 50.668 0.260 4.017 66 HD13 LEU 558 HD13 LEU 558 50.124 -1.140 3.096 67 HD21 LEU 558 HD21 LEU 558 50.410 2.648 2.921 68 HD22 LEU 558 HD22 LEU 558 48.761 2.213 3.369 69 HD23 LEU 558 HD23 LEU 558 49.109 2.767 1.736 70 H ASN 559 HN ASN 559 53.470 2.344 0.365 71 HA ASN 559 HA ASN 559 52.974 4.718 1.798 72 HB2 ASN 559 HB2 ASN 559 55.312 3.755 0.169 73 HB3 ASN 559 HB3 ASN 559 55.320 5.343 0.925 74 HD21 ASN 559 HD21 ASN 559 57.180 3.353 1.663 75 HD22 ASN 559 HD22 ASN 559 56.862 2.863 3.260 76 H ALA 560 HN ALA 560 53.568 4.180 -1.667 77 HA ALA 560 HA ALA 560 53.311 6.946 -2.366 78 HB1 ALA 560 HB1 ALA 560 54.606 5.557 -3.808 79 HB2 ALA 560 HB2 ALA 560 53.160 6.006 -4.711 80 HB3 ALA 560 HB3 ALA 560 53.287 4.401 -3.991 81 H SER 561 HN SER 561 51.159 4.164 -2.375 82 HA SER 561 HA SER 561 48.972 5.486 -3.645 83 HB2 SER 561 HB2 SER 561 49.225 2.881 -2.154 84 HB3 SER 561 HB3 SER 561 47.682 3.455 -2.785 85 HG SER 561 HG SER 561 49.701 2.273 -4.086 86 H ARG 562 HN ARG 562 50.014 5.244 -0.319 87 HA ARG 562 HA ARG 562 47.640 5.610 1.074 88 HB2 ARG 562 HB2 ARG 562 49.828 5.136 2.128 89 HB3 ARG 562 HB3 ARG 562 50.360 6.772 1.749 90 HG2 ARG 562 HG2 ARG 562 48.586 7.702 3.186 91 HG3 ARG 562 HG3 ARG 562 47.975 6.076 3.507 92 HD2 ARG 562 HD2 ARG 562 49.382 6.753 5.382 93 HD3 ARG 562 HD3 ARG 562 50.198 5.474 4.487 94 HE ARG 562 HE ARG 562 51.830 7.027 3.806 95 HH11 ARG 562 HH11 ARG 562 49.198 8.677 5.436 96 HH12 ARG 562 HH12 ARG 562 50.074 10.160 5.603 97 HH21 ARG 562 HH21 ARG 562 52.940 8.972 4.070 98 HH22 ARG 562 HH22 ARG 562 52.181 10.324 4.838 99 H GLU 563 HN GLU 563 49.735 8.093 -0.395 100 HA GLU 563 HA GLU 563 48.235 10.320 0.541 101 HB2 GLU 563 HB2 GLU 563 50.582 10.468 -0.232 102 HB3 GLU 563 HB3 GLU 563 50.061 10.079 -1.868 103 HG2 GLU 563 HG2 GLU 563 50.315 12.466 -1.767 104 HG3 GLU 563 HG3 GLU 563 48.586 12.147 -1.788 105 H LYS 564 HN LYS 564 48.167 8.439 -2.458 106 HA LYS 564 HA LYS 564 46.256 10.008 -3.842 107 HB2 LYS 564 HB2 LYS 564 47.765 8.314 -4.885 108 HB3 LYS 564 HB3 LYS 564 46.822 7.040 -4.118 109 HG2 LYS 564 HG2 LYS 564 44.808 7.769 -5.354 110 HG3 LYS 564 HG3 LYS 564 45.734 9.072 -6.105 111 HD2 LYS 564 HD2 LYS 564 47.258 7.395 -7.129 112 HD3 LYS 564 HD3 LYS 564 46.306 6.098 -6.404 113 HE2 LYS 564 HE2 LYS 564 44.310 6.861 -7.655 114 HE3 LYS 564 HE3 LYS 564 45.262 8.150 -8.386 115 HZ1 LYS 564 HZ1 LYS 564 44.925 5.677 -9.424 116 HZ2 LYS 564 HZ2 LYS 564 46.444 5.539 -8.681 117 HZ3 LYS 564 HZ3 LYS 564 46.171 6.746 -9.843 118 H ILE 565 HN ILE 565 45.919 7.086 -1.845 119 HA ILE 565 HA ILE 565 43.099 6.875 -2.108 120 HB ILE 565 HB ILE 565 44.867 5.760 0.101 121 HG12 ILE 565 HG12 ILE 565 43.851 4.336 -2.382 122 HG13 ILE 565 HG13 ILE 565 45.417 5.135 -2.349 123 HG21 ILE 565 HG21 ILE 565 42.377 5.837 0.543 124 HG22 ILE 565 HG22 ILE 565 43.039 4.203 0.495 125 HG23 ILE 565 HG23 ILE 565 42.145 4.835 -0.887 126 HD11 ILE 565 HD11 ILE 565 44.603 3.009 -0.339 127 HD12 ILE 565 HD12 ILE 565 46.215 3.678 -0.590 128 HD13 ILE 565 HD13 ILE 565 45.485 2.653 -1.824 129 H LYS 566 HN LYS 566 45.187 8.324 0.386 130 HA LYS 566 HA LYS 566 43.134 9.062 2.170 131 HB2 LYS 566 HB2 LYS 566 45.559 9.026 2.743 132 HB3 LYS 566 HB3 LYS 566 45.795 10.450 1.731 133 HG2 LYS 566 HG2 LYS 566 44.237 11.740 3.159 134 HG3 LYS 566 HG3 LYS 566 43.969 10.310 4.163 135 HD2 LYS 566 HD2 LYS 566 46.382 10.259 4.740 136 HD3 LYS 566 HD3 LYS 566 46.644 11.701 3.756 137 HE2 LYS 566 HE2 LYS 566 45.114 12.986 5.199 138 HE3 LYS 566 HE3 LYS 566 44.805 11.548 6.172 139 HZ1 LYS 566 HZ1 LYS 566 46.709 13.359 6.707 140 HZ2 LYS 566 HZ2 LYS 566 47.605 12.209 5.837 141 HZ3 LYS 566 HZ3 LYS 566 46.756 11.747 7.233 142 H SER 567 HN SER 567 44.629 10.807 -0.546 143 HA SER 567 HA SER 567 43.138 13.211 -0.152 144 HB2 SER 567 HB2 SER 567 44.635 12.135 -2.547 145 HB3 SER 567 HB3 SER 567 43.874 13.725 -2.504 146 HG SER 567 HG SER 567 45.671 14.317 -1.588 147 H ASP 568 HN ASP 568 42.681 10.340 -2.172 148 HA ASP 568 HA ASP 568 40.391 11.318 -3.575 149 HB2 ASP 568 HB2 ASP 568 41.710 8.655 -3.233 150 HB3 ASP 568 HB3 ASP 568 40.087 8.718 -3.915 151 H HIS 569 HN HIS 569 40.856 9.596 -0.545 152 HA HIS 569 HA HIS 569 37.930 9.716 -0.092 153 HB2 HIS 569 HB2 HIS 569 39.628 7.582 1.184 154 HB3 HIS 569 HB3 HIS 569 37.878 7.633 0.997 155 HD2 HIS 569 HD2 HIS 569 41.047 6.567 -1.004 156 HE1 HIS 569 HE1 HIS 569 37.686 5.595 -3.352 157 HE2 HIS 569 HE2 HIS 569 40.205 5.337 -3.146 158 HA PRO 570 HA PRO 570 40.279 12.136 3.129 159 HB2 PRO 570 HB2 PRO 570 37.919 13.919 2.894 160 HB3 PRO 570 HB3 PRO 570 39.645 14.319 2.828 161 HG2 PRO 570 HG2 PRO 570 38.144 14.396 0.644 162 HG3 PRO 570 HG3 PRO 570 39.815 13.798 0.589 163 HD2 PRO 570 HD2 PRO 570 37.257 12.208 0.659 164 HD3 PRO 570 HD3 PRO 570 38.696 11.974 -0.361 165 H GLY 571 HN GLY 571 39.918 12.101 5.314 166 HA2 GLY 571 HA2 GLY 571 38.703 11.948 7.310 167 HA3 GLY 571 HA3 GLY 571 37.246 11.653 6.374 168 H ILE 572 HN ILE 572 39.651 9.605 5.214 169 HA ILE 572 HA ILE 572 38.457 7.367 6.637 170 HB ILE 572 HB ILE 572 38.701 7.211 4.185 171 HG12 ILE 572 HG12 ILE 572 40.552 5.236 5.549 172 HG13 ILE 572 HG13 ILE 572 38.808 5.221 5.811 173 HG21 ILE 572 HG21 ILE 572 40.923 8.523 4.197 174 HG22 ILE 572 HG22 ILE 572 40.814 7.145 3.099 175 HG23 ILE 572 HG23 ILE 572 41.683 6.991 4.625 176 HD11 ILE 572 HD11 ILE 572 38.348 4.595 3.598 177 HD12 ILE 572 HD12 ILE 572 39.820 3.691 3.945 178 HD13 ILE 572 HD13 ILE 572 39.903 5.179 3.002 179 H SER 573 HN SER 573 39.482 6.033 8.017 180 HA SER 573 HA SER 573 41.759 7.102 9.408 181 HB2 SER 573 HB2 SER 573 41.459 5.219 10.922 182 HB3 SER 573 HB3 SER 573 39.898 5.962 10.573 183 HG SER 573 HG SER 573 39.320 4.245 9.442 184 H ILE 574 HN ILE 574 43.652 5.742 9.965 185 HA ILE 574 HA ILE 574 45.098 4.997 7.656 186 HB ILE 574 HB ILE 574 45.606 4.437 10.604 187 HG12 ILE 574 HG12 ILE 574 46.897 6.449 8.727 188 HG13 ILE 574 HG13 ILE 574 45.521 6.838 9.756 189 HG21 ILE 574 HG21 ILE 574 48.042 4.167 9.713 190 HG22 ILE 574 HG22 ILE 574 47.289 3.904 8.140 191 HG23 ILE 574 HG23 ILE 574 46.934 2.812 9.478 192 HD11 ILE 574 HD11 ILE 574 46.781 6.532 11.756 193 HD12 ILE 574 HD12 ILE 574 47.865 7.410 10.679 194 HD13 ILE 574 HD13 ILE 574 48.071 5.674 10.909 195 H THR 575 HN THR 575 43.484 3.090 10.167 196 HA THR 575 HA THR 575 44.241 0.532 9.284 197 HB THR 575 HB THR 575 41.627 1.235 10.625 198 HG1 THR 575 HG3 THR 575 44.099 0.703 11.881 199 HG21 THR 575 HG21 THR 575 41.905 -1.104 9.886 200 HG22 THR 575 HG22 THR 575 41.920 -0.986 11.645 201 HG23 THR 575 HG23 THR 575 43.432 -1.197 10.764 202 H ASP 576 HN ASP 576 41.432 2.558 8.506 203 HA ASP 576 HA ASP 576 40.120 0.693 6.823 204 HB2 ASP 576 HB2 ASP 576 39.974 3.663 7.197 205 HB3 ASP 576 HB3 ASP 576 39.171 2.931 5.811 206 H LEU 577 HN LEU 577 42.618 3.113 6.247 207 HA LEU 577 HA LEU 577 42.618 3.098 3.425 208 HB2 LEU 577 HB2 LEU 577 44.758 3.688 5.468 209 HB3 LEU 577 HB3 LEU 577 45.110 3.716 3.747 210 HG LEU 577 HG LEU 577 42.951 5.384 5.088 211 HD11 LEU 577 HD11 LEU 577 44.517 7.251 4.809 212 HD12 LEU 577 HD12 LEU 577 45.683 6.176 4.033 213 HD13 LEU 577 HD13 LEU 577 45.298 5.971 5.740 214 HD21 LEU 577 HD21 LEU 577 42.390 5.072 2.763 215 HD22 LEU 577 HD22 LEU 577 44.069 5.272 2.268 216 HD23 LEU 577 HD23 LEU 577 43.158 6.658 2.868 217 H SER 578 HN SER 578 44.298 1.084 5.817 218 HA SER 578 HA SER 578 45.989 -0.326 4.084 219 HB2 SER 578 HB2 SER 578 46.391 -0.552 6.405 220 HB3 SER 578 HB3 SER 578 44.728 -1.030 6.730 221 HG SER 578 HG SER 578 45.950 -2.875 6.718 222 H LYS 579 HN LYS 579 42.630 -0.955 5.067 223 HA LYS 579 HA LYS 579 42.319 -3.447 3.757 224 HB2 LYS 579 HB2 LYS 579 40.300 -1.293 4.426 225 HB3 LYS 579 HB3 LYS 579 39.867 -2.873 3.774 226 HG2 LYS 579 HG2 LYS 579 40.929 -3.976 5.722 227 HG3 LYS 579 HG3 LYS 579 41.354 -2.391 6.382 228 HD2 LYS 579 HD2 LYS 579 38.946 -1.773 6.415 229 HD3 LYS 579 HD3 LYS 579 38.536 -3.386 5.833 230 HE2 LYS 579 HE2 LYS 579 40.054 -2.847 8.404 231 HE3 LYS 579 HE3 LYS 579 38.316 -3.126 8.327 232 HZ1 LYS 579 HZ1 LYS 579 39.875 -5.121 6.946 233 HZ2 LYS 579 HZ2 LYS 579 38.605 -5.308 8.059 234 HZ3 LYS 579 HZ3 LYS 579 40.189 -5.048 8.612 235 H LYS 580 HN LYS 580 41.736 -0.106 2.714 236 HA LYS 580 HA LYS 580 40.743 -0.687 0.117 237 HB2 LYS 580 HB2 LYS 580 42.016 1.754 1.356 238 HB3 LYS 580 HB3 LYS 580 41.588 1.714 -0.357 239 HG2 LYS 580 HG2 LYS 580 39.238 1.112 0.285 240 HG3 LYS 580 HG3 LYS 580 39.699 1.299 1.983 241 HD2 LYS 580 HD2 LYS 580 40.334 3.641 1.593 242 HD3 LYS 580 HD3 LYS 580 39.944 3.474 -0.121 243 HE2 LYS 580 HE2 LYS 580 37.595 3.005 0.434 244 HE3 LYS 580 HE3 LYS 580 37.965 3.121 2.154 245 HZ1 LYS 580 HZ1 LYS 580 38.943 5.448 1.127 246 HZ2 LYS 580 HZ2 LYS 580 37.461 5.266 1.934 247 HZ3 LYS 580 HZ3 LYS 580 37.518 5.207 0.237 248 H ALA 581 HN ALA 581 43.967 -0.181 1.407 249 HA ALA 581 HA ALA 581 45.396 0.039 -0.998 250 HB1 ALA 581 HB1 ALA 581 47.252 -1.017 0.550 251 HB2 ALA 581 HB2 ALA 581 46.042 -0.788 1.812 252 HB3 ALA 581 HB3 ALA 581 46.630 0.597 0.895 253 H GLY 582 HN GLY 582 44.523 -2.773 0.980 254 HA2 GLY 582 HA2 GLY 582 45.804 -4.711 -0.670 255 HA3 GLY 582 HA3 GLY 582 44.563 -5.036 0.539 256 H GLU 583 HN GLU 583 42.529 -3.345 -0.559 257 HA GLU 583 HA GLU 583 41.336 -5.131 -2.411 258 HB2 GLU 583 HB2 GLU 583 40.033 -3.756 -0.848 259 HB3 GLU 583 HB3 GLU 583 40.566 -2.292 -1.671 260 HG2 GLU 583 HG2 GLU 583 39.432 -3.010 -3.733 261 HG3 GLU 583 HG3 GLU 583 38.947 -4.520 -2.966 262 H ILE 584 HN ILE 584 42.860 -1.933 -2.833 263 HA ILE 584 HA ILE 584 42.284 -1.720 -5.594 264 HB ILE 584 HB ILE 584 44.454 -0.409 -3.912 265 HG12 ILE 584 HG12 ILE 584 41.861 0.688 -5.073 266 HG13 ILE 584 HG13 ILE 584 41.988 0.042 -3.440 267 HG21 ILE 584 HG21 ILE 584 45.158 -0.429 -6.272 268 HG22 ILE 584 HG22 ILE 584 44.613 1.196 -5.858 269 HG23 ILE 584 HG23 ILE 584 43.564 0.120 -6.782 270 HD11 ILE 584 HD11 ILE 584 42.202 2.536 -3.507 271 HD12 ILE 584 HD12 ILE 584 43.650 2.360 -4.500 272 HD13 ILE 584 HD13 ILE 584 43.638 1.754 -2.843 273 H TRP 585 HN TRP 585 45.093 -2.991 -3.825 274 HA TRP 585 HA TRP 585 46.778 -3.546 -5.981 275 HB2 TRP 585 HB2 TRP 585 46.619 -4.254 -3.176 276 HB3 TRP 585 HB3 TRP 585 47.025 -5.702 -4.092 277 HD1 TRP 585 HD1 TRP 585 48.761 -3.311 -2.294 278 HE1 TRP 585 HE1 TRP 585 51.110 -2.803 -3.266 279 HE3 TRP 585 HE3 TRP 585 48.178 -5.239 -6.930 280 HZ2 TRP 585 HZ2 TRP 585 52.533 -3.167 -5.752 281 HZ3 TRP 585 HZ3 TRP 585 50.007 -5.166 -8.596 282 HH2 TRP 585 HH2 TRP 585 52.185 -4.133 -7.999 283 H LYS 586 HN LYS 586 44.289 -5.547 -4.498 284 HA LYS 586 HA LYS 586 44.658 -7.875 -6.030 285 HB2 LYS 586 HB2 LYS 586 42.222 -6.759 -4.640 286 HB3 LYS 586 HB3 LYS 586 42.200 -8.315 -5.466 287 HG2 LYS 586 HG2 LYS 586 44.048 -9.117 -4.018 288 HG3 LYS 586 HG3 LYS 586 44.075 -7.558 -3.191 289 HD2 LYS 586 HD2 LYS 586 41.722 -7.891 -2.474 290 HD3 LYS 586 HD3 LYS 586 41.699 -9.455 -3.290 291 HE2 LYS 586 HE2 LYS 586 43.506 -10.266 -1.822 292 HE3 LYS 586 HE3 LYS 586 43.565 -8.702 -1.014 293 HZ1 LYS 586 HZ1 LYS 586 42.113 -9.639 0.389 294 HZ2 LYS 586 HZ2 LYS 586 41.689 -10.875 -0.694 295 HZ3 LYS 586 HZ3 LYS 586 40.956 -9.347 -0.818 296 H GLY 587 HN GLY 587 42.760 -4.955 -6.724 297 HA2 GLY 587 HA2 GLY 587 41.609 -6.094 -9.143 298 HA3 GLY 587 HA3 GLY 587 41.403 -4.444 -8.568 299 H MET 588 HN MET 588 44.495 -4.407 -8.303 300 HA MET 588 HA MET 588 45.006 -3.182 -10.839 301 HB2 MET 588 HB2 MET 588 45.897 -2.429 -8.584 302 HB3 MET 588 HB3 MET 588 47.031 -3.780 -8.682 303 HG2 MET 588 HG2 MET 588 48.080 -2.899 -10.631 304 HG3 MET 588 HG3 MET 588 46.763 -1.757 -10.924 305 HE1 MET 588 HE1 MET 588 49.737 -2.860 -9.342 306 HE2 MET 588 HE2 MET 588 49.878 -2.070 -7.776 307 HE3 MET 588 HE3 MET 588 50.599 -1.328 -9.198 308 H SER 589 HN SER 589 46.708 -3.707 -12.267 309 HA SER 589 HA SER 589 46.695 -6.357 -13.184 310 HB2 SER 589 HB2 SER 589 47.081 -4.573 -14.721 311 HB3 SER 589 HB3 SER 589 48.484 -4.007 -13.818 312 HG SER 589 HG SER 589 48.457 -5.707 -15.794 313 H LYS 590 HN LYS 590 48.164 -7.976 -13.207 314 HA LYS 590 HA LYS 590 49.745 -8.459 -10.904 315 HB2 LYS 590 HB2 LYS 590 48.626 -10.211 -12.257 316 HB3 LYS 590 HB3 LYS 590 49.720 -9.868 -13.592 317 HG2 LYS 590 HG2 LYS 590 50.518 -11.837 -12.400 318 HG3 LYS 590 HG3 LYS 590 51.651 -10.517 -12.115 319 HD2 LYS 590 HD2 LYS 590 50.643 -10.086 -9.925 320 HD3 LYS 590 HD3 LYS 590 49.425 -11.332 -10.216 321 HE2 LYS 590 HE2 LYS 590 51.185 -13.053 -10.350 322 HE3 LYS 590 HE3 LYS 590 52.424 -11.821 -10.106 323 HZ1 LYS 590 HZ1 LYS 590 52.125 -12.627 -7.992 324 HZ2 LYS 590 HZ2 LYS 590 50.459 -12.885 -8.191 325 HZ3 LYS 590 HZ3 LYS 590 51.056 -11.310 -7.982 326 H GLU 591 HN GLU 591 50.510 -7.302 -14.125 327 HA GLU 591 HA GLU 591 53.276 -7.656 -14.206 328 HB2 GLU 591 HB2 GLU 591 51.551 -5.460 -15.373 329 HB3 GLU 591 HB3 GLU 591 53.264 -5.641 -15.739 330 HG2 GLU 591 HG2 GLU 591 52.863 -7.882 -16.663 331 HG3 GLU 591 HG3 GLU 591 51.158 -7.781 -16.224 332 H LYS 592 HN LYS 592 51.373 -5.026 -12.775 333 HA LYS 592 HA LYS 592 53.572 -3.363 -12.099 334 HB2 LYS 592 HB2 LYS 592 50.778 -3.553 -10.985 335 HB3 LYS 592 HB3 LYS 592 51.960 -2.385 -10.393 336 HG2 LYS 592 HG2 LYS 592 52.193 -1.449 -12.671 337 HG3 LYS 592 HG3 LYS 592 51.016 -2.623 -13.275 338 HD2 LYS 592 HD2 LYS 592 49.316 -1.711 -11.753 339 HD3 LYS 592 HD3 LYS 592 50.473 -0.546 -11.125 340 HE2 LYS 592 HE2 LYS 592 50.673 0.460 -13.365 341 HE3 LYS 592 HE3 LYS 592 49.521 -0.716 -14.000 342 HZ1 LYS 592 HZ1 LYS 592 47.818 0.156 -12.595 343 HZ2 LYS 592 HZ2 LYS 592 48.522 1.461 -13.422 344 HZ3 LYS 592 HZ3 LYS 592 48.911 1.177 -11.793 345 H LYS 593 HN LYS 593 52.047 -6.091 -10.480 346 HA LYS 593 HA LYS 593 53.182 -5.753 -7.920 347 HB2 LYS 593 HB2 LYS 593 51.391 -7.477 -8.990 348 HB3 LYS 593 HB3 LYS 593 52.829 -8.495 -9.020 349 HG2 LYS 593 HG2 LYS 593 51.943 -7.026 -6.527 350 HG3 LYS 593 HG3 LYS 593 51.422 -8.671 -6.900 351 HD2 LYS 593 HD2 LYS 593 53.829 -9.343 -7.062 352 HD3 LYS 593 HD3 LYS 593 54.275 -7.716 -6.548 353 HE2 LYS 593 HE2 LYS 593 53.060 -8.004 -4.450 354 HE3 LYS 593 HE3 LYS 593 52.555 -9.621 -4.949 355 HZ1 LYS 593 HZ1 LYS 593 55.405 -8.843 -4.819 356 HZ2 LYS 593 HZ2 LYS 593 54.739 -10.404 -4.872 357 HZ3 LYS 593 HZ3 LYS 593 54.587 -9.461 -3.469 358 H GLU 594 HN GLU 594 54.303 -7.418 -10.809 359 HA GLU 594 HA GLU 594 56.657 -8.514 -9.733 360 HB2 GLU 594 HB2 GLU 594 55.950 -7.702 -12.558 361 HB3 GLU 594 HB3 GLU 594 57.410 -8.589 -12.126 362 HG2 GLU 594 HG2 GLU 594 56.084 -10.443 -11.239 363 HG3 GLU 594 HG3 GLU 594 54.591 -9.546 -11.511 364 H GLU 595 HN GLU 595 56.074 -5.365 -11.398 365 HA GLU 595 HA GLU 595 58.805 -4.633 -11.422 366 HB2 GLU 595 HB2 GLU 595 58.167 -2.432 -12.023 367 HB3 GLU 595 HB3 GLU 595 57.005 -3.502 -12.785 368 HG2 GLU 595 HG2 GLU 595 55.343 -2.961 -11.096 369 HG3 GLU 595 HG3 GLU 595 56.494 -1.994 -10.191 370 H TRP 596 HN TRP 596 56.255 -3.928 -9.078 371 HA TRP 596 HA TRP 596 57.783 -2.331 -7.335 372 HB2 TRP 596 HB2 TRP 596 55.405 -4.123 -6.800 373 HB3 TRP 596 HB3 TRP 596 56.152 -3.123 -5.560 374 HD1 TRP 596 HD1 TRP 596 53.512 -2.990 -8.086 375 HE1 TRP 596 HE1 TRP 596 52.748 -0.565 -8.484 376 HE3 TRP 596 HE3 TRP 596 57.292 -0.486 -5.773 377 HZ2 TRP 596 HZ2 TRP 596 53.611 2.076 -7.896 378 HZ3 TRP 596 HZ3 TRP 596 57.301 1.992 -5.691 379 HH2 TRP 596 HH2 TRP 596 55.459 3.281 -6.754 380 H ASP 597 HN ASP 597 57.367 -5.848 -7.521 381 HA ASP 597 HA ASP 597 58.745 -6.552 -5.152 382 HB2 ASP 597 HB2 ASP 597 57.293 -8.072 -6.512 383 HB3 ASP 597 HB3 ASP 597 58.546 -8.116 -7.744 384 H ARG 598 HN ARG 598 59.822 -6.134 -8.505 385 HA ARG 598 HA ARG 598 62.533 -6.856 -8.121 386 HB2 ARG 598 HB2 ARG 598 61.408 -6.755 -10.329 387 HB3 ARG 598 HB3 ARG 598 61.331 -4.999 -10.195 388 HG2 ARG 598 HG2 ARG 598 63.776 -4.850 -10.158 389 HG3 ARG 598 HG3 ARG 598 63.911 -6.611 -10.159 390 HD2 ARG 598 HD2 ARG 598 64.254 -5.778 -12.435 391 HD3 ARG 598 HD3 ARG 598 62.735 -6.667 -12.366 392 HE ARG 598 HE ARG 598 62.296 -3.886 -11.874 393 HH11 ARG 598 HH11 ARG 598 62.954 -6.155 -14.468 394 HH12 ARG 598 HH12 ARG 598 62.216 -5.161 -15.681 395 HH21 ARG 598 HH21 ARG 598 61.369 -2.623 -13.471 396 HH22 ARG 598 HH22 ARG 598 61.321 -3.168 -15.114 397 H LYS 599 HN LYS 599 60.867 -3.692 -8.022 398 HA LYS 599 HA LYS 599 63.168 -2.089 -7.638 399 HB2 LYS 599 HB2 LYS 599 60.330 -1.637 -6.656 400 HB3 LYS 599 HB3 LYS 599 61.610 -0.432 -6.596 401 HG2 LYS 599 HG2 LYS 599 60.620 -1.720 -9.165 402 HG3 LYS 599 HG3 LYS 599 60.071 -0.161 -8.560 403 HD2 LYS 599 HD2 LYS 599 62.394 0.695 -8.653 404 HD3 LYS 599 HD3 LYS 599 62.937 -0.857 -9.293 405 HE2 LYS 599 HE2 LYS 599 61.457 -0.588 -11.250 406 HE3 LYS 599 HE3 LYS 599 60.889 0.956 -10.615 407 HZ1 LYS 599 HZ1 LYS 599 63.458 1.448 -10.583 408 HZ2 LYS 599 HZ2 LYS 599 62.536 1.673 -11.992 409 HZ3 LYS 599 HZ3 LYS 599 63.477 0.271 -11.803 410 H ALA 600 HN ALA 600 61.006 -3.735 -5.371 411 HA ALA 600 HA ALA 600 62.111 -2.745 -2.981 412 HB1 ALA 600 HB1 ALA 600 60.035 -3.801 -2.745 413 HB2 ALA 600 HB2 ALA 600 61.151 -4.981 -2.060 414 HB3 ALA 600 HB3 ALA 600 60.531 -5.200 -3.696 415 H GLU 601 HN GLU 601 62.966 -5.545 -4.988 416 HA GLU 601 HA GLU 601 64.856 -6.687 -3.206 417 HB2 GLU 601 HB2 GLU 601 64.593 -6.830 -6.212 418 HB3 GLU 601 HB3 GLU 601 65.802 -7.737 -5.304 419 HG2 GLU 601 HG2 GLU 601 64.053 -8.883 -4.036 420 HG3 GLU 601 HG3 GLU 601 62.807 -7.919 -4.828 421 H ASP 602 HN ASP 602 65.205 -4.346 -5.888 422 HA ASP 602 HA ASP 602 68.029 -4.134 -5.732 423 HB2 ASP 602 HB2 ASP 602 65.866 -2.417 -6.896 424 HB3 ASP 602 HB3 ASP 602 67.494 -1.766 -6.754 425 H ALA 603 HN ALA 603 65.401 -2.414 -4.110 426 HA ALA 603 HA ALA 603 66.994 -0.424 -2.882 427 HB1 ALA 603 HB1 ALA 603 64.376 -0.697 -3.088 428 HB2 ALA 603 HB2 ALA 603 65.082 0.169 -1.723 429 HB3 ALA 603 HB3 ALA 603 64.554 -1.503 -1.529 430 H ARG 604 HN ARG 604 65.923 -3.644 -1.816 431 HA ARG 604 HA ARG 604 67.099 -3.544 0.768 432 HB2 ARG 604 HB2 ARG 604 66.306 -5.862 -1.005 433 HB3 ARG 604 HB3 ARG 604 66.976 -6.084 0.610 434 HG2 ARG 604 HG2 ARG 604 65.134 -4.704 1.556 435 HG3 ARG 604 HG3 ARG 604 64.446 -4.531 -0.061 436 HD2 ARG 604 HD2 ARG 604 64.952 -7.240 1.203 437 HD3 ARG 604 HD3 ARG 604 63.432 -6.380 1.414 438 HE ARG 604 HE ARG 604 63.824 -6.470 -1.325 439 HH11 ARG 604 HH11 ARG 604 63.658 -8.870 1.229 440 HH12 ARG 604 HH12 ARG 604 62.985 -10.093 0.206 441 HH21 ARG 604 HH21 ARG 604 62.902 -8.083 -2.618 442 HH22 ARG 604 HH22 ARG 604 62.561 -9.649 -1.961 443 H ARG 605 HN ARG 605 68.265 -4.716 -2.381 444 HA ARG 605 HA ARG 605 70.746 -5.768 -1.485 445 HB2 ARG 605 HB2 ARG 605 69.868 -4.691 -4.177 446 HB3 ARG 605 HB3 ARG 605 71.461 -5.392 -3.898 447 HG2 ARG 605 HG2 ARG 605 70.475 -7.533 -3.273 448 HG3 ARG 605 HG3 ARG 605 68.849 -6.851 -3.359 449 HD2 ARG 605 HD2 ARG 605 69.339 -8.100 -5.425 450 HD3 ARG 605 HD3 ARG 605 69.180 -6.382 -5.775 451 HE ARG 605 HE ARG 605 71.471 -6.296 -6.286 452 HH11 ARG 605 HH11 ARG 605 70.653 -9.442 -4.964 453 HH12 ARG 605 HH12 ARG 605 72.171 -10.147 -5.402 454 HH21 ARG 605 HH21 ARG 605 73.424 -7.247 -6.826 455 HH22 ARG 605 HH22 ARG 605 73.735 -8.908 -6.451 456 H ASP 606 HN ASP 606 69.741 -2.566 -2.605 457 HA ASP 606 HA ASP 606 72.292 -1.361 -2.682 458 HB2 ASP 606 HB2 ASP 606 69.476 -0.359 -2.542 459 HB3 ASP 606 HB3 ASP 606 70.795 0.775 -2.268 460 H TYR 607 HN TYR 607 69.892 -1.663 -0.068 461 HA TYR 607 HA TYR 607 71.171 0.034 1.815 462 HB2 TYR 607 HB2 TYR 607 68.839 -0.745 2.064 463 HB3 TYR 607 HB3 TYR 607 69.409 -2.393 2.295 464 HD1 TYR 607 HD1 TYR 607 69.475 1.046 3.758 465 HD2 TYR 607 HD2 TYR 607 70.166 -3.149 4.448 466 HE1 TYR 607 HE1 TYR 607 69.643 1.470 6.203 467 HE2 TYR 607 HE2 TYR 607 70.342 -2.718 6.889 468 HH TYR 607 HH TYR 607 69.224 -0.526 8.443 469 H GLU 608 HN GLU 608 71.436 -3.416 1.119 470 HA GLU 608 HA GLU 608 73.170 -4.173 3.192 471 HB2 GLU 608 HB2 GLU 608 71.926 -5.723 1.699 472 HB3 GLU 608 HB3 GLU 608 72.983 -5.260 0.367 473 HG2 GLU 608 HG2 GLU 608 74.933 -6.151 1.565 474 HG3 GLU 608 HG3 GLU 608 73.925 -6.546 2.957 475 H LYS 609 HN LYS 609 73.793 -2.909 -0.068 476 HA LYS 609 HA LYS 609 76.616 -3.103 -0.010 477 HB2 LYS 609 HB2 LYS 609 74.785 -1.236 -1.541 478 HB3 LYS 609 HB3 LYS 609 76.527 -1.334 -1.799 479 HG2 LYS 609 HG2 LYS 609 76.320 -3.728 -2.377 480 HG3 LYS 609 HG3 LYS 609 74.576 -3.644 -2.113 481 HD2 LYS 609 HD2 LYS 609 74.382 -1.941 -3.909 482 HD3 LYS 609 HD3 LYS 609 76.124 -2.042 -4.184 483 HE2 LYS 609 HE2 LYS 609 75.904 -4.437 -4.747 484 HE3 LYS 609 HE3 LYS 609 74.166 -4.345 -4.472 485 HZ1 LYS 609 HZ1 LYS 609 75.407 -2.484 -6.379 486 HZ2 LYS 609 HZ2 LYS 609 73.832 -3.121 -6.361 487 HZ3 LYS 609 HZ3 LYS 609 75.136 -4.090 -6.855 488 H ALA 610 HN ALA 610 74.386 -0.479 0.888 489 HA ALA 610 HA ALA 610 76.356 1.460 1.511 490 HB1 ALA 610 HB1 ALA 610 74.607 2.685 2.565 491 HB2 ALA 610 HB2 ALA 610 73.664 1.223 2.853 492 HB3 ALA 610 HB3 ALA 610 73.855 1.838 1.212 493 H MET 611 HN MET 611 74.813 -1.081 3.396 494 HA MET 611 HA MET 611 75.771 -0.355 5.946 495 HB2 MET 611 HB2 MET 611 74.904 -2.951 4.688 496 HB3 MET 611 HB3 MET 611 75.520 -2.912 6.339 497 HG2 MET 611 HG2 MET 611 73.187 -1.228 5.344 498 HG3 MET 611 HG3 MET 611 73.022 -2.750 6.219 499 HE1 MET 611 HE1 MET 611 73.784 0.840 6.110 500 HE2 MET 611 HE2 MET 611 73.798 1.403 7.779 501 HE3 MET 611 HE3 MET 611 72.304 0.782 7.077 502 H LYS 612 HN LYS 612 77.146 -2.332 3.329 503 HA LYS 612 HA LYS 612 79.411 -3.284 4.734 504 HB2 LYS 612 HB2 LYS 612 78.948 -2.862 1.772 505 HB3 LYS 612 HB3 LYS 612 80.382 -3.641 2.438 506 HG2 LYS 612 HG2 LYS 612 78.958 -5.359 3.514 507 HG3 LYS 612 HG3 LYS 612 77.522 -4.587 2.841 508 HD2 LYS 612 HD2 LYS 612 78.364 -4.981 0.550 509 HD3 LYS 612 HD3 LYS 612 79.813 -5.744 1.212 510 HE2 LYS 612 HE2 LYS 612 78.420 -7.473 2.293 511 HE3 LYS 612 HE3 LYS 612 76.968 -6.715 1.643 512 HZ1 LYS 612 HZ1 LYS 612 79.093 -8.174 0.213 513 HZ2 LYS 612 HZ2 LYS 612 78.151 -7.025 -0.610 514 HZ3 LYS 612 HZ3 LYS 612 77.411 -8.369 0.118 515 H GLU 613 HN GLU 613 78.858 -0.332 2.818 516 HA GLU 613 HA GLU 613 81.543 0.571 2.734 517 HB2 GLU 613 HB2 GLU 613 79.712 1.493 1.323 518 HB3 GLU 613 HB3 GLU 613 79.015 2.245 2.757 519 HG2 GLU 613 HG2 GLU 613 81.052 3.599 3.074 520 HG3 GLU 613 HG3 GLU 613 81.813 2.811 1.695 521 H TYR 614 HN TYR 614 78.926 1.114 5.081 522 HA TYR 614 HA TYR 614 80.277 2.956 6.742 523 HB2 TYR 614 HB2 TYR 614 78.122 0.923 7.355 524 HB3 TYR 614 HB3 TYR 614 78.752 2.038 8.561 525 HD1 TYR 614 HD1 TYR 614 76.380 1.598 5.918 526 HD2 TYR 614 HD2 TYR 614 78.677 4.588 7.989 527 HE1 TYR 614 HE1 TYR 614 74.794 3.342 5.148 528 HE2 TYR 614 HE2 TYR 614 77.088 6.337 7.212 529 HH TYR 614 HH TYR 614 75.153 6.107 4.776 530 H GLU 615 HN GLU 615 80.130 -0.596 6.749 531 HA GLU 615 HA GLU 615 81.580 -1.096 9.103 532 HB2 GLU 615 HB2 GLU 615 81.372 -2.700 6.543 533 HB3 GLU 615 HB3 GLU 615 82.146 -3.295 8.010 534 HG2 GLU 615 HG2 GLU 615 80.038 -3.045 9.257 535 HG3 GLU 615 HG3 GLU 615 79.253 -2.384 7.824 536 H GLY 616 HN GLY 616 82.653 -0.509 5.781 537 HA2 GLY 616 HA2 GLY 616 85.407 -1.088 6.227 538 HA3 GLY 616 HA3 GLY 616 84.743 -0.202 4.857 539 H GLY 617 HN GLY 617 87.150 0.338 6.397 540 HA2 GLY 617 HA2 GLY 617 87.411 2.993 6.415 541 HA3 GLY 617 HA3 GLY 617 86.577 2.738 7.945
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