NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651661 | 7ju9 | 30789 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 8.211 3.061 8.693 2 H2 GLY 1 HT2 GLY 1 9.028 3.519 10.112 3 H3 GLY 1 HT3 GLY 1 9.548 2.164 9.228 4 HA2 GLY 1 HA2 GLY 1 9.464 4.762 7.873 5 HA3 GLY 1 HA1 GLY 1 10.778 4.442 9.008 6 H ARG 2 HN ARG 2 12.385 3.011 8.461 7 HA ARG 2 HA ARG 2 12.768 2.437 5.703 8 HB2 ARG 2 HB2 ARG 2 14.217 1.414 8.155 9 HB3 ARG 2 HB1 ARG 2 14.756 1.165 6.494 10 HG2 ARG 2 HG2 ARG 2 14.260 3.894 7.716 11 HG3 ARG 2 HG1 ARG 2 15.847 3.131 7.620 12 HD2 ARG 2 HD2 ARG 2 15.689 3.034 5.184 13 HD3 ARG 2 HD1 ARG 2 14.062 3.704 5.238 14 HE ARG 2 HE ARG 2 16.561 5.161 5.760 15 HH11 ARG 2 HH11 ARG 2 13.100 5.072 5.577 16 HH12 ARG 2 HH12 ARG 2 12.926 6.793 5.504 17 HH21 ARG 2 HH21 ARG 2 16.332 7.416 5.662 18 HH22 ARG 2 HH22 ARG 2 14.752 8.118 5.552 19 H ILE 3 HN ILE 3 12.782 0.451 4.626 20 HA ILE 3 HA ILE 3 12.158 -1.714 4.150 21 HB ILE 3 HB ILE 3 11.653 -1.977 7.124 22 HG12 ILE 3 HG12 ILE 3 13.982 -1.311 6.622 23 HG13 ILE 3 HG11 ILE 3 13.910 -2.983 7.181 24 HG21 ILE 3 HG21 ILE 3 11.875 -4.379 6.674 25 HG22 ILE 3 HG22 ILE 3 12.142 -4.049 4.962 26 HG23 ILE 3 HG23 ILE 3 10.576 -3.698 5.694 27 HD11 ILE 3 HD11 ILE 3 14.805 -1.937 4.616 28 HD12 ILE 3 HD12 ILE 3 13.550 -3.160 4.413 29 HD13 ILE 3 HD13 ILE 3 15.022 -3.547 5.302 30 H ASP 4 HN ASP 4 10.203 0.572 5.739 31 HA ASP 4 HA ASP 4 7.723 -0.776 5.833 32 HB2 ASP 4 HB2 ASP 4 8.125 1.362 6.979 33 HB3 ASP 4 HB1 ASP 4 8.284 2.169 5.420 34 H DBU 5 HN DHB 5 9.312 1.117 3.280 35 HB DBU 5 HB DHB 5 7.036 1.348 -0.095 36 HG1 DBU 5 HG1 DHB 5 5.207 2.287 1.158 37 HG2 DBU 5 HG2 DHB 5 6.009 1.966 2.696 38 HG3 DBU 5 HG3 DHB 5 6.522 3.329 1.699 39 H CYS 6 HN CYS 6 10.365 -0.243 2.367 40 HA CYS 6 HA CYS 6 10.841 -1.673 -0.178 41 HB2 CYS 6 HB2 CYS 6 12.287 0.386 0.177 42 HB3 CYS 6 HB1 CYS 6 13.012 -0.466 1.539 43 HA PRO 7 HA PRO 7 10.901 -4.486 3.604 44 HB2 PRO 7 HB2 PRO 7 9.292 -6.181 1.787 45 HB3 PRO 7 HB1 PRO 7 8.990 -5.739 3.476 46 HG2 PRO 7 HG2 PRO 7 7.556 -4.726 1.450 47 HG3 PRO 7 HG1 PRO 7 7.917 -3.801 2.918 48 HD2 PRO 7 HD2 PRO 7 9.141 -3.566 0.195 49 HD3 PRO 7 HD1 PRO 7 8.813 -2.300 1.400 50 H ALA 8 HN ALA 8 12.303 -6.211 3.815 51 HA ALA 8 HA ALA 8 14.144 -7.479 3.245 52 HB1 ALA 8 HB1 ALA 8 13.682 -9.222 1.649 53 HB2 ALA 8 HB2 ALA 8 12.397 -8.270 0.905 54 HB3 ALA 8 HB3 ALA 8 12.194 -8.902 2.540 55 H GLY 9 HN GLY 9 13.630 -4.751 1.815 56 HA2 GLY 9 HA2 GLY 9 15.616 -5.159 -0.344 57 HA3 GLY 9 HA1 GLY 9 14.347 -3.939 -0.408 58 H GLY 10 HN GLY 10 17.513 -4.702 0.685 59 HA2 GLY 10 HA2 GLY 10 17.875 -2.725 2.675 60 HA3 GLY 10 HA1 GLY 10 19.156 -3.453 1.708 61 H GLY 11 HN GLY 11 18.103 -2.669 -0.838 62 HA2 GLY 11 HA2 GLY 11 18.945 0.139 -0.824 63 HA3 GLY 11 HA1 GLY 11 18.853 -0.913 -2.233 64 H DBB 12 HN DBB 12 16.621 0.269 0.290 65 HA DBB 12 HA DBB 12 14.455 1.017 0.174 66 HB2 DBB 12 HB2 DBB 12 14.625 -0.466 -2.449 67 HG1 DBB 12 HG1 DBB 12 12.053 -0.059 -2.383 68 HG2 DBB 12 HG2 DBB 12 13.103 1.206 -3.023 69 HG3 DBB 12 HG3 DBB 12 12.469 1.333 -1.385 70 H DAL 13 HN DAL 13 16.409 1.611 -2.726 71 HA DAL 13 HA DAL 13 16.789 3.515 -3.925 72 HB1 DAL 13 HB2 DAL 13 15.893 4.529 -1.301 73 HB2 DAL 13 HB3 DAL 13 17.315 4.947 -2.253 74 H GLU 14 HN GLU 14 15.625 4.045 -5.799 75 HA GLU 14 HA GLU 14 13.002 5.150 -5.682 76 HB2 GLU 14 HB2 GLU 14 14.637 5.658 -7.482 77 HB3 GLU 14 HB1 GLU 14 14.495 3.996 -8.053 78 HG2 GLU 14 HG2 GLU 14 13.024 5.369 -9.391 79 HG3 GLU 14 HG1 GLU 14 12.024 4.378 -8.334 80 H GLN 15 HN GLN 15 14.071 2.046 -5.246 81 HA GLN 15 HA GLN 15 12.187 0.511 -6.706 82 HB2 GLN 15 HB2 GLN 15 13.749 -0.083 -4.185 83 HB3 GLN 15 HB1 GLN 15 12.753 -1.275 -5.018 84 HG2 GLN 15 HG2 GLN 15 15.041 0.262 -6.279 85 HG3 GLN 15 HG1 GLN 15 15.139 -1.402 -5.705 86 HE21 GLN 15 HE21 GLN 15 14.891 0.217 -8.527 87 HE22 GLN 15 HE22 GLN 15 13.919 -0.855 -9.415 88 H DBB 16 HN DBB 16 11.982 2.298 -3.728 89 HA DBB 16 HA DBB 16 9.606 0.965 -2.771 90 HB2 DBB 16 HB2 DBB 16 7.961 2.452 -3.388 91 HG1 DBB 16 HG1 DBB 16 10.068 2.684 -5.540 92 HG2 DBB 16 HG2 DBB 16 8.405 3.226 -5.743 93 HG3 DBB 16 HG3 DBB 16 8.748 1.519 -5.455 94 H GLY 17 HN GLY 17 8.625 2.229 -0.920 95 HA2 GLY 17 HA2 GLY 17 8.981 4.033 0.718 96 HA3 GLY 17 HA1 GLY 17 9.676 2.533 1.319 97 H DBU 18 HN DHB 18 11.774 2.533 1.870 98 HB DBU 18 HB DHB 18 15.398 3.664 2.048 99 HG1 DBU 18 HG1 DHB 18 15.285 1.175 1.936 100 HG2 DBU 18 HG2 DHB 18 14.636 1.649 3.506 101 HG3 DBU 18 HG3 DHB 18 13.540 1.225 2.191 102 H CYS 19 HN CYS 19 13.706 4.697 -0.783 103 HA CYS 19 HA CYS 19 13.611 7.530 0.051 104 HB2 CYS 19 HB2 CYS 19 15.470 8.047 -1.278 105 HB3 CYS 19 HB1 CYS 19 15.921 6.515 -0.545 106 H CYS 20 HN CYS 20 12.641 5.073 -2.175 107 HA CYS 20 HA CYS 20 11.937 6.454 -4.452 108 HB2 CYS 20 HB2 CYS 20 10.849 4.554 -5.011 109 HB3 CYS 20 HB1 CYS 20 11.490 3.922 -3.495 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 8.144 4.040 6.276 2 H2 GLY 1 HT2 GLY 1 8.441 4.656 7.832 3 H3 GLY 1 HT3 GLY 1 6.886 4.116 7.411 4 HA2 GLY 1 HA2 GLY 1 8.510 2.623 8.809 5 HA3 GLY 1 HA1 GLY 1 7.405 1.928 7.623 6 H ARG 2 HN ARG 2 9.859 3.890 6.299 7 HA ARG 2 HA ARG 2 11.435 3.290 4.692 8 HB2 ARG 2 HB2 ARG 2 12.333 1.900 7.222 9 HB3 ARG 2 HB1 ARG 2 13.347 2.064 5.789 10 HG2 ARG 2 HG2 ARG 2 13.157 4.507 5.905 11 HG3 ARG 2 HG1 ARG 2 12.092 4.372 7.304 12 HD2 ARG 2 HD2 ARG 2 13.889 3.283 8.582 13 HD3 ARG 2 HD1 ARG 2 14.955 3.381 7.183 14 HE ARG 2 HE ARG 2 15.184 5.694 7.562 15 HH11 ARG 2 HH11 ARG 2 12.870 4.207 9.661 16 HH12 ARG 2 HH12 ARG 2 12.771 5.560 10.738 17 HH21 ARG 2 HH21 ARG 2 15.060 7.473 8.970 18 HH22 ARG 2 HH22 ARG 2 14.011 7.409 10.347 19 H ILE 3 HN ILE 3 11.804 0.268 6.432 20 HA ILE 3 HA ILE 3 11.847 -1.338 4.145 21 HB ILE 3 HB ILE 3 11.149 -2.074 6.997 22 HG12 ILE 3 HG12 ILE 3 13.749 -2.419 5.481 23 HG13 ILE 3 HG11 ILE 3 13.414 -1.021 6.503 24 HG21 ILE 3 HG21 ILE 3 10.360 -3.819 5.518 25 HG22 ILE 3 HG22 ILE 3 11.872 -4.368 6.241 26 HG23 ILE 3 HG23 ILE 3 11.854 -3.767 4.583 27 HD11 ILE 3 HD11 ILE 3 12.763 -3.483 7.890 28 HD12 ILE 3 HD12 ILE 3 13.865 -2.194 8.372 29 HD13 ILE 3 HD13 ILE 3 14.437 -3.502 7.336 30 H ASP 4 HN ASP 4 9.238 0.267 5.497 31 HA ASP 4 HA ASP 4 7.145 -1.614 5.115 32 HB2 ASP 4 HB2 ASP 4 5.666 0.377 5.166 33 HB3 ASP 4 HB1 ASP 4 6.823 0.366 6.496 34 H DBU 5 HN DHB 5 8.672 0.788 3.008 35 HB DBU 5 HB DHB 5 7.006 1.158 -0.648 36 HG1 DBU 5 HG1 DHB 5 5.401 2.602 0.274 37 HG2 DBU 5 HG2 DHB 5 5.259 1.505 1.648 38 HG3 DBU 5 HG3 DHB 5 6.441 2.814 1.682 39 H CYS 6 HN CYS 6 10.169 -0.271 1.929 40 HA CYS 6 HA CYS 6 10.726 -1.902 -0.478 41 HB2 CYS 6 HB2 CYS 6 12.069 0.245 -0.200 42 HB3 CYS 6 HB1 CYS 6 12.808 -0.513 1.210 43 HA PRO 7 HA PRO 7 10.639 -4.601 3.350 44 HB2 PRO 7 HB2 PRO 7 9.728 -6.487 1.234 45 HB3 PRO 7 HB1 PRO 7 9.071 -6.207 2.857 46 HG2 PRO 7 HG2 PRO 7 7.815 -5.318 0.694 47 HG3 PRO 7 HG1 PRO 7 7.847 -4.378 2.195 48 HD2 PRO 7 HD2 PRO 7 9.402 -3.945 -0.329 49 HD3 PRO 7 HD1 PRO 7 8.722 -2.749 0.795 50 H ALA 8 HN ALA 8 12.361 -5.818 3.951 51 HA ALA 8 HA ALA 8 14.564 -6.559 3.746 52 HB1 ALA 8 HB1 ALA 8 13.993 -8.545 1.745 53 HB2 ALA 8 HB2 ALA 8 12.630 -8.415 2.857 54 HB3 ALA 8 HB3 ALA 8 14.245 -8.759 3.477 55 H GLY 9 HN GLY 9 13.824 -4.413 1.826 56 HA2 GLY 9 HA2 GLY 9 15.658 -5.112 -0.390 57 HA3 GLY 9 HA1 GLY 9 14.345 -3.947 -0.525 58 H GLY 10 HN GLY 10 17.130 -4.513 1.643 59 HA2 GLY 10 HA2 GLY 10 17.699 -2.221 2.792 60 HA3 GLY 10 HA1 GLY 10 18.978 -3.065 1.923 61 H GLY 11 HN GLY 11 18.118 -2.691 -0.705 62 HA2 GLY 11 HA2 GLY 11 18.871 0.087 -1.108 63 HA3 GLY 11 HA1 GLY 11 18.695 -1.142 -2.357 64 H DBB 12 HN DBB 12 16.482 0.180 0.113 65 HA DBB 12 HA DBB 12 14.302 0.898 -0.050 66 HB2 DBB 12 HB2 DBB 12 14.555 -0.564 -2.683 67 HG1 DBB 12 HG1 DBB 12 12.379 1.238 -1.666 68 HG2 DBB 12 HG2 DBB 12 11.961 -0.176 -2.634 69 HG3 DBB 12 HG3 DBB 12 13.015 1.070 -3.303 70 H DAL 13 HN DAL 13 16.394 1.511 -2.825 71 HA DAL 13 HA DAL 13 16.729 3.383 -4.114 72 HB1 DAL 13 HB2 DAL 13 16.202 4.314 -1.406 73 HB2 DAL 13 HB3 DAL 13 17.377 4.898 -2.585 74 H GLU 14 HN GLU 14 15.547 4.784 -5.578 75 HA GLU 14 HA GLU 14 12.906 5.575 -5.406 76 HB2 GLU 14 HB2 GLU 14 12.923 5.711 -7.847 77 HB3 GLU 14 HB1 GLU 14 14.463 6.279 -7.198 78 HG2 GLU 14 HG2 GLU 14 15.484 4.095 -7.653 79 HG3 GLU 14 HG1 GLU 14 13.944 3.484 -8.254 80 H GLN 15 HN GLN 15 14.078 2.417 -5.508 81 HA GLN 15 HA GLN 15 12.134 1.055 -7.009 82 HB2 GLN 15 HB2 GLN 15 14.349 0.295 -5.646 83 HB3 GLN 15 HB1 GLN 15 13.092 -0.272 -4.545 84 HG2 GLN 15 HG2 GLN 15 13.599 -2.043 -6.134 85 HG3 GLN 15 HG1 GLN 15 11.984 -1.418 -6.469 86 HE21 GLN 15 HE21 GLN 15 11.716 -1.364 -8.704 87 HE22 GLN 15 HE22 GLN 15 12.881 -0.811 -9.808 88 H DBB 16 HN DBB 16 12.028 2.459 -3.821 89 HA DBB 16 HA DBB 16 9.630 1.070 -3.007 90 HB2 DBB 16 HB2 DBB 16 8.344 3.325 -2.917 91 HG1 DBB 16 HG1 DBB 16 8.621 2.510 -5.747 92 HG2 DBB 16 HG2 DBB 16 7.189 2.558 -4.719 93 HG3 DBB 16 HG3 DBB 16 8.307 1.198 -4.612 94 H GLY 17 HN GLY 17 8.971 1.624 -0.872 95 HA2 GLY 17 HA2 GLY 17 9.560 3.531 0.859 96 HA3 GLY 17 HA1 GLY 17 9.758 1.847 1.336 97 H DBU 18 HN DHB 18 11.270 4.196 2.239 98 HB DBU 18 HB DHB 18 15.283 3.575 2.663 99 HG1 DBU 18 HG1 DHB 18 14.629 1.097 2.541 100 HG2 DBU 18 HG2 DHB 18 14.294 1.768 4.137 101 HG3 DBU 18 HG3 DHB 18 12.983 1.559 2.977 102 H CYS 19 HN CYS 19 13.372 4.776 -0.440 103 HA CYS 19 HA CYS 19 13.894 7.591 0.257 104 HB2 CYS 19 HB2 CYS 19 15.757 7.779 -1.113 105 HB3 CYS 19 HB1 CYS 19 15.984 6.161 -0.450 106 H CYS 20 HN CYS 20 12.071 5.366 -1.444 107 HA CYS 20 HA CYS 20 11.541 6.346 -3.928 108 HB2 CYS 20 HB2 CYS 20 10.150 4.748 -2.024 109 HB3 CYS 20 HB1 CYS 20 9.005 5.912 -2.691 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 7.363 1.989 8.394 2 H2 GLY 1 HT2 GLY 1 7.293 2.308 10.062 3 H3 GLY 1 HT3 GLY 1 7.285 0.705 9.499 4 HA2 GLY 1 HA2 GLY 1 9.499 2.456 10.005 5 HA3 GLY 1 HA1 GLY 1 9.470 0.699 9.846 6 H ARG 2 HN ARG 2 11.545 2.132 8.736 7 HA ARG 2 HA ARG 2 11.182 2.910 6.045 8 HB2 ARG 2 HB2 ARG 2 13.619 1.885 7.515 9 HB3 ARG 2 HB1 ARG 2 13.661 2.527 5.873 10 HG2 ARG 2 HG2 ARG 2 12.593 4.050 8.266 11 HG3 ARG 2 HG1 ARG 2 14.223 4.238 7.620 12 HD2 ARG 2 HD2 ARG 2 13.258 4.869 5.423 13 HD3 ARG 2 HD1 ARG 2 11.643 4.736 6.109 14 HE ARG 2 HE ARG 2 13.623 6.823 6.713 15 HH11 ARG 2 HH11 ARG 2 10.521 5.366 7.236 16 HH12 ARG 2 HH12 ARG 2 9.843 6.765 7.998 17 HH21 ARG 2 HH21 ARG 2 12.733 8.657 7.704 18 HH22 ARG 2 HH22 ARG 2 11.094 8.627 8.263 19 H ILE 3 HN ILE 3 11.951 -0.196 7.547 20 HA ILE 3 HA ILE 3 12.452 -1.612 5.133 21 HB ILE 3 HB ILE 3 11.447 -2.718 7.765 22 HG12 ILE 3 HG12 ILE 3 13.457 -1.307 8.073 23 HG13 ILE 3 HG11 ILE 3 13.838 -3.013 8.309 24 HG21 ILE 3 HG21 ILE 3 11.329 -4.361 6.007 25 HG22 ILE 3 HG22 ILE 3 12.771 -4.719 6.956 26 HG23 ILE 3 HG23 ILE 3 12.919 -3.905 5.399 27 HD11 ILE 3 HD11 ILE 3 15.420 -2.838 6.721 28 HD12 ILE 3 HD12 ILE 3 14.946 -1.173 6.389 29 HD13 ILE 3 HD13 ILE 3 14.153 -2.500 5.542 30 H ASP 4 HN ASP 4 9.553 -0.681 6.819 31 HA ASP 4 HA ASP 4 7.763 -2.576 5.727 32 HB2 ASP 4 HB2 ASP 4 7.278 -1.038 7.650 33 HB3 ASP 4 HB1 ASP 4 7.132 0.282 6.490 34 H DBU 5 HN DHB 5 8.884 0.586 4.569 35 HB DBU 5 HB DHB 5 7.470 2.048 1.172 36 HG1 DBU 5 HG1 DHB 5 7.402 3.151 3.843 37 HG2 DBU 5 HG2 DHB 5 6.224 3.461 2.569 38 HG3 DBU 5 HG3 DHB 5 5.978 2.122 3.691 39 H CYS 6 HN CYS 6 10.665 0.427 2.372 40 HA CYS 6 HA CYS 6 10.764 -0.792 -0.210 41 HB2 CYS 6 HB2 CYS 6 12.595 0.606 0.747 42 HB3 CYS 6 HB1 CYS 6 12.919 -0.675 1.913 43 HA PRO 7 HA PRO 7 10.028 -4.964 1.060 44 HB2 PRO 7 HB2 PRO 7 10.937 -6.221 -1.195 45 HB3 PRO 7 HB1 PRO 7 9.382 -5.372 -1.110 46 HG2 PRO 7 HG2 PRO 7 11.964 -4.481 -2.280 47 HG3 PRO 7 HG1 PRO 7 10.310 -4.211 -2.852 48 HD2 PRO 7 HD2 PRO 7 11.777 -2.307 -1.513 49 HD3 PRO 7 HD1 PRO 7 10.000 -2.367 -1.501 50 H ALA 8 HN ALA 8 12.196 -4.070 2.394 51 HA ALA 8 HA ALA 8 14.294 -4.589 3.215 52 HB1 ALA 8 HB1 ALA 8 13.438 -6.439 4.271 53 HB2 ALA 8 HB2 ALA 8 14.557 -7.247 3.173 54 HB3 ALA 8 HB3 ALA 8 12.842 -7.152 2.773 55 H GLY 9 HN GLY 9 14.269 -3.892 0.445 56 HA2 GLY 9 HA2 GLY 9 16.187 -5.733 -0.805 57 HA3 GLY 9 HA1 GLY 9 15.354 -4.402 -1.603 58 H GLY 10 HN GLY 10 16.515 -3.491 1.429 59 HA2 GLY 10 HA2 GLY 10 18.372 -2.307 2.146 60 HA3 GLY 10 HA1 GLY 10 19.214 -2.829 0.690 61 H GLY 11 HN GLY 11 19.129 -1.559 -1.180 62 HA2 GLY 11 HA2 GLY 11 19.303 1.091 -1.173 63 HA3 GLY 11 HA1 GLY 11 18.475 0.278 -2.502 64 H DBB 12 HN DBB 12 16.131 -0.333 -1.958 65 HA DBB 12 HA DBB 12 14.691 1.160 -0.036 66 HB2 DBB 12 HB2 DBB 12 13.928 -0.416 -2.478 67 HG1 DBB 12 HG1 DBB 12 11.521 0.082 -1.683 68 HG2 DBB 12 HG2 DBB 12 12.358 1.325 -2.617 69 HG3 DBB 12 HG3 DBB 12 12.231 1.476 -0.866 70 H DAL 13 HN DAL 13 16.073 2.032 -3.024 71 HA DAL 13 HA DAL 13 16.204 4.222 -3.865 72 HB1 DAL 13 HB2 DAL 13 14.776 5.927 -3.064 73 HB2 DAL 13 HB3 DAL 13 13.628 4.756 -2.428 74 H GLU 14 HN GLU 14 15.573 2.518 -5.685 75 HA GLU 14 HA GLU 14 13.557 3.743 -7.286 76 HB2 GLU 14 HB2 GLU 14 15.136 1.187 -7.622 77 HB3 GLU 14 HB1 GLU 14 14.024 1.818 -8.838 78 HG2 GLU 14 HG2 GLU 14 15.305 3.893 -8.985 79 HG3 GLU 14 HG1 GLU 14 16.384 3.346 -7.703 80 H GLN 15 HN GLN 15 13.590 1.091 -5.054 81 HA GLN 15 HA GLN 15 11.174 -0.141 -6.015 82 HB2 GLN 15 HB2 GLN 15 13.222 -0.740 -4.118 83 HB3 GLN 15 HB1 GLN 15 11.659 -0.842 -3.304 84 HG2 GLN 15 HG2 GLN 15 12.301 -2.179 -5.948 85 HG3 GLN 15 HG1 GLN 15 12.349 -2.993 -4.385 86 HE21 GLN 15 HE21 GLN 15 10.397 -2.780 -6.991 87 HE22 GLN 15 HE22 GLN 15 8.876 -2.888 -6.247 88 H DBB 16 HN DBB 16 11.798 2.661 -4.222 89 HA DBB 16 HA DBB 16 8.973 2.762 -3.389 90 HB2 DBB 16 HB2 DBB 16 9.134 5.131 -3.475 91 HG1 DBB 16 HG1 DBB 16 10.638 3.723 -5.670 92 HG2 DBB 16 HG2 DBB 16 10.361 5.463 -5.735 93 HG3 DBB 16 HG3 DBB 16 8.991 4.354 -5.685 94 H GLY 17 HN GLY 17 8.423 2.675 -1.314 95 HA2 GLY 17 HA2 GLY 17 8.674 3.393 0.972 96 HA3 GLY 17 HA1 GLY 17 9.496 1.842 0.850 97 H DBU 18 HN DHB 18 11.325 1.924 2.008 98 HB DBU 18 HB DHB 18 14.777 3.113 3.072 99 HG1 DBU 18 HG1 DHB 18 14.451 0.910 3.993 100 HG2 DBU 18 HG2 DHB 18 12.909 0.717 3.159 101 HG3 DBU 18 HG3 DHB 18 14.422 0.570 2.263 102 H CYS 19 HN CYS 19 14.177 4.354 0.413 103 HA CYS 19 HA CYS 19 14.479 6.971 1.478 104 HB2 CYS 19 HB2 CYS 19 14.728 7.099 -1.351 105 HB3 CYS 19 HB1 CYS 19 16.019 7.045 -0.161 106 H CYS 20 HN CYS 20 12.249 5.578 -0.906 107 HA CYS 20 HA CYS 20 10.740 8.120 -0.872 108 HB2 CYS 20 HB2 CYS 20 9.662 6.950 -2.977 109 HB3 CYS 20 HB1 CYS 20 11.206 7.792 -3.112 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 8.773 4.658 8.746 2 H2 GLY 1 HT2 GLY 1 7.434 3.804 9.349 3 H3 GLY 1 HT3 GLY 1 7.529 4.180 7.696 4 HA2 GLY 1 HA2 GLY 1 9.610 2.529 8.974 5 HA3 GLY 1 HA1 GLY 1 8.095 1.805 8.430 6 H ARG 2 HN ARG 2 11.139 3.098 7.480 7 HA ARG 2 HA ARG 2 10.657 3.572 4.733 8 HB2 ARG 2 HB2 ARG 2 13.157 2.829 6.259 9 HB3 ARG 2 HB1 ARG 2 13.158 3.191 4.532 10 HG2 ARG 2 HG2 ARG 2 12.205 5.410 4.976 11 HG3 ARG 2 HG1 ARG 2 12.150 5.054 6.704 12 HD2 ARG 2 HD2 ARG 2 14.603 4.787 6.727 13 HD3 ARG 2 HD1 ARG 2 14.659 5.148 5.004 14 HE ARG 2 HE ARG 2 14.145 7.053 7.168 15 HH11 ARG 2 HH11 ARG 2 14.252 6.318 3.788 16 HH12 ARG 2 HH12 ARG 2 14.335 7.976 3.290 17 HH21 ARG 2 HH21 ARG 2 14.253 9.228 6.522 18 HH22 ARG 2 HH22 ARG 2 14.336 9.623 4.838 19 H ILE 3 HN ILE 3 11.574 0.680 6.541 20 HA ILE 3 HA ILE 3 12.039 -0.996 4.289 21 HB ILE 3 HB ILE 3 11.264 -1.646 7.143 22 HG12 ILE 3 HG12 ILE 3 13.950 -1.875 5.764 23 HG13 ILE 3 HG11 ILE 3 13.457 -0.427 6.642 24 HG21 ILE 3 HG21 ILE 3 10.689 -3.540 5.771 25 HG22 ILE 3 HG22 ILE 3 12.238 -3.906 6.531 26 HG23 ILE 3 HG23 ILE 3 12.182 -3.393 4.845 27 HD11 ILE 3 HD11 ILE 3 14.787 -2.019 8.044 28 HD12 ILE 3 HD12 ILE 3 13.504 -3.211 7.837 29 HD13 ILE 3 HD13 ILE 3 13.177 -1.703 8.690 30 H ASP 4 HN ASP 4 9.178 0.091 5.928 31 HA ASP 4 HA ASP 4 7.383 -1.951 5.158 32 HB2 ASP 4 HB2 ASP 4 6.837 -0.267 6.864 33 HB3 ASP 4 HB1 ASP 4 6.842 0.991 5.627 34 H DBU 5 HN DHB 5 8.377 1.070 3.558 35 HB DBU 5 HB DHB 5 6.954 2.045 0.016 36 HG1 DBU 5 HG1 DHB 5 7.146 3.760 2.204 37 HG2 DBU 5 HG2 DHB 5 5.662 3.585 1.267 38 HG3 DBU 5 HG3 DHB 5 5.883 2.659 2.751 39 H CYS 6 HN CYS 6 9.979 -0.107 1.735 40 HA CYS 6 HA CYS 6 9.481 -2.112 -0.373 41 HB2 CYS 6 HB2 CYS 6 11.601 -1.657 -1.401 42 HB3 CYS 6 HB1 CYS 6 10.766 -0.116 -1.234 43 HA PRO 7 HA PRO 7 11.067 -4.072 3.507 44 HB2 PRO 7 HB2 PRO 7 9.503 -6.329 2.399 45 HB3 PRO 7 HB1 PRO 7 9.454 -5.612 4.019 46 HG2 PRO 7 HG2 PRO 7 7.483 -5.259 2.236 47 HG3 PRO 7 HG1 PRO 7 7.935 -4.016 3.415 48 HD2 PRO 7 HD2 PRO 7 8.533 -4.139 0.485 49 HD3 PRO 7 HD1 PRO 7 8.208 -2.726 1.515 50 H ALA 8 HN ALA 8 12.793 -5.452 3.682 51 HA ALA 8 HA ALA 8 14.684 -6.559 2.971 52 HB1 ALA 8 HB1 ALA 8 13.270 -8.110 0.912 53 HB2 ALA 8 HB2 ALA 8 12.500 -8.146 2.498 54 HB3 ALA 8 HB3 ALA 8 14.177 -8.664 2.321 55 H GLY 9 HN GLY 9 13.508 -4.203 1.292 56 HA2 GLY 9 HA2 GLY 9 14.488 -4.698 -1.372 57 HA3 GLY 9 HA1 GLY 9 13.946 -3.150 -0.729 58 H GLY 10 HN GLY 10 15.929 -3.877 1.598 59 HA2 GLY 10 HA2 GLY 10 18.084 -3.317 2.181 60 HA3 GLY 10 HA1 GLY 10 18.547 -3.792 0.553 61 H GLY 11 HN GLY 11 18.369 -2.213 -1.162 62 HA2 GLY 11 HA2 GLY 11 19.411 0.313 -0.489 63 HA3 GLY 11 HA1 GLY 11 18.730 -0.124 -2.058 64 H DBB 12 HN DBB 12 16.143 -0.783 -1.200 65 HA DBB 12 HA DBB 12 14.803 1.053 0.379 66 HB2 DBB 12 HB2 DBB 12 14.118 -1.014 -1.440 67 HG1 DBB 12 HG1 DBB 12 12.555 1.518 -1.994 68 HG2 DBB 12 HG2 DBB 12 12.254 -0.078 -2.678 69 HG3 DBB 12 HG3 DBB 12 13.724 0.802 -3.101 70 H DAL 13 HN DAL 13 16.076 1.296 -2.845 71 HA DAL 13 HA DAL 13 16.489 3.100 -4.180 72 HB1 DAL 13 HB2 DAL 13 16.059 4.282 -1.522 73 HB2 DAL 13 HB3 DAL 13 17.333 4.574 -2.700 74 H GLU 14 HN GLU 14 15.259 4.883 -5.404 75 HA GLU 14 HA GLU 14 12.626 5.548 -5.137 76 HB2 GLU 14 HB2 GLU 14 12.541 5.839 -7.542 77 HB3 GLU 14 HB1 GLU 14 14.151 6.298 -6.985 78 HG2 GLU 14 HG2 GLU 14 14.981 4.034 -7.578 79 HG3 GLU 14 HG1 GLU 14 13.379 3.624 -8.192 80 H GLN 15 HN GLN 15 13.948 2.437 -5.670 81 HA GLN 15 HA GLN 15 11.908 1.072 -6.992 82 HB2 GLN 15 HB2 GLN 15 13.850 0.181 -4.846 83 HB3 GLN 15 HB1 GLN 15 12.763 -0.932 -5.684 84 HG2 GLN 15 HG2 GLN 15 13.729 -0.289 -7.842 85 HG3 GLN 15 HG1 GLN 15 14.772 0.886 -7.044 86 HE21 GLN 15 HE21 GLN 15 14.782 -2.228 -8.272 87 HE22 GLN 15 HE22 GLN 15 16.054 -2.872 -7.350 88 H DBB 16 HN DBB 16 11.754 2.690 -4.048 89 HA DBB 16 HA DBB 16 9.660 0.958 -2.938 90 HB2 DBB 16 HB2 DBB 16 8.251 3.132 -2.662 91 HG1 DBB 16 HG1 DBB 16 7.105 2.637 -4.712 92 HG2 DBB 16 HG2 DBB 16 7.777 1.117 -4.119 93 HG3 DBB 16 HG3 DBB 16 8.570 1.976 -5.440 94 H GLY 17 HN GLY 17 9.205 1.354 -0.735 95 HA2 GLY 17 HA2 GLY 17 9.803 3.261 1.008 96 HA3 GLY 17 HA1 GLY 17 10.170 1.583 1.396 97 H DBU 18 HN DHB 18 11.613 3.961 2.290 98 HB DBU 18 HB DHB 18 15.695 3.532 2.109 99 HG1 DBU 18 HG1 DHB 18 14.875 1.736 3.777 100 HG2 DBU 18 HG2 DHB 18 13.607 1.347 2.617 101 HG3 DBU 18 HG3 DHB 18 15.298 1.063 2.203 102 H CYS 19 HN CYS 19 13.601 4.611 -0.719 103 HA CYS 19 HA CYS 19 13.932 7.468 -0.084 104 HB2 CYS 19 HB2 CYS 19 15.776 7.749 -1.462 105 HB3 CYS 19 HB1 CYS 19 16.108 6.167 -0.769 106 H CYS 20 HN CYS 20 11.785 5.520 -1.188 107 HA CYS 20 HA CYS 20 11.313 6.193 -3.893 108 HB2 CYS 20 HB2 CYS 20 10.031 4.636 -1.919 109 HB3 CYS 20 HB1 CYS 20 8.840 5.809 -2.475 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 6.093 4.466 7.612 2 H2 GLY 1 HT2 GLY 1 7.528 5.279 7.200 3 H3 GLY 1 HT3 GLY 1 7.120 5.044 8.833 4 HA2 GLY 1 HA2 GLY 1 8.436 3.265 8.761 5 HA3 GLY 1 HA1 GLY 1 7.113 2.516 7.866 6 H ARG 2 HN ARG 2 10.353 3.439 7.749 7 HA ARG 2 HA ARG 2 10.730 4.067 5.029 8 HB2 ARG 2 HB2 ARG 2 12.450 4.376 6.794 9 HB3 ARG 2 HB1 ARG 2 12.634 2.625 6.889 10 HG2 ARG 2 HG2 ARG 2 13.267 2.563 4.502 11 HG3 ARG 2 HG1 ARG 2 13.113 4.318 4.422 12 HD2 ARG 2 HD2 ARG 2 14.980 2.868 6.315 13 HD3 ARG 2 HD1 ARG 2 15.475 3.529 4.759 14 HE ARG 2 HE ARG 2 14.205 5.574 6.217 15 HH11 ARG 2 HH11 ARG 2 17.028 3.573 6.293 16 HH12 ARG 2 HH12 ARG 2 18.002 4.741 7.121 17 HH21 ARG 2 HH21 ARG 2 15.474 7.107 7.313 18 HH22 ARG 2 HH22 ARG 2 17.122 6.742 7.699 19 H ILE 3 HN ILE 3 10.783 0.964 6.746 20 HA ILE 3 HA ILE 3 11.326 -0.568 4.365 21 HB ILE 3 HB ILE 3 10.433 -1.385 7.137 22 HG12 ILE 3 HG12 ILE 3 13.127 -1.762 5.823 23 HG13 ILE 3 HG11 ILE 3 12.738 -0.290 6.711 24 HG21 ILE 3 HG21 ILE 3 11.286 -3.650 6.334 25 HG22 ILE 3 HG22 ILE 3 11.250 -2.987 4.700 26 HG23 ILE 3 HG23 ILE 3 9.757 -3.125 5.630 27 HD11 ILE 3 HD11 ILE 3 12.364 -3.034 7.919 28 HD12 ILE 3 HD12 ILE 3 12.418 -1.475 8.745 29 HD13 ILE 3 HD13 ILE 3 13.887 -2.154 8.044 30 H ASP 4 HN ASP 4 8.655 1.074 5.338 31 HA ASP 4 HA ASP 4 6.530 -0.738 4.995 32 HB2 ASP 4 HB2 ASP 4 6.251 1.514 5.953 33 HB3 ASP 4 HB1 ASP 4 6.610 2.226 4.380 34 H DBU 5 HN DHB 5 8.313 1.265 2.657 35 HB DBU 5 HB DHB 5 7.081 1.012 -1.161 36 HG1 DBU 5 HG1 DHB 5 6.531 3.155 0.714 37 HG2 DBU 5 HG2 DHB 5 5.539 2.724 -0.679 38 HG3 DBU 5 HG3 DHB 5 5.233 1.974 0.888 39 H CYS 6 HN CYS 6 10.205 0.522 0.953 40 HA CYS 6 HA CYS 6 10.789 -1.617 -0.823 41 HB2 CYS 6 HB2 CYS 6 12.301 0.346 0.078 42 HB3 CYS 6 HB1 CYS 6 12.687 -0.811 1.350 43 HA PRO 7 HA PRO 7 9.738 -4.737 2.254 44 HB2 PRO 7 HB2 PRO 7 9.798 -6.843 0.510 45 HB3 PRO 7 HB1 PRO 7 8.413 -5.744 0.660 46 HG2 PRO 7 HG2 PRO 7 10.558 -5.816 -1.396 47 HG3 PRO 7 HG1 PRO 7 8.832 -5.459 -1.572 48 HD2 PRO 7 HD2 PRO 7 10.789 -3.519 -1.508 49 HD3 PRO 7 HD1 PRO 7 9.102 -3.237 -1.025 50 H ALA 8 HN ALA 8 11.461 -5.052 3.581 51 HA ALA 8 HA ALA 8 13.619 -5.578 4.256 52 HB1 ALA 8 HB1 ALA 8 13.832 -7.853 4.350 53 HB2 ALA 8 HB2 ALA 8 13.452 -8.069 2.641 54 HB3 ALA 8 HB3 ALA 8 12.157 -7.778 3.804 55 H GLY 9 HN GLY 9 13.329 -4.228 1.552 56 HA2 GLY 9 HA2 GLY 9 15.674 -5.258 0.123 57 HA3 GLY 9 HA1 GLY 9 14.560 -4.024 -0.461 58 H GLY 10 HN GLY 10 17.613 -4.537 0.689 59 HA2 GLY 10 HA2 GLY 10 18.095 -2.331 2.382 60 HA3 GLY 10 HA1 GLY 10 19.310 -3.156 1.406 61 H GLY 11 HN GLY 11 17.962 -2.678 -1.109 62 HA2 GLY 11 HA2 GLY 11 18.799 0.105 -1.509 63 HA3 GLY 11 HA1 GLY 11 18.565 -1.101 -2.771 64 H DBB 12 HN DBB 12 16.543 0.265 -0.161 65 HA DBB 12 HA DBB 12 14.358 0.983 -0.151 66 HB2 DBB 12 HB2 DBB 12 14.345 -0.534 -2.764 67 HG1 DBB 12 HG1 DBB 12 12.776 1.147 -3.200 68 HG2 DBB 12 HG2 DBB 12 12.245 1.227 -1.526 69 HG3 DBB 12 HG3 DBB 12 11.795 -0.154 -2.525 70 H DAL 13 HN DAL 13 16.171 1.510 -3.146 71 HA DAL 13 HA DAL 13 16.468 3.362 -4.436 72 HB1 DAL 13 HB2 DAL 13 16.161 4.306 -1.763 73 HB2 DAL 13 HB3 DAL 13 17.069 5.023 -3.085 74 H GLU 14 HN GLU 14 15.129 3.672 -6.234 75 HA GLU 14 HA GLU 14 12.624 4.995 -5.981 76 HB2 GLU 14 HB2 GLU 14 13.934 3.568 -8.302 77 HB3 GLU 14 HB1 GLU 14 12.421 4.468 -8.425 78 HG2 GLU 14 HG2 GLU 14 13.527 6.507 -7.671 79 HG3 GLU 14 HG1 GLU 14 15.037 5.630 -7.433 80 H GLN 15 HN GLN 15 13.543 1.795 -5.490 81 HA GLN 15 HA GLN 15 11.329 0.371 -6.510 82 HB2 GLN 15 HB2 GLN 15 13.351 -0.157 -4.358 83 HB3 GLN 15 HB1 GLN 15 11.977 -1.243 -4.548 84 HG2 GLN 15 HG2 GLN 15 12.578 -1.607 -6.902 85 HG3 GLN 15 HG1 GLN 15 13.920 -0.475 -6.745 86 HE21 GLN 15 HE21 GLN 15 14.854 -2.843 -7.518 87 HE22 GLN 15 HE22 GLN 15 15.477 -3.763 -6.236 88 H DBB 16 HN DBB 16 11.677 2.421 -3.737 89 HA DBB 16 HA DBB 16 9.212 1.432 -2.507 90 HB2 DBB 16 HB2 DBB 16 8.254 3.773 -2.530 91 HG1 DBB 16 HG1 DBB 16 7.124 3.331 -4.489 92 HG2 DBB 16 HG2 DBB 16 7.876 1.757 -4.225 93 HG3 DBB 16 HG3 DBB 16 8.592 2.896 -5.367 94 H GLY 17 HN GLY 17 9.121 1.801 -0.342 95 HA2 GLY 17 HA2 GLY 17 9.992 3.743 1.269 96 HA3 GLY 17 HA1 GLY 17 10.173 2.055 1.732 97 H DBU 18 HN DHB 18 11.923 4.129 2.570 98 HB DBU 18 HB DHB 18 15.915 3.328 2.312 99 HG1 DBU 18 HG1 DHB 18 15.213 1.429 3.741 100 HG2 DBU 18 HG2 DHB 18 13.596 1.457 3.039 101 HG3 DBU 18 HG3 DHB 18 14.965 0.896 2.079 102 H CYS 19 HN CYS 19 13.446 4.871 -0.332 103 HA CYS 19 HA CYS 19 14.398 7.562 0.404 104 HB2 CYS 19 HB2 CYS 19 15.766 7.743 -1.512 105 HB3 CYS 19 HB1 CYS 19 16.138 6.159 -0.846 106 H CYS 20 HN CYS 20 12.423 5.511 -1.651 107 HA CYS 20 HA CYS 20 11.274 6.959 -3.537 108 HB2 CYS 20 HB2 CYS 20 10.156 5.106 -1.547 109 HB3 CYS 20 HB1 CYS 20 8.967 6.191 -2.267 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 9.283 5.116 7.029 2 H2 GLY 1 HT2 GLY 1 10.476 4.036 7.575 3 H3 GLY 1 HT3 GLY 1 8.832 3.680 7.812 4 HA2 GLY 1 HA2 GLY 1 8.524 2.934 5.727 5 HA3 GLY 1 HA1 GLY 1 9.647 4.119 5.058 6 H ARG 2 HN ARG 2 11.998 3.761 5.949 7 HA ARG 2 HA ARG 2 13.768 2.333 5.275 8 HB2 ARG 2 HB2 ARG 2 12.645 1.285 7.881 9 HB3 ARG 2 HB1 ARG 2 14.234 0.857 7.247 10 HG2 ARG 2 HG2 ARG 2 13.334 3.710 7.738 11 HG3 ARG 2 HG1 ARG 2 14.268 2.764 8.898 12 HD2 ARG 2 HD2 ARG 2 16.032 2.441 7.180 13 HD3 ARG 2 HD1 ARG 2 15.112 3.448 6.070 14 HE ARG 2 HE ARG 2 15.842 4.628 8.651 15 HH11 ARG 2 HH11 ARG 2 16.389 4.273 5.251 16 HH12 ARG 2 HH12 ARG 2 17.317 5.727 5.108 17 HH21 ARG 2 HH21 ARG 2 17.060 6.538 8.469 18 HH22 ARG 2 HH22 ARG 2 17.698 7.009 6.928 19 H ILE 3 HN ILE 3 13.053 -0.463 6.840 20 HA ILE 3 HA ILE 3 12.908 -1.998 4.455 21 HB ILE 3 HB ILE 3 12.249 -2.872 7.276 22 HG12 ILE 3 HG12 ILE 3 14.460 -1.772 7.146 23 HG13 ILE 3 HG11 ILE 3 14.635 -3.509 7.396 24 HG21 ILE 3 HG21 ILE 3 13.086 -5.072 6.366 25 HG22 ILE 3 HG22 ILE 3 13.096 -4.336 4.762 26 HG23 ILE 3 HG23 ILE 3 11.577 -4.518 5.639 27 HD11 ILE 3 HD11 ILE 3 15.366 -1.859 5.051 28 HD12 ILE 3 HD12 ILE 3 14.586 -3.394 4.673 29 HD13 ILE 3 HD13 ILE 3 16.069 -3.372 5.628 30 H ASP 4 HN ASP 4 10.510 -0.589 6.535 31 HA ASP 4 HA ASP 4 8.303 -2.230 5.927 32 HB2 ASP 4 HB2 ASP 4 8.511 0.677 6.717 33 HB3 ASP 4 HB1 ASP 4 6.966 -0.145 6.503 34 H DBU 5 HN DHB 5 9.587 0.671 4.314 35 HB DBU 5 HB DHB 5 7.911 2.126 1.072 36 HG1 DBU 5 HG1 DHB 5 8.569 3.271 3.700 37 HG2 DBU 5 HG2 DHB 5 7.455 3.929 2.502 38 HG3 DBU 5 HG3 DHB 5 6.885 2.750 3.682 39 H CYS 6 HN CYS 6 10.871 -0.006 1.721 40 HA CYS 6 HA CYS 6 9.818 -1.938 -0.254 41 HB2 CYS 6 HB2 CYS 6 12.169 -1.639 -1.264 42 HB3 CYS 6 HB1 CYS 6 11.034 -0.303 -1.445 43 HA PRO 7 HA PRO 7 11.923 -4.388 3.084 44 HB2 PRO 7 HB2 PRO 7 10.113 -6.458 2.959 45 HB3 PRO 7 HB1 PRO 7 9.929 -5.043 4.013 46 HG2 PRO 7 HG2 PRO 7 8.666 -5.617 1.379 47 HG3 PRO 7 HG1 PRO 7 7.971 -4.866 2.827 48 HD2 PRO 7 HD2 PRO 7 8.768 -3.401 0.676 49 HD3 PRO 7 HD1 PRO 7 8.860 -2.777 2.338 50 H ALA 8 HN ALA 8 13.270 -6.171 2.809 51 HA ALA 8 HA ALA 8 14.343 -7.917 1.734 52 HB1 ALA 8 HB1 ALA 8 12.326 -7.633 -0.498 53 HB2 ALA 8 HB2 ALA 8 12.012 -8.563 0.967 54 HB3 ALA 8 HB3 ALA 8 13.324 -9.036 -0.113 55 H GLY 9 HN GLY 9 13.484 -4.956 0.153 56 HA2 GLY 9 HA2 GLY 9 15.534 -5.180 -1.900 57 HA3 GLY 9 HA1 GLY 9 14.463 -3.811 -1.633 58 H GLY 10 HN GLY 10 15.476 -4.376 1.357 59 HA2 GLY 10 HA2 GLY 10 16.947 -3.291 2.762 60 HA3 GLY 10 HA1 GLY 10 18.161 -3.674 1.546 61 H GLY 11 HN GLY 11 18.665 -2.144 -0.066 62 HA2 GLY 11 HA2 GLY 11 19.121 0.408 0.472 63 HA3 GLY 11 HA1 GLY 11 18.558 -0.051 -1.138 64 H DBB 12 HN DBB 12 16.461 0.325 -1.741 65 HA DBB 12 HA DBB 12 14.766 1.793 0.179 66 HB2 DBB 12 HB2 DBB 12 14.233 -0.369 -1.659 67 HG1 DBB 12 HG1 DBB 12 13.678 1.443 -3.244 68 HG2 DBB 12 HG2 DBB 12 12.584 2.136 -2.061 69 HG3 DBB 12 HG3 DBB 12 12.238 0.553 -2.746 70 H DAL 13 HN DAL 13 16.035 1.716 -3.105 71 HA DAL 13 HA DAL 13 16.688 3.544 -4.386 72 HB1 DAL 13 HB2 DAL 13 16.267 4.825 -2.063 73 HB2 DAL 13 HB3 DAL 13 16.583 5.658 -3.577 74 H GLU 14 HN GLU 14 15.694 3.555 -6.429 75 HA GLU 14 HA GLU 14 13.189 4.640 -6.961 76 HB2 GLU 14 HB2 GLU 14 14.770 2.555 -8.486 77 HB3 GLU 14 HB1 GLU 14 13.346 3.381 -9.121 78 HG2 GLU 14 HG2 GLU 14 15.857 4.773 -8.146 79 HG3 GLU 14 HG1 GLU 14 15.471 4.468 -9.838 80 H GLN 15 HN GLN 15 14.003 1.628 -5.548 81 HA GLN 15 HA GLN 15 11.796 0.062 -6.362 82 HB2 GLN 15 HB2 GLN 15 13.832 -0.076 -4.212 83 HB3 GLN 15 HB1 GLN 15 12.321 -0.928 -3.894 84 HG2 GLN 15 HG2 GLN 15 12.541 -2.127 -6.031 85 HG3 GLN 15 HG1 GLN 15 14.036 -1.257 -6.374 86 HE21 GLN 15 HE21 GLN 15 13.382 -4.248 -5.726 87 HE22 GLN 15 HE22 GLN 15 14.523 -4.636 -4.531 88 H DBB 16 HN DBB 16 12.086 2.677 -4.095 89 HA DBB 16 HA DBB 16 9.324 2.162 -3.156 90 HB2 DBB 16 HB2 DBB 16 8.842 4.535 -3.329 91 HG1 DBB 16 HG1 DBB 16 9.320 2.807 -5.483 92 HG2 DBB 16 HG2 DBB 16 10.042 4.344 -5.963 93 HG3 DBB 16 HG3 DBB 16 8.340 4.274 -5.501 94 H GLY 17 HN GLY 17 9.453 1.707 -1.046 95 HA2 GLY 17 HA2 GLY 17 9.863 3.304 1.032 96 HA3 GLY 17 HA1 GLY 17 10.406 1.631 1.100 97 H DBU 18 HN DHB 18 11.571 3.985 2.419 98 HB DBU 18 HB DHB 18 15.622 4.129 2.546 99 HG1 DBU 18 HG1 DHB 18 15.050 1.511 2.346 100 HG2 DBU 18 HG2 DHB 18 15.308 2.182 3.957 101 HG3 DBU 18 HG3 DHB 18 13.667 1.935 3.356 102 H CYS 19 HN CYS 19 13.408 4.958 -0.480 103 HA CYS 19 HA CYS 19 13.946 7.801 0.132 104 HB2 CYS 19 HB2 CYS 19 14.833 7.983 -2.145 105 HB3 CYS 19 HB1 CYS 19 15.684 6.729 -1.254 106 H CYS 20 HN CYS 20 11.539 5.683 -0.677 107 HA CYS 20 HA CYS 20 9.701 7.774 -1.341 108 HB2 CYS 20 HB2 CYS 20 9.046 6.643 -3.559 109 HB3 CYS 20 HB1 CYS 20 10.478 7.671 -3.563 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 5.919 6.902 4.074 2 H2 GLY 1 HT2 GLY 1 6.946 5.859 3.211 3 H3 GLY 1 HT3 GLY 1 7.556 7.301 3.874 4 HA2 GLY 1 HA2 GLY 1 7.464 6.515 6.044 5 HA3 GLY 1 HA1 GLY 1 6.362 5.215 5.590 6 H ARG 2 HN ARG 2 8.992 5.083 6.937 7 HA ARG 2 HA ARG 2 10.954 4.102 5.129 8 HB2 ARG 2 HB2 ARG 2 10.570 3.711 8.102 9 HB3 ARG 2 HB1 ARG 2 11.963 3.095 7.210 10 HG2 ARG 2 HG2 ARG 2 12.519 5.375 6.473 11 HG3 ARG 2 HG1 ARG 2 11.109 6.004 7.325 12 HD2 ARG 2 HD2 ARG 2 12.035 5.183 9.461 13 HD3 ARG 2 HD1 ARG 2 13.446 4.560 8.610 14 HE ARG 2 HE ARG 2 12.840 7.373 9.152 15 HH11 ARG 2 HH11 ARG 2 14.768 4.980 7.563 16 HH12 ARG 2 HH12 ARG 2 16.101 6.046 7.275 17 HH21 ARG 2 HH21 ARG 2 14.586 8.777 8.779 18 HH22 ARG 2 HH22 ARG 2 15.999 8.197 7.963 19 H ILE 3 HN ILE 3 11.642 1.935 4.811 20 HA ILE 3 HA ILE 3 11.235 -0.235 4.173 21 HB ILE 3 HB ILE 3 9.834 -0.131 6.850 22 HG12 ILE 3 HG12 ILE 3 12.201 -1.758 6.699 23 HG13 ILE 3 HG11 ILE 3 12.560 -0.163 6.036 24 HG21 ILE 3 HG21 ILE 3 10.476 -2.748 6.467 25 HG22 ILE 3 HG22 ILE 3 10.050 -2.279 4.820 26 HG23 ILE 3 HG23 ILE 3 8.882 -2.077 6.127 27 HD11 ILE 3 HD11 ILE 3 11.344 0.760 8.126 28 HD12 ILE 3 HD12 ILE 3 12.960 0.089 8.350 29 HD13 ILE 3 HD13 ILE 3 11.541 -0.864 8.787 30 H ASP 4 HN ASP 4 9.038 2.034 3.852 31 HA ASP 4 HA ASP 4 6.727 0.300 3.322 32 HB2 ASP 4 HB2 ASP 4 6.499 2.513 4.543 33 HB3 ASP 4 HB1 ASP 4 6.886 3.300 3.015 34 H DBU 5 HN DHB 5 6.799 -0.693 1.389 35 HB DBU 5 HB DHB 5 6.871 0.537 -2.542 36 HG1 DBU 5 HG1 DHB 5 4.695 1.587 -1.564 37 HG2 DBU 5 HG2 DHB 5 5.672 2.106 -0.190 38 HG3 DBU 5 HG3 DHB 5 5.997 2.754 -1.798 39 H CYS 6 HN CYS 6 9.726 -0.096 -0.049 40 HA CYS 6 HA CYS 6 10.109 -2.671 -1.431 41 HB2 CYS 6 HB2 CYS 6 12.339 -2.012 -1.925 42 HB3 CYS 6 HB1 CYS 6 11.336 -0.619 -2.297 43 HA PRO 7 HA PRO 7 10.712 -3.373 3.144 44 HB2 PRO 7 HB2 PRO 7 9.432 -5.829 3.076 45 HB3 PRO 7 HB1 PRO 7 8.637 -4.292 3.463 46 HG2 PRO 7 HG2 PRO 7 8.671 -5.816 0.910 47 HG3 PRO 7 HG1 PRO 7 7.357 -4.893 1.660 48 HD2 PRO 7 HD2 PRO 7 8.802 -3.915 -0.425 49 HD3 PRO 7 HD1 PRO 7 8.131 -2.861 0.840 50 H ALA 8 HN ALA 8 12.345 -4.625 4.002 51 HA ALA 8 HA ALA 8 14.210 -5.967 4.030 52 HB1 ALA 8 HB1 ALA 8 12.562 -7.545 2.040 53 HB2 ALA 8 HB2 ALA 8 12.639 -7.806 3.782 54 HB3 ALA 8 HB3 ALA 8 14.057 -8.118 2.779 55 H GLY 9 HN GLY 9 13.384 -4.041 1.552 56 HA2 GLY 9 HA2 GLY 9 15.368 -4.874 -0.398 57 HA3 GLY 9 HA1 GLY 9 14.353 -3.437 -0.488 58 H GLY 10 HN GLY 10 17.456 -4.594 0.123 59 HA2 GLY 10 HA2 GLY 10 18.457 -2.760 2.012 60 HA3 GLY 10 HA1 GLY 10 19.415 -3.559 0.766 61 H GLY 11 HN GLY 11 17.839 -2.551 -1.427 62 HA2 GLY 11 HA2 GLY 11 18.892 0.197 -1.506 63 HA3 GLY 11 HA1 GLY 11 18.534 -0.807 -2.910 64 H DBB 12 HN DBB 12 16.827 0.483 -0.044 65 HA DBB 12 HA DBB 12 14.675 1.270 0.202 66 HB2 DBB 12 HB2 DBB 12 14.456 -0.644 -1.914 67 HG1 DBB 12 HG1 DBB 12 14.100 1.287 -3.409 68 HG2 DBB 12 HG2 DBB 12 12.814 1.864 -2.352 69 HG3 DBB 12 HG3 DBB 12 12.624 0.341 -3.218 70 H DAL 13 HN DAL 13 16.107 1.777 -2.994 71 HA DAL 13 HA DAL 13 16.703 3.739 -4.020 72 HB1 DAL 13 HB2 DAL 13 16.154 4.612 -1.397 73 HB2 DAL 13 HB3 DAL 13 17.013 5.479 -2.660 74 H GLU 14 HN GLU 14 15.633 4.950 -5.715 75 HA GLU 14 HA GLU 14 12.984 5.725 -5.795 76 HB2 GLU 14 HB2 GLU 14 13.218 5.836 -8.187 77 HB3 GLU 14 HB1 GLU 14 14.770 6.285 -7.477 78 HG2 GLU 14 HG2 GLU 14 15.582 3.972 -7.807 79 HG3 GLU 14 HG1 GLU 14 14.041 3.544 -8.549 80 H GLN 15 HN GLN 15 14.221 2.545 -5.747 81 HA GLN 15 HA GLN 15 12.290 1.185 -7.292 82 HB2 GLN 15 HB2 GLN 15 14.401 0.154 -6.430 83 HB3 GLN 15 HB1 GLN 15 13.694 0.140 -4.815 84 HG2 GLN 15 HG2 GLN 15 11.858 -1.273 -5.594 85 HG3 GLN 15 HG1 GLN 15 12.484 -1.214 -7.240 86 HE21 GLN 15 HE21 GLN 15 12.179 -3.710 -5.883 87 HE22 GLN 15 HE22 GLN 15 13.722 -4.349 -5.582 88 H DBB 16 HN DBB 16 12.227 2.480 -4.037 89 HA DBB 16 HA DBB 16 9.743 1.149 -3.342 90 HB2 DBB 16 HB2 DBB 16 8.401 3.197 -3.230 91 HG1 DBB 16 HG1 DBB 16 7.994 3.413 -5.562 92 HG2 DBB 16 HG2 DBB 16 8.607 1.773 -5.343 93 HG3 DBB 16 HG3 DBB 16 9.668 3.035 -5.968 94 H GLY 17 HN GLY 17 9.578 0.976 -1.201 95 HA2 GLY 17 HA2 GLY 17 9.874 2.681 0.837 96 HA3 GLY 17 HA1 GLY 17 10.418 1.012 0.979 97 H DBU 18 HN DHB 18 11.625 3.044 2.445 98 HB DBU 18 HB DHB 18 15.668 3.202 2.502 99 HG1 DBU 18 HG1 DHB 18 15.166 1.062 3.684 100 HG2 DBU 18 HG2 DHB 18 13.708 0.849 2.717 101 HG3 DBU 18 HG3 DHB 18 15.295 0.683 1.967 102 H CYS 19 HN CYS 19 13.358 4.573 -0.280 103 HA CYS 19 HA CYS 19 13.737 7.267 0.873 104 HB2 CYS 19 HB2 CYS 19 15.194 7.894 -0.887 105 HB3 CYS 19 HB1 CYS 19 15.773 6.323 -0.347 106 H CYS 20 HN CYS 20 11.548 5.338 -0.509 107 HA CYS 20 HA CYS 20 10.555 7.088 -2.591 108 HB2 CYS 20 HB2 CYS 20 9.780 4.462 -1.440 109 HB3 CYS 20 HB1 CYS 20 8.486 5.427 -2.148 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 7.630 3.983 8.245 2 H2 GLY 1 HT2 GLY 1 6.655 3.985 6.853 3 H3 GLY 1 HT3 GLY 1 6.471 5.203 8.024 4 HA2 GLY 1 HA2 GLY 1 7.688 5.953 6.026 5 HA3 GLY 1 HA1 GLY 1 8.602 6.122 7.524 6 H ARG 2 HN ARG 2 10.234 4.551 8.020 7 HA ARG 2 HA ARG 2 11.770 3.749 5.766 8 HB2 ARG 2 HB2 ARG 2 12.019 3.003 8.689 9 HB3 ARG 2 HB1 ARG 2 13.229 2.658 7.449 10 HG2 ARG 2 HG2 ARG 2 12.214 5.440 8.105 11 HG3 ARG 2 HG1 ARG 2 13.703 4.754 8.756 12 HD2 ARG 2 HD2 ARG 2 14.606 4.491 6.503 13 HD3 ARG 2 HD1 ARG 2 13.095 5.063 5.802 14 HE ARG 2 HE ARG 2 14.268 6.953 7.635 15 HH11 ARG 2 HH11 ARG 2 14.269 5.695 4.411 16 HH12 ARG 2 HH12 ARG 2 14.887 7.148 3.697 17 HH21 ARG 2 HH21 ARG 2 15.079 8.860 6.705 18 HH22 ARG 2 HH22 ARG 2 15.345 8.940 4.997 19 H ILE 3 HN ILE 3 12.297 1.650 5.055 20 HA ILE 3 HA ILE 3 11.845 -0.511 4.436 21 HB ILE 3 HB ILE 3 10.405 -0.837 7.064 22 HG12 ILE 3 HG12 ILE 3 13.097 -1.596 7.376 23 HG13 ILE 3 HG11 ILE 3 13.150 -0.013 6.596 24 HG21 ILE 3 HG21 ILE 3 11.291 -3.113 6.891 25 HG22 ILE 3 HG22 ILE 3 12.166 -2.682 5.422 26 HG23 ILE 3 HG23 ILE 3 10.402 -2.710 5.423 27 HD11 ILE 3 HD11 ILE 3 12.420 -0.689 9.331 28 HD12 ILE 3 HD12 ILE 3 11.141 0.225 8.531 29 HD13 ILE 3 HD13 ILE 3 12.773 0.890 8.628 30 H ASP 4 HN ASP 4 9.595 1.814 4.740 31 HA ASP 4 HA ASP 4 7.261 0.131 4.168 32 HB2 ASP 4 HB2 ASP 4 7.164 2.121 5.743 33 HB3 ASP 4 HB1 ASP 4 7.367 3.146 4.324 34 H DBU 5 HN DHB 5 7.075 -0.528 2.109 35 HB DBU 5 HB DHB 5 6.726 1.315 -1.558 36 HG1 DBU 5 HG1 DHB 5 6.191 2.854 0.973 37 HG2 DBU 5 HG2 DHB 5 5.676 3.257 -0.664 38 HG3 DBU 5 HG3 DHB 5 4.776 2.066 0.274 39 H CYS 6 HN CYS 6 9.670 -0.228 0.938 40 HA CYS 6 HA CYS 6 9.785 -2.461 -0.983 41 HB2 CYS 6 HB2 CYS 6 11.942 -1.817 -1.754 42 HB3 CYS 6 HB1 CYS 6 10.962 -0.365 -1.828 43 HA PRO 7 HA PRO 7 11.097 -3.436 3.448 44 HB2 PRO 7 HB2 PRO 7 9.257 -5.710 2.924 45 HB3 PRO 7 HB1 PRO 7 9.379 -4.665 4.351 46 HG2 PRO 7 HG2 PRO 7 7.350 -4.442 2.646 47 HG3 PRO 7 HG1 PRO 7 8.068 -3.018 3.419 48 HD2 PRO 7 HD2 PRO 7 8.436 -4.022 0.612 49 HD3 PRO 7 HD1 PRO 7 8.300 -2.349 1.205 50 H ALA 8 HN ALA 8 12.702 -4.900 3.938 51 HA ALA 8 HA ALA 8 14.274 -6.552 3.650 52 HB1 ALA 8 HB1 ALA 8 12.966 -7.905 1.398 53 HB2 ALA 8 HB2 ALA 8 11.934 -7.723 2.816 54 HB3 ALA 8 HB3 ALA 8 13.486 -8.551 2.954 55 H GLY 9 HN GLY 9 13.326 -4.366 1.315 56 HA2 GLY 9 HA2 GLY 9 15.276 -5.157 -0.705 57 HA3 GLY 9 HA1 GLY 9 14.178 -3.785 -0.795 58 H GLY 10 HN GLY 10 17.088 -4.978 0.859 59 HA2 GLY 10 HA2 GLY 10 18.062 -2.970 2.304 60 HA3 GLY 10 HA1 GLY 10 19.098 -3.801 1.151 61 H GLY 11 HN GLY 11 17.642 -2.848 -1.186 62 HA2 GLY 11 HA2 GLY 11 18.766 -0.133 -1.284 63 HA3 GLY 11 HA1 GLY 11 18.383 -1.143 -2.675 64 H DBB 12 HN DBB 12 16.696 0.281 0.133 65 HA DBB 12 HA DBB 12 14.613 1.237 0.330 66 HB2 DBB 12 HB2 DBB 12 14.286 -0.793 -1.663 67 HG1 DBB 12 HG1 DBB 12 12.473 0.211 -2.988 68 HG2 DBB 12 HG2 DBB 12 13.988 1.081 -3.235 69 HG3 DBB 12 HG3 DBB 12 12.745 1.761 -2.194 70 H DAL 13 HN DAL 13 16.057 1.491 -2.903 71 HA DAL 13 HA DAL 13 16.602 3.348 -4.116 72 HB1 DAL 13 HB2 DAL 13 16.153 4.420 -1.510 73 HB2 DAL 13 HB3 DAL 13 17.099 5.098 -2.825 74 H GLU 14 HN GLU 14 15.453 4.605 -5.748 75 HA GLU 14 HA GLU 14 12.785 5.349 -5.690 76 HB2 GLU 14 HB2 GLU 14 14.408 6.028 -7.439 77 HB3 GLU 14 HB1 GLU 14 14.355 4.392 -8.096 78 HG2 GLU 14 HG2 GLU 14 12.824 5.771 -9.372 79 HG3 GLU 14 HG1 GLU 14 11.877 4.658 -8.393 80 H GLN 15 HN GLN 15 14.012 2.240 -5.520 81 HA GLN 15 HA GLN 15 12.106 0.794 -7.052 82 HB2 GLN 15 HB2 GLN 15 13.867 0.016 -4.727 83 HB3 GLN 15 HB1 GLN 15 12.822 -1.131 -5.559 84 HG2 GLN 15 HG2 GLN 15 13.952 -0.642 -7.683 85 HG3 GLN 15 HG1 GLN 15 14.966 0.557 -6.883 86 HE21 GLN 15 HE21 GLN 15 16.585 -1.189 -7.951 87 HE22 GLN 15 HE22 GLN 15 17.091 -2.412 -6.888 88 H DBB 16 HN DBB 16 12.024 2.300 -3.936 89 HA DBB 16 HA DBB 16 9.735 0.787 -2.995 90 HB2 DBB 16 HB2 DBB 16 8.055 2.264 -3.439 91 HG1 DBB 16 HG1 DBB 16 9.108 1.817 -5.626 92 HG2 DBB 16 HG2 DBB 16 10.125 3.239 -5.418 93 HG3 DBB 16 HG3 DBB 16 8.382 3.423 -5.582 94 H GLY 17 HN GLY 17 9.475 0.979 -0.824 95 HA2 GLY 17 HA2 GLY 17 9.879 2.960 0.942 96 HA3 GLY 17 HA1 GLY 17 10.336 1.298 1.319 97 H DBU 18 HN DHB 18 11.708 3.396 2.482 98 HB DBU 18 HB DHB 18 15.747 3.378 2.458 99 HG1 DBU 18 HG1 DHB 18 15.557 0.909 2.445 100 HG2 DBU 18 HG2 DHB 18 14.801 1.429 3.951 101 HG3 DBU 18 HG3 DHB 18 13.800 1.013 2.561 102 H CYS 19 HN CYS 19 13.345 4.540 -0.393 103 HA CYS 19 HA CYS 19 13.718 7.342 0.441 104 HB2 CYS 19 HB2 CYS 19 15.301 7.793 -1.232 105 HB3 CYS 19 HB1 CYS 19 15.829 6.247 -0.581 106 H CYS 20 HN CYS 20 12.715 5.134 -2.170 107 HA CYS 20 HA CYS 20 11.488 6.801 -3.934 108 HB2 CYS 20 HB2 CYS 20 10.515 4.929 -4.752 109 HB3 CYS 20 HB1 CYS 20 11.458 4.098 -3.524 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 7.279 4.330 8.282 2 H2 GLY 1 HT2 GLY 1 7.125 2.649 8.094 3 H3 GLY 1 HT3 GLY 1 5.869 3.680 7.600 4 HA2 GLY 1 HA2 GLY 1 6.835 3.254 5.591 5 HA3 GLY 1 HA1 GLY 1 7.705 4.706 6.085 6 H ARG 2 HN ARG 2 9.867 4.600 6.456 7 HA ARG 2 HA ARG 2 11.970 3.700 5.975 8 HB2 ARG 2 HB2 ARG 2 10.871 2.059 8.266 9 HB3 ARG 2 HB1 ARG 2 12.566 2.037 7.775 10 HG2 ARG 2 HG2 ARG 2 12.731 4.456 8.160 11 HG3 ARG 2 HG1 ARG 2 11.026 4.514 8.605 12 HD2 ARG 2 HD2 ARG 2 11.453 2.998 10.493 13 HD3 ARG 2 HD1 ARG 2 13.155 2.907 10.046 14 HE ARG 2 HE ARG 2 13.458 5.079 10.890 15 HH11 ARG 2 HH11 ARG 2 10.134 4.123 10.836 16 HH12 ARG 2 HH12 ARG 2 9.597 5.435 11.832 17 HH21 ARG 2 HH21 ARG 2 12.764 6.801 12.197 18 HH22 ARG 2 HH22 ARG 2 11.086 6.950 12.603 19 H ILE 3 HN ILE 3 11.047 0.579 7.117 20 HA ILE 3 HA ILE 3 12.019 -0.759 4.829 21 HB ILE 3 HB ILE 3 10.269 -1.696 7.105 22 HG12 ILE 3 HG12 ILE 3 13.182 -2.258 6.500 23 HG13 ILE 3 HG11 ILE 3 12.663 -0.906 7.509 24 HG21 ILE 3 HG21 ILE 3 10.116 -3.016 4.887 25 HG22 ILE 3 HG22 ILE 3 10.545 -3.921 6.340 26 HG23 ILE 3 HG23 ILE 3 11.797 -3.457 5.186 27 HD11 ILE 3 HD11 ILE 3 11.514 -2.457 9.024 28 HD12 ILE 3 HD12 ILE 3 13.218 -2.889 8.876 29 HD13 ILE 3 HD13 ILE 3 11.994 -3.817 8.010 30 H ASP 4 HN ASP 4 8.712 0.008 5.880 31 HA ASP 4 HA ASP 4 7.234 -1.413 4.040 32 HB2 ASP 4 HB2 ASP 4 6.794 1.374 5.130 33 HB3 ASP 4 HB1 ASP 4 5.597 0.515 4.163 34 H DBU 5 HN DHB 5 6.776 -1.265 1.894 35 HB DBU 5 HB DHB 5 7.053 1.215 -1.298 36 HG1 DBU 5 HG1 DHB 5 4.725 1.204 0.276 37 HG2 DBU 5 HG2 DHB 5 5.858 2.081 1.305 38 HG3 DBU 5 HG3 DHB 5 5.479 2.689 -0.307 39 H CYS 6 HN CYS 6 9.728 -0.445 1.412 40 HA CYS 6 HA CYS 6 10.622 -2.121 -0.850 41 HB2 CYS 6 HB2 CYS 6 11.547 0.239 -0.934 42 HB3 CYS 6 HB1 CYS 6 12.404 -0.129 0.558 43 HA PRO 7 HA PRO 7 11.203 -4.016 3.441 44 HB2 PRO 7 HB2 PRO 7 10.120 -6.368 1.991 45 HB3 PRO 7 HB1 PRO 7 9.676 -5.722 3.582 46 HG2 PRO 7 HG2 PRO 7 8.087 -5.466 1.441 47 HG3 PRO 7 HG1 PRO 7 8.177 -4.234 2.711 48 HD2 PRO 7 HD2 PRO 7 9.345 -4.189 -0.042 49 HD3 PRO 7 HD1 PRO 7 8.722 -2.848 0.943 50 H ALA 8 HN ALA 8 13.050 -5.117 3.941 51 HA ALA 8 HA ALA 8 15.195 -5.898 3.549 52 HB1 ALA 8 HB1 ALA 8 14.382 -7.938 1.640 53 HB2 ALA 8 HB2 ALA 8 13.283 -7.851 3.018 54 HB3 ALA 8 HB3 ALA 8 15.006 -8.122 3.280 55 H GLY 9 HN GLY 9 13.928 -3.978 1.474 56 HA2 GLY 9 HA2 GLY 9 15.614 -4.644 -0.850 57 HA3 GLY 9 HA1 GLY 9 14.287 -3.482 -0.848 58 H GLY 10 HN GLY 10 17.449 -4.045 0.726 59 HA2 GLY 10 HA2 GLY 10 18.152 -1.755 1.864 60 HA3 GLY 10 HA1 GLY 10 19.269 -2.551 0.758 61 H GLY 11 HN GLY 11 18.327 -2.149 -1.682 62 HA2 GLY 11 HA2 GLY 11 18.739 0.675 -2.115 63 HA3 GLY 11 HA1 GLY 11 18.501 -0.552 -3.357 64 H DBB 12 HN DBB 12 16.492 0.458 -0.606 65 HA DBB 12 HA DBB 12 14.265 0.966 -0.466 66 HB2 DBB 12 HB2 DBB 12 14.380 -0.364 -3.147 67 HG1 DBB 12 HG1 DBB 12 12.231 1.475 -2.144 68 HG2 DBB 12 HG2 DBB 12 11.810 0.083 -3.145 69 HG3 DBB 12 HG3 DBB 12 12.901 1.322 -3.767 70 H DAL 13 HN DAL 13 16.223 2.232 -3.047 71 HA DAL 13 HA DAL 13 16.452 4.523 -3.522 72 HB1 DAL 13 HB2 DAL 13 14.862 6.107 -2.797 73 HB2 DAL 13 HB3 DAL 13 13.614 4.879 -2.607 74 H GLU 14 HN GLU 14 16.161 2.862 -5.532 75 HA GLU 14 HA GLU 14 14.590 4.306 -7.440 76 HB2 GLU 14 HB2 GLU 14 16.758 3.226 -7.993 77 HB3 GLU 14 HB1 GLU 14 16.005 1.649 -7.754 78 HG2 GLU 14 HG2 GLU 14 14.403 2.107 -9.542 79 HG3 GLU 14 HG1 GLU 14 15.061 3.730 -9.747 80 H GLN 15 HN GLN 15 13.657 2.156 -5.149 81 HA GLN 15 HA GLN 15 11.442 1.150 -6.827 82 HB2 GLN 15 HB2 GLN 15 13.192 -0.237 -4.871 83 HB3 GLN 15 HB1 GLN 15 11.483 -0.679 -4.851 84 HG2 GLN 15 HG2 GLN 15 11.585 -1.104 -7.292 85 HG3 GLN 15 HG1 GLN 15 13.297 -0.686 -7.286 86 HE21 GLN 15 HE21 GLN 15 14.398 -2.649 -7.530 87 HE22 GLN 15 HE22 GLN 15 14.093 -4.043 -6.612 88 H DBB 16 HN DBB 16 11.614 3.638 -5.147 89 HA DBB 16 HA DBB 16 9.015 3.460 -4.009 90 HB2 DBB 16 HB2 DBB 16 10.133 5.559 -4.884 91 HG1 DBB 16 HG1 DBB 16 11.478 6.789 -3.112 92 HG2 DBB 16 HG2 DBB 16 12.270 5.454 -3.934 93 HG3 DBB 16 HG3 DBB 16 11.644 5.232 -2.312 94 H GLY 17 HN GLY 17 8.333 2.852 -2.057 95 HA2 GLY 17 HA2 GLY 17 8.438 2.668 0.301 96 HA3 GLY 17 HA1 GLY 17 9.441 1.324 -0.234 97 H DBU 18 HN DHB 18 10.885 1.341 1.483 98 HB DBU 18 HB DHB 18 14.115 2.480 3.160 99 HG1 DBU 18 HG1 DHB 18 12.350 0.067 2.507 100 HG2 DBU 18 HG2 DHB 18 14.072 0.058 2.123 101 HG3 DBU 18 HG3 DHB 18 13.544 0.171 3.803 102 H CYS 19 HN CYS 19 13.608 4.067 0.370 103 HA CYS 19 HA CYS 19 13.847 6.512 1.829 104 HB2 CYS 19 HB2 CYS 19 14.260 6.979 -0.959 105 HB3 CYS 19 HB1 CYS 19 15.463 6.862 0.317 106 H CYS 20 HN CYS 20 11.687 5.406 -0.733 107 HA CYS 20 HA CYS 20 10.483 7.532 -1.791 108 HB2 CYS 20 HB2 CYS 20 9.603 4.923 -1.121 109 HB3 CYS 20 HB1 CYS 20 8.326 6.028 -0.666 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 16.183 2.605 8.718 2 H2 GLY 1 HT2 GLY 1 16.014 4.152 9.397 3 H3 GLY 1 HT3 GLY 1 17.120 3.892 8.133 4 HA2 GLY 1 HA2 GLY 1 14.164 3.664 7.923 5 HA3 GLY 1 HA1 GLY 1 15.137 5.005 7.317 6 H ARG 2 HN ARG 2 17.085 2.425 6.985 7 HA ARG 2 HA ARG 2 16.789 2.320 4.154 8 HB2 ARG 2 HB2 ARG 2 18.954 2.008 5.318 9 HB3 ARG 2 HB1 ARG 2 18.362 0.475 5.958 10 HG2 ARG 2 HG2 ARG 2 18.226 -0.499 3.793 11 HG3 ARG 2 HG1 ARG 2 18.399 1.064 2.996 12 HD2 ARG 2 HD2 ARG 2 20.693 1.261 3.787 13 HD3 ARG 2 HD1 ARG 2 20.537 -0.228 4.714 14 HE ARG 2 HE ARG 2 19.956 -1.002 2.162 15 HH11 ARG 2 HH11 ARG 2 22.519 0.795 3.637 16 HH12 ARG 2 HH12 ARG 2 23.726 0.259 2.515 17 HH21 ARG 2 HH21 ARG 2 21.537 -1.724 0.700 18 HH22 ARG 2 HH22 ARG 2 23.170 -1.167 0.853 19 H ILE 3 HN ILE 3 15.271 0.656 6.714 20 HA ILE 3 HA ILE 3 14.413 -1.519 4.923 21 HB ILE 3 HB ILE 3 14.024 -1.275 7.913 22 HG12 ILE 3 HG12 ILE 3 16.420 -1.315 7.256 23 HG13 ILE 3 HG11 ILE 3 15.944 -2.800 8.085 24 HG21 ILE 3 HG21 ILE 3 13.704 -3.767 7.662 25 HG22 ILE 3 HG22 ILE 3 13.725 -3.538 5.913 26 HG23 ILE 3 HG23 ILE 3 12.448 -2.803 6.885 27 HD11 ILE 3 HD11 ILE 3 17.162 -3.566 6.209 28 HD12 ILE 3 HD12 ILE 3 16.440 -2.360 5.143 29 HD13 ILE 3 HD13 ILE 3 15.478 -3.726 5.710 30 H ASP 4 HN ASP 4 13.461 1.491 5.676 31 HA ASP 4 HA ASP 4 10.741 1.214 6.418 32 HB2 ASP 4 HB2 ASP 4 12.326 3.402 5.085 33 HB3 ASP 4 HB1 ASP 4 10.585 3.550 5.322 34 H DBU 5 HN DHB 5 8.884 1.001 5.216 35 HB DBU 5 HB DHB 5 7.015 0.818 1.786 36 HG1 DBU 5 HG1 DHB 5 5.727 2.274 3.322 37 HG2 DBU 5 HG2 DHB 5 7.170 2.591 4.284 38 HG3 DBU 5 HG3 DHB 5 7.011 3.297 2.676 39 H CYS 6 HN CYS 6 9.455 0.418 0.846 40 HA CYS 6 HA CYS 6 9.419 -2.059 -0.025 41 HB2 CYS 6 HB2 CYS 6 11.528 -1.751 -1.152 42 HB3 CYS 6 HB1 CYS 6 10.742 -0.180 -1.048 43 HA PRO 7 HA PRO 7 11.088 -4.105 3.710 44 HB2 PRO 7 HB2 PRO 7 9.789 -6.477 3.202 45 HB3 PRO 7 HB1 PRO 7 9.060 -5.117 4.076 46 HG2 PRO 7 HG2 PRO 7 8.736 -5.928 1.229 47 HG3 PRO 7 HG1 PRO 7 7.528 -5.328 2.377 48 HD2 PRO 7 HD2 PRO 7 8.623 -3.731 0.465 49 HD3 PRO 7 HD1 PRO 7 8.121 -3.105 2.053 50 H ALA 8 HN ALA 8 12.803 -5.522 3.894 51 HA ALA 8 HA ALA 8 14.724 -6.568 3.161 52 HB1 ALA 8 HB1 ALA 8 14.324 -8.635 1.990 53 HB2 ALA 8 HB2 ALA 8 12.773 -8.051 1.386 54 HB3 ALA 8 HB3 ALA 8 12.982 -8.382 3.106 55 H GLY 9 HN GLY 9 13.469 -4.275 1.448 56 HA2 GLY 9 HA2 GLY 9 14.476 -4.821 -1.207 57 HA3 GLY 9 HA1 GLY 9 13.817 -3.292 -0.631 58 H GLY 10 HN GLY 10 15.921 -4.020 1.696 59 HA2 GLY 10 HA2 GLY 10 17.952 -3.103 2.296 60 HA3 GLY 10 HA1 GLY 10 18.502 -3.787 0.770 61 H GLY 11 HN GLY 11 18.385 -2.477 -1.149 62 HA2 GLY 11 HA2 GLY 11 19.392 0.097 -0.897 63 HA3 GLY 11 HA1 GLY 11 18.617 -0.527 -2.351 64 H DBB 12 HN DBB 12 16.102 -1.009 -0.858 65 HA DBB 12 HA DBB 12 14.836 0.953 0.422 66 HB2 DBB 12 HB2 DBB 12 14.043 -1.105 -1.364 67 HG1 DBB 12 HG1 DBB 12 12.033 0.031 -2.390 68 HG2 DBB 12 HG2 DBB 12 13.581 0.475 -3.104 69 HG3 DBB 12 HG3 DBB 12 12.780 1.575 -1.985 70 H DAL 13 HN DAL 13 15.985 1.101 -2.868 71 HA DAL 13 HA DAL 13 16.442 2.881 -4.221 72 HB1 DAL 13 HB2 DAL 13 15.935 4.224 -1.623 73 HB2 DAL 13 HB3 DAL 13 17.320 4.325 -2.702 74 H GLU 14 HN GLU 14 15.213 4.392 -5.647 75 HA GLU 14 HA GLU 14 12.601 5.209 -5.299 76 HB2 GLU 14 HB2 GLU 14 14.037 4.379 -7.827 77 HB3 GLU 14 HB1 GLU 14 12.456 5.160 -7.811 78 HG2 GLU 14 HG2 GLU 14 13.383 7.092 -6.643 79 HG3 GLU 14 HG1 GLU 14 14.959 6.309 -6.548 80 H GLN 15 HN GLN 15 13.698 2.034 -5.419 81 HA GLN 15 HA GLN 15 11.511 0.778 -6.750 82 HB2 GLN 15 HB2 GLN 15 13.578 -0.247 -4.790 83 HB3 GLN 15 HB1 GLN 15 12.378 -1.280 -5.568 84 HG2 GLN 15 HG2 GLN 15 13.215 -0.635 -7.773 85 HG3 GLN 15 HG1 GLN 15 14.369 0.474 -7.032 86 HE21 GLN 15 HE21 GLN 15 15.779 -1.186 -8.453 87 HE22 GLN 15 HE22 GLN 15 16.392 -2.508 -7.583 88 H DBB 16 HN DBB 16 11.335 2.663 -4.182 89 HA DBB 16 HA DBB 16 9.415 0.963 -2.709 90 HB2 DBB 16 HB2 DBB 16 7.733 2.523 -2.835 91 HG1 DBB 16 HG1 DBB 16 9.430 3.283 -5.223 92 HG2 DBB 16 HG2 DBB 16 7.703 3.593 -5.052 93 HG3 DBB 16 HG3 DBB 16 8.296 1.935 -5.153 94 H GLY 17 HN GLY 17 9.105 1.517 -0.492 95 HA2 GLY 17 HA2 GLY 17 9.924 3.400 1.148 96 HA3 GLY 17 HA1 GLY 17 10.282 1.724 1.547 97 H DBU 18 HN DHB 18 11.791 4.226 2.134 98 HB DBU 18 HB DHB 18 15.848 3.710 1.834 99 HG1 DBU 18 HG1 DHB 18 15.648 1.361 2.287 100 HG2 DBU 18 HG2 DHB 18 14.731 2.016 3.643 101 HG3 DBU 18 HG3 DHB 18 13.889 1.430 2.209 102 H CYS 19 HN CYS 19 13.831 4.661 -0.962 103 HA CYS 19 HA CYS 19 14.136 7.551 -0.446 104 HB2 CYS 19 HB2 CYS 19 15.904 7.752 -1.970 105 HB3 CYS 19 HB1 CYS 19 16.291 6.269 -1.111 106 H CYS 20 HN CYS 20 12.037 5.426 -1.554 107 HA CYS 20 HA CYS 20 11.430 6.731 -4.109 108 HB2 CYS 20 HB2 CYS 20 10.219 4.879 -4.644 109 HB3 CYS 20 HB1 CYS 20 11.226 4.145 -3.399 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 8.557 5.339 4.909 2 H2 GLY 1 HT2 GLY 1 7.645 3.906 4.918 3 H3 GLY 1 HT3 GLY 1 9.121 3.971 4.081 4 HA2 GLY 1 HA2 GLY 1 9.582 4.712 6.750 5 HA3 GLY 1 HA1 GLY 1 8.683 3.193 6.720 6 H ARG 2 HN ARG 2 11.116 4.581 4.511 7 HA ARG 2 HA ARG 2 12.855 3.463 3.430 8 HB2 ARG 2 HB2 ARG 2 13.482 3.157 6.375 9 HB3 ARG 2 HB1 ARG 2 14.648 2.907 5.076 10 HG2 ARG 2 HG2 ARG 2 14.343 5.218 4.320 11 HG3 ARG 2 HG1 ARG 2 13.116 5.479 5.559 12 HD2 ARG 2 HD2 ARG 2 15.221 6.381 6.361 13 HD3 ARG 2 HD1 ARG 2 14.831 4.943 7.300 14 HE ARG 2 HE ARG 2 16.439 4.212 5.086 15 HH11 ARG 2 HH11 ARG 2 16.540 5.909 8.098 16 HH12 ARG 2 HH12 ARG 2 18.217 5.585 8.385 17 HH21 ARG 2 HH21 ARG 2 18.639 3.780 5.454 18 HH22 ARG 2 HH22 ARG 2 19.406 4.379 6.887 19 H ILE 3 HN ILE 3 13.161 1.375 6.203 20 HA ILE 3 HA ILE 3 13.279 -0.979 4.641 21 HB ILE 3 HB ILE 3 12.726 -0.732 7.606 22 HG12 ILE 3 HG12 ILE 3 15.393 -1.121 6.227 23 HG13 ILE 3 HG11 ILE 3 14.792 0.471 6.695 24 HG21 ILE 3 HG21 ILE 3 12.581 -2.969 6.050 25 HG22 ILE 3 HG22 ILE 3 13.060 -2.984 7.747 26 HG23 ILE 3 HG23 ILE 3 14.291 -2.978 6.483 27 HD11 ILE 3 HD11 ILE 3 15.246 -1.880 8.557 28 HD12 ILE 3 HD12 ILE 3 14.577 -0.320 9.040 29 HD13 ILE 3 HD13 ILE 3 16.239 -0.426 8.460 30 H ASP 4 HN ASP 4 10.701 0.417 6.645 31 HA ASP 4 HA ASP 4 8.842 -1.684 6.337 32 HB2 ASP 4 HB2 ASP 4 8.658 1.212 7.071 33 HB3 ASP 4 HB1 ASP 4 7.179 0.315 6.738 34 H DBU 5 HN DHB 5 9.563 1.163 4.365 35 HB DBU 5 HB DHB 5 7.308 1.929 1.183 36 HG1 DBU 5 HG1 DHB 5 7.395 3.790 3.104 37 HG2 DBU 5 HG2 DHB 5 5.845 2.996 2.820 38 HG3 DBU 5 HG3 DHB 5 6.873 2.474 4.157 39 H CYS 6 HN CYS 6 10.832 0.107 2.581 40 HA CYS 6 HA CYS 6 10.824 -1.007 -0.064 41 HB2 CYS 6 HB2 CYS 6 12.822 0.012 1.125 42 HB3 CYS 6 HB1 CYS 6 12.896 -1.467 2.084 43 HA PRO 7 HA PRO 7 9.273 -4.992 1.091 44 HB2 PRO 7 HB2 PRO 7 9.960 -6.353 -1.176 45 HB3 PRO 7 HB1 PRO 7 8.610 -5.204 -1.105 46 HG2 PRO 7 HG2 PRO 7 11.349 -4.842 -2.200 47 HG3 PRO 7 HG1 PRO 7 9.799 -4.224 -2.797 48 HD2 PRO 7 HD2 PRO 7 11.606 -2.706 -1.368 49 HD3 PRO 7 HD1 PRO 7 9.861 -2.374 -1.419 50 H ALA 8 HN ALA 8 11.563 -4.546 2.465 51 HA ALA 8 HA ALA 8 13.090 -5.853 3.630 52 HB1 ALA 8 HB1 ALA 8 12.926 -8.083 3.404 53 HB2 ALA 8 HB2 ALA 8 13.415 -8.018 1.711 54 HB3 ALA 8 HB3 ALA 8 11.725 -7.775 2.152 55 H GLY 9 HN GLY 9 13.289 -4.668 0.509 56 HA2 GLY 9 HA2 GLY 9 15.984 -5.407 -0.137 57 HA3 GLY 9 HA1 GLY 9 15.031 -4.151 -0.920 58 H GLY 10 HN GLY 10 17.835 -4.512 0.537 59 HA2 GLY 10 HA2 GLY 10 17.924 -2.598 2.613 60 HA3 GLY 10 HA1 GLY 10 19.301 -3.137 1.657 61 H GLY 11 HN GLY 11 18.366 -2.327 -0.892 62 HA2 GLY 11 HA2 GLY 11 19.216 0.373 -0.938 63 HA3 GLY 11 HA1 GLY 11 18.497 -0.501 -2.287 64 H DBB 12 HN DBB 12 16.015 -1.138 -1.065 65 HA DBB 12 HA DBB 12 14.514 0.709 0.193 66 HB2 DBB 12 HB2 DBB 12 13.776 -0.807 -2.328 67 HG1 DBB 12 HG1 DBB 12 12.009 0.666 -0.355 68 HG2 DBB 12 HG2 DBB 12 11.447 -0.335 -1.694 69 HG3 DBB 12 HG3 DBB 12 12.326 1.161 -2.017 70 H DAL 13 HN DAL 13 16.087 1.143 -2.851 71 HA DAL 13 HA DAL 13 16.231 2.926 -4.292 72 HB1 DAL 13 HB2 DAL 13 15.425 4.283 -1.723 73 HB2 DAL 13 HB3 DAL 13 17.017 4.225 -2.479 74 H GLU 14 HN GLU 14 14.912 4.149 -5.756 75 HA GLU 14 HA GLU 14 12.346 5.038 -5.486 76 HB2 GLU 14 HB2 GLU 14 13.615 3.693 -7.879 77 HB3 GLU 14 HB1 GLU 14 12.072 4.546 -7.938 78 HG2 GLU 14 HG2 GLU 14 13.532 6.252 -8.537 79 HG3 GLU 14 HG1 GLU 14 13.446 6.485 -6.793 80 H GLN 15 HN GLN 15 13.393 1.802 -5.291 81 HA GLN 15 HA GLN 15 11.175 0.366 -6.213 82 HB2 GLN 15 HB2 GLN 15 13.101 -0.216 -3.955 83 HB3 GLN 15 HB1 GLN 15 11.909 -1.374 -4.547 84 HG2 GLN 15 HG2 GLN 15 12.889 -1.269 -6.792 85 HG3 GLN 15 HG1 GLN 15 14.049 -0.061 -6.247 86 HE21 GLN 15 HE21 GLN 15 13.792 -3.323 -6.862 87 HE22 GLN 15 HE22 GLN 15 14.998 -3.895 -5.814 88 H DBB 16 HN DBB 16 11.605 2.298 -3.359 89 HA DBB 16 HA DBB 16 9.310 1.198 -1.974 90 HB2 DBB 16 HB2 DBB 16 8.241 3.607 -2.058 91 HG1 DBB 16 HG1 DBB 16 7.648 2.417 -4.620 92 HG2 DBB 16 HG2 DBB 16 6.666 2.446 -3.155 93 HG3 DBB 16 HG3 DBB 16 7.844 1.158 -3.401 94 H GLY 17 HN GLY 17 9.559 1.501 0.153 95 HA2 GLY 17 HA2 GLY 17 10.320 3.787 1.500 96 HA3 GLY 17 HA1 GLY 17 10.538 2.160 2.135 97 H DBU 18 HN DHB 18 12.169 4.906 1.660 98 HB DBU 18 HB DHB 18 16.223 3.991 1.634 99 HG1 DBU 18 HG1 DHB 18 15.525 1.552 1.986 100 HG2 DBU 18 HG2 DHB 18 15.539 2.433 3.514 101 HG3 DBU 18 HG3 DHB 18 14.012 2.130 2.685 102 H CYS 19 HN CYS 19 13.536 4.954 -1.066 103 HA CYS 19 HA CYS 19 14.064 7.805 -0.897 104 HB2 CYS 19 HB2 CYS 19 15.824 7.918 -2.452 105 HB3 CYS 19 HB1 CYS 19 16.281 6.575 -1.404 106 H CYS 20 HN CYS 20 11.786 6.037 -1.471 107 HA CYS 20 HA CYS 20 11.222 6.086 -4.263 108 HB2 CYS 20 HB2 CYS 20 9.940 5.173 -1.871 109 HB3 CYS 20 HB1 CYS 20 8.795 6.149 -2.791 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 7.630 6.189 5.484 2 H2 GLY 1 HT2 GLY 1 9.242 6.700 5.313 3 H3 GLY 1 HT3 GLY 1 8.403 6.995 6.760 4 HA2 GLY 1 HA2 GLY 1 9.565 5.187 7.428 5 HA3 GLY 1 HA1 GLY 1 8.158 4.386 6.727 6 H ARG 2 HN ARG 2 11.418 4.280 6.798 7 HA ARG 2 HA ARG 2 12.209 3.998 4.108 8 HB2 ARG 2 HB2 ARG 2 13.303 2.799 6.658 9 HB3 ARG 2 HB1 ARG 2 14.083 2.614 5.087 10 HG2 ARG 2 HG2 ARG 2 14.312 5.028 4.863 11 HG3 ARG 2 HG1 ARG 2 13.407 5.283 6.356 12 HD2 ARG 2 HD2 ARG 2 16.018 3.755 6.186 13 HD3 ARG 2 HD1 ARG 2 15.889 5.445 6.661 14 HE ARG 2 HE ARG 2 14.147 3.979 8.293 15 HH11 ARG 2 HH11 ARG 2 17.526 4.256 7.595 16 HH12 ARG 2 HH12 ARG 2 18.034 3.796 9.185 17 HH21 ARG 2 HH21 ARG 2 14.806 3.375 10.381 18 HH22 ARG 2 HH22 ARG 2 16.494 3.297 10.763 19 H ILE 3 HN ILE 3 10.989 1.637 6.461 20 HA ILE 3 HA ILE 3 11.242 -0.620 4.735 21 HB ILE 3 HB ILE 3 9.500 -0.172 7.170 22 HG12 ILE 3 HG12 ILE 3 11.954 -0.014 7.550 23 HG13 ILE 3 HG11 ILE 3 11.260 -1.439 8.325 24 HG21 ILE 3 HG21 ILE 3 8.515 -2.112 6.575 25 HG22 ILE 3 HG22 ILE 3 10.070 -2.897 6.852 26 HG23 ILE 3 HG23 ILE 3 9.638 -2.341 5.235 27 HD11 ILE 3 HD11 ILE 3 13.270 -1.286 6.227 28 HD12 ILE 3 HD12 ILE 3 11.905 -2.290 5.736 29 HD13 ILE 3 HD13 ILE 3 12.791 -2.667 7.215 30 H ASP 4 HN ASP 4 8.915 1.917 5.048 31 HA ASP 4 HA ASP 4 6.681 0.568 3.899 32 HB2 ASP 4 HB2 ASP 4 6.631 2.724 5.242 33 HB3 ASP 4 HB1 ASP 4 7.226 3.537 3.794 34 H DBU 5 HN DHB 5 6.973 -0.401 1.951 35 HB DBU 5 HB DHB 5 7.369 0.953 -1.909 36 HG1 DBU 5 HG1 DHB 5 5.140 1.992 -1.146 37 HG2 DBU 5 HG2 DHB 5 5.911 2.375 0.392 38 HG3 DBU 5 HG3 DHB 5 6.461 3.161 -1.087 39 H CYS 6 HN CYS 6 10.076 0.321 0.633 40 HA CYS 6 HA CYS 6 10.835 -1.849 -1.086 41 HB2 CYS 6 HB2 CYS 6 12.222 0.209 -0.154 42 HB3 CYS 6 HB1 CYS 6 12.592 -0.925 1.146 43 HA PRO 7 HA PRO 7 9.549 -4.868 2.024 44 HB2 PRO 7 HB2 PRO 7 9.988 -7.031 0.387 45 HB3 PRO 7 HB1 PRO 7 8.508 -6.054 0.358 46 HG2 PRO 7 HG2 PRO 7 10.875 -5.958 -1.447 47 HG3 PRO 7 HG1 PRO 7 9.151 -5.822 -1.836 48 HD2 PRO 7 HD2 PRO 7 10.774 -3.639 -1.683 49 HD3 PRO 7 HD1 PRO 7 9.055 -3.577 -1.238 50 H ALA 8 HN ALA 8 11.287 -4.645 3.465 51 HA ALA 8 HA ALA 8 13.371 -5.022 4.396 52 HB1 ALA 8 HB1 ALA 8 11.994 -7.369 4.084 53 HB2 ALA 8 HB2 ALA 8 13.509 -7.205 4.973 54 HB3 ALA 8 HB3 ALA 8 13.527 -7.745 3.294 55 H GLY 9 HN GLY 9 13.251 -4.186 1.470 56 HA2 GLY 9 HA2 GLY 9 15.681 -5.386 0.380 57 HA3 GLY 9 HA1 GLY 9 14.640 -4.216 -0.426 58 H GLY 10 HN GLY 10 17.644 -4.567 0.715 59 HA2 GLY 10 HA2 GLY 10 18.127 -2.276 2.296 60 HA3 GLY 10 HA1 GLY 10 19.332 -3.135 1.344 61 H GLY 11 HN GLY 11 18.032 -2.782 -1.196 62 HA2 GLY 11 HA2 GLY 11 18.861 -0.030 -1.723 63 HA3 GLY 11 HA1 GLY 11 18.534 -1.273 -2.929 64 H DBB 12 HN DBB 12 16.591 0.070 -0.255 65 HA DBB 12 HA DBB 12 14.419 0.830 -0.208 66 HB2 DBB 12 HB2 DBB 12 14.393 -0.576 -2.885 67 HG1 DBB 12 HG1 DBB 12 11.810 -0.170 -2.503 68 HG2 DBB 12 HG2 DBB 12 12.797 1.043 -3.321 69 HG3 DBB 12 HG3 DBB 12 12.382 1.246 -1.619 70 H DAL 13 HN DAL 13 16.136 1.398 -3.258 71 HA DAL 13 HA DAL 13 16.501 3.331 -4.449 72 HB1 DAL 13 HB2 DAL 13 16.097 4.205 -1.729 73 HB2 DAL 13 HB3 DAL 13 17.109 4.915 -2.986 74 H GLU 14 HN GLU 14 15.181 3.566 -6.206 75 HA GLU 14 HA GLU 14 12.681 4.916 -6.050 76 HB2 GLU 14 HB2 GLU 14 13.993 3.340 -8.272 77 HB3 GLU 14 HB1 GLU 14 12.483 4.231 -8.467 78 HG2 GLU 14 HG2 GLU 14 15.101 5.449 -7.539 79 HG3 GLU 14 HG1 GLU 14 14.469 5.558 -9.180 80 H GLN 15 HN GLN 15 13.599 1.647 -5.625 81 HA GLN 15 HA GLN 15 11.360 0.241 -6.514 82 HB2 GLN 15 HB2 GLN 15 13.448 -0.203 -4.439 83 HB3 GLN 15 HB1 GLN 15 12.002 -1.209 -4.360 84 HG2 GLN 15 HG2 GLN 15 12.320 -1.875 -6.706 85 HG3 GLN 15 HG1 GLN 15 13.751 -0.850 -6.811 86 HE21 GLN 15 HE21 GLN 15 15.719 -1.631 -5.863 87 HE22 GLN 15 HE22 GLN 15 15.858 -3.186 -5.196 88 H DBB 16 HN DBB 16 11.732 2.389 -3.826 89 HA DBB 16 HA DBB 16 9.223 1.496 -2.599 90 HB2 DBB 16 HB2 DBB 16 8.368 3.867 -2.635 91 HG1 DBB 16 HG1 DBB 16 8.318 3.566 -5.416 92 HG2 DBB 16 HG2 DBB 16 7.155 2.909 -4.266 93 HG3 DBB 16 HG3 DBB 16 8.521 1.929 -4.794 94 H GLY 17 HN GLY 17 9.127 1.868 -0.434 95 HA2 GLY 17 HA2 GLY 17 10.042 3.750 1.202 96 HA3 GLY 17 HA1 GLY 17 10.212 2.051 1.639 97 H DBU 18 HN DHB 18 11.976 4.218 2.401 98 HB DBU 18 HB DHB 18 15.964 3.367 2.176 99 HG1 DBU 18 HG1 DHB 18 15.093 1.533 3.692 100 HG2 DBU 18 HG2 DHB 18 13.616 1.460 2.730 101 HG3 DBU 18 HG3 DHB 18 15.150 0.939 2.032 102 H CYS 19 HN CYS 19 13.455 4.958 -0.448 103 HA CYS 19 HA CYS 19 14.450 7.628 0.301 104 HB2 CYS 19 HB2 CYS 19 15.743 7.830 -1.707 105 HB3 CYS 19 HB1 CYS 19 16.220 6.317 -0.938 106 H CYS 20 HN CYS 20 12.397 5.616 -1.681 107 HA CYS 20 HA CYS 20 11.301 7.129 -3.584 108 HB2 CYS 20 HB2 CYS 20 10.101 5.276 -1.604 109 HB3 CYS 20 HB1 CYS 20 8.978 6.301 -2.499 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 18.094 2.332 10.845 2 H2 GLY 1 HT2 GLY 1 16.747 2.014 11.831 3 H3 GLY 1 HT3 GLY 1 16.631 3.142 10.565 4 HA2 GLY 1 HA2 GLY 1 17.333 0.334 10.003 5 HA3 GLY 1 HA1 GLY 1 15.648 0.816 10.206 6 H ARG 2 HN ARG 2 18.435 0.940 8.162 7 HA ARG 2 HA ARG 2 17.613 2.964 6.359 8 HB2 ARG 2 HB2 ARG 2 19.427 0.569 6.028 9 HB3 ARG 2 HB1 ARG 2 19.177 1.773 4.763 10 HG2 ARG 2 HG2 ARG 2 19.969 3.547 6.255 11 HG3 ARG 2 HG1 ARG 2 20.159 2.383 7.567 12 HD2 ARG 2 HD2 ARG 2 22.326 2.768 6.522 13 HD3 ARG 2 HD1 ARG 2 21.795 1.126 6.172 14 HE ARG 2 HE ARG 2 21.545 1.723 3.921 15 HH11 ARG 2 HH11 ARG 2 22.153 4.464 5.945 16 HH12 ARG 2 HH12 ARG 2 22.447 5.546 4.626 17 HH21 ARG 2 HH21 ARG 2 21.931 3.137 2.185 18 HH22 ARG 2 HH22 ARG 2 22.322 4.795 2.498 19 H ILE 3 HN ILE 3 16.972 -0.503 6.532 20 HA ILE 3 HA ILE 3 15.457 -0.449 4.039 21 HB ILE 3 HB ILE 3 15.820 -2.727 5.996 22 HG12 ILE 3 HG12 ILE 3 17.331 -2.589 3.435 23 HG13 ILE 3 HG11 ILE 3 17.872 -1.516 4.726 24 HG21 ILE 3 HG21 ILE 3 14.531 -3.906 4.575 25 HG22 ILE 3 HG22 ILE 3 15.520 -3.406 3.202 26 HG23 ILE 3 HG23 ILE 3 14.171 -2.400 3.729 27 HD11 ILE 3 HD11 ILE 3 17.333 -4.059 5.895 28 HD12 ILE 3 HD12 ILE 3 18.892 -3.252 5.728 29 HD13 ILE 3 HD13 ILE 3 18.319 -4.333 4.458 30 H ASP 4 HN ASP 4 14.732 0.857 6.783 31 HA ASP 4 HA ASP 4 12.382 -0.404 7.725 32 HB2 ASP 4 HB2 ASP 4 13.547 2.346 7.948 33 HB3 ASP 4 HB1 ASP 4 11.887 2.070 8.474 34 H DBU 5 HN DHB 5 12.968 1.979 5.177 35 HB DBU 5 HB DHB 5 9.971 3.608 3.193 36 HG1 DBU 5 HG1 DHB 5 10.207 5.036 5.337 37 HG2 DBU 5 HG2 DHB 5 11.843 4.395 5.498 38 HG3 DBU 5 HG3 DHB 5 11.429 5.426 4.128 39 H CYS 6 HN CYS 6 12.571 0.593 2.886 40 HA CYS 6 HA CYS 6 10.408 -0.632 1.387 41 HB2 CYS 6 HB2 CYS 6 13.407 -0.912 1.370 42 HB3 CYS 6 HB1 CYS 6 12.373 -2.010 0.456 43 HA PRO 7 HA PRO 7 9.891 -4.037 4.136 44 HB2 PRO 7 HB2 PRO 7 8.658 -5.780 2.438 45 HB3 PRO 7 HB1 PRO 7 7.854 -4.345 3.103 46 HG2 PRO 7 HG2 PRO 7 9.023 -4.784 0.408 47 HG3 PRO 7 HG1 PRO 7 7.575 -3.877 0.881 48 HD2 PRO 7 HD2 PRO 7 10.018 -2.710 0.275 49 HD3 PRO 7 HD1 PRO 7 8.770 -1.947 1.284 50 H ALA 8 HN ALA 8 12.517 -3.910 3.276 51 HA ALA 8 HA ALA 8 14.300 -5.421 3.452 52 HB1 ALA 8 HB1 ALA 8 12.897 -7.743 2.316 53 HB2 ALA 8 HB2 ALA 8 12.199 -7.140 3.819 54 HB3 ALA 8 HB3 ALA 8 13.894 -7.624 3.766 55 H GLY 9 HN GLY 9 13.443 -3.785 1.206 56 HA2 GLY 9 HA2 GLY 9 14.046 -5.340 -1.183 57 HA3 GLY 9 HA1 GLY 9 13.644 -3.627 -1.122 58 H GLY 10 HN GLY 10 15.930 -4.294 1.212 59 HA2 GLY 10 HA2 GLY 10 18.238 -4.101 1.330 60 HA3 GLY 10 HA1 GLY 10 18.301 -4.221 -0.425 61 H GLY 11 HN GLY 11 18.483 -2.392 -1.633 62 HA2 GLY 11 HA2 GLY 11 19.414 -0.013 -0.472 63 HA3 GLY 11 HA1 GLY 11 18.863 -0.179 -2.136 64 H DBB 12 HN DBB 12 16.194 -0.896 -1.679 65 HA DBB 12 HA DBB 12 14.849 0.822 0.132 66 HB2 DBB 12 HB2 DBB 12 13.991 -1.294 -1.163 67 HG1 DBB 12 HG1 DBB 12 14.435 0.330 -3.314 68 HG2 DBB 12 HG2 DBB 12 12.716 0.602 -3.030 69 HG3 DBB 12 HG3 DBB 12 13.316 -1.032 -3.312 70 H DAL 13 HN DAL 13 16.494 1.467 -2.744 71 HA DAL 13 HA DAL 13 16.622 3.300 -4.128 72 HB1 DAL 13 HB2 DAL 13 16.009 4.318 -1.425 73 HB2 DAL 13 HB3 DAL 13 17.304 4.766 -2.536 74 H GLU 14 HN GLU 14 15.325 4.873 -5.379 75 HA GLU 14 HA GLU 14 12.623 5.368 -5.144 76 HB2 GLU 14 HB2 GLU 14 14.119 6.397 -6.843 77 HB3 GLU 14 HB1 GLU 14 14.104 4.877 -7.738 78 HG2 GLU 14 HG2 GLU 14 12.429 6.288 -8.730 79 HG3 GLU 14 HG1 GLU 14 11.578 5.054 -7.802 80 H GLN 15 HN GLN 15 14.101 2.370 -5.590 81 HA GLN 15 HA GLN 15 12.187 1.035 -7.201 82 HB2 GLN 15 HB2 GLN 15 14.143 0.047 -5.120 83 HB3 GLN 15 HB1 GLN 15 13.121 -1.034 -6.066 84 HG2 GLN 15 HG2 GLN 15 14.068 -0.133 -8.148 85 HG3 GLN 15 HG1 GLN 15 15.072 0.980 -7.218 86 HE21 GLN 15 HE21 GLN 15 15.301 -1.875 -8.852 87 HE22 GLN 15 HE22 GLN 15 16.531 -2.625 -7.955 88 H DBB 16 HN DBB 16 11.888 2.395 -4.158 89 HA DBB 16 HA DBB 16 9.954 0.446 -3.155 90 HB2 DBB 16 HB2 DBB 16 8.059 1.759 -3.347 91 HG1 DBB 16 HG1 DBB 16 7.903 2.424 -5.589 92 HG2 DBB 16 HG2 DBB 16 9.238 1.271 -5.611 93 HG3 DBB 16 HG3 DBB 16 9.569 3.003 -5.633 94 H GLY 17 HN GLY 17 8.783 1.817 -1.172 95 HA2 GLY 17 HA2 GLY 17 9.240 3.307 0.673 96 HA3 GLY 17 HA1 GLY 17 10.001 1.771 1.071 97 H DBU 18 HN DHB 18 11.933 2.158 1.977 98 HB DBU 18 HB DHB 18 15.581 3.391 1.943 99 HG1 DBU 18 HG1 DHB 18 14.651 1.283 3.390 100 HG2 DBU 18 HG2 DHB 18 14.032 0.780 1.817 101 HG3 DBU 18 HG3 DHB 18 15.767 0.989 2.057 102 H CYS 19 HN CYS 19 14.051 4.394 -0.771 103 HA CYS 19 HA CYS 19 13.671 7.186 0.131 104 HB2 CYS 19 HB2 CYS 19 15.337 7.869 -1.395 105 HB3 CYS 19 HB1 CYS 19 15.986 6.398 -0.670 106 H CYS 20 HN CYS 20 12.363 4.760 -1.809 107 HA CYS 20 HA CYS 20 11.429 6.309 -4.010 108 HB2 CYS 20 HB2 CYS 20 10.703 4.315 -4.739 109 HB3 CYS 20 HB1 CYS 20 11.378 3.614 -3.269 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 15.476 0.030 11.047 2 H2 GLY 1 HT2 GLY 1 16.413 -1.223 10.384 3 H3 GLY 1 HT3 GLY 1 15.233 -1.570 11.556 4 HA2 GLY 1 HA2 GLY 1 14.305 -2.209 9.499 5 HA3 GLY 1 HA1 GLY 1 13.528 -0.695 9.963 6 H ARG 2 HN ARG 2 16.366 -1.904 8.173 7 HA ARG 2 HA ARG 2 16.896 0.445 6.726 8 HB2 ARG 2 HB2 ARG 2 17.431 -2.462 6.106 9 HB3 ARG 2 HB1 ARG 2 18.008 -1.143 5.087 10 HG2 ARG 2 HG2 ARG 2 19.244 -0.186 6.959 11 HG3 ARG 2 HG1 ARG 2 18.600 -1.414 8.050 12 HD2 ARG 2 HD2 ARG 2 20.848 -2.060 7.362 13 HD3 ARG 2 HD1 ARG 2 19.681 -3.170 6.648 14 HE ARG 2 HE ARG 2 20.181 -2.282 4.535 15 HH11 ARG 2 HH11 ARG 2 21.655 -0.494 7.104 16 HH12 ARG 2 HH12 ARG 2 22.699 0.413 6.060 17 HH21 ARG 2 HH21 ARG 2 21.546 -1.097 3.159 18 HH22 ARG 2 HH22 ARG 2 22.636 0.073 3.826 19 H ILE 3 HN ILE 3 14.677 -2.221 6.121 20 HA ILE 3 HA ILE 3 13.994 -1.664 3.458 21 HB ILE 3 HB ILE 3 12.051 -2.995 3.824 22 HG12 ILE 3 HG12 ILE 3 11.322 -1.654 5.857 23 HG13 ILE 3 HG11 ILE 3 11.073 -3.389 5.985 24 HG21 ILE 3 HG21 ILE 3 12.980 -4.939 4.924 25 HG22 ILE 3 HG22 ILE 3 14.111 -3.940 5.836 26 HG23 ILE 3 HG23 ILE 3 14.298 -4.114 4.091 27 HD11 ILE 3 HD11 ILE 3 13.306 -1.761 7.218 28 HD12 ILE 3 HD12 ILE 3 13.328 -3.521 7.146 29 HD13 ILE 3 HD13 ILE 3 12.067 -2.693 8.055 30 H ASP 4 HN ASP 4 12.761 -0.324 6.501 31 HA ASP 4 HA ASP 4 10.997 1.214 6.793 32 HB2 ASP 4 HB2 ASP 4 13.235 2.536 5.263 33 HB3 ASP 4 HB1 ASP 4 11.873 3.448 5.909 34 H DBU 5 HN DHB 5 9.829 -0.310 5.019 35 HB DBU 5 HB DHB 5 7.022 1.026 2.460 36 HG1 DBU 5 HG1 DHB 5 7.053 1.066 5.436 37 HG2 DBU 5 HG2 DHB 5 7.317 2.669 4.749 38 HG3 DBU 5 HG3 DHB 5 5.846 1.777 4.365 39 H CYS 6 HN CYS 6 10.840 -1.034 3.252 40 HA CYS 6 HA CYS 6 10.519 -1.579 0.387 41 HB2 CYS 6 HB2 CYS 6 12.103 0.209 0.325 42 HB3 CYS 6 HB1 CYS 6 13.014 -0.464 1.677 43 HA PRO 7 HA PRO 7 11.608 -5.232 3.100 44 HB2 PRO 7 HB2 PRO 7 9.473 -6.770 2.317 45 HB3 PRO 7 HB1 PRO 7 9.434 -5.662 3.702 46 HG2 PRO 7 HG2 PRO 7 8.365 -5.292 0.952 47 HG3 PRO 7 HG1 PRO 7 7.687 -4.785 2.508 48 HD2 PRO 7 HD2 PRO 7 8.991 -3.069 0.815 49 HD3 PRO 7 HD1 PRO 7 8.949 -2.852 2.579 50 H ALA 8 HN ALA 8 12.153 -4.339 0.179 51 HA ALA 8 HA ALA 8 12.478 -7.034 -0.994 52 HB1 ALA 8 HB1 ALA 8 11.241 -5.859 -2.568 53 HB2 ALA 8 HB2 ALA 8 12.887 -5.551 -3.123 54 HB3 ALA 8 HB3 ALA 8 12.026 -4.325 -2.192 55 H GLY 9 HN GLY 9 14.096 -4.109 -0.001 56 HA2 GLY 9 HA2 GLY 9 16.655 -5.416 -0.009 57 HA3 GLY 9 HA1 GLY 9 16.519 -4.194 -1.273 58 H GLY 10 HN GLY 10 18.310 -4.121 0.974 59 HA2 GLY 10 HA2 GLY 10 17.380 -2.447 3.059 60 HA3 GLY 10 HA1 GLY 10 19.063 -2.675 2.603 61 H GLY 11 HN GLY 11 18.705 -1.788 -0.136 62 HA2 GLY 11 HA2 GLY 11 19.223 0.967 0.173 63 HA3 GLY 11 HA1 GLY 11 18.884 0.155 -1.356 64 H DBB 12 HN DBB 12 16.288 -0.795 -0.724 65 HA DBB 12 HA DBB 12 14.379 0.790 0.314 66 HB2 DBB 12 HB2 DBB 12 14.417 -0.710 -2.303 67 HG1 DBB 12 HG1 DBB 12 12.854 0.876 -2.911 68 HG2 DBB 12 HG2 DBB 12 12.370 1.200 -1.247 69 HG3 DBB 12 HG3 DBB 12 11.818 -0.268 -2.054 70 H DAL 13 HN DAL 13 16.445 1.599 -2.359 71 HA DAL 13 HA DAL 13 16.665 3.492 -3.631 72 HB1 DAL 13 HB2 DAL 13 15.447 4.575 -1.102 73 HB2 DAL 13 HB3 DAL 13 17.106 4.692 -1.675 74 H GLU 14 HN GLU 14 15.459 3.737 -5.508 75 HA GLU 14 HA GLU 14 12.839 4.863 -5.466 76 HB2 GLU 14 HB2 GLU 14 12.907 4.545 -7.887 77 HB3 GLU 14 HB1 GLU 14 14.435 5.218 -7.322 78 HG2 GLU 14 HG2 GLU 14 15.385 2.906 -7.275 79 HG3 GLU 14 HG1 GLU 14 13.879 2.310 -7.969 80 H GLN 15 HN GLN 15 14.001 1.724 -4.991 81 HA GLN 15 HA GLN 15 12.010 0.155 -6.230 82 HB2 GLN 15 HB2 GLN 15 13.989 -0.237 -4.039 83 HB3 GLN 15 HB1 GLN 15 12.648 -1.383 -4.131 84 HG2 GLN 15 HG2 GLN 15 14.499 -0.675 -6.427 85 HG3 GLN 15 HG1 GLN 15 14.605 -2.142 -5.455 86 HE21 GLN 15 HE21 GLN 15 13.573 -1.220 -8.408 87 HE22 GLN 15 HE22 GLN 15 12.238 -2.249 -8.605 88 H DBB 16 HN DBB 16 11.752 2.397 -3.740 89 HA DBB 16 HA DBB 16 9.422 1.055 -2.532 90 HB2 DBB 16 HB2 DBB 16 8.361 3.469 -2.662 91 HG1 DBB 16 HG1 DBB 16 6.971 2.543 -4.209 92 HG2 DBB 16 HG2 DBB 16 7.939 1.098 -3.915 93 HG3 DBB 16 HG3 DBB 16 8.293 2.130 -5.301 94 H GLY 17 HN GLY 17 8.947 1.702 -0.424 95 HA2 GLY 17 HA2 GLY 17 9.585 3.747 1.131 96 HA3 GLY 17 HA1 GLY 17 9.832 2.108 1.719 97 H DBU 18 HN DHB 18 11.331 4.762 2.053 98 HB DBU 18 HB DHB 18 15.393 4.156 2.376 99 HG1 DBU 18 HG1 DHB 18 14.757 1.650 2.423 100 HG2 DBU 18 HG2 DHB 18 14.615 2.408 4.009 101 HG3 DBU 18 HG3 DHB 18 13.172 2.134 3.031 102 H CYS 19 HN CYS 19 13.480 5.059 -0.664 103 HA CYS 19 HA CYS 19 13.663 7.956 -0.224 104 HB2 CYS 19 HB2 CYS 19 15.640 8.229 -1.435 105 HB3 CYS 19 HB1 CYS 19 15.983 6.806 -0.472 106 H CYS 20 HN CYS 20 12.023 5.566 -1.613 107 HA CYS 20 HA CYS 20 11.754 5.849 -4.289 108 HB2 CYS 20 HB2 CYS 20 10.084 4.962 -2.187 109 HB3 CYS 20 HB1 CYS 20 9.109 6.047 -3.179 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 15.042 1.155 10.391 2 H2 GLY 1 HT2 GLY 1 14.491 -0.211 9.545 3 H3 GLY 1 HT3 GLY 1 14.253 -0.093 11.224 4 HA2 GLY 1 HA2 GLY 1 12.182 0.473 10.445 5 HA3 GLY 1 HA1 GLY 1 12.955 2.047 10.639 6 H ARG 2 HN ARG 2 14.791 1.455 8.357 7 HA ARG 2 HA ARG 2 13.278 2.667 6.293 8 HB2 ARG 2 HB2 ARG 2 15.952 1.257 6.260 9 HB3 ARG 2 HB1 ARG 2 15.279 2.109 4.870 10 HG2 ARG 2 HG2 ARG 2 15.158 4.186 6.193 11 HG3 ARG 2 HG1 ARG 2 15.824 3.339 7.588 12 HD2 ARG 2 HD2 ARG 2 17.241 3.537 4.921 13 HD3 ARG 2 HD1 ARG 2 17.521 4.653 6.255 14 HE ARG 2 HE ARG 2 18.022 2.396 7.510 15 HH11 ARG 2 HH11 ARG 2 18.762 3.275 4.245 16 HH12 ARG 2 HH12 ARG 2 20.173 2.275 4.150 17 HH21 ARG 2 HH21 ARG 2 19.871 1.081 7.391 18 HH22 ARG 2 HH22 ARG 2 20.802 1.033 5.932 19 H ILE 3 HN ILE 3 14.231 -0.679 6.926 20 HA ILE 3 HA ILE 3 13.413 -1.823 4.499 21 HB ILE 3 HB ILE 3 13.391 -3.010 7.284 22 HG12 ILE 3 HG12 ILE 3 15.594 -2.159 6.489 23 HG13 ILE 3 HG11 ILE 3 15.576 -3.916 6.636 24 HG21 ILE 3 HG21 ILE 3 12.137 -4.557 6.105 25 HG22 ILE 3 HG22 ILE 3 13.759 -5.120 5.700 26 HG23 ILE 3 HG23 ILE 3 12.861 -4.120 4.557 27 HD11 ILE 3 HD11 ILE 3 16.418 -3.835 4.516 28 HD12 ILE 3 HD12 ILE 3 15.764 -2.227 4.209 29 HD13 ILE 3 HD13 ILE 3 14.722 -3.642 4.073 30 H ASP 4 HN ASP 4 11.560 -0.151 6.685 31 HA ASP 4 HA ASP 4 9.179 -1.677 6.805 32 HB2 ASP 4 HB2 ASP 4 9.868 1.211 7.188 33 HB3 ASP 4 HB1 ASP 4 8.173 0.738 7.085 34 H DBU 5 HN DHB 5 10.386 0.710 4.475 35 HB DBU 5 HB DHB 5 8.003 1.730 1.443 36 HG1 DBU 5 HG1 DHB 5 8.318 3.747 2.964 37 HG2 DBU 5 HG2 DHB 5 6.825 2.903 3.381 38 HG3 DBU 5 HG3 DHB 5 8.274 2.669 4.359 39 H CYS 6 HN CYS 6 11.352 -0.187 2.244 40 HA CYS 6 HA CYS 6 10.390 -2.072 0.198 41 HB2 CYS 6 HB2 CYS 6 13.289 -1.488 0.539 42 HB3 CYS 6 HB1 CYS 6 12.354 -1.729 -0.937 43 HA PRO 7 HA PRO 7 11.513 -4.961 3.563 44 HB2 PRO 7 HB2 PRO 7 9.786 -6.922 2.759 45 HB3 PRO 7 HB1 PRO 7 9.300 -5.554 3.779 46 HG2 PRO 7 HG2 PRO 7 8.912 -5.968 0.860 47 HG3 PRO 7 HG1 PRO 7 7.818 -5.254 2.055 48 HD2 PRO 7 HD2 PRO 7 9.335 -3.758 0.315 49 HD3 PRO 7 HD1 PRO 7 8.815 -3.168 1.909 50 H ALA 8 HN ALA 8 13.287 -6.198 3.355 51 HA ALA 8 HA ALA 8 14.715 -7.827 2.546 52 HB1 ALA 8 HB1 ALA 8 13.931 -9.435 1.112 53 HB2 ALA 8 HB2 ALA 8 13.139 -8.261 0.061 54 HB3 ALA 8 HB3 ALA 8 12.387 -8.725 1.586 55 H GLY 9 HN GLY 9 13.540 -5.178 0.698 56 HA2 GLY 9 HA2 GLY 9 15.318 -5.244 -1.499 57 HA3 GLY 9 HA1 GLY 9 14.517 -3.806 -0.871 58 H GLY 10 HN GLY 10 15.612 -3.926 1.768 59 HA2 GLY 10 HA2 GLY 10 17.514 -3.417 2.986 60 HA3 GLY 10 HA1 GLY 10 18.484 -3.976 1.626 61 H GLY 11 HN GLY 11 17.279 -2.245 -0.334 62 HA2 GLY 11 HA2 GLY 11 18.717 0.215 0.326 63 HA3 GLY 11 HA1 GLY 11 18.125 -0.254 -1.266 64 H DBB 12 HN DBB 12 16.028 0.253 -1.874 65 HA DBB 12 HA DBB 12 14.418 1.800 0.059 66 HB2 DBB 12 HB2 DBB 12 13.743 -0.258 -1.809 67 HG1 DBB 12 HG1 DBB 12 12.327 2.362 -2.350 68 HG2 DBB 12 HG2 DBB 12 12.065 0.818 -3.158 69 HG3 DBB 12 HG3 DBB 12 13.578 1.692 -3.397 70 H DAL 13 HN DAL 13 15.757 1.825 -3.210 71 HA DAL 13 HA DAL 13 16.464 3.672 -4.440 72 HB1 DAL 13 HB2 DAL 13 16.237 4.813 -2.001 73 HB2 DAL 13 HB3 DAL 13 16.586 5.729 -3.468 74 H GLU 14 HN GLU 14 15.451 4.157 -6.363 75 HA GLU 14 HA GLU 14 12.923 5.317 -6.654 76 HB2 GLU 14 HB2 GLU 14 13.090 4.734 -8.997 77 HB3 GLU 14 HB1 GLU 14 14.686 5.216 -8.423 78 HG2 GLU 14 HG2 GLU 14 15.272 2.828 -8.095 79 HG3 GLU 14 HG1 GLU 14 13.693 2.367 -8.728 80 H GLN 15 HN GLN 15 13.733 2.175 -5.707 81 HA GLN 15 HA GLN 15 11.635 0.668 -6.861 82 HB2 GLN 15 HB2 GLN 15 13.533 0.334 -4.604 83 HB3 GLN 15 HB1 GLN 15 12.063 -0.639 -4.544 84 HG2 GLN 15 HG2 GLN 15 12.515 -1.507 -6.790 85 HG3 GLN 15 HG1 GLN 15 13.950 -0.492 -6.913 86 HE21 GLN 15 HE21 GLN 15 15.698 -1.923 -6.767 87 HE22 GLN 15 HE22 GLN 15 15.875 -3.101 -5.557 88 H DBB 16 HN DBB 16 11.785 2.810 -4.104 89 HA DBB 16 HA DBB 16 9.080 2.043 -3.258 90 HB2 DBB 16 HB2 DBB 16 8.258 4.337 -3.399 91 HG1 DBB 16 HG1 DBB 16 7.903 4.366 -5.711 92 HG2 DBB 16 HG2 DBB 16 8.323 2.680 -5.410 93 HG3 DBB 16 HG3 DBB 16 9.530 3.785 -6.067 94 H GLY 17 HN GLY 17 9.283 1.685 -1.146 95 HA2 GLY 17 HA2 GLY 17 9.675 3.482 0.832 96 HA3 GLY 17 HA1 GLY 17 10.154 1.797 1.007 97 H DBU 18 HN DHB 18 11.565 3.628 2.420 98 HB DBU 18 HB DHB 18 15.579 3.690 2.363 99 HG1 DBU 18 HG1 DHB 18 15.544 1.402 2.893 100 HG2 DBU 18 HG2 DHB 18 13.911 1.631 3.516 101 HG3 DBU 18 HG3 DHB 18 14.155 1.187 1.827 102 H CYS 19 HN CYS 19 13.588 4.983 -0.460 103 HA CYS 19 HA CYS 19 14.228 7.690 0.519 104 HB2 CYS 19 HB2 CYS 19 14.956 8.122 -1.811 105 HB3 CYS 19 HB1 CYS 19 15.833 6.780 -1.077 106 H CYS 20 HN CYS 20 12.217 6.136 -1.999 107 HA CYS 20 HA CYS 20 10.752 8.036 -3.078 108 HB2 CYS 20 HB2 CYS 20 9.650 5.591 -1.686 109 HB3 CYS 20 HB1 CYS 20 8.667 6.638 -2.711 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 15.347 4.914 7.135 2 H2 GLY 1 HT2 GLY 1 13.671 4.787 6.892 3 H3 GLY 1 HT3 GLY 1 14.503 6.177 6.383 4 HA2 GLY 1 HA2 GLY 1 13.862 4.407 4.644 5 HA3 GLY 1 HA1 GLY 1 15.467 5.138 4.586 6 H ARG 2 HN ARG 2 16.892 3.597 4.060 7 HA ARG 2 HA ARG 2 18.054 1.618 4.056 8 HB2 ARG 2 HB2 ARG 2 18.322 2.342 6.467 9 HB3 ARG 2 HB1 ARG 2 16.984 1.259 6.857 10 HG2 ARG 2 HG2 ARG 2 18.282 -0.581 6.677 11 HG3 ARG 2 HG1 ARG 2 19.014 -0.018 5.175 12 HD2 ARG 2 HD2 ARG 2 20.743 -0.167 6.876 13 HD3 ARG 2 HD1 ARG 2 20.449 1.529 6.511 14 HE ARG 2 HE ARG 2 18.847 0.623 8.711 15 HH11 ARG 2 HH11 ARG 2 22.006 1.648 7.733 16 HH12 ARG 2 HH12 ARG 2 22.449 2.240 9.300 17 HH21 ARG 2 HH21 ARG 2 19.422 1.397 10.767 18 HH22 ARG 2 HH22 ARG 2 20.986 2.098 11.016 19 H ILE 3 HN ILE 3 15.510 0.543 6.269 20 HA ILE 3 HA ILE 3 14.595 -1.355 4.182 21 HB ILE 3 HB ILE 3 14.854 -1.825 7.161 22 HG12 ILE 3 HG12 ILE 3 16.199 -3.597 5.229 23 HG13 ILE 3 HG11 ILE 3 16.809 -1.942 5.216 24 HG21 ILE 3 HG21 ILE 3 14.386 -4.224 5.776 25 HG22 ILE 3 HG22 ILE 3 13.233 -3.073 5.101 26 HG23 ILE 3 HG23 ILE 3 13.256 -3.384 6.837 27 HD11 ILE 3 HD11 ILE 3 16.560 -3.743 7.643 28 HD12 ILE 3 HD12 ILE 3 17.070 -2.055 7.692 29 HD13 ILE 3 HD13 ILE 3 18.060 -3.251 6.856 30 H ASP 4 HN ASP 4 13.706 1.364 5.578 31 HA ASP 4 HA ASP 4 11.015 0.583 6.413 32 HB2 ASP 4 HB2 ASP 4 12.417 2.322 7.639 33 HB3 ASP 4 HB1 ASP 4 12.145 3.378 6.255 34 H DBU 5 HN DHB 5 9.633 0.204 4.776 35 HB DBU 5 HB DHB 5 7.960 2.441 1.764 36 HG1 DBU 5 HG1 DHB 5 8.921 4.392 3.282 37 HG2 DBU 5 HG2 DHB 5 7.252 3.919 3.599 38 HG3 DBU 5 HG3 DHB 5 8.550 3.324 4.637 39 H CYS 6 HN CYS 6 11.296 0.223 2.142 40 HA CYS 6 HA CYS 6 9.845 -1.719 0.443 41 HB2 CYS 6 HB2 CYS 6 12.253 -1.694 -0.707 42 HB3 CYS 6 HB1 CYS 6 11.026 -0.508 -1.131 43 HA PRO 7 HA PRO 7 12.073 -4.004 3.850 44 HB2 PRO 7 HB2 PRO 7 9.723 -5.778 3.424 45 HB3 PRO 7 HB1 PRO 7 10.403 -5.153 4.938 46 HG2 PRO 7 HG2 PRO 7 8.117 -4.211 3.953 47 HG3 PRO 7 HG1 PRO 7 9.282 -3.154 4.773 48 HD2 PRO 7 HD2 PRO 7 8.742 -3.440 1.836 49 HD3 PRO 7 HD1 PRO 7 9.125 -1.985 2.777 50 H ALA 8 HN ALA 8 13.406 -5.756 3.577 51 HA ALA 8 HA ALA 8 14.430 -7.565 2.571 52 HB1 ALA 8 HB1 ALA 8 12.434 -7.940 0.438 53 HB2 ALA 8 HB2 ALA 8 11.781 -8.030 2.074 54 HB3 ALA 8 HB3 ALA 8 13.090 -9.105 1.588 55 H GLY 9 HN GLY 9 13.553 -4.703 1.059 56 HA2 GLY 9 HA2 GLY 9 14.907 -5.226 -1.467 57 HA3 GLY 9 HA1 GLY 9 14.149 -3.712 -0.978 58 H GLY 10 HN GLY 10 15.861 -4.480 1.642 59 HA2 GLY 10 HA2 GLY 10 17.818 -3.697 2.569 60 HA3 GLY 10 HA1 GLY 10 18.561 -4.104 1.028 61 H GLY 11 HN GLY 11 18.501 -2.508 -0.691 62 HA2 GLY 11 HA2 GLY 11 19.383 0.011 0.016 63 HA3 GLY 11 HA1 GLY 11 18.664 -0.370 -1.549 64 H DBB 12 HN DBB 12 16.441 0.012 -1.890 65 HA DBB 12 HA DBB 12 15.046 1.533 0.215 66 HB2 DBB 12 HB2 DBB 12 14.185 -0.616 -1.355 67 HG1 DBB 12 HG1 DBB 12 13.902 0.814 -3.284 68 HG2 DBB 12 HG2 DBB 12 13.033 2.010 -2.325 69 HG3 DBB 12 HG3 DBB 12 12.304 0.435 -2.641 70 H DAL 13 HN DAL 13 16.096 1.577 -3.131 71 HA DAL 13 HA DAL 13 16.665 3.451 -4.375 72 HB1 DAL 13 HB2 DAL 13 16.381 4.618 -1.978 73 HB2 DAL 13 HB3 DAL 13 16.627 5.517 -3.469 74 H GLU 14 HN GLU 14 15.571 4.329 -6.229 75 HA GLU 14 HA GLU 14 12.943 5.066 -6.468 76 HB2 GLU 14 HB2 GLU 14 14.680 3.656 -8.509 77 HB3 GLU 14 HB1 GLU 14 13.180 4.504 -8.877 78 HG2 GLU 14 HG2 GLU 14 15.608 5.765 -7.571 79 HG3 GLU 14 HG1 GLU 14 15.176 5.930 -9.273 80 H GLN 15 HN GLN 15 14.104 1.987 -5.713 81 HA GLN 15 HA GLN 15 12.276 0.283 -6.994 82 HB2 GLN 15 HB2 GLN 15 14.336 0.028 -5.083 83 HB3 GLN 15 HB1 GLN 15 12.881 -0.624 -4.323 84 HG2 GLN 15 HG2 GLN 15 13.978 -2.409 -5.552 85 HG3 GLN 15 HG1 GLN 15 12.474 -1.994 -6.374 86 HE21 GLN 15 HE21 GLN 15 12.938 -2.255 -8.578 87 HE22 GLN 15 HE22 GLN 15 14.274 -1.565 -9.365 88 H DBB 16 HN DBB 16 11.913 2.476 -4.338 89 HA DBB 16 HA DBB 16 9.361 1.281 -3.521 90 HB2 DBB 16 HB2 DBB 16 8.106 2.747 -4.694 91 HG1 DBB 16 HG1 DBB 16 9.323 4.548 -6.073 92 HG2 DBB 16 HG2 DBB 16 9.699 2.862 -6.432 93 HG3 DBB 16 HG3 DBB 16 10.812 3.827 -5.464 94 H GLY 17 HN GLY 17 9.152 1.398 -1.395 95 HA2 GLY 17 HA2 GLY 17 9.458 3.497 0.312 96 HA3 GLY 17 HA1 GLY 17 9.726 1.830 0.801 97 H DBU 18 HN DHB 18 11.264 3.084 2.288 98 HB DBU 18 HB DHB 18 15.229 2.922 2.563 99 HG1 DBU 18 HG1 DHB 18 14.193 1.006 3.889 100 HG2 DBU 18 HG2 DHB 18 12.956 0.849 2.643 101 HG3 DBU 18 HG3 DHB 18 14.635 0.449 2.274 102 H CYS 19 HN CYS 19 12.757 4.520 -0.345 103 HA CYS 19 HA CYS 19 13.679 7.159 0.571 104 HB2 CYS 19 HB2 CYS 19 15.035 7.514 -1.373 105 HB3 CYS 19 HB1 CYS 19 15.537 5.976 -0.672 106 H CYS 20 HN CYS 20 11.963 5.247 -1.870 107 HA CYS 20 HA CYS 20 10.704 7.537 -3.077 108 HB2 CYS 20 HB2 CYS 20 10.104 6.061 -4.659 109 HB3 CYS 20 HB1 CYS 20 11.054 4.869 -3.792 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 17.782 4.211 8.144 2 H2 GLY 1 HT2 GLY 1 16.152 4.102 8.610 3 H3 GLY 1 HT3 GLY 1 16.561 4.217 6.964 4 HA2 GLY 1 HA2 GLY 1 17.747 1.992 8.407 5 HA3 GLY 1 HA1 GLY 1 16.002 1.916 8.164 6 H ARG 2 HN ARG 2 18.380 0.462 6.924 7 HA ARG 2 HA ARG 2 18.621 1.225 4.212 8 HB2 ARG 2 HB2 ARG 2 18.995 -1.446 5.581 9 HB3 ARG 2 HB1 ARG 2 19.402 -1.145 3.892 10 HG2 ARG 2 HG2 ARG 2 20.929 0.673 4.592 11 HG3 ARG 2 HG1 ARG 2 20.545 0.334 6.280 12 HD2 ARG 2 HD2 ARG 2 21.752 -1.668 4.350 13 HD3 ARG 2 HD1 ARG 2 22.666 -0.753 5.547 14 HE ARG 2 HE ARG 2 20.868 -2.988 6.071 15 HH11 ARG 2 HH11 ARG 2 22.670 -0.289 7.271 16 HH12 ARG 2 HH12 ARG 2 22.721 -0.870 8.902 17 HH21 ARG 2 HH21 ARG 2 20.931 -3.759 8.207 18 HH22 ARG 2 HH22 ARG 2 21.736 -2.835 9.431 19 H ILE 3 HN ILE 3 16.354 -0.880 5.909 20 HA ILE 3 HA ILE 3 14.910 -1.325 3.372 21 HB ILE 3 HB ILE 3 14.082 -3.321 4.244 22 HG12 ILE 3 HG12 ILE 3 13.237 -2.227 6.347 23 HG13 ILE 3 HG11 ILE 3 13.927 -3.828 6.615 24 HG21 ILE 3 HG21 ILE 3 16.830 -2.812 5.401 25 HG22 ILE 3 HG22 ILE 3 16.419 -3.674 3.919 26 HG23 ILE 3 HG23 ILE 3 16.049 -4.391 5.487 27 HD11 ILE 3 HD11 ILE 3 15.102 -1.137 7.276 28 HD12 ILE 3 HD12 ILE 3 16.150 -2.536 7.051 29 HD13 ILE 3 HD13 ILE 3 14.923 -2.550 8.316 30 H ASP 4 HN ASP 4 14.912 0.886 5.665 31 HA ASP 4 HA ASP 4 12.450 1.010 6.903 32 HB2 ASP 4 HB2 ASP 4 14.326 2.648 7.178 33 HB3 ASP 4 HB1 ASP 4 13.865 3.365 5.634 34 H DBU 5 HN DHB 5 10.483 0.729 6.048 35 HB DBU 5 HB DHB 5 7.786 2.229 3.547 36 HG1 DBU 5 HG1 DHB 5 8.829 4.115 5.311 37 HG2 DBU 5 HG2 DHB 5 7.194 3.475 5.485 38 HG3 DBU 5 HG3 DHB 5 8.519 2.771 6.412 39 H CYS 6 HN CYS 6 11.736 0.850 3.068 40 HA CYS 6 HA CYS 6 10.722 -0.248 0.678 41 HB2 CYS 6 HB2 CYS 6 12.976 0.559 0.711 42 HB3 CYS 6 HB1 CYS 6 13.408 -0.521 2.036 43 HA PRO 7 HA PRO 7 9.463 -4.257 2.007 44 HB2 PRO 7 HB2 PRO 7 9.559 -5.535 -0.417 45 HB3 PRO 7 HB1 PRO 7 8.271 -4.407 0.048 46 HG2 PRO 7 HG2 PRO 7 10.650 -3.957 -1.680 47 HG3 PRO 7 HG1 PRO 7 8.994 -3.352 -1.853 48 HD2 PRO 7 HD2 PRO 7 11.031 -1.813 -0.877 49 HD3 PRO 7 HD1 PRO 7 9.332 -1.590 -0.405 50 H ALA 8 HN ALA 8 11.594 -4.417 3.191 51 HA ALA 8 HA ALA 8 13.352 -5.766 3.815 52 HB1 ALA 8 HB1 ALA 8 13.521 -7.570 1.585 53 HB2 ALA 8 HB2 ALA 8 11.832 -7.379 2.058 54 HB3 ALA 8 HB3 ALA 8 13.026 -7.907 3.244 55 H GLY 9 HN GLY 9 13.277 -5.370 0.268 56 HA2 GLY 9 HA2 GLY 9 15.802 -5.505 -0.544 57 HA3 GLY 9 HA1 GLY 9 14.794 -4.150 -1.041 58 H GLY 10 HN GLY 10 17.732 -4.824 0.125 59 HA2 GLY 10 HA2 GLY 10 18.104 -3.093 2.322 60 HA3 GLY 10 HA1 GLY 10 19.367 -3.627 1.217 61 H GLY 11 HN GLY 11 18.439 -2.561 -1.178 62 HA2 GLY 11 HA2 GLY 11 19.351 0.118 -1.010 63 HA3 GLY 11 HA1 GLY 11 18.614 -0.631 -2.423 64 H DBB 12 HN DBB 12 16.114 -1.296 -1.368 65 HA DBB 12 HA DBB 12 14.688 0.539 0.076 66 HB2 DBB 12 HB2 DBB 12 13.983 -1.203 -2.262 67 HG1 DBB 12 HG1 DBB 12 12.045 0.725 -0.962 68 HG2 DBB 12 HG2 DBB 12 11.726 -0.377 -2.302 69 HG3 DBB 12 HG3 DBB 12 12.794 1.006 -2.534 70 H DAL 13 HN DAL 13 16.244 1.035 -2.937 71 HA DAL 13 HA DAL 13 16.364 2.831 -4.363 72 HB1 DAL 13 HB2 DAL 13 15.766 4.008 -1.695 73 HB2 DAL 13 HB3 DAL 13 17.148 4.265 -2.756 74 H GLU 14 HN GLU 14 15.057 4.121 -5.794 75 HA GLU 14 HA GLU 14 12.458 4.945 -5.489 76 HB2 GLU 14 HB2 GLU 14 13.790 3.828 -7.967 77 HB3 GLU 14 HB1 GLU 14 12.253 4.693 -7.969 78 HG2 GLU 14 HG2 GLU 14 14.860 5.815 -6.902 79 HG3 GLU 14 HG1 GLU 14 14.185 6.181 -8.489 80 H GLN 15 HN GLN 15 13.592 1.743 -5.492 81 HA GLN 15 HA GLN 15 11.471 0.309 -6.620 82 HB2 GLN 15 HB2 GLN 15 13.332 -0.361 -4.333 83 HB3 GLN 15 HB1 GLN 15 12.183 -1.513 -5.016 84 HG2 GLN 15 HG2 GLN 15 13.210 -1.225 -7.241 85 HG3 GLN 15 HG1 GLN 15 14.359 -0.074 -6.562 86 HE21 GLN 15 HE21 GLN 15 16.338 -1.171 -6.515 87 HE22 GLN 15 HE22 GLN 15 16.561 -2.724 -5.867 88 H DBB 16 HN DBB 16 11.753 1.949 -3.547 89 HA DBB 16 HA DBB 16 9.472 0.699 -2.329 90 HB2 DBB 16 HB2 DBB 16 8.159 2.952 -2.382 91 HG1 DBB 16 HG1 DBB 16 6.803 1.964 -3.932 92 HG2 DBB 16 HG2 DBB 16 7.900 0.605 -3.683 93 HG3 DBB 16 HG3 DBB 16 8.124 1.679 -5.065 94 H GLY 17 HN GLY 17 8.662 2.319 -0.484 95 HA2 GLY 17 HA2 GLY 17 9.362 4.031 1.086 96 HA3 GLY 17 HA1 GLY 17 10.039 2.504 1.644 97 H DBU 18 HN DHB 18 12.139 2.594 2.144 98 HB DBU 18 HB DHB 18 15.833 3.536 1.692 99 HG1 DBU 18 HG1 DHB 18 15.499 1.009 1.701 100 HG2 DBU 18 HG2 DHB 18 15.358 1.648 3.338 101 HG3 DBU 18 HG3 DHB 18 13.906 1.252 2.419 102 H CYS 19 HN CYS 19 14.021 4.414 -0.965 103 HA CYS 19 HA CYS 19 14.023 7.304 -0.329 104 HB2 CYS 19 HB2 CYS 19 15.585 7.667 -2.070 105 HB3 CYS 19 HB1 CYS 19 16.184 6.253 -1.209 106 H CYS 20 HN CYS 20 12.204 4.921 -1.819 107 HA CYS 20 HA CYS 20 11.301 5.637 -4.215 108 HB2 CYS 20 HB2 CYS 20 10.112 4.411 -1.950 109 HB3 CYS 20 HB1 CYS 20 8.943 5.564 -2.591 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 8.860 3.006 9.670 2 H2 GLY 1 HT2 GLY 1 7.171 2.937 9.841 3 H3 GLY 1 HT3 GLY 1 7.861 3.686 8.481 4 HA2 GLY 1 HA2 GLY 1 8.471 0.863 9.011 5 HA3 GLY 1 HA1 GLY 1 6.916 1.289 8.294 6 H ARG 2 HN ARG 2 10.337 2.269 7.946 7 HA ARG 2 HA ARG 2 10.108 3.037 5.233 8 HB2 ARG 2 HB2 ARG 2 12.485 2.263 6.931 9 HB3 ARG 2 HB1 ARG 2 12.636 2.816 5.263 10 HG2 ARG 2 HG2 ARG 2 11.490 4.915 5.837 11 HG3 ARG 2 HG1 ARG 2 11.295 4.363 7.501 12 HD2 ARG 2 HD2 ARG 2 13.744 4.245 7.754 13 HD3 ARG 2 HD1 ARG 2 13.945 4.783 6.089 14 HE ARG 2 HE ARG 2 12.363 6.685 7.409 15 HH11 ARG 2 HH11 ARG 2 15.552 5.350 7.508 16 HH12 ARG 2 HH12 ARG 2 16.290 6.795 8.114 17 HH21 ARG 2 HH21 ARG 2 13.320 8.584 8.207 18 HH22 ARG 2 HH22 ARG 2 15.025 8.626 8.510 19 H ILE 3 HN ILE 3 10.994 -0.005 6.794 20 HA ILE 3 HA ILE 3 11.835 -1.371 4.451 21 HB ILE 3 HB ILE 3 10.723 -2.411 7.067 22 HG12 ILE 3 HG12 ILE 3 13.583 -2.332 6.078 23 HG13 ILE 3 HG11 ILE 3 12.879 -1.033 7.044 24 HG21 ILE 3 HG21 ILE 3 10.596 -3.967 5.031 25 HG22 ILE 3 HG22 ILE 3 11.499 -4.571 6.422 26 HG23 ILE 3 HG23 ILE 3 12.360 -3.924 5.023 27 HD11 ILE 3 HD11 ILE 3 14.145 -2.894 8.308 28 HD12 ILE 3 HD12 ILE 3 12.749 -3.908 7.948 29 HD13 ILE 3 HD13 ILE 3 12.551 -2.444 8.912 30 H ASP 4 HN ASP 4 8.722 -0.591 5.758 31 HA ASP 4 HA ASP 4 7.155 -2.613 4.576 32 HB2 ASP 4 HB2 ASP 4 6.292 -1.071 6.287 33 HB3 ASP 4 HB1 ASP 4 6.423 0.268 5.149 34 H DBU 5 HN DHB 5 8.186 0.574 3.353 35 HB DBU 5 HB DHB 5 7.169 1.699 -0.299 36 HG1 DBU 5 HG1 DHB 5 6.477 2.607 2.476 37 HG2 DBU 5 HG2 DHB 5 5.931 3.294 0.945 38 HG3 DBU 5 HG3 DHB 5 5.132 1.867 1.606 39 H CYS 6 HN CYS 6 10.123 -0.195 1.927 40 HA CYS 6 HA CYS 6 10.622 -1.592 -0.631 41 HB2 CYS 6 HB2 CYS 6 12.050 0.422 -0.057 42 HB3 CYS 6 HB1 CYS 6 12.684 -0.514 1.291 43 HA PRO 7 HA PRO 7 10.305 -5.062 2.321 44 HB2 PRO 7 HB2 PRO 7 10.610 -6.548 -0.237 45 HB3 PRO 7 HB1 PRO 7 9.388 -6.731 1.033 46 HG2 PRO 7 HG2 PRO 7 8.825 -5.588 -1.314 47 HG3 PRO 7 HG1 PRO 7 8.074 -5.052 0.198 48 HD2 PRO 7 HD2 PRO 7 10.235 -3.743 -1.398 49 HD3 PRO 7 HD1 PRO 7 8.951 -3.005 -0.416 50 H ALA 8 HN ALA 8 12.047 -5.795 3.383 51 HA ALA 8 HA ALA 8 14.373 -5.901 3.780 52 HB1 ALA 8 HB1 ALA 8 13.140 -8.203 2.920 53 HB2 ALA 8 HB2 ALA 8 14.763 -8.116 3.603 54 HB3 ALA 8 HB3 ALA 8 14.541 -8.106 1.854 55 H GLY 9 HN GLY 9 13.977 -3.925 1.797 56 HA2 GLY 9 HA2 GLY 9 16.136 -4.503 -0.140 57 HA3 GLY 9 HA1 GLY 9 14.863 -3.310 -0.385 58 H GLY 10 HN GLY 10 18.052 -3.675 0.403 59 HA2 GLY 10 HA2 GLY 10 18.448 -1.765 2.456 60 HA3 GLY 10 HA1 GLY 10 19.661 -2.292 1.293 61 H GLY 11 HN GLY 11 18.657 -1.483 -1.098 62 HA2 GLY 11 HA2 GLY 11 19.261 1.286 -1.148 63 HA3 GLY 11 HA1 GLY 11 18.591 0.353 -2.489 64 H DBB 12 HN DBB 12 16.219 -0.479 -1.566 65 HA DBB 12 HA DBB 12 14.479 0.979 -0.142 66 HB2 DBB 12 HB2 DBB 12 14.218 -0.384 -2.797 67 HG1 DBB 12 HG1 DBB 12 12.336 1.581 -1.587 68 HG2 DBB 12 HG2 DBB 12 11.641 0.123 -2.296 69 HG3 DBB 12 HG3 DBB 12 12.635 1.198 -3.280 70 H DAL 13 HN DAL 13 16.102 1.997 -3.037 71 HA DAL 13 HA DAL 13 16.427 4.238 -3.683 72 HB1 DAL 13 HB2 DAL 13 14.989 5.969 -2.875 73 HB2 DAL 13 HB3 DAL 13 13.837 4.786 -2.272 74 H GLU 14 HN GLU 14 15.883 2.871 -5.724 75 HA GLU 14 HA GLU 14 13.968 4.271 -7.271 76 HB2 GLU 14 HB2 GLU 14 15.988 3.185 -8.217 77 HB3 GLU 14 HB1 GLU 14 15.276 1.609 -7.868 78 HG2 GLU 14 HG2 GLU 14 13.365 2.126 -9.317 79 HG3 GLU 14 HG1 GLU 14 14.027 3.728 -9.638 80 H GLN 15 HN GLN 15 13.894 1.247 -5.505 81 HA GLN 15 HA GLN 15 11.517 0.186 -6.591 82 HB2 GLN 15 HB2 GLN 15 13.286 -0.350 -4.332 83 HB3 GLN 15 HB1 GLN 15 11.593 -0.683 -3.958 84 HG2 GLN 15 HG2 GLN 15 13.033 -1.714 -6.417 85 HG3 GLN 15 HG1 GLN 15 12.791 -2.650 -4.944 86 HE21 GLN 15 HE21 GLN 15 11.593 -2.674 -7.895 87 HE22 GLN 15 HE22 GLN 15 9.937 -2.901 -7.597 88 H DBB 16 HN DBB 16 12.115 2.629 -4.144 89 HA DBB 16 HA DBB 16 9.193 2.870 -3.733 90 HB2 DBB 16 HB2 DBB 16 9.265 5.172 -4.019 91 HG1 DBB 16 HG1 DBB 16 9.998 3.919 -6.098 92 HG2 DBB 16 HG2 DBB 16 11.657 4.346 -5.678 93 HG3 DBB 16 HG3 DBB 16 10.483 5.613 -6.036 94 H GLY 17 HN GLY 17 8.514 2.873 -1.687 95 HA2 GLY 17 HA2 GLY 17 8.690 3.661 0.600 96 HA3 GLY 17 HA1 GLY 17 9.371 2.038 0.549 97 H DBU 18 HN DHB 18 11.135 1.978 1.806 98 HB DBU 18 HB DHB 18 14.659 2.880 2.967 99 HG1 DBU 18 HG1 DHB 18 14.080 0.654 3.789 100 HG2 DBU 18 HG2 DHB 18 12.638 0.606 2.777 101 HG3 DBU 18 HG3 DHB 18 14.234 0.418 2.048 102 H CYS 19 HN CYS 19 14.359 4.292 0.506 103 HA CYS 19 HA CYS 19 14.698 6.826 1.680 104 HB2 CYS 19 HB2 CYS 19 15.044 7.094 -1.137 105 HB3 CYS 19 HB1 CYS 19 16.289 6.934 0.089 106 H CYS 20 HN CYS 20 12.451 5.672 -0.804 107 HA CYS 20 HA CYS 20 11.349 8.161 -1.524 108 HB2 CYS 20 HB2 CYS 20 9.840 5.548 -1.401 109 HB3 CYS 20 HB1 CYS 20 9.542 6.915 -2.473 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 6.479 4.780 7.801 2 H2 GLY 1 HT2 GLY 1 7.872 4.088 8.484 3 H3 GLY 1 HT3 GLY 1 7.029 3.270 7.258 4 HA2 GLY 1 HA2 GLY 1 7.552 5.133 5.725 5 HA3 GLY 1 HA1 GLY 1 8.587 5.781 6.997 6 H ARG 2 HN ARG 2 10.100 4.022 7.974 7 HA ARG 2 HA ARG 2 11.835 3.140 5.910 8 HB2 ARG 2 HB2 ARG 2 11.732 2.507 8.865 9 HB3 ARG 2 HB1 ARG 2 13.024 1.964 7.793 10 HG2 ARG 2 HG2 ARG 2 13.536 4.296 7.204 11 HG3 ARG 2 HG1 ARG 2 12.220 4.856 8.238 12 HD2 ARG 2 HD2 ARG 2 14.554 3.209 9.241 13 HD3 ARG 2 HD1 ARG 2 14.498 4.968 9.313 14 HE ARG 2 HE ARG 2 12.151 3.979 10.499 15 HH11 ARG 2 HH11 ARG 2 15.579 3.988 10.962 16 HH12 ARG 2 HH12 ARG 2 15.486 3.886 12.689 17 HH21 ARG 2 HH21 ARG 2 12.020 3.845 12.762 18 HH22 ARG 2 HH22 ARG 2 13.470 3.806 13.708 19 H ILE 3 HN ILE 3 12.427 0.989 5.345 20 HA ILE 3 HA ILE 3 11.847 -1.084 4.520 21 HB ILE 3 HB ILE 3 10.932 -1.284 7.396 22 HG12 ILE 3 HG12 ILE 3 13.288 -2.781 6.575 23 HG13 ILE 3 HG11 ILE 3 13.477 -1.060 6.232 24 HG21 ILE 3 HG21 ILE 3 11.582 -3.824 6.554 25 HG22 ILE 3 HG22 ILE 3 10.757 -3.167 5.140 26 HG23 ILE 3 HG23 ILE 3 9.938 -3.203 6.702 27 HD11 ILE 3 HD11 ILE 3 13.259 -0.450 8.473 28 HD12 ILE 3 HD12 ILE 3 14.117 -1.985 8.611 29 HD13 ILE 3 HD13 ILE 3 12.378 -1.921 8.891 30 H ASP 4 HN ASP 4 9.690 1.177 4.733 31 HA ASP 4 HA ASP 4 7.284 -0.499 4.515 32 HB2 ASP 4 HB2 ASP 4 7.184 1.510 5.959 33 HB3 ASP 4 HB1 ASP 4 7.552 2.516 4.560 34 H DBU 5 HN DHB 5 7.354 -1.416 2.494 35 HB DBU 5 HB DHB 5 6.434 -0.046 -1.255 36 HG1 DBU 5 HG1 DHB 5 5.531 1.749 0.784 37 HG2 DBU 5 HG2 DHB 5 4.504 1.041 -0.463 38 HG3 DBU 5 HG3 DHB 5 4.675 0.238 1.099 39 H CYS 6 HN CYS 6 9.680 -0.811 1.519 40 HA CYS 6 HA CYS 6 10.537 -2.607 -0.667 41 HB2 CYS 6 HB2 CYS 6 11.377 -0.178 -0.819 42 HB3 CYS 6 HB1 CYS 6 12.373 -0.572 0.581 43 HA PRO 7 HA PRO 7 11.324 -4.234 3.713 44 HB2 PRO 7 HB2 PRO 7 10.048 -6.623 2.497 45 HB3 PRO 7 HB1 PRO 7 9.756 -5.866 4.075 46 HG2 PRO 7 HG2 PRO 7 7.997 -5.648 2.096 47 HG3 PRO 7 HG1 PRO 7 8.308 -4.306 3.211 48 HD2 PRO 7 HD2 PRO 7 9.266 -4.671 0.390 49 HD3 PRO 7 HD1 PRO 7 8.724 -3.191 1.215 50 H ALA 8 HN ALA 8 13.136 -5.403 4.198 51 HA ALA 8 HA ALA 8 15.236 -6.276 3.736 52 HB1 ALA 8 HB1 ALA 8 13.198 -8.221 2.719 53 HB2 ALA 8 HB2 ALA 8 14.281 -8.357 4.104 54 HB3 ALA 8 HB3 ALA 8 14.910 -8.559 2.468 55 H GLY 9 HN GLY 9 13.935 -4.482 1.603 56 HA2 GLY 9 HA2 GLY 9 15.001 -5.445 -0.901 57 HA3 GLY 9 HA1 GLY 9 14.295 -3.859 -0.603 58 H GLY 10 HN GLY 10 16.097 -3.416 1.722 59 HA2 GLY 10 HA2 GLY 10 18.324 -2.844 2.186 60 HA3 GLY 10 HA1 GLY 10 18.765 -3.321 0.549 61 H GLY 11 HN GLY 11 18.518 -1.844 -1.158 62 HA2 GLY 11 HA2 GLY 11 18.972 0.874 -0.531 63 HA3 GLY 11 HA1 GLY 11 18.608 0.241 -2.134 64 H DBB 12 HN DBB 12 16.066 -0.883 -1.533 65 HA DBB 12 HA DBB 12 14.118 0.396 -0.262 66 HB2 DBB 12 HB2 DBB 12 14.229 -0.608 -3.081 67 HG1 DBB 12 HG1 DBB 12 11.647 -0.096 -2.987 68 HG2 DBB 12 HG2 DBB 12 12.775 1.141 -3.540 69 HG3 DBB 12 HG3 DBB 12 12.146 1.194 -1.894 70 H DAL 13 HN DAL 13 15.954 1.777 -2.916 71 HA DAL 13 HA DAL 13 16.332 4.050 -3.306 72 HB1 DAL 13 HB2 DAL 13 13.941 5.085 -1.973 73 HB2 DAL 13 HB3 DAL 13 15.001 4.177 -0.899 74 H GLU 14 HN GLU 14 15.731 3.669 -5.533 75 HA GLU 14 HA GLU 14 13.452 5.104 -6.428 76 HB2 GLU 14 HB2 GLU 14 15.310 3.202 -7.875 77 HB3 GLU 14 HB1 GLU 14 14.086 4.192 -8.669 78 HG2 GLU 14 HG2 GLU 14 16.331 5.275 -6.945 79 HG3 GLU 14 HG1 GLU 14 16.331 5.265 -8.707 80 H GLN 15 HN GLN 15 13.950 1.831 -5.474 81 HA GLN 15 HA GLN 15 11.910 0.572 -6.980 82 HB2 GLN 15 HB2 GLN 15 13.607 -0.087 -4.679 83 HB3 GLN 15 HB1 GLN 15 12.022 -0.863 -4.642 84 HG2 GLN 15 HG2 GLN 15 13.897 -0.906 -7.022 85 HG3 GLN 15 HG1 GLN 15 13.735 -2.218 -5.856 86 HE21 GLN 15 HE21 GLN 15 12.794 -1.521 -8.889 87 HE22 GLN 15 HE22 GLN 15 11.253 -2.236 -8.912 88 H DBB 16 HN DBB 16 11.887 2.452 -4.028 89 HA DBB 16 HA DBB 16 9.105 1.776 -3.459 90 HB2 DBB 16 HB2 DBB 16 8.555 4.297 -3.482 91 HG1 DBB 16 HG1 DBB 16 8.976 3.562 -6.287 92 HG2 DBB 16 HG2 DBB 16 7.473 3.838 -5.408 93 HG3 DBB 16 HG3 DBB 16 8.264 2.263 -5.330 94 H GLY 17 HN GLY 17 9.010 1.527 -1.329 95 HA2 GLY 17 HA2 GLY 17 9.557 3.466 0.573 96 HA3 GLY 17 HA1 GLY 17 9.470 1.741 0.919 97 H DBU 18 HN DHB 18 11.326 4.117 1.704 98 HB DBU 18 HB DHB 18 15.189 2.735 2.295 99 HG1 DBU 18 HG1 DHB 18 12.858 1.079 3.026 100 HG2 DBU 18 HG2 DHB 18 13.485 0.591 1.452 101 HG3 DBU 18 HG3 DHB 18 14.534 0.550 2.868 102 H CYS 19 HN CYS 19 13.024 4.904 -0.431 103 HA CYS 19 HA CYS 19 13.640 7.469 0.602 104 HB2 CYS 19 HB2 CYS 19 15.840 7.839 -0.118 105 HB3 CYS 19 HB1 CYS 19 15.919 6.238 0.615 106 H CYS 20 HN CYS 20 11.848 5.953 -1.254 107 HA CYS 20 HA CYS 20 12.298 6.678 -3.930 108 HB2 CYS 20 HB2 CYS 20 10.149 5.558 -2.369 109 HB3 CYS 20 HB1 CYS 20 9.516 6.757 -3.497 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 15.638 -0.241 9.960 2 H2 GLY 1 HT2 GLY 1 15.139 0.556 11.374 3 H3 GLY 1 HT3 GLY 1 15.982 1.406 10.168 4 HA2 GLY 1 HA2 GLY 1 13.299 0.186 9.807 5 HA3 GLY 1 HA1 GLY 1 13.582 1.891 10.160 6 H ARG 2 HN ARG 2 16.094 0.568 8.345 7 HA ARG 2 HA ARG 2 15.397 2.136 6.031 8 HB2 ARG 2 HB2 ARG 2 17.697 0.303 6.702 9 HB3 ARG 2 HB1 ARG 2 17.525 1.046 5.112 10 HG2 ARG 2 HG2 ARG 2 17.514 3.277 6.123 11 HG3 ARG 2 HG1 ARG 2 17.610 2.566 7.735 12 HD2 ARG 2 HD2 ARG 2 19.686 2.123 5.577 13 HD3 ARG 2 HD1 ARG 2 19.823 3.355 6.827 14 HE ARG 2 HE ARG 2 20.138 0.484 7.177 15 HH11 ARG 2 HH11 ARG 2 19.569 3.581 8.612 16 HH12 ARG 2 HH12 ARG 2 20.115 3.107 10.185 17 HH21 ARG 2 HH21 ARG 2 20.856 -0.145 9.237 18 HH22 ARG 2 HH22 ARG 2 20.844 0.996 10.539 19 H ILE 3 HN ILE 3 13.810 -0.343 6.902 20 HA ILE 3 HA ILE 3 13.593 -1.470 4.197 21 HB ILE 3 HB ILE 3 13.782 -3.147 6.712 22 HG12 ILE 3 HG12 ILE 3 15.657 -3.671 4.530 23 HG13 ILE 3 HG11 ILE 3 15.831 -2.040 5.183 24 HG21 ILE 3 HG21 ILE 3 12.316 -4.315 5.312 25 HG22 ILE 3 HG22 ILE 3 13.883 -4.958 4.820 26 HG23 ILE 3 HG23 ILE 3 13.091 -3.722 3.842 27 HD11 ILE 3 HD11 ILE 3 17.251 -3.406 6.523 28 HD12 ILE 3 HD12 ILE 3 16.025 -4.666 6.667 29 HD13 ILE 3 HD13 ILE 3 15.811 -3.127 7.502 30 H ASP 4 HN ASP 4 12.149 0.029 6.709 31 HA ASP 4 HA ASP 4 9.710 -1.383 7.032 32 HB2 ASP 4 HB2 ASP 4 10.634 1.414 7.571 33 HB3 ASP 4 HB1 ASP 4 8.913 1.045 7.657 34 H DBU 5 HN DHB 5 10.785 1.102 4.753 35 HB DBU 5 HB DHB 5 8.179 2.574 2.136 36 HG1 DBU 5 HG1 DHB 5 8.547 4.500 3.536 37 HG2 DBU 5 HG2 DHB 5 7.610 3.490 4.637 38 HG3 DBU 5 HG3 DHB 5 9.370 3.533 4.759 39 H CYS 6 HN CYS 6 11.238 0.430 2.050 40 HA CYS 6 HA CYS 6 9.689 -1.385 0.330 41 HB2 CYS 6 HB2 CYS 6 11.972 -1.456 -0.906 42 HB3 CYS 6 HB1 CYS 6 10.998 0.009 -1.022 43 HA PRO 7 HA PRO 7 11.394 -4.301 3.415 44 HB2 PRO 7 HB2 PRO 7 9.587 -6.279 2.750 45 HB3 PRO 7 HB1 PRO 7 9.279 -5.002 3.942 46 HG2 PRO 7 HG2 PRO 7 8.429 -5.175 1.092 47 HG3 PRO 7 HG1 PRO 7 7.525 -4.610 2.507 48 HD2 PRO 7 HD2 PRO 7 8.640 -2.871 0.754 49 HD3 PRO 7 HD1 PRO 7 8.554 -2.511 2.492 50 H ALA 8 HN ALA 8 12.887 -5.907 3.113 51 HA ALA 8 HA ALA 8 14.354 -7.293 2.016 52 HB1 ALA 8 HB1 ALA 8 13.322 -9.035 1.018 53 HB2 ALA 8 HB2 ALA 8 12.538 -8.000 -0.176 54 HB3 ALA 8 HB3 ALA 8 11.823 -8.199 1.425 55 H GLY 9 HN GLY 9 13.363 -4.463 0.835 56 HA2 GLY 9 HA2 GLY 9 14.551 -4.676 -1.830 57 HA3 GLY 9 HA1 GLY 9 13.744 -3.263 -1.156 58 H GLY 10 HN GLY 10 15.786 -4.460 1.163 59 HA2 GLY 10 HA2 GLY 10 17.675 -3.532 2.123 60 HA3 GLY 10 HA1 GLY 10 18.369 -3.824 0.531 61 H GLY 11 HN GLY 11 18.963 -2.117 -0.677 62 HA2 GLY 11 HA2 GLY 11 19.490 0.364 0.115 63 HA3 GLY 11 HA1 GLY 11 18.899 0.074 -1.519 64 H DBB 12 HN DBB 12 16.508 0.050 -1.796 65 HA DBB 12 HA DBB 12 15.087 1.684 0.202 66 HB2 DBB 12 HB2 DBB 12 14.330 -0.587 -1.321 67 HG1 DBB 12 HG1 DBB 12 13.881 1.246 -3.071 68 HG2 DBB 12 HG2 DBB 12 12.581 1.776 -2.002 69 HG3 DBB 12 HG3 DBB 12 12.550 0.153 -2.690 70 H DAL 13 HN DAL 13 16.136 1.602 -3.142 71 HA DAL 13 HA DAL 13 16.454 3.368 -4.607 72 HB1 DAL 13 HB2 DAL 13 16.348 4.675 -2.208 73 HB2 DAL 13 HB3 DAL 13 16.579 5.466 -3.767 74 H GLU 14 HN GLU 14 15.131 4.253 -6.299 75 HA GLU 14 HA GLU 14 12.465 4.849 -6.305 76 HB2 GLU 14 HB2 GLU 14 14.083 3.435 -8.433 77 HB3 GLU 14 HB1 GLU 14 12.455 4.059 -8.699 78 HG2 GLU 14 HG2 GLU 14 13.718 5.877 -9.389 79 HG3 GLU 14 HG1 GLU 14 13.476 6.276 -7.689 80 H GLN 15 HN GLN 15 13.863 1.806 -5.673 81 HA GLN 15 HA GLN 15 11.882 0.034 -6.580 82 HB2 GLN 15 HB2 GLN 15 13.812 -0.090 -4.264 83 HB3 GLN 15 HB1 GLN 15 12.714 -1.415 -4.647 84 HG2 GLN 15 HG2 GLN 15 13.644 -1.573 -6.906 85 HG3 GLN 15 HG1 GLN 15 14.699 -0.197 -6.587 86 HE21 GLN 15 HE21 GLN 15 15.300 -3.177 -7.138 87 HE22 GLN 15 HE22 GLN 15 16.334 -3.620 -5.867 88 H DBB 16 HN DBB 16 11.834 2.355 -4.049 89 HA DBB 16 HA DBB 16 9.521 1.093 -2.749 90 HB2 DBB 16 HB2 DBB 16 8.222 3.207 -2.944 91 HG1 DBB 16 HG1 DBB 16 8.354 2.912 -5.704 92 HG2 DBB 16 HG2 DBB 16 7.347 1.968 -4.607 93 HG3 DBB 16 HG3 DBB 16 8.931 1.363 -5.093 94 H GLY 17 HN GLY 17 9.438 1.470 -0.603 95 HA2 GLY 17 HA2 GLY 17 10.012 3.652 0.884 96 HA3 GLY 17 HA1 GLY 17 10.348 2.024 1.464 97 H DBU 18 HN DHB 18 11.975 3.810 2.501 98 HB DBU 18 HB DHB 18 15.973 3.568 2.325 99 HG1 DBU 18 HG1 DHB 18 13.836 1.404 2.718 100 HG2 DBU 18 HG2 DHB 18 15.569 1.130 2.539 101 HG3 DBU 18 HG3 DHB 18 14.938 1.852 4.019 102 H CYS 19 HN CYS 19 12.950 4.892 -0.290 103 HA CYS 19 HA CYS 19 13.944 7.606 0.176 104 HB2 CYS 19 HB2 CYS 19 15.064 7.772 -1.944 105 HB3 CYS 19 HB1 CYS 19 15.714 6.359 -1.113 106 H CYS 20 HN CYS 20 12.086 5.413 -1.925 107 HA CYS 20 HA CYS 20 10.735 6.893 -3.651 108 HB2 CYS 20 HB2 CYS 20 9.832 4.770 -1.792 109 HB3 CYS 20 HB1 CYS 20 8.561 5.713 -2.569
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