NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
626721 | 6bvy | 30383 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 0.078 2.621 -3.915 2 HA CYS 1 HA CYS 1 0.287 0.124 -2.400 3 HB3 CYS 1 2HB CYS 1 -1.921 1.098 -1.385 4 H THR 2 H THR 2 -1.963 -0.970 -2.092 5 HA THR 2 HA THR 2 -2.857 -1.714 -4.752 6 HB THR 2 HB THR 2 -4.160 -3.476 -3.574 7 HG1 THR 2 1HG THR 2 -2.812 -2.739 -1.200 8 HG21 THR 2 1HG2 THR 2 -2.054 -4.586 -2.517 9 HG22 THR 2 2HG2 THR 2 -1.209 -3.178 -3.164 10 HG23 THR 2 3HG2 THR 2 -2.084 -4.258 -4.249 11 H ALA 3 H ALA 3 -5.029 -1.699 -5.434 12 HA ALA 3 HA ALA 3 -6.543 0.549 -4.434 13 HB1 ALA 3 1HB ALA 3 -7.050 -1.355 -6.715 14 HB2 ALA 3 2HB ALA 3 -8.072 0.028 -6.322 15 HB3 ALA 3 3HB ALA 3 -6.398 0.281 -6.814 16 H SER 4 H SER 4 -6.514 -1.078 -2.367 17 HA SER 4 HA SER 4 -9.029 -2.602 -2.429 18 HB3 SER 4 2HB SER 4 -7.533 -4.140 -1.619 19 HG SER 4 HG SER 4 -5.583 -3.414 -1.376 20 H ILE 5 H ILE 5 -10.158 -2.627 -0.215 21 HA ILE 5 HA ILE 5 -10.011 -0.028 1.127 22 HB ILE 5 HB ILE 5 -12.578 -1.189 0.035 23 HG13 ILE 5 2HG1 ILE 5 -12.642 0.782 -1.395 24 HG21 ILE 5 1HG2 ILE 5 -13.165 -0.176 2.053 25 HG22 ILE 5 2HG2 ILE 5 -11.998 1.129 1.844 26 HG23 ILE 5 3HG2 ILE 5 -13.456 1.081 0.851 27 HD11 ILE 5 1HD1 ILE 5 -11.521 2.608 -0.844 28 HD12 ILE 5 2HD1 ILE 5 -10.520 1.726 0.311 29 HD13 ILE 5 3HD1 ILE 5 -10.061 1.786 -1.391 30 HA PRO 6 HA PRO 6 -9.352 0.498 2.801 31 HB3 PRO 6 2HB PRO 6 -9.040 0.441 5.078 32 HG3 PRO 6 2HG PRO 6 -9.128 -1.564 6.250 33 HD3 PRO 6 2HD PRO 6 -11.086 -1.724 5.043 34 HA PRO 7 HA PRO 7 -6.091 -0.772 0.138 35 HB3 PRO 7 2HB PRO 7 -5.528 1.444 -0.090 36 HG3 PRO 7 2HG PRO 7 -5.621 2.898 1.722 37 HD3 PRO 7 2HD PRO 7 -7.709 1.933 1.880 38 H ILE 8 H ILE 8 -4.059 -1.841 -0.002 39 HA ILE 8 HA ILE 8 -3.060 -2.861 2.578 40 HB ILE 8 HB ILE 8 -3.092 -4.349 -0.048 41 HG13 ILE 8 2HG1 ILE 8 -5.354 -3.987 0.974 42 HG21 ILE 8 1HG2 ILE 8 -1.241 -4.986 1.388 43 HG22 ILE 8 2HG2 ILE 8 -2.349 -5.231 2.737 44 HG23 ILE 8 3HG2 ILE 8 -2.438 -6.279 1.321 45 HD11 ILE 8 1HD1 ILE 8 -4.996 -5.991 -0.359 46 HD12 ILE 8 2HD1 ILE 8 -4.408 -6.841 1.072 47 HD13 ILE 8 3HD1 ILE 8 -6.086 -6.302 0.992 48 H CYS 9 H CYS 9 -1.146 -1.975 2.987 49 HA CYS 9 HA CYS 9 0.846 -1.909 0.823 50 HB3 CYS 9 2HB CYS 9 1.520 0.267 1.300 51 HA E9V 10 HA NHI 10 3.353 -3.202 4.207 52 HB2 E9V 10 2HB NHI 10 5.339 -3.204 1.931 53 HB3 E9V 10 3HB NHI 10 5.314 -4.268 3.336 54 HD1 E9V 10 1HD NHI 10 2.866 -5.696 3.422 55 HD2 E9V 10 2HD NHI 10 4.356 -4.442 -0.248 56 HE1 E9V 10 1HE NHI 10 1.744 -7.153 1.707 57 3HN E9V 10 3HN NHI 10 4.083 -2.033 0.831 58 H1 E9V 10 H NHI 10 3.524 -0.466 1.461 59 2HN E9V 10 2HN NHI 10 2.405 -1.510 0.555 60 H DPN 11 H DPH 11 3.396 -0.214 3.457 61 HA DPN 11 HA DPH 11 6.030 0.442 4.587 62 HB2 DPN 11 2HB DPH 11 4.243 0.487 6.343 63 HB3 DPN 11 3HB DPH 11 3.437 1.753 5.422 64 HD1 DPN 11 1HD DPH 11 6.712 0.953 6.999 65 HD2 DPN 11 2HD DPH 11 3.925 3.963 5.867 66 HE1 DPN 11 1HE DPH 11 8.083 2.647 8.142 67 HE2 DPN 11 2HE DPH 11 5.290 5.661 7.009 68 HZ DPN 11 HZ DPH 11 7.372 5.004 8.150 69 HA MMO 12 HA NAR 12 5.220 3.338 1.281 70 HCB1 MMO 12 2HB NAR 12 8.190 2.781 1.258 71 HCB2 MMO 12 3HB NAR 12 7.387 4.236 0.681 72 HCG1 MMO 12 2HG NAR 12 6.665 4.741 2.962 73 HCG2 MMO 12 3HG NAR 12 7.478 3.284 3.536 74 HCD1 MMO 12 2HD NAR 12 9.586 4.160 3.182 75 HCD2 MMO 12 3HD NAR 12 9.014 5.312 1.975 76 HH21 MMO 12 1HH2 NAR 12 8.699 7.672 5.708 77 HH22 MMO 12 2HH2 NAR 12 10.412 7.918 5.749 78 HH11 MMO 12 1HH1 NAR 12 11.106 5.517 3.304 79 HC1 MMO 12 2HN NAR 12 7.275 0.313 3.121 80 HC2 MMO 12 3HN NAR 12 7.303 0.429 1.346 81 HC3 MMO 12 H NAR 12 5.968 -0.422 2.160 82 HE MMO 12 HE NAR 12 7.821 6.118 4.288 83 HH12 MMO 12 2HH1 NAR 12 11.782 6.693 4.381 84 H TRP 13 H TRP 13 4.072 2.217 -0.285 85 HA TRP 13 HA TRP 13 5.634 1.435 -2.602 86 HB3 TRP 13 2HB TRP 13 4.062 -0.662 -2.768 87 HD1 TRP 13 HD TRP 13 5.924 -1.382 0.399 88 HE1 TRP 13 1HE TRP 13 8.170 -2.515 -0.147 89 HE3 TRP 13 3HE TRP 13 6.009 -0.616 -4.655 90 HZ2 TRP 13 2HZ TRP 13 9.766 -3.017 -2.421 91 HZ3 TRP 13 3HZ TRP 13 7.932 -1.454 -5.942 92 HH2 TRP 13 HH TRP 13 9.770 -2.628 -4.846 93 H ARG 14 H ARG 14 4.298 1.177 -4.540 94 HA ARG 14 HA ARG 14 2.313 3.203 -4.698 95 HB3 ARG 14 2HB ARG 14 1.981 2.116 -7.042 96 HG3 ARG 14 2HG ARG 14 3.343 4.166 -6.582 97 HD3 ARG 14 2HD ARG 14 5.088 3.232 -5.204 98 HE ARG 14 HE ARG 14 5.859 1.175 -5.811 99 HH11 ARG 14 1HH2 ARG 14 6.843 -0.380 -7.157 100 HH12 ARG 14 2HH2 ARG 14 7.106 -0.015 -8.830 101 HH21 ARG 14 1HH1 ARG 14 5.725 3.192 -8.646 102 HH22 ARG 14 2HH1 ARG 14 6.471 2.016 -9.676 Start of MODEL 2 1 H1 CYS 1 H CYS 1 0.507 2.674 -3.508 2 HA CYS 1 HA CYS 1 0.278 0.124 -2.388 3 HB3 CYS 1 2HB CYS 1 -1.927 1.171 -1.423 4 H THR 2 H THR 2 -1.956 -0.960 -2.103 5 HA THR 2 HA THR 2 -2.870 -1.678 -4.763 6 HB THR 2 HB THR 2 -4.172 -3.444 -3.593 7 HG1 THR 2 1HG THR 2 -2.811 -2.735 -1.219 8 HG21 THR 2 1HG2 THR 2 -1.897 -4.354 -2.400 9 HG22 THR 2 2HG2 THR 2 -1.252 -3.141 -3.504 10 HG23 THR 2 3HG2 THR 2 -2.237 -4.465 -4.126 11 H ALA 3 H ALA 3 -5.040 -1.636 -5.441 12 HA ALA 3 HA ALA 3 -6.540 0.605 -4.404 13 HB1 ALA 3 1HB ALA 3 -6.224 -0.024 -6.872 14 HB2 ALA 3 2HB ALA 3 -7.479 -1.230 -6.582 15 HB3 ALA 3 3HB ALA 3 -7.828 0.483 -6.344 16 H SER 4 H SER 4 -6.515 -1.050 -2.360 17 HA SER 4 HA SER 4 -9.036 -2.563 -2.441 18 HB3 SER 4 2HB SER 4 -7.546 -4.117 -1.654 19 HG SER 4 HG SER 4 -5.667 -2.965 -1.689 20 H ILE 5 H ILE 5 -10.162 -2.612 -0.225 21 HA ILE 5 HA ILE 5 -10.003 -0.034 1.151 22 HB ILE 5 HB ILE 5 -12.583 -1.167 0.061 23 HG13 ILE 5 2HG1 ILE 5 -10.700 0.930 -0.881 24 HG21 ILE 5 1HG2 ILE 5 -13.466 -0.081 1.809 25 HG22 ILE 5 2HG2 ILE 5 -11.978 0.807 2.128 26 HG23 ILE 5 3HG2 ILE 5 -13.099 1.383 0.896 27 HD11 ILE 5 1HD1 ILE 5 -12.617 0.026 -2.804 28 HD12 ILE 5 2HD1 ILE 5 -10.862 -0.163 -2.793 29 HD13 ILE 5 3HD1 ILE 5 -11.883 -1.351 -1.982 30 HA PRO 6 HA PRO 6 -9.339 0.466 2.833 31 HB3 PRO 6 2HB PRO 6 -9.026 0.376 5.108 32 HG3 PRO 6 2HG PRO 6 -9.125 -1.646 6.253 33 HD3 PRO 6 2HD PRO 6 -11.084 -1.779 5.045 34 HA PRO 7 HA PRO 7 -6.087 -0.781 0.150 35 HB3 PRO 7 2HB PRO 7 -5.514 1.435 -0.047 36 HG3 PRO 7 2HG PRO 7 -5.600 2.864 1.785 37 HD3 PRO 7 2HD PRO 7 -7.692 1.907 1.931 38 H ILE 8 H ILE 8 -4.047 -1.844 -0.005 39 HA ILE 8 HA ILE 8 -3.057 -2.909 2.560 40 HB ILE 8 HB ILE 8 -3.094 -4.361 -0.090 41 HG13 ILE 8 2HG1 ILE 8 -5.355 -4.004 0.936 42 HG21 ILE 8 1HG2 ILE 8 -1.250 -5.064 1.285 43 HG22 ILE 8 2HG2 ILE 8 -2.307 -5.237 2.685 44 HG23 ILE 8 3HG2 ILE 8 -2.486 -6.320 1.305 45 HD11 ILE 8 1HD1 ILE 8 -4.500 -6.226 -0.252 46 HD12 ILE 8 2HD1 ILE 8 -4.883 -6.889 1.336 47 HD13 ILE 8 3HD1 ILE 8 -6.128 -6.055 0.405 48 H CYS 9 H CYS 9 -1.165 -1.965 2.967 49 HA CYS 9 HA CYS 9 0.844 -1.917 0.820 50 HB3 CYS 9 2HB CYS 9 1.508 0.267 1.289 51 HA E9V 10 HA NHI 10 3.334 -3.176 4.228 52 HB2 E9V 10 2HB NHI 10 5.344 -3.184 1.975 53 HB3 E9V 10 3HB NHI 10 5.298 -4.247 3.377 54 HD1 E9V 10 1HD NHI 10 2.608 -5.440 3.375 55 HD2 E9V 10 2HD NHI 10 4.631 -4.651 -0.168 56 HE1 E9V 10 1HE NHI 10 1.570 -6.954 1.657 57 3HN E9V 10 3HN NHI 10 4.081 -2.028 0.849 58 H1 E9V 10 H NHI 10 3.512 -0.458 1.463 59 2HN E9V 10 2HN NHI 10 2.403 -1.514 0.557 60 H DPN 11 H DPH 11 3.369 -0.192 3.456 61 HA DPN 11 HA DPH 11 5.993 0.483 4.601 62 HB2 DPN 11 2HB DPH 11 4.157 0.529 6.328 63 HB3 DPN 11 3HB DPH 11 3.405 1.824 5.401 64 HD1 DPN 11 1HD DPH 11 6.637 0.926 7.020 65 HD2 DPN 11 2HD DPH 11 3.930 4.013 5.892 66 HE1 DPN 11 1HE DPH 11 8.027 2.575 8.205 67 HE2 DPN 11 2HE DPH 11 5.316 5.666 7.077 68 HZ DPN 11 HZ DPH 11 7.368 4.947 8.234 69 HA MMO 12 HA NAR 12 5.198 3.349 1.267 70 HCB1 MMO 12 2HB NAR 12 8.171 2.799 1.311 71 HCB2 MMO 12 3HB NAR 12 7.385 4.229 0.656 72 HCG1 MMO 12 2HG NAR 12 6.542 4.734 2.941 73 HCG2 MMO 12 3HG NAR 12 7.510 3.387 3.540 74 HCD1 MMO 12 2HD NAR 12 9.518 4.497 2.548 75 HCD2 MMO 12 3HD NAR 12 8.499 5.888 2.182 76 HH21 MMO 12 1HH2 NAR 12 9.304 6.539 6.474 77 HH22 MMO 12 2HH2 NAR 12 10.328 7.829 5.939 78 HH11 MMO 12 1HH1 NAR 12 10.111 6.981 2.552 79 HC1 MMO 12 2HN NAR 12 7.249 0.347 3.147 80 HC2 MMO 12 3HN NAR 12 7.293 0.449 1.372 81 HC3 MMO 12 H NAR 12 5.955 -0.399 2.181 82 HE MMO 12 HE NAR 12 8.422 5.097 4.944 83 HH12 MMO 12 2HH1 NAR 12 10.786 8.082 3.708 84 H TRP 13 H TRP 13 4.070 2.209 -0.301 85 HA TRP 13 HA TRP 13 5.661 1.410 -2.595 86 HB3 TRP 13 2HB TRP 13 4.076 -0.681 -2.759 87 HD1 TRP 13 HD TRP 13 5.924 -1.372 0.429 88 HE1 TRP 13 1HE TRP 13 8.163 -2.526 -0.098 89 HE3 TRP 13 3HE TRP 13 6.023 -0.682 -4.637 90 HZ2 TRP 13 2HZ TRP 13 9.761 -3.071 -2.362 91 HZ3 TRP 13 3HZ TRP 13 7.942 -1.548 -5.909 92 HH2 TRP 13 HH TRP 13 9.772 -2.717 -4.792 93 H ARG 14 H ARG 14 4.310 1.070 -4.536 94 HA ARG 14 HA ARG 14 2.364 3.132 -4.765 95 HB3 ARG 14 2HB ARG 14 2.084 2.280 -7.083 96 HG3 ARG 14 2HG ARG 14 5.005 2.353 -6.380 97 HD3 ARG 14 2HD ARG 14 3.611 3.500 -8.780 98 HE ARG 14 HE ARG 14 6.307 2.614 -9.049 99 HH11 ARG 14 1HH2 ARG 14 7.945 4.185 -9.286 100 HH12 ARG 14 2HH2 ARG 14 7.618 5.829 -8.854 101 HH21 ARG 14 1HH1 ARG 14 4.317 5.218 -7.871 102 HH22 ARG 14 2HH1 ARG 14 5.555 6.418 -8.049 Start of MODEL 3 1 H1 CYS 1 H CYS 1 -0.223 2.481 -4.108 2 HA CYS 1 HA CYS 1 0.312 0.129 -2.414 3 HB3 CYS 1 2HB CYS 1 -1.888 0.860 -1.251 4 H THR 2 H THR 2 -1.995 -1.002 -2.039 5 HA THR 2 HA THR 2 -2.815 -1.830 -4.697 6 HB THR 2 HB THR 2 -4.126 -3.575 -3.494 7 HG1 THR 2 1HG THR 2 -2.813 -2.756 -1.125 8 HG21 THR 2 1HG2 THR 2 -1.201 -3.312 -2.795 9 HG22 THR 2 2HG2 THR 2 -1.897 -4.128 -4.196 10 HG23 THR 2 3HG2 THR 2 -2.141 -4.786 -2.579 11 H ALA 3 H ALA 3 -4.994 -1.913 -5.398 12 HA ALA 3 HA ALA 3 -6.553 0.361 -4.529 13 HB1 ALA 3 1HB ALA 3 -7.607 -1.553 -6.540 14 HB2 ALA 3 2HB ALA 3 -7.660 0.209 -6.516 15 HB3 ALA 3 3HB ALA 3 -6.167 -0.622 -6.955 16 H SER 4 H SER 4 -6.512 -1.174 -2.386 17 HA SER 4 HA SER 4 -9.010 -2.728 -2.395 18 HB3 SER 4 2HB SER 4 -7.504 -4.210 -1.507 19 HG SER 4 HG SER 4 -5.557 -3.558 -1.112 20 H ILE 5 H ILE 5 -10.152 -2.666 -0.188 21 HA ILE 5 HA ILE 5 -10.045 -0.008 1.035 22 HB ILE 5 HB ILE 5 -12.606 -1.246 0.021 23 HG13 ILE 5 2HG1 ILE 5 -10.742 0.788 -1.085 24 HG21 ILE 5 1HG2 ILE 5 -11.994 1.081 1.766 25 HG22 ILE 5 2HG2 ILE 5 -13.345 1.205 0.644 26 HG23 ILE 5 3HG2 ILE 5 -13.318 -0.079 1.852 27 HD11 ILE 5 1HD1 ILE 5 -10.816 -0.664 -2.753 28 HD12 ILE 5 2HD1 ILE 5 -12.178 -1.523 -2.033 29 HD13 ILE 5 3HD1 ILE 5 -12.465 -0.117 -3.058 30 HA PRO 6 HA PRO 6 -9.398 0.600 2.688 31 HB3 PRO 6 2HB PRO 6 -9.098 0.651 4.966 32 HG3 PRO 6 2HG PRO 6 -9.170 -1.300 6.229 33 HD3 PRO 6 2HD PRO 6 -11.120 -1.538 5.020 34 HA PRO 7 HA PRO 7 -6.111 -0.750 0.099 35 HB3 PRO 7 2HB PRO 7 -5.575 1.459 -0.230 36 HG3 PRO 7 2HG PRO 7 -5.696 2.994 1.512 37 HD3 PRO 7 2HD PRO 7 -7.771 2.012 1.706 38 H ILE 8 H ILE 8 -4.074 -1.809 0.018 39 HA ILE 8 HA ILE 8 -3.063 -2.682 2.646 40 HB ILE 8 HB ILE 8 -3.102 -4.308 0.102 41 HG13 ILE 8 2HG1 ILE 8 -4.833 -5.650 1.171 42 HG21 ILE 8 1HG2 ILE 8 -1.384 -5.297 1.181 43 HG22 ILE 8 2HG2 ILE 8 -1.867 -4.665 2.754 44 HG23 ILE 8 3HG2 ILE 8 -2.682 -6.078 2.083 45 HD11 ILE 8 1HD1 ILE 8 -5.972 -4.870 3.198 46 HD12 ILE 8 2HD1 ILE 8 -4.308 -5.368 3.507 47 HD13 ILE 8 3HD1 ILE 8 -4.714 -3.654 3.418 48 H CYS 9 H CYS 9 -1.077 -1.991 3.039 49 HA CYS 9 HA CYS 9 0.854 -1.883 0.829 50 HB3 CYS 9 2HB CYS 9 1.566 0.274 1.314 51 HA E9V 10 HA NHI 10 3.415 -3.285 4.127 52 HB2 E9V 10 2HB NHI 10 4.145 -4.113 1.654 53 HB3 E9V 10 3HB NHI 10 5.633 -3.324 2.170 54 HD1 E9V 10 1HD NHI 10 4.875 -4.300 5.266 55 HD2 E9V 10 2HD NHI 10 5.573 -6.581 1.864 56 HE1 E9V 10 1HE NHI 10 5.568 -6.567 6.106 57 3HN E9V 10 3HN NHI 10 4.091 -2.050 0.762 58 H1 E9V 10 H NHI 10 3.569 -0.489 1.439 59 2HN E9V 10 2HN NHI 10 2.415 -1.497 0.534 60 H DPN 11 H DPH 11 3.486 -0.283 3.445 61 HA DPN 11 HA DPH 11 6.155 0.310 4.526 62 HB2 DPN 11 2HB DPH 11 4.130 0.336 6.199 63 HB3 DPN 11 3HB DPH 11 3.782 1.888 5.444 64 HD1 DPN 11 1HD DPH 11 5.293 0.442 8.159 65 HD2 DPN 11 2HD DPH 11 6.057 3.362 5.158 66 HE1 DPN 11 1HE DPH 11 6.942 1.520 9.633 67 HE2 DPN 11 2HE DPH 11 7.705 4.447 6.628 68 HZ DPN 11 HZ DPH 11 8.150 3.526 8.869 69 HA MMO 12 HA NAR 12 5.304 3.302 1.320 70 HCB1 MMO 12 2HB NAR 12 8.205 2.681 1.718 71 HCB2 MMO 12 3HB NAR 12 7.724 3.792 0.442 72 HCG1 MMO 12 2HG NAR 12 6.428 4.430 2.944 73 HCG2 MMO 12 3HG NAR 12 8.186 4.409 3.102 74 HCD1 MMO 12 2HD NAR 12 8.465 6.195 1.736 75 HCD2 MMO 12 3HD NAR 12 7.093 5.764 0.716 76 HH21 MMO 12 1HH2 NAR 12 5.105 8.520 3.531 77 HH22 MMO 12 2HH2 NAR 12 3.636 7.970 2.798 78 HH11 MMO 12 1HH1 NAR 12 5.170 5.429 0.951 79 HC1 MMO 12 2HN NAR 12 7.361 0.203 3.025 80 HC2 MMO 12 3HN NAR 12 7.343 0.363 1.253 81 HC3 MMO 12 H NAR 12 6.022 -0.490 2.083 82 HE MMO 12 HE NAR 12 7.071 7.481 3.022 83 HH12 MMO 12 2HH1 NAR 12 3.671 6.211 1.332 84 H TRP 13 H TRP 13 4.094 2.246 -0.243 85 HA TRP 13 HA TRP 13 5.555 1.543 -2.639 86 HB3 TRP 13 2HB TRP 13 4.034 -0.592 -2.798 87 HD1 TRP 13 HD TRP 13 6.061 -1.369 0.252 88 HE1 TRP 13 1HE TRP 13 8.309 -2.417 -0.435 89 HE3 TRP 13 3HE TRP 13 5.895 -0.418 -4.767 90 HZ2 TRP 13 2HZ TRP 13 9.812 -2.789 -2.795 91 HZ3 TRP 13 3HZ TRP 13 7.778 -1.152 -6.170 92 HH2 TRP 13 HH TRP 13 9.696 -2.312 -5.201 93 H ARG 14 H ARG 14 4.255 1.554 -4.529 94 HA ARG 14 HA ARG 14 2.129 3.416 -4.462 95 HB3 ARG 14 2HB ARG 14 3.448 3.297 -6.439 96 HG3 ARG 14 2HG ARG 14 2.742 0.935 -7.745 97 HD3 ARG 14 2HD ARG 14 5.378 1.149 -6.398 98 HE ARG 14 HE ARG 14 4.467 -0.090 -8.710 99 HH11 ARG 14 1HH2 ARG 14 5.907 -0.890 -10.287 100 HH12 ARG 14 2HH2 ARG 14 7.511 -0.245 -10.383 101 HH21 ARG 14 1HH1 ARG 14 7.076 2.000 -7.737 102 HH22 ARG 14 2HH1 ARG 14 8.177 1.398 -8.931 Start of MODEL 4 1 H1 CYS 1 H CYS 1 0.213 2.585 -3.963 2 HA CYS 1 HA CYS 1 0.264 0.126 -2.378 3 HB3 CYS 1 2HB CYS 1 -1.935 1.251 -1.471 4 H THR 2 H THR 2 -1.947 -0.955 -2.126 5 HA THR 2 HA THR 2 -2.878 -1.635 -4.789 6 HB THR 2 HB THR 2 -4.171 -3.416 -3.641 7 HG1 THR 2 1HG THR 2 -2.821 -2.732 -1.254 8 HG21 THR 2 1HG2 THR 2 -2.054 -4.534 -2.589 9 HG22 THR 2 2HG2 THR 2 -1.222 -3.130 -3.256 10 HG23 THR 2 3HG2 THR 2 -2.113 -4.214 -4.321 11 H ALA 3 H ALA 3 -5.050 -1.575 -5.454 12 HA ALA 3 HA ALA 3 -6.539 0.656 -4.377 13 HB1 ALA 3 1HB ALA 3 -6.242 0.072 -6.852 14 HB2 ALA 3 2HB ALA 3 -7.486 -1.148 -6.577 15 HB3 ALA 3 3HB ALA 3 -7.848 0.556 -6.308 16 H SER 4 H SER 4 -6.509 -1.021 -2.354 17 HA SER 4 HA SER 4 -9.034 -2.529 -2.440 18 HB3 SER 4 2HB SER 4 -7.542 -4.094 -1.676 19 HG SER 4 HG SER 4 -5.659 -2.955 -1.703 20 H ILE 5 H ILE 5 -10.151 -2.602 -0.222 21 HA ILE 5 HA ILE 5 -9.982 -0.039 1.183 22 HB ILE 5 HB ILE 5 -12.562 -1.157 0.077 23 HG13 ILE 5 2HG1 ILE 5 -11.157 -0.056 -1.624 24 HG21 ILE 5 1HG2 ILE 5 -13.598 -0.003 1.662 25 HG22 ILE 5 2HG2 ILE 5 -12.051 0.545 2.306 26 HG23 ILE 5 3HG2 ILE 5 -12.862 1.477 1.048 27 HD11 ILE 5 1HD1 ILE 5 -13.168 2.046 -1.096 28 HD12 ILE 5 2HD1 ILE 5 -12.786 1.182 -2.586 29 HD13 ILE 5 3HD1 ILE 5 -13.754 0.399 -1.337 30 HA PRO 6 HA PRO 6 -9.311 0.442 2.867 31 HB3 PRO 6 2HB PRO 6 -8.988 0.326 5.140 32 HG3 PRO 6 2HG PRO 6 -9.083 -1.708 6.263 33 HD3 PRO 6 2HD PRO 6 -11.047 -1.825 5.063 34 HA PRO 7 HA PRO 7 -6.071 -0.779 0.157 35 HB3 PRO 7 2HB PRO 7 -5.498 1.437 -0.019 36 HG3 PRO 7 2HG PRO 7 -5.573 2.846 1.829 37 HD3 PRO 7 2HD PRO 7 -7.665 1.890 1.974 38 H ILE 8 H ILE 8 -4.070 -1.882 -0.022 39 HA ILE 8 HA ILE 8 -3.063 -2.970 2.527 40 HB ILE 8 HB ILE 8 -3.102 -4.374 -0.147 41 HG13 ILE 8 2HG1 ILE 8 -5.360 -4.036 0.899 42 HG21 ILE 8 1HG2 ILE 8 -2.784 -6.112 2.087 43 HG22 ILE 8 2HG2 ILE 8 -1.679 -5.824 0.744 44 HG23 ILE 8 3HG2 ILE 8 -1.584 -4.823 2.193 45 HD11 ILE 8 1HD1 ILE 8 -4.515 -6.919 0.985 46 HD12 ILE 8 2HD1 ILE 8 -6.137 -6.277 0.713 47 HD13 ILE 8 3HD1 ILE 8 -4.877 -6.038 -0.499 48 H CYS 9 H CYS 9 -1.191 -1.977 2.941 49 HA CYS 9 HA CYS 9 0.838 -1.933 0.812 50 HB3 CYS 9 2HB CYS 9 1.487 0.255 1.277 51 HA E9V 10 HA NHI 10 3.308 -3.156 4.246 52 HB2 E9V 10 2HB NHI 10 4.070 -4.245 2.009 53 HB3 E9V 10 3HB NHI 10 5.451 -3.161 2.143 54 HD1 E9V 10 1HD NHI 10 3.797 -5.101 4.952 55 HD2 E9V 10 2HD NHI 10 7.405 -4.901 2.901 56 HE1 E9V 10 1HE NHI 10 5.350 -6.658 6.170 57 3HN E9V 10 3HN NHI 10 4.074 -2.025 0.866 58 H1 E9V 10 H NHI 10 3.490 -0.455 1.467 59 2HN E9V 10 2HN NHI 10 2.394 -1.523 0.558 60 H DPN 11 H DPH 11 3.330 -0.177 3.454 61 HA DPN 11 HA DPH 11 5.939 0.522 4.620 62 HB2 DPN 11 2HB DPH 11 3.845 0.564 6.204 63 HB3 DPN 11 3HB DPH 11 3.491 2.077 5.372 64 HD1 DPN 11 1HD DPH 11 4.895 0.798 8.215 65 HD2 DPN 11 2HD DPH 11 5.765 3.577 5.110 66 HE1 DPN 11 1HE DPH 11 6.453 1.976 9.711 67 HE2 DPN 11 2HE DPH 11 7.324 4.760 6.602 68 HZ DPN 11 HZ DPH 11 7.670 3.960 8.906 69 HA MMO 12 HA NAR 12 5.156 3.361 1.259 70 HCB1 MMO 12 2HB NAR 12 8.120 2.818 1.502 71 HCB2 MMO 12 3HB NAR 12 7.426 4.144 0.580 72 HCG1 MMO 12 2HG NAR 12 7.081 3.731 3.543 73 HCG2 MMO 12 3HG NAR 12 8.233 4.838 2.793 74 HCD1 MMO 12 2HD NAR 12 5.231 4.948 2.526 75 HCD2 MMO 12 3HD NAR 12 6.221 6.013 3.523 76 HH21 MMO 12 1HH2 NAR 12 6.794 7.917 -0.417 77 HH22 MMO 12 2HH2 NAR 12 8.002 8.864 0.386 78 HH11 MMO 12 1HH1 NAR 12 7.903 7.006 3.346 79 HC1 MMO 12 2HN NAR 12 7.271 0.476 1.404 80 HC2 MMO 12 3HN NAR 12 5.931 -0.375 2.209 81 HC3 MMO 12 H NAR 12 7.212 0.388 3.181 82 HE MMO 12 HE NAR 12 5.839 6.156 0.674 83 HH12 MMO 12 2HH1 NAR 12 8.633 8.346 2.525 84 H TRP 13 H TRP 13 4.055 2.200 -0.313 85 HA TRP 13 HA TRP 13 5.686 1.386 -2.578 86 HB3 TRP 13 2HB TRP 13 4.082 -0.697 -2.749 87 HD1 TRP 13 HD TRP 13 5.936 -1.337 0.456 88 HE1 TRP 13 1HE TRP 13 8.164 -2.523 -0.056 89 HE3 TRP 13 3HE TRP 13 6.005 -0.774 -4.625 90 HZ2 TRP 13 2HZ TRP 13 9.741 -3.137 -2.315 91 HZ3 TRP 13 3HZ TRP 13 7.910 -1.689 -5.887 92 HH2 TRP 13 HH TRP 13 9.739 -2.845 -4.754 93 H ARG 14 H ARG 14 4.314 0.954 -4.525 94 HA ARG 14 HA ARG 14 2.416 3.057 -4.831 95 HB3 ARG 14 2HB ARG 14 2.131 2.133 -7.124 96 HG3 ARG 14 2HG ARG 14 4.642 2.150 -7.751 97 HD3 ARG 14 2HD ARG 14 4.739 4.641 -7.238 98 HE ARG 14 HE ARG 14 3.044 3.337 -9.045 99 HH11 ARG 14 1HH2 ARG 14 2.085 4.480 -10.771 100 HH12 ARG 14 2HH2 ARG 14 1.935 6.202 -10.673 101 HH21 ARG 14 1HH1 ARG 14 3.424 6.441 -7.518 102 HH22 ARG 14 2HH1 ARG 14 2.697 7.318 -8.822 Start of MODEL 5 1 H1 CYS 1 H CYS 1 0.234 2.632 -3.912 2 HA CYS 1 HA CYS 1 0.281 0.141 -2.402 3 HB3 CYS 1 2HB CYS 1 -1.925 1.249 -1.479 4 H THR 2 H THR 2 -1.933 -0.943 -2.127 5 HA THR 2 HA THR 2 -2.872 -1.639 -4.785 6 HB THR 2 HB THR 2 -4.153 -3.421 -3.631 7 HG1 THR 2 1HG THR 2 -2.819 -2.734 -1.238 8 HG21 THR 2 1HG2 THR 2 -2.231 -4.743 -2.917 9 HG22 THR 2 2HG2 THR 2 -1.252 -3.280 -2.798 10 HG23 THR 2 3HG2 THR 2 -1.839 -3.822 -4.369 11 H ALA 3 H ALA 3 -5.047 -1.586 -5.442 12 HA ALA 3 HA ALA 3 -6.536 0.645 -4.371 13 HB1 ALA 3 1HB ALA 3 -6.225 -0.075 -6.863 14 HB2 ALA 3 2HB ALA 3 -7.600 -1.124 -6.523 15 HB3 ALA 3 3HB ALA 3 -7.753 0.620 -6.322 16 H SER 4 H SER 4 -6.493 -1.035 -2.346 17 HA SER 4 HA SER 4 -9.020 -2.540 -2.420 18 HB3 SER 4 2HB SER 4 -7.517 -4.105 -1.672 19 HG SER 4 HG SER 4 -5.574 -3.308 -1.493 20 H ILE 5 H ILE 5 -10.189 -2.586 -0.263 21 HA ILE 5 HA ILE 5 -9.987 -0.037 1.171 22 HB ILE 5 HB ILE 5 -12.613 -1.134 0.165 23 HG13 ILE 5 2HG1 ILE 5 -12.643 0.703 -1.416 24 HG21 ILE 5 1HG2 ILE 5 -13.299 1.266 0.843 25 HG22 ILE 5 2HG2 ILE 5 -13.101 0.046 2.099 26 HG23 ILE 5 3HG2 ILE 5 -11.829 1.234 1.817 27 HD11 ILE 5 1HD1 ILE 5 -10.359 1.883 -1.777 28 HD12 ILE 5 2HD1 ILE 5 -11.489 2.501 -0.572 29 HD13 ILE 5 3HD1 ILE 5 -10.114 1.519 -0.068 30 HA PRO 6 HA PRO 6 -9.323 0.444 2.859 31 HB3 PRO 6 2HB PRO 6 -9.010 0.324 5.133 32 HG3 PRO 6 2HG PRO 6 -9.113 -1.710 6.253 33 HD3 PRO 6 2HD PRO 6 -11.074 -1.823 5.046 34 HA PRO 7 HA PRO 7 -6.078 -0.783 0.158 35 HB3 PRO 7 2HB PRO 7 -5.500 1.434 -0.014 36 HG3 PRO 7 2HG PRO 7 -5.579 2.843 1.834 37 HD3 PRO 7 2HD PRO 7 -7.674 1.890 1.971 38 H ILE 8 H ILE 8 -4.059 -1.868 -0.011 39 HA ILE 8 HA ILE 8 -3.064 -2.958 2.541 40 HB ILE 8 HB ILE 8 -3.136 -4.368 -0.131 41 HG13 ILE 8 2HG1 ILE 8 -4.861 -5.782 0.846 42 HG21 ILE 8 1HG2 ILE 8 -2.214 -5.244 2.598 43 HG22 ILE 8 2HG2 ILE 8 -2.507 -6.354 1.259 44 HG23 ILE 8 3HG2 ILE 8 -1.254 -5.119 1.125 45 HD11 ILE 8 1HD1 ILE 8 -5.801 -4.361 3.043 46 HD12 ILE 8 2HD1 ILE 8 -5.072 -5.966 3.040 47 HD13 ILE 8 3HD1 ILE 8 -4.070 -4.543 3.318 48 H CYS 9 H CYS 9 -1.189 -1.971 2.950 49 HA CYS 9 HA CYS 9 0.838 -1.939 0.818 50 HB3 CYS 9 2HB CYS 9 1.493 0.251 1.277 51 HA E9V 10 HA NHI 10 3.307 -3.158 4.254 52 HB2 E9V 10 2HB NHI 10 5.341 -3.171 2.023 53 HB3 E9V 10 3HB NHI 10 5.278 -4.230 3.429 54 HD1 E9V 10 1HD NHI 10 4.681 -4.377 -0.015 55 HD2 E9V 10 2HD NHI 10 2.563 -5.705 3.304 56 HE1 E9V 10 1HE NHI 10 3.138 -6.167 -0.875 57 3HN E9V 10 3HN NHI 10 4.074 -2.036 0.870 58 H1 E9V 10 H NHI 10 3.494 -0.462 1.466 59 2HN E9V 10 2HN NHI 10 2.396 -1.533 0.563 60 H DPN 11 H DPH 11 3.335 -0.180 3.454 61 HA DPN 11 HA DPH 11 5.943 0.519 4.618 62 HB2 DPN 11 2HB DPH 11 4.269 0.614 6.401 63 HB3 DPN 11 3HB DPH 11 3.266 1.677 5.418 64 HD1 DPN 11 1HD DPH 11 6.908 1.653 6.228 65 HD2 DPN 11 2HD DPH 11 3.219 3.774 6.348 66 HE1 DPN 11 1HE DPH 11 8.065 3.607 7.175 67 HE2 DPN 11 2HE DPH 11 4.371 5.731 7.294 68 HZ DPN 11 HZ DPH 11 6.796 5.649 7.709 69 HA MMO 12 HA NAR 12 5.164 3.352 1.253 70 HCB1 MMO 12 2HB NAR 12 8.099 2.800 1.650 71 HCB2 MMO 12 3HB NAR 12 7.523 4.001 0.503 72 HCG1 MMO 12 2HG NAR 12 6.551 4.131 3.310 73 HCG2 MMO 12 3HG NAR 12 8.194 4.664 2.950 74 HCD1 MMO 12 2HD NAR 12 6.906 6.604 2.754 75 HCD2 MMO 12 3HD NAR 12 7.132 6.066 1.090 76 HH21 MMO 12 1HH2 NAR 12 2.738 5.844 1.462 77 HH22 MMO 12 2HH2 NAR 12 2.724 7.248 0.447 78 HH11 MMO 12 1HH1 NAR 12 6.184 7.739 0.591 79 HC1 MMO 12 2HN NAR 12 7.214 0.376 3.177 80 HC2 MMO 12 3HN NAR 12 7.272 0.464 1.400 81 HC3 MMO 12 H NAR 12 5.930 -0.386 2.206 82 HE MMO 12 HE NAR 12 4.719 5.082 2.298 83 HH12 MMO 12 2HH1 NAR 12 4.683 8.326 -0.049 84 H TRP 13 H TRP 13 4.056 2.201 -0.317 85 HA TRP 13 HA TRP 13 5.675 1.372 -2.582 86 HB3 TRP 13 2HB TRP 13 4.049 -0.697 -2.746 87 HD1 TRP 13 HD TRP 13 5.926 -1.342 0.448 88 HE1 TRP 13 1HE TRP 13 8.136 -2.550 -0.078 89 HE3 TRP 13 3HE TRP 13 5.951 -0.811 -4.637 90 HZ2 TRP 13 2HZ TRP 13 9.685 -3.193 -2.349 91 HZ3 TRP 13 3HZ TRP 13 7.833 -1.751 -5.912 92 HH2 TRP 13 HH TRP 13 9.661 -2.917 -4.789 93 H ARG 14 H ARG 14 4.317 0.977 -4.533 94 HA ARG 14 HA ARG 14 2.423 3.082 -4.830 95 HB3 ARG 14 2HB ARG 14 2.184 2.267 -7.129 96 HG3 ARG 14 2HG ARG 14 4.877 2.617 -5.962 97 HD3 ARG 14 2HD ARG 14 4.343 1.450 -8.677 98 HE ARG 14 HE ARG 14 7.014 2.355 -8.325 99 HH11 ARG 14 1HH2 ARG 14 7.786 4.042 -9.652 100 HH12 ARG 14 2HH2 ARG 14 6.658 5.051 -10.491 101 HH21 ARG 14 1HH1 ARG 14 3.828 3.409 -9.255 102 HH22 ARG 14 2HH1 ARG 14 4.407 4.693 -10.264 Start of MODEL 6 1 H1 CYS 1 H CYS 1 0.553 2.618 -3.731 2 HA CYS 1 HA CYS 1 0.247 0.134 -2.352 3 HB3 CYS 1 2HB CYS 1 -1.932 1.426 -1.566 4 H THR 2 H THR 2 -1.921 -0.934 -2.152 5 HA THR 2 HA THR 2 -2.898 -1.549 -4.814 6 HB THR 2 HB THR 2 -4.104 -3.388 -3.772 7 HG1 THR 2 1HG THR 2 -4.713 -2.489 -1.809 8 HG21 THR 2 1HG2 THR 2 -1.747 -3.752 -4.288 9 HG22 THR 2 2HG2 THR 2 -2.200 -4.630 -2.827 10 HG23 THR 2 3HG2 THR 2 -1.290 -3.126 -2.705 11 H ALA 3 H ALA 3 -5.063 -1.423 -5.464 12 HA ALA 3 HA ALA 3 -6.522 0.780 -4.294 13 HB1 ALA 3 1HB ALA 3 -6.935 -0.919 -6.736 14 HB2 ALA 3 2HB ALA 3 -8.133 0.259 -6.199 15 HB3 ALA 3 3HB ALA 3 -6.510 0.791 -6.639 16 H SER 4 H SER 4 -6.504 -0.973 -2.339 17 HA SER 4 HA SER 4 -9.044 -2.452 -2.474 18 HB3 SER 4 2HB SER 4 -7.485 -4.031 -1.816 19 HG SER 4 HG SER 4 -6.094 -2.741 0.117 20 H ILE 5 H ILE 5 -10.150 -2.602 -0.252 21 HA ILE 5 HA ILE 5 -9.959 -0.088 1.239 22 HB ILE 5 HB ILE 5 -12.560 -1.170 0.148 23 HG13 ILE 5 2HG1 ILE 5 -11.201 -0.066 -1.574 24 HG21 ILE 5 1HG2 ILE 5 -12.809 -0.187 2.363 25 HG22 ILE 5 2HG2 ILE 5 -11.996 1.278 1.814 26 HG23 ILE 5 3HG2 ILE 5 -13.562 0.831 1.135 27 HD11 ILE 5 1HD1 ILE 5 -12.745 1.475 -2.395 28 HD12 ILE 5 2HD1 ILE 5 -13.709 0.352 -1.435 29 HD13 ILE 5 3HD1 ILE 5 -13.283 1.932 -0.779 30 HA PRO 6 HA PRO 6 -9.297 0.358 2.937 31 HB3 PRO 6 2HB PRO 6 -8.966 0.181 5.203 32 HG3 PRO 6 2HG PRO 6 -9.033 -1.886 6.267 33 HD3 PRO 6 2HD PRO 6 -11.000 -1.990 5.071 34 HA PRO 7 HA PRO 7 -6.054 -0.744 0.181 35 HB3 PRO 7 2HB PRO 7 -5.505 1.483 0.070 36 HG3 PRO 7 2HG PRO 7 -5.589 2.835 1.960 37 HD3 PRO 7 2HD PRO 7 -7.670 1.852 2.083 38 H ILE 8 H ILE 8 -4.132 -1.916 -0.040 39 HA ILE 8 HA ILE 8 -3.076 -3.038 2.472 40 HB ILE 8 HB ILE 8 -3.212 -4.336 -0.251 41 HG13 ILE 8 2HG1 ILE 8 -5.292 -4.052 1.394 42 HG21 ILE 8 1HG2 ILE 8 -1.476 -5.534 0.485 43 HG22 ILE 8 2HG2 ILE 8 -1.647 -4.926 2.130 44 HG23 ILE 8 3HG2 ILE 8 -2.623 -6.291 1.588 45 HD11 ILE 8 1HD1 ILE 8 -4.952 -5.531 -0.770 46 HD12 ILE 8 2HD1 ILE 8 -5.008 -6.832 0.421 47 HD13 ILE 8 3HD1 ILE 8 -6.360 -5.708 0.278 48 H CYS 9 H CYS 9 -1.208 -2.051 2.915 49 HA CYS 9 HA CYS 9 0.834 -1.974 0.804 50 HB3 CYS 9 2HB CYS 9 1.455 0.230 1.251 51 HA E9V 10 HA NHI 10 3.272 -3.113 4.290 52 HB2 E9V 10 2HB NHI 10 5.312 -3.124 2.061 53 HB3 E9V 10 3HB NHI 10 5.300 -4.135 3.504 54 HD1 E9V 10 1HD NHI 10 2.682 -5.451 3.547 55 HD2 E9V 10 2HD NHI 10 4.635 -4.668 -0.036 56 HE1 E9V 10 1HE NHI 10 1.699 -7.056 1.881 57 3HN E9V 10 3HN NHI 10 4.069 -2.026 0.902 58 H1 E9V 10 H NHI 10 3.458 -0.453 1.467 59 2HN E9V 10 2HN NHI 10 2.389 -1.550 0.564 60 H DPN 11 H DPH 11 3.266 -0.144 3.446 61 HA DPN 11 HA DPH 11 5.841 0.610 4.650 62 HB2 DPN 11 2HB DPH 11 3.897 0.654 6.292 63 HB3 DPN 11 3HB DPH 11 3.237 1.974 5.332 64 HD1 DPN 11 1HD DPH 11 6.616 1.097 6.662 65 HD2 DPN 11 2HD DPH 11 3.541 4.018 6.308 66 HE1 DPN 11 1HE DPH 11 7.995 2.698 7.922 67 HE2 DPN 11 2HE DPH 11 4.915 5.623 7.569 68 HZ DPN 11 HZ DPH 11 7.145 4.964 8.378 69 HA MMO 12 HA NAR 12 5.094 3.377 1.223 70 HCB1 MMO 12 2HB NAR 12 8.076 2.919 1.260 71 HCB2 MMO 12 3HB NAR 12 7.221 4.361 0.732 72 HCG1 MMO 12 2HG NAR 12 6.384 4.555 3.123 73 HCG2 MMO 12 3HG NAR 12 7.598 3.338 3.525 74 HCD1 MMO 12 2HD NAR 12 8.448 5.590 3.912 75 HCD2 MMO 12 3HD NAR 12 9.351 4.782 2.632 76 HH21 MMO 12 1HH2 NAR 12 7.724 8.261 0.454 77 HH22 MMO 12 2HH2 NAR 12 9.339 8.882 0.518 78 HH11 MMO 12 1HH1 NAR 12 10.511 6.413 2.700 79 HC1 MMO 12 2HN NAR 12 7.145 0.465 3.242 80 HC2 MMO 12 3HN NAR 12 7.242 0.526 1.466 81 HC3 MMO 12 H NAR 12 5.896 -0.332 2.253 82 HE MMO 12 HE NAR 12 7.190 6.394 1.650 83 HH12 MMO 12 2HH1 NAR 12 10.925 7.831 1.794 84 H TRP 13 H TRP 13 4.042 2.177 -0.352 85 HA TRP 13 HA TRP 13 5.739 1.323 -2.556 86 HB3 TRP 13 2HB TRP 13 4.085 -0.742 -2.721 87 HD1 TRP 13 HD TRP 13 5.935 -1.404 0.472 88 HE1 TRP 13 1HE TRP 13 8.150 -2.612 -0.040 89 HE3 TRP 13 3HE TRP 13 6.022 -0.819 -4.606 90 HZ2 TRP 13 2HZ TRP 13 9.724 -3.234 -2.299 91 HZ3 TRP 13 3HZ TRP 13 7.919 -1.748 -5.867 92 HH2 TRP 13 HH TRP 13 9.731 -2.930 -4.736 93 H ARG 14 H ARG 14 4.323 0.718 -4.499 94 HA ARG 14 HA ARG 14 2.531 2.891 -4.968 95 HB3 ARG 14 2HB ARG 14 2.151 1.614 -7.171 96 HG3 ARG 14 2HG ARG 14 4.610 1.964 -7.891 97 HD3 ARG 14 2HD ARG 14 3.312 4.402 -6.731 98 HE ARG 14 HE ARG 14 5.301 4.081 -8.621 99 HH11 ARG 14 1HH2 ARG 14 5.848 5.721 -10.108 100 HH12 ARG 14 2HH2 ARG 14 4.678 6.933 -10.508 101 HH21 ARG 14 1HH1 ARG 14 2.194 5.637 -8.417 102 HH22 ARG 14 2HH1 ARG 14 2.600 6.887 -9.545 Start of MODEL 7 1 H1 CYS 1 H CYS 1 0.361 2.576 -3.951 2 HA CYS 1 HA CYS 1 0.284 0.134 -2.365 3 HB3 CYS 1 2HB CYS 1 -1.895 1.382 -1.527 4 H THR 2 H THR 2 -1.917 -0.911 -2.100 5 HA THR 2 HA THR 2 -2.899 -1.594 -4.744 6 HB THR 2 HB THR 2 -4.105 -3.402 -3.659 7 HG1 THR 2 1HG THR 2 -4.674 -2.307 -1.721 8 HG21 THR 2 1HG2 THR 2 -2.223 -4.594 -3.618 9 HG22 THR 2 2HG2 THR 2 -1.727 -3.834 -2.107 10 HG23 THR 2 3HG2 THR 2 -1.313 -3.085 -3.649 11 H ALA 3 H ALA 3 -5.033 -1.416 -5.429 12 HA ALA 3 HA ALA 3 -6.496 0.791 -4.272 13 HB1 ALA 3 1HB ALA 3 -7.442 -0.893 -6.567 14 HB2 ALA 3 2HB ALA 3 -7.777 0.804 -6.225 15 HB3 ALA 3 3HB ALA 3 -6.174 0.316 -6.769 16 H SER 4 H SER 4 -6.523 -0.983 -2.332 17 HA SER 4 HA SER 4 -9.075 -2.435 -2.522 18 HB3 SER 4 2HB SER 4 -7.543 -4.037 -1.857 19 HG SER 4 HG SER 4 -5.741 -3.613 -0.658 20 H ILE 5 H ILE 5 -10.217 -2.595 -0.319 21 HA ILE 5 HA ILE 5 -10.023 -0.101 1.202 22 HB ILE 5 HB ILE 5 -12.607 -1.139 0.035 23 HG13 ILE 5 2HG1 ILE 5 -11.134 0.035 -1.585 24 HG21 ILE 5 1HG2 ILE 5 -12.952 1.430 1.091 25 HG22 ILE 5 2HG2 ILE 5 -13.605 -0.084 1.716 26 HG23 ILE 5 3HG2 ILE 5 -12.061 0.523 2.314 27 HD11 ILE 5 1HD1 ILE 5 -13.819 0.728 -0.994 28 HD12 ILE 5 2HD1 ILE 5 -12.955 2.188 -1.478 29 HD13 ILE 5 3HD1 ILE 5 -12.976 0.781 -2.542 30 HA PRO 6 HA PRO 6 -9.387 0.322 2.917 31 HB3 PRO 6 2HB PRO 6 -9.096 0.114 5.187 32 HG3 PRO 6 2HG PRO 6 -9.204 -1.962 6.226 33 HD3 PRO 6 2HD PRO 6 -11.151 -2.033 4.996 34 HA PRO 7 HA PRO 7 -6.110 -0.787 0.203 35 HB3 PRO 7 2HB PRO 7 -5.539 1.437 0.122 36 HG3 PRO 7 2HG PRO 7 -5.642 2.772 2.023 37 HD3 PRO 7 2HD PRO 7 -7.734 1.806 2.102 38 H ILE 8 H ILE 8 -4.008 -1.771 0.024 39 HA ILE 8 HA ILE 8 -3.044 -2.969 2.538 40 HB ILE 8 HB ILE 8 -3.197 -4.303 -0.167 41 HG13 ILE 8 2HG1 ILE 8 -5.321 -4.012 1.281 42 HG21 ILE 8 1HG2 ILE 8 -1.262 -5.158 0.808 43 HG22 ILE 8 2HG2 ILE 8 -1.949 -5.124 2.430 44 HG23 ILE 8 3HG2 ILE 8 -2.503 -6.326 1.264 45 HD11 ILE 8 1HD1 ILE 8 -5.252 -6.856 1.076 46 HD12 ILE 8 2HD1 ILE 8 -6.127 -5.686 0.088 47 HD13 ILE 8 3HD1 ILE 8 -4.478 -6.144 -0.339 48 H CYS 9 H CYS 9 -1.168 -1.986 2.960 49 HA CYS 9 HA CYS 9 0.861 -1.940 0.835 50 HB3 CYS 9 2HB CYS 9 1.504 0.261 1.276 51 HA E9V 10 HA NHI 10 3.317 -3.088 4.304 52 HB2 E9V 10 2HB NHI 10 5.319 -3.140 2.041 53 HB3 E9V 10 3HB NHI 10 5.338 -4.126 3.500 54 HD1 E9V 10 1HD NHI 10 3.437 -5.982 3.665 55 HD2 E9V 10 2HD NHI 10 3.866 -4.165 -0.047 56 HE1 E9V 10 1HE NHI 10 2.226 -7.475 2.041 57 3HN E9V 10 3HN NHI 10 4.096 -2.022 0.906 58 H1 E9V 10 H NHI 10 3.504 -0.441 1.471 59 2HN E9V 10 2HN NHI 10 2.416 -1.532 0.581 60 H DPN 11 H DPH 11 3.335 -0.125 3.451 61 HA DPN 11 HA DPH 11 5.934 0.604 4.617 62 HB2 DPN 11 2HB DPH 11 4.168 0.703 6.355 63 HB3 DPN 11 3HB DPH 11 3.278 1.849 5.358 64 HD1 DPN 11 1HD DPH 11 6.775 1.457 6.612 65 HD2 DPN 11 2HD DPH 11 3.437 4.031 6.019 66 HE1 DPN 11 1HE DPH 11 8.025 3.311 7.641 67 HE2 DPN 11 2HE DPH 11 4.683 5.888 7.046 68 HZ DPN 11 HZ DPH 11 6.979 5.529 7.860 69 HA MMO 12 HA NAR 12 5.166 3.370 1.191 70 HCB1 MMO 12 2HB NAR 12 8.136 2.846 1.402 71 HCB2 MMO 12 3HB NAR 12 7.404 4.192 0.542 72 HCG1 MMO 12 2HG NAR 12 6.486 5.048 2.625 73 HCG2 MMO 12 3HG NAR 12 7.175 3.679 3.500 74 HCD1 MMO 12 2HD NAR 12 9.405 4.524 2.376 75 HCD2 MMO 12 3HD NAR 12 8.522 6.049 2.304 76 HH21 MMO 12 1HH2 NAR 12 9.577 5.847 6.593 77 HH22 MMO 12 2HH2 NAR 12 11.005 6.751 6.219 78 HH11 MMO 12 1HH1 NAR 12 10.660 6.418 2.756 79 HC1 MMO 12 2HN NAR 12 5.945 -0.343 2.226 80 HC2 MMO 12 3HN NAR 12 7.215 0.445 3.190 81 HC3 MMO 12 H NAR 12 7.287 0.496 1.413 82 HE MMO 12 HE NAR 12 8.318 4.985 4.897 83 HH12 MMO 12 2HH1 NAR 12 11.622 7.076 4.037 84 H TRP 13 H TRP 13 4.080 2.172 -0.364 85 HA TRP 13 HA TRP 13 5.736 1.298 -2.590 86 HB3 TRP 13 2HB TRP 13 4.093 -0.760 -2.736 87 HD1 TRP 13 HD TRP 13 5.931 -1.343 0.495 88 HE1 TRP 13 1HE TRP 13 8.135 -2.586 0.020 89 HE3 TRP 13 3HE TRP 13 6.007 -0.943 -4.602 90 HZ2 TRP 13 2HZ TRP 13 9.698 -3.300 -2.219 91 HZ3 TRP 13 3HZ TRP 13 7.892 -1.933 -5.835 92 HH2 TRP 13 HH TRP 13 9.699 -3.086 -4.666 93 H ARG 14 H ARG 14 4.335 0.764 -4.529 94 HA ARG 14 HA ARG 14 2.516 2.921 -4.948 95 HB3 ARG 14 2HB ARG 14 2.118 1.502 -7.145 96 HG3 ARG 14 2HG ARG 14 3.341 3.608 -7.137 97 HD3 ARG 14 2HD ARG 14 5.627 1.878 -6.220 98 HE ARG 14 HE ARG 14 6.873 3.277 -7.536 99 HH11 ARG 14 1HH2 ARG 14 7.693 5.291 -8.226 100 HH12 ARG 14 2HH2 ARG 14 6.869 6.746 -7.778 101 HH21 ARG 14 1HH1 ARG 14 4.359 5.111 -5.975 102 HH22 ARG 14 2HH1 ARG 14 4.973 6.645 -6.496 Start of MODEL 8 1 H1 CYS 1 H CYS 1 -0.345 2.396 -4.127 2 HA CYS 1 HA CYS 1 0.248 0.109 -2.377 3 HB3 CYS 1 2HB CYS 1 -1.970 0.734 -1.205 4 H THR 2 H THR 2 -2.073 -1.058 -2.033 5 HA THR 2 HA THR 2 -2.810 -1.902 -4.711 6 HB THR 2 HB THR 2 -4.130 -3.662 -3.537 7 HG1 THR 2 1HG THR 2 -4.478 -3.463 -1.464 8 HG21 THR 2 1HG2 THR 2 -2.218 -4.929 -2.751 9 HG22 THR 2 2HG2 THR 2 -1.267 -3.452 -2.599 10 HG23 THR 2 3HG2 THR 2 -1.771 -4.017 -4.191 11 H ALA 3 H ALA 3 -5.025 -2.120 -5.391 12 HA ALA 3 HA ALA 3 -6.607 0.184 -4.654 13 HB1 ALA 3 1HB ALA 3 -7.966 -0.328 -6.537 14 HB2 ALA 3 2HB ALA 3 -6.290 -0.599 -7.018 15 HB3 ALA 3 3HB ALA 3 -7.330 -1.970 -6.629 16 H SER 4 H SER 4 -6.518 -1.257 -2.430 17 HA SER 4 HA SER 4 -9.019 -2.805 -2.332 18 HB3 SER 4 2HB SER 4 -7.500 -4.253 -1.408 19 HG SER 4 HG SER 4 -5.938 -2.736 0.155 20 H ILE 5 H ILE 5 -10.122 -2.646 -0.107 21 HA ILE 5 HA ILE 5 -9.981 0.058 1.006 22 HB ILE 5 HB ILE 5 -12.561 -1.198 0.062 23 HG13 ILE 5 2HG1 ILE 5 -11.182 -0.331 -1.787 24 HG21 ILE 5 1HG2 ILE 5 -12.066 0.713 2.080 25 HG22 ILE 5 2HG2 ILE 5 -12.776 1.570 0.712 26 HG23 ILE 5 3HG2 ILE 5 -13.620 0.194 1.425 27 HD11 ILE 5 1HD1 ILE 5 -13.784 0.200 -1.486 28 HD12 ILE 5 2HD1 ILE 5 -13.153 1.846 -1.553 29 HD13 ILE 5 3HD1 ILE 5 -12.840 0.728 -2.880 30 HA PRO 6 HA PRO 6 -9.311 0.728 2.624 31 HB3 PRO 6 2HB PRO 6 -8.982 0.863 4.894 32 HG3 PRO 6 2HG PRO 6 -9.051 -1.037 6.233 33 HD3 PRO 6 2HD PRO 6 -11.017 -1.306 5.060 34 HA PRO 7 HA PRO 7 -6.061 -0.743 0.054 35 HB3 PRO 7 2HB PRO 7 -5.507 1.448 -0.357 36 HG3 PRO 7 2HG PRO 7 -5.594 3.044 1.333 37 HD3 PRO 7 2HD PRO 7 -7.677 2.090 1.581 38 H ILE 8 H ILE 8 -4.115 -1.912 -0.005 39 HA ILE 8 HA ILE 8 -3.076 -2.692 2.639 40 HB ILE 8 HB ILE 8 -3.204 -4.347 0.116 41 HG13 ILE 8 2HG1 ILE 8 -5.294 -3.848 1.684 42 HG21 ILE 8 1HG2 ILE 8 -2.597 -6.100 2.062 43 HG22 ILE 8 2HG2 ILE 8 -1.390 -5.304 1.054 44 HG23 ILE 8 3HG2 ILE 8 -1.751 -4.672 2.661 45 HD11 ILE 8 1HD1 ILE 8 -6.224 -5.416 0.442 46 HD12 ILE 8 2HD1 ILE 8 -4.621 -5.967 -0.047 47 HD13 ILE 8 3HD1 ILE 8 -5.402 -6.669 1.370 48 H CYS 9 H CYS 9 -1.132 -1.867 3.007 49 HA CYS 9 HA CYS 9 0.807 -1.807 0.790 50 HB3 CYS 9 2HB CYS 9 1.547 0.324 1.340 51 HA E9V 10 HA NHI 10 3.392 -3.347 4.006 52 HB2 E9V 10 2HB NHI 10 4.017 -4.262 1.628 53 HB3 E9V 10 3HB NHI 10 5.466 -3.286 1.845 54 HD1 E9V 10 1HD NHI 10 3.578 -5.903 3.874 55 HD2 E9V 10 2HD NHI 10 7.456 -4.690 3.002 56 HE1 E9V 10 1HE NHI 10 5.078 -7.536 5.062 57 3HN E9V 10 3HN NHI 10 4.039 -2.007 0.677 58 H1 E9V 10 H NHI 10 3.543 -0.464 1.412 59 2HN E9V 10 2HN NHI 10 2.366 -1.430 0.489 60 H DPN 11 H DPH 11 3.488 -0.322 3.418 61 HA DPN 11 HA DPH 11 6.172 0.204 4.501 62 HB2 DPN 11 2HB DPH 11 4.153 0.213 6.180 63 HB3 DPN 11 3HB DPH 11 3.824 1.790 5.469 64 HD1 DPN 11 1HD DPH 11 5.340 0.235 8.129 65 HD2 DPN 11 2HD DPH 11 6.100 3.254 5.226 66 HE1 DPN 11 1HE DPH 11 7.008 1.251 9.626 67 HE2 DPN 11 2HE DPH 11 7.768 4.275 6.718 68 HZ DPN 11 HZ DPH 11 8.224 3.274 8.923 69 HA MMO 12 HA NAR 12 5.351 3.292 1.378 70 HCB1 MMO 12 2HB NAR 12 8.304 2.679 1.200 71 HCB2 MMO 12 3HB NAR 12 7.506 4.194 0.798 72 HCG1 MMO 12 2HG NAR 12 6.756 4.107 3.308 73 HCG2 MMO 12 3HG NAR 12 8.153 3.038 3.461 74 HCD1 MMO 12 2HD NAR 12 8.791 5.327 3.942 75 HCD2 MMO 12 3HD NAR 12 9.573 4.773 2.463 76 HH21 MMO 12 1HH2 NAR 12 7.191 8.207 1.000 77 HH22 MMO 12 2HH2 NAR 12 8.371 9.317 1.610 78 HH11 MMO 12 1HH1 NAR 12 10.064 6.921 3.515 79 HC1 MMO 12 2HN NAR 12 7.358 0.331 1.232 80 HC2 MMO 12 3HN NAR 12 6.023 -0.525 2.039 81 HC3 MMO 12 H NAR 12 7.374 0.125 2.999 82 HE MMO 12 HE NAR 12 7.278 6.017 1.633 83 HH12 MMO 12 2HH1 NAR 12 10.006 8.586 3.039 84 H TRP 13 H TRP 13 4.136 2.294 -0.217 85 HA TRP 13 HA TRP 13 5.537 1.739 -2.660 86 HB3 TRP 13 2HB TRP 13 4.127 -0.524 -2.785 87 HD1 TRP 13 HD TRP 13 6.559 -1.450 -0.164 88 HE1 TRP 13 1HE TRP 13 8.792 -2.172 -1.218 89 HE3 TRP 13 3HE TRP 13 5.776 0.204 -4.937 90 HZ2 TRP 13 2HZ TRP 13 10.057 -2.055 -3.739 91 HZ3 TRP 13 3HZ TRP 13 7.548 -0.141 -6.610 92 HH2 TRP 13 HH TRP 13 9.643 -1.245 -6.021 93 H ARG 14 H ARG 14 4.257 2.019 -4.452 94 HA ARG 14 HA ARG 14 1.926 3.538 -4.197 95 HB3 ARG 14 2HB ARG 14 3.236 3.672 -6.206 96 HG3 ARG 14 2HG ARG 14 2.371 0.943 -7.068 97 HD3 ARG 14 2HD ARG 14 4.516 1.232 -8.410 98 HE ARG 14 HE ARG 14 2.009 2.527 -8.940 99 HH11 ARG 14 1HH2 ARG 14 1.439 2.865 -11.122 100 HH12 ARG 14 2HH2 ARG 14 2.650 2.728 -12.351 101 HH21 ARG 14 1HH1 ARG 14 5.233 1.955 -10.125 102 HH22 ARG 14 2HH1 ARG 14 4.809 2.209 -11.785 Start of MODEL 9 1 H1 CYS 1 H CYS 1 0.050 2.724 -3.536 2 HA CYS 1 HA CYS 1 0.250 0.101 -2.423 3 HB3 CYS 1 2HB CYS 1 -1.970 0.855 -1.301 4 H THR 2 H THR 2 -2.048 -1.035 -2.082 5 HA THR 2 HA THR 2 -2.852 -1.842 -4.752 6 HB THR 2 HB THR 2 -4.152 -3.609 -3.583 7 HG1 THR 2 1HG THR 2 -4.440 -3.501 -1.485 8 HG21 THR 2 1HG2 THR 2 -2.217 -4.859 -2.737 9 HG22 THR 2 2HG2 THR 2 -1.268 -3.371 -2.712 10 HG23 THR 2 3HG2 THR 2 -1.837 -4.030 -4.246 11 H ALA 3 H ALA 3 -5.061 -1.984 -5.421 12 HA ALA 3 HA ALA 3 -6.613 0.308 -4.585 13 HB1 ALA 3 1HB ALA 3 -7.744 0.108 -6.555 14 HB2 ALA 3 2HB ALA 3 -6.256 -0.732 -6.993 15 HB3 ALA 3 3HB ALA 3 -7.688 -1.654 -6.538 16 H SER 4 H SER 4 -6.530 -1.196 -2.413 17 HA SER 4 HA SER 4 -9.036 -2.736 -2.351 18 HB3 SER 4 2HB SER 4 -7.521 -4.215 -1.474 19 HG SER 4 HG SER 4 -5.950 -2.748 0.128 20 H ILE 5 H ILE 5 -10.133 -2.637 -0.122 21 HA ILE 5 HA ILE 5 -9.982 0.034 1.067 22 HB ILE 5 HB ILE 5 -12.569 -1.186 0.098 23 HG13 ILE 5 2HG1 ILE 5 -11.207 -0.288 -1.739 24 HG21 ILE 5 1HG2 ILE 5 -12.756 1.569 0.821 25 HG22 ILE 5 2HG2 ILE 5 -13.622 0.186 1.487 26 HG23 ILE 5 3HG2 ILE 5 -12.064 0.661 2.165 27 HD11 ILE 5 1HD1 ILE 5 -13.250 1.831 -1.272 28 HD12 ILE 5 2HD1 ILE 5 -12.789 1.023 -2.770 29 HD13 ILE 5 3HD1 ILE 5 -13.751 0.167 -1.566 30 HA PRO 6 HA PRO 6 -9.307 0.655 2.703 31 HB3 PRO 6 2HB PRO 6 -8.973 0.727 4.975 32 HG3 PRO 6 2HG PRO 6 -9.044 -1.210 6.259 33 HD3 PRO 6 2HD PRO 6 -11.013 -1.441 5.084 34 HA PRO 7 HA PRO 7 -6.068 -0.753 0.083 35 HB3 PRO 7 2HB PRO 7 -5.512 1.447 -0.271 36 HG3 PRO 7 2HG PRO 7 -5.591 2.999 1.459 37 HD3 PRO 7 2HD PRO 7 -7.674 2.041 1.689 38 H ILE 8 H ILE 8 -4.119 -1.918 -0.012 39 HA ILE 8 HA ILE 8 -3.077 -2.774 2.608 40 HB ILE 8 HB ILE 8 -3.208 -4.353 0.036 41 HG13 ILE 8 2HG1 ILE 8 -5.294 -3.903 1.620 42 HG21 ILE 8 1HG2 ILE 8 -1.776 -4.770 2.589 43 HG22 ILE 8 2HG2 ILE 8 -2.587 -6.174 1.896 44 HG23 ILE 8 3HG2 ILE 8 -1.371 -5.306 0.959 45 HD11 ILE 8 1HD1 ILE 8 -6.259 -5.471 0.399 46 HD12 ILE 8 2HD1 ILE 8 -4.663 -5.910 -0.214 47 HD13 ILE 8 3HD1 ILE 8 -5.326 -6.737 1.195 48 H CYS 9 H CYS 9 -1.155 -1.898 2.986 49 HA CYS 9 HA CYS 9 0.805 -1.831 0.792 50 HB3 CYS 9 2HB CYS 9 1.528 0.314 1.343 51 HA E9V 10 HA NHI 10 3.370 -3.306 4.051 52 HB2 E9V 10 2HB NHI 10 5.321 -3.223 1.749 53 HB3 E9V 10 3HB NHI 10 5.288 -4.364 3.090 54 HD1 E9V 10 1HD NHI 10 5.088 -4.989 -0.071 55 HD2 E9V 10 2HD NHI 10 2.009 -5.076 2.718 56 HE1 E9V 10 1HE NHI 10 3.343 -6.517 -1.042 57 3HN E9V 10 3HN NHI 10 4.038 -2.003 0.714 58 H1 E9V 10 H NHI 10 3.520 -0.455 1.420 59 2HN E9V 10 2HN NHI 10 2.362 -1.445 0.500 60 H DPN 11 H DPH 11 3.440 -0.285 3.423 61 HA DPN 11 HA DPH 11 6.096 0.284 4.549 62 HB2 DPN 11 2HB DPH 11 4.412 0.311 6.355 63 HB3 DPN 11 3HB DPH 11 3.493 1.522 5.467 64 HD1 DPN 11 1HD DPH 11 7.145 1.210 6.131 65 HD2 DPN 11 2HD DPH 11 3.587 3.482 6.672 66 HE1 DPN 11 1HE DPH 11 8.450 2.990 7.218 67 HE2 DPN 11 2HE DPH 11 4.886 5.265 7.761 68 HZ DPN 11 HZ DPH 11 7.322 5.021 8.034 69 HA MMO 12 HA NAR 12 5.311 3.315 1.359 70 HCB1 MMO 12 2HB NAR 12 8.261 2.679 1.511 71 HCB2 MMO 12 3HB NAR 12 7.591 4.061 0.655 72 HCG1 MMO 12 2HG NAR 12 6.931 3.669 3.534 73 HCG2 MMO 12 3HG NAR 12 8.506 4.323 3.079 74 HCD1 MMO 12 2HD NAR 12 7.125 6.197 3.414 75 HCD2 MMO 12 3HD NAR 12 7.236 6.003 1.665 76 HH21 MMO 12 1HH2 NAR 12 2.895 5.495 2.292 77 HH22 MMO 12 2HH2 NAR 12 2.759 7.038 1.517 78 HH11 MMO 12 1HH1 NAR 12 6.201 7.655 1.492 79 HC1 MMO 12 2HN NAR 12 6.011 -0.486 2.098 80 HC2 MMO 12 3HN NAR 12 7.332 0.197 3.074 81 HC3 MMO 12 H NAR 12 7.351 0.375 1.304 82 HE MMO 12 HE NAR 12 4.959 4.701 2.852 83 HH12 MMO 12 2HH1 NAR 12 4.638 8.266 1.062 84 H TRP 13 H TRP 13 4.140 2.272 -0.242 85 HA TRP 13 HA TRP 13 5.605 1.687 -2.645 86 HB3 TRP 13 2HB TRP 13 4.211 -0.582 -2.768 87 HD1 TRP 13 HD TRP 13 6.534 -1.521 -0.078 88 HE1 TRP 13 1HE TRP 13 8.814 -2.225 -1.042 89 HE3 TRP 13 3HE TRP 13 5.965 0.210 -4.854 90 HZ2 TRP 13 2HZ TRP 13 10.190 -2.066 -3.502 91 HZ3 TRP 13 3HZ TRP 13 7.809 -0.104 -6.450 92 HH2 TRP 13 HH TRP 13 9.878 -1.220 -5.786 93 H ARG 14 H ARG 14 4.358 1.895 -4.479 94 HA ARG 14 HA ARG 14 2.041 3.440 -4.331 95 HB3 ARG 14 2HB ARG 14 3.373 3.464 -6.327 96 HG3 ARG 14 2HG ARG 14 2.504 0.685 -7.025 97 HD3 ARG 14 2HD ARG 14 3.389 2.474 -8.684 98 HE ARG 14 HE ARG 14 5.596 2.468 -7.046 99 HH11 ARG 14 1HH2 ARG 14 7.666 3.120 -7.744 100 HH12 ARG 14 2HH2 ARG 14 8.065 3.033 -9.427 101 HH21 ARG 14 1HH1 ARG 14 4.949 1.778 -10.396 102 HH22 ARG 14 2HH1 ARG 14 6.519 2.272 -10.936 Start of MODEL 10 1 H1 CYS 1 H CYS 1 0.361 2.556 -4.007 2 HA CYS 1 HA CYS 1 0.291 0.137 -2.371 3 HB3 CYS 1 2HB CYS 1 -1.884 1.411 -1.547 4 H THR 2 H THR 2 -1.907 -0.903 -2.106 5 HA THR 2 HA THR 2 -2.901 -1.580 -4.748 6 HB THR 2 HB THR 2 -4.111 -3.383 -3.658 7 HG1 THR 2 1HG THR 2 -4.658 -2.271 -1.716 8 HG21 THR 2 1HG2 THR 2 -1.475 -3.322 -3.972 9 HG22 THR 2 2HG2 THR 2 -2.288 -4.694 -3.220 10 HG23 THR 2 3HG2 THR 2 -1.512 -3.471 -2.216 11 H ALA 3 H ALA 3 -5.031 -1.383 -5.431 12 HA ALA 3 HA ALA 3 -6.487 0.821 -4.255 13 HB1 ALA 3 1HB ALA 3 -7.051 -0.873 -6.685 14 HB2 ALA 3 2HB ALA 3 -8.001 0.530 -6.191 15 HB3 ALA 3 3HB ALA 3 -6.311 0.729 -6.656 16 H SER 4 H SER 4 -6.521 -0.975 -2.334 17 HA SER 4 HA SER 4 -9.079 -2.413 -2.540 18 HB3 SER 4 2HB SER 4 -7.562 -4.031 -1.887 19 HG SER 4 HG SER 4 -5.736 -3.631 -0.751 20 H ILE 5 H ILE 5 -10.222 -2.593 -0.337 21 HA ILE 5 HA ILE 5 -10.019 -0.115 1.209 22 HB ILE 5 HB ILE 5 -12.642 -1.130 0.110 23 HG13 ILE 5 2HG1 ILE 5 -11.216 -0.124 -1.640 24 HG21 ILE 5 1HG2 ILE 5 -13.508 1.017 1.007 25 HG22 ILE 5 2HG2 ILE 5 -12.926 -0.086 2.252 26 HG23 ILE 5 3HG2 ILE 5 -11.938 1.290 1.762 27 HD11 ILE 5 1HD1 ILE 5 -12.781 1.249 -2.590 28 HD12 ILE 5 2HD1 ILE 5 -13.767 0.367 -1.422 29 HD13 ILE 5 3HD1 ILE 5 -13.214 2.000 -1.054 30 HA PRO 6 HA PRO 6 -9.399 0.295 2.933 31 HB3 PRO 6 2HB PRO 6 -9.119 0.066 5.201 32 HG3 PRO 6 2HG PRO 6 -9.231 -2.020 6.220 33 HD3 PRO 6 2HD PRO 6 -11.171 -2.081 4.979 34 HA PRO 7 HA PRO 7 -6.111 -0.789 0.221 35 HB3 PRO 7 2HB PRO 7 -5.549 1.437 0.153 36 HG3 PRO 7 2HG PRO 7 -5.665 2.763 2.060 37 HD3 PRO 7 2HD PRO 7 -7.753 1.789 2.126 38 H ILE 8 H ILE 8 -4.015 -1.775 0.042 39 HA ILE 8 HA ILE 8 -3.045 -2.970 2.556 40 HB ILE 8 HB ILE 8 -3.238 -4.302 -0.149 41 HG13 ILE 8 2HG1 ILE 8 -4.822 -5.799 0.912 42 HG21 ILE 8 1HG2 ILE 8 -2.521 -6.311 1.398 43 HG22 ILE 8 2HG2 ILE 8 -1.320 -5.249 0.662 44 HG23 ILE 8 3HG2 ILE 8 -1.786 -5.020 2.347 45 HD11 ILE 8 1HD1 ILE 8 -5.568 -4.606 3.289 46 HD12 ILE 8 2HD1 ILE 8 -4.726 -6.145 3.098 47 HD13 ILE 8 3HD1 ILE 8 -3.808 -4.664 3.368 48 H CYS 9 H CYS 9 -1.170 -1.986 2.973 49 HA CYS 9 HA CYS 9 0.857 -1.944 0.843 50 HB3 CYS 9 2HB CYS 9 1.503 0.257 1.282 51 HA E9V 10 HA NHI 10 3.318 -3.078 4.314 52 HB2 E9V 10 2HB NHI 10 5.355 -3.123 2.085 53 HB3 E9V 10 3HB NHI 10 5.308 -4.145 3.519 54 HD1 E9V 10 1HD NHI 10 2.431 -5.146 3.421 55 HD2 E9V 10 2HD NHI 10 4.891 -4.896 0.083 56 HE1 E9V 10 1HE NHI 10 1.485 -6.784 1.762 57 3HN E9V 10 3HN NHI 10 4.091 -2.026 0.911 58 H1 E9V 10 H NHI 10 3.499 -0.443 1.469 59 2HN E9V 10 2HN NHI 10 2.411 -1.539 0.585 60 H DPN 11 H DPH 11 3.330 -0.117 3.450 61 HA DPN 11 HA DPH 11 5.925 0.624 4.617 62 HB2 DPN 11 2HB DPH 11 4.227 0.749 6.380 63 HB3 DPN 11 3HB DPH 11 3.236 1.792 5.365 64 HD1 DPN 11 1HD DPH 11 6.851 1.757 6.298 65 HD2 DPN 11 2HD DPH 11 3.195 3.934 6.171 66 HE1 DPN 11 1HE DPH 11 7.998 3.730 7.217 67 HE2 DPN 11 2HE DPH 11 4.335 5.910 7.090 68 HZ DPN 11 HZ DPH 11 6.740 5.812 7.613 69 HA MMO 12 HA NAR 12 5.159 3.371 1.177 70 HCB1 MMO 12 2HB NAR 12 8.135 2.861 1.336 71 HCB2 MMO 12 3HB NAR 12 7.363 4.239 0.562 72 HCG1 MMO 12 2HG NAR 12 6.420 4.865 2.784 73 HCG2 MMO 12 3HG NAR 12 7.396 3.579 3.496 74 HCD1 MMO 12 2HD NAR 12 8.687 5.511 3.773 75 HCD2 MMO 12 3HD NAR 12 9.389 4.710 2.369 76 HH21 MMO 12 1HH2 NAR 12 7.865 8.556 0.686 77 HH22 MMO 12 2HH2 NAR 12 6.893 9.313 1.903 78 HH11 MMO 12 1HH1 NAR 12 7.125 6.647 4.155 79 HC1 MMO 12 2HN NAR 12 7.212 0.460 3.192 80 HC2 MMO 12 3HN NAR 12 7.285 0.504 1.415 81 HC3 MMO 12 H NAR 12 5.943 -0.335 2.229 82 HE MMO 12 HE NAR 12 8.718 6.474 1.063 83 HH12 MMO 12 2HH1 NAR 12 6.473 8.228 3.877 84 H TRP 13 H TRP 13 4.079 2.162 -0.373 85 HA TRP 13 HA TRP 13 5.744 1.275 -2.589 86 HB3 TRP 13 2HB TRP 13 4.086 -0.774 -2.731 87 HD1 TRP 13 HD TRP 13 5.928 -1.344 0.501 88 HE1 TRP 13 1HE TRP 13 8.122 -2.607 0.030 89 HE3 TRP 13 3HE TRP 13 5.988 -0.991 -4.599 90 HZ2 TRP 13 2HZ TRP 13 9.672 -3.354 -2.209 91 HZ3 TRP 13 3HZ TRP 13 7.861 -2.007 -5.829 92 HH2 TRP 13 HH TRP 13 9.664 -3.162 -4.658 93 H ARG 14 H ARG 14 4.338 0.719 -4.528 94 HA ARG 14 HA ARG 14 2.545 2.891 -4.978 95 HB3 ARG 14 2HB ARG 14 2.208 1.787 -7.208 96 HG3 ARG 14 2HG ARG 14 4.761 1.754 -7.790 97 HD3 ARG 14 2HD ARG 14 3.495 4.289 -6.764 98 HE ARG 14 HE ARG 14 5.775 3.813 -8.445 99 HH11 ARG 14 1HH2 ARG 14 6.880 5.635 -9.259 100 HH12 ARG 14 2HH2 ARG 14 6.119 7.190 -9.198 101 HH21 ARG 14 1HH1 ARG 14 3.190 6.018 -7.688 102 HH22 ARG 14 2HH1 ARG 14 4.021 7.408 -8.304 Start of MODEL 11 1 H1 CYS 1 H CYS 1 0.470 2.679 -3.546 2 HA CYS 1 HA CYS 1 0.279 0.125 -2.391 3 HB3 CYS 1 2HB CYS 1 -1.923 1.175 -1.427 4 H THR 2 H THR 2 -1.955 -0.958 -2.104 5 HA THR 2 HA THR 2 -2.870 -1.678 -4.763 6 HB THR 2 HB THR 2 -4.176 -3.439 -3.590 7 HG1 THR 2 1HG THR 2 -2.809 -2.740 -1.217 8 HG21 THR 2 1HG2 THR 2 -2.259 -4.773 -2.889 9 HG22 THR 2 2HG2 THR 2 -1.265 -3.320 -2.790 10 HG23 THR 2 3HG2 THR 2 -1.875 -3.867 -4.352 11 H ALA 3 H ALA 3 -5.038 -1.630 -5.442 12 HA ALA 3 HA ALA 3 -6.538 0.612 -4.404 13 HB1 ALA 3 1HB ALA 3 -8.078 0.115 -6.297 14 HB2 ALA 3 2HB ALA 3 -6.405 0.392 -6.785 15 HB3 ALA 3 3HB ALA 3 -7.045 -1.251 -6.719 16 H SER 4 H SER 4 -6.515 -1.047 -2.363 17 HA SER 4 HA SER 4 -9.039 -2.556 -2.446 18 HB3 SER 4 2HB SER 4 -7.552 -4.114 -1.661 19 HG SER 4 HG SER 4 -5.730 -2.721 -1.728 20 H ILE 5 H ILE 5 -10.165 -2.607 -0.229 21 HA ILE 5 HA ILE 5 -10.000 -0.033 1.154 22 HB ILE 5 HB ILE 5 -11.713 0.411 -0.444 23 HG13 ILE 5 2HG1 ILE 5 -12.122 1.036 1.966 24 HG21 ILE 5 1HG2 ILE 5 -12.821 -1.258 -1.397 25 HG22 ILE 5 2HG2 ILE 5 -12.265 -2.380 -0.155 26 HG23 ILE 5 3HG2 ILE 5 -13.746 -1.456 0.091 27 HD11 ILE 5 1HD1 ILE 5 -13.750 2.207 1.025 28 HD12 ILE 5 2HD1 ILE 5 -14.096 0.930 -0.142 29 HD13 ILE 5 3HD1 ILE 5 -14.829 0.882 1.461 30 HA PRO 6 HA PRO 6 -9.338 0.461 2.838 31 HB3 PRO 6 2HB PRO 6 -9.027 0.364 5.112 32 HG3 PRO 6 2HG PRO 6 -9.132 -1.661 6.252 33 HD3 PRO 6 2HD PRO 6 -11.090 -1.785 5.041 34 HA PRO 7 HA PRO 7 -6.085 -0.788 0.156 35 HB3 PRO 7 2HB PRO 7 -5.508 1.428 -0.036 36 HG3 PRO 7 2HG PRO 7 -5.592 2.853 1.799 37 HD3 PRO 7 2HD PRO 7 -7.685 1.899 1.941 38 H ILE 8 H ILE 8 -4.038 -1.844 0.001 39 HA ILE 8 HA ILE 8 -3.055 -2.920 2.563 40 HB ILE 8 HB ILE 8 -3.109 -4.362 -0.089 41 HG13 ILE 8 2HG1 ILE 8 -4.856 -5.755 0.882 42 HG21 ILE 8 1HG2 ILE 8 -2.625 -6.325 1.534 43 HG22 ILE 8 2HG2 ILE 8 -1.306 -5.260 1.051 44 HG23 ILE 8 3HG2 ILE 8 -2.070 -5.057 2.627 45 HD11 ILE 8 1HD1 ILE 8 -5.048 -5.906 3.086 46 HD12 ILE 8 2HD1 ILE 8 -4.132 -4.421 3.343 47 HD13 ILE 8 3HD1 ILE 8 -5.863 -4.344 3.026 48 H CYS 9 H CYS 9 -1.173 -1.947 2.966 49 HA CYS 9 HA CYS 9 0.844 -1.912 0.823 50 HB3 CYS 9 2HB CYS 9 1.508 0.271 1.291 51 HA E9V 10 HA NHI 10 3.331 -3.170 4.233 52 HB2 E9V 10 2HB NHI 10 5.313 -3.185 1.950 53 HB3 E9V 10 3HB NHI 10 5.322 -4.217 3.379 54 HD1 E9V 10 1HD NHI 10 2.313 -5.056 3.287 55 HD2 E9V 10 2HD NHI 10 4.917 -5.117 0.049 56 HE1 E9V 10 1HE NHI 10 1.347 -6.730 1.679 57 3HN E9V 10 3HN NHI 10 4.079 -2.025 0.851 58 H1 E9V 10 H NHI 10 3.509 -0.453 1.465 59 2HN E9V 10 2HN NHI 10 2.401 -1.511 0.561 60 H DPN 11 H DPH 11 3.368 -0.187 3.456 61 HA DPN 11 HA DPH 11 5.991 0.488 4.602 62 HB2 DPN 11 2HB DPH 11 4.273 0.562 6.377 63 HB3 DPN 11 3HB DPH 11 3.350 1.715 5.419 64 HD1 DPN 11 1HD DPH 11 6.895 1.355 6.542 65 HD2 DPN 11 2HD DPH 11 3.486 3.875 6.152 66 HE1 DPN 11 1HE DPH 11 8.149 3.205 7.569 67 HE2 DPN 11 2HE DPH 11 4.736 5.729 7.180 68 HZ DPN 11 HZ DPH 11 7.069 5.395 7.890 69 HA MMO 12 HA NAR 12 5.200 3.350 1.262 70 HCB1 MMO 12 2HB NAR 12 8.167 2.784 1.401 71 HCB2 MMO 12 3HB NAR 12 7.434 4.166 0.598 72 HCG1 MMO 12 2HG NAR 12 6.370 4.514 3.004 73 HCG2 MMO 12 3HG NAR 12 7.819 3.628 3.483 74 HCD1 MMO 12 2HD NAR 12 8.354 5.943 3.557 75 HCD2 MMO 12 3HD NAR 12 9.154 5.269 2.139 76 HH21 MMO 12 1HH2 NAR 12 6.312 8.229 0.378 77 HH22 MMO 12 2HH2 NAR 12 5.117 8.606 1.573 78 HH11 MMO 12 1HH1 NAR 12 6.358 6.351 3.940 79 HC1 MMO 12 2HN NAR 12 7.248 0.349 3.149 80 HC2 MMO 12 3HN NAR 12 7.293 0.449 1.373 81 HC3 MMO 12 H NAR 12 5.953 -0.399 2.182 82 HE MMO 12 HE NAR 12 7.906 6.664 0.837 83 HH12 MMO 12 2HH1 NAR 12 5.142 7.538 3.599 84 H TRP 13 H TRP 13 4.072 2.208 -0.303 85 HA TRP 13 HA TRP 13 5.662 1.404 -2.595 86 HB3 TRP 13 2HB TRP 13 4.075 -0.685 -2.758 87 HD1 TRP 13 HD TRP 13 5.924 -1.367 0.431 88 HE1 TRP 13 1HE TRP 13 8.162 -2.526 -0.092 89 HE3 TRP 13 3HE TRP 13 6.019 -0.700 -4.636 90 HZ2 TRP 13 2HZ TRP 13 9.756 -3.085 -2.353 91 HZ3 TRP 13 3HZ TRP 13 7.936 -1.575 -5.905 92 HH2 TRP 13 HH TRP 13 9.765 -2.742 -4.785 93 H ARG 14 H ARG 14 4.312 1.063 -4.538 94 HA ARG 14 HA ARG 14 2.368 3.127 -4.769 95 HB3 ARG 14 2HB ARG 14 2.054 2.157 -7.087 96 HG3 ARG 14 2HG ARG 14 4.947 2.595 -6.396 97 HD3 ARG 14 2HD ARG 14 3.343 3.219 -8.874 98 HE ARG 14 HE ARG 14 6.196 3.310 -9.055 99 HH11 ARG 14 1HH2 ARG 14 7.181 5.325 -9.469 100 HH12 ARG 14 2HH2 ARG 14 6.273 6.780 -9.235 101 HH21 ARG 14 1HH1 ARG 14 3.363 5.143 -8.198 102 HH22 ARG 14 2HH1 ARG 14 4.102 6.678 -8.510 Start of MODEL 12 1 H1 CYS 1 H CYS 1 0.060 2.465 -4.159 2 HA CYS 1 HA CYS 1 0.270 0.119 -2.386 3 HB3 CYS 1 2HB CYS 1 -1.932 1.168 -1.423 4 H THR 2 H THR 2 -1.961 -0.967 -2.109 5 HA THR 2 HA THR 2 -2.871 -1.677 -4.773 6 HB THR 2 HB THR 2 -4.179 -3.443 -3.605 7 HG1 THR 2 1HG THR 2 -2.807 -2.727 -1.236 8 HG21 THR 2 1HG2 THR 2 -2.375 -4.835 -3.405 9 HG22 THR 2 2HG2 THR 2 -1.439 -3.666 -2.474 10 HG23 THR 2 3HG2 THR 2 -1.594 -3.480 -4.221 11 H ALA 3 H ALA 3 -5.046 -1.645 -5.446 12 HA ALA 3 HA ALA 3 -6.545 0.599 -4.413 13 HB1 ALA 3 1HB ALA 3 -8.018 0.241 -6.311 14 HB2 ALA 3 2HB ALA 3 -6.332 0.235 -6.830 15 HB3 ALA 3 3HB ALA 3 -7.211 -1.286 -6.671 16 H SER 4 H SER 4 -6.514 -1.052 -2.366 17 HA SER 4 HA SER 4 -9.037 -2.562 -2.435 18 HB3 SER 4 2HB SER 4 -7.546 -4.117 -1.649 19 HG SER 4 HG SER 4 -5.586 -3.461 -1.332 20 H ILE 5 H ILE 5 -10.156 -2.607 -0.216 21 HA ILE 5 HA ILE 5 -9.989 -0.027 1.157 22 HB ILE 5 HB ILE 5 -11.708 0.408 -0.437 23 HG13 ILE 5 2HG1 ILE 5 -12.074 0.774 2.164 24 HG21 ILE 5 1HG2 ILE 5 -12.821 -1.265 -1.379 25 HG22 ILE 5 2HG2 ILE 5 -12.253 -2.382 -0.140 26 HG23 ILE 5 3HG2 ILE 5 -13.735 -1.465 0.116 27 HD11 ILE 5 1HD1 ILE 5 -13.156 2.432 1.125 28 HD12 ILE 5 2HD1 ILE 5 -13.793 1.371 -0.131 29 HD13 ILE 5 3HD1 ILE 5 -14.585 1.451 1.444 30 HA PRO 6 HA PRO 6 -9.322 0.475 2.836 31 HB3 PRO 6 2HB PRO 6 -9.004 0.388 5.110 32 HG3 PRO 6 2HG PRO 6 -9.101 -1.632 6.259 33 HD3 PRO 6 2HD PRO 6 -11.062 -1.765 5.056 34 HA PRO 7 HA PRO 7 -6.077 -0.780 0.146 35 HB3 PRO 7 2HB PRO 7 -5.503 1.435 -0.055 36 HG3 PRO 7 2HG PRO 7 -5.581 2.867 1.775 37 HD3 PRO 7 2HD PRO 7 -7.674 1.913 1.927 38 H ILE 8 H ILE 8 -4.058 -1.867 -0.012 39 HA ILE 8 HA ILE 8 -3.058 -2.926 2.551 40 HB ILE 8 HB ILE 8 -3.094 -4.369 -0.102 41 HG13 ILE 8 2HG1 ILE 8 -5.356 -4.016 0.929 42 HG21 ILE 8 1HG2 ILE 8 -1.503 -5.599 0.863 43 HG22 ILE 8 2HG2 ILE 8 -1.769 -4.852 2.437 44 HG23 ILE 8 3HG2 ILE 8 -2.771 -6.210 1.927 45 HD11 ILE 8 1HD1 ILE 8 -6.152 -6.146 0.569 46 HD12 ILE 8 2HD1 ILE 8 -4.654 -6.142 -0.360 47 HD13 ILE 8 3HD1 ILE 8 -4.706 -6.911 1.226 48 H CYS 9 H CYS 9 -1.175 -1.960 2.958 49 HA CYS 9 HA CYS 9 0.840 -1.915 0.817 50 HB3 CYS 9 2HB CYS 9 1.502 0.268 1.290 51 HA E9V 10 HA NHI 10 3.328 -3.179 4.224 52 HB2 E9V 10 2HB NHI 10 4.153 -4.048 1.789 53 HB3 E9V 10 3HB NHI 10 5.609 -3.231 2.348 54 HD1 E9V 10 1HD NHI 10 6.485 -4.084 4.784 55 HD2 E9V 10 2HD NHI 10 3.848 -6.568 2.752 56 HE1 E9V 10 1HE NHI 10 6.727 -6.345 5.859 57 3HN E9V 10 3HN NHI 10 4.076 -2.025 0.847 58 H1 E9V 10 H NHI 10 3.506 -0.456 1.465 59 2HN E9V 10 2HN NHI 10 2.398 -1.511 0.556 60 H DPN 11 H DPH 11 3.363 -0.194 3.456 61 HA DPN 11 HA DPH 11 5.984 0.479 4.605 62 HB2 DPN 11 2HB DPH 11 3.906 0.520 6.208 63 HB3 DPN 11 3HB DPH 11 3.552 2.040 5.391 64 HD1 DPN 11 1HD DPH 11 4.922 0.782 8.235 65 HD2 DPN 11 2HD DPH 11 5.882 3.489 5.093 66 HE1 DPN 11 1HE DPH 11 6.498 1.945 9.724 67 HE2 DPN 11 2HE DPH 11 7.460 4.656 6.577 68 HZ DPN 11 HZ DPH 11 7.770 3.885 8.896 69 HA MMO 12 HA NAR 12 5.187 3.351 1.274 70 HCB1 MMO 12 2HB NAR 12 8.162 2.809 1.323 71 HCB2 MMO 12 3HB NAR 12 7.374 4.237 0.667 72 HCG1 MMO 12 2HG NAR 12 6.423 4.410 3.122 73 HCG2 MMO 12 3HG NAR 12 7.868 3.466 3.489 74 HCD1 MMO 12 2HD NAR 12 9.136 5.217 2.128 75 HCD2 MMO 12 3HD NAR 12 7.674 6.194 2.249 76 HH21 MMO 12 1HH2 NAR 12 9.471 6.560 6.319 77 HH22 MMO 12 2HH2 NAR 12 10.760 5.409 6.431 78 HH11 MMO 12 1HH1 NAR 12 10.149 3.990 3.294 79 HC1 MMO 12 2HN NAR 12 5.950 -0.398 2.187 80 HC2 MMO 12 3HN NAR 12 7.242 0.353 3.153 81 HC3 MMO 12 H NAR 12 7.286 0.454 1.376 82 HE MMO 12 HE NAR 12 8.164 6.605 4.451 83 HH12 MMO 12 2HH1 NAR 12 11.147 3.948 4.708 84 H TRP 13 H TRP 13 4.067 2.214 -0.298 85 HA TRP 13 HA TRP 13 5.662 1.423 -2.592 86 HB3 TRP 13 2HB TRP 13 4.068 -0.671 -2.753 87 HD1 TRP 13 HD TRP 13 6.014 -1.304 0.405 88 HE1 TRP 13 1HE TRP 13 8.231 -2.477 -0.170 89 HE3 TRP 13 3HE TRP 13 5.930 -0.753 -4.677 90 HZ2 TRP 13 2HZ TRP 13 9.744 -3.087 -2.473 91 HZ3 TRP 13 3HZ TRP 13 7.801 -1.659 -5.992 92 HH2 TRP 13 HH TRP 13 9.669 -2.801 -4.911 93 H ARG 14 H ARG 14 4.309 1.073 -4.534 94 HA ARG 14 HA ARG 14 2.357 3.131 -4.762 95 HB3 ARG 14 2HB ARG 14 2.041 2.152 -7.080 96 HG3 ARG 14 2HG ARG 14 4.849 2.799 -6.213 97 HD3 ARG 14 2HD ARG 14 4.765 1.609 -8.387 98 HE ARG 14 HE ARG 14 2.638 3.418 -8.979 99 HH11 ARG 14 1HH2 ARG 14 1.695 3.333 -11.055 100 HH12 ARG 14 2HH2 ARG 14 2.536 2.536 -12.340 101 HH21 ARG 14 1HH1 ARG 14 5.289 1.646 -10.376 102 HH22 ARG 14 2HH1 ARG 14 4.581 1.575 -11.956 Start of MODEL 13 1 H1 CYS 1 H CYS 1 0.122 2.606 -3.952 2 HA CYS 1 HA CYS 1 0.267 0.124 -2.402 3 HB3 CYS 1 2HB CYS 1 -1.942 1.155 -1.436 4 H THR 2 H THR 2 -1.963 -0.971 -2.133 5 HA THR 2 HA THR 2 -2.865 -1.674 -4.801 6 HB THR 2 HB THR 2 -4.152 -3.460 -3.660 7 HG1 THR 2 1HG THR 2 -2.848 -2.775 -1.253 8 HG21 THR 2 1HG2 THR 2 -2.119 -4.648 -2.680 9 HG22 THR 2 2HG2 THR 2 -1.216 -3.181 -3.062 10 HG23 THR 2 3HG2 THR 2 -1.989 -4.103 -4.352 11 H ALA 3 H ALA 3 -5.054 -1.675 -5.459 12 HA ALA 3 HA ALA 3 -6.556 0.575 -4.442 13 HB1 ALA 3 1HB ALA 3 -7.175 -1.336 -6.691 14 HB2 ALA 3 2HB ALA 3 -8.066 0.140 -6.321 15 HB3 ALA 3 3HB ALA 3 -6.385 0.234 -6.844 16 H SER 4 H SER 4 -6.501 -1.058 -2.378 17 HA SER 4 HA SER 4 -9.020 -2.576 -2.412 18 HB3 SER 4 2HB SER 4 -7.518 -4.120 -1.625 19 HG SER 4 HG SER 4 -5.937 -2.763 0.064 20 H ILE 5 H ILE 5 -10.121 -2.605 -0.184 21 HA ILE 5 HA ILE 5 -9.950 -0.013 1.167 22 HB ILE 5 HB ILE 5 -11.678 0.409 -0.421 23 HG13 ILE 5 2HG1 ILE 5 -12.032 0.902 2.110 24 HG21 ILE 5 1HG2 ILE 5 -12.800 -1.269 -1.342 25 HG22 ILE 5 2HG2 ILE 5 -12.218 -2.378 -0.101 26 HG23 ILE 5 3HG2 ILE 5 -13.701 -1.461 0.161 27 HD11 ILE 5 1HD1 ILE 5 -14.569 1.414 1.603 28 HD12 ILE 5 2HD1 ILE 5 -13.264 2.353 0.875 29 HD13 ILE 5 3HD1 ILE 5 -14.053 1.074 -0.048 30 HA PRO 6 HA PRO 6 -9.275 0.503 2.838 31 HB3 PRO 6 2HB PRO 6 -8.944 0.434 5.110 32 HG3 PRO 6 2HG PRO 6 -9.032 -1.576 6.275 33 HD3 PRO 6 2HD PRO 6 -11.001 -1.721 5.084 34 HA PRO 7 HA PRO 7 -6.044 -0.768 0.141 35 HB3 PRO 7 2HB PRO 7 -5.474 1.446 -0.084 36 HG3 PRO 7 2HG PRO 7 -5.546 2.893 1.736 37 HD3 PRO 7 2HD PRO 7 -7.636 1.936 1.907 38 H ILE 8 H ILE 8 -4.111 -1.945 -0.023 39 HA ILE 8 HA ILE 8 -3.074 -2.959 2.544 40 HB ILE 8 HB ILE 8 -3.206 -4.381 -0.118 41 HG13 ILE 8 2HG1 ILE 8 -5.296 -4.014 1.486 42 HG21 ILE 8 1HG2 ILE 8 -1.457 -5.518 0.690 43 HG22 ILE 8 2HG2 ILE 8 -1.679 -4.884 2.320 44 HG23 ILE 8 3HG2 ILE 8 -2.628 -6.267 1.775 45 HD11 ILE 8 1HD1 ILE 8 -5.093 -6.853 0.765 46 HD12 ILE 8 2HD1 ILE 8 -6.339 -5.664 0.383 47 HD13 ILE 8 3HD1 ILE 8 -4.845 -5.708 -0.552 48 H CYS 9 H CYS 9 -1.203 -1.961 2.949 49 HA CYS 9 HA CYS 9 0.820 -1.925 0.812 50 HB3 CYS 9 2HB CYS 9 1.481 0.258 1.293 51 HA E9V 10 HA NHI 10 3.305 -3.193 4.219 52 HB2 E9V 10 2HB NHI 10 5.317 -3.186 1.967 53 HB3 E9V 10 3HB NHI 10 5.276 -4.253 3.368 54 HD1 E9V 10 1HD NHI 10 3.390 -6.102 3.376 55 HD2 E9V 10 2HD NHI 10 3.807 -4.007 -0.187 56 HE1 E9V 10 1HE NHI 10 2.154 -7.454 1.652 57 3HN E9V 10 3HN NHI 10 4.057 -2.030 0.847 58 H1 E9V 10 H NHI 10 3.484 -0.464 1.466 59 2HN E9V 10 2HN NHI 10 2.377 -1.518 0.554 60 H DPN 11 H DPH 11 3.335 -0.207 3.458 61 HA DPN 11 HA DPH 11 5.952 0.470 4.616 62 HB2 DPN 11 2HB DPH 11 4.208 0.525 6.377 63 HB3 DPN 11 3HB DPH 11 3.315 1.708 5.428 64 HD1 DPN 11 1HD DPH 11 6.913 1.354 6.350 65 HD2 DPN 11 2HD DPH 11 3.407 3.765 6.433 66 HE1 DPN 11 1HE DPH 11 8.189 3.166 7.421 67 HE2 DPN 11 2HE DPH 11 4.676 5.579 7.504 68 HZ DPN 11 HZ DPH 11 7.070 5.283 7.999 69 HA MMO 12 HA NAR 12 5.163 3.347 1.290 70 HCB1 MMO 12 2HB NAR 12 8.133 2.790 1.421 71 HCB2 MMO 12 3HB NAR 12 7.391 4.182 0.642 72 HCG1 MMO 12 2HG NAR 12 6.549 4.965 2.774 73 HCG2 MMO 12 3HG NAR 12 7.202 3.536 3.577 74 HCD1 MMO 12 2HD NAR 12 8.969 5.372 2.000 75 HCD2 MMO 12 3HD NAR 12 8.544 5.736 3.671 76 HH21 MMO 12 1HH2 NAR 12 11.609 2.574 4.162 77 HH22 MMO 12 2HH2 NAR 12 12.888 3.642 3.693 78 HH11 MMO 12 1HH1 NAR 12 10.752 6.118 2.453 79 HC1 MMO 12 2HN NAR 12 7.215 0.344 3.166 80 HC2 MMO 12 3HN NAR 12 7.264 0.453 1.389 81 HC3 MMO 12 H NAR 12 5.926 -0.402 2.192 82 HE MMO 12 HE NAR 12 9.442 3.189 3.803 83 HH12 MMO 12 2HH1 NAR 12 12.401 5.660 2.721 84 H TRP 13 H TRP 13 4.043 2.214 -0.286 85 HA TRP 13 HA TRP 13 5.643 1.424 -2.577 86 HB3 TRP 13 2HB TRP 13 4.052 -0.665 -2.754 87 HD1 TRP 13 HD TRP 13 5.916 -1.365 0.424 88 HE1 TRP 13 1HE TRP 13 8.151 -2.520 -0.116 89 HE3 TRP 13 3HE TRP 13 5.987 -0.666 -4.639 90 HZ2 TRP 13 2HZ TRP 13 9.737 -3.062 -2.389 91 HZ3 TRP 13 3HZ TRP 13 7.899 -1.533 -5.922 92 HH2 TRP 13 HH TRP 13 9.735 -2.706 -4.819 93 H ARG 14 H ARG 14 4.300 1.093 -4.527 94 HA ARG 14 HA ARG 14 2.351 3.153 -4.750 95 HB3 ARG 14 2HB ARG 14 2.210 2.553 -7.061 96 HG3 ARG 14 2HG ARG 14 5.013 2.014 -6.103 97 HD3 ARG 14 2HD ARG 14 3.963 2.728 -8.838 98 HE ARG 14 HE ARG 14 6.504 3.282 -7.780 99 HH11 ARG 14 1HH2 ARG 14 8.239 3.798 -9.168 100 HH12 ARG 14 2HH2 ARG 14 8.164 3.336 -10.835 101 HH21 ARG 14 1HH1 ARG 14 5.017 1.832 -10.575 102 HH22 ARG 14 2HH1 ARG 14 6.331 2.219 -11.635 Start of MODEL 14 1 H1 CYS 1 H CYS 1 0.183 2.568 -4.018 2 HA CYS 1 HA CYS 1 0.265 0.126 -2.394 3 HB3 CYS 1 2HB CYS 1 -1.936 1.244 -1.481 4 H THR 2 H THR 2 -1.946 -0.958 -2.141 5 HA THR 2 HA THR 2 -2.878 -1.631 -4.807 6 HB THR 2 HB THR 2 -4.127 -3.441 -3.707 7 HG1 THR 2 1HG THR 2 -4.547 -3.290 -1.645 8 HG21 THR 2 1HG2 THR 2 -1.264 -3.218 -2.768 9 HG22 THR 2 2HG2 THR 2 -1.800 -3.837 -4.329 10 HG23 THR 2 3HG2 THR 2 -2.205 -4.706 -2.849 11 H ALA 3 H ALA 3 -5.058 -1.585 -5.463 12 HA ALA 3 HA ALA 3 -6.544 0.648 -4.390 13 HB1 ALA 3 1HB ALA 3 -7.444 -1.182 -6.596 14 HB2 ALA 3 2HB ALA 3 -7.900 0.498 -6.308 15 HB3 ALA 3 3HB ALA 3 -6.270 0.110 -6.856 16 H SER 4 H SER 4 -6.501 -1.029 -2.364 17 HA SER 4 HA SER 4 -9.027 -2.534 -2.433 18 HB3 SER 4 2HB SER 4 -7.502 -4.090 -1.694 19 HG SER 4 HG SER 4 -5.992 -2.752 0.088 20 H ILE 5 H ILE 5 -10.128 -2.606 -0.204 21 HA ILE 5 HA ILE 5 -9.950 -0.040 1.194 22 HB ILE 5 HB ILE 5 -11.685 0.409 -0.377 23 HG13 ILE 5 2HG1 ILE 5 -12.026 0.773 2.216 24 HG21 ILE 5 1HG2 ILE 5 -12.219 -2.386 -0.107 25 HG22 ILE 5 2HG2 ILE 5 -13.702 -1.476 0.180 26 HG23 ILE 5 3HG2 ILE 5 -12.809 -1.254 -1.324 27 HD11 ILE 5 1HD1 ILE 5 -13.387 2.362 1.518 28 HD12 ILE 5 2HD1 ILE 5 -13.515 1.562 -0.050 29 HD13 ILE 5 3HD1 ILE 5 -14.656 1.171 1.237 30 HA PRO 6 HA PRO 6 -9.278 0.454 2.875 31 HB3 PRO 6 2HB PRO 6 -8.945 0.349 5.145 32 HG3 PRO 6 2HG PRO 6 -9.020 -1.682 6.276 33 HD3 PRO 6 2HD PRO 6 -10.989 -1.816 5.086 34 HA PRO 7 HA PRO 7 -6.045 -0.754 0.153 35 HB3 PRO 7 2HB PRO 7 -5.485 1.467 -0.032 36 HG3 PRO 7 2HG PRO 7 -5.561 2.881 1.812 37 HD3 PRO 7 2HD PRO 7 -7.647 1.912 1.969 38 H ILE 8 H ILE 8 -4.130 -1.944 -0.032 39 HA ILE 8 HA ILE 8 -3.079 -2.991 2.514 40 HB ILE 8 HB ILE 8 -3.212 -4.365 -0.172 41 HG13 ILE 8 2HG1 ILE 8 -5.294 -4.032 1.457 42 HG21 ILE 8 1HG2 ILE 8 -2.634 -6.241 1.786 43 HG22 ILE 8 2HG2 ILE 8 -1.520 -5.599 0.581 44 HG23 ILE 8 3HG2 ILE 8 -1.604 -4.865 2.181 45 HD11 ILE 8 1HD1 ILE 8 -6.357 -5.722 0.390 46 HD12 ILE 8 2HD1 ILE 8 -4.941 -5.591 -0.652 47 HD13 ILE 8 3HD1 ILE 8 -5.010 -6.844 0.584 48 H CYS 9 H CYS 9 -1.209 -2.001 2.937 49 HA CYS 9 HA CYS 9 0.823 -1.944 0.810 50 HB3 CYS 9 2HB CYS 9 1.469 0.245 1.286 51 HA E9V 10 HA NHI 10 3.288 -3.168 4.246 52 HB2 E9V 10 2HB NHI 10 5.315 -3.167 2.008 53 HB3 E9V 10 3HB NHI 10 5.277 -4.219 3.420 54 HD1 E9V 10 1HD NHI 10 3.417 -6.090 3.434 55 HD2 E9V 10 2HD NHI 10 3.814 -4.017 -0.144 56 HE1 E9V 10 1HE NHI 10 2.201 -7.469 1.719 57 3HN E9V 10 3HN NHI 10 4.058 -2.031 0.869 58 H1 E9V 10 H NHI 10 3.470 -0.462 1.468 59 2HN E9V 10 2HN NHI 10 2.378 -1.532 0.559 60 H DPN 11 H DPH 11 3.307 -0.186 3.454 61 HA DPN 11 HA DPH 11 5.910 0.518 4.629 62 HB2 DPN 11 2HB DPH 11 3.813 0.556 6.208 63 HB3 DPN 11 3HB DPH 11 3.456 2.064 5.375 64 HD1 DPN 11 1HD DPH 11 4.785 0.851 8.250 65 HD2 DPN 11 2HD DPH 11 5.797 3.516 5.088 66 HE1 DPN 11 1HE DPH 11 6.334 2.038 9.750 67 HE2 DPN 11 2HE DPH 11 7.347 4.706 6.582 68 HZ DPN 11 HZ DPH 11 7.617 3.968 8.917 69 HA MMO 12 HA NAR 12 5.135 3.358 1.270 70 HCB1 MMO 12 2HB NAR 12 8.088 2.816 1.594 71 HCB2 MMO 12 3HB NAR 12 7.446 4.088 0.564 72 HCG1 MMO 12 2HG NAR 12 6.346 5.081 2.543 73 HCG2 MMO 12 3HG NAR 12 7.115 3.849 3.546 74 HCD1 MMO 12 2HD NAR 12 8.418 5.865 3.652 75 HCD2 MMO 12 3HD NAR 12 9.323 4.649 2.749 76 HH21 MMO 12 1HH2 NAR 12 8.882 7.841 -0.277 77 HH22 MMO 12 2HH2 NAR 12 10.423 8.442 0.232 78 HH11 MMO 12 1HH1 NAR 12 10.600 6.410 3.072 79 HC1 MMO 12 2HN NAR 12 7.193 0.391 3.195 80 HC2 MMO 12 3HN NAR 12 7.255 0.479 1.419 81 HC3 MMO 12 H NAR 12 5.917 -0.378 2.222 82 HE MMO 12 HE NAR 12 7.836 6.238 0.962 83 HH12 MMO 12 2HH1 NAR 12 11.402 7.628 2.137 84 H TRP 13 H TRP 13 4.039 2.201 -0.307 85 HA TRP 13 HA TRP 13 5.674 1.387 -2.568 86 HB3 TRP 13 2HB TRP 13 4.053 -0.690 -2.738 87 HD1 TRP 13 HD TRP 13 5.945 -1.346 0.441 88 HE1 TRP 13 1HE TRP 13 8.161 -2.539 -0.101 89 HE3 TRP 13 3HE TRP 13 5.953 -0.771 -4.638 90 HZ2 TRP 13 2HZ TRP 13 9.708 -3.154 -2.381 91 HZ3 TRP 13 3HZ TRP 13 7.838 -1.691 -5.926 92 HH2 TRP 13 HH TRP 13 9.676 -2.855 -4.819 93 H ARG 14 H ARG 14 4.313 0.964 -4.521 94 HA ARG 14 HA ARG 14 2.417 3.068 -4.830 95 HB3 ARG 14 2HB ARG 14 2.169 2.213 -7.126 96 HG3 ARG 14 2HG ARG 14 4.696 2.070 -7.706 97 HD3 ARG 14 2HD ARG 14 3.030 4.086 -7.714 98 HE ARG 14 HE ARG 14 3.082 5.136 -5.677 99 HH11 ARG 14 1HH2 ARG 14 4.043 6.336 -3.993 100 HH12 ARG 14 2HH2 ARG 14 5.769 6.399 -3.869 101 HH21 ARG 14 1HH1 ARG 14 6.333 4.377 -6.665 102 HH22 ARG 14 2HH1 ARG 14 7.071 5.286 -5.390 Start of MODEL 15 1 H1 CYS 1 H CYS 1 0.542 2.631 -3.679 2 HA CYS 1 HA CYS 1 0.253 0.127 -2.362 3 HB3 CYS 1 2HB CYS 1 -1.931 1.363 -1.532 4 H THR 2 H THR 2 -1.933 -0.940 -2.141 5 HA THR 2 HA THR 2 -2.894 -1.580 -4.803 6 HB THR 2 HB THR 2 -4.109 -3.410 -3.747 7 HG1 THR 2 1HG THR 2 -4.714 -2.496 -1.790 8 HG21 THR 2 1HG2 THR 2 -1.289 -3.137 -2.698 9 HG22 THR 2 2HG2 THR 2 -1.762 -3.792 -4.265 10 HG23 THR 2 3HG2 THR 2 -2.204 -4.641 -2.785 11 H ALA 3 H ALA 3 -5.061 -1.471 -5.461 12 HA ALA 3 HA ALA 3 -6.527 0.744 -4.323 13 HB1 ALA 3 1HB ALA 3 -7.222 -1.031 -6.659 14 HB2 ALA 3 2HB ALA 3 -8.016 0.484 -6.228 15 HB3 ALA 3 3HB ALA 3 -6.332 0.489 -6.752 16 H SER 4 H SER 4 -6.507 -0.996 -2.350 17 HA SER 4 HA SER 4 -9.050 -2.472 -2.474 18 HB3 SER 4 2HB SER 4 -7.489 -4.047 -1.807 19 HG SER 4 HG SER 4 -6.109 -2.743 0.126 20 H ILE 5 H ILE 5 -10.158 -2.602 -0.251 21 HA ILE 5 HA ILE 5 -9.959 -0.079 1.223 22 HB ILE 5 HB ILE 5 -11.697 0.417 -0.334 23 HG13 ILE 5 2HG1 ILE 5 -12.028 0.778 2.233 24 HG21 ILE 5 1HG2 ILE 5 -12.835 -1.212 -1.318 25 HG22 ILE 5 2HG2 ILE 5 -12.242 -2.378 -0.135 26 HG23 ILE 5 3HG2 ILE 5 -13.721 -1.472 0.185 27 HD11 ILE 5 1HD1 ILE 5 -13.371 1.764 0.132 28 HD12 ILE 5 2HD1 ILE 5 -14.676 0.917 0.964 29 HD13 ILE 5 3HD1 ILE 5 -13.749 2.155 1.810 30 HA PRO 6 HA PRO 6 -9.304 0.380 2.919 31 HB3 PRO 6 2HB PRO 6 -8.975 0.218 5.188 32 HG3 PRO 6 2HG PRO 6 -9.047 -1.841 6.266 33 HD3 PRO 6 2HD PRO 6 -11.012 -1.952 5.066 34 HA PRO 7 HA PRO 7 -6.056 -0.747 0.177 35 HB3 PRO 7 2HB PRO 7 -5.503 1.480 0.051 36 HG3 PRO 7 2HG PRO 7 -5.589 2.845 1.933 37 HD3 PRO 7 2HD PRO 7 -7.672 1.866 2.057 38 H ILE 8 H ILE 8 -4.119 -1.905 -0.032 39 HA ILE 8 HA ILE 8 -3.073 -3.015 2.490 40 HB ILE 8 HB ILE 8 -3.209 -4.336 -0.223 41 HG13 ILE 8 2HG1 ILE 8 -5.291 -4.038 1.408 42 HG21 ILE 8 1HG2 ILE 8 -2.478 -6.360 1.135 43 HG22 ILE 8 2HG2 ILE 8 -1.252 -5.140 0.796 44 HG23 ILE 8 3HG2 ILE 8 -2.010 -5.211 2.387 45 HD11 ILE 8 1HD1 ILE 8 -4.525 -6.486 -0.128 46 HD12 ILE 8 2HD1 ILE 8 -6.051 -6.392 0.752 47 HD13 ILE 8 3HD1 ILE 8 -5.703 -5.238 -0.535 48 H CYS 9 H CYS 9 -1.204 -2.026 2.926 49 HA CYS 9 HA CYS 9 0.833 -1.954 0.809 50 HB3 CYS 9 2HB CYS 9 1.464 0.246 1.272 51 HA E9V 10 HA NHI 10 3.282 -3.126 4.276 52 HB2 E9V 10 2HB NHI 10 5.314 -3.139 2.038 53 HB3 E9V 10 3HB NHI 10 5.295 -4.162 3.472 54 HD1 E9V 10 1HD NHI 10 4.434 -4.220 0.005 55 HD2 E9V 10 2HD NHI 10 2.839 -5.898 3.453 56 HE1 E9V 10 1HE NHI 10 2.983 -6.117 -0.781 57 3HN E9V 10 3HN NHI 10 4.068 -2.021 0.891 58 H1 E9V 10 H NHI 10 3.468 -0.448 1.470 59 2HN E9V 10 2HN NHI 10 2.387 -1.535 0.564 60 H DPN 11 H DPH 11 3.289 -0.154 3.453 61 HA DPN 11 HA DPH 11 5.879 0.578 4.640 62 HB2 DPN 11 2HB DPH 11 3.947 0.622 6.297 63 HB3 DPN 11 3HB DPH 11 3.290 1.955 5.352 64 HD1 DPN 11 1HD DPH 11 6.401 0.910 7.111 65 HD2 DPN 11 2HD DPH 11 3.889 4.118 5.880 66 HE1 DPN 11 1HE DPH 11 7.803 2.489 8.374 67 HE2 DPN 11 2HE DPH 11 5.286 5.701 7.141 68 HZ DPN 11 HZ DPH 11 7.247 4.887 8.392 69 HA MMO 12 HA NAR 12 5.115 3.370 1.235 70 HCB1 MMO 12 2HB NAR 12 8.093 2.868 1.404 71 HCB2 MMO 12 3HB NAR 12 7.324 4.251 0.637 72 HCG1 MMO 12 2HG NAR 12 6.255 4.456 3.085 73 HCG2 MMO 12 3HG NAR 12 7.788 3.679 3.490 74 HCD1 MMO 12 2HD NAR 12 8.304 5.737 1.600 75 HCD2 MMO 12 3HD NAR 12 7.287 6.406 2.875 76 HH21 MMO 12 1HH2 NAR 12 11.207 5.797 4.926 77 HH22 MMO 12 2HH2 NAR 12 12.195 4.815 3.898 78 HH11 MMO 12 1HH1 NAR 12 9.703 4.308 1.499 79 HC1 MMO 12 2HN NAR 12 5.907 -0.348 2.239 80 HC2 MMO 12 3HN NAR 12 7.168 0.439 3.218 81 HC3 MMO 12 H NAR 12 7.251 0.507 1.442 82 HE MMO 12 HE NAR 12 9.051 6.236 4.323 83 HH12 MMO 12 2HH1 NAR 12 11.341 3.969 1.948 84 H TRP 13 H TRP 13 4.047 2.179 -0.337 85 HA TRP 13 HA TRP 13 5.720 1.340 -2.562 86 HB3 TRP 13 2HB TRP 13 4.099 -0.733 -2.738 87 HD1 TRP 13 HD TRP 13 5.909 -1.342 0.501 88 HE1 TRP 13 1HE TRP 13 8.131 -2.553 0.033 89 HE3 TRP 13 3HE TRP 13 6.042 -0.859 -4.587 90 HZ2 TRP 13 2HZ TRP 13 9.730 -3.215 -2.197 91 HZ3 TRP 13 3HZ TRP 13 7.953 -1.809 -5.813 92 HH2 TRP 13 HH TRP 13 9.758 -2.962 -4.639 93 H ARG 14 H ARG 14 4.320 0.796 -4.509 94 HA ARG 14 HA ARG 14 2.492 2.947 -4.921 95 HB3 ARG 14 2HB ARG 14 2.269 2.078 -7.177 96 HG3 ARG 14 2HG ARG 14 5.123 1.643 -6.332 97 HD3 ARG 14 2HD ARG 14 5.422 2.755 -8.644 98 HE ARG 14 HE ARG 14 5.238 0.064 -7.994 99 HH11 ARG 14 1HH2 ARG 14 5.863 -1.572 -9.454 100 HH12 ARG 14 2HH2 ARG 14 5.892 -1.234 -11.152 101 HH21 ARG 14 1HH1 ARG 14 4.837 2.081 -10.804 102 HH22 ARG 14 2HH1 ARG 14 5.310 0.844 -11.920 Start of MODEL 16 1 H1 CYS 1 H CYS 1 -0.161 2.242 -4.296 2 HA CYS 1 HA CYS 1 0.261 0.061 -2.379 3 HB3 CYS 1 2HB CYS 1 -1.927 0.905 -1.270 4 H THR 2 H THR 2 -2.048 -1.018 -2.014 5 HA THR 2 HA THR 2 -2.890 -1.854 -4.664 6 HB THR 2 HB THR 2 -4.032 -3.667 -3.595 7 HG1 THR 2 1HG THR 2 -4.601 -3.643 -1.511 8 HG21 THR 2 1HG2 THR 2 -2.215 -4.649 -2.193 9 HG22 THR 2 2HG2 THR 2 -1.392 -3.091 -2.250 10 HG23 THR 2 3HG2 THR 2 -1.655 -4.003 -3.735 11 H ALA 3 H ALA 3 -5.053 -1.865 -5.386 12 HA ALA 3 HA ALA 3 -6.578 0.424 -4.492 13 HB1 ALA 3 1HB ALA 3 -7.989 0.003 -6.413 14 HB2 ALA 3 2HB ALA 3 -6.292 -0.063 -6.888 15 HB3 ALA 3 3HB ALA 3 -7.207 -1.556 -6.678 16 H SER 4 H SER 4 -6.562 -1.213 -2.395 17 HA SER 4 HA SER 4 -9.119 -2.666 -2.458 18 HB3 SER 4 2HB SER 4 -7.410 -4.153 -1.759 19 HG SER 4 HG SER 4 -6.504 -2.632 0.368 20 H ILE 5 H ILE 5 -10.236 -2.666 -0.232 21 HA ILE 5 HA ILE 5 -10.029 -0.055 1.084 22 HB ILE 5 HB ILE 5 -12.625 -1.222 0.071 23 HG13 ILE 5 2HG1 ILE 5 -10.782 0.889 -0.927 24 HG21 ILE 5 1HG2 ILE 5 -11.978 0.917 2.008 25 HG22 ILE 5 2HG2 ILE 5 -13.272 1.251 0.859 26 HG23 ILE 5 3HG2 ILE 5 -13.377 -0.152 1.922 27 HD11 ILE 5 1HD1 ILE 5 -12.775 -0.219 -2.733 28 HD12 ILE 5 2HD1 ILE 5 -11.020 -0.117 -2.895 29 HD13 ILE 5 3HD1 ILE 5 -11.747 -1.441 -1.984 30 HA PRO 6 HA PRO 6 -9.410 0.550 2.749 31 HB3 PRO 6 2HB PRO 6 -9.089 0.555 5.025 32 HG3 PRO 6 2HG PRO 6 -9.116 -1.425 6.244 33 HD3 PRO 6 2HD PRO 6 -11.073 -1.667 5.050 34 HA PRO 7 HA PRO 7 -6.121 -0.685 0.105 35 HB3 PRO 7 2HB PRO 7 -5.615 1.540 -0.166 36 HG3 PRO 7 2HG PRO 7 -5.743 3.026 1.618 37 HD3 PRO 7 2HD PRO 7 -7.804 2.012 1.800 38 H ILE 8 H ILE 8 -4.127 -1.778 -0.019 39 HA ILE 8 HA ILE 8 -3.073 -2.695 2.578 40 HB ILE 8 HB ILE 8 -3.211 -4.216 -0.027 41 HG13 ILE 8 2HG1 ILE 8 -4.713 -5.722 1.242 42 HG21 ILE 8 1HG2 ILE 8 -1.926 -4.858 2.608 43 HG22 ILE 8 2HG2 ILE 8 -2.403 -6.116 1.470 44 HG23 ILE 8 3HG2 ILE 8 -1.215 -4.904 0.996 45 HD11 ILE 8 1HD1 ILE 8 -5.529 -5.305 3.352 46 HD12 ILE 8 2HD1 ILE 8 -3.825 -4.879 3.521 47 HD13 ILE 8 3HD1 ILE 8 -5.037 -3.612 3.323 48 H CYS 9 H CYS 9 -1.081 -2.034 2.991 49 HA CYS 9 HA CYS 9 0.842 -1.826 0.783 50 HB3 CYS 9 2HB CYS 9 1.546 0.323 1.342 51 HA E9V 10 HA NHI 10 3.416 -3.289 4.042 52 HB2 E9V 10 2HB NHI 10 5.346 -3.193 1.721 53 HB3 E9V 10 3HB NHI 10 5.358 -4.316 3.077 54 HD1 E9V 10 1HD NHI 10 3.033 -5.850 3.167 55 HD2 E9V 10 2HD NHI 10 4.182 -4.229 -0.483 56 HE1 E9V 10 1HE NHI 10 1.832 -7.205 1.420 57 3HN E9V 10 3HN NHI 10 4.075 -1.975 0.707 58 H1 E9V 10 H NHI 10 3.545 -0.431 1.417 59 2HN E9V 10 2HN NHI 10 2.394 -1.428 0.493 60 H DPN 11 H DPH 11 3.466 -0.266 3.415 61 HA DPN 11 HA DPH 11 6.119 0.317 4.544 62 HB2 DPN 11 2HB DPH 11 4.453 0.348 6.354 63 HB3 DPN 11 3HB DPH 11 3.497 1.522 5.455 64 HD1 DPN 11 1HD DPH 11 7.153 1.299 6.141 65 HD2 DPN 11 2HD DPH 11 3.550 3.518 6.598 66 HE1 DPN 11 1HE DPH 11 8.417 3.129 7.196 67 HE2 DPN 11 2HE DPH 11 4.806 5.349 7.654 68 HZ DPN 11 HZ DPH 11 7.242 5.157 7.955 69 HA MMO 12 HA NAR 12 5.328 3.331 1.339 70 HCB1 MMO 12 2HB NAR 12 8.287 2.726 1.483 71 HCB2 MMO 12 3HB NAR 12 7.591 4.120 0.669 72 HCG1 MMO 12 2HG NAR 12 7.036 3.608 3.564 73 HCG2 MMO 12 3HG NAR 12 8.524 4.406 3.048 74 HCD1 MMO 12 2HD NAR 12 7.385 6.241 2.181 75 HCD2 MMO 12 3HD NAR 12 5.859 5.362 2.071 76 HH21 MMO 12 1HH2 NAR 12 5.629 7.051 6.155 77 HH22 MMO 12 2HH2 NAR 12 5.063 8.550 5.500 78 HH11 MMO 12 1HH1 NAR 12 5.845 7.735 2.192 79 HC1 MMO 12 2HN NAR 12 7.386 0.402 1.305 80 HC2 MMO 12 3HN NAR 12 6.039 -0.459 2.087 81 HC3 MMO 12 H NAR 12 7.352 0.223 3.075 82 HE MMO 12 HE NAR 12 6.496 5.472 4.755 83 HH12 MMO 12 2HH1 NAR 12 5.186 8.940 3.246 84 H TRP 13 H TRP 13 4.179 2.262 -0.264 85 HA TRP 13 HA TRP 13 5.667 1.691 -2.655 86 HB3 TRP 13 2HB TRP 13 4.308 -0.599 -2.782 87 HD1 TRP 13 HD TRP 13 6.627 -1.483 -0.064 88 HE1 TRP 13 1HE TRP 13 8.923 -2.160 -1.007 89 HE3 TRP 13 3HE TRP 13 6.061 0.193 -4.860 90 HZ2 TRP 13 2HZ TRP 13 10.312 -2.006 -3.460 91 HZ3 TRP 13 3HZ TRP 13 7.921 -0.109 -6.442 92 HH2 TRP 13 HH TRP 13 10.001 -1.186 -5.755 93 H ARG 14 H ARG 14 4.401 1.771 -4.513 94 HA ARG 14 HA ARG 14 2.089 3.334 -4.408 95 HB3 ARG 14 2HB ARG 14 3.416 3.277 -6.410 96 HG3 ARG 14 2HG ARG 14 2.525 0.476 -6.988 97 HD3 ARG 14 2HD ARG 14 4.637 2.314 -8.093 98 HE ARG 14 HE ARG 14 5.706 0.348 -8.574 99 HH11 ARG 14 1HH2 ARG 14 5.928 -1.716 -9.519 100 HH12 ARG 14 2HH2 ARG 14 4.515 -2.571 -10.040 101 HH21 ARG 14 1HH1 ARG 14 2.283 -0.062 -9.060 102 HH22 ARG 14 2HH1 ARG 14 2.442 -1.631 -9.779 Start of MODEL 17 1 H1 CYS 1 H CYS 1 0.599 2.527 -3.871 2 HA CYS 1 HA CYS 1 0.250 0.131 -2.304 3 HB3 CYS 1 2HB CYS 1 -1.889 1.568 -1.617 4 H THR 2 H THR 2 -1.912 -0.891 -2.101 5 HA THR 2 HA THR 2 -2.934 -1.510 -4.745 6 HB THR 2 HB THR 2 -4.054 -3.365 -3.756 7 HG1 THR 2 1HG THR 2 -4.515 -3.497 -1.631 8 HG21 THR 2 1HG2 THR 2 -1.380 -2.943 -2.418 9 HG22 THR 2 2HG2 THR 2 -1.675 -3.715 -3.975 10 HG23 THR 2 3HG2 THR 2 -2.232 -4.485 -2.490 11 H ALA 3 H ALA 3 -5.047 -1.241 -5.427 12 HA ALA 3 HA ALA 3 -6.476 0.940 -4.181 13 HB1 ALA 3 1HB ALA 3 -7.575 -0.570 -6.502 14 HB2 ALA 3 2HB ALA 3 -7.629 1.158 -6.152 15 HB3 ALA 3 3HB ALA 3 -6.133 0.422 -6.728 16 H SER 4 H SER 4 -6.525 -0.957 -2.337 17 HA SER 4 HA SER 4 -9.121 -2.316 -2.593 18 HB3 SER 4 2HB SER 4 -7.266 -3.830 -2.121 19 HG SER 4 HG SER 4 -5.949 -2.257 -1.014 20 H ILE 5 H ILE 5 -10.247 -2.583 -0.389 21 HA ILE 5 HA ILE 5 -9.974 -0.176 1.262 22 HB ILE 5 HB ILE 5 -12.619 -1.140 0.167 23 HG13 ILE 5 2HG1 ILE 5 -10.711 0.978 -0.691 24 HG21 ILE 5 1HG2 ILE 5 -12.901 -0.240 2.364 25 HG22 ILE 5 2HG2 ILE 5 -11.895 1.155 1.977 26 HG23 ILE 5 3HG2 ILE 5 -13.467 0.962 1.205 27 HD11 ILE 5 1HD1 ILE 5 -10.831 -0.355 -2.475 28 HD12 ILE 5 2HD1 ILE 5 -12.343 -1.093 -1.944 29 HD13 ILE 5 3HD1 ILE 5 -12.365 0.458 -2.783 30 HA PRO 6 HA PRO 6 -9.376 0.211 3.000 31 HB3 PRO 6 2HB PRO 6 -9.074 -0.082 5.259 32 HG3 PRO 6 2HG PRO 6 -9.134 -2.202 6.212 33 HD3 PRO 6 2HD PRO 6 -11.081 -2.266 4.984 34 HA PRO 7 HA PRO 7 -6.078 -0.710 0.243 35 HB3 PRO 7 2HB PRO 7 -5.545 1.525 0.266 36 HG3 PRO 7 2HG PRO 7 -5.669 2.767 2.229 37 HD3 PRO 7 2HD PRO 7 -7.743 1.764 2.262 38 H ILE 8 H ILE 8 -4.087 -1.794 -0.008 39 HA ILE 8 HA ILE 8 -3.056 -3.043 2.457 40 HB ILE 8 HB ILE 8 -3.224 -4.249 -0.307 41 HG13 ILE 8 2HG1 ILE 8 -4.812 -5.804 0.683 42 HG21 ILE 8 1HG2 ILE 8 -1.879 -5.139 2.210 43 HG22 ILE 8 2HG2 ILE 8 -2.502 -6.328 1.067 44 HG23 ILE 8 3HG2 ILE 8 -1.282 -5.165 0.550 45 HD11 ILE 8 1HD1 ILE 8 -4.873 -6.183 2.857 46 HD12 ILE 8 2HD1 ILE 8 -3.826 -4.800 3.173 47 HD13 ILE 8 3HD1 ILE 8 -5.573 -4.580 3.078 48 H CYS 9 H CYS 9 -1.186 -2.066 2.917 49 HA CYS 9 HA CYS 9 0.859 -1.962 0.817 50 HB3 CYS 9 2HB CYS 9 1.466 0.254 1.256 51 HA E9V 10 HA NHI 10 3.276 -3.029 4.341 52 HB2 E9V 10 2HB NHI 10 5.336 -3.084 2.132 53 HB3 E9V 10 3HB NHI 10 5.297 -4.077 3.587 54 HD1 E9V 10 1HD NHI 10 2.426 -5.114 3.486 55 HD2 E9V 10 2HD NHI 10 4.922 -4.916 0.171 56 HE1 E9V 10 1HE NHI 10 1.518 -6.803 1.860 57 3HN E9V 10 3HN NHI 10 4.091 -1.999 0.939 58 H1 E9V 10 H NHI 10 3.469 -0.420 1.474 59 2HN E9V 10 2HN NHI 10 2.410 -1.539 0.582 60 H DPN 11 H DPH 11 3.268 -0.080 3.444 61 HA DPN 11 HA DPH 11 5.839 0.699 4.642 62 HB2 DPN 11 2HB DPH 11 4.044 0.812 6.345 63 HB3 DPN 11 3HB DPH 11 3.154 1.923 5.310 64 HD1 DPN 11 1HD DPH 11 6.684 1.655 6.499 65 HD2 DPN 11 2HD DPH 11 3.216 4.081 6.055 66 HE1 DPN 11 1HE DPH 11 7.885 3.552 7.508 67 HE2 DPN 11 2HE DPH 11 4.410 5.981 7.064 68 HZ DPN 11 HZ DPH 11 6.749 5.718 7.790 69 HA MMO 12 HA NAR 12 5.106 3.388 1.148 70 HCB1 MMO 12 2HB NAR 12 8.076 2.913 1.456 71 HCB2 MMO 12 3HB NAR 12 7.357 4.221 0.526 72 HCG1 MMO 12 2HG NAR 12 6.221 4.929 2.685 73 HCG2 MMO 12 3HG NAR 12 7.317 3.810 3.497 74 HCD1 MMO 12 2HD NAR 12 8.306 5.947 1.629 75 HCD2 MMO 12 3HD NAR 12 8.034 6.255 3.344 76 HH21 MMO 12 1HH2 NAR 12 11.894 4.087 3.411 77 HH22 MMO 12 2HH2 NAR 12 12.736 5.529 2.949 78 HH11 MMO 12 1HH1 NAR 12 9.843 7.289 2.081 79 HC1 MMO 12 2HN NAR 12 7.258 0.548 1.468 80 HC2 MMO 12 3HN NAR 12 5.905 -0.291 2.263 81 HC3 MMO 12 H NAR 12 7.146 0.524 3.244 82 HE MMO 12 HE NAR 12 9.619 4.020 3.257 83 HH12 MMO 12 2HH1 NAR 12 11.569 7.349 2.194 84 H TRP 13 H TRP 13 4.075 2.139 -0.404 85 HA TRP 13 HA TRP 13 5.801 1.239 -2.570 86 HB3 TRP 13 2HB TRP 13 4.157 -0.825 -2.719 87 HD1 TRP 13 HD TRP 13 5.941 -1.337 0.555 88 HE1 TRP 13 1HE TRP 13 8.151 -2.589 0.144 89 HE3 TRP 13 3HE TRP 13 6.097 -1.054 -4.547 90 HZ2 TRP 13 2HZ TRP 13 9.750 -3.354 -2.053 91 HZ3 TRP 13 3HZ TRP 13 8.002 -2.071 -5.727 92 HH2 TRP 13 HH TRP 13 9.789 -3.196 -4.503 93 H ARG 14 H ARG 14 4.334 0.503 -4.483 94 HA ARG 14 HA ARG 14 2.614 2.707 -5.077 95 HB3 ARG 14 2HB ARG 14 2.157 1.093 -7.146 96 HG3 ARG 14 2HG ARG 14 4.913 2.244 -6.855 97 HD3 ARG 14 2HD ARG 14 3.013 1.760 -9.131 98 HE ARG 14 HE ARG 14 4.577 4.007 -9.024 99 HH11 ARG 14 1HH2 ARG 14 5.394 5.062 -10.874 100 HH12 ARG 14 2HH2 ARG 14 5.610 4.166 -12.340 101 HH21 ARG 14 1HH1 ARG 14 4.457 1.146 -11.004 102 HH22 ARG 14 2HH1 ARG 14 5.076 1.938 -12.415 Start of MODEL 18 1 H1 CYS 1 H CYS 1 0.723 2.556 -3.683 2 HA CYS 1 HA CYS 1 0.251 0.128 -2.330 3 HB3 CYS 1 2HB CYS 1 -1.896 1.520 -1.596 4 H THR 2 H THR 2 -1.924 -0.895 -2.106 5 HA THR 2 HA THR 2 -2.942 -1.529 -4.749 6 HB THR 2 HB THR 2 -4.082 -3.371 -3.738 7 HG1 THR 2 1HG THR 2 -4.504 -3.490 -1.607 8 HG21 THR 2 1HG2 THR 2 -1.844 -3.751 -1.981 9 HG22 THR 2 2HG2 THR 2 -1.306 -2.967 -3.466 10 HG23 THR 2 3HG2 THR 2 -2.171 -4.502 -3.544 11 H ALA 3 H ALA 3 -5.058 -1.271 -5.431 12 HA ALA 3 HA ALA 3 -6.489 0.917 -4.198 13 HB1 ALA 3 1HB ALA 3 -7.531 -0.636 -6.530 14 HB2 ALA 3 2HB ALA 3 -7.695 1.082 -6.162 15 HB3 ALA 3 3HB ALA 3 -6.151 0.445 -6.729 16 H SER 4 H SER 4 -6.534 -0.970 -2.343 17 HA SER 4 HA SER 4 -9.128 -2.336 -2.589 18 HB3 SER 4 2HB SER 4 -7.269 -3.842 -2.108 19 HG SER 4 HG SER 4 -5.955 -2.261 -1.010 20 H ILE 5 H ILE 5 -10.252 -2.591 -0.383 21 HA ILE 5 HA ILE 5 -9.983 -0.175 1.255 22 HB ILE 5 HB ILE 5 -12.614 -1.145 0.131 23 HG13 ILE 5 2HG1 ILE 5 -12.654 0.952 -1.111 24 HG21 ILE 5 1HG2 ILE 5 -11.953 0.478 2.417 25 HG22 ILE 5 2HG2 ILE 5 -12.902 1.395 1.248 26 HG23 ILE 5 3HG2 ILE 5 -13.520 -0.128 1.887 27 HD11 ILE 5 1HD1 ILE 5 -10.004 1.828 -1.071 28 HD12 ILE 5 2HD1 ILE 5 -11.433 2.686 -0.491 29 HD13 ILE 5 3HD1 ILE 5 -10.491 1.689 0.619 30 HA PRO 6 HA PRO 6 -9.389 0.222 2.992 31 HB3 PRO 6 2HB PRO 6 -9.088 -0.058 5.252 32 HG3 PRO 6 2HG PRO 6 -9.147 -2.173 6.217 33 HD3 PRO 6 2HD PRO 6 -11.094 -2.246 4.986 34 HA PRO 7 HA PRO 7 -6.085 -0.710 0.243 35 HB3 PRO 7 2HB PRO 7 -5.557 1.526 0.253 36 HG3 PRO 7 2HG PRO 7 -5.687 2.781 2.207 37 HD3 PRO 7 2HD PRO 7 -7.760 1.774 2.243 38 H ILE 8 H ILE 8 -4.090 -1.788 0.001 39 HA ILE 8 HA ILE 8 -3.057 -3.016 2.476 40 HB ILE 8 HB ILE 8 -3.222 -4.248 -0.278 41 HG13 ILE 8 2HG1 ILE 8 -4.814 -5.792 0.723 42 HG21 ILE 8 1HG2 ILE 8 -2.528 -6.312 1.182 43 HG22 ILE 8 2HG2 ILE 8 -1.309 -5.204 0.554 44 HG23 ILE 8 3HG2 ILE 8 -1.841 -5.072 2.230 45 HD11 ILE 8 1HD1 ILE 8 -5.738 -5.431 2.949 46 HD12 ILE 8 2HD1 ILE 8 -4.026 -5.846 3.018 47 HD13 ILE 8 3HD1 ILE 8 -4.538 -4.174 3.245 48 H CYS 9 H CYS 9 -1.179 -2.060 2.929 49 HA CYS 9 HA CYS 9 0.855 -1.949 0.817 50 HB3 CYS 9 2HB CYS 9 1.473 0.262 1.267 51 HA E9V 10 HA NHI 10 3.292 -3.050 4.315 52 HB2 E9V 10 2HB NHI 10 4.168 -4.017 1.958 53 HB3 E9V 10 3HB NHI 10 5.591 -3.099 2.443 54 HD1 E9V 10 1HD NHI 10 4.779 -3.878 5.589 55 HD2 E9V 10 2HD NHI 10 5.760 -6.357 2.403 56 HE1 E9V 10 1HE NHI 10 5.588 -6.020 6.628 57 3HN E9V 10 3HN NHI 10 4.087 -1.997 0.917 58 H1 E9V 10 H NHI 10 3.473 -0.419 1.466 59 2HN E9V 10 2HN NHI 10 2.405 -1.528 0.573 60 H DPN 11 H DPH 11 3.283 -0.092 3.438 61 HA DPN 11 HA DPH 11 5.856 0.677 4.639 62 HB2 DPN 11 2HB DPH 11 3.865 0.746 6.249 63 HB3 DPN 11 3HB DPH 11 3.276 2.094 5.283 64 HD1 DPN 11 1HD DPH 11 6.254 0.955 7.196 65 HD2 DPN 11 2HD DPH 11 3.969 4.248 5.762 66 HE1 DPN 11 1HE DPH 11 7.665 2.495 8.495 67 HE2 DPN 11 2HE DPH 11 5.376 5.793 7.060 68 HZ DPN 11 HZ DPH 11 7.227 4.918 8.429 69 HA MMO 12 HA NAR 12 5.126 3.389 1.161 70 HCB1 MMO 12 2HB NAR 12 8.111 2.931 1.305 71 HCB2 MMO 12 3HB NAR 12 7.289 4.335 0.634 72 HCG1 MMO 12 2HG NAR 12 6.294 4.450 3.092 73 HCG2 MMO 12 3HG NAR 12 7.796 3.597 3.456 74 HCD1 MMO 12 2HD NAR 12 8.687 5.563 1.808 75 HCD2 MMO 12 3HD NAR 12 7.350 6.377 2.621 76 HH21 MMO 12 1HH2 NAR 12 10.439 6.049 5.830 77 HH22 MMO 12 2HH2 NAR 12 11.696 5.013 5.243 78 HH11 MMO 12 1HH1 NAR 12 10.048 4.221 2.262 79 HC1 MMO 12 2HN NAR 12 5.924 -0.299 2.258 80 HC2 MMO 12 3HN NAR 12 7.165 0.512 3.242 81 HC3 MMO 12 H NAR 12 7.277 0.546 1.466 82 HE MMO 12 HE NAR 12 8.566 6.367 4.566 83 HH12 MMO 12 2HH1 NAR 12 11.475 3.972 3.213 84 H TRP 13 H TRP 13 4.096 2.149 -0.399 85 HA TRP 13 HA TRP 13 5.814 1.286 -2.581 86 HB3 TRP 13 2HB TRP 13 4.174 -0.808 -2.704 87 HD1 TRP 13 HD TRP 13 5.987 -1.634 0.409 88 HE1 TRP 13 1HE TRP 13 8.255 -2.724 -0.130 89 HE3 TRP 13 3HE TRP 13 6.240 -0.558 -4.583 90 HZ2 TRP 13 2HZ TRP 13 9.930 -3.081 -2.374 91 HZ3 TRP 13 3HZ TRP 13 8.208 -1.310 -5.852 92 HH2 TRP 13 HH TRP 13 10.015 -2.545 -4.770 93 H ARG 14 H ARG 14 4.384 0.584 -4.502 94 HA ARG 14 HA ARG 14 2.599 2.734 -5.056 95 HB3 ARG 14 2HB ARG 14 3.886 1.882 -6.870 96 HG3 ARG 14 2HG ARG 14 3.043 -0.744 -5.879 97 HD3 ARG 14 2HD ARG 14 3.168 -0.136 -8.829 98 HE ARG 14 HE ARG 14 3.739 -2.617 -7.488 99 HH11 ARG 14 1HH2 ARG 14 4.189 -4.430 -8.797 100 HH12 ARG 14 2HH2 ARG 14 3.799 -4.382 -10.484 101 HH21 ARG 14 1HH1 ARG 14 2.503 -1.136 -10.386 102 HH22 ARG 14 2HH1 ARG 14 2.841 -2.508 -11.388 Start of MODEL 19 1 H1 CYS 1 H CYS 1 -0.034 2.633 -3.890 2 HA CYS 1 HA CYS 1 0.329 0.112 -2.451 3 HB3 CYS 1 2HB CYS 1 -1.872 0.947 -1.330 4 H THR 2 H THR 2 -1.985 -0.970 -2.058 5 HA THR 2 HA THR 2 -2.846 -1.810 -4.700 6 HB THR 2 HB THR 2 -4.090 -3.569 -3.545 7 HG1 THR 2 1HG THR 2 -4.640 -2.333 -1.662 8 HG21 THR 2 1HG2 THR 2 -2.250 -4.826 -3.196 9 HG22 THR 2 2HG2 THR 2 -1.580 -3.696 -2.018 10 HG23 THR 2 3HG2 THR 2 -1.386 -3.390 -3.745 11 H ALA 3 H ALA 3 -5.010 -1.813 -5.412 12 HA ALA 3 HA ALA 3 -6.532 0.470 -4.501 13 HB1 ALA 3 1HB ALA 3 -6.227 -0.053 -6.910 14 HB2 ALA 3 2HB ALA 3 -7.221 -1.491 -6.683 15 HB3 ALA 3 3HB ALA 3 -7.916 0.110 -6.428 16 H SER 4 H SER 4 -6.524 -1.149 -2.406 17 HA SER 4 HA SER 4 -9.064 -2.630 -2.474 18 HB3 SER 4 2HB SER 4 -7.509 -4.162 -1.696 19 HG SER 4 HG SER 4 -5.700 -3.635 -0.596 20 H ILE 5 H ILE 5 -10.197 -2.626 -0.258 21 HA ILE 5 HA ILE 5 -10.009 -0.027 1.074 22 HB ILE 5 HB ILE 5 -11.704 0.407 -0.546 23 HG13 ILE 5 2HG1 ILE 5 -12.086 0.905 1.994 24 HG21 ILE 5 1HG2 ILE 5 -12.316 -2.370 -0.179 25 HG22 ILE 5 2HG2 ILE 5 -13.777 -1.402 0.002 26 HG23 ILE 5 3HG2 ILE 5 -12.815 -1.279 -1.470 27 HD11 ILE 5 1HD1 ILE 5 -14.670 0.999 0.556 28 HD12 ILE 5 2HD1 ILE 5 -13.850 2.238 1.503 29 HD13 ILE 5 3HD1 ILE 5 -13.308 1.879 -0.136 30 HA PRO 6 HA PRO 6 -9.402 0.524 2.762 31 HB3 PRO 6 2HB PRO 6 -9.135 0.481 5.043 32 HG3 PRO 6 2HG PRO 6 -9.251 -1.516 6.228 33 HD3 PRO 6 2HD PRO 6 -11.185 -1.680 4.983 34 HA PRO 7 HA PRO 7 -6.092 -0.769 0.172 35 HB3 PRO 7 2HB PRO 7 -5.526 1.445 -0.065 36 HG3 PRO 7 2HG PRO 7 -5.654 2.913 1.733 37 HD3 PRO 7 2HD PRO 7 -7.744 1.951 1.859 38 H ILE 8 H ILE 8 -4.010 -1.785 0.083 39 HA ILE 8 HA ILE 8 -3.050 -2.770 2.690 40 HB ILE 8 HB ILE 8 -3.233 -4.325 0.106 41 HG13 ILE 8 2HG1 ILE 8 -4.843 -5.715 1.278 42 HG21 ILE 8 1HG2 ILE 8 -2.596 -6.157 1.972 43 HG22 ILE 8 2HG2 ILE 8 -1.407 -5.337 0.961 44 HG23 ILE 8 3HG2 ILE 8 -1.720 -4.761 2.597 45 HD11 ILE 8 1HD1 ILE 8 -4.569 -3.832 3.609 46 HD12 ILE 8 2HD1 ILE 8 -5.720 -5.161 3.460 47 HD13 ILE 8 3HD1 ILE 8 -3.992 -5.498 3.563 48 H CYS 9 H CYS 9 -1.139 -1.852 3.048 49 HA CYS 9 HA CYS 9 0.831 -1.853 0.860 50 HB3 CYS 9 2HB CYS 9 1.562 0.305 1.357 51 HA E9V 10 HA NHI 10 3.378 -3.225 4.181 52 HB2 E9V 10 2HB NHI 10 4.023 -4.323 1.936 53 HB3 E9V 10 3HB NHI 10 5.412 -3.240 1.963 54 HD1 E9V 10 1HD NHI 10 3.821 -5.815 4.275 55 HD2 E9V 10 2HD NHI 10 7.548 -4.314 3.220 56 HE1 E9V 10 1HE NHI 10 5.489 -7.198 5.552 57 3HN E9V 10 3HN NHI 10 4.064 -2.039 0.802 58 H1 E9V 10 H NHI 10 3.546 -0.467 1.456 59 2HN E9V 10 2HN NHI 10 2.390 -1.484 0.563 60 H DPN 11 H DPH 11 3.462 -0.231 3.454 61 HA DPN 11 HA DPH 11 6.128 0.367 4.542 62 HB2 DPN 11 2HB DPH 11 4.094 0.431 6.202 63 HB3 DPN 11 3HB DPH 11 3.753 1.969 5.417 64 HD1 DPN 11 1HD DPH 11 5.167 0.641 8.205 65 HD2 DPN 11 2HD DPH 11 6.112 3.367 5.076 66 HE1 DPN 11 1HE DPH 11 6.809 1.745 9.668 67 HE2 DPN 11 2HE DPH 11 7.754 4.477 6.533 68 HZ DPN 11 HZ DPH 11 8.105 3.666 8.832 69 HA MMO 12 HA NAR 12 5.312 3.310 1.281 70 HCB1 MMO 12 2HB NAR 12 8.245 2.660 1.538 71 HCB2 MMO 12 3HB NAR 12 7.655 3.918 0.462 72 HCG1 MMO 12 2HG NAR 12 6.547 4.961 2.468 73 HCG2 MMO 12 3HG NAR 12 7.449 3.809 3.456 74 HCD1 MMO 12 2HD NAR 12 9.506 4.743 2.884 75 HCD2 MMO 12 3HD NAR 12 8.849 5.546 1.459 76 HH21 MMO 12 1HH2 NAR 12 8.221 8.602 4.603 77 HH22 MMO 12 2HH2 NAR 12 9.906 8.997 4.635 78 HH11 MMO 12 1HH1 NAR 12 10.891 6.202 2.776 79 HC1 MMO 12 2HN NAR 12 7.342 0.359 1.279 80 HC2 MMO 12 3HN NAR 12 6.008 -0.472 2.114 81 HC3 MMO 12 H NAR 12 7.345 0.233 3.054 82 HE MMO 12 HE NAR 12 7.529 6.716 3.522 83 HH12 MMO 12 2HH1 NAR 12 11.426 7.632 3.596 84 H TRP 13 H TRP 13 4.112 2.243 -0.278 85 HA TRP 13 HA TRP 13 5.590 1.484 -2.648 86 HB3 TRP 13 2HB TRP 13 3.986 -0.628 -2.747 87 HD1 TRP 13 HD TRP 13 6.073 -1.606 0.145 88 HE1 TRP 13 1HE TRP 13 8.300 -2.620 -0.653 89 HE3 TRP 13 3HE TRP 13 5.876 -0.230 -4.776 90 HZ2 TRP 13 2HZ TRP 13 9.778 -2.811 -3.051 91 HZ3 TRP 13 3HZ TRP 13 7.737 -0.868 -6.254 92 HH2 TRP 13 HH TRP 13 9.647 -2.131 -5.408 93 H ARG 14 H ARG 14 4.306 1.470 -4.549 94 HA ARG 14 HA ARG 14 2.180 3.343 -4.518 95 HB3 ARG 14 2HB ARG 14 3.594 3.194 -6.457 96 HG3 ARG 14 2HG ARG 14 2.515 0.649 -7.451 97 HD3 ARG 14 2HD ARG 14 5.402 1.251 -7.394 98 HE ARG 14 HE ARG 14 5.128 -0.230 -9.099 99 HH11 ARG 14 1HH2 ARG 14 4.233 -1.095 -11.011 100 HH12 ARG 14 2HH2 ARG 14 2.794 -0.396 -11.671 101 HH21 ARG 14 1HH1 ARG 14 2.485 2.035 -9.177 102 HH22 ARG 14 2HH1 ARG 14 1.798 1.386 -10.629 Start of MODEL 20 1 H1 CYS 1 H CYS 1 0.505 2.661 -3.580 2 HA CYS 1 HA CYS 1 0.269 0.124 -2.376 3 HB3 CYS 1 2HB CYS 1 -1.928 1.240 -1.457 4 H THR 2 H THR 2 -1.950 -0.951 -2.112 5 HA THR 2 HA THR 2 -2.881 -1.647 -4.771 6 HB THR 2 HB THR 2 -4.185 -3.413 -3.608 7 HG1 THR 2 1HG THR 2 -2.813 -2.726 -1.233 8 HG21 THR 2 1HG2 THR 2 -2.189 -4.318 -4.247 9 HG22 THR 2 2HG2 THR 2 -2.003 -4.462 -2.499 10 HG23 THR 2 3HG2 THR 2 -1.240 -3.127 -3.360 11 H ALA 3 H ALA 3 -5.045 -1.572 -5.447 12 HA ALA 3 HA ALA 3 -6.533 0.660 -4.375 13 HB1 ALA 3 1HB ALA 3 -8.123 0.047 -6.273 14 HB2 ALA 3 2HB ALA 3 -6.505 0.589 -6.718 15 HB3 ALA 3 3HB ALA 3 -6.903 -1.130 -6.758 16 H SER 4 H SER 4 -6.514 -1.028 -2.358 17 HA SER 4 HA SER 4 -9.047 -2.522 -2.459 18 HB3 SER 4 2HB SER 4 -7.566 -4.100 -1.699 19 HG SER 4 HG SER 4 -5.603 -3.483 -1.337 20 H ILE 5 H ILE 5 -10.171 -2.602 -0.244 21 HA ILE 5 HA ILE 5 -9.993 -0.047 1.174 22 HB ILE 5 HB ILE 5 -11.708 0.413 -0.422 23 HG13 ILE 5 2HG1 ILE 5 -12.091 1.031 1.998 24 HG21 ILE 5 1HG2 ILE 5 -13.512 -0.991 -0.952 25 HG22 ILE 5 2HG2 ILE 5 -12.113 -2.059 -0.885 26 HG23 ILE 5 3HG2 ILE 5 -13.247 -2.008 0.464 27 HD11 ILE 5 1HD1 ILE 5 -13.990 2.096 1.508 28 HD12 ILE 5 2HD1 ILE 5 -13.770 1.408 -0.101 29 HD13 ILE 5 3HD1 ILE 5 -14.827 0.609 1.064 30 HA PRO 6 HA PRO 6 -9.333 0.429 2.866 31 HB3 PRO 6 2HB PRO 6 -9.022 0.304 5.138 32 HG3 PRO 6 2HG PRO 6 -9.125 -1.733 6.254 33 HD3 PRO 6 2HD PRO 6 -11.082 -1.844 5.043 34 HA PRO 7 HA PRO 7 -6.082 -0.783 0.165 35 HB3 PRO 7 2HB PRO 7 -5.508 1.435 -0.001 36 HG3 PRO 7 2HG PRO 7 -5.591 2.838 1.851 37 HD3 PRO 7 2HD PRO 7 -7.684 1.881 1.983 38 H ILE 8 H ILE 8 -4.048 -1.849 -0.005 39 HA ILE 8 HA ILE 8 -3.056 -2.949 2.545 40 HB ILE 8 HB ILE 8 -3.092 -4.366 -0.122 41 HG13 ILE 8 2HG1 ILE 8 -5.356 -4.020 0.899 42 HG21 ILE 8 1HG2 ILE 8 -2.796 -6.134 2.061 43 HG22 ILE 8 2HG2 ILE 8 -1.631 -5.761 0.790 44 HG23 ILE 8 3HG2 ILE 8 -1.637 -4.822 2.284 45 HD11 ILE 8 1HD1 ILE 8 -4.542 -6.205 -0.336 46 HD12 ILE 8 2HD1 ILE 8 -4.838 -6.913 1.252 47 HD13 ILE 8 3HD1 ILE 8 -6.140 -6.087 0.398 48 H CYS 9 H CYS 9 -1.181 -1.962 2.955 49 HA CYS 9 HA CYS 9 0.843 -1.922 0.820 50 HB3 CYS 9 2HB CYS 9 1.497 0.265 1.283 51 HA E9V 10 HA NHI 10 3.318 -3.151 4.247 52 HB2 E9V 10 2HB NHI 10 5.343 -3.164 2.007 53 HB3 E9V 10 3HB NHI 10 5.290 -4.221 3.414 54 HD1 E9V 10 1HD NHI 10 5.211 -5.057 0.303 55 HD2 E9V 10 2HD NHI 10 2.030 -5.010 2.975 56 HE1 E9V 10 1HE NHI 10 3.526 -6.675 -0.628 57 3HN E9V 10 3HN NHI 10 4.078 -2.020 0.865 58 H1 E9V 10 H NHI 10 3.500 -0.449 1.466 59 2HN E9V 10 2HN NHI 10 2.399 -1.516 0.561 60 H DPN 11 H DPH 11 3.347 -0.171 3.456 61 HA DPN 11 HA DPH 11 5.960 0.520 4.613 62 HB2 DPN 11 2HB DPH 11 4.267 0.612 6.390 63 HB3 DPN 11 3HB DPH 11 3.294 1.705 5.413 64 HD1 DPN 11 1HD DPH 11 6.945 1.636 6.150 65 HD2 DPN 11 2HD DPH 11 3.266 3.754 6.460 66 HE1 DPN 11 1HE DPH 11 8.137 3.556 7.123 67 HE2 DPN 11 2HE DPH 11 4.453 5.677 7.434 68 HZ DPN 11 HZ DPH 11 6.890 5.579 7.768 69 HA MMO 12 HA NAR 12 5.180 3.358 1.250 70 HCB1 MMO 12 2HB NAR 12 8.147 2.806 1.428 71 HCB2 MMO 12 3HB NAR 12 7.422 4.170 0.589 72 HCG1 MMO 12 2HG NAR 12 6.938 3.685 3.508 73 HCG2 MMO 12 3HG NAR 12 8.354 4.565 2.929 74 HCD1 MMO 12 2HD NAR 12 5.533 5.297 2.178 75 HCD2 MMO 12 3HD NAR 12 6.366 5.977 3.576 76 HH21 MMO 12 1HH2 NAR 12 8.115 8.348 0.280 77 HH22 MMO 12 2HH2 NAR 12 6.903 9.542 0.596 78 HH11 MMO 12 1HH1 NAR 12 5.044 7.508 2.748 79 HC1 MMO 12 2HN NAR 12 7.227 0.378 3.169 80 HC2 MMO 12 3HN NAR 12 7.284 0.468 1.394 81 HC3 MMO 12 H NAR 12 5.943 -0.381 2.198 82 HE MMO 12 HE NAR 12 7.956 6.299 1.271 83 HH12 MMO 12 2HH1 NAR 12 5.157 9.066 2.000 84 H TRP 13 H TRP 13 4.069 2.202 -0.317 85 HA TRP 13 HA TRP 13 5.684 1.382 -2.588 86 HB3 TRP 13 2HB TRP 13 4.084 -0.702 -2.751 87 HD1 TRP 13 HD TRP 13 5.928 -1.360 0.451 88 HE1 TRP 13 1HE TRP 13 8.159 -2.538 -0.060 89 HE3 TRP 13 3HE TRP 13 6.024 -0.752 -4.625 90 HZ2 TRP 13 2HZ TRP 13 9.749 -3.129 -2.315 91 HZ3 TRP 13 3HZ TRP 13 7.936 -1.652 -5.884 92 HH2 TRP 13 HH TRP 13 9.759 -2.815 -4.752 93 H ARG 14 H ARG 14 4.316 0.968 -4.531 94 HA ARG 14 HA ARG 14 2.410 3.063 -4.823 95 HB3 ARG 14 2HB ARG 14 2.049 1.798 -7.097 96 HG3 ARG 14 2HG ARG 14 4.786 2.908 -6.527 97 HD3 ARG 14 2HD ARG 14 4.808 3.534 -8.819 98 HE ARG 14 HE ARG 14 4.645 0.853 -8.203 99 HH11 ARG 14 1HH2 ARG 14 5.106 -0.790 -9.718 100 HH12 ARG 14 2HH2 ARG 14 4.964 -0.453 -11.409 101 HH21 ARG 14 1HH1 ARG 14 3.972 2.869 -10.959 102 HH22 ARG 14 2HH1 ARG 14 4.320 1.628 -12.117
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