NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620338 | 5ug5 | 30226 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 HT1 ILE 1 5.931 1.566 -6.949 2 H2 ILE 1 HT2 ILE 1 5.800 2.906 -5.934 3 H3 ILE 1 HT3 ILE 1 4.531 2.515 -6.979 4 HA ILE 1 HA ILE 1 4.022 1.882 -4.718 5 HB ILE 1 HB ILE 1 3.533 -0.526 -5.100 6 HG12 ILE 1 HG12 ILE 1 4.976 -0.109 -7.728 7 HG13 ILE 1 HG11 ILE 1 5.607 -1.042 -6.375 8 HG21 ILE 1 HG21 ILE 1 1.995 1.161 -5.897 9 HG22 ILE 1 HG22 ILE 1 2.063 -0.177 -7.043 10 HG23 ILE 1 HG23 ILE 1 2.913 1.327 -7.393 11 HD11 ILE 1 HD11 ILE 1 4.662 -2.483 -8.084 12 HD12 ILE 1 HD12 ILE 1 3.107 -1.664 -7.932 13 HD13 ILE 1 HD13 ILE 1 3.747 -2.602 -6.582 14 H ARG 2 HN ARG 2 4.604 0.919 -2.813 15 HA ARG 2 HA ARG 2 7.414 0.425 -2.445 16 HB2 ARG 2 HB2 ARG 2 5.092 0.314 -0.514 17 HB3 ARG 2 HB1 ARG 2 6.777 0.120 -0.054 18 HG2 ARG 2 HG2 ARG 2 5.594 2.581 -1.323 19 HG3 ARG 2 HG1 ARG 2 5.936 2.376 0.395 20 HD2 ARG 2 HD2 ARG 2 7.968 2.289 -1.833 21 HD3 ARG 2 HD1 ARG 2 7.698 3.644 -0.742 22 HE ARG 2 HE ARG 2 8.446 1.052 0.397 23 HH11 ARG 2 HH11 ARG 2 9.311 4.349 -0.391 24 HH12 ARG 2 HH12 ARG 2 10.693 4.372 0.653 25 HH21 ARG 2 HH21 ARG 2 10.263 1.075 1.779 26 HH22 ARG 2 HH22 ARG 2 11.239 2.505 1.884 27 H ASP 3 HN ASP 3 8.305 -1.485 -1.533 28 HA ASP 3 HA ASP 3 7.003 -3.886 -2.480 29 HB2 ASP 3 HB2 ASP 3 9.373 -3.607 -2.985 30 HB3 ASP 3 HB1 ASP 3 9.735 -3.456 -1.272 31 H GLU 4 HN GLU 4 7.014 -2.112 0.104 32 HA GLU 4 HA GLU 4 6.152 -4.263 1.905 33 HB2 GLU 4 HB2 GLU 4 7.429 -1.608 2.431 34 HB3 GLU 4 HB1 GLU 4 6.383 -2.338 3.631 35 HG2 GLU 4 HG2 GLU 4 8.871 -3.565 2.475 36 HG3 GLU 4 HG1 GLU 4 8.712 -2.849 4.079 37 H CYS 5 HN CYS 5 4.660 -3.114 -0.206 38 HA CYS 5 HA CYS 5 3.193 -0.859 0.293 39 HB2 CYS 5 HB2 CYS 5 3.315 -2.926 -1.634 40 HB3 CYS 5 HB1 CYS 5 1.633 -2.697 -1.208 41 H CYS 6 HN CYS 6 2.568 -4.130 1.441 42 HA CYS 6 HA CYS 6 -0.157 -3.485 2.283 43 HB2 CYS 6 HB2 CYS 6 0.523 -5.742 1.405 44 HB3 CYS 6 HB1 CYS 6 1.519 -5.961 2.834 45 H SER 7 HN SER 7 3.049 -3.592 3.683 46 HA SER 7 HA SER 7 2.133 -3.246 6.386 47 HB2 SER 7 HB2 SER 7 4.807 -2.357 5.404 48 HB3 SER 7 HB1 SER 7 4.381 -3.113 6.934 49 HG SER 7 HG SER 7 5.544 -4.442 5.267 50 H ASN 8 HN ASN 8 2.884 -1.338 3.616 51 HA ASN 8 HA ASN 8 3.527 1.042 5.050 52 HB2 ASN 8 HB2 ASN 8 4.608 0.445 2.907 53 HB3 ASN 8 HB1 ASN 8 3.052 0.598 2.096 54 HD21 ASN 8 HD21 ASN 8 4.414 2.691 4.604 55 HD22 ASN 8 HD22 ASN 8 4.509 4.106 3.610 56 HA PRO 9 HA PRO 9 -0.853 2.187 5.449 57 HB2 PRO 9 HB2 PRO 9 0.566 4.647 6.343 58 HB3 PRO 9 HB1 PRO 9 -0.779 3.804 7.117 59 HG2 PRO 9 HG2 PRO 9 1.627 3.610 8.093 60 HG3 PRO 9 HG1 PRO 9 0.657 2.128 7.923 61 HD2 PRO 9 HD2 PRO 9 2.851 3.180 6.167 62 HD3 PRO 9 HD1 PRO 9 2.572 1.544 6.761 63 H ALA 10 HN ALA 10 1.721 3.973 3.902 64 HA ALA 10 HA ALA 10 0.022 5.886 2.624 65 HB1 ALA 10 HB1 ALA 10 2.035 6.598 1.451 66 HB2 ALA 10 HB2 ALA 10 2.895 5.180 2.053 67 HB3 ALA 10 HB3 ALA 10 2.334 6.417 3.178 68 H CYS 11 HN CYS 11 0.866 2.620 1.875 69 HA CYS 11 HA CYS 11 0.395 3.059 -0.991 70 HB2 CYS 11 HB2 CYS 11 2.288 1.572 -0.555 71 HB3 CYS 11 HB1 CYS 11 1.296 0.583 0.514 72 H ARG 12 HN ARG 12 -0.435 1.200 1.786 73 HA ARG 12 HA ARG 12 -2.760 0.057 1.359 74 HB2 ARG 12 HB2 ARG 12 -1.441 1.394 3.554 75 HB3 ARG 12 HB1 ARG 12 -3.173 1.395 3.714 76 HG2 ARG 12 HG2 ARG 12 -2.026 -0.494 4.848 77 HG3 ARG 12 HG1 ARG 12 -3.252 -0.975 3.691 78 HD2 ARG 12 HD2 ARG 12 -0.492 -0.752 2.705 79 HD3 ARG 12 HD1 ARG 12 -0.907 -2.124 3.744 80 HE ARG 12 HE ARG 12 -1.849 -1.626 1.064 81 HH11 ARG 12 HH11 ARG 12 -2.306 -3.378 4.054 82 HH12 ARG 12 HH12 ARG 12 -3.390 -4.543 3.362 83 HH21 ARG 12 HH21 ARG 12 -3.336 -3.131 0.158 84 HH22 ARG 12 HH22 ARG 12 -3.975 -4.408 1.165 85 H TYR 13 HN TYR 13 -2.239 3.455 1.784 86 HA TYR 13 HA TYR 13 -4.639 4.534 2.328 87 HB2 TYR 13 HB2 TYR 13 -2.327 5.568 1.947 88 HB3 TYR 13 HB1 TYR 13 -2.816 5.734 0.275 89 HD1 TYR 13 HD1 TYR 13 -3.602 6.758 3.740 90 HD2 TYR 13 HD2 TYR 13 -4.199 7.466 -0.385 91 HE1 TYR 13 HE1 TYR 13 -4.742 8.868 4.271 92 HE2 TYR 13 HE2 TYR 13 -5.326 9.562 0.123 93 HH TYR 13 HH TYR 13 -6.558 10.588 1.962 94 H ASN 14 HN ASN 14 -3.471 3.752 -0.953 95 HA ASN 14 HA ASN 14 -6.205 4.377 -1.920 96 HB2 ASN 14 HB2 ASN 14 -4.170 5.827 -2.704 97 HB3 ASN 14 HB1 ASN 14 -3.783 4.435 -3.708 98 HD21 ASN 14 HD21 ASN 14 -4.510 7.093 -4.540 99 HD22 ASN 14 HD22 ASN 14 -5.943 6.944 -5.494 100 H ASN 15 HN ASN 15 -4.573 1.919 -0.958 101 HA ASN 15 HA ASN 15 -5.214 0.167 -3.197 102 HB2 ASN 15 HB2 ASN 15 -2.542 0.683 -2.003 103 HB3 ASN 15 HB1 ASN 15 -2.858 -0.833 -2.854 104 HD21 ASN 15 HD21 ASN 15 -2.138 2.491 -3.112 105 HD22 ASN 15 HD22 ASN 15 -2.103 2.598 -4.838 106 HA HYP 16 HA HYP 16 -5.865 -1.784 0.965 107 HB2 HYP 16 HB1 HYP 16 -7.576 -0.541 1.753 108 HB3 HYP 16 HB2 HYP 16 -8.676 -1.436 0.704 109 HG HYP 16 HG HYP 16 -8.993 0.641 -0.254 110 HD22 HYP 16 HD22 HYP 16 -7.915 -0.528 -2.018 111 HD23 HYP 16 HD23 HYP 16 -6.904 0.920 -1.891 112 HD1 HYP 16 HD1 HYP 16 -6.303 1.437 0.120 113 H HIS 17 HN HIS 17 -6.901 -2.331 -2.132 114 HA HIS 17 HA HIS 17 -7.739 -5.087 -1.509 115 HB2 HIS 17 HB2 HIS 17 -8.294 -3.400 -3.956 116 HB3 HIS 17 HB1 HIS 17 -8.655 -5.119 -3.858 117 HD1 HIS 17 HD1 HIS 17 -10.362 -2.096 -3.660 118 HD2 HIS 17 HD2 HIS 17 -10.312 -5.477 -1.247 119 HE1 HIS 17 HE1 HIS 17 -12.507 -2.025 -2.355 120 HE2 HIS 17 HE2 HIS 17 -12.380 -3.999 -0.793 121 H VAL 18 HN VAL 18 -5.075 -3.501 -2.131 122 HA VAL 18 HA VAL 18 -3.869 -5.138 -4.142 123 HB VAL 18 HB VAL 18 -3.035 -2.922 -2.341 124 HG11 VAL 18 HG11 VAL 18 -1.060 -4.589 -3.870 125 HG12 VAL 18 HG12 VAL 18 -1.225 -4.533 -2.118 126 HG13 VAL 18 HG13 VAL 18 -0.722 -3.094 -3.001 127 HG21 VAL 18 HG21 VAL 18 -2.359 -1.886 -4.422 128 HG22 VAL 18 HG22 VAL 18 -4.024 -2.463 -4.518 129 HG23 VAL 18 HG23 VAL 18 -2.729 -3.374 -5.296 130 H CYS 19 HN CYS 19 -4.459 -5.229 -0.832 131 HA CYS 19 HA CYS 19 -3.372 -7.831 -0.475 132 HB2 CYS 19 HB2 CYS 19 -1.276 -6.658 -0.189 133 HB3 CYS 19 HB1 CYS 19 -2.024 -5.491 0.895 Start of MODEL 2 1 H1 ILE 1 HT1 ILE 1 5.716 1.767 -7.889 2 H2 ILE 1 HT2 ILE 1 5.772 3.161 -6.937 3 H3 ILE 1 HT3 ILE 1 4.495 2.927 -8.017 4 HA ILE 1 HA ILE 1 3.809 2.495 -5.749 5 HB ILE 1 HB ILE 1 3.977 -0.120 -7.255 6 HG12 ILE 1 HG12 ILE 1 1.588 0.749 -8.015 7 HG13 ILE 1 HG11 ILE 1 2.345 2.323 -7.790 8 HG21 ILE 1 HG21 ILE 1 3.115 -0.284 -4.984 9 HG22 ILE 1 HG22 ILE 1 1.847 -0.604 -6.167 10 HG23 ILE 1 HG23 ILE 1 1.911 0.953 -5.343 11 HD11 ILE 1 HD11 ILE 1 3.295 0.125 -9.610 12 HD12 ILE 1 HD12 ILE 1 4.117 1.664 -9.356 13 HD13 ILE 1 HD13 ILE 1 2.514 1.630 -10.089 14 H ARG 2 HN ARG 2 4.219 1.588 -3.778 15 HA ARG 2 HA ARG 2 6.881 0.657 -3.271 16 HB2 ARG 2 HB2 ARG 2 4.505 0.683 -1.405 17 HB3 ARG 2 HB1 ARG 2 6.172 0.445 -0.936 18 HG2 ARG 2 HG2 ARG 2 5.748 2.648 -0.353 19 HG3 ARG 2 HG1 ARG 2 6.586 2.784 -1.896 20 HD2 ARG 2 HD2 ARG 2 4.539 3.211 -3.050 21 HD3 ARG 2 HD1 ARG 2 3.585 2.820 -1.620 22 HE ARG 2 HE ARG 2 5.434 5.016 -1.288 23 HH11 ARG 2 HH11 ARG 2 2.195 4.124 -2.278 24 HH12 ARG 2 HH12 ARG 2 1.511 5.663 -1.862 25 HH21 ARG 2 HH21 ARG 2 4.533 7.041 -0.749 26 HH22 ARG 2 HH22 ARG 2 2.835 7.320 -0.993 27 H ASP 3 HN ASP 3 7.526 -1.407 -2.694 28 HA ASP 3 HA ASP 3 5.735 -3.509 -3.578 29 HB2 ASP 3 HB2 ASP 3 8.065 -3.466 -4.448 30 HB3 ASP 3 HB1 ASP 3 8.646 -3.718 -2.806 31 H GLU 4 HN GLU 4 6.467 -2.001 -0.903 32 HA GLU 4 HA GLU 4 5.863 -4.240 0.896 33 HB2 GLU 4 HB2 GLU 4 7.038 -1.507 1.363 34 HB3 GLU 4 HB1 GLU 4 6.435 -2.510 2.664 35 HG2 GLU 4 HG2 GLU 4 8.622 -3.279 0.752 36 HG3 GLU 4 HG1 GLU 4 8.866 -2.682 2.392 37 H CYS 5 HN CYS 5 4.025 -2.936 -0.879 38 HA CYS 5 HA CYS 5 2.559 -0.845 0.215 39 HB2 CYS 5 HB2 CYS 5 2.550 -1.797 -2.171 40 HB3 CYS 5 HB1 CYS 5 1.340 -2.929 -1.575 41 H CYS 6 HN CYS 6 2.370 -4.265 0.863 42 HA CYS 6 HA CYS 6 -0.254 -4.256 1.978 43 HB2 CYS 6 HB2 CYS 6 0.798 -6.327 1.172 44 HB3 CYS 6 HB1 CYS 6 2.031 -6.193 2.420 45 H SER 7 HN SER 7 2.971 -3.723 3.244 46 HA SER 7 HA SER 7 2.074 -3.535 5.979 47 HB2 SER 7 HB2 SER 7 4.708 -2.549 4.991 48 HB3 SER 7 HB1 SER 7 4.320 -3.370 6.500 49 HG SER 7 HG SER 7 3.864 -5.266 5.147 50 H ASN 8 HN ASN 8 2.675 -1.469 3.250 51 HA ASN 8 HA ASN 8 3.332 0.803 4.876 52 HB2 ASN 8 HB2 ASN 8 4.452 0.358 2.700 53 HB3 ASN 8 HB1 ASN 8 2.915 0.641 1.887 54 HD21 ASN 8 HD21 ASN 8 4.344 2.390 4.610 55 HD22 ASN 8 HD22 ASN 8 4.455 3.914 3.800 56 HA PRO 9 HA PRO 9 -1.061 1.789 5.311 57 HB2 PRO 9 HB2 PRO 9 -0.627 4.147 6.624 58 HB3 PRO 9 HB1 PRO 9 -0.516 2.573 7.377 59 HG2 PRO 9 HG2 PRO 9 1.694 4.213 6.290 60 HG3 PRO 9 HG1 PRO 9 1.548 3.443 7.886 61 HD2 PRO 9 HD2 PRO 9 2.916 2.253 6.006 62 HD3 PRO 9 HD1 PRO 9 1.821 1.293 7.001 63 H ALA 10 HN ALA 10 1.311 4.214 4.457 64 HA ALA 10 HA ALA 10 -0.401 5.968 3.096 65 HB1 ALA 10 HB1 ALA 10 1.604 6.987 2.191 66 HB2 ALA 10 HB2 ALA 10 2.553 5.575 2.653 67 HB3 ALA 10 HB3 ALA 10 1.829 6.595 3.896 68 H CYS 11 HN CYS 11 0.641 2.852 2.096 69 HA CYS 11 HA CYS 11 0.571 3.591 -0.750 70 HB2 CYS 11 HB2 CYS 11 2.440 2.084 0.057 71 HB3 CYS 11 HB1 CYS 11 1.213 0.897 0.500 72 H ARG 12 HN ARG 12 -0.544 1.455 1.691 73 HA ARG 12 HA ARG 12 -2.726 0.313 0.669 74 HB2 ARG 12 HB2 ARG 12 -1.719 1.124 3.280 75 HB3 ARG 12 HB1 ARG 12 -3.427 0.781 3.222 76 HG2 ARG 12 HG2 ARG 12 -3.110 -1.433 2.827 77 HG3 ARG 12 HG1 ARG 12 -1.612 -1.164 1.943 78 HD2 ARG 12 HD2 ARG 12 -1.248 -2.300 4.092 79 HD3 ARG 12 HD1 ARG 12 -0.425 -0.739 3.993 80 HE ARG 12 HE ARG 12 -2.674 -0.035 5.220 81 HH11 ARG 12 HH11 ARG 12 -0.632 -2.829 5.784 82 HH12 ARG 12 HH12 ARG 12 -0.974 -2.885 7.486 83 HH21 ARG 12 HH21 ARG 12 -3.115 -0.106 7.446 84 HH22 ARG 12 HH22 ARG 12 -2.395 -1.343 8.431 85 H TYR 13 HN TYR 13 -2.379 3.626 1.660 86 HA TYR 13 HA TYR 13 -4.977 4.427 2.007 87 HB2 TYR 13 HB2 TYR 13 -2.879 5.779 2.339 88 HB3 TYR 13 HB1 TYR 13 -2.868 6.036 0.601 89 HD1 TYR 13 HD1 TYR 13 -5.099 6.404 3.505 90 HD2 TYR 13 HD2 TYR 13 -3.884 7.881 -0.261 91 HE1 TYR 13 HE1 TYR 13 -6.586 8.313 3.795 92 HE2 TYR 13 HE2 TYR 13 -5.381 9.821 0.011 93 HH TYR 13 HH TYR 13 -7.415 10.419 1.275 94 H ASN 14 HN ASN 14 -3.301 3.663 -0.985 95 HA ASN 14 HA ASN 14 -5.740 4.428 -2.476 96 HB2 ASN 14 HB2 ASN 14 -3.778 5.710 -3.202 97 HB3 ASN 14 HB1 ASN 14 -2.871 4.224 -3.443 98 HD21 ASN 14 HD21 ASN 14 -5.538 6.165 -4.614 99 HD22 ASN 14 HD22 ASN 14 -5.577 5.489 -6.205 100 H ASN 15 HN ASN 15 -4.306 1.964 -1.058 101 HA ASN 15 HA ASN 15 -4.879 -0.029 -3.125 102 HB2 ASN 15 HB2 ASN 15 -2.322 0.637 -1.787 103 HB3 ASN 15 HB1 ASN 15 -2.588 -1.022 -2.330 104 HD21 ASN 15 HD21 ASN 15 -1.774 2.167 -3.205 105 HD22 ASN 15 HD22 ASN 15 -1.584 1.911 -4.904 106 HA HYP 16 HA HYP 16 -5.974 -1.279 1.208 107 HB2 HYP 16 HB1 HYP 16 -7.786 0.017 1.528 108 HB3 HYP 16 HB2 HYP 16 -8.734 -1.110 0.555 109 HG HYP 16 HG HYP 16 -8.969 0.726 -0.830 110 HD22 HYP 16 HD22 HYP 16 -7.662 -0.714 -2.188 111 HD23 HYP 16 HD23 HYP 16 -6.694 0.769 -2.227 112 HD1 HYP 16 HD1 HYP 16 -6.362 1.694 -0.335 113 H HIS 17 HN HIS 17 -6.628 -2.480 -1.807 114 HA HIS 17 HA HIS 17 -7.410 -5.105 -0.708 115 HB2 HIS 17 HB2 HIS 17 -9.168 -3.947 -2.118 116 HB3 HIS 17 HB1 HIS 17 -8.070 -4.094 -3.484 117 HD1 HIS 17 HD1 HIS 17 -8.254 -6.192 -4.815 118 HD2 HIS 17 HD2 HIS 17 -9.966 -6.573 -1.046 119 HE1 HIS 17 HE1 HIS 17 -9.357 -8.449 -4.799 120 HE2 HIS 17 HE2 HIS 17 -10.334 -8.686 -2.491 121 H VAL 18 HN VAL 18 -4.848 -3.541 -1.666 122 HA VAL 18 HA VAL 18 -3.753 -5.064 -3.763 123 HB VAL 18 HB VAL 18 -3.178 -2.702 -2.905 124 HG11 VAL 18 HG11 VAL 18 -1.224 -2.623 -1.426 125 HG12 VAL 18 HG12 VAL 18 -1.361 -4.365 -1.186 126 HG13 VAL 18 HG13 VAL 18 -2.648 -3.298 -0.632 127 HG21 VAL 18 HG21 VAL 18 -0.924 -2.871 -3.825 128 HG22 VAL 18 HG22 VAL 18 -2.128 -3.707 -4.800 129 HG23 VAL 18 HG23 VAL 18 -1.046 -4.628 -3.760 130 H CYS 19 HN CYS 19 -4.242 -5.757 -0.530 131 HA CYS 19 HA CYS 19 -2.319 -7.964 -0.642 132 HB2 CYS 19 HB2 CYS 19 -1.460 -6.073 0.781 133 HB3 CYS 19 HB1 CYS 19 -2.848 -6.315 1.837 Start of MODEL 3 1 H1 ILE 1 HT1 ILE 1 3.620 2.892 -7.090 2 H2 ILE 1 HT2 ILE 1 4.802 1.694 -7.270 3 H3 ILE 1 HT3 ILE 1 5.064 2.988 -6.223 4 HA ILE 1 HA ILE 1 3.377 2.274 -4.750 5 HB ILE 1 HB ILE 1 2.136 0.213 -5.067 6 HG12 ILE 1 HG12 ILE 1 3.910 -0.830 -6.610 7 HG13 ILE 1 HG11 ILE 1 2.223 -1.173 -6.967 8 HG21 ILE 1 HG21 ILE 1 1.091 2.258 -5.793 9 HG22 ILE 1 HG22 ILE 1 0.627 0.939 -6.866 10 HG23 ILE 1 HG23 ILE 1 1.836 2.110 -7.384 11 HD11 ILE 1 HD11 ILE 1 3.945 0.847 -8.385 12 HD12 ILE 1 HD12 ILE 1 2.259 0.490 -8.748 13 HD13 ILE 1 HD13 ILE 1 3.495 -0.745 -8.987 14 H ARG 2 HN ARG 2 3.755 0.722 -3.117 15 HA ARG 2 HA ARG 2 6.442 -0.360 -3.145 16 HB2 ARG 2 HB2 ARG 2 4.430 -0.702 -0.933 17 HB3 ARG 2 HB1 ARG 2 6.180 -0.649 -0.811 18 HG2 ARG 2 HG2 ARG 2 4.463 1.700 -1.550 19 HG3 ARG 2 HG1 ARG 2 4.988 1.335 0.091 20 HD2 ARG 2 HD2 ARG 2 7.294 1.594 -0.547 21 HD3 ARG 2 HD1 ARG 2 6.839 1.810 -2.238 22 HE ARG 2 HE ARG 2 5.617 3.844 -1.444 23 HH11 ARG 2 HH11 ARG 2 8.355 2.598 0.344 24 HH12 ARG 2 HH12 ARG 2 8.805 4.141 0.990 25 HH21 ARG 2 HH21 ARG 2 6.214 5.893 -0.589 26 HH22 ARG 2 HH22 ARG 2 7.591 6.014 0.461 27 H ASP 3 HN ASP 3 6.915 -2.611 -3.038 28 HA ASP 3 HA ASP 3 4.695 -4.350 -3.710 29 HB2 ASP 3 HB2 ASP 3 6.907 -4.552 -4.903 30 HB3 ASP 3 HB1 ASP 3 7.583 -5.162 -3.396 31 H GLU 4 HN GLU 4 5.845 -3.094 -1.152 32 HA GLU 4 HA GLU 4 4.957 -5.235 0.644 33 HB2 GLU 4 HB2 GLU 4 6.118 -3.897 2.395 34 HB3 GLU 4 HB1 GLU 4 7.179 -4.641 1.217 35 HG2 GLU 4 HG2 GLU 4 7.331 -2.485 0.045 36 HG3 GLU 4 HG1 GLU 4 6.328 -1.760 1.302 37 H CYS 5 HN CYS 5 3.495 -3.458 -0.971 38 HA CYS 5 HA CYS 5 2.589 -1.100 0.164 39 HB2 CYS 5 HB2 CYS 5 2.241 -1.950 -2.199 40 HB3 CYS 5 HB1 CYS 5 0.919 -2.922 -1.564 41 H CYS 6 HN CYS 6 1.676 -4.384 0.882 42 HA CYS 6 HA CYS 6 -0.832 -3.709 2.097 43 HB2 CYS 6 HB2 CYS 6 -0.353 -5.952 1.111 44 HB3 CYS 6 HB1 CYS 6 0.778 -6.248 2.425 45 H SER 7 HN SER 7 2.472 -3.861 3.134 46 HA SER 7 HA SER 7 1.818 -3.636 5.935 47 HB2 SER 7 HB2 SER 7 4.456 -2.883 4.764 48 HB3 SER 7 HB1 SER 7 4.104 -3.683 6.289 49 HG SER 7 HG SER 7 4.938 -5.232 4.943 50 H ASN 8 HN ASN 8 2.529 -1.599 3.187 51 HA ASN 8 HA ASN 8 3.377 0.584 4.860 52 HB2 ASN 8 HB2 ASN 8 4.410 -0.010 2.610 53 HB3 ASN 8 HB1 ASN 8 2.962 0.674 1.877 54 HD21 ASN 8 HD21 ASN 8 2.654 2.906 1.921 55 HD22 ASN 8 HD22 ASN 8 3.906 4.006 2.378 56 HA PRO 9 HA PRO 9 -0.851 1.876 5.493 57 HB2 PRO 9 HB2 PRO 9 -0.204 4.321 6.572 58 HB3 PRO 9 HB1 PRO 9 -0.128 2.801 7.434 59 HG2 PRO 9 HG2 PRO 9 2.088 4.230 6.078 60 HG3 PRO 9 HG1 PRO 9 2.019 3.557 7.724 61 HD2 PRO 9 HD2 PRO 9 3.175 2.183 5.834 62 HD3 PRO 9 HD1 PRO 9 2.091 1.346 6.947 63 H ALA 10 HN ALA 10 1.371 4.374 4.375 64 HA ALA 10 HA ALA 10 -0.621 5.889 3.042 65 HB1 ALA 10 HB1 ALA 10 1.177 7.244 2.206 66 HB2 ALA 10 HB2 ALA 10 2.352 5.989 2.592 67 HB3 ALA 10 HB3 ALA 10 1.501 6.828 3.890 68 H CYS 11 HN CYS 11 0.598 2.920 2.119 69 HA CYS 11 HA CYS 11 0.619 3.593 -0.745 70 HB2 CYS 11 HB2 CYS 11 2.481 2.124 0.135 71 HB3 CYS 11 HB1 CYS 11 1.258 0.941 0.597 72 H ARG 12 HN ARG 12 -0.530 1.445 1.686 73 HA ARG 12 HA ARG 12 -2.751 0.363 0.700 74 HB2 ARG 12 HB2 ARG 12 -1.733 1.210 3.298 75 HB3 ARG 12 HB1 ARG 12 -3.445 0.899 3.236 76 HG2 ARG 12 HG2 ARG 12 -3.169 -1.328 2.916 77 HG3 ARG 12 HG1 ARG 12 -1.663 -1.117 2.029 78 HD2 ARG 12 HD2 ARG 12 -1.340 -2.179 4.230 79 HD3 ARG 12 HD1 ARG 12 -0.466 -0.656 4.052 80 HE ARG 12 HE ARG 12 -2.761 0.118 5.240 81 HH11 ARG 12 HH11 ARG 12 -0.531 -2.474 5.971 82 HH12 ARG 12 HH12 ARG 12 -0.754 -2.360 7.689 83 HH21 ARG 12 HH21 ARG 12 -3.071 0.272 7.499 84 HH22 ARG 12 HH22 ARG 12 -2.199 -0.789 8.559 85 H TYR 13 HN TYR 13 -2.293 3.680 1.570 86 HA TYR 13 HA TYR 13 -4.738 4.710 2.022 87 HB2 TYR 13 HB2 TYR 13 -2.569 5.931 1.898 88 HB3 TYR 13 HB1 TYR 13 -2.707 5.898 0.152 89 HD1 TYR 13 HD1 TYR 13 -4.345 7.148 3.195 90 HD2 TYR 13 HD2 TYR 13 -3.892 7.484 -0.990 91 HE1 TYR 13 HE1 TYR 13 -5.596 9.268 3.240 92 HE2 TYR 13 HE2 TYR 13 -5.129 9.587 -0.974 93 HH TYR 13 HH TYR 13 -6.797 10.747 0.443 94 H ASN 14 HN ASN 14 -3.414 3.896 -1.177 95 HA ASN 14 HA ASN 14 -6.132 4.267 -2.281 96 HB2 ASN 14 HB2 ASN 14 -5.031 4.652 -4.475 97 HB3 ASN 14 HB1 ASN 14 -4.589 5.864 -3.278 98 HD21 ASN 14 HD21 ASN 14 -3.494 3.273 -5.262 99 HD22 ASN 14 HD22 ASN 14 -1.807 3.460 -4.937 100 H ASN 15 HN ASN 15 -4.368 2.028 -1.062 101 HA ASN 15 HA ASN 15 -4.874 -0.014 -3.104 102 HB2 ASN 15 HB2 ASN 15 -2.351 0.923 -1.946 103 HB3 ASN 15 HB1 ASN 15 -2.500 -0.824 -2.139 104 HD21 ASN 15 HD21 ASN 15 -0.719 1.055 -3.479 105 HD22 ASN 15 HD22 ASN 15 -1.030 0.885 -5.174 106 HA HYP 16 HA HYP 16 -5.838 -1.300 1.244 107 HB2 HYP 16 HB1 HYP 16 -7.670 -0.047 1.612 108 HB3 HYP 16 HB2 HYP 16 -8.618 -1.215 0.688 109 HG HYP 16 HG HYP 16 -8.955 0.579 -0.718 110 HD22 HYP 16 HD22 HYP 16 -7.626 -0.799 -2.113 111 HD23 HYP 16 HD23 HYP 16 -6.714 0.719 -2.169 112 HD1 HYP 16 HD1 HYP 16 -6.398 1.694 -0.324 113 H HIS 17 HN HIS 17 -6.487 -2.554 -1.744 114 HA HIS 17 HA HIS 17 -6.922 -5.211 -0.554 115 HB2 HIS 17 HB2 HIS 17 -8.322 -5.899 -2.410 116 HB3 HIS 17 HB1 HIS 17 -9.007 -4.465 -1.665 117 HD1 HIS 17 HD1 HIS 17 -9.425 -2.489 -3.163 118 HD2 HIS 17 HD2 HIS 17 -7.123 -5.424 -4.993 119 HE1 HIS 17 HE1 HIS 17 -9.250 -1.806 -5.574 120 HE2 HIS 17 HE2 HIS 17 -8.028 -3.701 -6.693 121 H VAL 18 HN VAL 18 -4.555 -3.628 -1.519 122 HA VAL 18 HA VAL 18 -3.614 -4.894 -3.882 123 HB VAL 18 HB VAL 18 -3.119 -2.558 -3.018 124 HG11 VAL 18 HG11 VAL 18 -1.136 -4.081 -1.362 125 HG12 VAL 18 HG12 VAL 18 -2.535 -3.200 -0.756 126 HG13 VAL 18 HG13 VAL 18 -1.215 -2.327 -1.535 127 HG21 VAL 18 HG21 VAL 18 -0.822 -4.286 -3.873 128 HG22 VAL 18 HG22 VAL 18 -0.908 -2.529 -3.998 129 HG23 VAL 18 HG23 VAL 18 -2.011 -3.535 -4.931 130 H CYS 19 HN CYS 19 -3.876 -5.963 -0.772 131 HA CYS 19 HA CYS 19 -1.369 -7.113 -0.245 132 HB2 CYS 19 HB2 CYS 19 -4.096 -7.961 0.739 133 HB3 CYS 19 HB1 CYS 19 -2.555 -8.432 1.449 Start of MODEL 4 1 H1 ILE 1 HT1 ILE 1 4.308 3.989 -6.356 2 H2 ILE 1 HT2 ILE 1 3.804 4.489 -4.823 3 H3 ILE 1 HT3 ILE 1 2.668 4.285 -6.058 4 HA ILE 1 HA ILE 1 2.609 2.466 -4.480 5 HB ILE 1 HB ILE 1 1.940 1.996 -6.756 6 HG12 ILE 1 HG12 ILE 1 3.703 -0.205 -5.665 7 HG13 ILE 1 HG11 ILE 1 2.030 0.098 -5.212 8 HG21 ILE 1 HG21 ILE 1 3.880 2.780 -7.953 9 HG22 ILE 1 HG22 ILE 1 3.532 1.114 -8.418 10 HG23 ILE 1 HG23 ILE 1 4.852 1.461 -7.301 11 HD11 ILE 1 HD11 ILE 1 1.320 -0.428 -7.482 12 HD12 ILE 1 HD12 ILE 1 2.214 -1.765 -6.756 13 HD13 ILE 1 HD13 ILE 1 2.997 -0.720 -7.940 14 H ARG 2 HN ARG 2 3.634 0.769 -3.446 15 HA ARG 2 HA ARG 2 6.568 0.793 -3.531 16 HB2 ARG 2 HB2 ARG 2 4.781 0.470 -1.110 17 HB3 ARG 2 HB1 ARG 2 6.533 0.326 -1.098 18 HG2 ARG 2 HG2 ARG 2 4.993 2.814 -1.797 19 HG3 ARG 2 HG1 ARG 2 5.771 2.486 -0.250 20 HD2 ARG 2 HD2 ARG 2 7.161 2.709 -2.918 21 HD3 ARG 2 HD1 ARG 2 7.141 3.941 -1.659 22 HE ARG 2 HE ARG 2 8.169 1.370 -0.829 23 HH11 ARG 2 HH11 ARG 2 8.927 4.523 -2.136 24 HH12 ARG 2 HH12 ARG 2 10.596 4.453 -1.670 25 HH21 ARG 2 HH21 ARG 2 10.366 1.277 -0.207 26 HH22 ARG 2 HH22 ARG 2 11.414 2.608 -0.576 27 H ASP 3 HN ASP 3 7.588 -1.244 -2.978 28 HA ASP 3 HA ASP 3 5.936 -3.539 -3.613 29 HB2 ASP 3 HB2 ASP 3 8.232 -3.249 -4.627 30 HB3 ASP 3 HB1 ASP 3 8.898 -3.517 -3.019 31 H GLU 4 HN GLU 4 6.592 -1.813 -1.126 32 HA GLU 4 HA GLU 4 6.187 -3.953 0.856 33 HB2 GLU 4 HB2 GLU 4 7.624 -1.354 0.933 34 HB3 GLU 4 HB1 GLU 4 6.716 -1.794 2.367 35 HG2 GLU 4 HG2 GLU 4 8.747 -3.609 1.105 36 HG3 GLU 4 HG1 GLU 4 9.155 -2.425 2.347 37 H CYS 5 HN CYS 5 4.286 -2.727 -0.957 38 HA CYS 5 HA CYS 5 2.933 -0.534 0.104 39 HB2 CYS 5 HB2 CYS 5 2.834 -1.505 -2.264 40 HB3 CYS 5 HB1 CYS 5 1.620 -2.611 -1.629 41 H CYS 6 HN CYS 6 2.550 -3.963 0.753 42 HA CYS 6 HA CYS 6 -0.041 -3.602 1.946 43 HB2 CYS 6 HB2 CYS 6 0.765 -5.739 0.804 44 HB3 CYS 6 HB1 CYS 6 1.707 -6.040 2.262 45 H SER 7 HN SER 7 3.257 -3.516 2.992 46 HA SER 7 HA SER 7 2.628 -3.539 5.792 47 HB2 SER 7 HB2 SER 7 5.070 -2.238 4.704 48 HB3 SER 7 HB1 SER 7 4.891 -3.285 6.107 49 HG SER 7 HG SER 7 5.996 -4.196 4.186 50 H ASN 8 HN ASN 8 2.977 -1.227 3.196 51 HA ASN 8 HA ASN 8 3.410 0.973 4.949 52 HB2 ASN 8 HB2 ASN 8 3.289 0.529 1.994 53 HB3 ASN 8 HB1 ASN 8 3.272 2.148 2.637 54 HD21 ASN 8 HD21 ASN 8 5.249 2.669 1.709 55 HD22 ASN 8 HD22 ASN 8 6.744 2.019 2.293 56 HA PRO 9 HA PRO 9 -1.063 1.514 5.425 57 HB2 PRO 9 HB2 PRO 9 -0.842 3.865 6.813 58 HB3 PRO 9 HB1 PRO 9 -0.597 2.282 7.514 59 HG2 PRO 9 HG2 PRO 9 1.467 4.150 6.501 60 HG3 PRO 9 HG1 PRO 9 1.385 3.302 8.063 61 HD2 PRO 9 HD2 PRO 9 2.854 2.314 6.139 62 HD3 PRO 9 HD1 PRO 9 1.851 1.223 7.092 63 H ALA 10 HN ALA 10 1.071 4.172 4.636 64 HA ALA 10 HA ALA 10 -0.904 5.750 3.351 65 HB1 ALA 10 HB1 ALA 10 0.908 7.182 2.662 66 HB2 ALA 10 HB2 ALA 10 2.085 5.929 3.050 67 HB3 ALA 10 HB3 ALA 10 1.146 6.684 4.338 68 H CYS 11 HN CYS 11 0.562 2.897 2.260 69 HA CYS 11 HA CYS 11 0.598 3.783 -0.549 70 HB2 CYS 11 HB2 CYS 11 2.554 2.412 0.281 71 HB3 CYS 11 HB1 CYS 11 1.428 1.096 0.607 72 H ARG 12 HN ARG 12 -0.472 1.420 1.704 73 HA ARG 12 HA ARG 12 -2.573 0.254 0.534 74 HB2 ARG 12 HB2 ARG 12 -1.751 0.999 3.241 75 HB3 ARG 12 HB1 ARG 12 -3.417 0.527 3.047 76 HG2 ARG 12 HG2 ARG 12 -2.899 -1.635 2.599 77 HG3 ARG 12 HG1 ARG 12 -1.392 -1.208 1.795 78 HD2 ARG 12 HD2 ARG 12 -1.019 -2.411 3.906 79 HD3 ARG 12 HD1 ARG 12 -0.330 -0.785 3.916 80 HE ARG 12 HE ARG 12 -2.641 -0.294 5.084 81 HH11 ARG 12 HH11 ARG 12 -0.520 -3.046 5.587 82 HH12 ARG 12 HH12 ARG 12 -0.974 -3.233 7.255 83 HH21 ARG 12 HH21 ARG 12 -3.234 -0.559 7.261 84 HH22 ARG 12 HH22 ARG 12 -2.519 -1.835 8.199 85 H TYR 13 HN TYR 13 -2.355 3.529 1.643 86 HA TYR 13 HA TYR 13 -4.975 4.323 1.820 87 HB2 TYR 13 HB2 TYR 13 -2.951 5.684 2.323 88 HB3 TYR 13 HB1 TYR 13 -2.709 5.871 0.596 89 HD1 TYR 13 HD1 TYR 13 -5.170 6.535 3.256 90 HD2 TYR 13 HD2 TYR 13 -3.648 7.590 -0.537 91 HE1 TYR 13 HE1 TYR 13 -6.597 8.542 3.252 92 HE2 TYR 13 HE2 TYR 13 -5.053 9.588 -0.568 93 HH TYR 13 HH TYR 13 -7.226 10.336 0.512 94 H ASN 14 HN ASN 14 -3.125 3.468 -1.020 95 HA ASN 14 HA ASN 14 -5.379 4.353 -2.722 96 HB2 ASN 14 HB2 ASN 14 -3.170 5.472 -3.171 97 HB3 ASN 14 HB1 ASN 14 -2.497 3.892 -3.551 98 HD21 ASN 14 HD21 ASN 14 -4.726 6.377 -4.560 99 HD22 ASN 14 HD22 ASN 14 -4.863 5.858 -6.205 100 H ASN 15 HN ASN 15 -4.205 1.872 -1.146 101 HA ASN 15 HA ASN 15 -4.773 -0.142 -3.189 102 HB2 ASN 15 HB2 ASN 15 -2.302 0.306 -1.604 103 HB3 ASN 15 HB1 ASN 15 -2.675 -1.312 -2.214 104 HD21 ASN 15 HD21 ASN 15 -1.492 1.807 -2.936 105 HD22 ASN 15 HD22 ASN 15 -1.156 1.550 -4.613 106 HA HYP 16 HA HYP 16 -6.401 -1.148 1.056 107 HB2 HYP 16 HB1 HYP 16 -8.101 0.319 1.190 108 HB3 HYP 16 HB2 HYP 16 -9.052 -0.706 0.110 109 HG HYP 16 HG HYP 16 -8.926 1.152 -1.261 110 HD22 HYP 16 HD22 HYP 16 -7.692 -0.466 -2.488 111 HD23 HYP 16 HD23 HYP 16 -6.559 0.896 -2.452 112 HD1 HYP 16 HD1 HYP 16 -6.276 1.780 -0.495 113 H HIS 17 HN HIS 17 -6.846 -2.355 -1.981 114 HA HIS 17 HA HIS 17 -8.058 -4.837 -0.953 115 HB2 HIS 17 HB2 HIS 17 -7.843 -3.782 -3.776 116 HB3 HIS 17 HB1 HIS 17 -8.310 -5.438 -3.409 117 HD1 HIS 17 HD1 HIS 17 -9.776 -2.301 -4.152 118 HD2 HIS 17 HD2 HIS 17 -10.669 -5.363 -1.490 119 HE1 HIS 17 HE1 HIS 17 -12.198 -2.000 -3.565 120 HE2 HIS 17 HE2 HIS 17 -12.641 -3.719 -1.780 121 H VAL 18 HN VAL 18 -5.192 -3.626 -1.038 122 HA VAL 18 HA VAL 18 -3.737 -5.718 -2.359 123 HB VAL 18 HB VAL 18 -3.080 -3.160 -1.015 124 HG11 VAL 18 HG11 VAL 18 -1.583 -4.700 0.101 125 HG12 VAL 18 HG12 VAL 18 -0.702 -3.641 -0.997 126 HG13 VAL 18 HG13 VAL 18 -1.031 -5.311 -1.456 127 HG21 VAL 18 HG21 VAL 18 -2.195 -4.466 -3.575 128 HG22 VAL 18 HG22 VAL 18 -1.736 -2.847 -3.045 129 HG23 VAL 18 HG23 VAL 18 -3.424 -3.215 -3.401 130 H CYS 19 HN CYS 19 -4.761 -4.833 0.795 131 HA CYS 19 HA CYS 19 -3.527 -7.273 1.883 132 HB2 CYS 19 HB2 CYS 19 -4.227 -4.780 3.448 133 HB3 CYS 19 HB1 CYS 19 -3.366 -6.195 4.040 Start of MODEL 5 1 H1 ILE 1 HT1 ILE 1 6.711 4.751 -4.669 2 H2 ILE 1 HT2 ILE 1 5.834 4.378 -6.063 3 H3 ILE 1 HT3 ILE 1 7.290 3.579 -5.738 4 HA ILE 1 HA ILE 1 4.847 3.401 -4.085 5 HB ILE 1 HB ILE 1 4.721 1.064 -4.889 6 HG12 ILE 1 HG12 ILE 1 6.799 1.938 -6.908 7 HG13 ILE 1 HG11 ILE 1 7.095 0.840 -5.566 8 HG21 ILE 1 HG21 ILE 1 4.577 3.157 -7.054 9 HG22 ILE 1 HG22 ILE 1 3.311 2.764 -5.891 10 HG23 ILE 1 HG23 ILE 1 3.795 1.576 -7.102 11 HD11 ILE 1 HD11 ILE 1 5.509 -0.749 -6.520 12 HD12 ILE 1 HD12 ILE 1 6.810 -0.371 -7.648 13 HD13 ILE 1 HD13 ILE 1 5.217 0.353 -7.865 14 H ARG 2 HN ARG 2 5.207 0.969 -3.050 15 HA ARG 2 HA ARG 2 7.870 0.996 -1.825 16 HB2 ARG 2 HB2 ARG 2 5.232 0.480 -0.443 17 HB3 ARG 2 HB1 ARG 2 6.808 0.258 0.297 18 HG2 ARG 2 HG2 ARG 2 5.759 2.882 -0.734 19 HG3 ARG 2 HG1 ARG 2 5.693 2.357 0.950 20 HD2 ARG 2 HD2 ARG 2 8.163 2.163 0.935 21 HD3 ARG 2 HD1 ARG 2 8.172 2.807 -0.707 22 HE ARG 2 HE ARG 2 6.800 4.673 0.719 23 HH11 ARG 2 HH11 ARG 2 9.959 3.190 1.019 24 HH12 ARG 2 HH12 ARG 2 10.657 4.556 1.828 25 HH21 ARG 2 HH21 ARG 2 7.743 6.481 1.764 26 HH22 ARG 2 HH22 ARG 2 9.408 6.418 2.245 27 H ASP 3 HN ASP 3 8.719 -1.006 -1.283 28 HA ASP 3 HA ASP 3 7.499 -3.288 -2.602 29 HB2 ASP 3 HB2 ASP 3 9.899 -2.880 -3.003 30 HB3 ASP 3 HB1 ASP 3 10.202 -3.011 -1.276 31 H GLU 4 HN GLU 4 7.508 -1.790 0.150 32 HA GLU 4 HA GLU 4 6.660 -4.092 1.761 33 HB2 GLU 4 HB2 GLU 4 7.696 -1.373 2.570 34 HB3 GLU 4 HB1 GLU 4 6.998 -2.534 3.676 35 HG2 GLU 4 HG2 GLU 4 8.774 -4.076 3.319 36 HG3 GLU 4 HG1 GLU 4 9.398 -3.120 1.975 37 H CYS 5 HN CYS 5 5.219 -2.720 -0.274 38 HA CYS 5 HA CYS 5 3.749 -0.511 0.479 39 HB2 CYS 5 HB2 CYS 5 3.977 -2.225 -1.749 40 HB3 CYS 5 HB1 CYS 5 2.272 -2.125 -1.357 41 H CYS 6 HN CYS 6 2.964 -3.949 0.812 42 HA CYS 6 HA CYS 6 0.268 -3.505 1.617 43 HB2 CYS 6 HB2 CYS 6 1.051 -5.658 0.677 44 HB3 CYS 6 HB1 CYS 6 2.027 -5.920 2.117 45 H SER 7 HN SER 7 3.318 -3.716 3.348 46 HA SER 7 HA SER 7 2.154 -3.649 5.955 47 HB2 SER 7 HB2 SER 7 4.828 -2.487 5.366 48 HB3 SER 7 HB1 SER 7 4.324 -3.506 6.714 49 HG SER 7 HG SER 7 4.030 -5.127 4.820 50 H ASN 8 HN ASN 8 2.745 -1.388 3.442 51 HA ASN 8 HA ASN 8 3.162 0.798 5.291 52 HB2 ASN 8 HB2 ASN 8 4.684 0.610 3.386 53 HB3 ASN 8 HB1 ASN 8 3.322 0.707 2.273 54 HD21 ASN 8 HD21 ASN 8 5.278 2.477 4.566 55 HD22 ASN 8 HD22 ASN 8 4.823 4.056 4.024 56 HA PRO 9 HA PRO 9 -1.245 1.624 5.106 57 HB2 PRO 9 HB2 PRO 9 -1.145 3.937 6.538 58 HB3 PRO 9 HB1 PRO 9 -0.971 2.350 7.252 59 HG2 PRO 9 HG2 PRO 9 1.193 4.206 6.447 60 HG3 PRO 9 HG1 PRO 9 0.937 3.392 8.007 61 HD2 PRO 9 HD2 PRO 9 2.593 2.354 6.262 62 HD3 PRO 9 HD1 PRO 9 1.492 1.292 7.140 63 H ALA 10 HN ALA 10 1.134 4.108 4.531 64 HA ALA 10 HA ALA 10 -0.457 5.923 3.114 65 HB1 ALA 10 HB1 ALA 10 1.636 6.884 2.299 66 HB2 ALA 10 HB2 ALA 10 2.507 5.457 2.859 67 HB3 ALA 10 HB3 ALA 10 1.713 6.520 4.021 68 H CYS 11 HN CYS 11 0.728 2.847 2.068 69 HA CYS 11 HA CYS 11 0.639 3.628 -0.759 70 HB2 CYS 11 HB2 CYS 11 2.538 2.229 -0.327 71 HB3 CYS 11 HB1 CYS 11 1.591 1.137 0.678 72 H ARG 12 HN ARG 12 -0.450 1.330 1.576 73 HA ARG 12 HA ARG 12 -2.619 0.241 0.433 74 HB2 ARG 12 HB2 ARG 12 -1.505 0.637 3.012 75 HB3 ARG 12 HB1 ARG 12 -3.246 0.774 3.097 76 HG2 ARG 12 HG2 ARG 12 -2.661 -1.462 3.508 77 HG3 ARG 12 HG1 ARG 12 -3.397 -1.402 1.919 78 HD2 ARG 12 HD2 ARG 12 -0.463 -1.544 2.550 79 HD3 ARG 12 HD1 ARG 12 -1.462 -2.879 1.988 80 HE ARG 12 HE ARG 12 -0.847 -0.495 0.362 81 HH11 ARG 12 HH11 ARG 12 -1.513 -3.913 0.612 82 HH12 ARG 12 HH12 ARG 12 -0.965 -4.263 -0.996 83 HH21 ARG 12 HH21 ARG 12 -0.131 -0.962 -1.770 84 HH22 ARG 12 HH22 ARG 12 -0.189 -2.598 -2.342 85 H TYR 13 HN TYR 13 -2.296 3.458 1.633 86 HA TYR 13 HA TYR 13 -4.803 4.350 2.045 87 HB2 TYR 13 HB2 TYR 13 -2.832 5.725 2.309 88 HB3 TYR 13 HB1 TYR 13 -2.583 5.728 0.570 89 HD1 TYR 13 HD1 TYR 13 -5.231 6.607 3.012 90 HD2 TYR 13 HD2 TYR 13 -3.232 7.506 -0.596 91 HE1 TYR 13 HE1 TYR 13 -6.590 8.647 2.779 92 HE2 TYR 13 HE2 TYR 13 -4.562 9.538 -0.851 93 HH TYR 13 HH TYR 13 -6.432 10.850 1.634 94 H ASN 14 HN ASN 14 -3.317 3.781 -1.142 95 HA ASN 14 HA ASN 14 -5.968 4.362 -2.315 96 HB2 ASN 14 HB2 ASN 14 -4.835 4.898 -4.420 97 HB3 ASN 14 HB1 ASN 14 -4.256 5.936 -3.126 98 HD21 ASN 14 HD21 ASN 14 -3.460 3.429 -5.361 99 HD22 ASN 14 HD22 ASN 14 -1.755 3.427 -5.069 100 H ASN 15 HN ASN 15 -4.326 2.007 -1.180 101 HA ASN 15 HA ASN 15 -4.935 0.054 -3.274 102 HB2 ASN 15 HB2 ASN 15 -2.329 0.744 -2.039 103 HB3 ASN 15 HB1 ASN 15 -2.587 -0.907 -2.596 104 HD21 ASN 15 HD21 ASN 15 -0.674 1.084 -3.541 105 HD22 ASN 15 HD22 ASN 15 -1.006 1.318 -5.221 106 HA HYP 16 HA HYP 16 -5.769 -1.138 1.172 107 HB2 HYP 16 HB1 HYP 16 -7.440 0.309 1.573 108 HB3 HYP 16 HB2 HYP 16 -8.551 -0.844 0.829 109 HG HYP 16 HG HYP 16 -8.894 0.832 -0.707 110 HD22 HYP 16 HD22 HYP 16 -7.714 -0.664 -2.096 111 HD23 HYP 16 HD23 HYP 16 -6.729 0.795 -2.286 112 HD1 HYP 16 HD1 HYP 16 -6.251 1.825 -0.400 113 H HIS 17 HN HIS 17 -6.651 -2.491 -1.691 114 HA HIS 17 HA HIS 17 -7.099 -5.074 -0.380 115 HB2 HIS 17 HB2 HIS 17 -9.329 -4.125 -1.046 116 HB3 HIS 17 HB1 HIS 17 -8.780 -4.124 -2.715 117 HD1 HIS 17 HD1 HIS 17 -9.709 -6.036 -3.955 118 HD2 HIS 17 HD2 HIS 17 -8.959 -6.999 0.018 119 HE1 HIS 17 HE1 HIS 17 -10.392 -8.443 -3.699 120 HE2 HIS 17 HE2 HIS 17 -9.812 -9.039 -1.323 121 H VAL 18 HN VAL 18 -4.774 -3.988 -1.476 122 HA VAL 18 HA VAL 18 -4.540 -4.982 -4.181 123 HB VAL 18 HB VAL 18 -3.054 -3.041 -2.493 124 HG11 VAL 18 HG11 VAL 18 -1.318 -4.486 -3.400 125 HG12 VAL 18 HG12 VAL 18 -1.276 -2.876 -4.115 126 HG13 VAL 18 HG13 VAL 18 -1.952 -4.230 -5.021 127 HG21 VAL 18 HG21 VAL 18 -3.430 -1.597 -4.371 128 HG22 VAL 18 HG22 VAL 18 -4.943 -2.391 -3.927 129 HG23 VAL 18 HG23 VAL 18 -4.033 -2.949 -5.331 130 H CYS 19 HN CYS 19 -3.523 -5.720 -0.986 131 HA CYS 19 HA CYS 19 -1.938 -7.945 -2.076 132 HB2 CYS 19 HB2 CYS 19 -0.905 -8.091 0.228 133 HB3 CYS 19 HB1 CYS 19 -0.484 -6.661 -0.703 Start of MODEL 6 1 H1 ILE 1 HT1 ILE 1 2.176 2.956 -5.430 2 H2 ILE 1 HT2 ILE 1 2.040 2.698 -3.765 3 H3 ILE 1 HT3 ILE 1 2.422 1.411 -4.791 4 HA ILE 1 HA ILE 1 4.514 2.431 -5.369 5 HB ILE 1 HB ILE 1 5.332 4.364 -4.124 6 HG12 ILE 1 HG12 ILE 1 2.524 4.571 -3.010 7 HG13 ILE 1 HG11 ILE 1 3.932 4.039 -2.098 8 HG21 ILE 1 HG21 ILE 1 3.960 6.091 -5.198 9 HG22 ILE 1 HG22 ILE 1 2.709 4.889 -5.515 10 HG23 ILE 1 HG23 ILE 1 4.289 4.740 -6.283 11 HD11 ILE 1 HD11 ILE 1 3.515 6.763 -3.304 12 HD12 ILE 1 HD12 ILE 1 4.960 6.237 -2.441 13 HD13 ILE 1 HD13 ILE 1 3.418 6.338 -1.594 14 H ARG 2 HN ARG 2 6.413 2.172 -3.997 15 HA ARG 2 HA ARG 2 7.672 1.154 -2.437 16 HB2 ARG 2 HB2 ARG 2 6.274 2.574 -0.916 17 HB3 ARG 2 HB1 ARG 2 5.206 1.201 -0.742 18 HG2 ARG 2 HG2 ARG 2 6.598 1.223 1.167 19 HG3 ARG 2 HG1 ARG 2 7.192 -0.081 0.139 20 HD2 ARG 2 HD2 ARG 2 9.047 1.211 1.018 21 HD3 ARG 2 HD1 ARG 2 8.938 1.406 -0.728 22 HE ARG 2 HE ARG 2 7.533 3.467 0.659 23 HH11 ARG 2 HH11 ARG 2 10.724 2.435 -0.351 24 HH12 ARG 2 HH12 ARG 2 11.382 4.040 -0.347 25 HH21 ARG 2 HH21 ARG 2 8.407 5.588 0.651 26 HH22 ARG 2 HH22 ARG 2 10.068 5.827 0.211 27 H ASP 3 HN ASP 3 8.215 -0.948 -1.955 28 HA ASP 3 HA ASP 3 6.407 -2.956 -3.039 29 HB2 ASP 3 HB2 ASP 3 8.768 -2.863 -3.843 30 HB3 ASP 3 HB1 ASP 3 9.298 -3.267 -2.216 31 H GLU 4 HN GLU 4 6.591 -1.592 -0.366 32 HA GLU 4 HA GLU 4 6.135 -3.957 1.307 33 HB2 GLU 4 HB2 GLU 4 6.968 -1.148 2.032 34 HB3 GLU 4 HB1 GLU 4 6.415 -2.329 3.195 35 HG2 GLU 4 HG2 GLU 4 8.837 -2.594 1.438 36 HG3 GLU 4 HG1 GLU 4 8.846 -2.182 3.151 37 H CYS 5 HN CYS 5 4.361 -2.722 -0.592 38 HA CYS 5 HA CYS 5 2.748 -0.683 0.309 39 HB2 CYS 5 HB2 CYS 5 2.775 -1.511 -2.007 40 HB3 CYS 5 HB1 CYS 5 1.909 -2.955 -1.493 41 H CYS 6 HN CYS 6 2.426 -4.126 1.026 42 HA CYS 6 HA CYS 6 -0.253 -3.869 2.012 43 HB2 CYS 6 HB2 CYS 6 0.769 -6.002 1.096 44 HB3 CYS 6 HB1 CYS 6 1.669 -6.124 2.604 45 H SER 7 HN SER 7 2.916 -3.498 3.317 46 HA SER 7 HA SER 7 1.945 -3.376 6.065 47 HB2 SER 7 HB2 SER 7 4.321 -4.197 5.152 48 HB3 SER 7 HB1 SER 7 4.666 -2.465 5.289 49 HG SER 7 HG SER 7 3.847 -4.246 7.340 50 H ASN 8 HN ASN 8 2.810 -1.354 3.387 51 HA ASN 8 HA ASN 8 3.475 0.922 4.984 52 HB2 ASN 8 HB2 ASN 8 4.671 0.515 2.908 53 HB3 ASN 8 HB1 ASN 8 3.165 0.579 1.999 54 HD21 ASN 8 HD21 ASN 8 4.031 2.217 0.693 55 HD22 ASN 8 HD22 ASN 8 4.175 3.844 1.255 56 HA PRO 9 HA PRO 9 -0.882 2.016 5.420 57 HB2 PRO 9 HB2 PRO 9 0.523 4.390 6.552 58 HB3 PRO 9 HB1 PRO 9 -0.832 3.481 7.229 59 HG2 PRO 9 HG2 PRO 9 1.551 3.178 8.215 60 HG3 PRO 9 HG1 PRO 9 0.593 1.722 7.865 61 HD2 PRO 9 HD2 PRO 9 2.804 2.967 6.258 62 HD3 PRO 9 HD1 PRO 9 2.536 1.276 6.682 63 H ALA 10 HN ALA 10 1.665 4.047 4.122 64 HA ALA 10 HA ALA 10 -0.044 6.015 2.993 65 HB1 ALA 10 HB1 ALA 10 2.803 5.328 2.282 66 HB2 ALA 10 HB2 ALA 10 2.294 6.473 3.523 67 HB3 ALA 10 HB3 ALA 10 1.945 6.799 1.826 68 H CYS 11 HN CYS 11 0.769 2.802 1.943 69 HA CYS 11 HA CYS 11 0.411 3.535 -0.886 70 HB2 CYS 11 HB2 CYS 11 2.325 2.020 -0.400 71 HB3 CYS 11 HB1 CYS 11 1.207 0.879 0.357 72 H ARG 12 HN ARG 12 -0.446 1.379 1.630 73 HA ARG 12 HA ARG 12 -2.682 0.191 0.893 74 HB2 ARG 12 HB2 ARG 12 -1.536 1.224 3.365 75 HB3 ARG 12 HB1 ARG 12 -3.235 0.840 3.436 76 HG2 ARG 12 HG2 ARG 12 -2.885 -1.388 3.207 77 HG3 ARG 12 HG1 ARG 12 -1.464 -1.161 2.193 78 HD2 ARG 12 HD2 ARG 12 -0.887 -2.109 4.371 79 HD3 ARG 12 HD1 ARG 12 -0.149 -0.526 4.111 80 HE ARG 12 HE ARG 12 -2.188 0.271 5.490 81 HH11 ARG 12 HH11 ARG 12 -0.553 -2.793 5.950 82 HH12 ARG 12 HH12 ARG 12 -0.871 -2.846 7.654 83 HH21 ARG 12 HH21 ARG 12 -2.613 0.206 7.721 84 HH22 ARG 12 HH22 ARG 12 -2.050 -1.138 8.668 85 H TYR 13 HN TYR 13 -2.417 3.553 1.852 86 HA TYR 13 HA TYR 13 -5.023 4.298 2.188 87 HB2 TYR 13 HB2 TYR 13 -3.151 5.763 2.622 88 HB3 TYR 13 HB1 TYR 13 -2.750 5.792 0.914 89 HD1 TYR 13 HD1 TYR 13 -5.501 6.685 3.227 90 HD2 TYR 13 HD2 TYR 13 -3.487 7.441 -0.405 91 HE1 TYR 13 HE1 TYR 13 -6.878 8.700 2.897 92 HE2 TYR 13 HE2 TYR 13 -4.839 9.445 -0.759 93 HH TYR 13 HH TYR 13 -7.067 10.322 -0.047 94 H ASN 14 HN ASN 14 -3.356 3.539 -0.809 95 HA ASN 14 HA ASN 14 -5.761 4.395 -2.308 96 HB2 ASN 14 HB2 ASN 14 -3.720 5.678 -2.892 97 HB3 ASN 14 HB1 ASN 14 -2.892 4.175 -3.277 98 HD21 ASN 14 HD21 ASN 14 -5.330 6.446 -4.273 99 HD22 ASN 14 HD22 ASN 14 -5.480 5.871 -5.896 100 H ASN 15 HN ASN 15 -4.348 1.866 -0.966 101 HA ASN 15 HA ASN 15 -4.906 -0.018 -3.132 102 HB2 ASN 15 HB2 ASN 15 -2.351 0.462 -1.685 103 HB3 ASN 15 HB1 ASN 15 -2.663 -1.097 -2.459 104 HD21 ASN 15 HD21 ASN 15 -1.764 2.177 -2.885 105 HD22 ASN 15 HD22 ASN 15 -1.523 2.133 -4.598 106 HA HYP 16 HA HYP 16 -6.088 -1.609 1.058 107 HB2 HYP 16 HB1 HYP 16 -7.818 -0.233 1.523 108 HB3 HYP 16 HB2 HYP 16 -8.834 -1.202 0.450 109 HG HYP 16 HG HYP 16 -8.965 0.778 -0.743 110 HD22 HYP 16 HD22 HYP 16 -7.742 -0.611 -2.240 111 HD23 HYP 16 HD23 HYP 16 -6.706 0.826 -2.158 112 HD1 HYP 16 HD1 HYP 16 -6.295 1.511 -0.120 113 H HIS 17 HN HIS 17 -6.740 -2.367 -2.077 114 HA HIS 17 HA HIS 17 -7.934 -4.980 -1.441 115 HB2 HIS 17 HB2 HIS 17 -9.013 -3.423 -3.169 116 HB3 HIS 17 HB1 HIS 17 -7.619 -3.751 -4.189 117 HD1 HIS 17 HD1 HIS 17 -7.732 -5.797 -5.616 118 HD2 HIS 17 HD2 HIS 17 -10.588 -5.803 -2.599 119 HE1 HIS 17 HE1 HIS 17 -9.203 -7.781 -6.083 120 HE2 HIS 17 HE2 HIS 17 -10.771 -7.887 -4.113 121 H VAL 18 HN VAL 18 -5.066 -3.753 -1.443 122 HA VAL 18 HA VAL 18 -3.644 -5.420 -3.288 123 HB VAL 18 HB VAL 18 -3.054 -3.156 -1.523 124 HG11 VAL 18 HG11 VAL 18 -0.860 -5.124 -2.126 125 HG12 VAL 18 HG12 VAL 18 -1.545 -4.796 -0.536 126 HG13 VAL 18 HG13 VAL 18 -0.671 -3.529 -1.394 127 HG21 VAL 18 HG21 VAL 18 -1.951 -4.067 -4.167 128 HG22 VAL 18 HG22 VAL 18 -1.650 -2.503 -3.408 129 HG23 VAL 18 HG23 VAL 18 -3.280 -2.937 -3.920 130 H CYS 19 HN CYS 19 -4.428 -5.376 0.060 131 HA CYS 19 HA CYS 19 -2.748 -7.690 0.626 132 HB2 CYS 19 HB2 CYS 19 -4.515 -6.053 2.456 133 HB3 CYS 19 HB1 CYS 19 -3.475 -7.374 2.972 Start of MODEL 7 1 H1 ILE 1 HT1 ILE 1 2.501 1.110 -7.499 2 H2 ILE 1 HT2 ILE 1 2.014 2.130 -6.243 3 H3 ILE 1 HT3 ILE 1 0.856 1.335 -7.184 4 HA ILE 1 HA ILE 1 1.151 0.333 -4.993 5 HB ILE 1 HB ILE 1 1.472 -2.008 -5.774 6 HG12 ILE 1 HG12 ILE 1 1.517 -2.120 -8.416 7 HG13 ILE 1 HG11 ILE 1 2.388 -0.602 -8.254 8 HG21 ILE 1 HG21 ILE 1 -0.704 -0.973 -5.886 9 HG22 ILE 1 HG22 ILE 1 -0.468 -2.023 -7.283 10 HG23 ILE 1 HG23 ILE 1 -0.322 -0.277 -7.460 11 HD11 ILE 1 HD11 ILE 1 3.191 -3.228 -7.024 12 HD12 ILE 1 HD12 ILE 1 4.074 -1.707 -6.888 13 HD13 ILE 1 HD13 ILE 1 3.902 -2.492 -8.458 14 H ARG 2 HN ARG 2 2.511 -1.251 -3.789 15 HA ARG 2 HA ARG 2 5.375 -0.839 -4.212 16 HB2 ARG 2 HB2 ARG 2 3.899 -0.541 -1.591 17 HB3 ARG 2 HB1 ARG 2 5.646 -0.604 -1.737 18 HG2 ARG 2 HG2 ARG 2 3.887 1.489 -2.989 19 HG3 ARG 2 HG1 ARG 2 4.778 1.678 -1.478 20 HD2 ARG 2 HD2 ARG 2 6.879 1.292 -2.690 21 HD3 ARG 2 HD1 ARG 2 5.972 1.152 -4.196 22 HE ARG 2 HE ARG 2 5.208 3.562 -3.326 23 HH11 ARG 2 HH11 ARG 2 8.364 2.091 -3.640 24 HH12 ARG 2 HH12 ARG 2 9.182 3.594 -3.915 25 HH21 ARG 2 HH21 ARG 2 6.287 5.553 -3.683 26 HH22 ARG 2 HH22 ARG 2 8.002 5.564 -3.931 27 H ASP 3 HN ASP 3 6.711 -2.467 -3.202 28 HA ASP 3 HA ASP 3 5.422 -5.048 -3.113 29 HB2 ASP 3 HB2 ASP 3 7.534 -4.834 -4.335 30 HB3 ASP 3 HB1 ASP 3 8.331 -4.270 -2.873 31 H GLU 4 HN GLU 4 6.054 -2.672 -1.123 32 HA GLU 4 HA GLU 4 5.997 -4.319 1.314 33 HB2 GLU 4 HB2 GLU 4 6.884 -1.470 0.854 34 HB3 GLU 4 HB1 GLU 4 6.743 -2.223 2.425 35 HG2 GLU 4 HG2 GLU 4 8.524 -3.701 2.001 36 HG3 GLU 4 HG1 GLU 4 8.490 -3.352 0.273 37 H CYS 5 HN CYS 5 3.936 -3.214 -0.660 38 HA CYS 5 HA CYS 5 2.607 -0.994 0.351 39 HB2 CYS 5 HB2 CYS 5 2.380 -2.050 -1.942 40 HB3 CYS 5 HB1 CYS 5 1.268 -3.195 -1.202 41 H CYS 6 HN CYS 6 2.233 -4.380 1.183 42 HA CYS 6 HA CYS 6 -0.294 -4.122 2.450 43 HB2 CYS 6 HB2 CYS 6 0.566 -6.301 1.697 44 HB3 CYS 6 HB1 CYS 6 1.860 -6.202 2.886 45 H SER 7 HN SER 7 3.015 -3.735 3.511 46 HA SER 7 HA SER 7 2.323 -3.344 6.272 47 HB2 SER 7 HB2 SER 7 4.867 -2.381 5.063 48 HB3 SER 7 HB1 SER 7 4.594 -3.180 6.609 49 HG SER 7 HG SER 7 5.655 -4.480 4.927 50 H ASN 8 HN ASN 8 2.732 -1.426 3.384 51 HA ASN 8 HA ASN 8 3.436 0.931 4.821 52 HB2 ASN 8 HB2 ASN 8 3.203 0.114 1.968 53 HB3 ASN 8 HB1 ASN 8 3.250 1.811 2.364 54 HD21 ASN 8 HD21 ASN 8 5.239 2.087 1.319 55 HD22 ASN 8 HD22 ASN 8 6.714 1.495 2.004 56 HA PRO 9 HA PRO 9 -0.962 1.916 5.323 57 HB2 PRO 9 HB2 PRO 9 -0.502 4.305 6.563 58 HB3 PRO 9 HB1 PRO 9 -0.362 2.753 7.358 59 HG2 PRO 9 HG2 PRO 9 1.816 4.374 6.169 60 HG3 PRO 9 HG1 PRO 9 1.708 3.653 7.792 61 HD2 PRO 9 HD2 PRO 9 3.035 2.405 5.914 62 HD3 PRO 9 HD1 PRO 9 1.978 1.476 6.977 63 H ALA 10 HN ALA 10 1.459 4.199 4.320 64 HA ALA 10 HA ALA 10 -0.176 6.012 2.946 65 HB1 ALA 10 HB1 ALA 10 2.727 5.372 2.453 66 HB2 ALA 10 HB2 ALA 10 2.106 6.523 3.636 67 HB3 ALA 10 HB3 ALA 10 1.877 6.820 1.914 68 H CYS 11 HN CYS 11 0.725 2.799 2.012 69 HA CYS 11 HA CYS 11 0.535 3.464 -0.845 70 HB2 CYS 11 HB2 CYS 11 2.421 1.975 -0.204 71 HB3 CYS 11 HB1 CYS 11 1.273 0.853 0.529 72 H ARG 12 HN ARG 12 -0.483 1.372 1.678 73 HA ARG 12 HA ARG 12 -2.689 0.196 0.786 74 HB2 ARG 12 HB2 ARG 12 -1.616 1.129 3.331 75 HB3 ARG 12 HB1 ARG 12 -3.317 0.753 3.330 76 HG2 ARG 12 HG2 ARG 12 -2.968 -1.474 3.010 77 HG3 ARG 12 HG1 ARG 12 -1.477 -1.211 2.109 78 HD2 ARG 12 HD2 ARG 12 -1.130 -2.239 4.343 79 HD3 ARG 12 HD1 ARG 12 -0.273 -0.712 4.105 80 HE ARG 12 HE ARG 12 -2.574 0.065 5.283 81 HH11 ARG 12 HH11 ARG 12 -0.262 -2.430 6.119 82 HH12 ARG 12 HH12 ARG 12 -0.498 -2.241 7.830 83 HH21 ARG 12 HH21 ARG 12 -2.891 0.302 7.516 84 HH22 ARG 12 HH22 ARG 12 -2.001 -0.696 8.625 85 H TYR 13 HN TYR 13 -2.355 3.511 1.814 86 HA TYR 13 HA TYR 13 -4.908 4.357 2.206 87 HB2 TYR 13 HB2 TYR 13 -2.745 5.651 2.397 88 HB3 TYR 13 HB1 TYR 13 -2.856 5.908 0.664 89 HD1 TYR 13 HD1 TYR 13 -4.549 6.542 3.844 90 HD2 TYR 13 HD2 TYR 13 -4.193 7.576 -0.238 91 HE1 TYR 13 HE1 TYR 13 -5.972 8.485 4.229 92 HE2 TYR 13 HE2 TYR 13 -5.628 9.545 0.127 93 HH TYR 13 HH TYR 13 -7.319 10.325 1.689 94 H ASN 14 HN ASN 14 -3.356 3.598 -0.868 95 HA ASN 14 HA ASN 14 -5.833 4.451 -2.249 96 HB2 ASN 14 HB2 ASN 14 -3.009 4.287 -3.339 97 HB3 ASN 14 HB1 ASN 14 -4.437 4.661 -4.296 98 HD21 ASN 14 HD21 ASN 14 -2.151 5.830 -1.984 99 HD22 ASN 14 HD22 ASN 14 -2.647 7.486 -2.024 100 H ASN 15 HN ASN 15 -4.433 1.913 -0.985 101 HA ASN 15 HA ASN 15 -4.982 0.060 -3.178 102 HB2 ASN 15 HB2 ASN 15 -2.426 0.522 -1.724 103 HB3 ASN 15 HB1 ASN 15 -2.736 -1.022 -2.525 104 HD21 ASN 15 HD21 ASN 15 -1.762 2.224 -2.878 105 HD22 ASN 15 HD22 ASN 15 -1.532 2.215 -4.593 106 HA HYP 16 HA HYP 16 -6.083 -1.529 1.056 107 HB2 HYP 16 HB1 HYP 16 -7.849 -0.230 1.569 108 HB3 HYP 16 HB2 HYP 16 -8.851 -1.191 0.476 109 HG HYP 16 HG HYP 16 -9.021 0.823 -0.650 110 HD22 HYP 16 HD22 HYP 16 -7.820 -0.510 -2.208 111 HD23 HYP 16 HD23 HYP 16 -6.786 0.925 -2.102 112 HD1 HYP 16 HD1 HYP 16 -6.370 1.618 -0.161 113 H HIS 17 HN HIS 17 -6.846 -2.358 -2.061 114 HA HIS 17 HA HIS 17 -7.764 -5.044 -1.264 115 HB2 HIS 17 HB2 HIS 17 -8.112 -3.475 -3.800 116 HB3 HIS 17 HB1 HIS 17 -8.199 -5.231 -3.833 117 HD1 HIS 17 HD1 HIS 17 -10.389 -6.254 -3.246 118 HD2 HIS 17 HD2 HIS 17 -10.136 -2.274 -2.068 119 HE1 HIS 17 HE1 HIS 17 -12.693 -5.638 -2.441 120 HE2 HIS 17 HE2 HIS 17 -12.498 -3.251 -1.659 121 H VAL 18 HN VAL 18 -4.987 -3.612 -1.613 122 HA VAL 18 HA VAL 18 -3.664 -5.264 -3.525 123 HB VAL 18 HB VAL 18 -2.947 -3.043 -1.727 124 HG11 VAL 18 HG11 VAL 18 -0.564 -3.381 -1.949 125 HG12 VAL 18 HG12 VAL 18 -0.839 -4.935 -2.734 126 HG13 VAL 18 HG13 VAL 18 -1.303 -4.701 -1.050 127 HG21 VAL 18 HG21 VAL 18 -2.226 -3.788 -4.548 128 HG22 VAL 18 HG22 VAL 18 -1.773 -2.282 -3.748 129 HG23 VAL 18 HG23 VAL 18 -3.473 -2.649 -4.040 130 H CYS 19 HN CYS 19 -4.102 -5.198 -0.102 131 HA CYS 19 HA CYS 19 -2.847 -7.845 0.098 132 HB2 CYS 19 HB2 CYS 19 -1.394 -6.064 1.095 133 HB3 CYS 19 HB1 CYS 19 -2.699 -5.684 2.214 Start of MODEL 8 1 H1 ILE 1 HT1 ILE 1 6.193 4.599 -4.868 2 H2 ILE 1 HT2 ILE 1 7.627 3.996 -4.206 3 H3 ILE 1 HT3 ILE 1 6.362 4.465 -3.192 4 HA ILE 1 HA ILE 1 4.972 2.713 -4.028 5 HB ILE 1 HB ILE 1 5.987 0.946 -5.462 6 HG12 ILE 1 HG12 ILE 1 7.954 1.925 -6.926 7 HG13 ILE 1 HG11 ILE 1 8.275 2.885 -5.489 8 HG21 ILE 1 HG21 ILE 1 5.851 3.695 -6.685 9 HG22 ILE 1 HG22 ILE 1 4.494 2.604 -6.407 10 HG23 ILE 1 HG23 ILE 1 5.749 2.173 -7.568 11 HD11 ILE 1 HD11 ILE 1 8.502 0.822 -4.185 12 HD12 ILE 1 HD12 ILE 1 9.654 0.908 -5.515 13 HD13 ILE 1 HD13 ILE 1 8.228 -0.119 -5.652 14 H ARG 2 HN ARG 2 5.292 0.344 -3.362 15 HA ARG 2 HA ARG 2 7.589 -0.144 -1.672 16 HB2 ARG 2 HB2 ARG 2 5.675 1.117 -0.366 17 HB3 ARG 2 HB1 ARG 2 4.907 -0.460 -0.373 18 HG2 ARG 2 HG2 ARG 2 6.086 -0.189 1.681 19 HG3 ARG 2 HG1 ARG 2 6.935 -1.389 0.708 20 HD2 ARG 2 HD2 ARG 2 8.447 0.233 1.824 21 HD3 ARG 2 HD1 ARG 2 8.597 0.223 0.068 22 HE ARG 2 HE ARG 2 6.738 2.196 0.858 23 HH11 ARG 2 HH11 ARG 2 10.179 1.547 0.885 24 HH12 ARG 2 HH12 ARG 2 10.621 3.223 0.828 25 HH21 ARG 2 HH21 ARG 2 7.308 4.389 0.783 26 HH22 ARG 2 HH22 ARG 2 8.983 4.846 0.764 27 H ASP 3 HN ASP 3 8.070 -2.273 -1.623 28 HA ASP 3 HA ASP 3 6.328 -4.137 -2.971 29 HB2 ASP 3 HB2 ASP 3 8.763 -4.267 -3.344 30 HB3 ASP 3 HB1 ASP 3 8.995 -4.602 -1.632 31 H GLU 4 HN GLU 4 7.124 -3.131 0.066 32 HA GLU 4 HA GLU 4 5.655 -5.216 1.466 33 HB2 GLU 4 HB2 GLU 4 7.299 -2.876 2.392 34 HB3 GLU 4 HB1 GLU 4 6.277 -3.802 3.474 35 HG2 GLU 4 HG2 GLU 4 8.511 -4.948 1.819 36 HG3 GLU 4 HG1 GLU 4 8.634 -4.516 3.524 37 H CYS 5 HN CYS 5 4.293 -3.635 -0.358 38 HA CYS 5 HA CYS 5 3.237 -1.229 0.357 39 HB2 CYS 5 HB2 CYS 5 2.907 -3.128 -1.664 40 HB3 CYS 5 HB1 CYS 5 1.299 -2.830 -1.037 41 H CYS 6 HN CYS 6 2.117 -4.417 1.396 42 HA CYS 6 HA CYS 6 -0.391 -3.492 2.471 43 HB2 CYS 6 HB2 CYS 6 0.017 -5.833 1.724 44 HB3 CYS 6 HB1 CYS 6 1.162 -6.041 3.039 45 H SER 7 HN SER 7 2.869 -3.834 3.656 46 HA SER 7 HA SER 7 2.281 -3.323 6.408 47 HB2 SER 7 HB2 SER 7 4.483 -4.217 5.281 48 HB3 SER 7 HB1 SER 7 4.816 -2.489 5.054 49 HG SER 7 HG SER 7 4.844 -4.017 7.363 50 H ASN 8 HN ASN 8 2.687 -1.471 3.519 51 HA ASN 8 HA ASN 8 3.536 0.883 4.938 52 HB2 ASN 8 HB2 ASN 8 4.603 0.201 2.826 53 HB3 ASN 8 HB1 ASN 8 3.074 0.452 1.989 54 HD21 ASN 8 HD21 ASN 8 5.707 2.011 3.676 55 HD22 ASN 8 HD22 ASN 8 5.421 3.600 3.045 56 HA PRO 9 HA PRO 9 -0.702 2.299 5.420 57 HB2 PRO 9 HB2 PRO 9 -0.013 4.786 6.317 58 HB3 PRO 9 HB1 PRO 9 0.055 3.338 7.295 59 HG2 PRO 9 HG2 PRO 9 2.275 4.623 5.818 60 HG3 PRO 9 HG1 PRO 9 2.204 4.116 7.521 61 HD2 PRO 9 HD2 PRO 9 3.337 2.551 5.761 62 HD3 PRO 9 HD1 PRO 9 2.265 1.843 6.969 63 H ALA 10 HN ALA 10 1.749 4.366 4.022 64 HA ALA 10 HA ALA 10 0.087 6.098 2.595 65 HB1 ALA 10 HB1 ALA 10 2.060 6.707 1.317 66 HB2 ALA 10 HB2 ALA 10 2.898 5.269 1.900 67 HB3 ALA 10 HB3 ALA 10 2.448 6.546 3.029 68 H CYS 11 HN CYS 11 0.821 2.783 1.905 69 HA CYS 11 HA CYS 11 0.291 3.134 -0.959 70 HB2 CYS 11 HB2 CYS 11 2.132 1.639 -0.652 71 HB3 CYS 11 HB1 CYS 11 1.332 0.813 0.681 72 H ARG 12 HN ARG 12 -0.492 1.310 1.856 73 HA ARG 12 HA ARG 12 -2.780 0.120 1.500 74 HB2 ARG 12 HB2 ARG 12 -1.506 1.583 3.640 75 HB3 ARG 12 HB1 ARG 12 -3.234 1.492 3.804 76 HG2 ARG 12 HG2 ARG 12 -1.899 -0.292 4.980 77 HG3 ARG 12 HG1 ARG 12 -3.200 -0.851 3.949 78 HD2 ARG 12 HD2 ARG 12 -0.474 -0.626 2.821 79 HD3 ARG 12 HD1 ARG 12 -0.898 -2.002 3.847 80 HE ARG 12 HE ARG 12 -1.808 -1.494 1.173 81 HH11 ARG 12 HH11 ARG 12 -2.508 -3.145 4.187 82 HH12 ARG 12 HH12 ARG 12 -3.607 -4.274 3.455 83 HH21 ARG 12 HH21 ARG 12 -3.298 -2.968 0.230 84 HH22 ARG 12 HH22 ARG 12 -4.057 -4.172 1.241 85 H TYR 13 HN TYR 13 -2.502 3.571 2.097 86 HA TYR 13 HA TYR 13 -5.110 4.315 2.342 87 HB2 TYR 13 HB2 TYR 13 -3.036 5.699 2.676 88 HB3 TYR 13 HB1 TYR 13 -3.009 5.929 0.936 89 HD1 TYR 13 HD1 TYR 13 -5.243 6.355 3.835 90 HD2 TYR 13 HD2 TYR 13 -4.067 7.727 0.016 91 HE1 TYR 13 HE1 TYR 13 -6.763 8.249 4.067 92 HE2 TYR 13 HE2 TYR 13 -5.592 9.651 0.230 93 HH TYR 13 HH TYR 13 -7.006 10.554 3.159 94 H ASN 14 HN ASN 14 -3.395 3.567 -0.654 95 HA ASN 14 HA ASN 14 -5.773 4.506 -2.138 96 HB2 ASN 14 HB2 ASN 14 -2.902 4.326 -3.088 97 HB3 ASN 14 HB1 ASN 14 -4.273 4.784 -4.092 98 HD21 ASN 14 HD21 ASN 14 -2.064 5.779 -1.635 99 HD22 ASN 14 HD22 ASN 14 -2.521 7.445 -1.607 100 H ASN 15 HN ASN 15 -4.497 1.854 -0.914 101 HA ASN 15 HA ASN 15 -5.091 0.133 -3.185 102 HB2 ASN 15 HB2 ASN 15 -2.469 0.655 -1.960 103 HB3 ASN 15 HB1 ASN 15 -2.786 -0.988 -2.518 104 HD21 ASN 15 HD21 ASN 15 -0.815 0.848 -3.505 105 HD22 ASN 15 HD22 ASN 15 -1.171 1.128 -5.175 106 HA HYP 16 HA HYP 16 -6.065 -1.809 0.901 107 HB2 HYP 16 HB1 HYP 16 -7.832 -0.601 1.575 108 HB3 HYP 16 HB2 HYP 16 -8.842 -1.431 0.389 109 HG HYP 16 HG HYP 16 -9.016 0.708 -0.486 110 HD22 HYP 16 HD22 HYP 16 -7.872 -0.486 -2.203 111 HD23 HYP 16 HD23 HYP 16 -6.828 0.931 -1.985 112 HD1 HYP 16 HD1 HYP 16 -6.314 1.369 0.083 113 H HIS 17 HN HIS 17 -7.014 -2.394 -2.274 114 HA HIS 17 HA HIS 17 -7.760 -5.146 -1.558 115 HB2 HIS 17 HB2 HIS 17 -8.777 -5.454 -3.697 116 HB3 HIS 17 HB1 HIS 17 -9.364 -3.933 -3.053 117 HD1 HIS 17 HD1 HIS 17 -7.096 -5.323 -5.718 118 HD2 HIS 17 HD2 HIS 17 -8.882 -1.725 -4.636 119 HE1 HIS 17 HE1 HIS 17 -6.741 -3.777 -7.670 120 HE2 HIS 17 HE2 HIS 17 -7.748 -1.577 -6.958 121 H VAL 18 HN VAL 18 -5.130 -3.584 -1.941 122 HA VAL 18 HA VAL 18 -3.617 -5.284 -3.681 123 HB VAL 18 HB VAL 18 -3.164 -2.928 -1.996 124 HG11 VAL 18 HG11 VAL 18 -0.925 -4.913 -2.305 125 HG12 VAL 18 HG12 VAL 18 -1.663 -4.379 -0.798 126 HG13 VAL 18 HG13 VAL 18 -0.739 -3.243 -1.776 127 HG21 VAL 18 HG21 VAL 18 -1.746 -3.882 -4.466 128 HG22 VAL 18 HG22 VAL 18 -1.764 -2.241 -3.806 129 HG23 VAL 18 HG23 VAL 18 -3.242 -2.950 -4.456 130 H CYS 19 HN CYS 19 -4.705 -5.236 -0.490 131 HA CYS 19 HA CYS 19 -3.890 -7.823 0.218 132 HB2 CYS 19 HB2 CYS 19 -1.652 -6.949 0.402 133 HB3 CYS 19 HB1 CYS 19 -2.215 -5.549 1.306 Start of MODEL 9 1 H1 ILE 1 HT1 ILE 1 4.598 5.153 -5.889 2 H2 ILE 1 HT2 ILE 1 4.068 5.761 -4.404 3 H3 ILE 1 HT3 ILE 1 2.949 5.412 -5.619 4 HA ILE 1 HA ILE 1 2.936 3.720 -3.908 5 HB ILE 1 HB ILE 1 2.405 3.080 -6.226 6 HG12 ILE 1 HG12 ILE 1 3.999 0.967 -4.766 7 HG13 ILE 1 HG11 ILE 1 2.320 1.383 -4.444 8 HG21 ILE 1 HG21 ILE 1 4.419 3.647 -7.369 9 HG22 ILE 1 HG22 ILE 1 4.142 1.918 -7.582 10 HG23 ILE 1 HG23 ILE 1 5.345 2.483 -6.424 11 HD11 ILE 1 HD11 ILE 1 2.497 -0.649 -5.758 12 HD12 ILE 1 HD12 ILE 1 3.388 0.222 -7.007 13 HD13 ILE 1 HD13 ILE 1 1.704 0.629 -6.677 14 H ARG 2 HN ARG 2 4.060 1.985 -2.862 15 HA ARG 2 HA ARG 2 6.969 2.317 -2.822 16 HB2 ARG 2 HB2 ARG 2 5.099 1.954 -0.482 17 HB3 ARG 2 HB1 ARG 2 6.842 1.788 -0.365 18 HG2 ARG 2 HG2 ARG 2 7.064 4.132 -1.163 19 HG3 ARG 2 HG1 ARG 2 5.308 4.270 -1.088 20 HD2 ARG 2 HD2 ARG 2 5.424 3.662 1.319 21 HD3 ARG 2 HD1 ARG 2 7.182 3.699 1.204 22 HE ARG 2 HE ARG 2 6.136 6.131 0.259 23 HH11 ARG 2 HH11 ARG 2 6.576 4.360 3.250 24 HH12 ARG 2 HH12 ARG 2 6.602 5.787 4.236 25 HH21 ARG 2 HH21 ARG 2 6.163 8.004 1.559 26 HH22 ARG 2 HH22 ARG 2 6.358 7.855 3.274 27 H ASP 3 HN ASP 3 8.175 0.433 -2.222 28 HA ASP 3 HA ASP 3 6.964 -1.958 -3.242 29 HB2 ASP 3 HB2 ASP 3 9.767 -1.271 -2.384 30 HB3 ASP 3 HB1 ASP 3 9.305 -2.879 -2.902 31 H GLU 4 HN GLU 4 6.854 -0.549 -0.510 32 HA GLU 4 HA GLU 4 6.735 -2.967 1.141 33 HB2 GLU 4 HB2 GLU 4 7.303 -0.094 1.721 34 HB3 GLU 4 HB1 GLU 4 6.588 -1.087 2.967 35 HG2 GLU 4 HG2 GLU 4 9.167 -1.715 1.562 36 HG3 GLU 4 HG1 GLU 4 9.049 -0.894 3.119 37 H CYS 5 HN CYS 5 4.804 -2.049 -0.823 38 HA CYS 5 HA CYS 5 2.941 -0.219 0.038 39 HB2 CYS 5 HB2 CYS 5 3.289 -1.379 -2.270 40 HB3 CYS 5 HB1 CYS 5 2.100 -2.531 -1.669 41 H CYS 6 HN CYS 6 2.929 -3.716 0.590 42 HA CYS 6 HA CYS 6 0.238 -3.798 1.523 43 HB2 CYS 6 HB2 CYS 6 1.458 -5.757 0.565 44 HB3 CYS 6 HB1 CYS 6 2.443 -5.803 2.021 45 H SER 7 HN SER 7 3.376 -3.454 3.032 46 HA SER 7 HA SER 7 2.342 -3.488 5.713 47 HB2 SER 7 HB2 SER 7 4.975 -2.904 4.441 48 HB3 SER 7 HB1 SER 7 4.683 -2.383 6.099 49 HG SER 7 HG SER 7 3.932 -4.988 5.578 50 H ASN 8 HN ASN 8 2.964 -1.090 3.251 51 HA ASN 8 HA ASN 8 3.391 0.947 5.247 52 HB2 ASN 8 HB2 ASN 8 4.702 0.703 3.071 53 HB3 ASN 8 HB1 ASN 8 3.278 1.352 2.262 54 HD21 ASN 8 HD21 ASN 8 2.868 3.513 2.363 55 HD22 ASN 8 HD22 ASN 8 3.904 4.652 3.145 56 HA PRO 9 HA PRO 9 -0.994 1.835 5.524 57 HB2 PRO 9 HB2 PRO 9 0.237 4.280 6.712 58 HB3 PRO 9 HB1 PRO 9 -1.095 3.301 7.332 59 HG2 PRO 9 HG2 PRO 9 1.260 3.088 8.398 60 HG3 PRO 9 HG1 PRO 9 0.388 1.594 7.989 61 HD2 PRO 9 HD2 PRO 9 2.607 2.959 6.507 62 HD3 PRO 9 HD1 PRO 9 2.374 1.251 6.861 63 H ALA 10 HN ALA 10 1.358 4.208 4.371 64 HA ALA 10 HA ALA 10 -0.597 5.925 3.197 65 HB1 ALA 10 HB1 ALA 10 1.291 7.121 2.257 66 HB2 ALA 10 HB2 ALA 10 2.369 5.792 2.683 67 HB3 ALA 10 HB3 ALA 10 1.591 6.738 3.952 68 H CYS 11 HN CYS 11 0.656 2.920 2.199 69 HA CYS 11 HA CYS 11 0.513 3.606 -0.657 70 HB2 CYS 11 HB2 CYS 11 2.474 2.213 0.370 71 HB3 CYS 11 HB1 CYS 11 1.284 0.910 0.424 72 H ARG 12 HN ARG 12 -0.478 1.603 1.885 73 HA ARG 12 HA ARG 12 -2.596 0.283 0.877 74 HB2 ARG 12 HB2 ARG 12 -1.712 1.276 3.497 75 HB3 ARG 12 HB1 ARG 12 -3.349 0.691 3.374 76 HG2 ARG 12 HG2 ARG 12 -2.711 -1.457 3.109 77 HG3 ARG 12 HG1 ARG 12 -1.303 -1.017 2.151 78 HD2 ARG 12 HD2 ARG 12 -0.588 -2.001 4.222 79 HD3 ARG 12 HD1 ARG 12 -0.164 -0.287 4.201 80 HE ARG 12 HE ARG 12 -2.403 -0.120 5.531 81 HH11 ARG 12 HH11 ARG 12 -0.042 -2.699 5.778 82 HH12 ARG 12 HH12 ARG 12 -0.379 -3.018 7.449 83 HH21 ARG 12 HH21 ARG 12 -2.864 -0.553 7.723 84 HH22 ARG 12 HH22 ARG 12 -1.990 -1.803 8.553 85 H TYR 13 HN TYR 13 -2.367 3.680 1.533 86 HA TYR 13 HA TYR 13 -5.072 4.335 1.674 87 HB2 TYR 13 HB2 TYR 13 -3.316 5.933 2.195 88 HB3 TYR 13 HB1 TYR 13 -2.754 5.879 0.532 89 HD1 TYR 13 HD1 TYR 13 -5.905 6.532 2.364 90 HD2 TYR 13 HD2 TYR 13 -3.336 7.552 -0.824 91 HE1 TYR 13 HE1 TYR 13 -7.409 8.381 1.765 92 HE2 TYR 13 HE2 TYR 13 -4.811 9.402 -1.443 93 HH TYR 13 HH TYR 13 -7.237 10.000 -1.170 94 H ASN 14 HN ASN 14 -3.031 3.424 -0.996 95 HA ASN 14 HA ASN 14 -5.273 3.879 -2.869 96 HB2 ASN 14 HB2 ASN 14 -3.074 5.052 -3.362 97 HB3 ASN 14 HB1 ASN 14 -2.352 3.460 -3.563 98 HD21 ASN 14 HD21 ASN 14 -1.864 3.637 -5.691 99 HD22 ASN 14 HD22 ASN 14 -3.052 3.757 -6.943 100 H ASN 15 HN ASN 15 -4.324 1.728 -0.890 101 HA ASN 15 HA ASN 15 -4.625 -0.591 -2.617 102 HB2 ASN 15 HB2 ASN 15 -2.373 -0.677 -2.728 103 HB3 ASN 15 HB1 ASN 15 -2.200 0.400 -1.368 104 HD21 ASN 15 HD21 ASN 15 -0.640 -0.550 -0.308 105 HD22 ASN 15 HD22 ASN 15 -0.713 -2.152 0.355 106 HA HYP 16 HA HYP 16 -6.751 -1.446 1.333 107 HB2 HYP 16 HB1 HYP 16 -8.345 0.161 1.314 108 HB3 HYP 16 HB2 HYP 16 -9.237 -0.798 0.126 109 HG HYP 16 HG HYP 16 -8.868 1.069 -1.208 110 HD22 HYP 16 HD22 HYP 16 -7.578 -0.644 -2.280 111 HD23 HYP 16 HD23 HYP 16 -6.411 0.687 -2.150 112 HD1 HYP 16 HD1 HYP 16 -6.280 1.581 -0.226 113 H HIS 17 HN HIS 17 -6.793 -2.381 -1.819 114 HA HIS 17 HA HIS 17 -7.527 -5.091 -1.133 115 HB2 HIS 17 HB2 HIS 17 -9.682 -3.959 -1.860 116 HB3 HIS 17 HB1 HIS 17 -8.952 -3.756 -3.449 117 HD1 HIS 17 HD1 HIS 17 -9.913 -6.550 -1.062 118 HD2 HIS 17 HD2 HIS 17 -9.301 -5.888 -5.119 119 HE1 HIS 17 HE1 HIS 17 -10.583 -8.685 -2.204 120 HE2 HIS 17 HE2 HIS 17 -10.376 -8.196 -4.664 121 H VAL 18 HN VAL 18 -5.102 -3.833 -1.766 122 HA VAL 18 HA VAL 18 -4.528 -4.755 -4.473 123 HB VAL 18 HB VAL 18 -3.607 -2.501 -2.861 124 HG11 VAL 18 HG11 VAL 18 -1.591 -3.997 -2.869 125 HG12 VAL 18 HG12 VAL 18 -1.370 -2.381 -3.541 126 HG13 VAL 18 HG13 VAL 18 -1.536 -3.775 -4.621 127 HG21 VAL 18 HG21 VAL 18 -3.260 -1.498 -5.054 128 HG22 VAL 18 HG22 VAL 18 -4.850 -2.242 -4.924 129 HG23 VAL 18 HG23 VAL 18 -3.570 -3.056 -5.818 130 H CYS 19 HN CYS 19 -3.824 -5.176 -1.143 131 HA CYS 19 HA CYS 19 -1.950 -7.343 -1.814 132 HB2 CYS 19 HB2 CYS 19 -0.932 -5.600 -0.410 133 HB3 CYS 19 HB1 CYS 19 -2.210 -5.807 0.783 Start of MODEL 10 1 H1 ILE 1 HT1 ILE 1 6.797 3.477 -6.361 2 H2 ILE 1 HT2 ILE 1 6.198 4.500 -5.160 3 H3 ILE 1 HT3 ILE 1 5.321 4.270 -6.586 4 HA ILE 1 HA ILE 1 4.353 3.044 -4.760 5 HB ILE 1 HB ILE 1 4.266 0.829 -5.798 6 HG12 ILE 1 HG12 ILE 1 6.467 1.821 -7.623 7 HG13 ILE 1 HG11 ILE 1 6.694 0.655 -6.323 8 HG21 ILE 1 HG21 ILE 1 3.476 1.511 -8.004 9 HG22 ILE 1 HG22 ILE 1 4.305 3.057 -7.830 10 HG23 ILE 1 HG23 ILE 1 2.961 2.654 -6.763 11 HD11 ILE 1 HD11 ILE 1 4.920 0.274 -8.722 12 HD12 ILE 1 HD12 ILE 1 5.202 -0.900 -7.437 13 HD13 ILE 1 HD13 ILE 1 6.524 -0.424 -8.502 14 H ARG 2 HN ARG 2 4.662 0.758 -3.688 15 HA ARG 2 HA ARG 2 7.363 0.627 -2.549 16 HB2 ARG 2 HB2 ARG 2 4.780 0.327 -1.004 17 HB3 ARG 2 HB1 ARG 2 6.402 0.205 -0.341 18 HG2 ARG 2 HG2 ARG 2 5.214 2.687 -1.562 19 HG3 ARG 2 HG1 ARG 2 5.327 2.349 0.167 20 HD2 ARG 2 HD2 ARG 2 7.741 2.306 0.034 21 HD3 ARG 2 HD1 ARG 2 7.674 2.521 -1.715 22 HE ARG 2 HE ARG 2 6.316 4.637 -0.437 23 HH11 ARG 2 HH11 ARG 2 9.539 3.406 -0.977 24 HH12 ARG 2 HH12 ARG 2 10.287 4.971 -0.931 25 HH21 ARG 2 HH21 ARG 2 7.293 6.710 -0.377 26 HH22 ARG 2 HH22 ARG 2 9.008 6.849 -0.585 27 H ASP 3 HN ASP 3 8.048 -1.422 -1.863 28 HA ASP 3 HA ASP 3 6.542 -3.659 -2.952 29 HB2 ASP 3 HB2 ASP 3 8.912 -3.598 -3.542 30 HB3 ASP 3 HB1 ASP 3 9.349 -3.515 -1.841 31 H GLU 4 HN GLU 4 6.844 -1.986 -0.297 32 HA GLU 4 HA GLU 4 6.273 -4.155 1.598 33 HB2 GLU 4 HB2 GLU 4 7.262 -1.337 1.917 34 HB3 GLU 4 HB1 GLU 4 6.579 -2.228 3.261 35 HG2 GLU 4 HG2 GLU 4 8.915 -3.179 1.628 36 HG3 GLU 4 HG1 GLU 4 9.064 -2.278 3.138 37 H CYS 5 HN CYS 5 4.386 -3.098 -0.328 38 HA CYS 5 HA CYS 5 2.850 -0.992 0.541 39 HB2 CYS 5 HB2 CYS 5 2.733 -3.081 -1.490 40 HB3 CYS 5 HB1 CYS 5 1.175 -2.459 -1.006 41 H CYS 6 HN CYS 6 2.572 -4.402 1.406 42 HA CYS 6 HA CYS 6 -0.088 -4.185 2.407 43 HB2 CYS 6 HB2 CYS 6 0.949 -6.341 1.749 44 HB3 CYS 6 HB1 CYS 6 2.028 -6.221 3.133 45 H SER 7 HN SER 7 3.092 -3.686 3.764 46 HA SER 7 HA SER 7 2.076 -3.230 6.432 47 HB2 SER 7 HB2 SER 7 4.791 -2.418 5.513 48 HB3 SER 7 HB1 SER 7 4.295 -3.118 7.050 49 HG SER 7 HG SER 7 5.490 -4.560 5.591 50 H ASN 8 HN ASN 8 2.721 -1.472 3.542 51 HA ASN 8 HA ASN 8 3.560 0.917 4.894 52 HB2 ASN 8 HB2 ASN 8 4.564 0.079 2.741 53 HB3 ASN 8 HB1 ASN 8 3.052 0.506 1.946 54 HD21 ASN 8 HD21 ASN 8 2.650 2.620 1.449 55 HD22 ASN 8 HD22 ASN 8 3.793 3.891 1.690 56 HA PRO 9 HA PRO 9 -0.737 2.117 5.408 57 HB2 PRO 9 HB2 PRO 9 -0.165 4.625 6.355 58 HB3 PRO 9 HB1 PRO 9 -0.056 3.162 7.306 59 HG2 PRO 9 HG2 PRO 9 2.134 4.570 5.899 60 HG3 PRO 9 HG1 PRO 9 2.058 4.007 7.584 61 HD2 PRO 9 HD2 PRO 9 3.281 2.542 5.801 62 HD3 PRO 9 HD1 PRO 9 2.215 1.754 6.965 63 H ALA 10 HN ALA 10 1.615 4.326 4.063 64 HA ALA 10 HA ALA 10 -0.180 5.981 2.675 65 HB1 ALA 10 HB1 ALA 10 2.711 5.466 2.021 66 HB2 ALA 10 HB2 ALA 10 2.124 6.616 3.222 67 HB3 ALA 10 HB3 ALA 10 1.749 6.855 1.516 68 H CYS 11 HN CYS 11 0.665 2.740 1.917 69 HA CYS 11 HA CYS 11 0.384 3.232 -0.971 70 HB2 CYS 11 HB2 CYS 11 2.249 1.719 -0.466 71 HB3 CYS 11 HB1 CYS 11 1.198 0.723 0.543 72 H ARG 12 HN ARG 12 -0.526 1.242 1.673 73 HA ARG 12 HA ARG 12 -2.793 0.079 0.952 74 HB2 ARG 12 HB2 ARG 12 -1.612 1.137 3.402 75 HB3 ARG 12 HB1 ARG 12 -3.307 0.745 3.484 76 HG2 ARG 12 HG2 ARG 12 -2.947 -1.490 3.253 77 HG3 ARG 12 HG1 ARG 12 -1.497 -1.254 2.280 78 HD2 ARG 12 HD2 ARG 12 -1.022 -2.178 4.518 79 HD3 ARG 12 HD1 ARG 12 -0.231 -0.628 4.213 80 HE ARG 12 HE ARG 12 -2.462 0.149 5.464 81 HH11 ARG 12 HH11 ARG 12 -0.233 -2.440 6.231 82 HH12 ARG 12 HH12 ARG 12 -0.432 -2.272 7.946 83 HH21 ARG 12 HH21 ARG 12 -2.742 0.360 7.713 84 HH22 ARG 12 HH22 ARG 12 -1.876 -0.691 8.791 85 H TYR 13 HN TYR 13 -2.419 3.399 1.985 86 HA TYR 13 HA TYR 13 -4.979 4.242 2.375 87 HB2 TYR 13 HB2 TYR 13 -2.772 5.476 2.647 88 HB3 TYR 13 HB1 TYR 13 -2.905 5.860 0.942 89 HD1 TYR 13 HD1 TYR 13 -4.979 6.076 4.015 90 HD2 TYR 13 HD2 TYR 13 -3.784 7.838 0.364 91 HE1 TYR 13 HE1 TYR 13 -6.309 8.078 4.553 92 HE2 TYR 13 HE2 TYR 13 -5.096 9.829 0.874 93 HH TYR 13 HH TYR 13 -6.979 10.514 2.245 94 H ASN 14 HN ASN 14 -3.388 3.588 -0.702 95 HA ASN 14 HA ASN 14 -5.819 4.550 -2.091 96 HB2 ASN 14 HB2 ASN 14 -3.713 5.786 -2.652 97 HB3 ASN 14 HB1 ASN 14 -3.018 4.274 -3.218 98 HD21 ASN 14 HD21 ASN 14 -6.354 5.286 -3.706 99 HD22 ASN 14 HD22 ASN 14 -6.240 5.444 -5.422 100 H ASN 15 HN ASN 15 -4.441 1.917 -0.917 101 HA ASN 15 HA ASN 15 -5.068 0.165 -3.171 102 HB2 ASN 15 HB2 ASN 15 -2.472 0.629 -1.825 103 HB3 ASN 15 HB1 ASN 15 -2.797 -0.962 -2.518 104 HD21 ASN 15 HD21 ASN 15 -0.786 1.002 -3.254 105 HD22 ASN 15 HD22 ASN 15 -1.054 1.377 -4.920 106 HA HYP 16 HA HYP 16 -6.143 -1.644 0.960 107 HB2 HYP 16 HB1 HYP 16 -7.919 -0.378 1.526 108 HB3 HYP 16 HB2 HYP 16 -8.908 -1.280 0.374 109 HG HYP 16 HG HYP 16 -9.070 0.794 -0.644 110 HD22 HYP 16 HD22 HYP 16 -7.861 -0.465 -2.255 111 HD23 HYP 16 HD23 HYP 16 -6.832 0.967 -2.075 112 HD1 HYP 16 HD1 HYP 16 -6.400 1.506 -0.018 113 H HIS 17 HN HIS 17 -6.848 -2.302 -2.205 114 HA HIS 17 HA HIS 17 -7.821 -5.014 -1.603 115 HB2 HIS 17 HB2 HIS 17 -7.736 -3.485 -4.209 116 HB3 HIS 17 HB1 HIS 17 -8.135 -5.191 -4.108 117 HD1 HIS 17 HD1 HIS 17 -10.463 -5.818 -3.245 118 HD2 HIS 17 HD2 HIS 17 -9.733 -1.727 -3.281 119 HE1 HIS 17 HE1 HIS 17 -12.701 -4.729 -2.895 120 HE2 HIS 17 HE2 HIS 17 -12.259 -2.262 -3.140 121 H VAL 18 HN VAL 18 -4.999 -3.538 -1.722 122 HA VAL 18 HA VAL 18 -3.542 -5.319 -3.433 123 HB VAL 18 HB VAL 18 -2.927 -2.924 -1.798 124 HG11 VAL 18 HG11 VAL 18 -0.794 -4.797 -2.778 125 HG12 VAL 18 HG12 VAL 18 -1.219 -4.498 -1.096 126 HG13 VAL 18 HG13 VAL 18 -0.538 -3.201 -2.075 127 HG21 VAL 18 HG21 VAL 18 -1.892 -2.166 -3.870 128 HG22 VAL 18 HG22 VAL 18 -3.548 -2.706 -4.145 129 HG23 VAL 18 HG23 VAL 18 -2.195 -3.741 -4.604 130 H CYS 19 HN CYS 19 -4.009 -4.741 -0.043 131 HA CYS 19 HA CYS 19 -3.681 -7.420 0.717 132 HB2 CYS 19 HB2 CYS 19 -1.277 -6.877 0.272 133 HB3 CYS 19 HB1 CYS 19 -1.368 -5.635 1.514 Start of MODEL 11 1 H1 ILE 1 HT1 ILE 1 5.985 4.207 -6.196 2 H2 ILE 1 HT2 ILE 1 4.976 3.992 -7.533 3 H3 ILE 1 HT3 ILE 1 6.388 3.074 -7.381 4 HA ILE 1 HA ILE 1 4.038 2.937 -5.592 5 HB ILE 1 HB ILE 1 5.091 0.853 -7.514 6 HG12 ILE 1 HG12 ILE 1 2.661 2.639 -7.802 7 HG13 ILE 1 HG11 ILE 1 4.149 2.788 -8.731 8 HG21 ILE 1 HG21 ILE 1 2.553 0.978 -5.891 9 HG22 ILE 1 HG22 ILE 1 3.939 -0.066 -5.581 10 HG23 ILE 1 HG23 ILE 1 2.975 -0.293 -7.039 11 HD11 ILE 1 HD11 ILE 1 2.420 1.688 -10.020 12 HD12 ILE 1 HD12 ILE 1 2.260 0.447 -8.779 13 HD13 ILE 1 HD13 ILE 1 3.756 0.581 -9.702 14 H ARG 2 HN ARG 2 4.297 1.620 -3.788 15 HA ARG 2 HA ARG 2 7.045 0.969 -3.087 16 HB2 ARG 2 HB2 ARG 2 4.505 0.850 -1.456 17 HB3 ARG 2 HB1 ARG 2 6.079 0.377 -0.852 18 HG2 ARG 2 HG2 ARG 2 5.810 2.508 -0.015 19 HG3 ARG 2 HG1 ARG 2 6.799 2.772 -1.449 20 HD2 ARG 2 HD2 ARG 2 4.939 3.567 -2.687 21 HD3 ARG 2 HD1 ARG 2 3.801 3.029 -1.453 22 HE ARG 2 HE ARG 2 5.603 4.864 -0.314 23 HH11 ARG 2 HH11 ARG 2 2.926 4.776 -2.574 24 HH12 ARG 2 HH12 ARG 2 2.436 6.408 -2.240 25 HH21 ARG 2 HH21 ARG 2 4.957 6.998 0.118 26 HH22 ARG 2 HH22 ARG 2 3.589 7.671 -0.713 27 H ASP 3 HN ASP 3 7.669 -1.118 -2.383 28 HA ASP 3 HA ASP 3 6.005 -3.260 -3.476 29 HB2 ASP 3 HB2 ASP 3 8.283 -3.107 -4.432 30 HB3 ASP 3 HB1 ASP 3 8.954 -3.315 -2.819 31 H GLU 4 HN GLU 4 6.473 -1.760 -0.831 32 HA GLU 4 HA GLU 4 6.088 -4.083 0.922 33 HB2 GLU 4 HB2 GLU 4 7.185 -1.334 1.449 34 HB3 GLU 4 HB1 GLU 4 6.602 -2.371 2.732 35 HG2 GLU 4 HG2 GLU 4 8.793 -3.088 0.807 36 HG3 GLU 4 HG1 GLU 4 9.043 -2.479 2.444 37 H CYS 5 HN CYS 5 4.227 -2.804 -0.817 38 HA CYS 5 HA CYS 5 2.691 -0.769 0.244 39 HB2 CYS 5 HB2 CYS 5 2.689 -1.776 -2.112 40 HB3 CYS 5 HB1 CYS 5 1.536 -2.947 -1.478 41 H CYS 6 HN CYS 6 2.595 -4.175 0.947 42 HA CYS 6 HA CYS 6 -0.009 -4.211 2.103 43 HB2 CYS 6 HB2 CYS 6 1.152 -6.251 1.271 44 HB3 CYS 6 HB1 CYS 6 2.300 -6.106 2.598 45 H SER 7 HN SER 7 3.231 -3.641 3.260 46 HA SER 7 HA SER 7 2.485 -3.385 6.012 47 HB2 SER 7 HB2 SER 7 4.925 -2.833 4.391 48 HB3 SER 7 HB1 SER 7 4.791 -2.147 6.009 49 HG SER 7 HG SER 7 5.041 -4.096 6.841 50 H ASN 8 HN ASN 8 2.918 -1.258 3.253 51 HA ASN 8 HA ASN 8 3.353 1.030 4.848 52 HB2 ASN 8 HB2 ASN 8 2.972 0.527 1.904 53 HB3 ASN 8 HB1 ASN 8 3.250 2.117 2.556 54 HD21 ASN 8 HD21 ASN 8 5.093 1.228 4.609 55 HD22 ASN 8 HD22 ASN 8 6.556 0.806 3.795 56 HA PRO 9 HA PRO 9 -1.145 1.686 5.333 57 HB2 PRO 9 HB2 PRO 9 0.008 4.062 6.701 58 HB3 PRO 9 HB1 PRO 9 -1.252 2.963 7.268 59 HG2 PRO 9 HG2 PRO 9 1.144 2.833 8.276 60 HG3 PRO 9 HG1 PRO 9 0.339 1.320 7.805 61 HD2 PRO 9 HD2 PRO 9 2.425 2.895 6.324 62 HD3 PRO 9 HD1 PRO 9 2.335 1.162 6.633 63 H ALA 10 HN ALA 10 1.300 3.940 4.235 64 HA ALA 10 HA ALA 10 -0.612 5.791 3.123 65 HB1 ALA 10 HB1 ALA 10 2.370 5.663 2.712 66 HB2 ALA 10 HB2 ALA 10 1.551 6.559 3.992 67 HB3 ALA 10 HB3 ALA 10 1.310 7.012 2.304 68 H CYS 11 HN CYS 11 0.623 2.804 2.098 69 HA CYS 11 HA CYS 11 0.544 3.560 -0.745 70 HB2 CYS 11 HB2 CYS 11 2.474 2.132 0.020 71 HB3 CYS 11 HB1 CYS 11 1.310 0.904 0.515 72 H ARG 12 HN ARG 12 -0.500 1.362 1.681 73 HA ARG 12 HA ARG 12 -2.681 0.199 0.669 74 HB2 ARG 12 HB2 ARG 12 -1.692 1.049 3.285 75 HB3 ARG 12 HB1 ARG 12 -3.384 0.639 3.210 76 HG2 ARG 12 HG2 ARG 12 -2.976 -1.566 2.839 77 HG3 ARG 12 HG1 ARG 12 -1.484 -1.241 1.961 78 HD2 ARG 12 HD2 ARG 12 -1.112 -2.348 4.138 79 HD3 ARG 12 HD1 ARG 12 -0.313 -0.779 3.994 80 HE ARG 12 HE ARG 12 -2.600 -0.104 5.203 81 HH11 ARG 12 HH11 ARG 12 -0.410 -2.755 5.866 82 HH12 ARG 12 HH12 ARG 12 -0.699 -2.723 7.577 83 HH21 ARG 12 HH21 ARG 12 -2.985 -0.057 7.445 84 HH22 ARG 12 HH22 ARG 12 -2.174 -1.196 8.477 85 H TYR 13 HN TYR 13 -2.332 3.492 1.733 86 HA TYR 13 HA TYR 13 -4.911 4.353 2.011 87 HB2 TYR 13 HB2 TYR 13 -2.850 5.673 2.427 88 HB3 TYR 13 HB1 TYR 13 -2.655 5.836 0.691 89 HD1 TYR 13 HD1 TYR 13 -4.840 6.675 3.490 90 HD2 TYR 13 HD2 TYR 13 -3.760 7.484 -0.511 91 HE1 TYR 13 HE1 TYR 13 -6.243 8.670 3.537 92 HE2 TYR 13 HE2 TYR 13 -5.164 9.509 -0.491 93 HH TYR 13 HH TYR 13 -6.349 10.883 2.326 94 H ASN 14 HN ASN 14 -3.176 3.545 -0.938 95 HA ASN 14 HA ASN 14 -5.538 4.407 -2.495 96 HB2 ASN 14 HB2 ASN 14 -2.645 4.176 -3.365 97 HB3 ASN 14 HB1 ASN 14 -3.986 4.501 -4.455 98 HD21 ASN 14 HD21 ASN 14 -5.016 6.489 -4.371 99 HD22 ASN 14 HD22 ASN 14 -4.297 7.861 -3.603 100 H ASN 15 HN ASN 15 -4.345 1.881 -1.053 101 HA ASN 15 HA ASN 15 -4.853 -0.058 -3.177 102 HB2 ASN 15 HB2 ASN 15 -2.311 0.459 -1.726 103 HB3 ASN 15 HB1 ASN 15 -2.637 -1.153 -2.360 104 HD21 ASN 15 HD21 ASN 15 -0.512 0.657 -3.066 105 HD22 ASN 15 HD22 ASN 15 -0.680 1.005 -4.753 106 HA HYP 16 HA HYP 16 -6.084 -1.244 1.169 107 HB2 HYP 16 HB1 HYP 16 -7.780 0.201 1.495 108 HB3 HYP 16 HB2 HYP 16 -8.824 -0.849 0.532 109 HG HYP 16 HG HYP 16 -8.918 0.985 -0.863 110 HD22 HYP 16 HD22 HYP 16 -7.724 -0.528 -2.230 111 HD23 HYP 16 HD23 HYP 16 -6.646 0.877 -2.255 112 HD1 HYP 16 HD1 HYP 16 -6.254 1.768 -0.352 113 H HIS 17 HN HIS 17 -6.728 -2.399 -1.831 114 HA HIS 17 HA HIS 17 -7.442 -5.025 -0.727 115 HB2 HIS 17 HB2 HIS 17 -8.716 -3.667 -3.100 116 HB3 HIS 17 HB1 HIS 17 -8.781 -5.412 -2.871 117 HD1 HIS 17 HD1 HIS 17 -10.635 -2.427 -2.125 118 HD2 HIS 17 HD2 HIS 17 -9.981 -6.061 -0.211 119 HE1 HIS 17 HE1 HIS 17 -12.474 -2.639 -0.422 120 HE2 HIS 17 HE2 HIS 17 -11.982 -4.785 0.806 121 H VAL 18 HN VAL 18 -4.914 -3.936 -1.377 122 HA VAL 18 HA VAL 18 -4.137 -5.209 -3.864 123 HB VAL 18 HB VAL 18 -3.017 -3.117 -2.112 124 HG11 VAL 18 HG11 VAL 18 -1.211 -4.823 -3.810 125 HG12 VAL 18 HG12 VAL 18 -1.235 -4.781 -2.048 126 HG13 VAL 18 HG13 VAL 18 -0.762 -3.347 -2.956 127 HG21 VAL 18 HG21 VAL 18 -4.174 -2.668 -4.242 128 HG22 VAL 18 HG22 VAL 18 -2.885 -3.522 -5.089 129 HG23 VAL 18 HG23 VAL 18 -2.527 -2.041 -4.197 130 H CYS 19 HN CYS 19 -3.606 -5.364 -0.442 131 HA CYS 19 HA CYS 19 -1.990 -7.789 -0.767 132 HB2 CYS 19 HB2 CYS 19 -1.003 -6.010 0.628 133 HB3 CYS 19 HB1 CYS 19 -2.405 -6.071 1.691 Start of MODEL 12 1 H1 ILE 1 HT1 ILE 1 3.121 3.075 -4.934 2 H2 ILE 1 HT2 ILE 1 2.977 2.971 -6.613 3 H3 ILE 1 HT3 ILE 1 4.374 3.627 -5.924 4 HA ILE 1 HA ILE 1 3.472 0.832 -5.612 5 HB ILE 1 HB ILE 1 5.526 0.313 -6.980 6 HG12 ILE 1 HG12 ILE 1 5.312 3.253 -7.683 7 HG13 ILE 1 HG11 ILE 1 6.631 2.501 -6.793 8 HG21 ILE 1 HG21 ILE 1 3.303 0.084 -7.898 9 HG22 ILE 1 HG22 ILE 1 4.397 0.714 -9.129 10 HG23 ILE 1 HG23 ILE 1 3.269 1.797 -8.315 11 HD11 ILE 1 HD11 ILE 1 7.214 1.190 -8.764 12 HD12 ILE 1 HD12 ILE 1 7.242 2.920 -9.104 13 HD13 ILE 1 HD13 ILE 1 5.888 1.934 -9.654 14 H ARG 2 HN ARG 2 4.597 -0.362 -4.169 15 HA ARG 2 HA ARG 2 7.107 0.519 -3.088 16 HB2 ARG 2 HB2 ARG 2 5.331 1.847 -1.832 17 HB3 ARG 2 HB1 ARG 2 4.764 0.315 -1.180 18 HG2 ARG 2 HG2 ARG 2 6.179 1.377 0.424 19 HG3 ARG 2 HG1 ARG 2 6.996 -0.053 -0.204 20 HD2 ARG 2 HD2 ARG 2 8.218 1.449 -1.789 21 HD3 ARG 2 HD1 ARG 2 7.514 2.819 -0.934 22 HE ARG 2 HE ARG 2 8.993 0.869 0.652 23 HH11 ARG 2 HH11 ARG 2 8.940 3.994 -0.941 24 HH12 ARG 2 HH12 ARG 2 10.305 4.608 -0.069 25 HH21 ARG 2 HH21 ARG 2 10.799 1.671 1.795 26 HH22 ARG 2 HH22 ARG 2 11.364 3.282 1.499 27 H ASP 3 HN ASP 3 8.179 -1.160 -1.999 28 HA ASP 3 HA ASP 3 7.131 -3.772 -2.585 29 HB2 ASP 3 HB2 ASP 3 9.493 -3.303 -3.035 30 HB3 ASP 3 HB1 ASP 3 9.748 -2.941 -1.333 31 H GLU 4 HN GLU 4 6.840 -1.698 -0.234 32 HA GLU 4 HA GLU 4 6.212 -3.681 1.827 33 HB2 GLU 4 HB2 GLU 4 6.875 -0.751 2.053 34 HB3 GLU 4 HB1 GLU 4 6.249 -1.722 3.363 35 HG2 GLU 4 HG2 GLU 4 8.498 -1.746 3.796 36 HG3 GLU 4 HG1 GLU 4 8.292 -3.236 2.880 37 H CYS 5 HN CYS 5 4.549 -2.877 -0.448 38 HA CYS 5 HA CYS 5 2.816 -0.791 0.162 39 HB2 CYS 5 HB2 CYS 5 3.171 -2.758 -1.899 40 HB3 CYS 5 HB1 CYS 5 1.473 -2.525 -1.551 41 H CYS 6 HN CYS 6 2.747 -4.121 1.180 42 HA CYS 6 HA CYS 6 -0.048 -3.948 1.963 43 HB2 CYS 6 HB2 CYS 6 1.047 -6.069 1.072 44 HB3 CYS 6 HB1 CYS 6 1.876 -6.179 2.622 45 H SER 7 HN SER 7 3.101 -3.539 3.305 46 HA SER 7 HA SER 7 2.227 -3.556 6.054 47 HB2 SER 7 HB2 SER 7 4.779 -2.280 5.373 48 HB3 SER 7 HB1 SER 7 4.444 -3.592 6.506 49 HG SER 7 HG SER 7 5.068 -4.956 5.048 50 H ASN 8 HN ASN 8 2.788 -1.281 3.475 51 HA ASN 8 HA ASN 8 3.169 0.906 5.328 52 HB2 ASN 8 HB2 ASN 8 4.725 0.696 3.472 53 HB3 ASN 8 HB1 ASN 8 3.400 0.784 2.312 54 HD21 ASN 8 HD21 ASN 8 4.435 2.561 1.340 55 HD22 ASN 8 HD22 ASN 8 4.378 4.134 2.050 56 HA PRO 9 HA PRO 9 -1.200 1.982 5.125 57 HB2 PRO 9 HB2 PRO 9 0.055 4.368 6.393 58 HB3 PRO 9 HB1 PRO 9 -1.388 3.481 6.892 59 HG2 PRO 9 HG2 PRO 9 0.847 3.195 8.194 60 HG3 PRO 9 HG1 PRO 9 -0.089 1.742 7.777 61 HD2 PRO 9 HD2 PRO 9 2.362 2.871 6.466 62 HD3 PRO 9 HD1 PRO 9 1.959 1.200 6.863 63 H ALA 10 HN ALA 10 1.531 3.922 4.096 64 HA ALA 10 HA ALA 10 0.051 5.947 2.776 65 HB1 ALA 10 HB1 ALA 10 2.879 5.050 2.255 66 HB2 ALA 10 HB2 ALA 10 2.385 6.235 3.463 67 HB3 ALA 10 HB3 ALA 10 2.155 6.575 1.748 68 H CYS 11 HN CYS 11 0.765 2.670 1.848 69 HA CYS 11 HA CYS 11 0.508 3.333 -1.005 70 HB2 CYS 11 HB2 CYS 11 2.282 1.700 -0.570 71 HB3 CYS 11 HB1 CYS 11 1.187 0.730 0.424 72 H ARG 12 HN ARG 12 -0.502 1.309 1.541 73 HA ARG 12 HA ARG 12 -2.758 0.187 0.712 74 HB2 ARG 12 HB2 ARG 12 -1.570 1.032 3.229 75 HB3 ARG 12 HB1 ARG 12 -3.270 0.657 3.289 76 HG2 ARG 12 HG2 ARG 12 -2.939 -1.564 2.762 77 HG3 ARG 12 HG1 ARG 12 -1.406 -1.233 1.954 78 HD2 ARG 12 HD2 ARG 12 -1.021 -2.378 4.050 79 HD3 ARG 12 HD1 ARG 12 -0.379 -0.731 4.098 80 HE ARG 12 HE ARG 12 -2.912 -0.549 5.155 81 HH11 ARG 12 HH11 ARG 12 -0.061 -2.438 5.898 82 HH12 ARG 12 HH12 ARG 12 -0.384 -2.494 7.602 83 HH21 ARG 12 HH21 ARG 12 -3.351 -0.650 7.409 84 HH22 ARG 12 HH22 ARG 12 -2.254 -1.496 8.455 85 H TYR 13 HN TYR 13 -2.375 3.490 1.796 86 HA TYR 13 HA TYR 13 -4.965 4.257 2.265 87 HB2 TYR 13 HB2 TYR 13 -2.837 5.592 2.565 88 HB3 TYR 13 HB1 TYR 13 -2.929 5.950 0.849 89 HD1 TYR 13 HD1 TYR 13 -5.019 6.139 3.892 90 HD2 TYR 13 HD2 TYR 13 -3.970 7.829 0.167 91 HE1 TYR 13 HE1 TYR 13 -6.496 8.051 4.357 92 HE2 TYR 13 HE2 TYR 13 -5.428 9.737 0.603 93 HH TYR 13 HH TYR 13 -7.447 10.245 1.983 94 H ASN 14 HN ASN 14 -3.359 3.701 -0.813 95 HA ASN 14 HA ASN 14 -5.875 4.447 -2.175 96 HB2 ASN 14 HB2 ASN 14 -3.865 5.855 -2.758 97 HB3 ASN 14 HB1 ASN 14 -3.100 4.404 -3.389 98 HD21 ASN 14 HD21 ASN 14 -6.527 5.056 -3.726 99 HD22 ASN 14 HD22 ASN 14 -6.496 5.315 -5.434 100 H ASN 15 HN ASN 15 -4.531 1.968 -0.901 101 HA ASN 15 HA ASN 15 -4.940 0.089 -3.097 102 HB2 ASN 15 HB2 ASN 15 -2.425 0.658 -1.624 103 HB3 ASN 15 HB1 ASN 15 -2.693 -0.960 -2.280 104 HD21 ASN 15 HD21 ASN 15 -1.995 2.341 -2.975 105 HD22 ASN 15 HD22 ASN 15 -1.650 2.147 -4.660 106 HA HYP 16 HA HYP 16 -6.153 -1.476 1.100 107 HB2 HYP 16 HB1 HYP 16 -7.961 -0.209 1.537 108 HB3 HYP 16 HB2 HYP 16 -8.901 -1.195 0.415 109 HG HYP 16 HG HYP 16 -9.066 0.814 -0.731 110 HD22 HYP 16 HD22 HYP 16 -7.787 -0.522 -2.230 111 HD23 HYP 16 HD23 HYP 16 -6.785 0.936 -2.105 112 HD1 HYP 16 HD1 HYP 16 -6.429 1.605 -0.095 113 H HIS 17 HN HIS 17 -6.763 -2.313 -2.041 114 HA HIS 17 HA HIS 17 -7.607 -5.034 -1.300 115 HB2 HIS 17 HB2 HIS 17 -7.701 -3.602 -3.960 116 HB3 HIS 17 HB1 HIS 17 -7.985 -5.328 -3.792 117 HD1 HIS 17 HD1 HIS 17 -10.087 -3.132 -4.779 118 HD2 HIS 17 HD2 HIS 17 -9.918 -4.907 -1.025 119 HE1 HIS 17 HE1 HIS 17 -12.412 -2.953 -3.840 120 HE2 HIS 17 HE2 HIS 17 -12.242 -3.879 -1.506 121 H VAL 18 HN VAL 18 -4.924 -3.598 -1.228 122 HA VAL 18 HA VAL 18 -3.292 -5.165 -3.007 123 HB VAL 18 HB VAL 18 -2.947 -2.829 -1.326 124 HG11 VAL 18 HG11 VAL 18 -0.621 -3.141 -0.711 125 HG12 VAL 18 HG12 VAL 18 -0.672 -4.803 -1.296 126 HG13 VAL 18 HG13 VAL 18 -1.642 -4.329 0.095 127 HG21 VAL 18 HG21 VAL 18 -1.208 -2.327 -2.956 128 HG22 VAL 18 HG22 VAL 18 -2.703 -2.851 -3.731 129 HG23 VAL 18 HG23 VAL 18 -1.343 -3.965 -3.599 130 H CYS 19 HN CYS 19 -4.409 -5.236 0.211 131 HA CYS 19 HA CYS 19 -2.769 -7.592 0.812 132 HB2 CYS 19 HB2 CYS 19 -4.307 -5.784 2.689 133 HB3 CYS 19 HB1 CYS 19 -3.365 -7.188 3.176 Start of MODEL 13 1 H1 ILE 1 HT1 ILE 1 5.800 4.172 -5.286 2 H2 ILE 1 HT2 ILE 1 5.433 3.534 -6.806 3 H3 ILE 1 HT3 ILE 1 7.007 3.424 -6.199 4 HA ILE 1 HA ILE 1 4.632 2.115 -5.028 5 HB ILE 1 HB ILE 1 5.286 1.144 -7.194 6 HG12 ILE 1 HG12 ILE 1 5.650 -1.203 -6.400 7 HG13 ILE 1 HG11 ILE 1 5.879 -0.561 -4.777 8 HG21 ILE 1 HG21 ILE 1 7.943 0.623 -5.880 9 HG22 ILE 1 HG22 ILE 1 7.639 1.744 -7.205 10 HG23 ILE 1 HG23 ILE 1 7.437 0.010 -7.454 11 HD11 ILE 1 HD11 ILE 1 3.628 -1.423 -5.094 12 HD12 ILE 1 HD12 ILE 1 3.380 -0.302 -6.433 13 HD13 ILE 1 HD13 ILE 1 3.609 0.316 -4.798 14 H ARG 2 HN ARG 2 5.033 0.881 -3.221 15 HA ARG 2 HA ARG 2 7.561 1.439 -1.852 16 HB2 ARG 2 HB2 ARG 2 4.820 0.752 -0.844 17 HB3 ARG 2 HB1 ARG 2 6.226 0.524 0.170 18 HG2 ARG 2 HG2 ARG 2 5.225 2.602 0.745 19 HG3 ARG 2 HG1 ARG 2 6.739 2.943 -0.092 20 HD2 ARG 2 HD2 ARG 2 4.439 2.789 -1.875 21 HD3 ARG 2 HD1 ARG 2 4.292 4.059 -0.662 22 HE ARG 2 HE ARG 2 6.852 4.070 -1.935 23 HH11 ARG 2 HH11 ARG 2 3.513 5.025 -2.376 24 HH12 ARG 2 HH12 ARG 2 3.905 6.380 -3.389 25 HH21 ARG 2 HH21 ARG 2 7.367 5.828 -3.281 26 HH22 ARG 2 HH22 ARG 2 6.094 6.833 -3.906 27 H ASP 3 HN ASP 3 8.543 -0.284 -0.634 28 HA ASP 3 HA ASP 3 8.410 -2.794 -2.090 29 HB2 ASP 3 HB2 ASP 3 10.602 -1.615 -1.588 30 HB3 ASP 3 HB1 ASP 3 10.350 -2.053 0.095 31 H GLU 4 HN GLU 4 7.472 -1.411 0.743 32 HA GLU 4 HA GLU 4 6.644 -3.972 1.917 33 HB2 GLU 4 HB2 GLU 4 7.303 -1.319 3.167 34 HB3 GLU 4 HB1 GLU 4 6.350 -2.531 3.996 35 HG2 GLU 4 HG2 GLU 4 9.164 -2.861 3.001 36 HG3 GLU 4 HG1 GLU 4 8.669 -2.646 4.680 37 H CYS 5 HN CYS 5 5.367 -2.557 -0.186 38 HA CYS 5 HA CYS 5 3.498 -0.645 0.438 39 HB2 CYS 5 HB2 CYS 5 4.284 -2.124 -1.791 40 HB3 CYS 5 HB1 CYS 5 2.566 -2.431 -1.631 41 H CYS 6 HN CYS 6 3.306 -4.090 0.913 42 HA CYS 6 HA CYS 6 0.460 -4.210 1.144 43 HB2 CYS 6 HB2 CYS 6 1.793 -6.172 0.498 44 HB3 CYS 6 HB1 CYS 6 2.574 -6.164 2.075 45 H SER 7 HN SER 7 3.047 -3.411 3.282 46 HA SER 7 HA SER 7 1.268 -3.550 5.619 47 HB2 SER 7 HB2 SER 7 3.754 -4.435 5.534 48 HB3 SER 7 HB1 SER 7 4.129 -2.719 5.755 49 HG SER 7 HG SER 7 3.956 -3.885 7.747 50 H ASN 8 HN ASN 8 2.740 -1.393 3.374 51 HA ASN 8 HA ASN 8 3.213 0.724 5.163 52 HB2 ASN 8 HB2 ASN 8 3.350 0.283 2.227 53 HB3 ASN 8 HB1 ASN 8 3.370 1.921 2.818 54 HD21 ASN 8 HD21 ASN 8 4.806 1.143 5.290 55 HD22 ASN 8 HD22 ASN 8 6.437 0.865 4.796 56 HA PRO 9 HA PRO 9 -1.060 2.051 5.453 57 HB2 PRO 9 HB2 PRO 9 0.429 4.430 6.462 58 HB3 PRO 9 HB1 PRO 9 -0.971 3.623 7.171 59 HG2 PRO 9 HG2 PRO 9 1.384 3.265 8.201 60 HG3 PRO 9 HG1 PRO 9 0.366 1.836 7.915 61 HD2 PRO 9 HD2 PRO 9 2.653 2.893 6.287 62 HD3 PRO 9 HD1 PRO 9 2.292 1.239 6.778 63 H ALA 10 HN ALA 10 1.518 4.069 4.112 64 HA ALA 10 HA ALA 10 -0.316 5.868 2.825 65 HB1 ALA 10 HB1 ALA 10 1.878 6.625 3.599 66 HB2 ALA 10 HB2 ALA 10 1.669 6.897 1.869 67 HB3 ALA 10 HB3 ALA 10 2.655 5.550 2.437 68 H CYS 11 HN CYS 11 0.693 2.738 2.075 69 HA CYS 11 HA CYS 11 0.650 3.219 -0.829 70 HB2 CYS 11 HB2 CYS 11 2.436 1.691 -0.102 71 HB3 CYS 11 HB1 CYS 11 1.262 0.719 0.795 72 H ARG 12 HN ARG 12 -0.533 1.421 1.804 73 HA ARG 12 HA ARG 12 -2.747 0.228 0.896 74 HB2 ARG 12 HB2 ARG 12 -1.779 1.309 3.440 75 HB3 ARG 12 HB1 ARG 12 -3.445 0.836 3.367 76 HG2 ARG 12 HG2 ARG 12 -2.973 -1.375 3.077 77 HG3 ARG 12 HG1 ARG 12 -1.375 -1.038 2.400 78 HD2 ARG 12 HD2 ARG 12 -0.483 -0.499 4.471 79 HD3 ARG 12 HD1 ARG 12 -2.073 -0.357 5.230 80 HE ARG 12 HE ARG 12 -1.353 -2.953 4.181 81 HH11 ARG 12 HH11 ARG 12 -1.733 -0.892 6.975 82 HH12 ARG 12 HH12 ARG 12 -1.606 -2.191 8.120 83 HH21 ARG 12 HH21 ARG 12 -1.168 -4.675 5.675 84 HH22 ARG 12 HH22 ARG 12 -1.289 -4.349 7.375 85 H TYR 13 HN TYR 13 -2.289 3.604 1.543 86 HA TYR 13 HA TYR 13 -4.774 4.547 2.071 87 HB2 TYR 13 HB2 TYR 13 -2.683 5.870 2.031 88 HB3 TYR 13 HB1 TYR 13 -2.764 5.870 0.277 89 HD1 TYR 13 HD1 TYR 13 -4.790 6.772 3.218 90 HD2 TYR 13 HD2 TYR 13 -3.787 7.590 -0.802 91 HE1 TYR 13 HE1 TYR 13 -6.193 8.769 3.295 92 HE2 TYR 13 HE2 TYR 13 -5.198 9.611 -0.754 93 HH TYR 13 HH TYR 13 -6.462 10.880 2.176 94 H ASN 14 HN ASN 14 -3.456 3.835 -1.175 95 HA ASN 14 HA ASN 14 -6.197 4.293 -2.203 96 HB2 ASN 14 HB2 ASN 14 -4.403 5.856 -3.095 97 HB3 ASN 14 HB1 ASN 14 -3.657 4.448 -3.844 98 HD21 ASN 14 HD21 ASN 14 -3.968 5.275 -5.917 99 HD22 ASN 14 HD22 ASN 14 -5.528 5.326 -6.664 100 H ASN 15 HN ASN 15 -4.394 2.038 -1.106 101 HA ASN 15 HA ASN 15 -4.968 0.031 -3.156 102 HB2 ASN 15 HB2 ASN 15 -2.357 0.738 -1.900 103 HB3 ASN 15 HB1 ASN 15 -2.600 -0.828 -2.684 104 HD21 ASN 15 HD21 ASN 15 -1.967 2.508 -3.085 105 HD22 ASN 15 HD22 ASN 15 -1.842 2.520 -4.811 106 HA HYP 16 HA HYP 16 -5.668 -1.297 1.254 107 HB2 HYP 16 HB1 HYP 16 -7.409 0.059 1.721 108 HB3 HYP 16 HB2 HYP 16 -8.462 -1.115 0.929 109 HG HYP 16 HG HYP 16 -8.897 0.613 -0.524 110 HD22 HYP 16 HD22 HYP 16 -7.653 -0.769 -1.983 111 HD23 HYP 16 HD23 HYP 16 -6.746 0.748 -2.115 112 HD1 HYP 16 HD1 HYP 16 -6.318 1.737 -0.259 113 H HIS 17 HN HIS 17 -6.393 -2.447 -1.689 114 HA HIS 17 HA HIS 17 -7.026 -5.125 -0.647 115 HB2 HIS 17 HB2 HIS 17 -9.021 -4.025 -1.728 116 HB3 HIS 17 HB1 HIS 17 -8.108 -3.961 -3.230 117 HD1 HIS 17 HD1 HIS 17 -8.691 -5.793 -4.760 118 HD2 HIS 17 HD2 HIS 17 -9.118 -6.927 -0.791 119 HE1 HIS 17 HE1 HIS 17 -9.533 -8.156 -4.821 120 HE2 HIS 17 HE2 HIS 17 -9.579 -8.883 -2.415 121 H VAL 18 HN VAL 18 -4.570 -3.679 -1.379 122 HA VAL 18 HA VAL 18 -3.656 -4.553 -3.903 123 HB VAL 18 HB VAL 18 -2.836 -2.716 -2.003 124 HG11 VAL 18 HG11 VAL 18 -0.646 -4.742 -2.368 125 HG12 VAL 18 HG12 VAL 18 -1.495 -4.403 -0.864 126 HG13 VAL 18 HG13 VAL 18 -0.489 -3.161 -1.606 127 HG21 VAL 18 HG21 VAL 18 -2.779 -2.442 -4.381 128 HG22 VAL 18 HG22 VAL 18 -1.480 -3.627 -4.517 129 HG23 VAL 18 HG23 VAL 18 -1.195 -2.090 -3.693 130 H CYS 19 HN CYS 19 -3.637 -5.898 -0.763 131 HA CYS 19 HA CYS 19 -2.543 -8.367 -1.850 132 HB2 CYS 19 HB2 CYS 19 -1.081 -8.642 0.176 133 HB3 CYS 19 HB1 CYS 19 -0.566 -7.387 -0.942 Start of MODEL 14 1 H1 ILE 1 HT1 ILE 1 3.492 4.365 -4.748 2 H2 ILE 1 HT2 ILE 1 2.822 4.233 -6.294 3 H3 ILE 1 HT3 ILE 1 4.499 4.240 -6.097 4 HA ILE 1 HA ILE 1 2.688 2.165 -5.038 5 HB ILE 1 HB ILE 1 2.756 2.111 -7.490 6 HG12 ILE 1 HG12 ILE 1 3.598 -0.219 -7.771 7 HG13 ILE 1 HG11 ILE 1 4.301 -0.120 -6.161 8 HG21 ILE 1 HG21 ILE 1 4.838 1.641 -8.686 9 HG22 ILE 1 HG22 ILE 1 5.735 1.810 -7.177 10 HG23 ILE 1 HG23 ILE 1 4.892 3.198 -7.860 11 HD11 ILE 1 HD11 ILE 1 1.373 0.095 -6.825 12 HD12 ILE 1 HD12 ILE 1 2.076 0.191 -5.210 13 HD13 ILE 1 HD13 ILE 1 2.186 -1.308 -6.132 14 H ARG 2 HN ARG 2 3.764 0.397 -4.101 15 HA ARG 2 HA ARG 2 6.603 0.588 -3.566 16 HB2 ARG 2 HB2 ARG 2 5.377 2.010 -1.843 17 HB3 ARG 2 HB1 ARG 2 4.624 0.524 -1.284 18 HG2 ARG 2 HG2 ARG 2 6.433 0.984 0.166 19 HG3 ARG 2 HG1 ARG 2 6.917 -0.372 -0.851 20 HD2 ARG 2 HD2 ARG 2 8.143 1.197 -2.306 21 HD3 ARG 2 HD1 ARG 2 7.708 2.513 -1.216 22 HE ARG 2 HE ARG 2 9.001 0.395 0.185 23 HH11 ARG 2 HH11 ARG 2 9.595 3.160 -1.888 24 HH12 ARG 2 HH12 ARG 2 11.230 3.363 -1.353 25 HH21 ARG 2 HH21 ARG 2 11.140 0.645 0.874 26 HH22 ARG 2 HH22 ARG 2 12.115 1.927 0.225 27 H ASP 3 HN ASP 3 7.468 -1.424 -2.869 28 HA ASP 3 HA ASP 3 5.749 -3.686 -3.423 29 HB2 ASP 3 HB2 ASP 3 8.044 -3.608 -4.369 30 HB3 ASP 3 HB1 ASP 3 8.694 -3.646 -2.735 31 H GLU 4 HN GLU 4 6.058 -1.887 -0.990 32 HA GLU 4 HA GLU 4 5.840 -3.969 1.065 33 HB2 GLU 4 HB2 GLU 4 6.561 -1.049 1.307 34 HB3 GLU 4 HB1 GLU 4 6.326 -2.146 2.645 35 HG2 GLU 4 HG2 GLU 4 8.227 -3.456 1.989 36 HG3 GLU 4 HG1 GLU 4 8.407 -2.501 0.516 37 H CYS 5 HN CYS 5 3.859 -3.041 -0.818 38 HA CYS 5 HA CYS 5 2.273 -0.953 0.236 39 HB2 CYS 5 HB2 CYS 5 2.464 -1.827 -2.193 40 HB3 CYS 5 HB1 CYS 5 1.238 -2.995 -1.706 41 H CYS 6 HN CYS 6 2.467 -4.248 1.056 42 HA CYS 6 HA CYS 6 -0.271 -4.468 1.942 43 HB2 CYS 6 HB2 CYS 6 0.984 -6.445 1.120 44 HB3 CYS 6 HB1 CYS 6 2.077 -6.297 2.490 45 H SER 7 HN SER 7 2.802 -3.545 3.254 46 HA SER 7 HA SER 7 1.717 -3.498 5.979 47 HB2 SER 7 HB2 SER 7 4.181 -4.240 5.089 48 HB3 SER 7 HB1 SER 7 4.457 -2.536 5.487 49 HG SER 7 HG SER 7 3.841 -4.692 7.153 50 H ASN 8 HN ASN 8 2.716 -1.424 3.357 51 HA ASN 8 HA ASN 8 3.296 0.803 5.066 52 HB2 ASN 8 HB2 ASN 8 4.587 0.396 3.016 53 HB3 ASN 8 HB1 ASN 8 3.130 0.630 2.055 54 HD21 ASN 8 HD21 ASN 8 5.580 2.173 3.969 55 HD22 ASN 8 HD22 ASN 8 5.219 3.795 3.486 56 HA PRO 9 HA PRO 9 -1.039 1.973 5.321 57 HB2 PRO 9 HB2 PRO 9 0.320 4.373 6.441 58 HB3 PRO 9 HB1 PRO 9 -1.039 3.463 7.104 59 HG2 PRO 9 HG2 PRO 9 1.331 3.205 8.143 60 HG3 PRO 9 HG1 PRO 9 0.389 1.734 7.809 61 HD2 PRO 9 HD2 PRO 9 2.625 2.956 6.219 62 HD3 PRO 9 HD1 PRO 9 2.353 1.274 6.674 63 H ALA 10 HN ALA 10 1.508 4.049 4.056 64 HA ALA 10 HA ALA 10 -0.281 5.965 2.922 65 HB1 ALA 10 HB1 ALA 10 1.989 6.560 3.598 66 HB2 ALA 10 HB2 ALA 10 1.701 6.923 1.896 67 HB3 ALA 10 HB3 ALA 10 2.638 5.499 2.346 68 H CYS 11 HN CYS 11 0.729 2.850 1.908 69 HA CYS 11 HA CYS 11 0.468 3.526 -0.940 70 HB2 CYS 11 HB2 CYS 11 2.405 2.054 -0.201 71 HB3 CYS 11 HB1 CYS 11 1.213 0.866 0.332 72 H ARG 12 HN ARG 12 -0.453 1.435 1.618 73 HA ARG 12 HA ARG 12 -2.678 0.237 0.769 74 HB2 ARG 12 HB2 ARG 12 -1.531 1.137 3.293 75 HB3 ARG 12 HB1 ARG 12 -3.232 0.762 3.343 76 HG2 ARG 12 HG2 ARG 12 -2.896 -1.457 2.962 77 HG3 ARG 12 HG1 ARG 12 -1.437 -1.175 2.019 78 HD2 ARG 12 HD2 ARG 12 -0.932 -2.256 4.143 79 HD3 ARG 12 HD1 ARG 12 -0.200 -0.652 4.026 80 HE ARG 12 HE ARG 12 -2.284 0.039 5.382 81 HH11 ARG 12 HH11 ARG 12 -0.664 -3.061 5.683 82 HH12 ARG 12 HH12 ARG 12 -1.078 -3.246 7.358 83 HH21 ARG 12 HH21 ARG 12 -2.832 -0.220 7.575 84 HH22 ARG 12 HH22 ARG 12 -2.314 -1.641 8.432 85 H TYR 13 HN TYR 13 -2.330 3.566 1.745 86 HA TYR 13 HA TYR 13 -4.914 4.340 2.194 87 HB2 TYR 13 HB2 TYR 13 -2.911 5.743 2.520 88 HB3 TYR 13 HB1 TYR 13 -2.777 5.906 0.775 89 HD1 TYR 13 HD1 TYR 13 -5.211 6.479 3.500 90 HD2 TYR 13 HD2 TYR 13 -3.697 7.674 -0.257 91 HE1 TYR 13 HE1 TYR 13 -6.703 8.438 3.534 92 HE2 TYR 13 HE2 TYR 13 -5.163 9.627 -0.247 93 HH TYR 13 HH TYR 13 -7.287 10.338 0.787 94 H ASN 14 HN ASN 14 -3.365 3.607 -0.875 95 HA ASN 14 HA ASN 14 -5.812 4.518 -2.278 96 HB2 ASN 14 HB2 ASN 14 -3.742 5.698 -2.977 97 HB3 ASN 14 HB1 ASN 14 -2.995 4.150 -3.354 98 HD21 ASN 14 HD21 ASN 14 -3.624 3.046 -5.210 99 HD22 ASN 14 HD22 ASN 14 -4.534 3.806 -6.466 100 H ASN 15 HN ASN 15 -4.236 1.960 -1.057 101 HA ASN 15 HA ASN 15 -4.992 0.079 -3.171 102 HB2 ASN 15 HB2 ASN 15 -2.355 0.628 -1.922 103 HB3 ASN 15 HB1 ASN 15 -2.669 -0.949 -2.649 104 HD21 ASN 15 HD21 ASN 15 -0.655 0.867 -3.459 105 HD22 ASN 15 HD22 ASN 15 -1.012 1.371 -5.078 106 HA HYP 16 HA HYP 16 -5.791 -1.345 1.196 107 HB2 HYP 16 HB1 HYP 16 -7.600 -0.116 1.701 108 HB3 HYP 16 HB2 HYP 16 -8.593 -1.185 0.708 109 HG HYP 16 HG HYP 16 -8.904 0.741 -0.523 110 HD22 HYP 16 HD22 HYP 16 -7.713 -0.622 -2.051 111 HD23 HYP 16 HD23 HYP 16 -6.735 0.855 -2.071 112 HD1 HYP 16 HD1 HYP 16 -6.263 1.663 -0.138 113 H HIS 17 HN HIS 17 -6.644 -2.474 -1.804 114 HA HIS 17 HA HIS 17 -6.960 -5.162 -0.674 115 HB2 HIS 17 HB2 HIS 17 -8.569 -5.814 -2.377 116 HB3 HIS 17 HB1 HIS 17 -9.178 -4.448 -1.462 117 HD1 HIS 17 HD1 HIS 17 -8.265 -5.536 -4.877 118 HD2 HIS 17 HD2 HIS 17 -9.339 -2.017 -2.949 119 HE1 HIS 17 HE1 HIS 17 -8.915 -3.935 -6.703 120 HE2 HIS 17 HE2 HIS 17 -9.717 -1.872 -5.503 121 H VAL 18 HN VAL 18 -4.652 -3.750 -1.609 122 HA VAL 18 HA VAL 18 -3.923 -4.938 -4.128 123 HB VAL 18 HB VAL 18 -2.850 -2.885 -2.345 124 HG11 VAL 18 HG11 VAL 18 -0.909 -4.584 -3.895 125 HG12 VAL 18 HG12 VAL 18 -1.023 -4.478 -2.140 126 HG13 VAL 18 HG13 VAL 18 -0.540 -3.066 -3.079 127 HG21 VAL 18 HG21 VAL 18 -3.877 -2.461 -4.526 128 HG22 VAL 18 HG22 VAL 18 -2.559 -3.337 -5.301 129 HG23 VAL 18 HG23 VAL 18 -2.231 -1.841 -4.424 130 H CYS 19 HN CYS 19 -3.450 -5.472 -0.773 131 HA CYS 19 HA CYS 19 -1.357 -7.419 -1.110 132 HB2 CYS 19 HB2 CYS 19 -1.447 -5.994 0.910 133 HB3 CYS 19 HB1 CYS 19 -2.975 -6.746 1.357 Start of MODEL 15 1 H1 ILE 1 HT1 ILE 1 7.755 3.824 -6.115 2 H2 ILE 1 HT2 ILE 1 7.448 4.771 -4.755 3 H3 ILE 1 HT3 ILE 1 6.497 4.951 -6.139 4 HA ILE 1 HA ILE 1 5.320 3.713 -4.446 5 HB ILE 1 HB ILE 1 6.151 1.907 -6.717 6 HG12 ILE 1 HG12 ILE 1 5.493 4.082 -7.601 7 HG13 ILE 1 HG11 ILE 1 4.249 2.889 -7.955 8 HG21 ILE 1 HG21 ILE 1 3.592 2.022 -5.138 9 HG22 ILE 1 HG22 ILE 1 4.852 0.800 -4.974 10 HG23 ILE 1 HG23 ILE 1 3.940 0.928 -6.477 11 HD11 ILE 1 HD11 ILE 1 2.897 3.737 -6.119 12 HD12 ILE 1 HD12 ILE 1 3.293 5.018 -7.266 13 HD13 ILE 1 HD13 ILE 1 4.152 4.914 -5.731 14 H ARG 2 HN ARG 2 5.343 2.220 -2.869 15 HA ARG 2 HA ARG 2 7.945 1.387 -1.981 16 HB2 ARG 2 HB2 ARG 2 5.221 0.952 -0.739 17 HB3 ARG 2 HB1 ARG 2 6.764 0.667 0.049 18 HG2 ARG 2 HG2 ARG 2 5.909 3.359 -0.973 19 HG3 ARG 2 HG1 ARG 2 5.612 2.799 0.672 20 HD2 ARG 2 HD2 ARG 2 8.310 3.100 -0.643 21 HD3 ARG 2 HD1 ARG 2 7.613 4.195 0.550 22 HE ARG 2 HE ARG 2 8.825 1.619 1.033 23 HH11 ARG 2 HH11 ARG 2 6.676 4.083 2.295 24 HH12 ARG 2 HH12 ARG 2 6.929 3.631 3.951 25 HH21 ARG 2 HH21 ARG 2 9.169 1.022 3.207 26 HH22 ARG 2 HH22 ARG 2 8.352 1.897 4.472 27 H ASP 3 HN ASP 3 8.592 -0.713 -1.519 28 HA ASP 3 HA ASP 3 7.116 -2.828 -2.892 29 HB2 ASP 3 HB2 ASP 3 9.573 -2.571 -3.368 30 HB3 ASP 3 HB1 ASP 3 9.889 -2.959 -1.681 31 H GLU 4 HN GLU 4 7.063 -1.362 -0.227 32 HA GLU 4 HA GLU 4 6.547 -3.653 1.534 33 HB2 GLU 4 HB2 GLU 4 7.281 -0.793 2.145 34 HB3 GLU 4 HB1 GLU 4 6.792 -1.967 3.343 35 HG2 GLU 4 HG2 GLU 4 8.735 -3.267 3.010 36 HG3 GLU 4 HG1 GLU 4 9.144 -2.390 1.536 37 H CYS 5 HN CYS 5 4.823 -2.506 -0.482 38 HA CYS 5 HA CYS 5 3.121 -0.520 0.394 39 HB2 CYS 5 HB2 CYS 5 3.272 -2.466 -1.786 40 HB3 CYS 5 HB1 CYS 5 1.658 -1.920 -1.403 41 H CYS 6 HN CYS 6 3.027 -3.971 0.989 42 HA CYS 6 HA CYS 6 0.267 -3.945 1.796 43 HB2 CYS 6 HB2 CYS 6 1.666 -5.955 0.896 44 HB3 CYS 6 HB1 CYS 6 2.181 -6.124 2.572 45 H SER 7 HN SER 7 3.348 -3.508 3.314 46 HA SER 7 HA SER 7 2.272 -3.515 6.000 47 HB2 SER 7 HB2 SER 7 4.929 -3.100 4.749 48 HB3 SER 7 HB1 SER 7 4.637 -2.326 6.309 49 HG SER 7 HG SER 7 4.367 -4.303 7.231 50 H ASN 8 HN ASN 8 2.828 -1.273 3.434 51 HA ASN 8 HA ASN 8 3.229 0.924 5.255 52 HB2 ASN 8 HB2 ASN 8 4.683 0.780 3.318 53 HB3 ASN 8 HB1 ASN 8 3.291 0.760 2.238 54 HD21 ASN 8 HD21 ASN 8 3.909 2.560 1.116 55 HD22 ASN 8 HD22 ASN 8 3.894 4.151 1.788 56 HA PRO 9 HA PRO 9 -1.227 1.788 5.209 57 HB2 PRO 9 HB2 PRO 9 -0.043 4.156 6.581 58 HB3 PRO 9 HB1 PRO 9 -1.451 3.198 7.049 59 HG2 PRO 9 HG2 PRO 9 0.803 2.912 8.318 60 HG3 PRO 9 HG1 PRO 9 -0.079 1.452 7.818 61 HD2 PRO 9 HD2 PRO 9 2.306 2.754 6.556 62 HD3 PRO 9 HD1 PRO 9 1.985 1.051 6.861 63 H ALA 10 HN ALA 10 1.389 3.937 4.275 64 HA ALA 10 HA ALA 10 -0.229 5.922 3.053 65 HB1 ALA 10 HB1 ALA 10 2.035 6.394 3.804 66 HB2 ALA 10 HB2 ALA 10 1.853 6.755 2.088 67 HB3 ALA 10 HB3 ALA 10 2.679 5.283 2.597 68 H CYS 11 HN CYS 11 0.772 2.778 1.939 69 HA CYS 11 HA CYS 11 0.541 3.610 -0.875 70 HB2 CYS 11 HB2 CYS 11 2.477 2.143 -0.373 71 HB3 CYS 11 HB1 CYS 11 1.389 0.954 0.347 72 H ARG 12 HN ARG 12 -0.397 1.359 1.530 73 HA ARG 12 HA ARG 12 -2.614 0.207 0.603 74 HB2 ARG 12 HB2 ARG 12 -1.515 1.009 3.180 75 HB3 ARG 12 HB1 ARG 12 -3.216 0.622 3.180 76 HG2 ARG 12 HG2 ARG 12 -2.857 -1.580 2.742 77 HG3 ARG 12 HG1 ARG 12 -1.392 -1.262 1.819 78 HD2 ARG 12 HD2 ARG 12 -0.982 -2.412 3.978 79 HD3 ARG 12 HD1 ARG 12 -0.136 -0.869 3.807 80 HE ARG 12 HE ARG 12 -2.340 -0.115 5.109 81 HH11 ARG 12 HH11 ARG 12 -0.257 -2.872 5.659 82 HH12 ARG 12 HH12 ARG 12 -0.465 -2.837 7.382 83 HH21 ARG 12 HH21 ARG 12 -2.618 -0.073 7.372 84 HH22 ARG 12 HH22 ARG 12 -1.803 -1.250 8.357 85 H TYR 13 HN TYR 13 -2.277 3.510 1.648 86 HA TYR 13 HA TYR 13 -4.824 4.330 2.128 87 HB2 TYR 13 HB2 TYR 13 -2.805 5.728 2.316 88 HB3 TYR 13 HB1 TYR 13 -2.717 5.801 0.565 89 HD1 TYR 13 HD1 TYR 13 -4.983 6.575 3.352 90 HD2 TYR 13 HD2 TYR 13 -3.698 7.529 -0.555 91 HE1 TYR 13 HE1 TYR 13 -6.424 8.546 3.383 92 HE2 TYR 13 HE2 TYR 13 -5.142 9.527 -0.554 93 HH TYR 13 HH TYR 13 -7.155 10.342 0.592 94 H ASN 14 HN ASN 14 -3.301 3.768 -1.024 95 HA ASN 14 HA ASN 14 -5.952 4.201 -2.235 96 HB2 ASN 14 HB2 ASN 14 -4.844 4.846 -4.312 97 HB3 ASN 14 HB1 ASN 14 -4.342 5.896 -2.998 98 HD21 ASN 14 HD21 ASN 14 -3.374 3.667 -5.382 99 HD22 ASN 14 HD22 ASN 14 -1.677 3.710 -5.056 100 H ASN 15 HN ASN 15 -4.392 1.937 -1.000 101 HA ASN 15 HA ASN 15 -4.802 -0.036 -3.121 102 HB2 ASN 15 HB2 ASN 15 -2.332 0.644 -1.655 103 HB3 ASN 15 HB1 ASN 15 -2.607 -1.063 -2.004 104 HD21 ASN 15 HD21 ASN 15 -1.591 1.944 -3.200 105 HD22 ASN 15 HD22 ASN 15 -1.300 1.464 -4.835 106 HA HYP 16 HA HYP 16 -6.237 -1.340 1.116 107 HB2 HYP 16 HB1 HYP 16 -8.000 0.027 1.424 108 HB3 HYP 16 HB2 HYP 16 -8.951 -0.974 0.322 109 HG HYP 16 HG HYP 16 -8.977 0.986 -0.923 110 HD22 HYP 16 HD22 HYP 16 -7.733 -0.506 -2.308 111 HD23 HYP 16 HD23 HYP 16 -6.667 0.909 -2.243 112 HD1 HYP 16 HD1 HYP 16 -6.317 1.662 -0.249 113 H HIS 17 HN HIS 17 -6.809 -2.336 -1.981 114 HA HIS 17 HA HIS 17 -7.915 -4.927 -1.132 115 HB2 HIS 17 HB2 HIS 17 -9.134 -3.702 -2.936 116 HB3 HIS 17 HB1 HIS 17 -7.691 -3.793 -3.935 117 HD1 HIS 17 HD1 HIS 17 -10.278 -6.063 -2.349 118 HD2 HIS 17 HD2 HIS 17 -7.456 -6.093 -5.400 119 HE1 HIS 17 HE1 HIS 17 -10.673 -8.196 -3.614 120 HE2 HIS 17 HE2 HIS 17 -9.002 -8.161 -5.498 121 H VAL 18 HN VAL 18 -5.064 -3.411 -1.726 122 HA VAL 18 HA VAL 18 -3.650 -5.323 -3.227 123 HB VAL 18 HB VAL 18 -3.206 -2.777 -2.511 124 HG11 VAL 18 HG11 VAL 18 -1.298 -4.372 -0.830 125 HG12 VAL 18 HG12 VAL 18 -2.595 -3.341 -0.228 126 HG13 VAL 18 HG13 VAL 18 -1.239 -2.629 -1.105 127 HG21 VAL 18 HG21 VAL 18 -0.998 -3.019 -3.515 128 HG22 VAL 18 HG22 VAL 18 -2.253 -3.874 -4.409 129 HG23 VAL 18 HG23 VAL 18 -1.142 -4.770 -3.377 130 H CYS 19 HN CYS 19 -4.648 -5.233 -0.002 131 HA CYS 19 HA CYS 19 -2.991 -7.589 0.578 132 HB2 CYS 19 HB2 CYS 19 -3.846 -5.481 2.574 133 HB3 CYS 19 HB1 CYS 19 -2.947 -6.947 2.948 Start of MODEL 16 1 H1 ILE 1 HT1 ILE 1 3.782 4.102 -5.286 2 H2 ILE 1 HT2 ILE 1 2.845 3.932 -6.684 3 H3 ILE 1 HT3 ILE 1 4.513 3.684 -6.749 4 HA ILE 1 HA ILE 1 2.592 2.035 -5.227 5 HB ILE 1 HB ILE 1 3.177 0.248 -6.838 6 HG12 ILE 1 HG12 ILE 1 4.479 2.473 -8.426 7 HG13 ILE 1 HG11 ILE 1 5.349 1.203 -7.573 8 HG21 ILE 1 HG21 ILE 1 1.125 1.519 -7.127 9 HG22 ILE 1 HG22 ILE 1 1.805 1.077 -8.692 10 HG23 ILE 1 HG23 ILE 1 1.988 2.722 -8.086 11 HD11 ILE 1 HD11 ILE 1 4.314 -0.471 -9.016 12 HD12 ILE 1 HD12 ILE 1 5.209 0.732 -9.946 13 HD13 ILE 1 HD13 ILE 1 3.447 0.804 -9.870 14 H ARG 2 HN ARG 2 3.515 0.324 -4.075 15 HA ARG 2 HA ARG 2 6.427 0.340 -3.824 16 HB2 ARG 2 HB2 ARG 2 4.472 0.479 -1.517 17 HB3 ARG 2 HB1 ARG 2 6.197 0.193 -1.348 18 HG2 ARG 2 HG2 ARG 2 4.973 2.678 -2.531 19 HG3 ARG 2 HG1 ARG 2 5.549 2.519 -0.871 20 HD2 ARG 2 HD2 ARG 2 7.224 2.209 -3.362 21 HD3 ARG 2 HD1 ARG 2 7.209 3.614 -2.299 22 HE ARG 2 HE ARG 2 7.837 1.162 -0.945 23 HH11 ARG 2 HH11 ARG 2 9.147 3.823 -2.797 24 HH12 ARG 2 HH12 ARG 2 10.751 3.646 -2.159 25 HH21 ARG 2 HH21 ARG 2 9.944 0.912 -0.094 26 HH22 ARG 2 HH22 ARG 2 11.202 1.998 -0.609 27 H ASP 3 HN ASP 3 7.302 -1.605 -2.944 28 HA ASP 3 HA ASP 3 5.594 -3.910 -3.449 29 HB2 ASP 3 HB2 ASP 3 7.818 -3.765 -4.580 30 HB3 ASP 3 HB1 ASP 3 8.582 -3.823 -2.997 31 H GLU 4 HN GLU 4 6.154 -2.035 -1.100 32 HA GLU 4 HA GLU 4 6.082 -4.059 1.036 33 HB2 GLU 4 HB2 GLU 4 6.816 -1.135 1.106 34 HB3 GLU 4 HB1 GLU 4 6.678 -2.165 2.507 35 HG2 GLU 4 HG2 GLU 4 8.577 -3.416 1.916 36 HG3 GLU 4 HG1 GLU 4 8.573 -2.774 0.273 37 H CYS 5 HN CYS 5 4.006 -3.033 -0.779 38 HA CYS 5 HA CYS 5 2.547 -0.920 0.326 39 HB2 CYS 5 HB2 CYS 5 2.491 -1.887 -2.058 40 HB3 CYS 5 HB1 CYS 5 1.313 -3.027 -1.419 41 H CYS 6 HN CYS 6 2.491 -4.324 1.038 42 HA CYS 6 HA CYS 6 -0.103 -4.367 2.222 43 HB2 CYS 6 HB2 CYS 6 1.007 -6.428 1.454 44 HB3 CYS 6 HB1 CYS 6 2.249 -6.218 2.684 45 H SER 7 HN SER 7 3.150 -3.751 3.381 46 HA SER 7 HA SER 7 2.368 -3.502 6.136 47 HB2 SER 7 HB2 SER 7 4.897 -2.361 5.076 48 HB3 SER 7 HB1 SER 7 4.619 -3.304 6.538 49 HG SER 7 HG SER 7 4.386 -5.164 5.223 50 H ASN 8 HN ASN 8 2.744 -1.457 3.339 51 HA ASN 8 HA ASN 8 3.351 0.854 4.948 52 HB2 ASN 8 HB2 ASN 8 4.622 0.496 2.906 53 HB3 ASN 8 HB1 ASN 8 3.141 0.509 1.954 54 HD21 ASN 8 HD21 ASN 8 4.170 2.181 0.731 55 HD22 ASN 8 HD22 ASN 8 4.152 3.813 1.305 56 HA PRO 9 HA PRO 9 -1.049 1.760 5.281 57 HB2 PRO 9 HB2 PRO 9 -0.679 4.128 6.589 58 HB3 PRO 9 HB1 PRO 9 -0.540 2.560 7.352 59 HG2 PRO 9 HG2 PRO 9 1.651 4.246 6.279 60 HG3 PRO 9 HG1 PRO 9 1.498 3.482 7.879 61 HD2 PRO 9 HD2 PRO 9 2.912 2.307 6.021 62 HD3 PRO 9 HD1 PRO 9 1.829 1.334 7.018 63 H ALA 10 HN ALA 10 1.307 4.206 4.458 64 HA ALA 10 HA ALA 10 -0.392 5.965 3.089 65 HB1 ALA 10 HB1 ALA 10 1.843 6.567 3.903 66 HB2 ALA 10 HB2 ALA 10 1.619 6.978 2.203 67 HB3 ALA 10 HB3 ALA 10 2.560 5.555 2.649 68 H CYS 11 HN CYS 11 0.630 2.846 2.097 69 HA CYS 11 HA CYS 11 0.582 3.563 -0.755 70 HB2 CYS 11 HB2 CYS 11 2.433 2.053 0.035 71 HB3 CYS 11 HB1 CYS 11 1.209 0.899 0.572 72 H ARG 12 HN ARG 12 -0.520 1.389 1.655 73 HA ARG 12 HA ARG 12 -2.710 0.270 0.646 74 HB2 ARG 12 HB2 ARG 12 -1.712 1.072 3.266 75 HB3 ARG 12 HB1 ARG 12 -3.406 0.678 3.195 76 HG2 ARG 12 HG2 ARG 12 -3.016 -1.523 2.696 77 HG3 ARG 12 HG1 ARG 12 -1.464 -1.173 1.939 78 HD2 ARG 12 HD2 ARG 12 -1.130 -2.338 4.034 79 HD3 ARG 12 HD1 ARG 12 -0.507 -0.686 4.124 80 HE ARG 12 HE ARG 12 -3.085 -0.566 5.095 81 HH11 ARG 12 HH11 ARG 12 -0.190 -2.342 5.941 82 HH12 ARG 12 HH12 ARG 12 -0.573 -2.415 7.631 83 HH21 ARG 12 HH21 ARG 12 -3.615 -0.687 7.310 84 HH22 ARG 12 HH22 ARG 12 -2.530 -1.475 8.412 85 H TYR 13 HN TYR 13 -2.364 3.570 1.663 86 HA TYR 13 HA TYR 13 -4.912 4.447 2.043 87 HB2 TYR 13 HB2 TYR 13 -2.802 5.763 2.249 88 HB3 TYR 13 HB1 TYR 13 -2.781 5.898 0.500 89 HD1 TYR 13 HD1 TYR 13 -4.947 6.596 3.391 90 HD2 TYR 13 HD2 TYR 13 -3.753 7.697 -0.509 91 HE1 TYR 13 HE1 TYR 13 -6.356 8.584 3.541 92 HE2 TYR 13 HE2 TYR 13 -5.166 9.712 -0.381 93 HH TYR 13 HH TYR 13 -7.141 10.498 0.850 94 H ASN 14 HN ASN 14 -3.329 3.682 -1.020 95 HA ASN 14 HA ASN 14 -5.834 4.416 -2.415 96 HB2 ASN 14 HB2 ASN 14 -3.805 5.746 -3.075 97 HB3 ASN 14 HB1 ASN 14 -3.051 4.247 -3.605 98 HD21 ASN 14 HD21 ASN 14 -2.878 4.965 -5.718 99 HD22 ASN 14 HD22 ASN 14 -4.247 5.098 -6.766 100 H ASN 15 HN ASN 15 -4.394 1.971 -1.073 101 HA ASN 15 HA ASN 15 -4.907 0.014 -3.187 102 HB2 ASN 15 HB2 ASN 15 -2.378 0.615 -1.750 103 HB3 ASN 15 HB1 ASN 15 -2.651 -1.005 -2.392 104 HD21 ASN 15 HD21 ASN 15 -0.595 0.852 -3.110 105 HD22 ASN 15 HD22 ASN 15 -0.783 1.193 -4.795 106 HA HYP 16 HA HYP 16 -6.053 -1.326 1.128 107 HB2 HYP 16 HB1 HYP 16 -7.847 -0.025 1.526 108 HB3 HYP 16 HB2 HYP 16 -8.819 -1.069 0.485 109 HG HYP 16 HG HYP 16 -8.998 0.864 -0.777 110 HD22 HYP 16 HD22 HYP 16 -7.758 -0.553 -2.225 111 HD23 HYP 16 HD23 HYP 16 -6.741 0.898 -2.198 112 HD1 HYP 16 HD1 HYP 16 -6.363 1.719 -0.292 113 H HIS 17 HN HIS 17 -6.792 -2.375 -1.927 114 HA HIS 17 HA HIS 17 -7.606 -5.024 -0.932 115 HB2 HIS 17 HB2 HIS 17 -8.615 -5.477 -3.106 116 HB3 HIS 17 HB1 HIS 17 -9.296 -4.013 -2.414 117 HD1 HIS 17 HD1 HIS 17 -7.178 -5.234 -5.252 118 HD2 HIS 17 HD2 HIS 17 -8.802 -1.670 -3.861 119 HE1 HIS 17 HE1 HIS 17 -6.932 -3.596 -7.139 120 HE2 HIS 17 HE2 HIS 17 -7.720 -1.401 -6.192 121 H VAL 18 HN VAL 18 -4.921 -3.732 -1.298 122 HA VAL 18 HA VAL 18 -3.696 -5.258 -3.410 123 HB VAL 18 HB VAL 18 -2.960 -3.005 -1.680 124 HG11 VAL 18 HG11 VAL 18 -0.567 -3.270 -1.979 125 HG12 VAL 18 HG12 VAL 18 -0.819 -4.866 -2.682 126 HG13 VAL 18 HG13 VAL 18 -1.234 -4.568 -0.995 127 HG21 VAL 18 HG21 VAL 18 -2.247 -3.787 -4.491 128 HG22 VAL 18 HG22 VAL 18 -1.906 -2.230 -3.737 129 HG23 VAL 18 HG23 VAL 18 -3.574 -2.736 -4.001 130 H CYS 19 HN CYS 19 -4.106 -5.378 -0.018 131 HA CYS 19 HA CYS 19 -2.835 -7.997 0.047 132 HB2 CYS 19 HB2 CYS 19 -1.136 -6.290 0.764 133 HB3 CYS 19 HB1 CYS 19 -2.197 -5.873 2.103 Start of MODEL 17 1 H1 ILE 1 HT1 ILE 1 5.520 5.132 -5.311 2 H2 ILE 1 HT2 ILE 1 4.868 5.928 -3.973 3 H3 ILE 1 HT3 ILE 1 3.871 5.503 -5.270 4 HA ILE 1 HA ILE 1 3.542 4.023 -3.422 5 HB ILE 1 HB ILE 1 4.207 1.842 -4.605 6 HG12 ILE 1 HG12 ILE 1 4.628 2.281 -7.109 7 HG13 ILE 1 HG11 ILE 1 5.170 3.878 -6.608 8 HG21 ILE 1 HG21 ILE 1 1.989 2.802 -4.718 9 HG22 ILE 1 HG22 ILE 1 2.446 2.116 -6.277 10 HG23 ILE 1 HG23 ILE 1 2.493 3.861 -6.033 11 HD11 ILE 1 HD11 ILE 1 6.881 2.826 -5.193 12 HD12 ILE 1 HD12 ILE 1 7.051 2.401 -6.896 13 HD13 ILE 1 HD13 ILE 1 6.354 1.243 -5.764 14 H ARG 2 HN ARG 2 4.671 1.742 -2.793 15 HA ARG 2 HA ARG 2 7.443 2.182 -2.030 16 HB2 ARG 2 HB2 ARG 2 5.863 3.033 -0.214 17 HB3 ARG 2 HB1 ARG 2 5.339 1.368 -0.016 18 HG2 ARG 2 HG2 ARG 2 6.947 1.869 1.672 19 HG3 ARG 2 HG1 ARG 2 7.686 0.757 0.518 20 HD2 ARG 2 HD2 ARG 2 8.889 2.557 -0.526 21 HD3 ARG 2 HD1 ARG 2 8.043 3.748 0.460 22 HE ARG 2 HE ARG 2 9.495 1.797 2.002 23 HH11 ARG 2 HH11 ARG 2 9.736 4.824 0.253 24 HH12 ARG 2 HH12 ARG 2 11.068 5.412 1.196 25 HH21 ARG 2 HH21 ARG 2 11.256 2.577 3.249 26 HH22 ARG 2 HH22 ARG 2 11.932 4.134 2.897 27 H ASP 3 HN ASP 3 8.555 0.188 -1.676 28 HA ASP 3 HA ASP 3 7.210 -2.088 -2.846 29 HB2 ASP 3 HB2 ASP 3 9.598 -1.490 -3.398 30 HB3 ASP 3 HB1 ASP 3 10.029 -1.991 -1.767 31 H GLU 4 HN GLU 4 7.007 -0.805 -0.121 32 HA GLU 4 HA GLU 4 6.711 -3.267 1.450 33 HB2 GLU 4 HB2 GLU 4 6.995 -0.392 2.332 34 HB3 GLU 4 HB1 GLU 4 6.694 -1.751 3.387 35 HG2 GLU 4 HG2 GLU 4 8.833 -2.661 3.007 36 HG3 GLU 4 HG1 GLU 4 9.108 -1.601 1.624 37 H CYS 5 HN CYS 5 5.016 -2.262 -0.586 38 HA CYS 5 HA CYS 5 3.179 -0.324 0.069 39 HB2 CYS 5 HB2 CYS 5 3.659 -1.302 -2.203 40 HB3 CYS 5 HB1 CYS 5 2.608 -2.644 -1.766 41 H CYS 6 HN CYS 6 2.968 -3.790 0.740 42 HA CYS 6 HA CYS 6 0.155 -3.601 1.362 43 HB2 CYS 6 HB2 CYS 6 1.455 -5.645 0.382 44 HB3 CYS 6 HB1 CYS 6 1.841 -5.978 2.068 45 H SER 7 HN SER 7 3.161 -3.399 3.025 46 HA SER 7 HA SER 7 1.970 -3.530 5.656 47 HB2 SER 7 HB2 SER 7 4.692 -3.046 4.558 48 HB3 SER 7 HB1 SER 7 4.326 -2.455 6.179 49 HG SER 7 HG SER 7 4.038 -5.142 5.240 50 H ASN 8 HN ASN 8 2.965 -1.125 3.326 51 HA ASN 8 HA ASN 8 3.164 0.924 5.312 52 HB2 ASN 8 HB2 ASN 8 4.692 0.921 3.419 53 HB3 ASN 8 HB1 ASN 8 3.344 1.046 2.296 54 HD21 ASN 8 HD21 ASN 8 4.187 2.939 1.409 55 HD22 ASN 8 HD22 ASN 8 4.133 4.450 2.243 56 HA PRO 9 HA PRO 9 -1.237 1.915 5.266 57 HB2 PRO 9 HB2 PRO 9 -0.007 4.281 6.595 58 HB3 PRO 9 HB1 PRO 9 -1.423 3.351 7.088 59 HG2 PRO 9 HG2 PRO 9 0.836 3.040 8.333 60 HG3 PRO 9 HG1 PRO 9 -0.072 1.588 7.856 61 HD2 PRO 9 HD2 PRO 9 2.328 2.843 6.562 62 HD3 PRO 9 HD1 PRO 9 1.971 1.147 6.878 63 H ALA 10 HN ALA 10 1.367 4.054 4.271 64 HA ALA 10 HA ALA 10 -0.314 5.977 2.996 65 HB1 ALA 10 HB1 ALA 10 2.623 5.453 2.571 66 HB2 ALA 10 HB2 ALA 10 1.940 6.522 3.794 67 HB3 ALA 10 HB3 ALA 10 1.738 6.898 2.084 68 H CYS 11 HN CYS 11 0.725 2.838 2.074 69 HA CYS 11 HA CYS 11 0.563 3.461 -0.795 70 HB2 CYS 11 HB2 CYS 11 2.446 1.958 0.311 71 HB3 CYS 11 HB1 CYS 11 1.178 0.731 0.283 72 H ARG 12 HN ARG 12 -0.448 1.479 1.789 73 HA ARG 12 HA ARG 12 -2.663 0.290 0.838 74 HB2 ARG 12 HB2 ARG 12 -1.605 1.158 3.422 75 HB3 ARG 12 HB1 ARG 12 -3.297 0.740 3.386 76 HG2 ARG 12 HG2 ARG 12 -2.887 -1.455 3.049 77 HG3 ARG 12 HG1 ARG 12 -1.477 -1.138 2.048 78 HD2 ARG 12 HD2 ARG 12 -0.821 -2.227 4.099 79 HD3 ARG 12 HD1 ARG 12 -0.188 -0.579 4.042 80 HE ARG 12 HE ARG 12 -2.292 -0.105 5.482 81 HH11 ARG 12 HH11 ARG 12 -0.399 -3.050 5.591 82 HH12 ARG 12 HH12 ARG 12 -0.673 -3.315 7.284 83 HH21 ARG 12 HH21 ARG 12 -2.676 -0.462 7.708 84 HH22 ARG 12 HH22 ARG 12 -1.983 -1.849 8.487 85 H TYR 13 HN TYR 13 -2.237 3.639 1.544 86 HA TYR 13 HA TYR 13 -4.846 4.505 1.867 87 HB2 TYR 13 HB2 TYR 13 -3.078 6.039 2.224 88 HB3 TYR 13 HB1 TYR 13 -2.415 5.747 0.627 89 HD1 TYR 13 HD1 TYR 13 -5.338 7.239 2.336 90 HD2 TYR 13 HD2 TYR 13 -2.931 7.051 -1.128 91 HE1 TYR 13 HE1 TYR 13 -6.515 9.203 1.426 92 HE2 TYR 13 HE2 TYR 13 -4.082 8.997 -2.056 93 HH TYR 13 HH TYR 13 -6.241 10.154 -1.827 94 H ASN 14 HN ASN 14 -3.076 3.577 -1.030 95 HA ASN 14 HA ASN 14 -5.544 3.973 -2.601 96 HB2 ASN 14 HB2 ASN 14 -4.105 4.057 -4.610 97 HB3 ASN 14 HB1 ASN 14 -3.715 5.347 -3.480 98 HD21 ASN 14 HD21 ASN 14 -1.736 5.366 -2.480 99 HD22 ASN 14 HD22 ASN 14 -0.442 4.308 -2.919 100 H ASN 15 HN ASN 15 -4.417 1.818 -0.827 101 HA ASN 15 HA ASN 15 -4.732 -0.450 -2.615 102 HB2 ASN 15 HB2 ASN 15 -2.466 -0.307 -2.874 103 HB3 ASN 15 HB1 ASN 15 -2.265 0.495 -1.335 104 HD21 ASN 15 HD21 ASN 15 -0.586 -0.695 -0.650 105 HD22 ASN 15 HD22 ASN 15 -0.696 -2.383 -0.256 106 HA HYP 16 HA HYP 16 -6.482 -1.466 1.486 107 HB2 HYP 16 HB1 HYP 16 -8.261 -0.064 1.524 108 HB3 HYP 16 HB2 HYP 16 -9.087 -1.129 0.380 109 HG HYP 16 HG HYP 16 -8.982 0.762 -0.970 110 HD22 HYP 16 HD22 HYP 16 -7.591 -0.823 -2.099 111 HD23 HYP 16 HD23 HYP 16 -6.555 0.616 -2.038 112 HD1 HYP 16 HD1 HYP 16 -6.405 1.517 -0.078 113 H HIS 17 HN HIS 17 -6.586 -2.472 -1.626 114 HA HIS 17 HA HIS 17 -6.734 -5.236 -0.972 115 HB2 HIS 17 HB2 HIS 17 -9.170 -4.640 -1.050 116 HB3 HIS 17 HB1 HIS 17 -8.957 -4.175 -2.733 117 HD1 HIS 17 HD1 HIS 17 -9.794 -5.938 -4.233 118 HD2 HIS 17 HD2 HIS 17 -8.108 -7.536 -0.790 119 HE1 HIS 17 HE1 HIS 17 -9.988 -8.431 -4.483 120 HE2 HIS 17 HE2 HIS 17 -8.845 -9.378 -2.450 121 H VAL 18 HN VAL 18 -4.785 -3.653 -2.045 122 HA VAL 18 HA VAL 18 -4.802 -4.130 -4.923 123 HB VAL 18 HB VAL 18 -3.712 -2.073 -3.171 124 HG11 VAL 18 HG11 VAL 18 -1.966 -2.834 -5.491 125 HG12 VAL 18 HG12 VAL 18 -1.625 -3.284 -3.819 126 HG13 VAL 18 HG13 VAL 18 -1.696 -1.580 -4.271 127 HG21 VAL 18 HG21 VAL 18 -4.198 -2.097 -6.134 128 HG22 VAL 18 HG22 VAL 18 -3.970 -0.680 -5.112 129 HG23 VAL 18 HG23 VAL 18 -5.396 -1.695 -4.910 130 H CYS 19 HN CYS 19 -3.328 -5.034 -1.973 131 HA CYS 19 HA CYS 19 -1.402 -6.724 -3.398 132 HB2 CYS 19 HB2 CYS 19 -0.294 -6.970 -1.157 133 HB3 CYS 19 HB1 CYS 19 -0.274 -5.336 -1.803 Start of MODEL 18 1 H1 ILE 1 HT1 ILE 1 1.768 -10.898 8.548 2 H2 ILE 1 HT2 ILE 1 3.253 -10.859 9.353 3 H3 ILE 1 HT3 ILE 1 3.057 -11.838 7.993 4 HA ILE 1 HA ILE 1 2.908 -8.884 7.999 5 HB ILE 1 HB ILE 1 5.011 -8.936 6.740 6 HG12 ILE 1 HG12 ILE 1 5.101 -11.881 7.438 7 HG13 ILE 1 HG11 ILE 1 4.780 -11.236 5.832 8 HG21 ILE 1 HG21 ILE 1 6.503 -9.471 8.611 9 HG22 ILE 1 HG22 ILE 1 5.178 -10.304 9.422 10 HG23 ILE 1 HG23 ILE 1 5.083 -8.567 9.137 11 HD11 ILE 1 HD11 ILE 1 7.321 -10.879 7.401 12 HD12 ILE 1 HD12 ILE 1 7.004 -10.237 5.790 13 HD13 ILE 1 HD13 ILE 1 7.079 -11.979 6.045 14 H ARG 2 HN ARG 2 2.948 -8.016 5.778 15 HA ARG 2 HA ARG 2 1.734 -9.859 3.865 16 HB2 ARG 2 HB2 ARG 2 0.767 -7.100 4.602 17 HB3 ARG 2 HB1 ARG 2 0.292 -7.913 3.119 18 HG2 ARG 2 HG2 ARG 2 -0.233 -8.895 5.915 19 HG3 ARG 2 HG1 ARG 2 -1.411 -8.175 4.815 20 HD2 ARG 2 HD2 ARG 2 0.013 -10.812 4.551 21 HD3 ARG 2 HD1 ARG 2 -1.718 -10.522 4.691 22 HE ARG 2 HE ARG 2 -0.204 -9.604 2.337 23 HH11 ARG 2 HH11 ARG 2 -2.867 -11.425 3.716 24 HH12 ARG 2 HH12 ARG 2 -3.545 -11.815 2.169 25 HH21 ARG 2 HH21 ARG 2 -1.096 -10.094 0.333 26 HH22 ARG 2 HH22 ARG 2 -2.543 -11.065 0.241 27 H ASP 3 HN ASP 3 1.377 -8.332 1.752 28 HA ASP 3 HA ASP 3 3.744 -8.075 0.454 29 HB2 ASP 3 HB2 ASP 3 1.245 -6.476 -0.107 30 HB3 ASP 3 HB1 ASP 3 2.461 -7.010 -1.256 31 H GLU 4 HN GLU 4 4.756 -6.305 -0.332 32 HA GLU 4 HA GLU 4 5.799 -4.601 1.591 33 HB2 GLU 4 HB2 GLU 4 5.871 -3.990 -1.359 34 HB3 GLU 4 HB1 GLU 4 7.074 -3.600 -0.144 35 HG2 GLU 4 HG2 GLU 4 8.078 -5.351 -1.217 36 HG3 GLU 4 HG1 GLU 4 7.262 -6.187 0.102 37 H CYS 5 HN CYS 5 3.197 -4.092 -0.666 38 HA CYS 5 HA CYS 5 2.967 -1.272 -0.069 39 HB2 CYS 5 HB2 CYS 5 2.448 -2.044 -2.318 40 HB3 CYS 5 HB1 CYS 5 1.223 -3.140 -1.691 41 H CYS 6 HN CYS 6 1.825 -4.209 1.227 42 HA CYS 6 HA CYS 6 -0.557 -3.003 2.395 43 HB2 CYS 6 HB2 CYS 6 -0.545 -5.322 1.387 44 HB3 CYS 6 HB1 CYS 6 0.428 -5.827 2.761 45 H SER 7 HN SER 7 2.704 -3.798 3.238 46 HA SER 7 HA SER 7 2.409 -3.574 6.059 47 HB2 SER 7 HB2 SER 7 4.833 -2.604 4.630 48 HB3 SER 7 HB1 SER 7 4.718 -3.557 6.110 49 HG SER 7 HG SER 7 3.873 -5.284 4.673 50 H ASN 8 HN ASN 8 2.580 -1.417 3.386 51 HA ASN 8 HA ASN 8 3.380 0.803 5.062 52 HB2 ASN 8 HB2 ASN 8 4.664 0.489 3.037 53 HB3 ASN 8 HB1 ASN 8 3.193 0.503 2.068 54 HD21 ASN 8 HD21 ASN 8 4.068 2.200 0.830 55 HD22 ASN 8 HD22 ASN 8 4.096 3.825 1.425 56 HA PRO 9 HA PRO 9 -1.056 1.793 5.305 57 HB2 PRO 9 HB2 PRO 9 0.263 4.147 6.576 58 HB3 PRO 9 HB1 PRO 9 -1.135 3.226 7.140 59 HG2 PRO 9 HG2 PRO 9 1.180 2.895 8.275 60 HG3 PRO 9 HG1 PRO 9 0.248 1.447 7.828 61 HD2 PRO 9 HD2 PRO 9 2.566 2.725 6.410 62 HD3 PRO 9 HD1 PRO 9 2.261 1.024 6.760 63 H ALA 10 HN ALA 10 1.530 3.932 4.236 64 HA ALA 10 HA ALA 10 -0.190 5.871 3.047 65 HB1 ALA 10 HB1 ALA 10 2.745 5.374 2.560 66 HB2 ALA 10 HB2 ALA 10 2.075 6.416 3.815 67 HB3 ALA 10 HB3 ALA 10 1.843 6.822 2.114 68 H CYS 11 HN CYS 11 0.711 2.737 2.051 69 HA CYS 11 HA CYS 11 0.634 3.435 -0.806 70 HB2 CYS 11 HB2 CYS 11 2.437 1.857 0.059 71 HB3 CYS 11 HB1 CYS 11 1.147 0.727 0.478 72 H ARG 12 HN ARG 12 -0.547 1.410 1.687 73 HA ARG 12 HA ARG 12 -2.782 0.310 0.770 74 HB2 ARG 12 HB2 ARG 12 -1.744 1.276 3.318 75 HB3 ARG 12 HB1 ARG 12 -3.450 0.939 3.279 76 HG2 ARG 12 HG2 ARG 12 -3.145 -1.300 3.020 77 HG3 ARG 12 HG1 ARG 12 -1.619 -1.092 2.162 78 HD2 ARG 12 HD2 ARG 12 -1.345 -2.056 4.418 79 HD3 ARG 12 HD1 ARG 12 -0.486 -0.527 4.187 80 HE ARG 12 HE ARG 12 -2.727 0.352 5.287 81 HH11 ARG 12 HH11 ARG 12 -0.813 -2.451 6.172 82 HH12 ARG 12 HH12 ARG 12 -1.225 -2.351 7.856 83 HH21 ARG 12 HH21 ARG 12 -3.268 0.479 7.492 84 HH22 ARG 12 HH22 ARG 12 -2.628 -0.689 8.604 85 H TYR 13 HN TYR 13 -2.290 3.660 1.436 86 HA TYR 13 HA TYR 13 -4.774 4.634 2.039 87 HB2 TYR 13 HB2 TYR 13 -2.502 5.810 1.775 88 HB3 TYR 13 HB1 TYR 13 -2.939 5.997 0.089 89 HD1 TYR 13 HD1 TYR 13 -3.591 7.077 3.515 90 HD2 TYR 13 HD2 TYR 13 -4.725 7.451 -0.544 91 HE1 TYR 13 HE1 TYR 13 -4.859 9.107 4.063 92 HE2 TYR 13 HE2 TYR 13 -5.987 9.472 -0.018 93 HH TYR 13 HH TYR 13 -5.717 11.090 2.998 94 H ASN 14 HN ASN 14 -3.438 3.849 -1.138 95 HA ASN 14 HA ASN 14 -6.125 4.305 -2.295 96 HB2 ASN 14 HB2 ASN 14 -3.445 4.378 -3.710 97 HB3 ASN 14 HB1 ASN 14 -5.014 4.664 -4.456 98 HD21 ASN 14 HD21 ASN 14 -6.140 6.574 -3.954 99 HD22 ASN 14 HD22 ASN 14 -5.318 7.957 -3.320 100 H ASN 15 HN ASN 15 -4.421 2.015 -1.040 101 HA ASN 15 HA ASN 15 -4.950 -0.007 -3.098 102 HB2 ASN 15 HB2 ASN 15 -2.423 0.771 -1.770 103 HB3 ASN 15 HB1 ASN 15 -2.626 -0.913 -2.259 104 HD21 ASN 15 HD21 ASN 15 -0.731 1.080 -3.205 105 HD22 ASN 15 HD22 ASN 15 -0.988 1.231 -4.909 106 HA HYP 16 HA HYP 16 -6.031 -1.456 1.180 107 HB2 HYP 16 HB1 HYP 16 -7.832 -0.160 1.585 108 HB3 HYP 16 HB2 HYP 16 -8.797 -1.242 0.576 109 HG HYP 16 HG HYP 16 -9.053 0.650 -0.726 110 HD22 HYP 16 HD22 HYP 16 -7.743 -0.710 -2.167 111 HD23 HYP 16 HD23 HYP 16 -6.795 0.788 -2.141 112 HD1 HYP 16 HD1 HYP 16 -6.465 1.641 -0.252 113 H HIS 17 HN HIS 17 -6.628 -2.441 -1.901 114 HA HIS 17 HA HIS 17 -7.534 -5.118 -1.047 115 HB2 HIS 17 HB2 HIS 17 -9.073 -3.808 -2.580 116 HB3 HIS 17 HB1 HIS 17 -7.825 -3.920 -3.811 117 HD1 HIS 17 HD1 HIS 17 -10.304 -6.029 -1.930 118 HD2 HIS 17 HD2 HIS 17 -7.698 -6.350 -5.153 119 HE1 HIS 17 HE1 HIS 17 -10.865 -8.214 -3.041 120 HE2 HIS 17 HE2 HIS 17 -9.182 -8.453 -4.900 121 H VAL 18 HN VAL 18 -4.855 -3.503 -1.742 122 HA VAL 18 HA VAL 18 -3.614 -4.949 -3.797 123 HB VAL 18 HB VAL 18 -3.110 -2.633 -2.831 124 HG11 VAL 18 HG11 VAL 18 -1.381 -2.515 -1.160 125 HG12 VAL 18 HG12 VAL 18 -1.348 -4.278 -1.042 126 HG13 VAL 18 HG13 VAL 18 -2.779 -3.388 -0.531 127 HG21 VAL 18 HG21 VAL 18 -0.804 -2.748 -3.585 128 HG22 VAL 18 HG22 VAL 18 -1.896 -3.622 -4.655 129 HG23 VAL 18 HG23 VAL 18 -0.876 -4.507 -3.527 130 H CYS 19 HN CYS 19 -4.377 -5.881 -0.701 131 HA CYS 19 HA CYS 19 -2.530 -8.134 -0.890 132 HB2 CYS 19 HB2 CYS 19 -2.428 -8.060 1.674 133 HB3 CYS 19 HB1 CYS 19 -1.457 -6.898 0.781 Start of MODEL 19 1 H1 ILE 1 HT1 ILE 1 6.573 5.281 -4.461 2 H2 ILE 1 HT2 ILE 1 5.189 5.149 -5.423 3 H3 ILE 1 HT3 ILE 1 6.433 4.016 -5.572 4 HA ILE 1 HA ILE 1 4.760 4.427 -3.170 5 HB ILE 1 HB ILE 1 3.857 2.180 -3.660 6 HG12 ILE 1 HG12 ILE 1 5.233 2.481 -6.340 7 HG13 ILE 1 HG11 ILE 1 5.765 1.402 -5.056 8 HG21 ILE 1 HG21 ILE 1 2.585 4.136 -4.312 9 HG22 ILE 1 HG22 ILE 1 2.372 2.851 -5.500 10 HG23 ILE 1 HG23 ILE 1 3.441 4.207 -5.853 11 HD11 ILE 1 HD11 ILE 1 4.524 0.214 -6.776 12 HD12 ILE 1 HD12 ILE 1 3.125 1.251 -6.491 13 HD13 ILE 1 HD13 ILE 1 3.686 0.157 -5.226 14 H ARG 2 HN ARG 2 5.094 2.741 -1.566 15 HA ARG 2 HA ARG 2 7.885 2.119 -1.263 16 HB2 ARG 2 HB2 ARG 2 5.466 1.660 0.458 17 HB3 ARG 2 HB1 ARG 2 7.040 1.013 0.878 18 HG2 ARG 2 HG2 ARG 2 6.653 3.936 0.346 19 HG3 ARG 2 HG1 ARG 2 6.343 3.231 1.933 20 HD2 ARG 2 HD2 ARG 2 8.596 4.115 1.848 21 HD3 ARG 2 HD1 ARG 2 8.644 2.360 1.973 22 HE ARG 2 HE ARG 2 9.013 3.769 -0.592 23 HH11 ARG 2 HH11 ARG 2 10.035 1.354 1.758 24 HH12 ARG 2 HH12 ARG 2 11.342 0.781 0.768 25 HH21 ARG 2 HH21 ARG 2 10.721 2.988 -1.883 26 HH22 ARG 2 HH22 ARG 2 11.735 1.709 -1.289 27 H ASP 3 HN ASP 3 8.772 0.102 -1.057 28 HA ASP 3 HA ASP 3 7.493 -2.011 -2.539 29 HB2 ASP 3 HB2 ASP 3 9.910 -1.556 -2.847 30 HB3 ASP 3 HB1 ASP 3 10.183 -1.958 -1.157 31 H GLU 4 HN GLU 4 7.286 -0.876 0.329 32 HA GLU 4 HA GLU 4 6.799 -3.361 1.776 33 HB2 GLU 4 HB2 GLU 4 6.949 -0.503 2.705 34 HB3 GLU 4 HB1 GLU 4 6.739 -1.896 3.727 35 HG2 GLU 4 HG2 GLU 4 8.937 -2.654 3.328 36 HG3 GLU 4 HG1 GLU 4 9.143 -1.530 1.984 37 H CYS 5 HN CYS 5 5.199 -2.170 -0.375 38 HA CYS 5 HA CYS 5 3.214 -0.426 0.362 39 HB2 CYS 5 HB2 CYS 5 3.767 -1.083 -1.958 40 HB3 CYS 5 HB1 CYS 5 2.979 -2.633 -1.685 41 H CYS 6 HN CYS 6 3.233 -3.929 0.752 42 HA CYS 6 HA CYS 6 0.441 -4.176 1.221 43 HB2 CYS 6 HB2 CYS 6 2.048 -6.030 0.534 44 HB3 CYS 6 HB1 CYS 6 2.574 -6.069 2.212 45 H SER 7 HN SER 7 3.190 -3.447 3.205 46 HA SER 7 HA SER 7 1.610 -3.560 5.659 47 HB2 SER 7 HB2 SER 7 4.495 -3.336 4.989 48 HB3 SER 7 HB1 SER 7 3.943 -2.650 6.517 49 HG SER 7 HG SER 7 4.037 -4.636 7.228 50 H ASN 8 HN ASN 8 2.747 -1.302 3.317 51 HA ASN 8 HA ASN 8 3.207 0.758 5.254 52 HB2 ASN 8 HB2 ASN 8 4.671 0.583 3.313 53 HB3 ASN 8 HB1 ASN 8 3.301 0.824 2.233 54 HD21 ASN 8 HD21 ASN 8 5.437 2.332 4.529 55 HD22 ASN 8 HD22 ASN 8 5.069 3.963 4.089 56 HA PRO 9 HA PRO 9 -1.060 2.063 5.386 57 HB2 PRO 9 HB2 PRO 9 0.301 4.466 6.492 58 HB3 PRO 9 HB1 PRO 9 -1.071 3.569 7.149 59 HG2 PRO 9 HG2 PRO 9 1.287 3.315 8.218 60 HG3 PRO 9 HG1 PRO 9 0.336 1.848 7.896 61 HD2 PRO 9 HD2 PRO 9 2.602 3.021 6.318 62 HD3 PRO 9 HD1 PRO 9 2.306 1.350 6.793 63 H ALA 10 HN ALA 10 1.511 4.146 4.139 64 HA ALA 10 HA ALA 10 -0.303 6.011 2.935 65 HB1 ALA 10 HB1 ALA 10 2.655 5.648 2.477 66 HB2 ALA 10 HB2 ALA 10 1.919 6.701 3.687 67 HB3 ALA 10 HB3 ALA 10 1.684 7.031 1.970 68 H CYS 11 HN CYS 11 0.759 2.912 2.043 69 HA CYS 11 HA CYS 11 0.578 3.477 -0.835 70 HB2 CYS 11 HB2 CYS 11 2.425 1.946 0.230 71 HB3 CYS 11 HB1 CYS 11 1.116 0.766 0.381 72 H ARG 12 HN ARG 12 -0.460 1.596 1.801 73 HA ARG 12 HA ARG 12 -2.687 0.379 0.948 74 HB2 ARG 12 HB2 ARG 12 -1.631 1.418 3.463 75 HB3 ARG 12 HB1 ARG 12 -3.320 0.994 3.449 76 HG2 ARG 12 HG2 ARG 12 -2.919 -1.219 3.149 77 HG3 ARG 12 HG1 ARG 12 -1.390 -0.934 2.320 78 HD2 ARG 12 HD2 ARG 12 -0.226 -0.657 4.248 79 HD3 ARG 12 HD1 ARG 12 -1.650 -0.165 5.181 80 HE ARG 12 HE ARG 12 -1.688 -2.894 4.245 81 HH11 ARG 12 HH11 ARG 12 -0.870 -0.750 6.883 82 HH12 ARG 12 HH12 ARG 12 -0.856 -2.007 8.073 83 HH21 ARG 12 HH21 ARG 12 -1.681 -4.552 5.809 84 HH22 ARG 12 HH22 ARG 12 -1.318 -4.174 7.463 85 H TYR 13 HN TYR 13 -2.300 3.774 1.595 86 HA TYR 13 HA TYR 13 -4.879 4.657 1.864 87 HB2 TYR 13 HB2 TYR 13 -2.895 6.080 2.029 88 HB3 TYR 13 HB1 TYR 13 -2.630 5.904 0.303 89 HD1 TYR 13 HD1 TYR 13 -5.207 7.076 2.683 90 HD2 TYR 13 HD2 TYR 13 -3.414 7.442 -1.119 91 HE1 TYR 13 HE1 TYR 13 -6.599 9.060 2.231 92 HE2 TYR 13 HE2 TYR 13 -4.779 9.410 -1.597 93 HH TYR 13 HH TYR 13 -6.572 11.039 0.796 94 H ASN 14 HN ASN 14 -3.167 3.648 -1.047 95 HA ASN 14 HA ASN 14 -5.702 3.899 -2.548 96 HB2 ASN 14 HB2 ASN 14 -2.847 4.020 -3.542 97 HB3 ASN 14 HB1 ASN 14 -4.240 3.873 -4.603 98 HD21 ASN 14 HD21 ASN 14 -5.958 5.607 -3.094 99 HD22 ASN 14 HD22 ASN 14 -5.369 7.217 -3.324 100 H ASN 15 HN ASN 15 -4.449 1.847 -0.755 101 HA ASN 15 HA ASN 15 -4.677 -0.468 -2.511 102 HB2 ASN 15 HB2 ASN 15 -2.410 -0.297 -2.667 103 HB3 ASN 15 HB1 ASN 15 -2.300 0.565 -1.152 104 HD21 ASN 15 HD21 ASN 15 -0.617 -0.568 -0.350 105 HD22 ASN 15 HD22 ASN 15 -0.702 -2.239 0.101 106 HA HYP 16 HA HYP 16 -6.594 -1.586 1.460 107 HB2 HYP 16 HB1 HYP 16 -8.371 -0.176 1.447 108 HB3 HYP 16 HB2 HYP 16 -9.154 -1.241 0.273 109 HG HYP 16 HG HYP 16 -9.019 0.648 -1.075 110 HD22 HYP 16 HD22 HYP 16 -7.553 -0.910 -2.147 111 HD23 HYP 16 HD23 HYP 16 -6.551 0.553 -2.042 112 HD1 HYP 16 HD1 HYP 16 -6.498 1.441 -0.061 113 H HIS 17 HN HIS 17 -6.473 -2.519 -1.662 114 HA HIS 17 HA HIS 17 -6.880 -5.303 -1.082 115 HB2 HIS 17 HB2 HIS 17 -9.209 -4.451 -1.534 116 HB3 HIS 17 HB1 HIS 17 -8.682 -4.019 -3.155 117 HD1 HIS 17 HD1 HIS 17 -8.864 -5.796 -4.898 118 HD2 HIS 17 HD2 HIS 17 -9.101 -7.338 -1.043 119 HE1 HIS 17 HE1 HIS 17 -9.461 -8.223 -5.175 120 HE2 HIS 17 HE2 HIS 17 -9.498 -9.159 -2.839 121 H VAL 18 HN VAL 18 -4.735 -3.560 -1.995 122 HA VAL 18 HA VAL 18 -4.359 -4.253 -4.781 123 HB VAL 18 HB VAL 18 -2.957 -2.462 -2.850 124 HG11 VAL 18 HG11 VAL 18 -1.221 -3.643 -4.049 125 HG12 VAL 18 HG12 VAL 18 -1.283 -1.945 -4.505 126 HG13 VAL 18 HG13 VAL 18 -1.948 -3.173 -5.581 127 HG21 VAL 18 HG21 VAL 18 -4.982 -1.732 -4.154 128 HG22 VAL 18 HG22 VAL 18 -3.975 -1.830 -5.600 129 HG23 VAL 18 HG23 VAL 18 -3.549 -0.713 -4.295 130 H CYS 19 HN CYS 19 -3.223 -4.995 -1.621 131 HA CYS 19 HA CYS 19 -1.199 -6.844 -2.602 132 HB2 CYS 19 HB2 CYS 19 -0.586 -5.453 -0.685 133 HB3 CYS 19 HB1 CYS 19 -1.970 -6.057 0.219 Start of MODEL 20 1 H1 ILE 1 HT1 ILE 1 -0.509 -8.926 -3.899 2 H2 ILE 1 HT2 ILE 1 -1.340 -7.457 -3.917 3 H3 ILE 1 HT3 ILE 1 -1.883 -8.716 -2.934 4 HA ILE 1 HA ILE 1 -0.744 -6.995 -1.674 5 HB ILE 1 HB ILE 1 0.886 -8.433 -0.488 6 HG12 ILE 1 HG12 ILE 1 1.561 -9.650 -2.681 7 HG13 ILE 1 HG11 ILE 1 1.511 -10.572 -1.186 8 HG21 ILE 1 HG21 ILE 1 -1.416 -8.533 0.142 9 HG22 ILE 1 HG22 ILE 1 -0.746 -10.162 0.201 10 HG23 ILE 1 HG23 ILE 1 -1.769 -9.679 -1.149 11 HD11 ILE 1 HD11 ILE 1 -0.663 -10.534 -3.267 12 HD12 ILE 1 HD12 ILE 1 -0.620 -11.528 -1.812 13 HD13 ILE 1 HD13 ILE 1 0.565 -11.786 -3.092 14 H ARG 2 HN ARG 2 1.295 -6.021 -1.098 15 HA ARG 2 HA ARG 2 3.122 -5.830 -3.381 16 HB2 ARG 2 HB2 ARG 2 2.409 -3.715 -1.312 17 HB3 ARG 2 HB1 ARG 2 3.669 -3.539 -2.533 18 HG2 ARG 2 HG2 ARG 2 0.781 -4.053 -3.182 19 HG3 ARG 2 HG1 ARG 2 1.503 -2.446 -3.097 20 HD2 ARG 2 HD2 ARG 2 2.621 -4.600 -4.867 21 HD3 ARG 2 HD1 ARG 2 1.308 -3.555 -5.398 22 HE ARG 2 HE ARG 2 3.026 -1.716 -4.698 23 HH11 ARG 2 HH11 ARG 2 3.713 -4.736 -6.341 24 HH12 ARG 2 HH12 ARG 2 5.062 -4.094 -7.221 25 HH21 ARG 2 HH21 ARG 2 4.785 -0.864 -5.874 26 HH22 ARG 2 HH22 ARG 2 5.669 -1.890 -6.960 27 H ASP 3 HN ASP 3 5.304 -4.687 -2.362 28 HA ASP 3 HA ASP 3 6.513 -6.668 -0.682 29 HB2 ASP 3 HB2 ASP 3 7.598 -5.173 -2.506 30 HB3 ASP 3 HB1 ASP 3 7.667 -3.954 -1.242 31 H GLU 4 HN GLU 4 8.017 -4.414 0.699 32 HA GLU 4 HA GLU 4 6.596 -4.282 3.114 33 HB2 GLU 4 HB2 GLU 4 8.651 -2.333 2.069 34 HB3 GLU 4 HB1 GLU 4 8.130 -2.476 3.738 35 HG2 GLU 4 HG2 GLU 4 8.920 -4.879 3.626 36 HG3 GLU 4 HG1 GLU 4 9.702 -4.432 2.111 37 H CYS 5 HN CYS 5 6.134 -2.642 0.180 38 HA CYS 5 HA CYS 5 4.742 -0.349 1.016 39 HB2 CYS 5 HB2 CYS 5 5.462 -1.328 -1.385 40 HB3 CYS 5 HB1 CYS 5 3.777 -1.825 -1.384 41 H CYS 6 HN CYS 6 3.967 -3.697 1.159 42 HA CYS 6 HA CYS 6 1.111 -3.414 1.240 43 HB2 CYS 6 HB2 CYS 6 2.345 -5.509 0.551 44 HB3 CYS 6 HB1 CYS 6 2.776 -5.734 2.241 45 H SER 7 HN SER 7 3.735 -3.267 3.515 46 HA SER 7 HA SER 7 2.074 -3.324 5.855 47 HB2 SER 7 HB2 SER 7 4.719 -1.996 5.896 48 HB3 SER 7 HB1 SER 7 4.044 -3.193 7.000 49 HG SER 7 HG SER 7 5.837 -3.903 5.613 50 H ASN 8 HN ASN 8 3.292 -1.004 3.581 51 HA ASN 8 HA ASN 8 3.356 1.227 5.258 52 HB2 ASN 8 HB2 ASN 8 3.557 0.665 2.354 53 HB3 ASN 8 HB1 ASN 8 3.246 2.314 2.840 54 HD21 ASN 8 HD21 ASN 8 5.575 1.310 1.535 55 HD22 ASN 8 HD22 ASN 8 6.915 1.601 2.585 56 HA PRO 9 HA PRO 9 -1.111 1.906 5.496 57 HB2 PRO 9 HB2 PRO 9 0.041 4.426 6.599 58 HB3 PRO 9 HB1 PRO 9 -1.271 3.436 7.245 59 HG2 PRO 9 HG2 PRO 9 1.081 3.349 8.343 60 HG3 PRO 9 HG1 PRO 9 0.250 1.815 8.007 61 HD2 PRO 9 HD2 PRO 9 2.451 3.156 6.477 62 HD3 PRO 9 HD1 PRO 9 2.262 1.463 6.925 63 H ALA 10 HN ALA 10 1.276 4.164 4.219 64 HA ALA 10 HA ALA 10 -0.690 5.797 2.889 65 HB1 ALA 10 HB1 ALA 10 2.298 5.752 2.517 66 HB2 ALA 10 HB2 ALA 10 1.437 6.724 3.709 67 HB3 ALA 10 HB3 ALA 10 1.189 7.016 1.989 68 H CYS 11 HN CYS 11 0.621 2.776 2.180 69 HA CYS 11 HA CYS 11 0.765 3.249 -0.717 70 HB2 CYS 11 HB2 CYS 11 2.633 1.996 0.407 71 HB3 CYS 11 HB1 CYS 11 1.460 0.793 0.933 72 H ARG 12 HN ARG 12 -0.276 0.955 1.627 73 HA ARG 12 HA ARG 12 -2.503 -0.127 0.786 74 HB2 ARG 12 HB2 ARG 12 -1.645 1.028 3.354 75 HB3 ARG 12 HB1 ARG 12 -3.239 0.346 3.224 76 HG2 ARG 12 HG2 ARG 12 -2.447 -1.805 2.905 77 HG3 ARG 12 HG1 ARG 12 -0.877 -1.228 2.330 78 HD2 ARG 12 HD2 ARG 12 -0.685 -2.154 4.570 79 HD3 ARG 12 HD1 ARG 12 -0.356 -0.417 4.551 80 HE ARG 12 HE ARG 12 -3.096 -1.051 5.139 81 HH11 ARG 12 HH11 ARG 12 0.087 -0.710 6.591 82 HH12 ARG 12 HH12 ARG 12 -0.550 -0.358 8.166 83 HH21 ARG 12 HH21 ARG 12 -3.912 -0.605 7.190 84 HH22 ARG 12 HH22 ARG 12 -2.825 -0.294 8.508 85 H TYR 13 HN TYR 13 -2.162 3.203 1.794 86 HA TYR 13 HA TYR 13 -4.713 4.037 2.192 87 HB2 TYR 13 HB2 TYR 13 -2.631 5.342 2.535 88 HB3 TYR 13 HB1 TYR 13 -2.564 5.602 0.800 89 HD1 TYR 13 HD1 TYR 13 -4.988 6.006 3.571 90 HD2 TYR 13 HD2 TYR 13 -3.337 7.538 0.000 91 HE1 TYR 13 HE1 TYR 13 -6.391 8.016 3.795 92 HE2 TYR 13 HE2 TYR 13 -4.711 9.542 0.202 93 HH TYR 13 HH TYR 13 -6.307 10.413 3.014 94 H ASN 14 HN ASN 14 -3.143 3.462 -0.921 95 HA ASN 14 HA ASN 14 -5.660 4.330 -2.211 96 HB2 ASN 14 HB2 ASN 14 -2.845 4.381 -3.327 97 HB3 ASN 14 HB1 ASN 14 -4.293 4.678 -4.282 98 HD21 ASN 14 HD21 ASN 14 -2.086 5.947 -1.976 99 HD22 ASN 14 HD22 ASN 14 -2.728 7.552 -1.924 100 H ASN 15 HN ASN 15 -4.290 1.804 -1.063 101 HA ASN 15 HA ASN 15 -4.910 0.007 -3.284 102 HB2 ASN 15 HB2 ASN 15 -2.370 0.326 -1.764 103 HB3 ASN 15 HB1 ASN 15 -2.725 -1.190 -2.591 104 HD21 ASN 15 HD21 ASN 15 -1.650 2.040 -2.865 105 HD22 ASN 15 HD22 ASN 15 -1.357 2.045 -4.572 106 HA HYP 16 HA HYP 16 -6.117 -1.423 1.011 107 HB2 HYP 16 HB1 HYP 16 -7.753 0.024 1.543 108 HB3 HYP 16 HB2 HYP 16 -8.859 -0.859 0.489 109 HG HYP 16 HG HYP 16 -8.886 1.150 -0.662 110 HD22 HYP 16 HD22 HYP 16 -7.840 -0.295 -2.232 111 HD23 HYP 16 HD23 HYP 16 -6.678 1.040 -2.162 112 HD1 HYP 16 HD1 HYP 16 -6.161 1.693 -0.217 113 H HIS 17 HN HIS 17 -7.159 -2.218 -2.063 114 HA HIS 17 HA HIS 17 -8.248 -4.795 -1.148 115 HB2 HIS 17 HB2 HIS 17 -9.619 -3.333 -2.740 116 HB3 HIS 17 HB1 HIS 17 -8.416 -3.714 -3.966 117 HD1 HIS 17 HD1 HIS 17 -9.165 -5.559 -5.436 118 HD2 HIS 17 HD2 HIS 17 -10.605 -5.991 -1.559 119 HE1 HIS 17 HE1 HIS 17 -10.545 -7.659 -5.456 120 HE2 HIS 17 HE2 HIS 17 -11.303 -7.966 -3.073 121 H VAL 18 HN VAL 18 -5.436 -3.541 -1.732 122 HA VAL 18 HA VAL 18 -4.314 -5.485 -3.523 123 HB VAL 18 HB VAL 18 -3.264 -3.116 -2.035 124 HG11 VAL 18 HG11 VAL 18 -1.635 -5.045 -3.650 125 HG12 VAL 18 HG12 VAL 18 -1.553 -4.809 -1.909 126 HG13 VAL 18 HG13 VAL 18 -1.076 -3.510 -2.996 127 HG21 VAL 18 HG21 VAL 18 -4.503 -2.738 -4.123 128 HG22 VAL 18 HG22 VAL 18 -3.332 -3.742 -4.981 129 HG23 VAL 18 HG23 VAL 18 -2.820 -2.225 -4.231 130 H CYS 19 HN CYS 19 -4.352 -4.666 -0.153 131 HA CYS 19 HA CYS 19 -2.982 -7.191 0.462 132 HB2 CYS 19 HB2 CYS 19 -2.925 -4.589 2.004 133 HB3 CYS 19 HB1 CYS 19 -2.229 -6.101 2.576
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