NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645695 | 6nug | 30566 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 1.396 -0.068 -2.061 3 HB2 CYS 1 HB2 CYS 1 2.336 2.102 -0.914 4 HB3 CYS 1 HB3 CYS 1 3.837 1.184 -0.860 5 H ASP 2 H ASP 2 3.494 -0.968 0.634 6 HA ASP 2 HA ASP 2 4.784 -2.971 -1.093 7 HB2 ASP 2 HB2 ASP 2 6.122 -1.177 0.252 8 HB3 ASP 2 HB3 ASP 2 5.802 -2.227 1.630 9 H MET 3 H MET 3 5.266 -5.073 -0.113 10 HA MET 3 HA MET 3 2.982 -6.275 0.981 11 HB2 MET 3 HB2 MET 3 5.796 -7.132 0.500 12 HB3 MET 3 HB3 MET 3 4.797 -8.130 1.547 13 HG2 MET 3 HG2 MET 3 4.421 -9.116 -0.475 14 HG3 MET 3 HG3 MET 3 3.087 -7.965 -0.417 15 HE1 MET 3 HE1 MET 3 3.081 -6.841 -3.671 16 HE2 MET 3 HE2 MET 3 3.633 -8.512 -3.780 17 HE3 MET 3 HE3 MET 3 2.505 -8.037 -2.511 18 H GLU 4 H GLU 4 6.074 -5.393 2.500 19 HA GLU 4 HA GLU 4 5.187 -6.204 5.112 20 HB2 GLU 4 HB2 GLU 4 7.558 -6.328 4.463 21 HB3 GLU 4 HB3 GLU 4 7.600 -4.579 4.290 22 HG2 GLU 4 HG2 GLU 4 8.554 -5.534 6.423 23 HG3 GLU 4 HG3 GLU 4 7.379 -4.231 6.596 24 H VAL 5 H VAL 5 5.860 -3.084 3.540 25 HA VAL 5 HA VAL 5 4.631 -1.670 5.777 26 HB VAL 5 HB VAL 5 5.915 -0.548 3.282 27 HG11 VAL 5 HG11 VAL 5 4.475 0.648 5.524 28 HG12 VAL 5 HG12 VAL 5 6.063 1.361 5.241 29 HG13 VAL 5 HG13 VAL 5 4.871 1.319 3.942 30 HG21 VAL 5 HG21 VAL 5 7.004 -1.311 5.953 31 HG22 VAL 5 HG22 VAL 5 7.708 -1.518 4.349 32 HG23 VAL 5 HG23 VAL 5 7.690 0.075 5.105 33 H SER 6 H SER 6 2.458 -1.808 5.688 34 HA SER 6 HA SER 6 1.090 -1.448 3.134 35 HB2 SER 6 HB2 SER 6 -0.969 -1.946 4.585 36 HB3 SER 6 HB3 SER 6 0.186 -3.259 4.356 37 HG SER 6 HG SER 6 0.956 -2.936 6.398 38 H CYS 7 H CYS 7 -0.506 0.139 2.802 39 HA CYS 7 HA CYS 7 -0.306 2.453 4.616 40 HB2 CYS 7 HB2 CYS 7 -0.905 2.579 1.659 41 HB3 CYS 7 HB3 CYS 7 -0.524 3.919 2.735 42 HA PRO 8 HA PRO 8 -4.719 0.985 4.551 43 HB2 PRO 8 HB2 PRO 8 -5.058 1.138 7.240 44 HB3 PRO 8 HB3 PRO 8 -4.409 -0.295 6.434 45 HG2 PRO 8 HG2 PRO 8 -2.953 1.904 7.849 46 HG3 PRO 8 HG3 PRO 8 -2.677 0.154 7.918 47 HD2 PRO 8 HD2 PRO 8 -1.159 1.811 6.407 48 HD3 PRO 8 HD3 PRO 8 -1.504 0.135 5.934 49 H ASP 9 H ASP 9 -3.099 3.606 6.274 50 HA ASP 9 HA ASP 9 -5.251 5.184 6.980 51 HB2 ASP 9 HB2 ASP 9 -2.661 6.288 5.889 52 HB3 ASP 9 HB3 ASP 9 -3.737 7.030 7.071 53 H GLY 10 H GLY 10 -3.826 4.675 3.831 54 HA2 GLY 10 HA2 GLY 10 -5.238 4.971 1.884 55 HA3 GLY 10 HA3 GLY 10 -5.955 6.363 2.682 56 H TYR 11 H TYR 11 -2.522 5.563 2.399 57 HA TYR 11 HA TYR 11 -2.041 8.200 1.266 58 HB2 TYR 11 HB2 TYR 11 -0.324 6.080 2.501 59 HB3 TYR 11 HB3 TYR 11 0.419 7.295 1.466 60 HD1 TYR 11 HD1 TYR 11 -2.272 7.453 4.059 61 HD2 TYR 11 HD2 TYR 11 1.526 8.856 2.752 62 HE1 TYR 11 HE1 TYR 11 -2.204 9.018 5.956 63 HE2 TYR 11 HE2 TYR 11 1.606 10.423 4.646 64 HH TYR 11 HH TYR 11 0.129 11.524 6.187 65 H THR 12 H THR 12 -0.787 8.527 -0.639 66 HA THR 12 HA THR 12 -1.345 6.533 -2.684 67 HB THR 12 HB THR 12 -1.907 8.838 -3.213 68 HG1 THR 12 HG1 THR 12 -1.037 7.406 -4.880 69 HG21 THR 12 HG21 THR 12 0.219 10.335 -3.664 70 HG22 THR 12 HG22 THR 12 -0.522 10.267 -2.065 71 HG23 THR 12 HG23 THR 12 0.923 9.316 -2.408 72 H CYS 13 H CYS 13 0.250 5.763 -4.153 73 HA CYS 13 HA CYS 13 2.770 5.201 -2.876 74 HB2 CYS 13 HB2 CYS 13 1.539 4.369 -5.500 75 HB3 CYS 13 HB3 CYS 13 3.183 3.926 -5.053 76 H CYS 14 H CYS 14 4.599 6.295 -3.119 77 HA CYS 14 HA CYS 14 5.176 7.685 -5.604 78 HB2 CYS 14 HB2 CYS 14 5.560 9.833 -4.599 79 HB3 CYS 14 HB3 CYS 14 3.931 9.321 -4.171 80 H ARG 15 H ARG 15 7.421 8.795 -5.377 81 HA ARG 15 HA ARG 15 9.193 6.825 -4.123 82 HB2 ARG 15 HB2 ARG 15 10.933 7.763 -5.620 83 HB3 ARG 15 HB3 ARG 15 9.548 7.124 -6.495 84 HG2 ARG 15 HG2 ARG 15 8.724 9.306 -6.948 85 HG3 ARG 15 HG3 ARG 15 9.893 10.040 -5.848 86 HD2 ARG 15 HD2 ARG 15 10.876 10.422 -7.898 87 HD3 ARG 15 HD3 ARG 15 11.650 8.917 -7.406 88 HE ARG 15 HE ARG 15 10.651 7.880 -9.177 89 HH11 ARG 15 HH11 ARG 15 8.977 10.864 -8.533 90 HH12 ARG 15 HH12 ARG 15 7.965 10.750 -9.935 91 HH21 ARG 15 HH21 ARG 15 9.323 7.718 -11.025 92 HH22 ARG 15 HH22 ARG 15 8.162 8.960 -11.351 93 H LEU 16 H LEU 16 10.627 7.351 -2.563 94 HA LEU 16 HA LEU 16 10.387 9.998 -1.379 95 HB2 LEU 16 HB2 LEU 16 11.463 7.364 -0.484 96 HB3 LEU 16 HB3 LEU 16 11.991 8.834 0.333 97 HG LEU 16 HG LEU 16 10.166 7.715 1.524 98 HD11 LEU 16 HD11 LEU 16 10.485 10.266 1.381 99 HD12 LEU 16 HD12 LEU 16 9.040 10.238 0.370 100 HD13 LEU 16 HD13 LEU 16 8.968 9.640 2.027 101 HD21 LEU 16 HD21 LEU 16 8.339 8.425 -0.745 102 HD22 LEU 16 HD22 LEU 16 9.140 6.856 -0.669 103 HD23 LEU 16 HD23 LEU 16 8.047 7.351 0.623 104 H GLN 17 H GLN 17 12.103 11.399 -1.021 105 HA GLN 17 HA GLN 17 13.999 11.690 -3.004 106 HB2 GLN 17 HB2 GLN 17 14.223 12.660 -0.150 107 HB3 GLN 17 HB3 GLN 17 15.107 13.298 -1.530 108 HG2 GLN 17 HG2 GLN 17 12.113 13.362 -1.232 109 HG3 GLN 17 HG3 GLN 17 13.196 14.699 -0.848 110 HE21 GLN 17 HE21 GLN 17 11.290 13.315 -3.195 111 HE22 GLN 17 HE22 GLN 17 11.903 14.157 -4.573 112 H SER 18 H SER 18 14.387 10.199 0.192 113 HA SER 18 HA SER 18 17.097 9.679 0.148 114 HB2 SER 18 HB2 SER 18 16.020 9.189 2.169 115 HB3 SER 18 HB3 SER 18 14.776 8.219 1.381 116 HG SER 18 HG SER 18 16.436 7.009 2.524 117 H GLY 19 H GLY 19 14.481 7.939 -1.433 118 HA2 GLY 19 HA2 GLY 19 15.014 6.858 -3.559 119 HA3 GLY 19 HA3 GLY 19 16.523 6.327 -2.831 120 H ALA 20 H ALA 20 13.166 6.206 -1.658 121 HA ALA 20 HA ALA 20 13.361 3.272 -1.627 122 HB1 ALA 20 HB1 ALA 20 13.706 4.545 0.644 123 HB2 ALA 20 HB2 ALA 20 11.946 4.644 0.606 124 HB3 ALA 20 HB3 ALA 20 12.741 3.070 0.570 125 H TRP 21 H TRP 21 11.299 2.169 -1.595 126 HA TRP 21 HA TRP 21 9.283 3.662 -3.091 127 HB2 TRP 21 HB2 TRP 21 9.722 0.713 -2.619 128 HB3 TRP 21 HB3 TRP 21 8.285 1.346 -3.418 129 HD1 TRP 21 HD1 TRP 21 11.605 0.049 -4.210 130 HE1 TRP 21 HE1 TRP 21 12.292 0.654 -6.616 131 HE3 TRP 21 HE3 TRP 21 8.070 3.610 -5.192 132 HZ2 TRP 21 HZ2 TRP 21 11.447 2.409 -8.659 133 HZ3 TRP 21 HZ3 TRP 21 8.079 4.704 -7.396 134 HH2 TRP 21 HH2 TRP 21 9.734 4.115 -9.092 135 H GLY 22 H GLY 22 8.156 4.830 -1.575 136 HA2 GLY 22 HA2 GLY 22 6.617 3.217 0.360 137 HA3 GLY 22 HA3 GLY 22 7.348 4.744 0.831 138 H CYS 23 H CYS 23 4.980 5.041 1.422 139 HA CYS 23 HA CYS 23 3.567 6.207 -0.887 140 HB2 CYS 23 HB2 CYS 23 1.444 5.674 0.285 141 HB3 CYS 23 HB3 CYS 23 2.366 4.237 -0.144 142 H CYS 24 H CYS 24 3.077 8.301 -0.740 143 HA CYS 24 HA CYS 24 3.305 9.592 1.900 144 HB2 CYS 24 HB2 CYS 24 3.929 11.659 0.610 145 HB3 CYS 24 HB3 CYS 24 5.107 10.354 0.518 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.737 1.993 0.028 2 HA CYS 1 HA CYS 1 0.754 0.079 -1.534 3 HB2 CYS 1 HB2 CYS 1 1.807 1.227 -3.517 4 HB3 CYS 1 HB3 CYS 1 0.951 2.294 -2.409 5 H ASP 2 H ASP 2 2.674 -1.253 0.045 6 HA ASP 2 HA ASP 2 3.996 -2.791 -2.026 7 HB2 ASP 2 HB2 ASP 2 5.519 -1.344 0.140 8 HB3 ASP 2 HB3 ASP 2 6.179 -2.734 -0.717 9 H MET 3 H MET 3 5.220 -4.695 -0.937 10 HA MET 3 HA MET 3 3.333 -6.138 0.593 11 HB2 MET 3 HB2 MET 3 5.317 -6.912 -0.990 12 HB3 MET 3 HB3 MET 3 6.192 -6.985 0.534 13 HG2 MET 3 HG2 MET 3 4.362 -8.448 1.411 14 HG3 MET 3 HG3 MET 3 3.709 -8.495 -0.225 15 HE1 MET 3 HE1 MET 3 4.151 -11.335 -0.838 16 HE2 MET 3 HE2 MET 3 4.176 -9.885 -1.842 17 HE3 MET 3 HE3 MET 3 5.461 -11.083 -1.992 18 H GLU 4 H GLU 4 6.351 -4.499 1.434 19 HA GLU 4 HA GLU 4 6.047 -5.232 4.235 20 HB2 GLU 4 HB2 GLU 4 8.166 -3.543 2.895 21 HB3 GLU 4 HB3 GLU 4 8.205 -4.124 4.553 22 HG2 GLU 4 HG2 GLU 4 8.562 -6.331 3.902 23 HG3 GLU 4 HG3 GLU 4 8.026 -6.027 2.251 24 H VAL 5 H VAL 5 6.067 -2.317 2.218 25 HA VAL 5 HA VAL 5 5.149 -0.729 4.502 26 HB VAL 5 HB VAL 5 5.998 0.178 1.748 27 HG11 VAL 5 HG11 VAL 5 5.394 1.777 4.233 28 HG12 VAL 5 HG12 VAL 5 6.000 2.425 2.709 29 HG13 VAL 5 HG13 VAL 5 4.394 1.700 2.783 30 HG21 VAL 5 HG21 VAL 5 8.107 0.200 2.461 31 HG22 VAL 5 HG22 VAL 5 7.659 1.034 3.949 32 HG23 VAL 5 HG23 VAL 5 7.570 -0.726 3.862 33 H SER 6 H SER 6 3.002 -1.240 4.709 34 HA SER 6 HA SER 6 1.276 -0.977 2.358 35 HB2 SER 6 HB2 SER 6 0.528 -1.918 5.134 36 HB3 SER 6 HB3 SER 6 -0.435 -2.074 3.665 37 HG SER 6 HG SER 6 1.014 -3.913 4.508 38 H CYS 7 H CYS 7 -0.484 0.429 2.298 39 HA CYS 7 HA CYS 7 -0.514 2.522 4.370 40 HB2 CYS 7 HB2 CYS 7 -0.392 2.762 1.396 41 HB3 CYS 7 HB3 CYS 7 -1.303 3.971 2.296 42 HA PRO 8 HA PRO 8 -4.735 0.641 3.903 43 HB2 PRO 8 HB2 PRO 8 -5.190 0.427 6.571 44 HB3 PRO 8 HB3 PRO 8 -4.357 -0.821 5.635 45 HG2 PRO 8 HG2 PRO 8 -3.206 1.330 7.372 46 HG3 PRO 8 HG3 PRO 8 -2.741 -0.377 7.248 47 HD2 PRO 8 HD2 PRO 8 -1.360 1.602 6.021 48 HD3 PRO 8 HD3 PRO 8 -1.500 -0.030 5.337 49 H ASP 9 H ASP 9 -3.480 3.185 6.005 50 HA ASP 9 HA ASP 9 -5.819 4.430 6.779 51 HB2 ASP 9 HB2 ASP 9 -3.175 5.703 6.044 52 HB3 ASP 9 HB3 ASP 9 -4.471 6.517 6.917 53 H GLY 10 H GLY 10 -4.226 4.465 3.671 54 HA2 GLY 10 HA2 GLY 10 -5.609 4.845 1.709 55 HA3 GLY 10 HA3 GLY 10 -6.471 6.071 2.627 56 H TYR 11 H TYR 11 -2.973 5.604 2.404 57 HA TYR 11 HA TYR 11 -2.703 8.381 1.566 58 HB2 TYR 11 HB2 TYR 11 -0.803 6.315 2.635 59 HB3 TYR 11 HB3 TYR 11 -0.192 7.765 1.846 60 HD1 TYR 11 HD1 TYR 11 0.347 9.537 3.213 61 HD2 TYR 11 HD2 TYR 11 -2.709 6.853 4.461 62 HE1 TYR 11 HE1 TYR 11 0.120 10.785 5.320 63 HE2 TYR 11 HE2 TYR 11 -2.945 8.094 6.572 64 HH TYR 11 HH TYR 11 -0.939 10.946 7.260 65 H THR 12 H THR 12 -1.058 8.899 -0.117 66 HA THR 12 HA THR 12 -1.537 7.232 -2.456 67 HB THR 12 HB THR 12 0.004 9.814 -2.476 68 HG1 THR 12 HG1 THR 12 -2.802 9.707 -2.827 69 HG21 THR 12 HG21 THR 12 -1.294 8.044 -4.442 70 HG22 THR 12 HG22 THR 12 -1.556 9.770 -4.691 71 HG23 THR 12 HG23 THR 12 0.085 9.127 -4.628 72 H CYS 13 H CYS 13 0.147 6.539 -3.861 73 HA CYS 13 HA CYS 13 2.549 5.763 -2.423 74 HB2 CYS 13 HB2 CYS 13 1.157 4.212 -3.912 75 HB3 CYS 13 HB3 CYS 13 1.872 5.065 -5.276 76 H CYS 14 H CYS 14 4.450 6.745 -2.605 77 HA CYS 14 HA CYS 14 5.139 8.179 -5.046 78 HB2 CYS 14 HB2 CYS 14 5.655 10.247 -3.959 79 HB3 CYS 14 HB3 CYS 14 4.012 9.815 -3.499 80 H ARG 15 H ARG 15 7.441 8.902 -5.016 81 HA ARG 15 HA ARG 15 9.062 6.885 -3.638 82 HB2 ARG 15 HB2 ARG 15 9.757 8.663 -5.984 83 HB3 ARG 15 HB3 ARG 15 10.792 7.414 -5.304 84 HG2 ARG 15 HG2 ARG 15 9.896 6.301 -7.083 85 HG3 ARG 15 HG3 ARG 15 8.743 5.867 -5.820 86 HD2 ARG 15 HD2 ARG 15 7.096 7.222 -6.668 87 HD3 ARG 15 HD3 ARG 15 8.245 8.323 -7.427 88 HE ARG 15 HE ARG 15 8.077 7.079 -9.325 89 HH11 ARG 15 HH11 ARG 15 7.116 5.103 -6.625 90 HH12 ARG 15 HH12 ARG 15 6.656 3.753 -7.609 91 HH21 ARG 15 HH21 ARG 15 7.475 5.308 -10.631 92 HH22 ARG 15 HH22 ARG 15 6.862 3.871 -9.888 93 H LEU 16 H LEU 16 10.828 7.420 -2.388 94 HA LEU 16 HA LEU 16 10.827 10.145 -1.352 95 HB2 LEU 16 HB2 LEU 16 12.155 7.613 -0.405 96 HB3 LEU 16 HB3 LEU 16 12.360 9.180 0.376 97 HG LEU 16 HG LEU 16 9.678 7.849 0.060 98 HD11 LEU 16 HD11 LEU 16 11.323 7.814 2.568 99 HD12 LEU 16 HD12 LEU 16 9.877 6.883 2.179 100 HD13 LEU 16 HD13 LEU 16 11.406 6.510 1.383 101 HD21 LEU 16 HD21 LEU 16 10.704 10.322 1.288 102 HD22 LEU 16 HD22 LEU 16 9.106 9.950 0.640 103 HD23 LEU 16 HD23 LEU 16 9.550 9.407 2.258 104 H GLN 17 H GLN 17 12.558 11.522 -1.421 105 HA GLN 17 HA GLN 17 14.271 11.477 -3.585 106 HB2 GLN 17 HB2 GLN 17 13.814 13.508 -2.324 107 HB3 GLN 17 HB3 GLN 17 14.652 12.856 -0.922 108 HG2 GLN 17 HG2 GLN 17 16.752 12.902 -2.097 109 HG3 GLN 17 HG3 GLN 17 15.948 13.414 -3.580 110 HE21 GLN 17 HE21 GLN 17 15.788 14.446 -0.186 111 HE22 GLN 17 HE22 GLN 17 16.083 16.118 -0.504 112 H SER 18 H SER 18 14.841 10.329 -0.290 113 HA SER 18 HA SER 18 17.553 9.783 -0.440 114 HB2 SER 18 HB2 SER 18 17.272 8.430 1.462 115 HB3 SER 18 HB3 SER 18 15.936 9.575 1.565 116 HG SER 18 HG SER 18 14.540 8.014 0.897 117 H GLY 19 H GLY 19 14.820 7.923 -1.641 118 HA2 GLY 19 HA2 GLY 19 15.210 6.602 -3.663 119 HA3 GLY 19 HA3 GLY 19 16.747 6.118 -2.963 120 H ALA 20 H ALA 20 13.432 6.201 -1.666 121 HA ALA 20 HA ALA 20 13.467 3.290 -1.430 122 HB1 ALA 20 HB1 ALA 20 13.624 5.176 0.829 123 HB2 ALA 20 HB2 ALA 20 12.454 3.867 0.999 124 HB3 ALA 20 HB3 ALA 20 14.154 3.498 0.708 125 H TRP 21 H TRP 21 11.261 2.605 -0.355 126 HA TRP 21 HA TRP 21 9.192 3.926 -1.935 127 HB2 TRP 21 HB2 TRP 21 8.977 1.360 -0.352 128 HB3 TRP 21 HB3 TRP 21 7.873 1.940 -1.596 129 HD1 TRP 21 HD1 TRP 21 11.186 0.141 -1.137 130 HE1 TRP 21 HE1 TRP 21 11.975 -0.760 -3.415 131 HE3 TRP 21 HE3 TRP 21 7.762 2.447 -4.151 132 HZ2 TRP 21 HZ2 TRP 21 11.242 -0.524 -6.131 133 HZ3 TRP 21 HZ3 TRP 21 7.875 2.057 -6.578 134 HH2 TRP 21 HH2 TRP 21 9.580 0.602 -7.545 135 H GLY 22 H GLY 22 7.400 4.898 -1.090 136 HA2 GLY 22 HA2 GLY 22 6.681 4.668 1.677 137 HA3 GLY 22 HA3 GLY 22 7.477 6.193 1.321 138 H CYS 23 H CYS 23 5.153 6.677 2.227 139 HA CYS 23 HA CYS 23 3.315 6.912 -0.063 140 HB2 CYS 23 HB2 CYS 23 2.898 6.274 2.776 141 HB3 CYS 23 HB3 CYS 23 1.780 7.474 2.135 142 H CYS 24 H CYS 24 1.962 8.874 -0.092 143 HA CYS 24 HA CYS 24 3.229 11.190 1.193 144 HB2 CYS 24 HB2 CYS 24 2.775 10.735 -1.732 145 HB3 CYS 24 HB3 CYS 24 2.680 12.372 -1.089 Start of MODEL 3 1 H1 CYS 1 H CYS 1 5.011 0.026 -4.881 2 HA CYS 1 HA CYS 1 5.577 -0.127 -2.015 3 HB2 CYS 1 HB2 CYS 1 2.774 -0.051 -3.152 4 HB3 CYS 1 HB3 CYS 1 3.197 -0.302 -1.462 5 H ASP 2 H ASP 2 4.597 -2.151 -1.056 6 HA ASP 2 HA ASP 2 4.056 -4.305 -2.907 7 HB2 ASP 2 HB2 ASP 2 5.930 -5.707 -1.871 8 HB3 ASP 2 HB3 ASP 2 6.405 -4.483 -3.044 9 H MET 3 H MET 3 4.195 -6.479 -1.418 10 HA MET 3 HA MET 3 2.031 -6.292 0.338 11 HB2 MET 3 HB2 MET 3 4.060 -8.373 -0.298 12 HB3 MET 3 HB3 MET 3 3.118 -8.583 1.171 13 HG2 MET 3 HG2 MET 3 1.965 -9.763 -0.486 14 HG3 MET 3 HG3 MET 3 1.061 -8.267 -0.263 15 HE1 MET 3 HE1 MET 3 0.504 -10.062 -2.341 16 HE2 MET 3 HE2 MET 3 0.628 -9.315 -3.934 17 HE3 MET 3 HE3 MET 3 1.853 -10.467 -3.403 18 H GLU 4 H GLU 4 5.501 -6.638 1.065 19 HA GLU 4 HA GLU 4 5.374 -6.676 3.822 20 HB2 GLU 4 HB2 GLU 4 7.407 -6.892 2.229 21 HB3 GLU 4 HB3 GLU 4 7.527 -5.146 2.391 22 HG2 GLU 4 HG2 GLU 4 9.006 -6.051 3.974 23 HG3 GLU 4 HG3 GLU 4 7.600 -5.497 4.883 24 H VAL 5 H VAL 5 6.197 -3.758 1.941 25 HA VAL 5 HA VAL 5 4.973 -2.148 4.081 26 HB VAL 5 HB VAL 5 6.987 -1.216 2.033 27 HG11 VAL 5 HG11 VAL 5 6.483 0.814 2.775 28 HG12 VAL 5 HG12 VAL 5 5.328 0.139 3.925 29 HG13 VAL 5 HG13 VAL 5 7.019 0.335 4.386 30 HG21 VAL 5 HG21 VAL 5 7.421 -2.098 4.886 31 HG22 VAL 5 HG22 VAL 5 8.017 -2.902 3.434 32 HG23 VAL 5 HG23 VAL 5 8.629 -1.308 3.872 33 H SER 6 H SER 6 3.164 -1.087 3.634 34 HA SER 6 HA SER 6 2.633 -0.222 0.888 35 HB2 SER 6 HB2 SER 6 0.531 -1.235 0.735 36 HB3 SER 6 HB3 SER 6 1.507 -2.485 1.505 37 HG SER 6 HG SER 6 -0.713 -1.441 2.408 38 H CYS 7 H CYS 7 0.165 0.847 1.163 39 HA CYS 7 HA CYS 7 0.545 2.869 3.273 40 HB2 CYS 7 HB2 CYS 7 -0.779 3.165 0.568 41 HB3 CYS 7 HB3 CYS 7 -0.675 4.429 1.789 42 HA PRO 8 HA PRO 8 -3.391 0.590 4.210 43 HB2 PRO 8 HB2 PRO 8 -2.909 0.380 6.873 44 HB3 PRO 8 HB3 PRO 8 -2.320 -0.799 5.695 45 HG2 PRO 8 HG2 PRO 8 -0.867 1.480 6.981 46 HG3 PRO 8 HG3 PRO 8 -0.310 -0.176 6.684 47 HD2 PRO 8 HD2 PRO 8 0.389 1.903 5.096 48 HD3 PRO 8 HD3 PRO 8 0.185 0.253 4.474 49 H ASP 9 H ASP 9 -1.756 3.271 5.827 50 HA ASP 9 HA ASP 9 -3.819 4.302 7.344 51 HB2 ASP 9 HB2 ASP 9 -1.556 5.648 5.883 52 HB3 ASP 9 HB3 ASP 9 -2.693 6.563 6.869 53 H GLY 10 H GLY 10 -3.334 4.448 3.889 54 HA2 GLY 10 HA2 GLY 10 -5.308 4.675 2.490 55 HA3 GLY 10 HA3 GLY 10 -5.933 5.827 3.661 56 H TYR 11 H TYR 11 -2.672 5.681 2.300 57 HA TYR 11 HA TYR 11 -3.146 8.344 1.132 58 HB2 TYR 11 HB2 TYR 11 -0.738 7.153 2.475 59 HB3 TYR 11 HB3 TYR 11 -0.557 8.481 1.335 60 HD1 TYR 11 HD1 TYR 11 -2.736 10.256 1.885 61 HD2 TYR 11 HD2 TYR 11 -0.437 7.947 4.621 62 HE1 TYR 11 HE1 TYR 11 -3.256 11.866 3.671 63 HE2 TYR 11 HE2 TYR 11 -0.952 9.550 6.415 64 HH TYR 11 HH TYR 11 -2.397 11.256 7.001 65 H THR 12 H THR 12 -1.238 8.755 -0.567 66 HA THR 12 HA THR 12 -1.635 6.710 -2.603 67 HB THR 12 HB THR 12 -0.195 9.335 -2.966 68 HG1 THR 12 HG1 THR 12 -2.985 8.804 -3.243 69 HG21 THR 12 HG21 THR 12 0.118 8.421 -4.991 70 HG22 THR 12 HG22 THR 12 -1.069 7.150 -4.697 71 HG23 THR 12 HG23 THR 12 -1.598 8.737 -5.254 72 H CYS 13 H CYS 13 0.061 5.751 -3.776 73 HA CYS 13 HA CYS 13 2.435 5.269 -2.203 74 HB2 CYS 13 HB2 CYS 13 1.190 4.068 -4.629 75 HB3 CYS 13 HB3 CYS 13 2.923 3.848 -4.404 76 H CYS 14 H CYS 14 3.928 6.837 -2.248 77 HA CYS 14 HA CYS 14 4.771 7.848 -4.885 78 HB2 CYS 14 HB2 CYS 14 5.032 9.339 -2.271 79 HB3 CYS 14 HB3 CYS 14 5.311 9.963 -3.894 80 H ARG 15 H ARG 15 7.070 8.593 -4.928 81 HA ARG 15 HA ARG 15 8.744 6.811 -3.282 82 HB2 ARG 15 HB2 ARG 15 10.315 6.721 -5.159 83 HB3 ARG 15 HB3 ARG 15 8.723 6.148 -5.636 84 HG2 ARG 15 HG2 ARG 15 8.264 8.137 -6.833 85 HG3 ARG 15 HG3 ARG 15 9.668 8.954 -6.143 86 HD2 ARG 15 HD2 ARG 15 10.426 8.376 -8.248 87 HD3 ARG 15 HD3 ARG 15 11.012 7.038 -7.260 88 HE ARG 15 HE ARG 15 9.651 5.633 -8.437 89 HH11 ARG 15 HH11 ARG 15 8.567 8.907 -8.911 90 HH12 ARG 15 HH12 ARG 15 7.388 8.482 -10.108 91 HH21 ARG 15 HH21 ARG 15 8.104 5.061 -10.012 92 HH22 ARG 15 HH22 ARG 15 7.125 6.294 -10.733 93 H LEU 16 H LEU 16 10.634 7.610 -2.406 94 HA LEU 16 HA LEU 16 10.761 10.510 -2.191 95 HB2 LEU 16 HB2 LEU 16 11.940 8.220 -0.681 96 HB3 LEU 16 HB3 LEU 16 12.667 9.819 -0.544 97 HG LEU 16 HG LEU 16 10.146 10.483 0.005 98 HD11 LEU 16 HD11 LEU 16 9.214 8.687 1.491 99 HD12 LEU 16 HD12 LEU 16 9.146 8.344 -0.238 100 HD13 LEU 16 HD13 LEU 16 10.379 7.580 0.765 101 HD21 LEU 16 HD21 LEU 16 10.755 10.526 2.292 102 HD22 LEU 16 HD22 LEU 16 11.884 9.186 2.092 103 HD23 LEU 16 HD23 LEU 16 12.246 10.758 1.379 104 H GLN 17 H GLN 17 12.562 11.749 -2.701 105 HA GLN 17 HA GLN 17 13.957 11.151 -5.006 106 HB2 GLN 17 HB2 GLN 17 13.682 13.407 -3.840 107 HB3 GLN 17 HB3 GLN 17 15.060 12.944 -2.850 108 HG2 GLN 17 HG2 GLN 17 16.261 12.554 -5.093 109 HG3 GLN 17 HG3 GLN 17 14.957 13.521 -5.780 110 HE21 GLN 17 HE21 GLN 17 16.120 15.291 -6.329 111 HE22 GLN 17 HE22 GLN 17 16.916 16.317 -5.190 112 H SER 18 H SER 18 14.975 10.719 -1.640 113 HA SER 18 HA SER 18 17.600 9.955 -2.018 114 HB2 SER 18 HB2 SER 18 17.391 8.714 0.108 115 HB3 SER 18 HB3 SER 18 16.626 10.301 0.203 116 HG SER 18 HG SER 18 14.944 9.217 0.832 117 H GLY 19 H GLY 19 14.661 8.070 -2.442 118 HA2 GLY 19 HA2 GLY 19 14.729 6.343 -4.178 119 HA3 GLY 19 HA3 GLY 19 16.322 5.907 -3.577 120 H ALA 20 H ALA 20 13.322 6.552 -1.794 121 HA ALA 20 HA ALA 20 13.295 3.739 -0.939 122 HB1 ALA 20 HB1 ALA 20 14.222 5.680 0.701 123 HB2 ALA 20 HB2 ALA 20 12.508 5.685 1.120 124 HB3 ALA 20 HB3 ALA 20 13.446 4.198 1.259 125 H TRP 21 H TRP 21 11.157 3.536 0.557 126 HA TRP 21 HA TRP 21 8.987 4.228 -1.255 127 HB2 TRP 21 HB2 TRP 21 7.667 2.621 -0.018 128 HB3 TRP 21 HB3 TRP 21 9.234 1.908 -0.389 129 HD1 TRP 21 HD1 TRP 21 10.679 1.087 1.612 130 HE1 TRP 21 HE1 TRP 21 10.357 1.049 4.165 131 HE3 TRP 21 HE3 TRP 21 6.545 4.074 1.952 132 HZ2 TRP 21 HZ2 TRP 21 8.585 2.141 6.071 133 HZ3 TRP 21 HZ3 TRP 21 5.598 4.528 4.177 134 HH2 TRP 21 HH2 TRP 21 6.598 3.580 6.193 135 H GLY 22 H GLY 22 7.057 5.257 -0.580 136 HA2 GLY 22 HA2 GLY 22 6.837 6.396 2.050 137 HA3 GLY 22 HA3 GLY 22 7.279 7.582 0.832 138 H CYS 23 H CYS 23 4.860 7.457 2.432 139 HA CYS 23 HA CYS 23 2.867 7.058 0.297 140 HB2 CYS 23 HB2 CYS 23 2.505 6.919 3.297 141 HB3 CYS 23 HB3 CYS 23 1.203 6.786 2.120 142 H CYS 24 H CYS 24 1.657 8.747 -0.329 143 HA CYS 24 HA CYS 24 2.220 11.337 0.883 144 HB2 CYS 24 HB2 CYS 24 0.804 10.543 -1.665 145 HB3 CYS 24 HB3 CYS 24 0.941 12.208 -1.109 Start of MODEL 4 1 H1 CYS 1 H CYS 1 0.089 -0.754 -1.869 2 HA CYS 1 HA CYS 1 0.128 -0.728 -4.780 3 HB2 CYS 1 HB2 CYS 1 0.962 1.138 -3.090 4 HB3 CYS 1 HB3 CYS 1 2.448 0.194 -3.143 5 H ASP 2 H ASP 2 2.210 -1.912 -2.141 6 HA ASP 2 HA ASP 2 3.048 -4.111 -3.896 7 HB2 ASP 2 HB2 ASP 2 4.855 -2.278 -2.320 8 HB3 ASP 2 HB3 ASP 2 5.374 -3.859 -2.896 9 H MET 3 H MET 3 3.863 -5.980 -2.759 10 HA MET 3 HA MET 3 2.307 -6.705 -0.551 11 HB2 MET 3 HB2 MET 3 3.794 -8.686 -0.403 12 HB3 MET 3 HB3 MET 3 3.215 -8.382 -2.035 13 HG2 MET 3 HG2 MET 3 5.494 -7.044 -2.193 14 HG3 MET 3 HG3 MET 3 5.949 -8.172 -0.918 15 HE1 MET 3 HE1 MET 3 7.287 -10.938 -2.800 16 HE2 MET 3 HE2 MET 3 7.961 -9.308 -2.817 17 HE3 MET 3 HE3 MET 3 7.191 -9.928 -1.357 18 H GLU 4 H GLU 4 5.663 -5.595 -0.748 19 HA GLU 4 HA GLU 4 6.028 -5.796 2.113 20 HB2 GLU 4 HB2 GLU 4 7.887 -6.224 0.532 21 HB3 GLU 4 HB3 GLU 4 7.817 -4.543 0.023 22 HG2 GLU 4 HG2 GLU 4 9.608 -5.156 1.696 23 HG3 GLU 4 HG3 GLU 4 8.599 -3.765 2.087 24 H VAL 5 H VAL 5 5.948 -3.152 -0.273 25 HA VAL 5 HA VAL 5 5.727 -1.187 1.863 26 HB VAL 5 HB VAL 5 5.768 -0.762 -1.128 27 HG11 VAL 5 HG11 VAL 5 4.774 1.134 -0.140 28 HG12 VAL 5 HG12 VAL 5 5.906 1.121 1.212 29 HG13 VAL 5 HG13 VAL 5 6.463 1.568 -0.401 30 HG21 VAL 5 HG21 VAL 5 8.133 0.187 0.004 31 HG22 VAL 5 HG22 VAL 5 7.869 -1.391 0.746 32 HG23 VAL 5 HG23 VAL 5 7.938 -1.243 -1.010 33 H SER 6 H SER 6 3.812 -0.689 2.679 34 HA SER 6 HA SER 6 1.482 -0.639 0.879 35 HB2 SER 6 HB2 SER 6 1.354 -2.629 2.315 36 HB3 SER 6 HB3 SER 6 1.517 -1.613 3.747 37 HG SER 6 HG SER 6 -0.695 -2.228 2.391 38 H CYS 7 H CYS 7 -0.367 0.640 1.882 39 HA CYS 7 HA CYS 7 0.663 2.928 3.421 40 HB2 CYS 7 HB2 CYS 7 -0.997 2.961 0.905 41 HB3 CYS 7 HB3 CYS 7 -0.948 4.333 2.007 42 HA PRO 8 HA PRO 8 -3.131 1.129 5.404 43 HB2 PRO 8 HB2 PRO 8 -2.115 1.163 7.921 44 HB3 PRO 8 HB3 PRO 8 -1.867 -0.184 6.804 45 HG2 PRO 8 HG2 PRO 8 -0.028 2.079 7.480 46 HG3 PRO 8 HG3 PRO 8 0.343 0.357 7.283 47 HD2 PRO 8 HD2 PRO 8 0.829 2.182 5.343 48 HD3 PRO 8 HD3 PRO 8 0.390 0.500 4.983 49 H ASP 9 H ASP 9 -1.023 3.817 6.292 50 HA ASP 9 HA ASP 9 -2.632 5.188 8.067 51 HB2 ASP 9 HB2 ASP 9 -0.234 5.700 7.060 52 HB3 ASP 9 HB3 ASP 9 -1.159 6.758 5.998 53 H GLY 10 H GLY 10 -2.921 4.899 4.598 54 HA2 GLY 10 HA2 GLY 10 -5.141 5.136 3.638 55 HA3 GLY 10 HA3 GLY 10 -5.418 6.464 4.755 56 H TYR 11 H TYR 11 -2.558 5.878 2.758 57 HA TYR 11 HA TYR 11 -3.251 8.245 1.158 58 HB2 TYR 11 HB2 TYR 11 -0.779 7.742 2.758 59 HB3 TYR 11 HB3 TYR 11 -0.636 8.620 1.239 60 HD1 TYR 11 HD1 TYR 11 -2.870 10.361 1.096 61 HD2 TYR 11 HD2 TYR 11 -0.671 9.190 4.546 62 HE1 TYR 11 HE1 TYR 11 -3.551 12.436 2.227 63 HE2 TYR 11 HE2 TYR 11 -1.347 11.262 5.687 64 HH TYR 11 HH TYR 11 -2.167 13.785 4.583 65 H THR 12 H THR 12 -1.422 8.418 -0.660 66 HA THR 12 HA THR 12 -1.597 5.897 -2.104 67 HB THR 12 HB THR 12 -2.245 7.859 -3.347 68 HG1 THR 12 HG1 THR 12 -1.331 6.826 -4.946 69 HG21 THR 12 HG21 THR 12 -1.261 9.834 -3.047 70 HG22 THR 12 HG22 THR 12 -0.083 9.076 -1.976 71 HG23 THR 12 HG23 THR 12 0.247 9.198 -3.704 72 H CYS 13 H CYS 13 0.232 4.978 -3.208 73 HA CYS 13 HA CYS 13 2.590 4.960 -1.553 74 HB2 CYS 13 HB2 CYS 13 3.373 3.196 -3.099 75 HB3 CYS 13 HB3 CYS 13 1.761 2.864 -2.473 76 H CYS 14 H CYS 14 4.487 5.940 -1.918 77 HA CYS 14 HA CYS 14 5.027 7.076 -4.565 78 HB2 CYS 14 HB2 CYS 14 5.429 8.665 -2.028 79 HB3 CYS 14 HB3 CYS 14 5.602 9.228 -3.687 80 H ARG 15 H ARG 15 7.362 8.180 -4.374 81 HA ARG 15 HA ARG 15 9.112 6.337 -2.893 82 HB2 ARG 15 HB2 ARG 15 10.669 6.505 -4.916 83 HB3 ARG 15 HB3 ARG 15 9.244 5.488 -5.081 84 HG2 ARG 15 HG2 ARG 15 9.015 8.315 -5.938 85 HG3 ARG 15 HG3 ARG 15 9.972 7.224 -6.941 86 HD2 ARG 15 HD2 ARG 15 7.277 6.345 -6.026 87 HD3 ARG 15 HD3 ARG 15 7.386 7.526 -7.331 88 HE ARG 15 HE ARG 15 9.107 5.394 -7.911 89 HH11 ARG 15 HH11 ARG 15 5.702 6.068 -7.638 90 HH12 ARG 15 HH12 ARG 15 5.237 4.856 -8.786 91 HH21 ARG 15 HH21 ARG 15 8.508 3.795 -9.423 92 HH22 ARG 15 HH22 ARG 15 6.834 3.563 -9.799 93 H LEU 16 H LEU 16 10.829 7.249 -1.898 94 HA LEU 16 HA LEU 16 10.995 10.154 -1.943 95 HB2 LEU 16 HB2 LEU 16 11.894 7.992 -0.123 96 HB3 LEU 16 HB3 LEU 16 12.832 9.483 -0.133 97 HG LEU 16 HG LEU 16 10.486 10.600 0.227 98 HD11 LEU 16 HD11 LEU 16 10.034 7.839 1.351 99 HD12 LEU 16 HD12 LEU 16 8.971 9.234 1.536 100 HD13 LEU 16 HD13 LEU 16 9.217 8.518 -0.057 101 HD21 LEU 16 HD21 LEU 16 12.620 10.073 1.814 102 HD22 LEU 16 HD22 LEU 16 11.192 10.972 2.327 103 HD23 LEU 16 HD23 LEU 16 11.331 9.253 2.696 104 H GLN 17 H GLN 17 12.885 11.316 -2.372 105 HA GLN 17 HA GLN 17 14.410 10.534 -4.534 106 HB2 GLN 17 HB2 GLN 17 14.959 12.547 -2.361 107 HB3 GLN 17 HB3 GLN 17 16.034 12.336 -3.737 108 HG2 GLN 17 HG2 GLN 17 13.110 12.976 -4.000 109 HG3 GLN 17 HG3 GLN 17 14.378 14.199 -3.937 110 HE21 GLN 17 HE21 GLN 17 12.536 13.701 -6.077 111 HE22 GLN 17 HE22 GLN 17 13.475 13.280 -7.465 112 H SER 18 H SER 18 15.328 10.444 -1.097 113 HA SER 18 HA SER 18 17.893 9.457 -1.343 114 HB2 SER 18 HB2 SER 18 16.049 8.492 0.833 115 HB3 SER 18 HB3 SER 18 17.772 8.858 0.930 116 HG SER 18 HG SER 18 16.154 10.453 1.791 117 H GLY 19 H GLY 19 14.830 7.736 -1.514 118 HA2 GLY 19 HA2 GLY 19 14.795 5.778 -2.999 119 HA3 GLY 19 HA3 GLY 19 16.337 5.317 -2.294 120 H ALA 20 H ALA 20 13.607 6.549 -0.460 121 HA ALA 20 HA ALA 20 13.384 3.908 0.828 122 HB1 ALA 20 HB1 ALA 20 13.317 4.877 2.852 123 HB2 ALA 20 HB2 ALA 20 14.060 6.248 2.028 124 HB3 ALA 20 HB3 ALA 20 12.316 6.216 2.290 125 H TRP 21 H TRP 21 11.208 3.462 1.787 126 HA TRP 21 HA TRP 21 9.171 4.052 -0.206 127 HB2 TRP 21 HB2 TRP 21 7.865 2.297 0.935 128 HB3 TRP 21 HB3 TRP 21 9.467 1.727 0.474 129 HD1 TRP 21 HD1 TRP 21 11.087 0.958 2.391 130 HE1 TRP 21 HE1 TRP 21 10.795 0.611 4.924 131 HE3 TRP 21 HE3 TRP 21 6.584 3.295 3.015 132 HZ2 TRP 21 HZ2 TRP 21 8.904 1.243 6.923 133 HZ3 TRP 21 HZ3 TRP 21 5.601 3.380 5.269 134 HH2 TRP 21 HH2 TRP 21 6.739 2.374 7.181 135 H GLY 22 H GLY 22 7.330 5.202 0.146 136 HA2 GLY 22 HA2 GLY 22 6.606 6.024 2.839 137 HA3 GLY 22 HA3 GLY 22 7.141 7.316 1.775 138 H CYS 23 H CYS 23 4.737 7.723 2.657 139 HA CYS 23 HA CYS 23 3.000 7.043 0.389 140 HB2 CYS 23 HB2 CYS 23 2.230 6.937 3.312 141 HB3 CYS 23 HB3 CYS 23 1.084 6.841 1.979 142 H CYS 24 H CYS 24 1.880 8.716 -0.427 143 HA CYS 24 HA CYS 24 2.237 11.321 0.855 144 HB2 CYS 24 HB2 CYS 24 1.154 10.732 -1.905 145 HB3 CYS 24 HB3 CYS 24 1.695 12.289 -1.284 Start of MODEL 5 1 H1 CYS 1 H CYS 1 3.380 2.689 -0.482 2 HA CYS 1 HA CYS 1 2.103 0.390 0.054 3 HB2 CYS 1 HB2 CYS 1 1.605 0.222 -2.437 4 HB3 CYS 1 HB3 CYS 1 1.226 1.760 -1.668 5 H ASP 2 H ASP 2 2.916 -1.547 0.505 6 HA ASP 2 HA ASP 2 4.357 -3.010 -1.504 7 HB2 ASP 2 HB2 ASP 2 5.743 -1.947 0.914 8 HB3 ASP 2 HB3 ASP 2 6.153 -3.573 0.373 9 H MET 3 H MET 3 5.035 -5.240 -0.509 10 HA MET 3 HA MET 3 2.648 -6.394 0.546 11 HB2 MET 3 HB2 MET 3 3.896 -8.510 0.479 12 HB3 MET 3 HB3 MET 3 4.043 -7.623 -1.032 13 HG2 MET 3 HG2 MET 3 6.232 -6.711 0.035 14 HG3 MET 3 HG3 MET 3 6.088 -8.125 1.076 15 HE1 MET 3 HE1 MET 3 7.078 -9.874 0.843 16 HE2 MET 3 HE2 MET 3 6.969 -10.983 -0.524 17 HE3 MET 3 HE3 MET 3 8.399 -9.971 -0.321 18 H GLU 4 H GLU 4 5.831 -5.624 1.856 19 HA GLU 4 HA GLU 4 5.346 -6.860 4.392 20 HB2 GLU 4 HB2 GLU 4 7.407 -5.618 5.086 21 HB3 GLU 4 HB3 GLU 4 7.619 -6.643 3.674 22 HG2 GLU 4 HG2 GLU 4 6.880 -4.157 2.658 23 HG3 GLU 4 HG3 GLU 4 8.014 -3.809 3.962 24 H VAL 5 H VAL 5 5.045 -3.608 3.082 25 HA VAL 5 HA VAL 5 3.680 -2.810 5.568 26 HB VAL 5 HB VAL 5 5.822 -1.683 5.531 27 HG11 VAL 5 HG11 VAL 5 6.082 -1.869 3.025 28 HG12 VAL 5 HG12 VAL 5 5.058 -0.438 2.901 29 HG13 VAL 5 HG13 VAL 5 6.606 -0.346 3.742 30 HG21 VAL 5 HG21 VAL 5 3.424 -0.471 5.885 31 HG22 VAL 5 HG22 VAL 5 4.981 0.296 6.197 32 HG23 VAL 5 HG23 VAL 5 4.151 0.575 4.666 33 H SER 6 H SER 6 1.666 -2.119 5.282 34 HA SER 6 HA SER 6 0.808 -1.426 2.554 35 HB2 SER 6 HB2 SER 6 -0.375 -3.352 3.403 36 HB3 SER 6 HB3 SER 6 -0.765 -2.508 4.902 37 HG SER 6 HG SER 6 -1.659 -1.779 2.306 38 H CYS 7 H CYS 7 -0.997 0.171 2.430 39 HA CYS 7 HA CYS 7 -0.600 2.310 4.418 40 HB2 CYS 7 HB2 CYS 7 -1.154 2.483 1.453 41 HB3 CYS 7 HB3 CYS 7 -1.254 3.865 2.539 42 HA PRO 8 HA PRO 8 -5.040 0.965 4.635 43 HB2 PRO 8 HB2 PRO 8 -5.150 0.964 7.347 44 HB3 PRO 8 HB3 PRO 8 -4.608 -0.431 6.407 45 HG2 PRO 8 HG2 PRO 8 -2.982 1.648 7.819 46 HG3 PRO 8 HG3 PRO 8 -2.747 -0.109 7.763 47 HD2 PRO 8 HD2 PRO 8 -1.317 1.603 6.227 48 HD3 PRO 8 HD3 PRO 8 -1.745 -0.034 5.689 49 H ASP 9 H ASP 9 -3.214 3.443 6.363 50 HA ASP 9 HA ASP 9 -5.258 5.022 7.338 51 HB2 ASP 9 HB2 ASP 9 -2.505 5.672 6.326 52 HB3 ASP 9 HB3 ASP 9 -3.585 6.954 6.867 53 H GLY 10 H GLY 10 -4.114 4.672 4.056 54 HA2 GLY 10 HA2 GLY 10 -5.696 5.113 2.266 55 HA3 GLY 10 HA3 GLY 10 -6.272 6.490 3.193 56 H TYR 11 H TYR 11 -2.919 5.566 2.554 57 HA TYR 11 HA TYR 11 -2.543 8.181 1.266 58 HB2 TYR 11 HB2 TYR 11 -0.770 6.413 2.898 59 HB3 TYR 11 HB3 TYR 11 -0.035 7.487 1.712 60 HD1 TYR 11 HD1 TYR 11 0.926 9.279 2.806 61 HD2 TYR 11 HD2 TYR 11 -2.902 7.920 4.072 62 HE1 TYR 11 HE1 TYR 11 0.803 11.139 4.410 63 HE2 TYR 11 HE2 TYR 11 -3.036 9.778 5.679 64 HH TYR 11 HH TYR 11 -1.489 11.277 6.892 65 H THR 12 H THR 12 -1.356 8.357 -0.656 66 HA THR 12 HA THR 12 -1.534 6.005 -2.360 67 HB THR 12 HB THR 12 -2.382 8.220 -3.144 68 HG1 THR 12 HG1 THR 12 -1.466 7.968 -5.226 69 HG21 THR 12 HG21 THR 12 -0.988 10.021 -3.604 70 HG22 THR 12 HG22 THR 12 -0.330 9.413 -2.084 71 HG23 THR 12 HG23 THR 12 0.467 9.023 -3.609 72 H CYS 13 H CYS 13 0.313 5.874 -4.068 73 HA CYS 13 HA CYS 13 2.733 5.352 -2.596 74 HB2 CYS 13 HB2 CYS 13 2.124 5.038 -5.543 75 HB3 CYS 13 HB3 CYS 13 3.559 4.427 -4.726 76 H CYS 14 H CYS 14 4.555 6.526 -2.553 77 HA CYS 14 HA CYS 14 5.003 8.607 -4.544 78 HB2 CYS 14 HB2 CYS 14 4.286 9.102 -1.724 79 HB3 CYS 14 HB3 CYS 14 5.680 10.003 -2.311 80 H ARG 15 H ARG 15 7.133 9.003 -4.938 81 HA ARG 15 HA ARG 15 9.034 7.228 -3.618 82 HB2 ARG 15 HB2 ARG 15 8.751 7.635 -6.200 83 HB3 ARG 15 HB3 ARG 15 9.765 9.037 -5.886 84 HG2 ARG 15 HG2 ARG 15 11.413 7.457 -4.816 85 HG3 ARG 15 HG3 ARG 15 10.439 6.140 -5.473 86 HD2 ARG 15 HD2 ARG 15 11.337 8.330 -7.287 87 HD3 ARG 15 HD3 ARG 15 12.496 7.093 -6.799 88 HE ARG 15 HE ARG 15 10.149 5.842 -7.694 89 HH11 ARG 15 HH11 ARG 15 12.822 7.708 -8.917 90 HH12 ARG 15 HH12 ARG 15 12.765 6.997 -10.495 91 HH21 ARG 15 HH21 ARG 15 10.064 4.898 -9.769 92 HH22 ARG 15 HH22 ARG 15 11.196 5.399 -10.979 93 H LEU 16 H LEU 16 10.916 7.925 -2.614 94 HA LEU 16 HA LEU 16 10.783 10.627 -1.542 95 HB2 LEU 16 HB2 LEU 16 12.153 8.101 -0.801 96 HB3 LEU 16 HB3 LEU 16 12.912 9.614 -0.309 97 HG LEU 16 HG LEU 16 10.910 10.227 0.940 98 HD11 LEU 16 HD11 LEU 16 9.038 8.757 1.177 99 HD12 LEU 16 HD12 LEU 16 9.307 9.036 -0.544 100 HD13 LEU 16 HD13 LEU 16 9.822 7.519 0.195 101 HD21 LEU 16 HD21 LEU 16 12.742 8.811 1.936 102 HD22 LEU 16 HD22 LEU 16 11.177 8.714 2.744 103 HD23 LEU 16 HD23 LEU 16 11.697 7.415 1.670 104 H GLN 17 H GLN 17 12.657 12.012 -1.473 105 HA GLN 17 HA GLN 17 13.826 12.501 -3.924 106 HB2 GLN 17 HB2 GLN 17 15.551 13.812 -2.566 107 HB3 GLN 17 HB3 GLN 17 13.863 14.261 -2.367 108 HG2 GLN 17 HG2 GLN 17 14.880 12.239 -0.486 109 HG3 GLN 17 HG3 GLN 17 15.564 13.857 -0.329 110 HE21 GLN 17 HE21 GLN 17 14.437 13.555 1.800 111 HE22 GLN 17 HE22 GLN 17 12.796 14.085 1.900 112 H SER 18 H SER 18 14.967 10.470 -1.296 113 HA SER 18 HA SER 18 17.574 10.034 -2.327 114 HB2 SER 18 HB2 SER 18 16.654 9.598 0.062 115 HB3 SER 18 HB3 SER 18 16.131 8.046 -0.592 116 HG SER 18 HG SER 18 18.251 7.544 -1.052 117 H GLY 19 H GLY 19 14.479 8.422 -2.763 118 HA2 GLY 19 HA2 GLY 19 14.125 7.379 -4.959 119 HA3 GLY 19 HA3 GLY 19 15.753 6.731 -4.825 120 H ALA 20 H ALA 20 13.365 6.817 -2.239 121 HA ALA 20 HA ALA 20 13.342 3.870 -2.281 122 HB1 ALA 20 HB1 ALA 20 13.912 3.922 -0.139 123 HB2 ALA 20 HB2 ALA 20 13.960 5.684 -0.191 124 HB3 ALA 20 HB3 ALA 20 12.463 4.854 0.235 125 H TRP 21 H TRP 21 11.329 2.954 -1.173 126 HA TRP 21 HA TRP 21 9.013 4.159 -2.461 127 HB2 TRP 21 HB2 TRP 21 9.497 1.477 -1.168 128 HB3 TRP 21 HB3 TRP 21 7.898 1.996 -1.693 129 HD1 TRP 21 HD1 TRP 21 10.865 0.210 -2.921 130 HE1 TRP 21 HE1 TRP 21 10.768 -0.079 -5.477 131 HE3 TRP 21 HE3 TRP 21 7.092 3.497 -3.967 132 HZ2 TRP 21 HZ2 TRP 21 9.288 0.950 -7.649 133 HZ3 TRP 21 HZ3 TRP 21 6.396 3.787 -6.309 134 HH2 TRP 21 HH2 TRP 21 7.473 2.539 -8.110 135 H GLY 22 H GLY 22 7.168 4.835 -1.406 136 HA2 GLY 22 HA2 GLY 22 6.776 4.495 1.404 137 HA3 GLY 22 HA3 GLY 22 7.379 6.103 1.029 138 H CYS 23 H CYS 23 5.136 6.365 2.161 139 HA CYS 23 HA CYS 23 3.096 6.550 0.042 140 HB2 CYS 23 HB2 CYS 23 2.962 5.357 2.661 141 HB3 CYS 23 HB3 CYS 23 1.807 6.681 2.545 142 H CYS 24 H CYS 24 1.921 8.437 -0.133 143 HA CYS 24 HA CYS 24 2.634 10.638 1.677 144 HB2 CYS 24 HB2 CYS 24 2.993 12.158 -0.134 145 HB3 CYS 24 HB3 CYS 24 3.978 10.734 -0.451 Start of MODEL 6 1 H1 CYS 1 H CYS 1 4.667 2.326 -0.873 2 HA CYS 1 HA CYS 1 2.612 0.356 -1.205 3 HB2 CYS 1 HB2 CYS 1 4.442 1.788 -3.128 4 HB3 CYS 1 HB3 CYS 1 3.300 0.557 -3.659 5 H ASP 2 H ASP 2 4.456 -0.854 0.333 6 HA ASP 2 HA ASP 2 5.903 -2.660 -1.489 7 HB2 ASP 2 HB2 ASP 2 7.119 -1.277 0.366 8 HB3 ASP 2 HB3 ASP 2 6.466 -2.499 1.453 9 H MET 3 H MET 3 6.008 -4.935 -0.847 10 HA MET 3 HA MET 3 3.480 -6.039 -0.411 11 HB2 MET 3 HB2 MET 3 5.385 -7.190 -1.529 12 HB3 MET 3 HB3 MET 3 6.148 -7.385 0.044 13 HG2 MET 3 HG2 MET 3 4.400 -8.818 0.797 14 HG3 MET 3 HG3 MET 3 3.435 -8.482 -0.638 15 HE1 MET 3 HE1 MET 3 3.203 -10.763 -2.141 16 HE2 MET 3 HE2 MET 3 4.141 -12.101 -1.478 17 HE3 MET 3 HE3 MET 3 3.194 -11.071 -0.404 18 H GLU 4 H GLU 4 6.283 -6.082 1.802 19 HA GLU 4 HA GLU 4 4.884 -7.116 4.004 20 HB2 GLU 4 HB2 GLU 4 7.470 -6.739 3.531 21 HB3 GLU 4 HB3 GLU 4 7.181 -5.269 4.450 22 HG2 GLU 4 HG2 GLU 4 7.836 -6.724 6.094 23 HG3 GLU 4 HG3 GLU 4 6.081 -6.871 6.170 24 H VAL 5 H VAL 5 5.919 -3.756 3.394 25 HA VAL 5 HA VAL 5 3.794 -2.865 5.231 26 HB VAL 5 HB VAL 5 6.273 -1.347 4.409 27 HG11 VAL 5 HG11 VAL 5 5.471 -0.118 6.622 28 HG12 VAL 5 HG12 VAL 5 4.867 0.334 5.027 29 HG13 VAL 5 HG13 VAL 5 3.901 -0.707 6.073 30 HG21 VAL 5 HG21 VAL 5 6.526 -1.808 7.076 31 HG22 VAL 5 HG22 VAL 5 5.778 -3.310 6.534 32 HG23 VAL 5 HG23 VAL 5 7.296 -2.772 5.815 33 H SER 6 H SER 6 2.130 -1.799 4.394 34 HA SER 6 HA SER 6 2.484 -0.412 1.823 35 HB2 SER 6 HB2 SER 6 1.262 -2.665 1.675 36 HB3 SER 6 HB3 SER 6 -0.055 -1.873 2.541 37 HG SER 6 HG SER 6 1.014 -1.218 0.003 38 H CYS 7 H CYS 7 0.074 0.733 1.497 39 HA CYS 7 HA CYS 7 -0.227 2.400 3.909 40 HB2 CYS 7 HB2 CYS 7 -0.105 3.066 1.010 41 HB3 CYS 7 HB3 CYS 7 -1.190 4.022 2.015 42 HA PRO 8 HA PRO 8 -4.268 0.231 3.178 43 HB2 PRO 8 HB2 PRO 8 -4.670 -0.395 5.789 44 HB3 PRO 8 HB3 PRO 8 -3.740 -1.418 4.688 45 HG2 PRO 8 HG2 PRO 8 -2.766 0.562 6.710 46 HG3 PRO 8 HG3 PRO 8 -2.151 -1.061 6.348 47 HD2 PRO 8 HD2 PRO 8 -0.967 1.187 5.412 48 HD3 PRO 8 HD3 PRO 8 -0.969 -0.339 4.506 49 H ASP 9 H ASP 9 -3.219 2.564 5.610 50 HA ASP 9 HA ASP 9 -5.647 3.471 6.557 51 HB2 ASP 9 HB2 ASP 9 -3.319 5.292 5.943 52 HB3 ASP 9 HB3 ASP 9 -4.528 5.476 7.211 53 H GLY 10 H GLY 10 -4.117 4.076 3.476 54 HA2 GLY 10 HA2 GLY 10 -5.563 4.591 1.592 55 HA3 GLY 10 HA3 GLY 10 -6.515 5.599 2.673 56 H TYR 11 H TYR 11 -2.993 5.483 2.365 57 HA TYR 11 HA TYR 11 -2.981 8.361 1.927 58 HB2 TYR 11 HB2 TYR 11 -0.974 6.333 2.788 59 HB3 TYR 11 HB3 TYR 11 -0.381 7.795 2.006 60 HD1 TYR 11 HD1 TYR 11 0.363 9.384 3.490 61 HD2 TYR 11 HD2 TYR 11 -2.992 7.003 4.571 62 HE1 TYR 11 HE1 TYR 11 0.198 10.597 5.624 63 HE2 TYR 11 HE2 TYR 11 -3.168 8.209 6.707 64 HH TYR 11 HH TYR 11 -1.798 11.074 7.319 65 H THR 12 H THR 12 -1.294 9.199 0.348 66 HA THR 12 HA THR 12 -1.794 7.939 -2.227 67 HB THR 12 HB THR 12 -0.231 10.478 -1.878 68 HG1 THR 12 HG1 THR 12 -1.968 11.525 -1.259 69 HG21 THR 12 HG21 THR 12 -2.024 9.316 -3.999 70 HG22 THR 12 HG22 THR 12 -1.524 11.007 -4.002 71 HG23 THR 12 HG23 THR 12 -0.314 9.730 -4.120 72 H CYS 13 H CYS 13 -0.274 7.035 -3.523 73 HA CYS 13 HA CYS 13 2.237 6.306 -2.311 74 HB2 CYS 13 HB2 CYS 13 0.670 4.907 -3.894 75 HB3 CYS 13 HB3 CYS 13 1.575 5.714 -5.171 76 H CYS 14 H CYS 14 4.107 7.332 -2.537 77 HA CYS 14 HA CYS 14 4.544 9.006 -4.909 78 HB2 CYS 14 HB2 CYS 14 5.326 9.879 -2.126 79 HB3 CYS 14 HB3 CYS 14 5.406 10.823 -3.610 80 H ARG 15 H ARG 15 6.767 9.375 -5.432 81 HA ARG 15 HA ARG 15 8.525 7.263 -4.382 82 HB2 ARG 15 HB2 ARG 15 7.875 7.448 -6.892 83 HB3 ARG 15 HB3 ARG 15 9.030 8.773 -6.927 84 HG2 ARG 15 HG2 ARG 15 10.803 7.293 -6.210 85 HG3 ARG 15 HG3 ARG 15 9.657 5.959 -6.062 86 HD2 ARG 15 HD2 ARG 15 10.822 5.711 -8.136 87 HD3 ARG 15 HD3 ARG 15 9.166 6.200 -8.492 88 HE ARG 15 HE ARG 15 10.001 8.078 -9.474 89 HH11 ARG 15 HH11 ARG 15 12.397 6.817 -7.287 90 HH12 ARG 15 HH12 ARG 15 13.607 7.972 -7.739 91 HH21 ARG 15 HH21 ARG 15 11.584 9.604 -10.078 92 HH22 ARG 15 HH22 ARG 15 13.143 9.558 -9.327 93 H LEU 16 H LEU 16 10.455 7.746 -3.482 94 HA LEU 16 HA LEU 16 11.012 10.565 -2.981 95 HB2 LEU 16 HB2 LEU 16 12.568 8.275 -1.842 96 HB3 LEU 16 HB3 LEU 16 12.315 9.885 -1.172 97 HG LEU 16 HG LEU 16 10.322 7.624 -1.276 98 HD11 LEU 16 HD11 LEU 16 11.359 7.088 0.628 99 HD12 LEU 16 HD12 LEU 16 12.201 8.635 0.715 100 HD13 LEU 16 HD13 LEU 16 10.545 8.497 1.307 101 HD21 LEU 16 HD21 LEU 16 8.857 9.341 -1.486 102 HD22 LEU 16 HD22 LEU 16 9.125 9.457 0.254 103 HD23 LEU 16 HD23 LEU 16 9.988 10.533 -0.845 104 H GLN 17 H GLN 17 12.669 11.655 -3.847 105 HA GLN 17 HA GLN 17 14.028 10.780 -6.094 106 HB2 GLN 17 HB2 GLN 17 15.464 12.725 -5.824 107 HB3 GLN 17 HB3 GLN 17 13.797 13.147 -5.455 108 HG2 GLN 17 HG2 GLN 17 14.340 12.875 -3.038 109 HG3 GLN 17 HG3 GLN 17 16.029 12.666 -3.499 110 HE21 GLN 17 HE21 GLN 17 13.419 14.885 -3.110 111 HE22 GLN 17 HE22 GLN 17 14.325 16.331 -3.380 112 H SER 18 H SER 18 14.958 10.594 -2.705 113 HA SER 18 HA SER 18 17.626 9.925 -2.919 114 HB2 SER 18 HB2 SER 18 17.478 9.053 -0.730 115 HB3 SER 18 HB3 SER 18 16.203 10.270 -0.805 116 HG SER 18 HG SER 18 15.894 7.819 -0.088 117 H GLY 19 H GLY 19 14.789 7.907 -3.419 118 HA2 GLY 19 HA2 GLY 19 15.079 6.137 -5.120 119 HA3 GLY 19 HA3 GLY 19 16.592 5.744 -4.317 120 H ALA 20 H ALA 20 13.423 6.443 -2.889 121 HA ALA 20 HA ALA 20 13.190 3.646 -2.060 122 HB1 ALA 20 HB1 ALA 20 12.506 5.523 0.079 123 HB2 ALA 20 HB2 ALA 20 13.392 3.999 0.143 124 HB3 ALA 20 HB3 ALA 20 14.222 5.483 -0.328 125 H TRP 21 H TRP 21 11.011 3.463 -0.726 126 HA TRP 21 HA TRP 21 8.967 4.828 -2.344 127 HB2 TRP 21 HB2 TRP 21 7.498 2.914 -1.765 128 HB3 TRP 21 HB3 TRP 21 8.948 2.418 -2.634 129 HD1 TRP 21 HD1 TRP 21 10.567 0.751 -1.438 130 HE1 TRP 21 HE1 TRP 21 10.483 -0.522 0.797 131 HE3 TRP 21 HE3 TRP 21 6.639 3.193 0.740 132 HZ2 TRP 21 HZ2 TRP 21 8.953 -0.496 3.169 133 HZ3 TRP 21 HZ3 TRP 21 5.927 2.508 2.993 134 HH2 TRP 21 HH2 TRP 21 7.061 0.701 4.181 135 H GLY 22 H GLY 22 7.209 5.803 -1.376 136 HA2 GLY 22 HA2 GLY 22 6.856 5.663 1.498 137 HA3 GLY 22 HA3 GLY 22 7.431 7.215 0.905 138 H CYS 23 H CYS 23 5.229 7.577 2.116 139 HA CYS 23 HA CYS 23 3.138 7.633 0.043 140 HB2 CYS 23 HB2 CYS 23 3.047 6.535 2.742 141 HB3 CYS 23 HB3 CYS 23 1.782 7.727 2.463 142 H CYS 24 H CYS 24 1.467 9.342 0.475 143 HA CYS 24 HA CYS 24 2.643 11.695 1.795 144 HB2 CYS 24 HB2 CYS 24 1.214 11.682 -0.873 145 HB3 CYS 24 HB3 CYS 24 1.808 13.111 -0.033 Start of MODEL 7 1 H1 CYS 1 H CYS 1 0.220 -2.416 -0.702 2 HA CYS 1 HA CYS 1 0.531 -1.530 -3.455 3 HB2 CYS 1 HB2 CYS 1 -0.157 0.095 -1.742 4 HB3 CYS 1 HB3 CYS 1 1.338 -0.199 -0.860 5 H ASP 2 H ASP 2 2.616 -2.236 -0.660 6 HA ASP 2 HA ASP 2 4.892 -2.472 -2.512 7 HB2 ASP 2 HB2 ASP 2 4.603 -1.283 0.111 8 HB3 ASP 2 HB3 ASP 2 5.873 -2.504 0.113 9 H MET 3 H MET 3 6.643 -3.998 -1.292 10 HA MET 3 HA MET 3 5.571 -6.615 -1.527 11 HB2 MET 3 HB2 MET 3 7.857 -7.327 -0.758 12 HB3 MET 3 HB3 MET 3 7.845 -6.273 -2.166 13 HG2 MET 3 HG2 MET 3 8.013 -4.623 0.120 14 HG3 MET 3 HG3 MET 3 9.181 -5.928 0.318 15 HE1 MET 3 HE1 MET 3 11.908 -5.365 -1.964 16 HE2 MET 3 HE2 MET 3 11.771 -4.689 -0.341 17 HE3 MET 3 HE3 MET 3 11.099 -6.282 -0.693 18 H GLU 4 H GLU 4 6.391 -4.551 1.198 19 HA GLU 4 HA GLU 4 4.888 -6.319 2.955 20 HB2 GLU 4 HB2 GLU 4 6.738 -6.130 4.693 21 HB3 GLU 4 HB3 GLU 4 7.029 -7.228 3.351 22 HG2 GLU 4 HG2 GLU 4 8.543 -5.753 2.330 23 HG3 GLU 4 HG3 GLU 4 8.035 -4.403 3.344 24 H VAL 5 H VAL 5 4.321 -3.748 1.883 25 HA VAL 5 HA VAL 5 3.919 -2.302 4.375 26 HB VAL 5 HB VAL 5 5.252 -0.997 1.998 27 HG11 VAL 5 HG11 VAL 5 3.921 0.074 4.425 28 HG12 VAL 5 HG12 VAL 5 5.398 0.868 3.880 29 HG13 VAL 5 HG13 VAL 5 4.014 0.741 2.795 30 HG21 VAL 5 HG21 VAL 5 6.861 -2.282 3.213 31 HG22 VAL 5 HG22 VAL 5 7.093 -0.586 3.640 32 HG23 VAL 5 HG23 VAL 5 6.263 -1.671 4.756 33 H SER 6 H SER 6 1.984 -1.316 4.442 34 HA SER 6 HA SER 6 0.534 -0.922 1.912 35 HB2 SER 6 HB2 SER 6 -0.940 -1.766 4.382 36 HB3 SER 6 HB3 SER 6 -1.392 -1.966 2.689 37 HG SER 6 HG SER 6 -0.709 -3.937 3.142 38 H CYS 7 H CYS 7 -1.420 0.517 2.231 39 HA CYS 7 HA CYS 7 -0.822 2.616 4.212 40 HB2 CYS 7 HB2 CYS 7 -1.725 2.923 1.344 41 HB3 CYS 7 HB3 CYS 7 -1.727 4.239 2.513 42 HA PRO 8 HA PRO 8 -5.151 1.055 4.833 43 HB2 PRO 8 HB2 PRO 8 -4.960 0.909 7.537 44 HB3 PRO 8 HB3 PRO 8 -4.469 -0.409 6.467 45 HG2 PRO 8 HG2 PRO 8 -2.783 1.669 7.809 46 HG3 PRO 8 HG3 PRO 8 -2.483 -0.069 7.629 47 HD2 PRO 8 HD2 PRO 8 -1.304 1.784 6.045 48 HD3 PRO 8 HD3 PRO 8 -1.721 0.158 5.465 49 H ASP 9 H ASP 9 -3.248 3.524 6.490 50 HA ASP 9 HA ASP 9 -5.238 4.952 7.766 51 HB2 ASP 9 HB2 ASP 9 -3.710 6.980 7.262 52 HB3 ASP 9 HB3 ASP 9 -3.055 5.656 8.221 53 H GLY 10 H GLY 10 -4.440 4.828 4.368 54 HA2 GLY 10 HA2 GLY 10 -6.187 5.293 2.761 55 HA3 GLY 10 HA3 GLY 10 -6.771 6.554 3.837 56 H TYR 11 H TYR 11 -3.424 5.961 2.880 57 HA TYR 11 HA TYR 11 -3.409 8.628 1.632 58 HB2 TYR 11 HB2 TYR 11 -1.363 7.132 3.229 59 HB3 TYR 11 HB3 TYR 11 -0.838 8.337 2.059 60 HD1 TYR 11 HD1 TYR 11 -1.199 7.968 5.370 61 HD2 TYR 11 HD2 TYR 11 -2.654 10.513 2.287 62 HE1 TYR 11 HE1 TYR 11 -1.595 9.740 7.029 63 HE2 TYR 11 HE2 TYR 11 -3.053 12.293 3.936 64 HH TYR 11 HH TYR 11 -3.164 12.774 6.135 65 H THR 12 H THR 12 -1.563 8.841 -0.022 66 HA THR 12 HA THR 12 -1.864 6.638 -1.922 67 HB THR 12 HB THR 12 -2.428 8.805 -2.817 68 HG1 THR 12 HG1 THR 12 -0.810 8.875 -4.533 69 HG21 THR 12 HG21 THR 12 0.337 9.622 -1.923 70 HG22 THR 12 HG22 THR 12 -0.674 10.576 -3.008 71 HG23 THR 12 HG23 THR 12 -1.204 10.266 -1.355 72 H CYS 13 H CYS 13 -0.083 5.738 -3.032 73 HA CYS 13 HA CYS 13 2.287 5.510 -1.401 74 HB2 CYS 13 HB2 CYS 13 1.506 4.224 -4.025 75 HB3 CYS 13 HB3 CYS 13 2.992 3.862 -3.153 76 H CYS 14 H CYS 14 4.080 6.663 -1.621 77 HA CYS 14 HA CYS 14 4.582 8.006 -4.196 78 HB2 CYS 14 HB2 CYS 14 5.330 9.069 -1.466 79 HB3 CYS 14 HB3 CYS 14 5.511 9.896 -3.010 80 H ARG 15 H ARG 15 6.971 8.730 -4.321 81 HA ARG 15 HA ARG 15 8.674 6.545 -3.315 82 HB2 ARG 15 HB2 ARG 15 9.961 6.678 -5.390 83 HB3 ARG 15 HB3 ARG 15 8.272 6.316 -5.722 84 HG2 ARG 15 HG2 ARG 15 8.062 8.887 -6.045 85 HG3 ARG 15 HG3 ARG 15 9.813 8.813 -6.253 86 HD2 ARG 15 HD2 ARG 15 7.870 7.107 -7.799 87 HD3 ARG 15 HD3 ARG 15 8.474 8.661 -8.372 88 HE ARG 15 HE ARG 15 10.735 7.280 -7.817 89 HH11 ARG 15 HH11 ARG 15 7.905 6.587 -9.724 90 HH12 ARG 15 HH12 ARG 15 8.752 5.582 -10.852 91 HH21 ARG 15 HH21 ARG 15 11.861 5.959 -9.297 92 HH22 ARG 15 HH22 ARG 15 11.002 5.224 -10.608 93 H LEU 16 H LEU 16 10.508 7.107 -2.299 94 HA LEU 16 HA LEU 16 11.048 9.955 -1.963 95 HB2 LEU 16 HB2 LEU 16 11.740 7.476 -0.466 96 HB3 LEU 16 HB3 LEU 16 12.781 8.887 -0.290 97 HG LEU 16 HG LEU 16 11.133 8.719 1.516 98 HD11 LEU 16 HD11 LEU 16 11.976 10.923 0.526 99 HD12 LEU 16 HD12 LEU 16 10.375 11.058 -0.202 100 HD13 LEU 16 HD13 LEU 16 10.543 10.977 1.552 101 HD21 LEU 16 HD21 LEU 16 9.341 7.602 0.324 102 HD22 LEU 16 HD22 LEU 16 8.755 9.110 1.026 103 HD23 LEU 16 HD23 LEU 16 9.107 9.019 -0.700 104 H GLN 17 H GLN 17 12.936 10.946 -2.533 105 HA GLN 17 HA GLN 17 14.373 9.995 -4.721 106 HB2 GLN 17 HB2 GLN 17 14.302 12.352 -4.230 107 HB3 GLN 17 HB3 GLN 17 15.096 12.101 -2.682 108 HG2 GLN 17 HG2 GLN 17 17.141 11.465 -3.779 109 HG3 GLN 17 HG3 GLN 17 16.359 11.550 -5.356 110 HE21 GLN 17 HE21 GLN 17 18.455 13.101 -3.485 111 HE22 GLN 17 HE22 GLN 17 18.181 14.736 -3.973 112 H SER 18 H SER 18 15.030 9.746 -1.276 113 HA SER 18 HA SER 18 17.669 8.911 -1.315 114 HB2 SER 18 HB2 SER 18 16.464 9.408 0.760 115 HB3 SER 18 HB3 SER 18 15.456 7.979 0.531 116 HG SER 18 HG SER 18 18.201 8.134 1.156 117 H GLY 19 H GLY 19 14.733 7.086 -1.961 118 HA2 GLY 19 HA2 GLY 19 15.016 5.272 -3.624 119 HA3 GLY 19 HA3 GLY 19 16.430 4.782 -2.702 120 H ALA 20 H ALA 20 13.314 5.792 -1.389 121 HA ALA 20 HA ALA 20 12.828 3.021 -0.527 122 HB1 ALA 20 HB1 ALA 20 12.054 3.893 1.664 123 HB2 ALA 20 HB2 ALA 20 13.776 4.142 1.376 124 HB3 ALA 20 HB3 ALA 20 12.650 5.487 1.199 125 H TRP 21 H TRP 21 10.543 2.749 0.304 126 HA TRP 21 HA TRP 21 8.724 4.243 -1.458 127 HB2 TRP 21 HB2 TRP 21 8.238 1.564 -0.145 128 HB3 TRP 21 HB3 TRP 21 7.256 2.329 -1.390 129 HD1 TRP 21 HD1 TRP 21 9.669 -0.320 -1.088 130 HE1 TRP 21 HE1 TRP 21 10.844 -0.817 -3.323 131 HE3 TRP 21 HE3 TRP 21 8.383 3.918 -3.641 132 HZ2 TRP 21 HZ2 TRP 21 11.181 0.423 -5.836 133 HZ3 TRP 21 HZ3 TRP 21 9.173 4.186 -5.955 134 HH2 TRP 21 HH2 TRP 21 10.543 2.474 -7.029 135 H GLY 22 H GLY 22 7.661 5.817 -0.450 136 HA2 GLY 22 HA2 GLY 22 6.857 5.381 2.358 137 HA3 GLY 22 HA3 GLY 22 7.171 6.957 1.648 138 H CYS 23 H CYS 23 4.994 7.284 2.711 139 HA CYS 23 HA CYS 23 2.937 6.916 0.668 140 HB2 CYS 23 HB2 CYS 23 2.877 5.148 2.619 141 HB3 CYS 23 HB3 CYS 23 2.152 6.475 3.521 142 H CYS 24 H CYS 24 2.013 8.801 0.246 143 HA CYS 24 HA CYS 24 2.308 10.990 2.159 144 HB2 CYS 24 HB2 CYS 24 1.236 11.137 -0.662 145 HB3 CYS 24 HB3 CYS 24 1.815 12.467 0.336 Start of MODEL 8 1 H1 CYS 1 H CYS 1 4.145 1.715 -0.877 2 HA CYS 1 HA CYS 1 2.203 -0.270 -1.628 3 HB2 CYS 1 HB2 CYS 1 4.136 1.475 -3.122 4 HB3 CYS 1 HB3 CYS 1 3.326 0.146 -3.944 5 H ASP 2 H ASP 2 3.989 -1.457 0.070 6 HA ASP 2 HA ASP 2 5.088 -3.524 -1.644 7 HB2 ASP 2 HB2 ASP 2 6.813 -1.963 0.289 8 HB3 ASP 2 HB3 ASP 2 7.294 -3.476 -0.474 9 H MET 3 H MET 3 6.155 -5.270 -0.140 10 HA MET 3 HA MET 3 4.112 -6.162 1.616 11 HB2 MET 3 HB2 MET 3 6.829 -7.157 0.852 12 HB3 MET 3 HB3 MET 3 6.003 -7.879 2.226 13 HG2 MET 3 HG2 MET 3 4.021 -8.053 0.497 14 HG3 MET 3 HG3 MET 3 5.345 -7.995 -0.664 15 HE1 MET 3 HE1 MET 3 4.652 -9.885 -1.633 16 HE2 MET 3 HE2 MET 3 6.010 -10.995 -1.442 17 HE3 MET 3 HE3 MET 3 4.392 -11.485 -0.938 18 H GLU 4 H GLU 4 7.317 -4.757 2.123 19 HA GLU 4 HA GLU 4 7.393 -5.083 4.923 20 HB2 GLU 4 HB2 GLU 4 8.817 -3.278 2.995 21 HB3 GLU 4 HB3 GLU 4 9.030 -3.070 4.727 22 HG2 GLU 4 HG2 GLU 4 9.536 -5.645 3.259 23 HG3 GLU 4 HG3 GLU 4 10.778 -4.452 3.636 24 H VAL 5 H VAL 5 6.468 -2.294 2.916 25 HA VAL 5 HA VAL 5 4.929 -1.273 5.211 26 HB VAL 5 HB VAL 5 6.923 0.110 4.949 27 HG11 VAL 5 HG11 VAL 5 7.543 1.192 2.976 28 HG12 VAL 5 HG12 VAL 5 7.080 -0.423 2.441 29 HG13 VAL 5 HG13 VAL 5 5.968 0.930 2.227 30 HG21 VAL 5 HG21 VAL 5 5.808 2.296 4.659 31 HG22 VAL 5 HG22 VAL 5 4.386 1.461 4.032 32 HG23 VAL 5 HG23 VAL 5 4.899 1.200 5.700 33 H SER 6 H SER 6 2.899 -0.567 4.788 34 HA SER 6 HA SER 6 2.058 -0.338 1.984 35 HB2 SER 6 HB2 SER 6 1.505 -2.607 3.189 36 HB3 SER 6 HB3 SER 6 0.230 -1.661 3.957 37 HG SER 6 HG SER 6 -0.102 -2.805 1.776 38 H CYS 7 H CYS 7 -0.266 0.565 1.900 39 HA CYS 7 HA CYS 7 -0.722 2.498 4.061 40 HB2 CYS 7 HB2 CYS 7 -0.107 3.066 1.220 41 HB3 CYS 7 HB3 CYS 7 -1.427 3.996 1.923 42 HA PRO 8 HA PRO 8 -4.589 0.244 2.823 43 HB2 PRO 8 HB2 PRO 8 -5.366 -0.297 5.367 44 HB3 PRO 8 HB3 PRO 8 -4.273 -1.344 4.453 45 HG2 PRO 8 HG2 PRO 8 -3.629 0.721 6.523 46 HG3 PRO 8 HG3 PRO 8 -2.951 -0.905 6.315 47 HD2 PRO 8 HD2 PRO 8 -1.664 1.328 5.482 48 HD3 PRO 8 HD3 PRO 8 -1.517 -0.229 4.642 49 H ASP 9 H ASP 9 -3.930 2.681 5.288 50 HA ASP 9 HA ASP 9 -6.479 3.582 5.842 51 HB2 ASP 9 HB2 ASP 9 -3.940 5.206 5.573 52 HB3 ASP 9 HB3 ASP 9 -5.421 5.778 6.335 53 H GLY 10 H GLY 10 -4.533 4.094 2.988 54 HA2 GLY 10 HA2 GLY 10 -5.702 4.511 0.898 55 HA3 GLY 10 HA3 GLY 10 -6.809 5.543 1.792 56 H TYR 11 H TYR 11 -3.278 5.476 1.991 57 HA TYR 11 HA TYR 11 -3.244 8.333 1.410 58 HB2 TYR 11 HB2 TYR 11 -1.425 6.421 2.767 59 HB3 TYR 11 HB3 TYR 11 -0.665 7.771 1.933 60 HD1 TYR 11 HD1 TYR 11 -0.041 9.408 3.428 61 HD2 TYR 11 HD2 TYR 11 -3.763 7.430 4.003 62 HE1 TYR 11 HE1 TYR 11 -0.511 10.866 5.352 63 HE2 TYR 11 HE2 TYR 11 -4.244 8.883 5.929 64 HH TYR 11 HH TYR 11 -3.484 11.263 6.675 65 H THR 12 H THR 12 -1.279 9.098 0.107 66 HA THR 12 HA THR 12 -1.359 7.712 -2.451 67 HB THR 12 HB THR 12 0.061 10.306 -1.852 68 HG1 THR 12 HG1 THR 12 -2.649 9.890 -2.642 69 HG21 THR 12 HG21 THR 12 -0.659 10.627 -4.329 70 HG22 THR 12 HG22 THR 12 0.730 9.604 -3.964 71 HG23 THR 12 HG23 THR 12 -0.833 8.872 -4.326 72 H CYS 13 H CYS 13 0.356 6.765 -3.449 73 HA CYS 13 HA CYS 13 2.677 6.205 -1.787 74 HB2 CYS 13 HB2 CYS 13 1.404 4.966 -4.160 75 HB3 CYS 13 HB3 CYS 13 3.153 4.803 -4.040 76 H CYS 14 H CYS 14 4.511 7.296 -1.952 77 HA CYS 14 HA CYS 14 5.120 8.651 -4.498 78 HB2 CYS 14 HB2 CYS 14 5.946 9.636 -1.765 79 HB3 CYS 14 HB3 CYS 14 6.084 10.488 -3.300 80 H ARG 15 H ARG 15 7.604 9.368 -4.349 81 HA ARG 15 HA ARG 15 9.102 6.931 -3.640 82 HB2 ARG 15 HB2 ARG 15 9.233 8.738 -6.015 83 HB3 ARG 15 HB3 ARG 15 10.708 7.946 -5.478 84 HG2 ARG 15 HG2 ARG 15 9.904 6.469 -7.048 85 HG3 ARG 15 HG3 ARG 15 9.276 5.787 -5.547 86 HD2 ARG 15 HD2 ARG 15 7.480 5.751 -7.077 87 HD3 ARG 15 HD3 ARG 15 7.162 7.101 -5.988 88 HE ARG 15 HE ARG 15 8.570 7.999 -8.266 89 HH11 ARG 15 HH11 ARG 15 5.426 6.892 -7.263 90 HH12 ARG 15 HH12 ARG 15 4.579 7.782 -8.485 91 HH21 ARG 15 HH21 ARG 15 7.467 9.176 -9.878 92 HH22 ARG 15 HH22 ARG 15 5.741 9.080 -9.972 93 H LEU 16 H LEU 16 11.110 7.138 -2.671 94 HA LEU 16 HA LEU 16 11.716 9.824 -1.626 95 HB2 LEU 16 HB2 LEU 16 12.403 7.143 -0.433 96 HB3 LEU 16 HB3 LEU 16 12.756 8.717 0.276 97 HG LEU 16 HG LEU 16 9.974 7.655 -0.207 98 HD11 LEU 16 HD11 LEU 16 9.984 7.454 2.319 99 HD12 LEU 16 HD12 LEU 16 10.900 6.238 1.429 100 HD13 LEU 16 HD13 LEU 16 11.741 7.570 2.222 101 HD21 LEU 16 HD21 LEU 16 11.000 10.023 1.357 102 HD22 LEU 16 HD22 LEU 16 10.102 10.080 -0.160 103 HD23 LEU 16 HD23 LEU 16 9.323 9.478 1.303 104 H GLN 17 H GLN 17 13.635 10.713 -2.073 105 HA GLN 17 HA GLN 17 15.333 9.722 -4.030 106 HB2 GLN 17 HB2 GLN 17 15.131 12.108 -3.095 107 HB3 GLN 17 HB3 GLN 17 16.272 11.587 -1.863 108 HG2 GLN 17 HG2 GLN 17 17.559 12.638 -3.514 109 HG3 GLN 17 HG3 GLN 17 17.803 10.908 -3.754 110 HE21 GLN 17 HE21 GLN 17 17.859 10.379 -5.805 111 HE22 GLN 17 HE22 GLN 17 16.930 11.093 -7.074 112 H SER 18 H SER 18 15.467 9.360 -0.535 113 HA SER 18 HA SER 18 18.029 8.385 -0.199 114 HB2 SER 18 HB2 SER 18 17.329 7.564 1.879 115 HB3 SER 18 HB3 SER 18 16.167 8.849 1.551 116 HG SER 18 HG SER 18 14.936 7.146 2.119 117 H GLY 19 H GLY 19 15.159 6.729 -1.380 118 HA2 GLY 19 HA2 GLY 19 15.634 4.967 -3.058 119 HA3 GLY 19 HA3 GLY 19 16.854 4.373 -1.941 120 H ALA 20 H ALA 20 13.558 5.462 -1.235 121 HA ALA 20 HA ALA 20 12.753 2.710 -0.672 122 HB1 ALA 20 HB1 ALA 20 12.642 2.894 1.547 123 HB2 ALA 20 HB2 ALA 20 13.644 4.334 1.373 124 HB3 ALA 20 HB3 ALA 20 11.889 4.486 1.458 125 H TRP 21 H TRP 21 10.356 2.742 0.099 126 HA TRP 21 HA TRP 21 8.912 4.621 -1.650 127 HB2 TRP 21 HB2 TRP 21 8.508 1.738 -0.995 128 HB3 TRP 21 HB3 TRP 21 7.087 2.719 -1.342 129 HD1 TRP 21 HD1 TRP 21 10.307 1.438 -3.009 130 HE1 TRP 21 HE1 TRP 21 9.996 1.546 -5.562 131 HE3 TRP 21 HE3 TRP 21 5.802 3.848 -3.177 132 HZ2 TRP 21 HZ2 TRP 21 8.093 2.525 -7.403 133 HZ3 TRP 21 HZ3 TRP 21 4.805 4.334 -5.373 134 HH2 TRP 21 HH2 TRP 21 5.929 3.685 -7.442 135 H GLY 22 H GLY 22 8.000 6.211 -0.524 136 HA2 GLY 22 HA2 GLY 22 6.869 5.567 2.127 137 HA3 GLY 22 HA3 GLY 22 7.489 7.147 1.673 138 H CYS 23 H CYS 23 5.155 7.375 2.713 139 HA CYS 23 HA CYS 23 3.248 7.495 0.469 140 HB2 CYS 23 HB2 CYS 23 2.965 6.418 3.154 141 HB3 CYS 23 HB3 CYS 23 1.746 7.641 2.811 142 H CYS 24 H CYS 24 1.752 9.283 0.485 143 HA CYS 24 HA CYS 24 2.650 11.595 2.066 144 HB2 CYS 24 HB2 CYS 24 1.840 11.772 -0.838 145 HB3 CYS 24 HB3 CYS 24 2.537 13.043 0.162 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.072 0.194 0.416 2 HA CYS 1 HA CYS 1 -0.683 -0.409 -1.631 3 HB2 CYS 1 HB2 CYS 1 1.134 0.354 -3.170 4 HB3 CYS 1 HB3 CYS 1 0.832 1.453 -1.828 5 H ASP 2 H ASP 2 2.212 -2.119 -0.608 6 HA ASP 2 HA ASP 2 1.574 -4.234 -2.560 7 HB2 ASP 2 HB2 ASP 2 4.233 -3.202 -1.602 8 HB3 ASP 2 HB3 ASP 2 4.074 -4.820 -2.281 9 H MET 3 H MET 3 2.697 -6.384 -1.800 10 HA MET 3 HA MET 3 1.368 -7.237 0.511 11 HB2 MET 3 HB2 MET 3 2.451 -8.545 -1.529 12 HB3 MET 3 HB3 MET 3 3.797 -8.701 -0.409 13 HG2 MET 3 HG2 MET 3 2.312 -9.739 1.230 14 HG3 MET 3 HG3 MET 3 0.968 -9.589 0.100 15 HE1 MET 3 HE1 MET 3 0.450 -10.701 -1.632 16 HE2 MET 3 HE2 MET 3 1.497 -11.646 -2.690 17 HE3 MET 3 HE3 MET 3 0.577 -12.446 -1.416 18 H GLU 4 H GLU 4 4.680 -6.146 0.004 19 HA GLU 4 HA GLU 4 5.650 -6.851 2.571 20 HB2 GLU 4 HB2 GLU 4 7.120 -6.391 0.642 21 HB3 GLU 4 HB3 GLU 4 6.637 -4.701 0.689 22 HG2 GLU 4 HG2 GLU 4 7.720 -4.346 2.754 23 HG3 GLU 4 HG3 GLU 4 7.942 -6.074 3.017 24 H VAL 5 H VAL 5 5.214 -3.538 1.340 25 HA VAL 5 HA VAL 5 4.579 -2.675 4.067 26 HB VAL 5 HB VAL 5 6.379 -1.492 2.815 27 HG11 VAL 5 HG11 VAL 5 4.499 0.066 1.204 28 HG12 VAL 5 HG12 VAL 5 6.092 -0.570 0.793 29 HG13 VAL 5 HG13 VAL 5 4.672 -1.611 0.688 30 HG21 VAL 5 HG21 VAL 5 4.027 0.295 3.411 31 HG22 VAL 5 HG22 VAL 5 5.038 -0.446 4.651 32 HG23 VAL 5 HG23 VAL 5 5.740 0.702 3.512 33 H SER 6 H SER 6 2.682 -1.698 4.617 34 HA SER 6 HA SER 6 0.618 -1.536 2.518 35 HB2 SER 6 HB2 SER 6 -1.036 -2.112 4.306 36 HB3 SER 6 HB3 SER 6 0.105 -3.410 3.958 37 HG SER 6 HG SER 6 1.209 -2.925 5.821 38 H CYS 7 H CYS 7 -0.507 0.315 2.361 39 HA CYS 7 HA CYS 7 0.009 2.385 4.394 40 HB2 CYS 7 HB2 CYS 7 -0.271 2.523 1.412 41 HB3 CYS 7 HB3 CYS 7 -0.669 3.930 2.392 42 HA PRO 8 HA PRO 8 -4.527 1.402 4.530 43 HB2 PRO 8 HB2 PRO 8 -4.679 1.390 7.240 44 HB3 PRO 8 HB3 PRO 8 -4.236 -0.037 6.297 45 HG2 PRO 8 HG2 PRO 8 -2.472 1.896 7.751 46 HG3 PRO 8 HG3 PRO 8 -2.376 0.126 7.683 47 HD2 PRO 8 HD2 PRO 8 -0.791 1.729 6.183 48 HD3 PRO 8 HD3 PRO 8 -1.339 0.135 5.625 49 H ASP 9 H ASP 9 -2.527 3.724 6.276 50 HA ASP 9 HA ASP 9 -4.439 5.452 7.259 51 HB2 ASP 9 HB2 ASP 9 -1.678 5.977 6.165 52 HB3 ASP 9 HB3 ASP 9 -2.662 7.252 6.878 53 H GLY 10 H GLY 10 -3.348 5.018 3.970 54 HA2 GLY 10 HA2 GLY 10 -4.909 5.578 2.193 55 HA3 GLY 10 HA3 GLY 10 -5.367 6.997 3.123 56 H TYR 11 H TYR 11 -2.103 5.810 2.453 57 HA TYR 11 HA TYR 11 -1.577 8.346 1.049 58 HB2 TYR 11 HB2 TYR 11 0.271 6.594 2.678 59 HB3 TYR 11 HB3 TYR 11 0.815 7.964 1.716 60 HD1 TYR 11 HD1 TYR 11 -0.790 10.155 2.213 61 HD2 TYR 11 HD2 TYR 11 0.149 7.020 4.933 62 HE1 TYR 11 HE1 TYR 11 -1.240 11.666 4.101 63 HE2 TYR 11 HE2 TYR 11 -0.300 8.522 6.828 64 HH TYR 11 HH TYR 11 -1.898 10.808 7.026 65 H THR 12 H THR 12 -0.203 8.318 -0.780 66 HA THR 12 HA THR 12 -0.398 5.843 -2.305 67 HB THR 12 HB THR 12 0.740 8.405 -3.384 68 HG1 THR 12 HG1 THR 12 -1.194 9.304 -3.440 69 HG21 THR 12 HG21 THR 12 -0.488 7.536 -5.433 70 HG22 THR 12 HG22 THR 12 0.908 6.598 -4.902 71 HG23 THR 12 HG23 THR 12 -0.723 6.038 -4.534 72 H CYS 13 H CYS 13 1.312 4.671 -3.049 73 HA CYS 13 HA CYS 13 3.829 5.035 -1.696 74 HB2 CYS 13 HB2 CYS 13 2.587 2.937 -3.398 75 HB3 CYS 13 HB3 CYS 13 4.346 2.996 -3.354 76 H CYS 14 H CYS 14 5.257 6.467 -2.411 77 HA CYS 14 HA CYS 14 5.843 6.540 -5.288 78 HB2 CYS 14 HB2 CYS 14 5.977 8.943 -5.297 79 HB3 CYS 14 HB3 CYS 14 4.404 8.485 -4.652 80 H ARG 15 H ARG 15 7.919 8.070 -5.530 81 HA ARG 15 HA ARG 15 9.897 6.961 -3.659 82 HB2 ARG 15 HB2 ARG 15 11.532 7.525 -5.519 83 HB3 ARG 15 HB3 ARG 15 10.391 6.229 -5.852 84 HG2 ARG 15 HG2 ARG 15 9.621 8.969 -6.673 85 HG3 ARG 15 HG3 ARG 15 10.894 8.162 -7.591 86 HD2 ARG 15 HD2 ARG 15 9.485 6.553 -8.395 87 HD3 ARG 15 HD3 ARG 15 8.423 6.628 -6.990 88 HE ARG 15 HE ARG 15 8.314 9.020 -8.537 89 HH11 ARG 15 HH11 ARG 15 7.168 5.737 -8.374 90 HH12 ARG 15 HH12 ARG 15 5.726 6.057 -9.279 91 HH21 ARG 15 HH21 ARG 15 6.420 9.455 -9.731 92 HH22 ARG 15 HH22 ARG 15 5.302 8.172 -10.052 93 H LEU 16 H LEU 16 11.190 8.264 -2.487 94 HA LEU 16 HA LEU 16 10.628 11.118 -2.555 95 HB2 LEU 16 HB2 LEU 16 12.009 9.286 -0.633 96 HB3 LEU 16 HB3 LEU 16 12.230 11.030 -0.519 97 HG LEU 16 HG LEU 16 9.567 10.969 -0.518 98 HD11 LEU 16 HD11 LEU 16 10.256 8.235 -0.307 99 HD12 LEU 16 HD12 LEU 16 9.628 8.748 1.259 100 HD13 LEU 16 HD13 LEU 16 8.659 8.976 -0.197 101 HD21 LEU 16 HD21 LEU 16 9.677 11.437 1.745 102 HD22 LEU 16 HD22 LEU 16 10.959 10.261 2.032 103 HD23 LEU 16 HD23 LEU 16 11.323 11.779 1.212 104 H GLN 17 H GLN 17 12.218 12.721 -2.761 105 HA GLN 17 HA GLN 17 14.105 12.390 -4.746 106 HB2 GLN 17 HB2 GLN 17 15.154 14.505 -3.764 107 HB3 GLN 17 HB3 GLN 17 13.468 14.598 -4.254 108 HG2 GLN 17 HG2 GLN 17 13.868 13.820 -1.463 109 HG3 GLN 17 HG3 GLN 17 14.454 15.433 -1.865 110 HE21 GLN 17 HE21 GLN 17 12.734 16.439 -3.575 111 HE22 GLN 17 HE22 GLN 17 11.132 16.494 -2.931 112 H SER 18 H SER 18 14.448 11.969 -1.276 113 HA SER 18 HA SER 18 17.197 11.891 -1.015 114 HB2 SER 18 HB2 SER 18 15.515 11.734 0.848 115 HB3 SER 18 HB3 SER 18 15.281 10.040 0.418 116 HG SER 18 HG SER 18 17.761 11.209 1.158 117 H GLY 19 H GLY 19 15.006 9.419 -2.224 118 HA2 GLY 19 HA2 GLY 19 15.851 7.909 -3.933 119 HA3 GLY 19 HA3 GLY 19 17.371 7.859 -3.052 120 H ALA 20 H ALA 20 14.024 7.498 -1.913 121 HA ALA 20 HA ALA 20 14.509 4.684 -1.328 122 HB1 ALA 20 HB1 ALA 20 14.813 6.655 0.653 123 HB2 ALA 20 HB2 ALA 20 13.286 5.839 0.988 124 HB3 ALA 20 HB3 ALA 20 14.776 4.904 0.863 125 H TRP 21 H TRP 21 12.504 3.605 -0.510 126 HA TRP 21 HA TRP 21 10.212 4.641 -1.991 127 HB2 TRP 21 HB2 TRP 21 9.259 2.367 -1.604 128 HB3 TRP 21 HB3 TRP 21 10.797 2.347 -2.461 129 HD1 TRP 21 HD1 TRP 21 12.878 1.247 -1.231 130 HE1 TRP 21 HE1 TRP 21 13.073 -0.265 0.842 131 HE3 TRP 21 HE3 TRP 21 8.203 1.937 0.719 132 HZ2 TRP 21 HZ2 TRP 21 11.458 -1.061 3.017 133 HZ3 TRP 21 HZ3 TRP 21 7.607 0.764 2.798 134 HH2 TRP 21 HH2 TRP 21 9.202 -0.704 3.921 135 H GLY 22 H GLY 22 8.371 5.350 -1.069 136 HA2 GLY 22 HA2 GLY 22 7.588 4.650 1.593 137 HA3 GLY 22 HA3 GLY 22 8.252 6.275 1.516 138 H CYS 23 H CYS 23 5.723 6.054 2.359 139 HA CYS 23 HA CYS 23 3.959 6.495 0.071 140 HB2 CYS 23 HB2 CYS 23 3.620 5.496 2.751 141 HB3 CYS 23 HB3 CYS 23 2.532 6.853 2.477 142 H CYS 24 H CYS 24 3.116 8.432 -0.470 143 HA CYS 24 HA CYS 24 3.687 10.721 1.291 144 HB2 CYS 24 HB2 CYS 24 4.047 12.071 -0.807 145 HB3 CYS 24 HB3 CYS 24 5.295 10.876 -0.471 Start of MODEL 10 1 H1 CYS 1 H CYS 1 5.015 1.608 -1.919 2 HA CYS 1 HA CYS 1 3.266 0.417 0.132 3 HB2 CYS 1 HB2 CYS 1 1.561 0.240 -1.751 4 HB3 CYS 1 HB3 CYS 1 1.869 1.858 -1.128 5 H ASP 2 H ASP 2 3.550 -1.691 0.347 6 HA ASP 2 HA ASP 2 3.895 -3.381 -1.983 7 HB2 ASP 2 HB2 ASP 2 6.006 -3.148 0.165 8 HB3 ASP 2 HB3 ASP 2 5.897 -4.520 -0.933 9 H MET 3 H MET 3 4.056 -5.755 -1.246 10 HA MET 3 HA MET 3 1.778 -6.446 0.153 11 HB2 MET 3 HB2 MET 3 3.378 -7.865 -1.350 12 HB3 MET 3 HB3 MET 3 4.162 -8.262 0.173 13 HG2 MET 3 HG2 MET 3 2.153 -9.233 1.030 14 HG3 MET 3 HG3 MET 3 1.234 -8.673 -0.365 15 HE1 MET 3 HE1 MET 3 2.992 -11.149 1.378 16 HE2 MET 3 HE2 MET 3 1.793 -12.214 0.645 17 HE3 MET 3 HE3 MET 3 3.503 -12.426 0.273 18 H GLU 4 H GLU 4 5.121 -6.291 1.344 19 HA GLU 4 HA GLU 4 4.521 -7.129 3.979 20 HB2 GLU 4 HB2 GLU 4 6.806 -6.998 2.769 21 HB3 GLU 4 HB3 GLU 4 6.822 -5.321 3.295 22 HG2 GLU 4 HG2 GLU 4 6.863 -5.922 5.565 23 HG3 GLU 4 HG3 GLU 4 6.422 -7.591 5.213 24 H VAL 5 H VAL 5 5.357 -3.871 2.781 25 HA VAL 5 HA VAL 5 3.990 -2.734 5.117 26 HB VAL 5 HB VAL 5 5.837 -1.357 3.163 27 HG11 VAL 5 HG11 VAL 5 5.902 0.169 5.358 28 HG12 VAL 5 HG12 VAL 5 4.745 0.420 4.051 29 HG13 VAL 5 HG13 VAL 5 4.261 -0.461 5.500 30 HG21 VAL 5 HG21 VAL 5 7.141 -1.420 5.560 31 HG22 VAL 5 HG22 VAL 5 6.349 -2.996 5.534 32 HG23 VAL 5 HG23 VAL 5 7.430 -2.530 4.221 33 H SER 6 H SER 6 1.877 -2.500 4.655 34 HA SER 6 HA SER 6 1.097 -1.425 2.045 35 HB2 SER 6 HB2 SER 6 -1.253 -1.979 2.932 36 HB3 SER 6 HB3 SER 6 -0.189 -3.336 2.561 37 HG SER 6 HG SER 6 -1.298 -2.624 4.921 38 H CYS 7 H CYS 7 -0.681 0.200 2.029 39 HA CYS 7 HA CYS 7 -0.293 2.152 4.203 40 HB2 CYS 7 HB2 CYS 7 -0.497 2.447 1.246 41 HB3 CYS 7 HB3 CYS 7 -1.192 3.722 2.242 42 HA PRO 8 HA PRO 8 -4.739 0.819 4.302 43 HB2 PRO 8 HB2 PRO 8 -4.855 0.602 7.005 44 HB3 PRO 8 HB3 PRO 8 -4.317 -0.717 5.958 45 HG2 PRO 8 HG2 PRO 8 -2.685 1.236 7.534 46 HG3 PRO 8 HG3 PRO 8 -2.457 -0.512 7.338 47 HD2 PRO 8 HD2 PRO 8 -1.017 1.310 5.946 48 HD3 PRO 8 HD3 PRO 8 -1.451 -0.277 5.278 49 H ASP 9 H ASP 9 -2.898 3.154 6.197 50 HA ASP 9 HA ASP 9 -4.922 4.657 7.317 51 HB2 ASP 9 HB2 ASP 9 -2.340 5.710 6.141 52 HB3 ASP 9 HB3 ASP 9 -3.347 6.532 7.331 53 H GLY 10 H GLY 10 -3.841 4.546 3.998 54 HA2 GLY 10 HA2 GLY 10 -5.459 5.114 2.276 55 HA3 GLY 10 HA3 GLY 10 -6.013 6.422 3.310 56 H TYR 11 H TYR 11 -2.676 5.540 2.537 57 HA TYR 11 HA TYR 11 -2.272 8.262 1.532 58 HB2 TYR 11 HB2 TYR 11 -0.385 6.151 2.561 59 HB3 TYR 11 HB3 TYR 11 0.192 7.581 1.713 60 HD1 TYR 11 HD1 TYR 11 -0.870 9.859 2.671 61 HD2 TYR 11 HD2 TYR 11 -0.411 6.240 4.862 62 HE1 TYR 11 HE1 TYR 11 -0.923 11.133 4.774 63 HE2 TYR 11 HE2 TYR 11 -0.464 7.504 6.971 64 HH TYR 11 HH TYR 11 -0.117 9.706 7.806 65 H THR 12 H THR 12 -0.940 8.596 -0.367 66 HA THR 12 HA THR 12 -1.589 6.668 -2.448 67 HB THR 12 HB THR 12 -0.561 8.473 -3.953 68 HG1 THR 12 HG1 THR 12 -0.800 10.595 -2.692 69 HG21 THR 12 HG21 THR 12 -3.112 8.207 -2.780 70 HG22 THR 12 HG22 THR 12 -2.743 9.932 -2.802 71 HG23 THR 12 HG23 THR 12 -2.698 9.002 -4.299 72 H CYS 13 H CYS 13 0.049 6.119 -4.093 73 HA CYS 13 HA CYS 13 2.541 5.367 -2.788 74 HB2 CYS 13 HB2 CYS 13 1.312 4.586 -5.437 75 HB3 CYS 13 HB3 CYS 13 2.889 4.025 -4.892 76 H CYS 14 H CYS 14 4.346 6.495 -3.019 77 HA CYS 14 HA CYS 14 4.939 7.822 -5.539 78 HB2 CYS 14 HB2 CYS 14 5.324 9.986 -4.588 79 HB3 CYS 14 HB3 CYS 14 3.707 9.484 -4.105 80 H ARG 15 H ARG 15 7.188 9.044 -5.170 81 HA ARG 15 HA ARG 15 8.935 7.127 -3.771 82 HB2 ARG 15 HB2 ARG 15 10.655 7.660 -5.461 83 HB3 ARG 15 HB3 ARG 15 9.212 6.954 -6.175 84 HG2 ARG 15 HG2 ARG 15 8.459 9.207 -6.822 85 HG3 ARG 15 HG3 ARG 15 9.957 9.870 -6.166 86 HD2 ARG 15 HD2 ARG 15 11.163 8.277 -7.743 87 HD3 ARG 15 HD3 ARG 15 9.599 8.036 -8.520 88 HE ARG 15 HE ARG 15 9.886 10.734 -8.481 89 HH11 ARG 15 HH11 ARG 15 11.869 8.108 -9.617 90 HH12 ARG 15 HH12 ARG 15 12.599 9.036 -10.885 91 HH21 ARG 15 HH21 ARG 15 10.840 11.966 -10.147 92 HH22 ARG 15 HH22 ARG 15 12.014 11.230 -11.185 93 H LEU 16 H LEU 16 10.933 7.983 -2.906 94 HA LEU 16 HA LEU 16 10.562 10.692 -1.869 95 HB2 LEU 16 HB2 LEU 16 12.104 8.294 -0.997 96 HB3 LEU 16 HB3 LEU 16 12.632 9.889 -0.466 97 HG LEU 16 HG LEU 16 11.240 8.756 1.208 98 HD11 LEU 16 HD11 LEU 16 9.913 11.165 -0.027 99 HD12 LEU 16 HD12 LEU 16 9.704 10.595 1.629 100 HD13 LEU 16 HD13 LEU 16 11.273 11.198 1.094 101 HD21 LEU 16 HD21 LEU 16 9.837 7.665 -0.722 102 HD22 LEU 16 HD22 LEU 16 9.101 8.014 0.842 103 HD23 LEU 16 HD23 LEU 16 8.837 9.104 -0.519 104 H GLN 17 H GLN 17 12.179 12.270 -1.967 105 HA GLN 17 HA GLN 17 13.544 12.548 -4.356 106 HB2 GLN 17 HB2 GLN 17 12.999 14.279 -2.484 107 HB3 GLN 17 HB3 GLN 17 14.577 13.833 -1.850 108 HG2 GLN 17 HG2 GLN 17 14.102 14.829 -4.647 109 HG3 GLN 17 HG3 GLN 17 14.580 15.852 -3.293 110 HE21 GLN 17 HE21 GLN 17 15.920 15.130 -5.852 111 HE22 GLN 17 HE22 GLN 17 17.478 14.545 -5.390 112 H SER 18 H SER 18 14.706 11.294 -1.261 113 HA SER 18 HA SER 18 17.410 11.085 -1.803 114 HB2 SER 18 HB2 SER 18 15.559 9.406 -0.123 115 HB3 SER 18 HB3 SER 18 17.279 9.033 -0.238 116 HG SER 18 HG SER 18 17.079 10.383 1.481 117 H GLY 19 H GLY 19 14.765 8.993 -2.804 118 HA2 GLY 19 HA2 GLY 19 15.072 7.901 -4.992 119 HA3 GLY 19 HA3 GLY 19 16.698 7.494 -4.465 120 H ALA 20 H ALA 20 13.678 7.249 -2.634 121 HA ALA 20 HA ALA 20 13.965 4.320 -2.669 122 HB1 ALA 20 HB1 ALA 20 13.863 4.112 -0.393 123 HB2 ALA 20 HB2 ALA 20 14.740 5.636 -0.523 124 HB3 ALA 20 HB3 ALA 20 13.010 5.641 -0.179 125 H TRP 21 H TRP 21 11.851 3.467 -1.353 126 HA TRP 21 HA TRP 21 9.590 4.593 -2.854 127 HB2 TRP 21 HB2 TRP 21 8.516 2.411 -2.569 128 HB3 TRP 21 HB3 TRP 21 10.105 2.233 -3.310 129 HD1 TRP 21 HD1 TRP 21 11.855 0.753 -2.065 130 HE1 TRP 21 HE1 TRP 21 11.798 -0.660 0.085 131 HE3 TRP 21 HE3 TRP 21 7.422 2.404 -0.126 132 HZ2 TRP 21 HZ2 TRP 21 10.099 -1.027 2.309 133 HZ3 TRP 21 HZ3 TRP 21 6.652 1.471 2.017 134 HH2 TRP 21 HH2 TRP 21 7.964 -0.209 3.207 135 H GLY 22 H GLY 22 7.486 4.661 -1.808 136 HA2 GLY 22 HA2 GLY 22 6.947 4.228 0.866 137 HA3 GLY 22 HA3 GLY 22 7.641 5.840 0.784 138 H CYS 23 H CYS 23 5.333 6.092 1.738 139 HA CYS 23 HA CYS 23 3.371 6.395 -0.427 140 HB2 CYS 23 HB2 CYS 23 3.195 5.667 2.385 141 HB3 CYS 23 HB3 CYS 23 2.083 6.969 1.972 142 H CYS 24 H CYS 24 1.883 8.326 -0.163 143 HA CYS 24 HA CYS 24 3.382 10.684 0.764 144 HB2 CYS 24 HB2 CYS 24 2.281 10.090 -1.917 145 HB3 CYS 24 HB3 CYS 24 1.978 11.715 -1.310 Start of MODEL 11 1 H1 CYS 1 H CYS 1 1.313 0.139 -1.295 2 HA CYS 1 HA CYS 1 2.752 -0.546 -3.386 3 HB2 CYS 1 HB2 CYS 1 3.560 -0.087 -0.567 4 HB3 CYS 1 HB3 CYS 1 4.788 -0.751 -1.640 5 H ASP 2 H ASP 2 2.726 -2.598 -0.475 6 HA ASP 2 HA ASP 2 2.753 -5.002 -1.993 7 HB2 ASP 2 HB2 ASP 2 5.195 -4.030 -2.040 8 HB3 ASP 2 HB3 ASP 2 5.270 -4.676 -0.403 9 H MET 3 H MET 3 3.185 -6.940 -0.484 10 HA MET 3 HA MET 3 1.398 -6.793 1.671 11 HB2 MET 3 HB2 MET 3 2.186 -8.848 0.330 12 HB3 MET 3 HB3 MET 3 3.544 -8.889 1.446 13 HG2 MET 3 HG2 MET 3 2.237 -9.483 3.234 14 HG3 MET 3 HG3 MET 3 0.778 -8.781 2.538 15 HE1 MET 3 HE1 MET 3 0.234 -9.466 0.141 16 HE2 MET 3 HE2 MET 3 0.418 -11.084 -0.536 17 HE3 MET 3 HE3 MET 3 -0.901 -10.742 0.583 18 H GLU 4 H GLU 4 4.953 -6.948 1.639 19 HA GLU 4 HA GLU 4 5.368 -6.920 4.393 20 HB2 GLU 4 HB2 GLU 4 7.004 -6.054 2.041 21 HB3 GLU 4 HB3 GLU 4 7.573 -5.695 3.665 22 HG2 GLU 4 HG2 GLU 4 7.351 -8.135 4.182 23 HG3 GLU 4 HG3 GLU 4 7.034 -8.398 2.469 24 H VAL 5 H VAL 5 5.128 -4.200 2.122 25 HA VAL 5 HA VAL 5 4.679 -2.428 4.435 26 HB VAL 5 HB VAL 5 5.588 -0.582 2.956 27 HG11 VAL 5 HG11 VAL 5 7.690 -0.831 3.837 28 HG12 VAL 5 HG12 VAL 5 6.796 -1.992 4.819 29 HG13 VAL 5 HG13 VAL 5 7.765 -2.551 3.455 30 HG21 VAL 5 HG21 VAL 5 7.284 -2.365 1.432 31 HG22 VAL 5 HG22 VAL 5 5.580 -2.586 1.034 32 HG23 VAL 5 HG23 VAL 5 6.319 -0.991 0.891 33 H SER 6 H SER 6 2.607 -1.874 4.491 34 HA SER 6 HA SER 6 1.204 -1.405 1.943 35 HB2 SER 6 HB2 SER 6 0.137 -2.292 4.630 36 HB3 SER 6 HB3 SER 6 -0.891 -1.819 3.278 37 HG SER 6 HG SER 6 -0.498 -3.664 2.339 38 H CYS 7 H CYS 7 -0.865 0.062 2.504 39 HA CYS 7 HA CYS 7 0.092 2.388 4.034 40 HB2 CYS 7 HB2 CYS 7 0.161 2.471 1.394 41 HB3 CYS 7 HB3 CYS 7 -1.559 2.798 1.576 42 HA PRO 8 HA PRO 8 -4.138 1.082 5.437 43 HB2 PRO 8 HB2 PRO 8 -3.570 1.266 8.085 44 HB3 PRO 8 HB3 PRO 8 -3.261 -0.192 7.135 45 HG2 PRO 8 HG2 PRO 8 -1.362 1.971 7.956 46 HG3 PRO 8 HG3 PRO 8 -1.125 0.214 7.960 47 HD2 PRO 8 HD2 PRO 8 -0.145 1.811 6.006 48 HD3 PRO 8 HD3 PRO 8 -0.671 0.143 5.702 49 H ASP 9 H ASP 9 -1.971 3.672 6.455 50 HA ASP 9 HA ASP 9 -3.707 5.323 7.822 51 HB2 ASP 9 HB2 ASP 9 -1.365 5.925 6.030 52 HB3 ASP 9 HB3 ASP 9 -2.264 7.216 6.823 53 H GLY 10 H GLY 10 -3.482 4.727 4.387 54 HA2 GLY 10 HA2 GLY 10 -5.393 5.037 2.977 55 HA3 GLY 10 HA3 GLY 10 -5.900 6.359 4.017 56 H TYR 11 H TYR 11 -2.692 5.801 2.638 57 HA TYR 11 HA TYR 11 -3.017 8.299 1.106 58 HB2 TYR 11 HB2 TYR 11 -0.829 7.355 2.880 59 HB3 TYR 11 HB3 TYR 11 -0.353 8.208 1.416 60 HD1 TYR 11 HD1 TYR 11 -2.161 10.336 1.051 61 HD2 TYR 11 HD2 TYR 11 -0.744 8.726 4.726 62 HE1 TYR 11 HE1 TYR 11 -2.602 12.488 2.157 63 HE2 TYR 11 HE2 TYR 11 -1.182 10.873 5.842 64 HH TYR 11 HH TYR 11 -2.871 12.904 5.328 65 H THR 12 H THR 12 -1.244 8.441 -0.658 66 HA THR 12 HA THR 12 -1.410 5.963 -2.205 67 HB THR 12 HB THR 12 -0.390 8.578 -3.280 68 HG1 THR 12 HG1 THR 12 -3.116 7.767 -3.046 69 HG21 THR 12 HG21 THR 12 -1.394 6.007 -4.368 70 HG22 THR 12 HG22 THR 12 -1.811 7.473 -5.256 71 HG23 THR 12 HG23 THR 12 -0.119 7.069 -4.966 72 H CYS 13 H CYS 13 0.431 5.190 -3.398 73 HA CYS 13 HA CYS 13 2.848 5.287 -1.830 74 HB2 CYS 13 HB2 CYS 13 1.853 3.681 -4.138 75 HB3 CYS 13 HB3 CYS 13 3.593 3.771 -3.884 76 H CYS 14 H CYS 14 4.184 6.957 -2.044 77 HA CYS 14 HA CYS 14 4.699 7.997 -4.753 78 HB2 CYS 14 HB2 CYS 14 4.481 9.368 -2.099 79 HB3 CYS 14 HB3 CYS 14 5.516 10.060 -3.344 80 H ARG 15 H ARG 15 6.931 9.290 -4.644 81 HA ARG 15 HA ARG 15 8.899 7.368 -3.596 82 HB2 ARG 15 HB2 ARG 15 9.049 9.239 -5.963 83 HB3 ARG 15 HB3 ARG 15 10.412 8.303 -5.365 84 HG2 ARG 15 HG2 ARG 15 8.979 6.246 -5.729 85 HG3 ARG 15 HG3 ARG 15 7.878 7.299 -6.620 86 HD2 ARG 15 HD2 ARG 15 10.811 7.001 -7.247 87 HD3 ARG 15 HD3 ARG 15 9.535 6.079 -8.041 88 HE ARG 15 HE ARG 15 9.027 8.868 -8.193 89 HH11 ARG 15 HH11 ARG 15 10.987 6.333 -9.555 90 HH12 ARG 15 HH12 ARG 15 11.190 7.131 -11.080 91 HH21 ARG 15 HH21 ARG 15 9.287 9.928 -10.196 92 HH22 ARG 15 HH22 ARG 15 10.223 9.176 -11.443 93 H LEU 16 H LEU 16 10.780 8.127 -2.593 94 HA LEU 16 HA LEU 16 10.539 10.850 -1.516 95 HB2 LEU 16 HB2 LEU 16 12.182 8.551 -0.470 96 HB3 LEU 16 HB3 LEU 16 11.920 10.104 0.320 97 HG LEU 16 HG LEU 16 9.602 8.306 -0.276 98 HD11 LEU 16 HD11 LEU 16 11.733 7.898 1.738 99 HD12 LEU 16 HD12 LEU 16 10.065 7.682 2.271 100 HD13 LEU 16 HD13 LEU 16 10.693 6.726 0.929 101 HD21 LEU 16 HD21 LEU 16 10.075 10.181 2.028 102 HD22 LEU 16 HD22 LEU 16 9.367 10.701 0.499 103 HD23 LEU 16 HD23 LEU 16 8.550 9.485 1.481 104 H GLN 17 H GLN 17 12.079 12.346 -1.859 105 HA GLN 17 HA GLN 17 13.893 12.124 -3.948 106 HB2 GLN 17 HB2 GLN 17 13.110 14.273 -3.075 107 HB3 GLN 17 HB3 GLN 17 13.993 13.999 -1.579 108 HG2 GLN 17 HG2 GLN 17 16.050 14.343 -2.573 109 HG3 GLN 17 HG3 GLN 17 15.435 14.013 -4.192 110 HE21 GLN 17 HE21 GLN 17 16.879 16.130 -4.163 111 HE22 GLN 17 HE22 GLN 17 15.960 17.593 -4.130 112 H SER 18 H SER 18 14.355 11.594 -0.493 113 HA SER 18 HA SER 18 17.114 11.419 -0.377 114 HB2 SER 18 HB2 SER 18 15.086 9.768 1.151 115 HB3 SER 18 HB3 SER 18 16.782 9.958 1.591 116 HG SER 18 HG SER 18 16.378 12.210 1.805 117 H GLY 19 H GLY 19 14.767 9.041 -1.478 118 HA2 GLY 19 HA2 GLY 19 15.577 7.559 -3.282 119 HA3 GLY 19 HA3 GLY 19 17.026 7.328 -2.315 120 H ALA 20 H ALA 20 13.612 7.297 -1.343 121 HA ALA 20 HA ALA 20 13.794 4.427 -0.813 122 HB1 ALA 20 HB1 ALA 20 13.469 6.551 1.247 123 HB2 ALA 20 HB2 ALA 20 12.601 5.030 1.453 124 HB3 ALA 20 HB3 ALA 20 14.359 5.030 1.321 125 H TRP 21 H TRP 21 11.563 3.658 0.073 126 HA TRP 21 HA TRP 21 9.524 4.851 -1.670 127 HB2 TRP 21 HB2 TRP 21 9.423 2.136 -0.351 128 HB3 TRP 21 HB3 TRP 21 8.426 2.726 -1.677 129 HD1 TRP 21 HD1 TRP 21 11.596 0.887 -0.982 130 HE1 TRP 21 HE1 TRP 21 12.829 0.393 -3.187 131 HE3 TRP 21 HE3 TRP 21 8.889 3.885 -4.116 132 HZ2 TRP 21 HZ2 TRP 21 12.675 1.172 -5.896 133 HZ3 TRP 21 HZ3 TRP 21 9.497 3.954 -6.499 134 HH2 TRP 21 HH2 TRP 21 11.352 2.625 -7.369 135 H GLY 22 H GLY 22 7.909 5.970 -0.800 136 HA2 GLY 22 HA2 GLY 22 7.062 5.330 1.945 137 HA3 GLY 22 HA3 GLY 22 7.462 6.990 1.530 138 H CYS 23 H CYS 23 5.086 6.887 2.468 139 HA CYS 23 HA CYS 23 3.258 6.701 0.163 140 HB2 CYS 23 HB2 CYS 23 3.065 5.400 2.619 141 HB3 CYS 23 HB3 CYS 23 1.938 6.746 2.754 142 H CYS 24 H CYS 24 2.668 8.618 -0.581 143 HA CYS 24 HA CYS 24 2.872 10.973 1.116 144 HB2 CYS 24 HB2 CYS 24 2.516 12.245 -0.939 145 HB3 CYS 24 HB3 CYS 24 3.788 11.049 -1.169 Start of MODEL 12 1 H1 CYS 1 H CYS 1 -0.442 -0.641 -4.736 2 HA CYS 1 HA CYS 1 2.360 -0.445 -3.865 3 HB2 CYS 1 HB2 CYS 1 -0.043 -0.999 -2.122 4 HB3 CYS 1 HB3 CYS 1 1.575 -0.536 -1.605 5 H ASP 2 H ASP 2 2.456 -2.314 -1.902 6 HA ASP 2 HA ASP 2 1.567 -4.864 -2.978 7 HB2 ASP 2 HB2 ASP 2 3.888 -4.140 -3.955 8 HB3 ASP 2 HB3 ASP 2 4.490 -4.611 -2.368 9 H MET 3 H MET 3 2.395 -6.694 -1.490 10 HA MET 3 HA MET 3 1.405 -6.280 1.074 11 HB2 MET 3 HB2 MET 3 2.970 -8.422 -0.259 12 HB3 MET 3 HB3 MET 3 2.941 -8.435 1.499 13 HG2 MET 3 HG2 MET 3 1.197 -9.849 0.718 14 HG3 MET 3 HG3 MET 3 0.461 -8.400 1.399 15 HE1 MET 3 HE1 MET 3 -0.439 -10.786 -0.634 16 HE2 MET 3 HE2 MET 3 -1.777 -9.691 -0.282 17 HE3 MET 3 HE3 MET 3 -1.346 -10.049 -1.954 18 H GLU 4 H GLU 4 4.811 -6.608 0.067 19 HA GLU 4 HA GLU 4 6.006 -6.204 2.529 20 HB2 GLU 4 HB2 GLU 4 7.088 -5.170 -0.094 21 HB3 GLU 4 HB3 GLU 4 8.010 -5.618 1.335 22 HG2 GLU 4 HG2 GLU 4 7.199 -7.956 1.035 23 HG3 GLU 4 HG3 GLU 4 6.483 -7.451 -0.494 24 H VAL 5 H VAL 5 4.911 -3.811 0.167 25 HA VAL 5 HA VAL 5 5.334 -1.720 2.203 26 HB VAL 5 HB VAL 5 5.308 -1.288 -0.784 27 HG11 VAL 5 HG11 VAL 5 5.181 0.866 -0.269 28 HG12 VAL 5 HG12 VAL 5 5.138 0.469 1.448 29 HG13 VAL 5 HG13 VAL 5 6.684 0.732 0.642 30 HG21 VAL 5 HG21 VAL 5 7.618 -1.656 1.112 31 HG22 VAL 5 HG22 VAL 5 7.246 -2.589 -0.338 32 HG23 VAL 5 HG23 VAL 5 7.780 -0.914 -0.480 33 H SER 6 H SER 6 3.309 -1.740 3.109 34 HA SER 6 HA SER 6 1.025 -1.283 1.314 35 HB2 SER 6 HB2 SER 6 1.120 -3.204 3.097 36 HB3 SER 6 HB3 SER 6 0.717 -1.914 4.229 37 HG SER 6 HG SER 6 -1.251 -1.976 3.522 38 H CYS 7 H CYS 7 -0.783 -0.028 2.710 39 HA CYS 7 HA CYS 7 0.360 2.214 4.161 40 HB2 CYS 7 HB2 CYS 7 0.272 2.612 1.550 41 HB3 CYS 7 HB3 CYS 7 -1.429 2.928 1.875 42 HA PRO 8 HA PRO 8 -3.793 0.779 5.658 43 HB2 PRO 8 HB2 PRO 8 -3.067 0.658 8.271 44 HB3 PRO 8 HB3 PRO 8 -2.830 -0.684 7.145 45 HG2 PRO 8 HG2 PRO 8 -0.863 1.366 8.089 46 HG3 PRO 8 HG3 PRO 8 -0.645 -0.382 7.880 47 HD2 PRO 8 HD2 PRO 8 0.234 1.424 6.064 48 HD3 PRO 8 HD3 PRO 8 -0.327 -0.197 5.605 49 H ASP 9 H ASP 9 -1.544 3.235 6.811 50 HA ASP 9 HA ASP 9 -3.166 4.726 8.470 51 HB2 ASP 9 HB2 ASP 9 -1.079 5.714 6.515 52 HB3 ASP 9 HB3 ASP 9 -1.764 6.677 7.822 53 H GLY 10 H GLY 10 -3.194 4.508 4.984 54 HA2 GLY 10 HA2 GLY 10 -5.262 4.959 3.818 55 HA3 GLY 10 HA3 GLY 10 -5.573 6.248 4.971 56 H TYR 11 H TYR 11 -2.565 5.581 3.236 57 HA TYR 11 HA TYR 11 -2.926 8.118 1.785 58 HB2 TYR 11 HB2 TYR 11 -0.716 7.234 3.535 59 HB3 TYR 11 HB3 TYR 11 -0.226 7.975 2.016 60 HD1 TYR 11 HD1 TYR 11 -1.308 8.569 5.353 61 HD2 TYR 11 HD2 TYR 11 -1.249 10.275 1.456 62 HE1 TYR 11 HE1 TYR 11 -1.679 10.796 6.330 63 HE2 TYR 11 HE2 TYR 11 -1.618 12.507 2.422 64 HH TYR 11 HH TYR 11 -1.767 13.701 4.296 65 H THR 12 H THR 12 -1.001 8.220 0.058 66 HA THR 12 HA THR 12 -1.276 5.753 -1.514 67 HB THR 12 HB THR 12 -0.266 8.338 -2.653 68 HG1 THR 12 HG1 THR 12 -2.337 9.057 -2.917 69 HG21 THR 12 HG21 THR 12 -1.767 7.297 -4.565 70 HG22 THR 12 HG22 THR 12 -0.117 6.738 -4.291 71 HG23 THR 12 HG23 THR 12 -1.478 5.810 -3.661 72 H CYS 13 H CYS 13 0.444 4.550 -2.050 73 HA CYS 13 HA CYS 13 3.002 5.188 -0.889 74 HB2 CYS 13 HB2 CYS 13 3.690 2.986 -1.778 75 HB3 CYS 13 HB3 CYS 13 2.207 2.888 -0.834 76 H CYS 14 H CYS 14 4.738 6.022 -1.871 77 HA CYS 14 HA CYS 14 4.990 5.939 -4.764 78 HB2 CYS 14 HB2 CYS 14 5.273 8.354 -4.996 79 HB3 CYS 14 HB3 CYS 14 3.675 7.983 -4.357 80 H ARG 15 H ARG 15 7.090 7.341 -5.323 81 HA ARG 15 HA ARG 15 9.165 6.352 -3.492 82 HB2 ARG 15 HB2 ARG 15 9.312 5.473 -5.758 83 HB3 ARG 15 HB3 ARG 15 9.318 7.104 -6.416 84 HG2 ARG 15 HG2 ARG 15 11.467 7.550 -5.462 85 HG3 ARG 15 HG3 ARG 15 11.445 6.018 -4.586 86 HD2 ARG 15 HD2 ARG 15 11.568 4.775 -6.628 87 HD3 ARG 15 HD3 ARG 15 11.350 6.237 -7.589 88 HE ARG 15 HE ARG 15 13.791 5.259 -6.488 89 HH11 ARG 15 HH11 ARG 15 12.069 8.162 -7.342 90 HH12 ARG 15 HH12 ARG 15 13.506 9.099 -7.585 91 HH21 ARG 15 HH21 ARG 15 15.690 6.483 -6.806 92 HH22 ARG 15 HH22 ARG 15 15.565 8.143 -7.281 93 H LEU 16 H LEU 16 10.618 7.698 -2.568 94 HA LEU 16 HA LEU 16 10.106 10.553 -2.798 95 HB2 LEU 16 HB2 LEU 16 11.614 8.823 -0.882 96 HB3 LEU 16 HB3 LEU 16 11.919 10.559 -0.932 97 HG LEU 16 HG LEU 16 10.372 10.025 0.851 98 HD11 LEU 16 HD11 LEU 16 8.874 11.340 -1.407 99 HD12 LEU 16 HD12 LEU 16 8.629 11.576 0.323 100 HD13 LEU 16 HD13 LEU 16 10.116 12.137 -0.442 101 HD21 LEU 16 HD21 LEU 16 8.301 8.937 0.533 102 HD22 LEU 16 HD22 LEU 16 8.444 9.010 -1.223 103 HD23 LEU 16 HD23 LEU 16 9.500 7.944 -0.296 104 H GLN 17 H GLN 17 11.378 11.956 -3.835 105 HA GLN 17 HA GLN 17 13.330 11.186 -5.640 106 HB2 GLN 17 HB2 GLN 17 12.093 13.381 -5.579 107 HB3 GLN 17 HB3 GLN 17 13.195 13.891 -4.307 108 HG2 GLN 17 HG2 GLN 17 15.078 13.690 -5.802 109 HG3 GLN 17 HG3 GLN 17 14.034 13.057 -7.073 110 HE21 GLN 17 HE21 GLN 17 14.435 14.663 -8.533 111 HE22 GLN 17 HE22 GLN 17 13.916 16.297 -8.316 112 H SER 18 H SER 18 13.678 12.275 -2.300 113 HA SER 18 HA SER 18 16.414 12.612 -2.154 114 HB2 SER 18 HB2 SER 18 16.188 12.520 0.160 115 HB3 SER 18 HB3 SER 18 14.543 12.902 -0.345 116 HG SER 18 HG SER 18 15.455 10.743 0.981 117 H GLY 19 H GLY 19 14.541 9.634 -2.119 118 HA2 GLY 19 HA2 GLY 19 15.708 7.706 -3.155 119 HA3 GLY 19 HA3 GLY 19 17.087 8.132 -2.153 120 H ALA 20 H ALA 20 13.614 7.807 -1.440 121 HA ALA 20 HA ALA 20 14.131 5.489 0.229 122 HB1 ALA 20 HB1 ALA 20 14.142 6.516 2.194 123 HB2 ALA 20 HB2 ALA 20 14.077 8.072 1.367 124 HB3 ALA 20 HB3 ALA 20 12.584 7.262 1.838 125 H TRP 21 H TRP 21 11.983 4.819 1.340 126 HA TRP 21 HA TRP 21 9.819 5.182 -0.627 127 HB2 TRP 21 HB2 TRP 21 9.017 2.932 0.194 128 HB3 TRP 21 HB3 TRP 21 10.545 2.909 -0.682 129 HD1 TRP 21 HD1 TRP 21 12.779 2.444 0.768 130 HE1 TRP 21 HE1 TRP 21 13.111 1.256 3.027 131 HE3 TRP 21 HE3 TRP 21 7.950 2.526 2.445 132 HZ2 TRP 21 HZ2 TRP 21 11.534 0.459 5.228 133 HZ3 TRP 21 HZ3 TRP 21 7.446 1.529 4.637 134 HH2 TRP 21 HH2 TRP 21 9.202 0.517 5.998 135 H GLY 22 H GLY 22 7.792 5.708 0.062 136 HA2 GLY 22 HA2 GLY 22 6.973 5.513 2.794 137 HA3 GLY 22 HA3 GLY 22 7.405 7.162 2.365 138 H CYS 23 H CYS 23 5.006 7.224 3.076 139 HA CYS 23 HA CYS 23 3.303 6.788 0.711 140 HB2 CYS 23 HB2 CYS 23 2.828 6.474 3.619 141 HB3 CYS 23 HB3 CYS 23 1.505 7.172 2.689 142 H CYS 24 H CYS 24 2.996 8.603 -0.388 143 HA CYS 24 HA CYS 24 2.884 11.152 1.072 144 HB2 CYS 24 HB2 CYS 24 3.304 12.198 -1.143 145 HB3 CYS 24 HB3 CYS 24 4.591 11.106 -0.645 Start of MODEL 13 1 H1 CYS 1 H CYS 1 4.664 1.385 0.138 2 HA CYS 1 HA CYS 1 3.188 0.148 -1.158 3 HB2 CYS 1 HB2 CYS 1 4.207 2.147 -2.471 4 HB3 CYS 1 HB3 CYS 1 5.053 0.905 -3.389 5 H ASP 2 H ASP 2 5.008 -1.636 -0.030 6 HA ASP 2 HA ASP 2 5.736 -3.435 -2.232 7 HB2 ASP 2 HB2 ASP 2 6.479 -3.750 0.676 8 HB3 ASP 2 HB3 ASP 2 7.212 -4.538 -0.718 9 H MET 3 H MET 3 5.569 -5.862 -1.450 10 HA MET 3 HA MET 3 2.843 -6.494 -1.353 11 HB2 MET 3 HB2 MET 3 4.890 -7.913 -2.112 12 HB3 MET 3 HB3 MET 3 4.952 -8.417 -0.428 13 HG2 MET 3 HG2 MET 3 3.049 -9.641 -0.573 14 HG3 MET 3 HG3 MET 3 2.338 -8.595 -1.800 15 HE1 MET 3 HE1 MET 3 2.002 -11.819 -3.281 16 HE2 MET 3 HE2 MET 3 1.354 -10.230 -2.872 17 HE3 MET 3 HE3 MET 3 2.074 -10.507 -4.457 18 H GLU 4 H GLU 4 5.293 -6.369 1.190 19 HA GLU 4 HA GLU 4 3.334 -7.151 3.200 20 HB2 GLU 4 HB2 GLU 4 5.215 -7.140 4.760 21 HB3 GLU 4 HB3 GLU 4 5.591 -8.099 3.335 22 HG2 GLU 4 HG2 GLU 4 6.650 -5.852 2.493 23 HG3 GLU 4 HG3 GLU 4 6.712 -5.491 4.218 24 H VAL 5 H VAL 5 5.230 -4.348 2.218 25 HA VAL 5 HA VAL 5 4.113 -2.726 4.363 26 HB VAL 5 HB VAL 5 5.938 -1.837 2.128 27 HG11 VAL 5 HG11 VAL 5 5.639 0.186 2.992 28 HG12 VAL 5 HG12 VAL 5 4.598 -0.471 4.255 29 HG13 VAL 5 HG13 VAL 5 6.342 -0.384 4.506 30 HG21 VAL 5 HG21 VAL 5 7.696 -2.011 3.990 31 HG22 VAL 5 HG22 VAL 5 6.547 -3.083 4.789 32 HG23 VAL 5 HG23 VAL 5 7.184 -3.501 3.198 33 H SER 6 H SER 6 2.008 -2.278 3.984 34 HA SER 6 HA SER 6 1.238 -1.297 1.327 35 HB2 SER 6 HB2 SER 6 -1.107 -1.608 2.177 36 HB3 SER 6 HB3 SER 6 -0.162 -3.096 2.107 37 HG SER 6 HG SER 6 -1.442 -2.514 4.118 38 H CYS 7 H CYS 7 -0.852 0.277 1.750 39 HA CYS 7 HA CYS 7 0.220 2.478 3.391 40 HB2 CYS 7 HB2 CYS 7 -0.030 2.624 0.764 41 HB3 CYS 7 HB3 CYS 7 -1.711 2.969 1.162 42 HA PRO 8 HA PRO 8 -3.825 1.195 5.273 43 HB2 PRO 8 HB2 PRO 8 -2.938 1.327 7.836 44 HB3 PRO 8 HB3 PRO 8 -2.763 -0.117 6.832 45 HG2 PRO 8 HG2 PRO 8 -0.754 2.014 7.450 46 HG3 PRO 8 HG3 PRO 8 -0.538 0.254 7.398 47 HD2 PRO 8 HD2 PRO 8 0.216 1.876 5.364 48 HD3 PRO 8 HD3 PRO 8 -0.362 0.218 5.100 49 H ASP 9 H ASP 9 -1.523 3.751 6.042 50 HA ASP 9 HA ASP 9 -3.049 5.395 7.646 51 HB2 ASP 9 HB2 ASP 9 -1.133 6.248 5.465 52 HB3 ASP 9 HB3 ASP 9 -1.685 7.260 6.797 53 H GLY 10 H GLY 10 -3.290 4.841 4.206 54 HA2 GLY 10 HA2 GLY 10 -5.375 5.183 3.074 55 HA3 GLY 10 HA3 GLY 10 -5.717 6.504 4.182 56 H TYR 11 H TYR 11 -2.735 5.914 2.374 57 HA TYR 11 HA TYR 11 -3.268 8.372 0.841 58 HB2 TYR 11 HB2 TYR 11 -0.688 7.498 2.146 59 HB3 TYR 11 HB3 TYR 11 -0.778 8.779 0.942 60 HD1 TYR 11 HD1 TYR 11 -2.403 10.738 1.471 61 HD2 TYR 11 HD2 TYR 11 -0.947 8.013 4.397 62 HE1 TYR 11 HE1 TYR 11 -2.923 12.368 3.239 63 HE2 TYR 11 HE2 TYR 11 -1.465 9.635 6.172 64 HH TYR 11 HH TYR 11 -2.110 11.724 6.627 65 H THR 12 H THR 12 -1.421 8.487 -0.969 66 HA THR 12 HA THR 12 -1.761 6.026 -2.509 67 HB THR 12 HB THR 12 -0.474 8.428 -3.708 68 HG1 THR 12 HG1 THR 12 -3.283 8.361 -3.573 69 HG21 THR 12 HG21 THR 12 -0.750 6.829 -5.322 70 HG22 THR 12 HG22 THR 12 -2.190 6.152 -4.560 71 HG23 THR 12 HG23 THR 12 -2.300 7.658 -5.472 72 H CYS 13 H CYS 13 0.089 5.377 -3.940 73 HA CYS 13 HA CYS 13 2.440 5.028 -2.314 74 HB2 CYS 13 HB2 CYS 13 1.681 4.057 -5.070 75 HB3 CYS 13 HB3 CYS 13 3.235 3.699 -4.325 76 H CYS 14 H CYS 14 4.186 6.269 -2.327 77 HA CYS 14 HA CYS 14 4.888 7.742 -4.762 78 HB2 CYS 14 HB2 CYS 14 4.947 9.043 -2.038 79 HB3 CYS 14 HB3 CYS 14 5.210 9.807 -3.603 80 H ARG 15 H ARG 15 7.116 8.904 -4.304 81 HA ARG 15 HA ARG 15 8.848 7.046 -2.816 82 HB2 ARG 15 HB2 ARG 15 10.541 7.295 -4.616 83 HB3 ARG 15 HB3 ARG 15 9.074 6.488 -5.154 84 HG2 ARG 15 HG2 ARG 15 9.220 9.421 -5.529 85 HG3 ARG 15 HG3 ARG 15 10.248 8.414 -6.552 86 HD2 ARG 15 HD2 ARG 15 7.393 7.646 -6.235 87 HD3 ARG 15 HD3 ARG 15 7.771 9.042 -7.243 88 HE ARG 15 HE ARG 15 9.445 6.944 -8.009 89 HH11 ARG 15 HH11 ARG 15 6.061 7.762 -8.034 90 HH12 ARG 15 HH12 ARG 15 5.709 6.818 -9.443 91 HH21 ARG 15 HH21 ARG 15 8.995 5.698 -9.866 92 HH22 ARG 15 HH22 ARG 15 7.379 5.644 -10.484 93 H LEU 16 H LEU 16 11.078 8.009 -2.472 94 HA LEU 16 HA LEU 16 10.778 10.853 -1.778 95 HB2 LEU 16 HB2 LEU 16 12.204 8.575 -0.484 96 HB3 LEU 16 HB3 LEU 16 12.804 10.215 -0.245 97 HG LEU 16 HG LEU 16 10.328 10.690 0.474 98 HD11 LEU 16 HD11 LEU 16 9.053 8.935 1.200 99 HD12 LEU 16 HD12 LEU 16 9.840 8.197 -0.195 100 HD13 LEU 16 HD13 LEU 16 10.443 7.874 1.430 101 HD21 LEU 16 HD21 LEU 16 12.500 10.706 1.829 102 HD22 LEU 16 HD22 LEU 16 10.986 10.492 2.708 103 HD23 LEU 16 HD23 LEU 16 12.018 9.100 2.377 104 H GLN 17 H GLN 17 12.542 12.269 -2.094 105 HA GLN 17 HA GLN 17 13.850 12.098 -4.517 106 HB2 GLN 17 HB2 GLN 17 13.539 14.112 -2.924 107 HB3 GLN 17 HB3 GLN 17 15.051 13.585 -2.198 108 HG2 GLN 17 HG2 GLN 17 14.921 13.973 -5.146 109 HG3 GLN 17 HG3 GLN 17 15.020 15.383 -4.094 110 HE21 GLN 17 HE21 GLN 17 17.038 15.246 -5.677 111 HE22 GLN 17 HE22 GLN 17 18.459 14.613 -4.927 112 H SER 18 H SER 18 15.072 11.240 -1.300 113 HA SER 18 HA SER 18 17.695 10.650 -1.930 114 HB2 SER 18 HB2 SER 18 15.810 9.465 0.100 115 HB3 SER 18 HB3 SER 18 17.484 8.925 -0.027 116 HG SER 18 HG SER 18 18.182 10.885 0.603 117 H GLY 19 H GLY 19 14.802 8.713 -2.425 118 HA2 GLY 19 HA2 GLY 19 14.853 7.244 -4.401 119 HA3 GLY 19 HA3 GLY 19 16.467 6.764 -3.896 120 H ALA 20 H ALA 20 13.395 7.076 -2.122 121 HA ALA 20 HA ALA 20 13.520 4.198 -1.539 122 HB1 ALA 20 HB1 ALA 20 13.182 6.416 0.469 123 HB2 ALA 20 HB2 ALA 20 12.794 4.729 0.807 124 HB3 ALA 20 HB3 ALA 20 14.449 5.190 0.410 125 H TRP 21 H TRP 21 11.400 3.511 -0.402 126 HA TRP 21 HA TRP 21 9.214 4.528 -2.044 127 HB2 TRP 21 HB2 TRP 21 7.994 2.520 -1.228 128 HB3 TRP 21 HB3 TRP 21 9.511 2.125 -2.030 129 HD1 TRP 21 HD1 TRP 21 11.236 0.733 -0.684 130 HE1 TRP 21 HE1 TRP 21 11.321 -0.213 1.708 131 HE3 TRP 21 HE3 TRP 21 7.183 3.146 1.287 132 HZ2 TRP 21 HZ2 TRP 21 9.862 0.031 4.112 133 HZ3 TRP 21 HZ3 TRP 21 6.595 2.734 3.641 134 HH2 TRP 21 HH2 TRP 21 7.908 1.208 5.022 135 H GLY 22 H GLY 22 7.067 4.839 -1.064 136 HA2 GLY 22 HA2 GLY 22 6.594 5.104 1.672 137 HA3 GLY 22 HA3 GLY 22 7.186 6.656 1.100 138 H CYS 23 H CYS 23 4.943 7.181 1.964 139 HA CYS 23 HA CYS 23 3.046 7.024 -0.279 140 HB2 CYS 23 HB2 CYS 23 2.625 6.325 2.582 141 HB3 CYS 23 HB3 CYS 23 1.318 7.168 1.758 142 H CYS 24 H CYS 24 1.838 8.853 -0.683 143 HA CYS 24 HA CYS 24 2.147 11.154 1.088 144 HB2 CYS 24 HB2 CYS 24 2.951 12.619 -0.610 145 HB3 CYS 24 HB3 CYS 24 3.985 11.194 -0.650 Start of MODEL 14 1 H1 CYS 1 H CYS 1 0.017 -0.256 -0.985 2 HA CYS 1 HA CYS 1 -1.412 -1.817 -2.703 3 HB2 CYS 1 HB2 CYS 1 0.376 -1.259 -4.420 4 HB3 CYS 1 HB3 CYS 1 -0.330 0.111 -3.570 5 H ASP 2 H ASP 2 1.757 -2.518 -1.332 6 HA ASP 2 HA ASP 2 1.687 -5.163 -2.622 7 HB2 ASP 2 HB2 ASP 2 3.982 -3.490 -1.608 8 HB3 ASP 2 HB3 ASP 2 4.159 -5.203 -1.982 9 H MET 3 H MET 3 2.236 -7.018 -1.382 10 HA MET 3 HA MET 3 1.013 -7.190 1.108 11 HB2 MET 3 HB2 MET 3 2.218 -9.374 1.323 12 HB3 MET 3 HB3 MET 3 1.350 -9.174 -0.194 13 HG2 MET 3 HG2 MET 3 3.509 -8.489 -1.244 14 HG3 MET 3 HG3 MET 3 4.311 -8.932 0.261 15 HE1 MET 3 HE1 MET 3 5.892 -10.640 -0.564 16 HE2 MET 3 HE2 MET 3 5.074 -11.357 0.825 17 HE3 MET 3 HE3 MET 3 5.385 -12.329 -0.613 18 H GLU 4 H GLU 4 4.433 -6.755 0.296 19 HA GLU 4 HA GLU 4 5.282 -6.777 3.036 20 HB2 GLU 4 HB2 GLU 4 6.616 -7.294 0.817 21 HB3 GLU 4 HB3 GLU 4 6.938 -5.566 0.864 22 HG2 GLU 4 HG2 GLU 4 8.750 -6.359 1.994 23 HG3 GLU 4 HG3 GLU 4 7.639 -6.073 3.333 24 H VAL 5 H VAL 5 4.955 -4.250 0.550 25 HA VAL 5 HA VAL 5 5.134 -2.221 2.670 26 HB VAL 5 HB VAL 5 5.312 -1.788 -0.313 27 HG11 VAL 5 HG11 VAL 5 4.657 0.221 0.762 28 HG12 VAL 5 HG12 VAL 5 5.817 -0.020 2.069 29 HG13 VAL 5 HG13 VAL 5 6.386 0.364 0.445 30 HG21 VAL 5 HG21 VAL 5 7.355 -2.541 1.700 31 HG22 VAL 5 HG22 VAL 5 7.260 -2.927 -0.018 32 HG23 VAL 5 HG23 VAL 5 7.805 -1.332 0.498 33 H SER 6 H SER 6 3.271 -1.455 3.396 34 HA SER 6 HA SER 6 1.013 -1.228 1.515 35 HB2 SER 6 HB2 SER 6 -0.504 -1.648 3.403 36 HB3 SER 6 HB3 SER 6 0.611 -2.995 3.181 37 HG SER 6 HG SER 6 1.520 -2.564 5.045 38 H CYS 7 H CYS 7 -0.714 0.331 2.552 39 HA CYS 7 HA CYS 7 0.615 2.645 3.767 40 HB2 CYS 7 HB2 CYS 7 -1.002 2.652 1.219 41 HB3 CYS 7 HB3 CYS 7 -0.713 4.110 2.164 42 HA PRO 8 HA PRO 8 -3.435 1.596 5.783 43 HB2 PRO 8 HB2 PRO 8 -2.481 1.764 8.320 44 HB3 PRO 8 HB3 PRO 8 -2.396 0.284 7.357 45 HG2 PRO 8 HG2 PRO 8 -0.279 2.339 7.864 46 HG3 PRO 8 HG3 PRO 8 -0.144 0.571 7.861 47 HD2 PRO 8 HD2 PRO 8 0.633 2.095 5.762 48 HD3 PRO 8 HD3 PRO 8 -0.025 0.458 5.562 49 H ASP 9 H ASP 9 -0.998 4.056 6.467 50 HA ASP 9 HA ASP 9 -2.444 5.814 8.029 51 HB2 ASP 9 HB2 ASP 9 -0.234 6.152 6.045 52 HB3 ASP 9 HB3 ASP 9 -1.028 7.592 6.677 53 H GLY 10 H GLY 10 -2.689 5.195 4.600 54 HA2 GLY 10 HA2 GLY 10 -4.832 5.623 3.538 55 HA3 GLY 10 HA3 GLY 10 -4.950 7.090 4.500 56 H TYR 11 H TYR 11 -2.152 5.913 2.683 57 HA TYR 11 HA TYR 11 -2.472 8.171 0.828 58 HB2 TYR 11 HB2 TYR 11 -0.052 7.432 2.451 59 HB3 TYR 11 HB3 TYR 11 0.111 8.308 0.933 60 HD1 TYR 11 HD1 TYR 11 0.376 8.901 4.184 61 HD2 TYR 11 HD2 TYR 11 -2.072 10.193 0.953 62 HE1 TYR 11 HE1 TYR 11 -0.056 11.015 5.365 63 HE2 TYR 11 HE2 TYR 11 -2.510 12.311 2.124 64 HH TYR 11 HH TYR 11 -1.766 13.658 3.834 65 H THR 12 H THR 12 -0.898 7.935 -1.068 66 HA THR 12 HA THR 12 -1.208 5.236 -2.110 67 HB THR 12 HB THR 12 -0.190 6.445 -4.215 68 HG1 THR 12 HG1 THR 12 -0.041 8.551 -4.049 69 HG21 THR 12 HG21 THR 12 -2.965 6.795 -3.105 70 HG22 THR 12 HG22 THR 12 -2.522 7.343 -4.722 71 HG23 THR 12 HG23 THR 12 -2.403 5.633 -4.307 72 H CYS 13 H CYS 13 0.564 4.234 -3.341 73 HA CYS 13 HA CYS 13 3.011 4.320 -1.809 74 HB2 CYS 13 HB2 CYS 13 2.257 2.632 -4.205 75 HB3 CYS 13 HB3 CYS 13 3.683 2.402 -3.198 76 H CYS 14 H CYS 14 4.654 5.612 -2.263 77 HA CYS 14 HA CYS 14 5.431 6.081 -5.023 78 HB2 CYS 14 HB2 CYS 14 5.391 8.469 -4.902 79 HB3 CYS 14 HB3 CYS 14 3.799 7.900 -4.412 80 H ARG 15 H ARG 15 7.444 7.668 -4.951 81 HA ARG 15 HA ARG 15 9.151 6.822 -2.703 82 HB2 ARG 15 HB2 ARG 15 11.030 6.659 -4.261 83 HB3 ARG 15 HB3 ARG 15 9.725 5.579 -4.733 84 HG2 ARG 15 HG2 ARG 15 10.221 6.455 -6.763 85 HG3 ARG 15 HG3 ARG 15 9.041 7.654 -6.227 86 HD2 ARG 15 HD2 ARG 15 10.703 9.211 -5.683 87 HD3 ARG 15 HD3 ARG 15 11.972 7.987 -5.681 88 HE ARG 15 HE ARG 15 11.037 8.003 -8.246 89 HH11 ARG 15 HH11 ARG 15 12.334 10.399 -6.079 90 HH12 ARG 15 HH12 ARG 15 13.021 11.361 -7.346 91 HH21 ARG 15 HH21 ARG 15 11.937 9.261 -9.922 92 HH22 ARG 15 HH22 ARG 15 12.794 10.714 -9.531 93 H LEU 16 H LEU 16 10.885 8.256 -2.148 94 HA LEU 16 HA LEU 16 10.254 11.053 -2.787 95 HB2 LEU 16 HB2 LEU 16 11.717 9.812 -0.465 96 HB3 LEU 16 HB3 LEU 16 11.607 11.550 -0.738 97 HG LEU 16 HG LEU 16 9.028 11.089 -0.697 98 HD11 LEU 16 HD11 LEU 16 10.216 8.635 0.523 99 HD12 LEU 16 HD12 LEU 16 8.692 9.278 1.135 100 HD13 LEU 16 HD13 LEU 16 8.830 8.796 -0.556 101 HD21 LEU 16 HD21 LEU 16 10.780 11.115 1.758 102 HD22 LEU 16 HD22 LEU 16 10.163 12.517 0.883 103 HD23 LEU 16 HD23 LEU 16 9.049 11.457 1.747 104 H GLN 17 H GLN 17 12.171 12.555 -2.768 105 HA GLN 17 HA GLN 17 13.917 11.980 -4.826 106 HB2 GLN 17 HB2 GLN 17 14.124 13.946 -2.553 107 HB3 GLN 17 HB3 GLN 17 15.326 13.870 -3.835 108 HG2 GLN 17 HG2 GLN 17 13.262 14.099 -5.404 109 HG3 GLN 17 HG3 GLN 17 12.476 14.733 -3.959 110 HE21 GLN 17 HE21 GLN 17 14.147 15.563 -6.655 111 HE22 GLN 17 HE22 GLN 17 14.764 17.097 -6.157 112 H SER 18 H SER 18 14.413 11.599 -1.344 113 HA SER 18 HA SER 18 17.099 10.971 -1.287 114 HB2 SER 18 HB2 SER 18 15.412 11.197 0.659 115 HB3 SER 18 HB3 SER 18 15.110 9.477 0.410 116 HG SER 18 HG SER 18 17.486 9.272 0.601 117 H GLY 19 H GLY 19 14.373 8.958 -2.213 118 HA2 GLY 19 HA2 GLY 19 14.924 7.270 -3.947 119 HA3 GLY 19 HA3 GLY 19 16.293 6.829 -2.936 120 H ALA 20 H ALA 20 14.717 7.083 -0.461 121 HA ALA 20 HA ALA 20 13.845 4.413 -0.248 122 HB1 ALA 20 HB1 ALA 20 14.661 5.884 1.623 123 HB2 ALA 20 HB2 ALA 20 13.075 6.655 1.607 124 HB3 ALA 20 HB3 ALA 20 13.216 4.937 1.979 125 H TRP 21 H TRP 21 11.659 3.714 0.403 126 HA TRP 21 HA TRP 21 9.681 4.891 -1.377 127 HB2 TRP 21 HB2 TRP 21 8.407 2.878 -1.039 128 HB3 TRP 21 HB3 TRP 21 10.086 2.422 -1.313 129 HD1 TRP 21 HD1 TRP 21 11.313 1.110 0.589 130 HE1 TRP 21 HE1 TRP 21 10.562 0.137 2.851 131 HE3 TRP 21 HE3 TRP 21 6.750 3.382 0.976 132 HZ2 TRP 21 HZ2 TRP 21 8.331 0.309 4.571 133 HZ3 TRP 21 HZ3 TRP 21 5.369 2.925 2.961 134 HH2 TRP 21 HH2 TRP 21 6.145 1.419 4.719 135 H GLY 22 H GLY 22 7.644 5.617 -0.727 136 HA2 GLY 22 HA2 GLY 22 7.109 5.815 2.142 137 HA3 GLY 22 HA3 GLY 22 7.278 7.320 1.251 138 H CYS 23 H CYS 23 4.963 6.950 2.531 139 HA CYS 23 HA CYS 23 3.064 6.081 0.453 140 HB2 CYS 23 HB2 CYS 23 2.883 6.125 3.455 141 HB3 CYS 23 HB3 CYS 23 1.430 6.089 2.461 142 H CYS 24 H CYS 24 2.947 7.990 -0.704 143 HA CYS 24 HA CYS 24 1.849 10.305 0.753 144 HB2 CYS 24 HB2 CYS 24 2.877 11.764 -0.841 145 HB3 CYS 24 HB3 CYS 24 4.112 10.631 -0.303 Start of MODEL 15 1 H1 CYS 1 H CYS 1 -0.736 -1.724 0.173 2 HA CYS 1 HA CYS 1 -0.398 -1.295 -2.658 3 HB2 CYS 1 HB2 CYS 1 0.384 0.181 -0.613 4 HB3 CYS 1 HB3 CYS 1 1.808 -0.851 -0.690 5 H ASP 2 H ASP 2 1.372 -3.103 -0.151 6 HA ASP 2 HA ASP 2 2.293 -4.941 -2.253 7 HB2 ASP 2 HB2 ASP 2 4.025 -3.190 -1.324 8 HB3 ASP 2 HB3 ASP 2 4.101 -4.298 0.043 9 H MET 3 H MET 3 3.350 -6.946 -1.125 10 HA MET 3 HA MET 3 1.302 -8.163 0.428 11 HB2 MET 3 HB2 MET 3 4.012 -9.020 -0.529 12 HB3 MET 3 HB3 MET 3 3.133 -10.009 0.630 13 HG2 MET 3 HG2 MET 3 2.587 -10.928 -1.429 14 HG3 MET 3 HG3 MET 3 1.199 -9.920 -1.030 15 HE1 MET 3 HE1 MET 3 1.799 -11.123 -3.784 16 HE2 MET 3 HE2 MET 3 2.435 -10.029 -5.013 17 HE3 MET 3 HE3 MET 3 3.538 -10.857 -3.913 18 H GLU 4 H GLU 4 4.467 -6.807 1.163 19 HA GLU 4 HA GLU 4 4.049 -7.422 4.007 20 HB2 GLU 4 HB2 GLU 4 6.464 -6.911 4.264 21 HB3 GLU 4 HB3 GLU 4 6.154 -8.252 3.171 22 HG2 GLU 4 HG2 GLU 4 6.414 -6.690 1.264 23 HG3 GLU 4 HG3 GLU 4 6.864 -5.430 2.411 24 H VAL 5 H VAL 5 4.883 -4.807 1.774 25 HA VAL 5 HA VAL 5 4.605 -2.843 3.921 26 HB VAL 5 HB VAL 5 5.372 -2.374 1.038 27 HG11 VAL 5 HG11 VAL 5 6.362 -0.479 2.974 28 HG12 VAL 5 HG12 VAL 5 5.412 -0.201 1.514 29 HG13 VAL 5 HG13 VAL 5 4.603 -0.586 3.034 30 HG21 VAL 5 HG21 VAL 5 7.220 -3.522 1.646 31 HG22 VAL 5 HG22 VAL 5 7.655 -1.997 2.417 32 HG23 VAL 5 HG23 VAL 5 6.927 -3.291 3.370 33 H SER 6 H SER 6 2.613 -2.154 4.331 34 HA SER 6 HA SER 6 0.781 -1.732 2.060 35 HB2 SER 6 HB2 SER 6 -1.075 -2.111 3.646 36 HB3 SER 6 HB3 SER 6 -0.010 -3.513 3.543 37 HG SER 6 HG SER 6 0.731 -3.123 5.528 38 H CYS 7 H CYS 7 -0.751 0.038 2.292 39 HA CYS 7 HA CYS 7 0.371 2.248 3.886 40 HB2 CYS 7 HB2 CYS 7 0.312 2.267 1.245 41 HB3 CYS 7 HB3 CYS 7 -1.363 2.745 1.501 42 HA PRO 8 HA PRO 8 -3.878 1.354 5.531 43 HB2 PRO 8 HB2 PRO 8 -3.160 1.546 8.142 44 HB3 PRO 8 HB3 PRO 8 -3.029 0.045 7.218 45 HG2 PRO 8 HG2 PRO 8 -0.909 2.051 7.884 46 HG3 PRO 8 HG3 PRO 8 -0.826 0.280 7.925 47 HD2 PRO 8 HD2 PRO 8 0.187 1.739 5.882 48 HD3 PRO 8 HD3 PRO 8 -0.497 0.118 5.649 49 H ASP 9 H ASP 9 -1.444 3.764 6.372 50 HA ASP 9 HA ASP 9 -2.959 5.593 7.776 51 HB2 ASP 9 HB2 ASP 9 -0.802 6.180 5.736 52 HB3 ASP 9 HB3 ASP 9 -1.387 7.309 6.956 53 H GLY 10 H GLY 10 -2.963 4.898 4.353 54 HA2 GLY 10 HA2 GLY 10 -4.900 5.346 3.023 55 HA3 GLY 10 HA3 GLY 10 -5.249 6.723 4.057 56 H TYR 11 H TYR 11 -2.164 5.882 2.546 57 HA TYR 11 HA TYR 11 -2.377 8.343 0.939 58 HB2 TYR 11 HB2 TYR 11 -0.080 7.280 2.557 59 HB3 TYR 11 HB3 TYR 11 0.208 8.343 1.184 60 HD1 TYR 11 HD1 TYR 11 0.279 8.471 4.504 61 HD2 TYR 11 HD2 TYR 11 -1.874 10.320 1.334 62 HE1 TYR 11 HE1 TYR 11 -0.140 10.426 5.937 63 HE2 TYR 11 HE2 TYR 11 -2.298 12.281 2.758 64 HH TYR 11 HH TYR 11 -2.152 13.120 4.826 65 H THR 12 H THR 12 -0.430 8.263 -0.758 66 HA THR 12 HA THR 12 -0.787 5.729 -2.204 67 HB THR 12 HB THR 12 0.113 7.168 -4.169 68 HG1 THR 12 HG1 THR 12 0.096 9.308 -3.889 69 HG21 THR 12 HG21 THR 12 -2.283 6.345 -3.685 70 HG22 THR 12 HG22 THR 12 -2.591 8.003 -3.169 71 HG23 THR 12 HG23 THR 12 -2.073 7.676 -4.822 72 H CYS 13 H CYS 13 0.964 4.664 -3.132 73 HA CYS 13 HA CYS 13 3.464 5.010 -1.743 74 HB2 CYS 13 HB2 CYS 13 2.637 3.068 -3.910 75 HB3 CYS 13 HB3 CYS 13 4.171 3.013 -3.047 76 H CYS 14 H CYS 14 4.587 6.769 -2.379 77 HA CYS 14 HA CYS 14 5.358 6.894 -5.216 78 HB2 CYS 14 HB2 CYS 14 5.263 9.309 -5.178 79 HB3 CYS 14 HB3 CYS 14 3.702 8.671 -4.672 80 H ARG 15 H ARG 15 7.404 8.056 -5.587 81 HA ARG 15 HA ARG 15 9.314 7.394 -3.480 82 HB2 ARG 15 HB2 ARG 15 9.727 8.172 -6.372 83 HB3 ARG 15 HB3 ARG 15 11.019 7.765 -5.250 84 HG2 ARG 15 HG2 ARG 15 10.504 5.533 -5.247 85 HG3 ARG 15 HG3 ARG 15 8.813 5.813 -5.666 86 HD2 ARG 15 HD2 ARG 15 10.244 4.795 -7.478 87 HD3 ARG 15 HD3 ARG 15 9.348 6.245 -7.928 88 HE ARG 15 HE ARG 15 11.337 7.346 -8.225 89 HH11 ARG 15 HH11 ARG 15 11.905 4.384 -6.486 90 HH12 ARG 15 HH12 ARG 15 13.631 4.502 -6.590 91 HH21 ARG 15 HH21 ARG 15 13.607 7.512 -8.368 92 HH22 ARG 15 HH22 ARG 15 14.598 6.282 -7.659 93 H LEU 16 H LEU 16 10.821 8.863 -2.662 94 HA LEU 16 HA LEU 16 9.971 11.659 -2.836 95 HB2 LEU 16 HB2 LEU 16 11.583 10.102 -0.844 96 HB3 LEU 16 HB3 LEU 16 11.591 11.865 -0.853 97 HG LEU 16 HG LEU 16 8.998 11.595 -0.693 98 HD11 LEU 16 HD11 LEU 16 8.863 9.222 -1.016 99 HD12 LEU 16 HD12 LEU 16 9.987 8.932 0.312 100 HD13 LEU 16 HD13 LEU 16 8.386 9.594 0.641 101 HD21 LEU 16 HD21 LEU 16 9.189 11.533 1.774 102 HD22 LEU 16 HD22 LEU 16 10.882 11.070 1.603 103 HD23 LEU 16 HD23 LEU 16 10.334 12.641 1.019 104 H GLN 17 H GLN 17 11.905 13.241 -2.475 105 HA GLN 17 HA GLN 17 13.422 13.332 -4.778 106 HB2 GLN 17 HB2 GLN 17 12.977 15.135 -2.950 107 HB3 GLN 17 HB3 GLN 17 14.462 14.526 -2.230 108 HG2 GLN 17 HG2 GLN 17 15.664 15.020 -4.302 109 HG3 GLN 17 HG3 GLN 17 14.176 15.646 -5.009 110 HE21 GLN 17 HE21 GLN 17 16.962 16.647 -3.873 111 HE22 GLN 17 HE22 GLN 17 16.514 18.138 -3.124 112 H SER 18 H SER 18 14.411 12.178 -1.565 113 HA SER 18 HA SER 18 17.058 11.590 -2.080 114 HB2 SER 18 HB2 SER 18 15.064 10.181 -0.300 115 HB3 SER 18 HB3 SER 18 16.784 9.794 -0.311 116 HG SER 18 HG SER 18 17.223 11.638 0.661 117 H GLY 19 H GLY 19 14.178 9.755 -2.916 118 HA2 GLY 19 HA2 GLY 19 14.394 8.463 -5.023 119 HA3 GLY 19 HA3 GLY 19 15.911 7.857 -4.375 120 H ALA 20 H ALA 20 14.796 7.573 -1.664 121 HA ALA 20 HA ALA 20 13.975 4.896 -1.812 122 HB1 ALA 20 HB1 ALA 20 13.414 5.151 0.589 123 HB2 ALA 20 HB2 ALA 20 15.020 5.754 0.178 124 HB3 ALA 20 HB3 ALA 20 13.692 6.886 0.435 125 H TRP 21 H TRP 21 11.883 4.139 -0.686 126 HA TRP 21 HA TRP 21 9.670 5.338 -2.146 127 HB2 TRP 21 HB2 TRP 21 8.431 3.324 -1.543 128 HB3 TRP 21 HB3 TRP 21 9.997 2.895 -2.225 129 HD1 TRP 21 HD1 TRP 21 11.758 1.716 -0.619 130 HE1 TRP 21 HE1 TRP 21 11.524 0.583 1.680 131 HE3 TRP 21 HE3 TRP 21 7.141 3.480 0.689 132 HZ2 TRP 21 HZ2 TRP 21 9.633 0.454 3.772 133 HZ3 TRP 21 HZ3 TRP 21 6.191 2.804 2.855 134 HH2 TRP 21 HH2 TRP 21 7.412 1.322 4.363 135 H GLY 22 H GLY 22 7.494 5.349 -0.953 136 HA2 GLY 22 HA2 GLY 22 7.286 5.610 1.814 137 HA3 GLY 22 HA3 GLY 22 7.672 7.202 1.178 138 H CYS 23 H CYS 23 5.319 6.774 2.527 139 HA CYS 23 HA CYS 23 3.265 6.600 0.434 140 HB2 CYS 23 HB2 CYS 23 3.325 6.022 3.335 141 HB3 CYS 23 HB3 CYS 23 1.845 6.763 2.734 142 H CYS 24 H CYS 24 2.458 8.417 -0.355 143 HA CYS 24 HA CYS 24 2.533 10.838 1.326 144 HB2 CYS 24 HB2 CYS 24 2.623 12.094 -0.871 145 HB3 CYS 24 HB3 CYS 24 4.071 11.181 -0.459 Start of MODEL 16 1 H1 CYS 1 H CYS 1 6.117 0.167 -2.694 2 HA CYS 1 HA CYS 1 4.301 -0.379 -0.444 3 HB2 CYS 1 HB2 CYS 1 3.549 -0.094 -3.359 4 HB3 CYS 1 HB3 CYS 1 2.475 -0.729 -2.117 5 H ASP 2 H ASP 2 3.880 -2.490 -0.040 6 HA ASP 2 HA ASP 2 4.120 -4.591 -1.897 7 HB2 ASP 2 HB2 ASP 2 6.587 -3.792 -1.371 8 HB3 ASP 2 HB3 ASP 2 6.356 -4.769 0.076 9 H MET 3 H MET 3 4.345 -6.786 -0.631 10 HA MET 3 HA MET 3 2.178 -6.961 1.118 11 HB2 MET 3 HB2 MET 3 4.490 -8.881 0.792 12 HB3 MET 3 HB3 MET 3 2.960 -9.257 1.573 13 HG2 MET 3 HG2 MET 3 1.791 -8.862 -0.538 14 HG3 MET 3 HG3 MET 3 3.330 -8.505 -1.317 15 HE1 MET 3 HE1 MET 3 5.207 -10.028 -1.584 16 HE2 MET 3 HE2 MET 3 5.319 -10.964 -0.094 17 HE3 MET 3 HE3 MET 3 5.124 -11.788 -1.641 18 H GLU 4 H GLU 4 5.622 -6.609 1.751 19 HA GLU 4 HA GLU 4 5.595 -7.128 4.506 20 HB2 GLU 4 HB2 GLU 4 7.396 -5.502 2.734 21 HB3 GLU 4 HB3 GLU 4 7.648 -5.548 4.473 22 HG2 GLU 4 HG2 GLU 4 7.646 -7.921 2.622 23 HG3 GLU 4 HG3 GLU 4 9.065 -7.155 3.332 24 H VAL 5 H VAL 5 5.488 -3.991 2.812 25 HA VAL 5 HA VAL 5 4.106 -2.879 5.165 26 HB VAL 5 HB VAL 5 6.397 -2.021 5.094 27 HG11 VAL 5 HG11 VAL 5 6.155 -2.140 2.378 28 HG12 VAL 5 HG12 VAL 5 6.026 -0.408 2.681 29 HG13 VAL 5 HG13 VAL 5 7.439 -1.299 3.246 30 HG21 VAL 5 HG21 VAL 5 4.010 -0.457 5.066 31 HG22 VAL 5 HG22 VAL 5 5.504 -0.182 5.962 32 HG23 VAL 5 HG23 VAL 5 5.316 0.477 4.337 33 H SER 6 H SER 6 2.221 -1.915 4.756 34 HA SER 6 HA SER 6 1.559 -1.317 1.947 35 HB2 SER 6 HB2 SER 6 0.254 -3.168 3.079 36 HB3 SER 6 HB3 SER 6 -0.416 -1.937 4.150 37 HG SER 6 HG SER 6 -0.615 -1.949 1.317 38 H CYS 7 H CYS 7 -0.606 0.204 2.114 39 HA CYS 7 HA CYS 7 0.273 2.549 3.667 40 HB2 CYS 7 HB2 CYS 7 0.228 2.511 1.027 41 HB3 CYS 7 HB3 CYS 7 -1.490 2.815 1.266 42 HA PRO 8 HA PRO 8 -3.870 1.249 5.314 43 HB2 PRO 8 HB2 PRO 8 -3.190 1.559 7.924 44 HB3 PRO 8 HB3 PRO 8 -2.901 0.063 7.026 45 HG2 PRO 8 HG2 PRO 8 -1.000 2.287 7.665 46 HG3 PRO 8 HG3 PRO 8 -0.737 0.534 7.737 47 HD2 PRO 8 HD2 PRO 8 0.132 2.055 5.672 48 HD3 PRO 8 HD3 PRO 8 -0.382 0.368 5.465 49 H ASP 9 H ASP 9 -1.700 3.908 6.134 50 HA ASP 9 HA ASP 9 -3.410 5.594 7.493 51 HB2 ASP 9 HB2 ASP 9 -1.104 6.103 5.639 52 HB3 ASP 9 HB3 ASP 9 -2.023 7.452 6.302 53 H GLY 10 H GLY 10 -3.294 4.856 4.081 54 HA2 GLY 10 HA2 GLY 10 -5.217 5.092 2.693 55 HA3 GLY 10 HA3 GLY 10 -5.767 6.401 3.730 56 H TYR 11 H TYR 11 -2.561 5.981 2.298 57 HA TYR 11 HA TYR 11 -3.025 8.455 0.763 58 HB2 TYR 11 HB2 TYR 11 -0.709 7.560 2.416 59 HB3 TYR 11 HB3 TYR 11 -0.379 8.524 0.981 60 HD1 TYR 11 HD1 TYR 11 -2.205 10.594 0.810 61 HD2 TYR 11 HD2 TYR 11 -0.741 8.774 4.367 62 HE1 TYR 11 HE1 TYR 11 -2.719 12.646 2.064 63 HE2 TYR 11 HE2 TYR 11 -1.252 10.821 5.631 64 HH TYR 11 HH TYR 11 -1.575 13.204 5.222 65 H THR 12 H THR 12 -1.206 8.639 -1.008 66 HA THR 12 HA THR 12 -1.470 6.237 -2.639 67 HB THR 12 HB THR 12 -0.153 8.746 -3.613 68 HG1 THR 12 HG1 THR 12 -2.966 8.338 -3.362 69 HG21 THR 12 HG21 THR 12 -1.607 6.419 -4.772 70 HG22 THR 12 HG22 THR 12 -1.692 7.965 -5.616 71 HG23 THR 12 HG23 THR 12 -0.127 7.209 -5.316 72 H CYS 13 H CYS 13 0.369 5.452 -3.895 73 HA CYS 13 HA CYS 13 2.699 5.166 -2.226 74 HB2 CYS 13 HB2 CYS 13 1.501 3.443 -3.864 75 HB3 CYS 13 HB3 CYS 13 2.649 4.118 -5.015 76 H CYS 14 H CYS 14 4.562 6.238 -2.374 77 HA CYS 14 HA CYS 14 5.339 7.513 -4.871 78 HB2 CYS 14 HB2 CYS 14 4.742 9.016 -2.331 79 HB3 CYS 14 HB3 CYS 14 5.856 9.653 -3.536 80 H ARG 15 H ARG 15 7.534 8.742 -4.416 81 HA ARG 15 HA ARG 15 9.169 7.059 -2.638 82 HB2 ARG 15 HB2 ARG 15 10.956 7.069 -4.298 83 HB3 ARG 15 HB3 ARG 15 9.489 6.375 -4.976 84 HG2 ARG 15 HG2 ARG 15 9.952 9.274 -5.385 85 HG3 ARG 15 HG3 ARG 15 10.957 8.140 -6.289 86 HD2 ARG 15 HD2 ARG 15 9.203 7.349 -7.515 87 HD3 ARG 15 HD3 ARG 15 8.033 7.642 -6.229 88 HE ARG 15 HE ARG 15 8.860 10.129 -7.077 89 HH11 ARG 15 HH11 ARG 15 7.315 7.350 -8.495 90 HH12 ARG 15 HH12 ARG 15 6.431 8.275 -9.663 91 HH21 ARG 15 HH21 ARG 15 7.702 11.357 -8.611 92 HH22 ARG 15 HH22 ARG 15 6.653 10.554 -9.729 93 H LEU 16 H LEU 16 10.963 8.049 -1.672 94 HA LEU 16 HA LEU 16 10.805 10.979 -1.608 95 HB2 LEU 16 HB2 LEU 16 11.673 8.898 0.344 96 HB3 LEU 16 HB3 LEU 16 12.342 10.524 0.469 97 HG LEU 16 HG LEU 16 10.438 10.157 1.983 98 HD11 LEU 16 HD11 LEU 16 10.564 12.241 -0.076 99 HD12 LEU 16 HD12 LEU 16 9.002 12.088 0.730 100 HD13 LEU 16 HD13 LEU 16 10.460 12.378 1.680 101 HD21 LEU 16 HD21 LEU 16 9.287 8.585 0.319 102 HD22 LEU 16 HD22 LEU 16 8.271 9.691 1.244 103 HD23 LEU 16 HD23 LEU 16 8.666 10.053 -0.436 104 H GLN 17 H GLN 17 12.927 12.108 -1.196 105 HA GLN 17 HA GLN 17 14.652 11.801 -3.326 106 HB2 GLN 17 HB2 GLN 17 14.379 13.697 -1.496 107 HB3 GLN 17 HB3 GLN 17 15.748 12.870 -0.765 108 HG2 GLN 17 HG2 GLN 17 16.420 14.748 -2.193 109 HG3 GLN 17 HG3 GLN 17 17.071 13.205 -2.745 110 HE21 GLN 17 HE21 GLN 17 13.870 14.651 -3.170 111 HE22 GLN 17 HE22 GLN 17 13.907 14.653 -4.897 112 H SER 18 H SER 18 14.947 10.498 -0.048 113 HA SER 18 HA SER 18 17.499 9.452 -0.159 114 HB2 SER 18 HB2 SER 18 15.089 8.182 1.163 115 HB3 SER 18 HB3 SER 18 16.777 7.855 1.553 116 HG SER 18 HG SER 18 15.239 9.723 2.571 117 H GLY 19 H GLY 19 14.526 8.191 -1.542 118 HA2 GLY 19 HA2 GLY 19 14.867 6.912 -3.641 119 HA3 GLY 19 HA3 GLY 19 16.113 6.024 -2.776 120 H ALA 20 H ALA 20 14.510 5.915 -0.308 121 HA ALA 20 HA ALA 20 13.222 3.450 -0.759 122 HB1 ALA 20 HB1 ALA 20 12.321 4.867 1.624 123 HB2 ALA 20 HB2 ALA 20 13.164 3.325 1.471 124 HB3 ALA 20 HB3 ALA 20 14.076 4.834 1.451 125 H TRP 21 H TRP 21 10.915 3.006 -0.192 126 HA TRP 21 HA TRP 21 9.215 4.842 -1.677 127 HB2 TRP 21 HB2 TRP 21 8.676 2.082 -0.563 128 HB3 TRP 21 HB3 TRP 21 7.533 3.018 -1.523 129 HD1 TRP 21 HD1 TRP 21 11.181 1.735 -1.965 130 HE1 TRP 21 HE1 TRP 21 11.449 0.963 -4.406 131 HE3 TRP 21 HE3 TRP 21 6.516 2.900 -3.701 132 HZ2 TRP 21 HZ2 TRP 21 9.889 0.862 -6.756 133 HZ3 TRP 21 HZ3 TRP 21 5.985 2.435 -6.058 134 HH2 TRP 21 HH2 TRP 21 7.638 1.437 -7.553 135 H GLY 22 H GLY 22 7.261 5.698 -0.873 136 HA2 GLY 22 HA2 GLY 22 6.698 5.420 1.973 137 HA3 GLY 22 HA3 GLY 22 7.182 7.021 1.433 138 H CYS 23 H CYS 23 4.834 7.003 2.569 139 HA CYS 23 HA CYS 23 2.813 6.727 0.455 140 HB2 CYS 23 HB2 CYS 23 2.677 6.744 3.452 141 HB3 CYS 23 HB3 CYS 23 1.252 7.162 2.507 142 H CYS 24 H CYS 24 2.579 8.536 -0.687 143 HA CYS 24 HA CYS 24 2.929 11.133 0.597 144 HB2 CYS 24 HB2 CYS 24 2.876 12.047 -1.669 145 HB3 CYS 24 HB3 CYS 24 4.037 10.728 -1.564 Start of MODEL 17 1 H1 CYS 1 H CYS 1 4.326 1.855 -1.398 2 HA CYS 1 HA CYS 1 2.042 0.230 -0.527 3 HB2 CYS 1 HB2 CYS 1 2.781 1.264 -3.273 4 HB3 CYS 1 HB3 CYS 1 1.360 0.290 -2.910 5 H ASP 2 H ASP 2 4.540 -0.846 -0.018 6 HA ASP 2 HA ASP 2 4.968 -2.829 -2.137 7 HB2 ASP 2 HB2 ASP 2 6.844 -1.412 -0.943 8 HB3 ASP 2 HB3 ASP 2 6.699 -2.655 0.296 9 H MET 3 H MET 3 5.711 -5.046 -1.140 10 HA MET 3 HA MET 3 3.436 -6.181 0.085 11 HB2 MET 3 HB2 MET 3 4.767 -8.244 0.197 12 HB3 MET 3 HB3 MET 3 4.890 -7.478 -1.381 13 HG2 MET 3 HG2 MET 3 7.039 -6.409 -0.448 14 HG3 MET 3 HG3 MET 3 6.937 -7.661 0.788 15 HE1 MET 3 HE1 MET 3 9.507 -8.874 -0.211 16 HE2 MET 3 HE2 MET 3 8.142 -9.452 0.745 17 HE3 MET 3 HE3 MET 3 8.747 -10.416 -0.603 18 H GLU 4 H GLU 4 6.543 -5.109 1.342 19 HA GLU 4 HA GLU 4 5.969 -6.110 4.000 20 HB2 GLU 4 HB2 GLU 4 8.292 -5.870 2.804 21 HB3 GLU 4 HB3 GLU 4 8.207 -4.217 3.395 22 HG2 GLU 4 HG2 GLU 4 9.459 -5.577 4.934 23 HG3 GLU 4 HG3 GLU 4 7.949 -5.062 5.683 24 H VAL 5 H VAL 5 6.295 -2.953 2.410 25 HA VAL 5 HA VAL 5 5.217 -1.646 4.800 26 HB VAL 5 HB VAL 5 6.340 -0.378 2.299 27 HG11 VAL 5 HG11 VAL 5 4.938 0.669 4.600 28 HG12 VAL 5 HG12 VAL 5 6.546 1.376 4.447 29 HG13 VAL 5 HG13 VAL 5 5.407 1.476 3.104 30 HG21 VAL 5 HG21 VAL 5 8.216 -1.354 3.198 31 HG22 VAL 5 HG22 VAL 5 8.206 0.187 4.055 32 HG23 VAL 5 HG23 VAL 5 7.603 -1.267 4.850 33 H SER 6 H SER 6 3.055 -1.704 4.845 34 HA SER 6 HA SER 6 1.542 -1.370 2.367 35 HB2 SER 6 HB2 SER 6 0.696 -2.146 5.165 36 HB3 SER 6 HB3 SER 6 -0.430 -1.932 3.825 37 HG SER 6 HG SER 6 0.180 -3.783 3.017 38 H CYS 7 H CYS 7 -0.525 -0.024 2.611 39 HA CYS 7 HA CYS 7 0.117 2.480 4.029 40 HB2 CYS 7 HB2 CYS 7 0.180 2.353 1.394 41 HB3 CYS 7 HB3 CYS 7 -1.568 2.486 1.558 42 HA PRO 8 HA PRO 8 -3.944 0.832 5.571 43 HB2 PRO 8 HB2 PRO 8 -3.393 1.271 8.193 44 HB3 PRO 8 HB3 PRO 8 -2.933 -0.213 7.351 45 HG2 PRO 8 HG2 PRO 8 -1.273 2.194 7.990 46 HG3 PRO 8 HG3 PRO 8 -0.851 0.477 8.122 47 HD2 PRO 8 HD2 PRO 8 -0.050 2.019 6.045 48 HD3 PRO 8 HD3 PRO 8 -0.396 0.287 5.870 49 H ASP 9 H ASP 9 -2.062 3.700 6.404 50 HA ASP 9 HA ASP 9 -3.982 5.250 7.642 51 HB2 ASP 9 HB2 ASP 9 -1.493 5.758 7.168 52 HB3 ASP 9 HB3 ASP 9 -2.067 6.429 5.644 53 H GLY 10 H GLY 10 -3.635 4.452 4.259 54 HA2 GLY 10 HA2 GLY 10 -5.452 4.496 2.741 55 HA3 GLY 10 HA3 GLY 10 -6.238 5.697 3.755 56 H TYR 11 H TYR 11 -2.911 5.780 2.578 57 HA TYR 11 HA TYR 11 -3.561 8.289 1.192 58 HB2 TYR 11 HB2 TYR 11 -1.047 7.245 2.464 59 HB3 TYR 11 HB3 TYR 11 -0.978 8.529 1.262 60 HD1 TYR 11 HD1 TYR 11 -3.109 7.754 4.243 61 HD2 TYR 11 HD2 TYR 11 -0.756 10.629 2.170 62 HE1 TYR 11 HE1 TYR 11 -3.600 9.410 5.994 63 HE2 TYR 11 HE2 TYR 11 -1.239 12.292 3.916 64 HH TYR 11 HH TYR 11 -2.541 11.499 6.901 65 H THR 12 H THR 12 -1.843 8.695 -0.652 66 HA THR 12 HA THR 12 -2.200 6.492 -2.524 67 HB THR 12 HB THR 12 -0.926 9.100 -3.272 68 HG1 THR 12 HG1 THR 12 -3.740 8.758 -3.236 69 HG21 THR 12 HG21 THR 12 -2.630 7.036 -4.647 70 HG22 THR 12 HG22 THR 12 -2.354 8.635 -5.337 71 HG23 THR 12 HG23 THR 12 -0.992 7.552 -5.049 72 H CYS 13 H CYS 13 -0.410 5.948 -4.020 73 HA CYS 13 HA CYS 13 1.980 5.389 -2.513 74 HB2 CYS 13 HB2 CYS 13 1.417 4.805 -5.426 75 HB3 CYS 13 HB3 CYS 13 2.653 4.060 -4.418 76 H CYS 14 H CYS 14 3.824 6.497 -2.531 77 HA CYS 14 HA CYS 14 4.414 8.275 -4.783 78 HB2 CYS 14 HB2 CYS 14 4.742 9.167 -1.917 79 HB3 CYS 14 HB3 CYS 14 4.932 10.137 -3.374 80 H ARG 15 H ARG 15 6.601 8.625 -5.170 81 HA ARG 15 HA ARG 15 8.370 6.681 -3.892 82 HB2 ARG 15 HB2 ARG 15 8.249 6.698 -6.348 83 HB3 ARG 15 HB3 ARG 15 8.783 8.374 -6.363 84 HG2 ARG 15 HG2 ARG 15 10.504 6.383 -4.994 85 HG3 ARG 15 HG3 ARG 15 10.451 6.367 -6.758 86 HD2 ARG 15 HD2 ARG 15 10.793 8.961 -6.451 87 HD3 ARG 15 HD3 ARG 15 11.464 8.462 -4.899 88 HE ARG 15 HE ARG 15 12.702 6.862 -6.736 89 HH11 ARG 15 HH11 ARG 15 12.357 10.296 -6.281 90 HH12 ARG 15 HH12 ARG 15 13.882 10.677 -7.008 91 HH21 ARG 15 HH21 ARG 15 14.713 7.351 -7.696 92 HH22 ARG 15 HH22 ARG 15 15.221 9.002 -7.814 93 H LEU 16 H LEU 16 10.000 7.231 -2.577 94 HA LEU 16 HA LEU 16 10.380 10.074 -1.997 95 HB2 LEU 16 HB2 LEU 16 11.293 7.627 -0.490 96 HB3 LEU 16 HB3 LEU 16 11.516 9.295 0.034 97 HG LEU 16 HG LEU 16 8.785 8.122 -0.415 98 HD11 LEU 16 HD11 LEU 16 10.513 7.064 1.399 99 HD12 LEU 16 HD12 LEU 16 9.733 8.327 2.350 100 HD13 LEU 16 HD13 LEU 16 8.758 7.082 1.569 101 HD21 LEU 16 HD21 LEU 16 8.560 9.940 1.554 102 HD22 LEU 16 HD22 LEU 16 9.918 10.624 0.661 103 HD23 LEU 16 HD23 LEU 16 8.384 10.328 -0.157 104 H GLN 17 H GLN 17 12.354 11.090 -2.108 105 HA GLN 17 HA GLN 17 14.140 10.370 -4.089 106 HB2 GLN 17 HB2 GLN 17 13.855 12.624 -2.898 107 HB3 GLN 17 HB3 GLN 17 14.960 11.989 -1.687 108 HG2 GLN 17 HG2 GLN 17 16.745 11.908 -3.179 109 HG3 GLN 17 HG3 GLN 17 15.691 12.005 -4.588 110 HE21 GLN 17 HE21 GLN 17 18.006 13.645 -3.483 111 HE22 GLN 17 HE22 GLN 17 17.433 15.272 -3.567 112 H SER 18 H SER 18 14.211 9.617 -0.651 113 HA SER 18 HA SER 18 16.786 8.659 -0.373 114 HB2 SER 18 HB2 SER 18 15.422 8.841 1.575 115 HB3 SER 18 HB3 SER 18 14.206 7.751 0.910 116 HG SER 18 HG SER 18 15.513 6.664 2.405 117 H GLY 19 H GLY 19 13.975 7.091 -1.792 118 HA2 GLY 19 HA2 GLY 19 14.396 5.520 -3.613 119 HA3 GLY 19 HA3 GLY 19 15.757 4.911 -2.683 120 H ALA 20 H ALA 20 12.419 5.605 -1.686 121 HA ALA 20 HA ALA 20 11.963 2.744 -1.275 122 HB1 ALA 20 HB1 ALA 20 11.272 4.658 0.925 123 HB2 ALA 20 HB2 ALA 20 11.426 2.902 0.984 124 HB3 ALA 20 HB3 ALA 20 12.866 3.908 0.835 125 H TRP 21 H TRP 21 9.644 2.318 -0.660 126 HA TRP 21 HA TRP 21 7.933 4.007 -2.319 127 HB2 TRP 21 HB2 TRP 21 7.556 1.243 -1.158 128 HB3 TRP 21 HB3 TRP 21 6.293 2.105 -2.031 129 HD1 TRP 21 HD1 TRP 21 8.779 -0.427 -2.642 130 HE1 TRP 21 HE1 TRP 21 9.401 -0.587 -5.134 131 HE3 TRP 21 HE3 TRP 21 6.808 4.005 -4.256 132 HZ2 TRP 21 HZ2 TRP 21 9.096 0.961 -7.475 133 HZ3 TRP 21 HZ3 TRP 21 7.016 4.591 -6.636 134 HH2 TRP 21 HH2 TRP 21 8.137 3.100 -8.211 135 H GLY 22 H GLY 22 7.418 5.756 -1.050 136 HA2 GLY 22 HA2 GLY 22 6.190 5.209 1.569 137 HA3 GLY 22 HA3 GLY 22 6.834 6.760 1.050 138 H CYS 23 H CYS 23 4.456 6.921 2.145 139 HA CYS 23 HA CYS 23 2.575 7.111 -0.117 140 HB2 CYS 23 HB2 CYS 23 2.192 6.220 2.701 141 HB3 CYS 23 HB3 CYS 23 0.878 7.108 1.938 142 H CYS 24 H CYS 24 1.507 9.009 -0.437 143 HA CYS 24 HA CYS 24 1.744 11.139 1.543 144 HB2 CYS 24 HB2 CYS 24 2.715 12.722 0.057 145 HB3 CYS 24 HB3 CYS 24 3.709 11.273 -0.051 Start of MODEL 18 1 H1 CYS 1 H CYS 1 8.690 -0.384 -0.507 2 HA CYS 1 HA CYS 1 6.151 -0.074 -1.168 3 HB2 CYS 1 HB2 CYS 1 8.205 1.096 -2.172 4 HB3 CYS 1 HB3 CYS 1 8.160 -0.153 -3.413 5 H ASP 2 H ASP 2 5.055 -2.082 -0.959 6 HA ASP 2 HA ASP 2 4.514 -3.344 -3.455 7 HB2 ASP 2 HB2 ASP 2 6.335 -4.678 -1.526 8 HB3 ASP 2 HB3 ASP 2 5.087 -5.682 -2.259 9 H MET 3 H MET 3 3.109 -5.456 -2.931 10 HA MET 3 HA MET 3 0.757 -4.599 -1.770 11 HB2 MET 3 HB2 MET 3 0.072 -6.964 -1.751 12 HB3 MET 3 HB3 MET 3 0.852 -6.520 -3.263 13 HG2 MET 3 HG2 MET 3 2.964 -7.504 -2.370 14 HG3 MET 3 HG3 MET 3 2.037 -8.092 -0.992 15 HE1 MET 3 HE1 MET 3 0.636 -8.580 -5.077 16 HE2 MET 3 HE2 MET 3 2.095 -7.689 -4.645 17 HE3 MET 3 HE3 MET 3 2.218 -9.339 -5.256 18 H GLU 4 H GLU 4 3.441 -6.354 -0.296 19 HA GLU 4 HA GLU 4 2.091 -6.608 2.241 20 HB2 GLU 4 HB2 GLU 4 3.855 -8.204 1.243 21 HB3 GLU 4 HB3 GLU 4 5.035 -7.021 1.788 22 HG2 GLU 4 HG2 GLU 4 5.013 -8.434 3.573 23 HG3 GLU 4 HG3 GLU 4 3.779 -7.278 4.072 24 H VAL 5 H VAL 5 4.530 -4.528 0.800 25 HA VAL 5 HA VAL 5 4.897 -3.084 3.309 26 HB VAL 5 HB VAL 5 6.208 -2.663 0.619 27 HG11 VAL 5 HG11 VAL 5 6.811 -0.684 1.443 28 HG12 VAL 5 HG12 VAL 5 6.162 -1.072 3.036 29 HG13 VAL 5 HG13 VAL 5 7.800 -1.564 2.608 30 HG21 VAL 5 HG21 VAL 5 7.712 -4.214 1.165 31 HG22 VAL 5 HG22 VAL 5 7.906 -3.554 2.789 32 HG23 VAL 5 HG23 VAL 5 6.612 -4.704 2.453 33 H SER 6 H SER 6 2.908 -2.057 3.566 34 HA SER 6 HA SER 6 2.322 0.040 1.579 35 HB2 SER 6 HB2 SER 6 0.403 -1.515 3.328 36 HB3 SER 6 HB3 SER 6 -0.054 -0.110 2.365 37 HG SER 6 HG SER 6 -0.482 -1.973 1.193 38 H CYS 7 H CYS 7 0.642 1.646 2.854 39 HA CYS 7 HA CYS 7 2.302 2.773 4.969 40 HB2 CYS 7 HB2 CYS 7 0.191 3.822 3.142 41 HB3 CYS 7 HB3 CYS 7 0.430 4.638 4.684 42 HA PRO 8 HA PRO 8 -0.319 1.771 8.340 43 HB2 PRO 8 HB2 PRO 8 -0.259 4.042 9.826 44 HB3 PRO 8 HB3 PRO 8 1.122 2.947 9.689 45 HG2 PRO 8 HG2 PRO 8 0.588 5.514 8.243 46 HG3 PRO 8 HG3 PRO 8 2.100 4.927 8.960 47 HD2 PRO 8 HD2 PRO 8 1.591 4.772 6.305 48 HD3 PRO 8 HD3 PRO 8 2.572 3.566 7.161 49 H ASP 9 H ASP 9 -0.986 5.078 7.176 50 HA ASP 9 HA ASP 9 -3.688 5.071 8.070 51 HB2 ASP 9 HB2 ASP 9 -2.138 6.844 6.188 52 HB3 ASP 9 HB3 ASP 9 -3.852 7.095 6.507 53 H GLY 10 H GLY 10 -2.087 4.126 5.113 54 HA2 GLY 10 HA2 GLY 10 -3.179 2.446 3.739 55 HA3 GLY 10 HA3 GLY 10 -4.705 3.254 4.066 56 H TYR 11 H TYR 11 -1.693 4.864 3.214 57 HA TYR 11 HA TYR 11 -3.037 6.049 0.913 58 HB2 TYR 11 HB2 TYR 11 -0.637 6.738 2.550 59 HB3 TYR 11 HB3 TYR 11 -0.714 7.326 0.893 60 HD1 TYR 11 HD1 TYR 11 -1.065 9.623 1.125 61 HD2 TYR 11 HD2 TYR 11 -3.479 6.918 3.352 62 HE1 TYR 11 HE1 TYR 11 -2.481 11.497 1.854 63 HE2 TYR 11 HE2 TYR 11 -4.902 8.785 4.087 64 HH TYR 11 HH TYR 11 -4.691 11.257 4.377 65 H THR 12 H THR 12 -1.290 6.555 -0.930 66 HA THR 12 HA THR 12 -0.506 3.932 -1.915 67 HB THR 12 HB THR 12 -0.013 5.189 -4.047 68 HG1 THR 12 HG1 THR 12 -1.388 7.332 -2.783 69 HG21 THR 12 HG21 THR 12 -2.217 4.060 -3.440 70 HG22 THR 12 HG22 THR 12 -2.821 5.678 -3.081 71 HG23 THR 12 HG23 THR 12 -2.276 5.282 -4.711 72 H CYS 13 H CYS 13 1.580 3.508 -2.809 73 HA CYS 13 HA CYS 13 3.709 4.638 -1.232 74 HB2 CYS 13 HB2 CYS 13 3.613 2.221 -1.761 75 HB3 CYS 13 HB3 CYS 13 3.832 2.601 -3.466 76 H CYS 14 H CYS 14 5.330 5.970 -1.884 77 HA CYS 14 HA CYS 14 5.278 6.900 -4.677 78 HB2 CYS 14 HB2 CYS 14 4.897 8.427 -2.213 79 HB3 CYS 14 HB3 CYS 14 6.174 9.081 -3.233 80 H ARG 15 H ARG 15 7.363 8.411 -4.951 81 HA ARG 15 HA ARG 15 9.641 6.853 -3.915 82 HB2 ARG 15 HB2 ARG 15 10.789 7.627 -6.067 83 HB3 ARG 15 HB3 ARG 15 9.556 6.382 -6.216 84 HG2 ARG 15 HG2 ARG 15 7.976 7.918 -7.077 85 HG3 ARG 15 HG3 ARG 15 8.988 9.300 -6.650 86 HD2 ARG 15 HD2 ARG 15 9.442 9.132 -8.888 87 HD3 ARG 15 HD3 ARG 15 10.718 8.110 -8.227 88 HE ARG 15 HE ARG 15 8.488 6.506 -8.746 89 HH11 ARG 15 HH11 ARG 15 10.862 8.379 -10.470 90 HH12 ARG 15 HH12 ARG 15 10.801 7.390 -11.891 91 HH21 ARG 15 HH21 ARG 15 8.398 5.196 -10.612 92 HH22 ARG 15 HH22 ARG 15 9.398 5.581 -11.971 93 H LEU 16 H LEU 16 10.791 7.984 -2.505 94 HA LEU 16 HA LEU 16 10.739 10.892 -2.564 95 HB2 LEU 16 HB2 LEU 16 11.559 8.816 -0.600 96 HB3 LEU 16 HB3 LEU 16 12.288 10.416 -0.477 97 HG LEU 16 HG LEU 16 10.391 10.185 1.034 98 HD11 LEU 16 HD11 LEU 16 10.942 12.362 -0.090 99 HD12 LEU 16 HD12 LEU 16 9.638 12.021 -1.228 100 HD13 LEU 16 HD13 LEU 16 9.283 12.210 0.490 101 HD21 LEU 16 HD21 LEU 16 9.244 8.584 -0.736 102 HD22 LEU 16 HD22 LEU 16 8.299 9.508 0.432 103 HD23 LEU 16 HD23 LEU 16 8.465 10.089 -1.225 104 H GLN 17 H GLN 17 12.528 12.201 -2.830 105 HA GLN 17 HA GLN 17 14.457 11.472 -4.663 106 HB2 GLN 17 HB2 GLN 17 13.748 13.810 -3.668 107 HB3 GLN 17 HB3 GLN 17 15.128 13.539 -2.612 108 HG2 GLN 17 HG2 GLN 17 16.645 13.702 -4.318 109 HG3 GLN 17 HG3 GLN 17 15.481 13.204 -5.546 110 HE21 GLN 17 HE21 GLN 17 17.184 15.752 -4.347 111 HE22 GLN 17 HE22 GLN 17 16.229 17.052 -4.965 112 H SER 18 H SER 18 14.673 11.481 -1.128 113 HA SER 18 HA SER 18 17.363 10.874 -0.835 114 HB2 SER 18 HB2 SER 18 16.571 9.709 1.325 115 HB3 SER 18 HB3 SER 18 16.201 11.423 1.138 116 HG SER 18 HG SER 18 14.506 9.487 1.596 117 H GLY 19 H GLY 19 14.644 8.765 -1.564 118 HA2 GLY 19 HA2 GLY 19 15.121 6.816 -2.962 119 HA3 GLY 19 HA3 GLY 19 16.579 6.578 -2.010 120 H ALA 20 H ALA 20 13.196 7.181 -1.080 121 HA ALA 20 HA ALA 20 13.088 4.531 0.152 122 HB1 ALA 20 HB1 ALA 20 12.136 5.533 2.236 123 HB2 ALA 20 HB2 ALA 20 13.846 5.873 1.972 124 HB3 ALA 20 HB3 ALA 20 12.638 7.113 1.635 125 H TRP 21 H TRP 21 10.737 4.463 1.314 126 HA TRP 21 HA TRP 21 8.857 5.212 -0.820 127 HB2 TRP 21 HB2 TRP 21 7.436 3.383 0.017 128 HB3 TRP 21 HB3 TRP 21 9.037 2.805 -0.436 129 HD1 TRP 21 HD1 TRP 21 10.698 2.099 1.588 130 HE1 TRP 21 HE1 TRP 21 10.188 1.302 3.982 131 HE3 TRP 21 HE3 TRP 21 5.840 3.650 1.942 132 HZ2 TRP 21 HZ2 TRP 21 8.013 1.326 5.781 133 HZ3 TRP 21 HZ3 TRP 21 4.615 3.223 4.033 134 HH2 TRP 21 HH2 TRP 21 5.681 2.085 5.911 135 H GLY 22 H GLY 22 7.188 6.540 -0.410 136 HA2 GLY 22 HA2 GLY 22 6.614 7.187 2.414 137 HA3 GLY 22 HA3 GLY 22 6.779 8.447 1.200 138 H CYS 23 H CYS 23 4.516 8.484 2.589 139 HA CYS 23 HA CYS 23 2.468 6.980 1.172 140 HB2 CYS 23 HB2 CYS 23 2.218 8.972 3.436 141 HB3 CYS 23 HB3 CYS 23 0.916 7.973 2.800 142 H CYS 24 H CYS 24 1.119 7.788 -0.330 143 HA CYS 24 HA CYS 24 1.165 10.686 -0.830 144 HB2 CYS 24 HB2 CYS 24 1.818 8.464 -2.693 145 HB3 CYS 24 HB3 CYS 24 0.865 9.795 -3.341 Start of MODEL 19 1 H1 CYS 1 H CYS 1 6.855 2.532 -0.181 2 HA CYS 1 HA CYS 1 4.754 0.924 0.847 3 HB2 CYS 1 HB2 CYS 1 4.576 2.965 -0.696 4 HB3 CYS 1 HB3 CYS 1 4.972 1.861 -2.009 5 H ASP 2 H ASP 2 3.772 -0.921 -0.205 6 HA ASP 2 HA ASP 2 5.073 -2.409 -2.222 7 HB2 ASP 2 HB2 ASP 2 6.642 -2.670 -0.202 8 HB3 ASP 2 HB3 ASP 2 5.370 -3.667 0.498 9 H MET 3 H MET 3 4.152 -4.685 -2.358 10 HA MET 3 HA MET 3 1.350 -4.553 -2.321 11 HB2 MET 3 HB2 MET 3 3.374 -6.656 -2.860 12 HB3 MET 3 HB3 MET 3 1.743 -7.202 -2.498 13 HG2 MET 3 HG2 MET 3 0.980 -5.565 -4.296 14 HG3 MET 3 HG3 MET 3 2.677 -5.482 -4.765 15 HE1 MET 3 HE1 MET 3 3.548 -9.086 -5.645 16 HE2 MET 3 HE2 MET 3 3.969 -7.803 -4.511 17 HE3 MET 3 HE3 MET 3 2.977 -9.160 -3.978 18 H GLU 4 H GLU 4 3.639 -6.122 -0.119 19 HA GLU 4 HA GLU 4 1.448 -6.951 1.621 20 HB2 GLU 4 HB2 GLU 4 3.385 -8.476 1.066 21 HB3 GLU 4 HB3 GLU 4 4.404 -7.410 2.023 22 HG2 GLU 4 HG2 GLU 4 3.053 -7.865 3.995 23 HG3 GLU 4 HG3 GLU 4 2.004 -8.913 3.042 24 H VAL 5 H VAL 5 4.261 -4.820 1.615 25 HA VAL 5 HA VAL 5 3.649 -3.862 4.295 26 HB VAL 5 HB VAL 5 5.817 -2.928 2.410 27 HG11 VAL 5 HG11 VAL 5 5.515 -2.588 5.393 28 HG12 VAL 5 HG12 VAL 5 6.850 -1.998 4.403 29 HG13 VAL 5 HG13 VAL 5 5.231 -1.335 4.185 30 HG21 VAL 5 HG21 VAL 5 6.448 -5.110 2.757 31 HG22 VAL 5 HG22 VAL 5 7.209 -4.325 4.141 32 HG23 VAL 5 HG23 VAL 5 5.687 -5.193 4.346 33 H SER 6 H SER 6 2.347 -2.202 4.660 34 HA SER 6 HA SER 6 2.207 -0.014 2.728 35 HB2 SER 6 HB2 SER 6 -0.330 -1.195 3.851 36 HB3 SER 6 HB3 SER 6 -0.152 -0.044 2.527 37 HG SER 6 HG SER 6 0.638 -1.658 1.237 38 H CYS 7 H CYS 7 0.771 1.799 3.670 39 HA CYS 7 HA CYS 7 1.708 2.273 6.385 40 HB2 CYS 7 HB2 CYS 7 0.696 3.974 4.155 41 HB3 CYS 7 HB3 CYS 7 0.507 4.573 5.800 42 HA PRO 8 HA PRO 8 -2.117 1.711 8.456 43 HB2 PRO 8 HB2 PRO 8 -2.130 3.763 10.233 44 HB3 PRO 8 HB3 PRO 8 -1.060 2.365 10.388 45 HG2 PRO 8 HG2 PRO 8 -0.470 5.090 9.299 46 HG3 PRO 8 HG3 PRO 8 0.511 4.079 10.375 47 HD2 PRO 8 HD2 PRO 8 0.994 4.275 7.718 48 HD3 PRO 8 HD3 PRO 8 1.314 2.791 8.640 49 H ASP 9 H ASP 9 -1.590 5.155 7.686 50 HA ASP 9 HA ASP 9 -4.210 6.023 7.767 51 HB2 ASP 9 HB2 ASP 9 -1.863 6.902 6.098 52 HB3 ASP 9 HB3 ASP 9 -3.426 7.705 5.981 53 H GLY 10 H GLY 10 -2.572 4.168 5.302 54 HA2 GLY 10 HA2 GLY 10 -3.618 2.814 3.704 55 HA3 GLY 10 HA3 GLY 10 -5.132 3.648 4.021 56 H TYR 11 H TYR 11 -2.009 5.082 3.184 57 HA TYR 11 HA TYR 11 -3.290 6.495 0.988 58 HB2 TYR 11 HB2 TYR 11 -0.863 6.864 2.627 59 HB3 TYR 11 HB3 TYR 11 -0.710 7.347 0.941 60 HD1 TYR 11 HD1 TYR 11 -3.120 8.588 0.189 61 HD2 TYR 11 HD2 TYR 11 -1.231 8.672 4.001 62 HE1 TYR 11 HE1 TYR 11 -4.244 10.717 0.693 63 HE2 TYR 11 HE2 TYR 11 -2.351 10.800 4.516 64 HH TYR 11 HH TYR 11 -3.692 12.752 2.306 65 H THR 12 H THR 12 -1.600 6.856 -0.934 66 HA THR 12 HA THR 12 -1.200 4.200 -2.054 67 HB THR 12 HB THR 12 -2.342 5.984 -3.376 68 HG1 THR 12 HG1 THR 12 -1.432 5.256 -5.223 69 HG21 THR 12 HG21 THR 12 -1.441 8.003 -3.672 70 HG22 THR 12 HG22 THR 12 -0.156 7.535 -2.558 71 HG23 THR 12 HG23 THR 12 0.053 7.299 -4.293 72 H CYS 13 H CYS 13 0.797 4.042 -3.572 73 HA CYS 13 HA CYS 13 3.118 4.344 -1.892 74 HB2 CYS 13 HB2 CYS 13 3.018 3.332 -4.737 75 HB3 CYS 13 HB3 CYS 13 4.274 3.033 -3.540 76 H CYS 14 H CYS 14 4.634 5.876 -1.995 77 HA CYS 14 HA CYS 14 4.635 7.675 -4.329 78 HB2 CYS 14 HB2 CYS 14 3.858 8.416 -1.823 79 HB3 CYS 14 HB3 CYS 14 5.575 8.805 -1.774 80 H ARG 15 H ARG 15 6.778 9.093 -4.161 81 HA ARG 15 HA ARG 15 9.019 7.274 -3.586 82 HB2 ARG 15 HB2 ARG 15 8.356 8.737 -6.096 83 HB3 ARG 15 HB3 ARG 15 10.051 8.589 -5.652 84 HG2 ARG 15 HG2 ARG 15 9.681 6.110 -5.476 85 HG3 ARG 15 HG3 ARG 15 8.091 6.377 -6.193 86 HD2 ARG 15 HD2 ARG 15 8.970 6.994 -8.236 87 HD3 ARG 15 HD3 ARG 15 10.515 7.481 -7.539 88 HE ARG 15 HE ARG 15 11.263 5.332 -7.785 89 HH11 ARG 15 HH11 ARG 15 7.797 5.379 -8.108 90 HH12 ARG 15 HH12 ARG 15 7.692 3.725 -8.615 91 HH21 ARG 15 HH21 ARG 15 11.137 3.154 -8.452 92 HH22 ARG 15 HH22 ARG 15 9.592 2.461 -8.809 93 H LEU 16 H LEU 16 10.649 8.139 -2.454 94 HA LEU 16 HA LEU 16 10.443 10.934 -1.675 95 HB2 LEU 16 HB2 LEU 16 11.777 8.515 -0.617 96 HB3 LEU 16 HB3 LEU 16 12.566 10.058 -0.297 97 HG LEU 16 HG LEU 16 10.073 10.662 0.497 98 HD11 LEU 16 HD11 LEU 16 8.758 8.918 0.865 99 HD12 LEU 16 HD12 LEU 16 9.962 7.879 0.102 100 HD13 LEU 16 HD13 LEU 16 10.002 8.143 1.846 101 HD21 LEU 16 HD21 LEU 16 10.846 10.326 2.755 102 HD22 LEU 16 HD22 LEU 16 12.079 9.193 2.203 103 HD23 LEU 16 HD23 LEU 16 12.187 10.897 1.762 104 H GLN 17 H GLN 17 11.919 12.501 -2.131 105 HA GLN 17 HA GLN 17 13.389 12.417 -4.465 106 HB2 GLN 17 HB2 GLN 17 12.708 14.410 -2.900 107 HB3 GLN 17 HB3 GLN 17 14.305 14.156 -2.207 108 HG2 GLN 17 HG2 GLN 17 15.280 14.431 -4.463 109 HG3 GLN 17 HG3 GLN 17 13.669 14.807 -5.075 110 HE21 GLN 17 HE21 GLN 17 14.100 16.878 -5.687 111 HE22 GLN 17 HE22 GLN 17 14.459 18.148 -4.573 112 H SER 18 H SER 18 14.566 11.984 -1.137 113 HA SER 18 HA SER 18 17.265 11.669 -1.669 114 HB2 SER 18 HB2 SER 18 17.255 10.209 0.428 115 HB3 SER 18 HB3 SER 18 16.602 11.838 0.604 116 HG SER 18 HG SER 18 15.374 9.866 1.433 117 H GLY 19 H GLY 19 14.639 9.346 -1.956 118 HA2 GLY 19 HA2 GLY 19 14.955 7.689 -3.772 119 HA3 GLY 19 HA3 GLY 19 16.570 7.437 -3.125 120 H ALA 20 H ALA 20 13.684 7.827 -1.162 121 HA ALA 20 HA ALA 20 13.980 5.020 -0.309 122 HB1 ALA 20 HB1 ALA 20 12.970 5.792 1.854 123 HB2 ALA 20 HB2 ALA 20 14.573 6.439 1.506 124 HB3 ALA 20 HB3 ALA 20 13.144 7.446 1.267 125 H TRP 21 H TRP 21 11.859 4.241 0.798 126 HA TRP 21 HA TRP 21 9.692 4.756 -1.112 127 HB2 TRP 21 HB2 TRP 21 9.980 2.465 0.842 128 HB3 TRP 21 HB3 TRP 21 8.786 2.606 -0.446 129 HD1 TRP 21 HD1 TRP 21 12.097 1.145 0.253 130 HE1 TRP 21 HE1 TRP 21 13.204 0.320 -1.920 131 HE3 TRP 21 HE3 TRP 21 9.020 3.417 -3.138 132 HZ2 TRP 21 HZ2 TRP 21 12.823 0.597 -4.703 133 HZ3 TRP 21 HZ3 TRP 21 9.460 3.087 -5.537 134 HH2 TRP 21 HH2 TRP 21 11.323 1.707 -6.301 135 H GLY 22 H GLY 22 7.669 5.392 -0.477 136 HA2 GLY 22 HA2 GLY 22 7.047 5.597 2.362 137 HA3 GLY 22 HA3 GLY 22 7.178 7.117 1.489 138 H CYS 23 H CYS 23 4.880 7.144 2.386 139 HA CYS 23 HA CYS 23 3.089 6.034 0.329 140 HB2 CYS 23 HB2 CYS 23 1.347 5.902 2.180 141 HB3 CYS 23 HB3 CYS 23 2.639 4.708 2.241 142 H CYS 24 H CYS 24 2.082 7.579 -0.756 143 HA CYS 24 HA CYS 24 1.938 10.268 0.373 144 HB2 CYS 24 HB2 CYS 24 2.006 9.116 -2.332 145 HB3 CYS 24 HB3 CYS 24 0.889 10.464 -2.149 Start of MODEL 20 1 H1 CYS 1 H CYS 1 5.685 1.613 -0.696 2 HA CYS 1 HA CYS 1 3.270 0.051 -0.677 3 HB2 CYS 1 HB2 CYS 1 5.111 1.084 -2.811 4 HB3 CYS 1 HB3 CYS 1 3.895 -0.127 -3.205 5 H ASP 2 H ASP 2 4.607 -1.498 0.822 6 HA ASP 2 HA ASP 2 5.710 -3.624 -0.895 7 HB2 ASP 2 HB2 ASP 2 6.497 -3.085 1.974 8 HB3 ASP 2 HB3 ASP 2 7.218 -4.261 0.878 9 H MET 3 H MET 3 5.625 -5.814 0.291 10 HA MET 3 HA MET 3 2.917 -6.441 0.763 11 HB2 MET 3 HB2 MET 3 5.350 -8.093 1.458 12 HB3 MET 3 HB3 MET 3 3.706 -8.687 1.271 13 HG2 MET 3 HG2 MET 3 3.733 -8.391 -1.040 14 HG3 MET 3 HG3 MET 3 5.122 -7.308 -0.976 15 HE1 MET 3 HE1 MET 3 5.268 -11.653 0.232 16 HE2 MET 3 HE2 MET 3 3.863 -10.590 0.156 17 HE3 MET 3 HE3 MET 3 4.381 -11.471 -1.281 18 H GLU 4 H GLU 4 5.697 -6.204 2.967 19 HA GLU 4 HA GLU 4 4.199 -6.812 5.305 20 HB2 GLU 4 HB2 GLU 4 6.855 -5.402 5.002 21 HB3 GLU 4 HB3 GLU 4 6.190 -5.983 6.522 22 HG2 GLU 4 HG2 GLU 4 6.244 -8.274 5.664 23 HG3 GLU 4 HG3 GLU 4 6.933 -7.684 4.152 24 H VAL 5 H VAL 5 5.637 -3.734 4.211 25 HA VAL 5 HA VAL 5 3.891 -2.267 6.019 26 HB VAL 5 HB VAL 5 5.945 -1.144 4.113 27 HG11 VAL 5 HG11 VAL 5 5.276 0.844 4.836 28 HG12 VAL 5 HG12 VAL 5 4.003 0.063 5.774 29 HG13 VAL 5 HG13 VAL 5 5.579 0.362 6.505 30 HG21 VAL 5 HG21 VAL 5 6.278 -1.911 7.013 31 HG22 VAL 5 HG22 VAL 5 6.996 -2.744 5.634 32 HG23 VAL 5 HG23 VAL 5 7.479 -1.091 6.015 33 H SER 6 H SER 6 1.949 -1.623 5.391 34 HA SER 6 HA SER 6 1.496 -1.091 2.527 35 HB2 SER 6 HB2 SER 6 0.232 -3.018 3.704 36 HB3 SER 6 HB3 SER 6 -0.700 -1.739 4.482 37 HG SER 6 HG SER 6 -0.364 -1.895 1.676 38 H CYS 7 H CYS 7 -0.653 0.342 2.368 39 HA CYS 7 HA CYS 7 -0.231 2.665 4.132 40 HB2 CYS 7 HB2 CYS 7 -1.067 2.685 1.224 41 HB3 CYS 7 HB3 CYS 7 -0.840 4.103 2.244 42 HA PRO 8 HA PRO 8 -4.602 1.177 4.628 43 HB2 PRO 8 HB2 PRO 8 -4.613 1.386 7.334 44 HB3 PRO 8 HB3 PRO 8 -4.051 -0.058 6.485 45 HG2 PRO 8 HG2 PRO 8 -2.459 2.186 7.666 46 HG3 PRO 8 HG3 PRO 8 -2.155 0.440 7.737 47 HD2 PRO 8 HD2 PRO 8 -0.853 2.076 6.017 48 HD3 PRO 8 HD3 PRO 8 -1.233 0.387 5.625 49 H ASP 9 H ASP 9 -2.814 3.852 6.077 50 HA ASP 9 HA ASP 9 -4.879 5.426 7.012 51 HB2 ASP 9 HB2 ASP 9 -2.393 6.426 5.609 52 HB3 ASP 9 HB3 ASP 9 -3.388 7.329 6.748 53 H GLY 10 H GLY 10 -3.857 4.855 3.721 54 HA2 GLY 10 HA2 GLY 10 -5.484 5.091 1.950 55 HA3 GLY 10 HA3 GLY 10 -6.148 6.472 2.811 56 H TYR 11 H TYR 11 -2.744 5.789 2.148 57 HA TYR 11 HA TYR 11 -2.597 8.354 0.728 58 HB2 TYR 11 HB2 TYR 11 -0.611 6.731 2.280 59 HB3 TYR 11 HB3 TYR 11 -0.047 7.887 1.078 60 HD1 TYR 11 HD1 TYR 11 -1.712 10.181 1.348 61 HD2 TYR 11 HD2 TYR 11 -0.295 7.577 4.400 62 HE1 TYR 11 HE1 TYR 11 -1.928 11.999 2.991 63 HE2 TYR 11 HE2 TYR 11 -0.508 9.387 6.052 64 HH TYR 11 HH TYR 11 -0.476 12.131 5.788 65 H THR 12 H THR 12 -1.195 8.506 -1.153 66 HA THR 12 HA THR 12 -1.532 6.189 -2.882 67 HB THR 12 HB THR 12 -0.500 7.897 -4.590 68 HG1 THR 12 HG1 THR 12 -0.069 9.376 -2.712 69 HG21 THR 12 HG21 THR 12 -3.067 9.015 -4.077 70 HG22 THR 12 HG22 THR 12 -2.607 7.837 -5.307 71 HG23 THR 12 HG23 THR 12 -3.133 7.290 -3.715 72 H CYS 13 H CYS 13 0.267 5.656 -4.417 73 HA CYS 13 HA CYS 13 2.661 5.141 -2.901 74 HB2 CYS 13 HB2 CYS 13 1.406 3.688 -4.752 75 HB3 CYS 13 HB3 CYS 13 2.522 4.539 -5.814 76 H CYS 14 H CYS 14 4.434 6.347 -2.869 77 HA CYS 14 HA CYS 14 4.977 8.136 -5.140 78 HB2 CYS 14 HB2 CYS 14 5.466 8.910 -2.263 79 HB3 CYS 14 HB3 CYS 14 5.577 9.937 -3.688 80 H ARG 15 H ARG 15 7.324 9.127 -4.711 81 HA ARG 15 HA ARG 15 9.085 6.890 -3.954 82 HB2 ARG 15 HB2 ARG 15 10.632 7.803 -5.776 83 HB3 ARG 15 HB3 ARG 15 9.206 6.918 -6.301 84 HG2 ARG 15 HG2 ARG 15 8.923 9.847 -6.037 85 HG3 ARG 15 HG3 ARG 15 9.943 9.255 -7.351 86 HD2 ARG 15 HD2 ARG 15 7.881 7.631 -7.717 87 HD3 ARG 15 HD3 ARG 15 7.019 8.945 -6.916 88 HE ARG 15 HE ARG 15 8.152 8.966 -9.566 89 HH11 ARG 15 HH11 ARG 15 7.057 10.895 -6.882 90 HH12 ARG 15 HH12 ARG 15 6.756 12.301 -7.848 91 HH21 ARG 15 HH21 ARG 15 7.760 10.811 -10.847 92 HH22 ARG 15 HH22 ARG 15 7.155 12.252 -10.103 93 H LEU 16 H LEU 16 10.721 7.365 -2.612 94 HA LEU 16 HA LEU 16 10.940 10.103 -1.652 95 HB2 LEU 16 HB2 LEU 16 12.064 7.486 -0.683 96 HB3 LEU 16 HB3 LEU 16 12.484 9.037 0.041 97 HG LEU 16 HG LEU 16 9.637 8.094 -0.134 98 HD11 LEU 16 HD11 LEU 16 9.937 7.349 2.233 99 HD12 LEU 16 HD12 LEU 16 10.744 6.338 1.034 100 HD13 LEU 16 HD13 LEU 16 11.678 7.486 1.993 101 HD21 LEU 16 HD21 LEU 16 9.166 9.775 1.367 102 HD22 LEU 16 HD22 LEU 16 10.816 9.831 1.988 103 HD23 LEU 16 HD23 LEU 16 10.445 10.519 0.407 104 H GLN 17 H GLN 17 12.641 11.422 -1.972 105 HA GLN 17 HA GLN 17 14.378 11.084 -4.096 106 HB2 GLN 17 HB2 GLN 17 15.622 12.986 -3.212 107 HB3 GLN 17 HB3 GLN 17 13.892 13.259 -3.065 108 HG2 GLN 17 HG2 GLN 17 14.336 12.209 -0.662 109 HG3 GLN 17 HG3 GLN 17 15.940 12.873 -0.969 110 HE21 GLN 17 HE21 GLN 17 13.157 13.523 0.509 111 HE22 GLN 17 HE22 GLN 17 13.130 15.247 0.401 112 H SER 18 H SER 18 14.793 10.212 -0.717 113 HA SER 18 HA SER 18 17.507 9.729 -0.610 114 HB2 SER 18 HB2 SER 18 16.510 9.459 1.450 115 HB3 SER 18 HB3 SER 18 15.138 8.569 0.788 116 HG SER 18 HG SER 18 16.464 7.158 1.929 117 H GLY 19 H GLY 19 14.958 7.745 -2.001 118 HA2 GLY 19 HA2 GLY 19 15.677 6.418 -3.968 119 HA3 GLY 19 HA3 GLY 19 17.048 5.906 -2.995 120 H ALA 20 H ALA 20 13.610 6.156 -2.146 121 HA ALA 20 HA ALA 20 13.370 3.260 -2.061 122 HB1 ALA 20 HB1 ALA 20 13.565 2.999 0.134 123 HB2 ALA 20 HB2 ALA 20 14.042 4.692 0.264 124 HB3 ALA 20 HB3 ALA 20 12.345 4.239 0.426 125 H TRP 21 H TRP 21 11.111 2.606 -1.427 126 HA TRP 21 HA TRP 21 9.230 4.447 -2.700 127 HB2 TRP 21 HB2 TRP 21 8.885 1.531 -1.968 128 HB3 TRP 21 HB3 TRP 21 7.754 2.504 -2.905 129 HD1 TRP 21 HD1 TRP 21 11.116 0.712 -3.190 130 HE1 TRP 21 HE1 TRP 21 11.748 0.532 -5.679 131 HE3 TRP 21 HE3 TRP 21 7.427 3.641 -5.177 132 HZ2 TRP 21 HZ2 TRP 21 10.807 1.503 -8.156 133 HZ3 TRP 21 HZ3 TRP 21 7.364 3.965 -7.615 134 HH2 TRP 21 HH2 TRP 21 9.020 2.918 -9.072 135 H GLY 22 H GLY 22 7.409 5.230 -1.712 136 HA2 GLY 22 HA2 GLY 22 6.734 4.336 0.978 137 HA3 GLY 22 HA3 GLY 22 7.286 5.998 0.832 138 H CYS 23 H CYS 23 5.199 6.610 1.664 139 HA CYS 23 HA CYS 23 3.187 6.736 -0.472 140 HB2 CYS 23 HB2 CYS 23 2.909 5.503 2.173 141 HB3 CYS 23 HB3 CYS 23 1.653 6.684 1.814 142 H CYS 24 H CYS 24 2.170 8.669 -0.687 143 HA CYS 24 HA CYS 24 2.433 10.677 1.412 144 HB2 CYS 24 HB2 CYS 24 3.443 12.326 0.028 145 HB3 CYS 24 HB3 CYS 24 4.412 10.868 -0.160
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