NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586248 | 2mi9 | 18998 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.940 -0.037 0.912 2 HA CYS 1 HA CYS 1 2.948 0.751 -1.130 3 HB2 CYS 1 HB2 CYS 1 3.249 -1.440 -2.405 4 HB3 CYS 1 HB3 CYS 1 3.733 -1.440 -0.713 5 H ILE 2 H ILE 2 1.068 2.164 -1.778 6 HA ILE 2 HA ILE 2 -0.276 2.971 -3.427 7 HB ILE 2 HB ILE 2 0.735 0.636 -5.055 8 HG12 ILE 2 2HG1 ILE 2 2.563 2.049 -4.178 9 HG13 ILE 2 3HG1 ILE 2 2.410 2.183 -5.927 10 HG21 ILE 2 1HG2 ILE 2 -1.159 1.506 -6.143 11 HG22 ILE 2 2HG2 ILE 2 -0.709 3.170 -5.772 12 HG23 ILE 2 3HG2 ILE 2 0.221 2.248 -6.953 13 HD11 ILE 2 3HD1 ILE 2 0.796 4.201 -4.835 14 HD12 ILE 2 1HD1 ILE 2 2.316 4.229 -3.942 15 HD13 ILE 2 2HD1 ILE 2 2.323 4.376 -5.700 16 H ALA 3 H ALA 3 -2.366 2.808 -2.944 17 HA ALA 3 HA ALA 3 -3.741 0.448 -2.337 18 HB1 ALA 3 1HB ALA 3 -4.737 3.155 -3.199 19 HB2 ALA 3 HB2 ALA 3 -5.802 1.846 -2.686 20 HB3 ALA 3 HB3 ALA 3 -4.619 2.512 -1.560 21 H HIS 4 H HIS 4 -5.566 -0.501 -3.519 22 HA HIS 4 HA HIS 4 -4.873 -1.521 -5.982 23 HB2 HIS 4 HB2 HIS 4 -7.282 -1.471 -4.327 24 HB3 HIS 4 HB3 HIS 4 -7.636 -1.584 -6.048 25 HD1 HIS 4 HD1 HIS 4 -5.430 -3.349 -3.498 26 HD2 HIS 4 HD2 HIS 4 -7.545 -4.118 -6.990 27 HE1 HIS 4 HE1 HIS 4 -5.218 -5.825 -3.880 28 H TYR 5 H TYR 5 -4.681 -0.634 -7.920 29 HA TYR 5 HA TYR 5 -4.937 0.746 -9.709 30 HB2 TYR 5 HB2 TYR 5 -7.669 1.481 -8.692 31 HB3 TYR 5 HB3 TYR 5 -7.117 1.337 -10.357 32 HD1 TYR 5 HD1 TYR 5 -5.776 -1.324 -10.227 33 HD2 TYR 5 HD2 TYR 5 -9.485 0.002 -8.618 34 HE1 TYR 5 HE1 TYR 5 -6.630 -3.629 -10.313 35 HE2 TYR 5 HE2 TYR 5 -10.349 -2.299 -8.698 36 HH TYR 5 HH TYR 5 -8.360 -4.966 -9.946 37 H GLY 6 H GLY 6 -3.755 1.798 -7.327 38 HA2 GLY 6 2HA GLY 6 -4.720 4.564 -7.213 39 HA3 GLY 6 3HA GLY 6 -3.568 3.826 -6.110 40 H LYS 7 H LYS 7 -3.057 6.301 -7.146 41 HA LYS 7 HA LYS 7 -1.495 6.226 -9.522 42 HB2 LYS 7 HB2 LYS 7 -2.459 8.203 -7.743 43 HB3 LYS 7 HB3 LYS 7 -0.710 8.383 -7.797 44 HG2 LYS 7 2HG LYS 7 -1.886 8.018 -10.431 45 HG3 LYS 7 3HG LYS 7 -2.507 9.438 -9.587 46 HD2 LYS 7 2HD LYS 7 0.421 8.803 -9.942 47 HD3 LYS 7 3HD LYS 7 -0.497 9.899 -10.977 48 HE2 LYS 7 2HE LYS 7 -1.109 10.945 -8.593 49 HE3 LYS 7 3HE LYS 7 0.465 10.256 -8.199 50 HZ1 LYS 7 3HZ LYS 7 0.169 12.672 -9.230 51 HZ2 LYS 7 1HZ LYS 7 0.300 11.789 -10.667 52 HZ3 LYS 7 2HZ LYS 7 1.538 11.719 -9.517 53 H CYS 8 H CYS 8 0.781 6.442 -9.731 54 HA CYS 8 HA CYS 8 2.287 5.386 -7.427 55 HB2 CYS 8 HB2 CYS 8 2.018 4.336 -10.051 56 HB3 CYS 8 HB3 CYS 8 3.672 4.917 -9.888 57 H ASP 9 H ASP 9 4.393 6.169 -7.083 58 HA ASP 9 HA ASP 9 4.745 8.926 -7.740 59 HB2 ASP 9 HB2 ASP 9 6.339 6.903 -6.199 60 HB3 ASP 9 HB3 ASP 9 7.042 8.469 -6.595 61 H GLY 10 H GLY 10 6.126 5.898 -8.872 62 HA2 GLY 10 2HA GLY 10 6.795 5.923 -11.257 63 HA3 GLY 10 3HA GLY 10 7.615 7.439 -10.910 64 H ILE 11 H ILE 11 9.304 7.267 -9.118 65 HA ILE 11 HA ILE 11 11.303 5.486 -9.918 66 HB ILE 11 HB ILE 11 11.256 7.689 -8.324 67 HG12 ILE 11 2HG1 ILE 11 13.172 6.951 -9.615 68 HG13 ILE 11 3HG1 ILE 11 13.673 7.232 -7.951 69 HG21 ILE 11 1HG2 ILE 11 11.906 7.142 -6.101 70 HG22 ILE 11 2HG2 ILE 11 10.423 6.254 -6.445 71 HG23 ILE 11 3HG2 ILE 11 11.978 5.421 -6.480 72 HD11 ILE 11 3HD1 ILE 11 13.126 4.567 -9.232 73 HD12 ILE 11 1HD1 ILE 11 14.700 5.229 -8.796 74 HD13 ILE 11 2HD1 ILE 11 13.539 4.811 -7.536 75 H ILE 12 H ILE 12 8.724 5.122 -7.634 76 HA ILE 12 HA ILE 12 9.904 2.680 -6.535 77 HB ILE 12 HB ILE 12 7.349 4.089 -5.754 78 HG12 ILE 12 2HG1 ILE 12 9.320 4.118 -3.701 79 HG13 ILE 12 3HG1 ILE 12 10.082 4.691 -5.180 80 HG21 ILE 12 1HG2 ILE 12 6.995 1.937 -5.036 81 HG22 ILE 12 2HG2 ILE 12 8.712 1.621 -4.793 82 HG23 ILE 12 3HG2 ILE 12 7.829 2.620 -3.640 83 HD11 ILE 12 3HD1 ILE 12 9.237 6.579 -4.028 84 HD12 ILE 12 1HD1 ILE 12 8.189 6.306 -5.419 85 HD13 ILE 12 2HD1 ILE 12 7.661 5.819 -3.808 86 H ASN 13 H ASN 13 9.687 1.176 -8.153 87 HA ASN 13 HA ASN 13 7.106 0.783 -9.428 88 HB2 ASN 13 HB2 ASN 13 9.755 -0.639 -9.765 89 HB3 ASN 13 HB3 ASN 13 8.305 -1.006 -10.696 90 HD21 ASN 13 1HD2 ASN 13 10.447 1.677 -9.839 91 HD22 ASN 13 2HD2 ASN 13 10.332 2.483 -11.363 92 H GLN 14 H GLN 14 8.059 0.087 -6.495 93 HA GLN 14 HA GLN 14 7.504 -2.736 -6.348 94 HB2 GLN 14 HB2 GLN 14 8.016 -0.594 -4.299 95 HB3 GLN 14 HB3 GLN 14 7.509 -2.211 -3.827 96 HG2 GLN 14 2HG GLN 14 9.766 -2.437 -3.675 97 HG3 GLN 14 3HG GLN 14 9.518 -2.938 -5.347 98 HE21 GLN 14 1HE2 GLN 14 10.288 -1.684 -6.994 99 HE22 GLN 14 2HE2 GLN 14 11.309 -0.313 -6.747 100 H CYS 15 H CYS 15 5.388 -2.364 -7.513 101 HA CYS 15 HA CYS 15 3.256 -1.450 -5.723 102 HB2 CYS 15 HB2 CYS 15 3.352 -0.576 -8.063 103 HB3 CYS 15 HB3 CYS 15 3.072 -2.214 -8.643 104 H CYS 16 H CYS 16 2.657 -3.031 -4.369 105 HA CYS 16 HA CYS 16 2.869 -5.764 -4.740 106 HB2 CYS 16 HB2 CYS 16 0.723 -4.358 -3.139 107 HB3 CYS 16 HB3 CYS 16 1.293 -6.007 -2.908 108 H ASP 17 H ASP 17 -0.192 -3.941 -4.939 109 HA ASP 17 HA ASP 17 -1.026 -5.735 -7.114 110 HB2 ASP 17 HB2 ASP 17 -2.235 -5.429 -4.481 111 HB3 ASP 17 HB3 ASP 17 -3.380 -5.111 -5.781 112 HA PRO 18 HA PRO 18 -3.434 -5.869 -7.815 113 HB2 PRO 18 HB2 PRO 18 -3.993 -5.724 -10.468 114 HB3 PRO 18 HB3 PRO 18 -5.046 -5.038 -9.225 115 HG2 PRO 18 2HG PRO 18 -3.018 -3.674 -10.953 116 HG3 PRO 18 3HG PRO 18 -4.652 -3.143 -10.514 117 HD2 PRO 18 2HD PRO 18 -2.431 -2.182 -9.298 118 HD3 PRO 18 3HD PRO 18 -3.980 -2.366 -8.450 119 H TRP 19 H TRP 19 -1.370 -4.481 -10.377 120 HA TRP 19 HA TRP 19 0.227 -6.953 -10.299 121 HB2 TRP 19 HB2 TRP 19 -0.658 -5.397 -12.734 122 HB3 TRP 19 HB3 TRP 19 0.594 -6.635 -12.770 123 HD1 TRP 19 HD1 TRP 19 -3.161 -6.188 -12.682 124 HE1 TRP 19 HE1 TRP 19 -4.295 -8.488 -12.908 125 HE3 TRP 19 HE3 TRP 19 0.953 -9.178 -12.159 126 HZ2 TRP 19 HZ2 TRP 19 -3.545 -11.209 -12.870 127 HZ3 TRP 19 HZ3 TRP 19 0.659 -11.619 -12.266 128 HH2 TRP 19 HH2 TRP 19 -1.545 -12.611 -12.614 129 H LEU 20 H LEU 20 0.827 -4.289 -12.468 130 HA LEU 20 HA LEU 20 3.047 -3.385 -10.765 131 HB2 LEU 20 HB2 LEU 20 4.240 -3.034 -13.056 132 HB3 LEU 20 HB3 LEU 20 4.268 -4.608 -12.264 133 HG LEU 20 HG LEU 20 2.516 -5.407 -13.759 134 HD11 LEU 20 1HD1 LEU 20 1.138 -3.754 -14.447 135 HD12 LEU 20 2HD1 LEU 20 2.241 -3.722 -15.821 136 HD13 LEU 20 3HD1 LEU 20 2.427 -2.553 -14.515 137 HD21 LEU 20 3HD2 LEU 20 3.830 -5.181 -15.927 138 HD22 LEU 20 1HD2 LEU 20 4.686 -5.854 -14.541 139 HD23 LEU 20 2HD2 LEU 20 4.955 -4.176 -15.012 140 H CYS 21 H CYS 21 3.855 -1.230 -11.327 141 HA CYS 21 HA CYS 21 1.642 0.524 -12.018 142 HB2 CYS 21 HB2 CYS 21 4.266 0.841 -10.645 143 HB3 CYS 21 HB3 CYS 21 3.582 2.257 -11.437 144 H THR 22 H THR 22 1.394 1.462 -13.932 145 HA THR 22 HA THR 22 3.714 1.991 -15.620 146 HB THR 22 HB THR 22 1.345 0.376 -16.585 147 HG1 THR 22 HG1 THR 22 2.598 -1.218 -15.992 148 HG21 THR 22 3HG2 THR 22 3.796 1.173 -18.148 149 HG22 THR 22 1HG2 THR 22 2.280 2.070 -18.210 150 HG23 THR 22 2HG2 THR 22 2.334 0.392 -18.749 151 HA PRO 23 HA PRO 23 4.246 2.953 -17.425 152 HB2 PRO 23 HB2 PRO 23 5.281 5.459 -17.560 153 HB3 PRO 23 HB3 PRO 23 4.243 4.779 -18.819 154 HG2 PRO 23 2HG PRO 23 3.539 6.646 -16.588 155 HG3 PRO 23 3HG PRO 23 3.035 6.693 -18.287 156 HD2 PRO 23 2HD PRO 23 1.442 5.731 -16.321 157 HD3 PRO 23 3HD PRO 23 1.403 5.094 -17.978 158 HA PRO 24 HA PRO 24 6.724 3.049 -13.794 159 HB2 PRO 24 HB2 PRO 24 9.218 3.535 -14.748 160 HB3 PRO 24 HB3 PRO 24 8.382 1.996 -14.985 161 HG2 PRO 24 2HG PRO 24 8.674 4.303 -16.871 162 HG3 PRO 24 3HG PRO 24 8.817 2.566 -17.197 163 HD2 PRO 24 2HD PRO 24 6.583 3.979 -17.783 164 HD3 PRO 24 3HD PRO 24 6.534 2.270 -17.305 165 H ILE 25 H ILE 25 6.296 5.848 -15.624 166 HA ILE 25 HA ILE 25 7.910 7.538 -13.878 167 HB ILE 25 HB ILE 25 6.127 8.471 -16.119 168 HG12 ILE 25 2HG1 ILE 25 9.028 7.622 -16.270 169 HG13 ILE 25 3HG1 ILE 25 7.669 6.777 -17.001 170 HG21 ILE 25 1HG2 ILE 25 8.552 9.947 -15.744 171 HG22 ILE 25 2HG2 ILE 25 6.881 10.494 -15.606 172 HG23 ILE 25 3HG2 ILE 25 7.700 9.800 -14.206 173 HD11 ILE 25 3HD1 ILE 25 9.157 9.099 -17.933 174 HD12 ILE 25 1HD1 ILE 25 8.191 7.929 -18.832 175 HD13 ILE 25 2HD1 ILE 25 7.406 9.291 -18.030 176 H ILE 26 H ILE 26 4.591 7.861 -15.140 177 HA ILE 26 HA ILE 26 3.538 8.159 -12.456 178 HB ILE 26 HB ILE 26 3.635 10.448 -14.403 179 HG12 ILE 26 2HG1 ILE 26 3.990 11.472 -11.915 180 HG13 ILE 26 3HG1 ILE 26 4.638 9.852 -11.686 181 HG21 ILE 26 1HG2 ILE 26 1.346 10.394 -13.917 182 HG22 ILE 26 2HG2 ILE 26 1.623 9.919 -12.242 183 HG23 ILE 26 3HG2 ILE 26 2.011 11.556 -12.770 184 HD11 ILE 26 3HD1 ILE 26 5.937 12.069 -12.761 185 HD12 ILE 26 1HD1 ILE 26 6.516 10.403 -12.711 186 HD13 ILE 26 2HD1 ILE 26 5.636 10.990 -14.123 187 H GLY 27 H GLY 27 1.711 7.037 -12.425 188 HA2 GLY 27 2HA GLY 27 -0.407 7.455 -14.260 189 HA3 GLY 27 3HA GLY 27 0.440 5.966 -14.656 190 H PHE 28 H PHE 28 -1.117 4.513 -14.109 191 HA PHE 28 HA PHE 28 -1.795 4.376 -11.250 192 HB2 PHE 28 HB2 PHE 28 -3.677 3.839 -13.558 193 HB3 PHE 28 HB3 PHE 28 -4.050 3.564 -11.859 194 HD1 PHE 28 HD1 PHE 28 -3.952 5.589 -10.294 195 HD2 PHE 28 HD2 PHE 28 -4.101 5.897 -14.537 196 HE1 PHE 28 HE1 PHE 28 -4.752 7.906 -10.094 197 HE2 PHE 28 HE2 PHE 28 -4.901 8.216 -14.344 198 HZ PHE 28 HZ PHE 28 -5.227 9.224 -12.120 199 H CYS 29 H CYS 29 -1.792 2.362 -10.337 200 HA CYS 29 HA CYS 29 -0.345 0.319 -11.723 201 HB2 CYS 29 HB2 CYS 29 -0.369 0.922 -9.177 202 HB3 CYS 29 HB3 CYS 29 -1.763 -0.152 -9.123 203 H LEU 30 H LEU 30 -1.100 -1.367 -12.832 204 HA LEU 30 HA LEU 30 -3.825 -2.311 -12.377 205 HB2 LEU 30 HB2 LEU 30 -4.213 -2.373 -14.849 206 HB3 LEU 30 HB3 LEU 30 -4.197 -0.765 -14.128 207 HG LEU 30 HG LEU 30 -1.602 -1.046 -14.943 208 HD11 LEU 30 1HD1 LEU 30 -1.367 -2.299 -16.792 209 HD12 LEU 30 2HD1 LEU 30 -2.984 -1.921 -17.383 210 HD13 LEU 30 3HD1 LEU 30 -2.764 -3.168 -16.156 211 HD21 LEU 30 3HD2 LEU 30 -2.854 0.136 -17.098 212 HD22 LEU 30 1HD2 LEU 30 -2.326 0.950 -15.625 213 HD23 LEU 30 2HD2 LEU 30 -3.991 0.387 -15.772 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 2.829 0.787 -1.178 3 HB2 CYS 1 HB2 CYS 1 3.189 -1.404 -2.432 4 HB3 CYS 1 HB3 CYS 1 3.641 -1.390 -0.730 5 H ILE 2 H ILE 2 0.931 2.164 -1.857 6 HA ILE 2 HA ILE 2 -0.406 2.936 -3.528 7 HB ILE 2 HB ILE 2 0.677 0.618 -5.132 8 HG12 ILE 2 2HG1 ILE 2 2.473 2.049 -4.254 9 HG13 ILE 2 3HG1 ILE 2 2.316 2.223 -5.999 10 HG21 ILE 2 1HG2 ILE 2 -1.222 1.445 -6.248 11 HG22 ILE 2 2HG2 ILE 2 -0.807 3.119 -5.883 12 HG23 ILE 2 3HG2 ILE 2 0.155 2.206 -7.045 13 HD11 ILE 2 3HD1 ILE 2 0.669 4.193 -4.970 14 HD12 ILE 2 1HD1 ILE 2 2.081 4.204 -3.914 15 HD13 ILE 2 2HD1 ILE 2 2.279 4.410 -5.655 16 H ALA 3 H ALA 3 -2.498 2.732 -3.072 17 HA ALA 3 HA ALA 3 -3.833 0.345 -2.479 18 HB1 ALA 3 1HB ALA 3 -5.669 2.272 -3.535 19 HB2 ALA 3 HB2 ALA 3 -5.422 1.766 -1.863 20 HB3 ALA 3 HB3 ALA 3 -4.463 3.084 -2.536 21 H HIS 4 H HIS 4 -5.619 -0.645 -3.683 22 HA HIS 4 HA HIS 4 -4.873 -1.650 -6.137 23 HB2 HIS 4 HB2 HIS 4 -7.342 -1.613 -4.543 24 HB3 HIS 4 HB3 HIS 4 -7.604 -1.828 -6.271 25 HD1 HIS 4 HD1 HIS 4 -5.541 -3.389 -3.485 26 HD2 HIS 4 HD2 HIS 4 -7.305 -4.389 -7.111 27 HE1 HIS 4 HE1 HIS 4 -5.206 -5.869 -3.734 28 H TYR 5 H TYR 5 -4.679 -0.761 -8.074 29 HA TYR 5 HA TYR 5 -4.945 0.612 -9.867 30 HB2 TYR 5 HB2 TYR 5 -7.704 1.293 -8.886 31 HB3 TYR 5 HB3 TYR 5 -7.130 1.145 -10.543 32 HD1 TYR 5 HD1 TYR 5 -5.747 -1.484 -10.398 33 HD2 TYR 5 HD2 TYR 5 -9.482 -0.225 -8.794 34 HE1 TYR 5 HE1 TYR 5 -6.555 -3.805 -10.473 35 HE2 TYR 5 HE2 TYR 5 -10.300 -2.544 -8.864 36 HH TYR 5 HH TYR 5 -9.556 -4.755 -8.998 37 H GLY 6 H GLY 6 -3.814 1.691 -7.473 38 HA2 GLY 6 2HA GLY 6 -4.842 4.436 -7.375 39 HA3 GLY 6 3HA GLY 6 -3.690 3.724 -6.255 40 H LYS 7 H LYS 7 -3.204 6.204 -7.272 41 HA LYS 7 HA LYS 7 -1.619 6.171 -9.633 42 HB2 LYS 7 HB2 LYS 7 -2.673 8.122 -7.923 43 HB3 LYS 7 HB3 LYS 7 -0.928 8.312 -7.809 44 HG2 LYS 7 2HG LYS 7 -1.883 7.991 -10.546 45 HG3 LYS 7 3HG LYS 7 -2.533 9.414 -9.728 46 HD2 LYS 7 2HD LYS 7 0.398 8.711 -9.865 47 HD3 LYS 7 3HD LYS 7 -0.410 9.842 -10.953 48 HE2 LYS 7 2HE LYS 7 -1.165 11.009 -8.762 49 HE3 LYS 7 3HE LYS 7 0.155 10.101 -8.025 50 HZ1 LYS 7 3HZ LYS 7 1.190 11.242 -10.318 51 HZ2 LYS 7 1HZ LYS 7 1.506 11.694 -8.718 52 HZ3 LYS 7 2HZ LYS 7 0.272 12.459 -9.585 53 H CYS 8 H CYS 8 0.654 6.418 -9.821 54 HA CYS 8 HA CYS 8 2.157 5.377 -7.509 55 HB2 CYS 8 HB2 CYS 8 1.910 4.307 -10.119 56 HB3 CYS 8 HB3 CYS 8 3.550 4.931 -9.977 57 H ASP 9 H ASP 9 4.248 6.189 -7.148 58 HA ASP 9 HA ASP 9 4.570 8.949 -7.790 59 HB2 ASP 9 HB2 ASP 9 6.054 6.933 -6.180 60 HB3 ASP 9 HB3 ASP 9 6.942 8.360 -6.708 61 H GLY 10 H GLY 10 5.961 5.950 -8.974 62 HA2 GLY 10 2HA GLY 10 6.631 5.996 -11.349 63 HA3 GLY 10 3HA GLY 10 7.420 7.528 -11.004 64 H ILE 11 H ILE 11 9.129 7.393 -9.233 65 HA ILE 11 HA ILE 11 11.152 5.643 -10.049 66 HB ILE 11 HB ILE 11 11.088 7.863 -8.480 67 HG12 ILE 11 2HG1 ILE 11 12.998 7.144 -9.790 68 HG13 ILE 11 3HG1 ILE 11 13.518 7.455 -8.137 69 HG21 ILE 11 1HG2 ILE 11 11.878 5.631 -6.620 70 HG22 ILE 11 2HG2 ILE 11 11.782 7.354 -6.261 71 HG23 ILE 11 3HG2 ILE 11 10.309 6.436 -6.572 72 HD11 ILE 11 3HD1 ILE 11 14.570 5.462 -8.971 73 HD12 ILE 11 1HD1 ILE 11 13.435 5.038 -7.690 74 HD13 ILE 11 2HD1 ILE 11 13.003 4.765 -9.379 75 H ILE 12 H ILE 12 8.613 5.261 -7.722 76 HA ILE 12 HA ILE 12 9.853 2.863 -6.598 77 HB ILE 12 HB ILE 12 7.262 4.216 -5.837 78 HG12 ILE 12 2HG1 ILE 12 9.223 4.333 -3.782 79 HG13 ILE 12 3HG1 ILE 12 9.984 4.890 -5.268 80 HG21 ILE 12 1HG2 ILE 12 7.691 2.805 -3.716 81 HG22 ILE 12 2HG2 ILE 12 7.016 2.017 -5.141 82 HG23 ILE 12 3HG2 ILE 12 8.729 1.839 -4.764 83 HD11 ILE 12 3HD1 ILE 12 7.310 5.980 -4.649 84 HD12 ILE 12 1HD1 ILE 12 8.651 6.502 -3.630 85 HD13 ILE 12 2HD1 ILE 12 8.717 6.756 -5.374 86 H ASN 13 H ASN 13 9.668 1.285 -8.128 87 HA ASN 13 HA ASN 13 7.111 0.820 -9.433 88 HB2 ASN 13 HB2 ASN 13 9.794 -0.552 -9.697 89 HB3 ASN 13 HB3 ASN 13 8.362 -0.999 -10.619 90 HD21 ASN 13 1HD2 ASN 13 10.427 1.773 -9.866 91 HD22 ASN 13 2HD2 ASN 13 10.295 2.515 -11.421 92 H GLN 14 H GLN 14 8.025 0.233 -6.468 93 HA GLN 14 HA GLN 14 7.528 -2.594 -6.238 94 HB2 GLN 14 HB2 GLN 14 8.017 -0.366 -4.290 95 HB3 GLN 14 HB3 GLN 14 7.424 -1.921 -3.723 96 HG2 GLN 14 2HG GLN 14 9.649 -2.273 -3.493 97 HG3 GLN 14 3HG GLN 14 9.450 -2.816 -5.158 98 HE21 GLN 14 1HE2 GLN 14 10.384 -1.682 -6.795 99 HE22 GLN 14 2HE2 GLN 14 11.441 -0.338 -6.548 100 H CYS 15 H CYS 15 5.429 -2.319 -7.454 101 HA CYS 15 HA CYS 15 3.242 -1.420 -5.717 102 HB2 CYS 15 HB2 CYS 15 3.389 -0.557 -8.072 103 HB3 CYS 15 HB3 CYS 15 3.104 -2.201 -8.634 104 H CYS 16 H CYS 16 2.631 -3.009 -4.382 105 HA CYS 16 HA CYS 16 2.911 -5.740 -4.755 106 HB2 CYS 16 HB2 CYS 16 0.714 -4.385 -3.180 107 HB3 CYS 16 HB3 CYS 16 1.323 -6.020 -2.943 108 H ASP 17 H ASP 17 -0.183 -3.978 -4.982 109 HA ASP 17 HA ASP 17 -0.962 -5.799 -7.158 110 HB2 ASP 17 HB2 ASP 17 -2.215 -5.454 -4.553 111 HB3 ASP 17 HB3 ASP 17 -3.340 -5.144 -5.873 112 HA PRO 18 HA PRO 18 -3.357 -5.950 -7.900 113 HB2 PRO 18 HB2 PRO 18 -3.867 -5.858 -10.565 114 HB3 PRO 18 HB3 PRO 18 -4.944 -5.149 -9.356 115 HG2 PRO 18 2HG PRO 18 -2.885 -3.817 -11.073 116 HG3 PRO 18 3HG PRO 18 -4.528 -3.279 -10.674 117 HD2 PRO 18 2HD PRO 18 -2.331 -2.292 -9.437 118 HD3 PRO 18 3HD PRO 18 -3.895 -2.461 -8.615 119 H TRP 19 H TRP 19 -1.247 -4.610 -10.450 120 HA TRP 19 HA TRP 19 0.350 -7.079 -10.293 121 HB2 TRP 19 HB2 TRP 19 -0.490 -5.572 -12.776 122 HB3 TRP 19 HB3 TRP 19 0.761 -6.812 -12.763 123 HD1 TRP 19 HD1 TRP 19 -2.992 -6.360 -12.763 124 HE1 TRP 19 HE1 TRP 19 -4.125 -8.663 -12.960 125 HE3 TRP 19 HE3 TRP 19 1.104 -9.342 -12.082 126 HZ2 TRP 19 HZ2 TRP 19 -3.381 -11.383 -12.843 127 HZ3 TRP 19 HZ3 TRP 19 0.808 -11.784 -12.139 128 HH2 TRP 19 HH2 TRP 19 -1.389 -12.782 -12.511 129 H LEU 20 H LEU 20 0.962 -4.426 -12.483 130 HA LEU 20 HA LEU 20 3.182 -3.528 -10.775 131 HB2 LEU 20 HB2 LEU 20 4.370 -3.148 -13.060 132 HB3 LEU 20 HB3 LEU 20 4.389 -4.738 -12.301 133 HG LEU 20 HG LEU 20 2.570 -5.451 -13.805 134 HD11 LEU 20 1HD1 LEU 20 2.430 -3.790 -15.877 135 HD12 LEU 20 2HD1 LEU 20 2.716 -2.603 -14.605 136 HD13 LEU 20 3HD1 LEU 20 1.329 -3.687 -14.504 137 HD21 LEU 20 3HD2 LEU 20 4.802 -4.301 -15.452 138 HD22 LEU 20 1HD2 LEU 20 3.933 -5.820 -15.673 139 HD23 LEU 20 2HD2 LEU 20 5.064 -5.639 -14.331 140 H CYS 21 H CYS 21 3.981 -1.363 -11.313 141 HA CYS 21 HA CYS 21 1.760 0.395 -11.964 142 HB2 CYS 21 HB2 CYS 21 4.333 0.647 -10.531 143 HB3 CYS 21 HB3 CYS 21 3.812 2.079 -11.412 144 H THR 22 H THR 22 1.483 1.327 -13.876 145 HA THR 22 HA THR 22 3.775 1.938 -15.566 146 HB THR 22 HB THR 22 1.492 0.207 -16.536 147 HG1 THR 22 HG1 THR 22 4.110 -0.289 -15.722 148 HG21 THR 22 3HG2 THR 22 2.372 1.958 -18.149 149 HG22 THR 22 1HG2 THR 22 2.455 0.285 -18.699 150 HG23 THR 22 2HG2 THR 22 3.907 1.091 -18.104 151 HA PRO 23 HA PRO 23 4.249 2.899 -17.401 152 HB2 PRO 23 HB2 PRO 23 5.170 5.447 -17.570 153 HB3 PRO 23 HB3 PRO 23 4.153 4.708 -18.813 154 HG2 PRO 23 2HG PRO 23 3.386 6.566 -16.594 155 HG3 PRO 23 3HG PRO 23 2.865 6.572 -18.289 156 HD2 PRO 23 2HD PRO 23 1.333 5.561 -16.299 157 HD3 PRO 23 3HD PRO 23 1.309 4.906 -17.949 158 HA PRO 24 HA PRO 24 6.719 3.118 -13.770 159 HB2 PRO 24 HB2 PRO 24 9.202 3.599 -14.756 160 HB3 PRO 24 HB3 PRO 24 8.381 2.044 -14.937 161 HG2 PRO 24 2HG PRO 24 8.636 4.292 -16.898 162 HG3 PRO 24 3HG PRO 24 8.796 2.547 -17.169 163 HD2 PRO 24 2HD PRO 24 6.543 3.917 -17.786 164 HD3 PRO 24 3HD PRO 24 6.515 2.224 -17.253 165 H ILE 25 H ILE 25 6.303 5.854 -15.721 166 HA ILE 25 HA ILE 25 7.586 7.574 -13.700 167 HB ILE 25 HB ILE 25 7.560 9.330 -15.544 168 HG12 ILE 25 2HG1 ILE 25 7.573 7.075 -17.495 169 HG13 ILE 25 3HG1 ILE 25 6.014 7.656 -16.921 170 HG21 ILE 25 1HG2 ILE 25 9.516 7.854 -14.708 171 HG22 ILE 25 2HG2 ILE 25 9.338 7.034 -16.259 172 HG23 ILE 25 3HG2 ILE 25 9.705 8.758 -16.210 173 HD11 ILE 25 3HD1 ILE 25 7.887 9.740 -17.801 174 HD12 ILE 25 1HD1 ILE 25 7.310 8.647 -19.059 175 HD13 ILE 25 2HD1 ILE 25 6.156 9.564 -18.090 176 H ILE 26 H ILE 26 5.672 7.526 -12.414 177 HA ILE 26 HA ILE 26 3.714 8.381 -11.632 178 HB ILE 26 HB ILE 26 4.069 10.395 -13.856 179 HG12 ILE 26 2HG1 ILE 26 4.760 11.763 -11.694 180 HG13 ILE 26 3HG1 ILE 26 5.156 10.160 -11.084 181 HG21 ILE 26 1HG2 ILE 26 2.047 10.053 -11.752 182 HG22 ILE 26 2HG2 ILE 26 2.714 11.679 -11.896 183 HG23 ILE 26 3HG2 ILE 26 1.954 10.911 -13.290 184 HD11 ILE 26 3HD1 ILE 26 6.833 9.843 -12.645 185 HD12 ILE 26 1HD1 ILE 26 6.194 11.078 -13.730 186 HD13 ILE 26 2HD1 ILE 26 6.989 11.550 -12.228 187 H GLY 27 H GLY 27 2.168 6.886 -11.978 188 HA2 GLY 27 2HA GLY 27 0.290 7.326 -14.101 189 HA3 GLY 27 3HA GLY 27 1.222 5.854 -14.331 190 H PHE 28 H PHE 28 -0.640 4.570 -14.127 191 HA PHE 28 HA PHE 28 -1.635 4.350 -11.363 192 HB2 PHE 28 HB2 PHE 28 -3.192 3.897 -13.918 193 HB3 PHE 28 HB3 PHE 28 -3.803 3.606 -12.293 194 HD1 PHE 28 HD2 PHE 28 -3.913 5.591 -10.697 195 HD2 PHE 28 HD1 PHE 28 -3.388 5.993 -14.901 196 HE1 PHE 28 HE2 PHE 28 -4.678 7.926 -10.566 197 HE2 PHE 28 HE1 PHE 28 -4.151 8.329 -14.777 198 HZ PHE 28 HZ PHE 28 -4.799 9.298 -12.608 199 H CYS 29 H CYS 29 -1.684 2.351 -10.468 200 HA CYS 29 HA CYS 29 -0.213 0.267 -11.786 201 HB2 CYS 29 HB2 CYS 29 -0.315 0.910 -9.240 202 HB3 CYS 29 HB3 CYS 29 -1.707 -0.168 -9.228 203 H LEU 30 H LEU 30 -0.977 -1.433 -12.873 204 HA LEU 30 HA LEU 30 -3.712 -2.338 -12.464 205 HB2 LEU 30 HB2 LEU 30 -2.662 -1.334 -15.100 206 HB3 LEU 30 HB3 LEU 30 -4.093 -2.351 -14.950 207 HG LEU 30 HG LEU 30 -4.734 -0.335 -13.260 208 HD11 LEU 30 1HD1 LEU 30 -4.107 1.626 -15.044 209 HD12 LEU 30 2HD1 LEU 30 -2.632 0.660 -15.034 210 HD13 LEU 30 3HD1 LEU 30 -3.259 1.326 -13.527 211 HD21 LEU 30 3HD2 LEU 30 -5.939 -1.382 -15.274 212 HD22 LEU 30 1HD2 LEU 30 -5.225 -0.065 -16.205 213 HD23 LEU 30 2HD2 LEU 30 -6.308 0.292 -14.859 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.836 0.464 0.767 2 HA CYS 1 HA CYS 1 2.947 0.744 -1.215 3 HB2 CYS 1 HB2 CYS 1 3.242 -1.453 -2.465 4 HB3 CYS 1 HB3 CYS 1 3.709 -1.456 -0.768 5 H ILE 2 H ILE 2 1.034 2.150 -1.838 6 HA ILE 2 HA ILE 2 -0.326 2.947 -3.479 7 HB ILE 2 HB ILE 2 0.715 0.637 -5.123 8 HG12 ILE 2 2HG1 ILE 2 2.526 2.065 -4.242 9 HG13 ILE 2 3HG1 ILE 2 2.366 2.215 -5.988 10 HG21 ILE 2 1HG2 ILE 2 -1.187 1.483 -6.211 11 HG22 ILE 2 2HG2 ILE 2 -0.773 3.151 -5.817 12 HG23 ILE 2 3HG2 ILE 2 0.179 2.265 -7.007 13 HD11 ILE 2 3HD1 ILE 2 0.729 4.199 -4.859 14 HD12 ILE 2 1HD1 ILE 2 2.262 4.240 -3.988 15 HD13 ILE 2 2HD1 ILE 2 2.241 4.404 -5.744 16 H ALA 3 H ALA 3 -2.412 2.751 -2.991 17 HA ALA 3 HA ALA 3 -3.751 0.366 -2.400 18 HB1 ALA 3 1HB ALA 3 -5.163 1.900 -1.637 19 HB2 ALA 3 HB2 ALA 3 -4.415 3.157 -2.623 20 HB3 ALA 3 HB3 ALA 3 -5.699 2.154 -3.299 21 H HIS 4 H HIS 4 -5.566 -0.597 -3.585 22 HA HIS 4 HA HIS 4 -4.867 -1.582 -6.061 23 HB2 HIS 4 HB2 HIS 4 -7.299 -1.555 -4.418 24 HB3 HIS 4 HB3 HIS 4 -7.609 -1.725 -6.143 25 HD1 HIS 4 HD1 HIS 4 -5.487 -3.373 -3.453 26 HD2 HIS 4 HD2 HIS 4 -7.365 -4.268 -7.049 27 HE1 HIS 4 HE1 HIS 4 -5.187 -5.850 -3.770 28 H TYR 5 H TYR 5 -4.701 -0.675 -7.992 29 HA TYR 5 HA TYR 5 -4.986 0.719 -9.766 30 HB2 TYR 5 HB2 TYR 5 -7.722 1.410 -8.731 31 HB3 TYR 5 HB3 TYR 5 -7.177 1.277 -10.399 32 HD1 TYR 5 HD1 TYR 5 -5.810 -1.364 -10.302 33 HD2 TYR 5 HD2 TYR 5 -9.511 -0.094 -8.631 34 HE1 TYR 5 HE1 TYR 5 -6.637 -3.679 -10.390 35 HE2 TYR 5 HE2 TYR 5 -10.348 -2.406 -8.713 36 HH TYR 5 HH TYR 5 -9.354 -4.724 -8.743 37 H GLY 6 H GLY 6 -3.809 1.764 -7.376 38 HA2 GLY 6 2HA GLY 6 -4.812 4.515 -7.234 39 HA3 GLY 6 3HA GLY 6 -3.648 3.783 -6.140 40 H LYS 7 H LYS 7 -3.161 6.270 -7.142 41 HA LYS 7 HA LYS 7 -1.613 6.247 -9.527 42 HB2 LYS 7 HB2 LYS 7 -2.653 8.194 -7.835 43 HB3 LYS 7 HB3 LYS 7 -0.911 8.360 -7.651 44 HG2 LYS 7 2HG LYS 7 -1.775 8.092 -10.426 45 HG3 LYS 7 3HG LYS 7 -2.418 9.518 -9.608 46 HD2 LYS 7 2HD LYS 7 0.498 8.747 -9.663 47 HD3 LYS 7 3HD LYS 7 -0.248 9.916 -10.756 48 HE2 LYS 7 2HE LYS 7 -1.050 11.046 -8.550 49 HE3 LYS 7 3HE LYS 7 0.253 10.115 -7.814 50 HZ1 LYS 7 3HZ LYS 7 0.387 12.431 -9.536 51 HZ2 LYS 7 1HZ LYS 7 1.482 11.204 -9.934 52 HZ3 LYS 7 2HZ LYS 7 1.491 11.874 -8.381 53 H CYS 8 H CYS 8 0.659 6.483 -9.747 54 HA CYS 8 HA CYS 8 2.190 5.411 -7.467 55 HB2 CYS 8 HB2 CYS 8 1.893 4.358 -10.075 56 HB3 CYS 8 HB3 CYS 8 3.535 4.983 -9.970 57 H ASP 9 H ASP 9 4.296 6.202 -7.136 58 HA ASP 9 HA ASP 9 4.625 8.966 -7.792 59 HB2 ASP 9 HB2 ASP 9 6.286 6.968 -6.271 60 HB3 ASP 9 HB3 ASP 9 6.881 8.592 -6.604 61 H GLY 10 H GLY 10 5.851 5.953 -9.036 62 HA2 GLY 10 2HA GLY 10 6.598 5.951 -11.357 63 HA3 GLY 10 3HA GLY 10 7.388 7.487 -11.037 64 H ILE 11 H ILE 11 9.089 7.377 -9.251 65 HA ILE 11 HA ILE 11 11.119 5.624 -10.034 66 HB ILE 11 HB ILE 11 11.034 7.852 -8.473 67 HG12 ILE 11 2HG1 ILE 11 12.955 7.141 -9.770 68 HG13 ILE 11 3HG1 ILE 11 13.464 7.454 -8.114 69 HG21 ILE 11 1HG2 ILE 11 11.827 5.630 -6.603 70 HG22 ILE 11 2HG2 ILE 11 11.714 7.353 -6.248 71 HG23 ILE 11 3HG2 ILE 11 10.251 6.421 -6.566 72 HD11 ILE 11 3HD1 ILE 11 12.958 4.759 -9.350 73 HD12 ILE 11 1HD1 ILE 11 14.526 5.462 -8.953 74 HD13 ILE 11 2HD1 ILE 11 13.396 5.040 -7.666 75 H ILE 12 H ILE 12 8.553 5.241 -7.742 76 HA ILE 12 HA ILE 12 9.791 2.850 -6.596 77 HB ILE 12 HB ILE 12 7.213 4.234 -5.846 78 HG12 ILE 12 2HG1 ILE 12 9.227 4.249 -3.804 79 HG13 ILE 12 3HG1 ILE 12 9.909 4.904 -5.288 80 HG21 ILE 12 1HG2 ILE 12 7.038 1.927 -5.280 81 HG22 ILE 12 2HG2 ILE 12 8.672 1.905 -4.619 82 HG23 ILE 12 3HG2 ILE 12 7.400 2.806 -3.794 83 HD11 ILE 12 3HD1 ILE 12 8.859 6.821 -4.973 84 HD12 ILE 12 1HD1 ILE 12 7.303 6.002 -4.846 85 HD13 ILE 12 2HD1 ILE 12 8.308 6.215 -3.412 86 H ASN 13 H ASN 13 9.609 1.285 -8.148 87 HA ASN 13 HA ASN 13 7.051 0.816 -9.445 88 HB2 ASN 13 HB2 ASN 13 9.724 -0.576 -9.712 89 HB3 ASN 13 HB3 ASN 13 8.291 -0.983 -10.651 90 HD21 ASN 13 1HD2 ASN 13 10.409 1.731 -9.844 91 HD22 ASN 13 2HD2 ASN 13 10.297 2.503 -11.385 92 H GLN 14 H GLN 14 7.972 0.223 -6.482 93 HA GLN 14 HA GLN 14 7.473 -2.605 -6.258 94 HB2 GLN 14 HB2 GLN 14 7.879 -0.395 -4.254 95 HB3 GLN 14 HB3 GLN 14 7.437 -2.024 -3.760 96 HG2 GLN 14 2HG GLN 14 9.698 -2.153 -3.574 97 HG3 GLN 14 3HG GLN 14 9.501 -2.684 -5.243 98 HE21 GLN 14 1HE2 GLN 14 10.505 -1.593 -6.806 99 HE22 GLN 14 2HE2 GLN 14 11.358 -0.106 -6.592 100 H CYS 15 H CYS 15 5.371 -2.316 -7.470 101 HA CYS 15 HA CYS 15 3.190 -1.425 -5.722 102 HB2 CYS 15 HB2 CYS 15 3.351 -0.563 -8.087 103 HB3 CYS 15 HB3 CYS 15 3.019 -2.202 -8.637 104 H CYS 16 H CYS 16 2.588 -3.023 -4.392 105 HA CYS 16 HA CYS 16 2.858 -5.754 -4.794 106 HB2 CYS 16 HB2 CYS 16 0.688 -4.405 -3.175 107 HB3 CYS 16 HB3 CYS 16 1.292 -6.045 -2.962 108 H ASP 17 H ASP 17 -0.229 -3.971 -4.968 109 HA ASP 17 HA ASP 17 -1.046 -5.773 -7.146 110 HB2 ASP 17 HB2 ASP 17 -2.280 -5.409 -4.526 111 HB3 ASP 17 HB3 ASP 17 -3.409 -5.132 -5.849 112 HA PRO 18 HA PRO 18 -3.450 -5.903 -7.861 113 HB2 PRO 18 HB2 PRO 18 -3.990 -5.790 -10.519 114 HB3 PRO 18 HB3 PRO 18 -5.048 -5.083 -9.293 115 HG2 PRO 18 2HG PRO 18 -3.001 -3.751 -11.025 116 HG3 PRO 18 3HG PRO 18 -4.635 -3.206 -10.604 117 HD2 PRO 18 2HD PRO 18 -2.418 -2.241 -9.385 118 HD3 PRO 18 3HD PRO 18 -3.974 -2.406 -8.546 119 H TRP 19 H TRP 19 -1.358 -4.557 -10.423 120 HA TRP 19 HA TRP 19 0.222 -7.039 -10.306 121 HB2 TRP 19 HB2 TRP 19 -0.630 -5.500 -12.764 122 HB3 TRP 19 HB3 TRP 19 0.612 -6.749 -12.776 123 HD1 TRP 19 HD1 TRP 19 -3.139 -6.270 -12.729 124 HE1 TRP 19 HE1 TRP 19 -4.290 -8.562 -12.943 125 HE3 TRP 19 HE3 TRP 19 0.945 -9.288 -12.134 126 HZ2 TRP 19 HZ2 TRP 19 -3.563 -11.289 -12.868 127 HZ3 TRP 19 HZ3 TRP 19 0.631 -11.727 -12.218 128 HH2 TRP 19 HH2 TRP 19 -1.577 -12.705 -12.577 129 H LEU 20 H LEU 20 0.838 -4.372 -12.475 130 HA LEU 20 HA LEU 20 3.077 -3.504 -10.777 131 HB2 LEU 20 HB2 LEU 20 4.236 -3.113 -13.085 132 HB3 LEU 20 HB3 LEU 20 4.279 -4.696 -12.312 133 HG LEU 20 HG LEU 20 2.538 -5.501 -13.793 134 HD11 LEU 20 1HD1 LEU 20 1.088 -3.852 -14.358 135 HD12 LEU 20 2HD1 LEU 20 2.108 -3.804 -15.796 136 HD13 LEU 20 3HD1 LEU 20 2.354 -2.632 -14.502 137 HD21 LEU 20 3HD2 LEU 20 4.845 -4.126 -15.154 138 HD22 LEU 20 1HD2 LEU 20 3.763 -5.254 -15.972 139 HD23 LEU 20 2HD2 LEU 20 4.747 -5.804 -14.615 140 H CYS 21 H CYS 21 3.891 -1.343 -11.309 141 HA CYS 21 HA CYS 21 1.681 0.441 -11.918 142 HB2 CYS 21 HB2 CYS 21 4.279 0.654 -10.528 143 HB3 CYS 21 HB3 CYS 21 3.775 2.094 -11.406 144 H THR 22 H THR 22 1.375 1.387 -13.818 145 HA THR 22 HA THR 22 3.633 1.990 -15.552 146 HB THR 22 HB THR 22 1.336 0.255 -16.480 147 HG1 THR 22 HG1 THR 22 3.002 -0.871 -15.355 148 HG21 THR 22 3HG2 THR 22 3.714 1.144 -18.098 149 HG22 THR 22 1HG2 THR 22 2.182 2.016 -18.107 150 HG23 THR 22 2HG2 THR 22 2.248 0.343 -18.662 151 HA PRO 23 HA PRO 23 4.069 2.946 -17.402 152 HB2 PRO 23 HB2 PRO 23 4.989 5.493 -17.594 153 HB3 PRO 23 HB3 PRO 23 3.945 4.754 -18.814 154 HG2 PRO 23 2HG PRO 23 3.226 6.615 -16.583 155 HG3 PRO 23 3HG PRO 23 2.669 6.619 -18.266 156 HD2 PRO 23 2HD PRO 23 1.179 5.611 -16.242 157 HD3 PRO 23 3HD PRO 23 1.120 4.955 -17.891 158 HA PRO 24 HA PRO 24 6.608 3.164 -13.818 159 HB2 PRO 24 HB2 PRO 24 9.075 3.618 -14.858 160 HB3 PRO 24 HB3 PRO 24 8.237 2.069 -15.012 161 HG2 PRO 24 2HG PRO 24 8.471 4.301 -16.993 162 HG3 PRO 24 3HG PRO 24 8.611 2.553 -17.255 163 HD2 PRO 24 2HD PRO 24 6.357 3.938 -17.835 164 HD3 PRO 24 3HD PRO 24 6.326 2.249 -17.290 165 H ILE 25 H ILE 25 6.208 5.890 -15.801 166 HA ILE 25 HA ILE 25 7.571 7.614 -13.838 167 HB ILE 25 HB ILE 25 7.425 9.367 -15.683 168 HG12 ILE 25 2HG1 ILE 25 7.282 7.062 -17.587 169 HG13 ILE 25 3HG1 ILE 25 5.786 7.750 -16.964 170 HG21 ILE 25 1HG2 ILE 25 9.380 7.660 -14.996 171 HG22 ILE 25 2HG2 ILE 25 9.182 7.222 -16.692 172 HG23 ILE 25 3HG2 ILE 25 9.559 8.887 -16.250 173 HD11 ILE 25 3HD1 ILE 25 5.939 9.537 -18.279 174 HD12 ILE 25 1HD1 ILE 25 7.656 9.755 -17.941 175 HD13 ILE 25 2HD1 ILE 25 7.138 8.605 -19.175 176 H ILE 26 H ILE 26 5.674 7.452 -12.472 177 HA ILE 26 HA ILE 26 3.759 8.293 -11.574 178 HB ILE 26 HB ILE 26 4.048 10.419 -13.701 179 HG12 ILE 26 2HG1 ILE 26 4.868 11.658 -11.505 180 HG13 ILE 26 3HG1 ILE 26 5.271 10.020 -11.005 181 HG21 ILE 26 1HG2 ILE 26 1.999 10.991 -13.003 182 HG22 ILE 26 2HG2 ILE 26 2.098 9.965 -11.572 183 HG23 ILE 26 3HG2 ILE 26 2.817 11.575 -11.554 184 HD11 ILE 26 3HD1 ILE 26 7.058 11.459 -12.170 185 HD12 ILE 26 1HD1 ILE 26 6.868 9.775 -12.657 186 HD13 ILE 26 2HD1 ILE 26 6.184 11.063 -13.650 187 H GLY 27 H GLY 27 2.160 6.864 -11.929 188 HA2 GLY 27 2HA GLY 27 0.246 7.427 -13.996 189 HA3 GLY 27 3HA GLY 27 1.122 5.930 -14.276 190 H PHE 28 H PHE 28 -0.637 4.586 -14.013 191 HA PHE 28 HA PHE 28 -1.645 4.393 -11.254 192 HB2 PHE 28 HB2 PHE 28 -3.248 3.959 -13.784 193 HB3 PHE 28 HB3 PHE 28 -3.838 3.710 -12.144 194 HD1 PHE 28 HD1 PHE 28 -3.861 5.728 -10.580 195 HD2 PHE 28 HD2 PHE 28 -3.428 6.037 -14.803 196 HE1 PHE 28 HE1 PHE 28 -4.570 8.082 -10.477 197 HE2 PHE 28 HE2 PHE 28 -4.136 8.392 -14.707 198 HZ PHE 28 HZ PHE 28 -4.707 9.417 -12.542 199 H CYS 29 H CYS 29 -1.712 2.388 -10.376 200 HA CYS 29 HA CYS 29 -0.287 0.295 -11.730 201 HB2 CYS 29 HB2 CYS 29 -0.337 0.912 -9.181 202 HB3 CYS 29 HB3 CYS 29 -1.757 -0.129 -9.154 203 H LEU 30 H LEU 30 -1.089 -1.381 -12.827 204 HA LEU 30 HA LEU 30 -3.831 -2.253 -12.390 205 HB2 LEU 30 HB2 LEU 30 -4.591 -1.940 -14.562 206 HB3 LEU 30 HB3 LEU 30 -3.743 -0.441 -14.192 207 HG LEU 30 HG LEU 30 -2.585 -2.704 -15.817 208 HD11 LEU 30 1HD1 LEU 30 -4.538 -1.607 -16.892 209 HD12 LEU 30 2HD1 LEU 30 -3.023 -1.382 -17.766 210 HD13 LEU 30 3HD1 LEU 30 -3.679 -0.070 -16.787 211 HD21 LEU 30 3HD2 LEU 30 -0.954 -0.926 -16.472 212 HD22 LEU 30 1HD2 LEU 30 -0.854 -1.424 -14.783 213 HD23 LEU 30 2HD2 LEU 30 -1.644 0.094 -15.209 Start of MODEL 4 1 H1 CYS 1 H CYS 1 1.570 -0.742 0.718 2 HA CYS 1 HA CYS 1 2.857 0.724 -1.140 3 HB2 CYS 1 HB2 CYS 1 3.197 -1.457 -2.422 4 HB3 CYS 1 HB3 CYS 1 3.666 -1.458 -0.725 5 H ILE 2 H ILE 2 0.965 2.116 -1.799 6 HA ILE 2 HA ILE 2 -0.375 2.913 -3.456 7 HB ILE 2 HB ILE 2 0.698 0.604 -5.080 8 HG12 ILE 2 2HG1 ILE 2 2.497 2.033 -4.220 9 HG13 ILE 2 3HG1 ILE 2 2.314 2.233 -5.959 10 HG21 ILE 2 1HG2 ILE 2 0.153 2.189 -6.986 11 HG22 ILE 2 2HG2 ILE 2 -1.215 1.425 -6.178 12 HG23 ILE 2 3HG2 ILE 2 -0.802 3.101 -5.817 13 HD11 ILE 2 3HD1 ILE 2 2.309 4.413 -5.554 14 HD12 ILE 2 1HD1 ILE 2 0.678 4.185 -4.924 15 HD13 ILE 2 2HD1 ILE 2 2.058 4.174 -3.825 16 H ALA 3 H ALA 3 -2.470 2.723 -3.014 17 HA ALA 3 HA ALA 3 -3.820 0.346 -2.419 18 HB1 ALA 3 1HB ALA 3 -5.786 1.618 -2.345 19 HB2 ALA 3 HB2 ALA 3 -4.507 2.749 -1.900 20 HB3 ALA 3 HB3 ALA 3 -5.185 2.779 -3.528 21 H HIS 4 H HIS 4 -5.613 -0.633 -3.625 22 HA HIS 4 HA HIS 4 -4.869 -1.653 -6.073 23 HB2 HIS 4 HB2 HIS 4 -7.381 -1.545 -4.522 24 HB3 HIS 4 HB3 HIS 4 -7.573 -1.854 -6.245 25 HD1 HIS 4 HD1 HIS 4 -5.504 -3.238 -3.363 26 HD2 HIS 4 HD2 HIS 4 -7.356 -4.473 -6.871 27 HE1 HIS 4 HE1 HIS 4 -5.186 -5.731 -3.449 28 H TYR 5 H TYR 5 -4.662 -0.773 -8.013 29 HA TYR 5 HA TYR 5 -4.909 0.595 -9.812 30 HB2 TYR 5 HB2 TYR 5 -7.662 1.307 -8.836 31 HB3 TYR 5 HB3 TYR 5 -7.087 1.155 -10.493 32 HD1 TYR 5 HD1 TYR 5 -5.725 -1.490 -10.331 33 HD2 TYR 5 HD2 TYR 5 -9.461 -0.190 -8.765 34 HE1 TYR 5 HE1 TYR 5 -6.556 -3.803 -10.410 35 HE2 TYR 5 HE2 TYR 5 -10.302 -2.500 -8.838 36 HH TYR 5 HH TYR 5 -8.405 -5.140 -9.107 37 H GLY 6 H GLY 6 -3.769 1.670 -7.421 38 HA2 GLY 6 2HA GLY 6 -4.770 4.422 -7.319 39 HA3 GLY 6 3HA GLY 6 -3.607 3.704 -6.215 40 H LYS 7 H LYS 7 -3.161 6.193 -7.285 41 HA LYS 7 HA LYS 7 -1.578 6.122 -9.647 42 HB2 LYS 7 HB2 LYS 7 -2.666 8.102 -8.014 43 HB3 LYS 7 HB3 LYS 7 -0.928 8.307 -7.846 44 HG2 LYS 7 2HG LYS 7 -1.809 7.930 -10.605 45 HG3 LYS 7 3HG LYS 7 -2.463 9.374 -9.829 46 HD2 LYS 7 2HD LYS 7 0.463 8.642 -9.874 47 HD3 LYS 7 3HD LYS 7 -0.304 9.749 -11.016 48 HE2 LYS 7 2HE LYS 7 -1.113 10.973 -8.867 49 HE3 LYS 7 3HE LYS 7 0.196 10.088 -8.086 50 HZ1 LYS 7 3HZ LYS 7 1.105 12.132 -8.736 51 HZ2 LYS 7 1HZ LYS 7 0.389 12.077 -10.268 52 HZ3 LYS 7 2HZ LYS 7 1.663 11.030 -9.891 53 H CYS 8 H CYS 8 0.692 6.391 -9.843 54 HA CYS 8 HA CYS 8 2.208 5.414 -7.511 55 HB2 CYS 8 HB2 CYS 8 1.996 4.332 -10.141 56 HB3 CYS 8 HB3 CYS 8 3.642 4.920 -9.926 57 H ASP 9 H ASP 9 4.304 6.245 -7.184 58 HA ASP 9 HA ASP 9 4.589 9.000 -7.888 59 HB2 ASP 9 HB2 ASP 9 5.313 8.051 -5.701 60 HB3 ASP 9 HB3 ASP 9 6.596 7.182 -6.539 61 H GLY 10 H GLY 10 5.895 5.988 -9.067 62 HA2 GLY 10 2HA GLY 10 6.619 5.998 -11.412 63 HA3 GLY 10 3HA GLY 10 7.428 7.521 -11.075 64 H ILE 11 H ILE 11 9.120 7.378 -9.289 65 HA ILE 11 HA ILE 11 11.123 5.589 -10.070 66 HB ILE 11 HB ILE 11 11.082 7.827 -8.528 67 HG12 ILE 11 2HG1 ILE 11 12.993 7.061 -9.809 68 HG13 ILE 11 3HG1 ILE 11 13.501 7.381 -8.155 69 HG21 ILE 11 1HG2 ILE 11 10.260 6.435 -6.611 70 HG22 ILE 11 2HG2 ILE 11 11.815 5.605 -6.634 71 HG23 ILE 11 3HG2 ILE 11 11.744 7.334 -6.295 72 HD11 ILE 11 3HD1 ILE 11 12.952 4.687 -9.374 73 HD12 ILE 11 1HD1 ILE 11 14.527 5.361 -8.956 74 HD13 ILE 11 2HD1 ILE 11 13.369 4.969 -7.684 75 H ILE 12 H ILE 12 8.561 5.272 -7.758 76 HA ILE 12 HA ILE 12 9.756 2.872 -6.593 77 HB ILE 12 HB ILE 12 7.159 4.241 -5.883 78 HG12 ILE 12 2HG1 ILE 12 9.099 4.428 -3.816 79 HG13 ILE 12 3HG1 ILE 12 9.873 4.949 -5.310 80 HG21 ILE 12 1HG2 ILE 12 8.618 1.877 -4.790 81 HG22 ILE 12 2HG2 ILE 12 7.645 2.879 -3.714 82 HG23 ILE 12 3HG2 ILE 12 6.895 2.089 -5.100 83 HD11 ILE 12 3HD1 ILE 12 8.718 6.852 -5.373 84 HD12 ILE 12 1HD1 ILE 12 7.207 6.065 -4.916 85 HD13 ILE 12 2HD1 ILE 12 8.374 6.524 -3.675 86 H ASN 13 H ASN 13 9.581 1.317 -8.167 87 HA ASN 13 HA ASN 13 7.014 0.843 -9.448 88 HB2 ASN 13 HB2 ASN 13 9.710 -0.493 -9.757 89 HB3 ASN 13 HB3 ASN 13 8.271 -0.961 -10.659 90 HD21 ASN 13 1HD2 ASN 13 10.313 1.834 -9.933 91 HD22 ASN 13 2HD2 ASN 13 10.141 2.581 -11.481 92 H GLN 14 H GLN 14 7.970 0.235 -6.500 93 HA GLN 14 HA GLN 14 7.494 -2.598 -6.293 94 HB2 GLN 14 HB2 GLN 14 7.931 -0.397 -4.289 95 HB3 GLN 14 HB3 GLN 14 7.467 -2.016 -3.784 96 HG2 GLN 14 2HG GLN 14 9.712 -2.232 -3.628 97 HG3 GLN 14 3HG GLN 14 9.517 -2.680 -5.322 98 HE21 GLN 14 1HE2 GLN 14 10.550 -1.534 -6.826 99 HE22 GLN 14 2HE2 GLN 14 11.428 -0.074 -6.536 100 H CYS 15 H CYS 15 5.376 -2.321 -7.475 101 HA CYS 15 HA CYS 15 3.209 -1.450 -5.699 102 HB2 CYS 15 HB2 CYS 15 3.298 -0.554 -8.032 103 HB3 CYS 15 HB3 CYS 15 3.058 -2.194 -8.626 104 H CYS 16 H CYS 16 2.622 -3.053 -4.369 105 HA CYS 16 HA CYS 16 2.915 -5.779 -4.761 106 HB2 CYS 16 HB2 CYS 16 0.720 -4.448 -3.163 107 HB3 CYS 16 HB3 CYS 16 1.340 -6.080 -2.940 108 H ASP 17 H ASP 17 -0.192 -4.034 -4.961 109 HA ASP 17 HA ASP 17 -0.968 -5.838 -7.151 110 HB2 ASP 17 HB2 ASP 17 -2.314 -5.388 -4.554 111 HB3 ASP 17 HB3 ASP 17 -3.362 -5.405 -5.970 112 HA PRO 18 HA PRO 18 -3.366 -6.016 -7.874 113 HB2 PRO 18 HB2 PRO 18 -3.904 -5.883 -10.531 114 HB3 PRO 18 HB3 PRO 18 -4.981 -5.216 -9.299 115 HG2 PRO 18 2HG PRO 18 -2.962 -3.816 -11.010 116 HG3 PRO 18 3HG PRO 18 -4.610 -3.315 -10.586 117 HD2 PRO 18 2HD PRO 18 -2.418 -2.312 -9.351 118 HD3 PRO 18 3HD PRO 18 -3.971 -2.524 -8.517 119 H TRP 19 H TRP 19 -1.309 -4.594 -10.422 120 HA TRP 19 HA TRP 19 0.332 -7.038 -10.328 121 HB2 TRP 19 HB2 TRP 19 -0.557 -5.493 -12.769 122 HB3 TRP 19 HB3 TRP 19 0.718 -6.708 -12.795 123 HD1 TRP 19 HD1 TRP 19 -3.044 -6.331 -12.748 124 HE1 TRP 19 HE1 TRP 19 -4.133 -8.651 -12.988 125 HE3 TRP 19 HE3 TRP 19 1.118 -9.245 -12.179 126 HZ2 TRP 19 HZ2 TRP 19 -3.334 -11.358 -12.941 127 HZ3 TRP 19 HZ3 TRP 19 0.870 -11.690 -12.289 128 HH2 TRP 19 HH2 TRP 19 -1.311 -12.723 -12.662 129 H LEU 20 H LEU 20 0.896 -4.345 -12.476 130 HA LEU 20 HA LEU 20 3.104 -3.432 -10.761 131 HB2 LEU 20 HB2 LEU 20 4.292 -3.013 -13.032 132 HB3 LEU 20 HB3 LEU 20 4.319 -4.618 -12.304 133 HG LEU 20 HG LEU 20 2.454 -5.266 -13.825 134 HD11 LEU 20 1HD1 LEU 20 1.357 -3.366 -14.494 135 HD12 LEU 20 2HD1 LEU 20 2.373 -3.677 -15.901 136 HD13 LEU 20 3HD1 LEU 20 2.848 -2.452 -14.725 137 HD21 LEU 20 3HD2 LEU 20 5.161 -4.463 -14.768 138 HD22 LEU 20 1HD2 LEU 20 3.983 -5.029 -15.951 139 HD23 LEU 20 2HD2 LEU 20 4.451 -6.070 -14.606 140 H CYS 21 H CYS 21 3.870 -1.250 -11.278 141 HA CYS 21 HA CYS 21 1.620 0.473 -11.947 142 HB2 CYS 21 HB2 CYS 21 4.146 0.761 -10.429 143 HB3 CYS 21 HB3 CYS 21 3.596 2.198 -11.285 144 H THR 22 H THR 22 1.356 1.189 -13.944 145 HA THR 22 HA THR 22 3.709 1.951 -15.516 146 HB THR 22 HB THR 22 1.755 -0.160 -16.215 147 HG1 THR 22 HG1 THR 22 4.115 -0.368 -15.878 148 HG21 THR 22 3HG2 THR 22 1.027 1.434 -17.830 149 HG22 THR 22 1HG2 THR 22 2.107 0.319 -18.665 150 HG23 THR 22 2HG2 THR 22 2.684 1.918 -18.193 151 HA PRO 23 HA PRO 23 4.171 2.859 -17.424 152 HB2 PRO 23 HB2 PRO 23 5.104 5.398 -17.652 153 HB3 PRO 23 HB3 PRO 23 4.070 4.641 -18.870 154 HG2 PRO 23 2HG PRO 23 3.335 6.545 -16.679 155 HG3 PRO 23 3HG PRO 23 2.796 6.521 -18.369 156 HD2 PRO 23 2HD PRO 23 1.281 5.556 -16.343 157 HD3 PRO 23 3HD PRO 23 1.236 4.870 -17.980 158 HA PRO 24 HA PRO 24 6.700 3.149 -13.839 159 HB2 PRO 24 HB2 PRO 24 9.164 3.660 -14.859 160 HB3 PRO 24 HB3 PRO 24 8.363 2.093 -15.020 161 HG2 PRO 24 2HG PRO 24 8.561 4.331 -16.998 162 HG3 PRO 24 3HG PRO 24 8.743 2.587 -17.261 163 HD2 PRO 24 2HD PRO 24 6.463 3.920 -17.857 164 HD3 PRO 24 3HD PRO 24 6.466 2.230 -17.313 165 H ILE 25 H ILE 25 6.212 5.866 -15.796 166 HA ILE 25 HA ILE 25 7.522 7.618 -13.822 167 HB ILE 25 HB ILE 25 6.867 8.231 -16.706 168 HG12 ILE 25 2HG1 ILE 25 9.593 7.997 -15.434 169 HG13 ILE 25 3HG1 ILE 25 8.798 6.639 -16.223 170 HG21 ILE 25 1HG2 ILE 25 8.311 10.267 -16.201 171 HG22 ILE 25 2HG2 ILE 25 6.679 10.256 -15.535 172 HG23 ILE 25 3HG2 ILE 25 8.056 9.883 -14.499 173 HD11 ILE 25 3HD1 ILE 25 8.847 9.025 -17.876 174 HD12 ILE 25 1HD1 ILE 25 10.456 8.466 -17.420 175 HD13 ILE 25 2HD1 ILE 25 9.345 7.374 -18.246 176 H ILE 26 H ILE 26 5.620 7.452 -12.483 177 HA ILE 26 HA ILE 26 3.667 8.246 -11.629 178 HB ILE 26 HB ILE 26 3.972 10.362 -13.762 179 HG12 ILE 26 2HG1 ILE 26 4.668 11.640 -11.550 180 HG13 ILE 26 3HG1 ILE 26 5.076 10.017 -11.006 181 HG21 ILE 26 1HG2 ILE 26 1.797 10.668 -13.139 182 HG22 ILE 26 2HG2 ILE 26 2.045 9.983 -11.533 183 HG23 ILE 26 3HG2 ILE 26 2.599 11.619 -11.888 184 HD11 ILE 26 3HD1 ILE 26 6.805 9.813 -12.477 185 HD12 ILE 26 1HD1 ILE 26 6.091 10.923 -13.646 186 HD13 ILE 26 2HD1 ILE 26 6.846 11.550 -12.180 187 H GLY 27 H GLY 27 2.189 6.683 -12.054 188 HA2 GLY 27 2HA GLY 27 0.290 7.213 -14.173 189 HA3 GLY 27 3HA GLY 27 1.189 5.715 -14.367 190 H PHE 28 H PHE 28 -0.560 4.360 -14.112 191 HA PHE 28 HA PHE 28 -1.641 4.237 -11.379 192 HB2 PHE 28 HB2 PHE 28 -3.194 3.815 -13.941 193 HB3 PHE 28 HB3 PHE 28 -3.820 3.528 -12.321 194 HD1 PHE 28 HD2 PHE 28 -3.837 5.528 -10.708 195 HD2 PHE 28 HD1 PHE 28 -3.409 5.898 -14.926 196 HE1 PHE 28 HE2 PHE 28 -4.558 7.876 -10.571 197 HE2 PHE 28 HE1 PHE 28 -4.129 8.247 -14.796 198 HZ PHE 28 HZ PHE 28 -4.706 9.239 -12.617 199 H CYS 29 H CYS 29 -1.770 2.240 -10.477 200 HA CYS 29 HA CYS 29 -0.315 0.120 -11.751 201 HB2 CYS 29 HB2 CYS 29 -0.562 0.794 -9.188 202 HB3 CYS 29 HB3 CYS 29 -1.888 -0.362 -9.264 203 H LEU 30 H LEU 30 -1.086 -1.545 -12.882 204 HA LEU 30 HA LEU 30 -3.885 -2.330 -12.588 205 HB2 LEU 30 HB2 LEU 30 -2.598 -1.676 -15.235 206 HB3 LEU 30 HB3 LEU 30 -4.195 -2.391 -15.024 207 HG LEU 30 HG LEU 30 -3.784 0.178 -13.647 208 HD11 LEU 30 1HD1 LEU 30 -4.219 1.387 -15.841 209 HD12 LEU 30 2HD1 LEU 30 -3.638 -0.075 -16.636 210 HD13 LEU 30 3HD1 LEU 30 -2.574 0.821 -15.553 211 HD21 LEU 30 3HD2 LEU 30 -5.941 -0.904 -13.667 212 HD22 LEU 30 1HD2 LEU 30 -5.928 -0.971 -15.430 213 HD23 LEU 30 2HD2 LEU 30 -6.024 0.587 -14.607 Start of MODEL 5 1 H1 CYS 1 H CYS 1 1.413 -0.102 1.252 2 HA CYS 1 HA CYS 1 2.463 -0.001 -0.907 3 HB2 CYS 1 HB2 CYS 1 1.743 -2.345 0.168 4 HB3 CYS 1 HB3 CYS 1 0.805 -2.436 -1.318 5 H ILE 2 H ILE 2 0.546 1.835 -1.301 6 HA ILE 2 HA ILE 2 -0.671 2.850 -2.934 7 HB ILE 2 HB ILE 2 0.278 0.554 -4.652 8 HG12 ILE 2 2HG1 ILE 2 2.097 1.923 -3.669 9 HG13 ILE 2 3HG1 ILE 2 2.006 2.082 -5.419 10 HG21 ILE 2 1HG2 ILE 2 -1.019 3.178 -5.362 11 HG22 ILE 2 2HG2 ILE 2 -0.201 2.136 -6.526 12 HG23 ILE 2 3HG2 ILE 2 -1.633 1.555 -5.677 13 HD11 ILE 2 3HD1 ILE 2 1.017 4.052 -3.373 14 HD12 ILE 2 1HD1 ILE 2 2.410 4.231 -4.440 15 HD13 ILE 2 2HD1 ILE 2 0.780 4.205 -5.114 16 H ALA 3 H ALA 3 -2.807 2.890 -2.816 17 HA ALA 3 HA ALA 3 -4.423 0.691 -2.204 18 HB1 ALA 3 1HB ALA 3 -5.210 3.322 -3.450 19 HB2 ALA 3 HB2 ALA 3 -6.318 2.165 -2.713 20 HB3 ALA 3 HB3 ALA 3 -5.102 2.973 -1.725 21 H HIS 4 H HIS 4 -6.170 -0.233 -3.500 22 HA HIS 4 HA HIS 4 -5.310 -1.463 -5.812 23 HB2 HIS 4 HB2 HIS 4 -7.886 -1.128 -4.439 24 HB3 HIS 4 HB3 HIS 4 -8.029 -1.432 -6.167 25 HD1 HIS 4 HD1 HIS 4 -6.587 -2.990 -3.041 26 HD2 HIS 4 HD2 HIS 4 -7.624 -4.035 -6.926 27 HE1 HIS 4 HE1 HIS 4 -6.378 -5.494 -3.143 28 H TYR 5 H TYR 5 -4.836 -0.682 -7.747 29 HA TYR 5 HA TYR 5 -4.826 0.594 -9.628 30 HB2 TYR 5 HB2 TYR 5 -7.644 1.436 -8.992 31 HB3 TYR 5 HB3 TYR 5 -6.896 1.208 -10.569 32 HD1 TYR 5 HD1 TYR 5 -5.630 -1.471 -10.124 33 HD2 TYR 5 HD2 TYR 5 -9.495 -0.004 -9.117 34 HE1 TYR 5 HE1 TYR 5 -6.517 -3.763 -10.216 35 HE2 TYR 5 HE2 TYR 5 -10.393 -2.292 -9.206 36 HH TYR 5 HH TYR 5 -9.690 -4.551 -9.099 37 H GLY 6 H GLY 6 -3.907 1.765 -7.190 38 HA2 GLY 6 2HA GLY 6 -4.841 4.527 -7.246 39 HA3 GLY 6 3HA GLY 6 -3.699 3.836 -6.103 40 H LYS 7 H LYS 7 -3.182 6.280 -7.183 41 HA LYS 7 HA LYS 7 -1.592 6.164 -9.539 42 HB2 LYS 7 HB2 LYS 7 -2.663 8.176 -7.958 43 HB3 LYS 7 HB3 LYS 7 -0.929 8.340 -7.716 44 HG2 LYS 7 2HG LYS 7 -1.697 7.979 -10.510 45 HG3 LYS 7 3HG LYS 7 -2.354 9.438 -9.765 46 HD2 LYS 7 2HD LYS 7 0.555 8.643 -9.684 47 HD3 LYS 7 3HD LYS 7 -0.139 9.770 -10.853 48 HE2 LYS 7 2HE LYS 7 -1.008 11.011 -8.744 49 HE3 LYS 7 3HE LYS 7 0.234 10.088 -7.900 50 HZ1 LYS 7 3HZ LYS 7 1.735 11.001 -9.795 51 HZ2 LYS 7 1HZ LYS 7 1.366 11.980 -8.466 52 HZ3 LYS 7 2HZ LYS 7 0.540 12.191 -9.927 53 H CYS 8 H CYS 8 0.687 6.400 -9.722 54 HA CYS 8 HA CYS 8 2.169 5.391 -7.382 55 HB2 CYS 8 HB2 CYS 8 1.964 4.333 -10.027 56 HB3 CYS 8 HB3 CYS 8 3.621 4.874 -9.775 57 H ASP 9 H ASP 9 4.359 6.108 -7.144 58 HA ASP 9 HA ASP 9 4.674 8.889 -7.710 59 HB2 ASP 9 HB2 ASP 9 6.607 6.885 -6.527 60 HB3 ASP 9 HB3 ASP 9 6.866 8.627 -6.573 61 H GLY 10 H GLY 10 5.980 5.913 -9.045 62 HA2 GLY 10 2HA GLY 10 6.526 6.008 -11.448 63 HA3 GLY 10 3HA GLY 10 7.328 7.536 -11.115 64 H ILE 11 H ILE 11 9.130 7.371 -9.439 65 HA ILE 11 HA ILE 11 11.114 5.652 -10.399 66 HB ILE 11 HB ILE 11 11.122 7.831 -8.773 67 HG12 ILE 11 2HG1 ILE 11 12.965 7.158 -10.196 68 HG13 ILE 11 3HG1 ILE 11 13.568 7.426 -8.564 69 HG21 ILE 11 1HG2 ILE 11 10.447 6.350 -6.865 70 HG22 ILE 11 2HG2 ILE 11 12.015 5.558 -7.014 71 HG23 ILE 11 3HG2 ILE 11 11.928 7.271 -6.605 72 HD11 ILE 11 3HD1 ILE 11 14.582 5.461 -9.510 73 HD12 ILE 11 1HD1 ILE 11 13.520 4.998 -8.180 74 HD13 ILE 11 2HD1 ILE 11 12.996 4.767 -9.849 75 H ILE 12 H ILE 12 8.700 5.198 -7.954 76 HA ILE 12 HA ILE 12 10.005 2.771 -6.971 77 HB ILE 12 HB ILE 12 7.499 4.154 -6.007 78 HG12 ILE 12 2HG1 ILE 12 9.636 4.037 -4.095 79 HG13 ILE 12 3HG1 ILE 12 10.238 4.745 -5.590 80 HG21 ILE 12 1HG2 ILE 12 7.094 2.044 -5.269 81 HG22 ILE 12 2HG2 ILE 12 8.797 1.591 -5.288 82 HG23 ILE 12 3HG2 ILE 12 8.161 2.575 -3.970 83 HD11 ILE 12 3HD1 ILE 12 9.500 6.559 -4.338 84 HD12 ILE 12 1HD1 ILE 12 8.187 6.262 -5.477 85 HD13 ILE 12 2HD1 ILE 12 8.044 5.719 -3.804 86 H ASN 13 H ASN 13 9.709 1.213 -8.493 87 HA ASN 13 HA ASN 13 7.080 0.805 -9.669 88 HB2 ASN 13 HB2 ASN 13 9.720 -0.608 -10.103 89 HB3 ASN 13 HB3 ASN 13 8.234 -0.993 -10.966 90 HD21 ASN 13 1HD2 ASN 13 10.407 1.701 -10.240 91 HD22 ASN 13 2HD2 ASN 13 10.218 2.493 -11.764 92 H GLN 14 H GLN 14 8.148 0.150 -6.771 93 HA GLN 14 HA GLN 14 7.627 -2.675 -6.566 94 HB2 GLN 14 HB2 GLN 14 8.109 -0.517 -4.514 95 HB3 GLN 14 HB3 GLN 14 7.771 -2.187 -4.079 96 HG2 GLN 14 2HG GLN 14 10.032 -2.258 -4.046 97 HG3 GLN 14 3HG GLN 14 9.769 -2.647 -5.745 98 HE21 GLN 14 1HE2 GLN 14 10.488 -1.282 -7.288 99 HE22 GLN 14 2HE2 GLN 14 11.350 0.180 -6.968 100 H CYS 15 H CYS 15 5.468 -2.352 -7.657 101 HA CYS 15 HA CYS 15 3.390 -1.434 -5.804 102 HB2 CYS 15 HB2 CYS 15 3.375 -0.572 -8.140 103 HB3 CYS 15 HB3 CYS 15 3.134 -2.218 -8.715 104 H CYS 16 H CYS 16 2.806 -2.992 -4.426 105 HA CYS 16 HA CYS 16 3.061 -5.725 -4.736 106 HB2 CYS 16 HB2 CYS 16 0.978 -4.221 -3.138 107 HB3 CYS 16 HB3 CYS 16 1.368 -5.927 -2.938 108 H ASP 17 H ASP 17 -0.037 -3.969 -4.963 109 HA ASP 17 HA ASP 17 -0.836 -5.812 -7.109 110 HB2 ASP 17 HB2 ASP 17 -3.054 -4.990 -5.393 111 HB3 ASP 17 HB3 ASP 17 -2.637 -6.588 -6.005 112 HA PRO 18 HA PRO 18 -3.234 -6.026 -7.804 113 HB2 PRO 18 HB2 PRO 18 -3.802 -5.915 -10.456 114 HB3 PRO 18 HB3 PRO 18 -4.875 -5.256 -9.216 115 HG2 PRO 18 2HG PRO 18 -2.895 -3.837 -10.956 116 HG3 PRO 18 3HG PRO 18 -4.545 -3.357 -10.517 117 HD2 PRO 18 2HD PRO 18 -2.354 -2.317 -9.311 118 HD3 PRO 18 3HD PRO 18 -3.895 -2.546 -8.459 119 H TRP 19 H TRP 19 -1.226 -4.590 -10.384 120 HA TRP 19 HA TRP 19 0.449 -7.011 -10.296 121 HB2 TRP 19 HB2 TRP 19 -0.486 -5.487 -12.733 122 HB3 TRP 19 HB3 TRP 19 0.806 -6.684 -12.768 123 HD1 TRP 19 HD1 TRP 19 -2.961 -6.360 -12.678 124 HE1 TRP 19 HE1 TRP 19 -4.020 -8.696 -12.900 125 HE3 TRP 19 HE3 TRP 19 1.249 -9.213 -12.155 126 HZ2 TRP 19 HZ2 TRP 19 -3.181 -11.391 -12.859 127 HZ3 TRP 19 HZ3 TRP 19 1.035 -11.662 -12.258 128 HH2 TRP 19 HH2 TRP 19 -1.135 -12.727 -12.603 129 H LEU 20 H LEU 20 0.954 -4.316 -12.457 130 HA LEU 20 HA LEU 20 3.171 -3.374 -10.770 131 HB2 LEU 20 HB2 LEU 20 4.324 -2.939 -13.056 132 HB3 LEU 20 HB3 LEU 20 4.381 -4.543 -12.330 133 HG LEU 20 HG LEU 20 2.533 -5.239 -13.828 134 HD11 LEU 20 1HD1 LEU 20 2.712 -2.388 -14.608 135 HD12 LEU 20 2HD1 LEU 20 1.312 -3.456 -14.518 136 HD13 LEU 20 3HD1 LEU 20 2.416 -3.563 -15.890 137 HD21 LEU 20 3HD2 LEU 20 3.900 -5.612 -15.690 138 HD22 LEU 20 1HD2 LEU 20 5.028 -5.444 -14.345 139 HD23 LEU 20 2HD2 LEU 20 4.780 -4.100 -15.460 140 H CYS 21 H CYS 21 3.902 -1.182 -11.297 141 HA CYS 21 HA CYS 21 1.622 0.514 -11.927 142 HB2 CYS 21 HB2 CYS 21 4.197 0.852 -10.491 143 HB3 CYS 21 HB3 CYS 21 3.556 2.276 -11.304 144 H THR 22 H THR 22 1.309 1.261 -13.906 145 HA THR 22 HA THR 22 3.620 2.026 -15.535 146 HB THR 22 HB THR 22 1.651 -0.085 -16.196 147 HG1 THR 22 HG1 THR 22 4.015 -0.301 -15.902 148 HG21 THR 22 3HG2 THR 22 2.544 1.998 -18.183 149 HG22 THR 22 1HG2 THR 22 0.895 1.506 -17.798 150 HG23 THR 22 2HG2 THR 22 1.969 0.399 -18.653 151 HA PRO 23 HA PRO 23 4.039 2.946 -17.444 152 HB2 PRO 23 HB2 PRO 23 4.955 5.490 -17.680 153 HB3 PRO 23 HB3 PRO 23 3.899 4.734 -18.879 154 HG2 PRO 23 2HG PRO 23 3.202 6.624 -16.665 155 HG3 PRO 23 3HG PRO 23 2.628 6.606 -18.343 156 HD2 PRO 23 2HD PRO 23 1.160 5.625 -16.291 157 HD3 PRO 23 3HD PRO 23 1.084 4.946 -17.929 158 HA PRO 24 HA PRO 24 6.640 3.230 -13.911 159 HB2 PRO 24 HB2 PRO 24 9.080 3.756 -14.979 160 HB3 PRO 24 HB3 PRO 24 8.283 2.186 -15.131 161 HG2 PRO 24 2HG PRO 24 8.430 4.434 -17.102 162 HG3 PRO 24 3HG PRO 24 8.613 2.692 -17.377 163 HD2 PRO 24 2HD PRO 24 6.316 4.018 -17.920 164 HD3 PRO 24 3HD PRO 24 6.338 2.326 -17.384 165 H ILE 25 H ILE 25 6.094 5.953 -15.841 166 HA ILE 25 HA ILE 25 7.441 7.703 -13.889 167 HB ILE 25 HB ILE 25 6.715 8.332 -16.753 168 HG12 ILE 25 2HG1 ILE 25 9.464 8.052 -15.533 169 HG13 ILE 25 3HG1 ILE 25 8.646 6.739 -16.373 170 HG21 ILE 25 1HG2 ILE 25 6.589 10.382 -15.712 171 HG22 ILE 25 2HG2 ILE 25 7.811 9.967 -14.511 172 HG23 ILE 25 3HG2 ILE 25 8.291 10.328 -16.169 173 HD11 ILE 25 3HD1 ILE 25 10.111 8.985 -17.435 174 HD12 ILE 25 1HD1 ILE 25 9.597 7.494 -18.224 175 HD13 ILE 25 2HD1 ILE 25 8.495 8.869 -18.132 176 H ILE 26 H ILE 26 5.570 7.519 -12.509 177 HA ILE 26 HA ILE 26 3.631 8.296 -11.608 178 HB ILE 26 HB ILE 26 3.889 10.431 -13.729 179 HG12 ILE 26 2HG1 ILE 26 4.613 11.692 -11.514 180 HG13 ILE 26 3HG1 ILE 26 5.042 10.065 -10.997 181 HG21 ILE 26 1HG2 ILE 26 2.553 11.635 -11.753 182 HG22 ILE 26 2HG2 ILE 26 1.750 10.799 -13.081 183 HG23 ILE 26 3HG2 ILE 26 1.963 9.988 -11.530 184 HD11 ILE 26 3HD1 ILE 26 6.003 10.881 -13.660 185 HD12 ILE 26 1HD1 ILE 26 6.722 11.702 -12.275 186 HD13 ILE 26 2HD1 ILE 26 6.801 9.944 -12.397 187 H GLY 27 H GLY 27 2.149 6.732 -12.015 188 HA2 GLY 27 2HA GLY 27 0.205 7.272 -14.089 189 HA3 GLY 27 3HA GLY 27 1.104 5.779 -14.313 190 H PHE 28 H PHE 28 -0.637 4.417 -14.033 191 HA PHE 28 HA PHE 28 -1.661 4.272 -11.280 192 HB2 PHE 28 HB2 PHE 28 -3.271 3.823 -13.802 193 HB3 PHE 28 HB3 PHE 28 -3.859 3.588 -12.159 194 HD1 PHE 28 HD2 PHE 28 -3.837 5.628 -10.606 195 HD2 PHE 28 HD1 PHE 28 -3.479 5.885 -14.840 196 HE1 PHE 28 HE2 PHE 28 -4.537 7.985 -10.519 197 HE2 PHE 28 HE1 PHE 28 -4.177 8.243 -14.759 198 HZ PHE 28 HZ PHE 28 -4.709 9.296 -12.597 199 H CYS 29 H CYS 29 -1.749 2.272 -10.385 200 HA CYS 29 HA CYS 29 -0.324 0.163 -11.713 201 HB2 CYS 29 HB2 CYS 29 -0.464 0.822 -9.147 202 HB3 CYS 29 HB3 CYS 29 -1.812 -0.310 -9.169 203 H LEU 30 H LEU 30 -1.114 -1.567 -12.747 204 HA LEU 30 HA LEU 30 -3.856 -2.423 -12.341 205 HB2 LEU 30 HB2 LEU 30 -4.303 -2.385 -14.803 206 HB3 LEU 30 HB3 LEU 30 -4.250 -0.807 -14.021 207 HG LEU 30 HG LEU 30 -1.718 -0.943 -14.881 208 HD11 LEU 30 1HD1 LEU 30 -2.834 -3.191 -16.068 209 HD12 LEU 30 2HD1 LEU 30 -1.314 -2.409 -16.500 210 HD13 LEU 30 3HD1 LEU 30 -2.799 -1.981 -17.351 211 HD21 LEU 30 3HD2 LEU 30 -2.312 0.693 -16.356 212 HD22 LEU 30 1HD2 LEU 30 -3.776 0.643 -15.374 213 HD23 LEU 30 2HD2 LEU 30 -3.731 -0.183 -16.932 Start of MODEL 6 1 H1 CYS 1 H CYS 1 1.942 0.524 0.673 2 HA CYS 1 HA CYS 1 3.087 0.681 -1.289 3 HB2 CYS 1 HB2 CYS 1 3.309 -1.526 -2.546 4 HB3 CYS 1 HB3 CYS 1 3.822 -1.528 -0.861 5 H ILE 2 H ILE 2 1.170 2.116 -1.865 6 HA ILE 2 HA ILE 2 -0.206 2.938 -3.480 7 HB ILE 2 HB ILE 2 0.792 0.632 -5.157 8 HG12 ILE 2 2HG1 ILE 2 2.624 2.044 -4.287 9 HG13 ILE 2 3HG1 ILE 2 2.445 2.199 -6.031 10 HG21 ILE 2 1HG2 ILE 2 -0.681 3.166 -5.813 11 HG22 ILE 2 2HG2 ILE 2 0.242 2.274 -7.021 12 HG23 ILE 2 3HG2 ILE 2 -1.121 1.505 -6.208 13 HD11 ILE 2 3HD1 ILE 2 2.367 4.219 -4.018 14 HD12 ILE 2 1HD1 ILE 2 2.356 4.389 -5.773 15 HD13 ILE 2 2HD1 ILE 2 0.838 4.196 -4.895 16 H ALA 3 H ALA 3 -2.287 2.755 -2.965 17 HA ALA 3 HA ALA 3 -3.639 0.379 -2.371 18 HB1 ALA 3 1HB ALA 3 -4.610 2.312 -1.515 19 HB2 ALA 3 HB2 ALA 3 -4.565 3.141 -3.072 20 HB3 ALA 3 HB3 ALA 3 -5.717 1.834 -2.803 21 H HIS 4 H HIS 4 -5.477 -0.563 -3.537 22 HA HIS 4 HA HIS 4 -4.819 -1.544 -6.025 23 HB2 HIS 4 HB2 HIS 4 -7.232 -1.495 -4.354 24 HB3 HIS 4 HB3 HIS 4 -7.563 -1.656 -6.077 25 HD1 HIS 4 HD1 HIS 4 -5.459 -3.343 -3.400 26 HD2 HIS 4 HD2 HIS 4 -7.329 -4.193 -7.011 27 HE1 HIS 4 HE1 HIS 4 -5.183 -5.820 -3.733 28 H TYR 5 H TYR 5 -4.662 -0.629 -7.953 29 HA TYR 5 HA TYR 5 -4.951 0.775 -9.719 30 HB2 TYR 5 HB2 TYR 5 -7.669 1.489 -8.650 31 HB3 TYR 5 HB3 TYR 5 -7.143 1.361 -10.325 32 HD1 TYR 5 HD1 TYR 5 -5.799 -1.295 -10.254 33 HD2 TYR 5 HD2 TYR 5 -9.475 0.003 -8.548 34 HE1 TYR 5 HE1 TYR 5 -6.650 -3.601 -10.347 35 HE2 TYR 5 HE2 TYR 5 -10.335 -2.300 -8.636 36 HH TYR 5 HH TYR 5 -8.812 -4.831 -8.728 37 H GLY 6 H GLY 6 -3.735 1.797 -7.341 38 HA2 GLY 6 2HA GLY 6 -4.709 4.557 -7.171 39 HA3 GLY 6 3HA GLY 6 -3.534 3.809 -6.099 40 H LYS 7 H LYS 7 -3.059 6.303 -7.115 41 HA LYS 7 HA LYS 7 -1.534 6.265 -9.516 42 HB2 LYS 7 HB2 LYS 7 -2.503 8.217 -7.729 43 HB3 LYS 7 HB3 LYS 7 -0.755 8.404 -7.751 44 HG2 LYS 7 2HG LYS 7 -1.898 8.074 -10.408 45 HG3 LYS 7 3HG LYS 7 -2.514 9.489 -9.551 46 HD2 LYS 7 2HD LYS 7 0.412 8.832 -9.882 47 HD3 LYS 7 3HD LYS 7 -0.485 9.946 -10.917 48 HE2 LYS 7 2HE LYS 7 -1.118 11.051 -8.616 49 HE3 LYS 7 3HE LYS 7 0.348 10.240 -8.069 50 HZ1 LYS 7 3HZ LYS 7 0.055 12.554 -9.748 51 HZ2 LYS 7 1HZ LYS 7 1.124 11.406 -10.382 52 HZ3 LYS 7 2HZ LYS 7 1.384 12.041 -8.837 53 H CYS 8 H CYS 8 0.737 6.504 -9.757 54 HA CYS 8 HA CYS 8 2.286 5.430 -7.491 55 HB2 CYS 8 HB2 CYS 8 1.996 4.432 -10.142 56 HB3 CYS 8 HB3 CYS 8 3.653 4.999 -9.960 57 H ASP 9 H ASP 9 4.391 6.225 -7.168 58 HA ASP 9 HA ASP 9 4.711 8.993 -7.848 59 HB2 ASP 9 HB2 ASP 9 5.372 8.027 -5.642 60 HB3 ASP 9 HB3 ASP 9 6.670 7.158 -6.455 61 H GLY 10 H GLY 10 6.147 5.950 -8.868 62 HA2 GLY 10 2HA GLY 10 6.878 5.938 -11.239 63 HA3 GLY 10 3HA GLY 10 7.695 7.454 -10.888 64 H ILE 11 H ILE 11 9.326 7.297 -9.041 65 HA ILE 11 HA ILE 11 11.342 5.501 -9.755 66 HB ILE 11 HB ILE 11 11.251 7.719 -8.183 67 HG12 ILE 11 2HG1 ILE 11 13.205 6.964 -9.401 68 HG13 ILE 11 3HG1 ILE 11 13.652 7.255 -7.724 69 HG21 ILE 11 1HG2 ILE 11 11.823 7.192 -5.934 70 HG22 ILE 11 2HG2 ILE 11 10.350 6.303 -6.320 71 HG23 ILE 11 3HG2 ILE 11 11.903 5.467 -6.294 72 HD11 ILE 11 3HD1 ILE 11 13.491 4.838 -7.296 73 HD12 ILE 11 1HD1 ILE 11 13.136 4.583 -9.004 74 HD13 ILE 11 2HD1 ILE 11 14.698 5.242 -8.517 75 H ILE 12 H ILE 12 8.685 5.167 -7.557 76 HA ILE 12 HA ILE 12 9.819 2.731 -6.396 77 HB ILE 12 HB ILE 12 7.260 4.184 -5.714 78 HG12 ILE 12 2HG1 ILE 12 9.170 4.130 -3.591 79 HG13 ILE 12 3HG1 ILE 12 9.972 4.729 -5.039 80 HG21 ILE 12 1HG2 ILE 12 7.814 2.635 -3.571 81 HG22 ILE 12 2HG2 ILE 12 6.723 2.167 -4.874 82 HG23 ILE 12 3HG2 ILE 12 8.394 1.603 -4.878 83 HD11 ILE 12 3HD1 ILE 12 7.445 6.000 -4.838 84 HD12 ILE 12 1HD1 ILE 12 8.252 6.109 -3.274 85 HD13 ILE 12 2HD1 ILE 12 9.055 6.711 -4.725 86 H ASN 13 H ASN 13 9.658 1.248 -8.054 87 HA ASN 13 HA ASN 13 7.103 0.834 -9.373 88 HB2 ASN 13 HB2 ASN 13 9.770 -0.564 -9.675 89 HB3 ASN 13 HB3 ASN 13 8.340 -0.927 -10.637 90 HD21 ASN 13 1HD2 ASN 13 10.465 1.746 -9.717 91 HD22 ASN 13 2HD2 ASN 13 10.369 2.573 -11.231 92 H GLN 14 H GLN 14 8.014 0.128 -6.429 93 HA GLN 14 HA GLN 14 7.490 -2.702 -6.310 94 HB2 GLN 14 HB2 GLN 14 7.972 -0.563 -4.256 95 HB3 GLN 14 HB3 GLN 14 7.424 -2.164 -3.778 96 HG2 GLN 14 2HG GLN 14 9.682 -2.407 -3.572 97 HG3 GLN 14 3HG GLN 14 9.445 -2.963 -5.228 98 HE21 GLN 14 1HE2 GLN 14 10.685 -2.092 -6.727 99 HE22 GLN 14 2HE2 GLN 14 11.563 -0.611 -6.584 100 H CYS 15 H CYS 15 5.391 -2.346 -7.510 101 HA CYS 15 HA CYS 15 3.217 -1.470 -5.751 102 HB2 CYS 15 HB2 CYS 15 3.392 -0.612 -8.121 103 HB3 CYS 15 HB3 CYS 15 3.031 -2.247 -8.664 104 H CYS 16 H CYS 16 2.614 -3.069 -4.419 105 HA CYS 16 HA CYS 16 2.857 -5.800 -4.834 106 HB2 CYS 16 HB2 CYS 16 0.715 -4.434 -3.193 107 HB3 CYS 16 HB3 CYS 16 1.298 -6.083 -2.993 108 H ASP 17 H ASP 17 -0.213 -3.987 -4.980 109 HA ASP 17 HA ASP 17 -1.060 -5.765 -7.165 110 HB2 ASP 17 HB2 ASP 17 -2.356 -5.291 -4.549 111 HB3 ASP 17 HB3 ASP 17 -3.428 -5.257 -5.947 112 HA PRO 18 HA PRO 18 -3.467 -5.880 -7.865 113 HB2 PRO 18 HB2 PRO 18 -4.026 -5.731 -10.517 114 HB3 PRO 18 HB3 PRO 18 -5.074 -5.038 -9.274 115 HG2 PRO 18 2HG PRO 18 -3.037 -3.687 -11.002 116 HG3 PRO 18 3HG PRO 18 -4.667 -3.145 -10.562 117 HD2 PRO 18 2HD PRO 18 -2.440 -2.200 -9.347 118 HD3 PRO 18 3HD PRO 18 -3.989 -2.374 -8.498 119 H TRP 19 H TRP 19 -1.393 -4.505 -10.425 120 HA TRP 19 HA TRP 19 0.194 -6.983 -10.341 121 HB2 TRP 19 HB2 TRP 19 -0.698 -5.447 -12.787 122 HB3 TRP 19 HB3 TRP 19 0.546 -6.693 -12.816 123 HD1 TRP 19 HD1 TRP 19 -3.205 -6.223 -12.717 124 HE1 TRP 19 HE1 TRP 19 -4.355 -8.517 -12.913 125 HE3 TRP 19 HE3 TRP 19 0.893 -9.232 -12.178 126 HZ2 TRP 19 HZ2 TRP 19 -3.621 -11.242 -12.847 127 HZ3 TRP 19 HZ3 TRP 19 0.583 -11.671 -12.256 128 HH2 TRP 19 HH2 TRP 19 -1.628 -12.654 -12.583 129 H LEU 20 H LEU 20 0.772 -4.323 -12.527 130 HA LEU 20 HA LEU 20 3.018 -3.426 -10.855 131 HB2 LEU 20 HB2 LEU 20 4.174 -3.062 -13.162 132 HB3 LEU 20 HB3 LEU 20 4.210 -4.643 -12.383 133 HG LEU 20 HG LEU 20 2.428 -5.421 -13.856 134 HD11 LEU 20 1HD1 LEU 20 2.110 -3.745 -15.901 135 HD12 LEU 20 2HD1 LEU 20 2.371 -2.562 -14.620 136 HD13 LEU 20 3HD1 LEU 20 1.056 -3.730 -14.486 137 HD21 LEU 20 3HD2 LEU 20 4.977 -5.289 -14.478 138 HD22 LEU 20 1HD2 LEU 20 4.395 -4.165 -15.707 139 HD23 LEU 20 2HD2 LEU 20 3.781 -5.818 -15.663 140 H CYS 21 H CYS 21 3.814 -1.267 -11.411 141 HA CYS 21 HA CYS 21 1.590 0.488 -12.073 142 HB2 CYS 21 HB2 CYS 21 4.155 0.751 -10.622 143 HB3 CYS 21 HB3 CYS 21 3.624 2.181 -11.501 144 H THR 22 H THR 22 1.339 1.450 -13.975 145 HA THR 22 HA THR 22 3.658 1.990 -15.663 146 HB THR 22 HB THR 22 1.277 0.399 -16.634 147 HG1 THR 22 HG1 THR 22 2.857 -0.841 -15.515 148 HG21 THR 22 3HG2 THR 22 2.203 2.113 -18.243 149 HG22 THR 22 1HG2 THR 22 2.245 0.443 -18.806 150 HG23 THR 22 2HG2 THR 22 3.717 1.209 -18.208 151 HA PRO 23 HA PRO 23 4.189 2.969 -17.459 152 HB2 PRO 23 HB2 PRO 23 5.242 5.469 -17.569 153 HB3 PRO 23 HB3 PRO 23 4.194 4.812 -18.831 154 HG2 PRO 23 2HG PRO 23 3.513 6.657 -16.575 155 HG3 PRO 23 3HG PRO 23 3.001 6.728 -18.271 156 HD2 PRO 23 2HD PRO 23 1.410 5.753 -16.309 157 HD3 PRO 23 3HD PRO 23 1.360 5.138 -17.973 158 HA PRO 24 HA PRO 24 6.683 3.003 -13.838 159 HB2 PRO 24 HB2 PRO 24 9.177 3.479 -14.798 160 HB3 PRO 24 HB3 PRO 24 8.327 1.949 -15.048 161 HG2 PRO 24 2HG PRO 24 8.630 4.275 -16.909 162 HG3 PRO 24 3HG PRO 24 8.757 2.541 -17.256 163 HD2 PRO 24 2HD PRO 24 6.532 3.979 -17.816 164 HD3 PRO 24 3HD PRO 24 6.471 2.265 -17.357 165 H ILE 25 H ILE 25 6.275 5.826 -15.638 166 HA ILE 25 HA ILE 25 7.907 7.482 -13.876 167 HB ILE 25 HB ILE 25 6.130 8.465 -16.098 168 HG12 ILE 25 2HG1 ILE 25 9.012 7.560 -16.280 169 HG13 ILE 25 3HG1 ILE 25 7.630 6.755 -17.015 170 HG21 ILE 25 1HG2 ILE 25 6.928 10.468 -15.574 171 HG22 ILE 25 2HG2 ILE 25 7.732 9.745 -14.182 172 HG23 ILE 25 3HG2 ILE 25 8.587 9.889 -15.717 173 HD11 ILE 25 3HD1 ILE 25 7.457 9.333 -17.970 174 HD12 ILE 25 1HD1 ILE 25 9.190 9.005 -17.955 175 HD13 ILE 25 2HD1 ILE 25 8.096 7.935 -18.834 176 H ILE 26 H ILE 26 4.588 7.840 -15.127 177 HA ILE 26 HA ILE 26 3.545 8.128 -12.439 178 HB ILE 26 HB ILE 26 3.647 10.427 -14.374 179 HG12 ILE 26 2HG1 ILE 26 4.025 11.439 -11.887 180 HG13 ILE 26 3HG1 ILE 26 4.660 9.812 -11.663 181 HG21 ILE 26 1HG2 ILE 26 2.051 11.514 -12.653 182 HG22 ILE 26 2HG2 ILE 26 1.379 10.456 -13.893 183 HG23 ILE 26 3HG2 ILE 26 1.616 9.852 -12.253 184 HD11 ILE 26 3HD1 ILE 26 5.971 12.022 -12.746 185 HD12 ILE 26 1HD1 ILE 26 6.539 10.354 -12.691 186 HD13 ILE 26 2HD1 ILE 26 5.659 10.939 -14.103 187 H GLY 27 H GLY 27 1.706 7.027 -12.403 188 HA2 GLY 27 2HA GLY 27 -0.414 7.465 -14.229 189 HA3 GLY 27 3HA GLY 27 0.422 5.974 -14.639 190 H PHE 28 H PHE 28 -1.143 4.527 -14.096 191 HA PHE 28 HA PHE 28 -1.807 4.374 -11.235 192 HB2 PHE 28 HB2 PHE 28 -3.708 3.846 -13.529 193 HB3 PHE 28 HB3 PHE 28 -4.072 3.599 -11.825 194 HD1 PHE 28 HD1 PHE 28 -3.946 5.642 -10.290 195 HD2 PHE 28 HD2 PHE 28 -4.111 5.896 -14.535 196 HE1 PHE 28 HE1 PHE 28 -4.719 7.972 -10.117 197 HE2 PHE 28 HE2 PHE 28 -4.884 8.226 -14.369 198 HZ PHE 28 HZ PHE 28 -5.188 9.267 -12.158 199 H CYS 29 H CYS 29 -1.814 2.352 -10.337 200 HA CYS 29 HA CYS 29 -0.387 0.311 -11.744 201 HB2 CYS 29 HB2 CYS 29 -0.435 0.906 -9.181 202 HB3 CYS 29 HB3 CYS 29 -1.798 -0.209 -9.156 203 H LEU 30 H LEU 30 -1.157 -1.357 -12.869 204 HA LEU 30 HA LEU 30 -3.879 -2.300 -12.407 205 HB2 LEU 30 HB2 LEU 30 -4.634 -2.021 -14.581 206 HB3 LEU 30 HB3 LEU 30 -3.790 -0.511 -14.242 207 HG LEU 30 HG LEU 30 -2.656 -2.809 -15.836 208 HD11 LEU 30 1HD1 LEU 30 -3.898 -0.204 -16.700 209 HD12 LEU 30 2HD1 LEU 30 -4.452 -1.835 -17.076 210 HD13 LEU 30 3HD1 LEU 30 -2.935 -1.242 -17.753 211 HD21 LEU 30 3HD2 LEU 30 -1.175 -0.680 -16.496 212 HD22 LEU 30 1HD2 LEU 30 -0.756 -1.772 -15.176 213 HD23 LEU 30 2HD2 LEU 30 -1.573 -0.247 -14.832 Start of MODEL 7 1 H1 CYS 1 H CYS 1 1.705 -0.636 0.669 2 HA CYS 1 HA CYS 1 3.056 0.772 -1.230 3 HB2 CYS 1 HB2 CYS 1 3.327 -1.434 -2.443 4 HB3 CYS 1 HB3 CYS 1 3.758 -1.449 -0.736 5 H ILE 2 H ILE 2 1.142 2.200 -1.838 6 HA ILE 2 HA ILE 2 -0.221 3.001 -3.475 7 HB ILE 2 HB ILE 2 0.790 0.676 -5.116 8 HG12 ILE 2 2HG1 ILE 2 2.617 2.096 -4.245 9 HG13 ILE 2 3HG1 ILE 2 2.454 2.229 -5.993 10 HG21 ILE 2 1HG2 ILE 2 0.260 2.305 -7.002 11 HG22 ILE 2 2HG2 ILE 2 -1.107 1.534 -6.199 12 HG23 ILE 2 3HG2 ILE 2 -0.681 3.200 -5.809 13 HD11 ILE 2 3HD1 ILE 2 2.373 4.276 -4.013 14 HD12 ILE 2 1HD1 ILE 2 2.352 4.422 -5.770 15 HD13 ILE 2 2HD1 ILE 2 0.839 4.241 -4.881 16 H ALA 3 H ALA 3 -2.306 2.823 -2.973 17 HA ALA 3 HA ALA 3 -3.660 0.451 -2.365 18 HB1 ALA 3 1HB ALA 3 -4.932 2.986 -3.378 19 HB2 ALA 3 HB2 ALA 3 -5.662 1.749 -2.354 20 HB3 ALA 3 HB3 ALA 3 -4.364 2.763 -1.723 21 H HIS 4 H HIS 4 -5.487 -0.505 -3.535 22 HA HIS 4 HA HIS 4 -4.812 -1.504 -6.011 23 HB2 HIS 4 HB2 HIS 4 -7.226 -1.460 -4.348 24 HB3 HIS 4 HB3 HIS 4 -7.560 -1.616 -6.070 25 HD1 HIS 4 HD1 HIS 4 -5.230 -3.269 -3.546 26 HD2 HIS 4 HD2 HIS 4 -7.547 -4.191 -6.869 27 HE1 HIS 4 HE1 HIS 4 -5.009 -5.755 -3.851 28 H TYR 5 H TYR 5 -4.648 -0.604 -7.947 29 HA TYR 5 HA TYR 5 -4.933 0.784 -9.724 30 HB2 TYR 5 HB2 TYR 5 -7.658 1.498 -8.674 31 HB3 TYR 5 HB3 TYR 5 -7.124 1.360 -10.346 32 HD1 TYR 5 HD1 TYR 5 -5.770 -1.291 -10.247 33 HD2 TYR 5 HD2 TYR 5 -9.461 0.006 -8.573 34 HE1 TYR 5 HE1 TYR 5 -6.613 -3.601 -10.328 35 HE2 TYR 5 HE2 TYR 5 -10.313 -2.299 -8.649 36 HH TYR 5 HH TYR 5 -8.300 -4.963 -9.867 37 H GLY 6 H GLY 6 -3.733 1.829 -7.347 38 HA2 GLY 6 2HA GLY 6 -4.715 4.588 -7.207 39 HA3 GLY 6 3HA GLY 6 -3.548 3.851 -6.120 40 H LYS 7 H LYS 7 -3.052 6.332 -7.134 41 HA LYS 7 HA LYS 7 -1.521 6.289 -9.530 42 HB2 LYS 7 HB2 LYS 7 -2.473 8.243 -7.726 43 HB3 LYS 7 HB3 LYS 7 -0.725 8.426 -7.781 44 HG2 LYS 7 2HG LYS 7 -1.925 8.096 -10.414 45 HG3 LYS 7 3HG LYS 7 -2.511 9.517 -9.546 46 HD2 LYS 7 2HD LYS 7 0.402 8.836 -9.938 47 HD3 LYS 7 3HD LYS 7 -0.508 9.953 -10.958 48 HE2 LYS 7 2HE LYS 7 -1.079 11.129 -8.717 49 HE3 LYS 7 3HE LYS 7 0.308 10.238 -8.092 50 HZ1 LYS 7 3HZ LYS 7 0.245 12.555 -9.764 51 HZ2 LYS 7 1HZ LYS 7 1.206 11.328 -10.425 52 HZ3 LYS 7 2HZ LYS 7 1.527 11.908 -8.869 53 H CYS 8 H CYS 8 0.751 6.511 -9.766 54 HA CYS 8 HA CYS 8 2.290 5.437 -7.493 55 HB2 CYS 8 HB2 CYS 8 1.998 4.429 -10.142 56 HB3 CYS 8 HB3 CYS 8 3.661 4.976 -9.951 57 H ASP 9 H ASP 9 4.400 6.219 -7.173 58 HA ASP 9 HA ASP 9 4.740 8.981 -7.853 59 HB2 ASP 9 HB2 ASP 9 6.829 7.224 -6.575 60 HB3 ASP 9 HB3 ASP 9 6.602 8.961 -6.391 61 H GLY 10 H GLY 10 6.134 5.935 -8.916 62 HA2 GLY 10 2HA GLY 10 6.831 5.938 -11.298 63 HA3 GLY 10 3HA GLY 10 7.671 7.441 -10.943 64 H ILE 11 H ILE 11 9.335 7.255 -9.139 65 HA ILE 11 HA ILE 11 11.304 5.419 -9.893 66 HB ILE 11 HB ILE 11 11.289 7.653 -8.338 67 HG12 ILE 11 2HG1 ILE 11 13.196 6.858 -9.608 68 HG13 ILE 11 3HG1 ILE 11 13.695 7.159 -7.947 69 HG21 ILE 11 1HG2 ILE 11 10.421 6.262 -6.440 70 HG22 ILE 11 2HG2 ILE 11 11.961 5.404 -6.454 71 HG23 ILE 11 3HG2 ILE 11 11.918 7.131 -6.103 72 HD11 ILE 11 3HD1 ILE 11 13.099 4.480 -9.179 73 HD12 ILE 11 1HD1 ILE 11 14.687 5.122 -8.760 74 HD13 ILE 11 2HD1 ILE 11 13.522 4.752 -7.488 75 H ILE 12 H ILE 12 8.692 5.149 -7.639 76 HA ILE 12 HA ILE 12 9.815 2.738 -6.429 77 HB ILE 12 HB ILE 12 7.120 3.927 -5.814 78 HG12 ILE 12 2HG1 ILE 12 9.803 4.664 -4.627 79 HG13 ILE 12 3HG1 ILE 12 8.741 5.720 -5.552 80 HG21 ILE 12 1HG2 ILE 12 7.632 1.648 -5.007 81 HG22 ILE 12 2HG2 ILE 12 9.017 2.298 -4.132 82 HG23 ILE 12 3HG2 ILE 12 7.384 2.801 -3.696 83 HD11 ILE 12 3HD1 ILE 12 8.256 6.390 -3.432 84 HD12 ILE 12 1HD1 ILE 12 7.039 5.132 -3.643 85 HD13 ILE 12 2HD1 ILE 12 8.516 4.787 -2.744 86 H ASN 13 H ASN 13 9.701 1.205 -8.042 87 HA ASN 13 HA ASN 13 7.182 0.733 -9.409 88 HB2 ASN 13 HB2 ASN 13 9.884 -0.610 -9.610 89 HB3 ASN 13 HB3 ASN 13 8.480 -1.084 -10.562 90 HD21 ASN 13 1HD2 ASN 13 10.408 1.774 -9.744 91 HD22 ASN 13 2HD2 ASN 13 10.325 2.491 -11.314 92 H GLN 14 H GLN 14 8.041 0.113 -6.425 93 HA GLN 14 HA GLN 14 7.514 -2.715 -6.246 94 HB2 GLN 14 HB2 GLN 14 7.917 -0.541 -4.202 95 HB3 GLN 14 HB3 GLN 14 7.465 -2.177 -3.743 96 HG2 GLN 14 2HG GLN 14 9.714 -2.352 -3.547 97 HG3 GLN 14 3HG GLN 14 9.547 -2.791 -5.247 98 HE21 GLN 14 1HE2 GLN 14 10.652 -1.666 -6.699 99 HE22 GLN 14 2HE2 GLN 14 11.481 -0.180 -6.400 100 H CYS 15 H CYS 15 5.429 -2.380 -7.477 101 HA CYS 15 HA CYS 15 3.239 -1.459 -5.760 102 HB2 CYS 15 HB2 CYS 15 3.446 -0.652 -8.147 103 HB3 CYS 15 HB3 CYS 15 3.079 -2.296 -8.658 104 H CYS 16 H CYS 16 2.619 -3.028 -4.402 105 HA CYS 16 HA CYS 16 2.857 -5.768 -4.757 106 HB2 CYS 16 HB2 CYS 16 0.698 -4.363 -3.170 107 HB3 CYS 16 HB3 CYS 16 1.278 -6.008 -2.929 108 H ASP 17 H ASP 17 -0.205 -3.947 -4.978 109 HA ASP 17 HA ASP 17 -1.028 -5.754 -7.147 110 HB2 ASP 17 HB2 ASP 17 -2.342 -5.284 -4.542 111 HB3 ASP 17 HB3 ASP 17 -3.408 -5.250 -5.944 112 HA PRO 18 HA PRO 18 -3.432 -5.891 -7.860 113 HB2 PRO 18 HB2 PRO 18 -3.976 -5.762 -10.517 114 HB3 PRO 18 HB3 PRO 18 -5.036 -5.068 -9.284 115 HG2 PRO 18 2HG PRO 18 -2.998 -3.715 -11.009 116 HG3 PRO 18 3HG PRO 18 -4.634 -3.181 -10.582 117 HD2 PRO 18 2HD PRO 18 -2.420 -2.213 -9.360 118 HD3 PRO 18 3HD PRO 18 -3.974 -2.392 -8.519 119 H TRP 19 H TRP 19 -1.353 -4.519 -10.418 120 HA TRP 19 HA TRP 19 0.252 -6.984 -10.308 121 HB2 TRP 19 HB2 TRP 19 -0.639 -5.474 -12.770 122 HB3 TRP 19 HB3 TRP 19 0.614 -6.712 -12.783 123 HD1 TRP 19 HD1 TRP 19 -3.140 -6.266 -12.708 124 HE1 TRP 19 HE1 TRP 19 -4.273 -8.570 -12.892 125 HE3 TRP 19 HE3 TRP 19 0.974 -9.243 -12.122 126 HZ2 TRP 19 HZ2 TRP 19 -3.522 -11.289 -12.800 127 HZ3 TRP 19 HZ3 TRP 19 0.681 -11.685 -12.182 128 HH2 TRP 19 HH2 TRP 19 -1.522 -12.685 -12.513 129 H LEU 20 H LEU 20 0.818 -4.333 -12.508 130 HA LEU 20 HA LEU 20 3.052 -3.411 -10.833 131 HB2 LEU 20 HB2 LEU 20 4.203 -3.047 -13.150 132 HB3 LEU 20 HB3 LEU 20 4.267 -4.615 -12.347 133 HG LEU 20 HG LEU 20 2.481 -5.435 -13.805 134 HD11 LEU 20 1HD1 LEU 20 2.373 -2.594 -14.570 135 HD12 LEU 20 2HD1 LEU 20 1.101 -3.815 -14.538 136 HD13 LEU 20 3HD1 LEU 20 2.229 -3.753 -15.892 137 HD21 LEU 20 3HD2 LEU 20 4.950 -5.499 -14.422 138 HD22 LEU 20 1HD2 LEU 20 4.595 -4.168 -15.523 139 HD23 LEU 20 2HD2 LEU 20 3.792 -5.724 -15.733 140 H CYS 21 H CYS 21 3.835 -1.249 -11.401 141 HA CYS 21 HA CYS 21 1.600 0.487 -12.074 142 HB2 CYS 21 HB2 CYS 21 4.171 0.780 -10.633 143 HB3 CYS 21 HB3 CYS 21 3.611 2.202 -11.509 144 H THR 22 H THR 22 1.344 1.439 -13.981 145 HA THR 22 HA THR 22 3.661 1.981 -15.672 146 HB THR 22 HB THR 22 1.284 0.378 -16.636 147 HG1 THR 22 HG1 THR 22 2.555 -1.189 -15.979 148 HG21 THR 22 3HG2 THR 22 2.209 2.087 -18.251 149 HG22 THR 22 1HG2 THR 22 2.250 0.415 -18.808 150 HG23 THR 22 2HG2 THR 22 3.722 1.183 -18.213 151 HA PRO 23 HA PRO 23 4.184 2.951 -17.477 152 HB2 PRO 23 HB2 PRO 23 5.228 5.454 -17.603 153 HB3 PRO 23 HB3 PRO 23 4.180 4.787 -18.859 154 HG2 PRO 23 2HG PRO 23 3.497 6.642 -16.612 155 HG3 PRO 23 3HG PRO 23 2.982 6.702 -18.307 156 HD2 PRO 23 2HD PRO 23 1.398 5.733 -16.336 157 HD3 PRO 23 3HD PRO 23 1.346 5.107 -17.997 158 HA PRO 24 HA PRO 24 6.684 3.013 -13.860 159 HB2 PRO 24 HB2 PRO 24 9.175 3.486 -14.828 160 HB3 PRO 24 HB3 PRO 24 8.327 1.954 -15.067 161 HG2 PRO 24 2HG PRO 24 8.622 4.267 -16.943 162 HG3 PRO 24 3HG PRO 24 8.752 2.531 -17.279 163 HD2 PRO 24 2HD PRO 24 6.523 3.962 -17.844 164 HD3 PRO 24 3HD PRO 24 6.466 2.251 -17.373 165 H ILE 25 H ILE 25 6.272 5.823 -15.681 166 HA ILE 25 HA ILE 25 7.905 7.494 -13.934 167 HB ILE 25 HB ILE 25 6.114 8.464 -16.151 168 HG12 ILE 25 2HG1 ILE 25 8.990 7.546 -16.351 169 HG13 ILE 25 3HG1 ILE 25 7.599 6.745 -17.073 170 HG21 ILE 25 1HG2 ILE 25 7.729 9.753 -14.255 171 HG22 ILE 25 2HG2 ILE 25 8.583 9.877 -15.793 172 HG23 ILE 25 3HG2 ILE 25 6.928 10.469 -15.653 173 HD11 ILE 25 3HD1 ILE 25 8.853 9.358 -17.822 174 HD12 ILE 25 1HD1 ILE 25 8.586 7.929 -18.820 175 HD13 ILE 25 2HD1 ILE 25 7.219 8.930 -18.329 176 H ILE 26 H ILE 26 4.580 7.838 -15.173 177 HA ILE 26 HA ILE 26 3.548 8.141 -12.482 178 HB ILE 26 HB ILE 26 3.632 10.427 -14.433 179 HG12 ILE 26 2HG1 ILE 26 4.030 11.459 -11.960 180 HG13 ILE 26 3HG1 ILE 26 4.665 9.835 -11.724 181 HG21 ILE 26 1HG2 ILE 26 2.064 11.468 -12.583 182 HG22 ILE 26 2HG2 ILE 26 1.404 10.583 -13.957 183 HG23 ILE 26 3HG2 ILE 26 1.568 9.787 -12.392 184 HD11 ILE 26 3HD1 ILE 26 5.970 12.033 -12.839 185 HD12 ILE 26 1HD1 ILE 26 6.538 10.365 -12.769 186 HD13 ILE 26 2HD1 ILE 26 5.649 10.936 -14.182 187 H GLY 27 H GLY 27 1.720 7.022 -12.435 188 HA2 GLY 27 2HA GLY 27 -0.413 7.447 -14.251 189 HA3 GLY 27 3HA GLY 27 0.426 5.957 -14.657 190 H PHE 28 H PHE 28 -1.141 4.514 -14.101 191 HA PHE 28 HA PHE 28 -1.782 4.367 -11.234 192 HB2 PHE 28 HB2 PHE 28 -3.704 3.834 -13.510 193 HB3 PHE 28 HB3 PHE 28 -4.053 3.599 -11.800 194 HD1 PHE 28 HD1 PHE 28 -3.905 5.653 -10.280 195 HD2 PHE 28 HD2 PHE 28 -4.114 5.878 -14.525 196 HE1 PHE 28 HE1 PHE 28 -4.671 7.985 -10.115 197 HE2 PHE 28 HE2 PHE 28 -4.879 8.211 -14.367 198 HZ PHE 28 HZ PHE 28 -5.158 9.268 -12.160 199 H CYS 29 H CYS 29 -1.791 2.346 -10.333 200 HA CYS 29 HA CYS 29 -0.371 0.302 -11.741 201 HB2 CYS 29 HB2 CYS 29 -0.425 0.897 -9.175 202 HB3 CYS 29 HB3 CYS 29 -1.783 -0.223 -9.155 203 H LEU 30 H LEU 30 -1.143 -1.365 -12.866 204 HA LEU 30 HA LEU 30 -3.863 -2.311 -12.402 205 HB2 LEU 30 HB2 LEU 30 -4.456 -2.215 -14.746 206 HB3 LEU 30 HB3 LEU 30 -4.076 -0.605 -14.138 207 HG LEU 30 HG LEU 30 -2.006 -2.200 -15.602 208 HD11 LEU 30 1HD1 LEU 30 -4.131 -0.474 -16.865 209 HD12 LEU 30 2HD1 LEU 30 -3.978 -2.223 -17.033 210 HD13 LEU 30 3HD1 LEU 30 -2.732 -1.162 -17.689 211 HD21 LEU 30 3HD2 LEU 30 -2.505 0.681 -14.953 212 HD22 LEU 30 1HD2 LEU 30 -1.453 0.223 -16.293 213 HD23 LEU 30 2HD2 LEU 30 -1.069 -0.299 -14.652 Start of MODEL 8 1 H1 CYS 1 H CYS 1 1.576 0.528 0.721 2 HA CYS 1 HA CYS 1 2.881 0.657 -1.136 3 HB2 CYS 1 HB2 CYS 1 3.207 -1.519 -2.431 4 HB3 CYS 1 HB3 CYS 1 3.668 -1.536 -0.732 5 H ILE 2 H ILE 2 1.008 2.072 -1.798 6 HA ILE 2 HA ILE 2 -0.312 2.893 -3.459 7 HB ILE 2 HB ILE 2 0.738 0.578 -5.090 8 HG12 ILE 2 2HG1 ILE 2 2.568 1.946 -4.238 9 HG13 ILE 2 3HG1 ILE 2 2.365 2.220 -5.965 10 HG21 ILE 2 1HG2 ILE 2 -0.722 3.101 -5.817 11 HG22 ILE 2 2HG2 ILE 2 0.229 2.188 -6.987 12 HG23 ILE 2 3HG2 ILE 2 -1.155 1.434 -6.196 13 HD11 ILE 2 3HD1 ILE 2 2.572 4.366 -5.304 14 HD12 ILE 2 1HD1 ILE 2 0.835 4.197 -5.053 15 HD13 ILE 2 2HD1 ILE 2 1.943 4.049 -3.688 16 H ALA 3 H ALA 3 -2.411 2.727 -3.026 17 HA ALA 3 HA ALA 3 -3.793 0.363 -2.451 18 HB1 ALA 3 1HB ALA 3 -5.303 2.651 -3.585 19 HB2 ALA 3 HB2 ALA 3 -5.629 1.675 -2.152 20 HB3 ALA 3 HB3 ALA 3 -4.384 2.923 -2.105 21 H HIS 4 H HIS 4 -5.595 -0.584 -3.670 22 HA HIS 4 HA HIS 4 -4.854 -1.597 -6.121 23 HB2 HIS 4 HB2 HIS 4 -7.331 -1.512 -4.543 24 HB3 HIS 4 HB3 HIS 4 -7.589 -1.711 -6.274 25 HD1 HIS 4 HD1 HIS 4 -5.713 -3.358 -3.421 26 HD2 HIS 4 HD2 HIS 4 -7.209 -4.249 -7.193 27 HE1 HIS 4 HE1 HIS 4 -5.399 -5.837 -3.700 28 H TYR 5 H TYR 5 -4.626 -0.706 -8.054 29 HA TYR 5 HA TYR 5 -4.848 0.679 -9.844 30 HB2 TYR 5 HB2 TYR 5 -7.601 1.407 -8.874 31 HB3 TYR 5 HB3 TYR 5 -7.018 1.273 -10.529 32 HD1 TYR 5 HD1 TYR 5 -5.671 -1.388 -10.381 33 HD2 TYR 5 HD2 TYR 5 -9.418 -0.074 -8.851 34 HE1 TYR 5 HE1 TYR 5 -6.520 -3.693 -10.497 35 HE2 TYR 5 HE2 TYR 5 -10.277 -2.376 -8.962 36 HH TYR 5 HH TYR 5 -9.687 -4.551 -9.219 37 H GLY 6 H GLY 6 -3.713 1.725 -7.436 38 HA2 GLY 6 2HA GLY 6 -4.685 4.487 -7.324 39 HA3 GLY 6 3HA GLY 6 -3.539 3.748 -6.215 40 H LYS 7 H LYS 7 -3.038 6.233 -7.242 41 HA LYS 7 HA LYS 7 -1.449 6.172 -9.600 42 HB2 LYS 7 HB2 LYS 7 -2.447 8.140 -7.828 43 HB3 LYS 7 HB3 LYS 7 -0.699 8.334 -7.867 44 HG2 LYS 7 2HG LYS 7 -1.862 7.963 -10.510 45 HG3 LYS 7 3HG LYS 7 -2.479 9.386 -9.668 46 HD2 LYS 7 2HD LYS 7 0.447 8.740 -10.014 47 HD3 LYS 7 3HD LYS 7 -0.464 9.837 -11.054 48 HE2 LYS 7 2HE LYS 7 -1.078 11.019 -8.823 49 HE3 LYS 7 3HE LYS 7 0.320 10.155 -8.184 50 HZ1 LYS 7 3HZ LYS 7 1.556 11.790 -8.994 51 HZ2 LYS 7 1HZ LYS 7 0.243 12.484 -9.804 52 HZ3 LYS 7 2HZ LYS 7 1.158 11.276 -10.555 53 H CYS 8 H CYS 8 0.827 6.405 -9.783 54 HA CYS 8 HA CYS 8 2.316 5.363 -7.462 55 HB2 CYS 8 HB2 CYS 8 2.077 4.297 -10.080 56 HB3 CYS 8 HB3 CYS 8 3.724 4.898 -9.914 57 H ASP 9 H ASP 9 4.413 6.161 -7.099 58 HA ASP 9 HA ASP 9 4.753 8.918 -7.750 59 HB2 ASP 9 HB2 ASP 9 6.565 6.947 -6.346 60 HB3 ASP 9 HB3 ASP 9 6.918 8.665 -6.506 61 H GLY 10 H GLY 10 6.102 5.905 -8.931 62 HA2 GLY 10 2HA GLY 10 6.777 5.992 -11.319 63 HA3 GLY 10 3HA GLY 10 7.650 7.462 -10.911 64 H ILE 11 H ILE 11 9.376 7.209 -9.225 65 HA ILE 11 HA ILE 11 11.253 5.305 -10.044 66 HB ILE 11 HB ILE 11 11.375 7.547 -8.509 67 HG12 ILE 11 2HG1 ILE 11 13.206 6.673 -9.838 68 HG13 ILE 11 3HG1 ILE 11 13.775 6.970 -8.200 69 HG21 ILE 11 1HG2 ILE 11 12.033 5.289 -6.629 70 HG22 ILE 11 2HG2 ILE 11 12.071 7.019 -6.293 71 HG23 ILE 11 3HG2 ILE 11 10.529 6.208 -6.566 72 HD11 ILE 11 3HD1 ILE 11 14.668 4.895 -9.019 73 HD12 ILE 11 1HD1 ILE 11 13.528 4.572 -7.713 74 HD13 ILE 11 2HD1 ILE 11 13.048 4.306 -9.389 75 H ILE 12 H ILE 12 8.731 5.139 -7.675 76 HA ILE 12 HA ILE 12 9.821 2.735 -6.448 77 HB ILE 12 HB ILE 12 7.175 4.082 -5.901 78 HG12 ILE 12 2HG1 ILE 12 9.853 4.406 -4.530 79 HG13 ILE 12 3HG1 ILE 12 8.996 5.636 -5.453 80 HG21 ILE 12 1HG2 ILE 12 8.385 2.620 -3.724 81 HG22 ILE 12 2HG2 ILE 12 6.776 2.465 -4.428 82 HG23 ILE 12 3HG2 ILE 12 8.135 1.589 -5.132 83 HD11 ILE 12 3HD1 ILE 12 8.404 6.281 -3.372 84 HD12 ILE 12 1HD1 ILE 12 7.116 5.112 -3.656 85 HD13 ILE 12 2HD1 ILE 12 8.530 4.653 -2.707 86 H ASN 13 H ASN 13 9.726 1.173 -8.038 87 HA ASN 13 HA ASN 13 7.215 0.661 -9.405 88 HB2 ASN 13 HB2 ASN 13 9.923 -0.677 -9.567 89 HB3 ASN 13 HB3 ASN 13 8.525 -1.170 -10.518 90 HD21 ASN 13 1HD2 ASN 13 10.491 1.673 -9.758 91 HD22 ASN 13 2HD2 ASN 13 10.397 2.374 -11.334 92 H GLN 14 H GLN 14 8.062 0.104 -6.406 93 HA GLN 14 HA GLN 14 7.549 -2.722 -6.172 94 HB2 GLN 14 HB2 GLN 14 7.831 -0.529 -4.116 95 HB3 GLN 14 HB3 GLN 14 7.552 -2.216 -3.706 96 HG2 GLN 14 2HG GLN 14 9.817 -2.121 -3.516 97 HG3 GLN 14 3HG GLN 14 9.667 -2.601 -5.206 98 HE21 GLN 14 1HE2 GLN 14 10.262 -1.195 -6.804 99 HE22 GLN 14 2HE2 GLN 14 11.078 0.297 -6.499 100 H CYS 15 H CYS 15 5.470 -2.428 -7.421 101 HA CYS 15 HA CYS 15 3.265 -1.515 -5.713 102 HB2 CYS 15 HB2 CYS 15 3.444 -0.635 -8.054 103 HB3 CYS 15 HB3 CYS 15 3.174 -2.274 -8.638 104 H CYS 16 H CYS 16 2.639 -3.111 -4.389 105 HA CYS 16 HA CYS 16 2.892 -5.844 -4.794 106 HB2 CYS 16 HB2 CYS 16 0.711 -4.488 -3.196 107 HB3 CYS 16 HB3 CYS 16 1.317 -6.127 -2.975 108 H ASP 17 H ASP 17 -0.176 -4.032 -4.997 109 HA ASP 17 HA ASP 17 -0.983 -5.807 -7.198 110 HB2 ASP 17 HB2 ASP 17 -3.373 -5.382 -6.059 111 HB3 ASP 17 HB3 ASP 17 -2.351 -6.754 -5.638 112 HA PRO 18 HA PRO 18 -3.361 -5.938 -7.955 113 HB2 PRO 18 HB2 PRO 18 -3.860 -5.771 -10.618 114 HB3 PRO 18 HB3 PRO 18 -4.944 -5.101 -9.394 115 HG2 PRO 18 2HG PRO 18 -2.882 -3.713 -11.062 116 HG3 PRO 18 3HG PRO 18 -4.528 -3.192 -10.656 117 HD2 PRO 18 2HD PRO 18 -2.340 -2.234 -9.380 118 HD3 PRO 18 3HD PRO 18 -3.907 -2.432 -8.570 119 H TRP 19 H TRP 19 -1.247 -4.521 -10.458 120 HA TRP 19 HA TRP 19 0.367 -6.981 -10.356 121 HB2 TRP 19 HB2 TRP 19 -0.489 -5.435 -12.809 122 HB3 TRP 19 HB3 TRP 19 0.772 -6.665 -12.821 123 HD1 TRP 19 HD1 TRP 19 -2.985 -6.244 -12.807 124 HE1 TRP 19 HE1 TRP 19 -4.100 -8.551 -13.046 125 HE3 TRP 19 HE3 TRP 19 1.137 -9.205 -12.189 126 HZ2 TRP 19 HZ2 TRP 19 -3.334 -11.267 -12.981 127 HZ3 TRP 19 HZ3 TRP 19 0.860 -11.647 -12.291 128 HH2 TRP 19 HH2 TRP 19 -1.330 -12.655 -12.679 129 H LEU 20 H LEU 20 0.980 -4.316 -12.520 130 HA LEU 20 HA LEU 20 3.160 -3.387 -10.780 131 HB2 LEU 20 HB2 LEU 20 4.399 -3.031 -13.041 132 HB3 LEU 20 HB3 LEU 20 4.411 -4.611 -12.258 133 HG LEU 20 HG LEU 20 2.671 -5.385 -13.796 134 HD11 LEU 20 1HD1 LEU 20 2.507 -3.696 -15.870 135 HD12 LEU 20 2HD1 LEU 20 2.663 -2.532 -14.554 136 HD13 LEU 20 3HD1 LEU 20 1.351 -3.710 -14.538 137 HD21 LEU 20 3HD2 LEU 20 4.065 -5.713 -15.638 138 HD22 LEU 20 1HD2 LEU 20 5.186 -5.435 -14.305 139 HD23 LEU 20 2HD2 LEU 20 4.840 -4.139 -15.451 140 H CYS 21 H CYS 21 3.957 -1.225 -11.333 141 HA CYS 21 HA CYS 21 1.740 0.508 -12.057 142 HB2 CYS 21 HB2 CYS 21 4.363 0.864 -10.681 143 HB3 CYS 21 HB3 CYS 21 3.639 2.267 -11.460 144 H THR 22 H THR 22 1.501 1.437 -13.977 145 HA THR 22 HA THR 22 3.831 1.981 -15.646 146 HB THR 22 HB THR 22 1.491 0.335 -16.627 147 HG1 THR 22 HG1 THR 22 3.149 -0.791 -15.409 148 HG21 THR 22 3HG2 THR 22 2.502 0.350 -18.780 149 HG22 THR 22 1HG2 THR 22 3.951 1.147 -18.168 150 HG23 THR 22 2HG2 THR 22 2.427 2.030 -18.250 151 HA PRO 23 HA PRO 23 4.367 2.938 -17.453 152 HB2 PRO 23 HB2 PRO 23 5.375 5.455 -17.594 153 HB3 PRO 23 HB3 PRO 23 4.357 4.756 -18.858 154 HG2 PRO 23 2HG PRO 23 3.611 6.628 -16.644 155 HG3 PRO 23 3HG PRO 23 3.121 6.659 -18.348 156 HD2 PRO 23 2HD PRO 23 1.522 5.690 -16.390 157 HD3 PRO 23 3HD PRO 23 1.505 5.043 -18.043 158 HA PRO 24 HA PRO 24 6.810 3.083 -13.800 159 HB2 PRO 24 HB2 PRO 24 9.308 3.586 -14.735 160 HB3 PRO 24 HB3 PRO 24 8.489 2.037 -14.968 161 HG2 PRO 24 2HG PRO 24 8.776 4.333 -16.868 162 HG3 PRO 24 3HG PRO 24 8.938 2.595 -17.180 163 HD2 PRO 24 2HD PRO 24 6.696 3.983 -17.796 164 HD3 PRO 24 3HD PRO 24 6.659 2.277 -17.307 165 H ILE 25 H ILE 25 6.377 5.865 -15.657 166 HA ILE 25 HA ILE 25 7.959 7.583 -13.910 167 HB ILE 25 HB ILE 25 6.180 8.484 -16.167 168 HG12 ILE 25 2HG1 ILE 25 9.089 7.659 -16.298 169 HG13 ILE 25 3HG1 ILE 25 7.741 6.796 -17.030 170 HG21 ILE 25 1HG2 ILE 25 8.597 9.977 -15.778 171 HG22 ILE 25 2HG2 ILE 25 6.922 10.517 -15.678 172 HG23 ILE 25 3HG2 ILE 25 7.717 9.844 -14.255 173 HD11 ILE 25 3HD1 ILE 25 9.284 8.972 -18.063 174 HD12 ILE 25 1HD1 ILE 25 8.072 7.974 -18.868 175 HD13 ILE 25 2HD1 ILE 25 7.580 9.420 -17.985 176 H ILE 26 H ILE 26 4.645 7.863 -15.194 177 HA ILE 26 HA ILE 26 3.572 8.168 -12.519 178 HB ILE 26 HB ILE 26 3.660 10.446 -14.480 179 HG12 ILE 26 2HG1 ILE 26 3.987 11.489 -11.997 180 HG13 ILE 26 3HG1 ILE 26 4.649 9.877 -11.751 181 HG21 ILE 26 1HG2 ILE 26 1.569 9.797 -12.464 182 HG22 ILE 26 2HG2 ILE 26 2.038 11.482 -12.686 183 HG23 ILE 26 3HG2 ILE 26 1.414 10.554 -14.050 184 HD11 ILE 26 3HD1 ILE 26 5.932 12.101 -12.837 185 HD12 ILE 26 1HD1 ILE 26 6.530 10.443 -12.763 186 HD13 ILE 26 2HD1 ILE 26 5.655 11.003 -14.189 187 H GLY 27 H GLY 27 1.755 7.031 -12.491 188 HA2 GLY 27 2HA GLY 27 -0.357 7.416 -14.337 189 HA3 GLY 27 3HA GLY 27 0.508 5.937 -14.727 190 H PHE 28 H PHE 28 -1.036 4.468 -14.184 191 HA PHE 28 HA PHE 28 -1.722 4.327 -11.328 192 HB2 PHE 28 HB2 PHE 28 -3.590 3.765 -13.641 193 HB3 PHE 28 HB3 PHE 28 -3.966 3.490 -11.943 194 HD1 PHE 28 HD2 PHE 28 -3.891 5.522 -10.383 195 HD2 PHE 28 HD1 PHE 28 -4.036 5.815 -14.627 196 HE1 PHE 28 HE2 PHE 28 -4.716 7.831 -10.192 197 HE2 PHE 28 HE1 PHE 28 -4.861 8.125 -14.442 198 HZ PHE 28 HZ PHE 28 -5.204 9.136 -12.223 199 H CYS 29 H CYS 29 -1.710 2.311 -10.414 200 HA CYS 29 HA CYS 29 -0.226 0.285 -11.782 201 HB2 CYS 29 HB2 CYS 29 -0.290 0.880 -9.237 202 HB3 CYS 29 HB3 CYS 29 -1.680 -0.200 -9.203 203 H LEU 30 H LEU 30 -0.948 -1.395 -12.918 204 HA LEU 30 HA LEU 30 -3.675 -2.362 -12.510 205 HB2 LEU 30 HB2 LEU 30 -2.548 -1.458 -15.153 206 HB3 LEU 30 HB3 LEU 30 -3.998 -2.447 -14.992 207 HG LEU 30 HG LEU 30 -4.273 -0.108 -13.369 208 HD11 LEU 30 1HD1 LEU 30 -2.596 0.840 -14.930 209 HD12 LEU 30 2HD1 LEU 30 -4.171 1.627 -15.023 210 HD13 LEU 30 3HD1 LEU 30 -3.688 0.474 -16.267 211 HD21 LEU 30 3HD2 LEU 30 -5.726 -0.617 -15.933 212 HD22 LEU 30 1HD2 LEU 30 -6.333 0.038 -14.412 213 HD23 LEU 30 2HD2 LEU 30 -5.964 -1.682 -14.547 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.825 0.421 0.795 2 HA CYS 1 HA CYS 1 2.912 0.696 -1.196 3 HB2 CYS 1 HB2 CYS 1 3.144 -1.481 -2.499 4 HB3 CYS 1 HB3 CYS 1 3.660 -1.519 -0.816 5 H ILE 2 H ILE 2 0.963 2.124 -1.716 6 HA ILE 2 HA ILE 2 -0.428 2.971 -3.305 7 HB ILE 2 HB ILE 2 0.636 0.729 -5.028 8 HG12 ILE 2 2HG1 ILE 2 2.432 2.167 -4.228 9 HG13 ILE 2 3HG1 ILE 2 2.143 2.469 -5.938 10 HG21 ILE 2 1HG2 ILE 2 -1.375 1.545 -5.996 11 HG22 ILE 2 2HG2 ILE 2 -0.918 3.220 -5.690 12 HG23 ILE 2 3HG2 ILE 2 -0.041 2.272 -6.891 13 HD11 ILE 2 3HD1 ILE 2 0.600 4.372 -5.017 14 HD12 ILE 2 1HD1 ILE 2 1.619 4.209 -3.587 15 HD13 ILE 2 2HD1 ILE 2 2.344 4.599 -5.148 16 H ALA 3 H ALA 3 -2.518 2.766 -2.860 17 HA ALA 3 HA ALA 3 -3.846 0.378 -2.268 18 HB1 ALA 3 1HB ALA 3 -4.475 2.936 -1.925 19 HB2 ALA 3 HB2 ALA 3 -5.431 2.625 -3.375 20 HB3 ALA 3 HB3 ALA 3 -5.691 1.659 -1.923 21 H HIS 4 H HIS 4 -5.666 -0.587 -3.459 22 HA HIS 4 HA HIS 4 -4.952 -1.609 -5.911 23 HB2 HIS 4 HB2 HIS 4 -7.427 -1.499 -4.324 24 HB3 HIS 4 HB3 HIS 4 -7.680 -1.735 -6.051 25 HD1 HIS 4 HD1 HIS 4 -5.621 -3.288 -3.254 26 HD2 HIS 4 HD2 HIS 4 -7.479 -4.321 -6.823 27 HE1 HIS 4 HE1 HIS 4 -5.348 -5.780 -3.457 28 H TYR 5 H TYR 5 -4.738 -0.731 -7.851 29 HA TYR 5 HA TYR 5 -4.973 0.642 -9.648 30 HB2 TYR 5 HB2 TYR 5 -7.714 1.391 -8.667 31 HB3 TYR 5 HB3 TYR 5 -7.145 1.225 -10.324 32 HD1 TYR 5 HD1 TYR 5 -5.823 -1.435 -10.171 33 HD2 TYR 5 HD2 TYR 5 -9.528 -0.084 -8.575 34 HE1 TYR 5 HE1 TYR 5 -6.685 -3.737 -10.241 35 HE2 TYR 5 HE2 TYR 5 -10.400 -2.383 -8.639 36 HH TYR 5 HH TYR 5 -9.816 -4.532 -10.097 37 H GLY 6 H GLY 6 -3.824 1.700 -7.247 38 HA2 GLY 6 2HA GLY 6 -4.762 4.485 -7.222 39 HA3 GLY 6 3HA GLY 6 -3.710 3.746 -6.024 40 H LYS 7 H LYS 7 -3.272 6.232 -7.377 41 HA LYS 7 HA LYS 7 -1.376 5.905 -9.473 42 HB2 LYS 7 HB2 LYS 7 -2.777 8.025 -8.417 43 HB3 LYS 7 HB3 LYS 7 -1.134 8.358 -7.886 44 HG2 LYS 7 2HG LYS 7 -1.398 7.583 -10.707 45 HG3 LYS 7 3HG LYS 7 -2.155 9.116 -10.268 46 HD2 LYS 7 2HD LYS 7 0.697 8.380 -9.617 47 HD3 LYS 7 3HD LYS 7 0.211 9.329 -11.024 48 HE2 LYS 7 2HE LYS 7 -0.973 10.842 -9.289 49 HE3 LYS 7 3HE LYS 7 0.075 10.045 -8.118 50 HZ1 LYS 7 3HZ LYS 7 1.159 12.011 -8.831 51 HZ2 LYS 7 1HZ LYS 7 0.902 11.657 -10.465 52 HZ3 LYS 7 2HZ LYS 7 1.977 10.720 -9.557 53 H CYS 8 H CYS 8 0.882 6.204 -9.415 54 HA CYS 8 HA CYS 8 2.100 5.742 -6.771 55 HB2 CYS 8 HB2 CYS 8 3.955 4.627 -8.221 56 HB3 CYS 8 HB3 CYS 8 2.480 3.730 -7.873 57 H ASP 9 H ASP 9 4.361 6.472 -6.585 58 HA ASP 9 HA ASP 9 4.621 9.172 -7.407 59 HB2 ASP 9 HB2 ASP 9 5.578 8.342 -5.303 60 HB3 ASP 9 HB3 ASP 9 6.689 7.317 -6.207 61 H GLY 10 H GLY 10 5.866 6.138 -8.637 62 HA2 GLY 10 2HA GLY 10 6.290 6.160 -11.082 63 HA3 GLY 10 3HA GLY 10 7.189 7.645 -10.809 64 H ILE 11 H ILE 11 9.036 7.404 -9.188 65 HA ILE 11 HA ILE 11 10.888 5.565 -10.186 66 HB ILE 11 HB ILE 11 11.069 7.758 -8.587 67 HG12 ILE 11 2HG1 ILE 11 12.824 6.969 -10.062 68 HG13 ILE 11 3HG1 ILE 11 13.494 7.221 -8.454 69 HG21 ILE 11 1HG2 ILE 11 11.896 5.457 -6.831 70 HG22 ILE 11 2HG2 ILE 11 11.915 7.176 -6.441 71 HG23 ILE 11 3HG2 ILE 11 10.378 6.334 -6.641 72 HD11 ILE 11 3HD1 ILE 11 14.367 5.193 -9.408 73 HD12 ILE 11 1HD1 ILE 11 13.327 4.804 -8.038 74 HD13 ILE 11 2HD1 ILE 11 12.736 4.584 -9.685 75 H ILE 12 H ILE 12 8.529 5.270 -7.667 76 HA ILE 12 HA ILE 12 9.744 2.858 -6.582 77 HB ILE 12 HB ILE 12 7.147 4.220 -5.857 78 HG12 ILE 12 2HG1 ILE 12 9.078 4.285 -3.769 79 HG13 ILE 12 3HG1 ILE 12 9.867 4.846 -5.239 80 HG21 ILE 12 1HG2 ILE 12 6.761 2.116 -5.075 81 HG22 ILE 12 2HG2 ILE 12 8.476 1.742 -4.912 82 HG23 ILE 12 3HG2 ILE 12 7.678 2.758 -3.712 83 HD11 ILE 12 3HD1 ILE 12 8.571 6.709 -5.388 84 HD12 ILE 12 1HD1 ILE 12 7.200 5.959 -4.570 85 HD13 ILE 12 2HD1 ILE 12 8.599 6.496 -3.638 86 H ASN 13 H ASN 13 9.590 1.267 -8.103 87 HA ASN 13 HA ASN 13 7.053 0.759 -9.428 88 HB2 ASN 13 HB2 ASN 13 9.744 -0.607 -9.641 89 HB3 ASN 13 HB3 ASN 13 8.328 -1.051 -10.588 90 HD21 ASN 13 1HD2 ASN 13 10.346 1.746 -9.786 91 HD22 ASN 13 2HD2 ASN 13 10.260 2.474 -11.351 92 H GLN 14 H GLN 14 7.939 0.214 -6.446 93 HA GLN 14 HA GLN 14 7.462 -2.614 -6.189 94 HB2 GLN 14 HB2 GLN 14 7.749 -0.391 -4.169 95 HB3 GLN 14 HB3 GLN 14 7.440 -2.062 -3.718 96 HG2 GLN 14 2HG GLN 14 9.704 -2.010 -3.527 97 HG3 GLN 14 3HG GLN 14 9.551 -2.516 -5.209 98 HE21 GLN 14 1HE2 GLN 14 10.325 -1.234 -6.792 99 HE22 GLN 14 2HE2 GLN 14 11.108 0.282 -6.523 100 H CYS 15 H CYS 15 5.375 -2.364 -7.432 101 HA CYS 15 HA CYS 15 3.162 -1.474 -5.721 102 HB2 CYS 15 HB2 CYS 15 3.393 -0.657 -8.124 103 HB3 CYS 15 HB3 CYS 15 2.977 -2.295 -8.618 104 H CYS 16 H CYS 16 2.564 -3.073 -4.389 105 HA CYS 16 HA CYS 16 2.862 -5.801 -4.767 106 HB2 CYS 16 HB2 CYS 16 0.651 -4.455 -3.201 107 HB3 CYS 16 HB3 CYS 16 1.252 -6.093 -2.969 108 H ASP 17 H ASP 17 -0.241 -4.056 -5.014 109 HA ASP 17 HA ASP 17 -0.986 -5.858 -7.215 110 HB2 ASP 17 HB2 ASP 17 -2.300 -5.521 -4.613 111 HB3 ASP 17 HB3 ASP 17 -3.391 -5.357 -5.986 112 HA PRO 18 HA PRO 18 -3.372 -6.047 -7.969 113 HB2 PRO 18 HB2 PRO 18 -3.876 -5.902 -10.633 114 HB3 PRO 18 HB3 PRO 18 -4.974 -5.250 -9.411 115 HG2 PRO 18 2HG PRO 18 -2.943 -3.826 -11.087 116 HG3 PRO 18 3HG PRO 18 -4.599 -3.338 -10.681 117 HD2 PRO 18 2HD PRO 18 -2.430 -2.329 -9.413 118 HD3 PRO 18 3HD PRO 18 -3.992 -2.556 -8.600 119 H TRP 19 H TRP 19 -1.289 -4.595 -10.480 120 HA TRP 19 HA TRP 19 0.388 -7.010 -10.357 121 HB2 TRP 19 HB2 TRP 19 -0.525 -5.537 -12.834 122 HB3 TRP 19 HB3 TRP 19 0.761 -6.741 -12.828 123 HD1 TRP 19 HD1 TRP 19 -3.006 -6.397 -12.787 124 HE1 TRP 19 HE1 TRP 19 -4.073 -8.732 -12.972 125 HE3 TRP 19 HE3 TRP 19 1.184 -9.258 -12.158 126 HZ2 TRP 19 HZ2 TRP 19 -3.249 -11.429 -12.866 127 HZ3 TRP 19 HZ3 TRP 19 0.959 -11.707 -12.213 128 HH2 TRP 19 HH2 TRP 19 -1.213 -12.769 -12.559 129 H LEU 20 H LEU 20 0.870 -4.332 -12.551 130 HA LEU 20 HA LEU 20 3.078 -3.356 -10.871 131 HB2 LEU 20 HB2 LEU 20 4.181 -2.910 -13.208 132 HB3 LEU 20 HB3 LEU 20 4.335 -4.473 -12.409 133 HG LEU 20 HG LEU 20 2.521 -5.348 -13.837 134 HD11 LEU 20 1HD1 LEU 20 2.062 -3.894 -15.914 135 HD12 LEU 20 2HD1 LEU 20 2.586 -2.550 -14.901 136 HD13 LEU 20 3HD1 LEU 20 1.201 -3.529 -14.419 137 HD21 LEU 20 3HD2 LEU 20 4.723 -4.100 -15.470 138 HD22 LEU 20 1HD2 LEU 20 3.834 -5.584 -15.814 139 HD23 LEU 20 2HD2 LEU 20 4.941 -5.518 -14.443 140 H CYS 21 H CYS 21 3.783 -1.159 -11.406 141 HA CYS 21 HA CYS 21 1.484 0.500 -12.096 142 HB2 CYS 21 HB2 CYS 21 3.425 0.707 -10.136 143 HB3 CYS 21 HB3 CYS 21 3.930 1.901 -11.327 144 H THR 22 H THR 22 1.256 1.296 -14.068 145 HA THR 22 HA THR 22 3.639 2.068 -15.590 146 HB THR 22 HB THR 22 1.675 -0.007 -16.356 147 HG1 THR 22 HG1 THR 22 4.030 -0.240 -16.012 148 HG21 THR 22 3HG2 THR 22 2.624 2.112 -18.278 149 HG22 THR 22 1HG2 THR 22 0.963 1.627 -17.937 150 HG23 THR 22 2HG2 THR 22 2.045 0.528 -18.792 151 HA PRO 23 HA PRO 23 4.131 3.002 -17.484 152 HB2 PRO 23 HB2 PRO 23 5.102 5.531 -17.658 153 HB3 PRO 23 HB3 PRO 23 4.066 4.813 -18.897 154 HG2 PRO 23 2HG PRO 23 3.343 6.686 -16.677 155 HG3 PRO 23 3HG PRO 23 2.817 6.702 -18.370 156 HD2 PRO 23 2HD PRO 23 1.272 5.721 -16.374 157 HD3 PRO 23 3HD PRO 23 1.229 5.067 -18.024 158 HA PRO 24 HA PRO 24 6.640 3.191 -13.878 159 HB2 PRO 24 HB2 PRO 24 9.116 3.696 -14.870 160 HB3 PRO 24 HB3 PRO 24 8.300 2.141 -15.071 161 HG2 PRO 24 2HG PRO 24 8.536 4.419 -16.999 162 HG3 PRO 24 3HG PRO 24 8.701 2.679 -17.297 163 HD2 PRO 24 2HD PRO 24 6.439 4.049 -17.881 164 HD3 PRO 24 3HD PRO 24 6.421 2.348 -17.373 165 H ILE 25 H ILE 25 6.193 5.953 -15.780 166 HA ILE 25 HA ILE 25 7.513 7.650 -13.763 167 HB ILE 25 HB ILE 25 7.343 9.439 -15.600 168 HG12 ILE 25 2HG1 ILE 25 7.054 6.938 -17.280 169 HG13 ILE 25 3HG1 ILE 25 5.836 8.194 -17.084 170 HG21 ILE 25 1HG2 ILE 25 9.301 7.549 -14.940 171 HG22 ILE 25 2HG2 ILE 25 9.296 7.644 -16.701 172 HG23 ILE 25 3HG2 ILE 25 9.534 9.103 -15.740 173 HD11 ILE 25 3HD1 ILE 25 7.252 9.792 -18.201 174 HD12 ILE 25 1HD1 ILE 25 8.551 8.604 -18.313 175 HD13 ILE 25 2HD1 ILE 25 7.051 8.359 -19.209 176 H ILE 26 H ILE 26 5.646 7.543 -12.407 177 HA ILE 26 HA ILE 26 3.712 8.361 -11.532 178 HB ILE 26 HB ILE 26 3.966 10.422 -13.726 179 HG12 ILE 26 2HG1 ILE 26 4.702 11.760 -11.562 180 HG13 ILE 26 3HG1 ILE 26 5.129 10.152 -10.987 181 HG21 ILE 26 1HG2 ILE 26 2.641 11.685 -11.769 182 HG22 ILE 26 2HG2 ILE 26 1.836 10.830 -13.084 183 HG23 ILE 26 3HG2 ILE 26 2.041 10.046 -11.518 184 HD11 ILE 26 3HD1 ILE 26 6.732 9.860 -12.662 185 HD12 ILE 26 1HD1 ILE 26 6.098 11.196 -13.622 186 HD13 ILE 26 2HD1 ILE 26 6.947 11.521 -12.111 187 H GLY 27 H GLY 27 2.532 6.496 -12.126 188 HA2 GLY 27 2HA GLY 27 0.487 7.053 -14.152 189 HA3 GLY 27 3HA GLY 27 1.404 5.560 -14.296 190 H PHE 28 H PHE 28 -0.614 4.435 -14.101 191 HA PHE 28 HA PHE 28 -1.544 4.267 -11.311 192 HB2 PHE 28 HB2 PHE 28 -3.185 3.925 -13.829 193 HB3 PHE 28 HB3 PHE 28 -3.776 3.655 -12.193 194 HD1 PHE 28 HD1 PHE 28 -3.930 5.578 -10.615 195 HD2 PHE 28 HD2 PHE 28 -3.077 6.088 -14.754 196 HE1 PHE 28 HE1 PHE 28 -4.551 7.953 -10.447 197 HE2 PHE 28 HE2 PHE 28 -3.695 8.464 -14.592 198 HZ PHE 28 HZ PHE 28 -4.432 9.400 -12.436 199 H CYS 29 H CYS 29 -1.726 2.271 -10.417 200 HA CYS 29 HA CYS 29 -0.398 0.102 -11.749 201 HB2 CYS 29 HB2 CYS 29 -0.596 0.789 -9.158 202 HB3 CYS 29 HB3 CYS 29 -1.897 -0.395 -9.234 203 H LEU 30 H LEU 30 -1.272 -1.532 -12.851 204 HA LEU 30 HA LEU 30 -4.030 -2.321 -12.416 205 HB2 LEU 30 HB2 LEU 30 -4.762 -2.007 -14.649 206 HB3 LEU 30 HB3 LEU 30 -4.087 -0.476 -14.095 207 HG LEU 30 HG LEU 30 -2.482 -2.396 -15.757 208 HD11 LEU 30 1HD1 LEU 30 -4.498 -0.362 -16.653 209 HD12 LEU 30 2HD1 LEU 30 -4.333 -2.046 -17.149 210 HD13 LEU 30 3HD1 LEU 30 -3.145 -0.852 -17.673 211 HD21 LEU 30 3HD2 LEU 30 -1.114 -0.757 -14.789 212 HD22 LEU 30 1HD2 LEU 30 -2.309 0.515 -15.042 213 HD23 LEU 30 2HD2 LEU 30 -1.439 -0.162 -16.418 Start of MODEL 10 1 H1 CYS 1 H CYS 1 1.619 0.429 0.882 2 HA CYS 1 HA CYS 1 2.728 0.810 -1.085 3 HB2 CYS 1 HB2 CYS 1 3.095 -1.350 -2.400 4 HB3 CYS 1 HB3 CYS 1 3.592 -1.356 -0.710 5 H ILE 2 H ILE 2 0.811 2.174 -1.714 6 HA ILE 2 HA ILE 2 -0.555 2.965 -3.354 7 HB ILE 2 HB ILE 2 0.531 0.679 -5.003 8 HG12 ILE 2 2HG1 ILE 2 2.339 2.094 -4.197 9 HG13 ILE 2 3HG1 ILE 2 2.082 2.385 -5.914 10 HG21 ILE 2 1HG2 ILE 2 -1.453 1.521 -6.016 11 HG22 ILE 2 2HG2 ILE 2 -0.951 3.190 -5.750 12 HG23 ILE 2 3HG2 ILE 2 -0.085 2.183 -6.910 13 HD11 ILE 2 3HD1 ILE 2 2.250 4.526 -5.219 14 HD12 ILE 2 1HD1 ILE 2 0.522 4.304 -4.949 15 HD13 ILE 2 2HD1 ILE 2 1.650 4.168 -3.600 16 H ALA 3 H ALA 3 -2.646 2.752 -2.915 17 HA ALA 3 HA ALA 3 -3.962 0.359 -2.302 18 HB1 ALA 3 1HB ALA 3 -4.605 2.939 -2.025 19 HB2 ALA 3 HB2 ALA 3 -5.583 2.554 -3.442 20 HB3 ALA 3 HB3 ALA 3 -5.796 1.640 -1.949 21 H HIS 4 H HIS 4 -5.759 -0.637 -3.496 22 HA HIS 4 HA HIS 4 -5.016 -1.663 -5.941 23 HB2 HIS 4 HB2 HIS 4 -7.487 -1.604 -4.349 24 HB3 HIS 4 HB3 HIS 4 -7.746 -1.838 -6.076 25 HD1 HIS 4 HD1 HIS 4 -5.827 -3.397 -3.203 26 HD2 HIS 4 HD2 HIS 4 -7.316 -4.382 -6.954 27 HE1 HIS 4 HE1 HIS 4 -5.462 -5.874 -3.442 28 H TYR 5 H TYR 5 -4.823 -0.792 -7.887 29 HA TYR 5 HA TYR 5 -5.085 0.566 -9.691 30 HB2 TYR 5 HB2 TYR 5 -7.840 1.267 -8.713 31 HB3 TYR 5 HB3 TYR 5 -7.268 1.101 -10.370 32 HD1 TYR 5 HD1 TYR 5 -5.898 -1.531 -10.204 33 HD2 TYR 5 HD2 TYR 5 -9.623 -0.243 -8.602 34 HE1 TYR 5 HE1 TYR 5 -6.715 -3.850 -10.256 35 HE2 TYR 5 HE2 TYR 5 -10.451 -2.558 -8.649 36 HH TYR 5 HH TYR 5 -9.964 -4.662 -9.888 37 H GLY 6 H GLY 6 -3.958 1.660 -7.294 38 HA2 GLY 6 2HA GLY 6 -4.952 4.424 -7.281 39 HA3 GLY 6 3HA GLY 6 -3.880 3.713 -6.083 40 H LYS 7 H LYS 7 -3.383 6.186 -7.270 41 HA LYS 7 HA LYS 7 -1.588 5.977 -9.468 42 HB2 LYS 7 HB2 LYS 7 -2.848 8.047 -8.098 43 HB3 LYS 7 HB3 LYS 7 -1.139 8.292 -7.765 44 HG2 LYS 7 2HG LYS 7 -1.851 7.738 -10.573 45 HG3 LYS 7 3HG LYS 7 -2.387 9.285 -9.915 46 HD2 LYS 7 2HD LYS 7 0.448 8.270 -9.751 47 HD3 LYS 7 3HD LYS 7 -0.144 9.349 -11.017 48 HE2 LYS 7 2HE LYS 7 -0.943 10.802 -8.999 49 HE3 LYS 7 3HE LYS 7 0.260 9.876 -8.103 50 HZ1 LYS 7 3HZ LYS 7 1.222 11.904 -8.942 51 HZ2 LYS 7 1HZ LYS 7 0.764 11.520 -10.525 52 HZ3 LYS 7 2HZ LYS 7 1.927 10.584 -9.730 53 H CYS 8 H CYS 8 0.679 6.205 -9.487 54 HA CYS 8 HA CYS 8 1.991 5.496 -6.945 55 HB2 CYS 8 HB2 CYS 8 3.748 4.464 -8.591 56 HB3 CYS 8 HB3 CYS 8 2.286 3.567 -8.193 57 H ASP 9 H ASP 9 4.266 6.157 -6.782 58 HA ASP 9 HA ASP 9 4.581 8.900 -7.449 59 HB2 ASP 9 HB2 ASP 9 6.434 6.852 -6.238 60 HB3 ASP 9 HB3 ASP 9 6.937 8.514 -6.535 61 H GLY 10 H GLY 10 5.795 5.899 -8.817 62 HA2 GLY 10 2HA GLY 10 6.192 5.969 -11.253 63 HA3 GLY 10 3HA GLY 10 7.033 7.488 -10.980 64 H ILE 11 H ILE 11 8.931 7.314 -9.420 65 HA ILE 11 HA ILE 11 10.825 5.548 -10.477 66 HB ILE 11 HB ILE 11 10.968 7.753 -8.890 67 HG12 ILE 11 2HG1 ILE 11 12.705 7.031 -10.419 68 HG13 ILE 11 3HG1 ILE 11 13.416 7.316 -8.835 69 HG21 ILE 11 1HG2 ILE 11 10.398 6.309 -6.920 70 HG22 ILE 11 2HG2 ILE 11 11.943 5.494 -7.157 71 HG23 ILE 11 3HG2 ILE 11 11.904 7.214 -6.770 72 HD11 ILE 11 3HD1 ILE 11 12.723 4.645 -10.032 73 HD12 ILE 11 1HD1 ILE 11 14.338 5.320 -9.814 74 HD13 ILE 11 2HD1 ILE 11 13.361 4.896 -8.407 75 H ILE 12 H ILE 12 8.559 5.170 -7.885 76 HA ILE 12 HA ILE 12 9.902 2.813 -6.831 77 HB ILE 12 HB ILE 12 7.212 3.904 -6.015 78 HG12 ILE 12 2HG1 ILE 12 9.950 4.548 -4.898 79 HG13 ILE 12 3HG1 ILE 12 8.903 5.659 -5.776 80 HG21 ILE 12 1HG2 ILE 12 7.152 2.205 -4.591 81 HG22 ILE 12 2HG2 ILE 12 8.632 1.578 -5.314 82 HG23 ILE 12 3HG2 ILE 12 8.720 2.665 -3.928 83 HD11 ILE 12 3HD1 ILE 12 8.808 4.777 -2.976 84 HD12 ILE 12 1HD1 ILE 12 8.332 6.309 -3.707 85 HD13 ILE 12 2HD1 ILE 12 7.250 4.918 -3.789 86 H ASN 13 H ASN 13 9.752 1.151 -8.247 87 HA ASN 13 HA ASN 13 7.242 0.574 -9.587 88 HB2 ASN 13 HB2 ASN 13 9.949 -0.771 -9.680 89 HB3 ASN 13 HB3 ASN 13 8.553 -1.310 -10.609 90 HD21 ASN 13 1HD2 ASN 13 10.532 1.557 -9.987 91 HD22 ASN 13 2HD2 ASN 13 10.435 2.186 -11.593 92 H GLN 14 H GLN 14 8.082 0.157 -6.563 93 HA GLN 14 HA GLN 14 7.567 -2.654 -6.197 94 HB2 GLN 14 HB2 GLN 14 7.899 -0.350 -4.281 95 HB3 GLN 14 HB3 GLN 14 7.515 -1.980 -3.744 96 HG2 GLN 14 2HG GLN 14 9.769 -2.045 -3.533 97 HG3 GLN 14 3HG GLN 14 9.628 -2.579 -5.207 98 HE21 GLN 14 1HE2 GLN 14 10.574 -1.418 -6.766 99 HE22 GLN 14 2HE2 GLN 14 11.382 0.090 -6.524 100 H CYS 15 H CYS 15 5.493 -2.420 -7.468 101 HA CYS 15 HA CYS 15 3.282 -1.440 -5.803 102 HB2 CYS 15 HB2 CYS 15 3.640 -0.800 -8.311 103 HB3 CYS 15 HB3 CYS 15 2.956 -2.391 -8.630 104 H CYS 16 H CYS 16 2.650 -2.993 -4.431 105 HA CYS 16 HA CYS 16 2.902 -5.738 -4.753 106 HB2 CYS 16 HB2 CYS 16 0.729 -4.333 -3.189 107 HB3 CYS 16 HB3 CYS 16 1.334 -5.964 -2.920 108 H ASP 17 H ASP 17 -0.164 -3.928 -4.997 109 HA ASP 17 HA ASP 17 -0.974 -5.744 -7.162 110 HB2 ASP 17 HB2 ASP 17 -3.359 -5.329 -5.990 111 HB3 ASP 17 HB3 ASP 17 -2.326 -6.702 -5.601 112 HA PRO 18 HA PRO 18 -3.368 -5.912 -7.881 113 HB2 PRO 18 HB2 PRO 18 -3.909 -5.774 -10.538 114 HB3 PRO 18 HB3 PRO 18 -4.982 -5.105 -9.303 115 HG2 PRO 18 2HG PRO 18 -2.962 -3.708 -11.015 116 HG3 PRO 18 3HG PRO 18 -4.608 -3.203 -10.587 117 HD2 PRO 18 2HD PRO 18 -2.412 -2.209 -9.354 118 HD3 PRO 18 3HD PRO 18 -3.964 -2.418 -8.518 119 H TRP 19 H TRP 19 -1.309 -4.492 -10.429 120 HA TRP 19 HA TRP 19 0.330 -6.936 -10.336 121 HB2 TRP 19 HB2 TRP 19 -0.568 -5.402 -12.781 122 HB3 TRP 19 HB3 TRP 19 0.704 -6.620 -12.806 123 HD1 TRP 19 HD1 TRP 19 -3.058 -6.235 -12.737 124 HE1 TRP 19 HE1 TRP 19 -4.153 -8.553 -12.964 125 HE3 TRP 19 HE3 TRP 19 1.103 -9.155 -12.190 126 HZ2 TRP 19 HZ2 TRP 19 -3.358 -11.261 -12.917 127 HZ3 TRP 19 HZ3 TRP 19 0.849 -11.600 -12.293 128 HH2 TRP 19 HH2 TRP 19 -1.336 -12.630 -12.648 129 H LEU 20 H LEU 20 0.876 -4.245 -12.494 130 HA LEU 20 HA LEU 20 3.094 -3.328 -10.795 131 HB2 LEU 20 HB2 LEU 20 4.250 -2.906 -13.095 132 HB3 LEU 20 HB3 LEU 20 4.319 -4.495 -12.335 133 HG LEU 20 HG LEU 20 2.504 -5.257 -13.817 134 HD11 LEU 20 1HD1 LEU 20 1.196 -3.604 -14.591 135 HD12 LEU 20 2HD1 LEU 20 2.384 -3.526 -15.892 136 HD13 LEU 20 3HD1 LEU 20 2.490 -2.407 -14.533 137 HD21 LEU 20 3HD2 LEU 20 3.832 -5.327 -15.874 138 HD22 LEU 20 1HD2 LEU 20 4.825 -5.633 -14.449 139 HD23 LEU 20 2HD2 LEU 20 4.880 -4.058 -15.240 140 H CYS 21 H CYS 21 3.859 -1.147 -11.329 141 HA CYS 21 HA CYS 21 1.603 0.577 -11.967 142 HB2 CYS 21 HB2 CYS 21 2.690 1.307 -10.028 143 HB3 CYS 21 HB3 CYS 21 4.290 1.007 -10.698 144 H THR 22 H THR 22 1.299 1.347 -13.939 145 HA THR 22 HA THR 22 3.616 2.061 -15.581 146 HB THR 22 HB THR 22 1.611 -0.021 -16.231 147 HG1 THR 22 HG1 THR 22 3.973 -0.273 -15.935 148 HG21 THR 22 3HG2 THR 22 2.541 2.037 -18.227 149 HG22 THR 22 1HG2 THR 22 0.884 1.578 -17.839 150 HG23 THR 22 2HG2 THR 22 1.936 0.447 -18.689 151 HA PRO 23 HA PRO 23 4.044 2.970 -17.491 152 HB2 PRO 23 HB2 PRO 23 4.996 5.501 -17.735 153 HB3 PRO 23 HB3 PRO 23 3.928 4.757 -18.931 154 HG2 PRO 23 2HG PRO 23 3.261 6.662 -16.721 155 HG3 PRO 23 3HG PRO 23 2.684 6.648 -18.398 156 HD2 PRO 23 2HD PRO 23 1.205 5.693 -16.340 157 HD3 PRO 23 3HD PRO 23 1.117 5.011 -17.977 158 HA PRO 24 HA PRO 24 6.653 3.226 -13.961 159 HB2 PRO 24 HB2 PRO 24 9.099 3.707 -15.035 160 HB3 PRO 24 HB3 PRO 24 8.276 2.149 -15.179 161 HG2 PRO 24 2HG PRO 24 8.457 4.387 -17.160 162 HG3 PRO 24 3HG PRO 24 8.612 2.641 -17.427 163 HD2 PRO 24 2HD PRO 24 6.336 4.002 -17.973 164 HD3 PRO 24 3HD PRO 24 6.331 2.312 -17.430 165 H ILE 25 H ILE 25 6.158 5.949 -15.909 166 HA ILE 25 HA ILE 25 7.535 7.685 -13.965 167 HB ILE 25 HB ILE 25 6.799 8.331 -16.822 168 HG12 ILE 25 2HG1 ILE 25 9.549 7.939 -15.631 169 HG13 ILE 25 3HG1 ILE 25 8.678 6.677 -16.496 170 HG21 ILE 25 1HG2 ILE 25 8.320 10.316 -16.357 171 HG22 ILE 25 2HG2 ILE 25 6.723 10.344 -15.610 172 HG23 ILE 25 3HG2 ILE 25 8.139 9.915 -14.650 173 HD11 ILE 25 3HD1 ILE 25 10.302 8.767 -17.531 174 HD12 ILE 25 1HD1 ILE 25 9.511 7.446 -18.389 175 HD13 ILE 25 2HD1 ILE 25 8.657 8.969 -18.135 176 H ILE 26 H ILE 26 5.655 7.519 -12.585 177 HA ILE 26 HA ILE 26 3.733 8.335 -11.679 178 HB ILE 26 HB ILE 26 4.008 10.462 -13.806 179 HG12 ILE 26 2HG1 ILE 26 4.788 11.715 -11.606 180 HG13 ILE 26 3HG1 ILE 26 5.197 10.081 -11.092 181 HG21 ILE 26 1HG2 ILE 26 1.940 11.002 -13.136 182 HG22 ILE 26 2HG2 ILE 26 2.041 9.994 -11.693 183 HG23 ILE 26 3HG2 ILE 26 2.736 11.614 -11.687 184 HD11 ILE 26 3HD1 ILE 26 6.879 9.878 -12.613 185 HD12 ILE 26 1HD1 ILE 26 6.133 10.993 -13.756 186 HD13 ILE 26 2HD1 ILE 26 6.939 11.615 -12.315 187 H GLY 27 H GLY 27 2.203 6.822 -12.064 188 HA2 GLY 27 2HA GLY 27 0.273 7.382 -14.141 189 HA3 GLY 27 3HA GLY 27 1.144 5.872 -14.364 190 H PHE 28 H PHE 28 -0.604 4.529 -14.070 191 HA PHE 28 HA PHE 28 -1.636 4.419 -11.318 192 HB2 PHE 28 HB2 PHE 28 -3.228 4.027 -13.861 193 HB3 PHE 28 HB3 PHE 28 -3.833 3.700 -12.240 194 HD1 PHE 28 HD2 PHE 28 -4.087 5.587 -10.627 195 HD2 PHE 28 HD1 PHE 28 -3.208 6.207 -14.746 196 HE1 PHE 28 HE2 PHE 28 -4.812 7.929 -10.426 197 HE2 PHE 28 HE1 PHE 28 -3.931 8.551 -14.551 198 HZ PHE 28 HZ PHE 28 -4.735 9.414 -12.389 199 H CYS 29 H CYS 29 -1.749 2.427 -10.407 200 HA CYS 29 HA CYS 29 -0.342 0.292 -11.711 201 HB2 CYS 29 HB2 CYS 29 -0.557 0.996 -9.132 202 HB3 CYS 29 HB3 CYS 29 -1.833 -0.216 -9.191 203 H LEU 30 H LEU 30 -1.157 -1.382 -12.800 204 HA LEU 30 HA LEU 30 -3.898 -2.241 -12.370 205 HB2 LEU 30 HB2 LEU 30 -4.683 -1.896 -14.527 206 HB3 LEU 30 HB3 LEU 30 -3.823 -0.404 -14.150 207 HG LEU 30 HG LEU 30 -2.706 -2.655 -15.820 208 HD11 LEU 30 1HD1 LEU 30 -4.218 -0.177 -16.528 209 HD12 LEU 30 2HD1 LEU 30 -4.368 -1.809 -17.180 210 HD13 LEU 30 3HD1 LEU 30 -2.986 -0.807 -17.622 211 HD21 LEU 30 3HD2 LEU 30 -1.715 0.109 -15.152 212 HD22 LEU 30 1HD2 LEU 30 -1.067 -0.870 -16.468 213 HD23 LEU 30 2HD2 LEU 30 -0.935 -1.435 -14.803 Start of MODEL 11 1 H1 CYS 1 H CYS 1 1.932 -0.145 0.824 2 HA CYS 1 HA CYS 1 2.952 0.687 -1.211 3 HB2 CYS 1 HB2 CYS 1 3.248 -1.501 -2.494 4 HB3 CYS 1 HB3 CYS 1 3.729 -1.507 -0.800 5 H ILE 2 H ILE 2 1.072 2.106 -1.855 6 HA ILE 2 HA ILE 2 -0.266 2.923 -3.505 7 HB ILE 2 HB ILE 2 0.765 0.604 -5.143 8 HG12 ILE 2 2HG1 ILE 2 2.577 2.026 -4.251 9 HG13 ILE 2 3HG1 ILE 2 2.430 2.169 -5.999 10 HG21 ILE 2 1HG2 ILE 2 -0.678 3.141 -5.865 11 HG22 ILE 2 2HG2 ILE 2 0.241 2.200 -7.039 12 HG23 ILE 2 3HG2 ILE 2 -1.144 1.477 -6.220 13 HD11 ILE 2 3HD1 ILE 2 2.332 4.360 -5.757 14 HD12 ILE 2 1HD1 ILE 2 0.797 4.170 -4.911 15 HD13 ILE 2 2HD1 ILE 2 2.307 4.203 -4.001 16 H ALA 3 H ALA 3 -2.361 2.757 -3.052 17 HA ALA 3 HA ALA 3 -3.737 0.394 -2.459 18 HB1 ALA 3 1HB ALA 3 -5.357 2.576 -3.581 19 HB2 ALA 3 HB2 ALA 3 -5.492 1.736 -2.035 20 HB3 ALA 3 HB3 ALA 3 -4.309 3.028 -2.236 21 H HIS 4 H HIS 4 -5.547 -0.561 -3.659 22 HA HIS 4 HA HIS 4 -4.826 -1.579 -6.115 23 HB2 HIS 4 HB2 HIS 4 -7.276 -1.509 -4.503 24 HB3 HIS 4 HB3 HIS 4 -7.571 -1.683 -6.230 25 HD1 HIS 4 HD1 HIS 4 -5.578 -3.362 -3.471 26 HD2 HIS 4 HD2 HIS 4 -7.275 -4.219 -7.165 27 HE1 HIS 4 HE1 HIS 4 -5.289 -5.841 -3.784 28 H TYR 5 H TYR 5 -4.618 -0.691 -8.051 29 HA TYR 5 HA TYR 5 -4.859 0.689 -9.842 30 HB2 TYR 5 HB2 TYR 5 -7.605 1.417 -8.857 31 HB3 TYR 5 HB3 TYR 5 -7.034 1.265 -10.515 32 HD1 TYR 5 HD1 TYR 5 -5.694 -1.389 -10.372 33 HD2 TYR 5 HD2 TYR 5 -9.411 -0.069 -8.777 34 HE1 TYR 5 HE1 TYR 5 -6.542 -3.696 -10.455 35 HE2 TYR 5 HE2 TYR 5 -10.269 -2.373 -8.854 36 HH TYR 5 HH TYR 5 -8.793 -4.887 -8.854 37 H GLY 6 H GLY 6 -3.707 1.745 -7.447 38 HA2 GLY 6 2HA GLY 6 -4.688 4.504 -7.334 39 HA3 GLY 6 3HA GLY 6 -3.533 3.772 -6.230 40 H LYS 7 H LYS 7 -3.042 6.255 -7.262 41 HA LYS 7 HA LYS 7 -1.470 6.194 -9.633 42 HB2 LYS 7 HB2 LYS 7 -2.472 8.163 -7.876 43 HB3 LYS 7 HB3 LYS 7 -0.724 8.357 -7.889 44 HG2 LYS 7 2HG LYS 7 -1.859 7.990 -10.547 45 HG3 LYS 7 3HG LYS 7 -2.469 9.419 -9.710 46 HD2 LYS 7 2HD LYS 7 0.454 8.743 -10.026 47 HD3 LYS 7 3HD LYS 7 -0.435 9.845 -11.080 48 HE2 LYS 7 2HE LYS 7 -1.065 11.029 -8.847 49 HE3 LYS 7 3HE LYS 7 0.336 10.170 -8.209 50 HZ1 LYS 7 3HZ LYS 7 1.730 11.221 -9.826 51 HZ2 LYS 7 1HZ LYS 7 0.850 12.424 -9.026 52 HZ3 LYS 7 2HZ LYS 7 0.404 11.947 -10.586 53 H CYS 8 H CYS 8 0.802 6.424 -9.835 54 HA CYS 8 HA CYS 8 2.311 5.395 -7.521 55 HB2 CYS 8 HB2 CYS 8 2.068 4.345 -10.159 56 HB3 CYS 8 HB3 CYS 8 3.723 4.906 -9.951 57 H ASP 9 H ASP 9 4.409 6.197 -7.178 58 HA ASP 9 HA ASP 9 4.743 8.950 -7.880 59 HB2 ASP 9 HB2 ASP 9 6.358 6.980 -6.282 60 HB3 ASP 9 HB3 ASP 9 6.998 8.576 -6.664 61 H GLY 10 H GLY 10 6.157 5.907 -8.920 62 HA2 GLY 10 2HA GLY 10 6.869 5.906 -11.299 63 HA3 GLY 10 3HA GLY 10 7.705 7.410 -10.941 64 H ILE 11 H ILE 11 9.360 7.230 -9.130 65 HA ILE 11 HA ILE 11 11.332 5.388 -9.864 66 HB ILE 11 HB ILE 11 11.310 7.630 -8.321 67 HG12 ILE 11 2HG1 ILE 11 13.222 6.828 -9.579 68 HG13 ILE 11 3HG1 ILE 11 13.714 7.139 -7.918 69 HG21 ILE 11 1HG2 ILE 11 11.929 7.120 -6.081 70 HG22 ILE 11 2HG2 ILE 11 10.434 6.250 -6.420 71 HG23 ILE 11 3HG2 ILE 11 11.974 5.390 -6.423 72 HD11 ILE 11 3HD1 ILE 11 14.710 5.098 -8.719 73 HD12 ILE 11 1HD1 ILE 11 13.545 4.736 -7.445 74 HD13 ILE 11 2HD1 ILE 11 13.122 4.452 -9.134 75 H ILE 12 H ILE 12 8.708 5.133 -7.620 76 HA ILE 12 HA ILE 12 9.823 2.734 -6.385 77 HB ILE 12 HB ILE 12 7.126 3.951 -5.817 78 HG12 ILE 12 2HG1 ILE 12 9.802 4.610 -4.570 79 HG13 ILE 12 3HG1 ILE 12 8.778 5.702 -5.496 80 HG21 ILE 12 1HG2 ILE 12 8.847 2.466 -3.878 81 HG22 ILE 12 2HG2 ILE 12 7.095 2.658 -3.903 82 HG23 ILE 12 3HG2 ILE 12 7.881 1.583 -5.059 83 HD11 ILE 12 3HD1 ILE 12 8.290 6.348 -3.364 84 HD12 ILE 12 1HD1 ILE 12 7.031 5.143 -3.631 85 HD13 ILE 12 2HD1 ILE 12 8.474 4.721 -2.709 86 H ASN 13 H ASN 13 9.738 1.196 -7.999 87 HA ASN 13 HA ASN 13 7.233 0.698 -9.384 88 HB2 ASN 13 HB2 ASN 13 9.945 -0.631 -9.556 89 HB3 ASN 13 HB3 ASN 13 8.552 -1.111 -10.521 90 HD21 ASN 13 1HD2 ASN 13 10.552 1.693 -9.722 91 HD22 ASN 13 2HD2 ASN 13 10.447 2.431 -11.281 92 H GLN 14 H GLN 14 8.075 0.097 -6.390 93 HA GLN 14 HA GLN 14 7.564 -2.734 -6.204 94 HB2 GLN 14 HB2 GLN 14 7.933 -0.551 -4.161 95 HB3 GLN 14 HB3 GLN 14 7.501 -2.194 -3.705 96 HG2 GLN 14 2HG GLN 14 9.751 -2.338 -3.498 97 HG3 GLN 14 3HG GLN 14 9.599 -2.778 -5.198 98 HE21 GLN 14 1HE2 GLN 14 10.683 -1.629 -6.651 99 HE22 GLN 14 2HE2 GLN 14 11.495 -0.136 -6.344 100 H CYS 15 H CYS 15 5.484 -2.413 -7.450 101 HA CYS 15 HA CYS 15 3.279 -1.512 -5.739 102 HB2 CYS 15 HB2 CYS 15 3.468 -0.652 -8.092 103 HB3 CYS 15 HB3 CYS 15 3.177 -2.294 -8.658 104 H CYS 16 H CYS 16 2.656 -3.102 -4.407 105 HA CYS 16 HA CYS 16 2.908 -5.837 -4.801 106 HB2 CYS 16 HB2 CYS 16 0.735 -4.474 -3.200 107 HB3 CYS 16 HB3 CYS 16 1.338 -6.112 -2.975 108 H ASP 17 H ASP 17 -0.157 -4.022 -5.003 109 HA ASP 17 HA ASP 17 -0.973 -5.804 -7.196 110 HB2 ASP 17 HB2 ASP 17 -3.359 -5.365 -6.035 111 HB3 ASP 17 HB3 ASP 17 -2.345 -6.752 -5.646 112 HA PRO 18 HA PRO 18 -3.363 -5.936 -7.932 113 HB2 PRO 18 HB2 PRO 18 -3.884 -5.775 -10.591 114 HB3 PRO 18 HB3 PRO 18 -4.957 -5.100 -9.360 115 HG2 PRO 18 2HG PRO 18 -2.908 -3.719 -11.049 116 HG3 PRO 18 3HG PRO 18 -4.550 -3.196 -10.630 117 HD2 PRO 18 2HD PRO 18 -2.350 -2.236 -9.375 118 HD3 PRO 18 3HD PRO 18 -3.910 -2.431 -8.551 119 H TRP 19 H TRP 19 -1.270 -4.527 -10.459 120 HA TRP 19 HA TRP 19 0.348 -6.984 -10.359 121 HB2 TRP 19 HB2 TRP 19 -0.538 -5.463 -12.816 122 HB3 TRP 19 HB3 TRP 19 0.721 -6.694 -12.830 123 HD1 TRP 19 HD1 TRP 19 -3.036 -6.269 -12.768 124 HE1 TRP 19 HE1 TRP 19 -4.155 -8.578 -12.975 125 HE3 TRP 19 HE3 TRP 19 1.093 -9.227 -12.189 126 HZ2 TRP 19 HZ2 TRP 19 -3.389 -11.293 -12.902 127 HZ3 TRP 19 HZ3 TRP 19 0.814 -11.670 -12.270 128 HH2 TRP 19 HH2 TRP 19 -1.381 -12.680 -12.618 129 H LEU 20 H LEU 20 0.918 -4.327 -12.547 130 HA LEU 20 HA LEU 20 3.129 -3.391 -10.848 131 HB2 LEU 20 HB2 LEU 20 4.339 -3.032 -13.109 132 HB3 LEU 20 HB3 LEU 20 4.330 -4.631 -12.368 133 HG LEU 20 HG LEU 20 2.451 -5.243 -13.901 134 HD11 LEU 20 1HD1 LEU 20 2.836 -2.432 -14.690 135 HD12 LEU 20 2HD1 LEU 20 1.396 -3.447 -14.756 136 HD13 LEU 20 3HD1 LEU 20 2.628 -3.582 -16.011 137 HD21 LEU 20 3HD2 LEU 20 5.221 -4.610 -14.737 138 HD22 LEU 20 1HD2 LEU 20 4.067 -5.012 -16.009 139 HD23 LEU 20 2HD2 LEU 20 4.369 -6.155 -14.700 140 H CYS 21 H CYS 21 3.909 -1.225 -11.415 141 HA CYS 21 HA CYS 21 1.669 0.494 -12.127 142 HB2 CYS 21 HB2 CYS 21 4.231 0.834 -10.656 143 HB3 CYS 21 HB3 CYS 21 3.591 2.248 -11.487 144 H THR 22 H THR 22 1.450 1.422 -14.048 145 HA THR 22 HA THR 22 3.811 1.998 -15.670 146 HB THR 22 HB THR 22 1.668 0.063 -16.402 147 HG1 THR 22 HG1 THR 22 3.964 -0.423 -15.924 148 HG21 THR 22 3HG2 THR 22 2.229 0.468 -18.829 149 HG22 THR 22 1HG2 THR 22 2.953 1.995 -18.327 150 HG23 THR 22 2HG2 THR 22 1.232 1.707 -18.067 151 HA PRO 23 HA PRO 23 4.358 2.956 -17.488 152 HB2 PRO 23 HB2 PRO 23 5.401 5.459 -17.612 153 HB3 PRO 23 HB3 PRO 23 4.370 4.784 -18.879 154 HG2 PRO 23 2HG PRO 23 3.656 6.650 -16.649 155 HG3 PRO 23 3HG PRO 23 3.163 6.701 -18.352 156 HD2 PRO 23 2HD PRO 23 1.555 5.739 -16.397 157 HD3 PRO 23 3HD PRO 23 1.525 5.106 -18.055 158 HA PRO 24 HA PRO 24 6.821 3.044 -13.846 159 HB2 PRO 24 HB2 PRO 24 9.318 3.550 -14.782 160 HB3 PRO 24 HB3 PRO 24 8.492 2.008 -15.035 161 HG2 PRO 24 2HG PRO 24 8.783 4.330 -16.902 162 HG3 PRO 24 3HG PRO 24 8.937 2.596 -17.240 163 HD2 PRO 24 2HD PRO 24 6.699 4.001 -17.830 164 HD3 PRO 24 3HD PRO 24 6.656 2.289 -17.364 165 H ILE 25 H ILE 25 6.365 5.852 -15.644 166 HA ILE 25 HA ILE 25 7.968 7.540 -13.882 167 HB ILE 25 HB ILE 25 6.190 8.480 -16.124 168 HG12 ILE 25 2HG1 ILE 25 9.096 7.647 -16.269 169 HG13 ILE 25 3HG1 ILE 25 7.744 6.801 -17.014 170 HG21 ILE 25 1HG2 ILE 25 6.931 10.503 -15.592 171 HG22 ILE 25 2HG2 ILE 25 7.744 9.802 -14.194 172 HG23 ILE 25 3HG2 ILE 25 8.605 9.965 -15.724 173 HD11 ILE 25 3HD1 ILE 25 9.038 9.365 -17.790 174 HD12 ILE 25 1HD1 ILE 25 8.585 7.981 -18.785 175 HD13 ILE 25 2HD1 ILE 25 7.345 9.089 -18.197 176 H ILE 26 H ILE 26 4.651 7.839 -15.155 177 HA ILE 26 HA ILE 26 3.585 8.115 -12.475 178 HB ILE 26 HB ILE 26 3.671 10.415 -14.409 179 HG12 ILE 26 2HG1 ILE 26 4.003 11.428 -11.913 180 HG13 ILE 26 3HG1 ILE 26 4.666 9.813 -11.690 181 HG21 ILE 26 1HG2 ILE 26 2.045 11.461 -12.665 182 HG22 ILE 26 2HG2 ILE 26 1.409 10.454 -13.964 183 HG23 ILE 26 3HG2 ILE 26 1.607 9.783 -12.345 184 HD11 ILE 26 3HD1 ILE 26 6.544 10.392 -12.699 185 HD12 ILE 26 1HD1 ILE 26 5.666 10.968 -14.116 186 HD13 ILE 26 2HD1 ILE 26 5.946 12.050 -12.751 187 H GLY 27 H GLY 27 1.850 6.855 -12.509 188 HA2 GLY 27 2HA GLY 27 -0.288 7.299 -14.351 189 HA3 GLY 27 3HA GLY 27 0.575 5.812 -14.717 190 H PHE 28 H PHE 28 -1.014 4.376 -14.185 191 HA PHE 28 HA PHE 28 -1.704 4.249 -11.329 192 HB2 PHE 28 HB2 PHE 28 -3.585 3.692 -13.632 193 HB3 PHE 28 HB3 PHE 28 -3.963 3.477 -11.926 194 HD1 PHE 28 HD2 PHE 28 -3.844 5.549 -10.427 195 HD2 PHE 28 HD1 PHE 28 -3.975 5.725 -14.678 196 HE1 PHE 28 HE2 PHE 28 -4.614 7.882 -10.303 197 HE2 PHE 28 HE1 PHE 28 -4.744 8.059 -14.561 198 HZ PHE 28 HZ PHE 28 -5.065 9.140 -12.372 199 H CYS 29 H CYS 29 -1.733 2.233 -10.414 200 HA CYS 29 HA CYS 29 -0.281 0.181 -11.777 201 HB2 CYS 29 HB2 CYS 29 -0.402 0.796 -9.214 202 HB3 CYS 29 HB3 CYS 29 -1.748 -0.339 -9.222 203 H LEU 30 H LEU 30 -1.029 -1.484 -12.919 204 HA LEU 30 HA LEU 30 -3.773 -2.405 -12.520 205 HB2 LEU 30 HB2 LEU 30 -2.626 -1.504 -15.155 206 HB3 LEU 30 HB3 LEU 30 -4.086 -2.480 -15.007 207 HG LEU 30 HG LEU 30 -4.336 -0.140 -13.373 208 HD11 LEU 30 1HD1 LEU 30 -3.751 0.427 -16.274 209 HD12 LEU 30 2HD1 LEU 30 -2.664 0.799 -14.937 210 HD13 LEU 30 3HD1 LEU 30 -4.237 1.589 -15.039 211 HD21 LEU 30 3HD2 LEU 30 -6.029 -1.720 -14.588 212 HD22 LEU 30 1HD2 LEU 30 -5.820 -0.586 -15.922 213 HD23 LEU 30 2HD2 LEU 30 -6.408 -0.012 -14.361 Start of MODEL 12 1 H1 CYS 1 H CYS 1 1.489 0.967 1.285 2 HA CYS 1 HA CYS 1 2.572 0.455 -0.683 3 HB2 CYS 1 HB2 CYS 1 2.247 -1.701 0.617 4 HB3 CYS 1 HB3 CYS 1 0.909 -2.055 -0.471 5 H ILE 2 H ILE 2 0.595 2.133 -1.386 6 HA ILE 2 HA ILE 2 -0.618 2.856 -3.170 7 HB ILE 2 HB ILE 2 0.474 0.424 -4.590 8 HG12 ILE 2 2HG1 ILE 2 2.277 1.805 -3.664 9 HG13 ILE 2 3HG1 ILE 2 2.231 1.930 -5.419 10 HG21 ILE 2 1HG2 ILE 2 0.154 1.953 -6.598 11 HG22 ILE 2 2HG2 ILE 2 -1.302 1.273 -5.873 12 HG23 ILE 2 3HG2 ILE 2 -0.851 2.946 -5.542 13 HD11 ILE 2 3HD1 ILE 2 1.339 3.951 -3.391 14 HD12 ILE 2 1HD1 ILE 2 2.606 4.103 -4.608 15 HD13 ILE 2 2HD1 ILE 2 0.912 4.057 -5.099 16 H ALA 3 H ALA 3 -2.739 2.736 -2.825 17 HA ALA 3 HA ALA 3 -4.178 0.402 -2.232 18 HB1 ALA 3 1HB ALA 3 -5.523 2.760 -3.476 19 HB2 ALA 3 HB2 ALA 3 -6.057 1.733 -2.145 20 HB3 ALA 3 HB3 ALA 3 -4.775 2.916 -1.886 21 H HIS 4 H HIS 4 -5.926 -0.565 -3.502 22 HA HIS 4 HA HIS 4 -5.096 -1.636 -5.899 23 HB2 HIS 4 HB2 HIS 4 -7.623 -1.513 -4.413 24 HB3 HIS 4 HB3 HIS 4 -7.831 -1.722 -6.149 25 HD1 HIS 4 HD1 HIS 4 -6.057 -3.366 -3.231 26 HD2 HIS 4 HD2 HIS 4 -7.449 -4.270 -7.040 27 HE1 HIS 4 HE1 HIS 4 -5.759 -5.851 -3.484 28 H TYR 5 H TYR 5 -4.799 -0.802 -7.848 29 HA TYR 5 HA TYR 5 -4.947 0.537 -9.680 30 HB2 TYR 5 HB2 TYR 5 -7.713 1.336 -8.810 31 HB3 TYR 5 HB3 TYR 5 -7.085 1.153 -10.444 32 HD1 TYR 5 HD1 TYR 5 -5.784 -1.530 -10.171 33 HD2 TYR 5 HD2 TYR 5 -9.563 -0.109 -8.827 34 HE1 TYR 5 HE1 TYR 5 -6.670 -3.822 -10.256 35 HE2 TYR 5 HE2 TYR 5 -10.459 -2.398 -8.908 36 HH TYR 5 HH TYR 5 -9.110 -4.843 -10.542 37 H GLY 6 H GLY 6 -3.852 1.625 -7.281 38 HA2 GLY 6 2HA GLY 6 -4.794 4.394 -7.215 39 HA3 GLY 6 3HA GLY 6 -3.633 3.667 -6.114 40 H LYS 7 H LYS 7 -3.058 6.107 -7.083 41 HA LYS 7 HA LYS 7 -1.573 6.082 -9.508 42 HB2 LYS 7 HB2 LYS 7 -2.477 8.022 -7.721 43 HB3 LYS 7 HB3 LYS 7 -0.724 8.119 -7.619 44 HG2 LYS 7 2HG LYS 7 -1.648 7.938 -10.360 45 HG3 LYS 7 3HG LYS 7 -2.331 9.325 -9.509 46 HD2 LYS 7 2HD LYS 7 0.607 8.648 -9.618 47 HD3 LYS 7 3HD LYS 7 -0.192 9.835 -10.651 48 HE2 LYS 7 2HE LYS 7 -1.003 10.762 -8.299 49 HE3 LYS 7 3HE LYS 7 0.472 9.960 -7.759 50 HZ1 LYS 7 3HZ LYS 7 0.262 12.072 -9.835 51 HZ2 LYS 7 1HZ LYS 7 1.685 11.234 -9.466 52 HZ3 LYS 7 2HZ LYS 7 0.961 12.224 -8.302 53 H CYS 8 H CYS 8 0.721 6.321 -9.750 54 HA CYS 8 HA CYS 8 2.241 5.019 -7.586 55 HB2 CYS 8 HB2 CYS 8 1.865 3.986 -10.049 56 HB3 CYS 8 HB3 CYS 8 3.312 4.943 -10.348 57 H ASP 9 H ASP 9 4.357 5.739 -7.171 58 HA ASP 9 HA ASP 9 4.730 8.545 -7.466 59 HB2 ASP 9 HB2 ASP 9 6.315 6.307 -6.263 60 HB3 ASP 9 HB3 ASP 9 7.088 7.870 -6.517 61 H GLY 10 H GLY 10 5.945 5.719 -9.137 62 HA2 GLY 10 2HA GLY 10 6.548 6.084 -11.495 63 HA3 GLY 10 3HA GLY 10 7.402 7.526 -10.966 64 H ILE 11 H ILE 11 9.294 7.223 -9.585 65 HA ILE 11 HA ILE 11 11.091 5.359 -10.642 66 HB ILE 11 HB ILE 11 11.352 7.566 -9.071 67 HG12 ILE 11 2HG1 ILE 11 13.036 6.754 -10.615 68 HG13 ILE 11 3HG1 ILE 11 13.777 7.017 -9.040 69 HG21 ILE 11 1HG2 ILE 11 12.284 6.997 -6.958 70 HG22 ILE 11 2HG2 ILE 11 10.737 6.160 -7.087 71 HG23 ILE 11 3HG2 ILE 11 12.242 5.275 -7.335 72 HD11 ILE 11 3HD1 ILE 11 12.947 4.372 -10.209 73 HD12 ILE 11 1HD1 ILE 11 14.594 4.974 -10.019 74 HD13 ILE 11 2HD1 ILE 11 13.619 4.606 -8.596 75 H ILE 12 H ILE 12 8.821 5.100 -8.043 76 HA ILE 12 HA ILE 12 10.065 2.702 -6.964 77 HB ILE 12 HB ILE 12 7.486 4.069 -6.187 78 HG12 ILE 12 2HG1 ILE 12 10.228 4.109 -4.907 79 HG13 ILE 12 3HG1 ILE 12 9.454 5.454 -5.739 80 HG21 ILE 12 1HG2 ILE 12 7.452 1.701 -5.639 81 HG22 ILE 12 2HG2 ILE 12 9.012 1.850 -4.831 82 HG23 ILE 12 3HG2 ILE 12 7.596 2.671 -4.174 83 HD11 ILE 12 3HD1 ILE 12 8.742 4.226 -3.103 84 HD12 ILE 12 1HD1 ILE 12 9.168 5.898 -3.468 85 HD13 ILE 12 2HD1 ILE 12 7.614 5.248 -3.992 86 H ASN 13 H ASN 13 9.855 1.021 -8.344 87 HA ASN 13 HA ASN 13 7.355 0.537 -9.728 88 HB2 ASN 13 HB2 ASN 13 9.993 -0.938 -9.705 89 HB3 ASN 13 HB3 ASN 13 8.595 -1.461 -10.640 90 HD21 ASN 13 1HD2 ASN 13 10.663 1.359 -10.093 91 HD22 ASN 13 2HD2 ASN 13 10.628 1.918 -11.728 92 H GLN 14 H GLN 14 8.066 0.167 -6.670 93 HA GLN 14 HA GLN 14 7.403 -2.600 -6.234 94 HB2 GLN 14 HB2 GLN 14 7.784 -0.241 -4.400 95 HB3 GLN 14 HB3 GLN 14 7.253 -1.809 -3.806 96 HG2 GLN 14 2HG GLN 14 9.486 -2.016 -3.472 97 HG3 GLN 14 3HG GLN 14 9.381 -2.641 -5.116 98 HE21 GLN 14 1HE2 GLN 14 10.254 -1.484 -6.790 99 HE22 GLN 14 2HE2 GLN 14 11.250 -0.091 -6.559 100 H CYS 15 H CYS 15 5.399 -2.323 -7.604 101 HA CYS 15 HA CYS 15 3.166 -1.085 -6.186 102 HB2 CYS 15 HB2 CYS 15 3.756 -1.162 -8.835 103 HB3 CYS 15 HB3 CYS 15 2.657 -2.532 -8.711 104 H CYS 16 H CYS 16 2.395 -2.327 -4.590 105 HA CYS 16 HA CYS 16 2.562 -5.059 -4.303 106 HB2 CYS 16 HB2 CYS 16 0.814 -2.942 -3.188 107 HB3 CYS 16 HB3 CYS 16 0.231 -4.595 -3.024 108 H ASP 17 H ASP 17 -0.535 -3.488 -5.080 109 HA ASP 17 HA ASP 17 -1.034 -5.573 -7.087 110 HB2 ASP 17 HB2 ASP 17 -3.507 -5.382 -6.123 111 HB3 ASP 17 HB3 ASP 17 -2.339 -6.521 -5.459 112 HA PRO 18 HA PRO 18 -3.290 -6.068 -7.977 113 HB2 PRO 18 HB2 PRO 18 -3.606 -6.181 -10.671 114 HB3 PRO 18 HB3 PRO 18 -4.855 -5.566 -9.583 115 HG2 PRO 18 2HG PRO 18 -2.869 -4.052 -11.233 116 HG3 PRO 18 3HG PRO 18 -4.594 -3.726 -10.980 117 HD2 PRO 18 2HD PRO 18 -2.647 -2.385 -9.658 118 HD3 PRO 18 3HD PRO 18 -4.232 -2.726 -8.935 119 H TRP 19 H TRP 19 -1.189 -4.579 -10.451 120 HA TRP 19 HA TRP 19 0.727 -6.768 -10.014 121 HB2 TRP 19 HB2 TRP 19 -0.158 -5.620 -12.667 122 HB3 TRP 19 HB3 TRP 19 1.245 -6.666 -12.469 123 HD1 TRP 19 HD1 TRP 19 -2.529 -6.747 -12.702 124 HE1 TRP 19 HE1 TRP 19 -3.325 -9.194 -12.742 125 HE3 TRP 19 HE3 TRP 19 1.884 -9.054 -11.546 126 HZ2 TRP 19 HZ2 TRP 19 -2.227 -11.763 -12.337 127 HZ3 TRP 19 HZ3 TRP 19 1.926 -11.509 -11.392 128 HH2 TRP 19 HH2 TRP 19 -0.088 -12.834 -11.779 129 H LEU 20 H LEU 20 1.065 -4.241 -12.404 130 HA LEU 20 HA LEU 20 3.021 -2.875 -10.684 131 HB2 LEU 20 HB2 LEU 20 4.219 -2.506 -13.002 132 HB3 LEU 20 HB3 LEU 20 4.525 -3.934 -12.016 133 HG LEU 20 HG LEU 20 2.949 -5.209 -13.423 134 HD11 LEU 20 1HD1 LEU 20 1.475 -3.519 -14.207 135 HD12 LEU 20 2HD1 LEU 20 2.308 -4.175 -15.616 136 HD13 LEU 20 3HD1 LEU 20 2.798 -2.618 -14.948 137 HD21 LEU 20 3HD2 LEU 20 5.392 -5.129 -13.885 138 HD22 LEU 20 1HD2 LEU 20 5.087 -3.839 -15.048 139 HD23 LEU 20 2HD2 LEU 20 4.407 -5.444 -15.314 140 H CYS 21 H CYS 21 3.518 -0.665 -11.378 141 HA CYS 21 HA CYS 21 1.113 0.638 -12.408 142 HB2 CYS 21 HB2 CYS 21 2.157 2.717 -11.526 143 HB3 CYS 21 HB3 CYS 21 1.927 1.483 -10.292 144 H THR 22 H THR 22 1.007 1.472 -14.383 145 HA THR 22 HA THR 22 3.490 2.208 -15.766 146 HB THR 22 HB THR 22 1.571 0.122 -16.580 147 HG1 THR 22 HG1 THR 22 3.912 -0.082 -16.161 148 HG21 THR 22 3HG2 THR 22 0.891 1.729 -18.209 149 HG22 THR 22 1HG2 THR 22 1.994 0.612 -19.012 150 HG23 THR 22 2HG2 THR 22 2.559 2.209 -18.520 151 HA PRO 23 HA PRO 23 4.082 3.058 -17.691 152 HB2 PRO 23 HB2 PRO 23 5.115 5.559 -17.911 153 HB3 PRO 23 HB3 PRO 23 4.115 4.819 -19.166 154 HG2 PRO 23 2HG PRO 23 3.344 6.784 -17.044 155 HG3 PRO 23 3HG PRO 23 2.888 6.751 -18.757 156 HD2 PRO 23 2HD PRO 23 1.242 5.874 -16.794 157 HD3 PRO 23 3HD PRO 23 1.252 5.163 -18.421 158 HA PRO 24 HA PRO 24 6.455 3.328 -13.999 159 HB2 PRO 24 HB2 PRO 24 8.975 3.778 -14.904 160 HB3 PRO 24 HB3 PRO 24 8.149 2.227 -15.094 161 HG2 PRO 24 2HG PRO 24 8.490 4.446 -17.074 162 HG3 PRO 24 3HG PRO 24 8.645 2.697 -17.316 163 HD2 PRO 24 2HD PRO 24 6.426 4.074 -18.029 164 HD3 PRO 24 3HD PRO 24 6.367 2.389 -17.475 165 H ILE 25 H ILE 25 6.035 6.038 -15.941 166 HA ILE 25 HA ILE 25 7.446 7.786 -14.041 167 HB ILE 25 HB ILE 25 6.403 8.555 -16.765 168 HG12 ILE 25 2HG1 ILE 25 9.233 7.823 -15.985 169 HG13 ILE 25 3HG1 ILE 25 8.148 6.787 -16.906 170 HG21 ILE 25 1HG2 ILE 25 6.784 10.602 -15.964 171 HG22 ILE 25 2HG2 ILE 25 7.649 9.980 -14.560 172 HG23 ILE 25 3HG2 ILE 25 8.498 10.209 -16.088 173 HD11 ILE 25 3HD1 ILE 25 8.993 7.712 -18.729 174 HD12 ILE 25 1HD1 ILE 25 8.143 9.191 -18.284 175 HD13 ILE 25 2HD1 ILE 25 9.821 8.957 -17.794 176 H ILE 26 H ILE 26 5.573 7.348 -12.590 177 HA ILE 26 HA ILE 26 3.700 8.073 -11.521 178 HB ILE 26 HB ILE 26 3.867 10.409 -13.428 179 HG12 ILE 26 2HG1 ILE 26 4.777 11.425 -11.151 180 HG13 ILE 26 3HG1 ILE 26 5.228 9.750 -10.854 181 HG21 ILE 26 1HG2 ILE 26 2.632 11.548 -11.506 182 HG22 ILE 26 2HG2 ILE 26 1.707 10.444 -12.523 183 HG23 ILE 26 3HG2 ILE 26 2.269 9.920 -10.935 184 HD11 ILE 26 3HD1 ILE 26 6.980 11.247 -11.893 185 HD12 ILE 26 1HD1 ILE 26 6.679 9.706 -12.694 186 HD13 ILE 26 2HD1 ILE 26 6.007 11.194 -13.363 187 H GLY 27 H GLY 27 2.214 6.536 -12.051 188 HA2 GLY 27 2HA GLY 27 0.224 7.311 -14.032 189 HA3 GLY 27 3HA GLY 27 1.041 5.782 -14.317 190 H PHE 28 H PHE 28 -0.697 4.446 -14.034 191 HA PHE 28 HA PHE 28 -1.746 4.303 -11.290 192 HB2 PHE 28 HB2 PHE 28 -3.337 3.993 -13.844 193 HB3 PHE 28 HB3 PHE 28 -3.952 3.641 -12.233 194 HD1 PHE 28 HD1 PHE 28 -3.890 5.573 -10.525 195 HD2 PHE 28 HD2 PHE 28 -3.567 6.114 -14.735 196 HE1 PHE 28 HE1 PHE 28 -4.576 7.923 -10.273 197 HE2 PHE 28 HE2 PHE 28 -4.251 8.464 -14.489 198 HZ PHE 28 HZ PHE 28 -4.756 9.372 -12.256 199 H CYS 29 H CYS 29 -1.947 2.287 -10.430 200 HA CYS 29 HA CYS 29 -0.534 0.161 -11.736 201 HB2 CYS 29 HB2 CYS 29 -0.947 0.816 -9.128 202 HB3 CYS 29 HB3 CYS 29 -2.117 -0.484 -9.330 203 H LEU 30 H LEU 30 -1.329 -1.452 -12.923 204 HA LEU 30 HA LEU 30 -4.085 -2.307 -12.621 205 HB2 LEU 30 HB2 LEU 30 -4.690 -1.988 -14.918 206 HB3 LEU 30 HB3 LEU 30 -4.182 -0.444 -14.236 207 HG LEU 30 HG LEU 30 -2.216 -2.081 -15.778 208 HD11 LEU 30 1HD1 LEU 30 -3.751 -0.098 -17.314 209 HD12 LEU 30 2HD1 LEU 30 -4.610 -1.587 -16.923 210 HD13 LEU 30 3HD1 LEU 30 -3.086 -1.656 -17.807 211 HD21 LEU 30 3HD2 LEU 30 -2.612 0.770 -15.003 212 HD22 LEU 30 1HD2 LEU 30 -1.695 0.394 -16.463 213 HD23 LEU 30 2HD2 LEU 30 -1.167 -0.237 -14.903 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.818 0.393 0.756 2 HA CYS 1 HA CYS 1 2.987 0.618 -1.185 3 HB2 CYS 1 HB2 CYS 1 3.266 -1.557 -2.495 4 HB3 CYS 1 HB3 CYS 1 3.780 -1.576 -0.812 5 H ILE 2 H ILE 2 1.099 2.041 -1.789 6 HA ILE 2 HA ILE 2 -0.267 2.870 -3.409 7 HB ILE 2 HB ILE 2 0.740 0.564 -5.080 8 HG12 ILE 2 2HG1 ILE 2 2.565 1.981 -4.216 9 HG13 ILE 2 3HG1 ILE 2 2.382 2.146 -5.959 10 HG21 ILE 2 1HG2 ILE 2 -0.719 3.102 -5.764 11 HG22 ILE 2 2HG2 ILE 2 0.177 2.165 -6.958 12 HG23 ILE 2 3HG2 ILE 2 -1.192 1.440 -6.116 13 HD11 ILE 2 3HD1 ILE 2 2.277 4.150 -3.921 14 HD12 ILE 2 1HD1 ILE 2 2.303 4.334 -5.674 15 HD13 ILE 2 2HD1 ILE 2 0.767 4.130 -4.831 16 H ALA 3 H ALA 3 -2.353 2.699 -2.919 17 HA ALA 3 HA ALA 3 -3.719 0.332 -2.323 18 HB1 ALA 3 1HB ALA 3 -5.781 1.707 -2.594 19 HB2 ALA 3 HB2 ALA 3 -4.564 2.427 -1.539 20 HB3 ALA 3 HB3 ALA 3 -4.764 3.022 -3.187 21 H HIS 4 H HIS 4 -5.557 -0.604 -3.500 22 HA HIS 4 HA HIS 4 -4.881 -1.610 -5.972 23 HB2 HIS 4 HB2 HIS 4 -7.287 -1.555 -4.309 24 HB3 HIS 4 HB3 HIS 4 -7.642 -1.665 -6.031 25 HD1 HIS 4 HD1 HIS 4 -5.563 -3.463 -3.411 26 HD2 HIS 4 HD2 HIS 4 -7.439 -4.175 -7.049 27 HE1 HIS 4 HE1 HIS 4 -5.330 -5.934 -3.815 28 H TYR 5 H TYR 5 -4.690 -0.711 -7.905 29 HA TYR 5 HA TYR 5 -4.945 0.682 -9.684 30 HB2 TYR 5 HB2 TYR 5 -7.672 1.427 -8.661 31 HB3 TYR 5 HB3 TYR 5 -7.123 1.273 -10.327 32 HD1 TYR 5 HD1 TYR 5 -5.810 -1.389 -10.221 33 HD2 TYR 5 HD2 TYR 5 -9.484 -0.046 -8.547 34 HE1 TYR 5 HE1 TYR 5 -6.679 -3.689 -10.298 35 HE2 TYR 5 HE2 TYR 5 -10.363 -2.342 -8.618 36 HH TYR 5 HH TYR 5 -9.905 -4.446 -9.966 37 H GLY 6 H GLY 6 -3.758 1.713 -7.293 38 HA2 GLY 6 2HA GLY 6 -4.718 4.477 -7.144 39 HA3 GLY 6 3HA GLY 6 -3.545 3.730 -6.070 40 H LYS 7 H LYS 7 -3.091 6.228 -7.124 41 HA LYS 7 HA LYS 7 -1.544 6.158 -9.510 42 HB2 LYS 7 HB2 LYS 7 -2.531 8.135 -7.745 43 HB3 LYS 7 HB3 LYS 7 -0.787 8.345 -7.810 44 HG2 LYS 7 2HG LYS 7 -1.967 7.934 -10.435 45 HG3 LYS 7 3HG LYS 7 -2.611 9.351 -9.600 46 HD2 LYS 7 2HD LYS 7 0.327 8.767 -9.963 47 HD3 LYS 7 3HD LYS 7 -0.616 9.836 -11.004 48 HE2 LYS 7 2HE LYS 7 -1.237 10.896 -8.630 49 HE3 LYS 7 3HE LYS 7 0.348 10.235 -8.231 50 HZ1 LYS 7 3HZ LYS 7 0.764 11.460 -10.612 51 HZ2 LYS 7 1HZ LYS 7 1.131 12.116 -9.096 52 HZ3 LYS 7 2HZ LYS 7 -0.331 12.504 -9.854 53 H CYS 8 H CYS 8 0.727 6.414 -9.734 54 HA CYS 8 HA CYS 8 2.264 5.401 -7.431 55 HB2 CYS 8 HB2 CYS 8 2.003 4.335 -10.051 56 HB3 CYS 8 HB3 CYS 8 3.648 4.945 -9.895 57 H ASP 9 H ASP 9 4.357 6.224 -7.102 58 HA ASP 9 HA ASP 9 4.655 8.984 -7.800 59 HB2 ASP 9 HB2 ASP 9 6.626 7.149 -6.421 60 HB3 ASP 9 HB3 ASP 9 6.675 8.910 -6.439 61 H GLY 10 H GLY 10 6.102 5.958 -8.849 62 HA2 GLY 10 2HA GLY 10 6.800 5.965 -11.232 63 HA3 GLY 10 3HA GLY 10 7.616 7.481 -10.881 64 H ILE 11 H ILE 11 9.271 7.319 -9.056 65 HA ILE 11 HA ILE 11 11.282 5.531 -9.807 66 HB ILE 11 HB ILE 11 11.209 7.745 -8.229 67 HG12 ILE 11 2HG1 ILE 11 13.147 6.998 -9.478 68 HG13 ILE 11 3HG1 ILE 11 13.618 7.287 -7.807 69 HG21 ILE 11 1HG2 ILE 11 10.339 6.321 -6.357 70 HG22 ILE 11 2HG2 ILE 11 11.894 5.489 -6.357 71 HG23 ILE 11 3HG2 ILE 11 11.816 7.212 -5.990 72 HD11 ILE 11 3HD1 ILE 11 13.090 4.616 -9.086 73 HD12 ILE 11 1HD1 ILE 11 14.657 5.278 -8.622 74 HD13 ILE 11 2HD1 ILE 11 13.471 4.868 -7.382 75 H ILE 12 H ILE 12 8.659 5.185 -7.571 76 HA ILE 12 HA ILE 12 9.817 2.754 -6.426 77 HB ILE 12 HB ILE 12 7.234 4.155 -5.724 78 HG12 ILE 12 2HG1 ILE 12 9.178 4.213 -3.634 79 HG13 ILE 12 3HG1 ILE 12 9.936 4.811 -5.106 80 HG21 ILE 12 1HG2 ILE 12 7.696 2.712 -3.577 81 HG22 ILE 12 2HG2 ILE 12 6.870 2.022 -4.974 82 HG23 ILE 12 3HG2 ILE 12 8.585 1.701 -4.717 83 HD11 ILE 12 3HD1 ILE 12 7.391 6.012 -4.932 84 HD12 ILE 12 1HD1 ILE 12 8.149 6.141 -3.344 85 HD13 ILE 12 2HD1 ILE 12 8.976 6.769 -4.770 86 H ASN 13 H ASN 13 9.653 1.265 -8.076 87 HA ASN 13 HA ASN 13 7.093 0.835 -9.381 88 HB2 ASN 13 HB2 ASN 13 9.768 -0.544 -9.696 89 HB3 ASN 13 HB3 ASN 13 8.335 -0.925 -10.645 90 HD21 ASN 13 1HD2 ASN 13 10.422 1.786 -9.744 91 HD22 ASN 13 2HD2 ASN 13 10.315 2.599 -11.265 92 H GLN 14 H GLN 14 8.027 0.138 -6.441 93 HA GLN 14 HA GLN 14 7.518 -2.694 -6.315 94 HB2 GLN 14 HB2 GLN 14 7.982 -0.553 -4.255 95 HB3 GLN 14 HB3 GLN 14 7.479 -2.172 -3.788 96 HG2 GLN 14 2HG GLN 14 9.736 -2.385 -3.609 97 HG3 GLN 14 3HG GLN 14 9.512 -2.888 -5.284 98 HE21 GLN 14 1HE2 GLN 14 10.727 -1.934 -6.752 99 HE22 GLN 14 2HE2 GLN 14 11.568 -0.438 -6.557 100 H CYS 15 H CYS 15 5.409 -2.350 -7.501 101 HA CYS 15 HA CYS 15 3.243 -1.495 -5.719 102 HB2 CYS 15 HB2 CYS 15 3.358 -0.575 -8.046 103 HB3 CYS 15 HB3 CYS 15 3.092 -2.205 -8.655 104 H CYS 16 H CYS 16 2.653 -3.114 -4.407 105 HA CYS 16 HA CYS 16 2.907 -5.838 -4.853 106 HB2 CYS 16 HB2 CYS 16 0.752 -4.509 -3.198 107 HB3 CYS 16 HB3 CYS 16 1.359 -6.151 -3.013 108 H ASP 17 H ASP 17 -0.174 -4.042 -4.976 109 HA ASP 17 HA ASP 17 -1.012 -5.800 -7.181 110 HB2 ASP 17 HB2 ASP 17 -2.317 -5.351 -4.562 111 HB3 ASP 17 HB3 ASP 17 -3.382 -5.329 -5.965 112 HA PRO 18 HA PRO 18 -3.421 -5.920 -7.877 113 HB2 PRO 18 HB2 PRO 18 -3.986 -5.746 -10.527 114 HB3 PRO 18 HB3 PRO 18 -5.035 -5.071 -9.275 115 HG2 PRO 18 2HG PRO 18 -3.007 -3.693 -10.993 116 HG3 PRO 18 3HG PRO 18 -4.639 -3.163 -10.544 117 HD2 PRO 18 2HD PRO 18 -2.414 -2.220 -9.324 118 HD3 PRO 18 3HD PRO 18 -3.961 -2.410 -8.474 119 H TRP 19 H TRP 19 -1.358 -4.509 -10.427 120 HA TRP 19 HA TRP 19 0.228 -6.989 -10.385 121 HB2 TRP 19 HB2 TRP 19 -0.648 -5.387 -12.794 122 HB3 TRP 19 HB3 TRP 19 0.600 -6.630 -12.850 123 HD1 TRP 19 HD1 TRP 19 -3.153 -6.171 -12.761 124 HE1 TRP 19 HE1 TRP 19 -4.295 -8.462 -13.027 125 HE3 TRP 19 HE3 TRP 19 0.949 -9.184 -12.279 126 HZ2 TRP 19 HZ2 TRP 19 -3.556 -11.186 -13.031 127 HZ3 TRP 19 HZ3 TRP 19 0.645 -11.621 -12.425 128 HH2 TRP 19 HH2 TRP 19 -1.561 -12.600 -12.793 129 H LEU 20 H LEU 20 0.848 -4.296 -12.510 130 HA LEU 20 HA LEU 20 3.068 -3.429 -10.787 131 HB2 LEU 20 HB2 LEU 20 4.293 -3.061 -13.045 132 HB3 LEU 20 HB3 LEU 20 4.266 -4.662 -12.309 133 HG LEU 20 HG LEU 20 2.420 -5.283 -13.850 134 HD11 LEU 20 1HD1 LEU 20 2.873 -2.482 -14.788 135 HD12 LEU 20 2HD1 LEU 20 1.358 -3.329 -14.475 136 HD13 LEU 20 3HD1 LEU 20 2.305 -3.718 -15.911 137 HD21 LEU 20 3HD2 LEU 20 3.839 -5.845 -15.573 138 HD22 LEU 20 1HD2 LEU 20 4.986 -5.504 -14.277 139 HD23 LEU 20 2HD2 LEU 20 4.685 -4.297 -15.527 140 H CYS 21 H CYS 21 3.888 -1.270 -11.312 141 HA CYS 21 HA CYS 21 1.688 0.505 -11.991 142 HB2 CYS 21 HB2 CYS 21 4.283 0.768 -10.567 143 HB3 CYS 21 HB3 CYS 21 3.674 2.203 -11.385 144 H THR 22 H THR 22 1.457 1.476 -13.891 145 HA THR 22 HA THR 22 3.789 2.016 -15.558 146 HB THR 22 HB THR 22 1.419 0.426 -16.561 147 HG1 THR 22 HG1 THR 22 4.011 -0.222 -15.761 148 HG21 THR 22 3HG2 THR 22 2.408 0.476 -18.718 149 HG22 THR 22 1HG2 THR 22 3.884 1.217 -18.102 150 HG23 THR 22 2HG2 THR 22 2.385 2.145 -18.150 151 HA PRO 23 HA PRO 23 4.327 2.990 -17.361 152 HB2 PRO 23 HB2 PRO 23 5.379 5.490 -17.471 153 HB3 PRO 23 HB3 PRO 23 4.337 4.830 -18.736 154 HG2 PRO 23 2HG PRO 23 3.646 6.679 -16.486 155 HG3 PRO 23 3HG PRO 23 3.141 6.747 -18.184 156 HD2 PRO 23 2HD PRO 23 1.542 5.775 -16.227 157 HD3 PRO 23 3HD PRO 23 1.499 5.156 -17.890 158 HA PRO 24 HA PRO 24 6.807 3.032 -13.730 159 HB2 PRO 24 HB2 PRO 24 9.305 3.512 -14.681 160 HB3 PRO 24 HB3 PRO 24 8.459 1.981 -14.933 161 HG2 PRO 24 2HG PRO 24 8.764 4.305 -16.795 162 HG3 PRO 24 3HG PRO 24 8.896 2.571 -17.139 163 HD2 PRO 24 2HD PRO 24 6.671 4.005 -17.709 164 HD3 PRO 24 3HD PRO 24 6.611 2.291 -17.249 165 H ILE 25 H ILE 25 6.431 5.854 -15.553 166 HA ILE 25 HA ILE 25 8.030 7.509 -13.758 167 HB ILE 25 HB ILE 25 6.327 8.464 -16.053 168 HG12 ILE 25 2HG1 ILE 25 9.237 7.634 -16.096 169 HG13 ILE 25 3HG1 ILE 25 7.912 6.772 -16.871 170 HG21 ILE 25 1HG2 ILE 25 7.762 9.808 -14.074 171 HG22 ILE 25 2HG2 ILE 25 8.755 9.920 -15.526 172 HG23 ILE 25 3HG2 ILE 25 7.087 10.492 -15.552 173 HD11 ILE 25 3HD1 ILE 25 7.543 9.068 -18.075 174 HD12 ILE 25 1HD1 ILE 25 9.237 9.313 -17.650 175 HD13 ILE 25 2HD1 ILE 25 8.767 7.930 -18.639 176 H ILE 26 H ILE 26 4.681 7.544 -14.996 177 HA ILE 26 HA ILE 26 3.598 7.956 -12.378 178 HB ILE 26 HB ILE 26 2.444 10.163 -13.432 179 HG12 ILE 26 2HG1 ILE 26 4.260 11.569 -14.375 180 HG13 ILE 26 3HG1 ILE 26 5.316 10.161 -14.386 181 HG21 ILE 26 1HG2 ILE 26 3.145 10.784 -11.419 182 HG22 ILE 26 2HG2 ILE 26 4.407 9.553 -11.426 183 HG23 ILE 26 3HG2 ILE 26 4.720 11.140 -12.129 184 HD11 ILE 26 3HD1 ILE 26 3.971 9.077 -16.023 185 HD12 ILE 26 1HD1 ILE 26 2.723 10.317 -15.895 186 HD13 ILE 26 2HD1 ILE 26 4.297 10.718 -16.583 187 H GLY 27 H GLY 27 1.589 7.155 -12.309 188 HA2 GLY 27 2HA GLY 27 -0.423 7.486 -14.197 189 HA3 GLY 27 3HA GLY 27 0.417 6.001 -14.620 190 H PHE 28 H PHE 28 -1.088 4.502 -14.104 191 HA PHE 28 HA PHE 28 -1.844 4.338 -11.267 192 HB2 PHE 28 HB2 PHE 28 -3.654 3.808 -13.633 193 HB3 PHE 28 HB3 PHE 28 -4.068 3.481 -11.953 194 HD1 PHE 28 HD1 PHE 28 -4.031 5.474 -10.334 195 HD2 PHE 28 HD2 PHE 28 -4.115 5.875 -14.571 196 HE1 PHE 28 HE1 PHE 28 -4.882 7.770 -10.097 197 HE2 PHE 28 HE2 PHE 28 -4.965 8.171 -14.340 198 HZ PHE 28 HZ PHE 28 -5.350 9.123 -12.101 199 H CYS 29 H CYS 29 -1.818 2.322 -10.366 200 HA CYS 29 HA CYS 29 -0.322 0.307 -11.746 201 HB2 CYS 29 HB2 CYS 29 -0.362 0.901 -9.202 202 HB3 CYS 29 HB3 CYS 29 -1.749 -0.182 -9.153 203 H LEU 30 H LEU 30 -1.047 -1.381 -12.871 204 HA LEU 30 HA LEU 30 -3.776 -2.342 -12.446 205 HB2 LEU 30 HB2 LEU 30 -3.074 -2.290 -15.265 206 HB3 LEU 30 HB3 LEU 30 -4.563 -1.798 -14.460 207 HG LEU 30 HG LEU 30 -3.181 0.329 -13.830 208 HD11 LEU 30 1HD1 LEU 30 -1.736 -0.585 -16.312 209 HD12 LEU 30 2HD1 LEU 30 -1.049 -0.573 -14.688 210 HD13 LEU 30 3HD1 LEU 30 -1.514 0.943 -15.460 211 HD21 LEU 30 3HD2 LEU 30 -3.809 0.373 -16.704 212 HD22 LEU 30 1HD2 LEU 30 -4.408 1.387 -15.391 213 HD23 LEU 30 2HD2 LEU 30 -5.101 -0.213 -15.654 Start of MODEL 14 1 H1 CYS 1 H CYS 1 2.301 0.052 0.703 2 HA CYS 1 HA CYS 1 3.247 0.569 -1.395 3 HB2 CYS 1 HB2 CYS 1 3.387 -1.653 -2.622 4 HB3 CYS 1 HB3 CYS 1 3.917 -1.662 -0.943 5 H ILE 2 H ILE 2 1.289 2.029 -1.887 6 HA ILE 2 HA ILE 2 -0.119 2.868 -3.466 7 HB ILE 2 HB ILE 2 0.874 0.596 -5.191 8 HG12 ILE 2 2HG1 ILE 2 2.731 1.962 -4.402 9 HG13 ILE 2 3HG1 ILE 2 2.440 2.278 -6.109 10 HG21 ILE 2 1HG2 ILE 2 -1.085 1.462 -6.178 11 HG22 ILE 2 2HG2 ILE 2 -0.632 3.124 -5.804 12 HG23 ILE 2 3HG2 ILE 2 0.257 2.224 -7.033 13 HD11 ILE 2 3HD1 ILE 2 0.968 4.232 -5.149 14 HD12 ILE 2 1HD1 ILE 2 2.030 4.035 -3.755 15 HD13 ILE 2 2HD1 ILE 2 2.713 4.400 -5.339 16 H ALA 3 H ALA 3 -2.191 2.668 -2.925 17 HA ALA 3 HA ALA 3 -3.521 0.277 -2.341 18 HB1 ALA 3 1HB ALA 3 -4.917 1.795 -1.519 19 HB2 ALA 3 HB2 ALA 3 -4.179 3.072 -2.488 20 HB3 ALA 3 HB3 ALA 3 -5.483 2.094 -3.163 21 H HIS 4 H HIS 4 -5.372 -0.660 -3.492 22 HA HIS 4 HA HIS 4 -4.745 -1.610 -5.999 23 HB2 HIS 4 HB2 HIS 4 -7.173 -1.549 -4.325 24 HB3 HIS 4 HB3 HIS 4 -7.463 -1.779 -6.047 25 HD1 HIS 4 HD1 HIS 4 -5.242 -3.304 -3.355 26 HD2 HIS 4 HD2 HIS 4 -7.319 -4.370 -6.792 27 HE1 HIS 4 HE1 HIS 4 -4.958 -5.794 -3.568 28 H TYR 5 H TYR 5 -4.619 -0.675 -7.921 29 HA TYR 5 HA TYR 5 -4.939 0.746 -9.666 30 HB2 TYR 5 HB2 TYR 5 -7.642 1.446 -8.553 31 HB3 TYR 5 HB3 TYR 5 -7.140 1.329 -10.236 32 HD1 TYR 5 HD1 TYR 5 -5.798 -1.323 -10.215 33 HD2 TYR 5 HD2 TYR 5 -9.438 -0.046 -8.419 34 HE1 TYR 5 HE1 TYR 5 -6.648 -3.629 -10.311 35 HE2 TYR 5 HE2 TYR 5 -10.297 -2.348 -8.509 36 HH TYR 5 HH TYR 5 -8.903 -4.759 -10.360 37 H GLY 6 H GLY 6 -3.690 1.746 -7.295 38 HA2 GLY 6 2HA GLY 6 -4.671 4.498 -7.069 39 HA3 GLY 6 3HA GLY 6 -3.462 3.743 -6.040 40 H LYS 7 H LYS 7 -3.048 6.260 -7.050 41 HA LYS 7 HA LYS 7 -1.577 6.255 -9.484 42 HB2 LYS 7 HB2 LYS 7 -2.568 8.187 -7.725 43 HB3 LYS 7 HB3 LYS 7 -0.822 8.386 -7.667 44 HG2 LYS 7 2HG LYS 7 -1.859 8.083 -10.374 45 HG3 LYS 7 3HG LYS 7 -2.499 9.491 -9.524 46 HD2 LYS 7 2HD LYS 7 0.433 8.822 -9.753 47 HD3 LYS 7 3HD LYS 7 -0.418 9.951 -10.809 48 HE2 LYS 7 2HE LYS 7 -1.134 11.005 -8.488 49 HE3 LYS 7 3HE LYS 7 0.350 10.222 -7.949 50 HZ1 LYS 7 3HZ LYS 7 1.310 12.095 -8.663 51 HZ2 LYS 7 1HZ LYS 7 -0.002 12.537 -9.635 52 HZ3 LYS 7 2HZ LYS 7 1.142 11.434 -10.211 53 H CYS 8 H CYS 8 0.686 6.531 -9.772 54 HA CYS 8 HA CYS 8 2.298 5.464 -7.547 55 HB2 CYS 8 HB2 CYS 8 1.978 4.503 -10.218 56 HB3 CYS 8 HB3 CYS 8 3.637 5.061 -10.025 57 H ASP 9 H ASP 9 4.398 6.287 -7.262 58 HA ASP 9 HA ASP 9 4.667 9.061 -7.995 59 HB2 ASP 9 HB2 ASP 9 6.122 7.174 -6.194 60 HB3 ASP 9 HB3 ASP 9 6.952 8.635 -6.724 61 H GLY 10 H GLY 10 6.135 6.005 -8.897 62 HA2 GLY 10 2HA GLY 10 6.933 5.948 -11.248 63 HA3 GLY 10 3HA GLY 10 7.755 7.461 -10.896 64 H ILE 11 H ILE 11 9.325 7.317 -8.995 65 HA ILE 11 HA ILE 11 11.345 5.492 -9.619 66 HB ILE 11 HB ILE 11 11.227 7.733 -8.085 67 HG12 ILE 11 2HG1 ILE 11 13.212 6.941 -9.230 68 HG13 ILE 11 3HG1 ILE 11 13.608 7.253 -7.543 69 HG21 ILE 11 1HG2 ILE 11 11.723 7.235 -5.811 70 HG22 ILE 11 2HG2 ILE 11 10.254 6.355 -6.230 71 HG23 ILE 11 3HG2 ILE 11 11.797 5.505 -6.143 72 HD11 ILE 11 3HD1 ILE 11 14.659 5.219 -8.275 73 HD12 ILE 11 1HD1 ILE 11 13.413 4.845 -7.084 74 HD13 ILE 11 2HD1 ILE 11 13.106 4.567 -8.798 75 H ILE 12 H ILE 12 8.618 5.216 -7.500 76 HA ILE 12 HA ILE 12 9.691 2.785 -6.271 77 HB ILE 12 HB ILE 12 7.125 4.266 -5.683 78 HG12 ILE 12 2HG1 ILE 12 8.941 4.275 -3.497 79 HG13 ILE 12 3HG1 ILE 12 9.837 4.781 -4.925 80 HG21 ILE 12 1HG2 ILE 12 8.301 1.738 -4.675 81 HG22 ILE 12 2HG2 ILE 12 7.511 2.793 -3.505 82 HG23 ILE 12 3HG2 ILE 12 6.612 2.194 -4.899 83 HD11 ILE 12 3HD1 ILE 12 7.698 6.310 -5.253 84 HD12 ILE 12 1HD1 ILE 12 7.616 6.117 -3.502 85 HD13 ILE 12 2HD1 ILE 12 9.063 6.796 -4.248 86 H ASN 13 H ASN 13 9.572 1.340 -7.993 87 HA ASN 13 HA ASN 13 7.020 0.906 -9.312 88 HB2 ASN 13 HB2 ASN 13 9.702 -0.459 -9.638 89 HB3 ASN 13 HB3 ASN 13 8.275 -0.812 -10.609 90 HD21 ASN 13 1HD2 ASN 13 10.378 1.859 -9.630 91 HD22 ASN 13 2HD2 ASN 13 10.281 2.714 -11.128 92 H GLN 14 H GLN 14 7.950 0.172 -6.380 93 HA GLN 14 HA GLN 14 7.464 -2.666 -6.300 94 HB2 GLN 14 HB2 GLN 14 7.837 -0.571 -4.165 95 HB3 GLN 14 HB3 GLN 14 7.465 -2.248 -3.787 96 HG2 GLN 14 2HG GLN 14 9.724 -2.327 -3.637 97 HG3 GLN 14 3HG GLN 14 9.540 -2.696 -5.351 98 HE21 GLN 14 1HE2 GLN 14 10.169 -1.204 -6.872 99 HE22 GLN 14 2HE2 GLN 14 11.092 0.203 -6.482 100 H CYS 15 H CYS 15 5.355 -2.320 -7.486 101 HA CYS 15 HA CYS 15 3.178 -1.504 -5.701 102 HB2 CYS 15 HB2 CYS 15 3.343 -0.600 -8.061 103 HB3 CYS 15 HB3 CYS 15 2.975 -2.226 -8.626 104 H CYS 16 H CYS 16 2.603 -3.139 -4.402 105 HA CYS 16 HA CYS 16 2.878 -5.857 -4.873 106 HB2 CYS 16 HB2 CYS 16 0.720 -4.552 -3.203 107 HB3 CYS 16 HB3 CYS 16 1.323 -6.198 -3.039 108 H ASP 17 H ASP 17 -0.216 -4.082 -4.980 109 HA ASP 17 HA ASP 17 -1.044 -5.835 -7.193 110 HB2 ASP 17 HB2 ASP 17 -2.249 -5.557 -4.555 111 HB3 ASP 17 HB3 ASP 17 -3.396 -5.220 -5.849 112 HA PRO 18 HA PRO 18 -3.448 -5.959 -7.900 113 HB2 PRO 18 HB2 PRO 18 -4.002 -5.783 -10.552 114 HB3 PRO 18 HB3 PRO 18 -5.058 -5.112 -9.303 115 HG2 PRO 18 2HG PRO 18 -3.027 -3.727 -11.011 116 HG3 PRO 18 3HG PRO 18 -4.662 -3.202 -10.568 117 HD2 PRO 18 2HD PRO 18 -2.444 -2.255 -9.337 118 HD3 PRO 18 3HD PRO 18 -3.994 -2.449 -8.494 119 H TRP 19 H TRP 19 -1.378 -4.540 -10.439 120 HA TRP 19 HA TRP 19 0.232 -7.003 -10.375 121 HB2 TRP 19 HB2 TRP 19 -0.678 -5.464 -12.813 122 HB3 TRP 19 HB3 TRP 19 0.577 -6.700 -12.848 123 HD1 TRP 19 HD1 TRP 19 -3.178 -6.260 -12.741 124 HE1 TRP 19 HE1 TRP 19 -4.309 -8.563 -12.949 125 HE3 TRP 19 HE3 TRP 19 0.946 -9.238 -12.226 126 HZ2 TRP 19 HZ2 TRP 19 -3.552 -11.282 -12.899 127 HZ3 TRP 19 HZ3 TRP 19 0.656 -11.680 -12.317 128 HH2 TRP 19 HH2 TRP 19 -1.547 -12.679 -12.646 129 H LEU 20 H LEU 20 0.773 -4.319 -12.543 130 HA LEU 20 HA LEU 20 3.018 -3.416 -10.873 131 HB2 LEU 20 HB2 LEU 20 4.157 -3.011 -13.181 132 HB3 LEU 20 HB3 LEU 20 4.211 -4.603 -12.425 133 HG LEU 20 HG LEU 20 2.398 -5.355 -13.896 134 HD11 LEU 20 1HD1 LEU 20 2.546 -2.527 -14.883 135 HD12 LEU 20 2HD1 LEU 20 1.135 -3.445 -14.357 136 HD13 LEU 20 3HD1 LEU 20 1.917 -3.830 -15.891 137 HD21 LEU 20 3HD2 LEU 20 3.692 -5.545 -15.887 138 HD22 LEU 20 1HD2 LEU 20 4.816 -5.545 -14.528 139 HD23 LEU 20 2HD2 LEU 20 4.611 -4.089 -15.502 140 H CYS 21 H CYS 21 3.789 -1.241 -11.410 141 HA CYS 21 HA CYS 21 1.539 0.490 -12.072 142 HB2 CYS 21 HB2 CYS 21 3.999 0.731 -10.481 143 HB3 CYS 21 HB3 CYS 21 3.603 2.168 -11.416 144 H THR 22 H THR 22 1.324 1.469 -13.969 145 HA THR 22 HA THR 22 3.694 2.049 -15.584 146 HB THR 22 HB THR 22 1.507 0.183 -16.341 147 HG1 THR 22 HG1 THR 22 3.816 -0.334 -15.957 148 HG21 THR 22 3HG2 THR 22 1.992 0.676 -18.769 149 HG22 THR 22 1HG2 THR 22 2.746 2.177 -18.233 150 HG23 THR 22 2HG2 THR 22 1.032 1.893 -17.928 151 HA PRO 23 HA PRO 23 4.234 3.026 -17.408 152 HB2 PRO 23 HB2 PRO 23 5.362 5.494 -17.498 153 HB3 PRO 23 HB3 PRO 23 4.279 4.887 -18.756 154 HG2 PRO 23 2HG PRO 23 3.682 6.721 -16.467 155 HG3 PRO 23 3HG PRO 23 3.153 6.830 -18.156 156 HD2 PRO 23 2HD PRO 23 1.556 5.878 -16.187 157 HD3 PRO 23 3HD PRO 23 1.467 5.287 -17.858 158 HA PRO 24 HA PRO 24 6.780 2.942 -13.824 159 HB2 PRO 24 HB2 PRO 24 9.272 3.385 -14.805 160 HB3 PRO 24 HB3 PRO 24 8.388 1.879 -15.075 161 HG2 PRO 24 2HG PRO 24 8.716 4.235 -16.893 162 HG3 PRO 24 3HG PRO 24 8.803 2.505 -17.276 163 HD2 PRO 24 2HD PRO 24 6.602 4.000 -17.779 164 HD3 PRO 24 3HD PRO 24 6.511 2.279 -17.354 165 H ILE 25 H ILE 25 6.423 5.809 -15.571 166 HA ILE 25 HA ILE 25 8.085 7.387 -13.759 167 HB ILE 25 HB ILE 25 6.407 8.416 -16.043 168 HG12 ILE 25 2HG1 ILE 25 9.310 7.561 -16.078 169 HG13 ILE 25 3HG1 ILE 25 7.984 6.714 -16.867 170 HG21 ILE 25 1HG2 ILE 25 8.834 9.848 -15.500 171 HG22 ILE 25 2HG2 ILE 25 7.167 10.422 -15.472 172 HG23 ILE 25 3HG2 ILE 25 7.875 9.697 -14.028 173 HD11 ILE 25 3HD1 ILE 25 9.021 7.920 -18.567 174 HD12 ILE 25 1HD1 ILE 25 7.601 8.879 -18.153 175 HD13 ILE 25 2HD1 ILE 25 9.193 9.361 -17.565 176 H ILE 26 H ILE 26 4.723 7.445 -14.955 177 HA ILE 26 HA ILE 26 3.669 7.875 -12.335 178 HB ILE 26 HB ILE 26 2.540 10.108 -13.353 179 HG12 ILE 26 2HG1 ILE 26 4.357 11.495 -14.315 180 HG13 ILE 26 3HG1 ILE 26 5.399 10.077 -14.346 181 HG21 ILE 26 1HG2 ILE 26 3.288 10.739 -11.363 182 HG22 ILE 26 2HG2 ILE 26 4.485 9.445 -11.365 183 HG23 ILE 26 3HG2 ILE 26 4.878 11.009 -12.077 184 HD11 ILE 26 3HD1 ILE 26 2.786 10.256 -15.818 185 HD12 ILE 26 1HD1 ILE 26 4.348 10.668 -16.526 186 HD13 ILE 26 2HD1 ILE 26 4.034 9.021 -15.979 187 H GLY 27 H GLY 27 1.673 7.055 -12.268 188 HA2 GLY 27 2HA GLY 27 -0.352 7.447 -14.147 189 HA3 GLY 27 3HA GLY 27 0.460 5.947 -14.567 190 H PHE 28 H PHE 28 -1.107 4.501 -14.055 191 HA PHE 28 HA PHE 28 -1.832 4.336 -11.211 192 HB2 PHE 28 HB2 PHE 28 -3.697 3.834 -13.540 193 HB3 PHE 28 HB3 PHE 28 -4.093 3.599 -11.840 194 HD1 PHE 28 HD1 PHE 28 -3.953 5.652 -10.312 195 HD2 PHE 28 HD2 PHE 28 -4.069 5.881 -14.560 196 HE1 PHE 28 HE1 PHE 28 -4.699 7.992 -10.161 197 HE2 PHE 28 HE2 PHE 28 -4.815 8.222 -14.417 198 HZ PHE 28 HZ PHE 28 -5.130 9.280 -12.215 199 H CYS 29 H CYS 29 -1.868 2.309 -10.328 200 HA CYS 29 HA CYS 29 -0.443 0.263 -11.730 201 HB2 CYS 29 HB2 CYS 29 -0.568 0.858 -9.147 202 HB3 CYS 29 HB3 CYS 29 -1.883 -0.312 -9.180 203 H LEU 30 H LEU 30 -1.215 -1.396 -12.869 204 HA LEU 30 HA LEU 30 -3.918 -2.369 -12.422 205 HB2 LEU 30 HB2 LEU 30 -4.216 -2.305 -14.999 206 HB3 LEU 30 HB3 LEU 30 -4.562 -0.870 -14.037 207 HG LEU 30 HG LEU 30 -2.255 -0.048 -14.642 208 HD11 LEU 30 1HD1 LEU 30 -1.712 -1.258 -17.003 209 HD12 LEU 30 2HD1 LEU 30 -2.277 -2.626 -16.045 210 HD13 LEU 30 3HD1 LEU 30 -0.923 -1.650 -15.475 211 HD21 LEU 30 3HD2 LEU 30 -4.549 -0.365 -16.499 212 HD22 LEU 30 1HD2 LEU 30 -3.041 0.275 -17.153 213 HD23 LEU 30 2HD2 LEU 30 -3.838 1.096 -15.811 Start of MODEL 15 1 H1 CYS 1 H CYS 1 2.616 0.855 0.488 2 HA CYS 1 HA CYS 1 3.492 0.516 -1.613 3 HB2 CYS 1 HB2 CYS 1 3.104 -1.910 -2.345 4 HB3 CYS 1 HB3 CYS 1 3.841 -1.653 -0.767 5 H ILE 2 H ILE 2 1.363 2.096 -1.996 6 HA ILE 2 HA ILE 2 -0.081 2.832 -3.593 7 HB ILE 2 HB ILE 2 0.937 0.516 -5.242 8 HG12 ILE 2 2HG1 ILE 2 2.788 1.922 -4.506 9 HG13 ILE 2 3HG1 ILE 2 2.488 2.172 -6.222 10 HG21 ILE 2 1HG2 ILE 2 -0.578 3.019 -5.934 11 HG22 ILE 2 2HG2 ILE 2 0.294 2.066 -7.133 12 HG23 ILE 2 3HG2 ILE 2 -1.041 1.345 -6.235 13 HD11 ILE 2 3HD1 ILE 2 0.957 4.123 -5.178 14 HD12 ILE 2 1HD1 ILE 2 2.232 4.029 -3.963 15 HD13 ILE 2 2HD1 ILE 2 2.643 4.334 -5.651 16 H ALA 3 H ALA 3 -2.139 2.598 -3.012 17 HA ALA 3 HA ALA 3 -3.390 0.170 -2.358 18 HB1 ALA 3 1HB ALA 3 -5.262 2.186 -3.258 19 HB2 ALA 3 HB2 ALA 3 -5.025 1.503 -1.649 20 HB3 ALA 3 HB3 ALA 3 -4.035 2.861 -2.185 21 H HIS 4 H HIS 4 -5.264 -0.797 -3.454 22 HA HIS 4 HA HIS 4 -4.695 -1.748 -5.972 23 HB2 HIS 4 HB2 HIS 4 -7.110 -1.671 -4.264 24 HB3 HIS 4 HB3 HIS 4 -7.392 -1.974 -5.975 25 HD1 HIS 4 HD1 HIS 4 -5.386 -3.392 -3.086 26 HD2 HIS 4 HD2 HIS 4 -6.962 -4.549 -6.752 27 HE1 HIS 4 HE1 HIS 4 -4.996 -5.872 -3.233 28 H TYR 5 H TYR 5 -4.624 -0.822 -7.900 29 HA TYR 5 HA TYR 5 -4.995 0.589 -9.644 30 HB2 TYR 5 HB2 TYR 5 -7.676 1.280 -8.475 31 HB3 TYR 5 HB3 TYR 5 -7.213 1.142 -10.167 32 HD1 TYR 5 HD1 TYR 5 -5.868 -1.496 -10.169 33 HD2 TYR 5 HD2 TYR 5 -9.447 -0.226 -8.251 34 HE1 TYR 5 HE1 TYR 5 -6.706 -3.808 -10.214 35 HE2 TYR 5 HE2 TYR 5 -10.294 -2.535 -8.289 36 HH TYR 5 HH TYR 5 -8.621 -5.104 -8.563 37 H GLY 6 H GLY 6 -3.692 1.613 -7.319 38 HA2 GLY 6 2HA GLY 6 -4.684 4.368 -7.118 39 HA3 GLY 6 3HA GLY 6 -3.494 3.623 -6.060 40 H LYS 7 H LYS 7 -3.065 6.125 -7.120 41 HA LYS 7 HA LYS 7 -1.586 6.109 -9.533 42 HB2 LYS 7 HB2 LYS 7 -2.538 8.045 -7.801 43 HB3 LYS 7 HB3 LYS 7 -0.793 8.169 -7.619 44 HG2 LYS 7 2HG LYS 7 -1.642 7.976 -10.398 45 HG3 LYS 7 3HG LYS 7 -2.298 9.383 -9.559 46 HD2 LYS 7 2HD LYS 7 0.621 8.621 -9.594 47 HD3 LYS 7 3HD LYS 7 -0.116 9.808 -10.674 48 HE2 LYS 7 2HE LYS 7 -0.963 10.829 -8.388 49 HE3 LYS 7 3HE LYS 7 0.440 9.969 -7.754 50 HZ1 LYS 7 3HZ LYS 7 0.962 12.259 -8.369 51 HZ2 LYS 7 1HZ LYS 7 0.507 11.947 -9.968 52 HZ3 LYS 7 2HZ LYS 7 1.844 11.156 -9.300 53 H CYS 8 H CYS 8 0.694 6.381 -9.819 54 HA CYS 8 HA CYS 8 2.281 5.152 -7.660 55 HB2 CYS 8 HB2 CYS 8 1.877 4.094 -10.129 56 HB3 CYS 8 HB3 CYS 8 3.340 5.030 -10.415 57 H ASP 9 H ASP 9 4.386 5.924 -7.299 58 HA ASP 9 HA ASP 9 4.700 8.737 -7.788 59 HB2 ASP 9 HB2 ASP 9 6.378 6.684 -6.350 60 HB3 ASP 9 HB3 ASP 9 6.897 8.356 -6.542 61 H GLY 10 H GLY 10 5.783 5.829 -9.279 62 HA2 GLY 10 2HA GLY 10 6.617 5.982 -11.552 63 HA3 GLY 10 3HA GLY 10 7.481 7.437 -11.078 64 H ILE 11 H ILE 11 9.249 7.170 -9.504 65 HA ILE 11 HA ILE 11 11.079 5.226 -10.332 66 HB ILE 11 HB ILE 11 11.268 7.496 -8.844 67 HG12 ILE 11 2HG1 ILE 11 13.051 6.580 -10.207 68 HG13 ILE 11 3HG1 ILE 11 13.669 6.896 -8.589 69 HG21 ILE 11 1HG2 ILE 11 10.461 6.190 -6.857 70 HG22 ILE 11 2HG2 ILE 11 11.963 5.270 -6.941 71 HG23 ILE 11 3HG2 ILE 11 12.008 7.007 -6.638 72 HD11 ILE 11 3HD1 ILE 11 14.513 4.796 -9.404 73 HD12 ILE 11 1HD1 ILE 11 13.412 4.510 -8.057 74 HD13 ILE 11 2HD1 ILE 11 12.875 4.221 -9.712 75 H ILE 12 H ILE 12 8.605 5.128 -7.917 76 HA ILE 12 HA ILE 12 9.703 2.757 -6.637 77 HB ILE 12 HB ILE 12 7.050 4.105 -6.127 78 HG12 ILE 12 2HG1 ILE 12 9.708 4.463 -4.726 79 HG13 ILE 12 3HG1 ILE 12 8.902 5.660 -5.733 80 HG21 ILE 12 1HG2 ILE 12 8.627 2.277 -4.329 81 HG22 ILE 12 2HG2 ILE 12 6.983 2.868 -4.096 82 HG23 ILE 12 3HG2 ILE 12 7.333 1.723 -5.391 83 HD11 ILE 12 3HD1 ILE 12 7.911 4.576 -3.108 84 HD12 ILE 12 1HD1 ILE 12 8.591 6.176 -3.399 85 HD13 ILE 12 2HD1 ILE 12 7.048 5.728 -4.127 86 H ASN 13 H ASN 13 9.594 1.077 -8.059 87 HA ASN 13 HA ASN 13 7.147 0.551 -9.527 88 HB2 ASN 13 HB2 ASN 13 9.788 -0.919 -9.412 89 HB3 ASN 13 HB3 ASN 13 8.433 -1.398 -10.429 90 HD21 ASN 13 1HD2 ASN 13 10.506 1.378 -9.707 91 HD22 ASN 13 2HD2 ASN 13 10.559 1.979 -11.326 92 H GLN 14 H GLN 14 7.836 0.172 -6.443 93 HA GLN 14 HA GLN 14 7.157 -2.597 -6.040 94 HB2 GLN 14 HB2 GLN 14 7.625 -0.256 -4.218 95 HB3 GLN 14 HB3 GLN 14 6.953 -1.758 -3.596 96 HG2 GLN 14 2HG GLN 14 9.338 -1.701 -3.250 97 HG3 GLN 14 3HG GLN 14 8.921 -2.966 -4.405 98 HE21 GLN 14 1HE2 GLN 14 9.204 0.515 -4.910 99 HE22 GLN 14 2HE2 GLN 14 10.481 0.425 -6.069 100 H CYS 15 H CYS 15 5.160 -2.285 -7.418 101 HA CYS 15 HA CYS 15 2.929 -1.070 -5.974 102 HB2 CYS 15 HB2 CYS 15 3.500 -0.968 -8.589 103 HB3 CYS 15 HB3 CYS 15 2.512 -2.426 -8.587 104 H CYS 16 H CYS 16 2.106 -2.353 -4.444 105 HA CYS 16 HA CYS 16 2.270 -5.086 -4.216 106 HB2 CYS 16 HB2 CYS 16 0.518 -2.992 -3.095 107 HB3 CYS 16 HB3 CYS 16 -0.140 -4.624 -3.040 108 H ASP 17 H ASP 17 -0.807 -3.518 -5.074 109 HA ASP 17 HA ASP 17 -1.218 -5.562 -7.140 110 HB2 ASP 17 HB2 ASP 17 -2.860 -5.073 -4.719 111 HB3 ASP 17 HB3 ASP 17 -3.740 -5.336 -6.222 112 HA PRO 18 HA PRO 18 -3.474 -6.044 -8.088 113 HB2 PRO 18 HB2 PRO 18 -3.731 -6.119 -10.790 114 HB3 PRO 18 HB3 PRO 18 -5.001 -5.514 -9.720 115 HG2 PRO 18 2HG PRO 18 -2.973 -3.987 -11.306 116 HG3 PRO 18 3HG PRO 18 -4.701 -3.656 -11.086 117 HD2 PRO 18 2HD PRO 18 -2.778 -2.342 -9.703 118 HD3 PRO 18 3HD PRO 18 -4.380 -2.686 -9.020 119 H TRP 19 H TRP 19 -1.318 -4.537 -10.503 120 HA TRP 19 HA TRP 19 0.584 -6.735 -10.046 121 HB2 TRP 19 HB2 TRP 19 -0.249 -5.567 -12.708 122 HB3 TRP 19 HB3 TRP 19 1.148 -6.617 -12.491 123 HD1 TRP 19 HD1 TRP 19 -2.622 -6.690 -12.793 124 HE1 TRP 19 HE1 TRP 19 -3.420 -9.136 -12.865 125 HE3 TRP 19 HE3 TRP 19 1.766 -9.013 -11.574 126 HZ2 TRP 19 HZ2 TRP 19 -2.334 -11.709 -12.457 127 HZ3 TRP 19 HZ3 TRP 19 1.802 -11.469 -11.436 128 HH2 TRP 19 HH2 TRP 19 -0.207 -12.787 -11.868 129 H LEU 20 H LEU 20 0.978 -4.198 -12.417 130 HA LEU 20 HA LEU 20 2.894 -2.838 -10.649 131 HB2 LEU 20 HB2 LEU 20 4.118 -2.477 -12.980 132 HB3 LEU 20 HB3 LEU 20 4.455 -3.851 -11.929 133 HG LEU 20 HG LEU 20 2.904 -5.219 -13.301 134 HD11 LEU 20 1HD1 LEU 20 2.697 -2.649 -14.821 135 HD12 LEU 20 2HD1 LEU 20 1.418 -3.742 -14.295 136 HD13 LEU 20 3HD1 LEU 20 2.474 -4.200 -15.631 137 HD21 LEU 20 3HD2 LEU 20 5.090 -3.928 -14.926 138 HD22 LEU 20 1HD2 LEU 20 4.427 -5.551 -15.120 139 HD23 LEU 20 2HD2 LEU 20 5.364 -5.148 -13.681 140 H CYS 21 H CYS 21 3.421 -0.631 -11.343 141 HA CYS 21 HA CYS 21 1.040 0.682 -12.410 142 HB2 CYS 21 HB2 CYS 21 2.094 2.760 -11.541 143 HB3 CYS 21 HB3 CYS 21 1.857 1.536 -10.297 144 H THR 22 H THR 22 0.953 1.512 -14.389 145 HA THR 22 HA THR 22 3.452 2.191 -15.772 146 HB THR 22 HB THR 22 1.484 0.148 -16.578 147 HG1 THR 22 HG1 THR 22 3.817 -0.116 -16.162 148 HG21 THR 22 3HG2 THR 22 0.840 1.765 -18.211 149 HG22 THR 22 1HG2 THR 22 1.916 0.620 -19.012 150 HG23 THR 22 2HG2 THR 22 2.518 2.205 -18.526 151 HA PRO 23 HA PRO 23 4.063 3.018 -17.702 152 HB2 PRO 23 HB2 PRO 23 5.158 5.491 -17.934 153 HB3 PRO 23 HB3 PRO 23 4.138 4.771 -19.186 154 HG2 PRO 23 2HG PRO 23 3.418 6.763 -17.070 155 HG3 PRO 23 3HG PRO 23 2.959 6.735 -18.782 156 HD2 PRO 23 2HD PRO 23 1.294 5.906 -16.814 157 HD3 PRO 23 3HD PRO 23 1.285 5.188 -18.438 158 HA PRO 24 HA PRO 24 6.450 3.246 -14.017 159 HB2 PRO 24 HB2 PRO 24 8.977 3.638 -14.926 160 HB3 PRO 24 HB3 PRO 24 8.117 2.105 -15.111 161 HG2 PRO 24 2HG PRO 24 8.504 4.311 -17.097 162 HG3 PRO 24 3HG PRO 24 8.620 2.558 -17.335 163 HD2 PRO 24 2HD PRO 24 6.431 3.983 -18.048 164 HD3 PRO 24 3HD PRO 24 6.335 2.300 -17.490 165 H ILE 25 H ILE 25 6.047 5.959 -15.939 166 HA ILE 25 HA ILE 25 7.513 7.681 -14.054 167 HB ILE 25 HB ILE 25 6.479 8.471 -16.775 168 HG12 ILE 25 2HG1 ILE 25 9.297 7.681 -16.010 169 HG13 ILE 25 3HG1 ILE 25 8.184 6.660 -16.914 170 HG21 ILE 25 1HG2 ILE 25 8.600 10.086 -16.131 171 HG22 ILE 25 2HG2 ILE 25 6.898 10.504 -15.950 172 HG23 ILE 25 3HG2 ILE 25 7.797 9.859 -14.577 173 HD11 ILE 25 3HD1 ILE 25 9.821 8.905 -17.800 174 HD12 ILE 25 1HD1 ILE 25 9.165 7.544 -18.709 175 HD13 ILE 25 2HD1 ILE 25 8.157 8.954 -18.381 176 H ILE 26 H ILE 26 5.615 7.255 -12.613 177 HA ILE 26 HA ILE 26 3.760 8.020 -11.540 178 HB ILE 26 HB ILE 26 3.971 10.365 -13.431 179 HG12 ILE 26 2HG1 ILE 26 4.928 11.347 -11.161 180 HG13 ILE 26 3HG1 ILE 26 5.340 9.661 -10.872 181 HG21 ILE 26 1HG2 ILE 26 2.772 11.524 -11.511 182 HG22 ILE 26 2HG2 ILE 26 1.816 10.418 -12.496 183 HG23 ILE 26 3HG2 ILE 26 2.401 9.907 -10.912 184 HD11 ILE 26 3HD1 ILE 26 6.819 9.590 -12.656 185 HD12 ILE 26 1HD1 ILE 26 6.117 11.015 -13.421 186 HD13 ILE 26 2HD1 ILE 26 7.087 11.187 -11.957 187 H GLY 27 H GLY 27 2.216 6.548 -12.060 188 HA2 GLY 27 2HA GLY 27 0.257 7.372 -14.046 189 HA3 GLY 27 3HA GLY 27 1.039 5.827 -14.345 190 H PHE 28 H PHE 28 -0.718 4.520 -14.069 191 HA PHE 28 HA PHE 28 -1.783 4.389 -11.330 192 HB2 PHE 28 HB2 PHE 28 -3.359 4.122 -13.898 193 HB3 PHE 28 HB3 PHE 28 -3.993 3.754 -12.297 194 HD1 PHE 28 HD1 PHE 28 -3.931 5.658 -10.562 195 HD2 PHE 28 HD2 PHE 28 -3.549 6.259 -14.758 196 HE1 PHE 28 HE1 PHE 28 -4.592 8.011 -10.281 197 HE2 PHE 28 HE2 PHE 28 -4.209 8.614 -14.484 198 HZ PHE 28 HZ PHE 28 -4.730 9.493 -12.244 199 H CYS 29 H CYS 29 -2.030 2.374 -10.475 200 HA CYS 29 HA CYS 29 -0.637 0.228 -11.769 201 HB2 CYS 29 HB2 CYS 29 -1.106 0.890 -9.159 202 HB3 CYS 29 HB3 CYS 29 -2.250 -0.427 -9.395 203 H LEU 30 H LEU 30 -1.443 -1.377 -12.960 204 HA LEU 30 HA LEU 30 -4.180 -2.250 -12.674 205 HB2 LEU 30 HB2 LEU 30 -4.972 -1.701 -14.794 206 HB3 LEU 30 HB3 LEU 30 -4.164 -0.237 -14.238 207 HG LEU 30 HG LEU 30 -2.932 -2.235 -16.132 208 HD11 LEU 30 1HD1 LEU 30 -3.716 -1.079 -17.919 209 HD12 LEU 30 2HD1 LEU 30 -3.806 0.446 -17.038 210 HD13 LEU 30 3HD1 LEU 30 -5.053 -0.780 -16.807 211 HD21 LEU 30 3HD2 LEU 30 -1.144 -1.108 -15.243 212 HD22 LEU 30 1HD2 LEU 30 -2.076 0.358 -14.940 213 HD23 LEU 30 2HD2 LEU 30 -1.566 -0.039 -16.581 Start of MODEL 16 1 H1 CYS 1 H CYS 1 1.377 -0.662 0.818 2 HA CYS 1 HA CYS 1 2.819 0.432 -1.148 3 HB2 CYS 1 HB2 CYS 1 2.797 -1.858 -2.287 4 HB3 CYS 1 HB3 CYS 1 3.297 -1.812 -0.600 5 H ILE 2 H ILE 2 0.863 1.981 -1.713 6 HA ILE 2 HA ILE 2 -0.407 2.858 -3.385 7 HB ILE 2 HB ILE 2 0.702 0.600 -5.056 8 HG12 ILE 2 2HG1 ILE 2 2.495 1.954 -4.112 9 HG13 ILE 2 3HG1 ILE 2 2.338 2.283 -5.834 10 HG21 ILE 2 1HG2 ILE 2 -1.194 1.500 -6.157 11 HG22 ILE 2 2HG2 ILE 2 -0.717 3.153 -5.773 12 HG23 ILE 2 3HG2 ILE 2 0.221 2.212 -6.932 13 HD11 ILE 2 3HD1 ILE 2 1.791 4.027 -3.506 14 HD12 ILE 2 1HD1 ILE 2 2.536 4.403 -5.059 15 HD13 ILE 2 2HD1 ILE 2 0.784 4.227 -4.940 16 H ALA 3 H ALA 3 -2.521 2.685 -3.047 17 HA ALA 3 HA ALA 3 -3.924 0.310 -2.578 18 HB1 ALA 3 1HB ALA 3 -4.512 3.090 -2.681 19 HB2 ALA 3 HB2 ALA 3 -5.732 2.226 -3.619 20 HB3 ALA 3 HB3 ALA 3 -5.443 1.791 -1.934 21 H HIS 4 H HIS 4 -5.673 -0.614 -3.884 22 HA HIS 4 HA HIS 4 -4.839 -1.565 -6.331 23 HB2 HIS 4 HB2 HIS 4 -7.408 -1.488 -4.876 24 HB3 HIS 4 HB3 HIS 4 -7.534 -1.743 -6.614 25 HD1 HIS 4 HD1 HIS 4 -5.635 -3.234 -3.671 26 HD2 HIS 4 HD2 HIS 4 -7.260 -4.336 -7.333 27 HE1 HIS 4 HE1 HIS 4 -5.316 -5.724 -3.826 28 H TYR 5 H TYR 5 -4.548 -0.625 -8.231 29 HA TYR 5 HA TYR 5 -4.715 0.803 -9.993 30 HB2 TYR 5 HB2 TYR 5 -7.506 1.493 -9.115 31 HB3 TYR 5 HB3 TYR 5 -6.860 1.386 -10.749 32 HD1 TYR 5 HD1 TYR 5 -5.515 -1.265 -10.615 33 HD2 TYR 5 HD2 TYR 5 -9.307 -0.002 -9.156 34 HE1 TYR 5 HE1 TYR 5 -6.346 -3.572 -10.796 35 HE2 TYR 5 HE2 TYR 5 -10.148 -2.306 -9.333 36 HH TYR 5 HH TYR 5 -8.538 -4.725 -11.037 37 H GLY 6 H GLY 6 -3.678 1.798 -7.521 38 HA2 GLY 6 2HA GLY 6 -4.678 4.549 -7.378 39 HA3 GLY 6 3HA GLY 6 -3.569 3.792 -6.245 40 H LYS 7 H LYS 7 -3.040 6.302 -7.177 41 HA LYS 7 HA LYS 7 -1.372 6.321 -9.481 42 HB2 LYS 7 HB2 LYS 7 -2.533 8.245 -7.899 43 HB3 LYS 7 HB3 LYS 7 -0.833 8.388 -7.471 44 HG2 LYS 7 2HG LYS 7 -1.322 8.203 -10.347 45 HG3 LYS 7 3HG LYS 7 -2.037 9.621 -9.578 46 HD2 LYS 7 2HD LYS 7 0.844 8.784 -9.270 47 HD3 LYS 7 3HD LYS 7 0.275 9.990 -10.426 48 HE2 LYS 7 2HE LYS 7 -0.833 10.965 -8.189 49 HE3 LYS 7 3HE LYS 7 0.566 10.155 -7.485 50 HZ1 LYS 7 3HZ LYS 7 1.882 11.389 -9.271 51 HZ2 LYS 7 1HZ LYS 7 1.317 12.286 -7.953 52 HZ3 LYS 7 2HZ LYS 7 0.512 12.368 -9.438 53 H CYS 8 H CYS 8 0.908 6.571 -9.579 54 HA CYS 8 HA CYS 8 2.323 5.458 -7.244 55 HB2 CYS 8 HB2 CYS 8 2.183 4.486 -9.910 56 HB3 CYS 8 HB3 CYS 8 3.822 5.072 -9.650 57 H ASP 9 H ASP 9 4.405 6.248 -6.787 58 HA ASP 9 HA ASP 9 4.752 9.022 -7.230 59 HB2 ASP 9 HB2 ASP 9 6.336 6.864 -5.908 60 HB3 ASP 9 HB3 ASP 9 7.143 8.386 -6.277 61 H GLY 10 H GLY 10 5.757 6.224 -8.973 62 HA2 GLY 10 2HA GLY 10 6.375 6.715 -11.326 63 HA3 GLY 10 3HA GLY 10 7.464 7.932 -10.678 64 H ILE 11 H ILE 11 9.374 7.272 -9.612 65 HA ILE 11 HA ILE 11 10.682 5.086 -10.769 66 HB ILE 11 HB ILE 11 11.505 7.239 -9.322 67 HG12 ILE 11 2HG1 ILE 11 12.845 6.092 -10.986 68 HG13 ILE 11 3HG1 ILE 11 13.778 6.244 -9.500 69 HG21 ILE 11 1HG2 ILE 11 10.845 6.013 -7.233 70 HG22 ILE 11 2HG2 ILE 11 12.132 4.861 -7.587 71 HG23 ILE 11 3HG2 ILE 11 12.523 6.554 -7.285 72 HD11 ILE 11 3HD1 ILE 11 14.101 4.064 -10.467 73 HD12 ILE 11 1HD1 ILE 11 13.223 3.916 -8.945 74 HD13 ILE 11 2HD1 ILE 11 12.362 3.777 -10.478 75 H ILE 12 H ILE 12 8.683 5.313 -7.955 76 HA ILE 12 HA ILE 12 9.535 2.689 -6.988 77 HB ILE 12 HB ILE 12 7.540 4.624 -5.805 78 HG12 ILE 12 2HG1 ILE 12 9.836 4.230 -4.170 79 HG13 ILE 12 3HG1 ILE 12 10.397 4.606 -5.796 80 HG21 ILE 12 1HG2 ILE 12 6.851 2.742 -4.775 81 HG22 ILE 12 2HG2 ILE 12 8.349 1.879 -5.118 82 HG23 ILE 12 3HG2 ILE 12 8.274 3.015 -3.771 83 HD11 ILE 12 3HD1 ILE 12 9.221 6.326 -3.798 84 HD12 ILE 12 1HD1 ILE 12 10.115 6.737 -5.261 85 HD13 ILE 12 2HD1 ILE 12 8.379 6.438 -5.344 86 H ASN 13 H ASN 13 8.699 1.266 -8.486 87 HA ASN 13 HA ASN 13 5.807 1.330 -8.964 88 HB2 ASN 13 HB2 ASN 13 7.963 -0.305 -10.321 89 HB3 ASN 13 HB3 ASN 13 6.260 -0.277 -10.771 90 HD21 ASN 13 1HD2 ASN 13 9.078 1.817 -10.369 91 HD22 ASN 13 2HD2 ASN 13 8.668 2.908 -11.644 92 H GLN 14 H GLN 14 7.312 0.351 -6.500 93 HA GLN 14 HA GLN 14 6.807 -2.484 -6.446 94 HB2 GLN 14 HB2 GLN 14 7.777 -0.473 -4.442 95 HB3 GLN 14 HB3 GLN 14 7.303 -2.085 -3.924 96 HG2 GLN 14 2HG GLN 14 9.513 -2.446 -4.252 97 HG3 GLN 14 3HG GLN 14 8.929 -2.801 -5.878 98 HE21 GLN 14 1HE2 GLN 14 9.654 -1.619 -7.539 99 HE22 GLN 14 2HE2 GLN 14 10.699 -0.251 -7.397 100 H CYS 15 H CYS 15 4.496 -2.093 -7.110 101 HA CYS 15 HA CYS 15 2.801 -1.449 -4.794 102 HB2 CYS 15 HB2 CYS 15 0.970 -1.210 -6.470 103 HB3 CYS 15 HB3 CYS 15 2.292 -0.073 -6.711 104 H CYS 16 H CYS 16 2.236 -3.197 -3.683 105 HA CYS 16 HA CYS 16 2.449 -5.817 -4.271 106 HB2 CYS 16 HB2 CYS 16 0.094 -4.611 -2.803 107 HB3 CYS 16 HB3 CYS 16 0.661 -6.272 -2.666 108 H ASP 17 H ASP 17 -0.655 -4.107 -4.694 109 HA ASP 17 HA ASP 17 -1.181 -5.834 -7.020 110 HB2 ASP 17 HB2 ASP 17 -2.785 -5.444 -4.578 111 HB3 ASP 17 HB3 ASP 17 -3.691 -5.324 -6.084 112 HA PRO 18 HA PRO 18 -3.506 -5.945 -7.997 113 HB2 PRO 18 HB2 PRO 18 -3.755 -5.769 -10.695 114 HB3 PRO 18 HB3 PRO 18 -4.940 -5.086 -9.574 115 HG2 PRO 18 2HG PRO 18 -2.716 -3.722 -11.042 116 HG3 PRO 18 3HG PRO 18 -4.385 -3.182 -10.788 117 HD2 PRO 18 2HD PRO 18 -2.313 -2.252 -9.314 118 HD3 PRO 18 3HD PRO 18 -3.950 -2.431 -8.653 119 H TRP 19 H TRP 19 -1.175 -4.565 -10.324 120 HA TRP 19 HA TRP 19 0.431 -7.012 -10.031 121 HB2 TRP 19 HB2 TRP 19 -0.258 -5.579 -12.602 122 HB3 TRP 19 HB3 TRP 19 0.997 -6.808 -12.471 123 HD1 TRP 19 HD1 TRP 19 -2.752 -6.387 -12.735 124 HE1 TRP 19 HE1 TRP 19 -3.853 -8.703 -12.949 125 HE3 TRP 19 HE3 TRP 19 1.310 -9.316 -11.708 126 HZ2 TRP 19 HZ2 TRP 19 -3.100 -11.413 -12.714 127 HZ3 TRP 19 HZ3 TRP 19 1.035 -11.761 -11.722 128 HH2 TRP 19 HH2 TRP 19 -1.125 -12.786 -12.215 129 H LEU 20 H LEU 20 1.185 -4.455 -12.272 130 HA LEU 20 HA LEU 20 3.273 -3.475 -10.441 131 HB2 LEU 20 HB2 LEU 20 4.584 -3.097 -12.644 132 HB3 LEU 20 HB3 LEU 20 4.554 -4.698 -11.906 133 HG LEU 20 HG LEU 20 2.760 -5.330 -13.523 134 HD11 LEU 20 1HD1 LEU 20 2.872 -3.738 -15.618 135 HD12 LEU 20 2HD1 LEU 20 3.232 -2.526 -14.390 136 HD13 LEU 20 3HD1 LEU 20 1.731 -3.447 -14.305 137 HD21 LEU 20 3HD2 LEU 20 5.320 -5.626 -13.807 138 HD22 LEU 20 1HD2 LEU 20 5.152 -4.386 -15.050 139 HD23 LEU 20 2HD2 LEU 20 4.260 -5.901 -15.190 140 H CYS 21 H CYS 21 4.082 -1.304 -10.987 141 HA CYS 21 HA CYS 21 1.868 0.432 -11.681 142 HB2 CYS 21 HB2 CYS 21 4.426 0.696 -10.249 143 HB3 CYS 21 HB3 CYS 21 3.981 2.103 -11.210 144 H THR 22 H THR 22 1.566 1.347 -13.599 145 HA THR 22 HA THR 22 3.806 1.987 -15.324 146 HB THR 22 HB THR 22 1.935 -0.248 -15.900 147 HG1 THR 22 HG1 THR 22 4.315 -0.330 -15.517 148 HG21 THR 22 3HG2 THR 22 2.844 1.745 -17.973 149 HG22 THR 22 1HG2 THR 22 1.194 1.243 -17.609 150 HG23 THR 22 2HG2 THR 22 2.314 0.109 -18.365 151 HA PRO 23 HA PRO 23 4.188 2.854 -17.254 152 HB2 PRO 23 HB2 PRO 23 4.943 5.440 -17.590 153 HB3 PRO 23 HB3 PRO 23 3.953 4.568 -18.766 154 HG2 PRO 23 2HG PRO 23 3.109 6.501 -16.641 155 HG3 PRO 23 3HG PRO 23 2.559 6.376 -18.322 156 HD2 PRO 23 2HD PRO 23 1.130 5.390 -16.244 157 HD3 PRO 23 3HD PRO 23 1.118 4.639 -17.853 158 HA PRO 24 HA PRO 24 6.720 3.453 -13.710 159 HB2 PRO 24 HB2 PRO 24 9.136 4.084 -14.776 160 HB3 PRO 24 HB3 PRO 24 8.440 2.462 -14.867 161 HG2 PRO 24 2HG PRO 24 8.472 4.628 -16.933 162 HG3 PRO 24 3HG PRO 24 8.767 2.891 -17.129 163 HD2 PRO 24 2HD PRO 24 6.398 4.045 -17.752 164 HD3 PRO 24 3HD PRO 24 6.519 2.382 -17.143 165 H ILE 25 H ILE 25 6.048 6.052 -15.775 166 HA ILE 25 HA ILE 25 7.272 7.966 -13.899 167 HB ILE 25 HB ILE 25 6.946 9.628 -15.801 168 HG12 ILE 25 2HG1 ILE 25 7.082 7.377 -17.719 169 HG13 ILE 25 3HG1 ILE 25 5.512 7.657 -16.974 170 HG21 ILE 25 1HG2 ILE 25 9.148 9.054 -15.350 171 HG22 ILE 25 2HG2 ILE 25 8.913 7.374 -15.830 172 HG23 ILE 25 3HG2 ILE 25 8.978 8.640 -17.056 173 HD11 ILE 25 3HD1 ILE 25 5.795 8.809 -19.131 174 HD12 ILE 25 1HD1 ILE 25 5.475 9.914 -17.794 175 HD13 ILE 25 2HD1 ILE 25 7.113 9.747 -18.428 176 H ILE 26 H ILE 26 5.588 8.071 -12.427 177 HA ILE 26 HA ILE 26 3.565 8.660 -11.550 178 HB ILE 26 HB ILE 26 3.668 10.671 -13.801 179 HG12 ILE 26 2HG1 ILE 26 4.350 12.101 -11.675 180 HG13 ILE 26 3HG1 ILE 26 4.881 10.534 -11.075 181 HG21 ILE 26 1HG2 ILE 26 1.659 11.340 -13.139 182 HG22 ILE 26 2HG2 ILE 26 1.632 10.104 -11.882 183 HG23 ILE 26 3HG2 ILE 26 2.324 11.691 -11.544 184 HD11 ILE 26 3HD1 ILE 26 6.484 10.309 -12.749 185 HD12 ILE 26 1HD1 ILE 26 5.744 11.555 -13.753 186 HD13 ILE 26 2HD1 ILE 26 6.587 12.003 -12.269 187 H GLY 27 H GLY 27 2.488 6.708 -12.078 188 HA2 GLY 27 2HA GLY 27 0.357 7.104 -14.052 189 HA3 GLY 27 3HA GLY 27 1.358 5.666 -14.197 190 H PHE 28 H PHE 28 -0.443 4.316 -13.880 191 HA PHE 28 HA PHE 28 -1.294 4.151 -11.069 192 HB2 PHE 28 HB2 PHE 28 -3.099 3.618 -13.436 193 HB3 PHE 28 HB3 PHE 28 -3.549 3.586 -11.734 194 HD1 PHE 28 HD1 PHE 28 -3.356 5.769 -10.423 195 HD2 PHE 28 HD2 PHE 28 -3.294 5.572 -14.674 196 HE1 PHE 28 HE1 PHE 28 -3.967 8.150 -10.539 197 HE2 PHE 28 HE2 PHE 28 -3.903 7.952 -14.798 198 HZ PHE 28 HZ PHE 28 -4.240 9.245 -12.729 199 H CYS 29 H CYS 29 -1.424 2.122 -10.205 200 HA CYS 29 HA CYS 29 -0.002 0.043 -11.557 201 HB2 CYS 29 HB2 CYS 29 -0.139 0.588 -9.004 202 HB3 CYS 29 HB3 CYS 29 -1.589 -0.410 -9.052 203 H LEU 30 H LEU 30 -0.779 -1.524 -12.805 204 HA LEU 30 HA LEU 30 -3.564 -2.366 -12.511 205 HB2 LEU 30 HB2 LEU 30 -3.960 -2.255 -14.903 206 HB3 LEU 30 HB3 LEU 30 -3.578 -0.663 -14.251 207 HG LEU 30 HG LEU 30 -1.443 -2.315 -15.546 208 HD11 LEU 30 1HD1 LEU 30 -3.158 -0.394 -17.084 209 HD12 LEU 30 2HD1 LEU 30 -3.514 -2.120 -17.024 210 HD13 LEU 30 3HD1 LEU 30 -1.982 -1.558 -17.693 211 HD21 LEU 30 3HD2 LEU 30 -1.908 0.563 -14.885 212 HD22 LEU 30 1HD2 LEU 30 -0.809 0.123 -16.193 213 HD23 LEU 30 2HD2 LEU 30 -0.504 -0.453 -14.554 Start of MODEL 17 1 H1 CYS 1 H CYS 1 1.671 -0.618 0.755 2 HA CYS 1 HA CYS 1 2.875 0.699 -1.178 3 HB2 CYS 1 HB2 CYS 1 3.175 -1.497 -2.447 4 HB3 CYS 1 HB3 CYS 1 3.651 -1.493 -0.752 5 H ILE 2 H ILE 2 0.980 2.109 -1.826 6 HA ILE 2 HA ILE 2 -0.355 2.915 -3.483 7 HB ILE 2 HB ILE 2 0.697 0.605 -5.119 8 HG12 ILE 2 2HG1 ILE 2 2.499 2.030 -4.207 9 HG13 ILE 2 3HG1 ILE 2 2.367 2.172 -5.957 10 HG21 ILE 2 1HG2 ILE 2 0.189 2.227 -7.009 11 HG22 ILE 2 2HG2 ILE 2 -1.192 1.464 -6.222 12 HG23 ILE 2 3HG2 ILE 2 -0.765 3.130 -5.832 13 HD11 ILE 2 3HD1 ILE 2 0.719 4.168 -4.867 14 HD12 ILE 2 1HD1 ILE 2 2.234 4.207 -3.966 15 HD13 ILE 2 2HD1 ILE 2 2.249 4.364 -5.723 16 H ALA 3 H ALA 3 -2.449 2.727 -3.026 17 HA ALA 3 HA ALA 3 -3.806 0.349 -2.452 18 HB1 ALA 3 1HB ALA 3 -4.794 3.066 -3.280 19 HB2 ALA 3 HB2 ALA 3 -5.880 1.744 -2.852 20 HB3 ALA 3 HB3 ALA 3 -4.739 2.368 -1.661 21 H HIS 4 H HIS 4 -5.605 -0.612 -3.662 22 HA HIS 4 HA HIS 4 -4.873 -1.604 -6.124 23 HB2 HIS 4 HB2 HIS 4 -7.362 -1.529 -4.547 24 HB3 HIS 4 HB3 HIS 4 -7.588 -1.783 -6.275 25 HD1 HIS 4 HD1 HIS 4 -5.481 -3.267 -3.471 26 HD2 HIS 4 HD2 HIS 4 -7.390 -4.381 -6.989 27 HE1 HIS 4 HE1 HIS 4 -5.177 -5.757 -3.642 28 H TYR 5 H TYR 5 -4.671 -0.699 -8.053 29 HA TYR 5 HA TYR 5 -4.925 0.691 -9.834 30 HB2 TYR 5 HB2 TYR 5 -7.678 1.382 -8.840 31 HB3 TYR 5 HB3 TYR 5 -7.106 1.260 -10.500 32 HD1 TYR 5 HD1 TYR 5 -5.729 -1.385 -10.373 33 HD2 TYR 5 HD2 TYR 5 -9.477 -0.120 -8.805 34 HE1 TYR 5 HE1 TYR 5 -6.552 -3.700 -10.488 35 HE2 TYR 5 HE2 TYR 5 -10.309 -2.432 -8.914 36 HH TYR 5 HH TYR 5 -8.200 -5.104 -9.831 37 H GLY 6 H GLY 6 -3.782 1.739 -7.432 38 HA2 GLY 6 2HA GLY 6 -4.784 4.491 -7.305 39 HA3 GLY 6 3HA GLY 6 -3.633 3.759 -6.198 40 H LYS 7 H LYS 7 -3.137 6.246 -7.198 41 HA LYS 7 HA LYS 7 -1.560 6.220 -9.565 42 HB2 LYS 7 HB2 LYS 7 -2.511 8.160 -7.702 43 HB3 LYS 7 HB3 LYS 7 -0.773 8.370 -7.869 44 HG2 LYS 7 2HG LYS 7 -1.787 8.018 -10.468 45 HG3 LYS 7 3HG LYS 7 -2.866 9.150 -9.648 46 HD2 LYS 7 2HD LYS 7 -1.061 10.343 -10.761 47 HD3 LYS 7 3HD LYS 7 -0.928 10.516 -9.009 48 HE2 LYS 7 2HE LYS 7 0.821 8.881 -8.920 49 HE3 LYS 7 3HE LYS 7 0.597 8.476 -10.621 50 HZ1 LYS 7 3HZ LYS 7 2.339 9.892 -10.802 51 HZ2 LYS 7 1HZ LYS 7 1.932 10.777 -9.419 52 HZ3 LYS 7 2HZ LYS 7 1.098 11.041 -10.866 53 H CYS 8 H CYS 8 0.712 6.448 -9.761 54 HA CYS 8 HA CYS 8 2.219 5.394 -7.457 55 HB2 CYS 8 HB2 CYS 8 1.953 4.331 -10.072 56 HB3 CYS 8 HB3 CYS 8 3.602 4.928 -9.922 57 H ASP 9 H ASP 9 4.319 6.188 -7.110 58 HA ASP 9 HA ASP 9 4.662 8.944 -7.793 59 HB2 ASP 9 HB2 ASP 9 5.393 8.284 -5.626 60 HB3 ASP 9 HB3 ASP 9 6.366 6.969 -6.278 61 H GLY 10 H GLY 10 6.073 5.906 -8.859 62 HA2 GLY 10 2HA GLY 10 6.778 5.897 -11.233 63 HA3 GLY 10 3HA GLY 10 7.583 7.422 -10.898 64 H ILE 11 H ILE 11 9.247 7.288 -9.079 65 HA ILE 11 HA ILE 11 11.267 5.508 -9.821 66 HB ILE 11 HB ILE 11 11.184 7.735 -8.262 67 HG12 ILE 11 2HG1 ILE 11 13.122 6.993 -9.513 68 HG13 ILE 11 3HG1 ILE 11 13.598 7.297 -7.846 69 HG21 ILE 11 1HG2 ILE 11 10.334 6.319 -6.374 70 HG22 ILE 11 2HG2 ILE 11 11.895 5.501 -6.374 71 HG23 ILE 11 3HG2 ILE 11 11.804 7.226 -6.021 72 HD11 ILE 11 3HD1 ILE 11 13.474 4.883 -7.401 73 HD12 ILE 11 1HD1 ILE 11 13.082 4.612 -9.099 74 HD13 ILE 11 2HD1 ILE 11 14.648 5.290 -8.652 75 H ILE 12 H ILE 12 8.655 5.163 -7.572 76 HA ILE 12 HA ILE 12 9.834 2.754 -6.405 77 HB ILE 12 HB ILE 12 7.253 4.164 -5.717 78 HG12 ILE 12 2HG1 ILE 12 9.076 4.247 -3.574 79 HG13 ILE 12 3HG1 ILE 12 10.003 4.679 -5.007 80 HG21 ILE 12 1HG2 ILE 12 8.680 1.882 -4.358 81 HG22 ILE 12 2HG2 ILE 12 7.284 2.739 -3.706 82 HG23 ILE 12 3HG2 ILE 12 7.130 1.805 -5.194 83 HD11 ILE 12 3HD1 ILE 12 8.507 6.480 -5.500 84 HD12 ILE 12 1HD1 ILE 12 7.420 5.990 -4.200 85 HD13 ILE 12 2HD1 ILE 12 9.027 6.613 -3.820 86 H ASN 13 H ASN 13 9.679 1.222 -8.006 87 HA ASN 13 HA ASN 13 7.136 0.768 -9.334 88 HB2 ASN 13 HB2 ASN 13 9.817 -0.612 -9.582 89 HB3 ASN 13 HB3 ASN 13 8.395 -1.032 -10.533 90 HD21 ASN 13 1HD2 ASN 13 10.455 1.720 -9.697 91 HD22 ASN 13 2HD2 ASN 13 10.356 2.486 -11.242 92 H GLN 14 H GLN 14 8.030 0.136 -6.367 93 HA GLN 14 HA GLN 14 7.508 -2.692 -6.185 94 HB2 GLN 14 HB2 GLN 14 7.924 -0.513 -4.148 95 HB3 GLN 14 HB3 GLN 14 7.464 -2.144 -3.679 96 HG2 GLN 14 2HG GLN 14 9.721 -2.305 -3.485 97 HG3 GLN 14 3HG GLN 14 9.530 -2.799 -5.166 98 HE21 GLN 14 1HE2 GLN 14 10.680 -1.765 -6.641 99 HE22 GLN 14 2HE2 GLN 14 11.498 -0.261 -6.413 100 H CYS 15 H CYS 15 5.414 -2.365 -7.403 101 HA CYS 15 HA CYS 15 3.232 -1.474 -5.657 102 HB2 CYS 15 HB2 CYS 15 3.367 -0.564 -7.980 103 HB3 CYS 15 HB3 CYS 15 3.126 -2.197 -8.592 104 H CYS 16 H CYS 16 2.619 -3.080 -4.339 105 HA CYS 16 HA CYS 16 2.869 -5.805 -4.744 106 HB2 CYS 16 HB2 CYS 16 0.672 -4.449 -3.169 107 HB3 CYS 16 HB3 CYS 16 1.264 -6.092 -2.947 108 H ASP 17 H ASP 17 -0.205 -4.008 -4.982 109 HA ASP 17 HA ASP 17 -0.976 -5.780 -7.199 110 HB2 ASP 17 HB2 ASP 17 -2.348 -5.358 -4.610 111 HB3 ASP 17 HB3 ASP 17 -3.380 -5.343 -6.038 112 HA PRO 18 HA PRO 18 -3.366 -5.927 -7.953 113 HB2 PRO 18 HB2 PRO 18 -3.870 -5.749 -10.614 114 HB3 PRO 18 HB3 PRO 18 -4.957 -5.092 -9.385 115 HG2 PRO 18 2HG PRO 18 -2.907 -3.682 -11.049 116 HG3 PRO 18 3HG PRO 18 -4.555 -3.174 -10.637 117 HD2 PRO 18 2HD PRO 18 -2.371 -2.208 -9.360 118 HD3 PRO 18 3HD PRO 18 -3.936 -2.421 -8.549 119 H TRP 19 H TRP 19 -1.263 -4.480 -10.449 120 HA TRP 19 HA TRP 19 0.361 -6.935 -10.370 121 HB2 TRP 19 HB2 TRP 19 -0.496 -5.363 -12.805 122 HB3 TRP 19 HB3 TRP 19 0.771 -6.586 -12.830 123 HD1 TRP 19 HD1 TRP 19 -2.990 -6.185 -12.809 124 HE1 TRP 19 HE1 TRP 19 -4.091 -8.496 -13.081 125 HE3 TRP 19 HE3 TRP 19 1.150 -9.131 -12.239 126 HZ2 TRP 19 HZ2 TRP 19 -3.309 -11.208 -13.057 127 HZ3 TRP 19 HZ3 TRP 19 0.887 -11.573 -12.378 128 HH2 TRP 19 HH2 TRP 19 -1.297 -12.588 -12.778 129 H LEU 20 H LEU 20 0.969 -4.241 -12.499 130 HA LEU 20 HA LEU 20 3.143 -3.326 -10.744 131 HB2 LEU 20 HB2 LEU 20 4.384 -2.939 -12.999 132 HB3 LEU 20 HB3 LEU 20 4.403 -4.526 -12.233 133 HG LEU 20 HG LEU 20 2.586 -5.231 -13.778 134 HD11 LEU 20 1HD1 LEU 20 1.446 -3.445 -14.583 135 HD12 LEU 20 2HD1 LEU 20 2.611 -3.617 -15.895 136 HD13 LEU 20 3HD1 LEU 20 2.874 -2.411 -14.636 137 HD21 LEU 20 3HD2 LEU 20 4.055 -5.838 -15.421 138 HD22 LEU 20 1HD2 LEU 20 5.191 -5.339 -14.168 139 HD23 LEU 20 2HD2 LEU 20 4.806 -4.244 -15.496 140 H CYS 21 H CYS 21 3.936 -1.155 -11.273 141 HA CYS 21 HA CYS 21 1.714 0.573 -12.010 142 HB2 CYS 21 HB2 CYS 21 4.280 0.917 -10.534 143 HB3 CYS 21 HB3 CYS 21 3.594 2.331 -11.328 144 H THR 22 H THR 22 1.520 1.508 -13.931 145 HA THR 22 HA THR 22 3.905 2.077 -15.523 146 HB THR 22 HB THR 22 1.748 0.172 -16.284 147 HG1 THR 22 HG1 THR 22 4.035 -0.342 -15.812 148 HG21 THR 22 3HG2 THR 22 1.323 1.838 -17.931 149 HG22 THR 22 1HG2 THR 22 2.311 0.601 -18.708 150 HG23 THR 22 2HG2 THR 22 3.045 2.117 -18.187 151 HA PRO 23 HA PRO 23 4.475 3.037 -17.337 152 HB2 PRO 23 HB2 PRO 23 5.559 5.524 -17.440 153 HB3 PRO 23 HB3 PRO 23 4.522 4.874 -18.716 154 HG2 PRO 23 2HG PRO 23 3.829 6.736 -16.476 155 HG3 PRO 23 3HG PRO 23 3.343 6.806 -18.180 156 HD2 PRO 23 2HD PRO 23 1.712 5.857 -16.239 157 HD3 PRO 23 3HD PRO 23 1.679 5.235 -17.901 158 HA PRO 24 HA PRO 24 6.918 3.058 -13.681 159 HB2 PRO 24 HB2 PRO 24 9.430 3.512 -14.604 160 HB3 PRO 24 HB3 PRO 24 8.571 1.989 -14.865 161 HG2 PRO 24 2HG PRO 24 8.921 4.308 -16.725 162 HG3 PRO 24 3HG PRO 24 9.039 2.573 -17.067 163 HD2 PRO 24 2HD PRO 24 6.835 4.028 -17.662 164 HD3 PRO 24 3HD PRO 24 6.752 2.316 -17.201 165 H ILE 25 H ILE 25 6.312 5.862 -15.305 166 HA ILE 25 HA ILE 25 7.953 7.501 -13.495 167 HB ILE 25 HB ILE 25 6.841 9.284 -15.244 168 HG12 ILE 25 2HG1 ILE 25 7.595 6.861 -16.884 169 HG13 ILE 25 3HG1 ILE 25 5.931 7.315 -16.534 170 HG21 ILE 25 1HG2 ILE 25 9.261 8.824 -14.439 171 HG22 ILE 25 2HG2 ILE 25 9.403 7.909 -15.939 172 HG23 ILE 25 3HG2 ILE 25 9.006 9.626 -15.988 173 HD11 ILE 25 3HD1 ILE 25 6.202 8.270 -18.581 174 HD12 ILE 25 1HD1 ILE 25 6.695 9.612 -17.549 175 HD13 ILE 25 2HD1 ILE 25 7.915 8.602 -18.325 176 H ILE 26 H ILE 26 4.776 7.809 -15.092 177 HA ILE 26 HA ILE 26 3.519 8.305 -12.514 178 HB ILE 26 HB ILE 26 3.544 10.344 -14.736 179 HG12 ILE 26 2HG1 ILE 26 4.034 11.728 -12.497 180 HG13 ILE 26 3HG1 ILE 26 4.655 10.164 -11.982 181 HG21 ILE 26 1HG2 ILE 26 2.041 11.443 -12.741 182 HG22 ILE 26 2HG2 ILE 26 1.398 10.703 -14.206 183 HG23 ILE 26 3HG2 ILE 26 1.509 9.762 -12.719 184 HD11 ILE 26 3HD1 ILE 26 5.619 10.793 -14.607 185 HD12 ILE 26 1HD1 ILE 26 5.965 12.112 -13.490 186 HD13 ILE 26 2HD1 ILE 26 6.520 10.479 -13.124 187 H GLY 27 H GLY 27 1.657 7.239 -12.443 188 HA2 GLY 27 2HA GLY 27 -0.353 7.329 -14.384 189 HA3 GLY 27 3HA GLY 27 0.593 5.876 -14.674 190 H PHE 28 H PHE 28 -1.046 4.453 -14.144 191 HA PHE 28 HA PHE 28 -1.684 4.334 -11.275 192 HB2 PHE 28 HB2 PHE 28 -3.608 3.785 -13.546 193 HB3 PHE 28 HB3 PHE 28 -3.955 3.553 -11.835 194 HD1 PHE 28 HD2 PHE 28 -3.769 5.624 -10.321 195 HD2 PHE 28 HD1 PHE 28 -4.062 5.812 -14.563 196 HE1 PHE 28 HE2 PHE 28 -4.540 7.955 -10.161 197 HE2 PHE 28 HE1 PHE 28 -4.832 8.144 -14.410 198 HZ PHE 28 HZ PHE 28 -5.073 9.218 -12.207 199 H CYS 29 H CYS 29 -1.719 2.314 -10.359 200 HA CYS 29 HA CYS 29 -0.272 0.264 -11.724 201 HB2 CYS 29 HB2 CYS 29 -0.389 0.862 -9.165 202 HB3 CYS 29 HB3 CYS 29 -1.756 -0.247 -9.174 203 H LEU 30 H LEU 30 -1.015 -1.395 -12.877 204 HA LEU 30 HA LEU 30 -3.756 -2.327 -12.493 205 HB2 LEU 30 HB2 LEU 30 -2.619 -1.379 -15.114 206 HB3 LEU 30 HB3 LEU 30 -4.068 -2.374 -14.983 207 HG LEU 30 HG LEU 30 -4.428 -0.121 -13.303 208 HD11 LEU 30 1HD1 LEU 30 -3.846 0.793 -16.091 209 HD12 LEU 30 2HD1 LEU 30 -2.575 0.766 -14.870 210 HD13 LEU 30 3HD1 LEU 30 -4.020 1.743 -14.615 211 HD21 LEU 30 3HD2 LEU 30 -5.643 -0.643 -16.009 212 HD22 LEU 30 1HD2 LEU 30 -6.351 0.236 -14.654 213 HD23 LEU 30 2HD2 LEU 30 -6.113 -1.508 -14.545 Start of MODEL 18 1 H1 CYS 1 H CYS 1 1.849 0.952 0.474 2 HA CYS 1 HA CYS 1 2.988 0.748 -1.484 3 HB2 CYS 1 HB2 CYS 1 2.902 -1.549 -2.601 4 HB3 CYS 1 HB3 CYS 1 3.525 -1.490 -0.956 5 H ILE 2 H ILE 2 0.884 2.237 -1.830 6 HA ILE 2 HA ILE 2 -0.523 3.095 -3.400 7 HB ILE 2 HB ILE 2 0.460 0.894 -5.217 8 HG12 ILE 2 2HG1 ILE 2 2.341 2.184 -4.283 9 HG13 ILE 2 3HG1 ILE 2 2.136 2.493 -6.004 10 HG21 ILE 2 1HG2 ILE 2 -1.439 1.882 -6.186 11 HG22 ILE 2 2HG2 ILE 2 -0.956 3.501 -5.681 12 HG23 ILE 2 3HG2 ILE 2 -0.066 2.674 -6.958 13 HD11 ILE 2 3HD1 ILE 2 2.135 4.652 -5.543 14 HD12 ILE 2 1HD1 ILE 2 0.600 4.429 -4.705 15 HD13 ILE 2 2HD1 ILE 2 2.117 4.331 -3.809 16 H ALA 3 H ALA 3 -2.624 2.873 -3.051 17 HA ALA 3 HA ALA 3 -3.918 0.477 -2.411 18 HB1 ALA 3 1HB ALA 3 -4.608 3.005 -2.110 19 HB2 ALA 3 HB2 ALA 3 -5.490 2.699 -3.607 20 HB3 ALA 3 HB3 ALA 3 -5.818 1.723 -2.176 21 H HIS 4 H HIS 4 -5.684 -0.569 -3.603 22 HA HIS 4 HA HIS 4 -4.903 -1.622 -6.026 23 HB2 HIS 4 HB2 HIS 4 -7.372 -1.597 -4.440 24 HB3 HIS 4 HB3 HIS 4 -7.641 -1.827 -6.165 25 HD1 HIS 4 HD1 HIS 4 -5.617 -3.361 -3.343 26 HD2 HIS 4 HD2 HIS 4 -7.249 -4.375 -7.027 27 HE1 HIS 4 HE1 HIS 4 -5.240 -5.835 -3.588 28 H TYR 5 H TYR 5 -4.707 -0.777 -7.982 29 HA TYR 5 HA TYR 5 -4.977 0.549 -9.809 30 HB2 TYR 5 HB2 TYR 5 -7.757 1.204 -8.868 31 HB3 TYR 5 HB3 TYR 5 -7.164 1.032 -10.517 32 HD1 TYR 5 HD1 TYR 5 -5.734 -1.568 -10.297 33 HD2 TYR 5 HD2 TYR 5 -9.511 -0.343 -8.769 34 HE1 TYR 5 HE1 TYR 5 -6.499 -3.906 -10.331 35 HE2 TYR 5 HE2 TYR 5 -10.286 -2.676 -8.797 36 HH TYR 5 HH TYR 5 -8.112 -5.326 -9.620 37 H GLY 6 H GLY 6 -3.896 1.703 -7.421 38 HA2 GLY 6 2HA GLY 6 -4.960 4.437 -7.426 39 HA3 GLY 6 3HA GLY 6 -3.838 3.770 -6.248 40 H LYS 7 H LYS 7 -3.270 6.199 -7.231 41 HA LYS 7 HA LYS 7 -1.669 6.174 -9.580 42 HB2 LYS 7 HB2 LYS 7 -2.745 8.127 -7.973 43 HB3 LYS 7 HB3 LYS 7 -1.030 8.241 -7.600 44 HG2 LYS 7 2HG LYS 7 -1.576 8.043 -10.456 45 HG3 LYS 7 3HG LYS 7 -2.299 9.462 -9.694 46 HD2 LYS 7 2HD LYS 7 0.598 8.659 -9.432 47 HD3 LYS 7 3HD LYS 7 -0.011 9.866 -10.567 48 HE2 LYS 7 2HE LYS 7 -1.087 10.745 -8.234 49 HE3 LYS 7 3HE LYS 7 0.426 10.041 -7.665 50 HZ1 LYS 7 3HZ LYS 7 0.007 12.305 -9.492 51 HZ2 LYS 7 1HZ LYS 7 1.427 11.393 -9.616 52 HZ3 LYS 7 2HZ LYS 7 1.049 12.177 -8.166 53 H CYS 8 H CYS 8 0.615 6.393 -9.742 54 HA CYS 8 HA CYS 8 2.075 5.252 -7.450 55 HB2 CYS 8 HB2 CYS 8 1.784 4.142 -9.967 56 HB3 CYS 8 HB3 CYS 8 3.360 4.920 -10.053 57 H ASP 9 H ASP 9 4.305 5.901 -7.219 58 HA ASP 9 HA ASP 9 4.648 8.717 -7.726 59 HB2 ASP 9 HB2 ASP 9 5.380 8.006 -5.592 60 HB3 ASP 9 HB3 ASP 9 6.277 6.647 -6.264 61 H GLY 10 H GLY 10 5.817 5.720 -9.055 62 HA2 GLY 10 2HA GLY 10 6.606 5.723 -11.345 63 HA3 GLY 10 3HA GLY 10 7.360 7.279 -11.027 64 H ILE 11 H ILE 11 9.064 7.214 -9.246 65 HA ILE 11 HA ILE 11 11.130 5.497 -10.021 66 HB ILE 11 HB ILE 11 11.007 7.739 -8.488 67 HG12 ILE 11 2HG1 ILE 11 12.941 7.048 -9.774 68 HG13 ILE 11 3HG1 ILE 11 13.444 7.387 -8.121 69 HG21 ILE 11 1HG2 ILE 11 11.697 7.281 -6.256 70 HG22 ILE 11 2HG2 ILE 11 10.248 6.325 -6.563 71 HG23 ILE 11 3HG2 ILE 11 11.834 5.555 -6.588 72 HD11 ILE 11 3HD1 ILE 11 13.408 4.974 -7.648 73 HD12 ILE 11 1HD1 ILE 11 12.990 4.672 -9.334 74 HD13 ILE 11 2HD1 ILE 11 14.542 5.406 -8.928 75 H ILE 12 H ILE 12 8.587 5.094 -7.702 76 HA ILE 12 HA ILE 12 9.873 2.726 -6.558 77 HB ILE 12 HB ILE 12 7.306 4.106 -5.766 78 HG12 ILE 12 2HG1 ILE 12 9.385 4.094 -3.772 79 HG13 ILE 12 3HG1 ILE 12 9.995 4.795 -5.267 80 HG21 ILE 12 1HG2 ILE 12 7.575 2.674 -3.699 81 HG22 ILE 12 2HG2 ILE 12 7.087 1.833 -5.169 82 HG23 ILE 12 3HG2 ILE 12 8.758 1.740 -4.613 83 HD11 ILE 12 3HD1 ILE 12 8.311 5.960 -3.293 84 HD12 ILE 12 1HD1 ILE 12 9.016 6.698 -4.731 85 HD13 ILE 12 2HD1 ILE 12 7.445 5.900 -4.828 86 H ASN 13 H ASN 13 9.660 1.082 -7.990 87 HA ASN 13 HA ASN 13 7.116 0.613 -9.316 88 HB2 ASN 13 HB2 ASN 13 9.771 -0.828 -9.481 89 HB3 ASN 13 HB3 ASN 13 8.346 -1.267 -10.418 90 HD21 ASN 13 1HD2 ASN 13 10.471 1.472 -9.711 91 HD22 ASN 13 2HD2 ASN 13 10.389 2.167 -11.291 92 H GLN 14 H GLN 14 7.980 0.120 -6.316 93 HA GLN 14 HA GLN 14 7.415 -2.686 -5.990 94 HB2 GLN 14 HB2 GLN 14 7.747 -0.430 -4.011 95 HB3 GLN 14 HB3 GLN 14 7.429 -2.095 -3.540 96 HG2 GLN 14 2HG GLN 14 9.692 -2.068 -3.362 97 HG3 GLN 14 3HG GLN 14 9.533 -2.569 -5.045 98 HE21 GLN 14 1HE2 GLN 14 10.100 -1.160 -6.674 99 HE22 GLN 14 2HE2 GLN 14 10.977 0.300 -6.384 100 H CYS 15 H CYS 15 5.336 -2.404 -7.239 101 HA CYS 15 HA CYS 15 3.154 -1.423 -5.536 102 HB2 CYS 15 HB2 CYS 15 3.354 -0.560 -7.889 103 HB3 CYS 15 HB3 CYS 15 3.021 -2.193 -8.455 104 H CYS 16 H CYS 16 2.545 -3.021 -4.197 105 HA CYS 16 HA CYS 16 2.752 -5.740 -4.538 106 HB2 CYS 16 HB2 CYS 16 0.619 -5.758 -2.998 107 HB3 CYS 16 HB3 CYS 16 2.155 -5.152 -2.386 108 H ASP 17 H ASP 17 -0.265 -3.892 -5.016 109 HA ASP 17 HA ASP 17 -0.945 -5.702 -7.222 110 HB2 ASP 17 HB2 ASP 17 -2.329 -5.463 -4.663 111 HB3 ASP 17 HB3 ASP 17 -3.394 -5.180 -6.038 112 HA PRO 18 HA PRO 18 -3.276 -5.891 -8.099 113 HB2 PRO 18 HB2 PRO 18 -3.646 -5.698 -10.782 114 HB3 PRO 18 HB3 PRO 18 -4.810 -5.078 -9.604 115 HG2 PRO 18 2HG PRO 18 -2.710 -3.605 -11.148 116 HG3 PRO 18 3HG PRO 18 -4.389 -3.139 -10.817 117 HD2 PRO 18 2HD PRO 18 -2.297 -2.137 -9.421 118 HD3 PRO 18 3HD PRO 18 -3.895 -2.393 -8.693 119 H TRP 19 H TRP 19 -1.093 -4.380 -10.488 120 HA TRP 19 HA TRP 19 0.616 -6.767 -10.304 121 HB2 TRP 19 HB2 TRP 19 -0.225 -5.316 -12.819 122 HB3 TRP 19 HB3 TRP 19 1.080 -6.498 -12.758 123 HD1 TRP 19 HD1 TRP 19 -2.690 -6.219 -12.871 124 HE1 TRP 19 HE1 TRP 19 -3.709 -8.572 -13.090 125 HE3 TRP 19 HE3 TRP 19 1.519 -9.005 -12.061 126 HZ2 TRP 19 HZ2 TRP 19 -2.843 -11.255 -12.939 127 HZ3 TRP 19 HZ3 TRP 19 1.338 -11.458 -12.115 128 HH2 TRP 19 HH2 TRP 19 -0.799 -12.558 -12.544 129 H LEU 20 H LEU 20 1.185 -4.144 -12.522 130 HA LEU 20 HA LEU 20 3.230 -3.034 -10.728 131 HB2 LEU 20 HB2 LEU 20 4.563 -2.734 -12.955 132 HB3 LEU 20 HB3 LEU 20 4.634 -4.249 -12.058 133 HG LEU 20 HG LEU 20 3.091 -5.282 -13.611 134 HD11 LEU 20 1HD1 LEU 20 2.705 -3.776 -15.763 135 HD12 LEU 20 2HD1 LEU 20 2.775 -2.492 -14.557 136 HD13 LEU 20 3HD1 LEU 20 1.582 -3.782 -14.403 137 HD21 LEU 20 3HD2 LEU 20 5.543 -3.943 -14.639 138 HD22 LEU 20 1HD2 LEU 20 4.506 -4.804 -15.778 139 HD23 LEU 20 2HD2 LEU 20 5.205 -5.659 -14.402 140 H CYS 21 H CYS 21 3.967 -0.869 -11.371 141 HA CYS 21 HA CYS 21 1.716 0.738 -12.220 142 HB2 CYS 21 HB2 CYS 21 4.478 1.476 -11.235 143 HB3 CYS 21 HB3 CYS 21 3.236 2.652 -11.653 144 H THR 22 H THR 22 1.403 1.503 -14.200 145 HA THR 22 HA THR 22 3.676 1.989 -15.963 146 HB THR 22 HB THR 22 1.366 0.202 -16.751 147 HG1 THR 22 HG1 THR 22 3.116 -0.758 -15.502 148 HG21 THR 22 3HG2 THR 22 2.271 0.114 -18.933 149 HG22 THR 22 1HG2 THR 22 3.751 0.935 -18.437 150 HG23 THR 22 2HG2 THR 22 2.230 1.826 -18.510 151 HA PRO 23 HA PRO 23 4.111 2.782 -17.894 152 HB2 PRO 23 HB2 PRO 23 5.052 5.296 -18.302 153 HB3 PRO 23 HB3 PRO 23 3.996 4.467 -19.452 154 HG2 PRO 23 2HG PRO 23 3.304 6.514 -17.380 155 HG3 PRO 23 3HG PRO 23 2.739 6.383 -19.055 156 HD2 PRO 23 2HD PRO 23 1.250 5.561 -16.948 157 HD3 PRO 23 3HD PRO 23 1.177 4.770 -18.536 158 HA PRO 24 HA PRO 24 6.594 3.233 -14.291 159 HB2 PRO 24 HB2 PRO 24 9.090 3.337 -15.355 160 HB3 PRO 24 HB3 PRO 24 8.126 1.856 -15.308 161 HG2 PRO 24 2HG PRO 24 8.545 3.773 -17.569 162 HG3 PRO 24 3HG PRO 24 8.538 2.000 -17.592 163 HD2 PRO 24 2HD PRO 24 6.408 3.475 -18.378 164 HD3 PRO 24 3HD PRO 24 6.236 1.883 -17.611 165 H ILE 25 H ILE 25 5.440 5.633 -14.752 166 HA ILE 25 HA ILE 25 7.311 7.460 -13.677 167 HB ILE 25 HB ILE 25 6.793 9.078 -15.779 168 HG12 ILE 25 2HG1 ILE 25 7.471 6.455 -17.092 169 HG13 ILE 25 3HG1 ILE 25 5.803 6.993 -16.928 170 HG21 ILE 25 1HG2 ILE 25 9.029 7.704 -14.679 171 HG22 ILE 25 2HG2 ILE 25 9.186 7.719 -16.434 172 HG23 ILE 25 3HG2 ILE 25 8.994 9.235 -15.554 173 HD11 ILE 25 3HD1 ILE 25 6.653 9.155 -18.064 174 HD12 ILE 25 1HD1 ILE 25 8.007 8.146 -18.571 175 HD13 ILE 25 2HD1 ILE 25 6.362 7.715 -19.039 176 H ILE 26 H ILE 26 5.592 7.589 -12.176 177 HA ILE 26 HA ILE 26 3.661 8.390 -11.264 178 HB ILE 26 HB ILE 26 4.096 10.551 -13.329 179 HG12 ILE 26 2HG1 ILE 26 4.945 11.685 -11.096 180 HG13 ILE 26 3HG1 ILE 26 5.213 10.015 -10.608 181 HG21 ILE 26 1HG2 ILE 26 1.989 11.066 -12.656 182 HG22 ILE 26 2HG2 ILE 26 2.159 10.234 -11.111 183 HG23 ILE 26 3HG2 ILE 26 2.878 11.828 -11.337 184 HD11 ILE 26 3HD1 ILE 26 6.284 11.055 -13.200 185 HD12 ILE 26 1HD1 ILE 26 7.145 11.307 -11.682 186 HD13 ILE 26 2HD1 ILE 26 6.818 9.669 -12.248 187 H GLY 27 H GLY 27 2.382 6.618 -12.032 188 HA2 GLY 27 2HA GLY 27 0.307 7.514 -13.894 189 HA3 GLY 27 3HA GLY 27 1.141 6.012 -14.264 190 H PHE 28 H PHE 28 -0.487 4.572 -13.996 191 HA PHE 28 HA PHE 28 -1.578 4.340 -11.275 192 HB2 PHE 28 HB2 PHE 28 -3.121 3.923 -13.844 193 HB3 PHE 28 HB3 PHE 28 -3.741 3.637 -12.221 194 HD1 PHE 28 HD2 PHE 28 -3.785 5.643 -10.620 195 HD2 PHE 28 HD1 PHE 28 -3.355 6.001 -14.839 196 HE1 PHE 28 HE2 PHE 28 -4.534 7.983 -10.494 197 HE2 PHE 28 HE1 PHE 28 -4.102 8.343 -14.720 198 HZ PHE 28 HZ PHE 28 -4.693 9.336 -12.545 199 H CYS 29 H CYS 29 -1.633 2.319 -10.431 200 HA CYS 29 HA CYS 29 -0.143 0.272 -11.786 201 HB2 CYS 29 HB2 CYS 29 -0.307 0.856 -9.217 202 HB3 CYS 29 HB3 CYS 29 -1.667 -0.260 -9.268 203 H LEU 30 H LEU 30 -0.896 -1.369 -12.959 204 HA LEU 30 HA LEU 30 -3.660 -2.253 -12.625 205 HB2 LEU 30 HB2 LEU 30 -2.459 -1.323 -15.225 206 HB3 LEU 30 HB3 LEU 30 -3.935 -2.281 -15.117 207 HG LEU 30 HG LEU 30 -3.986 0.162 -13.503 208 HD11 LEU 30 1HD1 LEU 30 -4.332 1.637 -15.454 209 HD12 LEU 30 2HD1 LEU 30 -3.768 0.338 -16.504 210 HD13 LEU 30 3HD1 LEU 30 -2.674 1.050 -15.319 211 HD21 LEU 30 3HD2 LEU 30 -6.123 0.291 -15.081 212 HD22 LEU 30 1HD2 LEU 30 -6.056 -0.760 -13.666 213 HD23 LEU 30 2HD2 LEU 30 -5.758 -1.424 -15.273 Start of MODEL 19 1 H1 CYS 1 H CYS 1 0.469 -0.289 0.032 2 HA CYS 1 HA CYS 1 2.910 0.708 -1.229 3 HB2 CYS 1 HB2 CYS 1 3.017 -1.512 -2.518 4 HB3 CYS 1 HB3 CYS 1 3.604 -1.508 -0.858 5 H ILE 2 H ILE 2 0.940 2.173 -1.725 6 HA ILE 2 HA ILE 2 -0.408 3.055 -3.333 7 HB ILE 2 HB ILE 2 0.586 0.809 -5.090 8 HG12 ILE 2 2HG1 ILE 2 2.461 2.091 -4.189 9 HG13 ILE 2 3HG1 ILE 2 2.247 2.443 -5.900 10 HG21 ILE 2 1HG2 ILE 2 0.093 2.548 -6.884 11 HG22 ILE 2 2HG2 ILE 2 -1.291 1.760 -6.127 12 HG23 ILE 2 3HG2 ILE 2 -0.835 3.394 -5.646 13 HD11 ILE 2 3HD1 ILE 2 2.648 4.516 -4.948 14 HD12 ILE 2 1HD1 ILE 2 0.892 4.468 -5.101 15 HD13 ILE 2 2HD1 ILE 2 1.649 4.171 -3.536 16 H ALA 3 H ALA 3 -2.519 2.894 -3.010 17 HA ALA 3 HA ALA 3 -3.895 0.535 -2.396 18 HB1 ALA 3 1HB ALA 3 -5.523 1.956 -1.884 19 HB2 ALA 3 HB2 ALA 3 -4.485 3.260 -2.462 20 HB3 ALA 3 HB3 ALA 3 -5.647 2.508 -3.555 21 H HIS 4 H HIS 4 -5.667 -0.459 -3.619 22 HA HIS 4 HA HIS 4 -4.878 -1.525 -6.033 23 HB2 HIS 4 HB2 HIS 4 -7.357 -1.451 -4.475 24 HB3 HIS 4 HB3 HIS 4 -7.626 -1.638 -6.205 25 HD1 HIS 4 HD1 HIS 4 -5.624 -3.283 -3.427 26 HD2 HIS 4 HD2 HIS 4 -7.352 -4.187 -7.096 27 HE1 HIS 4 HE1 HIS 4 -5.334 -5.765 -3.714 28 H TYR 5 H TYR 5 -4.631 -0.683 -7.985 29 HA TYR 5 HA TYR 5 -4.840 0.653 -9.813 30 HB2 TYR 5 HB2 TYR 5 -7.608 1.393 -8.903 31 HB3 TYR 5 HB3 TYR 5 -7.002 1.207 -10.545 32 HD1 TYR 5 HD1 TYR 5 -5.655 -1.438 -10.315 33 HD2 TYR 5 HD2 TYR 5 -9.411 -0.098 -8.832 34 HE1 TYR 5 HE1 TYR 5 -6.493 -3.750 -10.366 35 HE2 TYR 5 HE2 TYR 5 -10.260 -2.406 -8.878 36 HH TYR 5 HH TYR 5 -8.220 -5.105 -9.328 37 H GLY 6 H GLY 6 -3.743 1.768 -7.418 38 HA2 GLY 6 2HA GLY 6 -4.735 4.525 -7.389 39 HA3 GLY 6 3HA GLY 6 -3.599 3.823 -6.247 40 H LYS 7 H LYS 7 -3.073 6.276 -7.297 41 HA LYS 7 HA LYS 7 -1.475 6.188 -9.648 42 HB2 LYS 7 HB2 LYS 7 -2.477 8.175 -7.908 43 HB3 LYS 7 HB3 LYS 7 -0.727 8.358 -7.917 44 HG2 LYS 7 2HG LYS 7 -1.837 7.976 -10.579 45 HG3 LYS 7 3HG LYS 7 -2.472 9.404 -9.758 46 HD2 LYS 7 2HD LYS 7 0.460 8.753 -10.046 47 HD3 LYS 7 3HD LYS 7 -0.431 9.854 -11.100 48 HE2 LYS 7 2HE LYS 7 -1.087 10.984 -8.821 49 HE3 LYS 7 3HE LYS 7 0.373 10.180 -8.247 50 HZ1 LYS 7 3HZ LYS 7 1.648 11.305 -9.930 51 HZ2 LYS 7 1HZ LYS 7 0.784 12.451 -9.034 52 HZ3 LYS 7 2HZ LYS 7 0.256 12.014 -10.580 53 H CYS 8 H CYS 8 0.801 6.400 -9.827 54 HA CYS 8 HA CYS 8 2.278 5.377 -7.490 55 HB2 CYS 8 HB2 CYS 8 2.050 4.300 -10.115 56 HB3 CYS 8 HB3 CYS 8 3.707 4.857 -9.906 57 H ASP 9 H ASP 9 4.382 6.163 -7.135 58 HA ASP 9 HA ASP 9 4.743 8.909 -7.825 59 HB2 ASP 9 HB2 ASP 9 5.503 7.527 -5.698 60 HB3 ASP 9 HB3 ASP 9 6.965 7.295 -6.653 61 H GLY 10 H GLY 10 6.120 5.868 -8.920 62 HA2 GLY 10 2HA GLY 10 6.798 5.888 -11.309 63 HA3 GLY 10 3HA GLY 10 7.647 7.384 -10.948 64 H ILE 11 H ILE 11 9.322 7.175 -9.154 65 HA ILE 11 HA ILE 11 11.279 5.339 -9.939 66 HB ILE 11 HB ILE 11 11.300 7.560 -8.383 67 HG12 ILE 11 2HG1 ILE 11 13.205 6.725 -9.629 68 HG13 ILE 11 3HG1 ILE 11 13.693 7.023 -7.964 69 HG21 ILE 11 1HG2 ILE 11 11.923 7.025 -6.139 70 HG22 ILE 11 2HG2 ILE 11 10.390 6.225 -6.481 71 HG23 ILE 11 3HG2 ILE 11 11.888 5.296 -6.485 72 HD11 ILE 11 3HD1 ILE 11 13.429 4.605 -7.511 73 HD12 ILE 11 1HD1 ILE 11 13.090 4.360 -9.224 74 HD13 ILE 11 2HD1 ILE 11 14.665 4.971 -8.714 75 H ILE 12 H ILE 12 8.699 5.075 -7.635 76 HA ILE 12 HA ILE 12 9.814 2.631 -6.487 77 HB ILE 12 HB ILE 12 7.356 4.236 -5.797 78 HG12 ILE 12 2HG1 ILE 12 9.859 3.634 -4.206 79 HG13 ILE 12 3HG1 ILE 12 9.572 5.130 -5.090 80 HG21 ILE 12 1HG2 ILE 12 7.710 2.433 -3.757 81 HG22 ILE 12 2HG2 ILE 12 6.492 2.327 -5.026 82 HG23 ILE 12 3HG2 ILE 12 8.020 1.464 -5.197 83 HD11 ILE 12 3HD1 ILE 12 8.279 4.125 -2.599 84 HD12 ILE 12 1HD1 ILE 12 8.996 5.700 -2.938 85 HD13 ILE 12 2HD1 ILE 12 7.433 5.273 -3.636 86 H ASN 13 H ASN 13 9.640 1.147 -8.152 87 HA ASN 13 HA ASN 13 7.068 0.721 -9.433 88 HB2 ASN 13 HB2 ASN 13 9.752 -0.632 -9.772 89 HB3 ASN 13 HB3 ASN 13 8.310 -1.068 -10.684 90 HD21 ASN 13 1HD2 ASN 13 10.296 1.747 -9.862 91 HD22 ASN 13 2HD2 ASN 13 10.158 2.510 -11.406 92 H GLN 14 H GLN 14 8.044 0.017 -6.502 93 HA GLN 14 HA GLN 14 7.504 -2.811 -6.376 94 HB2 GLN 14 HB2 GLN 14 7.960 -0.707 -4.264 95 HB3 GLN 14 HB3 GLN 14 7.596 -2.383 -3.876 96 HG2 GLN 14 2HG GLN 14 9.855 -2.479 -3.794 97 HG3 GLN 14 3HG GLN 14 9.626 -2.825 -5.508 98 HE21 GLN 14 1HE2 GLN 14 10.405 -1.438 -6.999 99 HE22 GLN 14 2HE2 GLN 14 11.271 0.009 -6.624 100 H CYS 15 H CYS 15 5.373 -2.431 -7.511 101 HA CYS 15 HA CYS 15 3.262 -1.537 -5.686 102 HB2 CYS 15 HB2 CYS 15 3.381 -0.688 -8.068 103 HB3 CYS 15 HB3 CYS 15 2.969 -2.319 -8.588 104 H CYS 16 H CYS 16 2.724 -3.141 -4.326 105 HA CYS 16 HA CYS 16 2.934 -5.859 -4.689 106 HB2 CYS 16 HB2 CYS 16 0.888 -5.903 -3.043 107 HB3 CYS 16 HB3 CYS 16 2.443 -5.275 -2.507 108 H ASP 17 H ASP 17 -0.104 -4.016 -5.023 109 HA ASP 17 HA ASP 17 -0.890 -5.840 -7.185 110 HB2 ASP 17 HB2 ASP 17 -3.294 -5.460 -6.046 111 HB3 ASP 17 HB3 ASP 17 -2.252 -6.822 -5.645 112 HA PRO 18 HA PRO 18 -3.267 -6.019 -7.945 113 HB2 PRO 18 HB2 PRO 18 -3.765 -5.855 -10.609 114 HB3 PRO 18 HB3 PRO 18 -4.865 -5.209 -9.385 115 HG2 PRO 18 2HG PRO 18 -2.829 -3.777 -11.047 116 HG3 PRO 18 3HG PRO 18 -4.485 -3.290 -10.642 117 HD2 PRO 18 2HD PRO 18 -2.318 -2.291 -9.361 118 HD3 PRO 18 3HD PRO 18 -3.882 -2.523 -8.554 119 H TRP 19 H TRP 19 -1.178 -4.553 -10.443 120 HA TRP 19 HA TRP 19 0.488 -6.977 -10.340 121 HB2 TRP 19 HB2 TRP 19 -0.403 -5.458 -12.797 122 HB3 TRP 19 HB3 TRP 19 0.883 -6.661 -12.805 123 HD1 TRP 19 HD1 TRP 19 -2.884 -6.319 -12.781 124 HE1 TRP 19 HE1 TRP 19 -3.950 -8.649 -13.016 125 HE3 TRP 19 HE3 TRP 19 1.302 -9.190 -12.177 126 HZ2 TRP 19 HZ2 TRP 19 -3.126 -11.348 -12.952 127 HZ3 TRP 19 HZ3 TRP 19 1.077 -11.638 -12.277 128 HH2 TRP 19 HH2 TRP 19 -1.092 -12.693 -12.656 129 H LEU 20 H LEU 20 1.038 -4.305 -12.511 130 HA LEU 20 HA LEU 20 3.197 -3.321 -10.776 131 HB2 LEU 20 HB2 LEU 20 4.424 -2.944 -13.043 132 HB3 LEU 20 HB3 LEU 20 4.478 -4.517 -12.250 133 HG LEU 20 HG LEU 20 2.728 -5.328 -13.777 134 HD11 LEU 20 1HD1 LEU 20 2.925 -2.534 -14.854 135 HD12 LEU 20 2HD1 LEU 20 1.490 -3.425 -14.348 136 HD13 LEU 20 3HD1 LEU 20 2.328 -3.874 -15.833 137 HD21 LEU 20 3HD2 LEU 20 4.119 -5.352 -15.822 138 HD22 LEU 20 1HD2 LEU 20 5.035 -5.721 -14.360 139 HD23 LEU 20 2HD2 LEU 20 5.158 -4.123 -15.097 140 H CYS 21 H CYS 21 3.950 -1.144 -11.349 141 HA CYS 21 HA CYS 21 1.691 0.531 -12.098 142 HB2 CYS 21 HB2 CYS 21 4.285 0.969 -10.681 143 HB3 CYS 21 HB3 CYS 21 3.504 2.347 -11.451 144 H THR 22 H THR 22 1.464 1.424 -14.034 145 HA THR 22 HA THR 22 3.826 2.007 -15.656 146 HB THR 22 HB THR 22 1.681 0.067 -16.374 147 HG1 THR 22 HG1 THR 22 3.976 -0.418 -15.890 148 HG21 THR 22 3HG2 THR 22 2.967 1.987 -18.308 149 HG22 THR 22 1HG2 THR 22 1.247 1.695 -18.053 150 HG23 THR 22 2HG2 THR 22 2.250 0.454 -18.805 151 HA PRO 23 HA PRO 23 4.376 2.958 -17.472 152 HB2 PRO 23 HB2 PRO 23 5.415 5.463 -17.606 153 HB3 PRO 23 HB3 PRO 23 4.389 4.780 -18.872 154 HG2 PRO 23 2HG PRO 23 3.666 6.655 -16.653 155 HG3 PRO 23 3HG PRO 23 3.177 6.697 -18.357 156 HD2 PRO 23 2HD PRO 23 1.565 5.742 -16.402 157 HD3 PRO 23 3HD PRO 23 1.541 5.101 -18.058 158 HA PRO 24 HA PRO 24 6.830 3.069 -13.826 159 HB2 PRO 24 HB2 PRO 24 9.328 3.580 -14.757 160 HB3 PRO 24 HB3 PRO 24 8.508 2.034 -15.006 161 HG2 PRO 24 2HG PRO 24 8.796 4.350 -16.881 162 HG3 PRO 24 3HG PRO 24 8.957 2.615 -17.212 163 HD2 PRO 24 2HD PRO 24 6.716 4.011 -17.813 164 HD3 PRO 24 3HD PRO 24 6.677 2.300 -17.341 165 H ILE 25 H ILE 25 6.366 5.869 -15.632 166 HA ILE 25 HA ILE 25 7.960 7.568 -13.873 167 HB ILE 25 HB ILE 25 6.185 8.496 -16.122 168 HG12 ILE 25 2HG1 ILE 25 9.092 7.666 -16.259 169 HG13 ILE 25 3HG1 ILE 25 7.742 6.818 -17.005 170 HG21 ILE 25 1HG2 ILE 25 6.923 10.522 -15.600 171 HG22 ILE 25 2HG2 ILE 25 7.730 9.829 -14.194 172 HG23 ILE 25 3HG2 ILE 25 8.599 9.985 -15.720 173 HD11 ILE 25 3HD1 ILE 25 8.037 8.030 -18.824 174 HD12 ILE 25 1HD1 ILE 25 7.621 9.477 -17.906 175 HD13 ILE 25 2HD1 ILE 25 9.304 8.965 -18.030 176 H ILE 26 H ILE 26 4.647 7.856 -15.157 177 HA ILE 26 HA ILE 26 3.571 8.135 -12.482 178 HB ILE 26 HB ILE 26 3.657 10.432 -14.419 179 HG12 ILE 26 2HG1 ILE 26 3.984 11.451 -11.926 180 HG13 ILE 26 3HG1 ILE 26 4.648 9.837 -11.697 181 HG21 ILE 26 1HG2 ILE 26 1.539 9.722 -12.475 182 HG22 ILE 26 2HG2 ILE 26 2.040 11.411 -12.545 183 HG23 ILE 26 3HG2 ILE 26 1.433 10.610 -13.994 184 HD11 ILE 26 3HD1 ILE 26 5.652 10.985 -14.125 185 HD12 ILE 26 1HD1 ILE 26 5.926 12.074 -12.766 186 HD13 ILE 26 2HD1 ILE 26 6.527 10.417 -12.703 187 H GLY 27 H GLY 27 1.835 6.875 -12.518 188 HA2 GLY 27 2HA GLY 27 -0.296 7.311 -14.369 189 HA3 GLY 27 3HA GLY 27 0.571 5.826 -14.731 190 H PHE 28 H PHE 28 -1.010 4.383 -14.201 191 HA PHE 28 HA PHE 28 -1.714 4.261 -11.348 192 HB2 PHE 28 HB2 PHE 28 -3.579 3.693 -13.662 193 HB3 PHE 28 HB3 PHE 28 -3.966 3.469 -11.959 194 HD1 PHE 28 HD2 PHE 28 -3.869 5.536 -10.452 195 HD2 PHE 28 HD1 PHE 28 -3.978 5.726 -14.703 196 HE1 PHE 28 HE2 PHE 28 -4.655 7.864 -10.324 197 HE2 PHE 28 HE1 PHE 28 -4.763 8.055 -14.582 198 HZ PHE 28 HZ PHE 28 -5.104 9.126 -12.391 199 H CYS 29 H CYS 29 -1.738 2.247 -10.427 200 HA CYS 29 HA CYS 29 -0.270 0.199 -11.778 201 HB2 CYS 29 HB2 CYS 29 -0.377 0.817 -9.225 202 HB3 CYS 29 HB3 CYS 29 -1.740 -0.297 -9.218 203 H LEU 30 H LEU 30 -1.003 -1.492 -12.896 204 HA LEU 30 HA LEU 30 -3.730 -2.444 -12.489 205 HB2 LEU 30 HB2 LEU 30 -2.646 -1.411 -15.096 206 HB3 LEU 30 HB3 LEU 30 -4.020 -2.511 -15.011 207 HG LEU 30 HG LEU 30 -4.804 -0.523 -13.317 208 HD11 LEU 30 1HD1 LEU 30 -4.317 1.445 -15.123 209 HD12 LEU 30 2HD1 LEU 30 -2.786 0.571 -15.140 210 HD13 LEU 30 3HD1 LEU 30 -3.418 1.212 -13.623 211 HD21 LEU 30 3HD2 LEU 30 -6.008 0.319 -15.485 212 HD22 LEU 30 1HD2 LEU 30 -6.375 -1.271 -14.815 213 HD23 LEU 30 2HD2 LEU 30 -5.289 -1.126 -16.197 Start of MODEL 20 1 H1 CYS 1 H CYS 1 0.789 -0.748 0.098 2 HA CYS 1 HA CYS 1 3.173 0.373 -1.200 3 HB2 CYS 1 HB2 CYS 1 3.288 -1.792 -2.543 4 HB3 CYS 1 HB3 CYS 1 3.828 -1.877 -0.869 5 H ILE 2 H ILE 2 1.246 1.881 -1.648 6 HA ILE 2 HA ILE 2 -0.127 2.815 -3.204 7 HB ILE 2 HB ILE 2 0.840 0.593 -5.007 8 HG12 ILE 2 2HG1 ILE 2 2.684 1.959 -4.113 9 HG13 ILE 2 3HG1 ILE 2 2.461 2.229 -5.838 10 HG21 ILE 2 1HG2 ILE 2 0.239 2.254 -6.804 11 HG22 ILE 2 2HG2 ILE 2 -1.122 1.530 -5.947 12 HG23 ILE 2 3HG2 ILE 2 -0.608 3.172 -5.558 13 HD11 ILE 2 3HD1 ILE 2 1.144 4.274 -5.248 14 HD12 ILE 2 1HD1 ILE 2 1.657 4.034 -3.578 15 HD13 ILE 2 2HD1 ILE 2 2.858 4.333 -4.835 16 H ALA 3 H ALA 3 -2.223 2.667 -2.779 17 HA ALA 3 HA ALA 3 -3.620 0.307 -2.229 18 HB1 ALA 3 1HB ALA 3 -4.432 2.423 -1.433 19 HB2 ALA 3 HB2 ALA 3 -4.649 3.008 -3.083 20 HB3 ALA 3 HB3 ALA 3 -5.661 1.699 -2.471 21 H HIS 4 H HIS 4 -5.456 -0.595 -3.435 22 HA HIS 4 HA HIS 4 -4.769 -1.573 -5.915 23 HB2 HIS 4 HB2 HIS 4 -7.210 -1.491 -4.289 24 HB3 HIS 4 HB3 HIS 4 -7.514 -1.629 -6.019 25 HD1 HIS 4 HD1 HIS 4 -5.372 -3.363 -3.392 26 HD2 HIS 4 HD2 HIS 4 -7.433 -4.181 -6.905 27 HE1 HIS 4 HE1 HIS 4 -5.170 -5.847 -3.727 28 H TYR 5 H TYR 5 -4.553 -0.648 -7.833 29 HA TYR 5 HA TYR 5 -4.779 0.772 -9.594 30 HB2 TYR 5 HB2 TYR 5 -7.508 1.524 -8.583 31 HB3 TYR 5 HB3 TYR 5 -6.947 1.396 -10.246 32 HD1 TYR 5 HD1 TYR 5 -5.651 -1.280 -10.166 33 HD2 TYR 5 HD2 TYR 5 -9.337 0.066 -8.522 34 HE1 TYR 5 HE1 TYR 5 -6.537 -3.571 -10.292 35 HE2 TYR 5 HE2 TYR 5 -10.233 -2.222 -8.642 36 HH TYR 5 HH TYR 5 -9.244 -4.587 -8.675 37 H GLY 6 H GLY 6 -3.605 1.759 -7.177 38 HA2 GLY 6 2HA GLY 6 -4.551 4.517 -6.959 39 HA3 GLY 6 3HA GLY 6 -3.345 3.749 -5.938 40 H LYS 7 H LYS 7 -2.974 6.288 -6.986 41 HA LYS 7 HA LYS 7 -1.464 6.258 -9.397 42 HB2 LYS 7 HB2 LYS 7 -2.491 8.209 -7.649 43 HB3 LYS 7 HB3 LYS 7 -0.749 8.450 -7.662 44 HG2 LYS 7 2HG LYS 7 -1.895 8.045 -10.316 45 HG3 LYS 7 3HG LYS 7 -2.509 9.473 -9.480 46 HD2 LYS 7 2HD LYS 7 0.417 8.822 -9.820 47 HD3 LYS 7 3HD LYS 7 -0.492 9.909 -10.873 48 HE2 LYS 7 2HE LYS 7 -1.114 11.081 -8.617 49 HE3 LYS 7 3HE LYS 7 0.331 10.263 -8.024 50 HZ1 LYS 7 3HZ LYS 7 0.285 12.655 -9.297 51 HZ2 LYS 7 1HZ LYS 7 0.734 11.594 -10.536 52 HZ3 LYS 7 2HZ LYS 7 1.648 11.670 -9.115 53 H CYS 8 H CYS 8 0.789 6.518 -9.670 54 HA CYS 8 HA CYS 8 2.395 5.596 -7.376 55 HB2 CYS 8 HB2 CYS 8 2.090 4.452 -9.977 56 HB3 CYS 8 HB3 CYS 8 3.747 5.026 -9.813 57 H ASP 9 H ASP 9 4.491 6.446 -7.143 58 HA ASP 9 HA ASP 9 4.746 9.172 -7.996 59 HB2 ASP 9 HB2 ASP 9 5.503 8.100 -5.757 60 HB3 ASP 9 HB3 ASP 9 6.936 7.610 -6.657 61 H GLY 10 H GLY 10 6.007 6.100 -9.023 62 HA2 GLY 10 2HA GLY 10 6.705 6.113 -11.418 63 HA3 GLY 10 3HA GLY 10 7.696 7.504 -11.002 64 H ILE 11 H ILE 11 9.386 7.126 -9.326 65 HA ILE 11 HA ILE 11 11.040 4.979 -10.081 66 HB ILE 11 HB ILE 11 11.430 7.310 -8.698 67 HG12 ILE 11 2HG1 ILE 11 13.086 6.191 -10.090 68 HG13 ILE 11 3HG1 ILE 11 13.783 6.561 -8.516 69 HG21 ILE 11 1HG2 ILE 11 12.011 5.095 -6.744 70 HG22 ILE 11 2HG2 ILE 11 12.207 6.830 -6.501 71 HG23 ILE 11 3HG2 ILE 11 10.592 6.137 -6.645 72 HD11 ILE 11 3HD1 ILE 11 14.436 4.352 -9.288 73 HD12 ILE 11 1HD1 ILE 11 13.459 4.251 -7.823 74 HD13 ILE 11 2HD1 ILE 11 12.740 3.878 -9.390 75 H ILE 12 H ILE 12 8.409 5.090 -7.959 76 HA ILE 12 HA ILE 12 9.325 2.908 -6.273 77 HB ILE 12 HB ILE 12 8.005 4.603 -5.186 78 HG12 ILE 12 2HG1 ILE 12 6.066 2.331 -5.432 79 HG13 ILE 12 3HG1 ILE 12 7.666 2.035 -4.762 80 HG21 ILE 12 1HG2 ILE 12 5.417 4.185 -6.287 81 HG22 ILE 12 2HG2 ILE 12 6.366 5.669 -6.231 82 HG23 ILE 12 3HG2 ILE 12 6.528 4.570 -7.601 83 HD11 ILE 12 3HD1 ILE 12 5.419 2.924 -3.406 84 HD12 ILE 12 1HD1 ILE 12 7.076 2.883 -2.805 85 HD13 ILE 12 2HD1 ILE 12 6.446 4.349 -3.556 86 H ASN 13 H ASN 13 9.574 1.266 -7.849 87 HA ASN 13 HA ASN 13 7.258 0.411 -9.366 88 HB2 ASN 13 HB2 ASN 13 10.064 -0.690 -9.142 89 HB3 ASN 13 HB3 ASN 13 8.814 -1.401 -10.159 90 HD21 ASN 13 1HD2 ASN 13 10.432 1.683 -9.522 91 HD22 ASN 13 2HD2 ASN 13 10.443 2.213 -11.167 92 H GLN 14 H GLN 14 7.907 0.164 -6.252 93 HA GLN 14 HA GLN 14 7.491 -2.666 -5.848 94 HB2 GLN 14 HB2 GLN 14 7.643 -0.330 -3.943 95 HB3 GLN 14 HB3 GLN 14 7.360 -1.985 -3.420 96 HG2 GLN 14 2HG GLN 14 9.611 -1.857 -3.137 97 HG3 GLN 14 3HG GLN 14 9.546 -2.450 -4.796 98 HE21 GLN 14 1HE2 GLN 14 10.218 -1.153 -6.451 99 HE22 GLN 14 2HE2 GLN 14 11.000 0.368 -6.210 100 H CYS 15 H CYS 15 5.460 -2.502 -7.206 101 HA CYS 15 HA CYS 15 3.164 -1.622 -5.593 102 HB2 CYS 15 HB2 CYS 15 3.501 -0.734 -7.964 103 HB3 CYS 15 HB3 CYS 15 3.101 -2.357 -8.517 104 H CYS 16 H CYS 16 2.567 -3.282 -4.326 105 HA CYS 16 HA CYS 16 2.883 -5.996 -4.842 106 HB2 CYS 16 HB2 CYS 16 0.683 -4.741 -3.188 107 HB3 CYS 16 HB3 CYS 16 1.306 -6.381 -3.040 108 H ASP 17 H ASP 17 -0.213 -4.225 -4.974 109 HA ASP 17 HA ASP 17 -0.990 -5.921 -7.248 110 HB2 ASP 17 HB2 ASP 17 -3.388 -5.584 -6.095 111 HB3 ASP 17 HB3 ASP 17 -2.344 -6.955 -5.731 112 HA PRO 18 HA PRO 18 -3.363 -6.060 -8.016 113 HB2 PRO 18 HB2 PRO 18 -3.858 -5.788 -10.671 114 HB3 PRO 18 HB3 PRO 18 -4.957 -5.189 -9.423 115 HG2 PRO 18 2HG PRO 18 -2.916 -3.696 -11.025 116 HG3 PRO 18 3HG PRO 18 -4.571 -3.221 -10.601 117 HD2 PRO 18 2HD PRO 18 -2.403 -2.281 -9.280 118 HD3 PRO 18 3HD PRO 18 -3.968 -2.540 -8.483 119 H TRP 19 H TRP 19 -1.262 -4.497 -10.443 120 HA TRP 19 HA TRP 19 0.391 -6.933 -10.446 121 HB2 TRP 19 HB2 TRP 19 -0.482 -5.295 -12.832 122 HB3 TRP 19 HB3 TRP 19 0.799 -6.503 -12.892 123 HD1 TRP 19 HD1 TRP 19 -2.966 -6.143 -12.867 124 HE1 TRP 19 HE1 TRP 19 -4.043 -8.455 -13.216 125 HE3 TRP 19 HE3 TRP 19 1.203 -9.060 -12.382 126 HZ2 TRP 19 HZ2 TRP 19 -3.231 -11.158 -13.276 127 HZ3 TRP 19 HZ3 TRP 19 0.967 -11.500 -12.598 128 HH2 TRP 19 HH2 TRP 19 -1.205 -12.525 -13.035 129 H LEU 20 H LEU 20 0.982 -4.184 -12.500 130 HA LEU 20 HA LEU 20 3.119 -3.270 -10.700 131 HB2 LEU 20 HB2 LEU 20 4.393 -2.842 -12.931 132 HB3 LEU 20 HB3 LEU 20 4.421 -4.435 -12.179 133 HG LEU 20 HG LEU 20 2.685 -5.185 -13.762 134 HD11 LEU 20 1HD1 LEU 20 2.937 -2.362 -14.733 135 HD12 LEU 20 2HD1 LEU 20 1.482 -3.281 -14.350 136 HD13 LEU 20 3HD1 LEU 20 2.404 -3.656 -15.805 137 HD21 LEU 20 3HD2 LEU 20 4.249 -5.778 -15.256 138 HD22 LEU 20 1HD2 LEU 20 5.359 -4.913 -14.192 139 HD23 LEU 20 2HD2 LEU 20 4.689 -4.106 -15.610 140 H CYS 21 H CYS 21 3.899 -1.084 -11.198 141 HA CYS 21 HA CYS 21 1.668 0.637 -11.898 142 HB2 CYS 21 HB2 CYS 21 4.267 0.972 -10.489 143 HB3 CYS 21 HB3 CYS 21 3.595 2.389 -11.289 144 H THR 22 H THR 22 1.409 1.575 -13.810 145 HA THR 22 HA THR 22 3.737 2.145 -15.483 146 HB THR 22 HB THR 22 1.568 0.227 -16.162 147 HG1 THR 22 HG1 THR 22 3.890 -0.247 -15.798 148 HG21 THR 22 3HG2 THR 22 2.752 2.190 -18.118 149 HG22 THR 22 1HG2 THR 22 1.047 1.895 -17.781 150 HG23 THR 22 2HG2 THR 22 2.009 0.668 -18.607 151 HA PRO 23 HA PRO 23 4.230 3.091 -17.336 152 HB2 PRO 23 HB2 PRO 23 5.311 5.576 -17.500 153 HB3 PRO 23 HB3 PRO 23 4.219 4.921 -18.726 154 HG2 PRO 23 2HG PRO 23 3.625 6.796 -16.469 155 HG3 PRO 23 3HG PRO 23 3.067 6.857 -18.151 156 HD2 PRO 23 2HD PRO 23 1.520 5.922 -16.136 157 HD3 PRO 23 3HD PRO 23 1.415 5.291 -17.792 158 HA PRO 24 HA PRO 24 6.836 3.135 -13.795 159 HB2 PRO 24 HB2 PRO 24 9.303 3.609 -14.826 160 HB3 PRO 24 HB3 PRO 24 8.445 2.079 -15.050 161 HG2 PRO 24 2HG PRO 24 8.696 4.402 -16.922 162 HG3 PRO 24 3HG PRO 24 8.812 2.667 -17.270 163 HD2 PRO 24 2HD PRO 24 6.573 4.106 -17.768 164 HD3 PRO 24 3HD PRO 24 6.524 2.393 -17.305 165 H ILE 25 H ILE 25 6.377 5.956 -15.584 166 HA ILE 25 HA ILE 25 8.040 7.607 -13.838 167 HB ILE 25 HB ILE 25 6.300 8.559 -16.108 168 HG12 ILE 25 2HG1 ILE 25 9.213 7.741 -16.187 169 HG13 ILE 25 3HG1 ILE 25 7.882 6.868 -16.939 170 HG21 ILE 25 1HG2 ILE 25 7.891 9.869 -14.159 171 HG22 ILE 25 2HG2 ILE 25 8.665 10.080 -15.729 172 HG23 ILE 25 3HG2 ILE 25 6.989 10.577 -15.499 173 HD11 ILE 25 3HD1 ILE 25 9.005 9.547 -17.684 174 HD12 ILE 25 1HD1 ILE 25 8.924 8.078 -18.657 175 HD13 ILE 25 2HD1 ILE 25 7.448 8.967 -18.278 176 H ILE 26 H ILE 26 4.659 7.584 -14.983 177 HA ILE 26 HA ILE 26 3.632 8.026 -12.356 178 HB ILE 26 HB ILE 26 2.463 10.237 -13.374 179 HG12 ILE 26 2HG1 ILE 26 4.247 11.640 -14.371 180 HG13 ILE 26 3HG1 ILE 26 5.309 10.237 -14.404 181 HG21 ILE 26 1HG2 ILE 26 3.230 10.893 -11.399 182 HG22 ILE 26 2HG2 ILE 26 4.442 9.612 -11.407 183 HG23 ILE 26 3HG2 ILE 26 4.807 11.176 -12.136 184 HD11 ILE 26 3HD1 ILE 26 4.223 10.795 -16.575 185 HD12 ILE 26 1HD1 ILE 26 3.941 9.148 -16.012 186 HD13 ILE 26 2HD1 ILE 26 2.676 10.366 -15.846 187 H GLY 27 H GLY 27 1.617 7.240 -12.249 188 HA2 GLY 27 2HA GLY 27 -0.429 7.577 -14.096 189 HA3 GLY 27 3HA GLY 27 0.399 6.092 -14.541 190 H PHE 28 H PHE 28 -1.091 4.590 -13.997 191 HA PHE 28 HA PHE 28 -1.793 4.419 -11.147 192 HB2 PHE 28 HB2 PHE 28 -3.656 3.883 -13.470 193 HB3 PHE 28 HB3 PHE 28 -4.035 3.586 -11.777 194 HD1 PHE 28 HD1 PHE 28 -3.950 5.604 -10.192 195 HD2 PHE 28 HD2 PHE 28 -4.122 5.938 -14.431 196 HE1 PHE 28 HE1 PHE 28 -4.780 7.910 -9.973 197 HE2 PHE 28 HE2 PHE 28 -4.952 8.244 -14.219 198 HZ PHE 28 HZ PHE 28 -5.281 9.233 -11.988 199 H CYS 29 H CYS 29 -1.776 2.393 -10.257 200 HA CYS 29 HA CYS 29 -0.287 0.387 -11.648 201 HB2 CYS 29 HB2 CYS 29 -0.381 0.960 -9.088 202 HB3 CYS 29 HB3 CYS 29 -1.740 -0.160 -9.086 203 H LEU 30 H LEU 30 -1.003 -1.285 -12.801 204 HA LEU 30 HA LEU 30 -3.711 -2.290 -12.395 205 HB2 LEU 30 HB2 LEU 30 -4.086 -2.289 -14.871 206 HB3 LEU 30 HB3 LEU 30 -4.114 -0.704 -14.100 207 HG LEU 30 HG LEU 30 -1.524 -0.842 -14.899 208 HD11 LEU 30 1HD1 LEU 30 -2.828 -2.937 -16.288 209 HD12 LEU 30 2HD1 LEU 30 -1.178 -2.348 -16.484 210 HD13 LEU 30 3HD1 LEU 30 -2.481 -1.653 -17.447 211 HD21 LEU 30 3HD2 LEU 30 -2.075 0.880 -16.294 212 HD22 LEU 30 1HD2 LEU 30 -3.529 0.827 -15.298 213 HD23 LEU 30 2HD2 LEU 30 -3.527 0.079 -16.895
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