NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649252 | 6wqr | 30750 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 5.707 1.882 -4.983 2 H2 ALA 1 2HT ALA 1 5.145 3.437 -5.247 3 H3 ALA 1 3HT ALA 1 4.312 2.105 -5.897 4 HA ALA 1 HA ALA 1 3.219 3.007 -3.903 5 HB1 ALA 1 1HB ALA 1 2.987 0.620 -4.454 6 HB2 ALA 1 2HB ALA 1 3.050 0.858 -2.709 7 HB3 ALA 1 3HB ALA 1 4.472 0.268 -3.569 8 H CYS 2 HN CYS 2 3.742 1.990 -1.350 9 HA CYS 2 HA CYS 2 5.519 3.749 -0.190 10 HB2 CYS 2 2HB CYS 2 4.463 1.085 0.765 11 HB3 CYS 2 1HB CYS 2 5.327 2.239 1.770 12 H LYS 3 HN LYS 3 7.515 3.253 0.962 13 HA LYS 3 HA LYS 3 9.446 2.241 -0.796 14 HB2 LYS 3 2HB LYS 3 9.696 2.844 2.149 15 HB3 LYS 3 1HB LYS 3 11.040 2.564 1.051 16 HG2 LYS 3 2HG LYS 3 9.060 4.826 0.882 17 HG3 LYS 3 1HG LYS 3 10.726 4.941 1.454 18 HD2 LYS 3 2HD LYS 3 11.531 4.264 -0.749 19 HD3 LYS 3 1HD LYS 3 9.874 4.115 -1.321 20 HE2 LYS 3 2HE LYS 3 9.561 6.529 -0.811 21 HE3 LYS 3 1HE LYS 3 11.272 6.605 -0.406 22 HZ1 LYS 3 1HZ LYS 3 10.153 5.884 -3.060 23 HZ2 LYS 3 2HZ LYS 3 11.805 5.925 -2.663 24 HZ3 LYS 3 3HZ LYS 3 10.912 7.339 -2.652 25 H GLU 4 HN GLU 4 8.275 0.860 2.265 26 HA GLU 4 HA GLU 4 9.623 -1.607 1.550 27 HB2 GLU 4 2HB GLU 4 7.965 -1.076 3.993 28 HB3 GLU 4 1HB GLU 4 9.162 -2.334 3.729 29 HG2 GLU 4 2HG GLU 4 9.754 0.619 4.029 30 HG3 GLU 4 1HG GLU 4 10.015 -0.607 5.263 31 H TYR 5 HN TYR 5 8.493 -2.621 0.156 32 HA TYR 5 HA TYR 5 5.727 -2.241 -0.379 33 HB2 TYR 5 2HB TYR 5 7.507 -2.993 -2.018 34 HB3 TYR 5 1HB TYR 5 7.384 -4.582 -1.301 35 HD1 TYR 5 1HD TYR 5 5.698 -6.093 -1.949 36 HD2 TYR 5 2HD TYR 5 5.410 -2.022 -3.123 37 HE1 TYR 5 1HE TYR 5 3.820 -6.659 -3.407 38 HE2 TYR 5 2HE TYR 5 3.525 -2.568 -4.594 39 HH TYR 5 HH TYR 5 2.598 -4.543 -5.766 40 H TRP 6 HN TRP 6 7.479 -4.761 1.128 41 HA TRP 6 HA TRP 6 5.361 -6.542 1.682 42 HB2 TRP 6 2HB TRP 6 6.944 -7.489 3.437 43 HB3 TRP 6 1HB TRP 6 7.495 -7.439 1.763 44 HD1 TRP 6 1HD TRP 6 7.993 -5.427 5.048 45 HE1 TRP 6 1HE TRP 6 10.350 -4.387 4.956 46 HE3 TRP 6 3HE TRP 6 9.361 -6.911 0.353 47 HZ2 TRP 6 2HZ TRP 6 12.493 -4.234 3.147 48 HZ3 TRP 6 3HZ TRP 6 11.586 -6.281 -0.478 49 HH2 TRP 6 2HH TRP 6 13.115 -4.969 0.898 50 H GLU 7 HN GLU 7 6.207 -3.641 3.192 51 HA GLU 7 HA GLU 7 5.011 -4.121 5.739 52 HB2 GLU 7 2HB GLU 7 6.590 -2.258 5.380 53 HB3 GLU 7 1HB GLU 7 5.463 -1.510 4.265 54 HG2 GLU 7 2HG GLU 7 5.448 -0.379 6.408 55 HG3 GLU 7 1HG GLU 7 3.894 -1.146 6.098 56 H CYS 8 HN CYS 8 3.911 -2.993 2.693 57 HA CYS 8 HA CYS 8 1.224 -2.530 3.578 58 HB2 CYS 8 2HB CYS 8 2.399 -2.714 0.814 59 HB3 CYS 8 1HB CYS 8 0.783 -2.163 1.216 60 H GLY 9 HN GLY 9 2.989 -4.914 1.707 61 HA2 GLY 9 2HA GLY 9 2.354 -7.269 2.074 62 HA3 GLY 9 1HA GLY 9 0.678 -6.735 1.974 63 H ALA 10 HN ALA 10 -0.138 -7.549 0.136 64 HA ALA 10 HA ALA 10 1.520 -7.408 -2.282 65 HB1 ALA 10 1HB ALA 10 0.131 -9.207 -3.166 66 HB2 ALA 10 2HB ALA 10 -0.863 -9.161 -1.712 67 HB3 ALA 10 3HB ALA 10 0.820 -9.668 -1.608 68 H PHE 11 HN PHE 11 1.078 -5.613 -3.330 69 HA PHE 11 HA PHE 11 0.096 -3.886 -4.294 70 HB2 PHE 11 2HB PHE 11 -0.567 -5.578 -5.910 71 HB3 PHE 11 1HB PHE 11 -2.028 -5.910 -4.982 72 HD1 PHE 11 1HD PHE 11 -0.300 -3.286 -6.947 73 HD2 PHE 11 2HD PHE 11 -3.992 -4.664 -5.337 74 HE1 PHE 11 1HE PHE 11 -1.500 -1.556 -8.207 75 HE2 PHE 11 2HE PHE 11 -5.191 -2.941 -6.592 76 HZ PHE 11 HZ PHE 11 -3.949 -1.380 -8.033 77 H LEU 12 HN LEU 12 -0.281 -2.431 -2.845 78 HA LEU 12 HA LEU 12 -3.030 -2.130 -1.948 79 HB2 LEU 12 2HB LEU 12 -0.542 -1.756 -0.271 80 HB3 LEU 12 1HB LEU 12 -2.055 -0.992 0.134 81 HG LEU 12 HG LEU 12 -1.768 -2.873 1.558 82 HD11 LEU 12 1HD1 LEU 12 -4.024 -2.515 0.860 83 HD12 LEU 12 2HD1 LEU 12 -3.712 -4.233 1.112 84 HD13 LEU 12 3HD1 LEU 12 -3.793 -3.585 -0.525 85 HD21 LEU 12 1HD2 LEU 12 -0.168 -4.166 0.281 86 HD22 LEU 12 2HD2 LEU 12 -1.415 -4.576 -0.897 87 HD23 LEU 12 3HD2 LEU 12 -1.534 -5.173 0.757 88 H PHE 13 HN PHE 13 -3.451 0.126 -1.373 89 HA PHE 13 HA PHE 13 -2.094 1.924 -3.224 90 HB2 PHE 13 2HB PHE 13 -4.551 1.677 -3.432 91 HB3 PHE 13 1HB PHE 13 -4.739 2.116 -1.741 92 HD1 PHE 13 1HD PHE 13 -3.762 3.341 -5.057 93 HD2 PHE 13 2HD PHE 13 -4.801 4.398 -1.079 94 HE1 PHE 13 1HE PHE 13 -3.975 5.690 -5.744 95 HE2 PHE 13 2HE PHE 13 -5.015 6.752 -1.750 96 HZ PHE 13 HZ PHE 13 -4.604 7.400 -4.089 97 H CYS 14 HN CYS 14 -0.812 3.499 -2.308 98 HA CYS 14 HA CYS 14 -0.850 3.572 0.599 99 HB2 CYS 14 2HB CYS 14 1.206 4.619 -1.300 100 HB3 CYS 14 1HB CYS 14 1.249 4.779 0.438 101 H ILE 15 HN ILE 15 -1.556 5.098 1.598 102 HA ILE 15 HA ILE 15 -1.679 7.717 0.389 103 HB ILE 15 HB ILE 15 -3.910 7.008 0.240 104 HG12 ILE 15 2HG1 ILE 15 -3.676 8.859 2.623 105 HG13 ILE 15 1HG1 ILE 15 -3.606 9.330 0.931 106 HG21 ILE 15 1HG2 ILE 15 -5.291 6.252 2.159 107 HG22 ILE 15 2HG2 ILE 15 -3.846 6.270 3.169 108 HG23 ILE 15 3HG2 ILE 15 -3.952 5.158 1.804 109 HD11 ILE 15 1HD1 ILE 15 -5.764 9.855 1.908 110 HD12 ILE 15 2HD1 ILE 15 -5.990 8.165 2.353 111 HD13 ILE 15 3HD1 ILE 15 -5.934 8.630 0.651 112 H GLU 16 HN GLU 16 -0.135 8.602 1.300 113 HA GLU 16 HA GLU 16 1.156 9.690 2.776 114 HB2 GLU 16 2HB GLU 16 -1.317 9.397 4.331 115 HB3 GLU 16 1HB GLU 16 0.053 10.395 4.863 116 HG2 GLU 16 2HG GLU 16 -0.201 11.764 2.853 117 HG3 GLU 16 1HG GLU 16 -1.545 10.747 2.333 118 H GLY 17 HN GLY 17 1.307 6.888 2.721 119 HA2 GLY 17 2HA GLY 17 3.033 5.641 3.800 120 HA3 GLY 17 1HA GLY 17 2.684 6.512 5.290 121 H ILE 18 HN ILE 18 -0.229 5.907 4.291 122 HA ILE 18 HA ILE 18 -0.376 3.426 5.814 123 HB ILE 18 HB ILE 18 -2.588 5.330 4.979 124 HG12 ILE 18 2HG1 ILE 18 -1.102 6.355 6.615 125 HG13 ILE 18 1HG1 ILE 18 -2.661 5.998 7.350 126 HG21 ILE 18 1HG2 ILE 18 -2.692 2.958 6.842 127 HG22 ILE 18 2HG2 ILE 18 -3.423 3.055 5.242 128 HG23 ILE 18 3HG2 ILE 18 -4.013 4.087 6.546 129 HD11 ILE 18 1HD1 ILE 18 -0.121 4.410 7.685 130 HD12 ILE 18 2HD1 ILE 18 -1.679 4.024 8.418 131 HD13 ILE 18 3HD1 ILE 18 -0.839 5.509 8.860 132 H CYS 19 HN CYS 19 -0.602 1.625 4.771 133 HA CYS 19 HA CYS 19 -1.156 1.635 1.932 134 HB2 CYS 19 2HB CYS 19 -0.698 -0.781 3.683 135 HB3 CYS 19 1HB CYS 19 -0.408 -0.599 1.962 136 H VAL 20 HN VAL 20 -3.255 1.708 1.415 137 HA VAL 20 HA VAL 20 -5.145 0.187 3.061 138 HB VAL 20 HB VAL 20 -6.929 1.664 2.246 139 HG11 VAL 20 1HG1 VAL 20 -4.614 3.219 3.353 140 HG12 VAL 20 2HG1 VAL 20 -5.824 2.328 4.278 141 HG13 VAL 20 3HG1 VAL 20 -6.294 3.750 3.347 142 HG21 VAL 20 1HG2 VAL 20 -6.427 3.692 0.934 143 HG22 VAL 20 2HG2 VAL 20 -6.063 2.216 0.042 144 HG23 VAL 20 3HG2 VAL 20 -4.755 3.150 0.769 145 HA PRO 21 HA PRO 21 -5.840 -2.260 -0.534 146 HB2 PRO 21 2HB PRO 21 -8.430 -2.983 -0.199 147 HB3 PRO 21 1HB PRO 21 -7.111 -3.698 0.730 148 HG2 PRO 21 2HG PRO 21 -9.049 -1.571 1.536 149 HG3 PRO 21 1HG PRO 21 -8.399 -2.914 2.492 150 HD2 PRO 21 2HD PRO 21 -7.488 -0.356 2.680 151 HD3 PRO 21 1HD PRO 21 -6.477 -1.777 3.006 152 H MET 22 HN MET 22 -6.312 -1.665 -2.586 153 HA MET 22 HA MET 22 -7.597 0.813 -2.893 154 HB2 MET 22 2HB MET 22 -5.608 0.048 -4.293 155 HB3 MET 22 1HB MET 22 -6.776 -0.980 -5.133 156 HG2 MET 22 2HG MET 22 -8.073 0.999 -5.759 157 HG3 MET 22 1HG MET 22 -6.858 2.021 -5.000 158 HE1 MET 22 1HE MET 22 -7.779 -0.330 -7.950 159 HE2 MET 22 2HE MET 22 -6.435 -1.237 -7.253 160 HE3 MET 22 3HE MET 22 -6.260 -0.471 -8.830 161 H ILE 23 HN ILE 23 -9.427 1.170 -4.156 162 HA ILE 23 HA ILE 23 -11.259 -1.089 -4.258 163 HB ILE 23 HB ILE 23 -11.905 1.899 -4.464 164 HG12 ILE 23 2HG1 ILE 23 -13.168 1.475 -2.277 165 HG13 ILE 23 1HG1 ILE 23 -12.309 -0.050 -2.177 166 HG21 ILE 23 1HG2 ILE 23 -14.254 1.240 -4.317 167 HG22 ILE 23 2HG2 ILE 23 -13.775 -0.457 -4.352 168 HG23 ILE 23 3HG2 ILE 23 -13.468 0.575 -5.748 169 HD11 ILE 23 1HD1 ILE 23 -10.188 1.168 -2.053 170 HD12 ILE 23 2HD1 ILE 23 -11.295 1.641 -0.762 171 HD13 ILE 23 3HD1 ILE 23 -11.066 2.696 -2.159 172 HN1 NH2 24 HN1 NH2 24 -11.184 1.841 -6.204 173 HN2 NH2 24 HN2 NH2 24 -10.958 1.064 -7.726 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 7.129 7.936 1.518 2 H2 ALA 1 2HT ALA 1 7.420 8.699 0.025 3 H3 ALA 1 3HT ALA 1 8.455 7.480 0.595 4 HA ALA 1 HA ALA 1 5.628 7.104 -0.136 5 HB1 ALA 1 1HB ALA 1 8.152 6.189 -1.528 6 HB2 ALA 1 2HB ALA 1 7.113 7.499 -2.075 7 HB3 ALA 1 3HB ALA 1 6.499 5.846 -2.038 8 H CYS 2 HN CYS 2 5.476 4.531 -0.535 9 HA CYS 2 HA CYS 2 6.234 3.341 1.966 10 HB2 CYS 2 2HB CYS 2 4.970 2.075 -0.471 11 HB3 CYS 2 1HB CYS 2 5.091 1.343 1.118 12 H LYS 3 HN LYS 3 7.909 2.054 2.292 13 HA LYS 3 HA LYS 3 9.798 1.875 0.072 14 HB2 LYS 3 2HB LYS 3 10.318 1.435 3.011 15 HB3 LYS 3 1HB LYS 3 11.524 1.501 1.733 16 HG2 LYS 3 2HG LYS 3 10.809 3.862 1.289 17 HG3 LYS 3 1HG LYS 3 9.785 3.754 2.714 18 HD2 LYS 3 2HD LYS 3 11.820 4.816 3.370 19 HD3 LYS 3 1HD LYS 3 11.835 3.184 4.036 20 HE2 LYS 3 2HE LYS 3 14.009 3.779 3.093 21 HE3 LYS 3 1HE LYS 3 13.289 2.440 2.210 22 HZ1 LYS 3 1HZ LYS 3 13.266 5.286 1.347 23 HZ2 LYS 3 2HZ LYS 3 12.598 4.001 0.486 24 HZ3 LYS 3 3HZ LYS 3 14.258 4.079 0.723 25 H GLU 4 HN GLU 4 7.791 -0.080 2.095 26 HA GLU 4 HA GLU 4 8.785 -2.396 0.678 27 HB2 GLU 4 2HB GLU 4 7.856 -2.302 3.502 28 HB3 GLU 4 1HB GLU 4 8.360 -3.705 2.573 29 HG2 GLU 4 2HG GLU 4 10.619 -2.899 2.434 30 HG3 GLU 4 1HG GLU 4 10.173 -1.393 3.235 31 H TYR 5 HN TYR 5 7.269 -2.377 -0.647 32 HA TYR 5 HA TYR 5 4.522 -1.758 -0.398 33 HB2 TYR 5 2HB TYR 5 5.881 -1.870 -2.490 34 HB3 TYR 5 1HB TYR 5 5.874 -3.617 -2.359 35 HD1 TYR 5 1HD TYR 5 3.951 -0.630 -3.151 36 HD2 TYR 5 2HD TYR 5 3.878 -4.874 -2.970 37 HE1 TYR 5 1HE TYR 5 1.958 -0.647 -4.551 38 HE2 TYR 5 2HE TYR 5 1.877 -4.900 -4.372 39 HH TYR 5 HH TYR 5 0.827 -2.222 -6.105 40 H TRP 6 HN TRP 6 6.270 -4.712 -0.393 41 HA TRP 6 HA TRP 6 4.144 -6.559 -0.166 42 HB2 TRP 6 2HB TRP 6 5.931 -8.187 0.381 43 HB3 TRP 6 1HB TRP 6 6.285 -7.225 -1.051 44 HD1 TRP 6 1HD TRP 6 7.470 -7.788 2.536 45 HE1 TRP 6 1HE TRP 6 9.766 -6.668 2.860 46 HE3 TRP 6 3HE TRP 6 7.812 -5.357 -1.942 47 HZ2 TRP 6 2HZ TRP 6 11.497 -4.997 1.384 48 HZ3 TRP 6 3HZ TRP 6 9.819 -4.022 -2.396 49 HH2 TRP 6 2HH TRP 6 11.614 -3.851 -0.772 50 H GLU 7 HN GLU 7 5.673 -4.572 2.166 51 HA GLU 7 HA GLU 7 5.249 -6.276 4.429 52 HB2 GLU 7 2HB GLU 7 6.993 -4.449 4.280 53 HB3 GLU 7 1HB GLU 7 5.690 -3.282 4.427 54 HG2 GLU 7 2HG GLU 7 6.703 -3.535 6.568 55 HG3 GLU 7 1HG GLU 7 5.122 -4.314 6.626 56 H CYS 8 HN CYS 8 3.330 -4.194 2.583 57 HA CYS 8 HA CYS 8 1.332 -3.898 4.660 58 HB2 CYS 8 2HB CYS 8 1.624 -2.679 1.926 59 HB3 CYS 8 1HB CYS 8 0.315 -2.349 3.056 60 H GLY 9 HN GLY 9 2.126 -6.218 2.513 61 HA2 GLY 9 2HA GLY 9 0.605 -8.091 2.349 62 HA3 GLY 9 1HA GLY 9 -0.693 -6.933 2.088 63 H ALA 10 HN ALA 10 -1.330 -7.739 0.133 64 HA ALA 10 HA ALA 10 0.625 -7.601 -2.049 65 HB1 ALA 10 1HB ALA 10 -1.892 -9.252 -1.876 66 HB2 ALA 10 2HB ALA 10 -0.246 -9.857 -1.690 67 HB3 ALA 10 3HB ALA 10 -0.778 -9.209 -3.241 68 H PHE 11 HN PHE 11 0.299 -6.193 -3.549 69 HA PHE 11 HA PHE 11 -0.400 -4.430 -4.685 70 HB2 PHE 11 2HB PHE 11 -1.734 -6.259 -5.750 71 HB3 PHE 11 1HB PHE 11 -3.095 -5.795 -4.736 72 HD1 PHE 11 1HD PHE 11 -0.733 -4.445 -7.261 73 HD2 PHE 11 2HD PHE 11 -4.583 -4.161 -5.489 74 HE1 PHE 11 1HE PHE 11 -1.384 -2.802 -8.964 75 HE2 PHE 11 2HE PHE 11 -5.242 -2.508 -7.193 76 HZ PHE 11 HZ PHE 11 -3.646 -1.832 -8.932 77 H LEU 12 HN LEU 12 -0.297 -2.624 -3.647 78 HA LEU 12 HA LEU 12 -2.626 -1.739 -2.084 79 HB2 LEU 12 2HB LEU 12 0.252 -1.335 -1.242 80 HB3 LEU 12 1HB LEU 12 -1.135 -0.625 -0.467 81 HG LEU 12 HG LEU 12 -0.415 -2.320 0.940 82 HD11 LEU 12 1HD1 LEU 12 -2.716 -3.453 -0.587 83 HD12 LEU 12 2HD1 LEU 12 -2.778 -2.312 0.758 84 HD13 LEU 12 3HD1 LEU 12 -2.193 -3.957 1.019 85 HD21 LEU 12 1HD2 LEU 12 -0.284 -4.191 -1.416 86 HD22 LEU 12 2HD2 LEU 12 0.012 -4.641 0.264 87 HD23 LEU 12 3HD2 LEU 12 1.086 -3.500 -0.546 88 H PHE 13 HN PHE 13 -2.864 0.503 -1.988 89 HA PHE 13 HA PHE 13 -1.215 2.042 -3.847 90 HB2 PHE 13 2HB PHE 13 -4.064 2.504 -2.899 91 HB3 PHE 13 1HB PHE 13 -3.143 3.639 -3.875 92 HD1 PHE 13 1HD PHE 13 -2.514 3.022 -6.197 93 HD2 PHE 13 2HD PHE 13 -5.173 0.660 -3.869 94 HE1 PHE 13 1HE PHE 13 -3.328 1.938 -8.239 95 HE2 PHE 13 2HE PHE 13 -5.988 -0.437 -5.929 96 HZ PHE 13 HZ PHE 13 -5.063 0.207 -8.107 97 H CYS 14 HN CYS 14 -0.072 3.645 -2.899 98 HA CYS 14 HA CYS 14 -0.479 3.935 -0.031 99 HB2 CYS 14 2HB CYS 14 1.866 4.700 -1.738 100 HB3 CYS 14 1HB CYS 14 1.748 4.944 -0.007 101 H ILE 15 HN ILE 15 -0.925 5.817 0.839 102 HA ILE 15 HA ILE 15 -0.745 8.228 -0.606 103 HB ILE 15 HB ILE 15 -2.892 7.480 -1.417 104 HG12 ILE 15 2HG1 ILE 15 -4.407 9.252 -0.581 105 HG13 ILE 15 1HG1 ILE 15 -3.291 9.553 0.745 106 HG21 ILE 15 1HG2 ILE 15 -4.795 6.996 0.066 107 HG22 ILE 15 2HG2 ILE 15 -3.675 6.997 1.433 108 HG23 ILE 15 3HG2 ILE 15 -3.494 5.809 0.145 109 HD11 ILE 15 1HD1 ILE 15 -3.051 11.192 -1.034 110 HD12 ILE 15 2HD1 ILE 15 -2.704 9.904 -2.185 111 HD13 ILE 15 3HD1 ILE 15 -1.581 10.232 -0.864 112 H GLU 16 HN GLU 16 -0.061 9.615 0.761 113 HA GLU 16 HA GLU 16 0.553 10.724 2.598 114 HB2 GLU 16 2HB GLU 16 -1.855 9.341 3.653 115 HB3 GLU 16 1HB GLU 16 -0.977 10.604 4.552 116 HG2 GLU 16 2HG GLU 16 -1.530 12.210 2.820 117 HG3 GLU 16 1HG GLU 16 -2.297 10.955 1.855 118 H GLY 17 HN GLY 17 1.347 7.896 2.036 119 HA2 GLY 17 2HA GLY 17 3.161 6.725 2.961 120 HA3 GLY 17 1HA GLY 17 2.838 7.497 4.508 121 H ILE 18 HN ILE 18 -0.061 6.558 3.485 122 HA ILE 18 HA ILE 18 -0.028 4.191 5.181 123 HB ILE 18 HB ILE 18 -2.390 5.684 3.991 124 HG12 ILE 18 2HG1 ILE 18 -1.169 5.980 6.753 125 HG13 ILE 18 1HG1 ILE 18 -1.044 7.157 5.456 126 HG21 ILE 18 1HG2 ILE 18 -2.229 3.706 6.273 127 HG22 ILE 18 2HG2 ILE 18 -2.904 3.395 4.675 128 HG23 ILE 18 3HG2 ILE 18 -3.685 4.552 5.751 129 HD11 ILE 18 1HD1 ILE 18 -2.712 7.813 7.093 130 HD12 ILE 18 2HD1 ILE 18 -3.584 6.303 6.830 131 HD13 ILE 18 3HD1 ILE 18 -3.464 7.491 5.531 132 H CYS 19 HN CYS 19 -0.258 2.198 4.306 133 HA CYS 19 HA CYS 19 -0.586 1.880 1.464 134 HB2 CYS 19 2HB CYS 19 -0.401 -0.194 3.668 135 HB3 CYS 19 1HB CYS 19 -0.319 -0.499 1.943 136 H VAL 20 HN VAL 20 -2.565 1.875 0.614 137 HA VAL 20 HA VAL 20 -4.798 0.958 2.273 138 HB VAL 20 HB VAL 20 -4.795 2.944 -0.016 139 HG11 VAL 20 1HG1 VAL 20 -7.038 2.095 1.810 140 HG12 VAL 20 2HG1 VAL 20 -6.889 1.702 0.098 141 HG13 VAL 20 3HG1 VAL 20 -7.127 3.376 0.602 142 HG21 VAL 20 1HG2 VAL 20 -5.178 3.402 2.940 143 HG22 VAL 20 2HG2 VAL 20 -5.265 4.627 1.665 144 HG23 VAL 20 3HG2 VAL 20 -3.741 3.816 2.008 145 HA PRO 21 HA PRO 21 -5.187 -2.005 -1.090 146 HB2 PRO 21 2HB PRO 21 -6.836 -3.717 0.176 147 HB3 PRO 21 1HB PRO 21 -5.108 -3.659 0.535 148 HG2 PRO 21 2HG PRO 21 -7.400 -2.582 2.090 149 HG3 PRO 21 1HG PRO 21 -5.866 -3.256 2.663 150 HD2 PRO 21 2HD PRO 21 -6.494 -0.530 2.444 151 HD3 PRO 21 1HD PRO 21 -4.870 -1.212 2.652 152 H MET 22 HN MET 22 -6.665 -2.002 -2.683 153 HA MET 22 HA MET 22 -8.963 -0.399 -2.452 154 HB2 MET 22 2HB MET 22 -7.365 -0.594 -4.439 155 HB3 MET 22 1HB MET 22 -8.130 -2.150 -4.736 156 HG2 MET 22 2HG MET 22 -9.690 0.415 -4.754 157 HG3 MET 22 1HG MET 22 -8.832 -0.172 -6.169 158 HE1 MET 22 1HE MET 22 -12.511 -0.883 -7.159 159 HE2 MET 22 2HE MET 22 -10.973 -0.179 -7.654 160 HE3 MET 22 3HE MET 22 -11.865 0.519 -6.303 161 H ILE 23 HN ILE 23 -11.104 -1.337 -3.041 162 HA ILE 23 HA ILE 23 -11.455 -3.862 -1.634 163 HB ILE 23 HB ILE 23 -13.657 -2.101 -2.788 164 HG12 ILE 23 2HG1 ILE 23 -12.668 -2.207 0.066 165 HG13 ILE 23 1HG1 ILE 23 -12.174 -0.959 -1.067 166 HG21 ILE 23 1HG2 ILE 23 -15.086 -3.306 -1.164 167 HG22 ILE 23 2HG2 ILE 23 -13.703 -4.295 -0.700 168 HG23 ILE 23 3HG2 ILE 23 -14.354 -4.404 -2.335 169 HD11 ILE 23 1HD1 ILE 23 -13.939 -0.180 0.411 170 HD12 ILE 23 2HD1 ILE 23 -14.984 -1.499 -0.122 171 HD13 ILE 23 3HD1 ILE 23 -14.507 -0.238 -1.258 172 HN1 NH2 24 HN1 NH2 24 -13.382 -2.874 -4.415 173 HN2 NH2 24 HN2 NH2 24 -13.022 -4.255 -5.381 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 5.547 7.797 -2.042 2 H2 ALA 1 2HT ALA 1 6.982 7.148 -1.400 3 H3 ALA 1 3HT ALA 1 5.797 7.726 -0.376 4 HA ALA 1 HA ALA 1 4.300 6.023 -0.960 5 HB1 ALA 1 1HB ALA 1 5.063 5.689 -3.292 6 HB2 ALA 1 2HB ALA 1 5.006 4.176 -2.393 7 HB3 ALA 1 3HB ALA 1 6.553 4.961 -2.690 8 H CYS 2 HN CYS 2 4.841 3.562 -0.321 9 HA CYS 2 HA CYS 2 6.204 3.783 2.163 10 HB2 CYS 2 2HB CYS 2 5.059 1.355 0.773 11 HB3 CYS 2 1HB CYS 2 5.387 1.534 2.501 12 H LYS 3 HN LYS 3 7.802 1.800 2.668 13 HA LYS 3 HA LYS 3 9.938 2.425 0.840 14 HB2 LYS 3 2HB LYS 3 10.074 0.643 3.279 15 HB3 LYS 3 1HB LYS 3 11.440 1.311 2.399 16 HG2 LYS 3 2HG LYS 3 9.426 2.811 4.070 17 HG3 LYS 3 1HG LYS 3 11.141 2.591 4.405 18 HD2 LYS 3 2HD LYS 3 10.012 4.136 2.053 19 HD3 LYS 3 1HD LYS 3 10.549 4.859 3.557 20 HE2 LYS 3 2HE LYS 3 12.317 3.230 1.726 21 HE3 LYS 3 1HE LYS 3 12.205 4.985 1.689 22 HZ1 LYS 3 1HZ LYS 3 12.971 5.007 4.002 23 HZ2 LYS 3 2HZ LYS 3 14.085 4.353 2.954 24 HZ3 LYS 3 3HZ LYS 3 13.198 3.332 3.963 25 H GLU 4 HN GLU 4 8.309 -0.553 1.858 26 HA GLU 4 HA GLU 4 9.259 -1.718 -0.637 27 HB2 GLU 4 2HB GLU 4 8.743 -3.084 2.011 28 HB3 GLU 4 1HB GLU 4 9.128 -3.889 0.516 29 HG2 GLU 4 2HG GLU 4 10.924 -2.006 2.030 30 HG3 GLU 4 1HG GLU 4 11.063 -3.762 1.983 31 H TYR 5 HN TYR 5 7.717 -3.267 -1.516 32 HA TYR 5 HA TYR 5 4.999 -2.360 -1.357 33 HB2 TYR 5 2HB TYR 5 6.080 -3.193 -3.440 34 HB3 TYR 5 1HB TYR 5 6.200 -4.775 -2.708 35 HD1 TYR 5 1HD TYR 5 4.458 -6.320 -2.924 36 HD2 TYR 5 2HD TYR 5 3.733 -2.231 -3.814 37 HE1 TYR 5 1HE TYR 5 2.280 -6.918 -3.861 38 HE2 TYR 5 2HE TYR 5 1.550 -2.813 -4.747 39 HH TYR 5 HH TYR 5 0.506 -4.829 -5.770 40 H TRP 6 HN TRP 6 6.756 -5.200 -0.539 41 HA TRP 6 HA TRP 6 4.616 -6.605 0.700 42 HB2 TRP 6 2HB TRP 6 6.338 -8.166 1.574 43 HB3 TRP 6 1HB TRP 6 6.514 -7.819 -0.144 44 HD1 TRP 6 1HD TRP 6 8.709 -6.608 -0.945 45 HE1 TRP 6 1HE TRP 6 10.958 -6.106 0.212 46 HE3 TRP 6 3HE TRP 6 7.381 -7.554 3.903 47 HZ2 TRP 6 2HZ TRP 6 12.022 -6.110 2.819 48 HZ3 TRP 6 3HZ TRP 6 9.076 -7.282 5.661 49 HH2 TRP 6 2HH TRP 6 11.341 -6.577 5.127 50 H GLU 7 HN GLU 7 6.350 -3.995 1.697 51 HA GLU 7 HA GLU 7 6.357 -4.266 4.515 52 HB2 GLU 7 2HB GLU 7 7.641 -2.505 3.441 53 HB3 GLU 7 1HB GLU 7 6.183 -1.799 2.767 54 HG2 GLU 7 2HG GLU 7 5.472 -1.196 5.019 55 HG3 GLU 7 1HG GLU 7 6.934 -1.927 5.675 56 H CYS 8 HN CYS 8 4.025 -3.200 2.225 57 HA CYS 8 HA CYS 8 2.017 -2.816 4.282 58 HB2 CYS 8 2HB CYS 8 1.968 -2.564 1.295 59 HB3 CYS 8 1HB CYS 8 0.608 -2.207 2.333 60 H GLY 9 HN GLY 9 2.731 -4.805 1.489 61 HA2 GLY 9 2HA GLY 9 2.316 -7.246 1.958 62 HA3 GLY 9 1HA GLY 9 0.692 -6.705 2.383 63 H ALA 10 HN ALA 10 0.614 -8.480 0.557 64 HA ALA 10 HA ALA 10 1.093 -7.600 -2.098 65 HB1 ALA 10 1HB ALA 10 1.026 -9.975 -1.458 66 HB2 ALA 10 2HB ALA 10 -0.088 -9.599 -2.772 67 HB3 ALA 10 3HB ALA 10 -0.701 -9.817 -1.134 68 H PHE 11 HN PHE 11 -0.043 -6.217 -3.224 69 HA PHE 11 HA PHE 11 -1.643 -5.031 -4.112 70 HB2 PHE 11 2HB PHE 11 -3.501 -7.116 -2.952 71 HB3 PHE 11 1HB PHE 11 -4.015 -5.843 -4.057 72 HD1 PHE 11 1HD PHE 11 -2.467 -9.085 -3.760 73 HD2 PHE 11 2HD PHE 11 -3.025 -5.754 -6.350 74 HE1 PHE 11 1HE PHE 11 -1.774 -10.462 -5.675 75 HE2 PHE 11 2HE PHE 11 -2.339 -7.129 -8.269 76 HZ PHE 11 HZ PHE 11 -1.710 -9.480 -7.933 77 H LEU 12 HN LEU 12 -0.808 -4.719 -1.224 78 HA LEU 12 HA LEU 12 -3.024 -2.971 -0.468 79 HB2 LEU 12 2HB LEU 12 -1.927 -4.729 1.159 80 HB3 LEU 12 1HB LEU 12 -0.624 -3.564 1.254 81 HG LEU 12 HG LEU 12 -2.238 -1.870 2.092 82 HD11 LEU 12 1HD1 LEU 12 -4.280 -2.773 1.147 83 HD12 LEU 12 2HD1 LEU 12 -4.410 -2.661 2.900 84 HD13 LEU 12 3HD1 LEU 12 -4.112 -4.222 2.139 85 HD21 LEU 12 1HD2 LEU 12 -2.112 -4.431 3.671 86 HD22 LEU 12 2HD2 LEU 12 -2.469 -2.830 4.322 87 HD23 LEU 12 3HD2 LEU 12 -0.877 -3.175 3.648 88 H PHE 13 HN PHE 13 -2.738 -1.088 -1.448 89 HA PHE 13 HA PHE 13 -0.047 -0.223 -2.110 90 HB2 PHE 13 2HB PHE 13 -2.732 0.802 -3.059 91 HB3 PHE 13 1HB PHE 13 -1.175 1.423 -3.591 92 HD1 PHE 13 1HD PHE 13 -3.693 -1.085 -4.077 93 HD2 PHE 13 2HD PHE 13 0.387 -0.139 -4.820 94 HE1 PHE 13 1HE PHE 13 -3.624 -2.799 -5.843 95 HE2 PHE 13 2HE PHE 13 0.466 -1.846 -6.590 96 HZ PHE 13 HZ PHE 13 -1.542 -3.182 -7.105 97 H CYS 14 HN CYS 14 0.280 2.203 -2.025 98 HA CYS 14 HA CYS 14 -0.457 3.008 0.675 99 HB2 CYS 14 2HB CYS 14 1.634 4.229 -1.085 100 HB3 CYS 14 1HB CYS 14 1.458 4.400 0.651 101 H ILE 15 HN ILE 15 -1.741 4.604 0.981 102 HA ILE 15 HA ILE 15 -2.123 6.648 -1.020 103 HB ILE 15 HB ILE 15 -4.325 5.261 0.546 104 HG12 ILE 15 2HG1 ILE 15 -3.850 5.472 -2.445 105 HG13 ILE 15 1HG1 ILE 15 -3.660 4.027 -1.465 106 HG21 ILE 15 1HG2 ILE 15 -4.731 7.676 0.497 107 HG22 ILE 15 2HG2 ILE 15 -5.914 6.816 -0.486 108 HG23 ILE 15 3HG2 ILE 15 -4.585 7.669 -1.264 109 HD11 ILE 15 1HD1 ILE 15 -6.083 4.025 -1.044 110 HD12 ILE 15 2HD1 ILE 15 -5.703 3.947 -2.764 111 HD13 ILE 15 3HD1 ILE 15 -6.238 5.467 -2.048 112 H GLU 16 HN GLU 16 -1.484 8.311 -0.169 113 HA GLU 16 HA GLU 16 -0.763 9.962 1.148 114 HB2 GLU 16 2HB GLU 16 -2.830 8.848 2.945 115 HB3 GLU 16 1HB GLU 16 -1.974 10.378 3.244 116 HG2 GLU 16 2HG GLU 16 -2.931 11.230 1.134 117 HG3 GLU 16 1HG GLU 16 -3.811 9.714 0.949 118 H GLY 17 HN GLY 17 0.281 7.229 1.329 119 HA2 GLY 17 2HA GLY 17 2.273 6.524 2.339 120 HA3 GLY 17 1HA GLY 17 1.985 7.661 3.652 121 H ILE 18 HN ILE 18 -0.869 6.180 3.216 122 HA ILE 18 HA ILE 18 -0.312 4.254 5.346 123 HB ILE 18 HB ILE 18 -2.990 5.317 4.360 124 HG12 ILE 18 2HG1 ILE 18 -1.385 6.114 6.802 125 HG13 ILE 18 1HG1 ILE 18 -1.620 7.098 5.364 126 HG21 ILE 18 1HG2 ILE 18 -2.300 3.766 6.863 127 HG22 ILE 18 2HG2 ILE 18 -3.102 3.102 5.446 128 HG23 ILE 18 3HG2 ILE 18 -3.904 4.345 6.410 129 HD11 ILE 18 1HD1 ILE 18 -3.769 6.211 7.273 130 HD12 ILE 18 2HD1 ILE 18 -4.016 7.201 5.837 131 HD13 ILE 18 3HD1 ILE 18 -3.056 7.820 7.182 132 H CYS 19 HN CYS 19 -0.679 2.111 5.003 133 HA CYS 19 HA CYS 19 -0.954 1.213 2.290 134 HB2 CYS 19 2HB CYS 19 -0.798 -0.389 4.847 135 HB3 CYS 19 1HB CYS 19 -0.505 -0.966 3.217 136 H VAL 20 HN VAL 20 -2.957 1.131 1.471 137 HA VAL 20 HA VAL 20 -5.089 -0.120 3.015 138 HB VAL 20 HB VAL 20 -6.743 1.591 2.210 139 HG11 VAL 20 1HG1 VAL 20 -5.956 1.759 4.487 140 HG12 VAL 20 2HG1 VAL 20 -6.180 3.371 3.803 141 HG13 VAL 20 3HG1 VAL 20 -4.558 2.693 3.955 142 HG21 VAL 20 1HG2 VAL 20 -5.949 3.773 1.446 143 HG22 VAL 20 2HG2 VAL 20 -5.475 2.477 0.342 144 HG23 VAL 20 3HG2 VAL 20 -4.293 3.164 1.454 145 HA PRO 21 HA PRO 21 -5.865 -1.961 -0.963 146 HB2 PRO 21 2HB PRO 21 -8.514 -2.575 -0.730 147 HB3 PRO 21 1HB PRO 21 -7.252 -3.498 0.091 148 HG2 PRO 21 2HG PRO 21 -9.072 -1.398 1.179 149 HG3 PRO 21 1HG PRO 21 -8.502 -2.895 1.936 150 HD2 PRO 21 2HD PRO 21 -7.463 -0.430 2.485 151 HD3 PRO 21 1HD PRO 21 -6.549 -1.942 2.634 152 H MET 22 HN MET 22 -6.269 -0.970 -2.906 153 HA MET 22 HA MET 22 -7.508 1.540 -2.792 154 HB2 MET 22 2HB MET 22 -5.524 0.990 -4.269 155 HB3 MET 22 1HB MET 22 -6.695 0.084 -5.252 156 HG2 MET 22 2HG MET 22 -7.892 2.066 -5.794 157 HG3 MET 22 1HG MET 22 -6.896 3.020 -4.698 158 HE1 MET 22 1HE MET 22 -7.448 3.881 -7.689 159 HE2 MET 22 2HE MET 22 -5.835 4.412 -8.168 160 HE3 MET 22 3HE MET 22 -6.447 4.791 -6.560 161 H ILE 23 HN ILE 23 -9.373 2.067 -3.767 162 HA ILE 23 HA ILE 23 -11.058 -0.154 -4.552 163 HB ILE 23 HB ILE 23 -11.545 0.348 -2.259 164 HG12 ILE 23 2HG1 ILE 23 -14.020 0.762 -2.408 165 HG13 ILE 23 1HG1 ILE 23 -13.786 1.143 -4.112 166 HG21 ILE 23 1HG2 ILE 23 -12.280 3.149 -3.052 167 HG22 ILE 23 2HG2 ILE 23 -10.919 2.645 -2.050 168 HG23 ILE 23 3HG2 ILE 23 -12.569 2.425 -1.470 169 HD11 ILE 23 1HD1 ILE 23 -14.560 -1.131 -3.822 170 HD12 ILE 23 2HD1 ILE 23 -13.184 -1.489 -2.784 171 HD13 ILE 23 3HD1 ILE 23 -12.930 -1.119 -4.489 172 HN1 NH2 24 HN1 NH2 24 -11.232 3.399 -4.513 173 HN2 NH2 24 HN2 NH2 24 -11.839 3.528 -6.124 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 3.062 7.207 -1.517 2 H2 ALA 1 2HT ALA 1 4.119 8.410 -2.032 3 H3 ALA 1 3HT ALA 1 4.175 7.842 -0.430 4 HA ALA 1 HA ALA 1 4.783 6.239 -2.816 5 HB1 ALA 1 1HB ALA 1 6.596 7.402 -0.710 6 HB2 ALA 1 2HB ALA 1 6.488 7.929 -2.390 7 HB3 ALA 1 3HB ALA 1 7.087 6.314 -2.008 8 H CYS 2 HN CYS 2 5.776 4.206 -2.154 9 HA CYS 2 HA CYS 2 4.647 3.189 0.342 10 HB2 CYS 2 2HB CYS 2 5.869 1.761 -2.035 11 HB3 CYS 2 1HB CYS 2 5.200 0.966 -0.612 12 H LYS 3 HN LYS 3 6.018 2.178 1.837 13 HA LYS 3 HA LYS 3 8.793 3.015 1.567 14 HB2 LYS 3 2HB LYS 3 7.493 3.694 3.606 15 HB3 LYS 3 1HB LYS 3 7.358 1.993 4.027 16 HG2 LYS 3 2HG LYS 3 9.810 1.848 4.146 17 HG3 LYS 3 1HG LYS 3 9.905 3.567 3.782 18 HD2 LYS 3 2HD LYS 3 8.578 4.036 5.807 19 HD3 LYS 3 1HD LYS 3 8.605 2.312 6.190 20 HE2 LYS 3 2HE LYS 3 11.063 2.389 6.204 21 HE3 LYS 3 1HE LYS 3 10.995 4.120 5.911 22 HZ1 LYS 3 1HZ LYS 3 9.917 2.707 8.270 23 HZ2 LYS 3 2HZ LYS 3 9.813 4.380 8.029 24 HZ3 LYS 3 3HZ LYS 3 11.305 3.650 8.248 25 H GLU 4 HN GLU 4 6.880 0.218 2.731 26 HA GLU 4 HA GLU 4 8.826 -1.563 1.530 27 HB2 GLU 4 2HB GLU 4 7.499 -1.840 4.190 28 HB3 GLU 4 1HB GLU 4 8.524 -3.027 3.408 29 HG2 GLU 4 2HG GLU 4 10.460 -1.572 3.642 30 HG3 GLU 4 1HG GLU 4 9.446 -0.295 4.310 31 H TYR 5 HN TYR 5 7.614 -2.308 0.011 32 HA TYR 5 HA TYR 5 4.788 -2.396 -0.143 33 HB2 TYR 5 2HB TYR 5 6.358 -2.451 -2.102 34 HB3 TYR 5 1HB TYR 5 6.724 -4.114 -1.704 35 HD1 TYR 5 1HD TYR 5 5.272 -5.904 -2.376 36 HD2 TYR 5 2HD TYR 5 4.026 -1.863 -2.884 37 HE1 TYR 5 1HE TYR 5 3.398 -6.659 -3.761 38 HE2 TYR 5 2HE TYR 5 2.149 -2.612 -4.267 39 HH TYR 5 HH TYR 5 1.563 -4.565 -5.678 40 H TRP 6 HN TRP 6 7.101 -4.860 0.462 41 HA TRP 6 HA TRP 6 5.360 -7.058 0.789 42 HB2 TRP 6 2HB TRP 6 7.282 -8.188 1.916 43 HB3 TRP 6 1HB TRP 6 7.704 -7.458 0.371 44 HD1 TRP 6 1HD TRP 6 8.326 -7.104 4.124 45 HE1 TRP 6 1HE TRP 6 10.333 -5.511 4.484 46 HE3 TRP 6 3HE TRP 6 9.031 -5.536 -0.692 47 HZ2 TRP 6 2HZ TRP 6 11.978 -3.859 2.956 48 HZ3 TRP 6 3HZ TRP 6 10.850 -3.951 -1.151 49 HH2 TRP 6 2HH TRP 6 12.292 -3.134 0.640 50 H GLU 7 HN GLU 7 6.251 -4.548 2.997 51 HA GLU 7 HA GLU 7 5.518 -5.851 5.428 52 HB2 GLU 7 2HB GLU 7 7.064 -3.945 5.353 53 HB3 GLU 7 1HB GLU 7 5.785 -2.936 4.707 54 HG2 GLU 7 2HG GLU 7 6.188 -2.463 7.046 55 HG3 GLU 7 1HG GLU 7 4.571 -3.117 6.798 56 H CYS 8 HN CYS 8 3.930 -4.037 3.032 57 HA CYS 8 HA CYS 8 1.502 -3.782 4.556 58 HB2 CYS 8 2HB CYS 8 2.187 -2.970 1.751 59 HB3 CYS 8 1HB CYS 8 0.750 -2.508 2.658 60 H GLY 9 HN GLY 9 2.681 -5.402 1.689 61 HA2 GLY 9 2HA GLY 9 1.900 -7.758 1.500 62 HA3 GLY 9 1HA GLY 9 0.284 -7.107 1.763 63 H ALA 10 HN ALA 10 0.209 -8.375 -0.367 64 HA ALA 10 HA ALA 10 1.251 -6.926 -2.643 65 HB1 ALA 10 1HB ALA 10 1.319 -9.370 -2.640 66 HB2 ALA 10 2HB ALA 10 0.323 -8.760 -3.961 67 HB3 ALA 10 3HB ALA 10 -0.438 -9.420 -2.512 68 H PHE 11 HN PHE 11 0.085 -5.768 -4.049 69 HA PHE 11 HA PHE 11 -1.577 -4.687 -5.070 70 HB2 PHE 11 2HB PHE 11 -3.392 -6.636 -3.652 71 HB3 PHE 11 1HB PHE 11 -3.967 -5.433 -4.798 72 HD1 PHE 11 1HD PHE 11 -3.307 -5.583 -7.163 73 HD2 PHE 11 2HD PHE 11 -2.323 -8.636 -4.375 74 HE1 PHE 11 1HE PHE 11 -2.867 -7.119 -9.013 75 HE2 PHE 11 2HE PHE 11 -1.874 -10.181 -6.232 76 HZ PHE 11 HZ PHE 11 -2.149 -9.412 -8.559 77 H LEU 12 HN LEU 12 -0.679 -4.113 -2.244 78 HA LEU 12 HA LEU 12 -2.859 -2.463 -1.301 79 HB2 LEU 12 2HB LEU 12 -0.057 -2.975 -0.351 80 HB3 LEU 12 1HB LEU 12 -0.915 -1.558 0.202 81 HG LEU 12 HG LEU 12 -0.997 -3.370 1.847 82 HD11 LEU 12 1HD1 LEU 12 -3.679 -2.806 0.635 83 HD12 LEU 12 2HD1 LEU 12 -2.805 -1.790 1.778 84 HD13 LEU 12 3HD1 LEU 12 -3.372 -3.383 2.271 85 HD21 LEU 12 1HD2 LEU 12 -0.911 -5.297 0.351 86 HD22 LEU 12 2HD2 LEU 12 -2.526 -4.914 -0.244 87 HD23 LEU 12 3HD2 LEU 12 -2.296 -5.400 1.436 88 H PHE 13 HN PHE 13 -2.919 -0.213 -1.398 89 HA PHE 13 HA PHE 13 -1.018 0.983 -3.278 90 HB2 PHE 13 2HB PHE 13 -3.897 1.672 -2.664 91 HB3 PHE 13 1HB PHE 13 -2.828 2.736 -3.564 92 HD1 PHE 13 1HD PHE 13 -4.359 -0.634 -3.589 93 HD2 PHE 13 2HD PHE 13 -2.528 2.460 -5.853 94 HE1 PHE 13 1HE PHE 13 -4.974 -1.789 -5.650 95 HE2 PHE 13 2HE PHE 13 -3.143 1.301 -7.933 96 HZ PHE 13 HZ PHE 13 -4.371 -0.829 -7.830 97 H CYS 14 HN CYS 14 -0.046 2.867 -2.653 98 HA CYS 14 HA CYS 14 -0.330 3.353 0.188 99 HB2 CYS 14 2HB CYS 14 1.879 4.146 -1.661 100 HB3 CYS 14 1HB CYS 14 1.864 4.365 0.080 101 H ILE 15 HN ILE 15 -1.021 5.072 0.943 102 HA ILE 15 HA ILE 15 -1.444 7.459 -0.659 103 HB ILE 15 HB ILE 15 -3.515 6.202 1.176 104 HG12 ILE 15 2HG1 ILE 15 -3.601 6.409 -1.853 105 HG13 ILE 15 1HG1 ILE 15 -3.305 4.928 -0.957 106 HG21 ILE 15 1HG2 ILE 15 -3.605 8.611 1.169 107 HG22 ILE 15 2HG2 ILE 15 -4.994 7.979 0.276 108 HG23 ILE 15 3HG2 ILE 15 -3.605 8.632 -0.593 109 HD11 ILE 15 1HD1 ILE 15 -5.550 5.074 0.006 110 HD12 ILE 15 2HD1 ILE 15 -5.595 5.042 -1.757 111 HD13 ILE 15 3HD1 ILE 15 -5.833 6.563 -0.895 112 H GLU 16 HN GLU 16 -0.386 8.882 0.429 113 HA GLU 16 HA GLU 16 0.537 10.186 1.983 114 HB2 GLU 16 2HB GLU 16 -1.512 8.844 3.642 115 HB3 GLU 16 1HB GLU 16 -0.470 10.151 4.257 116 HG2 GLU 16 2HG GLU 16 -1.423 11.646 2.567 117 HG3 GLU 16 1HG GLU 16 -2.439 10.333 1.972 118 H GLY 17 HN GLY 17 1.412 7.488 1.431 119 HA2 GLY 17 2HA GLY 17 3.367 6.342 2.050 120 HA3 GLY 17 1HA GLY 17 3.401 7.281 3.537 121 H ILE 18 HN ILE 18 0.367 6.131 3.264 122 HA ILE 18 HA ILE 18 0.936 3.850 5.014 123 HB ILE 18 HB ILE 18 -1.681 5.338 4.586 124 HG12 ILE 18 2HG1 ILE 18 0.282 5.657 6.874 125 HG13 ILE 18 1HG1 ILE 18 0.086 6.809 5.560 126 HG21 ILE 18 1HG2 ILE 18 -2.356 4.239 6.676 127 HG22 ILE 18 2HG2 ILE 18 -0.804 3.403 6.736 128 HG23 ILE 18 3HG2 ILE 18 -1.939 3.062 5.430 129 HD11 ILE 18 1HD1 ILE 18 -2.016 6.050 7.579 130 HD12 ILE 18 2HD1 ILE 18 -2.221 7.209 6.265 131 HD13 ILE 18 3HD1 ILE 18 -1.076 7.543 7.563 132 H CYS 19 HN CYS 19 0.149 1.834 4.373 133 HA CYS 19 HA CYS 19 -0.653 1.645 1.600 134 HB2 CYS 19 2HB CYS 19 -0.087 -0.526 3.610 135 HB3 CYS 19 1HB CYS 19 -0.261 -0.712 1.875 136 H VAL 20 HN VAL 20 -2.707 1.686 1.098 137 HA VAL 20 HA VAL 20 -4.689 0.678 3.022 138 HB VAL 20 HB VAL 20 -5.073 2.853 0.935 139 HG11 VAL 20 1HG1 VAL 20 -7.177 3.325 2.081 140 HG12 VAL 20 2HG1 VAL 20 -6.869 1.995 3.194 141 HG13 VAL 20 3HG1 VAL 20 -7.125 1.666 1.482 142 HG21 VAL 20 1HG2 VAL 20 -3.560 3.662 2.653 143 HG22 VAL 20 2HG2 VAL 20 -4.686 3.153 3.910 144 HG23 VAL 20 3HG2 VAL 20 -5.132 4.453 2.802 145 HA PRO 21 HA PRO 21 -5.648 -2.084 -0.422 146 HB2 PRO 21 2HB PRO 21 -8.035 -3.032 0.556 147 HB3 PRO 21 1HB PRO 21 -6.466 -3.639 1.092 148 HG2 PRO 21 2HG PRO 21 -8.286 -1.670 2.403 149 HG3 PRO 21 1HG PRO 21 -7.310 -2.955 3.136 150 HD2 PRO 21 2HD PRO 21 -6.580 -0.343 3.166 151 HD3 PRO 21 1HD PRO 21 -5.403 -1.670 3.143 152 H MET 22 HN MET 22 -6.665 -1.555 -2.299 153 HA MET 22 HA MET 22 -8.525 0.587 -2.099 154 HB2 MET 22 2HB MET 22 -6.514 1.104 -3.351 155 HB3 MET 22 1HB MET 22 -6.843 -0.252 -4.431 156 HG2 MET 22 2HG MET 22 -7.366 1.946 -5.413 157 HG3 MET 22 1HG MET 22 -8.757 0.864 -5.328 158 HE1 MET 22 1HE MET 22 -10.281 4.438 -4.778 159 HE2 MET 22 2HE MET 22 -10.312 2.983 -5.774 160 HE3 MET 22 3HE MET 22 -8.896 4.037 -5.794 161 H ILE 23 HN ILE 23 -10.283 0.587 -3.506 162 HA ILE 23 HA ILE 23 -11.313 -2.097 -3.979 163 HB ILE 23 HB ILE 23 -12.761 -0.845 -2.543 164 HG12 ILE 23 2HG1 ILE 23 -14.001 -0.936 -5.307 165 HG13 ILE 23 1HG1 ILE 23 -13.903 -2.271 -4.166 166 HG21 ILE 23 1HG2 ILE 23 -13.821 1.290 -3.140 167 HG22 ILE 23 2HG2 ILE 23 -12.821 1.357 -4.590 168 HG23 ILE 23 3HG2 ILE 23 -12.066 1.405 -2.997 169 HD11 ILE 23 1HD1 ILE 23 -15.461 0.272 -3.787 170 HD12 ILE 23 2HD1 ILE 23 -15.353 -1.057 -2.631 171 HD13 ILE 23 3HD1 ILE 23 -16.117 -1.314 -4.199 172 HN1 NH2 24 HN1 NH2 24 -10.548 -2.681 -5.886 173 HN2 NH2 24 HN2 NH2 24 -10.774 -1.826 -7.370 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 2.431 6.596 -2.382 2 H2 ALA 1 2HT ALA 1 2.954 7.908 -3.300 3 H3 ALA 1 3HT ALA 1 3.688 7.542 -1.810 4 HA ALA 1 HA ALA 1 3.756 5.781 -4.146 5 HB1 ALA 1 1HB ALA 1 5.895 7.549 -2.960 6 HB2 ALA 1 2HB ALA 1 5.113 7.776 -4.526 7 HB3 ALA 1 3HB ALA 1 6.137 6.368 -4.244 8 H CYS 2 HN CYS 2 3.982 3.740 -3.459 9 HA CYS 2 HA CYS 2 4.423 3.055 -0.750 10 HB2 CYS 2 2HB CYS 2 4.622 1.356 -3.243 11 HB3 CYS 2 1HB CYS 2 4.615 0.728 -1.600 12 H LYS 3 HN LYS 3 6.226 2.271 0.279 13 HA LYS 3 HA LYS 3 8.756 2.800 -1.113 14 HB2 LYS 3 2HB LYS 3 8.122 2.697 1.824 15 HB3 LYS 3 1HB LYS 3 9.741 2.867 1.174 16 HG2 LYS 3 2HG LYS 3 9.003 4.962 0.063 17 HG3 LYS 3 1HG LYS 3 7.454 4.799 0.892 18 HD2 LYS 3 2HD LYS 3 8.895 6.318 2.137 19 HD3 LYS 3 1HD LYS 3 8.635 4.842 3.057 20 HE2 LYS 3 2HE LYS 3 10.982 5.575 3.149 21 HE3 LYS 3 1HE LYS 3 10.816 4.000 2.396 22 HZ1 LYS 3 1HZ LYS 3 12.373 5.463 1.216 23 HZ2 LYS 3 2HZ LYS 3 11.136 6.556 0.883 24 HZ3 LYS 3 3HZ LYS 3 11.104 5.013 0.228 25 H GLU 4 HN GLU 4 7.405 0.575 1.289 26 HA GLU 4 HA GLU 4 9.171 -1.467 0.194 27 HB2 GLU 4 2HB GLU 4 8.589 -0.773 3.020 28 HB3 GLU 4 1HB GLU 4 8.873 -2.448 2.623 29 HG2 GLU 4 2HG GLU 4 10.913 -1.391 3.450 30 HG3 GLU 4 1HG GLU 4 11.091 -1.927 1.795 31 H TYR 5 HN TYR 5 8.313 -3.228 -0.376 32 HA TYR 5 HA TYR 5 5.536 -3.534 -0.811 33 HB2 TYR 5 2HB TYR 5 7.379 -4.508 -2.186 34 HB3 TYR 5 1HB TYR 5 7.716 -5.614 -0.877 35 HD1 TYR 5 1HD TYR 5 6.318 -7.558 -0.480 36 HD2 TYR 5 2HD TYR 5 5.346 -4.772 -3.538 37 HE1 TYR 5 1HE TYR 5 4.733 -9.169 -1.427 38 HE2 TYR 5 2HE TYR 5 3.771 -6.356 -4.494 39 HH TYR 5 HH TYR 5 2.742 -9.180 -2.864 40 H TRP 6 HN TRP 6 7.776 -4.989 1.347 41 HA TRP 6 HA TRP 6 5.959 -6.765 2.599 42 HB2 TRP 6 2HB TRP 6 7.752 -7.134 4.288 43 HB3 TRP 6 1HB TRP 6 8.237 -7.316 2.602 44 HD1 TRP 6 1HD TRP 6 10.145 -5.807 1.704 45 HE1 TRP 6 1HE TRP 6 11.725 -4.095 2.791 46 HE3 TRP 6 3HE TRP 6 7.799 -5.287 6.217 47 HZ2 TRP 6 2HZ TRP 6 11.937 -2.702 5.230 48 HZ3 TRP 6 3HZ TRP 6 8.758 -3.745 7.859 49 HH2 TRP 6 2HH TRP 6 10.788 -2.479 7.366 50 H GLU 7 HN GLU 7 6.471 -3.460 3.078 51 HA GLU 7 HA GLU 7 5.577 -3.412 5.788 52 HB2 GLU 7 2HB GLU 7 6.797 -1.455 4.791 53 HB3 GLU 7 1HB GLU 7 5.379 -1.121 3.803 54 HG2 GLU 7 2HG GLU 7 4.048 -0.801 5.840 55 HG3 GLU 7 1HG GLU 7 5.480 -1.091 6.812 56 H CYS 8 HN CYS 8 4.034 -3.364 2.732 57 HA CYS 8 HA CYS 8 1.406 -3.130 3.867 58 HB2 CYS 8 2HB CYS 8 2.332 -3.799 1.073 59 HB3 CYS 8 1HB CYS 8 0.665 -3.538 1.556 60 H GLY 9 HN GLY 9 3.550 -5.546 2.563 61 HA2 GLY 9 2HA GLY 9 3.620 -7.766 3.446 62 HA3 GLY 9 1HA GLY 9 1.893 -7.645 3.796 63 H ALA 10 HN ALA 10 0.648 -7.004 1.758 64 HA ALA 10 HA ALA 10 1.546 -8.697 -0.448 65 HB1 ALA 10 1HB ALA 10 -1.252 -7.912 0.375 66 HB2 ALA 10 2HB ALA 10 -0.514 -9.494 0.623 67 HB3 ALA 10 3HB ALA 10 -0.834 -8.914 -1.012 68 H PHE 11 HN PHE 11 0.387 -7.778 -2.583 69 HA PHE 11 HA PHE 11 1.379 -5.116 -2.724 70 HB2 PHE 11 2HB PHE 11 0.697 -5.175 -5.154 71 HB3 PHE 11 1HB PHE 11 1.859 -6.393 -4.675 72 HD1 PHE 11 1HD PHE 11 -1.442 -5.731 -6.004 73 HD2 PHE 11 2HD PHE 11 1.167 -8.743 -4.526 74 HE1 PHE 11 1HE PHE 11 -2.849 -7.450 -7.034 75 HE2 PHE 11 2HE PHE 11 -0.245 -10.467 -5.546 76 HZ PHE 11 HZ PHE 11 -2.255 -9.815 -6.801 77 H LEU 12 HN LEU 12 0.367 -3.668 -1.784 78 HA LEU 12 HA LEU 12 -2.471 -3.305 -2.344 79 HB2 LEU 12 2HB LEU 12 -2.043 -4.358 -0.122 80 HB3 LEU 12 1HB LEU 12 -1.079 -2.974 0.321 81 HG LEU 12 HG LEU 12 -3.026 -1.563 0.420 82 HD11 LEU 12 1HD1 LEU 12 -5.266 -2.477 -0.055 83 HD12 LEU 12 2HD1 LEU 12 -4.530 -3.994 -0.580 84 HD13 LEU 12 3HD1 LEU 12 -4.252 -2.511 -1.496 85 HD21 LEU 12 1HD2 LEU 12 -4.297 -2.697 2.161 86 HD22 LEU 12 2HD2 LEU 12 -2.563 -2.948 2.358 87 HD23 LEU 12 3HD2 LEU 12 -3.570 -4.236 1.697 88 H PHE 13 HN PHE 13 -3.123 -1.041 -2.100 89 HA PHE 13 HA PHE 13 -1.090 0.677 -3.195 90 HB2 PHE 13 2HB PHE 13 -4.047 1.074 -2.742 91 HB3 PHE 13 1HB PHE 13 -2.993 2.288 -3.458 92 HD1 PHE 13 1HD PHE 13 -4.543 -1.013 -3.950 93 HD2 PHE 13 2HD PHE 13 -2.200 2.079 -5.682 94 HE1 PHE 13 1HE PHE 13 -4.843 -2.028 -6.161 95 HE2 PHE 13 2HE PHE 13 -2.495 1.076 -7.887 96 HZ PHE 13 HZ PHE 13 -3.819 -0.992 -8.137 97 H CYS 14 HN CYS 14 -0.336 2.530 -2.297 98 HA CYS 14 HA CYS 14 -0.796 2.682 0.583 99 HB2 CYS 14 2HB CYS 14 1.511 3.843 -0.945 100 HB3 CYS 14 1HB CYS 14 1.379 3.599 0.786 101 H ILE 15 HN ILE 15 -1.653 4.404 1.385 102 HA ILE 15 HA ILE 15 -1.675 6.894 -0.096 103 HB ILE 15 HB ILE 15 -4.018 5.746 1.471 104 HG12 ILE 15 2HG1 ILE 15 -5.328 6.191 -0.714 105 HG13 ILE 15 1HG1 ILE 15 -3.766 6.337 -1.494 106 HG21 ILE 15 1HG2 ILE 15 -5.231 7.825 0.908 107 HG22 ILE 15 2HG2 ILE 15 -3.743 8.463 0.210 108 HG23 ILE 15 3HG2 ILE 15 -3.819 8.092 1.931 109 HD11 ILE 15 1HD1 ILE 15 -4.859 3.894 -0.120 110 HD12 ILE 15 2HD1 ILE 15 -3.271 4.013 -0.877 111 HD13 ILE 15 3HD1 ILE 15 -4.730 4.150 -1.859 112 H GLU 16 HN GLU 16 -0.530 8.104 1.059 113 HA GLU 16 HA GLU 16 0.518 9.190 2.715 114 HB2 GLU 16 2HB GLU 16 -1.974 8.352 4.061 115 HB3 GLU 16 1HB GLU 16 -0.735 9.314 4.897 116 HG2 GLU 16 2HG GLU 16 -2.168 10.082 2.355 117 HG3 GLU 16 1HG GLU 16 -2.520 10.734 3.960 118 H GLY 17 HN GLY 17 0.945 6.342 2.313 119 HA2 GLY 17 2HA GLY 17 2.724 5.055 3.164 120 HA3 GLY 17 1HA GLY 17 2.620 5.971 4.666 121 H ILE 18 HN ILE 18 -0.407 5.180 3.847 122 HA ILE 18 HA ILE 18 -0.397 2.809 5.565 123 HB ILE 18 HB ILE 18 -2.736 4.574 4.757 124 HG12 ILE 18 2HG1 ILE 18 -1.169 4.650 7.347 125 HG13 ILE 18 1HG1 ILE 18 -1.023 5.839 6.061 126 HG21 ILE 18 1HG2 ILE 18 -3.859 3.501 6.660 127 HG22 ILE 18 2HG2 ILE 18 -2.418 2.528 6.958 128 HG23 ILE 18 3HG2 ILE 18 -3.335 2.311 5.468 129 HD11 ILE 18 1HD1 ILE 18 -2.429 6.655 7.857 130 HD12 ILE 18 2HD1 ILE 18 -3.500 5.267 7.670 131 HD13 ILE 18 3HD1 ILE 18 -3.367 6.458 6.376 132 H CYS 19 HN CYS 19 -0.893 0.903 4.546 133 HA CYS 19 HA CYS 19 -1.445 1.027 1.730 134 HB2 CYS 19 2HB CYS 19 -1.272 -1.451 3.442 135 HB3 CYS 19 1HB CYS 19 -0.976 -1.297 1.723 136 H VAL 20 HN VAL 20 -3.440 1.238 1.050 137 HA VAL 20 HA VAL 20 -5.676 0.053 2.541 138 HB VAL 20 HB VAL 20 -5.672 2.844 1.324 139 HG11 VAL 20 1HG1 VAL 20 -7.863 3.129 2.358 140 HG12 VAL 20 2HG1 VAL 20 -7.806 1.460 2.924 141 HG13 VAL 20 3HG1 VAL 20 -7.854 1.800 1.196 142 HG21 VAL 20 1HG2 VAL 20 -5.674 2.069 4.238 143 HG22 VAL 20 2HG2 VAL 20 -5.873 3.707 3.615 144 HG23 VAL 20 3HG2 VAL 20 -4.355 2.846 3.364 145 HA PRO 21 HA PRO 21 -6.711 -1.498 -1.574 146 HB2 PRO 21 2HB PRO 21 -9.493 -1.268 -0.515 147 HB3 PRO 21 1HB PRO 21 -8.700 -2.653 -1.275 148 HG2 PRO 21 2HG PRO 21 -9.109 -2.618 1.351 149 HG3 PRO 21 1HG PRO 21 -7.604 -3.266 0.678 150 HD2 PRO 21 2HD PRO 21 -8.105 -0.647 2.020 151 HD3 PRO 21 1HD PRO 21 -6.688 -1.717 2.106 152 H MET 22 HN MET 22 -6.788 -0.184 -3.265 153 HA MET 22 HA MET 22 -7.500 2.475 -3.121 154 HB2 MET 22 2HB MET 22 -5.900 1.346 -4.750 155 HB3 MET 22 1HB MET 22 -7.367 0.871 -5.615 156 HG2 MET 22 2HG MET 22 -7.926 3.158 -6.047 157 HG3 MET 22 1HG MET 22 -6.542 3.707 -5.099 158 HE1 MET 22 1HE MET 22 -5.602 5.195 -7.045 159 HE2 MET 22 2HE MET 22 -7.009 4.755 -8.015 160 HE3 MET 22 3HE MET 22 -5.390 4.626 -8.702 161 H ILE 23 HN ILE 23 -9.207 3.506 -4.008 162 HA ILE 23 HA ILE 23 -11.687 1.997 -3.859 163 HB ILE 23 HB ILE 23 -11.347 5.013 -4.064 164 HG12 ILE 23 2HG1 ILE 23 -11.822 3.300 -1.607 165 HG13 ILE 23 1HG1 ILE 23 -10.281 4.030 -2.034 166 HG21 ILE 23 1HG2 ILE 23 -13.552 4.222 -4.755 167 HG22 ILE 23 2HG2 ILE 23 -13.653 5.085 -3.220 168 HG23 ILE 23 3HG2 ILE 23 -13.717 3.323 -3.248 169 HD11 ILE 23 1HD1 ILE 23 -11.431 5.297 -0.309 170 HD12 ILE 23 2HD1 ILE 23 -12.820 5.508 -1.376 171 HD13 ILE 23 3HD1 ILE 23 -11.272 6.247 -1.786 172 HN1 NH2 24 HN1 NH2 24 -10.807 4.722 -5.929 173 HN2 NH2 24 HN2 NH2 24 -11.418 4.036 -7.391 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 3.227 4.426 -3.552 2 H2 ALA 1 2HT ALA 1 4.128 5.704 -4.181 3 H3 ALA 1 3HT ALA 1 3.171 5.929 -2.811 4 HA ALA 1 HA ALA 1 5.479 4.137 -2.901 5 HB1 ALA 1 1HB ALA 1 6.165 6.480 -3.114 6 HB2 ALA 1 2HB ALA 1 6.617 5.817 -1.542 7 HB3 ALA 1 3HB ALA 1 5.221 6.883 -1.680 8 H CYS 2 HN CYS 2 5.466 2.740 -1.287 9 HA CYS 2 HA CYS 2 3.504 3.018 0.875 10 HB2 CYS 2 2HB CYS 2 5.251 0.629 0.201 11 HB3 CYS 2 1HB CYS 2 3.787 0.643 1.171 12 H LYS 3 HN LYS 3 4.453 2.335 3.123 13 HA LYS 3 HA LYS 3 6.892 3.753 3.614 14 HB2 LYS 3 2HB LYS 3 5.074 3.484 5.302 15 HB3 LYS 3 1HB LYS 3 5.392 1.761 5.339 16 HG2 LYS 3 2HG LYS 3 7.820 2.565 5.970 17 HG3 LYS 3 1HG LYS 3 6.922 3.983 6.528 18 HD2 LYS 3 2HD LYS 3 6.397 1.126 7.332 19 HD3 LYS 3 1HD LYS 3 7.164 2.363 8.326 20 HE2 LYS 3 2HE LYS 3 5.165 3.604 8.476 21 HE3 LYS 3 1HE LYS 3 4.382 2.642 7.220 22 HZ1 LYS 3 1HZ LYS 3 4.523 0.734 8.694 23 HZ2 LYS 3 2HZ LYS 3 3.598 1.973 9.368 24 HZ3 LYS 3 3HZ LYS 3 5.171 1.691 9.923 25 H GLU 4 HN GLU 4 5.919 0.346 3.907 26 HA GLU 4 HA GLU 4 8.472 -0.485 2.887 27 HB2 GLU 4 2HB GLU 4 7.094 -1.453 5.368 28 HB3 GLU 4 1HB GLU 4 8.357 -2.356 4.559 29 HG2 GLU 4 2HG GLU 4 9.934 -0.513 4.954 30 HG3 GLU 4 1HG GLU 4 8.655 0.401 5.749 31 H TYR 5 HN TYR 5 8.133 -1.821 1.332 32 HA TYR 5 HA TYR 5 5.642 -2.399 0.230 33 HB2 TYR 5 2HB TYR 5 7.814 -2.377 -0.972 34 HB3 TYR 5 1HB TYR 5 8.228 -3.886 -0.186 35 HD1 TYR 5 1HD TYR 5 5.556 -2.421 -2.334 36 HD2 TYR 5 2HD TYR 5 7.831 -5.870 -1.330 37 HE1 TYR 5 1HE TYR 5 4.543 -3.623 -4.197 38 HE2 TYR 5 2HE TYR 5 6.818 -7.092 -3.187 39 HH TYR 5 HH TYR 5 4.900 -7.029 -4.616 40 H TRP 6 HN TRP 6 7.796 -4.495 1.905 41 HA TRP 6 HA TRP 6 6.214 -6.836 1.974 42 HB2 TRP 6 2HB TRP 6 7.814 -7.491 3.857 43 HB3 TRP 6 1HB TRP 6 8.493 -7.108 2.269 44 HD1 TRP 6 1HD TRP 6 8.093 -5.487 5.760 45 HE1 TRP 6 1HE TRP 6 9.973 -3.711 6.008 46 HE3 TRP 6 3HE TRP 6 10.159 -5.782 1.105 47 HZ2 TRP 6 2HZ TRP 6 12.027 -2.638 4.474 48 HZ3 TRP 6 3HZ TRP 6 12.082 -4.356 0.578 49 HH2 TRP 6 2HH TRP 6 12.996 -2.815 2.229 50 H GLU 7 HN GLU 7 5.967 -4.035 3.806 51 HA GLU 7 HA GLU 7 4.766 -5.170 6.155 52 HB2 GLU 7 2HB GLU 7 5.933 -3.025 6.267 53 HB3 GLU 7 1HB GLU 7 4.825 -2.333 5.098 54 HG2 GLU 7 2HG GLU 7 2.998 -2.605 6.743 55 HG3 GLU 7 1HG GLU 7 4.178 -3.204 7.906 56 H CYS 8 HN CYS 8 3.715 -4.298 3.036 57 HA CYS 8 HA CYS 8 0.927 -4.466 3.877 58 HB2 CYS 8 2HB CYS 8 2.140 -3.014 1.568 59 HB3 CYS 8 1HB CYS 8 0.465 -2.976 2.108 60 H GLY 9 HN GLY 9 3.210 -5.224 1.305 61 HA2 GLY 9 2HA GLY 9 3.110 -7.444 0.321 62 HA3 GLY 9 1HA GLY 9 1.353 -7.307 0.374 63 H ALA 10 HN ALA 10 1.475 -7.756 -1.923 64 HA ALA 10 HA ALA 10 2.489 -5.576 -3.580 65 HB1 ALA 10 1HB ALA 10 2.217 -7.143 -5.426 66 HB2 ALA 10 2HB ALA 10 1.504 -8.323 -4.329 67 HB3 ALA 10 3HB ALA 10 3.194 -7.854 -4.138 68 H PHE 11 HN PHE 11 1.150 -4.700 -5.209 69 HA PHE 11 HA PHE 11 -0.673 -3.884 -6.185 70 HB2 PHE 11 2HB PHE 11 -1.927 -6.430 -5.176 71 HB3 PHE 11 1HB PHE 11 -2.806 -5.290 -6.181 72 HD1 PHE 11 1HD PHE 11 -2.119 -4.915 -8.507 73 HD2 PHE 11 2HD PHE 11 -0.229 -7.856 -6.085 74 HE1 PHE 11 1HE PHE 11 -1.158 -5.950 -10.523 75 HE2 PHE 11 2HE PHE 11 0.739 -8.898 -8.091 76 HZ PHE 11 HZ PHE 11 0.278 -7.946 -10.316 77 H LEU 12 HN LEU 12 -0.181 -3.460 -3.166 78 HA LEU 12 HA LEU 12 -2.801 -2.504 -2.376 79 HB2 LEU 12 2HB LEU 12 -0.115 -2.419 -1.019 80 HB3 LEU 12 1HB LEU 12 -1.409 -1.383 -0.478 81 HG LEU 12 HG LEU 12 -1.285 -3.274 0.960 82 HD11 LEU 12 1HD1 LEU 12 -3.496 -2.438 0.509 83 HD12 LEU 12 2HD1 LEU 12 -3.521 -4.172 0.809 84 HD13 LEU 12 3HD1 LEU 12 -3.674 -3.568 -0.835 85 HD21 LEU 12 1HD2 LEU 12 -1.619 -5.579 0.179 86 HD22 LEU 12 2HD2 LEU 12 -0.160 -4.864 -0.502 87 HD23 LEU 12 3HD2 LEU 12 -1.616 -5.007 -1.487 88 H PHE 13 HN PHE 13 -3.453 -0.428 -2.308 89 HA PHE 13 HA PHE 13 -1.977 1.350 -4.032 90 HB2 PHE 13 2HB PHE 13 -4.712 1.596 -2.746 91 HB3 PHE 13 1HB PHE 13 -4.020 2.771 -3.859 92 HD1 PHE 13 1HD PHE 13 -3.931 2.333 -6.226 93 HD2 PHE 13 2HD PHE 13 -5.417 -0.614 -3.539 94 HE1 PHE 13 1HE PHE 13 -4.830 1.066 -8.120 95 HE2 PHE 13 2HE PHE 13 -6.321 -1.889 -5.436 96 HZ PHE 13 HZ PHE 13 -6.031 -1.049 -7.729 97 H CYS 14 HN CYS 14 -0.472 2.426 -3.087 98 HA CYS 14 HA CYS 14 -0.754 3.066 -0.262 99 HB2 CYS 14 2HB CYS 14 1.715 3.008 -1.984 100 HB3 CYS 14 1HB CYS 14 1.655 3.337 -0.256 101 H ILE 15 HN ILE 15 -0.521 5.064 0.492 102 HA ILE 15 HA ILE 15 -0.007 7.224 -1.303 103 HB ILE 15 HB ILE 15 -2.347 7.011 -1.561 104 HG12 ILE 15 2HG1 ILE 15 -1.864 9.237 0.427 105 HG13 ILE 15 1HG1 ILE 15 -1.540 9.310 -1.301 106 HG21 ILE 15 1HG2 ILE 15 -3.982 7.034 0.302 107 HG22 ILE 15 2HG2 ILE 15 -2.638 6.903 1.437 108 HG23 ILE 15 3HG2 ILE 15 -2.949 5.605 0.288 109 HD11 ILE 15 1HD1 ILE 15 -3.621 10.447 -0.726 110 HD12 ILE 15 2HD1 ILE 15 -4.247 8.954 -0.036 111 HD13 ILE 15 3HD1 ILE 15 -3.917 9.055 -1.763 112 H GLU 16 HN GLU 16 1.466 8.276 -0.360 113 HA GLU 16 HA GLU 16 2.776 9.376 1.081 114 HB2 GLU 16 2HB GLU 16 0.272 9.246 2.654 115 HB3 GLU 16 1HB GLU 16 1.676 10.204 3.163 116 HG2 GLU 16 2HG GLU 16 1.455 11.615 1.233 117 HG3 GLU 16 1HG GLU 16 0.239 10.545 0.537 118 H GLY 17 HN GLY 17 2.494 6.426 1.159 119 HA2 GLY 17 2HA GLY 17 4.100 5.014 2.231 120 HA3 GLY 17 1HA GLY 17 3.962 6.007 3.674 121 H ILE 18 HN ILE 18 0.954 5.919 3.062 122 HA ILE 18 HA ILE 18 0.415 3.675 4.810 123 HB ILE 18 HB ILE 18 -1.452 5.722 3.576 124 HG12 ILE 18 2HG1 ILE 18 0.200 6.831 5.000 125 HG13 ILE 18 1HG1 ILE 18 -1.392 6.880 5.740 126 HG21 ILE 18 1HG2 ILE 18 -3.029 5.089 5.333 127 HG22 ILE 18 2HG2 ILE 18 -1.919 3.839 5.883 128 HG23 ILE 18 3HG2 ILE 18 -2.644 3.728 4.278 129 HD11 ILE 18 1HD1 ILE 18 0.843 5.011 6.488 130 HD12 ILE 18 2HD1 ILE 18 -0.761 5.071 7.223 131 HD13 ILE 18 3HD1 ILE 18 0.331 6.443 7.385 132 H CYS 19 HN CYS 19 -0.405 1.760 4.077 133 HA CYS 19 HA CYS 19 -0.915 1.534 1.217 134 HB2 CYS 19 2HB CYS 19 -0.774 -0.689 3.250 135 HB3 CYS 19 1HB CYS 19 -0.652 -0.782 1.510 136 H VAL 20 HN VAL 20 -2.979 1.850 0.656 137 HA VAL 20 HA VAL 20 -5.043 1.104 2.570 138 HB VAL 20 HB VAL 20 -5.188 2.993 0.202 139 HG11 VAL 20 1HG1 VAL 20 -7.328 1.921 0.631 140 HG12 VAL 20 2HG1 VAL 20 -7.387 3.622 1.086 141 HG13 VAL 20 3HG1 VAL 20 -7.236 2.383 2.331 142 HG21 VAL 20 1HG2 VAL 20 -5.376 4.774 1.889 143 HG22 VAL 20 2HG2 VAL 20 -3.836 3.922 1.999 144 HG23 VAL 20 3HG2 VAL 20 -5.116 3.580 3.161 145 HA PRO 21 HA PRO 21 -6.015 -2.061 -0.528 146 HB2 PRO 21 2HB PRO 21 -8.057 -2.785 1.474 147 HB3 PRO 21 1HB PRO 21 -6.775 -3.792 0.799 148 HG2 PRO 21 2HG PRO 21 -6.724 -2.933 3.351 149 HG3 PRO 21 1HG PRO 21 -5.246 -3.154 2.398 150 HD2 PRO 21 2HD PRO 21 -6.714 -0.627 3.057 151 HD3 PRO 21 1HD PRO 21 -4.964 -0.940 2.989 152 H MET 22 HN MET 22 -7.184 -1.113 -2.086 153 HA MET 22 HA MET 22 -9.129 0.778 -1.447 154 HB2 MET 22 2HB MET 22 -7.634 0.974 -3.409 155 HB3 MET 22 1HB MET 22 -8.539 -0.384 -4.114 156 HG2 MET 22 2HG MET 22 -10.532 0.943 -4.216 157 HG3 MET 22 1HG MET 22 -9.719 2.282 -3.407 158 HE1 MET 22 1HE MET 22 -8.310 -0.096 -6.274 159 HE2 MET 22 2HE MET 22 -8.741 0.850 -7.698 160 HE3 MET 22 3HE MET 22 -10.005 0.154 -6.687 161 H ILE 23 HN ILE 23 -11.200 0.627 -1.729 162 HA ILE 23 HA ILE 23 -12.375 -1.934 -2.409 163 HB ILE 23 HB ILE 23 -12.079 -1.869 -0.004 164 HG12 ILE 23 2HG1 ILE 23 -14.435 -2.342 0.724 165 HG13 ILE 23 1HG1 ILE 23 -14.977 -1.708 -0.827 166 HG21 ILE 23 1HG2 ILE 23 -12.103 0.444 0.517 167 HG22 ILE 23 2HG2 ILE 23 -13.358 -0.351 1.470 168 HG23 ILE 23 3HG2 ILE 23 -13.794 0.588 0.042 169 HD11 ILE 23 1HD1 ILE 23 -13.760 -3.478 -1.981 170 HD12 ILE 23 2HD1 ILE 23 -14.900 -4.145 -0.818 171 HD13 ILE 23 3HD1 ILE 23 -13.180 -4.094 -0.435 172 HN1 NH2 24 HN1 NH2 24 -13.563 -1.504 -4.101 173 HN2 NH2 24 HN2 NH2 24 -14.531 -0.102 -4.358 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 5.689 8.502 -1.337 2 H2 ALA 1 2HT ALA 1 6.526 7.603 -0.194 3 H3 ALA 1 3HT ALA 1 4.864 7.817 -0.027 4 HA ALA 1 HA ALA 1 4.480 6.517 -1.999 5 HB1 ALA 1 1HB ALA 1 6.393 5.372 -3.052 6 HB2 ALA 1 2HB ALA 1 7.486 6.208 -1.959 7 HB3 ALA 1 3HB ALA 1 6.566 7.124 -3.150 8 H CYS 2 HN CYS 2 5.361 3.930 -1.985 9 HA CYS 2 HA CYS 2 4.739 3.062 0.681 10 HB2 CYS 2 2HB CYS 2 5.589 1.423 -1.706 11 HB3 CYS 2 1HB CYS 2 4.773 0.839 -0.268 12 H LYS 3 HN LYS 3 6.190 2.444 2.143 13 HA LYS 3 HA LYS 3 9.029 2.572 1.404 14 HB2 LYS 3 2HB LYS 3 7.902 2.324 4.186 15 HB3 LYS 3 1HB LYS 3 9.516 2.841 3.728 16 HG2 LYS 3 2HG LYS 3 8.565 4.878 2.748 17 HG3 LYS 3 1HG LYS 3 6.962 4.358 3.254 18 HD2 LYS 3 2HD LYS 3 9.302 5.058 5.028 19 HD3 LYS 3 1HD LYS 3 7.795 5.949 4.856 20 HE2 LYS 3 2HE LYS 3 8.199 3.237 6.129 21 HE3 LYS 3 1HE LYS 3 7.721 4.732 6.920 22 HZ1 LYS 3 1HZ LYS 3 5.627 4.587 5.496 23 HZ2 LYS 3 2HZ LYS 3 5.836 3.456 6.707 24 HZ3 LYS 3 3HZ LYS 3 6.118 2.988 5.146 25 H GLU 4 HN GLU 4 6.848 0.633 3.430 26 HA GLU 4 HA GLU 4 8.524 -1.626 2.837 27 HB2 GLU 4 2HB GLU 4 7.623 -2.645 4.793 28 HB3 GLU 4 1HB GLU 4 8.601 -1.209 5.104 29 HG2 GLU 4 2HG GLU 4 5.547 -1.304 5.193 30 HG3 GLU 4 1HG GLU 4 6.558 -1.435 6.623 31 H TYR 5 HN TYR 5 7.649 -2.052 1.089 32 HA TYR 5 HA TYR 5 4.829 -2.321 0.519 33 HB2 TYR 5 2HB TYR 5 6.651 -1.905 -1.195 34 HB3 TYR 5 1HB TYR 5 7.097 -3.587 -1.017 35 HD1 TYR 5 1HD TYR 5 5.982 -5.283 -2.241 36 HD2 TYR 5 2HD TYR 5 4.320 -1.366 -2.070 37 HE1 TYR 5 1HE TYR 5 4.377 -5.885 -3.987 38 HE2 TYR 5 2HE TYR 5 2.715 -1.962 -3.798 39 HH TYR 5 HH TYR 5 2.583 -3.598 -5.650 40 H TRP 6 HN TRP 6 7.394 -4.446 1.230 41 HA TRP 6 HA TRP 6 6.083 -6.941 1.081 42 HB2 TRP 6 2HB TRP 6 8.001 -7.764 2.498 43 HB3 TRP 6 1HB TRP 6 8.450 -6.910 1.024 44 HD1 TRP 6 1HD TRP 6 9.692 -4.584 1.272 45 HE1 TRP 6 1HE TRP 6 10.885 -3.437 3.228 46 HE3 TRP 6 3HE TRP 6 7.925 -7.473 5.111 47 HZ2 TRP 6 2HZ TRP 6 11.055 -3.706 6.036 48 HZ3 TRP 6 3HZ TRP 6 8.655 -6.957 7.402 49 HH2 TRP 6 2HH TRP 6 10.188 -5.116 7.850 50 H GLU 7 HN GLU 7 6.015 -4.528 3.523 51 HA GLU 7 HA GLU 7 5.015 -6.358 5.557 52 HB2 GLU 7 2HB GLU 7 6.619 -4.591 6.190 53 HB3 GLU 7 1HB GLU 7 5.500 -3.373 5.611 54 HG2 GLU 7 2HG GLU 7 5.391 -3.408 7.987 55 HG3 GLU 7 1HG GLU 7 3.901 -4.103 7.360 56 H CYS 8 HN CYS 8 3.881 -4.300 3.126 57 HA CYS 8 HA CYS 8 1.271 -4.012 4.300 58 HB2 CYS 8 2HB CYS 8 2.473 -3.000 1.736 59 HB3 CYS 8 1HB CYS 8 0.832 -2.671 2.272 60 H GLY 9 HN GLY 9 2.853 -5.618 1.622 61 HA2 GLY 9 2HA GLY 9 1.966 -7.919 1.251 62 HA3 GLY 9 1HA GLY 9 0.377 -7.159 1.236 63 H ALA 10 HN ALA 10 0.949 -8.595 -0.877 64 HA ALA 10 HA ALA 10 2.295 -7.039 -2.887 65 HB1 ALA 10 1HB ALA 10 1.757 -8.863 -4.400 66 HB2 ALA 10 2HB ALA 10 0.690 -9.571 -3.192 67 HB3 ALA 10 3HB ALA 10 2.428 -9.496 -2.895 68 H PHE 11 HN PHE 11 1.438 -5.728 -4.318 69 HA PHE 11 HA PHE 11 0.075 -4.553 -5.553 70 HB2 PHE 11 2HB PHE 11 -1.987 -6.682 -4.956 71 HB3 PHE 11 1HB PHE 11 -2.234 -5.363 -6.098 72 HD1 PHE 11 1HD PHE 11 -0.952 -8.659 -5.633 73 HD2 PHE 11 2HD PHE 11 -0.582 -5.167 -8.033 74 HE1 PHE 11 1HE PHE 11 0.141 -9.983 -7.383 75 HE2 PHE 11 2HE PHE 11 0.510 -6.492 -9.795 76 HZ PHE 11 HZ PHE 11 0.870 -8.908 -9.467 77 H LEU 12 HN LEU 12 0.408 -4.121 -2.741 78 HA LEU 12 HA LEU 12 -2.018 -2.679 -2.076 79 HB2 LEU 12 2HB LEU 12 0.444 -3.417 -0.597 80 HB3 LEU 12 1HB LEU 12 -0.295 -1.891 -0.175 81 HG LEU 12 HG LEU 12 -0.988 -3.638 1.356 82 HD11 LEU 12 1HD1 LEU 12 -3.401 -3.381 1.217 83 HD12 LEU 12 2HD1 LEU 12 -3.249 -2.758 -0.421 84 HD13 LEU 12 3HD1 LEU 12 -2.555 -1.864 0.930 85 HD21 LEU 12 1HD2 LEU 12 -0.773 -5.579 -0.107 86 HD22 LEU 12 2HD2 LEU 12 -2.141 -5.018 -1.066 87 HD23 LEU 12 3HD2 LEU 12 -2.383 -5.513 0.610 88 H PHE 13 HN PHE 13 -2.302 -0.730 -2.813 89 HA PHE 13 HA PHE 13 0.009 0.797 -3.663 90 HB2 PHE 13 2HB PHE 13 -2.946 1.314 -4.058 91 HB3 PHE 13 1HB PHE 13 -1.638 2.295 -4.718 92 HD1 PHE 13 1HD PHE 13 0.101 1.024 -6.159 93 HD2 PHE 13 2HD PHE 13 -3.825 -0.385 -5.350 94 HE1 PHE 13 1HE PHE 13 0.219 -0.422 -8.141 95 HE2 PHE 13 2HE PHE 13 -3.718 -1.830 -7.329 96 HZ PHE 13 HZ PHE 13 -1.689 -1.848 -8.729 97 H CYS 14 HN CYS 14 0.128 3.057 -3.034 98 HA CYS 14 HA CYS 14 -0.766 3.286 -0.260 99 HB2 CYS 14 2HB CYS 14 1.774 4.303 -1.501 100 HB3 CYS 14 1HB CYS 14 1.270 4.569 0.165 101 H ILE 15 HN ILE 15 -1.270 5.251 0.570 102 HA ILE 15 HA ILE 15 -1.334 7.611 -1.080 103 HB ILE 15 HB ILE 15 -3.694 6.657 0.612 104 HG12 ILE 15 2HG1 ILE 15 -3.577 6.983 -2.403 105 HG13 ILE 15 1HG1 ILE 15 -3.617 5.447 -1.544 106 HG21 ILE 15 1HG2 ILE 15 -3.407 9.052 0.710 107 HG22 ILE 15 2HG2 ILE 15 -4.842 8.673 -0.246 108 HG23 ILE 15 3HG2 ILE 15 -3.346 9.151 -1.049 109 HD11 ILE 15 1HD1 ILE 15 -5.802 6.001 -2.458 110 HD12 ILE 15 2HD1 ILE 15 -5.804 7.523 -1.567 111 HD13 ILE 15 3HD1 ILE 15 -5.853 5.992 -0.696 112 H GLU 16 HN GLU 16 -0.248 8.984 0.130 113 HA GLU 16 HA GLU 16 0.631 10.186 1.825 114 HB2 GLU 16 2HB GLU 16 -1.363 8.638 3.364 115 HB3 GLU 16 1HB GLU 16 -0.306 9.873 4.083 116 HG2 GLU 16 2HG GLU 16 -1.422 11.577 2.807 117 HG3 GLU 16 1HG GLU 16 -2.322 10.365 1.890 118 H GLY 17 HN GLY 17 1.269 7.196 1.176 119 HA2 GLY 17 2HA GLY 17 3.171 5.965 1.800 120 HA3 GLY 17 1HA GLY 17 3.244 6.893 3.296 121 H ILE 18 HN ILE 18 0.137 6.071 2.892 122 HA ILE 18 HA ILE 18 0.333 3.804 4.708 123 HB ILE 18 HB ILE 18 -2.061 5.423 3.776 124 HG12 ILE 18 2HG1 ILE 18 -0.593 5.559 6.420 125 HG13 ILE 18 1HG1 ILE 18 -0.443 6.739 5.124 126 HG21 ILE 18 1HG2 ILE 18 -1.831 3.370 5.979 127 HG22 ILE 18 2HG2 ILE 18 -2.702 3.180 4.458 128 HG23 ILE 18 3HG2 ILE 18 -3.256 4.356 5.650 129 HD11 ILE 18 1HD1 ILE 18 -1.932 7.521 6.878 130 HD12 ILE 18 2HD1 ILE 18 -2.959 6.106 6.647 131 HD13 ILE 18 3HD1 ILE 18 -2.800 7.301 5.363 132 H CYS 19 HN CYS 19 0.045 1.802 3.858 133 HA CYS 19 HA CYS 19 -0.649 1.517 1.086 134 HB2 CYS 19 2HB CYS 19 -0.351 -0.703 3.140 135 HB3 CYS 19 1HB CYS 19 -0.141 -0.773 1.408 136 H VAL 20 HN VAL 20 -2.720 1.444 0.455 137 HA VAL 20 HA VAL 20 -4.670 0.552 2.410 138 HB VAL 20 HB VAL 20 -4.638 2.962 2.588 139 HG11 VAL 20 1HG1 VAL 20 -5.175 4.444 0.725 140 HG12 VAL 20 2HG1 VAL 20 -5.152 3.061 -0.370 141 HG13 VAL 20 3HG1 VAL 20 -3.675 3.553 0.460 142 HG21 VAL 20 1HG2 VAL 20 -6.973 3.506 2.061 143 HG22 VAL 20 2HG2 VAL 20 -6.829 1.907 2.791 144 HG23 VAL 20 3HG2 VAL 20 -7.077 2.063 1.054 145 HA PRO 21 HA PRO 21 -6.299 -1.401 -1.240 146 HB2 PRO 21 2HB PRO 21 -8.183 -2.868 -0.004 147 HB3 PRO 21 1HB PRO 21 -6.476 -3.301 0.076 148 HG2 PRO 21 2HG PRO 21 -8.193 -2.012 2.134 149 HG3 PRO 21 1HG PRO 21 -6.848 -3.145 2.336 150 HD2 PRO 21 2HD PRO 21 -6.723 -0.378 2.664 151 HD3 PRO 21 1HD PRO 21 -5.338 -1.467 2.456 152 H MET 22 HN MET 22 -8.064 -0.933 -2.557 153 HA MET 22 HA MET 22 -9.598 1.247 -1.692 154 HB2 MET 22 2HB MET 22 -8.618 1.180 -3.946 155 HB3 MET 22 1HB MET 22 -9.664 -0.192 -4.320 156 HG2 MET 22 2HG MET 22 -11.624 1.221 -4.079 157 HG3 MET 22 1HG MET 22 -10.598 2.592 -3.665 158 HE1 MET 22 1HE MET 22 -12.807 2.698 -5.950 159 HE2 MET 22 2HE MET 22 -11.915 3.564 -7.204 160 HE3 MET 22 3HE MET 22 -11.761 4.052 -5.518 161 H ILE 23 HN ILE 23 -11.829 1.304 -1.822 162 HA ILE 23 HA ILE 23 -13.153 -1.105 -0.975 163 HB ILE 23 HB ILE 23 -13.704 0.808 0.320 164 HG12 ILE 23 2HG1 ILE 23 -16.171 1.108 0.018 165 HG13 ILE 23 1HG1 ILE 23 -16.045 0.259 -1.515 166 HG21 ILE 23 1HG2 ILE 23 -13.039 2.595 -1.087 167 HG22 ILE 23 2HG2 ILE 23 -14.699 2.884 -0.564 168 HG23 ILE 23 3HG2 ILE 23 -14.375 2.287 -2.192 169 HD11 ILE 23 1HD1 ILE 23 -15.282 -1.738 -0.343 170 HD12 ILE 23 2HD1 ILE 23 -16.855 -1.198 0.246 171 HD13 ILE 23 3HD1 ILE 23 -15.402 -0.882 1.193 172 HN1 NH2 24 HN1 NH2 24 -13.458 -2.432 -2.615 173 HN2 NH2 24 HN2 NH2 24 -14.257 -2.065 -4.101 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 5.169 6.057 -3.286 2 H2 ALA 1 2HT ALA 1 5.882 6.872 -1.997 3 H3 ALA 1 3HT ALA 1 4.996 7.721 -3.147 4 HA ALA 1 HA ALA 1 3.764 7.516 -1.128 5 HB1 ALA 1 1HB ALA 1 1.706 6.605 -2.049 6 HB2 ALA 1 2HB ALA 1 2.615 5.801 -3.329 7 HB3 ALA 1 3HB ALA 1 2.552 7.564 -3.262 8 H CYS 2 HN CYS 2 4.767 4.342 -2.419 9 HA CYS 2 HA CYS 2 3.957 3.077 0.074 10 HB2 CYS 2 2HB CYS 2 5.193 1.871 -2.429 11 HB3 CYS 2 1HB CYS 2 4.458 0.992 -1.098 12 H LYS 3 HN LYS 3 5.600 2.184 1.470 13 HA LYS 3 HA LYS 3 8.277 3.170 0.809 14 HB2 LYS 3 2HB LYS 3 7.171 2.382 3.519 15 HB3 LYS 3 1HB LYS 3 8.748 3.081 3.196 16 HG2 LYS 3 2HG LYS 3 7.721 5.144 2.433 17 HG3 LYS 3 1HG LYS 3 6.120 4.451 2.667 18 HD2 LYS 3 2HD LYS 3 6.638 5.889 4.530 19 HD3 LYS 3 1HD LYS 3 6.624 4.214 5.079 20 HE2 LYS 3 2HE LYS 3 9.048 4.141 5.027 21 HE3 LYS 3 1HE LYS 3 9.099 5.774 4.362 22 HZ1 LYS 3 1HZ LYS 3 8.105 6.586 6.414 23 HZ2 LYS 3 2HZ LYS 3 9.538 5.781 6.721 24 HZ3 LYS 3 3HZ LYS 3 8.084 5.030 7.059 25 H GLU 4 HN GLU 4 6.693 0.412 2.453 26 HA GLU 4 HA GLU 4 8.580 -1.360 1.179 27 HB2 GLU 4 2HB GLU 4 7.749 -1.296 4.041 28 HB3 GLU 4 1HB GLU 4 8.539 -2.672 3.305 29 HG2 GLU 4 2HG GLU 4 10.489 -1.281 2.758 30 HG3 GLU 4 1HG GLU 4 9.709 0.103 3.508 31 H TYR 5 HN TYR 5 7.500 -2.610 0.022 32 HA TYR 5 HA TYR 5 4.673 -2.772 -0.129 33 HB2 TYR 5 2HB TYR 5 6.242 -3.043 -2.018 34 HB3 TYR 5 1HB TYR 5 6.766 -4.554 -1.342 35 HD1 TYR 5 1HD TYR 5 5.821 -6.535 -2.033 36 HD2 TYR 5 2HD TYR 5 3.621 -2.930 -2.565 37 HE1 TYR 5 1HE TYR 5 4.125 -7.768 -3.276 38 HE2 TYR 5 2HE TYR 5 1.914 -4.151 -3.813 39 HH TYR 5 HH TYR 5 1.896 -7.629 -3.975 40 H TRP 6 HN TRP 6 7.087 -4.925 0.991 41 HA TRP 6 HA TRP 6 5.510 -7.199 1.544 42 HB2 TRP 6 2HB TRP 6 7.356 -8.129 2.734 43 HB3 TRP 6 1HB TRP 6 8.066 -7.088 1.510 44 HD1 TRP 6 1HD TRP 6 8.958 -4.607 2.498 45 HE1 TRP 6 1HE TRP 6 10.026 -4.077 4.792 46 HE3 TRP 6 3HE TRP 6 7.506 -8.783 5.050 47 HZ2 TRP 6 2HZ TRP 6 10.239 -5.301 7.329 48 HZ3 TRP 6 3HZ TRP 6 8.196 -9.035 7.405 49 HH2 TRP 6 2HH TRP 6 9.536 -7.322 8.508 50 H GLU 7 HN GLU 7 5.915 -4.290 3.368 51 HA GLU 7 HA GLU 7 4.830 -5.247 5.834 52 HB2 GLU 7 2HB GLU 7 5.706 -2.639 4.698 53 HB3 GLU 7 1HB GLU 7 4.752 -2.675 6.170 54 HG2 GLU 7 2HG GLU 7 7.284 -4.241 5.840 55 HG3 GLU 7 1HG GLU 7 7.255 -2.581 6.443 56 H CYS 8 HN CYS 8 3.619 -4.125 2.893 57 HA CYS 8 HA CYS 8 1.185 -3.164 4.104 58 HB2 CYS 8 2HB CYS 8 2.317 -2.846 1.348 59 HB3 CYS 8 1HB CYS 8 0.821 -2.132 1.935 60 H GLY 9 HN GLY 9 2.304 -5.508 1.725 61 HA2 GLY 9 2HA GLY 9 0.959 -7.649 1.947 62 HA3 GLY 9 1HA GLY 9 -0.441 -6.607 1.737 63 H ALA 10 HN ALA 10 -1.225 -7.379 -0.150 64 HA ALA 10 HA ALA 10 0.603 -7.381 -2.442 65 HB1 ALA 10 1HB ALA 10 -0.355 -9.572 -1.904 66 HB2 ALA 10 2HB ALA 10 -0.895 -8.978 -3.476 67 HB3 ALA 10 3HB ALA 10 -1.974 -8.894 -2.085 68 H PHE 11 HN PHE 11 0.362 -5.789 -3.781 69 HA PHE 11 HA PHE 11 -0.355 -3.923 -4.786 70 HB2 PHE 11 2HB PHE 11 -2.740 -5.696 -5.335 71 HB3 PHE 11 1HB PHE 11 -2.376 -4.208 -6.199 72 HD1 PHE 11 1HD PHE 11 -0.096 -4.085 -7.389 73 HD2 PHE 11 2HD PHE 11 -1.856 -7.717 -6.065 74 HE1 PHE 11 1HE PHE 11 1.317 -5.334 -8.963 75 HE2 PHE 11 2HE PHE 11 -0.443 -8.979 -7.636 76 HZ PHE 11 HZ PHE 11 1.145 -7.787 -9.087 77 H LEU 12 HN LEU 12 -0.511 -2.337 -3.366 78 HA LEU 12 HA LEU 12 -3.086 -2.000 -2.012 79 HB2 LEU 12 2HB LEU 12 -0.401 -1.042 -1.020 80 HB3 LEU 12 1HB LEU 12 -1.935 -0.908 -0.204 81 HG LEU 12 HG LEU 12 -0.794 -2.571 0.927 82 HD11 LEU 12 1HD1 LEU 12 -2.003 -4.625 0.550 83 HD12 LEU 12 2HD1 LEU 12 -2.625 -3.964 -0.962 84 HD13 LEU 12 3HD1 LEU 12 -3.034 -3.194 0.576 85 HD21 LEU 12 1HD2 LEU 12 -0.070 -3.835 -1.711 86 HD22 LEU 12 2HD2 LEU 12 0.321 -4.487 -0.120 87 HD23 LEU 12 3HD2 LEU 12 1.021 -2.954 -0.642 88 H PHE 13 HN PHE 13 -3.572 0.200 -1.491 89 HA PHE 13 HA PHE 13 -2.560 2.062 -3.493 90 HB2 PHE 13 2HB PHE 13 -5.068 1.672 -3.314 91 HB3 PHE 13 1HB PHE 13 -4.984 2.305 -1.675 92 HD1 PHE 13 1HD PHE 13 -4.844 3.106 -5.223 93 HD2 PHE 13 2HD PHE 13 -4.621 4.675 -1.273 94 HE1 PHE 13 1HE PHE 13 -5.112 5.381 -6.112 95 HE2 PHE 13 2HE PHE 13 -4.894 6.947 -2.159 96 HZ PHE 13 HZ PHE 13 -5.140 7.301 -4.577 97 H CYS 14 HN CYS 14 -1.007 3.346 -2.673 98 HA CYS 14 HA CYS 14 -0.822 3.443 0.239 99 HB2 CYS 14 2HB CYS 14 1.292 4.164 -1.756 100 HB3 CYS 14 1HB CYS 14 1.477 3.961 -0.023 101 H ILE 15 HN ILE 15 -1.017 5.241 1.285 102 HA ILE 15 HA ILE 15 -0.922 7.714 -0.177 103 HB ILE 15 HB ILE 15 -3.249 7.316 -0.034 104 HG12 ILE 15 2HG1 ILE 15 -2.460 9.261 2.152 105 HG13 ILE 15 1HG1 ILE 15 -2.576 9.613 0.437 106 HG21 ILE 15 1HG2 ILE 15 -4.471 6.862 2.058 107 HG22 ILE 15 2HG2 ILE 15 -2.927 6.724 2.904 108 HG23 ILE 15 3HG2 ILE 15 -3.339 5.578 1.630 109 HD11 ILE 15 1HD1 ILE 15 -4.860 8.862 2.243 110 HD12 ILE 15 2HD1 ILE 15 -4.986 9.225 0.522 111 HD13 ILE 15 3HD1 ILE 15 -4.485 10.481 1.657 112 H GLU 16 HN GLU 16 0.707 8.602 0.515 113 HA GLU 16 HA GLU 16 2.207 9.688 1.719 114 HB2 GLU 16 2HB GLU 16 -0.053 10.459 2.735 115 HB3 GLU 16 1HB GLU 16 0.473 9.510 4.122 116 HG2 GLU 16 2HG GLU 16 2.530 10.773 4.187 117 HG3 GLU 16 1HG GLU 16 1.957 11.749 2.842 118 H GLY 17 HN GLY 17 1.982 6.721 1.827 119 HA2 GLY 17 2HA GLY 17 3.847 5.378 2.559 120 HA3 GLY 17 1HA GLY 17 3.906 6.341 4.028 121 H ILE 18 HN ILE 18 0.784 5.996 3.686 122 HA ILE 18 HA ILE 18 0.682 3.561 5.283 123 HB ILE 18 HB ILE 18 -1.462 5.663 4.766 124 HG12 ILE 18 2HG1 ILE 18 0.204 5.137 7.242 125 HG13 ILE 18 1HG1 ILE 18 0.391 6.508 6.158 126 HG21 ILE 18 1HG2 ILE 18 -1.492 3.295 6.650 127 HG22 ILE 18 2HG2 ILE 18 -2.443 3.461 5.177 128 HG23 ILE 18 3HG2 ILE 18 -2.742 4.536 6.543 129 HD11 ILE 18 1HD1 ILE 18 -1.843 7.294 6.793 130 HD12 ILE 18 2HD1 ILE 18 -0.782 7.135 8.192 131 HD13 ILE 18 3HD1 ILE 18 -2.013 5.912 7.874 132 H CYS 19 HN CYS 19 0.170 1.760 4.252 133 HA CYS 19 HA CYS 19 -0.899 1.941 1.560 134 HB2 CYS 19 2HB CYS 19 -0.027 -0.484 3.102 135 HB3 CYS 19 1HB CYS 19 -0.298 -0.347 1.373 136 H VAL 20 HN VAL 20 -3.039 1.823 1.322 137 HA VAL 20 HA VAL 20 -4.525 0.301 3.310 138 HB VAL 20 HB VAL 20 -6.539 1.472 2.537 139 HG11 VAL 20 1HG1 VAL 20 -5.290 2.552 4.298 140 HG12 VAL 20 2HG1 VAL 20 -5.998 3.773 3.239 141 HG13 VAL 20 3HG1 VAL 20 -4.284 3.382 3.113 142 HG21 VAL 20 1HG2 VAL 20 -5.969 1.739 0.187 143 HG22 VAL 20 2HG2 VAL 20 -4.724 2.918 0.606 144 HG23 VAL 20 3HG2 VAL 20 -6.425 3.289 0.892 145 HA PRO 21 HA PRO 21 -5.209 -2.918 0.360 146 HB2 PRO 21 2HB PRO 21 -8.102 -2.867 1.021 147 HB3 PRO 21 1HB PRO 21 -6.940 -4.191 1.165 148 HG2 PRO 21 2HG PRO 21 -7.851 -2.934 3.334 149 HG3 PRO 21 1HG PRO 21 -6.164 -3.472 3.223 150 HD2 PRO 21 2HD PRO 21 -7.306 -0.731 2.865 151 HD3 PRO 21 1HD PRO 21 -5.817 -1.237 3.693 152 H MET 22 HN MET 22 -5.297 -2.578 -1.791 153 HA MET 22 HA MET 22 -6.646 -0.356 -2.770 154 HB2 MET 22 2HB MET 22 -4.641 -0.971 -3.838 155 HB3 MET 22 1HB MET 22 -5.277 -2.583 -4.238 156 HG2 MET 22 2HG MET 22 -5.187 -1.137 -6.202 157 HG3 MET 22 1HG MET 22 -6.852 -1.536 -5.788 158 HE1 MET 22 1HE MET 22 -7.232 2.079 -7.215 159 HE2 MET 22 2HE MET 22 -7.796 0.410 -7.299 160 HE3 MET 22 3HE MET 22 -6.149 0.811 -7.786 161 H ILE 23 HN ILE 23 -8.346 -0.246 -3.890 162 HA ILE 23 HA ILE 23 -10.174 -2.538 -3.802 163 HB ILE 23 HB ILE 23 -10.868 0.417 -3.945 164 HG12 ILE 23 2HG1 ILE 23 -11.032 -1.553 -1.641 165 HG13 ILE 23 1HG1 ILE 23 -9.851 -0.270 -1.801 166 HG21 ILE 23 1HG2 ILE 23 -12.566 -0.968 -5.017 167 HG22 ILE 23 2HG2 ILE 23 -13.175 -0.353 -3.477 168 HG23 ILE 23 3HG2 ILE 23 -12.623 -2.023 -3.605 169 HD11 ILE 23 1HD1 ILE 23 -11.611 1.390 -1.617 170 HD12 ILE 23 2HD1 ILE 23 -11.610 0.305 -0.226 171 HD13 ILE 23 3HD1 ILE 23 -12.819 0.111 -1.497 172 HN1 NH2 24 HN1 NH2 24 -9.895 -3.532 -5.674 173 HN2 NH2 24 HN2 NH2 24 -9.979 -2.800 -7.238 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 6.683 8.296 -1.475 2 H2 ALA 1 2HT ALA 1 7.454 7.357 -0.288 3 H3 ALA 1 3HT ALA 1 5.811 7.588 -0.225 4 HA ALA 1 HA ALA 1 5.436 6.321 -2.169 5 HB1 ALA 1 1HB ALA 1 8.430 5.941 -2.141 6 HB2 ALA 1 2HB ALA 1 7.515 6.857 -3.340 7 HB3 ALA 1 3HB ALA 1 7.302 5.110 -3.209 8 H CYS 2 HN CYS 2 5.445 3.870 -2.059 9 HA CYS 2 HA CYS 2 5.376 3.016 0.671 10 HB2 CYS 2 2HB CYS 2 5.238 1.345 -1.830 11 HB3 CYS 2 1HB CYS 2 4.629 0.906 -0.251 12 H LYS 3 HN LYS 3 7.004 1.983 1.739 13 HA LYS 3 HA LYS 3 9.458 1.538 0.185 14 HB2 LYS 3 2HB LYS 3 9.084 1.690 3.183 15 HB3 LYS 3 1HB LYS 3 10.617 1.391 2.390 16 HG2 LYS 3 2HG LYS 3 8.955 3.901 2.212 17 HG3 LYS 3 1HG LYS 3 10.469 3.697 3.092 18 HD2 LYS 3 2HD LYS 3 10.122 3.503 0.092 19 HD3 LYS 3 1HD LYS 3 10.796 4.870 0.965 20 HE2 LYS 3 2HE LYS 3 12.664 3.508 1.728 21 HE3 LYS 3 1HE LYS 3 11.961 2.084 0.960 22 HZ1 LYS 3 1HZ LYS 3 12.869 4.522 -0.471 23 HZ2 LYS 3 2HZ LYS 3 12.200 3.161 -1.175 24 HZ3 LYS 3 3HZ LYS 3 13.701 3.048 -0.427 25 H GLU 4 HN GLU 4 7.647 -0.036 2.777 26 HA GLU 4 HA GLU 4 8.730 -2.544 1.816 27 HB2 GLU 4 2HB GLU 4 7.076 -2.073 4.262 28 HB3 GLU 4 1HB GLU 4 8.019 -3.492 3.828 29 HG2 GLU 4 2HG GLU 4 9.160 -0.788 4.537 30 HG3 GLU 4 1HG GLU 4 9.117 -2.186 5.604 31 H TYR 5 HN TYR 5 7.602 -3.004 0.229 32 HA TYR 5 HA TYR 5 4.857 -2.488 -0.311 33 HB2 TYR 5 2HB TYR 5 6.630 -2.929 -2.002 34 HB3 TYR 5 1HB TYR 5 6.686 -4.597 -1.474 35 HD1 TYR 5 1HD TYR 5 4.479 -2.048 -3.011 36 HD2 TYR 5 2HD TYR 5 5.281 -6.193 -2.481 37 HE1 TYR 5 1HE TYR 5 2.856 -2.575 -4.748 38 HE2 TYR 5 2HE TYR 5 3.650 -6.738 -4.218 39 HH TYR 5 HH TYR 5 2.489 -4.404 -6.325 40 H TRP 6 HN TRP 6 6.563 -5.343 0.520 41 HA TRP 6 HA TRP 6 4.565 -7.236 0.842 42 HB2 TRP 6 2HB TRP 6 6.361 -8.339 2.337 43 HB3 TRP 6 1HB TRP 6 6.747 -8.011 0.646 44 HD1 TRP 6 1HD TRP 6 7.659 -6.860 4.186 45 HE1 TRP 6 1HE TRP 6 9.755 -5.342 4.035 46 HE3 TRP 6 3HE TRP 6 8.047 -6.448 -0.891 47 HZ2 TRP 6 2HZ TRP 6 11.327 -4.162 2.056 48 HZ3 TRP 6 3HZ TRP 6 9.875 -5.108 -1.832 49 HH2 TRP 6 2HH TRP 6 11.481 -3.993 -0.380 50 H GLU 7 HN GLU 7 5.537 -4.726 3.005 51 HA GLU 7 HA GLU 7 4.533 -5.845 5.435 52 HB2 GLU 7 2HB GLU 7 6.213 -3.981 5.270 53 HB3 GLU 7 1HB GLU 7 4.915 -2.927 4.735 54 HG2 GLU 7 2HG GLU 7 3.765 -3.397 6.905 55 HG3 GLU 7 1HG GLU 7 5.219 -4.254 7.403 56 H CYS 8 HN CYS 8 3.235 -4.054 2.842 57 HA CYS 8 HA CYS 8 0.708 -3.615 4.187 58 HB2 CYS 8 2HB CYS 8 1.747 -2.662 1.538 59 HB3 CYS 8 1HB CYS 8 0.242 -2.176 2.308 60 H GLY 9 HN GLY 9 2.083 -5.113 1.321 61 HA2 GLY 9 2HA GLY 9 1.099 -7.419 0.985 62 HA3 GLY 9 1HA GLY 9 -0.440 -6.563 0.930 63 H ALA 10 HN ALA 10 -0.344 -7.755 -1.205 64 HA ALA 10 HA ALA 10 1.357 -6.521 -3.185 65 HB1 ALA 10 1HB ALA 10 0.989 -8.949 -3.215 66 HB2 ALA 10 2HB ALA 10 0.468 -8.171 -4.709 67 HB3 ALA 10 3HB ALA 10 -0.728 -8.668 -3.514 68 H PHE 11 HN PHE 11 0.774 -5.074 -4.600 69 HA PHE 11 HA PHE 11 -0.311 -3.530 -5.749 70 HB2 PHE 11 2HB PHE 11 -2.757 -5.260 -5.300 71 HB3 PHE 11 1HB PHE 11 -2.708 -3.880 -6.389 72 HD1 PHE 11 1HD PHE 11 -1.736 -7.358 -5.907 73 HD2 PHE 11 2HD PHE 11 -1.342 -3.952 -8.430 74 HE1 PHE 11 1HE PHE 11 -0.854 -8.791 -7.691 75 HE2 PHE 11 2HE PHE 11 -0.462 -5.377 -10.217 76 HZ PHE 11 HZ PHE 11 -0.213 -7.803 -9.857 77 H LEU 12 HN LEU 12 -0.070 -3.429 -2.854 78 HA LEU 12 HA LEU 12 -2.241 -1.714 -2.067 79 HB2 LEU 12 2HB LEU 12 0.152 -2.812 -0.711 80 HB3 LEU 12 1HB LEU 12 -0.451 -1.281 -0.131 81 HG LEU 12 HG LEU 12 -1.297 -3.099 1.227 82 HD11 LEU 12 1HD1 LEU 12 -3.655 -2.632 1.146 83 HD12 LEU 12 2HD1 LEU 12 -3.490 -1.920 -0.453 84 HD13 LEU 12 3HD1 LEU 12 -2.712 -1.160 0.936 85 HD21 LEU 12 1HD2 LEU 12 -2.587 -4.142 -1.292 86 HD22 LEU 12 2HD2 LEU 12 -2.788 -4.796 0.337 87 HD23 LEU 12 3HD2 LEU 12 -1.218 -4.876 -0.459 88 H PHE 13 HN PHE 13 -2.360 0.265 -2.624 89 HA PHE 13 HA PHE 13 0.057 1.716 -3.307 90 HB2 PHE 13 2HB PHE 13 -2.869 2.346 -3.756 91 HB3 PHE 13 1HB PHE 13 -1.567 3.475 -4.107 92 HD1 PHE 13 1HD PHE 13 -0.074 3.112 -5.966 93 HD2 PHE 13 2HD PHE 13 -3.235 0.389 -5.137 94 HE1 PHE 13 1HE PHE 13 0.197 2.131 -8.194 95 HE2 PHE 13 2HE PHE 13 -2.971 -0.606 -7.367 96 HZ PHE 13 HZ PHE 13 -1.257 0.258 -8.901 97 H CYS 14 HN CYS 14 0.547 3.625 -2.291 98 HA CYS 14 HA CYS 14 -0.593 3.759 0.379 99 HB2 CYS 14 2HB CYS 14 1.952 4.968 -0.695 100 HB3 CYS 14 1HB CYS 14 1.406 5.037 0.970 101 H ILE 15 HN ILE 15 -1.486 5.540 1.127 102 HA ILE 15 HA ILE 15 -1.591 7.875 -0.548 103 HB ILE 15 HB ILE 15 -3.765 6.926 -0.811 104 HG12 ILE 15 2HG1 ILE 15 -3.920 9.042 1.351 105 HG13 ILE 15 1HG1 ILE 15 -3.796 9.325 -0.379 106 HG21 ILE 15 1HG2 ILE 15 -5.224 6.249 1.069 107 HG22 ILE 15 2HG2 ILE 15 -3.850 6.464 2.154 108 HG23 ILE 15 3HG2 ILE 15 -3.782 5.250 0.880 109 HD11 ILE 15 1HD1 ILE 15 -6.007 8.317 -0.688 110 HD12 ILE 15 2HD1 ILE 15 -6.060 9.691 0.416 111 HD13 ILE 15 3HD1 ILE 15 -6.119 8.047 1.050 112 H GLU 16 HN GLU 16 -0.508 9.257 0.428 113 HA GLU 16 HA GLU 16 0.424 10.616 1.887 114 HB2 GLU 16 2HB GLU 16 -1.986 10.671 2.761 115 HB3 GLU 16 1HB GLU 16 -1.427 9.536 3.983 116 HG2 GLU 16 2HG GLU 16 0.261 11.102 4.635 117 HG3 GLU 16 1HG GLU 16 -0.378 12.233 3.439 118 H GLY 17 HN GLY 17 1.010 7.733 1.538 119 HA2 GLY 17 2HA GLY 17 3.061 6.681 2.169 120 HA3 GLY 17 1HA GLY 17 2.935 7.453 3.745 121 H ILE 18 HN ILE 18 0.016 6.629 3.665 122 HA ILE 18 HA ILE 18 0.450 4.104 5.035 123 HB ILE 18 HB ILE 18 -2.053 5.794 4.773 124 HG12 ILE 18 2HG1 ILE 18 -0.084 5.569 7.062 125 HG13 ILE 18 1HG1 ILE 18 -0.206 6.926 5.949 126 HG21 ILE 18 1HG2 ILE 18 -2.582 3.457 5.253 127 HG22 ILE 18 2HG2 ILE 18 -2.900 4.460 6.669 128 HG23 ILE 18 3HG2 ILE 18 -1.450 3.463 6.604 129 HD11 ILE 18 1HD1 ILE 18 -1.261 7.404 8.076 130 HD12 ILE 18 2HD1 ILE 18 -2.336 6.021 7.866 131 HD13 ILE 18 3HD1 ILE 18 -2.444 7.399 6.769 132 H CYS 19 HN CYS 19 -0.002 2.183 4.127 133 HA CYS 19 HA CYS 19 -1.168 2.041 1.487 134 HB2 CYS 19 2HB CYS 19 -0.626 -0.338 3.275 135 HB3 CYS 19 1HB CYS 19 -0.615 -0.216 1.538 136 H VAL 20 HN VAL 20 -3.341 2.244 1.393 137 HA VAL 20 HA VAL 20 -4.887 1.136 3.605 138 HB VAL 20 HB VAL 20 -5.713 3.156 1.481 139 HG11 VAL 20 1HG1 VAL 20 -7.332 2.046 3.782 140 HG12 VAL 20 2HG1 VAL 20 -7.609 1.708 2.075 141 HG13 VAL 20 3HG1 VAL 20 -7.841 3.341 2.698 142 HG21 VAL 20 1HG2 VAL 20 -5.337 3.430 4.463 143 HG22 VAL 20 2HG2 VAL 20 -5.896 4.700 3.374 144 HG23 VAL 20 3HG2 VAL 20 -4.260 4.062 3.218 145 HA PRO 21 HA PRO 21 -5.856 -2.449 1.127 146 HB2 PRO 21 2HB PRO 21 -8.323 -2.297 2.809 147 HB3 PRO 21 1HB PRO 21 -7.281 -3.687 2.481 148 HG2 PRO 21 2HG PRO 21 -7.137 -2.442 4.812 149 HG3 PRO 21 1HG PRO 21 -5.664 -2.998 3.997 150 HD2 PRO 21 2HD PRO 21 -6.760 -0.234 4.246 151 HD3 PRO 21 1HD PRO 21 -5.073 -0.793 4.232 152 H MET 22 HN MET 22 -6.858 -2.552 -0.807 153 HA MET 22 HA MET 22 -9.069 -0.804 -1.150 154 HB2 MET 22 2HB MET 22 -6.832 0.042 -2.093 155 HB3 MET 22 1HB MET 22 -7.036 -1.238 -3.284 156 HG2 MET 22 2HG MET 22 -7.798 0.931 -4.114 157 HG3 MET 22 1HG MET 22 -9.084 -0.277 -4.063 158 HE1 MET 22 1HE MET 22 -7.579 1.682 -0.954 159 HE2 MET 22 2HE MET 22 -8.612 3.114 -0.948 160 HE3 MET 22 3HE MET 22 -7.497 2.836 -2.284 161 H ILE 23 HN ILE 23 -10.448 -1.467 -2.949 162 HA ILE 23 HA ILE 23 -10.206 -4.293 -3.523 163 HB ILE 23 HB ILE 23 -11.935 -4.078 -1.972 164 HG12 ILE 23 2HG1 ILE 23 -13.225 -4.303 -4.697 165 HG13 ILE 23 1HG1 ILE 23 -12.450 -5.608 -3.811 166 HG21 ILE 23 1HG2 ILE 23 -13.198 -1.873 -3.571 167 HG22 ILE 23 2HG2 ILE 23 -12.361 -1.728 -2.030 168 HG23 ILE 23 3HG2 ILE 23 -13.877 -2.622 -2.127 169 HD11 ILE 23 1HD1 ILE 23 -14.873 -5.743 -3.690 170 HD12 ILE 23 2HD1 ILE 23 -14.934 -4.136 -2.962 171 HD13 ILE 23 3HD1 ILE 23 -14.171 -5.469 -2.096 172 HN1 NH2 24 HN1 NH2 24 -12.063 -1.527 -4.815 173 HN2 NH2 24 HN2 NH2 24 -11.734 -1.894 -6.465 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 5.087 7.676 -1.703 2 H2 ALA 1 2HT ALA 1 4.019 6.746 -2.614 3 H3 ALA 1 3HT ALA 1 5.052 7.818 -3.396 4 HA ALA 1 HA ALA 1 5.791 5.532 -3.604 5 HB1 ALA 1 1HB ALA 1 7.484 7.305 -3.533 6 HB2 ALA 1 2HB ALA 1 8.071 5.815 -2.791 7 HB3 ALA 1 3HB ALA 1 7.552 7.161 -1.777 8 H CYS 2 HN CYS 2 6.314 3.588 -2.659 9 HA CYS 2 HA CYS 2 5.319 3.284 0.065 10 HB2 CYS 2 2HB CYS 2 5.875 1.193 -2.042 11 HB3 CYS 2 1HB CYS 2 5.112 0.909 -0.481 12 H LYS 3 HN LYS 3 6.621 2.540 1.655 13 HA LYS 3 HA LYS 3 9.466 2.722 1.261 14 HB2 LYS 3 2HB LYS 3 8.320 3.592 3.273 15 HB3 LYS 3 1HB LYS 3 7.821 1.963 3.679 16 HG2 LYS 3 2HG LYS 3 10.250 1.365 3.870 17 HG3 LYS 3 1HG LYS 3 10.602 3.081 3.675 18 HD2 LYS 3 2HD LYS 3 9.234 3.603 5.626 19 HD3 LYS 3 1HD LYS 3 8.858 1.894 5.821 20 HE2 LYS 3 2HE LYS 3 11.277 1.444 6.122 21 HE3 LYS 3 1HE LYS 3 11.571 3.180 6.059 22 HZ1 LYS 3 1HZ LYS 3 10.129 3.434 8.013 23 HZ2 LYS 3 2HZ LYS 3 11.442 2.410 8.323 24 HZ3 LYS 3 3HZ LYS 3 9.917 1.755 8.058 25 H GLU 4 HN GLU 4 7.251 0.208 2.523 26 HA GLU 4 HA GLU 4 8.952 -1.834 1.386 27 HB2 GLU 4 2HB GLU 4 7.813 -1.731 4.134 28 HB3 GLU 4 1HB GLU 4 8.478 -3.170 3.395 29 HG2 GLU 4 2HG GLU 4 10.677 -2.087 3.229 30 HG3 GLU 4 1HG GLU 4 10.013 -0.635 3.967 31 H TYR 5 HN TYR 5 7.708 -2.566 -0.012 32 HA TYR 5 HA TYR 5 4.879 -2.490 -0.137 33 HB2 TYR 5 2HB TYR 5 6.476 -2.663 -2.054 34 HB3 TYR 5 1HB TYR 5 6.772 -4.326 -1.597 35 HD1 TYR 5 1HD TYR 5 3.970 -2.046 -2.549 36 HD2 TYR 5 2HD TYR 5 5.590 -5.976 -2.704 37 HE1 TYR 5 1HE TYR 5 2.222 -2.695 -4.120 38 HE2 TYR 5 2HE TYR 5 3.838 -6.644 -4.271 39 HH TYR 5 HH TYR 5 1.848 -4.353 -5.832 40 H TRP 6 HN TRP 6 7.137 -4.998 0.561 41 HA TRP 6 HA TRP 6 5.366 -7.111 1.074 42 HB2 TRP 6 2HB TRP 6 7.311 -8.102 2.398 43 HB3 TRP 6 1HB TRP 6 7.607 -7.700 0.710 44 HD1 TRP 6 1HD TRP 6 8.354 -6.309 4.239 45 HE1 TRP 6 1HE TRP 6 10.478 -4.853 4.091 46 HE3 TRP 6 3HE TRP 6 9.124 -6.533 -0.803 47 HZ2 TRP 6 2HZ TRP 6 12.261 -3.961 2.093 48 HZ3 TRP 6 3HZ TRP 6 11.064 -5.358 -1.750 49 HH2 TRP 6 2HH TRP 6 12.595 -4.104 -0.331 50 H GLU 7 HN GLU 7 6.354 -4.500 3.157 51 HA GLU 7 HA GLU 7 5.525 -5.708 5.601 52 HB2 GLU 7 2HB GLU 7 7.064 -3.771 5.578 53 HB3 GLU 7 1HB GLU 7 5.770 -2.768 4.939 54 HG2 GLU 7 2HG GLU 7 4.470 -3.148 6.981 55 HG3 GLU 7 1HG GLU 7 5.786 -4.124 7.625 56 H CYS 8 HN CYS 8 4.042 -3.590 3.358 57 HA CYS 8 HA CYS 8 1.566 -3.424 4.763 58 HB2 CYS 8 2HB CYS 8 2.323 -2.666 1.955 59 HB3 CYS 8 1HB CYS 8 0.821 -2.242 2.764 60 H GLY 9 HN GLY 9 2.808 -5.175 2.006 61 HA2 GLY 9 2HA GLY 9 1.923 -7.495 1.889 62 HA3 GLY 9 1HA GLY 9 0.333 -6.731 1.939 63 H ALA 10 HN ALA 10 1.005 -8.316 -0.184 64 HA ALA 10 HA ALA 10 1.997 -6.647 -2.287 65 HB1 ALA 10 1HB ALA 10 1.554 -8.573 -3.728 66 HB2 ALA 10 2HB ALA 10 0.733 -9.383 -2.393 67 HB3 ALA 10 3HB ALA 10 2.459 -9.047 -2.291 68 H PHE 11 HN PHE 11 0.844 -5.739 -3.920 69 HA PHE 11 HA PHE 11 -0.785 -4.765 -5.016 70 HB2 PHE 11 2HB PHE 11 -2.542 -6.975 -3.914 71 HB3 PHE 11 1HB PHE 11 -3.012 -5.867 -5.204 72 HD1 PHE 11 1HD PHE 11 -1.104 -8.814 -4.331 73 HD2 PHE 11 2HD PHE 11 -1.818 -5.925 -7.371 74 HE1 PHE 11 1HE PHE 11 0.013 -10.264 -5.960 75 HE2 PHE 11 2HE PHE 11 -0.708 -7.379 -9.012 76 HZ PHE 11 HZ PHE 11 0.215 -9.550 -8.302 77 H LEU 12 HN LEU 12 -0.160 -4.116 -2.269 78 HA LEU 12 HA LEU 12 -2.551 -2.698 -1.435 79 HB2 LEU 12 2HB LEU 12 0.173 -3.130 -0.274 80 HB3 LEU 12 1HB LEU 12 -0.694 -1.682 0.177 81 HG LEU 12 HG LEU 12 -0.905 -3.469 1.856 82 HD11 LEU 12 1HD1 LEU 12 -3.481 -2.816 0.472 83 HD12 LEU 12 2HD1 LEU 12 -2.649 -1.824 1.670 84 HD13 LEU 12 3HD1 LEU 12 -3.311 -3.393 2.129 85 HD21 LEU 12 1HD2 LEU 12 -0.825 -5.423 0.390 86 HD22 LEU 12 2HD2 LEU 12 -2.385 -4.976 -0.295 87 HD23 LEU 12 3HD2 LEU 12 -2.271 -5.447 1.400 88 H PHE 13 HN PHE 13 -2.647 -0.422 -1.426 89 HA PHE 13 HA PHE 13 -0.743 0.862 -3.232 90 HB2 PHE 13 2HB PHE 13 -3.686 1.422 -2.781 91 HB3 PHE 13 1HB PHE 13 -2.621 2.474 -3.705 92 HD1 PHE 13 1HD PHE 13 -1.789 1.808 -5.855 93 HD2 PHE 13 2HD PHE 13 -4.407 -0.727 -3.678 94 HE1 PHE 13 1HE PHE 13 -2.190 0.479 -7.881 95 HE2 PHE 13 2HE PHE 13 -4.811 -2.050 -5.706 96 HZ PHE 13 HZ PHE 13 -3.707 -1.452 -7.801 97 H CYS 14 HN CYS 14 0.038 2.880 -2.586 98 HA CYS 14 HA CYS 14 -0.327 3.298 0.273 99 HB2 CYS 14 2HB CYS 14 1.954 4.193 -1.464 100 HB3 CYS 14 1HB CYS 14 1.843 4.273 0.287 101 H ILE 15 HN ILE 15 -1.034 5.126 0.979 102 HA ILE 15 HA ILE 15 -0.984 7.486 -0.620 103 HB ILE 15 HB ILE 15 -3.121 6.602 -1.250 104 HG12 ILE 15 2HG1 ILE 15 -3.545 8.762 0.830 105 HG13 ILE 15 1HG1 ILE 15 -3.049 9.020 -0.838 106 HG21 ILE 15 1HG2 ILE 15 -3.516 4.984 0.482 107 HG22 ILE 15 2HG2 ILE 15 -4.914 6.057 0.366 108 HG23 ILE 15 3HG2 ILE 15 -3.750 6.262 1.674 109 HD11 ILE 15 1HD1 ILE 15 -5.408 9.516 -0.549 110 HD12 ILE 15 2HD1 ILE 15 -5.687 7.895 0.081 111 HD13 ILE 15 3HD1 ILE 15 -5.199 8.115 -1.598 112 H GLU 16 HN GLU 16 -0.088 8.852 0.590 113 HA GLU 16 HA GLU 16 0.645 10.117 2.290 114 HB2 GLU 16 2HB GLU 16 -1.905 9.143 3.428 115 HB3 GLU 16 1HB GLU 16 -0.856 10.293 4.283 116 HG2 GLU 16 2HG GLU 16 -1.117 11.837 2.357 117 HG3 GLU 16 1HG GLU 16 -2.230 10.682 1.622 118 H GLY 17 HN GLY 17 1.278 7.245 2.141 119 HA2 GLY 17 2HA GLY 17 2.996 6.140 3.345 120 HA3 GLY 17 1HA GLY 17 2.542 7.060 4.775 121 H ILE 18 HN ILE 18 -0.260 6.105 3.548 122 HA ILE 18 HA ILE 18 -0.407 3.820 5.372 123 HB ILE 18 HB ILE 18 -2.653 5.387 4.065 124 HG12 ILE 18 2HG1 ILE 18 -1.603 5.609 6.898 125 HG13 ILE 18 1HG1 ILE 18 -1.326 6.789 5.623 126 HG21 ILE 18 1HG2 ILE 18 -2.684 3.387 6.331 127 HG22 ILE 18 2HG2 ILE 18 -3.285 3.116 4.696 128 HG23 ILE 18 3HG2 ILE 18 -4.082 4.290 5.744 129 HD11 ILE 18 1HD1 ILE 18 -4.001 6.036 6.780 130 HD12 ILE 18 2HD1 ILE 18 -3.725 7.215 5.498 131 HD13 ILE 18 3HD1 ILE 18 -3.097 7.513 7.118 132 H CYS 19 HN CYS 19 -0.423 1.869 4.437 133 HA CYS 19 HA CYS 19 -0.959 1.671 1.608 134 HB2 CYS 19 2HB CYS 19 -0.229 -0.520 3.571 135 HB3 CYS 19 1HB CYS 19 -0.244 -0.611 1.826 136 H VAL 20 HN VAL 20 -3.002 1.592 1.048 137 HA VAL 20 HA VAL 20 -4.736 -0.327 2.270 138 HB VAL 20 HB VAL 20 -5.156 1.676 3.651 139 HG11 VAL 20 1HG1 VAL 20 -6.127 3.719 2.737 140 HG12 VAL 20 2HG1 VAL 20 -5.860 3.094 1.108 141 HG13 VAL 20 3HG1 VAL 20 -4.486 3.421 2.161 142 HG21 VAL 20 1HG2 VAL 20 -7.449 1.080 1.783 143 HG22 VAL 20 2HG2 VAL 20 -7.597 1.901 3.335 144 HG23 VAL 20 3HG2 VAL 20 -7.055 0.225 3.274 145 HA PRO 21 HA PRO 21 -5.575 -0.439 -2.074 146 HB2 PRO 21 2HB PRO 21 -7.173 -2.597 -2.119 147 HB3 PRO 21 1HB PRO 21 -5.444 -2.739 -1.782 148 HG2 PRO 21 2HG PRO 21 -7.759 -2.853 0.071 149 HG3 PRO 21 1HG PRO 21 -6.225 -3.736 0.140 150 HD2 PRO 21 2HD PRO 21 -6.885 -1.446 1.613 151 HD3 PRO 21 1HD PRO 21 -5.255 -2.106 1.385 152 H MET 22 HN MET 22 -7.531 -0.485 -3.526 153 HA MET 22 HA MET 22 -9.445 1.245 -2.361 154 HB2 MET 22 2HB MET 22 -8.289 1.829 -4.519 155 HB3 MET 22 1HB MET 22 -9.139 0.450 -5.226 156 HG2 MET 22 2HG MET 22 -11.261 1.502 -4.892 157 HG3 MET 22 1HG MET 22 -10.505 2.840 -4.031 158 HE1 MET 22 1HE MET 22 -9.216 1.017 -7.298 159 HE2 MET 22 2HE MET 22 -9.937 2.030 -8.550 160 HE3 MET 22 3HE MET 22 -10.968 1.057 -7.500 161 H ILE 23 HN ILE 23 -11.704 0.807 -2.775 162 HA ILE 23 HA ILE 23 -12.206 -2.063 -2.650 163 HB ILE 23 HB ILE 23 -13.995 0.239 -1.750 164 HG12 ILE 23 2HG1 ILE 23 -13.724 -0.864 0.542 165 HG13 ILE 23 1HG1 ILE 23 -12.443 -1.828 -0.167 166 HG21 ILE 23 1HG2 ILE 23 -15.364 -1.568 -2.593 167 HG22 ILE 23 2HG2 ILE 23 -15.519 -1.432 -0.840 168 HG23 ILE 23 3HG2 ILE 23 -14.532 -2.712 -1.541 169 HD11 ILE 23 1HD1 ILE 23 -11.535 0.024 1.089 170 HD12 ILE 23 2HD1 ILE 23 -12.475 1.169 0.136 171 HD13 ILE 23 3HD1 ILE 23 -11.185 0.238 -0.625 172 HN1 NH2 24 HN1 NH2 24 -14.344 0.540 -3.714 173 HN2 NH2 24 HN2 NH2 24 -14.650 -0.126 -5.276 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 4.818 5.815 -3.238 2 H2 ALA 1 2HT ALA 1 3.903 5.583 -4.626 3 H3 ALA 1 3HT ALA 1 4.653 4.274 -3.875 4 HA ALA 1 HA ALA 1 2.529 5.950 -2.701 5 HB1 ALA 1 1HB ALA 1 2.368 3.110 -3.737 6 HB2 ALA 1 2HB ALA 1 1.700 4.533 -4.536 7 HB3 ALA 1 3HB ALA 1 1.063 4.018 -2.977 8 H CYS 2 HN CYS 2 4.006 2.702 -2.380 9 HA CYS 2 HA CYS 2 3.710 2.766 0.507 10 HB2 CYS 2 2HB CYS 2 5.043 0.687 -1.247 11 HB3 CYS 2 1HB CYS 2 4.394 0.465 0.371 12 H LYS 3 HN LYS 3 5.682 2.484 1.926 13 HA LYS 3 HA LYS 3 7.949 3.844 0.778 14 HB2 LYS 3 2HB LYS 3 7.629 2.536 3.494 15 HB3 LYS 3 1HB LYS 3 8.949 3.595 3.042 16 HG2 LYS 3 2HG LYS 3 7.241 5.409 2.697 17 HG3 LYS 3 1HG LYS 3 6.052 4.318 3.404 18 HD2 LYS 3 2HD LYS 3 8.550 5.372 4.742 19 HD3 LYS 3 1HD LYS 3 6.898 5.872 5.079 20 HE2 LYS 3 2HE LYS 3 8.068 3.125 5.557 21 HE3 LYS 3 1HE LYS 3 7.745 4.338 6.783 22 HZ1 LYS 3 1HZ LYS 3 5.765 2.864 5.136 23 HZ2 LYS 3 2HZ LYS 3 5.350 4.163 6.148 24 HZ3 LYS 3 3HZ LYS 3 6.008 2.759 6.797 25 H GLU 4 HN GLU 4 7.374 0.721 2.343 26 HA GLU 4 HA GLU 4 9.147 -0.503 0.381 27 HB2 GLU 4 2HB GLU 4 8.430 -1.352 3.198 28 HB3 GLU 4 1HB GLU 4 9.319 -2.360 2.068 29 HG2 GLU 4 2HG GLU 4 10.200 0.306 3.154 30 HG3 GLU 4 1HG GLU 4 10.775 -1.267 3.703 31 H TYR 5 HN TYR 5 8.314 -2.610 -0.390 32 HA TYR 5 HA TYR 5 5.533 -2.405 -1.013 33 HB2 TYR 5 2HB TYR 5 7.225 -3.372 -2.572 34 HB3 TYR 5 1HB TYR 5 7.363 -4.763 -1.510 35 HD1 TYR 5 1HD TYR 5 5.827 -6.584 -1.686 36 HD2 TYR 5 2HD TYR 5 4.992 -2.914 -3.678 37 HE1 TYR 5 1HE TYR 5 3.965 -7.644 -2.845 38 HE2 TYR 5 2HE TYR 5 3.131 -3.965 -4.848 39 HH TYR 5 HH TYR 5 2.374 -6.170 -5.493 40 H TRP 6 HN TRP 6 7.277 -4.885 0.653 41 HA TRP 6 HA TRP 6 5.105 -6.425 1.594 42 HB2 TRP 6 2HB TRP 6 6.803 -7.339 3.252 43 HB3 TRP 6 1HB TRP 6 7.212 -7.456 1.541 44 HD1 TRP 6 1HD TRP 6 8.112 -5.304 4.640 45 HE1 TRP 6 1HE TRP 6 10.479 -4.325 4.242 46 HE3 TRP 6 3HE TRP 6 8.912 -6.986 -0.112 47 HZ2 TRP 6 2HZ TRP 6 12.392 -4.297 2.202 48 HZ3 TRP 6 3HZ TRP 6 11.034 -6.441 -1.210 49 HH2 TRP 6 2HH TRP 6 12.738 -5.122 -0.073 50 H GLU 7 HN GLU 7 6.252 -3.493 2.653 51 HA GLU 7 HA GLU 7 5.720 -3.336 5.377 52 HB2 GLU 7 2HB GLU 7 6.876 -1.678 4.182 53 HB3 GLU 7 1HB GLU 7 5.512 -1.369 3.123 54 HG2 GLU 7 2HG GLU 7 4.332 -0.396 5.019 55 HG3 GLU 7 1HG GLU 7 5.737 -0.731 6.043 56 H CYS 8 HN CYS 8 3.679 -2.894 2.657 57 HA CYS 8 HA CYS 8 1.364 -2.933 4.395 58 HB2 CYS 8 2HB CYS 8 1.816 -1.908 1.628 59 HB3 CYS 8 1HB CYS 8 0.209 -2.115 2.319 60 H GLY 9 HN GLY 9 2.970 -4.536 1.773 61 HA2 GLY 9 2HA GLY 9 2.714 -6.935 1.756 62 HA3 GLY 9 1HA GLY 9 0.993 -6.676 2.044 63 H ALA 10 HN ALA 10 0.856 -8.017 0.133 64 HA ALA 10 HA ALA 10 1.586 -6.783 -2.362 65 HB1 ALA 10 1HB ALA 10 0.122 -9.343 -1.778 66 HB2 ALA 10 2HB ALA 10 1.853 -9.186 -2.089 67 HB3 ALA 10 3HB ALA 10 0.685 -8.820 -3.362 68 H PHE 11 HN PHE 11 0.336 -5.664 -3.585 69 HA PHE 11 HA PHE 11 -1.383 -4.742 -4.647 70 HB2 PHE 11 2HB PHE 11 -3.029 -6.955 -3.429 71 HB3 PHE 11 1HB PHE 11 -3.631 -5.816 -4.626 72 HD1 PHE 11 1HD PHE 11 -2.026 -8.919 -4.091 73 HD2 PHE 11 2HD PHE 11 -2.353 -5.712 -6.863 74 HE1 PHE 11 1HE PHE 11 -1.181 -10.388 -5.887 75 HE2 PHE 11 2HE PHE 11 -1.517 -7.170 -8.657 76 HZ PHE 11 HZ PHE 11 -0.929 -9.512 -8.163 77 H LEU 12 HN LEU 12 -0.819 -4.089 -1.711 78 HA LEU 12 HA LEU 12 -3.328 -2.732 -1.099 79 HB2 LEU 12 2HB LEU 12 -0.729 -2.928 0.396 80 HB3 LEU 12 1HB LEU 12 -1.820 -1.610 0.742 81 HG LEU 12 HG LEU 12 -2.153 -3.260 2.404 82 HD11 LEU 12 1HD1 LEU 12 -4.423 -3.464 0.447 83 HD12 LEU 12 2HD1 LEU 12 -4.160 -2.182 1.625 84 HD13 LEU 12 3HD1 LEU 12 -4.485 -3.822 2.171 85 HD21 LEU 12 1HD2 LEU 12 -2.771 -5.586 1.899 86 HD22 LEU 12 2HD2 LEU 12 -1.175 -5.185 1.270 87 HD23 LEU 12 3HD2 LEU 12 -2.559 -5.261 0.178 88 H PHE 13 HN PHE 13 -3.650 -0.568 -1.215 89 HA PHE 13 HA PHE 13 -1.728 0.822 -2.892 90 HB2 PHE 13 2HB PHE 13 -4.138 0.811 -3.588 91 HB3 PHE 13 1HB PHE 13 -4.546 1.615 -2.078 92 HD1 PHE 13 1HD PHE 13 -2.196 2.050 -4.943 93 HD2 PHE 13 2HD PHE 13 -4.853 3.893 -2.180 94 HE1 PHE 13 1HE PHE 13 -1.821 4.209 -6.035 95 HE2 PHE 13 2HE PHE 13 -4.481 6.067 -3.273 96 HZ PHE 13 HZ PHE 13 -2.966 6.229 -5.203 97 H CYS 14 HN CYS 14 -0.327 2.000 -1.838 98 HA CYS 14 HA CYS 14 -0.949 2.611 0.941 99 HB2 CYS 14 2HB CYS 14 1.689 2.901 -0.419 100 HB3 CYS 14 1HB CYS 14 1.359 2.741 1.300 101 H ILE 15 HN ILE 15 -1.319 4.585 1.507 102 HA ILE 15 HA ILE 15 -0.728 6.718 -0.390 103 HB ILE 15 HB ILE 15 -2.860 6.743 1.753 104 HG12 ILE 15 2HG1 ILE 15 -3.225 6.305 -1.222 105 HG13 ILE 15 1HG1 ILE 15 -3.399 5.063 0.011 106 HG21 ILE 15 1HG2 ILE 15 -3.680 8.725 0.477 107 HG22 ILE 15 2HG2 ILE 15 -2.284 8.581 -0.590 108 HG23 ILE 15 3HG2 ILE 15 -2.054 8.952 1.119 109 HD11 ILE 15 1HD1 ILE 15 -5.296 6.281 0.961 110 HD12 ILE 15 2HD1 ILE 15 -5.558 5.892 -0.740 111 HD13 ILE 15 3HD1 ILE 15 -5.096 7.527 -0.266 112 H GLU 16 HN GLU 16 1.016 7.462 0.292 113 HA GLU 16 HA GLU 16 2.609 8.520 1.431 114 HB2 GLU 16 2HB GLU 16 0.382 8.942 3.324 115 HB3 GLU 16 1HB GLU 16 1.947 9.795 3.419 116 HG2 GLU 16 2HG GLU 16 1.462 10.692 1.142 117 HG3 GLU 16 1HG GLU 16 -0.129 9.949 1.230 118 H GLY 17 HN GLY 17 2.024 5.715 1.885 119 HA2 GLY 17 2HA GLY 17 3.577 4.222 2.959 120 HA3 GLY 17 1HA GLY 17 3.730 5.391 4.263 121 H ILE 18 HN ILE 18 0.608 5.454 3.816 122 HA ILE 18 HA ILE 18 0.085 3.477 5.876 123 HB ILE 18 HB ILE 18 -1.635 5.663 4.668 124 HG12 ILE 18 2HG1 ILE 18 -0.301 5.468 7.379 125 HG13 ILE 18 1HG1 ILE 18 0.278 6.437 6.032 126 HG21 ILE 18 1HG2 ILE 18 -3.203 5.221 6.511 127 HG22 ILE 18 2HG2 ILE 18 -2.227 3.831 6.992 128 HG23 ILE 18 3HG2 ILE 18 -3.046 3.835 5.430 129 HD11 ILE 18 1HD1 ILE 18 -0.889 7.770 7.707 130 HD12 ILE 18 2HD1 ILE 18 -2.352 6.808 7.442 131 HD13 ILE 18 3HD1 ILE 18 -1.707 7.813 6.150 132 H CYS 19 HN CYS 19 -1.131 1.646 5.524 133 HA CYS 19 HA CYS 19 -1.421 0.874 2.754 134 HB2 CYS 19 2HB CYS 19 -2.162 -0.925 5.060 135 HB3 CYS 19 1HB CYS 19 -1.474 -1.280 3.508 136 H VAL 20 HN VAL 20 -3.250 1.295 1.725 137 HA VAL 20 HA VAL 20 -5.780 1.197 3.195 138 HB VAL 20 HB VAL 20 -5.003 2.993 0.849 139 HG11 VAL 20 1HG1 VAL 20 -7.519 3.034 2.505 140 HG12 VAL 20 2HG1 VAL 20 -7.383 2.434 0.855 141 HG13 VAL 20 3HG1 VAL 20 -7.113 4.145 1.196 142 HG21 VAL 20 1HG2 VAL 20 -3.866 3.718 2.863 143 HG22 VAL 20 2HG2 VAL 20 -5.387 3.711 3.752 144 HG23 VAL 20 3HG2 VAL 20 -5.139 4.867 2.448 145 HA PRO 21 HA PRO 21 -6.863 -1.994 0.166 146 HB2 PRO 21 2HB PRO 21 -9.534 -1.241 -0.202 147 HB3 PRO 21 1HB PRO 21 -8.952 -2.360 1.032 148 HG2 PRO 21 2HG PRO 21 -9.570 0.555 1.255 149 HG3 PRO 21 1HG PRO 21 -9.879 -0.748 2.417 150 HD2 PRO 21 2HD PRO 21 -7.861 0.945 2.782 151 HD3 PRO 21 1HD PRO 21 -7.662 -0.781 3.148 152 H MET 22 HN MET 22 -6.656 -2.025 -2.005 153 HA MET 22 HA MET 22 -6.474 0.432 -3.335 154 HB2 MET 22 2HB MET 22 -4.852 -1.295 -3.771 155 HB3 MET 22 1HB MET 22 -6.145 -2.356 -4.362 156 HG2 MET 22 2HG MET 22 -6.493 -0.931 -6.264 157 HG3 MET 22 1HG MET 22 -5.325 0.232 -5.647 158 HE1 MET 22 1HE MET 22 -1.934 -1.628 -6.015 159 HE2 MET 22 2HE MET 22 -2.950 -1.615 -4.584 160 HE3 MET 22 3HE MET 22 -2.757 -0.144 -5.539 161 H ILE 23 HN ILE 23 -7.629 1.014 -5.102 162 HA ILE 23 HA ILE 23 -10.318 -0.180 -5.285 163 HB ILE 23 HB ILE 23 -9.579 2.734 -5.745 164 HG12 ILE 23 2HG1 ILE 23 -9.382 2.159 -3.372 165 HG13 ILE 23 1HG1 ILE 23 -10.759 3.218 -3.640 166 HG21 ILE 23 1HG2 ILE 23 -12.290 1.410 -5.625 167 HG22 ILE 23 2HG2 ILE 23 -11.505 2.038 -7.074 168 HG23 ILE 23 3HG2 ILE 23 -12.002 3.142 -5.791 169 HD11 ILE 23 1HD1 ILE 23 -10.859 0.234 -3.193 170 HD12 ILE 23 2HD1 ILE 23 -12.254 1.273 -3.483 171 HD13 ILE 23 3HD1 ILE 23 -11.286 1.485 -2.025 172 HN1 NH2 24 HN1 NH2 24 -9.755 -1.514 -6.946 173 HN2 NH2 24 HN2 NH2 24 -9.351 -0.955 -8.533 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 4.314 7.310 -2.585 2 H2 ALA 1 2HT ALA 1 3.769 6.026 -3.516 3 H3 ALA 1 3HT ALA 1 4.693 7.247 -4.236 4 HA ALA 1 HA ALA 1 5.973 5.254 -3.875 5 HB1 ALA 1 1HB ALA 1 7.811 6.235 -2.593 6 HB2 ALA 1 2HB ALA 1 6.730 7.503 -2.012 7 HB3 ALA 1 3HB ALA 1 7.127 7.396 -3.727 8 H CYS 2 HN CYS 2 5.542 3.382 -2.882 9 HA CYS 2 HA CYS 2 4.839 3.365 -0.056 10 HB2 CYS 2 2HB CYS 2 4.984 1.127 -2.102 11 HB3 CYS 2 1HB CYS 2 4.376 0.971 -0.457 12 H LYS 3 HN LYS 3 6.198 2.298 1.475 13 HA LYS 3 HA LYS 3 8.934 2.499 0.685 14 HB2 LYS 3 2HB LYS 3 8.288 3.375 2.859 15 HB3 LYS 3 1HB LYS 3 7.727 1.793 3.358 16 HG2 LYS 3 2HG LYS 3 9.922 2.465 4.329 17 HG3 LYS 3 1HG LYS 3 9.959 0.938 3.462 18 HD2 LYS 3 2HD LYS 3 11.939 2.274 2.947 19 HD3 LYS 3 1HD LYS 3 10.940 2.080 1.513 20 HE2 LYS 3 2HE LYS 3 9.998 4.318 1.897 21 HE3 LYS 3 1HE LYS 3 11.060 4.520 3.293 22 HZ1 LYS 3 1HZ LYS 3 12.958 4.276 1.753 23 HZ2 LYS 3 2HZ LYS 3 11.955 5.594 1.368 24 HZ3 LYS 3 3HZ LYS 3 11.866 4.203 0.457 25 H GLU 4 HN GLU 4 7.019 -0.276 2.048 26 HA GLU 4 HA GLU 4 8.782 -1.928 0.521 27 HB2 GLU 4 2HB GLU 4 8.325 -2.132 3.466 28 HB3 GLU 4 1HB GLU 4 8.822 -3.509 2.495 29 HG2 GLU 4 2HG GLU 4 10.799 -2.193 1.747 30 HG3 GLU 4 1HG GLU 4 10.305 -0.903 2.826 31 H TYR 5 HN TYR 5 7.965 -3.716 -0.221 32 HA TYR 5 HA TYR 5 5.306 -3.902 -0.947 33 HB2 TYR 5 2HB TYR 5 7.292 -4.972 -2.037 34 HB3 TYR 5 1HB TYR 5 7.295 -6.161 -0.751 35 HD1 TYR 5 1HD TYR 5 5.502 -7.910 -0.677 36 HD2 TYR 5 2HD TYR 5 5.724 -5.054 -3.821 37 HE1 TYR 5 1HE TYR 5 4.042 -9.313 -2.046 38 HE2 TYR 5 2HE TYR 5 4.268 -6.440 -5.196 39 HH TYR 5 HH TYR 5 3.671 -8.775 -5.375 40 H TRP 6 HN TRP 6 7.019 -5.777 1.413 41 HA TRP 6 HA TRP 6 4.849 -7.387 2.233 42 HB2 TRP 6 2HB TRP 6 6.236 -8.070 4.151 43 HB3 TRP 6 1HB TRP 6 7.123 -8.125 2.633 44 HD1 TRP 6 1HD TRP 6 9.150 -6.420 2.343 45 HE1 TRP 6 1HE TRP 6 10.488 -4.995 4.039 46 HE3 TRP 6 3HE TRP 6 6.010 -6.729 6.368 47 HZ2 TRP 6 2HZ TRP 6 10.258 -4.150 6.696 48 HZ3 TRP 6 3HZ TRP 6 6.646 -5.583 8.448 49 HH2 TRP 6 2HH TRP 6 8.730 -4.325 8.607 50 H GLU 7 HN GLU 7 5.711 -4.194 3.146 51 HA GLU 7 HA GLU 7 4.394 -4.188 5.680 52 HB2 GLU 7 2HB GLU 7 6.201 -2.597 5.160 53 HB3 GLU 7 1HB GLU 7 5.229 -1.896 3.881 54 HG2 GLU 7 2HG GLU 7 5.252 -0.484 5.854 55 HG3 GLU 7 1HG GLU 7 3.630 -1.085 5.522 56 H CYS 8 HN CYS 8 3.457 -3.734 2.437 57 HA CYS 8 HA CYS 8 0.789 -2.864 3.206 58 HB2 CYS 8 2HB CYS 8 2.064 -3.153 0.490 59 HB3 CYS 8 1HB CYS 8 0.523 -2.407 0.883 60 H GLY 9 HN GLY 9 2.388 -5.643 3.074 61 HA2 GLY 9 2HA GLY 9 1.677 -7.846 2.927 62 HA3 GLY 9 1HA GLY 9 0.123 -7.275 2.315 63 H ALA 10 HN ALA 10 -0.005 -6.612 0.198 64 HA ALA 10 HA ALA 10 1.991 -7.732 -1.640 65 HB1 ALA 10 1HB ALA 10 0.114 -7.859 -3.269 66 HB2 ALA 10 2HB ALA 10 -0.988 -7.290 -2.014 67 HB3 ALA 10 3HB ALA 10 -0.189 -8.852 -1.842 68 H PHE 11 HN PHE 11 1.791 -6.331 -3.823 69 HA PHE 11 HA PHE 11 2.353 -3.660 -3.108 70 HB2 PHE 11 2HB PHE 11 3.212 -4.632 -5.226 71 HB3 PHE 11 1HB PHE 11 1.569 -4.690 -5.859 72 HD1 PHE 11 1HD PHE 11 4.296 -2.442 -4.793 73 HD2 PHE 11 2HD PHE 11 0.536 -2.742 -6.773 74 HE1 PHE 11 1HE PHE 11 4.546 -0.146 -5.610 75 HE2 PHE 11 2HE PHE 11 0.790 -0.432 -7.594 76 HZ PHE 11 HZ PHE 11 2.791 0.862 -7.013 77 H LEU 12 HN LEU 12 1.041 -2.127 -2.576 78 HA LEU 12 HA LEU 12 -1.744 -2.224 -3.379 79 HB2 LEU 12 2HB LEU 12 -1.466 -3.403 -1.202 80 HB3 LEU 12 1HB LEU 12 -0.664 -1.986 -0.573 81 HG LEU 12 HG LEU 12 -2.694 -0.745 -0.535 82 HD11 LEU 12 1HD1 LEU 12 -4.827 -1.718 -1.292 83 HD12 LEU 12 2HD1 LEU 12 -4.003 -3.196 -1.779 84 HD13 LEU 12 3HD1 LEU 12 -3.691 -1.688 -2.638 85 HD21 LEU 12 1HD2 LEU 12 -2.270 -2.225 1.337 86 HD22 LEU 12 2HD2 LEU 12 -3.122 -3.534 0.517 87 HD23 LEU 12 3HD2 LEU 12 -4.001 -2.094 1.026 88 H PHE 13 HN PHE 13 -2.722 -0.056 -2.860 89 HA PHE 13 HA PHE 13 -0.846 1.966 -3.677 90 HB2 PHE 13 2HB PHE 13 -3.817 2.114 -3.178 91 HB3 PHE 13 1HB PHE 13 -2.838 3.399 -3.872 92 HD1 PHE 13 1HD PHE 13 -1.627 2.911 -6.056 93 HD2 PHE 13 2HD PHE 13 -4.763 0.472 -4.536 94 HE1 PHE 13 1HE PHE 13 -2.007 2.006 -8.302 95 HE2 PHE 13 2HE PHE 13 -5.142 -0.440 -6.775 96 HZ PHE 13 HZ PHE 13 -3.759 0.339 -8.670 97 H CYS 14 HN CYS 14 -0.187 3.660 -2.485 98 HA CYS 14 HA CYS 14 -0.906 3.551 0.349 99 HB2 CYS 14 2HB CYS 14 1.686 4.475 -0.884 100 HB3 CYS 14 1HB CYS 14 1.324 4.343 0.833 101 H ILE 15 HN ILE 15 -1.396 5.375 1.375 102 HA ILE 15 HA ILE 15 -1.217 7.909 -0.045 103 HB ILE 15 HB ILE 15 -3.526 7.013 1.694 104 HG12 ILE 15 2HG1 ILE 15 -3.498 7.506 -1.296 105 HG13 ILE 15 1HG1 ILE 15 -3.618 5.928 -0.527 106 HG21 ILE 15 1HG2 ILE 15 -3.082 9.379 1.920 107 HG22 ILE 15 2HG2 ILE 15 -4.570 9.161 0.995 108 HG23 ILE 15 3HG2 ILE 15 -3.069 9.576 0.168 109 HD11 ILE 15 1HD1 ILE 15 -5.637 8.156 -0.374 110 HD12 ILE 15 2HD1 ILE 15 -5.773 6.603 0.446 111 HD13 ILE 15 3HD1 ILE 15 -5.782 6.671 -1.318 112 H GLU 16 HN GLU 16 0.226 8.866 1.089 113 HA GLU 16 HA GLU 16 1.376 9.887 2.734 114 HB2 GLU 16 2HB GLU 16 -1.146 9.292 4.170 115 HB3 GLU 16 1HB GLU 16 0.140 10.329 4.829 116 HG2 GLU 16 2HG GLU 16 -1.470 10.822 2.320 117 HG3 GLU 16 1HG GLU 16 -1.711 11.636 3.865 118 H GLY 17 HN GLY 17 1.452 6.983 2.381 119 HA2 GLY 17 2HA GLY 17 3.143 5.599 3.345 120 HA3 GLY 17 1HA GLY 17 2.801 6.325 4.909 121 H ILE 18 HN ILE 18 -0.153 5.970 3.980 122 HA ILE 18 HA ILE 18 -0.447 3.402 5.301 123 HB ILE 18 HB ILE 18 -2.521 5.418 4.383 124 HG12 ILE 18 2HG1 ILE 18 -1.448 4.859 7.152 125 HG13 ILE 18 1HG1 ILE 18 -1.019 6.256 6.168 126 HG21 ILE 18 1HG2 ILE 18 -3.465 3.173 4.507 127 HG22 ILE 18 2HG2 ILE 18 -4.087 4.171 5.824 128 HG23 ILE 18 3HG2 ILE 18 -2.826 2.983 6.139 129 HD11 ILE 18 1HD1 ILE 18 -3.744 5.595 7.260 130 HD12 ILE 18 2HD1 ILE 18 -3.357 6.995 6.261 131 HD13 ILE 18 3HD1 ILE 18 -2.646 6.833 7.868 132 H CYS 19 HN CYS 19 -0.484 1.600 4.050 133 HA CYS 19 HA CYS 19 -1.196 1.812 1.253 134 HB2 CYS 19 2HB CYS 19 -1.029 -0.861 2.579 135 HB3 CYS 19 1HB CYS 19 -0.435 -0.333 1.038 136 H VAL 20 HN VAL 20 -3.259 2.011 0.794 137 HA VAL 20 HA VAL 20 -5.207 1.018 2.712 138 HB VAL 20 HB VAL 20 -5.311 3.419 2.342 139 HG11 VAL 20 1HG1 VAL 20 -5.780 2.810 -0.561 140 HG12 VAL 20 2HG1 VAL 20 -4.371 3.606 0.139 141 HG13 VAL 20 3HG1 VAL 20 -5.949 4.398 0.185 142 HG21 VAL 20 1HG2 VAL 20 -7.414 2.338 2.817 143 HG22 VAL 20 2HG2 VAL 20 -7.661 1.995 1.106 144 HG23 VAL 20 3HG2 VAL 20 -7.682 3.662 1.681 145 HA PRO 21 HA PRO 21 -6.324 -2.348 -0.037 146 HB2 PRO 21 2HB PRO 21 -8.887 -1.949 1.438 147 HB3 PRO 21 1HB PRO 21 -7.987 -3.441 1.135 148 HG2 PRO 21 2HG PRO 21 -7.918 -2.306 3.526 149 HG3 PRO 21 1HG PRO 21 -6.450 -3.006 2.820 150 HD2 PRO 21 2HD PRO 21 -7.247 -0.148 3.084 151 HD3 PRO 21 1HD PRO 21 -5.640 -0.900 3.212 152 H MET 22 HN MET 22 -7.224 -2.315 -2.028 153 HA MET 22 HA MET 22 -8.409 0.017 -2.970 154 HB2 MET 22 2HB MET 22 -7.014 -1.525 -4.346 155 HB3 MET 22 1HB MET 22 -8.372 -2.661 -4.269 156 HG2 MET 22 2HG MET 22 -9.768 -1.137 -5.506 157 HG3 MET 22 1HG MET 22 -8.477 0.061 -5.535 158 HE1 MET 22 1HE MET 22 -9.647 -3.481 -6.791 159 HE2 MET 22 2HE MET 22 -8.110 -3.856 -6.004 160 HE3 MET 22 3HE MET 22 -8.259 -3.989 -7.754 161 H ILE 23 HN ILE 23 -10.450 0.296 -3.681 162 HA ILE 23 HA ILE 23 -12.453 -1.247 -2.189 163 HB ILE 23 HB ILE 23 -12.778 1.486 -3.469 164 HG12 ILE 23 2HG1 ILE 23 -11.143 1.616 -1.650 165 HG13 ILE 23 1HG1 ILE 23 -12.634 2.426 -1.194 166 HG21 ILE 23 1HG2 ILE 23 -14.547 0.021 -1.522 167 HG22 ILE 23 2HG2 ILE 23 -14.879 0.312 -3.231 168 HG23 ILE 23 3HG2 ILE 23 -14.790 1.668 -2.105 169 HD11 ILE 23 1HD1 ILE 23 -11.715 1.169 0.664 170 HD12 ILE 23 2HD1 ILE 23 -11.734 -0.309 -0.295 171 HD13 ILE 23 3HD1 ILE 23 -13.253 0.469 0.155 172 HN1 NH2 24 HN1 NH2 24 -12.986 -2.877 -3.498 173 HN2 NH2 24 HN2 NH2 24 -13.538 -2.727 -5.128 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 6.229 5.058 -4.758 2 H2 ALA 1 2HT ALA 1 5.883 3.775 -3.708 3 H3 ALA 1 3HT ALA 1 7.459 4.268 -3.933 4 HA ALA 1 HA ALA 1 7.120 6.334 -2.912 5 HB1 ALA 1 1HB ALA 1 5.025 6.996 -1.920 6 HB2 ALA 1 2HB ALA 1 4.268 5.488 -2.395 7 HB3 ALA 1 3HB ALA 1 4.758 6.652 -3.628 8 H CYS 2 HN CYS 2 5.162 3.643 -1.553 9 HA CYS 2 HA CYS 2 6.432 3.912 0.963 10 HB2 CYS 2 2HB CYS 2 4.848 1.617 -0.174 11 HB3 CYS 2 1HB CYS 2 5.275 1.814 1.517 12 H LYS 3 HN LYS 3 8.141 2.922 1.759 13 HA LYS 3 HA LYS 3 10.030 1.820 -0.112 14 HB2 LYS 3 2HB LYS 3 10.245 2.087 2.894 15 HB3 LYS 3 1HB LYS 3 11.569 1.803 1.775 16 HG2 LYS 3 2HG LYS 3 11.247 3.991 0.788 17 HG3 LYS 3 1HG LYS 3 9.853 4.275 1.830 18 HD2 LYS 3 2HD LYS 3 11.348 4.046 3.802 19 HD3 LYS 3 1HD LYS 3 12.715 3.902 2.696 20 HE2 LYS 3 2HE LYS 3 12.243 6.116 1.799 21 HE3 LYS 3 1HE LYS 3 10.835 6.250 2.846 22 HZ1 LYS 3 1HZ LYS 3 12.737 7.422 3.752 23 HZ2 LYS 3 2HZ LYS 3 13.644 6.000 3.762 24 HZ3 LYS 3 3HZ LYS 3 12.290 6.142 4.759 25 H GLU 4 HN GLU 4 8.497 0.703 2.870 26 HA GLU 4 HA GLU 4 9.320 -1.995 2.329 27 HB2 GLU 4 2HB GLU 4 7.409 -1.019 4.409 28 HB3 GLU 4 1HB GLU 4 8.217 -2.581 4.323 29 HG2 GLU 4 2HG GLU 4 9.572 0.072 4.800 30 HG3 GLU 4 1HG GLU 4 9.256 -1.156 6.024 31 H TYR 5 HN TYR 5 8.391 -2.598 0.664 32 HA TYR 5 HA TYR 5 5.677 -2.099 -0.146 33 HB2 TYR 5 2HB TYR 5 7.544 -2.394 -1.722 34 HB3 TYR 5 1HB TYR 5 7.712 -4.049 -1.197 35 HD1 TYR 5 1HD TYR 5 6.811 -5.665 -2.489 36 HD2 TYR 5 2HD TYR 5 5.026 -1.822 -2.555 37 HE1 TYR 5 1HE TYR 5 5.260 -6.439 -4.191 38 HE2 TYR 5 2HE TYR 5 3.445 -2.580 -4.275 39 HH TYR 5 HH TYR 5 3.053 -5.871 -5.064 40 H TRP 6 HN TRP 6 7.443 -4.805 0.968 41 HA TRP 6 HA TRP 6 5.441 -6.759 1.115 42 HB2 TRP 6 2HB TRP 6 7.049 -7.661 3.016 43 HB3 TRP 6 1HB TRP 6 7.522 -7.661 1.319 44 HD1 TRP 6 1HD TRP 6 8.102 -5.529 4.512 45 HE1 TRP 6 1HE TRP 6 10.377 -4.311 4.220 46 HE3 TRP 6 3HE TRP 6 9.235 -6.996 -0.255 47 HZ2 TRP 6 2HZ TRP 6 12.344 -4.048 2.275 48 HZ3 TRP 6 3HZ TRP 6 11.338 -6.213 -1.259 49 HH2 TRP 6 2HH TRP 6 12.861 -4.769 -0.021 50 H GLU 7 HN GLU 7 6.122 -4.133 3.203 51 HA GLU 7 HA GLU 7 4.682 -4.998 5.498 52 HB2 GLU 7 2HB GLU 7 6.341 -3.219 5.677 53 HB3 GLU 7 1HB GLU 7 5.452 -2.233 4.537 54 HG2 GLU 7 2HG GLU 7 3.667 -1.930 6.136 55 HG3 GLU 7 1HG GLU 7 4.460 -3.014 7.272 56 H CYS 8 HN CYS 8 3.722 -3.863 2.462 57 HA CYS 8 HA CYS 8 1.084 -3.080 3.361 58 HB2 CYS 8 2HB CYS 8 2.367 -3.028 0.643 59 HB3 CYS 8 1HB CYS 8 0.834 -2.295 1.117 60 H GLY 9 HN GLY 9 2.637 -5.880 2.602 61 HA2 GLY 9 2HA GLY 9 1.756 -7.974 2.223 62 HA3 GLY 9 1HA GLY 9 0.176 -7.232 1.985 63 H ALA 10 HN ALA 10 -0.282 -8.371 0.115 64 HA ALA 10 HA ALA 10 1.590 -8.201 -2.095 65 HB1 ALA 10 1HB ALA 10 0.605 -10.378 -1.579 66 HB2 ALA 10 2HB ALA 10 0.154 -9.837 -3.197 67 HB3 ALA 10 3HB ALA 10 -1.005 -9.720 -1.874 68 H PHE 11 HN PHE 11 1.484 -6.482 -3.300 69 HA PHE 11 HA PHE 11 0.832 -4.666 -4.435 70 HB2 PHE 11 2HB PHE 11 -1.301 -6.604 -5.314 71 HB3 PHE 11 1HB PHE 11 -1.111 -5.012 -6.028 72 HD1 PHE 11 1HD PHE 11 0.752 -4.517 -7.468 73 HD2 PHE 11 2HD PHE 11 0.338 -8.349 -5.686 74 HE1 PHE 11 1HE PHE 11 2.417 -5.411 -9.023 75 HE2 PHE 11 2HE PHE 11 2.017 -9.259 -7.247 76 HZ PHE 11 HZ PHE 11 3.058 -7.789 -8.917 77 H LEU 12 HN LEU 12 0.433 -3.370 -2.625 78 HA LEU 12 HA LEU 12 -2.392 -2.668 -2.514 79 HB2 LEU 12 2HB LEU 12 -1.519 -3.969 -0.490 80 HB3 LEU 12 1HB LEU 12 -0.559 -2.550 -0.143 81 HG LEU 12 HG LEU 12 -2.580 -1.221 0.152 82 HD11 LEU 12 1HD1 LEU 12 -4.045 -2.392 -1.417 83 HD12 LEU 12 2HD1 LEU 12 -4.766 -2.402 0.193 84 HD13 LEU 12 3HD1 LEU 12 -3.968 -3.846 -0.422 85 HD21 LEU 12 1HD2 LEU 12 -1.642 -2.397 2.085 86 HD22 LEU 12 2HD2 LEU 12 -2.653 -3.796 1.719 87 HD23 LEU 12 3HD2 LEU 12 -3.397 -2.271 2.193 88 H PHE 13 HN PHE 13 -2.804 -0.500 -2.551 89 HA PHE 13 HA PHE 13 -0.656 1.154 -3.542 90 HB2 PHE 13 2HB PHE 13 -3.604 1.743 -3.168 91 HB3 PHE 13 1HB PHE 13 -2.456 2.776 -4.008 92 HD1 PHE 13 1HD PHE 13 -1.628 2.175 -6.213 93 HD2 PHE 13 2HD PHE 13 -4.445 -0.293 -4.182 94 HE1 PHE 13 1HE PHE 13 -2.102 0.991 -8.310 95 HE2 PHE 13 2HE PHE 13 -4.916 -1.482 -6.274 96 HZ PHE 13 HZ PHE 13 -3.748 -0.842 -8.344 97 H CYS 14 HN CYS 14 -0.190 3.285 -2.682 98 HA CYS 14 HA CYS 14 -0.482 3.351 0.221 99 HB2 CYS 14 2HB CYS 14 1.321 4.986 -1.543 100 HB3 CYS 14 1HB CYS 14 1.346 4.910 0.202 101 H ILE 15 HN ILE 15 -1.586 4.867 1.168 102 HA ILE 15 HA ILE 15 -2.419 7.246 -0.224 103 HB ILE 15 HB ILE 15 -4.235 5.378 1.320 104 HG12 ILE 15 2HG1 ILE 15 -3.968 4.644 -1.005 105 HG13 ILE 15 1HG1 ILE 15 -5.600 5.237 -0.737 106 HG21 ILE 15 1HG2 ILE 15 -4.862 8.110 0.251 107 HG22 ILE 15 2HG2 ILE 15 -4.772 7.618 1.945 108 HG23 ILE 15 3HG2 ILE 15 -6.051 6.985 0.910 109 HD11 ILE 15 1HD1 ILE 15 -3.361 6.690 -2.134 110 HD12 ILE 15 2HD1 ILE 15 -4.948 7.369 -1.799 111 HD13 ILE 15 3HD1 ILE 15 -4.796 5.982 -2.882 112 H GLU 16 HN GLU 16 -1.761 8.756 0.979 113 HA GLU 16 HA GLU 16 -1.086 10.094 2.629 114 HB2 GLU 16 2HB GLU 16 -2.823 8.272 4.196 115 HB3 GLU 16 1HB GLU 16 -2.134 9.780 4.852 116 HG2 GLU 16 2HG GLU 16 -3.367 11.029 3.126 117 HG3 GLU 16 1HG GLU 16 -4.040 9.524 2.513 118 H GLY 17 HN GLY 17 0.280 7.498 2.024 119 HA2 GLY 17 2HA GLY 17 2.558 7.105 2.575 120 HA3 GLY 17 1HA GLY 17 2.245 7.710 4.192 121 H ILE 18 HN ILE 18 -0.306 5.880 3.725 122 HA ILE 18 HA ILE 18 1.000 3.443 4.748 123 HB ILE 18 HB ILE 18 -1.817 4.451 5.308 124 HG12 ILE 18 2HG1 ILE 18 0.585 4.462 7.145 125 HG13 ILE 18 1HG1 ILE 18 -0.095 5.884 6.363 126 HG21 ILE 18 1HG2 ILE 18 -0.260 2.166 6.520 127 HG22 ILE 18 2HG2 ILE 18 -1.635 2.021 5.426 128 HG23 ILE 18 3HG2 ILE 18 -1.856 2.697 7.042 129 HD11 ILE 18 1HD1 ILE 18 -0.778 5.714 8.699 130 HD12 ILE 18 2HD1 ILE 18 -1.502 4.139 8.379 131 HD13 ILE 18 3HD1 ILE 18 -2.164 5.586 7.617 132 H CYS 19 HN CYS 19 0.250 1.491 3.809 133 HA CYS 19 HA CYS 19 -1.127 1.844 1.312 134 HB2 CYS 19 2HB CYS 19 -0.112 -0.705 2.581 135 HB3 CYS 19 1HB CYS 19 -0.695 -0.496 0.948 136 H VAL 20 HN VAL 20 -3.173 1.453 0.918 137 HA VAL 20 HA VAL 20 -4.771 -0.038 2.821 138 HB VAL 20 HB VAL 20 -4.868 2.376 3.509 139 HG11 VAL 20 1HG1 VAL 20 -5.970 4.038 2.137 140 HG12 VAL 20 2HG1 VAL 20 -6.103 2.860 0.830 141 HG13 VAL 20 3HG1 VAL 20 -4.513 3.397 1.366 142 HG21 VAL 20 1HG2 VAL 20 -6.797 1.006 4.003 143 HG22 VAL 20 2HG2 VAL 20 -7.471 1.331 2.405 144 HG23 VAL 20 3HG2 VAL 20 -7.315 2.638 3.580 145 HA PRO 21 HA PRO 21 -6.312 -1.541 -1.090 146 HB2 PRO 21 2HB PRO 21 -8.739 -2.481 -0.287 147 HB3 PRO 21 1HB PRO 21 -7.220 -3.340 -0.003 148 HG2 PRO 21 2HG PRO 21 -8.784 -1.579 1.843 149 HG3 PRO 21 1HG PRO 21 -8.012 -3.141 2.180 150 HD2 PRO 21 2HD PRO 21 -6.873 -0.831 2.906 151 HD3 PRO 21 1HD PRO 21 -5.897 -2.197 2.328 152 H MET 22 HN MET 22 -7.494 -0.756 -2.765 153 HA MET 22 HA MET 22 -9.040 1.538 -2.262 154 HB2 MET 22 2HB MET 22 -7.451 1.224 -4.254 155 HB3 MET 22 1HB MET 22 -8.701 0.118 -4.847 156 HG2 MET 22 2HG MET 22 -9.340 2.982 -4.272 157 HG3 MET 22 1HG MET 22 -8.628 2.502 -5.803 158 HE1 MET 22 1HE MET 22 -11.385 4.071 -5.464 159 HE2 MET 22 2HE MET 22 -12.401 3.246 -6.644 160 HE3 MET 22 3HE MET 22 -10.729 3.635 -7.044 161 H ILE 23 HN ILE 23 -11.192 1.604 -2.681 162 HA ILE 23 HA ILE 23 -12.547 -1.000 -2.409 163 HB ILE 23 HB ILE 23 -13.633 1.701 -1.557 164 HG12 ILE 23 2HG1 ILE 23 -11.657 1.158 -0.195 165 HG13 ILE 23 1HG1 ILE 23 -13.120 1.053 0.768 166 HG21 ILE 23 1HG2 ILE 23 -15.271 0.369 -0.274 167 HG22 ILE 23 2HG2 ILE 23 -14.579 -1.104 -0.953 168 HG23 ILE 23 3HG2 ILE 23 -15.369 0.064 -2.009 169 HD11 ILE 23 1HD1 ILE 23 -11.578 -1.264 -0.385 170 HD12 ILE 23 2HD1 ILE 23 -13.057 -1.386 0.569 171 HD13 ILE 23 3HD1 ILE 23 -11.587 -0.746 1.302 172 HN1 NH2 24 HN1 NH2 24 -12.901 -1.443 -4.502 173 HN2 NH2 24 HN2 NH2 24 -13.873 -0.474 -5.559 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 7.485 6.453 -0.932 2 H2 ALA 1 2HT ALA 1 6.684 7.066 -2.279 3 H3 ALA 1 3HT ALA 1 6.535 5.438 -1.860 4 HA ALA 1 HA ALA 1 5.622 7.710 -0.225 5 HB1 ALA 1 1HB ALA 1 4.047 5.755 -1.899 6 HB2 ALA 1 2HB ALA 1 4.233 7.483 -2.212 7 HB3 ALA 1 3HB ALA 1 3.359 6.924 -0.783 8 H CYS 2 HN CYS 2 4.959 4.236 -0.773 9 HA CYS 2 HA CYS 2 4.619 3.799 2.025 10 HB2 CYS 2 2HB CYS 2 4.806 1.916 -0.336 11 HB3 CYS 2 1HB CYS 2 4.362 1.427 1.296 12 H LYS 3 HN LYS 3 6.044 2.578 3.335 13 HA LYS 3 HA LYS 3 8.761 3.107 2.640 14 HB2 LYS 3 2HB LYS 3 7.586 1.790 5.087 15 HB3 LYS 3 1HB LYS 3 9.299 2.137 4.875 16 HG2 LYS 3 2HG LYS 3 8.761 4.543 4.657 17 HG3 LYS 3 1HG LYS 3 7.067 4.166 4.933 18 HD2 LYS 3 2HD LYS 3 8.080 4.978 6.975 19 HD3 LYS 3 1HD LYS 3 7.647 3.285 7.164 20 HE2 LYS 3 2HE LYS 3 9.822 3.690 8.138 21 HE3 LYS 3 1HE LYS 3 10.002 2.668 6.723 22 HZ1 LYS 3 1HZ LYS 3 10.681 4.641 5.452 23 HZ2 LYS 3 2HZ LYS 3 11.682 4.402 6.784 24 HZ3 LYS 3 3HZ LYS 3 10.502 5.593 6.820 25 H GLU 4 HN GLU 4 7.036 0.064 3.443 26 HA GLU 4 HA GLU 4 8.756 -1.208 1.492 27 HB2 GLU 4 2HB GLU 4 7.999 -2.202 4.192 28 HB3 GLU 4 1HB GLU 4 8.767 -3.176 2.957 29 HG2 GLU 4 2HG GLU 4 10.719 -1.721 2.971 30 HG3 GLU 4 1HG GLU 4 9.957 -0.693 4.181 31 H TYR 5 HN TYR 5 7.479 -1.702 0.028 32 HA TYR 5 HA TYR 5 4.666 -1.842 0.111 33 HB2 TYR 5 2HB TYR 5 6.042 -1.272 -1.874 34 HB3 TYR 5 1HB TYR 5 6.569 -2.926 -1.949 35 HD1 TYR 5 1HD TYR 5 5.613 -4.227 -3.547 36 HD2 TYR 5 2HD TYR 5 3.280 -1.125 -1.806 37 HE1 TYR 5 1HE TYR 5 3.778 -4.797 -5.030 38 HE2 TYR 5 2HE TYR 5 1.419 -1.687 -3.298 39 HH TYR 5 HH TYR 5 1.491 -4.541 -5.317 40 H TRP 6 HN TRP 6 7.099 -4.255 -0.109 41 HA TRP 6 HA TRP 6 5.515 -6.560 -0.353 42 HB2 TRP 6 2HB TRP 6 7.437 -7.874 0.201 43 HB3 TRP 6 1HB TRP 6 8.051 -6.441 -0.608 44 HD1 TRP 6 1HD TRP 6 9.217 -4.543 1.092 45 HE1 TRP 6 1HE TRP 6 10.471 -4.903 3.337 46 HE3 TRP 6 3HE TRP 6 7.644 -9.273 2.179 47 HZ2 TRP 6 2HZ TRP 6 10.762 -6.915 5.253 48 HZ3 TRP 6 3HZ TRP 6 8.462 -10.341 4.234 49 HH2 TRP 6 2HH TRP 6 9.986 -9.182 5.734 50 H GLU 7 HN GLU 7 6.382 -4.767 2.492 51 HA GLU 7 HA GLU 7 5.675 -6.693 4.450 52 HB2 GLU 7 2HB GLU 7 7.252 -4.934 4.922 53 HB3 GLU 7 1HB GLU 7 6.045 -3.711 4.566 54 HG2 GLU 7 2HG GLU 7 4.739 -4.501 6.498 55 HG3 GLU 7 1HG GLU 7 6.042 -5.627 6.876 56 H CYS 8 HN CYS 8 3.990 -4.332 2.682 57 HA CYS 8 HA CYS 8 1.774 -4.056 4.435 58 HB2 CYS 8 2HB CYS 8 2.090 -3.316 1.537 59 HB3 CYS 8 1HB CYS 8 0.827 -2.759 2.631 60 H GLY 9 HN GLY 9 2.689 -6.344 2.035 61 HA2 GLY 9 2HA GLY 9 1.370 -8.416 2.218 62 HA3 GLY 9 1HA GLY 9 -0.050 -7.388 2.035 63 H ALA 10 HN ALA 10 -0.605 -8.633 0.201 64 HA ALA 10 HA ALA 10 1.153 -8.283 -2.094 65 HB1 ALA 10 1HB ALA 10 0.438 -10.570 -1.613 66 HB2 ALA 10 2HB ALA 10 -0.170 -10.021 -3.173 67 HB3 ALA 10 3HB ALA 10 -1.248 -10.079 -1.777 68 H PHE 11 HN PHE 11 0.785 -6.612 -3.255 69 HA PHE 11 HA PHE 11 -0.107 -4.984 -4.501 70 HB2 PHE 11 2HB PHE 11 -1.181 -6.837 -5.705 71 HB3 PHE 11 1HB PHE 11 -2.566 -6.742 -4.626 72 HD1 PHE 11 1HD PHE 11 -0.630 -4.805 -7.123 73 HD2 PHE 11 2HD PHE 11 -4.353 -5.315 -5.130 74 HE1 PHE 11 1HE PHE 11 -1.659 -3.173 -8.636 75 HE2 PHE 11 2HE PHE 11 -5.386 -3.680 -6.640 76 HZ PHE 11 HZ PHE 11 -4.039 -2.604 -8.393 77 H LEU 12 HN LEU 12 -0.131 -3.261 -3.251 78 HA LEU 12 HA LEU 12 -2.694 -2.466 -2.065 79 HB2 LEU 12 2HB LEU 12 0.037 -2.181 -0.778 80 HB3 LEU 12 1HB LEU 12 -1.328 -1.205 -0.309 81 HG LEU 12 HG LEU 12 -1.025 -2.893 1.323 82 HD11 LEU 12 1HD1 LEU 12 -3.370 -3.641 -0.375 83 HD12 LEU 12 2HD1 LEU 12 -3.301 -2.376 0.851 84 HD13 LEU 12 3HD1 LEU 12 -3.130 -4.068 1.319 85 HD21 LEU 12 1HD2 LEU 12 0.275 -4.502 0.061 86 HD22 LEU 12 2HD2 LEU 12 -1.149 -4.936 -0.884 87 HD23 LEU 12 3HD2 LEU 12 -1.094 -5.290 0.844 88 H PHE 13 HN PHE 13 -2.850 -0.070 -1.890 89 HA PHE 13 HA PHE 13 -1.285 1.196 -4.007 90 HB2 PHE 13 2HB PHE 13 -3.959 1.956 -2.787 91 HB3 PHE 13 1HB PHE 13 -3.126 2.870 -4.033 92 HD1 PHE 13 1HD PHE 13 -4.936 -0.240 -3.291 93 HD2 PHE 13 2HD PHE 13 -3.224 2.203 -6.318 94 HE1 PHE 13 1HE PHE 13 -6.100 -1.561 -5.016 95 HE2 PHE 13 2HE PHE 13 -4.383 0.891 -8.037 96 HZ PHE 13 HZ PHE 13 -5.823 -0.990 -7.387 97 H CYS 14 HN CYS 14 -0.391 3.253 -3.517 98 HA CYS 14 HA CYS 14 -0.088 3.651 -0.641 99 HB2 CYS 14 2HB CYS 14 1.532 4.831 -2.875 100 HB3 CYS 14 1HB CYS 14 1.762 5.093 -1.158 101 H ILE 15 HN ILE 15 -0.831 5.309 0.311 102 HA ILE 15 HA ILE 15 -1.327 7.744 -1.003 103 HB ILE 15 HB ILE 15 -3.364 6.636 -1.603 104 HG12 ILE 15 2HG1 ILE 15 -4.001 8.423 0.746 105 HG13 ILE 15 1HG1 ILE 15 -3.507 9.018 -0.836 106 HG21 ILE 15 1HG2 ILE 15 -3.382 4.825 -0.031 107 HG22 ILE 15 2HG2 ILE 15 -4.931 5.660 -0.012 108 HG23 ILE 15 3HG2 ILE 15 -3.769 5.932 1.289 109 HD11 ILE 15 1HD1 ILE 15 -5.987 7.426 -0.224 110 HD12 ILE 15 2HD1 ILE 15 -5.524 8.037 -1.811 111 HD13 ILE 15 3HD1 ILE 15 -5.919 9.163 -0.511 112 H GLU 16 HN GLU 16 -0.643 9.169 0.285 113 HA GLU 16 HA GLU 16 -0.094 10.409 2.005 114 HB2 GLU 16 2HB GLU 16 -2.038 8.646 3.388 115 HB3 GLU 16 1HB GLU 16 -1.314 10.095 4.134 116 HG2 GLU 16 2HG GLU 16 -3.074 10.003 1.673 117 HG3 GLU 16 1HG GLU 16 -3.597 10.518 3.276 118 H GLY 17 HN GLY 17 1.118 7.812 1.337 119 HA2 GLY 17 2HA GLY 17 3.223 6.972 1.976 120 HA3 GLY 17 1HA GLY 17 3.022 7.757 3.536 121 H ILE 18 HN ILE 18 0.268 6.054 2.760 122 HA ILE 18 HA ILE 18 1.149 3.822 4.452 123 HB ILE 18 HB ILE 18 -1.621 5.053 4.232 124 HG12 ILE 18 2HG1 ILE 18 -0.073 6.571 5.373 125 HG13 ILE 18 1HG1 ILE 18 -1.268 5.933 6.489 126 HG21 ILE 18 1HG2 ILE 18 -0.611 2.922 6.117 127 HG22 ILE 18 2HG2 ILE 18 -1.730 2.681 4.779 128 HG23 ILE 18 3HG2 ILE 18 -2.213 3.660 6.165 129 HD11 ILE 18 1HD1 ILE 18 0.410 4.362 7.355 130 HD12 ILE 18 2HD1 ILE 18 0.929 6.040 7.515 131 HD13 ILE 18 3HD1 ILE 18 1.601 5.032 6.236 132 H CYS 19 HN CYS 19 0.543 1.776 3.807 133 HA CYS 19 HA CYS 19 -0.261 1.423 1.058 134 HB2 CYS 19 2HB CYS 19 0.229 -0.609 3.241 135 HB3 CYS 19 1HB CYS 19 0.020 -0.961 1.536 136 H VAL 20 HN VAL 20 -2.368 1.629 0.631 137 HA VAL 20 HA VAL 20 -4.296 0.445 2.508 138 HB VAL 20 HB VAL 20 -4.668 2.971 0.839 139 HG11 VAL 20 1HG1 VAL 20 -6.809 3.240 1.990 140 HG12 VAL 20 2HG1 VAL 20 -6.557 1.710 2.824 141 HG13 VAL 20 3HG1 VAL 20 -6.762 1.733 1.072 142 HG21 VAL 20 1HG2 VAL 20 -4.779 4.166 2.982 143 HG22 VAL 20 2HG2 VAL 20 -3.216 3.380 2.751 144 HG23 VAL 20 3HG2 VAL 20 -4.411 2.663 3.830 145 HA PRO 21 HA PRO 21 -5.512 -1.654 -1.290 146 HB2 PRO 21 2HB PRO 21 -7.654 -2.988 -0.322 147 HB3 PRO 21 1HB PRO 21 -6.003 -3.489 0.060 148 HG2 PRO 21 2HG PRO 21 -7.938 -1.927 1.719 149 HG3 PRO 21 1HG PRO 21 -6.822 -3.212 2.209 150 HD2 PRO 21 2HD PRO 21 -6.329 -0.543 2.571 151 HD3 PRO 21 1HD PRO 21 -5.054 -1.768 2.407 152 H MET 22 HN MET 22 -7.342 -1.494 -2.776 153 HA MET 22 HA MET 22 -8.766 0.902 -2.340 154 HB2 MET 22 2HB MET 22 -7.688 0.454 -4.529 155 HB3 MET 22 1HB MET 22 -8.799 -0.905 -4.726 156 HG2 MET 22 2HG MET 22 -9.439 1.112 -6.011 157 HG3 MET 22 1HG MET 22 -10.673 0.551 -4.880 158 HE1 MET 22 1HE MET 22 -10.525 3.473 -6.275 159 HE2 MET 22 2HE MET 22 -11.034 4.480 -4.919 160 HE3 MET 22 3HE MET 22 -11.845 2.946 -5.230 161 H ILE 23 HN ILE 23 -11.043 0.954 -2.610 162 HA ILE 23 HA ILE 23 -12.272 -1.504 -1.614 163 HB ILE 23 HB ILE 23 -12.348 0.222 0.062 164 HG12 ILE 23 2HG1 ILE 23 -14.825 0.482 0.447 165 HG13 ILE 23 1HG1 ILE 23 -15.081 -0.202 -1.153 166 HG21 ILE 23 1HG2 ILE 23 -12.082 2.194 -1.248 167 HG22 ILE 23 2HG2 ILE 23 -13.472 2.363 -0.181 168 HG23 ILE 23 3HG2 ILE 23 -13.715 2.027 -1.897 169 HD11 ILE 23 1HD1 ILE 23 -14.003 -2.269 -0.442 170 HD12 ILE 23 2HD1 ILE 23 -15.379 -1.866 0.586 171 HD13 ILE 23 3HD1 ILE 23 -13.737 -1.579 1.158 172 HN1 NH2 24 HN1 NH2 24 -12.822 -2.427 -3.503 173 HN2 NH2 24 HN2 NH2 24 -13.972 -1.781 -4.620 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 4.214 4.769 -3.545 2 H2 ALA 1 2HT ALA 1 4.417 3.103 -3.604 3 H3 ALA 1 3HT ALA 1 5.415 4.101 -4.524 4 HA ALA 1 HA ALA 1 6.542 3.255 -2.602 5 HB1 ALA 1 1HB ALA 1 5.987 6.212 -2.416 6 HB2 ALA 1 2HB ALA 1 7.156 5.455 -3.498 7 HB3 ALA 1 3HB ALA 1 7.384 5.364 -1.750 8 H CYS 2 HN CYS 2 5.193 1.946 -1.321 9 HA CYS 2 HA CYS 2 3.775 3.245 0.853 10 HB2 CYS 2 2HB CYS 2 4.200 0.347 0.084 11 HB3 CYS 2 1HB CYS 2 3.475 0.805 1.607 12 H LYS 3 HN LYS 3 4.475 3.079 3.004 13 HA LYS 3 HA LYS 3 7.217 3.464 3.430 14 HB2 LYS 3 2HB LYS 3 5.138 2.619 5.441 15 HB3 LYS 3 1HB LYS 3 6.708 3.304 5.832 16 HG2 LYS 3 2HG LYS 3 6.086 5.385 4.749 17 HG3 LYS 3 1HG LYS 3 4.533 4.698 4.294 18 HD2 LYS 3 2HD LYS 3 5.468 5.047 7.147 19 HD3 LYS 3 1HD LYS 3 4.483 6.220 6.287 20 HE2 LYS 3 2HE LYS 3 2.944 4.986 7.581 21 HE3 LYS 3 1HE LYS 3 2.801 4.321 5.967 22 HZ1 LYS 3 1HZ LYS 3 2.818 2.673 7.782 23 HZ2 LYS 3 2HZ LYS 3 4.420 3.044 8.118 24 HZ3 LYS 3 3HZ LYS 3 3.994 2.351 6.655 25 H GLU 4 HN GLU 4 5.268 0.664 4.474 26 HA GLU 4 HA GLU 4 7.732 -0.822 4.370 27 HB2 GLU 4 2HB GLU 4 6.623 -2.479 5.713 28 HB3 GLU 4 1HB GLU 4 6.961 -0.952 6.525 29 HG2 GLU 4 2HG GLU 4 4.221 -1.763 5.457 30 HG3 GLU 4 1HG GLU 4 4.709 -2.019 7.124 31 H TYR 5 HN TYR 5 7.701 -1.096 2.403 32 HA TYR 5 HA TYR 5 5.565 -2.060 0.756 33 HB2 TYR 5 2HB TYR 5 7.546 -0.855 -0.134 34 HB3 TYR 5 1HB TYR 5 8.502 -2.287 0.159 35 HD1 TYR 5 1HD TYR 5 8.850 -3.772 -1.596 36 HD2 TYR 5 2HD TYR 5 5.339 -1.364 -1.623 37 HE1 TYR 5 1HE TYR 5 8.234 -4.702 -3.774 38 HE2 TYR 5 2HE TYR 5 4.716 -2.286 -3.802 39 HH TYR 5 HH TYR 5 6.244 -5.016 -5.143 40 H TRP 6 HN TRP 6 8.285 -3.586 2.141 41 HA TRP 6 HA TRP 6 7.868 -6.207 1.120 42 HB2 TRP 6 2HB TRP 6 9.533 -6.959 2.749 43 HB3 TRP 6 1HB TRP 6 10.054 -5.453 2.004 44 HD1 TRP 6 1HD TRP 6 9.147 -6.981 5.345 45 HE1 TRP 6 1HE TRP 6 9.569 -5.286 7.218 46 HE3 TRP 6 3HE TRP 6 10.092 -2.825 2.494 47 HZ2 TRP 6 2HZ TRP 6 10.206 -2.555 7.467 48 HZ3 TRP 6 3HZ TRP 6 10.596 -0.714 3.642 49 HH2 TRP 6 2HH TRP 6 10.655 -0.585 6.078 50 H GLU 7 HN GLU 7 6.501 -4.505 3.763 51 HA GLU 7 HA GLU 7 5.565 -6.845 5.150 52 HB2 GLU 7 2HB GLU 7 6.273 -4.866 6.398 53 HB3 GLU 7 1HB GLU 7 5.053 -3.913 5.574 54 HG2 GLU 7 2HG GLU 7 4.336 -4.435 7.807 55 HG3 GLU 7 1HG GLU 7 3.307 -5.245 6.631 56 H CYS 8 HN CYS 8 4.179 -4.170 3.445 57 HA CYS 8 HA CYS 8 1.518 -5.115 3.604 58 HB2 CYS 8 2HB CYS 8 2.690 -3.086 1.717 59 HB3 CYS 8 1HB CYS 8 0.996 -3.280 2.152 60 H GLY 9 HN GLY 9 3.963 -5.200 1.082 61 HA2 GLY 9 2HA GLY 9 4.171 -6.731 -0.639 62 HA3 GLY 9 1HA GLY 9 2.641 -7.445 -0.150 63 H ALA 10 HN ALA 10 3.415 -6.958 -2.789 64 HA ALA 10 HA ALA 10 2.099 -4.621 -3.753 65 HB1 ALA 10 1HB ALA 10 3.031 -7.075 -5.250 66 HB2 ALA 10 2HB ALA 10 3.980 -5.614 -4.978 67 HB3 ALA 10 3HB ALA 10 2.529 -5.549 -5.978 68 H PHE 11 HN PHE 11 0.085 -4.572 -3.176 69 HA PHE 11 HA PHE 11 -1.934 -5.735 -4.660 70 HB2 PHE 11 2HB PHE 11 -1.466 -7.821 -3.335 71 HB3 PHE 11 1HB PHE 11 -1.771 -6.920 -1.853 72 HD1 PHE 11 1HD PHE 11 -3.902 -6.986 -0.940 73 HD2 PHE 11 2HD PHE 11 -3.417 -7.783 -5.091 74 HE1 PHE 11 1HE PHE 11 -6.297 -7.517 -1.119 75 HE2 PHE 11 2HE PHE 11 -5.812 -8.313 -5.269 76 HZ PHE 11 HZ PHE 11 -7.252 -8.178 -3.284 77 H LEU 12 HN LEU 12 -0.824 -4.321 -1.691 78 HA LEU 12 HA LEU 12 -3.251 -2.834 -1.258 79 HB2 LEU 12 2HB LEU 12 -0.522 -2.720 0.038 80 HB3 LEU 12 1HB LEU 12 -1.798 -1.596 0.433 81 HG LEU 12 HG LEU 12 -1.632 -3.265 2.139 82 HD11 LEU 12 1HD1 LEU 12 -3.900 -4.124 2.195 83 HD12 LEU 12 2HD1 LEU 12 -4.096 -3.718 0.493 84 HD13 LEU 12 3HD1 LEU 12 -3.841 -2.438 1.679 85 HD21 LEU 12 1HD2 LEU 12 -2.050 -5.642 1.724 86 HD22 LEU 12 2HD2 LEU 12 -0.612 -5.077 0.875 87 HD23 LEU 12 3HD2 LEU 12 -2.117 -5.324 -0.009 88 H PHE 13 HN PHE 13 -3.432 -0.608 -1.471 89 HA PHE 13 HA PHE 13 -1.815 0.482 -3.622 90 HB2 PHE 13 2HB PHE 13 -4.405 1.410 -2.347 91 HB3 PHE 13 1HB PHE 13 -3.595 2.228 -3.674 92 HD1 PHE 13 1HD PHE 13 -5.395 -0.852 -2.702 93 HD2 PHE 13 2HD PHE 13 -3.859 1.483 -5.910 94 HE1 PHE 13 1HE PHE 13 -6.652 -2.232 -4.314 95 HE2 PHE 13 2HE PHE 13 -5.109 0.117 -7.510 96 HZ PHE 13 HZ PHE 13 -6.510 -1.745 -6.715 97 H CYS 14 HN CYS 14 -0.753 2.460 -3.335 98 HA CYS 14 HA CYS 14 -0.260 3.081 -0.529 99 HB2 CYS 14 2HB CYS 14 1.276 4.048 -2.900 100 HB3 CYS 14 1HB CYS 14 1.731 4.159 -1.217 101 H ILE 15 HN ILE 15 -1.165 4.734 0.202 102 HA ILE 15 HA ILE 15 -1.693 7.053 -1.464 103 HB ILE 15 HB ILE 15 -3.641 5.892 0.558 104 HG12 ILE 15 2HG1 ILE 15 -3.925 6.211 -2.450 105 HG13 ILE 15 1HG1 ILE 15 -3.705 4.689 -1.599 106 HG21 ILE 15 1HG2 ILE 15 -3.853 8.406 -1.106 107 HG22 ILE 15 2HG2 ILE 15 -3.622 8.328 0.641 108 HG23 ILE 15 3HG2 ILE 15 -5.131 7.761 -0.076 109 HD11 ILE 15 1HD1 ILE 15 -6.016 5.011 -2.290 110 HD12 ILE 15 2HD1 ILE 15 -6.091 6.515 -1.369 111 HD13 ILE 15 3HD1 ILE 15 -5.886 4.977 -0.532 112 H GLU 16 HN GLU 16 -0.511 8.455 -0.662 113 HA GLU 16 HA GLU 16 0.707 9.807 0.642 114 HB2 GLU 16 2HB GLU 16 -1.225 8.790 2.642 115 HB3 GLU 16 1HB GLU 16 -0.009 10.036 3.009 116 HG2 GLU 16 2HG GLU 16 -2.251 10.220 0.992 117 HG3 GLU 16 1HG GLU 16 -2.204 11.032 2.557 118 H GLY 17 HN GLY 17 1.291 6.941 0.300 119 HA2 GLY 17 2HA GLY 17 3.263 5.768 0.805 120 HA3 GLY 17 1HA GLY 17 3.474 6.786 2.224 121 H ILE 18 HN ILE 18 0.393 5.973 2.409 122 HA ILE 18 HA ILE 18 0.908 3.908 4.387 123 HB ILE 18 HB ILE 18 -1.748 5.172 3.655 124 HG12 ILE 18 2HG1 ILE 18 -0.204 6.995 4.277 125 HG13 ILE 18 1HG1 ILE 18 -1.455 6.783 5.490 126 HG21 ILE 18 1HG2 ILE 18 -2.409 4.543 5.937 127 HG22 ILE 18 2HG2 ILE 18 -0.824 3.815 6.183 128 HG23 ILE 18 3HG2 ILE 18 -1.921 3.145 4.976 129 HD11 ILE 18 1HD1 ILE 18 0.161 5.583 6.902 130 HD12 ILE 18 2HD1 ILE 18 0.677 7.225 6.517 131 HD13 ILE 18 3HD1 ILE 18 1.401 5.857 5.675 132 H CYS 19 HN CYS 19 0.310 1.813 4.063 133 HA CYS 19 HA CYS 19 -0.548 0.933 1.444 134 HB2 CYS 19 2HB CYS 19 -0.365 -0.712 3.952 135 HB3 CYS 19 1HB CYS 19 -0.270 -1.259 2.292 136 H VAL 20 HN VAL 20 -2.723 1.196 1.011 137 HA VAL 20 HA VAL 20 -4.554 0.187 3.047 138 HB VAL 20 HB VAL 20 -6.227 1.960 2.417 139 HG11 VAL 20 1HG1 VAL 20 -3.663 2.972 3.621 140 HG12 VAL 20 2HG1 VAL 20 -4.948 2.123 4.477 141 HG13 VAL 20 3HG1 VAL 20 -5.253 3.718 3.786 142 HG21 VAL 20 1HG2 VAL 20 -5.286 2.643 0.284 143 HG22 VAL 20 2HG2 VAL 20 -3.838 3.240 1.094 144 HG23 VAL 20 3HG2 VAL 20 -5.394 4.022 1.379 145 HA PRO 21 HA PRO 21 -6.508 -1.733 -0.520 146 HB2 PRO 21 2HB PRO 21 -9.024 -1.852 0.951 147 HB3 PRO 21 1HB PRO 21 -7.958 -3.188 0.519 148 HG2 PRO 21 2HG PRO 21 -8.324 -2.355 3.084 149 HG3 PRO 21 1HG PRO 21 -6.823 -3.099 2.512 150 HD2 PRO 21 2HD PRO 21 -7.454 -0.211 2.965 151 HD3 PRO 21 1HD PRO 21 -5.971 -1.125 3.328 152 H MET 22 HN MET 22 -7.902 -0.946 -2.176 153 HA MET 22 HA MET 22 -8.636 1.738 -1.737 154 HB2 MET 22 2HB MET 22 -7.488 1.073 -3.845 155 HB3 MET 22 1HB MET 22 -8.948 0.152 -4.247 156 HG2 MET 22 2HG MET 22 -10.245 2.226 -4.276 157 HG3 MET 22 1HG MET 22 -8.782 3.139 -3.927 158 HE1 MET 22 1HE MET 22 -9.522 0.824 -7.855 159 HE2 MET 22 2HE MET 22 -10.682 0.912 -6.531 160 HE3 MET 22 3HE MET 22 -9.173 0.022 -6.327 161 H ILE 23 HN ILE 23 -10.691 2.496 -2.068 162 HA ILE 23 HA ILE 23 -12.840 0.569 -2.295 163 HB ILE 23 HB ILE 23 -12.659 1.094 0.020 164 HG12 ILE 23 2HG1 ILE 23 -15.035 2.554 -1.169 165 HG13 ILE 23 1HG1 ILE 23 -14.940 0.831 -0.836 166 HG21 ILE 23 1HG2 ILE 23 -12.787 4.009 -0.671 167 HG22 ILE 23 2HG2 ILE 23 -11.445 3.126 0.061 168 HG23 ILE 23 3HG2 ILE 23 -12.941 3.364 0.963 169 HD11 ILE 23 1HD1 ILE 23 -16.265 1.977 0.842 170 HD12 ILE 23 2HD1 ILE 23 -14.907 3.041 1.210 171 HD13 ILE 23 3HD1 ILE 23 -14.796 1.317 1.562 172 HN1 NH2 24 HN1 NH2 24 -13.362 1.027 -4.340 173 HN2 NH2 24 HN2 NH2 24 -13.789 2.581 -4.948 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 7.577 6.546 -1.987 2 H2 ALA 1 2HT ALA 1 6.965 7.306 -3.347 3 H3 ALA 1 3HT ALA 1 6.865 5.639 -3.200 4 HA ALA 1 HA ALA 1 5.535 7.620 -1.457 5 HB1 ALA 1 1HB ALA 1 4.300 5.801 -3.523 6 HB2 ALA 1 2HB ALA 1 4.553 7.534 -3.709 7 HB3 ALA 1 3HB ALA 1 3.446 6.931 -2.476 8 H CYS 2 HN CYS 2 5.354 4.174 -2.454 9 HA CYS 2 HA CYS 2 4.327 3.460 0.118 10 HB2 CYS 2 2HB CYS 2 5.269 1.716 -2.124 11 HB3 CYS 2 1HB CYS 2 4.203 1.253 -0.808 12 H LYS 3 HN LYS 3 5.480 2.894 1.747 13 HA LYS 3 HA LYS 3 8.359 3.036 1.656 14 HB2 LYS 3 2HB LYS 3 6.616 2.237 3.989 15 HB3 LYS 3 1HB LYS 3 8.256 2.839 4.032 16 HG2 LYS 3 2HG LYS 3 5.936 4.478 3.044 17 HG3 LYS 3 1HG LYS 3 6.463 4.460 4.720 18 HD2 LYS 3 2HD LYS 3 8.177 5.268 2.365 19 HD3 LYS 3 1HD LYS 3 7.337 6.389 3.434 20 HE2 LYS 3 2HE LYS 3 9.566 4.487 4.154 21 HE3 LYS 3 1HE LYS 3 9.623 6.246 4.136 22 HZ1 LYS 3 1HZ LYS 3 7.943 6.214 5.972 23 HZ2 LYS 3 2HZ LYS 3 9.394 5.481 6.370 24 HZ3 LYS 3 3HZ LYS 3 8.077 4.536 6.012 25 H GLU 4 HN GLU 4 5.983 0.596 2.692 26 HA GLU 4 HA GLU 4 7.972 -1.513 2.263 27 HB2 GLU 4 2HB GLU 4 5.537 -1.580 4.027 28 HB3 GLU 4 1HB GLU 4 6.868 -2.717 3.981 29 HG2 GLU 4 2HG GLU 4 6.895 0.087 5.083 30 HG3 GLU 4 1HG GLU 4 6.973 -1.420 5.987 31 H TYR 5 HN TYR 5 7.208 -3.154 0.892 32 HA TYR 5 HA TYR 5 4.512 -2.790 -0.166 33 HB2 TYR 5 2HB TYR 5 6.466 -3.272 -1.701 34 HB3 TYR 5 1HB TYR 5 6.571 -4.853 -0.952 35 HD1 TYR 5 1HD TYR 5 4.107 -2.700 -2.765 36 HD2 TYR 5 2HD TYR 5 5.440 -6.648 -1.914 37 HE1 TYR 5 1HE TYR 5 2.484 -3.588 -4.359 38 HE2 TYR 5 2HE TYR 5 3.824 -7.544 -3.495 39 HH TYR 5 HH TYR 5 1.840 -6.990 -4.588 40 H TRP 6 HN TRP 6 6.460 -5.174 1.342 41 HA TRP 6 HA TRP 6 4.788 -7.332 1.683 42 HB2 TRP 6 2HB TRP 6 6.222 -8.010 3.596 43 HB3 TRP 6 1HB TRP 6 7.160 -7.473 2.210 44 HD1 TRP 6 1HD TRP 6 8.199 -4.889 2.435 45 HE1 TRP 6 1HE TRP 6 9.018 -3.627 4.534 46 HE3 TRP 6 3HE TRP 6 6.022 -7.778 6.032 47 HZ2 TRP 6 2HZ TRP 6 8.811 -3.857 7.308 48 HZ3 TRP 6 3HZ TRP 6 6.395 -7.195 8.383 49 HH2 TRP 6 2HH TRP 6 7.762 -5.274 9.010 50 H GLU 7 HN GLU 7 5.036 -4.589 3.906 51 HA GLU 7 HA GLU 7 3.241 -5.561 5.896 52 HB2 GLU 7 2HB GLU 7 4.937 -3.889 6.401 53 HB3 GLU 7 1HB GLU 7 4.251 -2.791 5.224 54 HG2 GLU 7 2HG GLU 7 3.689 -2.011 7.409 55 HG3 GLU 7 1HG GLU 7 2.223 -2.612 6.646 56 H CYS 8 HN CYS 8 2.851 -3.981 2.926 57 HA CYS 8 HA CYS 8 0.240 -2.972 3.582 58 HB2 CYS 8 2HB CYS 8 1.925 -2.670 1.127 59 HB3 CYS 8 1HB CYS 8 0.438 -1.804 1.524 60 H GLY 9 HN GLY 9 1.754 -5.404 1.585 61 HA2 GLY 9 2HA GLY 9 0.458 -7.463 1.369 62 HA3 GLY 9 1HA GLY 9 -0.950 -6.453 1.075 63 H ALA 10 HN ALA 10 -1.440 -7.286 -0.902 64 HA ALA 10 HA ALA 10 0.565 -6.934 -3.005 65 HB1 ALA 10 1HB ALA 10 -1.813 -8.781 -2.907 66 HB2 ALA 10 2HB ALA 10 -0.129 -9.260 -2.688 67 HB3 ALA 10 3HB ALA 10 -0.676 -8.641 -4.246 68 H PHE 11 HN PHE 11 0.185 -5.357 -4.351 69 HA PHE 11 HA PHE 11 -0.694 -3.637 -5.423 70 HB2 PHE 11 2HB PHE 11 -1.964 -5.407 -6.648 71 HB3 PHE 11 1HB PHE 11 -3.289 -5.210 -5.506 72 HD1 PHE 11 1HD PHE 11 -1.317 -3.447 -8.097 73 HD2 PHE 11 2HD PHE 11 -4.903 -3.514 -5.821 74 HE1 PHE 11 1HE PHE 11 -2.242 -1.642 -9.493 75 HE2 PHE 11 2HE PHE 11 -5.828 -1.714 -7.216 76 HZ PHE 11 HZ PHE 11 -4.495 -0.778 -9.050 77 H LEU 12 HN LEU 12 -0.697 -1.930 -4.267 78 HA LEU 12 HA LEU 12 -2.995 -1.397 -2.617 79 HB2 LEU 12 2HB LEU 12 -1.409 -0.395 -0.859 80 HB3 LEU 12 1HB LEU 12 -1.692 -2.110 -0.865 81 HG LEU 12 HG LEU 12 0.653 -1.409 -0.337 82 HD11 LEU 12 1HD1 LEU 12 0.233 -3.651 -1.013 83 HD12 LEU 12 2HD1 LEU 12 1.766 -3.094 -1.684 84 HD13 LEU 12 3HD1 LEU 12 0.337 -3.194 -2.712 85 HD21 LEU 12 1HD2 LEU 12 0.944 0.434 -1.881 86 HD22 LEU 12 2HD2 LEU 12 0.773 -0.660 -3.250 87 HD23 LEU 12 3HD2 LEU 12 2.166 -0.804 -2.175 88 H PHE 13 HN PHE 13 -3.139 0.788 -1.896 89 HA PHE 13 HA PHE 13 -2.035 2.680 -3.856 90 HB2 PHE 13 2HB PHE 13 -4.463 3.064 -2.066 91 HB3 PHE 13 1HB PHE 13 -4.003 4.010 -3.473 92 HD1 PHE 13 1HD PHE 13 -4.253 3.007 -5.759 93 HD2 PHE 13 2HD PHE 13 -5.824 1.140 -2.268 94 HE1 PHE 13 1HE PHE 13 -5.744 1.631 -7.156 95 HE2 PHE 13 2HE PHE 13 -7.307 -0.228 -3.654 96 HZ PHE 13 HZ PHE 13 -7.271 0.010 -6.106 97 H CYS 14 HN CYS 14 -0.985 4.500 -2.850 98 HA CYS 14 HA CYS 14 -0.711 4.085 0.016 99 HB2 CYS 14 2HB CYS 14 1.478 4.923 -1.865 100 HB3 CYS 14 1HB CYS 14 1.617 4.871 -0.112 101 H ILE 15 HN ILE 15 -0.654 5.633 1.393 102 HA ILE 15 HA ILE 15 -1.058 8.323 0.472 103 HB ILE 15 HB ILE 15 -3.279 7.682 0.801 104 HG12 ILE 15 2HG1 ILE 15 -2.365 8.957 3.389 105 HG13 ILE 15 1HG1 ILE 15 -2.768 9.792 1.899 106 HG21 ILE 15 1HG2 ILE 15 -4.161 6.482 2.782 107 HG22 ILE 15 2HG2 ILE 15 -2.496 6.232 3.318 108 HG23 ILE 15 3HG2 ILE 15 -3.045 5.533 1.801 109 HD11 ILE 15 1HD1 ILE 15 -4.555 9.988 3.523 110 HD12 ILE 15 2HD1 ILE 15 -4.660 8.229 3.628 111 HD13 ILE 15 3HD1 ILE 15 -5.078 9.047 2.124 112 H GLU 16 HN GLU 16 0.602 9.233 1.200 113 HA GLU 16 HA GLU 16 2.153 10.172 2.501 114 HB2 GLU 16 2HB GLU 16 0.223 9.302 4.560 115 HB3 GLU 16 1HB GLU 16 1.621 10.344 4.905 116 HG2 GLU 16 2HG GLU 16 -0.707 10.952 3.075 117 HG3 GLU 16 1HG GLU 16 -0.414 11.681 4.654 118 H GLY 17 HN GLY 17 2.264 7.329 1.862 119 HA2 GLY 17 2HA GLY 17 4.231 6.002 2.116 120 HA3 GLY 17 1HA GLY 17 4.400 6.629 3.752 121 H ILE 18 HN ILE 18 1.370 6.187 3.873 122 HA ILE 18 HA ILE 18 1.597 3.507 4.956 123 HB ILE 18 HB ILE 18 -0.594 5.600 5.204 124 HG12 ILE 18 2HG1 ILE 18 1.570 4.823 7.179 125 HG13 ILE 18 1HG1 ILE 18 1.529 6.307 6.243 126 HG21 ILE 18 1HG2 ILE 18 -0.175 3.023 6.721 127 HG22 ILE 18 2HG2 ILE 18 -1.427 3.322 5.517 128 HG23 ILE 18 3HG2 ILE 18 -1.440 4.208 7.045 129 HD11 ILE 18 1HD1 ILE 18 -0.485 7.006 7.424 130 HD12 ILE 18 2HD1 ILE 18 0.827 6.661 8.550 131 HD13 ILE 18 3HD1 ILE 18 -0.479 5.496 8.335 132 H CYS 19 HN CYS 19 0.531 1.856 3.945 133 HA CYS 19 HA CYS 19 -0.672 2.545 1.374 134 HB2 CYS 19 2HB CYS 19 -0.224 -0.188 2.373 135 HB3 CYS 19 1HB CYS 19 -0.203 0.415 0.718 136 H VAL 20 HN VAL 20 -2.678 1.878 0.808 137 HA VAL 20 HA VAL 20 -4.212 0.368 2.755 138 HB VAL 20 HB VAL 20 -6.293 1.395 1.753 139 HG11 VAL 20 1HG1 VAL 20 -6.091 3.587 2.852 140 HG12 VAL 20 2HG1 VAL 20 -4.346 3.348 2.968 141 HG13 VAL 20 3HG1 VAL 20 -5.446 2.272 3.831 142 HG21 VAL 20 1HG2 VAL 20 -5.376 2.092 -0.398 143 HG22 VAL 20 2HG2 VAL 20 -4.358 3.289 0.407 144 HG23 VAL 20 3HG2 VAL 20 -6.116 3.454 0.441 145 HA PRO 21 HA PRO 21 -3.729 -2.600 -0.492 146 HB2 PRO 21 2HB PRO 21 -5.334 -4.542 0.539 147 HB3 PRO 21 1HB PRO 21 -3.699 -4.220 1.126 148 HG2 PRO 21 2HG PRO 21 -6.324 -3.345 2.259 149 HG3 PRO 21 1HG PRO 21 -4.885 -3.947 3.101 150 HD2 PRO 21 2HD PRO 21 -5.492 -1.321 2.971 151 HD3 PRO 21 1HD PRO 21 -3.818 -1.907 3.005 152 H MET 22 HN MET 22 -4.964 -3.806 -2.025 153 HA MET 22 HA MET 22 -6.872 -2.446 -3.399 154 HB2 MET 22 2HB MET 22 -5.399 -4.398 -4.124 155 HB3 MET 22 1HB MET 22 -6.608 -5.396 -3.324 156 HG2 MET 22 2HG MET 22 -7.455 -3.574 -5.526 157 HG3 MET 22 1HG MET 22 -6.686 -5.104 -5.910 158 HE1 MET 22 1HE MET 22 -7.795 -7.049 -3.628 159 HE2 MET 22 2HE MET 22 -7.729 -7.472 -5.337 160 HE3 MET 22 3HE MET 22 -9.224 -7.696 -4.431 161 H ILE 23 HN ILE 23 -8.977 -2.629 -3.579 162 HA ILE 23 HA ILE 23 -10.424 -3.645 -1.214 163 HB ILE 23 HB ILE 23 -11.337 -1.423 -3.075 164 HG12 ILE 23 2HG1 ILE 23 -10.153 -1.201 -0.298 165 HG13 ILE 23 1HG1 ILE 23 -9.300 -0.794 -1.783 166 HG21 ILE 23 1HG2 ILE 23 -13.152 -2.602 -1.950 167 HG22 ILE 23 2HG2 ILE 23 -12.974 -0.970 -1.298 168 HG23 ILE 23 3HG2 ILE 23 -12.365 -2.353 -0.391 169 HD11 ILE 23 1HD1 ILE 23 -10.946 0.968 -2.219 170 HD12 ILE 23 2HD1 ILE 23 -10.119 1.194 -0.681 171 HD13 ILE 23 3HD1 ILE 23 -11.766 0.563 -0.710 172 HN1 NH2 24 HN1 NH2 24 -11.025 -5.593 -1.877 173 HN2 NH2 24 HN2 NH2 24 -11.932 -5.960 -3.301 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 6.940 7.978 -1.853 2 H2 ALA 1 2HT ALA 1 7.687 7.352 -0.463 3 H3 ALA 1 3HT ALA 1 6.012 7.393 -0.574 4 HA ALA 1 HA ALA 1 6.023 5.805 -2.319 5 HB1 ALA 1 1HB ALA 1 9.015 5.790 -1.917 6 HB2 ALA 1 2HB ALA 1 8.169 6.433 -3.325 7 HB3 ALA 1 3HB ALA 1 8.103 4.708 -2.968 8 H CYS 2 HN CYS 2 5.996 3.559 -1.794 9 HA CYS 2 HA CYS 2 5.819 3.052 1.004 10 HB2 CYS 2 2HB CYS 2 5.941 1.002 -1.180 11 HB3 CYS 2 1HB CYS 2 5.118 0.878 0.362 12 H LYS 3 HN LYS 3 7.497 2.489 2.248 13 HA LYS 3 HA LYS 3 10.042 1.902 0.982 14 HB2 LYS 3 2HB LYS 3 9.348 2.069 3.923 15 HB3 LYS 3 1HB LYS 3 10.973 1.910 3.269 16 HG2 LYS 3 2HG LYS 3 10.699 4.074 2.139 17 HG3 LYS 3 1HG LYS 3 9.106 4.225 2.863 18 HD2 LYS 3 2HD LYS 3 11.731 4.084 4.373 19 HD3 LYS 3 1HD LYS 3 10.811 5.545 4.059 20 HE2 LYS 3 2HE LYS 3 10.236 5.023 6.255 21 HE3 LYS 3 1HE LYS 3 8.901 4.353 5.332 22 HZ1 LYS 3 1HZ LYS 3 11.214 2.806 6.378 23 HZ2 LYS 3 2HZ LYS 3 9.887 2.090 5.636 24 HZ3 LYS 3 3HZ LYS 3 9.718 2.880 7.097 25 H GLU 4 HN GLU 4 7.986 0.378 3.399 26 HA GLU 4 HA GLU 4 9.032 -2.216 2.570 27 HB2 GLU 4 2HB GLU 4 7.447 -1.409 4.964 28 HB3 GLU 4 1HB GLU 4 7.832 -3.061 4.517 29 HG2 GLU 4 2HG GLU 4 9.306 -2.234 6.346 30 HG3 GLU 4 1HG GLU 4 10.198 -2.690 4.905 31 H TYR 5 HN TYR 5 7.919 -2.407 0.886 32 HA TYR 5 HA TYR 5 5.049 -1.952 0.670 33 HB2 TYR 5 2HB TYR 5 6.649 -1.602 -1.211 34 HB3 TYR 5 1HB TYR 5 6.879 -3.328 -1.282 35 HD1 TYR 5 1HD TYR 5 5.582 -4.613 -2.719 36 HD2 TYR 5 2HD TYR 5 4.140 -0.790 -1.517 37 HE1 TYR 5 1HE TYR 5 3.725 -4.821 -4.292 38 HE2 TYR 5 2HE TYR 5 2.281 -0.990 -3.079 39 HH TYR 5 HH TYR 5 1.744 -2.163 -5.115 40 H TRP 6 HN TRP 6 7.223 -4.573 0.785 41 HA TRP 6 HA TRP 6 5.611 -6.791 0.487 42 HB2 TRP 6 2HB TRP 6 7.251 -8.041 1.862 43 HB3 TRP 6 1HB TRP 6 8.004 -7.055 0.616 44 HD1 TRP 6 1HD TRP 6 9.431 -4.929 1.458 45 HE1 TRP 6 1HE TRP 6 10.517 -4.385 3.736 46 HE3 TRP 6 3HE TRP 6 6.999 -8.344 4.382 47 HZ2 TRP 6 2HZ TRP 6 10.367 -5.275 6.388 48 HZ3 TRP 6 3HZ TRP 6 7.538 -8.432 6.777 49 HH2 TRP 6 2HH TRP 6 9.190 -6.923 7.753 50 H GLU 7 HN GLU 7 5.923 -4.787 3.358 51 HA GLU 7 HA GLU 7 4.589 -6.609 5.102 52 HB2 GLU 7 2HB GLU 7 6.118 -4.887 5.982 53 HB3 GLU 7 1HB GLU 7 5.021 -3.630 5.421 54 HG2 GLU 7 2HG GLU 7 3.285 -4.503 6.928 55 HG3 GLU 7 1HG GLU 7 4.425 -5.704 7.517 56 H CYS 8 HN CYS 8 3.608 -4.105 3.006 57 HA CYS 8 HA CYS 8 0.915 -4.050 3.969 58 HB2 CYS 8 2HB CYS 8 2.237 -2.820 1.545 59 HB3 CYS 8 1HB CYS 8 0.596 -2.473 2.069 60 H GLY 9 HN GLY 9 2.716 -5.290 1.249 61 HA2 GLY 9 2HA GLY 9 2.166 -7.558 0.572 62 HA3 GLY 9 1HA GLY 9 0.473 -7.107 0.753 63 H ALA 10 HN ALA 10 1.485 -8.184 -1.554 64 HA ALA 10 HA ALA 10 2.209 -6.231 -3.456 65 HB1 ALA 10 1HB ALA 10 1.775 -7.967 -5.105 66 HB2 ALA 10 2HB ALA 10 0.958 -8.933 -3.878 67 HB3 ALA 10 3HB ALA 10 2.688 -8.619 -3.742 68 H PHE 11 HN PHE 11 1.010 -4.796 -4.429 69 HA PHE 11 HA PHE 11 -0.591 -3.759 -5.436 70 HB2 PHE 11 2HB PHE 11 -2.224 -6.267 -5.074 71 HB3 PHE 11 1HB PHE 11 -2.907 -4.808 -5.787 72 HD1 PHE 11 1HD PHE 11 -0.418 -7.488 -6.221 73 HD2 PHE 11 2HD PHE 11 -2.317 -4.117 -7.993 74 HE1 PHE 11 1HE PHE 11 0.522 -8.107 -8.407 75 HE2 PHE 11 2HE PHE 11 -1.384 -4.734 -10.176 76 HZ PHE 11 HZ PHE 11 0.039 -6.732 -10.387 77 H LEU 12 HN LEU 12 -0.299 -4.123 -2.346 78 HA LEU 12 HA LEU 12 -2.702 -2.588 -1.794 79 HB2 LEU 12 2HB LEU 12 -1.848 -4.390 -0.148 80 HB3 LEU 12 1HB LEU 12 -0.530 -3.287 0.203 81 HG LEU 12 HG LEU 12 -2.165 -1.592 0.973 82 HD11 LEU 12 1HD1 LEU 12 -4.477 -2.285 1.355 83 HD12 LEU 12 2HD1 LEU 12 -4.162 -3.784 0.481 84 HD13 LEU 12 3HD1 LEU 12 -4.062 -2.233 -0.353 85 HD21 LEU 12 1HD2 LEU 12 -1.176 -3.116 2.627 86 HD22 LEU 12 2HD2 LEU 12 -2.462 -4.275 2.312 87 HD23 LEU 12 3HD2 LEU 12 -2.844 -2.713 3.033 88 H PHE 13 HN PHE 13 -2.506 -0.639 -2.467 89 HA PHE 13 HA PHE 13 0.074 0.540 -2.950 90 HB2 PHE 13 2HB PHE 13 -1.674 0.579 -4.659 91 HB3 PHE 13 1HB PHE 13 -2.740 1.454 -3.580 92 HD1 PHE 13 1HD PHE 13 -2.964 3.701 -3.974 93 HD2 PHE 13 2HD PHE 13 0.697 1.796 -5.021 94 HE1 PHE 13 1HE PHE 13 -2.136 5.816 -4.911 95 HE2 PHE 13 2HE PHE 13 1.529 3.910 -5.958 96 HZ PHE 13 HZ PHE 13 0.111 5.922 -5.906 97 H CYS 14 HN CYS 14 0.666 2.644 -2.233 98 HA CYS 14 HA CYS 14 -0.396 3.268 0.410 99 HB2 CYS 14 2HB CYS 14 2.073 4.323 -0.937 100 HB3 CYS 14 1HB CYS 14 1.628 4.528 0.743 101 H ILE 15 HN ILE 15 -1.495 4.988 0.691 102 HA ILE 15 HA ILE 15 -1.598 7.041 -1.363 103 HB ILE 15 HB ILE 15 -3.926 6.088 0.327 104 HG12 ILE 15 2HG1 ILE 15 -3.433 5.641 -2.634 105 HG13 ILE 15 1HG1 ILE 15 -3.352 4.402 -1.389 106 HG21 ILE 15 1HG2 ILE 15 -5.270 7.568 -1.105 107 HG22 ILE 15 2HG2 ILE 15 -3.808 8.059 -1.959 108 HG23 ILE 15 3HG2 ILE 15 -4.007 8.461 -0.254 109 HD11 ILE 15 1HD1 ILE 15 -5.755 4.711 -0.960 110 HD12 ILE 15 2HD1 ILE 15 -5.427 4.255 -2.632 111 HD13 ILE 15 3HD1 ILE 15 -5.809 5.930 -2.232 112 H GLU 16 HN GLU 16 -0.660 8.626 -0.457 113 HA GLU 16 HA GLU 16 -0.017 10.279 0.865 114 HB2 GLU 16 2HB GLU 16 -2.534 10.345 1.273 115 HB3 GLU 16 1HB GLU 16 -2.182 9.470 2.760 116 HG2 GLU 16 2HG GLU 16 -0.664 11.241 3.390 117 HG3 GLU 16 1HG GLU 16 -1.160 12.112 1.937 118 H GLY 17 HN GLY 17 0.775 7.478 1.173 119 HA2 GLY 17 2HA GLY 17 2.797 6.868 2.336 120 HA3 GLY 17 1HA GLY 17 2.238 7.827 3.698 121 H ILE 18 HN ILE 18 -0.481 6.512 3.212 122 HA ILE 18 HA ILE 18 0.071 4.242 4.990 123 HB ILE 18 HB ILE 18 -2.562 5.576 4.259 124 HG12 ILE 18 2HG1 ILE 18 -1.145 7.136 5.478 125 HG13 ILE 18 1HG1 ILE 18 -2.476 6.608 6.501 126 HG21 ILE 18 1HG2 ILE 18 -3.518 4.400 6.181 127 HG22 ILE 18 2HG2 ILE 18 -1.974 3.601 6.460 128 HG23 ILE 18 3HG2 ILE 18 -2.883 3.268 4.985 129 HD11 ILE 18 1HD1 ILE 18 -0.409 6.737 7.752 130 HD12 ILE 18 2HD1 ILE 18 0.369 5.632 6.625 131 HD13 ILE 18 3HD1 ILE 18 -0.956 5.064 7.643 132 H CYS 19 HN CYS 19 -0.420 2.120 4.356 133 HA CYS 19 HA CYS 19 -0.974 1.728 1.553 134 HB2 CYS 19 2HB CYS 19 -0.643 -0.300 3.798 135 HB3 CYS 19 1HB CYS 19 -0.663 -0.655 2.076 136 H VAL 20 HN VAL 20 -2.966 1.866 0.874 137 HA VAL 20 HA VAL 20 -5.151 1.351 2.768 138 HB VAL 20 HB VAL 20 -5.082 3.272 0.424 139 HG11 VAL 20 1HG1 VAL 20 -7.260 4.070 1.225 140 HG12 VAL 20 2HG1 VAL 20 -7.264 2.806 2.453 141 HG13 VAL 20 3HG1 VAL 20 -7.324 2.372 0.746 142 HG21 VAL 20 1HG2 VAL 20 -3.749 4.086 2.287 143 HG22 VAL 20 2HG2 VAL 20 -5.098 3.824 3.391 144 HG23 VAL 20 3HG2 VAL 20 -5.222 5.045 2.127 145 HA PRO 21 HA PRO 21 -6.305 -1.720 -0.283 146 HB2 PRO 21 2HB PRO 21 -8.427 -2.730 1.052 147 HB3 PRO 21 1HB PRO 21 -6.767 -3.121 1.502 148 HG2 PRO 21 2HG PRO 21 -8.655 -1.178 2.759 149 HG3 PRO 21 1HG PRO 21 -7.498 -2.273 3.531 150 HD2 PRO 21 2HD PRO 21 -7.052 0.403 3.126 151 HD3 PRO 21 1HD PRO 21 -5.761 -0.805 3.275 152 H MET 22 HN MET 22 -7.611 -1.462 -2.067 153 HA MET 22 HA MET 22 -9.266 0.702 -2.259 154 HB2 MET 22 2HB MET 22 -9.529 -0.021 -4.480 155 HB3 MET 22 1HB MET 22 -7.890 -0.388 -4.031 156 HG2 MET 22 2HG MET 22 -8.498 -2.279 -5.215 157 HG3 MET 22 1HG MET 22 -8.802 -2.771 -3.551 158 HE1 MET 22 1HE MET 22 -10.383 -4.710 -4.151 159 HE2 MET 22 2HE MET 22 -10.030 -4.425 -5.859 160 HE3 MET 22 3HE MET 22 -11.706 -4.604 -5.313 161 H ILE 23 HN ILE 23 -11.588 0.530 -2.851 162 HA ILE 23 HA ILE 23 -12.930 -1.191 -0.932 163 HB ILE 23 HB ILE 23 -14.114 0.993 -2.683 164 HG12 ILE 23 2HG1 ILE 23 -13.287 1.099 0.235 165 HG13 ILE 23 1HG1 ILE 23 -12.390 1.826 -1.091 166 HG21 ILE 23 1HG2 ILE 23 -15.238 -0.425 -0.252 167 HG22 ILE 23 2HG2 ILE 23 -15.784 -0.634 -1.915 168 HG23 ILE 23 3HG2 ILE 23 -16.008 0.915 -1.102 169 HD11 ILE 23 1HD1 ILE 23 -13.689 3.488 0.097 170 HD12 ILE 23 2HD1 ILE 23 -15.168 2.574 -0.200 171 HD13 ILE 23 3HD1 ILE 23 -14.294 3.302 -1.549 172 HN1 NH2 24 HN1 NH2 24 -13.142 -3.187 -1.718 173 HN2 NH2 24 HN2 NH2 24 -13.865 -3.596 -3.238 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 3.747 6.024 -2.876 2 H2 ALA 1 2HT ALA 1 2.280 5.543 -2.208 3 H3 ALA 1 3HT ALA 1 2.422 5.671 -3.877 4 HA ALA 1 HA ALA 1 2.463 3.378 -3.145 5 HB1 ALA 1 1HB ALA 1 3.751 3.954 -5.136 6 HB2 ALA 1 2HB ALA 1 4.591 2.713 -4.203 7 HB3 ALA 1 3HB ALA 1 5.132 4.389 -4.133 8 H CYS 2 HN CYS 2 3.998 1.699 -2.117 9 HA CYS 2 HA CYS 2 4.614 2.607 0.526 10 HB2 CYS 2 2HB CYS 2 4.650 -0.047 -0.841 11 HB3 CYS 2 1HB CYS 2 5.625 0.153 0.593 12 H LYS 3 HN LYS 3 6.562 2.617 1.491 13 HA LYS 3 HA LYS 3 8.896 2.934 -0.237 14 HB2 LYS 3 2HB LYS 3 8.478 3.343 2.730 15 HB3 LYS 3 1HB LYS 3 10.000 3.614 1.906 16 HG2 LYS 3 2HG LYS 3 8.933 5.386 0.573 17 HG3 LYS 3 1HG LYS 3 7.431 5.124 1.469 18 HD2 LYS 3 2HD LYS 3 8.480 5.724 3.527 19 HD3 LYS 3 1HD LYS 3 10.060 5.795 2.758 20 HE2 LYS 3 2HE LYS 3 9.205 7.670 1.347 21 HE3 LYS 3 1HE LYS 3 7.712 7.627 2.287 22 HZ1 LYS 3 1HZ LYS 3 9.002 8.105 4.276 23 HZ2 LYS 3 2HZ LYS 3 9.241 9.312 3.137 24 HZ3 LYS 3 3HZ LYS 3 10.418 8.126 3.375 25 H GLU 4 HN GLU 4 7.599 1.139 2.429 26 HA GLU 4 HA GLU 4 9.614 -0.952 2.157 27 HB2 GLU 4 2HB GLU 4 7.606 -0.408 4.329 28 HB3 GLU 4 1HB GLU 4 8.877 -1.617 4.371 29 HG2 GLU 4 2HG GLU 4 10.582 0.101 4.391 30 HG3 GLU 4 1HG GLU 4 9.351 1.354 4.252 31 H TYR 5 HN TYR 5 8.894 -2.520 0.957 32 HA TYR 5 HA TYR 5 6.395 -2.803 -0.220 33 HB2 TYR 5 2HB TYR 5 8.493 -3.906 -0.987 34 HB3 TYR 5 1HB TYR 5 8.367 -5.011 0.365 35 HD1 TYR 5 1HD TYR 5 6.745 -6.821 0.375 36 HD2 TYR 5 2HD TYR 5 6.938 -4.082 -2.873 37 HE1 TYR 5 1HE TYR 5 5.328 -8.301 -0.943 38 HE2 TYR 5 2HE TYR 5 5.530 -5.560 -4.201 39 HH TYR 5 HH TYR 5 4.878 -7.912 -4.282 40 H TRP 6 HN TRP 6 7.719 -4.451 2.471 41 HA TRP 6 HA TRP 6 5.650 -6.264 3.016 42 HB2 TRP 6 2HB TRP 6 6.836 -6.580 5.196 43 HB3 TRP 6 1HB TRP 6 7.802 -6.729 3.726 44 HD1 TRP 6 1HD TRP 6 7.484 -4.574 6.865 45 HE1 TRP 6 1HE TRP 6 9.523 -3.002 6.983 46 HE3 TRP 6 3HE TRP 6 9.517 -5.501 2.263 47 HZ2 TRP 6 2HZ TRP 6 11.700 -2.260 5.337 48 HZ3 TRP 6 3HZ TRP 6 11.560 -4.320 1.620 49 HH2 TRP 6 2HH TRP 6 12.625 -2.739 3.128 50 H GLU 7 HN GLU 7 5.673 -3.015 3.574 51 HA GLU 7 HA GLU 7 4.272 -2.837 6.043 52 HB2 GLU 7 2HB GLU 7 5.422 -0.908 4.987 53 HB3 GLU 7 1HB GLU 7 4.198 -0.900 3.728 54 HG2 GLU 7 2HG GLU 7 3.681 0.822 5.289 55 HG3 GLU 7 1HG GLU 7 2.492 -0.464 5.477 56 H CYS 8 HN CYS 8 3.060 -2.551 2.790 57 HA CYS 8 HA CYS 8 0.429 -3.356 3.775 58 HB2 CYS 8 2HB CYS 8 1.168 -1.595 1.465 59 HB3 CYS 8 1HB CYS 8 -0.454 -2.053 1.949 60 H GLY 9 HN GLY 9 2.953 -3.996 1.465 61 HA2 GLY 9 2HA GLY 9 3.185 -5.798 0.049 62 HA3 GLY 9 1HA GLY 9 1.534 -6.282 0.433 63 H ALA 10 HN ALA 10 2.757 -6.112 -2.226 64 HA ALA 10 HA ALA 10 1.559 -3.747 -3.358 65 HB1 ALA 10 1HB ALA 10 2.460 -4.521 -5.491 66 HB2 ALA 10 2HB ALA 10 2.997 -6.018 -4.720 67 HB3 ALA 10 3HB ALA 10 3.696 -4.471 -4.238 68 H PHE 11 HN PHE 11 -0.477 -3.902 -3.104 69 HA PHE 11 HA PHE 11 -2.120 -5.209 -4.962 70 HB2 PHE 11 2HB PHE 11 -1.799 -7.173 -3.429 71 HB3 PHE 11 1HB PHE 11 -2.318 -6.180 -2.076 72 HD1 PHE 11 1HD PHE 11 -3.504 -7.458 -5.370 73 HD2 PHE 11 2HD PHE 11 -4.551 -6.198 -1.438 74 HE1 PHE 11 1HE PHE 11 -5.830 -8.157 -5.761 75 HE2 PHE 11 2HE PHE 11 -6.868 -6.893 -1.829 76 HZ PHE 11 HZ PHE 11 -7.514 -7.877 -3.991 77 H LEU 12 HN LEU 12 -1.817 -3.933 -1.719 78 HA LEU 12 HA LEU 12 -3.997 -2.061 -2.114 79 HB2 LEU 12 2HB LEU 12 -1.956 -2.280 0.132 80 HB3 LEU 12 1HB LEU 12 -3.272 -1.141 0.097 81 HG LEU 12 HG LEU 12 -3.854 -2.773 1.641 82 HD11 LEU 12 1HD1 LEU 12 -5.858 -3.834 0.746 83 HD12 LEU 12 2HD1 LEU 12 -5.320 -3.452 -0.888 84 HD13 LEU 12 3HD1 LEU 12 -5.698 -2.151 0.241 85 HD21 LEU 12 1HD2 LEU 12 -3.898 -5.202 1.179 86 HD22 LEU 12 2HD2 LEU 12 -2.277 -4.516 1.085 87 HD23 LEU 12 3HD2 LEU 12 -3.159 -4.891 -0.394 88 H PHE 13 HN PHE 13 -3.490 0.246 -1.919 89 HA PHE 13 HA PHE 13 -0.871 0.835 -3.052 90 HB2 PHE 13 2HB PHE 13 -3.359 2.566 -2.855 91 HB3 PHE 13 1HB PHE 13 -1.815 3.123 -3.479 92 HD1 PHE 13 1HD PHE 13 -0.813 1.640 -5.394 93 HD2 PHE 13 2HD PHE 13 -4.929 1.792 -4.319 94 HE1 PHE 13 1HE PHE 13 -1.422 0.849 -7.634 95 HE2 PHE 13 2HE PHE 13 -5.541 1.002 -6.546 96 HZ PHE 13 HZ PHE 13 -3.785 0.522 -8.215 97 H CYS 14 HN CYS 14 0.026 3.024 -2.074 98 HA CYS 14 HA CYS 14 -0.505 2.900 0.800 99 HB2 CYS 14 2HB CYS 14 2.298 2.980 -0.191 100 HB3 CYS 14 1HB CYS 14 1.699 2.660 1.424 101 H ILE 15 HN ILE 15 -0.799 4.829 1.446 102 HA ILE 15 HA ILE 15 0.478 6.963 -0.016 103 HB ILE 15 HB ILE 15 -1.872 7.334 0.031 104 HG12 ILE 15 2HG1 ILE 15 -0.497 9.184 1.980 105 HG13 ILE 15 1HG1 ILE 15 -0.485 9.312 0.230 106 HG21 ILE 15 1HG2 ILE 15 -1.809 7.211 3.042 107 HG22 ILE 15 2HG2 ILE 15 -2.483 5.967 1.988 108 HG23 ILE 15 3HG2 ILE 15 -3.229 7.567 2.059 109 HD11 ILE 15 1HD1 ILE 15 -2.878 9.758 0.246 110 HD12 ILE 15 2HD1 ILE 15 -1.991 10.919 1.238 111 HD13 ILE 15 3HD1 ILE 15 -2.894 9.612 2.003 112 H GLU 16 HN GLU 16 2.290 6.954 0.662 113 HA GLU 16 HA GLU 16 4.170 7.290 1.831 114 HB2 GLU 16 2HB GLU 16 2.297 8.622 3.660 115 HB3 GLU 16 1HB GLU 16 4.052 8.935 3.616 116 HG2 GLU 16 2HG GLU 16 1.882 9.758 1.690 117 HG3 GLU 16 1HG GLU 16 3.134 10.757 2.426 118 H GLY 17 HN GLY 17 2.563 4.967 2.427 119 HA2 GLY 17 2HA GLY 17 3.573 3.172 3.765 120 HA3 GLY 17 1HA GLY 17 3.708 4.339 5.074 121 H ILE 18 HN ILE 18 0.897 5.279 4.157 122 HA ILE 18 HA ILE 18 -0.532 3.383 5.848 123 HB ILE 18 HB ILE 18 -1.503 5.887 4.430 124 HG12 ILE 18 2HG1 ILE 18 0.156 6.460 6.112 125 HG13 ILE 18 1HG1 ILE 18 -1.435 6.970 6.657 126 HG21 ILE 18 1HG2 ILE 18 -3.466 5.805 5.896 127 HG22 ILE 18 2HG2 ILE 18 -2.897 4.273 6.557 128 HG23 ILE 18 3HG2 ILE 18 -3.357 4.381 4.859 129 HD11 ILE 18 1HD1 ILE 18 -0.161 6.027 8.485 130 HD12 ILE 18 2HD1 ILE 18 0.082 4.535 7.585 131 HD13 ILE 18 3HD1 ILE 18 -1.537 4.986 8.117 132 H CYS 19 HN CYS 19 -1.994 1.859 5.057 133 HA CYS 19 HA CYS 19 -1.724 1.309 2.249 134 HB2 CYS 19 2HB CYS 19 -3.470 -0.302 4.120 135 HB3 CYS 19 1HB CYS 19 -2.597 -0.783 2.699 136 H VAL 20 HN VAL 20 -3.166 1.674 0.751 137 HA VAL 20 HA VAL 20 -5.698 2.947 1.462 138 HB VAL 20 HB VAL 20 -4.328 2.702 -1.226 139 HG11 VAL 20 1HG1 VAL 20 -5.876 4.468 -1.976 140 HG12 VAL 20 2HG1 VAL 20 -6.670 4.418 -0.402 141 HG13 VAL 20 3HG1 VAL 20 -6.726 3.009 -1.462 142 HG21 VAL 20 1HG2 VAL 20 -4.390 5.055 0.660 143 HG22 VAL 20 2HG2 VAL 20 -3.730 5.082 -0.975 144 HG23 VAL 20 3HG2 VAL 20 -2.984 4.068 0.260 145 HA PRO 21 HA PRO 21 -7.611 -1.041 0.868 146 HB2 PRO 21 2HB PRO 21 -10.013 0.591 0.296 147 HB3 PRO 21 1HB PRO 21 -9.777 -0.698 1.479 148 HG2 PRO 21 2HG PRO 21 -9.887 1.858 2.235 149 HG3 PRO 21 1HG PRO 21 -8.795 0.707 3.021 150 HD2 PRO 21 2HD PRO 21 -8.186 2.848 1.046 151 HD3 PRO 21 1HD PRO 21 -7.244 2.257 2.435 152 H MET 22 HN MET 22 -7.824 -2.318 -0.796 153 HA MET 22 HA MET 22 -7.859 -1.342 -3.423 154 HB2 MET 22 2HB MET 22 -6.469 -3.140 -3.106 155 HB3 MET 22 1HB MET 22 -7.669 -4.058 -2.177 156 HG2 MET 22 2HG MET 22 -7.261 -5.094 -4.327 157 HG3 MET 22 1HG MET 22 -8.891 -4.434 -4.291 158 HE1 MET 22 1HE MET 22 -7.799 -4.045 -8.040 159 HE2 MET 22 2HE MET 22 -9.002 -4.719 -6.940 160 HE3 MET 22 3HE MET 22 -7.358 -5.355 -6.944 161 H ILE 23 HN ILE 23 -9.435 -1.761 -4.840 162 HA ILE 23 HA ILE 23 -12.048 -2.561 -3.739 163 HB ILE 23 HB ILE 23 -11.675 -0.363 -5.813 164 HG12 ILE 23 2HG1 ILE 23 -12.496 -0.140 -2.899 165 HG13 ILE 23 1HG1 ILE 23 -10.913 0.288 -3.528 166 HG21 ILE 23 1HG2 ILE 23 -14.148 -1.359 -4.383 167 HG22 ILE 23 2HG2 ILE 23 -13.779 -1.577 -6.093 168 HG23 ILE 23 3HG2 ILE 23 -14.086 0.039 -5.454 169 HD11 ILE 23 1HD1 ILE 23 -11.939 2.048 -4.880 170 HD12 ILE 23 2HD1 ILE 23 -12.296 2.252 -3.164 171 HD13 ILE 23 3HD1 ILE 23 -13.523 1.598 -4.249 172 HN1 NH2 24 HN1 NH2 24 -11.890 -4.604 -4.464 173 HN2 NH2 24 HN2 NH2 24 -11.874 -5.040 -6.135 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 4.754 7.237 -1.552 2 H2 ALA 1 2HT ALA 1 3.806 6.301 -2.576 3 H3 ALA 1 3HT ALA 1 5.192 7.083 -3.193 4 HA ALA 1 HA ALA 1 5.555 4.734 -2.857 5 HB1 ALA 1 1HB ALA 1 7.515 4.891 -1.391 6 HB2 ALA 1 2HB ALA 1 6.971 6.471 -0.831 7 HB3 ALA 1 3HB ALA 1 7.446 6.248 -2.511 8 H CYS 2 HN CYS 2 5.906 3.062 -1.126 9 HA CYS 2 HA CYS 2 3.790 3.264 0.873 10 HB2 CYS 2 2HB CYS 2 5.403 0.865 -0.039 11 HB3 CYS 2 1HB CYS 2 3.976 0.839 0.989 12 H LYS 3 HN LYS 3 4.287 2.749 3.098 13 HA LYS 3 HA LYS 3 6.721 3.618 4.110 14 HB2 LYS 3 2HB LYS 3 5.994 2.574 6.261 15 HB3 LYS 3 1HB LYS 3 4.714 3.505 5.507 16 HG2 LYS 3 2HG LYS 3 3.839 1.308 4.589 17 HG3 LYS 3 1HG LYS 3 4.987 0.514 5.662 18 HD2 LYS 3 2HD LYS 3 2.764 2.386 6.509 19 HD3 LYS 3 1HD LYS 3 2.748 0.635 6.656 20 HE2 LYS 3 2HE LYS 3 4.620 2.533 8.083 21 HE3 LYS 3 1HE LYS 3 3.248 1.696 8.796 22 HZ1 LYS 3 1HZ LYS 3 4.448 -0.410 8.096 23 HZ2 LYS 3 2HZ LYS 3 5.073 0.442 9.395 24 HZ3 LYS 3 3HZ LYS 3 5.814 0.560 7.883 25 H GLU 4 HN GLU 4 5.601 0.395 3.341 26 HA GLU 4 HA GLU 4 8.061 -0.320 2.272 27 HB2 GLU 4 2HB GLU 4 8.518 -0.929 4.689 28 HB3 GLU 4 1HB GLU 4 7.100 -1.976 4.620 29 HG2 GLU 4 2HG GLU 4 9.193 -3.202 4.364 30 HG3 GLU 4 1HG GLU 4 8.132 -3.345 2.962 31 H TYR 5 HN TYR 5 7.735 -2.102 0.985 32 HA TYR 5 HA TYR 5 5.020 -2.169 0.021 33 HB2 TYR 5 2HB TYR 5 7.003 -2.067 -1.457 34 HB3 TYR 5 1HB TYR 5 7.440 -3.673 -0.932 35 HD1 TYR 5 1HD TYR 5 4.497 -1.916 -2.460 36 HD2 TYR 5 2HD TYR 5 6.841 -5.467 -2.266 37 HE1 TYR 5 1HE TYR 5 3.168 -2.893 -4.274 38 HE2 TYR 5 2HE TYR 5 5.513 -6.449 -4.063 39 HH TYR 5 HH TYR 5 3.441 -6.235 -5.171 40 H TRP 6 HN TRP 6 7.253 -4.485 1.230 41 HA TRP 6 HA TRP 6 5.499 -6.689 0.738 42 HB2 TRP 6 2HB TRP 6 7.163 -8.165 1.795 43 HB3 TRP 6 1HB TRP 6 7.814 -7.101 0.557 44 HD1 TRP 6 1HD TRP 6 7.645 -7.188 4.438 45 HE1 TRP 6 1HE TRP 6 9.844 -6.243 5.341 46 HE3 TRP 6 3HE TRP 6 9.857 -5.944 0.007 47 HZ2 TRP 6 2HZ TRP 6 12.232 -5.130 4.309 48 HZ3 TRP 6 3HZ TRP 6 12.102 -4.953 0.057 49 HH2 TRP 6 2HH TRP 6 13.259 -4.556 2.163 50 H GLU 7 HN GLU 7 5.937 -4.753 3.565 51 HA GLU 7 HA GLU 7 4.797 -6.608 5.338 52 HB2 GLU 7 2HB GLU 7 4.599 -4.747 6.835 53 HB3 GLU 7 1HB GLU 7 6.193 -4.767 6.100 54 HG2 GLU 7 2HG GLU 7 5.569 -2.980 4.620 55 HG3 GLU 7 1HG GLU 7 3.917 -3.071 5.169 56 H CYS 8 HN CYS 8 3.556 -4.349 3.103 57 HA CYS 8 HA CYS 8 0.932 -4.334 4.236 58 HB2 CYS 8 2HB CYS 8 1.988 -3.216 1.639 59 HB3 CYS 8 1HB CYS 8 0.405 -2.891 2.340 60 H GLY 9 HN GLY 9 2.627 -5.721 1.503 61 HA2 GLY 9 2HA GLY 9 1.796 -8.135 1.294 62 HA3 GLY 9 1HA GLY 9 0.265 -7.340 0.940 63 H ALA 10 HN ALA 10 0.100 -8.053 -1.110 64 HA ALA 10 HA ALA 10 2.207 -7.239 -2.972 65 HB1 ALA 10 1HB ALA 10 0.040 -9.317 -3.289 66 HB2 ALA 10 2HB ALA 10 1.743 -9.636 -2.956 67 HB3 ALA 10 3HB ALA 10 1.265 -8.910 -4.492 68 H PHE 11 HN PHE 11 1.789 -5.557 -4.142 69 HA PHE 11 HA PHE 11 0.849 -3.882 -5.211 70 HB2 PHE 11 2HB PHE 11 -1.174 -5.983 -5.952 71 HB3 PHE 11 1HB PHE 11 -1.145 -4.375 -6.666 72 HD1 PHE 11 1HD PHE 11 0.767 -3.692 -8.066 73 HD2 PHE 11 2HD PHE 11 0.365 -7.670 -6.609 74 HE1 PHE 11 1HE PHE 11 2.403 -4.467 -9.729 75 HE2 PHE 11 2HE PHE 11 2.002 -8.446 -8.266 76 HZ PHE 11 HZ PHE 11 3.026 -6.841 -9.828 77 H LEU 12 HN LEU 12 0.544 -2.668 -3.389 78 HA LEU 12 HA LEU 12 -2.286 -2.083 -2.912 79 HB2 LEU 12 2HB LEU 12 0.039 -1.841 -0.969 80 HB3 LEU 12 1HB LEU 12 -1.492 -1.048 -0.726 81 HG LEU 12 HG LEU 12 -1.416 -2.909 0.705 82 HD11 LEU 12 1HD1 LEU 12 -3.165 -3.617 -1.624 83 HD12 LEU 12 2HD1 LEU 12 -3.561 -2.544 -0.284 84 HD13 LEU 12 3HD1 LEU 12 -3.307 -4.266 0.010 85 HD21 LEU 12 1HD2 LEU 12 0.340 -4.209 -0.343 86 HD22 LEU 12 2HD2 LEU 12 -0.739 -4.631 -1.673 87 HD23 LEU 12 3HD2 LEU 12 -1.073 -5.221 -0.046 88 H PHE 13 HN PHE 13 -2.793 -0.031 -3.465 89 HA PHE 13 HA PHE 13 -0.608 1.597 -4.372 90 HB2 PHE 13 2HB PHE 13 -3.604 2.021 -4.500 91 HB3 PHE 13 1HB PHE 13 -2.422 3.166 -5.135 92 HD1 PHE 13 1HD PHE 13 -4.216 0.087 -5.751 93 HD2 PHE 13 2HD PHE 13 -0.911 2.464 -6.996 94 HE1 PHE 13 1HE PHE 13 -4.111 -1.171 -7.847 95 HE2 PHE 13 2HE PHE 13 -0.802 1.206 -9.103 96 HZ PHE 13 HZ PHE 13 -2.409 -0.620 -9.531 97 H CYS 14 HN CYS 14 0.348 2.995 -3.187 98 HA CYS 14 HA CYS 14 -0.754 3.410 -0.529 99 HB2 CYS 14 2HB CYS 14 2.069 3.692 -1.534 100 HB3 CYS 14 1HB CYS 14 1.539 3.811 0.145 101 H ILE 15 HN ILE 15 -0.799 5.406 0.452 102 HA ILE 15 HA ILE 15 -0.269 7.747 -1.138 103 HB ILE 15 HB ILE 15 -2.903 7.257 0.323 104 HG12 ILE 15 2HG1 ILE 15 -2.454 7.489 -2.672 105 HG13 ILE 15 1HG1 ILE 15 -2.788 5.986 -1.825 106 HG21 ILE 15 1HG2 ILE 15 -1.951 9.586 -1.345 107 HG22 ILE 15 2HG2 ILE 15 -2.179 9.571 0.405 108 HG23 ILE 15 3HG2 ILE 15 -3.570 9.417 -0.669 109 HD11 ILE 15 1HD1 ILE 15 -4.983 6.838 -1.180 110 HD12 ILE 15 2HD1 ILE 15 -4.776 6.864 -2.932 111 HD13 ILE 15 3HD1 ILE 15 -4.637 8.357 -2.003 112 H GLU 16 HN GLU 16 0.924 8.910 0.132 113 HA GLU 16 HA GLU 16 1.835 9.990 1.818 114 HB2 GLU 16 2HB GLU 16 -0.623 10.362 2.413 115 HB3 GLU 16 1HB GLU 16 -0.408 9.039 3.562 116 HG2 GLU 16 2HG GLU 16 1.416 10.230 4.556 117 HG3 GLU 16 1HG GLU 16 1.112 11.564 3.445 118 H GLY 17 HN GLY 17 2.114 7.135 1.253 119 HA2 GLY 17 2HA GLY 17 3.825 5.687 2.010 120 HA3 GLY 17 1HA GLY 17 3.755 6.480 3.582 121 H ILE 18 HN ILE 18 0.710 6.148 3.204 122 HA ILE 18 HA ILE 18 0.569 3.698 4.720 123 HB ILE 18 HB ILE 18 -1.617 5.605 3.811 124 HG12 ILE 18 2HG1 ILE 18 -0.265 5.379 6.513 125 HG13 ILE 18 1HG1 ILE 18 0.034 6.652 5.337 126 HG21 ILE 18 1HG2 ILE 18 -1.713 3.377 5.851 127 HG22 ILE 18 2HG2 ILE 18 -2.511 3.385 4.279 128 HG23 ILE 18 3HG2 ILE 18 -3.017 4.522 5.527 129 HD11 ILE 18 1HD1 ILE 18 -1.435 7.411 7.116 130 HD12 ILE 18 2HD1 ILE 18 -2.572 6.113 6.753 131 HD13 ILE 18 3HD1 ILE 18 -2.288 7.393 5.573 132 H CYS 19 HN CYS 19 -0.052 1.785 3.864 133 HA CYS 19 HA CYS 19 -0.423 1.630 1.020 134 HB2 CYS 19 2HB CYS 19 -0.545 -0.568 3.116 135 HB3 CYS 19 1HB CYS 19 -0.370 -0.773 1.382 136 H VAL 20 HN VAL 20 -2.381 2.085 0.218 137 HA VAL 20 HA VAL 20 -4.686 1.695 1.946 138 HB VAL 20 HB VAL 20 -4.449 3.354 -0.580 139 HG11 VAL 20 1HG1 VAL 20 -6.624 3.255 1.507 140 HG12 VAL 20 2HG1 VAL 20 -6.725 2.627 -0.136 141 HG13 VAL 20 3HG1 VAL 20 -6.563 4.364 0.136 142 HG21 VAL 20 1HG2 VAL 20 -4.426 5.313 0.900 143 HG22 VAL 20 2HG2 VAL 20 -3.033 4.268 1.188 144 HG23 VAL 20 3HG2 VAL 20 -4.398 4.248 2.306 145 HA PRO 21 HA PRO 21 -5.588 -1.556 -0.997 146 HB2 PRO 21 2HB PRO 21 -7.322 -2.914 0.561 147 HB3 PRO 21 1HB PRO 21 -5.574 -3.051 0.767 148 HG2 PRO 21 2HG PRO 21 -7.558 -1.560 2.393 149 HG3 PRO 21 1HG PRO 21 -6.060 -2.349 2.895 150 HD2 PRO 21 2HD PRO 21 -6.398 0.392 2.451 151 HD3 PRO 21 1HD PRO 21 -4.849 -0.462 2.562 152 H MET 22 HN MET 22 -7.493 -2.127 -2.150 153 HA MET 22 HA MET 22 -9.305 -0.119 -2.661 154 HB2 MET 22 2HB MET 22 -8.706 -1.977 -4.211 155 HB3 MET 22 1HB MET 22 -9.592 -3.066 -3.138 156 HG2 MET 22 2HG MET 22 -11.662 -2.006 -3.683 157 HG3 MET 22 1HG MET 22 -10.829 -0.792 -4.654 158 HE1 MET 22 1HE MET 22 -11.098 -5.274 -5.780 159 HE2 MET 22 2HE MET 22 -11.803 -4.582 -4.320 160 HE3 MET 22 3HE MET 22 -10.051 -4.683 -4.491 161 H ILE 23 HN ILE 23 -11.634 -0.219 -2.250 162 HA ILE 23 HA ILE 23 -12.138 -1.086 0.486 163 HB ILE 23 HB ILE 23 -13.900 0.628 -1.325 164 HG12 ILE 23 2HG1 ILE 23 -12.100 1.435 0.975 165 HG13 ILE 23 1HG1 ILE 23 -11.747 1.697 -0.728 166 HG21 ILE 23 1HG2 ILE 23 -15.190 -0.559 0.397 167 HG22 ILE 23 2HG2 ILE 23 -15.146 1.177 0.706 168 HG23 ILE 23 3HG2 ILE 23 -14.120 0.090 1.642 169 HD11 ILE 23 1HD1 ILE 23 -13.687 3.181 -0.892 170 HD12 ILE 23 2HD1 ILE 23 -12.545 3.730 0.336 171 HD13 ILE 23 3HD1 ILE 23 -14.031 2.911 0.816 172 HN1 NH2 24 HN1 NH2 24 -12.386 -3.226 0.321 173 HN2 NH2 24 HN2 NH2 24 -13.629 -4.017 -0.586 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 4.930 5.049 -5.377 2 H2 ALA 1 2HT ALA 1 3.734 5.667 -4.398 3 H3 ALA 1 3HT ALA 1 3.321 4.980 -5.889 4 HA ALA 1 HA ALA 1 2.813 3.488 -4.055 5 HB1 ALA 1 1HB ALA 1 3.546 2.501 -6.175 6 HB2 ALA 1 2HB ALA 1 4.093 1.541 -4.801 7 HB3 ALA 1 3HB ALA 1 5.221 2.604 -5.641 8 H CYS 2 HN CYS 2 3.551 2.322 -2.202 9 HA CYS 2 HA CYS 2 5.555 3.754 -0.735 10 HB2 CYS 2 2HB CYS 2 3.754 1.443 0.011 11 HB3 CYS 2 1HB CYS 2 4.862 2.240 1.123 12 H LYS 3 HN LYS 3 7.427 2.849 0.182 13 HA LYS 3 HA LYS 3 8.677 0.943 -1.573 14 HB2 LYS 3 2HB LYS 3 9.897 2.939 -0.753 15 HB3 LYS 3 1HB LYS 3 9.798 2.302 0.880 16 HG2 LYS 3 2HG LYS 3 11.158 0.384 0.239 17 HG3 LYS 3 1HG LYS 3 11.232 0.978 -1.419 18 HD2 LYS 3 2HD LYS 3 12.390 2.992 -0.643 19 HD3 LYS 3 1HD LYS 3 12.307 2.404 1.015 20 HE2 LYS 3 2HE LYS 3 14.506 1.953 0.104 21 HE3 LYS 3 1HE LYS 3 13.643 0.440 0.367 22 HZ1 LYS 3 1HZ LYS 3 14.791 0.429 -1.750 23 HZ2 LYS 3 2HZ LYS 3 13.988 1.815 -2.249 24 HZ3 LYS 3 3HZ LYS 3 13.133 0.388 -2.026 25 H GLU 4 HN GLU 4 7.445 0.949 1.716 26 HA GLU 4 HA GLU 4 8.595 -1.562 2.395 27 HB2 GLU 4 2HB GLU 4 6.294 -0.144 3.625 28 HB3 GLU 4 1HB GLU 4 7.008 -1.657 4.165 29 HG2 GLU 4 2HG GLU 4 7.764 0.236 5.568 30 HG3 GLU 4 1HG GLU 4 9.084 -0.563 4.730 31 H TYR 5 HN TYR 5 8.010 -2.580 0.664 32 HA TYR 5 HA TYR 5 5.349 -3.429 -0.043 33 HB2 TYR 5 2HB TYR 5 7.292 -3.466 -1.613 34 HB3 TYR 5 1HB TYR 5 7.986 -4.763 -0.674 35 HD1 TYR 5 1HD TYR 5 7.323 -7.007 -0.989 36 HD2 TYR 5 2HD TYR 5 5.150 -3.901 -2.897 37 HE1 TYR 5 1HE TYR 5 6.172 -8.673 -2.344 38 HE2 TYR 5 2HE TYR 5 3.982 -5.564 -4.276 39 HH TYR 5 HH TYR 5 4.134 -8.929 -3.643 40 H TRP 6 HN TRP 6 7.983 -4.753 1.675 41 HA TRP 6 HA TRP 6 6.982 -7.283 2.387 42 HB2 TRP 6 2HB TRP 6 8.757 -7.254 4.158 43 HB3 TRP 6 1HB TRP 6 9.349 -6.800 2.569 44 HD1 TRP 6 1HD TRP 6 8.661 -5.322 6.032 45 HE1 TRP 6 1HE TRP 6 9.839 -3.042 6.224 46 HE3 TRP 6 3HE TRP 6 10.266 -4.848 1.204 47 HZ2 TRP 6 2HZ TRP 6 11.282 -1.282 4.533 48 HZ3 TRP 6 3HZ TRP 6 11.537 -2.842 0.585 49 HH2 TRP 6 2HH TRP 6 12.033 -1.103 2.218 50 H GLU 7 HN GLU 7 6.545 -4.179 3.858 51 HA GLU 7 HA GLU 7 5.512 -5.250 6.306 52 HB2 GLU 7 2HB GLU 7 6.836 -3.143 6.207 53 HB3 GLU 7 1HB GLU 7 5.497 -2.406 5.338 54 HG2 GLU 7 2HG GLU 7 4.055 -2.690 7.238 55 HG3 GLU 7 1HG GLU 7 5.332 -3.528 8.114 56 H CYS 8 HN CYS 8 4.221 -3.495 3.621 57 HA CYS 8 HA CYS 8 1.568 -3.583 4.612 58 HB2 CYS 8 2HB CYS 8 2.602 -2.871 1.879 59 HB3 CYS 8 1HB CYS 8 0.978 -2.565 2.484 60 H GLY 9 HN GLY 9 3.320 -5.385 2.143 61 HA2 GLY 9 2HA GLY 9 2.677 -7.768 2.039 62 HA3 GLY 9 1HA GLY 9 1.011 -7.200 1.988 63 H ALA 10 HN ALA 10 1.156 -8.594 0.010 64 HA ALA 10 HA ALA 10 2.623 -7.660 -2.217 65 HB1 ALA 10 1HB ALA 10 1.451 -9.352 -3.492 66 HB2 ALA 10 2HB ALA 10 0.298 -9.573 -2.176 67 HB3 ALA 10 3HB ALA 10 1.990 -10.016 -1.947 68 H PHE 11 HN PHE 11 2.171 -5.630 -2.594 69 HA PHE 11 HA PHE 11 1.344 -3.876 -3.648 70 HB2 PHE 11 2HB PHE 11 -0.297 -5.906 -5.136 71 HB3 PHE 11 1HB PHE 11 -0.157 -4.212 -5.601 72 HD1 PHE 11 1HD PHE 11 1.242 -7.448 -5.936 73 HD2 PHE 11 2HD PHE 11 2.228 -3.314 -5.950 74 HE1 PHE 11 1HE PHE 11 3.328 -7.953 -7.129 75 HE2 PHE 11 2HE PHE 11 4.309 -3.807 -7.143 76 HZ PHE 11 HZ PHE 11 4.866 -6.132 -7.740 77 H LEU 12 HN LEU 12 0.576 -2.907 -1.921 78 HA LEU 12 HA LEU 12 -2.341 -2.675 -1.792 79 HB2 LEU 12 2HB LEU 12 -0.208 -2.156 0.286 80 HB3 LEU 12 1HB LEU 12 -1.797 -1.436 0.403 81 HG LEU 12 HG LEU 12 -1.610 -3.315 1.891 82 HD11 LEU 12 1HD1 LEU 12 -3.781 -2.904 0.937 83 HD12 LEU 12 2HD1 LEU 12 -3.536 -4.629 1.208 84 HD13 LEU 12 3HD1 LEU 12 -3.410 -3.969 -0.422 85 HD21 LEU 12 1HD2 LEU 12 -1.326 -5.618 1.079 86 HD22 LEU 12 2HD2 LEU 12 0.097 -4.624 0.763 87 HD23 LEU 12 3HD2 LEU 12 -1.026 -4.997 -0.545 88 H PHE 13 HN PHE 13 -3.075 -0.431 -1.568 89 HA PHE 13 HA PHE 13 -1.264 1.312 -3.034 90 HB2 PHE 13 2HB PHE 13 -4.278 1.296 -2.784 91 HB3 PHE 13 1HB PHE 13 -3.396 2.619 -3.540 92 HD1 PHE 13 1HD PHE 13 -4.196 -0.985 -3.807 93 HD2 PHE 13 2HD PHE 13 -2.516 2.414 -5.742 94 HE1 PHE 13 1HE PHE 13 -4.143 -2.224 -5.933 95 HE2 PHE 13 2HE PHE 13 -2.464 1.185 -7.865 96 HZ PHE 13 HZ PHE 13 -3.274 -1.137 -7.967 97 H CYS 14 HN CYS 14 -1.584 3.745 -2.371 98 HA CYS 14 HA CYS 14 -1.443 3.619 0.554 99 HB2 CYS 14 2HB CYS 14 0.445 5.119 -1.223 100 HB3 CYS 14 1HB CYS 14 0.491 5.057 0.528 101 H ILE 15 HN ILE 15 -2.270 5.156 1.663 102 HA ILE 15 HA ILE 15 -2.990 7.696 0.411 103 HB ILE 15 HB ILE 15 -4.548 6.244 2.554 104 HG12 ILE 15 2HG1 ILE 15 -5.325 6.839 -0.317 105 HG13 ILE 15 1HG1 ILE 15 -4.953 5.253 0.344 106 HG21 ILE 15 1HG2 ILE 15 -6.183 8.110 2.370 107 HG22 ILE 15 2HG2 ILE 15 -5.099 8.909 1.230 108 HG23 ILE 15 3HG2 ILE 15 -4.590 8.658 2.900 109 HD11 ILE 15 1HD1 ILE 15 -6.930 5.398 1.781 110 HD12 ILE 15 2HD1 ILE 15 -7.347 5.557 0.073 111 HD13 ILE 15 3HD1 ILE 15 -7.295 6.985 1.107 112 H GLU 16 HN GLU 16 -1.532 8.909 1.169 113 HA GLU 16 HA GLU 16 -0.179 10.109 2.401 114 HB2 GLU 16 2HB GLU 16 -2.348 10.320 3.743 115 HB3 GLU 16 1HB GLU 16 -1.609 9.147 4.836 116 HG2 GLU 16 2HG GLU 16 0.251 10.559 5.163 117 HG3 GLU 16 1HG GLU 16 -0.398 11.713 4.010 118 H GLY 17 HN GLY 17 0.222 7.290 1.900 119 HA2 GLY 17 2HA GLY 17 2.283 6.109 2.152 120 HA3 GLY 17 1HA GLY 17 2.495 6.888 3.715 121 H ILE 18 HN ILE 18 -0.565 6.068 3.864 122 HA ILE 18 HA ILE 18 -0.006 3.611 5.296 123 HB ILE 18 HB ILE 18 -2.560 5.222 4.969 124 HG12 ILE 18 2HG1 ILE 18 -0.882 6.386 6.307 125 HG13 ILE 18 1HG1 ILE 18 -2.223 5.872 7.319 126 HG21 ILE 18 1HG2 ILE 18 -3.099 2.870 5.337 127 HG22 ILE 18 2HG2 ILE 18 -3.534 3.850 6.737 128 HG23 ILE 18 3HG2 ILE 18 -2.078 2.858 6.778 129 HD11 ILE 18 1HD1 ILE 18 -0.101 5.537 8.446 130 HD12 ILE 18 2HD1 ILE 18 0.470 4.529 7.122 131 HD13 ILE 18 3HD1 ILE 18 -0.876 3.985 8.125 132 H CYS 19 HN CYS 19 -0.316 1.681 4.444 133 HA CYS 19 HA CYS 19 -1.190 1.478 1.721 134 HB2 CYS 19 2HB CYS 19 -0.281 -0.650 3.668 135 HB3 CYS 19 1HB CYS 19 -0.531 -0.872 1.948 136 H VAL 20 HN VAL 20 -3.166 1.088 1.129 137 HA VAL 20 HA VAL 20 -5.021 -0.420 2.829 138 HB VAL 20 HB VAL 20 -6.835 1.173 2.278 139 HG11 VAL 20 1HG1 VAL 20 -5.694 1.513 4.387 140 HG12 VAL 20 2HG1 VAL 20 -6.181 3.057 3.686 141 HG13 VAL 20 3HG1 VAL 20 -4.499 2.537 3.589 142 HG21 VAL 20 1HG2 VAL 20 -4.666 2.872 1.046 143 HG22 VAL 20 2HG2 VAL 20 -6.346 3.360 1.282 144 HG23 VAL 20 3HG2 VAL 20 -5.956 2.041 0.178 145 HA PRO 21 HA PRO 21 -6.159 -2.157 -1.188 146 HB2 PRO 21 2HB PRO 21 -8.895 -2.413 -0.821 147 HB3 PRO 21 1HB PRO 21 -7.715 -3.605 -0.261 148 HG2 PRO 21 2HG PRO 21 -9.139 -1.471 1.249 149 HG3 PRO 21 1HG PRO 21 -8.674 -3.097 1.768 150 HD2 PRO 21 2HD PRO 21 -7.321 -0.874 2.522 151 HD3 PRO 21 1HD PRO 21 -6.538 -2.450 2.314 152 H MET 22 HN MET 22 -6.770 -1.185 -3.134 153 HA MET 22 HA MET 22 -7.117 1.555 -3.024 154 HB2 MET 22 2HB MET 22 -5.942 0.545 -4.853 155 HB3 MET 22 1HB MET 22 -7.452 -0.213 -5.409 156 HG2 MET 22 2HG MET 22 -8.363 1.972 -5.929 157 HG3 MET 22 1HG MET 22 -6.923 2.754 -5.288 158 HE1 MET 22 1HE MET 22 -7.064 -0.525 -7.516 159 HE2 MET 22 2HE MET 22 -6.968 0.179 -9.130 160 HE3 MET 22 3HE MET 22 -8.386 0.470 -8.125 161 H ILE 23 HN ILE 23 -8.650 2.787 -3.381 162 HA ILE 23 HA ILE 23 -11.393 1.802 -3.060 163 HB ILE 23 HB ILE 23 -10.334 4.641 -2.778 164 HG12 ILE 23 2HG1 ILE 23 -11.000 2.624 -0.616 165 HG13 ILE 23 1HG1 ILE 23 -9.372 3.071 -1.108 166 HG21 ILE 23 1HG2 ILE 23 -12.980 3.428 -1.958 167 HG22 ILE 23 2HG2 ILE 23 -12.724 4.558 -3.288 168 HG23 ILE 23 3HG2 ILE 23 -12.464 5.081 -1.625 169 HD11 ILE 23 1HD1 ILE 23 -11.415 4.898 0.138 170 HD12 ILE 23 2HD1 ILE 23 -9.783 5.360 -0.350 171 HD13 ILE 23 3HD1 ILE 23 -10.018 4.189 0.947 172 HN1 NH2 24 HN1 NH2 24 -12.128 1.344 -5.050 173 HN2 NH2 24 HN2 NH2 24 -12.074 2.405 -6.411 Start of MODEL 21 1 H1 ALA 1 1HT ALA 1 4.527 6.831 -3.012 2 H2 ALA 1 2HT ALA 1 4.130 6.455 -4.611 3 H3 ALA 1 3HT ALA 1 5.714 6.250 -4.049 4 HA ALA 1 HA ALA 1 3.382 4.771 -3.045 5 HB1 ALA 1 1HB ALA 1 5.635 3.795 -4.807 6 HB2 ALA 1 2HB ALA 1 4.025 4.211 -5.378 7 HB3 ALA 1 3HB ALA 1 4.233 2.873 -4.255 8 H CYS 2 HN CYS 2 4.124 2.918 -1.676 9 HA CYS 2 HA CYS 2 5.939 3.874 0.301 10 HB2 CYS 2 2HB CYS 2 4.595 1.182 -0.018 11 HB3 CYS 2 1HB CYS 2 5.483 1.698 1.406 12 H LYS 3 HN LYS 3 7.961 3.118 0.811 13 HA LYS 3 HA LYS 3 9.418 1.768 -1.272 14 HB2 LYS 3 2HB LYS 3 10.284 2.496 1.550 15 HB3 LYS 3 1HB LYS 3 11.340 1.835 0.324 16 HG2 LYS 3 2HG LYS 3 11.820 4.131 0.416 17 HG3 LYS 3 1HG LYS 3 10.844 3.915 -1.030 18 HD2 LYS 3 2HD LYS 3 8.883 4.743 0.115 19 HD3 LYS 3 1HD LYS 3 9.777 4.838 1.634 20 HE2 LYS 3 2HE LYS 3 11.264 6.511 0.647 21 HE3 LYS 3 1HE LYS 3 10.370 6.411 -0.870 22 HZ1 LYS 3 1HZ LYS 3 9.707 8.294 0.500 23 HZ2 LYS 3 2HZ LYS 3 9.242 7.249 1.731 24 HZ3 LYS 3 3HZ LYS 3 8.430 7.224 0.232 25 H GLU 4 HN GLU 4 8.224 1.163 1.954 26 HA GLU 4 HA GLU 4 8.893 -1.645 1.770 27 HB2 GLU 4 2HB GLU 4 7.316 -0.231 3.874 28 HB3 GLU 4 1HB GLU 4 7.901 -1.884 3.892 29 HG2 GLU 4 2HG GLU 4 9.273 -0.537 5.393 30 HG3 GLU 4 1HG GLU 4 10.228 -1.058 4.013 31 H TYR 5 HN TYR 5 7.662 -2.166 0.177 32 HA TYR 5 HA TYR 5 4.767 -1.752 0.178 33 HB2 TYR 5 2HB TYR 5 6.250 -1.810 -1.892 34 HB3 TYR 5 1HB TYR 5 6.298 -3.542 -1.670 35 HD1 TYR 5 1HD TYR 5 4.861 -4.764 -2.986 36 HD2 TYR 5 2HD TYR 5 3.639 -0.929 -1.663 37 HE1 TYR 5 1HE TYR 5 2.734 -5.030 -4.181 38 HE2 TYR 5 2HE TYR 5 1.520 -1.178 -2.847 39 HH TYR 5 HH TYR 5 0.656 -2.451 -4.768 40 H TRP 6 HN TRP 6 7.104 -4.098 0.814 41 HA TRP 6 HA TRP 6 5.524 -6.388 1.198 42 HB2 TRP 6 2HB TRP 6 7.325 -7.304 2.556 43 HB3 TRP 6 1HB TRP 6 8.037 -6.423 1.214 44 HD1 TRP 6 1HD TRP 6 9.387 -4.145 1.842 45 HE1 TRP 6 1HE TRP 6 10.409 -3.323 4.067 46 HE3 TRP 6 3HE TRP 6 7.018 -7.322 5.067 47 HZ2 TRP 6 2HZ TRP 6 10.229 -3.929 6.791 48 HZ3 TRP 6 3HZ TRP 6 7.506 -7.136 7.466 49 HH2 TRP 6 2HH TRP 6 9.079 -5.476 8.305 50 H GLU 7 HN GLU 7 5.911 -3.544 3.092 51 HA GLU 7 HA GLU 7 4.862 -4.527 5.543 52 HB2 GLU 7 2HB GLU 7 6.250 -2.502 5.417 53 HB3 GLU 7 1HB GLU 7 5.014 -1.712 4.452 54 HG2 GLU 7 2HG GLU 7 4.921 -0.925 6.721 55 HG3 GLU 7 1HG GLU 7 3.472 -1.854 6.345 56 H CYS 8 HN CYS 8 3.572 -3.191 2.668 57 HA CYS 8 HA CYS 8 0.934 -2.806 3.659 58 HB2 CYS 8 2HB CYS 8 1.916 -3.034 0.819 59 HB3 CYS 8 1HB CYS 8 0.382 -2.371 1.372 60 H GLY 9 HN GLY 9 2.617 -5.192 1.731 61 HA2 GLY 9 2HA GLY 9 2.027 -7.544 2.126 62 HA3 GLY 9 1HA GLY 9 0.344 -7.021 2.148 63 H ALA 10 HN ALA 10 -0.297 -8.281 0.424 64 HA ALA 10 HA ALA 10 1.120 -7.934 -2.089 65 HB1 ALA 10 1HB ALA 10 0.608 -10.221 -1.396 66 HB2 ALA 10 2HB ALA 10 -0.210 -9.804 -2.903 67 HB3 ALA 10 3HB ALA 10 -1.112 -9.831 -1.387 68 H PHE 11 HN PHE 11 0.559 -6.162 -3.050 69 HA PHE 11 HA PHE 11 -0.519 -4.704 -4.264 70 HB2 PHE 11 2HB PHE 11 -2.621 -6.852 -4.461 71 HB3 PHE 11 1HB PHE 11 -2.685 -5.346 -5.373 72 HD1 PHE 11 1HD PHE 11 -1.059 -4.881 -7.127 73 HD2 PHE 11 2HD PHE 11 -1.029 -8.582 -5.025 74 HE1 PHE 11 1HE PHE 11 0.402 -5.849 -8.850 75 HE2 PHE 11 2HE PHE 11 0.432 -9.552 -6.745 76 HZ PHE 11 HZ PHE 11 1.150 -8.187 -8.660 77 H LEU 12 HN LEU 12 -0.569 -3.181 -2.848 78 HA LEU 12 HA LEU 12 -3.200 -2.396 -1.835 79 HB2 LEU 12 2HB LEU 12 -0.631 -2.381 -0.281 80 HB3 LEU 12 1HB LEU 12 -1.954 -1.324 0.142 81 HG LEU 12 HG LEU 12 -2.009 -3.106 1.657 82 HD11 LEU 12 1HD1 LEU 12 -4.135 -4.218 1.223 83 HD12 LEU 12 2HD1 LEU 12 -4.087 -3.636 -0.434 84 HD13 LEU 12 3HD1 LEU 12 -4.180 -2.486 0.903 85 HD21 LEU 12 1HD2 LEU 12 -2.088 -5.475 1.038 86 HD22 LEU 12 2HD2 LEU 12 -0.598 -4.709 0.494 87 HD23 LEU 12 3HD2 LEU 12 -1.893 -5.034 -0.659 88 H PHE 13 HN PHE 13 -3.266 -0.055 -1.384 89 HA PHE 13 HA PHE 13 -1.465 1.392 -3.183 90 HB2 PHE 13 2HB PHE 13 -3.927 1.408 -3.719 91 HB3 PHE 13 1HB PHE 13 -4.214 2.178 -2.166 92 HD1 PHE 13 1HD PHE 13 -2.428 2.604 -5.386 93 HD2 PHE 13 2HD PHE 13 -4.125 4.504 -1.976 94 HE1 PHE 13 1HE PHE 13 -2.089 4.793 -6.439 95 HE2 PHE 13 2HE PHE 13 -3.783 6.693 -3.027 96 HZ PHE 13 HZ PHE 13 -2.761 6.835 -5.263 97 H CYS 14 HN CYS 14 -0.731 3.522 -2.335 98 HA CYS 14 HA CYS 14 -0.689 3.455 0.593 99 HB2 CYS 14 2HB CYS 14 1.462 4.372 -1.279 100 HB3 CYS 14 1HB CYS 14 1.487 4.598 0.457 101 H ILE 15 HN ILE 15 -1.097 5.204 1.642 102 HA ILE 15 HA ILE 15 -1.078 7.728 0.292 103 HB ILE 15 HB ILE 15 -3.392 7.149 0.086 104 HG12 ILE 15 2HG1 ILE 15 -3.085 9.103 2.376 105 HG13 ILE 15 1HG1 ILE 15 -2.891 9.487 0.670 106 HG21 ILE 15 1HG2 ILE 15 -3.605 5.410 1.759 107 HG22 ILE 15 2HG2 ILE 15 -4.861 6.623 2.006 108 HG23 ILE 15 3HG2 ILE 15 -3.443 6.598 3.053 109 HD11 ILE 15 1HD1 ILE 15 -5.256 8.967 0.301 110 HD12 ILE 15 2HD1 ILE 15 -5.040 10.233 1.509 111 HD13 ILE 15 3HD1 ILE 15 -5.434 8.590 2.015 112 H GLU 16 HN GLU 16 0.305 8.757 1.297 113 HA GLU 16 HA GLU 16 1.584 9.762 2.816 114 HB2 GLU 16 2HB GLU 16 -0.802 9.252 4.490 115 HB3 GLU 16 1HB GLU 16 0.514 10.368 4.939 116 HG2 GLU 16 2HG GLU 16 -1.460 10.601 2.659 117 HG3 GLU 16 1HG GLU 16 -1.318 11.669 4.055 118 H GLY 17 HN GLY 17 1.651 6.894 2.558 119 HA2 GLY 17 2HA GLY 17 3.381 5.488 3.419 120 HA3 GLY 17 1HA GLY 17 3.237 6.327 4.958 121 H ILE 18 HN ILE 18 0.189 5.930 4.275 122 HA ILE 18 HA ILE 18 -0.043 3.513 5.848 123 HB ILE 18 HB ILE 18 -2.225 5.345 4.793 124 HG12 ILE 18 2HG1 ILE 18 -0.943 5.331 7.537 125 HG13 ILE 18 1HG1 ILE 18 -0.630 6.535 6.292 126 HG21 ILE 18 1HG2 ILE 18 -3.618 4.315 6.541 127 HG22 ILE 18 2HG2 ILE 18 -2.273 3.268 6.991 128 HG23 ILE 18 3HG2 ILE 18 -3.017 3.107 5.401 129 HD11 ILE 18 1HD1 ILE 18 -2.180 7.371 7.958 130 HD12 ILE 18 2HD1 ILE 18 -3.271 6.021 7.647 131 HD13 ILE 18 3HD1 ILE 18 -2.976 7.226 6.391 132 H CYS 19 HN CYS 19 -0.485 1.612 4.930 133 HA CYS 19 HA CYS 19 -0.973 1.480 2.085 134 HB2 CYS 19 2HB CYS 19 -0.817 -0.834 4.032 135 HB3 CYS 19 1HB CYS 19 -0.584 -0.836 2.304 136 H VAL 20 HN VAL 20 -2.983 1.496 1.336 137 HA VAL 20 HA VAL 20 -5.096 0.474 3.062 138 HB VAL 20 HB VAL 20 -6.675 2.096 2.012 139 HG11 VAL 20 1HG1 VAL 20 -5.712 2.606 4.176 140 HG12 VAL 20 2HG1 VAL 20 -5.903 4.085 3.232 141 HG13 VAL 20 3HG1 VAL 20 -4.311 3.344 3.401 142 HG21 VAL 20 1HG2 VAL 20 -4.174 3.308 0.815 143 HG22 VAL 20 2HG2 VAL 20 -5.775 4.047 0.791 144 HG23 VAL 20 3HG2 VAL 20 -5.487 2.538 -0.076 145 HA PRO 21 HA PRO 21 -6.021 -2.206 -0.393 146 HB2 PRO 21 2HB PRO 21 -8.738 -2.405 0.684 147 HB3 PRO 21 1HB PRO 21 -7.511 -3.664 0.530 148 HG2 PRO 21 2HG PRO 21 -8.273 -2.650 2.920 149 HG3 PRO 21 1HG PRO 21 -6.637 -3.248 2.602 150 HD2 PRO 21 2HD PRO 21 -7.632 -0.441 2.752 151 HD3 PRO 21 1HD PRO 21 -6.094 -1.152 3.282 152 H MET 22 HN MET 22 -6.353 -1.276 -2.329 153 HA MET 22 HA MET 22 -8.412 0.656 -2.579 154 HB2 MET 22 2HB MET 22 -6.126 1.191 -3.362 155 HB3 MET 22 1HB MET 22 -6.263 -0.160 -4.493 156 HG2 MET 22 2HG MET 22 -8.025 0.982 -5.677 157 HG3 MET 22 1HG MET 22 -7.935 2.330 -4.543 158 HE1 MET 22 1HE MET 22 -6.432 3.874 -7.791 159 HE2 MET 22 2HE MET 22 -7.642 4.036 -6.517 160 HE3 MET 22 3HE MET 22 -7.756 2.714 -7.677 161 H ILE 23 HN ILE 23 -9.829 0.425 -4.468 162 HA ILE 23 HA ILE 23 -10.066 -2.340 -5.340 163 HB ILE 23 HB ILE 23 -11.923 -1.832 -3.886 164 HG12 ILE 23 2HG1 ILE 23 -12.874 -1.942 -6.761 165 HG13 ILE 23 1HG1 ILE 23 -12.348 -3.321 -5.806 166 HG21 ILE 23 1HG2 ILE 23 -12.643 0.453 -5.710 167 HG22 ILE 23 2HG2 ILE 23 -12.038 0.580 -4.064 168 HG23 ILE 23 3HG2 ILE 23 -13.627 -0.128 -4.366 169 HD11 ILE 23 1HD1 ILE 23 -14.771 -3.210 -5.957 170 HD12 ILE 23 2HD1 ILE 23 -14.753 -1.596 -5.245 171 HD13 ILE 23 3HD1 ILE 23 -14.236 -2.986 -4.292 172 HN1 NH2 24 HN1 NH2 24 -8.986 -2.252 -7.151 173 HN2 NH2 24 HN2 NH2 24 -9.365 -1.235 -8.496
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