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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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7568 |
1kqh ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1HT LYS 1 -13.719 -5.418 1.279 2 2H LYS 1 2HT LYS 1 -14.488 -3.963 1.673 3 H LYS 1 H LYS 1 -13.642 -4.005 2.466 4 3H LYS 1 3HT LYS 1 -13.054 -4.401 2.459 5 HA LYS 1 HA LYS 1 -12.805 -4.298 -0.400 6 1HB LYS 1 2HB LYS 1 -14.395 -2.339 0.671 7 2HB LYS 1 1HB LYS 1 -12.806 -1.612 0.845 8 1HG LYS 1 2HG LYS 1 -13.930 -2.651 -1.749 9 2HG LYS 1 1HG LYS 1 -13.991 -0.967 -1.232 10 1HD LYS 1 2HD LYS 1 -11.304 -1.907 -1.008 11 2HD LYS 1 1HD LYS 1 -11.917 -2.311 -2.612 12 1HE LYS 1 2HE LYS 1 -10.891 -0.139 -2.702 13 2HE LYS 1 1HE LYS 1 -12.634 0.052 -2.876 14 1HZ LYS 1 1HZ LYS 1 -11.274 1.565 -1.261 15 2HZ LYS 1 2HZ LYS 1 -11.447 0.260 -0.193 16 3HZ LYS 1 3HZ LYS 1 -12.819 1.028 -0.829 17 H CYS 2 H CYS 2 -10.629 -3.820 -0.860 18 HA CYS 2 HA CYS 2 -8.881 -2.799 1.156 19 1HB CYS 2 2HB CYS 2 -7.441 -4.807 1.302 20 2HB CYS 2 1HB CYS 2 -9.030 -5.054 2.009 21 H LEU 3 H LEU 3 -6.725 -2.548 0.411 22 HA LEU 3 HA LEU 3 -6.645 -1.938 -2.416 23 1HB LEU 3 2HB LEU 3 -4.622 -1.497 -0.225 24 2HB LEU 3 1HB LEU 3 -4.536 -0.831 -1.837 25 HG LEU 3 HG LEU 3 -6.656 -0.201 0.206 26 1HD1 LEU 3 1HD1 LEU 3 -4.910 1.916 -0.821 27 2HD1 LEU 3 2HD1 LEU 3 -4.105 0.708 0.182 28 3HD1 LEU 3 3HD1 LEU 3 -5.484 1.605 0.817 29 1HD2 LEU 3 1HD2 LEU 3 -7.488 1.423 -1.354 30 2HD2 LEU 3 2HD2 LEU 3 -7.441 -0.148 -2.154 31 3HD2 LEU 3 3HD2 LEU 3 -6.196 1.053 -2.497 32 H ALA 4 H ALA 4 -5.588 -3.081 -3.943 33 HA ALA 4 HA ALA 4 -4.447 -5.621 -3.247 34 1HB ALA 4 1HB ALA 4 -3.952 -5.284 -5.923 35 2HB ALA 4 2HB ALA 4 -5.381 -4.284 -5.661 36 3HB ALA 4 3HB ALA 4 -5.410 -5.993 -5.225 37 H GLU 5 H GLU 5 -2.467 -5.996 -5.113 38 HA GLU 5 HA GLU 5 -0.227 -4.894 -3.762 39 1HB GLU 5 2HB GLU 5 1.082 -6.040 -5.628 40 2HB GLU 5 1HB GLU 5 0.128 -7.057 -4.564 41 1HG GLU 5 2HG GLU 5 -1.068 -6.135 -7.130 42 2HG GLU 5 1HG GLU 5 0.133 -7.426 -7.153 43 H ALA 6 H ALA 6 1.062 -3.325 -4.223 44 HA ALA 6 HA ALA 6 1.926 -1.424 -5.083 45 1HB ALA 6 1HB ALA 6 2.805 -2.060 -7.036 46 2HB ALA 6 2HB ALA 6 1.374 -1.350 -7.783 47 3HB ALA 6 3HB ALA 6 1.418 -3.077 -7.425 48 H ALA 7 H ALA 7 -0.637 -1.362 -3.972 49 HA ALA 7 HA ALA 7 -2.049 0.569 -5.690 50 1HB ALA 7 1HB ALA 7 -2.981 -1.592 -4.138 51 2HB ALA 7 2HB ALA 7 -3.924 -0.441 -5.085 52 3HB ALA 7 3HB ALA 7 -3.581 -0.115 -3.385 53 H ASP 8 H ASP 8 -2.359 2.638 -5.077 54 HA ASP 8 HA ASP 8 -0.728 3.831 -3.135 55 1HB ASP 8 2HB ASP 8 -1.768 4.963 -5.135 56 2HB ASP 8 1HB ASP 8 -3.294 4.974 -4.262 57 H CYS 9 H CYS 9 -1.069 4.443 -1.024 58 HA CYS 9 HA CYS 9 -3.704 3.934 0.127 59 1HB CYS 9 2HB CYS 9 -2.414 2.952 2.162 60 2HB CYS 9 1HB CYS 9 -2.792 1.934 0.783 61 H SER 10 H SER 10 -4.206 5.004 1.936 62 HA SER 10 HA SER 10 -2.368 6.897 3.142 63 1HB SER 10 2HB SER 10 -4.877 7.747 1.669 64 2HB SER 10 1HB SER 10 -4.042 8.769 2.836 65 HG SER 10 HG SER 10 -2.841 7.668 0.503 66 HA PRO 11 HA PRO 11 -4.327 5.700 6.867 67 1HB PRO 11 2HB PRO 11 -4.567 8.273 7.988 68 2HB PRO 11 1HB PRO 11 -3.210 7.161 8.179 69 1HG PRO 11 2HG PRO 11 -3.531 9.456 6.306 70 2HG PRO 11 1HG PRO 11 -2.075 8.866 7.120 71 1HD PRO 11 2HD PRO 11 -2.469 8.399 4.535 72 2HD PRO 11 1HD PRO 11 -1.752 7.157 5.585 73 H TRP 12 H TRP 12 -5.725 8.703 5.514 74 HA TRP 12 HA TRP 12 -8.360 7.722 6.375 75 1HB TRP 12 2HB TRP 12 -7.532 10.550 5.681 76 2HB TRP 12 1HB TRP 12 -9.133 10.052 6.215 77 HD1 TRP 12 HD TRP 12 -9.364 9.282 8.813 78 HE1 TRP 12 1HE TRP 12 -7.986 9.943 10.882 79 HE3 TRP 12 3HE TRP 12 -5.233 11.173 6.468 80 HZ2 TRP 12 2HZ TRP 12 -5.482 11.118 11.447 81 HZ3 TRP 12 3HZ TRP 12 -3.394 12.052 7.847 82 HH2 TRP 12 HH TRP 12 -3.518 12.024 10.285 83 H SER 13 H SER 13 -6.777 9.460 3.718 84 HA SER 13 HA SER 13 -8.967 8.998 1.919 85 1HB SER 13 2HB SER 13 -6.199 9.998 1.236 86 2HB SER 13 1HB SER 13 -7.694 10.269 0.341 87 HG SER 13 HG SER 13 -7.750 12.040 1.482 88 H GLY 14 H GLY 14 -8.508 6.518 2.581 89 1HA GLY 14 2HA GLY 14 -7.532 5.311 0.171 90 2HA GLY 14 1HA GLY 14 -6.441 5.056 1.521 91 H ASP 15 H ASP 15 -6.670 2.994 1.976 92 HA ASP 15 HA ASP 15 -9.012 2.029 3.278 93 1HB ASP 15 2HB ASP 15 -9.523 1.821 0.737 94 2HB ASP 15 1HB ASP 15 -8.300 0.565 0.732 95 H SER 16 H SER 16 -8.654 -0.417 3.741 96 HA SER 16 HA SER 16 -5.918 -0.694 4.642 97 1HB SER 16 2HB SER 16 -8.078 -2.781 4.813 98 2HB SER 16 1HB SER 16 -6.651 -2.624 5.825 99 HG SER 16 HG SER 16 -8.610 -0.594 5.725 100 H CYS 17 H CYS 17 -4.420 -2.093 3.816 101 HA CYS 17 HA CYS 17 -4.771 -2.899 1.093 102 1HB CYS 17 2HB CYS 17 -2.510 -3.742 2.911 103 2HB CYS 17 1HB CYS 17 -2.491 -3.587 1.159 104 H CYS 18 H CYS 18 -5.048 -4.948 0.268 105 HA CYS 18 HA CYS 18 -6.333 -6.929 1.823 106 1HB CYS 18 2HB CYS 18 -4.919 -7.319 -0.835 107 2HB CYS 18 1HB CYS 18 -6.173 -8.344 -0.154 108 H LYS 19 H LYS 19 -5.508 -8.926 2.566 109 HA LYS 19 HA LYS 19 -2.702 -8.752 3.228 110 1HB LYS 19 2HB LYS 19 -4.672 -10.885 4.018 111 2HB LYS 19 1HB LYS 19 -3.103 -10.587 4.721 112 1HG LYS 19 2HG LYS 19 -5.432 -8.692 4.831 113 2HG LYS 19 1HG LYS 19 -4.890 -9.741 6.145 114 1HD LYS 19 2HD LYS 19 -2.785 -8.582 6.273 115 2HD LYS 19 1HD LYS 19 -3.175 -7.629 4.841 116 1HE LYS 19 2HE LYS 19 -4.691 -7.548 7.447 117 2HE LYS 19 1HE LYS 19 -3.471 -6.376 6.951 118 1HZ LYS 19 1HZ LYS 19 -6.109 -6.879 5.699 119 2HZ LYS 19 2HZ LYS 19 -4.904 -5.955 4.950 120 3HZ LYS 19 3HZ LYS 19 -5.564 -5.454 6.428 121 HA PRO 20 HA PRO 20 -1.333 -9.979 3.946 122 1HB PRO 20 2HB PRO 20 1.104 -11.027 3.596 123 2HB PRO 20 1HB PRO 20 -0.278 -12.037 4.034 124 1HG PRO 20 2HG PRO 20 1.124 -11.784 1.436 125 2HG PRO 20 1HG PRO 20 0.242 -13.163 2.109 126 1HD PRO 20 2HD PRO 20 -0.703 -11.223 0.226 127 2HD PRO 20 1HD PRO 20 -1.609 -12.567 0.949 128 H TYR 21 H TYR 21 -1.522 -8.375 1.390 129 HA TYR 21 HA TYR 21 1.087 -7.236 0.971 130 1HB TYR 21 2HB TYR 21 -1.525 -5.938 0.159 131 2HB TYR 21 1HB TYR 21 0.065 -5.744 -0.564 132 HD1 TYR 21 1HD TYR 21 0.931 -7.351 -2.131 133 HD2 TYR 21 2HD TYR 21 -2.873 -7.943 -0.333 134 HE1 TYR 21 1HE TYR 21 0.421 -9.079 -3.798 135 HE2 TYR 21 2HE TYR 21 -3.395 -9.680 -1.995 136 HH TYR 21 HH TYR 21 -1.818 -10.049 -4.820 137 H LEU 22 H LEU 22 1.841 -5.239 1.659 138 HA LEU 22 HA LEU 22 0.297 -3.989 3.833 139 1HB LEU 22 2HB LEU 22 2.045 -5.386 4.773 140 2HB LEU 22 1HB LEU 22 3.248 -4.601 3.771 141 HG LEU 22 HG LEU 22 2.791 -2.468 4.991 142 1HD1 LEU 22 1HD1 LEU 22 1.657 -2.812 7.254 143 2HD1 LEU 22 2HD1 LEU 22 0.970 -4.275 6.546 144 3HD1 LEU 22 3HD1 LEU 22 0.622 -2.702 5.830 145 1HD2 LEU 22 1HD2 LEU 22 3.550 -3.880 7.292 146 2HD2 LEU 22 2HD2 LEU 22 4.601 -3.122 6.097 147 3HD2 LEU 22 3HD2 LEU 22 4.148 -4.817 5.923 148 H CYS 23 H CYS 23 0.335 -1.806 3.979 149 HA CYS 23 HA CYS 23 1.021 -0.279 1.686 150 1HB CYS 23 2HB CYS 23 -0.859 0.303 3.175 151 2HB CYS 23 1HB CYS 23 0.276 0.631 4.478 152 H SER 24 H SER 24 2.965 0.529 1.162 153 HA SER 24 HA SER 24 4.984 0.636 3.277 154 1HB SER 24 2HB SER 24 6.644 0.707 1.432 155 2HB SER 24 1HB SER 24 5.626 -0.729 1.378 156 HG SER 24 HG SER 24 4.331 0.453 -0.195 157 H CYS 25 H CYS 25 5.625 2.455 4.074 158 HA CYS 25 HA CYS 25 5.195 4.962 2.588 159 1HB CYS 25 2HB CYS 25 4.932 4.370 5.540 160 2HB CYS 25 1HB CYS 25 5.156 6.006 4.938 161 H ILE 26 H ILE 26 7.390 4.109 1.810 162 HA ILE 26 HA ILE 26 9.622 4.141 3.558 163 HB ILE 26 HB ILE 26 10.961 4.221 1.413 164 1HG1 ILE 26 2HG1 ILE 26 8.211 3.943 0.173 165 2HG1 ILE 26 1HG1 ILE 26 9.229 5.374 0.055 166 1HG2 ILE 26 1HG2 ILE 26 8.886 2.083 1.840 167 2HG2 ILE 26 2HG2 ILE 26 10.512 2.148 2.518 168 3HG2 ILE 26 3HG2 ILE 26 10.288 1.913 0.784 169 1HD1 ILE 26 1HD1 ILE 26 10.569 4.453 -1.505 170 2HD1 ILE 26 2HD1 ILE 26 9.133 3.480 -1.819 171 3HD1 ILE 26 3HD1 ILE 26 10.436 2.831 -0.824 172 H PHE 27 H PHE 27 8.362 6.503 4.084 173 HA PHE 27 HA PHE 27 8.709 8.715 4.402 174 1HB PHE 27 2HB PHE 27 11.490 7.828 3.671 175 2HB PHE 27 1HB PHE 27 11.134 9.499 4.082 176 HD1 PHE 27 1HD PHE 27 11.828 10.034 6.189 177 HD2 PHE 27 2HD PHE 27 10.158 6.179 5.508 178 HE1 PHE 27 1HE PHE 27 12.089 9.503 8.576 179 HE2 PHE 27 2HE PHE 27 10.413 5.644 7.896 180 HZ PHE 27 HZ PHE 27 11.379 7.307 9.433 181 H PHE 28 H PHE 28 8.020 7.672 1.659 182 HA PHE 28 HA PHE 28 8.495 10.199 0.264 183 1HB PHE 28 2HB PHE 28 8.994 7.444 -0.816 184 2HB PHE 28 1HB PHE 28 8.535 8.747 -1.896 185 HD1 PHE 28 1HD PHE 28 11.051 7.933 0.741 186 HD2 PHE 28 2HD PHE 28 10.165 10.058 -2.837 187 HE1 PHE 28 1HE PHE 28 13.397 8.655 0.593 188 HE2 PHE 28 2HE PHE 28 12.511 10.782 -2.992 189 HZ PHE 28 HZ PHE 28 14.131 10.081 -1.275 190 H TYR 29 H TYR 29 6.815 10.951 -0.849 191 HA TYR 29 HA TYR 29 4.252 9.632 -0.453 192 1HB TYR 29 2HB TYR 29 4.539 12.053 0.090 193 2HB TYR 29 1HB TYR 29 4.881 12.365 -1.607 194 HD1 TYR 29 1HD TYR 29 2.235 10.771 0.508 195 HD2 TYR 29 2HD TYR 29 3.145 13.106 -2.931 196 HE1 TYR 29 1HE TYR 29 -0.168 11.067 0.079 197 HE2 TYR 29 2HE TYR 29 0.746 13.408 -3.368 198 HH TYR 29 HH TYR 29 -1.611 11.562 -2.050 199 HA PRO 30 HA PRO 30 2.578 9.174 -1.053 200 1HB PRO 30 2HB PRO 30 0.774 7.714 -2.398 201 2HB PRO 30 1HB PRO 30 0.926 9.456 -2.638 202 1HG PRO 30 2HG PRO 30 1.658 7.258 -4.442 203 2HG PRO 30 1HG PRO 30 1.386 8.968 -4.811 204 1HD PRO 30 2HD PRO 30 3.900 7.569 -4.366 205 2HD PRO 30 1HD PRO 30 3.633 9.226 -4.948 206 H CYS 31 H CYS 31 1.632 7.254 0.026 207 HA CYS 31 HA CYS 31 3.541 5.093 0.157 208 1HB CYS 31 2HB CYS 31 0.923 5.507 1.617 209 2HB CYS 31 1HB CYS 31 2.076 4.229 1.961 210 H SER 32 H SER 32 2.996 2.851 -0.254 211 HA SER 32 HA SER 32 0.476 2.366 -1.615 212 1HB SER 32 2HB SER 32 1.852 1.278 -3.547 213 2HB SER 32 1HB SER 32 1.598 3.024 -3.540 214 HG SER 32 HG SER 32 3.674 3.214 -2.536 215 H CYS 33 H CYS 33 -0.269 0.347 -1.346 216 HA CYS 33 HA CYS 33 1.064 -1.441 0.410 217 1HB CYS 33 2HB CYS 33 -1.205 -2.243 -1.410 218 2HB CYS 33 1HB CYS 33 -0.809 -2.864 0.183 219 H ARG 34 H ARG 34 2.429 -3.016 -0.028 220 HA ARG 34 HA ARG 34 2.871 -3.744 -2.851 221 1HB ARG 34 2HB ARG 34 4.897 -3.623 -0.609 222 2HB ARG 34 1HB ARG 34 5.231 -4.110 -2.261 223 1HG ARG 34 2HG ARG 34 4.185 -1.391 -1.526 224 2HG ARG 34 1HG ARG 34 5.904 -1.772 -1.666 225 1HD ARG 34 2HD ARG 34 5.737 -2.208 -3.958 226 2HD ARG 34 1HD ARG 34 3.981 -2.360 -3.891 227 HE ARG 34 HE ARG 34 4.576 0.231 -3.115 228 1HH1 ARG 34 1HH1 ARG 34 5.050 -1.744 -5.964 229 2HH1 ARG 34 2HH1 ARG 34 4.899 -0.420 -7.068 230 1HH2 ARG 34 1HH2 ARG 34 4.355 1.979 -4.553 231 2HH2 ARG 34 2HH2 ARG 34 4.508 1.711 -6.263 232 HA PRO 35 HA PRO 35 2.129 -7.958 -1.813 233 1HB PRO 35 2HB PRO 35 4.170 -9.213 -3.172 234 2HB PRO 35 1HB PRO 35 2.671 -8.657 -3.922 235 1HG PRO 35 2HG PRO 35 5.365 -7.377 -3.885 236 2HG PRO 35 1HG PRO 35 4.168 -7.442 -5.191 237 1HD PRO 35 2HD PRO 35 4.546 -5.241 -3.667 238 2HD PRO 35 1HD PRO 35 2.963 -5.669 -4.336 239 H LYS 36 H LYS 36 2.855 -9.564 -0.349 240 HA LYS 36 HA LYS 36 4.930 -8.621 1.370 241 1HB LYS 36 2HB LYS 36 2.813 -9.740 2.189 242 2HB LYS 36 1HB LYS 36 3.510 -11.264 1.642 243 1HG LYS 36 2HG LYS 36 3.834 -10.740 4.082 244 2HG LYS 36 1HG LYS 36 5.311 -11.101 3.183 245 1HD LYS 36 2HD LYS 36 5.500 -8.558 2.857 246 2HD LYS 36 1HD LYS 36 4.300 -8.437 4.143 247 1HE LYS 36 2HE LYS 36 5.747 -9.476 5.710 248 2HE LYS 36 1HE LYS 36 6.869 -9.975 4.446 249 1HZ LYS 36 1HZ LYS 36 7.685 -7.833 4.193 250 2HZ LYS 36 2HZ LYS 36 7.446 -7.934 5.869 251 3HZ LYS 36 3HZ LYS 36 6.324 -7.113 4.908 252 H GLY 37 H GLY 37 6.808 -9.545 1.834 253 1HA GLY 37 2HA GLY 37 8.186 -11.708 1.359 254 2HA GLY 37 1HA GLY 37 8.026 -11.117 -0.300 255 H TRP 38 H TRP 38 7.934 -8.390 0.449 256 HA TRP 38 HA TRP 38 10.763 -7.843 0.752 257 1HB TRP 38 2HB TRP 38 8.377 -6.064 0.165 258 2HB TRP 38 1HB TRP 38 10.019 -5.460 0.340 259 HD1 TRP 38 HD TRP 38 11.334 -5.244 -1.828 260 HE1 TRP 38 1HE TRP 38 11.134 -6.164 -4.220 261 HE3 TRP 38 3HE TRP 38 7.365 -8.406 -1.166 262 HZ2 TRP 38 2HZ TRP 38 9.510 -7.975 -5.644 263 HZ3 TRP 38 3HZ TRP 38 6.549 -9.688 -3.098 264 HH2 TRP 38 HH TRP 38 7.598 -9.475 -5.291 Start of MODEL 2 1 1H LYS 1 1HT LYS 1 -13.550 -5.808 -0.263 2 2H LYS 1 2HT LYS 1 -14.521 -4.436 -0.085 3 H LYS 1 H LYS 1 -13.503 -4.630 0.986 4 3H LYS 1 3HT LYS 1 -13.232 -4.704 0.979 5 HA LYS 1 HA LYS 1 -12.451 -4.648 -1.776 6 1HB LYS 1 2HB LYS 1 -12.657 -2.179 -1.948 7 2HB LYS 1 1HB LYS 1 -14.217 -2.984 -1.897 8 1HG LYS 1 2HG LYS 1 -14.381 -2.420 0.509 9 2HG LYS 1 1HG LYS 1 -12.872 -1.516 0.361 10 1HD LYS 1 2HD LYS 1 -13.943 -0.115 -1.387 11 2HD LYS 1 1HD LYS 1 -15.459 -0.967 -1.093 12 1HE LYS 1 2HE LYS 1 -15.485 1.112 0.116 13 2HE LYS 1 1HE LYS 1 -15.368 -0.217 1.268 14 1HZ LYS 1 1HZ LYS 1 -12.949 1.181 0.294 15 2HZ LYS 1 2HZ LYS 1 -13.142 0.256 1.697 16 3HZ LYS 1 3HZ LYS 1 -13.849 1.790 1.596 17 H CYS 2 H CYS 2 -10.317 -4.022 -1.887 18 HA CYS 2 HA CYS 2 -8.965 -2.755 0.306 19 1HB CYS 2 2HB CYS 2 -7.427 -4.685 0.721 20 2HB CYS 2 1HB CYS 2 -9.073 -4.952 1.280 21 H LEU 3 H LEU 3 -6.707 -2.435 -0.160 22 HA LEU 3 HA LEU 3 -6.303 -1.865 -2.946 23 1HB LEU 3 2HB LEU 3 -4.469 -1.517 -0.576 24 2HB LEU 3 1HB LEU 3 -4.234 -0.820 -2.162 25 HG LEU 3 HG LEU 3 -6.520 -0.182 -0.306 26 1HD1 LEU 3 1HD1 LEU 3 -5.368 1.564 0.491 27 2HD1 LEU 3 2HD1 LEU 3 -4.614 1.909 -1.066 28 3HD1 LEU 3 3HD1 LEU 3 -3.956 0.643 -0.028 29 1HD2 LEU 3 1HD2 LEU 3 -7.188 0.030 -2.623 30 2HD2 LEU 3 2HD2 LEU 3 -5.747 0.982 -2.979 31 3HD2 LEU 3 3HD2 LEU 3 -6.991 1.631 -1.910 32 H ALA 4 H ALA 4 -5.275 -3.105 -4.376 33 HA ALA 4 HA ALA 4 -4.182 -5.637 -3.579 34 1HB ALA 4 1HB ALA 4 -4.506 -6.259 -5.710 35 2HB ALA 4 2HB ALA 4 -3.808 -4.776 -6.360 36 3HB ALA 4 3HB ALA 4 -5.476 -4.789 -5.790 37 H GLU 5 H GLU 5 -2.232 -5.953 -5.559 38 HA GLU 5 HA GLU 5 0.067 -5.144 -4.166 39 1HB GLU 5 2HB GLU 5 1.287 -6.035 -6.192 40 2HB GLU 5 1HB GLU 5 0.219 -7.161 -5.375 41 1HG GLU 5 2HG GLU 5 -0.716 -5.616 -7.762 42 2HG GLU 5 1HG GLU 5 0.236 -7.087 -7.945 43 H ALA 6 H ALA 6 1.256 -3.444 -4.244 44 HA ALA 6 HA ALA 6 2.143 -1.435 -4.779 45 1HB ALA 6 1HB ALA 6 2.705 -0.967 -7.053 46 2HB ALA 6 2HB ALA 6 1.470 -2.079 -7.644 47 3HB ALA 6 3HB ALA 6 2.888 -2.703 -6.800 48 H ALA 7 H ALA 7 -0.475 -1.431 -3.905 49 HA ALA 7 HA ALA 7 -1.746 0.624 -5.596 50 1HB ALA 7 1HB ALA 7 -3.502 -0.220 -3.530 51 2HB ALA 7 2HB ALA 7 -2.805 -1.654 -4.286 52 3HB ALA 7 3HB ALA 7 -3.650 -0.460 -5.272 53 H ASP 8 H ASP 8 -1.589 2.651 -4.947 54 HA ASP 8 HA ASP 8 -0.341 3.457 -2.595 55 1HB ASP 8 2HB ASP 8 -2.196 5.014 -4.402 56 2HB ASP 8 1HB ASP 8 -1.183 5.730 -3.150 57 H CYS 9 H CYS 9 -0.953 3.666 -0.596 58 HA CYS 9 HA CYS 9 -3.756 3.288 0.115 59 1HB CYS 9 2HB CYS 9 -2.120 3.536 2.427 60 2HB CYS 9 1HB CYS 9 -2.897 2.087 1.795 61 H SER 10 H SER 10 -4.948 4.770 1.237 62 HA SER 10 HA SER 10 -4.081 7.507 1.053 63 1HB SER 10 2HB SER 10 -6.595 6.454 2.355 64 2HB SER 10 1HB SER 10 -6.320 8.059 1.672 65 HG SER 10 HG SER 10 -5.829 6.511 -0.305 66 HA PRO 11 HA PRO 11 -2.237 7.560 5.092 67 1HB PRO 11 2HB PRO 11 -1.924 10.252 5.296 68 2HB PRO 11 1HB PRO 11 -0.893 9.227 4.291 69 1HG PRO 11 2HG PRO 11 -3.258 10.886 3.493 70 2HG PRO 11 1HG PRO 11 -1.681 10.746 2.703 71 1HD PRO 11 2HD PRO 11 -3.825 9.413 1.802 72 2HD PRO 11 1HD PRO 11 -2.197 8.702 1.745 73 H TRP 12 H TRP 12 -4.674 10.138 4.560 74 HA TRP 12 HA TRP 12 -5.304 10.194 7.358 75 1HB TRP 12 2HB TRP 12 -6.679 11.556 5.035 76 2HB TRP 12 1HB TRP 12 -6.986 11.883 6.738 77 HD1 TRP 12 HD TRP 12 -4.875 12.997 8.131 78 HE1 TRP 12 1HE TRP 12 -3.068 14.636 7.311 79 HE3 TRP 12 3HE TRP 12 -5.329 12.254 3.093 80 HZ2 TRP 12 2HZ TRP 12 -1.985 15.506 4.854 81 HZ3 TRP 12 3HZ TRP 12 -3.875 13.535 1.577 82 HH2 TRP 12 HH TRP 12 -2.238 15.127 2.440 83 H SER 13 H SER 13 -7.114 9.260 4.436 84 HA SER 13 HA SER 13 -8.483 7.185 5.888 85 1HB SER 13 2HB SER 13 -10.065 9.551 4.840 86 2HB SER 13 1HB SER 13 -10.766 8.048 5.438 87 HG SER 13 HG SER 13 -9.048 9.028 7.256 88 H GLY 14 H GLY 14 -9.044 5.570 4.543 89 1HA GLY 14 2HA GLY 14 -9.905 5.865 1.883 90 2HA GLY 14 1HA GLY 14 -8.178 5.531 1.883 91 H ASP 15 H ASP 15 -8.354 3.488 0.963 92 HA ASP 15 HA ASP 15 -9.935 1.508 2.426 93 1HB ASP 15 2HB ASP 15 -9.236 1.829 -0.345 94 2HB ASP 15 1HB ASP 15 -8.713 0.251 0.230 95 H SER 16 H SER 16 -9.019 -0.567 2.881 96 HA SER 16 HA SER 16 -6.298 -0.304 3.876 97 1HB SER 16 2HB SER 16 -8.236 -2.565 4.352 98 2HB SER 16 1HB SER 16 -6.777 -2.200 5.271 99 HG SER 16 HG SER 16 -8.413 -0.056 5.185 100 H CYS 17 H CYS 17 -4.674 -1.830 3.446 101 HA CYS 17 HA CYS 17 -4.603 -2.777 0.767 102 1HB CYS 17 2HB CYS 17 -2.755 -3.588 3.024 103 2HB CYS 17 1HB CYS 17 -2.411 -3.622 1.300 104 H CYS 18 H CYS 18 -4.751 -4.873 -0.026 105 HA CYS 18 HA CYS 18 -6.363 -6.741 1.396 106 1HB CYS 18 2HB CYS 18 -4.630 -7.195 -1.056 107 2HB CYS 18 1HB CYS 18 -5.900 -8.267 -0.484 108 H LYS 19 H LYS 19 -5.748 -8.690 2.348 109 HA LYS 19 HA LYS 19 -3.111 -8.625 3.478 110 1HB LYS 19 2HB LYS 19 -3.883 -10.664 4.689 111 2HB LYS 19 1HB LYS 19 -4.884 -9.255 4.941 112 1HG LYS 19 2HG LYS 19 -6.482 -10.860 4.656 113 2HG LYS 19 1HG LYS 19 -6.297 -10.307 2.992 114 1HD LYS 19 2HD LYS 19 -4.746 -12.172 2.566 115 2HD LYS 19 1HD LYS 19 -4.984 -12.733 4.222 116 1HE LYS 19 2HE LYS 19 -7.151 -12.473 2.139 117 2HE LYS 19 1HE LYS 19 -6.348 -13.976 2.585 118 1HZ LYS 19 1HZ LYS 19 -8.344 -13.924 3.791 119 2HZ LYS 19 2HZ LYS 19 -8.140 -12.308 4.249 120 3HZ LYS 19 3HZ LYS 19 -7.148 -13.506 4.913 121 HA PRO 20 HA PRO 20 -1.664 -9.552 4.208 122 1HB PRO 20 2HB PRO 20 0.742 -10.717 4.217 123 2HB PRO 20 1HB PRO 20 -0.720 -11.637 4.588 124 1HG PRO 20 2HG PRO 20 1.001 -11.753 2.204 125 2HG PRO 20 1HG PRO 20 -0.157 -12.947 2.811 126 1HD PRO 20 2HD PRO 20 -0.527 -10.918 0.746 127 2HD PRO 20 1HD PRO 20 -1.597 -12.264 1.192 128 H TYR 21 H TYR 21 -1.608 -8.034 1.699 129 HA TYR 21 HA TYR 21 1.072 -7.158 1.196 130 1HB TYR 21 2HB TYR 21 -1.499 -5.693 0.516 131 2HB TYR 21 1HB TYR 21 0.092 -5.388 -0.154 132 HD1 TYR 21 1HD TYR 21 -2.212 -8.341 0.198 133 HD2 TYR 21 2HD TYR 21 0.442 -6.127 -2.274 134 HE1 TYR 21 1HE TYR 21 -2.666 -9.885 -1.660 135 HE2 TYR 21 2HE TYR 21 -0.004 -7.663 -4.134 136 HH TYR 21 HH TYR 21 -1.844 -9.194 -4.849 137 H LEU 22 H LEU 22 2.086 -5.321 1.876 138 HA LEU 22 HA LEU 22 0.871 -4.012 4.217 139 1HB LEU 22 2HB LEU 22 2.736 -5.434 4.830 140 2HB LEU 22 1HB LEU 22 3.760 -4.652 3.641 141 HG LEU 22 HG LEU 22 3.562 -2.531 4.941 142 1HD1 LEU 22 1HD1 LEU 22 2.722 -3.828 7.397 143 2HD1 LEU 22 2HD1 LEU 22 1.450 -3.805 6.176 144 3HD1 LEU 22 3HD1 LEU 22 2.206 -2.296 6.691 145 1HD2 LEU 22 1HD2 LEU 22 4.947 -4.963 5.710 146 2HD2 LEU 22 2HD2 LEU 22 4.711 -3.863 7.067 147 3HD2 LEU 22 3HD2 LEU 22 5.540 -3.305 5.614 148 H CYS 23 H CYS 23 0.759 -1.853 4.253 149 HA CYS 23 HA CYS 23 1.316 -0.355 1.890 150 1HB CYS 23 2HB CYS 23 -0.577 0.166 3.403 151 2HB CYS 23 1HB CYS 23 0.567 0.613 4.663 152 H SER 24 H SER 24 3.216 0.522 1.335 153 HA SER 24 HA SER 24 5.267 0.730 3.414 154 1HB SER 24 2HB SER 24 6.876 0.841 1.500 155 2HB SER 24 1HB SER 24 5.944 -0.653 1.566 156 HG SER 24 HG SER 24 4.475 0.561 0.039 157 H CYS 25 H CYS 25 5.943 2.588 4.134 158 HA CYS 25 HA CYS 25 5.306 5.045 2.644 159 1HB CYS 25 2HB CYS 25 5.535 4.573 5.626 160 2HB CYS 25 1HB CYS 25 5.452 6.174 4.902 161 H ILE 26 H ILE 26 7.399 4.209 1.606 162 HA ILE 26 HA ILE 26 9.848 4.410 3.025 163 HB ILE 26 HB ILE 26 10.877 4.421 0.714 164 1HG1 ILE 26 2HG1 ILE 26 7.995 3.986 -0.117 165 2HG1 ILE 26 1HG1 ILE 26 8.935 5.438 -0.450 166 1HG2 ILE 26 1HG2 ILE 26 10.494 2.094 0.410 167 2HG2 ILE 26 2HG2 ILE 26 8.937 2.180 1.235 168 3HG2 ILE 26 3HG2 ILE 26 10.430 2.417 2.143 169 1HD1 ILE 26 1HD1 ILE 26 9.845 2.744 -1.387 170 2HD1 ILE 26 2HD1 ILE 26 10.300 4.340 -1.984 171 3HD1 ILE 26 3HD1 ILE 26 8.686 3.704 -2.307 172 H PHE 27 H PHE 27 8.574 6.744 3.611 173 HA PHE 27 HA PHE 27 8.871 8.977 3.786 174 1HB PHE 27 2HB PHE 27 11.543 8.158 2.680 175 2HB PHE 27 1HB PHE 27 11.179 9.840 3.034 176 HD1 PHE 27 1HD PHE 27 10.546 6.607 4.811 177 HD2 PHE 27 2HD PHE 27 12.188 10.531 4.961 178 HE1 PHE 27 1HE PHE 27 11.172 6.251 7.163 179 HE2 PHE 27 2HE PHE 27 12.817 10.181 7.313 180 HZ PHE 27 HZ PHE 27 12.310 8.039 8.417 181 H PHE 28 H PHE 28 7.816 7.784 1.219 182 HA PHE 28 HA PHE 28 8.031 10.252 -0.358 183 1HB PHE 28 2HB PHE 28 8.177 7.422 -1.335 184 2HB PHE 28 1HB PHE 28 7.555 8.683 -2.379 185 HD1 PHE 28 1HD PHE 28 10.502 8.249 -0.104 186 HD2 PHE 28 2HD PHE 28 9.037 9.482 -3.902 187 HE1 PHE 28 1HE PHE 28 12.790 8.829 -0.793 188 HE2 PHE 28 2HE PHE 28 11.322 10.064 -4.599 189 HZ PHE 28 HZ PHE 28 13.204 9.738 -3.043 190 H TYR 29 H TYR 29 6.172 11.076 -1.018 191 HA TYR 29 HA TYR 29 3.723 9.807 -0.090 192 1HB TYR 29 2HB TYR 29 4.243 12.236 0.388 193 2HB TYR 29 1HB TYR 29 4.044 12.547 -1.333 194 HD1 TYR 29 1HD TYR 29 2.157 10.758 1.362 195 HD2 TYR 29 2HD TYR 29 2.010 13.448 -1.931 196 HE1 TYR 29 1HE TYR 29 -0.263 11.023 1.696 197 HE2 TYR 29 2HE TYR 29 -0.412 13.723 -1.604 198 HH TYR 29 HH TYR 29 -2.112 13.403 -0.066 199 HA PRO 30 HA PRO 30 2.053 9.229 -0.276 200 1HB PRO 30 2HB PRO 30 0.075 7.658 -1.164 201 2HB PRO 30 1HB PRO 30 0.033 9.409 -1.388 202 1HG PRO 30 2HG PRO 30 0.466 7.280 -3.374 203 2HG PRO 30 1HG PRO 30 -0.062 8.952 -3.617 204 1HD PRO 30 2HD PRO 30 2.596 7.830 -3.907 205 2HD PRO 30 1HD PRO 30 2.037 9.470 -4.292 206 H CYS 31 H CYS 31 1.312 7.077 0.745 207 HA CYS 31 HA CYS 31 3.468 5.173 0.500 208 1HB CYS 31 2HB CYS 31 0.975 5.070 2.218 209 2HB CYS 31 1HB CYS 31 2.393 4.044 2.388 210 H SER 32 H SER 32 3.146 2.937 -0.134 211 HA SER 32 HA SER 32 0.563 2.399 -1.410 212 1HB SER 32 2HB SER 32 2.092 1.330 -3.300 213 2HB SER 32 1HB SER 32 1.627 3.031 -3.338 214 HG SER 32 HG SER 32 3.608 3.620 -2.719 215 H CYS 33 H CYS 33 -0.164 0.374 -1.252 216 HA CYS 33 HA CYS 33 1.062 -1.453 0.528 217 1HB CYS 33 2HB CYS 33 -1.089 -2.190 -1.454 218 2HB CYS 33 1HB CYS 33 -0.791 -2.874 0.130 219 H ARG 34 H ARG 34 2.508 -2.947 0.158 220 HA ARG 34 HA ARG 34 3.162 -3.661 -2.623 221 1HB ARG 34 2HB ARG 34 4.906 -3.691 -0.147 222 2HB ARG 34 1HB ARG 34 5.421 -4.186 -1.755 223 1HG ARG 34 2HG ARG 34 4.442 -1.423 -1.084 224 2HG ARG 34 1HG ARG 34 6.142 -1.902 -1.088 225 1HD ARG 34 2HD ARG 34 6.208 -2.154 -3.369 226 2HD ARG 34 1HD ARG 34 4.474 -2.455 -3.492 227 HE ARG 34 HE ARG 34 4.820 0.170 -2.602 228 1HH1 ARG 34 1HH1 ARG 34 5.538 -1.714 -5.464 229 2HH1 ARG 34 2HH1 ARG 34 5.319 -0.385 -6.553 230 1HH2 ARG 34 1HH2 ARG 34 4.506 1.926 -4.027 231 2HH2 ARG 34 2HH2 ARG 34 4.731 1.692 -5.735 232 HA PRO 35 HA PRO 35 1.921 -7.829 -1.788 233 1HB PRO 35 2HB PRO 35 4.232 -8.749 -3.356 234 2HB PRO 35 1HB PRO 35 2.508 -8.971 -3.667 235 1HG PRO 35 2HG PRO 35 4.067 -7.311 -5.131 236 2HG PRO 35 1HG PRO 35 2.340 -7.028 -4.862 237 1HD PRO 35 2HD PRO 35 4.696 -5.697 -3.633 238 2HD PRO 35 1HD PRO 35 3.094 -5.036 -4.014 239 H LYS 36 H LYS 36 2.527 -9.500 -0.363 240 HA LYS 36 HA LYS 36 4.810 -8.856 1.237 241 1HB LYS 36 2HB LYS 36 2.589 -9.743 2.137 242 2HB LYS 36 1HB LYS 36 3.128 -11.326 1.584 243 1HG LYS 36 2HG LYS 36 3.589 -10.843 3.995 244 2HG LYS 36 1HG LYS 36 5.010 -11.287 3.047 245 1HD LYS 36 2HD LYS 36 5.451 -8.823 2.753 246 2HD LYS 36 1HD LYS 36 4.176 -8.527 3.935 247 1HE LYS 36 2HE LYS 36 5.399 -9.670 5.641 248 2HE LYS 36 1HE LYS 36 6.592 -10.244 4.478 249 1HZ LYS 36 1HZ LYS 36 7.562 -8.171 4.301 250 2HZ LYS 36 2HZ LYS 36 7.132 -8.203 5.942 251 3HZ LYS 36 3HZ LYS 36 6.178 -7.350 4.839 252 H GLY 37 H GLY 37 6.626 -9.930 1.453 253 1HA GLY 37 2HA GLY 37 7.680 -12.263 0.946 254 2HA GLY 37 1HA GLY 37 7.387 -11.742 -0.712 255 H TRP 38 H TRP 38 8.200 -9.582 1.856 256 HA TRP 38 HA TRP 38 10.940 -9.455 1.719 257 1HB TRP 38 2HB TRP 38 11.259 -7.308 0.495 258 2HB TRP 38 1HB TRP 38 10.772 -8.624 -0.557 259 HD1 TRP 38 HD TRP 38 7.575 -7.746 0.775 260 HE1 TRP 38 1HE TRP 38 6.365 -5.988 -0.638 261 HE3 TRP 38 3HE TRP 38 11.544 -6.013 -1.944 262 HZ2 TRP 38 2HZ TRP 38 6.997 -4.099 -2.637 263 HZ3 TRP 38 3HZ TRP 38 11.152 -4.225 -3.586 264 HH2 TRP 38 HH TRP 38 8.924 -3.288 -3.924 Start of MODEL 3 1 1H LYS 1 1HT LYS 1 -14.370 -5.198 0.152 2 2H LYS 1 2HT LYS 1 -13.065 -5.291 1.226 3 H LYS 1 H LYS 1 -13.351 -5.309 1.229 4 3H LYS 1 3HT LYS 1 -12.982 -6.069 -0.275 5 HA LYS 1 HA LYS 1 -12.597 -4.164 -1.430 6 1HB LYS 1 2HB LYS 1 -14.682 -3.122 -0.604 7 2HB LYS 1 1HB LYS 1 -13.876 -2.704 0.900 8 1HG LYS 1 2HG LYS 1 -13.889 -0.738 -0.354 9 2HG LYS 1 1HG LYS 1 -12.251 -1.369 -0.521 10 1HD LYS 1 2HD LYS 1 -13.060 -2.457 -2.676 11 2HD LYS 1 1HD LYS 1 -14.492 -1.438 -2.525 12 1HE LYS 1 2HE LYS 1 -11.630 -0.600 -2.911 13 2HE LYS 1 1HE LYS 1 -13.018 -0.264 -3.944 14 1HZ LYS 1 1HZ LYS 1 -13.824 0.912 -1.726 15 2HZ LYS 1 2HZ LYS 1 -12.874 1.710 -2.871 16 3HZ LYS 1 3HZ LYS 1 -12.151 1.059 -1.483 17 H CYS 2 H CYS 2 -10.438 -3.988 -1.436 18 HA CYS 2 HA CYS 2 -9.018 -2.643 0.665 19 1HB CYS 2 2HB CYS 2 -7.469 -4.552 1.111 20 2HB CYS 2 1HB CYS 2 -9.099 -4.805 1.723 21 H LEU 3 H LEU 3 -6.753 -2.369 0.130 22 HA LEU 3 HA LEU 3 -6.432 -1.869 -2.684 23 1HB LEU 3 2HB LEU 3 -4.505 -1.507 -0.388 24 2HB LEU 3 1HB LEU 3 -4.307 -0.862 -2.003 25 HG LEU 3 HG LEU 3 -6.533 -0.107 -0.123 26 1HD1 LEU 3 1HD1 LEU 3 -4.457 1.840 -0.913 27 2HD1 LEU 3 2HD1 LEU 3 -3.979 0.598 0.245 28 3HD1 LEU 3 3HD1 LEU 3 -5.336 1.665 0.606 29 1HD2 LEU 3 1HD2 LEU 3 -7.249 0.159 -2.381 30 2HD2 LEU 3 2HD2 LEU 3 -5.716 0.899 -2.842 31 3HD2 LEU 3 3HD2 LEU 3 -6.823 1.759 -1.771 32 H ALA 4 H ALA 4 -5.430 -3.147 -4.118 33 HA ALA 4 HA ALA 4 -4.382 -5.685 -3.273 34 1HB ALA 4 1HB ALA 4 -5.763 -5.257 -5.353 35 2HB ALA 4 2HB ALA 4 -4.333 -6.271 -5.549 36 3HB ALA 4 3HB ALA 4 -4.297 -4.585 -6.066 37 H GLU 5 H GLU 5 -2.405 -6.082 -5.219 38 HA GLU 5 HA GLU 5 -0.149 -5.066 -3.825 39 1HB GLU 5 2HB GLU 5 1.110 -6.249 -5.714 40 2HB GLU 5 1HB GLU 5 0.140 -7.229 -4.626 41 1HG GLU 5 2HG GLU 5 -1.703 -6.954 -6.423 42 2HG GLU 5 1HG GLU 5 -0.357 -6.517 -7.478 43 H ALA 6 H ALA 6 1.122 -3.475 -4.230 44 HA ALA 6 HA ALA 6 2.025 -1.587 -5.087 45 1HB ALA 6 1HB ALA 6 1.254 -2.992 -7.614 46 2HB ALA 6 2HB ALA 6 2.859 -2.622 -6.983 47 3HB ALA 6 3HB ALA 6 1.863 -1.338 -7.669 48 H ALA 7 H ALA 7 -0.514 -1.472 -3.975 49 HA ALA 7 HA ALA 7 -1.938 0.416 -5.732 50 1HB ALA 7 1HB ALA 7 -3.601 -0.084 -3.578 51 2HB ALA 7 2HB ALA 7 -2.825 -1.636 -3.896 52 3HB ALA 7 3HB ALA 7 -3.706 -0.811 -5.182 53 H ASP 8 H ASP 8 -2.156 2.519 -5.203 54 HA ASP 8 HA ASP 8 -0.570 3.651 -3.164 55 1HB ASP 8 2HB ASP 8 -1.199 4.882 -5.214 56 2HB ASP 8 1HB ASP 8 -2.872 4.928 -4.663 57 H CYS 9 H CYS 9 -0.973 4.169 -1.123 58 HA CYS 9 HA CYS 9 -3.504 3.328 0.038 59 1HB CYS 9 2HB CYS 9 -1.201 4.468 1.587 60 2HB CYS 9 1HB CYS 9 -2.415 3.311 2.111 61 H SER 10 H SER 10 -4.710 4.688 1.442 62 HA SER 10 HA SER 10 -4.880 7.394 0.487 63 1HB SER 10 2HB SER 10 -6.426 6.054 2.717 64 2HB SER 10 1HB SER 10 -6.873 7.529 1.856 65 HG SER 10 HG SER 10 -6.462 5.675 0.030 66 HA PRO 11 HA PRO 11 -2.010 9.140 3.370 67 1HB PRO 11 2HB PRO 11 -3.028 11.712 3.265 68 2HB PRO 11 1HB PRO 11 -1.885 11.023 2.107 69 1HG PRO 11 2HG PRO 11 -4.861 11.276 1.915 70 2HG PRO 11 1HG PRO 11 -3.632 11.566 0.672 71 1HD PRO 11 2HD PRO 11 -5.052 9.316 0.676 72 2HD PRO 11 1HD PRO 11 -3.321 9.292 0.276 73 H TRP 12 H TRP 12 -5.328 10.452 3.771 74 HA TRP 12 HA TRP 12 -4.865 10.573 6.639 75 1HB TRP 12 2HB TRP 12 -7.259 11.479 5.025 76 2HB TRP 12 1HB TRP 12 -7.011 11.771 6.743 77 HD1 TRP 12 HD TRP 12 -4.966 13.476 7.392 78 HE1 TRP 12 1HE TRP 12 -4.009 15.478 6.089 79 HE3 TRP 12 3HE TRP 12 -6.805 12.382 2.746 80 HZ2 TRP 12 2HZ TRP 12 -4.037 16.468 3.447 81 HZ3 TRP 12 3HZ TRP 12 -6.299 13.913 0.887 82 HH2 TRP 12 HH TRP 12 -4.943 15.914 1.233 83 H SER 13 H SER 13 -7.415 9.275 4.516 84 HA SER 13 HA SER 13 -7.586 6.843 6.029 85 1HB SER 13 2HB SER 13 -9.901 8.803 6.129 86 2HB SER 13 1HB SER 13 -9.973 7.128 6.672 87 HG SER 13 HG SER 13 -7.872 8.395 7.798 88 H GLY 14 H GLY 14 -8.699 5.238 4.914 89 1HA GLY 14 2HA GLY 14 -10.502 5.559 2.834 90 2HA GLY 14 1HA GLY 14 -8.900 5.585 2.109 91 H ASP 15 H ASP 15 -9.045 3.653 1.036 92 HA ASP 15 HA ASP 15 -10.000 1.253 2.202 93 1HB ASP 15 2HB ASP 15 -8.508 1.932 -0.279 94 2HB ASP 15 1HB ASP 15 -8.488 0.264 0.257 95 H SER 16 H SER 16 -8.878 -0.562 2.848 96 HA SER 16 HA SER 16 -6.202 -0.022 3.917 97 1HB SER 16 2HB SER 16 -8.058 -2.276 4.683 98 2HB SER 16 1HB SER 16 -6.614 -1.747 5.538 99 HG SER 16 HG SER 16 -8.478 0.234 5.158 100 H CYS 17 H CYS 17 -4.539 -1.512 3.514 101 HA CYS 17 HA CYS 17 -4.575 -2.702 0.957 102 1HB CYS 17 2HB CYS 17 -2.631 -3.299 3.192 103 2HB CYS 17 1HB CYS 17 -2.359 -3.509 1.468 104 H CYS 18 H CYS 18 -4.869 -4.775 0.289 105 HA CYS 18 HA CYS 18 -6.320 -6.609 1.885 106 1HB CYS 18 2HB CYS 18 -4.722 -7.207 -0.624 107 2HB CYS 18 1HB CYS 18 -6.008 -8.196 0.051 108 H LYS 19 H LYS 19 -5.553 -8.744 2.588 109 HA LYS 19 HA LYS 19 -2.792 -8.505 3.496 110 1HB LYS 19 2HB LYS 19 -4.835 -10.510 4.432 111 2HB LYS 19 1HB LYS 19 -3.304 -10.117 5.176 112 1HG LYS 19 2HG LYS 19 -5.786 -8.444 5.081 113 2HG LYS 19 1HG LYS 19 -4.934 -9.064 6.495 114 1HD LYS 19 2HD LYS 19 -3.940 -6.945 4.586 115 2HD LYS 19 1HD LYS 19 -4.519 -6.682 6.229 116 1HE LYS 19 2HE LYS 19 -2.659 -7.893 7.141 117 2HE LYS 19 1HE LYS 19 -2.137 -8.392 5.532 118 1HZ LYS 19 1HZ LYS 19 -0.974 -6.414 6.665 119 2HZ LYS 19 2HZ LYS 19 -2.338 -5.531 6.200 120 3HZ LYS 19 3HZ LYS 19 -1.380 -6.285 5.024 121 HA PRO 20 HA PRO 20 -1.518 -9.781 4.461 122 1HB PRO 20 2HB PRO 20 0.881 -10.948 4.324 123 2HB PRO 20 1HB PRO 20 -0.564 -11.866 4.758 124 1HG PRO 20 2HG PRO 20 0.969 -11.847 2.217 125 2HG PRO 20 1HG PRO 20 0.033 -13.155 2.957 126 1HD PRO 20 2HD PRO 20 -0.798 -11.388 0.881 127 2HD PRO 20 1HD PRO 20 -1.779 -12.609 1.714 128 H TYR 21 H TYR 21 -1.547 -8.323 1.855 129 HA TYR 21 HA TYR 21 1.076 -7.369 1.298 130 1HB TYR 21 2HB TYR 21 -1.519 -5.912 0.695 131 2HB TYR 21 1HB TYR 21 0.041 -5.680 -0.076 132 HD1 TYR 21 1HD TYR 21 0.567 -6.811 -2.015 133 HD2 TYR 21 2HD TYR 21 -2.617 -8.270 0.393 134 HE1 TYR 21 1HE TYR 21 -0.004 -8.435 -3.764 135 HE2 TYR 21 2HE TYR 21 -3.194 -9.905 -1.352 136 HH TYR 21 HH TYR 21 -1.479 -9.942 -4.472 137 H LEU 22 H LEU 22 1.913 -5.247 1.713 138 HA LEU 22 HA LEU 22 0.774 -3.934 4.086 139 1HB LEU 22 2HB LEU 22 2.555 -5.398 4.851 140 2HB LEU 22 1HB LEU 22 3.658 -4.715 3.674 141 HG LEU 22 HG LEU 22 3.481 -2.524 4.858 142 1HD1 LEU 22 1HD1 LEU 22 1.306 -3.754 6.114 143 2HD1 LEU 22 2HD1 LEU 22 1.987 -2.165 6.457 144 3HD1 LEU 22 3HD1 LEU 22 2.541 -3.573 7.362 145 1HD2 LEU 22 1HD2 LEU 22 4.449 -4.913 6.417 146 2HD2 LEU 22 2HD2 LEU 22 4.826 -3.240 6.829 147 3HD2 LEU 22 3HD2 LEU 22 5.376 -3.918 5.296 148 H CYS 23 H CYS 23 0.831 -1.749 4.043 149 HA CYS 23 HA CYS 23 1.491 -0.452 1.591 150 1HB CYS 23 2HB CYS 23 -0.426 0.260 2.964 151 2HB CYS 23 1HB CYS 23 0.680 0.747 4.246 152 H SER 24 H SER 24 3.415 0.272 1.002 153 HA SER 24 HA SER 24 5.497 0.567 3.004 154 1HB SER 24 2HB SER 24 6.993 0.931 1.039 155 2HB SER 24 1HB SER 24 6.114 -0.595 0.958 156 HG SER 24 HG SER 24 4.559 1.086 -0.238 157 H CYS 25 H CYS 25 6.106 2.427 3.822 158 HA CYS 25 HA CYS 25 5.350 4.950 2.526 159 1HB CYS 25 2HB CYS 25 4.824 4.028 5.318 160 2HB CYS 25 1HB CYS 25 5.282 5.710 5.090 161 H ILE 26 H ILE 26 7.569 4.704 1.740 162 HA ILE 26 HA ILE 26 9.787 4.704 3.517 163 HB ILE 26 HB ILE 26 11.083 5.420 1.463 164 1HG1 ILE 26 2HG1 ILE 26 8.398 4.976 0.130 165 2HG1 ILE 26 1HG1 ILE 26 9.190 6.537 0.311 166 1HG2 ILE 26 1HG2 ILE 26 10.741 3.205 0.354 167 2HG2 ILE 26 2HG2 ILE 26 9.386 2.939 1.453 168 3HG2 ILE 26 3HG2 ILE 26 11.017 3.134 2.095 169 1HD1 ILE 26 1HD1 ILE 26 10.488 6.195 -1.463 170 2HD1 ILE 26 2HD1 ILE 26 9.385 4.874 -1.852 171 3HD1 ILE 26 3HD1 ILE 26 10.878 4.546 -0.974 172 H PHE 27 H PHE 27 8.115 6.695 4.411 173 HA PHE 27 HA PHE 27 8.083 8.822 5.171 174 1HB PHE 27 2HB PHE 27 10.985 8.584 4.411 175 2HB PHE 27 1HB PHE 27 10.338 10.044 5.138 176 HD1 PHE 27 1HD PHE 27 10.901 10.236 7.342 177 HD2 PHE 27 2HD PHE 27 9.961 6.381 5.805 178 HE1 PHE 27 1HE PHE 27 11.234 9.267 9.577 179 HE2 PHE 27 2HE PHE 27 10.289 5.406 8.038 180 HZ PHE 27 HZ PHE 27 10.926 6.849 9.929 181 H PHE 28 H PHE 28 7.774 8.205 2.188 182 HA PHE 28 HA PHE 28 7.442 10.969 1.385 183 1HB PHE 28 2HB PHE 28 9.190 9.036 -0.150 184 2HB PHE 28 1HB PHE 28 8.499 10.481 -0.871 185 HD1 PHE 28 1HD PHE 28 11.046 9.159 1.367 186 HD2 PHE 28 2HD PHE 28 9.280 12.694 -0.213 187 HE1 PHE 28 1HE PHE 28 12.979 10.467 2.145 188 HE2 PHE 28 2HE PHE 28 11.212 14.008 0.560 189 HZ PHE 28 HZ PHE 28 13.065 12.895 1.740 190 H TYR 29 H TYR 29 5.808 11.247 -0.072 191 HA TYR 29 HA TYR 29 4.017 9.012 -0.474 192 1HB TYR 29 2HB TYR 29 3.438 11.539 0.029 193 2HB TYR 29 1HB TYR 29 3.631 11.731 -1.709 194 HD1 TYR 29 1HD TYR 29 1.645 11.744 -2.882 195 HD2 TYR 29 2HD TYR 29 1.945 9.286 0.579 196 HE1 TYR 29 1HE TYR 29 -0.674 11.001 -3.216 197 HE2 TYR 29 2HE TYR 29 -0.373 8.531 0.251 198 HH TYR 29 HH TYR 29 -1.978 8.484 -2.218 199 HA PRO 30 HA PRO 30 2.410 8.621 -1.935 200 1HB PRO 30 2HB PRO 30 1.816 6.746 -3.907 201 2HB PRO 30 1HB PRO 30 1.341 8.444 -3.913 202 1HG PRO 30 2HG PRO 30 3.150 7.159 -5.680 203 2HG PRO 30 1HG PRO 30 2.783 8.888 -5.588 204 1HD PRO 30 2HD PRO 30 5.075 7.378 -4.464 205 2HD PRO 30 1HD PRO 30 4.978 9.074 -4.981 206 H CYS 31 H CYS 31 1.913 7.090 -0.507 207 HA CYS 31 HA CYS 31 3.723 4.875 -0.079 208 1HB CYS 31 2HB CYS 31 1.213 5.790 1.333 209 2HB CYS 31 1HB CYS 31 2.070 4.324 1.776 210 H SER 32 H SER 32 3.238 2.711 -0.561 211 HA SER 32 HA SER 32 0.567 2.198 -1.625 212 1HB SER 32 2HB SER 32 1.886 0.961 -3.571 213 2HB SER 32 1HB SER 32 1.460 2.670 -3.677 214 HG SER 32 HG SER 32 3.534 3.203 -3.012 215 H CYS 33 H CYS 33 -0.187 0.177 -1.420 216 HA CYS 33 HA CYS 33 1.105 -1.590 0.392 217 1HB CYS 33 2HB CYS 33 -1.121 -2.459 -1.427 218 2HB CYS 33 1HB CYS 33 -0.796 -2.936 0.226 219 H ARG 34 H ARG 34 2.474 -3.159 0.007 220 HA ARG 34 HA ARG 34 2.961 -3.973 -2.782 221 1HB ARG 34 2HB ARG 34 4.940 -3.949 -0.488 222 2HB ARG 34 1HB ARG 34 5.287 -4.341 -2.167 223 1HG ARG 34 2HG ARG 34 4.415 -1.648 -1.132 224 2HG ARG 34 1HG ARG 34 6.058 -2.104 -1.580 225 1HD ARG 34 2HD ARG 34 5.392 -2.428 -3.874 226 2HD ARG 34 1HD ARG 34 3.702 -2.144 -3.462 227 HE ARG 34 HE ARG 34 4.098 0.090 -3.636 228 1HH1 ARG 34 1HH1 ARG 34 7.190 -1.482 -3.092 229 2HH1 ARG 34 2HH1 ARG 34 8.094 -0.011 -3.203 230 1HH2 ARG 34 1HH2 ARG 34 5.280 2.015 -3.779 231 2HH2 ARG 34 2HH2 ARG 34 7.006 1.989 -3.594 232 HA PRO 35 HA PRO 35 1.938 -8.129 -1.698 233 1HB PRO 35 2HB PRO 35 4.278 -9.106 -3.167 234 2HB PRO 35 1HB PRO 35 2.564 -9.353 -3.503 235 1HG PRO 35 2HG PRO 35 4.193 -7.756 -5.000 236 2HG PRO 35 1HG PRO 35 2.440 -7.534 -4.864 237 1HD PRO 35 2HD PRO 35 4.646 -5.981 -3.647 238 2HD PRO 35 1HD PRO 35 3.008 -5.469 -4.088 239 H LYS 36 H LYS 36 2.609 -9.799 -0.261 240 HA LYS 36 HA LYS 36 4.787 -8.977 1.417 241 1HB LYS 36 2HB LYS 36 2.599 -9.994 2.239 242 2HB LYS 36 1HB LYS 36 3.245 -11.543 1.718 243 1HG LYS 36 2HG LYS 36 3.501 -10.671 4.202 244 2HG LYS 36 1HG LYS 36 4.731 -11.662 3.428 245 1HD LYS 36 2HD LYS 36 5.682 -9.741 4.656 246 2HD LYS 36 1HD LYS 36 6.064 -9.700 2.942 247 1HE LYS 36 2HE LYS 36 4.112 -8.108 2.675 248 2HE LYS 36 1HE LYS 36 4.057 -8.023 4.436 249 1HZ LYS 36 1HZ LYS 36 6.381 -7.246 4.395 250 2HZ LYS 36 2HZ LYS 36 5.348 -6.199 3.569 251 3HZ LYS 36 3HZ LYS 36 6.361 -7.243 2.700 252 H GLY 37 H GLY 37 6.714 -9.563 1.351 253 1HA GLY 37 2HA GLY 37 8.207 -11.678 1.028 254 2HA GLY 37 1HA GLY 37 7.658 -11.462 -0.645 255 H TRP 38 H TRP 38 7.252 -8.654 -0.097 256 HA TRP 38 HA TRP 38 10.000 -7.633 -0.228 257 1HB TRP 38 2HB TRP 38 7.490 -6.523 -1.539 258 2HB TRP 38 1HB TRP 38 9.088 -5.795 -1.620 259 HD1 TRP 38 HD TRP 38 10.615 -6.542 -3.555 260 HE1 TRP 38 1HE TRP 38 10.452 -8.292 -5.433 261 HE3 TRP 38 3HE TRP 38 6.412 -9.000 -2.012 262 HZ2 TRP 38 2HZ TRP 38 8.757 -10.426 -6.171 263 HZ3 TRP 38 3HZ TRP 38 5.579 -10.877 -3.361 264 HH2 TRP 38 HH TRP 38 6.728 -11.575 -5.401 Start of MODEL 4 1 1H LYS 1 1HT LYS 1 -13.196 -4.722 1.333 2 2H LYS 1 2HT LYS 1 -13.421 -5.464 -0.171 3 H LYS 1 H LYS 1 -13.776 -4.507 1.349 4 3H LYS 1 3HT LYS 1 -14.575 -4.374 0.414 5 HA LYS 1 HA LYS 1 -12.778 -3.658 -1.348 6 1HB LYS 1 2HB LYS 1 -14.606 -2.278 -0.427 7 2HB LYS 1 1HB LYS 1 -13.670 -2.009 1.036 8 1HG LYS 1 2HG LYS 1 -13.342 -0.058 -0.155 9 2HG LYS 1 1HG LYS 1 -11.903 -0.998 -0.548 10 1HD LYS 1 2HD LYS 1 -13.029 -1.745 -2.633 11 2HD LYS 1 1HD LYS 1 -14.371 -0.665 -2.251 12 1HE LYS 1 2HE LYS 1 -11.515 0.082 -2.846 13 2HE LYS 1 1HE LYS 1 -12.946 0.462 -3.801 14 1HZ LYS 1 1HZ LYS 1 -13.322 1.463 -1.212 15 2HZ LYS 1 2HZ LYS 1 -13.150 2.332 -2.652 16 3HZ LYS 1 3HZ LYS 1 -11.780 1.945 -1.725 17 H CYS 2 H CYS 2 -10.613 -3.544 -1.530 18 HA CYS 2 HA CYS 2 -8.982 -2.525 0.578 19 1HB CYS 2 2HB CYS 2 -7.548 -4.535 0.819 20 2HB CYS 2 1HB CYS 2 -9.174 -4.778 1.441 21 H LEU 3 H LEU 3 -6.765 -2.318 -0.049 22 HA LEU 3 HA LEU 3 -6.538 -1.595 -2.821 23 1HB LEU 3 2HB LEU 3 -4.524 -1.513 -0.577 24 2HB LEU 3 1HB LEU 3 -4.347 -0.738 -2.137 25 HG LEU 3 HG LEU 3 -6.539 -0.083 -0.184 26 1HD1 LEU 3 1HD1 LEU 3 -3.802 0.560 -0.033 27 2HD1 LEU 3 2HD1 LEU 3 -5.128 1.173 0.955 28 3HD1 LEU 3 3HD1 LEU 3 -4.660 2.022 -0.519 29 1HD2 LEU 3 1HD2 LEU 3 -6.520 0.383 -2.832 30 2HD2 LEU 3 2HD2 LEU 3 -5.660 1.815 -2.265 31 3HD2 LEU 3 3HD2 LEU 3 -7.278 1.461 -1.659 32 H ALA 4 H ALA 4 -5.481 -2.661 -4.398 33 HA ALA 4 HA ALA 4 -4.671 -5.365 -3.895 34 1HB ALA 4 1HB ALA 4 -5.002 -5.679 -6.084 35 2HB ALA 4 2HB ALA 4 -4.046 -4.267 -6.531 36 3HB ALA 4 3HB ALA 4 -5.731 -4.073 -6.047 37 H GLU 5 H GLU 5 -2.642 -5.727 -5.711 38 HA GLU 5 HA GLU 5 -0.362 -5.125 -4.152 39 1HB GLU 5 2HB GLU 5 -0.531 -7.195 -5.369 40 2HB GLU 5 1HB GLU 5 -0.677 -6.336 -6.895 41 1HG GLU 5 2HG GLU 5 1.570 -5.725 -6.901 42 2HG GLU 5 1HG GLU 5 1.755 -6.048 -5.176 43 H ALA 6 H ALA 6 1.076 -3.587 -4.316 44 HA ALA 6 HA ALA 6 2.109 -1.654 -4.884 45 1HB ALA 6 1HB ALA 6 1.616 -2.948 -7.509 46 2HB ALA 6 2HB ALA 6 3.132 -2.453 -6.755 47 3HB ALA 6 3HB ALA 6 2.091 -1.250 -7.517 48 H ALA 7 H ALA 7 -0.344 -1.276 -3.902 49 HA ALA 7 HA ALA 7 -1.466 0.830 -5.646 50 1HB ALA 7 1HB ALA 7 -2.757 -1.453 -4.609 51 2HB ALA 7 2HB ALA 7 -3.462 -0.122 -5.527 52 3HB ALA 7 3HB ALA 7 -3.417 -0.053 -3.765 53 H ASP 8 H ASP 8 -1.572 2.818 -4.845 54 HA ASP 8 HA ASP 8 -0.310 3.595 -2.509 55 1HB ASP 8 2HB ASP 8 -2.506 5.084 -3.964 56 2HB ASP 8 1HB ASP 8 -1.331 5.790 -2.859 57 H CYS 9 H CYS 9 -0.823 3.624 -0.452 58 HA CYS 9 HA CYS 9 -3.577 3.017 0.340 59 1HB CYS 9 2HB CYS 9 -2.092 2.774 2.627 60 2HB CYS 9 1HB CYS 9 -2.504 1.452 1.543 61 H SER 10 H SER 10 -4.608 4.169 1.962 62 HA SER 10 HA SER 10 -3.915 6.961 2.059 63 1HB SER 10 2HB SER 10 -6.119 5.518 3.544 64 2HB SER 10 1HB SER 10 -6.029 7.242 3.178 65 HG SER 10 HG SER 10 -5.803 6.040 0.876 66 HA PRO 11 HA PRO 11 -1.378 6.533 5.684 67 1HB PRO 11 2HB PRO 11 -1.166 9.199 6.241 68 2HB PRO 11 1HB PRO 11 -0.238 8.379 4.981 69 1HG PRO 11 2HG PRO 11 -2.745 9.998 4.738 70 2HG PRO 11 1HG PRO 11 -1.300 10.021 3.715 71 1HD PRO 11 2HD PRO 11 -3.529 8.719 2.980 72 2HD PRO 11 1HD PRO 11 -1.913 8.097 2.587 73 H TRP 12 H TRP 12 -3.855 9.113 6.035 74 HA TRP 12 HA TRP 12 -4.075 8.548 8.842 75 1HB TRP 12 2HB TRP 12 -5.448 10.502 7.016 76 2HB TRP 12 1HB TRP 12 -5.983 10.273 8.678 77 HD1 TRP 12 HD TRP 12 -4.373 11.144 10.623 78 HE1 TRP 12 1HE TRP 12 -2.432 12.832 10.623 79 HE3 TRP 12 3HE TRP 12 -3.504 11.391 5.589 80 HZ2 TRP 12 2HZ TRP 12 -0.759 14.106 8.743 81 HZ3 TRP 12 3HZ TRP 12 -1.720 12.875 4.773 82 HH2 TRP 12 HH TRP 12 -0.376 14.204 6.319 83 H SER 13 H SER 13 -6.385 8.361 6.122 84 HA SER 13 HA SER 13 -7.577 5.991 7.248 85 1HB SER 13 2HB SER 13 -9.198 8.549 7.100 86 2HB SER 13 1HB SER 13 -9.859 6.950 7.429 87 HG SER 13 HG SER 13 -7.806 7.445 9.094 88 H GLY 14 H GLY 14 -8.620 4.793 5.731 89 1HA GLY 14 2HA GLY 14 -9.955 5.571 3.473 90 2HA GLY 14 1HA GLY 14 -8.265 5.521 2.986 91 H ASP 15 H ASP 15 -8.671 3.792 1.557 92 HA ASP 15 HA ASP 15 -9.823 1.335 2.424 93 1HB ASP 15 2HB ASP 15 -8.146 2.045 0.025 94 2HB ASP 15 1HB ASP 15 -8.712 0.416 0.323 95 H SER 16 H SER 16 -8.858 -0.536 3.041 96 HA SER 16 HA SER 16 -6.125 -0.295 4.034 97 1HB SER 16 2HB SER 16 -8.055 -2.571 4.497 98 2HB SER 16 1HB SER 16 -6.610 -2.181 5.426 99 HG SER 16 HG SER 16 -8.287 -0.068 5.343 100 H CYS 17 H CYS 17 -4.519 -1.827 3.484 101 HA CYS 17 HA CYS 17 -4.574 -2.704 0.790 102 1HB CYS 17 2HB CYS 17 -2.675 -3.625 2.961 103 2HB CYS 17 1HB CYS 17 -2.394 -3.654 1.226 104 H CYS 18 H CYS 18 -4.893 -4.728 -0.090 105 HA CYS 18 HA CYS 18 -6.457 -6.624 1.343 106 1HB CYS 18 2HB CYS 18 -4.905 -7.011 -1.239 107 2HB CYS 18 1HB CYS 18 -6.160 -8.076 -0.628 108 H LYS 19 H LYS 19 -5.820 -8.489 2.361 109 HA LYS 19 HA LYS 19 -3.058 -8.558 3.135 110 1HB LYS 19 2HB LYS 19 -5.181 -10.576 3.830 111 2HB LYS 19 1HB LYS 19 -3.690 -10.248 4.683 112 1HG LYS 19 2HG LYS 19 -6.010 -8.352 4.446 113 2HG LYS 19 1HG LYS 19 -5.596 -9.314 5.867 114 1HD LYS 19 2HD LYS 19 -3.517 -8.131 6.129 115 2HD LYS 19 1HD LYS 19 -3.766 -7.273 4.608 116 1HE LYS 19 2HE LYS 19 -4.289 -5.832 6.491 117 2HE LYS 19 1HE LYS 19 -5.743 -6.179 5.558 118 1HZ LYS 19 1HZ LYS 19 -6.668 -7.291 7.258 119 2HZ LYS 19 2HZ LYS 19 -5.590 -6.398 8.208 120 3HZ LYS 19 3HZ LYS 19 -5.210 -7.985 7.763 121 HA PRO 20 HA PRO 20 -1.838 -9.868 3.990 122 1HB PRO 20 2HB PRO 20 0.506 -11.152 3.870 123 2HB PRO 20 1HB PRO 20 -0.996 -12.009 4.231 124 1HG PRO 20 2HG PRO 20 0.625 -12.010 1.755 125 2HG PRO 20 1HG PRO 20 -0.462 -13.256 2.389 126 1HD PRO 20 2HD PRO 20 -1.016 -11.280 0.381 127 2HD PRO 20 1HD PRO 20 -2.112 -12.515 1.029 128 H TYR 21 H TYR 21 -1.724 -8.245 1.496 129 HA TYR 21 HA TYR 21 1.014 -7.451 1.141 130 1HB TYR 21 2HB TYR 21 -1.493 -5.977 0.273 131 2HB TYR 21 1HB TYR 21 0.149 -5.628 -0.239 132 HD1 TYR 21 1HD TYR 21 0.852 -6.440 -2.243 133 HD2 TYR 21 2HD TYR 21 -2.233 -8.536 -0.206 134 HE1 TYR 21 1HE TYR 21 0.654 -7.979 -4.141 135 HE2 TYR 21 2HE TYR 21 -2.439 -10.087 -2.106 136 HH TYR 21 HH TYR 21 -0.391 -9.704 -5.008 137 H LEU 22 H LEU 22 2.009 -5.589 1.809 138 HA LEU 22 HA LEU 22 0.751 -4.277 4.126 139 1HB LEU 22 2HB LEU 22 2.574 -5.740 4.783 140 2HB LEU 22 1HB LEU 22 3.646 -4.959 3.639 141 HG LEU 22 HG LEU 22 3.422 -2.847 4.957 142 1HD1 LEU 22 1HD1 LEU 22 1.226 -3.546 5.994 143 2HD1 LEU 22 2HD1 LEU 22 2.405 -2.816 7.085 144 3HD1 LEU 22 3HD1 LEU 22 2.168 -4.564 7.081 145 1HD2 LEU 22 1HD2 LEU 22 4.571 -4.049 7.077 146 2HD2 LEU 22 2HD2 LEU 22 5.396 -3.763 5.544 147 3HD2 LEU 22 3HD2 LEU 22 4.686 -5.341 5.881 148 H CYS 23 H CYS 23 0.832 -2.110 4.285 149 HA CYS 23 HA CYS 23 1.358 -0.569 1.936 150 1HB CYS 23 2HB CYS 23 -0.470 -0.018 3.498 151 2HB CYS 23 1HB CYS 23 0.705 0.294 4.769 152 H SER 24 H SER 24 3.229 0.460 1.397 153 HA SER 24 HA SER 24 5.319 0.547 3.463 154 1HB SER 24 2HB SER 24 6.961 0.482 1.610 155 2HB SER 24 1HB SER 24 5.920 -0.940 1.635 156 HG SER 24 HG SER 24 4.618 0.247 0.027 157 H CYS 25 H CYS 25 6.091 2.422 4.074 158 HA CYS 25 HA CYS 25 5.442 4.823 2.511 159 1HB CYS 25 2HB CYS 25 5.878 4.506 5.492 160 2HB CYS 25 1HB CYS 25 5.670 6.052 4.679 161 H ILE 26 H ILE 26 7.403 3.980 1.360 162 HA ILE 26 HA ILE 26 9.967 4.103 2.551 163 HB ILE 26 HB ILE 26 10.787 4.128 0.162 164 1HG1 ILE 26 2HG1 ILE 26 7.830 3.810 -0.417 165 2HG1 ILE 26 1HG1 ILE 26 8.790 5.232 -0.811 166 1HG2 ILE 26 1HG2 ILE 26 10.299 1.821 -0.150 167 2HG2 ILE 26 2HG2 ILE 26 8.822 1.942 0.806 168 3HG2 ILE 26 3HG2 ILE 26 10.395 2.107 1.588 169 1HD1 ILE 26 1HD1 ILE 26 10.041 2.902 -1.897 170 2HD1 ILE 26 2HD1 ILE 26 9.409 4.324 -2.728 171 3HD1 ILE 26 3HD1 ILE 26 8.347 2.958 -2.386 172 H PHE 27 H PHE 27 8.888 6.453 3.327 173 HA PHE 27 HA PHE 27 9.290 8.665 3.524 174 1HB PHE 27 2HB PHE 27 11.780 7.779 2.098 175 2HB PHE 27 1HB PHE 27 11.532 9.463 2.532 176 HD1 PHE 27 1HD PHE 27 10.964 6.208 4.290 177 HD2 PHE 27 2HD PHE 27 12.777 10.058 4.350 178 HE1 PHE 27 1HE PHE 27 11.831 5.760 6.549 179 HE2 PHE 27 2HE PHE 27 13.649 9.616 6.608 180 HZ PHE 27 HZ PHE 27 13.176 7.466 7.711 181 H PHE 28 H PHE 28 7.869 7.640 1.067 182 HA PHE 28 HA PHE 28 7.987 10.180 -0.390 183 1HB PHE 28 2HB PHE 28 8.019 7.429 -1.584 184 2HB PHE 28 1HB PHE 28 7.339 8.777 -2.471 185 HD1 PHE 28 1HD PHE 28 8.693 9.930 -3.900 186 HD2 PHE 28 2HD PHE 28 10.461 7.873 -0.625 187 HE1 PHE 28 1HE PHE 28 10.926 10.527 -4.737 188 HE2 PHE 28 2HE PHE 28 12.699 8.470 -1.451 189 HZ PHE 28 HZ PHE 28 12.934 9.798 -3.511 190 H TYR 29 H TYR 29 6.088 11.060 -0.758 191 HA TYR 29 HA TYR 29 3.720 9.692 0.243 192 1HB TYR 29 2HB TYR 29 4.345 12.080 0.902 193 2HB TYR 29 1HB TYR 29 3.888 12.546 -0.732 194 HD1 TYR 29 1HD TYR 29 2.424 10.431 1.990 195 HD2 TYR 29 2HD TYR 29 1.793 13.496 -0.893 196 HE1 TYR 29 1HE TYR 29 0.079 10.611 2.706 197 HE2 TYR 29 2HE TYR 29 -0.555 13.686 -0.183 198 HH TYR 29 HH TYR 29 -2.009 13.155 1.545 199 HA PRO 30 HA PRO 30 2.010 9.175 0.139 200 1HB PRO 30 2HB PRO 30 0.021 7.577 -0.823 201 2HB PRO 30 1HB PRO 30 -0.125 9.329 -0.667 202 1HG PRO 30 2HG PRO 30 0.013 7.727 -3.077 203 2HG PRO 30 1HG PRO 30 -0.323 9.456 -2.914 204 1HD PRO 30 2HD PRO 30 2.192 8.103 -3.603 205 2HD PRO 30 1HD PRO 30 1.728 9.802 -3.831 206 H CYS 31 H CYS 31 1.377 6.922 1.009 207 HA CYS 31 HA CYS 31 3.566 5.126 0.486 208 1HB CYS 31 2HB CYS 31 1.172 4.722 2.295 209 2HB CYS 31 1HB CYS 31 2.700 3.854 2.357 210 H SER 32 H SER 32 3.214 2.835 -0.114 211 HA SER 32 HA SER 32 0.637 2.322 -1.395 212 1HB SER 32 2HB SER 32 2.183 1.307 -3.333 213 2HB SER 32 1HB SER 32 1.608 2.973 -3.353 214 HG SER 32 HG SER 32 3.560 3.689 -2.779 215 H CYS 33 H CYS 33 -0.056 0.283 -1.273 216 HA CYS 33 HA CYS 33 1.233 -1.561 0.449 217 1HB CYS 33 2HB CYS 33 -0.951 -2.341 -1.477 218 2HB CYS 33 1HB CYS 33 -0.640 -2.956 0.132 219 H ARG 34 H ARG 34 2.549 -3.179 0.028 220 HA ARG 34 HA ARG 34 3.099 -3.906 -2.780 221 1HB ARG 34 2HB ARG 34 5.095 -3.950 -0.509 222 2HB ARG 34 1HB ARG 34 5.423 -4.231 -2.208 223 1HG ARG 34 2HG ARG 34 4.467 -1.607 -1.097 224 2HG ARG 34 1HG ARG 34 6.163 -2.018 -1.359 225 1HD ARG 34 2HD ARG 34 5.843 -2.212 -3.700 226 2HD ARG 34 1HD ARG 34 4.089 -2.127 -3.533 227 HE ARG 34 HE ARG 34 4.236 0.152 -3.484 228 1HH1 ARG 34 1HH1 ARG 34 7.427 -1.156 -2.872 229 2HH1 ARG 34 2HH1 ARG 34 8.190 0.396 -2.803 230 1HH2 ARG 34 1HH2 ARG 34 5.222 2.198 -3.368 231 2HH2 ARG 34 2HH2 ARG 34 6.934 2.312 -3.092 232 HA PRO 35 HA PRO 35 2.216 -8.091 -1.644 233 1HB PRO 35 2HB PRO 35 4.293 -9.435 -2.861 234 2HB PRO 35 1HB PRO 35 2.837 -8.885 -3.697 235 1HG PRO 35 2HG PRO 35 5.543 -7.630 -3.580 236 2HG PRO 35 1HG PRO 35 4.420 -7.753 -4.946 237 1HD PRO 35 2HD PRO 35 4.717 -5.477 -3.540 238 2HD PRO 35 1HD PRO 35 3.153 -5.958 -4.224 239 H LYS 36 H LYS 36 2.866 -9.665 -0.079 240 HA LYS 36 HA LYS 36 4.887 -8.650 1.665 241 1HB LYS 36 2HB LYS 36 2.736 -9.731 2.468 242 2HB LYS 36 1HB LYS 36 3.472 -11.277 2.050 243 1HG LYS 36 2HG LYS 36 3.715 -10.597 4.456 244 2HG LYS 36 1HG LYS 36 5.231 -10.966 3.627 245 1HD LYS 36 2HD LYS 36 5.241 -8.395 3.123 246 2HD LYS 36 1HD LYS 36 4.136 -8.318 4.493 247 1HE LYS 36 2HE LYS 36 5.758 -9.215 5.970 248 2HE LYS 36 1HE LYS 36 6.812 -9.687 4.637 249 1HZ LYS 36 1HZ LYS 36 7.318 -7.546 5.983 250 2HZ LYS 36 2HZ LYS 36 6.136 -6.846 5.002 251 3HZ LYS 36 3HZ LYS 36 7.519 -7.535 4.299 252 H GLY 37 H GLY 37 6.769 -9.445 2.150 253 1HA GLY 37 2HA GLY 37 8.206 -11.606 1.894 254 2HA GLY 37 1HA GLY 37 8.030 -11.191 0.183 255 H TRP 38 H TRP 38 7.841 -8.410 0.657 256 HA TRP 38 HA TRP 38 10.652 -7.741 0.964 257 1HB TRP 38 2HB TRP 38 8.254 -6.135 0.026 258 2HB TRP 38 1HB TRP 38 9.872 -5.466 0.182 259 HD1 TRP 38 HD TRP 38 11.360 -5.622 -1.896 260 HE1 TRP 38 1HE TRP 38 11.260 -6.869 -4.144 261 HE3 TRP 38 3HE TRP 38 7.244 -8.527 -1.035 262 HZ2 TRP 38 2HZ TRP 38 9.644 -8.817 -5.392 263 HZ3 TRP 38 3HZ TRP 38 6.483 -10.051 -2.807 264 HH2 TRP 38 HH TRP 38 7.657 -10.191 -4.943 Start of MODEL 5 1 1H LYS 1 1HT LYS 1 -14.223 -1.541 -0.554 2 2H LYS 1 2HT LYS 1 -12.861 -0.731 0.058 3 H LYS 1 H LYS 1 -13.283 -1.823 0.898 4 3H LYS 1 3HT LYS 1 -13.432 -2.131 0.823 5 HA LYS 1 HA LYS 1 -12.843 -3.470 -1.091 6 1HB LYS 1 2HB LYS 1 -11.743 -0.862 -2.171 7 2HB LYS 1 1HB LYS 1 -11.652 -2.433 -2.957 8 1HG LYS 1 2HG LYS 1 -14.097 -2.458 -3.160 9 2HG LYS 1 1HG LYS 1 -14.165 -0.867 -2.406 10 1HD LYS 1 2HD LYS 1 -12.601 -1.407 -4.921 11 2HD LYS 1 1HD LYS 1 -14.300 -0.942 -4.945 12 1HE LYS 1 2HE LYS 1 -13.211 1.086 -5.222 13 2HE LYS 1 1HE LYS 1 -13.537 1.056 -3.492 14 1HZ LYS 1 1HZ LYS 1 -11.017 -0.126 -4.112 15 2HZ LYS 1 2HZ LYS 1 -11.374 1.141 -3.041 16 3HZ LYS 1 3HZ LYS 1 -11.110 1.462 -4.685 17 H CYS 2 H CYS 2 -10.224 -3.161 -2.005 18 HA CYS 2 HA CYS 2 -8.631 -2.422 0.272 19 1HB CYS 2 2HB CYS 2 -7.525 -4.556 0.550 20 2HB CYS 2 1HB CYS 2 -9.248 -4.738 0.810 21 H LEU 3 H LEU 3 -6.371 -2.451 -0.160 22 HA LEU 3 HA LEU 3 -5.842 -1.685 -2.915 23 1HB LEU 3 2HB LEU 3 -4.103 -1.498 -0.460 24 2HB LEU 3 1HB LEU 3 -3.809 -0.724 -2.001 25 HG LEU 3 HG LEU 3 -6.180 -0.139 -0.235 26 1HD1 LEU 3 1HD1 LEU 3 -3.685 0.505 0.437 27 2HD1 LEU 3 2HD1 LEU 3 -5.063 1.561 0.752 28 3HD1 LEU 3 3HD1 LEU 3 -4.033 1.848 -0.651 29 1HD2 LEU 3 1HD2 LEU 3 -6.480 0.260 -2.673 30 2HD2 LEU 3 2HD2 LEU 3 -5.118 1.381 -2.613 31 3HD2 LEU 3 3HD2 LEU 3 -6.583 1.723 -1.692 32 H ALA 4 H ALA 4 -4.885 -2.994 -4.323 33 HA ALA 4 HA ALA 4 -3.845 -5.546 -3.509 34 1HB ALA 4 1HB ALA 4 -3.849 -4.317 -6.257 35 2HB ALA 4 2HB ALA 4 -5.204 -5.201 -5.556 36 3HB ALA 4 3HB ALA 4 -3.672 -6.024 -5.849 37 H GLU 5 H GLU 5 -1.878 -5.909 -5.468 38 HA GLU 5 HA GLU 5 0.420 -5.099 -4.059 39 1HB GLU 5 2HB GLU 5 1.613 -5.972 -6.166 40 2HB GLU 5 1HB GLU 5 0.672 -7.105 -5.208 41 1HG GLU 5 2HG GLU 5 -0.712 -5.765 -7.455 42 2HG GLU 5 1HG GLU 5 0.516 -6.963 -7.860 43 H ALA 6 H ALA 6 1.570 -3.381 -4.121 44 HA ALA 6 HA ALA 6 2.479 -1.385 -4.669 45 1HB ALA 6 1HB ALA 6 2.632 -0.897 -7.211 46 2HB ALA 6 2HB ALA 6 2.049 -2.552 -7.389 47 3HB ALA 6 3HB ALA 6 3.557 -2.236 -6.530 48 H ALA 7 H ALA 7 -0.240 -1.466 -3.939 49 HA ALA 7 HA ALA 7 -1.479 0.557 -5.670 50 1HB ALA 7 1HB ALA 7 -3.442 -0.357 -5.168 51 2HB ALA 7 2HB ALA 7 -3.109 -0.297 -3.438 52 3HB ALA 7 3HB ALA 7 -2.539 -1.662 -4.397 53 H ASP 8 H ASP 8 -1.854 2.613 -5.024 54 HA ASP 8 HA ASP 8 -0.377 3.652 -2.854 55 1HB ASP 8 2HB ASP 8 -1.499 5.797 -3.388 56 2HB ASP 8 1HB ASP 8 -0.813 5.016 -4.807 57 H CYS 9 H CYS 9 -0.919 4.203 -0.834 58 HA CYS 9 HA CYS 9 -3.420 3.143 0.189 59 1HB CYS 9 2HB CYS 9 -1.242 4.409 1.831 60 2HB CYS 9 1HB CYS 9 -2.454 3.245 2.342 61 H SER 10 H SER 10 -4.733 4.340 1.639 62 HA SER 10 HA SER 10 -5.196 7.031 0.745 63 1HB SER 10 2HB SER 10 -6.575 5.478 2.943 64 2HB SER 10 1HB SER 10 -7.191 6.905 2.107 65 HG SER 10 HG SER 10 -6.562 5.123 0.257 66 HA PRO 11 HA PRO 11 -2.730 9.079 3.762 67 1HB PRO 11 2HB PRO 11 -4.672 11.287 3.649 68 2HB PRO 11 1HB PRO 11 -2.962 11.267 3.208 69 1HG PRO 11 2HG PRO 11 -4.909 11.394 1.357 70 2HG PRO 11 1HG PRO 11 -3.390 10.534 1.071 71 1HD PRO 11 2HD PRO 11 -6.082 9.442 1.745 72 2HD PRO 11 1HD PRO 11 -4.851 8.810 0.631 73 H TRP 12 H TRP 12 -6.158 9.925 4.340 74 HA TRP 12 HA TRP 12 -5.660 9.404 7.189 75 1HB TRP 12 2HB TRP 12 -7.716 11.248 5.956 76 2HB TRP 12 1HB TRP 12 -7.462 10.996 7.680 77 HD1 TRP 12 HD TRP 12 -5.152 11.989 8.725 78 HE1 TRP 12 1HE TRP 12 -3.691 13.968 7.968 79 HE3 TRP 12 3HE TRP 12 -6.914 12.521 3.955 80 HZ2 TRP 12 2HZ TRP 12 -3.338 15.549 5.657 81 HZ3 TRP 12 3HZ TRP 12 -5.964 14.295 2.538 82 HH2 TRP 12 HH TRP 12 -4.215 15.778 3.374 83 H SER 13 H SER 13 -7.892 8.853 4.528 84 HA SER 13 HA SER 13 -8.961 6.553 5.921 85 1HB SER 13 2HB SER 13 -10.789 8.837 5.129 86 2HB SER 13 1HB SER 13 -11.313 7.269 5.738 87 HG SER 13 HG SER 13 -9.526 8.252 7.441 88 H GLY 14 H GLY 14 -9.757 5.016 4.556 89 1HA GLY 14 2HA GLY 14 -10.834 5.273 2.052 90 2HA GLY 14 1HA GLY 14 -9.095 5.261 1.787 91 H ASP 15 H ASP 15 -9.021 3.294 0.750 92 HA ASP 15 HA ASP 15 -10.138 0.949 2.053 93 1HB ASP 15 2HB ASP 15 -8.681 1.328 -0.560 94 2HB ASP 15 1HB ASP 15 -9.117 -0.256 0.059 95 H SER 16 H SER 16 -8.960 -0.758 2.841 96 HA SER 16 HA SER 16 -6.239 -0.110 3.681 97 1HB SER 16 2HB SER 16 -7.975 -2.444 4.522 98 2HB SER 16 1HB SER 16 -6.503 -1.875 5.310 99 HG SER 16 HG SER 16 -8.365 0.095 5.033 100 H CYS 17 H CYS 17 -4.523 -1.721 3.438 101 HA CYS 17 HA CYS 17 -4.318 -2.752 0.843 102 1HB CYS 17 2HB CYS 17 -2.777 -3.725 3.257 103 2HB CYS 17 1HB CYS 17 -2.282 -3.831 1.573 104 H CYS 18 H CYS 18 -4.666 -4.745 -0.046 105 HA CYS 18 HA CYS 18 -6.517 -6.526 1.173 106 1HB CYS 18 2HB CYS 18 -4.682 -7.086 -1.176 107 2HB CYS 18 1HB CYS 18 -6.145 -7.962 -0.761 108 H LYS 19 H LYS 19 -6.154 -8.612 1.960 109 HA LYS 19 HA LYS 19 -3.624 -8.891 3.286 110 1HB LYS 19 2HB LYS 19 -4.623 -10.862 4.318 111 2HB LYS 19 1HB LYS 19 -5.679 -9.478 4.452 112 1HG LYS 19 2HG LYS 19 -7.244 -10.962 3.797 113 2HG LYS 19 1HG LYS 19 -6.636 -10.574 2.187 114 1HD LYS 19 2HD LYS 19 -4.939 -12.505 2.686 115 2HD LYS 19 1HD LYS 19 -6.150 -12.997 3.869 116 1HE LYS 19 2HE LYS 19 -6.579 -14.179 1.836 117 2HE LYS 19 1HE LYS 19 -7.845 -12.969 2.040 118 1HZ LYS 19 1HZ LYS 19 -6.356 -13.318 -0.194 119 2HZ LYS 19 2HZ LYS 19 -5.576 -12.010 0.548 120 3HZ LYS 19 3HZ LYS 19 -7.228 -11.919 0.184 121 HA PRO 20 HA PRO 20 -2.334 -9.912 3.983 122 1HB PRO 20 2HB PRO 20 -0.107 -11.364 4.151 123 2HB PRO 20 1HB PRO 20 -1.693 -12.137 4.269 124 1HG PRO 20 2HG PRO 20 0.279 -12.245 2.076 125 2HG PRO 20 1HG PRO 20 -1.043 -13.362 2.451 126 1HD PRO 20 2HD PRO 20 -1.003 -11.134 0.559 127 2HD PRO 20 1HD PRO 20 -2.229 -12.405 0.760 128 H TYR 21 H TYR 21 -1.884 -8.186 1.684 129 HA TYR 21 HA TYR 21 0.919 -7.714 1.346 130 1HB TYR 21 2HB TYR 21 -1.380 -5.833 0.695 131 2HB TYR 21 1HB TYR 21 0.275 -5.700 0.121 132 HD1 TYR 21 1HD TYR 21 -2.465 -8.266 0.135 133 HD2 TYR 21 2HD TYR 21 0.691 -6.406 -2.019 134 HE1 TYR 21 1HE TYR 21 -3.014 -9.631 -1.830 135 HE2 TYR 21 2HE TYR 21 0.149 -7.767 -3.993 136 HH TYR 21 HH TYR 21 -1.907 -8.966 -4.902 137 H LEU 22 H LEU 22 1.161 -4.936 1.569 138 HA LEU 22 HA LEU 22 0.420 -4.022 4.166 139 1HB LEU 22 2HB LEU 22 2.114 -5.663 4.823 140 2HB LEU 22 1HB LEU 22 3.280 -4.899 3.762 141 HG LEU 22 HG LEU 22 3.138 -2.840 5.153 142 1HD1 LEU 22 1HD1 LEU 22 1.303 -2.645 6.413 143 2HD1 LEU 22 2HD1 LEU 22 2.143 -3.692 7.558 144 3HD1 LEU 22 3HD1 LEU 22 1.001 -4.383 6.405 145 1HD2 LEU 22 1HD2 LEU 22 4.983 -4.171 5.640 146 2HD2 LEU 22 2HD2 LEU 22 3.996 -5.455 6.337 147 3HD2 LEU 22 3HD2 LEU 22 4.219 -3.939 7.212 148 H CYS 23 H CYS 23 0.584 -1.857 4.267 149 HA CYS 23 HA CYS 23 1.389 -0.421 1.939 150 1HB CYS 23 2HB CYS 23 -0.518 0.233 3.423 151 2HB CYS 23 1HB CYS 23 0.656 0.686 4.655 152 H SER 24 H SER 24 3.294 0.493 1.485 153 HA SER 24 HA SER 24 5.302 0.575 3.630 154 1HB SER 24 2HB SER 24 6.992 0.454 1.799 155 2HB SER 24 1HB SER 24 5.943 -0.961 1.865 156 HG SER 24 HG SER 24 4.681 0.087 0.185 157 H CYS 25 H CYS 25 6.079 2.467 4.229 158 HA CYS 25 HA CYS 25 5.463 4.834 2.609 159 1HB CYS 25 2HB CYS 25 5.949 4.552 5.583 160 2HB CYS 25 1HB CYS 25 5.786 6.098 4.757 161 H ILE 26 H ILE 26 7.399 3.901 1.440 162 HA ILE 26 HA ILE 26 9.989 4.100 2.572 163 HB ILE 26 HB ILE 26 10.766 3.985 0.173 164 1HG1 ILE 26 2HG1 ILE 26 7.809 3.597 -0.359 165 2HG1 ILE 26 1HG1 ILE 26 8.725 5.032 -0.808 166 1HG2 ILE 26 1HG2 ILE 26 8.815 1.811 0.853 167 2HG2 ILE 26 2HG2 ILE 26 10.298 2.060 1.776 168 3HG2 ILE 26 3HG2 ILE 26 10.383 1.681 0.056 169 1HD1 ILE 26 1HD1 ILE 26 10.041 3.786 -2.358 170 2HD1 ILE 26 2HD1 ILE 26 8.342 3.422 -2.660 171 3HD1 ILE 26 3HD1 ILE 26 9.352 2.263 -1.797 172 H PHE 27 H PHE 27 8.884 6.477 3.222 173 HA PHE 27 HA PHE 27 9.269 8.700 3.295 174 1HB PHE 27 2HB PHE 27 11.733 7.784 1.836 175 2HB PHE 27 1HB PHE 27 11.470 9.477 2.218 176 HD1 PHE 27 1HD PHE 27 12.734 10.167 3.987 177 HD2 PHE 27 2HD PHE 27 11.036 6.266 4.092 178 HE1 PHE 27 1HE PHE 27 13.693 9.813 6.224 179 HE2 PHE 27 2HE PHE 27 11.990 5.907 6.330 180 HZ PHE 27 HZ PHE 27 13.320 7.682 7.401 181 H PHE 28 H PHE 28 7.721 7.585 0.996 182 HA PHE 28 HA PHE 28 7.863 10.001 -0.662 183 1HB PHE 28 2HB PHE 28 7.710 7.166 -1.618 184 2HB PHE 28 1HB PHE 28 7.020 8.459 -2.575 185 HD1 PHE 28 1HD PHE 28 8.315 9.384 -4.205 186 HD2 PHE 28 2HD PHE 28 10.225 7.648 -0.824 187 HE1 PHE 28 1HE PHE 28 10.509 9.827 -5.224 188 HE2 PHE 28 2HE PHE 28 12.424 8.091 -1.834 189 HZ PHE 28 HZ PHE 28 12.569 9.182 -4.037 190 H TYR 29 H TYR 29 6.002 10.954 -0.980 191 HA TYR 29 HA TYR 29 3.609 9.802 0.217 192 1HB TYR 29 2HB TYR 29 4.321 12.131 0.787 193 2HB TYR 29 1HB TYR 29 4.037 12.588 -0.888 194 HD1 TYR 29 1HD TYR 29 2.137 10.703 1.737 195 HD2 TYR 29 2HD TYR 29 2.096 13.785 -1.197 196 HE1 TYR 29 1HE TYR 29 -0.218 11.168 2.269 197 HE2 TYR 29 2HE TYR 29 -0.259 14.259 -0.672 198 HH TYR 29 HH TYR 29 -1.869 13.946 1.019 199 HA PRO 30 HA PRO 30 1.931 9.211 0.209 200 1HB PRO 30 2HB PRO 30 -0.094 7.618 -0.502 201 2HB PRO 30 1HB PRO 30 -0.226 9.375 -0.628 202 1HG PRO 30 2HG PRO 30 0.098 7.350 -2.760 203 2HG PRO 30 1HG PRO 30 -0.645 8.956 -2.836 204 1HD PRO 30 2HD PRO 30 2.003 8.199 -3.631 205 2HD PRO 30 1HD PRO 30 1.274 9.816 -3.671 206 H CYS 31 H CYS 31 1.399 6.932 1.134 207 HA CYS 31 HA CYS 31 3.626 5.217 0.519 208 1HB CYS 31 2HB CYS 31 1.317 4.698 2.407 209 2HB CYS 31 1HB CYS 31 2.894 3.915 2.419 210 H SER 32 H SER 32 3.225 2.813 0.107 211 HA SER 32 HA SER 32 0.689 2.316 -1.257 212 1HB SER 32 2HB SER 32 2.170 1.286 -3.173 213 2HB SER 32 1HB SER 32 1.803 3.011 -3.156 214 HG SER 32 HG SER 32 3.826 3.357 -2.156 215 H CYS 33 H CYS 33 -0.024 0.273 -1.148 216 HA CYS 33 HA CYS 33 1.263 -1.551 0.622 217 1HB CYS 33 2HB CYS 33 -0.982 -2.265 -1.260 218 2HB CYS 33 1HB CYS 33 -0.589 -2.987 0.283 219 H ARG 34 H ARG 34 2.573 -3.156 0.223 220 HA ARG 34 HA ARG 34 3.102 -3.940 -2.571 221 1HB ARG 34 2HB ARG 34 5.064 -4.014 -0.263 222 2HB ARG 34 1HB ARG 34 5.407 -4.343 -1.955 223 1HG ARG 34 2HG ARG 34 4.613 -1.677 -0.808 224 2HG ARG 34 1HG ARG 34 6.244 -2.166 -1.270 225 1HD ARG 34 2HD ARG 34 5.615 -2.333 -3.569 226 2HD ARG 34 1HD ARG 34 3.912 -2.100 -3.175 227 HE ARG 34 HE ARG 34 4.272 0.145 -3.222 228 1HH1 ARG 34 1HH1 ARG 34 7.375 -1.401 -2.676 229 2HH1 ARG 34 2HH1 ARG 34 8.257 0.089 -2.695 230 1HH2 ARG 34 1HH2 ARG 34 5.419 2.095 -3.227 231 2HH2 ARG 34 2HH2 ARG 34 7.143 2.086 -3.018 232 HA PRO 35 HA PRO 35 2.005 -8.073 -1.454 233 1HB PRO 35 2HB PRO 35 4.477 -9.028 -2.760 234 2HB PRO 35 1HB PRO 35 2.794 -9.406 -3.133 235 1HG PRO 35 2HG PRO 35 4.295 -7.815 -4.709 236 2HG PRO 35 1HG PRO 35 2.549 -7.586 -4.512 237 1HD PRO 35 2HD PRO 35 4.809 -6.029 -3.351 238 2HD PRO 35 1HD PRO 35 3.198 -5.486 -3.852 239 H LYS 36 H LYS 36 2.642 -9.738 0.043 240 HA LYS 36 HA LYS 36 4.577 -8.795 1.935 241 1HB LYS 36 2HB LYS 36 2.409 -9.963 2.519 242 2HB LYS 36 1HB LYS 36 3.161 -11.458 1.982 243 1HG LYS 36 2HG LYS 36 3.198 -11.047 4.456 244 2HG LYS 36 1HG LYS 36 4.761 -11.392 3.718 245 1HD LYS 36 2HD LYS 36 4.830 -9.545 5.381 246 2HD LYS 36 1HD LYS 36 5.366 -9.065 3.772 247 1HE LYS 36 2HE LYS 36 3.950 -7.353 4.767 248 2HE LYS 36 1HE LYS 36 3.186 -8.050 3.342 249 1HZ LYS 36 1HZ LYS 36 2.504 -9.296 5.872 250 2HZ LYS 36 2HZ LYS 36 1.518 -8.913 4.547 251 3HZ LYS 36 3HZ LYS 36 1.942 -7.713 5.663 252 H GLY 37 H GLY 37 6.620 -9.148 1.882 253 1HA GLY 37 2HA GLY 37 8.226 -11.199 1.833 254 2HA GLY 37 1HA GLY 37 7.716 -11.231 0.144 255 H TRP 38 H TRP 38 7.385 -8.317 0.142 256 HA TRP 38 HA TRP 38 10.198 -7.564 -0.188 257 1HB TRP 38 2HB TRP 38 7.671 -6.416 -1.405 258 2HB TRP 38 1HB TRP 38 9.265 -5.700 -1.602 259 HD1 TRP 38 HD TRP 38 10.709 -6.576 -3.542 260 HE1 TRP 38 1HE TRP 38 10.475 -8.457 -5.281 261 HE3 TRP 38 3HE TRP 38 6.593 -8.938 -1.639 262 HZ2 TRP 38 2HZ TRP 38 8.768 -10.649 -5.786 263 HZ3 TRP 38 3HZ TRP 38 5.721 -10.917 -2.812 264 HH2 TRP 38 HH TRP 38 6.786 -11.752 -4.844 Start of MODEL 6 1 1H LYS 1 1HT LYS 1 -14.432 -2.378 -0.406 2 2H LYS 1 2HT LYS 1 -13.208 -1.247 -0.073 3 H LYS 1 H LYS 1 -13.080 -1.548 0.526 4 3H LYS 1 3HT LYS 1 -13.373 -2.629 0.892 5 HA LYS 1 HA LYS 1 -12.874 -3.996 -1.128 6 1HB LYS 1 2HB LYS 1 -11.938 -1.301 -2.144 7 2HB LYS 1 1HB LYS 1 -11.839 -2.836 -2.993 8 1HG LYS 1 2HG LYS 1 -14.196 -2.912 -3.297 9 2HG LYS 1 1HG LYS 1 -14.438 -1.539 -2.217 10 1HD LYS 1 2HD LYS 1 -12.752 -1.234 -4.672 11 2HD LYS 1 1HD LYS 1 -14.509 -1.193 -4.803 12 1HE LYS 1 2HE LYS 1 -13.839 1.056 -4.591 13 2HE LYS 1 1HE LYS 1 -14.464 0.601 -3.010 14 1HZ LYS 1 1HZ LYS 1 -12.340 0.556 -2.094 15 2HZ LYS 1 2HZ LYS 1 -12.285 1.901 -3.117 16 3HZ LYS 1 3HZ LYS 1 -11.575 0.447 -3.602 17 H CYS 2 H CYS 2 -10.299 -3.545 -2.029 18 HA CYS 2 HA CYS 2 -8.733 -2.641 0.200 19 1HB CYS 2 2HB CYS 2 -7.502 -4.716 0.533 20 2HB CYS 2 1HB CYS 2 -9.202 -4.931 0.893 21 H LEU 3 H LEU 3 -6.532 -2.451 -0.256 22 HA LEU 3 HA LEU 3 -6.048 -1.806 -3.027 23 1HB LEU 3 2HB LEU 3 -4.285 -1.536 -0.596 24 2HB LEU 3 1HB LEU 3 -3.974 -0.836 -2.167 25 HG LEU 3 HG LEU 3 -6.315 -0.138 -0.400 26 1HD1 LEU 3 1HD1 LEU 3 -3.981 1.623 -1.064 27 2HD1 LEU 3 2HD1 LEU 3 -3.985 0.570 0.350 28 3HD1 LEU 3 3HD1 LEU 3 -5.205 1.834 0.188 29 1HD2 LEU 3 1HD2 LEU 3 -7.062 1.285 -2.010 30 2HD2 LEU 3 2HD2 LEU 3 -6.342 0.054 -3.047 31 3HD2 LEU 3 3HD2 LEU 3 -5.456 1.537 -2.693 32 H ALA 4 H ALA 4 -4.930 -2.995 -4.445 33 HA ALA 4 HA ALA 4 -4.025 -5.615 -3.706 34 1HB ALA 4 1HB ALA 4 -3.835 -4.197 -6.358 35 2HB ALA 4 2HB ALA 4 -5.206 -5.163 -5.811 36 3HB ALA 4 3HB ALA 4 -3.638 -5.927 -6.074 37 H GLU 5 H GLU 5 -1.906 -5.998 -5.471 38 HA GLU 5 HA GLU 5 0.272 -5.170 -3.844 39 1HB GLU 5 2HB GLU 5 1.656 -6.209 -5.754 40 2HB GLU 5 1HB GLU 5 0.620 -7.260 -4.804 41 1HG GLU 5 2HG GLU 5 -0.366 -6.084 -7.367 42 2HG GLU 5 1HG GLU 5 0.676 -7.507 -7.371 43 H ALA 6 H ALA 6 1.550 -3.530 -3.981 44 HA ALA 6 HA ALA 6 2.540 -1.595 -4.611 45 1HB ALA 6 1HB ALA 6 2.460 -1.371 -7.334 46 2HB ALA 6 2HB ALA 6 2.341 -3.116 -7.106 47 3HB ALA 6 3HB ALA 6 3.704 -2.228 -6.423 48 H ALA 7 H ALA 7 -0.143 -1.526 -3.889 49 HA ALA 7 HA ALA 7 -1.312 0.433 -5.754 50 1HB ALA 7 1HB ALA 7 -3.414 0.063 -4.428 51 2HB ALA 7 2HB ALA 7 -2.564 -1.228 -3.580 52 3HB ALA 7 3HB ALA 7 -2.826 -1.340 -5.320 53 H ASP 8 H ASP 8 -1.651 2.522 -5.181 54 HA ASP 8 HA ASP 8 -0.271 3.555 -2.936 55 1HB ASP 8 2HB ASP 8 -1.180 5.733 -3.607 56 2HB ASP 8 1HB ASP 8 -0.533 4.857 -4.988 57 H CYS 9 H CYS 9 -0.965 4.312 -1.003 58 HA CYS 9 HA CYS 9 -3.646 3.455 -0.188 59 1HB CYS 9 2HB CYS 9 -1.598 4.393 1.771 60 2HB CYS 9 1HB CYS 9 -2.849 3.174 1.963 61 H SER 10 H SER 10 -4.995 4.834 0.981 62 HA SER 10 HA SER 10 -4.769 7.611 0.261 63 1HB SER 10 2HB SER 10 -6.839 6.300 2.033 64 2HB SER 10 1HB SER 10 -6.988 7.829 1.168 65 HG SER 10 HG SER 10 -6.371 6.031 -0.641 66 HA PRO 11 HA PRO 11 -2.517 8.809 3.883 67 1HB PRO 11 2HB PRO 11 -3.066 11.490 3.751 68 2HB PRO 11 1HB PRO 11 -1.853 10.675 2.758 69 1HG PRO 11 2HG PRO 11 -4.671 11.423 2.070 70 2HG PRO 11 1HG PRO 11 -3.202 11.597 1.098 71 1HD PRO 11 2HD PRO 11 -4.917 9.594 0.670 72 2HD PRO 11 1HD PRO 11 -3.162 9.352 0.520 73 H TRP 12 H TRP 12 -5.642 10.544 3.556 74 HA TRP 12 HA TRP 12 -5.878 10.741 6.411 75 1HB TRP 12 2HB TRP 12 -7.819 11.469 4.211 76 2HB TRP 12 1HB TRP 12 -8.085 11.794 5.921 77 HD1 TRP 12 HD TRP 12 -6.397 13.606 7.080 78 HE1 TRP 12 1HE TRP 12 -5.185 15.631 6.055 79 HE3 TRP 12 3HE TRP 12 -6.747 12.349 2.136 80 HZ2 TRP 12 2HZ TRP 12 -4.480 16.576 3.493 81 HZ3 TRP 12 3HZ TRP 12 -5.783 13.873 0.462 82 HH2 TRP 12 HH TRP 12 -4.673 15.943 1.128 83 H SER 13 H SER 13 -7.700 9.033 3.877 84 HA SER 13 HA SER 13 -8.165 6.774 5.524 85 1HB SER 13 2HB SER 13 -10.670 7.046 5.673 86 2HB SER 13 1HB SER 13 -9.755 8.161 6.689 87 HG SER 13 HG SER 13 -10.461 8.949 4.092 88 H GLY 14 H GLY 14 -8.871 5.048 4.339 89 1HA GLY 14 2HA GLY 14 -10.353 5.199 1.949 90 2HA GLY 14 1HA GLY 14 -8.640 5.102 1.558 91 H ASP 15 H ASP 15 -9.412 3.043 0.542 92 HA ASP 15 HA ASP 15 -10.256 0.885 2.184 93 1HB ASP 15 2HB ASP 15 -8.979 0.855 -0.556 94 2HB ASP 15 1HB ASP 15 -9.666 -0.555 0.235 95 H SER 16 H SER 16 -9.123 -0.778 3.075 96 HA SER 16 HA SER 16 -6.356 -0.255 3.698 97 1HB SER 16 2HB SER 16 -8.069 -2.616 4.494 98 2HB SER 16 1HB SER 16 -6.556 -2.108 5.241 99 HG SER 16 HG SER 16 -8.348 -0.079 5.175 100 H CYS 17 H CYS 17 -4.642 -1.764 3.312 101 HA CYS 17 HA CYS 17 -4.574 -2.802 0.698 102 1HB CYS 17 2HB CYS 17 -2.751 -3.636 2.957 103 2HB CYS 17 1HB CYS 17 -2.392 -3.621 1.234 104 H CYS 18 H CYS 18 -4.862 -4.829 -0.119 105 HA CYS 18 HA CYS 18 -6.442 -6.735 1.260 106 1HB CYS 18 2HB CYS 18 -4.666 -7.268 -1.139 107 2HB CYS 18 1HB CYS 18 -6.079 -8.185 -0.648 108 H LYS 19 H LYS 19 -5.826 -8.711 2.183 109 HA LYS 19 HA LYS 19 -3.151 -8.646 3.248 110 1HB LYS 19 2HB LYS 19 -5.211 -10.790 3.703 111 2HB LYS 19 1HB LYS 19 -3.824 -10.405 4.690 112 1HG LYS 19 2HG LYS 19 -6.280 -8.716 4.326 113 2HG LYS 19 1HG LYS 19 -5.786 -9.585 5.783 114 1HD LYS 19 2HD LYS 19 -3.876 -8.166 6.060 115 2HD LYS 19 1HD LYS 19 -4.154 -7.402 4.494 116 1HE LYS 19 2HE LYS 19 -6.366 -6.613 5.400 117 2HE LYS 19 1HE LYS 19 -5.831 -7.177 6.983 118 1HZ LYS 19 1HZ LYS 19 -4.663 -5.023 5.323 119 2HZ LYS 19 2HZ LYS 19 -3.828 -5.711 6.626 120 3HZ LYS 19 3HZ LYS 19 -5.295 -4.910 6.891 121 HA PRO 20 HA PRO 20 -1.919 -9.836 4.126 122 1HB PRO 20 2HB PRO 20 0.493 -10.994 4.174 123 2HB PRO 20 1HB PRO 20 -0.982 -11.934 4.417 124 1HG PRO 20 2HG PRO 20 0.821 -11.837 2.076 125 2HG PRO 20 1HG PRO 20 -0.262 -13.132 2.607 126 1HD PRO 20 2HD PRO 20 -0.731 -11.128 0.589 127 2HD PRO 20 1HD PRO 20 -1.808 -12.444 1.100 128 H TYR 21 H TYR 21 -1.690 -8.221 1.621 129 HA TYR 21 HA TYR 21 1.028 -7.261 1.523 130 1HB TYR 21 2HB TYR 21 -1.411 -5.911 0.330 131 2HB TYR 21 1HB TYR 21 0.274 -5.669 -0.110 132 HD1 TYR 21 1HD TYR 21 1.226 -6.890 -1.840 133 HD2 TYR 21 2HD TYR 21 -2.399 -8.274 -0.101 134 HE1 TYR 21 1HE TYR 21 1.045 -8.604 -3.591 135 HE2 TYR 21 2HE TYR 21 -2.587 -9.995 -1.846 136 HH TYR 21 HH TYR 21 -1.016 -9.931 -4.666 137 H LEU 22 H LEU 22 1.801 -5.276 2.200 138 HA LEU 22 HA LEU 22 0.130 -3.873 4.179 139 1HB LEU 22 2HB LEU 22 1.756 -5.285 5.309 140 2HB LEU 22 1HB LEU 22 3.057 -4.579 4.372 141 HG LEU 22 HG LEU 22 2.579 -2.383 5.465 142 1HD1 LEU 22 1HD1 LEU 22 0.270 -3.781 6.358 143 2HD1 LEU 22 2HD1 LEU 22 0.701 -2.089 6.599 144 3HD1 LEU 22 3HD1 LEU 22 1.219 -3.306 7.766 145 1HD2 LEU 22 1HD2 LEU 22 3.821 -4.703 6.554 146 2HD2 LEU 22 2HD2 LEU 22 3.093 -3.778 7.867 147 3HD2 LEU 22 3HD2 LEU 22 4.249 -3.008 6.781 148 H CYS 23 H CYS 23 0.293 -1.662 4.248 149 HA CYS 23 HA CYS 23 1.234 -0.347 1.903 150 1HB CYS 23 2HB CYS 23 -0.785 0.363 3.192 151 2HB CYS 23 1HB CYS 23 0.283 0.898 4.486 152 H SER 24 H SER 24 3.174 0.496 1.522 153 HA SER 24 HA SER 24 5.049 0.685 3.765 154 1HB SER 24 2HB SER 24 6.818 0.639 2.007 155 2HB SER 24 1HB SER 24 5.798 -0.799 2.000 156 HG SER 24 HG SER 24 4.568 0.320 0.304 157 H CYS 25 H CYS 25 5.826 2.573 4.403 158 HA CYS 25 HA CYS 25 5.274 4.952 2.766 159 1HB CYS 25 2HB CYS 25 5.399 4.646 5.773 160 2HB CYS 25 1HB CYS 25 5.365 6.206 4.958 161 H ILE 26 H ILE 26 7.357 4.067 1.817 162 HA ILE 26 HA ILE 26 9.785 4.314 3.270 163 HB ILE 26 HB ILE 26 10.907 4.137 1.066 164 1HG1 ILE 26 2HG1 ILE 26 8.952 5.275 -0.173 165 2HG1 ILE 26 1HG1 ILE 26 9.752 3.930 -0.967 166 1HG2 ILE 26 1HG2 ILE 26 9.713 1.838 0.553 167 2HG2 ILE 26 2HG2 ILE 26 8.938 2.186 2.099 168 3HG2 ILE 26 3HG2 ILE 26 10.696 2.087 1.996 169 1HD1 ILE 26 1HD1 ILE 26 7.914 2.624 -0.894 170 2HD1 ILE 26 2HD1 ILE 26 7.102 4.187 -0.818 171 3HD1 ILE 26 3HD1 ILE 26 7.381 3.267 0.660 172 H PHE 27 H PHE 27 8.452 6.677 3.662 173 HA PHE 27 HA PHE 27 8.769 8.911 3.756 174 1HB PHE 27 2HB PHE 27 11.461 8.019 2.774 175 2HB PHE 27 1HB PHE 27 11.102 9.723 2.992 176 HD1 PHE 27 1HD PHE 27 10.366 6.645 4.985 177 HD2 PHE 27 2HD PHE 27 12.082 10.539 4.890 178 HE1 PHE 27 1HE PHE 27 10.917 6.457 7.375 179 HE2 PHE 27 2HE PHE 27 12.637 10.356 7.280 180 HZ PHE 27 HZ PHE 27 12.054 8.314 8.526 181 H PHE 28 H PHE 28 7.731 7.622 1.240 182 HA PHE 28 HA PHE 28 8.066 9.983 -0.479 183 1HB PHE 28 2HB PHE 28 8.002 7.092 -1.269 184 2HB PHE 28 1HB PHE 28 7.468 8.327 -2.390 185 HD1 PHE 28 1HD PHE 28 10.381 7.983 -0.059 186 HD2 PHE 28 2HD PHE 28 9.004 8.752 -4.009 187 HE1 PHE 28 1HE PHE 28 12.700 8.346 -0.792 188 HE2 PHE 28 2HE PHE 28 11.322 9.115 -4.751 189 HZ PHE 28 HZ PHE 28 13.173 8.912 -3.142 190 H TYR 29 H TYR 29 6.264 10.913 -1.118 191 HA TYR 29 HA TYR 29 3.738 9.842 -0.145 192 1HB TYR 29 2HB TYR 29 4.367 12.217 0.316 193 2HB TYR 29 1HB TYR 29 4.302 12.533 -1.415 194 HD1 TYR 29 1HD TYR 29 2.403 13.631 -2.110 195 HD2 TYR 29 2HD TYR 29 2.096 10.892 1.131 196 HE1 TYR 29 1HE TYR 29 -0.002 14.120 -1.931 197 HE2 TYR 29 2HE TYR 29 -0.308 11.371 1.317 198 HH TYR 29 HH TYR 29 -1.834 13.893 -0.605 199 HA PRO 30 HA PRO 30 2.071 9.275 -0.302 200 1HB PRO 30 2HB PRO 30 0.073 7.706 -1.119 201 2HB PRO 30 1HB PRO 30 0.041 9.448 -1.412 202 1HG PRO 30 2HG PRO 30 0.507 7.230 -3.309 203 2HG PRO 30 1HG PRO 30 -0.122 8.857 -3.612 204 1HD PRO 30 2HD PRO 30 2.562 7.893 -3.977 205 2HD PRO 30 1HD PRO 30 1.931 9.522 -4.290 206 H CYS 31 H CYS 31 1.327 7.104 0.732 207 HA CYS 31 HA CYS 31 3.520 5.248 0.520 208 1HB CYS 31 2HB CYS 31 0.987 5.079 2.175 209 2HB CYS 31 1HB CYS 31 2.419 4.079 2.373 210 H SER 32 H SER 32 3.121 2.881 0.143 211 HA SER 32 HA SER 32 0.678 2.323 -1.353 212 1HB SER 32 2HB SER 32 2.198 1.296 -3.193 213 2HB SER 32 1HB SER 32 1.942 3.041 -3.174 214 HG SER 32 HG SER 32 3.941 3.201 -1.998 215 H CYS 33 H CYS 33 -0.025 0.292 -1.196 216 HA CYS 33 HA CYS 33 1.154 -1.494 0.663 217 1HB CYS 33 2HB CYS 33 -0.922 -2.290 -1.365 218 2HB CYS 33 1HB CYS 33 -0.681 -2.911 0.258 219 H ARG 34 H ARG 34 2.537 -3.043 0.399 220 HA ARG 34 HA ARG 34 3.230 -3.961 -2.317 221 1HB ARG 34 2HB ARG 34 5.150 -3.564 -0.004 222 2HB ARG 34 1HB ARG 34 5.564 -4.068 -1.636 223 1HG ARG 34 2HG ARG 34 4.352 -1.399 -0.973 224 2HG ARG 34 1HG ARG 34 6.087 -1.691 -1.092 225 1HD ARG 34 2HD ARG 34 5.922 -2.240 -3.394 226 2HD ARG 34 1HD ARG 34 4.161 -2.306 -3.319 227 HE ARG 34 HE ARG 34 4.798 0.251 -2.573 228 1HH1 ARG 34 1HH1 ARG 34 5.497 -1.729 -5.373 229 2HH1 ARG 34 2HH1 ARG 34 5.463 -0.401 -6.482 230 1HH2 ARG 34 1HH2 ARG 34 4.736 2.002 -4.020 231 2HH2 ARG 34 2HH2 ARG 34 5.033 1.733 -5.711 232 HA PRO 35 HA PRO 35 2.546 -8.094 -0.926 233 1HB PRO 35 2HB PRO 35 5.258 -8.772 -1.930 234 2HB PRO 35 1HB PRO 35 3.697 -9.495 -2.329 235 1HG PRO 35 2HG PRO 35 4.958 -7.866 -4.038 236 2HG PRO 35 1HG PRO 35 3.191 -7.868 -3.888 237 1HD PRO 35 2HD PRO 35 5.177 -5.892 -2.872 238 2HD PRO 35 1HD PRO 35 3.523 -5.638 -3.456 239 H LYS 36 H LYS 36 3.076 -9.465 0.789 240 HA LYS 36 HA LYS 36 4.771 -8.312 2.799 241 1HB LYS 36 2HB LYS 36 2.599 -9.474 3.280 242 2HB LYS 36 1HB LYS 36 3.374 -10.992 2.849 243 1HG LYS 36 2HG LYS 36 5.108 -10.355 4.656 244 2HG LYS 36 1HG LYS 36 3.870 -9.228 5.212 245 1HD LYS 36 2HD LYS 36 3.716 -11.327 6.429 246 2HD LYS 36 1HD LYS 36 2.284 -11.093 5.423 247 1HE LYS 36 2HE LYS 36 3.173 -13.408 5.351 248 2HE LYS 36 1HE LYS 36 3.128 -12.626 3.772 249 1HZ LYS 36 1HZ LYS 36 5.215 -13.909 4.375 250 2HZ LYS 36 2HZ LYS 36 5.578 -12.637 5.429 251 3HZ LYS 36 3HZ LYS 36 5.434 -12.341 3.766 252 H GLY 37 H GLY 37 6.629 -8.501 1.246 253 1HA GLY 37 2HA GLY 37 8.735 -9.840 1.971 254 2HA GLY 37 1HA GLY 37 7.860 -11.166 1.213 255 H TRP 38 H TRP 38 6.875 -8.651 -0.495 256 HA TRP 38 HA TRP 38 7.305 -7.715 -2.494 257 1HB TRP 38 2HB TRP 38 10.090 -8.127 -1.492 258 2HB TRP 38 1HB TRP 38 9.861 -7.720 -3.188 259 HD1 TRP 38 HD TRP 38 10.092 -5.233 -3.609 260 HE1 TRP 38 1HE TRP 38 9.626 -3.066 -2.306 261 HE3 TRP 38 3HE TRP 38 8.235 -7.250 0.715 262 HZ2 TRP 38 2HZ TRP 38 8.611 -2.306 0.210 263 HZ3 TRP 38 3HZ TRP 38 7.543 -5.729 2.520 264 HH2 TRP 38 HH TRP 38 7.728 -3.308 2.272 Start of MODEL 7 1 1H LYS 1 1HT LYS 1 -14.315 -1.574 0.300 2 2H LYS 1 2HT LYS 1 -12.869 -0.912 0.890 3 H LYS 1 H LYS 1 -13.097 -0.844 0.818 4 3H LYS 1 3HT LYS 1 -13.597 -2.214 1.689 5 HA LYS 1 HA LYS 1 -13.068 -3.732 0.009 6 1HB LYS 1 2HB LYS 1 -11.761 -2.568 -2.030 7 2HB LYS 1 1HB LYS 1 -13.498 -2.829 -2.038 8 1HG LYS 1 2HG LYS 1 -13.909 -0.557 -1.412 9 2HG LYS 1 1HG LYS 1 -12.190 -0.269 -1.145 10 1HD LYS 1 2HD LYS 1 -13.287 -1.096 -3.820 11 2HD LYS 1 1HD LYS 1 -13.186 0.593 -3.326 12 1HE LYS 1 2HE LYS 1 -10.833 -1.292 -3.357 13 2HE LYS 1 1HE LYS 1 -11.256 -0.234 -4.702 14 1HZ LYS 1 1HZ LYS 1 -10.985 1.017 -2.067 15 2HZ LYS 1 2HZ LYS 1 -10.551 1.599 -3.600 16 3HZ LYS 1 3HZ LYS 1 -9.561 0.477 -2.814 17 H CYS 2 H CYS 2 -10.610 -3.710 -1.271 18 HA CYS 2 HA CYS 2 -8.752 -2.764 0.768 19 1HB CYS 2 2HB CYS 2 -7.580 -4.883 0.877 20 2HB CYS 2 1HB CYS 2 -9.261 -5.102 1.328 21 H LEU 3 H LEU 3 -6.493 -2.895 0.076 22 HA LEU 3 HA LEU 3 -6.295 -2.112 -2.738 23 1HB LEU 3 2HB LEU 3 -4.451 -1.626 -0.405 24 2HB LEU 3 1HB LEU 3 -4.234 -0.988 -2.018 25 HG LEU 3 HG LEU 3 -6.585 -0.357 -0.241 26 1HD1 LEU 3 1HD1 LEU 3 -4.371 0.490 0.569 27 2HD1 LEU 3 2HD1 LEU 3 -5.574 1.732 0.225 28 3HD1 LEU 3 3HD1 LEU 3 -4.266 1.429 -0.919 29 1HD2 LEU 3 1HD2 LEU 3 -6.883 -0.235 -2.756 30 2HD2 LEU 3 2HD2 LEU 3 -5.698 1.072 -2.736 31 3HD2 LEU 3 3HD2 LEU 3 -7.217 1.245 -1.857 32 H ALA 4 H ALA 4 -5.211 -3.340 -4.170 33 HA ALA 4 HA ALA 4 -4.015 -5.807 -3.319 34 1HB ALA 4 1HB ALA 4 -5.201 -4.839 -5.667 35 2HB ALA 4 2HB ALA 4 -4.594 -6.464 -5.351 36 3HB ALA 4 3HB ALA 4 -3.538 -5.256 -6.084 37 H GLU 5 H GLU 5 -2.041 -6.118 -5.265 38 HA GLU 5 HA GLU 5 0.209 -5.142 -3.892 39 1HB GLU 5 2HB GLU 5 1.508 -6.126 -5.781 40 2HB GLU 5 1HB GLU 5 0.378 -7.237 -5.026 41 1HG GLU 5 2HG GLU 5 -0.360 -5.731 -7.506 42 2HG GLU 5 1HG GLU 5 0.582 -7.215 -7.585 43 H ALA 6 H ALA 6 1.373 -3.432 -4.085 44 HA ALA 6 HA ALA 6 2.183 -1.414 -4.711 45 1HB ALA 6 1HB ALA 6 3.258 -1.732 -6.625 46 2HB ALA 6 2HB ALA 6 1.789 -1.267 -7.482 47 3HB ALA 6 3HB ALA 6 2.099 -2.965 -7.123 48 H ALA 7 H ALA 7 -0.443 -1.473 -3.820 49 HA ALA 7 HA ALA 7 -1.814 0.437 -5.590 50 1HB ALA 7 1HB ALA 7 -2.732 -1.683 -3.827 51 2HB ALA 7 2HB ALA 7 -3.542 -0.907 -5.187 52 3HB ALA 7 3HB ALA 7 -3.600 -0.167 -3.587 53 H ASP 8 H ASP 8 -2.126 2.502 -5.022 54 HA ASP 8 HA ASP 8 -0.697 3.717 -2.952 55 1HB ASP 8 2HB ASP 8 -1.460 4.931 -4.946 56 2HB ASP 8 1HB ASP 8 -3.134 4.733 -4.443 57 H CYS 9 H CYS 9 -1.153 4.203 -0.859 58 HA CYS 9 HA CYS 9 -3.866 3.597 0.082 59 1HB CYS 9 2HB CYS 9 -2.534 2.978 2.293 60 2HB CYS 9 1HB CYS 9 -2.903 1.801 1.046 61 H SER 10 H SER 10 -4.751 4.879 1.475 62 HA SER 10 HA SER 10 -3.445 7.418 2.033 63 1HB SER 10 2HB SER 10 -6.282 6.533 2.621 64 2HB SER 10 1HB SER 10 -5.660 8.183 2.686 65 HG SER 10 HG SER 10 -5.102 7.117 0.290 66 HA PRO 11 HA PRO 11 -2.111 6.442 6.099 67 1HB PRO 11 2HB PRO 11 -2.709 8.910 7.267 68 2HB PRO 11 1HB PRO 11 -1.206 8.483 6.447 69 1HG PRO 11 2HG PRO 11 -3.570 9.978 5.419 70 2HG PRO 11 1HG PRO 11 -1.852 10.211 5.066 71 1HD PRO 11 2HD PRO 11 -3.488 9.032 3.312 72 2HD PRO 11 1HD PRO 11 -1.805 8.502 3.512 73 H TRP 12 H TRP 12 -5.279 8.060 5.817 74 HA TRP 12 HA TRP 12 -6.228 6.307 7.973 75 1HB TRP 12 2HB TRP 12 -6.917 9.248 7.767 76 2HB TRP 12 1HB TRP 12 -7.540 8.121 8.965 77 HD1 TRP 12 HD TRP 12 -5.725 7.211 10.814 78 HE1 TRP 12 1HE TRP 12 -3.658 8.383 11.802 79 HE3 TRP 12 3HE TRP 12 -5.084 10.852 7.280 80 HZ2 TRP 12 2HZ TRP 12 -1.983 10.565 11.173 81 HZ3 TRP 12 3HZ TRP 12 -3.230 12.446 7.553 82 HH2 TRP 12 HH TRP 12 -1.713 12.304 9.460 83 H SER 13 H SER 13 -7.462 8.799 5.743 84 HA SER 13 HA SER 13 -9.962 7.453 5.416 85 1HB SER 13 2HB SER 13 -8.862 9.712 3.738 86 2HB SER 13 1HB SER 13 -10.555 9.284 3.992 87 HG SER 13 HG SER 13 -10.466 10.638 5.588 88 H GLY 14 H GLY 14 -8.696 5.398 4.722 89 1HA GLY 14 2HA GLY 14 -9.067 5.145 1.875 90 2HA GLY 14 1HA GLY 14 -7.383 5.036 2.366 91 H ASP 15 H ASP 15 -9.049 3.026 1.130 92 HA ASP 15 HA ASP 15 -9.955 1.058 2.905 93 1HB ASP 15 2HB ASP 15 -8.911 0.914 0.083 94 2HB ASP 15 1HB ASP 15 -9.438 -0.522 0.943 95 H SER 16 H SER 16 -8.993 -0.838 3.663 96 HA SER 16 HA SER 16 -6.188 -0.606 4.277 97 1HB SER 16 2HB SER 16 -7.996 -2.951 4.865 98 2HB SER 16 1HB SER 16 -6.519 -2.491 5.708 99 HG SER 16 HG SER 16 -8.100 -0.404 5.822 100 H CYS 17 H CYS 17 -4.571 -2.051 3.609 101 HA CYS 17 HA CYS 17 -4.734 -2.930 0.937 102 1HB CYS 17 2HB CYS 17 -2.723 -3.909 2.965 103 2HB CYS 17 1HB CYS 17 -2.516 -3.746 1.226 104 H CYS 18 H CYS 18 -5.027 -4.935 0.043 105 HA CYS 18 HA CYS 18 -6.544 -6.894 1.412 106 1HB CYS 18 2HB CYS 18 -4.896 -7.315 -1.097 107 2HB CYS 18 1HB CYS 18 -6.286 -8.251 -0.577 108 H LYS 19 H LYS 19 -5.885 -8.853 2.282 109 HA LYS 19 HA LYS 19 -3.148 -8.854 3.155 110 1HB LYS 19 2HB LYS 19 -5.230 -10.969 3.664 111 2HB LYS 19 1HB LYS 19 -3.750 -10.696 4.550 112 1HG LYS 19 2HG LYS 19 -6.102 -8.827 4.457 113 2HG LYS 19 1HG LYS 19 -5.650 -9.873 5.806 114 1HD LYS 19 2HD LYS 19 -3.611 -8.658 6.149 115 2HD LYS 19 1HD LYS 19 -3.859 -7.726 4.672 116 1HE LYS 19 2HE LYS 19 -4.418 -6.383 6.608 117 2HE LYS 19 1HE LYS 19 -5.869 -6.720 5.667 118 1HZ LYS 19 1HZ LYS 19 -6.725 -8.040 7.286 119 2HZ LYS 19 2HZ LYS 19 -5.810 -7.008 8.264 120 3HZ LYS 19 3HZ LYS 19 -5.213 -8.538 7.861 121 HA PRO 20 HA PRO 20 -1.894 -10.126 3.918 122 1HB PRO 20 2HB PRO 20 0.503 -11.301 3.775 123 2HB PRO 20 1HB PRO 20 -0.969 -12.243 4.037 124 1HG PRO 20 2HG PRO 20 0.709 -12.003 1.608 125 2HG PRO 20 1HG PRO 20 -0.330 -13.338 2.131 126 1HD PRO 20 2HD PRO 20 -0.936 -11.251 0.250 127 2HD PRO 20 1HD PRO 20 -1.984 -12.582 0.781 128 H TYR 21 H TYR 21 -1.759 -8.399 1.446 129 HA TYR 21 HA TYR 21 0.951 -7.423 1.310 130 1HB TYR 21 2HB TYR 21 -1.515 -5.971 0.314 131 2HB TYR 21 1HB TYR 21 0.152 -5.731 -0.181 132 HD1 TYR 21 1HD TYR 21 -2.651 -8.171 -0.328 133 HD2 TYR 21 2HD TYR 21 1.079 -6.939 -1.953 134 HE1 TYR 21 1HE TYR 21 -2.957 -9.737 -2.197 135 HE2 TYR 21 2HE TYR 21 0.785 -8.501 -3.825 136 HH TYR 21 HH TYR 21 -1.570 -9.569 -4.955 137 H LEU 22 H LEU 22 1.510 -5.148 1.806 138 HA LEU 22 HA LEU 22 -0.060 -4.009 3.999 139 1HB LEU 22 2HB LEU 22 1.589 -5.468 5.045 140 2HB LEU 22 1HB LEU 22 2.878 -4.675 4.162 141 HG LEU 22 HG LEU 22 2.357 -2.566 5.382 142 1HD1 LEU 22 1HD1 LEU 22 0.162 -2.670 6.076 143 2HD1 LEU 22 2HD1 LEU 22 1.026 -3.034 7.569 144 3HD1 LEU 22 3HD1 LEU 22 0.303 -4.339 6.628 145 1HD2 LEU 22 1HD2 LEU 22 3.130 -5.038 6.899 146 2HD2 LEU 22 2HD2 LEU 22 3.175 -3.433 7.630 147 3HD2 LEU 22 3HD2 LEU 22 4.175 -3.790 6.222 148 H CYS 23 H CYS 23 0.025 -1.829 4.161 149 HA CYS 23 HA CYS 23 0.893 -0.314 1.933 150 1HB CYS 23 2HB CYS 23 -1.053 0.308 3.333 151 2HB CYS 23 1HB CYS 23 0.034 0.637 4.676 152 H SER 24 H SER 24 2.766 0.768 1.589 153 HA SER 24 HA SER 24 4.659 0.816 3.834 154 1HB SER 24 2HB SER 24 6.484 0.564 2.194 155 2HB SER 24 1HB SER 24 5.369 -0.800 2.148 156 HG SER 24 HG SER 24 4.342 0.321 0.342 157 H CYS 25 H CYS 25 5.450 2.659 4.416 158 HA CYS 25 HA CYS 25 5.160 5.015 2.670 159 1HB CYS 25 2HB CYS 25 5.037 4.787 5.689 160 2HB CYS 25 1HB CYS 25 5.211 6.322 4.849 161 H ILE 26 H ILE 26 7.257 3.900 1.941 162 HA ILE 26 HA ILE 26 9.551 3.949 3.592 163 HB ILE 26 HB ILE 26 10.800 3.697 1.403 164 1HG1 ILE 26 2HG1 ILE 26 7.980 3.515 0.312 165 2HG1 ILE 26 1HG1 ILE 26 9.109 4.826 -0.015 166 1HG2 ILE 26 1HG2 ILE 26 10.273 1.791 2.730 167 2HG2 ILE 26 2HG2 ILE 26 9.903 1.394 1.052 168 3HG2 ILE 26 3HG2 ILE 26 8.601 1.793 2.172 169 1HD1 ILE 26 1HD1 ILE 26 10.203 2.203 -0.631 170 2HD1 ILE 26 2HD1 ILE 26 10.139 3.668 -1.612 171 3HD1 ILE 26 3HD1 ILE 26 8.747 2.587 -1.549 172 H PHE 27 H PHE 27 8.566 6.432 3.964 173 HA PHE 27 HA PHE 27 9.114 8.624 4.051 174 1HB PHE 27 2HB PHE 27 11.752 7.435 3.228 175 2HB PHE 27 1HB PHE 27 11.567 9.161 3.505 176 HD1 PHE 27 1HD PHE 27 12.452 9.810 5.505 177 HD2 PHE 27 2HD PHE 27 10.420 6.077 5.293 178 HE1 PHE 27 1HE PHE 27 12.836 9.469 7.910 179 HE2 PHE 27 2HE PHE 27 10.798 5.731 7.698 180 HZ PHE 27 HZ PHE 27 12.007 7.428 9.011 181 H PHE 28 H PHE 28 8.157 7.416 1.455 182 HA PHE 28 HA PHE 28 8.733 9.776 -0.177 183 1HB PHE 28 2HB PHE 28 8.900 6.913 -1.060 184 2HB PHE 28 1HB PHE 28 8.496 8.176 -2.206 185 HD1 PHE 28 1HD PHE 28 10.180 9.184 -3.378 186 HD2 PHE 28 2HD PHE 28 11.095 7.354 0.351 187 HE1 PHE 28 1HE PHE 28 12.570 9.632 -3.750 188 HE2 PHE 28 2HE PHE 28 13.486 7.804 -0.011 189 HZ PHE 28 HZ PHE 28 14.227 8.944 -2.063 190 H TYR 29 H TYR 29 7.029 10.627 -1.133 191 HA TYR 29 HA TYR 29 4.415 9.505 -0.517 192 1HB TYR 29 2HB TYR 29 4.964 11.931 -0.084 193 2HB TYR 29 1HB TYR 29 5.074 12.157 -1.826 194 HD1 TYR 29 1HD TYR 29 2.678 10.732 0.673 195 HD2 TYR 29 2HD TYR 29 3.209 13.004 -2.886 196 HE1 TYR 29 1HE TYR 29 0.255 11.136 0.576 197 HE2 TYR 29 2HE TYR 29 0.788 13.415 -2.991 198 HH TYR 29 HH TYR 29 -1.420 11.752 -1.641 199 HA PRO 30 HA PRO 30 2.680 9.158 -0.974 200 1HB PRO 30 2HB PRO 30 0.720 7.712 -2.139 201 2HB PRO 30 1HB PRO 30 0.897 9.449 -2.392 202 1HG PRO 30 2HG PRO 30 1.362 7.255 -4.264 203 2HG PRO 30 1HG PRO 30 1.200 8.986 -4.592 204 1HD PRO 30 2HD PRO 30 3.623 7.377 -4.319 205 2HD PRO 30 1HD PRO 30 3.441 9.034 -4.932 206 H CYS 31 H CYS 31 1.632 7.283 0.174 207 HA CYS 31 HA CYS 31 3.495 5.091 0.357 208 1HB CYS 31 2HB CYS 31 0.877 5.535 1.808 209 2HB CYS 31 1HB CYS 31 2.085 4.330 2.218 210 H SER 32 H SER 32 3.014 2.901 -0.118 211 HA SER 32 HA SER 32 0.442 2.356 -1.361 212 1HB SER 32 2HB SER 32 1.927 1.238 -3.288 213 2HB SER 32 1HB SER 32 1.363 2.907 -3.375 214 HG SER 32 HG SER 32 3.348 3.617 -2.707 215 H CYS 33 H CYS 33 -0.240 0.309 -1.161 216 HA CYS 33 HA CYS 33 1.077 -1.440 0.633 217 1HB CYS 33 2HB CYS 33 -1.098 -2.276 -1.287 218 2HB CYS 33 1HB CYS 33 -0.730 -2.939 0.292 219 H ARG 34 H ARG 34 2.496 -2.975 0.281 220 HA ARG 34 HA ARG 34 3.065 -3.769 -2.504 221 1HB ARG 34 2HB ARG 34 5.056 -3.720 -0.227 222 2HB ARG 34 1HB ARG 34 5.392 -3.970 -1.933 223 1HG ARG 34 2HG ARG 34 4.368 -1.407 -0.738 224 2HG ARG 34 1HG ARG 34 6.055 -1.746 -1.125 225 1HD ARG 34 2HD ARG 34 5.516 -1.957 -3.468 226 2HD ARG 34 1HD ARG 34 3.796 -1.777 -3.123 227 HE ARG 34 HE ARG 34 4.092 0.477 -3.129 228 1HH1 ARG 34 1HH1 ARG 34 7.227 -0.988 -2.541 229 2HH1 ARG 34 2HH1 ARG 34 8.062 0.527 -2.494 230 1HH2 ARG 34 1HH2 ARG 34 5.178 2.459 -3.060 231 2HH2 ARG 34 2HH2 ARG 34 6.894 2.500 -2.790 232 HA PRO 35 HA PRO 35 2.363 -7.987 -1.400 233 1HB PRO 35 2HB PRO 35 4.663 -9.238 -2.283 234 2HB PRO 35 1HB PRO 35 3.292 -8.812 -3.313 235 1HG PRO 35 2HG PRO 35 5.873 -7.362 -2.894 236 2HG PRO 35 1HG PRO 35 4.959 -7.618 -4.393 237 1HD PRO 35 2HD PRO 35 4.886 -5.273 -3.098 238 2HD PRO 35 1HD PRO 35 3.445 -5.928 -3.903 239 H LYS 36 H LYS 36 3.039 -9.686 0.056 240 HA LYS 36 HA LYS 36 4.509 -8.644 2.291 241 1HB LYS 36 2HB LYS 36 2.455 -10.107 2.463 242 2HB LYS 36 1HB LYS 36 3.457 -11.454 1.934 243 1HG LYS 36 2HG LYS 36 4.897 -11.156 3.887 244 2HG LYS 36 1HG LYS 36 3.891 -9.806 4.419 245 1HD LYS 36 2HD LYS 36 1.951 -11.376 4.491 246 2HD LYS 36 1HD LYS 36 3.072 -12.696 4.148 247 1HE LYS 36 2HE LYS 36 2.636 -12.540 6.535 248 2HE LYS 36 1HE LYS 36 4.321 -12.154 6.186 249 1HZ LYS 36 1HZ LYS 36 2.488 -10.605 7.572 250 2HZ LYS 36 2HZ LYS 36 2.760 -9.803 6.107 251 3HZ LYS 36 3HZ LYS 36 4.062 -10.178 7.120 252 H GLY 37 H GLY 37 6.461 -8.331 1.157 253 1HA GLY 37 2HA GLY 37 8.644 -9.633 1.730 254 2HA GLY 37 1HA GLY 37 8.022 -10.713 0.482 255 H TRP 38 H TRP 38 7.966 -7.204 0.786 256 HA TRP 38 HA TRP 38 8.708 -6.849 -1.956 257 1HB TRP 38 2HB TRP 38 8.489 -4.442 -1.461 258 2HB TRP 38 1HB TRP 38 7.084 -5.350 -0.920 259 HD1 TRP 38 HD TRP 38 10.385 -4.051 0.693 260 HE1 TRP 38 1HE TRP 38 9.830 -3.214 3.059 261 HE3 TRP 38 3HE TRP 38 5.400 -5.184 0.814 262 HZ2 TRP 38 2HZ TRP 38 7.582 -3.050 4.753 263 HZ3 TRP 38 3HZ TRP 38 4.122 -4.655 2.845 264 HH2 TRP 38 HH TRP 38 5.191 -3.610 4.774 Start of MODEL 8 1 1H LYS 1 1HT LYS 1 -12.828 -5.503 0.285 2 2H LYS 1 2HT LYS 1 -12.347 -5.458 -1.335 3 H LYS 1 H LYS 1 -13.092 -5.565 0.212 4 3H LYS 1 3HT LYS 1 -13.953 -5.118 -0.921 5 HA LYS 1 HA LYS 1 -12.578 -3.130 -1.460 6 1HB LYS 1 2HB LYS 1 -14.672 -3.189 -0.024 7 2HB LYS 1 1HB LYS 1 -13.620 -3.239 1.381 8 1HG LYS 1 2HG LYS 1 -14.381 -0.990 1.047 9 2HG LYS 1 1HG LYS 1 -12.655 -1.067 0.686 10 1HD LYS 1 2HD LYS 1 -13.027 -0.940 -1.634 11 2HD LYS 1 1HD LYS 1 -14.742 -1.317 -1.462 12 1HE LYS 1 2HE LYS 1 -14.472 1.032 -1.960 13 2HE LYS 1 1HE LYS 1 -15.075 0.839 -0.316 14 1HZ LYS 1 1HZ LYS 1 -13.052 1.471 0.587 15 2HZ LYS 1 2HZ LYS 1 -13.178 2.489 -0.755 16 3HZ LYS 1 3HZ LYS 1 -12.178 1.125 -0.820 17 H CYS 2 H CYS 2 -10.340 -3.692 -1.568 18 HA CYS 2 HA CYS 2 -8.810 -2.642 0.612 19 1HB CYS 2 2HB CYS 2 -7.392 -4.672 0.891 20 2HB CYS 2 1HB CYS 2 -9.033 -4.884 1.481 21 H LEU 3 H LEU 3 -6.588 -2.407 0.055 22 HA LEU 3 HA LEU 3 -6.271 -1.733 -2.716 23 1HB LEU 3 2HB LEU 3 -4.368 -1.566 -0.384 24 2HB LEU 3 1HB LEU 3 -4.111 -0.835 -1.953 25 HG LEU 3 HG LEU 3 -6.404 -0.157 -0.121 26 1HD1 LEU 3 1HD1 LEU 3 -5.228 1.535 0.787 27 2HD1 LEU 3 2HD1 LEU 3 -4.263 1.793 -0.667 28 3HD1 LEU 3 3HD1 LEU 3 -3.870 0.467 0.428 29 1HD2 LEU 3 1HD2 LEU 3 -6.425 0.161 -2.751 30 2HD2 LEU 3 2HD2 LEU 3 -5.493 1.599 -2.333 31 3HD2 LEU 3 3HD2 LEU 3 -7.106 1.368 -1.660 32 H ALA 4 H ALA 4 -5.120 -2.779 -4.246 33 HA ALA 4 HA ALA 4 -4.351 -5.490 -3.740 34 1HB ALA 4 1HB ALA 4 -3.541 -4.460 -6.321 35 2HB ALA 4 2HB ALA 4 -5.217 -4.061 -5.940 36 3HB ALA 4 3HB ALA 4 -4.684 -5.742 -5.923 37 H GLU 5 H GLU 5 -2.229 -5.915 -5.424 38 HA GLU 5 HA GLU 5 -0.044 -5.222 -3.730 39 1HB GLU 5 2HB GLU 5 1.321 -6.393 -5.550 40 2HB GLU 5 1HB GLU 5 0.146 -7.355 -4.667 41 1HG GLU 5 2HG GLU 5 -0.569 -6.103 -7.287 42 2HG GLU 5 1HG GLU 5 0.330 -7.619 -7.220 43 H ALA 6 H ALA 6 1.346 -3.676 -3.861 44 HA ALA 6 HA ALA 6 2.453 -1.803 -4.474 45 1HB ALA 6 1HB ALA 6 2.585 -3.480 -6.711 46 2HB ALA 6 2HB ALA 6 3.612 -2.093 -6.350 47 3HB ALA 6 3HB ALA 6 2.165 -1.886 -7.338 48 H ALA 7 H ALA 7 -0.288 -1.649 -3.893 49 HA ALA 7 HA ALA 7 -1.284 0.396 -5.762 50 1HB ALA 7 1HB ALA 7 -3.304 -0.461 -5.417 51 2HB ALA 7 2HB ALA 7 -3.151 -0.224 -3.676 52 3HB ALA 7 3HB ALA 7 -2.564 -1.712 -4.418 53 H ASP 8 H ASP 8 -1.678 2.497 -5.107 54 HA ASP 8 HA ASP 8 -0.176 3.482 -2.943 55 1HB ASP 8 2HB ASP 8 -1.056 5.645 -3.473 56 2HB ASP 8 1HB ASP 8 -0.803 4.790 -4.988 57 H CYS 9 H CYS 9 -0.806 4.396 -0.979 58 HA CYS 9 HA CYS 9 -3.518 3.827 -0.060 59 1HB CYS 9 2HB CYS 9 -2.334 3.102 2.174 60 2HB CYS 9 1HB CYS 9 -2.628 1.946 0.886 61 H SER 10 H SER 10 -4.235 5.044 1.619 62 HA SER 10 HA SER 10 -3.010 7.638 1.839 63 1HB SER 10 2HB SER 10 -5.444 6.593 3.295 64 2HB SER 10 1HB SER 10 -5.021 8.277 2.981 65 HG SER 10 HG SER 10 -5.055 7.238 0.634 66 HA PRO 11 HA PRO 11 -0.568 6.644 5.404 67 1HB PRO 11 2HB PRO 11 -0.029 9.196 6.179 68 2HB PRO 11 1HB PRO 11 0.752 8.416 4.798 69 1HG PRO 11 2HG PRO 11 -1.619 10.258 4.831 70 2HG PRO 11 1HG PRO 11 -0.186 10.318 3.795 71 1HD PRO 11 2HD PRO 11 -2.459 9.273 2.896 72 2HD PRO 11 1HD PRO 11 -0.897 8.527 2.489 73 H TRP 12 H TRP 12 -2.922 9.302 5.871 74 HA TRP 12 HA TRP 12 -3.063 8.780 8.687 75 1HB TRP 12 2HB TRP 12 -4.751 10.594 6.956 76 2HB TRP 12 1HB TRP 12 -4.785 10.551 8.715 77 HD1 TRP 12 HD TRP 12 -2.463 11.361 9.970 78 HE1 TRP 12 1HE TRP 12 -0.757 13.145 9.244 79 HE3 TRP 12 3HE TRP 12 -3.676 11.680 5.013 80 HZ2 TRP 12 2HZ TRP 12 -0.026 14.513 6.886 81 HZ3 TRP 12 3HZ TRP 12 -2.429 13.255 3.593 82 HH2 TRP 12 HH TRP 12 -0.642 14.642 4.512 83 H SER 13 H SER 13 -5.401 8.484 6.009 84 HA SER 13 HA SER 13 -6.563 6.144 7.220 85 1HB SER 13 2HB SER 13 -8.205 8.687 7.068 86 2HB SER 13 1HB SER 13 -8.854 7.088 7.425 87 HG SER 13 HG SER 13 -6.771 7.622 9.046 88 H GLY 14 H GLY 14 -7.553 4.883 5.748 89 1HA GLY 14 2HA GLY 14 -8.889 5.742 3.435 90 2HA GLY 14 1HA GLY 14 -7.227 5.353 3.005 91 H ASP 15 H ASP 15 -8.049 3.599 1.700 92 HA ASP 15 HA ASP 15 -9.518 1.465 2.916 93 1HB ASP 15 2HB ASP 15 -8.387 1.989 0.257 94 2HB ASP 15 1HB ASP 15 -8.379 0.300 0.723 95 H SER 16 H SER 16 -8.796 -0.610 3.359 96 HA SER 16 HA SER 16 -6.100 -0.693 4.410 97 1HB SER 16 2HB SER 16 -8.137 -2.912 4.494 98 2HB SER 16 1HB SER 16 -6.763 -2.666 5.568 99 HG SER 16 HG SER 16 -8.371 -0.503 5.580 100 H CYS 17 H CYS 17 -4.521 -2.157 3.736 101 HA CYS 17 HA CYS 17 -4.609 -2.836 0.957 102 1HB CYS 17 2HB CYS 17 -2.575 -3.840 2.951 103 2HB CYS 17 1HB CYS 17 -2.364 -3.575 1.226 104 H CYS 18 H CYS 18 -4.871 -4.869 0.032 105 HA CYS 18 HA CYS 18 -6.365 -6.817 1.426 106 1HB CYS 18 2HB CYS 18 -4.739 -7.172 -1.111 107 2HB CYS 18 1HB CYS 18 -6.007 -8.246 -0.542 108 H LYS 19 H LYS 19 -5.724 -8.749 2.343 109 HA LYS 19 HA LYS 19 -3.055 -8.738 3.370 110 1HB LYS 19 2HB LYS 19 -3.785 -10.782 4.563 111 2HB LYS 19 1HB LYS 19 -4.845 -9.415 4.826 112 1HG LYS 19 2HG LYS 19 -6.444 -10.328 3.239 113 2HG LYS 19 1HG LYS 19 -5.365 -11.685 2.915 114 1HD LYS 19 2HD LYS 19 -7.094 -12.372 4.461 115 2HD LYS 19 1HD LYS 19 -5.537 -12.348 5.289 116 1HE LYS 19 2HE LYS 19 -6.084 -10.164 6.249 117 2HE LYS 19 1HE LYS 19 -7.637 -10.185 5.417 118 1HZ LYS 19 1HZ LYS 19 -7.842 -12.458 6.700 119 2HZ LYS 19 2HZ LYS 19 -8.263 -10.991 7.429 120 3HZ LYS 19 3HZ LYS 19 -6.763 -11.697 7.760 121 HA PRO 20 HA PRO 20 -1.645 -9.729 4.095 122 1HB PRO 20 2HB PRO 20 0.778 -10.865 4.039 123 2HB PRO 20 1HB PRO 20 -0.674 -11.805 4.402 124 1HG PRO 20 2HG PRO 20 1.017 -11.839 1.994 125 2HG PRO 20 1HG PRO 20 -0.122 -13.060 2.582 126 1HD PRO 20 2HD PRO 20 -0.533 -10.992 0.572 127 2HD PRO 20 1HD PRO 20 -1.597 -12.346 1.011 128 H TYR 21 H TYR 21 -1.610 -8.100 1.652 129 HA TYR 21 HA TYR 21 1.099 -7.146 1.297 130 1HB TYR 21 2HB TYR 21 -1.435 -5.737 0.413 131 2HB TYR 21 1HB TYR 21 0.185 -5.566 -0.250 132 HD1 TYR 21 1HD TYR 21 0.801 -8.585 -0.337 133 HD2 TYR 21 2HD TYR 21 -2.541 -6.288 -1.624 134 HE1 TYR 21 1HE TYR 21 0.279 -10.297 -2.020 135 HE2 TYR 21 2HE TYR 21 -3.070 -7.995 -3.312 136 HH TYR 21 HH TYR 21 -1.756 -9.790 -4.593 137 H LEU 22 H LEU 22 1.917 -5.138 1.990 138 HA LEU 22 HA LEU 22 0.362 -3.866 4.146 139 1HB LEU 22 2HB LEU 22 2.069 -5.282 5.112 140 2HB LEU 22 1HB LEU 22 3.300 -4.537 4.112 141 HG LEU 22 HG LEU 22 2.897 -2.384 5.312 142 1HD1 LEU 22 1HD1 LEU 22 0.557 -3.069 6.025 143 2HD1 LEU 22 2HD1 LEU 22 1.552 -2.256 7.234 144 3HD1 LEU 22 3HD1 LEU 22 1.335 -4.005 7.300 145 1HD2 LEU 22 1HD2 LEU 22 3.535 -4.018 7.591 146 2HD2 LEU 22 2HD2 LEU 22 4.583 -2.975 6.630 147 3HD2 LEU 22 3HD2 LEU 22 4.313 -4.646 6.138 148 H CYS 23 H CYS 23 0.334 -1.702 4.227 149 HA CYS 23 HA CYS 23 1.141 -0.175 1.976 150 1HB CYS 23 2HB CYS 23 -0.826 0.386 3.365 151 2HB CYS 23 1HB CYS 23 0.240 0.745 4.717 152 H SER 24 H SER 24 3.070 0.729 1.563 153 HA SER 24 HA SER 24 4.961 0.937 3.800 154 1HB SER 24 2HB SER 24 6.752 0.807 2.083 155 2HB SER 24 1HB SER 24 5.721 -0.623 2.099 156 HG SER 24 HG SER 24 4.550 0.429 0.331 157 H CYS 25 H CYS 25 5.631 2.847 4.415 158 HA CYS 25 HA CYS 25 5.175 5.169 2.665 159 1HB CYS 25 2HB CYS 25 5.175 4.996 5.691 160 2HB CYS 25 1HB CYS 25 5.110 6.505 4.789 161 H ILE 26 H ILE 26 7.319 4.241 1.875 162 HA ILE 26 HA ILE 26 9.643 4.549 3.487 163 HB ILE 26 HB ILE 26 9.473 2.945 1.658 164 1HG1 ILE 26 2HG1 ILE 26 11.710 4.934 1.236 165 2HG1 ILE 26 1HG1 ILE 26 11.689 3.676 2.468 166 1HG2 ILE 26 1HG2 ILE 26 9.286 3.447 -0.572 167 2HG2 ILE 26 2HG2 ILE 26 9.934 5.075 -0.371 168 3HG2 ILE 26 3HG2 ILE 26 8.290 4.709 0.154 169 1HD1 ILE 26 1HD1 ILE 26 11.257 2.691 -0.248 170 2HD1 ILE 26 2HD1 ILE 26 12.325 2.098 1.025 171 3HD1 ILE 26 3HD1 ILE 26 12.827 3.452 0.012 172 H PHE 27 H PHE 27 8.400 6.859 3.765 173 HA PHE 27 HA PHE 27 8.647 9.107 3.799 174 1HB PHE 27 2HB PHE 27 11.406 8.311 2.890 175 2HB PHE 27 1HB PHE 27 10.968 9.987 3.196 176 HD1 PHE 27 1HD PHE 27 11.791 10.757 5.176 177 HD2 PHE 27 2HD PHE 27 10.394 6.741 4.978 178 HE1 PHE 27 1HE PHE 27 12.307 10.464 7.561 179 HE2 PHE 27 2HE PHE 27 10.905 6.443 7.366 180 HZ PHE 27 HZ PHE 27 11.863 8.305 8.661 181 H PHE 28 H PHE 28 7.720 7.780 1.267 182 HA PHE 28 HA PHE 28 8.114 10.120 -0.464 183 1HB PHE 28 2HB PHE 28 8.148 7.226 -1.224 184 2HB PHE 28 1HB PHE 28 7.621 8.430 -2.382 185 HD1 PHE 28 1HD PHE 28 10.461 8.046 0.030 186 HD2 PHE 28 2HD PHE 28 9.189 9.040 -3.904 187 HE1 PHE 28 1HE PHE 28 12.796 8.474 -0.612 188 HE2 PHE 28 2HE PHE 28 11.522 9.469 -4.555 189 HZ PHE 28 HZ PHE 28 13.330 9.186 -2.907 190 H TYR 29 H TYR 29 6.341 11.014 -1.218 191 HA TYR 29 HA TYR 29 3.777 9.944 -0.345 192 1HB TYR 29 2HB TYR 29 4.381 12.333 0.089 193 2HB TYR 29 1HB TYR 29 4.394 12.608 -1.650 194 HD1 TYR 29 1HD TYR 29 2.532 13.695 -2.448 195 HD2 TYR 29 2HD TYR 29 2.076 11.016 0.827 196 HE1 TYR 29 1HE TYR 29 0.123 14.188 -2.387 197 HE2 TYR 29 2HE TYR 29 -0.333 11.501 0.896 198 HH TYR 29 HH TYR 29 -1.761 14.014 -1.085 199 HA PRO 30 HA PRO 30 2.126 9.360 -0.571 200 1HB PRO 30 2HB PRO 30 0.179 7.762 -1.449 201 2HB PRO 30 1HB PRO 30 0.151 9.497 -1.783 202 1HG PRO 30 2HG PRO 30 0.725 7.238 -3.603 203 2HG PRO 30 1HG PRO 30 0.097 8.852 -3.974 204 1HD PRO 30 2HD PRO 30 2.804 7.907 -4.189 205 2HD PRO 30 1HD PRO 30 2.176 9.522 -4.566 206 H CYS 31 H CYS 31 1.315 7.191 0.441 207 HA CYS 31 HA CYS 31 3.531 5.350 0.405 208 1HB CYS 31 2HB CYS 31 0.898 5.159 1.890 209 2HB CYS 31 1HB CYS 31 2.346 4.216 2.213 210 H SER 32 H SER 32 3.076 2.937 0.168 211 HA SER 32 HA SER 32 0.769 2.333 -1.495 212 1HB SER 32 2HB SER 32 2.413 1.237 -3.194 213 2HB SER 32 1HB SER 32 2.122 2.976 -3.273 214 HG SER 32 HG SER 32 4.043 3.223 -1.974 215 H CYS 33 H CYS 33 0.011 0.360 -1.139 216 HA CYS 33 HA CYS 33 1.227 -1.384 0.749 217 1HB CYS 33 2HB CYS 33 -1.005 -2.109 -1.156 218 2HB CYS 33 1HB CYS 33 -0.655 -2.817 0.413 219 H ARG 34 H ARG 34 2.754 -2.785 0.386 220 HA ARG 34 HA ARG 34 3.329 -3.597 -2.371 221 1HB ARG 34 2HB ARG 34 5.057 -3.653 0.114 222 2HB ARG 34 1HB ARG 34 5.564 -4.224 -1.471 223 1HG ARG 34 2HG ARG 34 4.735 -1.401 -0.829 224 2HG ARG 34 1HG ARG 34 6.399 -1.974 -0.975 225 1HD ARG 34 2HD ARG 34 6.206 -2.333 -3.263 226 2HD ARG 34 1HD ARG 34 4.445 -2.377 -3.205 227 HE ARG 34 HE ARG 34 5.165 0.169 -2.421 228 1HH1 ARG 34 1HH1 ARG 34 5.649 -1.819 -5.260 229 2HH1 ARG 34 2HH1 ARG 34 5.600 -0.486 -6.364 230 1HH2 ARG 34 1HH2 ARG 34 5.075 1.931 -3.863 231 2HH2 ARG 34 2HH2 ARG 34 5.277 1.658 -5.567 232 HA PRO 35 HA PRO 35 1.978 -7.720 -1.637 233 1HB PRO 35 2HB PRO 35 4.212 -8.759 -3.197 234 2HB PRO 35 1HB PRO 35 2.491 -8.764 -3.582 235 1HG PRO 35 2HG PRO 35 4.363 -7.215 -4.853 236 2HG PRO 35 1HG PRO 35 2.634 -6.839 -4.778 237 1HD PRO 35 2HD PRO 35 4.900 -5.627 -3.318 238 2HD PRO 35 1HD PRO 35 3.337 -4.922 -3.769 239 H LYS 36 H LYS 36 2.490 -9.480 -0.287 240 HA LYS 36 HA LYS 36 4.799 -9.031 1.348 241 1HB LYS 36 2HB LYS 36 2.342 -10.179 1.854 242 2HB LYS 36 1HB LYS 36 3.437 -11.561 1.839 243 1HG LYS 36 2HG LYS 36 3.825 -9.066 3.489 244 2HG LYS 36 1HG LYS 36 3.162 -10.586 4.087 245 1HD LYS 36 2HD LYS 36 5.187 -11.555 4.226 246 2HD LYS 36 1HD LYS 36 5.740 -10.845 2.713 247 1HE LYS 36 2HE LYS 36 5.521 -9.320 5.306 248 2HE LYS 36 1HE LYS 36 6.997 -10.111 4.760 249 1HZ LYS 36 1HZ LYS 36 5.704 -8.240 2.914 250 2HZ LYS 36 2HZ LYS 36 7.356 -8.552 3.146 251 3HZ LYS 36 3HZ LYS 36 6.506 -7.587 4.249 252 H GLY 37 H GLY 37 6.600 -10.107 1.387 253 1HA GLY 37 2HA GLY 37 7.609 -12.429 0.761 254 2HA GLY 37 1HA GLY 37 7.237 -11.841 -0.868 255 H TRP 38 H TRP 38 7.519 -9.136 -0.183 256 HA TRP 38 HA TRP 38 10.408 -8.832 -0.286 257 1HB TRP 38 2HB TRP 38 8.130 -6.864 -0.698 258 2HB TRP 38 1HB TRP 38 9.832 -6.437 -0.800 259 HD1 TRP 38 HD TRP 38 10.804 -6.461 -3.144 260 HE1 TRP 38 1HE TRP 38 10.165 -7.477 -5.415 261 HE3 TRP 38 3HE TRP 38 6.726 -9.192 -1.703 262 HZ2 TRP 38 2HZ TRP 38 8.197 -9.197 -6.464 263 HZ3 TRP 38 3HZ TRP 38 5.519 -10.489 -3.408 264 HH2 TRP 38 HH TRP 38 6.240 -10.490 -5.740 Start of MODEL 9 1 1H LYS 1 1HT LYS 1 -13.227 -4.487 1.657 2 2H LYS 1 2HT LYS 1 -13.862 -5.640 0.591 3 H LYS 1 H LYS 1 -13.595 -4.232 1.651 4 3H LYS 1 3HT LYS 1 -14.575 -4.110 0.705 5 HA LYS 1 HA LYS 1 -12.683 -4.883 -1.101 6 1HB LYS 1 2HB LYS 1 -14.407 -3.035 -1.185 7 2HB LYS 1 1HB LYS 1 -13.330 -2.064 -0.192 8 1HG LYS 1 2HG LYS 1 -11.720 -1.911 -1.904 9 2HG LYS 1 1HG LYS 1 -12.477 -3.201 -2.838 10 1HD LYS 1 2HD LYS 1 -13.005 -1.110 -3.885 11 2HD LYS 1 1HD LYS 1 -14.471 -1.732 -3.128 12 1HE LYS 1 2HE LYS 1 -14.344 0.612 -2.679 13 2HE LYS 1 1HE LYS 1 -14.006 -0.246 -1.177 14 1HZ LYS 1 1HZ LYS 1 -11.719 0.468 -2.838 15 2HZ LYS 1 2HZ LYS 1 -11.865 0.439 -1.150 16 3HZ LYS 1 3HZ LYS 1 -12.506 1.732 -2.037 17 H CYS 2 H CYS 2 -10.509 -4.123 -1.496 18 HA CYS 2 HA CYS 2 -9.023 -2.875 0.615 19 1HB CYS 2 2HB CYS 2 -7.459 -4.816 0.912 20 2HB CYS 2 1HB CYS 2 -9.065 -5.070 1.586 21 H LEU 3 H LEU 3 -6.777 -2.600 0.039 22 HA LEU 3 HA LEU 3 -6.515 -1.933 -2.740 23 1HB LEU 3 2HB LEU 3 -4.577 -1.691 -0.441 24 2HB LEU 3 1HB LEU 3 -4.383 -0.956 -2.015 25 HG LEU 3 HG LEU 3 -6.610 -0.333 -0.085 26 1HD1 LEU 3 1HD1 LEU 3 -5.495 1.716 0.371 27 2HD1 LEU 3 2HD1 LEU 3 -4.262 1.383 -0.846 28 3HD1 LEU 3 3HD1 LEU 3 -4.335 0.412 0.623 29 1HD2 LEU 3 1HD2 LEU 3 -6.647 -0.039 -2.793 30 2HD2 LEU 3 2HD2 LEU 3 -6.001 1.518 -2.274 31 3HD2 LEU 3 3HD2 LEU 3 -7.556 0.959 -1.658 32 H ALA 4 H ALA 4 -5.378 -2.979 -4.278 33 HA ALA 4 HA ALA 4 -4.424 -5.632 -3.738 34 1HB ALA 4 1HB ALA 4 -5.418 -4.249 -5.958 35 2HB ALA 4 2HB ALA 4 -4.924 -5.940 -5.876 36 3HB ALA 4 3HB ALA 4 -3.766 -4.706 -6.373 37 H GLU 5 H GLU 5 -2.347 -5.887 -5.566 38 HA GLU 5 HA GLU 5 -0.138 -5.069 -3.963 39 1HB GLU 5 2HB GLU 5 1.207 -6.049 -5.939 40 2HB GLU 5 1HB GLU 5 0.233 -7.132 -4.959 41 1HG GLU 5 2HG GLU 5 -0.860 -5.959 -7.482 42 2HG GLU 5 1HG GLU 5 0.192 -7.374 -7.519 43 H ALA 6 H ALA 6 1.164 -3.449 -4.134 44 HA ALA 6 HA ALA 6 2.124 -1.494 -4.757 45 1HB ALA 6 1HB ALA 6 1.561 -1.502 -7.591 46 2HB ALA 6 2HB ALA 6 2.182 -3.062 -7.056 47 3HB ALA 6 3HB ALA 6 3.109 -1.593 -6.750 48 H ALA 7 H ALA 7 -0.545 -1.502 -3.907 49 HA ALA 7 HA ALA 7 -1.845 0.490 -5.630 50 1HB ALA 7 1HB ALA 7 -2.808 -1.551 -3.771 51 2HB ALA 7 2HB ALA 7 -3.575 -0.859 -5.200 52 3HB ALA 7 3HB ALA 7 -3.652 -0.006 -3.658 53 H ASP 8 H ASP 8 -2.178 2.549 -5.043 54 HA ASP 8 HA ASP 8 -0.657 3.761 -3.028 55 1HB ASP 8 2HB ASP 8 -1.357 5.069 -4.910 56 2HB ASP 8 1HB ASP 8 -3.055 4.736 -4.588 57 H CYS 9 H CYS 9 -1.120 4.473 -0.976 58 HA CYS 9 HA CYS 9 -3.802 3.972 0.068 59 1HB CYS 9 2HB CYS 9 -2.456 3.154 2.217 60 2HB CYS 9 1HB CYS 9 -3.020 2.057 0.967 61 H SER 10 H SER 10 -4.489 5.299 1.545 62 HA SER 10 HA SER 10 -2.894 7.669 2.100 63 1HB SER 10 2HB SER 10 -5.789 7.086 2.776 64 2HB SER 10 1HB SER 10 -4.986 8.654 2.858 65 HG SER 10 HG SER 10 -4.652 7.581 0.414 66 HA PRO 11 HA PRO 11 -1.524 6.546 6.109 67 1HB PRO 11 2HB PRO 11 -1.988 9.009 7.355 68 2HB PRO 11 1HB PRO 11 -0.521 8.532 6.497 69 1HG PRO 11 2HG PRO 11 -2.836 10.151 5.541 70 2HG PRO 11 1HG PRO 11 -1.113 10.324 5.170 71 1HD PRO 11 2HD PRO 11 -2.802 9.260 3.404 72 2HD PRO 11 1HD PRO 11 -1.152 8.629 3.592 73 H TRP 12 H TRP 12 -4.625 8.300 5.957 74 HA TRP 12 HA TRP 12 -5.578 6.551 8.116 75 1HB TRP 12 2HB TRP 12 -6.202 9.507 7.916 76 2HB TRP 12 1HB TRP 12 -6.834 8.397 9.126 77 HD1 TRP 12 HD TRP 12 -5.016 7.449 10.953 78 HE1 TRP 12 1HE TRP 12 -2.897 8.564 11.897 79 HE3 TRP 12 3HE TRP 12 -4.332 11.053 7.389 80 HZ2 TRP 12 2HZ TRP 12 -1.171 10.694 11.227 81 HZ3 TRP 12 3HZ TRP 12 -2.428 12.593 7.621 82 HH2 TRP 12 HH TRP 12 -0.881 12.417 9.501 83 H SER 13 H SER 13 -6.728 9.006 5.802 84 HA SER 13 HA SER 13 -9.283 7.728 5.538 85 1HB SER 13 2HB SER 13 -9.532 9.540 3.721 86 2HB SER 13 1HB SER 13 -9.332 10.077 5.390 87 HG SER 13 HG SER 13 -7.604 10.287 3.226 88 H GLY 14 H GLY 14 -7.874 5.676 4.872 89 1HA GLY 14 2HA GLY 14 -8.179 5.491 1.965 90 2HA GLY 14 1HA GLY 14 -6.596 5.124 2.634 91 H ASP 15 H ASP 15 -8.185 3.324 1.157 92 HA ASP 15 HA ASP 15 -9.616 1.517 2.809 93 1HB ASP 15 2HB ASP 15 -9.488 1.774 0.162 94 2HB ASP 15 1HB ASP 15 -8.243 0.551 0.337 95 H SER 16 H SER 16 -8.943 -0.724 3.234 96 HA SER 16 HA SER 16 -6.250 -0.755 4.306 97 1HB SER 16 2HB SER 16 -8.306 -2.954 4.437 98 2HB SER 16 1HB SER 16 -6.893 -2.749 5.467 99 HG SER 16 HG SER 16 -8.562 -0.576 5.452 100 H CYS 17 H CYS 17 -4.653 -2.202 3.692 101 HA CYS 17 HA CYS 17 -4.674 -2.944 0.934 102 1HB CYS 17 2HB CYS 17 -2.691 -3.836 3.041 103 2HB CYS 17 1HB CYS 17 -2.436 -3.746 1.303 104 H CYS 18 H CYS 18 -4.930 -4.968 0.031 105 HA CYS 18 HA CYS 18 -6.429 -6.921 1.411 106 1HB CYS 18 2HB CYS 18 -4.796 -7.180 -1.134 107 2HB CYS 18 1HB CYS 18 -5.950 -8.374 -0.557 108 H LYS 19 H LYS 19 -5.798 -8.873 2.311 109 HA LYS 19 HA LYS 19 -3.142 -8.859 3.372 110 1HB LYS 19 2HB LYS 19 -3.808 -10.665 4.731 111 2HB LYS 19 1HB LYS 19 -5.197 -9.616 4.623 112 1HG LYS 19 2HG LYS 19 -4.808 -12.121 2.996 113 2HG LYS 19 1HG LYS 19 -5.753 -12.022 4.479 114 1HD LYS 19 2HD LYS 19 -7.424 -10.762 3.480 115 2HD LYS 19 1HD LYS 19 -6.362 -10.192 2.191 116 1HE LYS 19 2HE LYS 19 -7.352 -13.024 2.508 117 2HE LYS 19 1HE LYS 19 -8.027 -11.831 1.398 118 1HZ LYS 19 1HZ LYS 19 -6.522 -12.468 -0.080 119 2HZ LYS 19 2HZ LYS 19 -5.796 -13.518 1.029 120 3HZ LYS 19 3HZ LYS 19 -5.284 -11.906 0.934 121 HA PRO 20 HA PRO 20 -1.807 -9.825 4.117 122 1HB PRO 20 2HB PRO 20 0.632 -10.936 4.165 123 2HB PRO 20 1HB PRO 20 -0.821 -11.900 4.447 124 1HG PRO 20 2HG PRO 20 0.978 -11.873 2.114 125 2HG PRO 20 1HG PRO 20 -0.156 -13.125 2.642 126 1HD PRO 20 2HD PRO 20 -0.532 -11.050 0.633 127 2HD PRO 20 1HD PRO 20 -1.587 -12.426 1.023 128 H TYR 21 H TYR 21 -1.619 -8.310 1.544 129 HA TYR 21 HA TYR 21 1.037 -7.290 1.295 130 1HB TYR 21 2HB TYR 21 -1.513 -5.956 0.337 131 2HB TYR 21 1HB TYR 21 0.123 -5.658 -0.226 132 HD1 TYR 21 1HD TYR 21 -2.406 -8.406 -0.026 133 HD2 TYR 21 2HD TYR 21 0.903 -6.742 -2.113 134 HE1 TYR 21 1HE TYR 21 -2.681 -10.093 -1.792 135 HE2 TYR 21 2HE TYR 21 0.636 -8.423 -3.885 136 HH TYR 21 HH TYR 21 -1.356 -9.851 -4.785 137 H LEU 22 H LEU 22 1.757 -5.159 1.832 138 HA LEU 22 HA LEU 22 0.241 -3.898 4.016 139 1HB LEU 22 2HB LEU 22 1.960 -5.300 5.000 140 2HB LEU 22 1HB LEU 22 3.184 -4.556 3.992 141 HG LEU 22 HG LEU 22 2.756 -2.392 5.162 142 1HD1 LEU 22 1HD1 LEU 22 0.484 -2.808 5.912 143 2HD1 LEU 22 2HD1 LEU 22 1.531 -2.446 7.285 144 3HD1 LEU 22 3HD1 LEU 22 1.050 -4.112 6.958 145 1HD2 LEU 22 1HD2 LEU 22 4.642 -3.392 5.985 146 2HD2 LEU 22 2HD2 LEU 22 3.780 -4.836 6.518 147 3HD2 LEU 22 3HD2 LEU 22 3.654 -3.341 7.445 148 H CYS 23 H CYS 23 0.267 -1.718 4.082 149 HA CYS 23 HA CYS 23 1.047 -0.265 1.771 150 1HB CYS 23 2HB CYS 23 -0.889 0.352 3.200 151 2HB CYS 23 1HB CYS 23 0.226 0.773 4.496 152 H SER 24 H SER 24 3.004 0.513 1.298 153 HA SER 24 HA SER 24 4.961 0.665 3.467 154 1HB SER 24 2HB SER 24 6.666 0.671 1.650 155 2HB SER 24 1HB SER 24 5.646 -0.766 1.641 156 HG SER 24 HG SER 24 4.379 0.341 -0.003 157 H CYS 25 H CYS 25 5.658 2.506 4.198 158 HA CYS 25 HA CYS 25 5.234 4.964 2.635 159 1HB CYS 25 2HB CYS 25 5.102 4.501 5.622 160 2HB CYS 25 1HB CYS 25 5.247 6.106 4.917 161 H ILE 26 H ILE 26 7.383 4.064 1.811 162 HA ILE 26 HA ILE 26 9.682 4.109 3.465 163 HB ILE 26 HB ILE 26 10.936 4.120 1.270 164 1HG1 ILE 26 2HG1 ILE 26 8.131 3.890 0.150 165 2HG1 ILE 26 1HG1 ILE 26 9.195 5.278 -0.055 166 1HG2 ILE 26 1HG2 ILE 26 10.400 1.823 0.814 167 2HG2 ILE 26 2HG2 ILE 26 8.828 1.994 1.595 168 3HG2 ILE 26 3HG2 ILE 26 10.305 2.101 2.553 169 1HD1 ILE 26 1HD1 ILE 26 8.942 3.207 -1.802 170 2HD1 ILE 26 2HD1 ILE 26 10.384 2.749 -0.895 171 3HD1 ILE 26 3HD1 ILE 26 10.317 4.308 -1.719 172 H PHE 27 H PHE 27 8.494 6.496 4.004 173 HA PHE 27 HA PHE 27 8.894 8.707 4.269 174 1HB PHE 27 2HB PHE 27 11.619 7.760 3.416 175 2HB PHE 27 1HB PHE 27 11.314 9.445 3.804 176 HD1 PHE 27 1HD PHE 27 10.333 6.186 5.363 177 HD2 PHE 27 2HD PHE 27 12.144 10.006 5.855 178 HE1 PHE 27 1HE PHE 27 10.691 5.704 7.748 179 HE2 PHE 27 2HE PHE 27 12.506 9.530 8.241 180 HZ PHE 27 HZ PHE 27 11.780 7.377 9.190 181 H PHE 28 H PHE 28 8.048 7.640 1.577 182 HA PHE 28 HA PHE 28 8.473 10.148 0.136 183 1HB PHE 28 2HB PHE 28 8.899 7.383 -0.955 184 2HB PHE 28 1HB PHE 28 8.421 8.697 -2.014 185 HD1 PHE 28 1HD PHE 28 10.025 10.024 -2.985 186 HD2 PHE 28 2HD PHE 28 11.032 7.787 0.490 187 HE1 PHE 28 1HE PHE 28 12.379 10.689 -3.244 188 HE2 PHE 28 2HE PHE 28 13.387 8.452 0.241 189 HZ PHE 28 HZ PHE 28 14.064 9.905 -1.628 190 H TYR 29 H TYR 29 6.731 10.905 -0.871 191 HA TYR 29 HA TYR 29 4.201 9.558 -0.362 192 1HB TYR 29 2HB TYR 29 4.564 12.007 0.165 193 2HB TYR 29 1HB TYR 29 4.666 12.298 -1.567 194 HD1 TYR 29 1HD TYR 29 2.749 13.039 -2.609 195 HD2 TYR 29 2HD TYR 29 2.374 10.608 0.862 196 HE1 TYR 29 1HE TYR 29 0.304 13.280 -2.710 197 HE2 TYR 29 2HE TYR 29 -0.072 10.840 0.769 198 HH TYR 29 HH TYR 29 -1.778 11.451 -1.495 199 HA PRO 30 HA PRO 30 2.495 9.126 -0.881 200 1HB PRO 30 2HB PRO 30 0.627 7.667 -2.114 201 2HB PRO 30 1HB PRO 30 0.776 9.402 -2.404 202 1HG PRO 30 2HG PRO 30 1.461 7.141 -4.168 203 2HG PRO 30 1HG PRO 30 1.090 8.821 -4.586 204 1HD PRO 30 2HD PRO 30 3.680 7.566 -4.289 205 2HD PRO 30 1HD PRO 30 3.307 9.219 -4.817 206 H CYS 31 H CYS 31 1.578 7.175 0.206 207 HA CYS 31 HA CYS 31 3.534 5.056 0.294 208 1HB CYS 31 2HB CYS 31 0.927 5.375 1.797 209 2HB CYS 31 1HB CYS 31 2.157 4.169 2.135 210 H SER 32 H SER 32 3.019 2.798 -0.110 211 HA SER 32 HA SER 32 0.496 2.294 -1.468 212 1HB SER 32 2HB SER 32 1.938 1.198 -3.374 213 2HB SER 32 1HB SER 32 1.590 2.928 -3.398 214 HG SER 32 HG SER 32 3.640 3.242 -2.366 215 H CYS 33 H CYS 33 -0.250 0.282 -1.201 216 HA CYS 33 HA CYS 33 1.048 -1.513 0.568 217 1HB CYS 33 2HB CYS 33 -1.173 -2.294 -1.321 218 2HB CYS 33 1HB CYS 33 -0.805 -2.958 0.259 219 H ARG 34 H ARG 34 2.491 -3.003 0.170 220 HA ARG 34 HA ARG 34 2.980 -3.821 -2.621 221 1HB ARG 34 2HB ARG 34 4.976 -3.626 -0.353 222 2HB ARG 34 1HB ARG 34 5.335 -4.103 -2.003 223 1HG ARG 34 2HG ARG 34 4.228 -1.407 -1.274 224 2HG ARG 34 1HG ARG 34 5.954 -1.754 -1.395 225 1HD ARG 34 2HD ARG 34 5.804 -2.217 -3.697 226 2HD ARG 34 1HD ARG 34 4.044 -2.324 -3.642 227 HE ARG 34 HE ARG 34 4.656 0.241 -2.851 228 1HH1 ARG 34 1HH1 ARG 34 5.275 -1.708 -5.691 229 2HH1 ARG 34 2HH1 ARG 34 5.196 -0.370 -6.786 230 1HH2 ARG 34 1HH2 ARG 34 4.527 2.006 -4.281 231 2HH2 ARG 34 2HH2 ARG 34 4.776 1.754 -5.982 232 HA PRO 35 HA PRO 35 2.313 -8.040 -1.534 233 1HB PRO 35 2HB PRO 35 4.604 -9.278 -2.470 234 2HB PRO 35 1HB PRO 35 3.202 -8.861 -3.461 235 1HG PRO 35 2HG PRO 35 5.790 -7.410 -3.127 236 2HG PRO 35 1HG PRO 35 4.813 -7.642 -4.588 237 1HD PRO 35 2HD PRO 35 4.816 -5.317 -3.239 238 2HD PRO 35 1HD PRO 35 3.352 -5.932 -4.028 239 H LYS 36 H LYS 36 2.944 -9.703 -0.058 240 HA LYS 36 HA LYS 36 4.491 -8.692 2.137 241 1HB LYS 36 2HB LYS 36 2.389 -10.119 2.300 242 2HB LYS 36 1HB LYS 36 3.389 -11.484 1.823 243 1HG LYS 36 2HG LYS 36 3.177 -11.510 4.195 244 2HG LYS 36 1HG LYS 36 4.832 -11.037 3.805 245 1HD LYS 36 2HD LYS 36 4.345 -8.733 4.249 246 2HD LYS 36 1HD LYS 36 2.623 -9.079 4.421 247 1HE LYS 36 2HE LYS 36 3.176 -10.521 6.374 248 2HE LYS 36 1HE LYS 36 4.851 -9.986 6.238 249 1HZ LYS 36 1HZ LYS 36 2.844 -8.753 7.645 250 2HZ LYS 36 2HZ LYS 36 3.052 -7.779 6.278 251 3HZ LYS 36 3HZ LYS 36 4.368 -8.108 7.290 252 H GLY 37 H GLY 37 6.617 -8.780 2.169 253 1HA GLY 37 2HA GLY 37 8.657 -9.994 2.319 254 2HA GLY 37 1HA GLY 37 7.972 -11.212 1.248 255 H TRP 38 H TRP 38 8.166 -7.689 0.965 256 HA TRP 38 HA TRP 38 9.030 -7.904 -1.764 257 1HB TRP 38 2HB TRP 38 8.875 -5.462 -1.795 258 2HB TRP 38 1HB TRP 38 7.425 -6.163 -1.092 259 HD1 TRP 38 HD TRP 38 10.748 -4.602 0.195 260 HE1 TRP 38 1HE TRP 38 10.222 -3.260 2.321 261 HE3 TRP 38 3HE TRP 38 5.756 -5.637 0.604 262 HZ2 TRP 38 2HZ TRP 38 7.991 -2.703 3.957 263 HZ3 TRP 38 3HZ TRP 38 4.500 -4.657 2.478 264 HH2 TRP 38 HH TRP 38 5.595 -3.221 4.119 Start of MODEL 10 1 1H LYS 1 1HT LYS 1 -12.980 -5.728 -0.787 2 2H LYS 1 2HT LYS 1 -14.346 -4.800 -0.426 3 H LYS 1 H LYS 1 -13.175 -4.975 0.650 4 3H LYS 1 3HT LYS 1 -13.056 -4.866 0.666 5 HA LYS 1 HA LYS 1 -12.499 -3.915 -2.034 6 1HB LYS 1 2HB LYS 1 -14.607 -2.793 -1.331 7 2HB LYS 1 1HB LYS 1 -13.806 -2.249 0.136 8 1HG LYS 1 2HG LYS 1 -12.212 -0.970 -1.248 9 2HG LYS 1 1HG LYS 1 -13.109 -1.461 -2.686 10 1HD LYS 1 2HD LYS 1 -13.800 0.758 -2.016 11 2HD LYS 1 1HD LYS 1 -15.125 -0.377 -1.758 12 1HE LYS 1 2HE LYS 1 -14.967 1.118 0.131 13 2HE LYS 1 1HE LYS 1 -14.507 -0.508 0.629 14 1HZ LYS 1 1HZ LYS 1 -12.773 0.590 1.528 15 2HZ LYS 1 2HZ LYS 1 -12.902 1.905 0.480 16 3HZ LYS 1 3HZ LYS 1 -12.126 0.491 -0.034 17 H CYS 2 H CYS 2 -10.358 -3.763 -1.975 18 HA CYS 2 HA CYS 2 -8.993 -2.287 0.072 19 1HB CYS 2 2HB CYS 2 -7.471 -4.204 0.672 20 2HB CYS 2 1HB CYS 2 -9.109 -4.341 1.302 21 H LEU 3 H LEU 3 -6.681 -2.167 -0.398 22 HA LEU 3 HA LEU 3 -6.258 -1.799 -3.209 23 1HB LEU 3 2HB LEU 3 -4.430 -1.423 -0.842 24 2HB LEU 3 1HB LEU 3 -4.108 -0.870 -2.467 25 HG LEU 3 HG LEU 3 -6.362 0.083 -0.715 26 1HD1 LEU 3 1HD1 LEU 3 -4.415 2.041 -1.562 27 2HD1 LEU 3 2HD1 LEU 3 -3.679 0.748 -0.615 28 3HD1 LEU 3 3HD1 LEU 3 -5.023 1.675 0.052 29 1HD2 LEU 3 1HD2 LEU 3 -7.060 1.465 -2.419 30 2HD2 LEU 3 2HD2 LEU 3 -6.586 0.025 -3.320 31 3HD2 LEU 3 3HD2 LEU 3 -5.502 1.414 -3.245 32 H ALA 4 H ALA 4 -5.246 -3.156 -4.563 33 HA ALA 4 HA ALA 4 -4.312 -5.699 -3.601 34 1HB ALA 4 1HB ALA 4 -5.608 -5.364 -5.719 35 2HB ALA 4 2HB ALA 4 -4.139 -6.325 -5.887 36 3HB ALA 4 3HB ALA 4 -4.157 -4.643 -6.415 37 H GLU 5 H GLU 5 -2.289 -6.247 -5.426 38 HA GLU 5 HA GLU 5 -0.027 -5.399 -4.007 39 1HB GLU 5 2HB GLU 5 1.250 -6.471 -5.908 40 2HB GLU 5 1HB GLU 5 0.108 -7.504 -5.066 41 1HG GLU 5 2HG GLU 5 -0.645 -6.102 -7.606 42 2HG GLU 5 1HG GLU 5 0.235 -7.627 -7.623 43 H ALA 6 H ALA 6 1.233 -3.751 -4.164 44 HA ALA 6 HA ALA 6 2.236 -1.833 -4.822 45 1HB ALA 6 1HB ALA 6 3.260 -1.983 -6.792 46 2HB ALA 6 2HB ALA 6 1.733 -1.977 -7.676 47 3HB ALA 6 3HB ALA 6 2.371 -3.488 -7.028 48 H ALA 7 H ALA 7 -0.288 -1.483 -3.915 49 HA ALA 7 HA ALA 7 -1.405 0.512 -5.782 50 1HB ALA 7 1HB ALA 7 -3.326 -0.118 -3.805 51 2HB ALA 7 2HB ALA 7 -2.673 -1.638 -4.417 52 3HB ALA 7 3HB ALA 7 -3.376 -0.468 -5.534 53 H ASP 8 H ASP 8 -1.329 2.568 -5.177 54 HA ASP 8 HA ASP 8 -0.011 3.491 -2.931 55 1HB ASP 8 2HB ASP 8 -2.108 4.938 -4.562 56 2HB ASP 8 1HB ASP 8 -0.961 5.704 -3.468 57 H CYS 9 H CYS 9 -0.490 3.798 -0.890 58 HA CYS 9 HA CYS 9 -3.305 3.742 -0.042 59 1HB CYS 9 2HB CYS 9 -2.229 2.815 2.165 60 2HB CYS 9 1HB CYS 9 -2.585 1.734 0.827 61 H SER 10 H SER 10 -3.793 4.874 1.886 62 HA SER 10 HA SER 10 -1.909 6.695 3.055 63 1HB SER 10 2HB SER 10 -2.432 7.903 0.969 64 2HB SER 10 1HB SER 10 -4.153 7.788 1.328 65 HG SER 10 HG SER 10 -3.459 9.793 1.980 66 HA PRO 11 HA PRO 11 -4.510 6.061 6.538 67 1HB PRO 11 2HB PRO 11 -4.333 8.640 7.605 68 2HB PRO 11 1HB PRO 11 -3.217 7.309 7.917 69 1HG PRO 11 2HG PRO 11 -2.973 9.577 5.994 70 2HG PRO 11 1HG PRO 11 -1.721 8.792 6.968 71 1HD PRO 11 2HD PRO 11 -1.935 8.298 4.363 72 2HD PRO 11 1HD PRO 11 -1.524 7.002 5.509 73 H TRP 12 H TRP 12 -5.073 8.929 4.550 74 HA TRP 12 HA TRP 12 -7.937 8.696 5.195 75 1HB TRP 12 2HB TRP 12 -6.412 11.240 4.588 76 2HB TRP 12 1HB TRP 12 -8.151 11.130 4.829 77 HD1 TRP 12 HD TRP 12 -8.964 10.444 7.368 78 HE1 TRP 12 1HE TRP 12 -7.871 10.973 9.636 79 HE3 TRP 12 3HE TRP 12 -4.253 11.600 5.750 80 HZ2 TRP 12 2HZ TRP 12 -5.349 11.781 10.612 81 HZ3 TRP 12 3HZ TRP 12 -2.561 12.246 7.416 82 HH2 TRP 12 HH TRP 12 -3.100 12.335 9.796 83 H SER 13 H SER 13 -5.616 9.826 2.752 84 HA SER 13 HA SER 13 -7.636 9.636 0.681 85 1HB SER 13 2HB SER 13 -5.535 10.345 -0.733 86 2HB SER 13 1HB SER 13 -6.330 11.514 0.321 87 HG SER 13 HG SER 13 -3.944 11.320 0.465 88 H GLY 14 H GLY 14 -7.267 7.145 1.733 89 1HA GLY 14 2HA GLY 14 -6.496 5.651 -0.569 90 2HA GLY 14 1HA GLY 14 -5.283 5.523 0.696 91 H ASP 15 H ASP 15 -7.064 3.494 -0.463 92 HA ASP 15 HA ASP 15 -8.964 2.826 1.612 93 1HB ASP 15 2HB ASP 15 -9.150 2.311 -0.934 94 2HB ASP 15 1HB ASP 15 -8.075 0.968 -0.585 95 H SER 16 H SER 16 -8.848 0.382 2.327 96 HA SER 16 HA SER 16 -6.343 0.097 3.733 97 1HB SER 16 2HB SER 16 -8.562 -1.926 3.700 98 2HB SER 16 1HB SER 16 -7.394 -1.609 4.979 99 HG SER 16 HG SER 16 -8.820 0.613 4.399 100 H CYS 17 H CYS 17 -4.791 -1.440 3.359 101 HA CYS 17 HA CYS 17 -4.590 -2.469 0.707 102 1HB CYS 17 2HB CYS 17 -2.912 -3.166 3.134 103 2HB CYS 17 1HB CYS 17 -2.488 -3.468 1.454 104 H CYS 18 H CYS 18 -4.775 -4.575 -0.025 105 HA CYS 18 HA CYS 18 -6.534 -6.324 1.378 106 1HB CYS 18 2HB CYS 18 -4.804 -6.790 -1.069 107 2HB CYS 18 1HB CYS 18 -5.974 -7.949 -0.454 108 H LYS 19 H LYS 19 -6.076 -8.229 2.422 109 HA LYS 19 HA LYS 19 -3.451 -8.364 3.575 110 1HB LYS 19 2HB LYS 19 -4.319 -10.077 4.997 111 2HB LYS 19 1HB LYS 19 -5.505 -8.801 4.906 112 1HG LYS 19 2HG LYS 19 -5.666 -11.289 3.229 113 2HG LYS 19 1HG LYS 19 -6.373 -11.174 4.839 114 1HD LYS 19 2HD LYS 19 -7.802 -9.357 4.120 115 2HD LYS 19 1HD LYS 19 -7.034 -9.346 2.531 116 1HE LYS 19 2HE LYS 19 -9.185 -10.501 2.466 117 2HE LYS 19 1HE LYS 19 -7.856 -11.602 2.106 118 1HZ LYS 19 1HZ LYS 19 -9.778 -12.153 3.850 119 2HZ LYS 19 2HZ LYS 19 -8.658 -11.439 4.895 120 3HZ LYS 19 3HZ LYS 19 -8.213 -12.785 3.972 121 HA PRO 20 HA PRO 20 -2.224 -9.485 4.427 122 1HB PRO 20 2HB PRO 20 0.002 -10.945 4.613 123 2HB PRO 20 1HB PRO 20 -1.587 -11.677 4.863 124 1HG PRO 20 2HG PRO 20 0.281 -11.983 2.597 125 2HG PRO 20 1HG PRO 20 -1.019 -13.058 3.133 126 1HD PRO 20 2HD PRO 20 -1.074 -11.041 1.039 127 2HD PRO 20 1HD PRO 20 -2.316 -12.240 1.459 128 H TYR 21 H TYR 21 -1.793 -8.091 1.844 129 HA TYR 21 HA TYR 21 0.993 -7.534 1.519 130 1HB TYR 21 2HB TYR 21 -1.344 -5.790 0.658 131 2HB TYR 21 1HB TYR 21 0.307 -5.714 0.065 132 HD1 TYR 21 1HD TYR 21 0.703 -6.617 -1.992 133 HD2 TYR 21 2HD TYR 21 -2.424 -8.279 0.358 134 HE1 TYR 21 1HE TYR 21 0.139 -8.143 -3.828 135 HE2 TYR 21 2HE TYR 21 -2.995 -9.814 -1.475 136 HH TYR 21 HH TYR 21 -2.003 -9.396 -4.586 137 H LEU 22 H LEU 22 1.973 -5.402 1.890 138 HA LEU 22 HA LEU 22 0.898 -4.139 4.326 139 1HB LEU 22 2HB LEU 22 2.776 -5.541 4.906 140 2HB LEU 22 1HB LEU 22 3.756 -4.813 3.649 141 HG LEU 22 HG LEU 22 3.641 -2.647 4.888 142 1HD1 LEU 22 1HD1 LEU 22 2.432 -4.313 7.090 143 2HD1 LEU 22 2HD1 LEU 22 1.551 -3.138 6.113 144 3HD1 LEU 22 3HD1 LEU 22 2.860 -2.603 7.166 145 1HD2 LEU 22 1HD2 LEU 22 5.379 -3.180 6.336 146 2HD2 LEU 22 2HD2 LEU 22 5.448 -4.465 5.131 147 3HD2 LEU 22 3HD2 LEU 22 4.715 -4.772 6.705 148 H CYS 23 H CYS 23 0.820 -1.975 4.366 149 HA CYS 23 HA CYS 23 1.312 -0.506 1.954 150 1HB CYS 23 2HB CYS 23 -0.596 0.010 3.425 151 2HB CYS 23 1HB CYS 23 0.511 0.442 4.721 152 H SER 24 H SER 24 3.270 0.208 1.390 153 HA SER 24 HA SER 24 5.281 0.554 3.477 154 1HB SER 24 2HB SER 24 6.913 0.613 1.603 155 2HB SER 24 1HB SER 24 5.953 -0.865 1.631 156 HG SER 24 HG SER 24 4.562 0.292 0.056 157 H CYS 25 H CYS 25 5.931 2.443 4.160 158 HA CYS 25 HA CYS 25 5.301 4.850 2.586 159 1HB CYS 25 2HB CYS 25 5.417 4.509 5.596 160 2HB CYS 25 1HB CYS 25 5.232 6.055 4.777 161 H ILE 26 H ILE 26 7.458 4.082 1.672 162 HA ILE 26 HA ILE 26 9.799 4.385 3.265 163 HB ILE 26 HB ILE 26 9.711 2.880 1.369 164 1HG1 ILE 26 2HG1 ILE 26 11.894 3.525 0.335 165 2HG1 ILE 26 1HG1 ILE 26 11.778 5.067 1.162 166 1HG2 ILE 26 1HG2 ILE 26 9.727 3.608 -0.912 167 2HG2 ILE 26 2HG2 ILE 26 9.742 5.301 -0.416 168 3HG2 ILE 26 3HG2 ILE 26 8.321 4.303 -0.105 169 1HD1 ILE 26 1HD1 ILE 26 11.700 3.824 3.315 170 2HD1 ILE 26 2HD1 ILE 26 13.211 3.650 2.423 171 3HD1 ILE 26 3HD1 ILE 26 12.025 2.346 2.410 172 H PHE 27 H PHE 27 8.630 6.559 3.818 173 HA PHE 27 HA PHE 27 8.760 8.813 4.019 174 1HB PHE 27 2HB PHE 27 11.482 8.211 2.881 175 2HB PHE 27 1HB PHE 27 11.010 9.829 3.383 176 HD1 PHE 27 1HD PHE 27 10.696 6.388 4.835 177 HD2 PHE 27 2HD PHE 27 11.881 10.438 5.397 178 HE1 PHE 27 1HE PHE 27 11.356 5.870 7.147 179 HE2 PHE 27 2HE PHE 27 12.543 9.925 7.710 180 HZ PHE 27 HZ PHE 27 12.282 7.640 8.588 181 H PHE 28 H PHE 28 7.728 7.704 1.415 182 HA PHE 28 HA PHE 28 7.940 10.222 -0.084 183 1HB PHE 28 2HB PHE 28 8.104 7.425 -1.139 184 2HB PHE 28 1HB PHE 28 7.459 8.701 -2.149 185 HD1 PHE 28 1HD PHE 28 10.413 8.355 0.132 186 HD2 PHE 28 2HD PHE 28 8.933 9.456 -3.701 187 HE1 PHE 28 1HE PHE 28 12.688 8.981 -0.561 188 HE2 PHE 28 2HE PHE 28 11.205 10.084 -4.402 189 HZ PHE 28 HZ PHE 28 13.087 9.846 -2.831 190 H TYR 29 H TYR 29 6.089 11.082 -0.691 191 HA TYR 29 HA TYR 29 3.622 9.760 0.118 192 1HB TYR 29 2HB TYR 29 4.066 12.125 0.809 193 2HB TYR 29 1HB TYR 29 4.016 12.591 -0.887 194 HD1 TYR 29 1HD TYR 29 2.046 13.568 -1.576 195 HD2 TYR 29 2HD TYR 29 1.888 10.610 1.479 196 HE1 TYR 29 1HE TYR 29 -0.392 13.862 -1.423 197 HE2 TYR 29 2HE TYR 29 -0.549 10.894 1.637 198 HH TYR 29 HH TYR 29 -2.195 13.496 0.219 199 HA PRO 30 HA PRO 30 1.972 9.166 -0.146 200 1HB PRO 30 2HB PRO 30 0.101 7.538 -1.181 201 2HB PRO 30 1HB PRO 30 -0.044 9.296 -1.262 202 1HG PRO 30 2HG PRO 30 0.526 7.369 -3.405 203 2HG PRO 30 1HG PRO 30 -0.083 9.026 -3.519 204 1HD PRO 30 2HD PRO 30 2.626 8.066 -3.870 205 2HD PRO 30 1HD PRO 30 1.991 9.704 -4.116 206 H CYS 31 H CYS 31 1.281 6.880 0.671 207 HA CYS 31 HA CYS 31 3.582 5.160 0.423 208 1HB CYS 31 2HB CYS 31 1.004 4.712 1.947 209 2HB CYS 31 1HB CYS 31 2.509 3.828 2.160 210 H SER 32 H SER 32 3.033 2.679 0.152 211 HA SER 32 HA SER 32 0.779 2.217 -1.602 212 1HB SER 32 2HB SER 32 2.396 1.198 -3.353 213 2HB SER 32 1HB SER 32 2.183 2.949 -3.318 214 HG SER 32 HG SER 32 4.109 3.111 -2.134 215 H CYS 33 H CYS 33 -0.014 0.241 -1.342 216 HA CYS 33 HA CYS 33 1.140 -1.574 0.505 217 1HB CYS 33 2HB CYS 33 -0.974 -2.384 -1.475 218 2HB CYS 33 1HB CYS 33 -0.762 -2.906 0.183 219 H ARG 34 H ARG 34 2.553 -3.127 0.167 220 HA ARG 34 HA ARG 34 3.107 -3.978 -2.602 221 1HB ARG 34 2HB ARG 34 5.058 -3.797 -0.290 222 2HB ARG 34 1HB ARG 34 5.439 -4.308 -1.928 223 1HG ARG 34 2HG ARG 34 4.443 -1.568 -1.182 224 2HG ARG 34 1HG ARG 34 6.138 -1.996 -1.422 225 1HD ARG 34 2HD ARG 34 5.805 -2.441 -3.714 226 2HD ARG 34 1HD ARG 34 4.050 -2.450 -3.534 227 HE ARG 34 HE ARG 34 4.872 0.073 -2.776 228 1HH1 ARG 34 1HH1 ARG 34 5.138 -1.880 -5.669 229 2HH1 ARG 34 2HH1 ARG 34 5.032 -0.530 -6.747 230 1HH2 ARG 34 1HH2 ARG 34 4.720 1.856 -4.183 231 2HH2 ARG 34 2HH2 ARG 34 4.795 1.606 -5.901 232 HA PRO 35 HA PRO 35 2.066 -8.080 -1.350 233 1HB PRO 35 2HB PRO 35 4.407 -9.017 -2.897 234 2HB PRO 35 1HB PRO 35 2.698 -9.419 -3.089 235 1HG PRO 35 2HG PRO 35 3.981 -7.821 -4.827 236 2HG PRO 35 1HG PRO 35 2.274 -7.582 -4.411 237 1HD PRO 35 2HD PRO 35 4.679 -6.062 -3.509 238 2HD PRO 35 1HD PRO 35 3.036 -5.483 -3.850 239 H LYS 36 H LYS 36 2.799 -9.713 0.095 240 HA LYS 36 HA LYS 36 4.928 -8.823 1.789 241 1HB LYS 36 2HB LYS 36 2.834 -9.927 2.637 242 2HB LYS 36 1HB LYS 36 3.427 -11.440 1.960 243 1HG LYS 36 2HG LYS 36 5.431 -11.260 3.391 244 2HG LYS 36 1HG LYS 36 4.753 -9.801 4.112 245 1HD LYS 36 2HD LYS 36 3.558 -12.571 4.211 246 2HD LYS 36 1HD LYS 36 4.355 -11.728 5.539 247 1HE LYS 36 2HE LYS 36 1.769 -10.981 4.185 248 2HE LYS 36 1HE LYS 36 1.981 -11.564 5.834 249 1HZ LYS 36 1HZ LYS 36 2.395 -9.514 6.542 250 2HZ LYS 36 2HZ LYS 36 1.898 -8.951 5.023 251 3HZ LYS 36 3HZ LYS 36 3.541 -9.230 5.328 252 H GLY 37 H GLY 37 6.982 -9.306 1.570 253 1HA GLY 37 2HA GLY 37 8.425 -11.464 1.356 254 2HA GLY 37 1HA GLY 37 7.763 -11.446 -0.277 255 H TRP 38 H TRP 38 7.703 -8.537 -0.366 256 HA TRP 38 HA TRP 38 10.462 -8.101 -1.145 257 1HB TRP 38 2HB TRP 38 7.919 -6.519 -1.547 258 2HB TRP 38 1HB TRP 38 9.499 -5.876 -1.973 259 HD1 TRP 38 HD TRP 38 10.270 -6.333 -4.358 260 HE1 TRP 38 1HE TRP 38 9.568 -7.922 -6.255 261 HE3 TRP 38 3HE TRP 38 6.796 -9.125 -1.847 262 HZ2 TRP 38 2HZ TRP 38 7.780 -10.068 -6.642 263 HZ3 TRP 38 3HZ TRP 38 5.635 -10.925 -3.056 264 HH2 TRP 38 HH TRP 38 6.116 -11.385 -5.405 Start of MODEL 11 1 1H LYS 1 1HT LYS 1 -13.748 -5.186 0.075 2 2H LYS 1 2HT LYS 1 -14.701 -3.849 0.482 3 H LYS 1 H LYS 1 -13.758 -4.064 1.459 4 3H LYS 1 3HT LYS 1 -13.362 -4.257 1.435 5 HA LYS 1 HA LYS 1 -12.822 -3.757 -1.369 6 1HB LYS 1 2HB LYS 1 -13.569 -1.582 0.610 7 2HB LYS 1 1HB LYS 1 -12.794 -1.291 -0.940 8 1HG LYS 1 2HG LYS 1 -14.715 -2.101 -2.121 9 2HG LYS 1 1HG LYS 1 -15.478 -2.611 -0.617 10 1HD LYS 1 2HD LYS 1 -16.482 -0.546 -1.339 11 2HD LYS 1 1HD LYS 1 -15.526 -0.236 0.109 12 1HE LYS 1 2HE LYS 1 -14.120 0.123 -2.458 13 2HE LYS 1 1HE LYS 1 -15.419 1.267 -2.134 14 1HZ LYS 1 1HZ LYS 1 -13.747 0.905 0.150 15 2HZ LYS 1 2HZ LYS 1 -14.152 2.328 -0.668 16 3HZ LYS 1 3HZ LYS 1 -12.837 1.394 -1.191 17 H CYS 2 H CYS 2 -10.643 -3.546 -1.589 18 HA CYS 2 HA CYS 2 -8.982 -2.623 0.540 19 1HB CYS 2 2HB CYS 2 -7.643 -4.674 0.791 20 2HB CYS 2 1HB CYS 2 -9.291 -4.887 1.354 21 H LEU 3 H LEU 3 -6.779 -2.444 -0.075 22 HA LEU 3 HA LEU 3 -6.521 -1.791 -2.872 23 1HB LEU 3 2HB LEU 3 -4.562 -1.568 -0.594 24 2HB LEU 3 1HB LEU 3 -4.358 -0.868 -2.184 25 HG LEU 3 HG LEU 3 -6.482 -0.131 -0.182 26 1HD1 LEU 3 1HD1 LEU 3 -3.875 0.610 -0.186 27 2HD1 LEU 3 2HD1 LEU 3 -5.198 1.577 0.468 28 3HD1 LEU 3 3HD1 LEU 3 -4.603 1.884 -1.164 29 1HD2 LEU 3 1HD2 LEU 3 -6.296 1.776 -2.242 30 2HD2 LEU 3 2HD2 LEU 3 -7.648 0.702 -1.878 31 3HD2 LEU 3 3HD2 LEU 3 -6.406 0.199 -3.025 32 H ALA 4 H ALA 4 -5.465 -2.923 -4.398 33 HA ALA 4 HA ALA 4 -4.507 -5.556 -3.759 34 1HB ALA 4 1HB ALA 4 -3.938 -4.693 -6.457 35 2HB ALA 4 2HB ALA 4 -5.607 -4.352 -5.999 36 3HB ALA 4 3HB ALA 4 -4.978 -5.997 -5.884 37 H GLU 5 H GLU 5 -2.491 -5.846 -5.653 38 HA GLU 5 HA GLU 5 -0.217 -5.110 -4.160 39 1HB GLU 5 2HB GLU 5 -0.055 -7.137 -5.324 40 2HB GLU 5 1HB GLU 5 -0.642 -6.435 -6.821 41 1HG GLU 5 2HG GLU 5 1.740 -6.989 -6.912 42 2HG GLU 5 1HG GLU 5 1.442 -5.270 -7.147 43 H ALA 6 H ALA 6 1.174 -3.540 -4.356 44 HA ALA 6 HA ALA 6 2.074 -1.526 -4.883 45 1HB ALA 6 1HB ALA 6 1.503 -2.685 -7.577 46 2HB ALA 6 2HB ALA 6 3.052 -2.369 -6.796 47 3HB ALA 6 3HB ALA 6 2.101 -1.032 -7.444 48 H ALA 7 H ALA 7 -0.377 -1.287 -3.847 49 HA ALA 7 HA ALA 7 -1.665 0.742 -5.573 50 1HB ALA 7 1HB ALA 7 -2.855 -1.507 -4.752 51 2HB ALA 7 2HB ALA 7 -3.727 0.000 -5.031 52 3HB ALA 7 3HB ALA 7 -3.255 -0.456 -3.394 53 H ASP 8 H ASP 8 -1.618 2.764 -4.890 54 HA ASP 8 HA ASP 8 -0.360 3.626 -2.578 55 1HB ASP 8 2HB ASP 8 -2.362 5.007 -4.361 56 2HB ASP 8 1HB ASP 8 -1.574 5.822 -3.014 57 H CYS 9 H CYS 9 -0.891 3.739 -0.548 58 HA CYS 9 HA CYS 9 -3.697 3.334 0.220 59 1HB CYS 9 2HB CYS 9 -2.390 2.690 2.464 60 2HB CYS 9 1HB CYS 9 -2.708 1.528 1.181 61 H SER 10 H SER 10 -4.486 4.369 2.074 62 HA SER 10 HA SER 10 -3.005 6.707 3.023 63 1HB SER 10 2HB SER 10 -4.546 7.449 1.200 64 2HB SER 10 1HB SER 10 -5.901 6.793 2.117 65 HG SER 10 HG SER 10 -4.679 9.171 2.370 66 HA PRO 11 HA PRO 11 -4.105 5.064 6.954 67 1HB PRO 11 2HB PRO 11 -4.262 7.502 8.297 68 2HB PRO 11 1HB PRO 11 -2.799 6.544 8.056 69 1HG PRO 11 2HG PRO 11 -3.797 8.901 6.523 70 2HG PRO 11 1HG PRO 11 -2.136 8.466 6.961 71 1HD PRO 11 2HD PRO 11 -3.055 8.095 4.482 72 2HD PRO 11 1HD PRO 11 -1.949 6.927 5.239 73 H TRP 12 H TRP 12 -6.035 7.688 5.586 74 HA TRP 12 HA TRP 12 -8.367 6.541 6.959 75 1HB TRP 12 2HB TRP 12 -7.823 9.501 6.639 76 2HB TRP 12 1HB TRP 12 -9.299 8.802 7.291 77 HD1 TRP 12 HD TRP 12 -9.009 7.453 9.691 78 HE1 TRP 12 1HE TRP 12 -7.424 7.955 11.654 79 HE3 TRP 12 3HE TRP 12 -5.611 10.401 7.260 80 HZ2 TRP 12 2HZ TRP 12 -5.052 9.413 12.114 81 HZ3 TRP 12 3HZ TRP 12 -3.717 11.315 8.537 82 HH2 TRP 12 HH TRP 12 -3.445 10.830 10.915 83 H SER 13 H SER 13 -7.323 8.729 4.361 84 HA SER 13 HA SER 13 -9.810 8.389 2.946 85 1HB SER 13 2HB SER 13 -8.602 10.550 2.954 86 2HB SER 13 1HB SER 13 -7.266 9.792 2.089 87 HG SER 13 HG SER 13 -8.745 9.353 0.384 88 H GLY 14 H GLY 14 -8.901 5.885 3.190 89 1HA GLY 14 2HA GLY 14 -8.703 4.988 0.531 90 2HA GLY 14 1HA GLY 14 -7.098 4.974 1.242 91 H ASP 15 H ASP 15 -8.846 2.789 0.319 92 HA ASP 15 HA ASP 15 -9.853 1.333 2.528 93 1HB ASP 15 2HB ASP 15 -8.998 0.494 -0.246 94 2HB ASP 15 1HB ASP 15 -9.623 -0.651 0.932 95 H SER 16 H SER 16 -8.963 -0.718 3.326 96 HA SER 16 HA SER 16 -6.172 -0.430 3.983 97 1HB SER 16 2HB SER 16 -7.994 -2.751 4.635 98 2HB SER 16 1HB SER 16 -6.514 -2.284 5.467 99 HG SER 16 HG SER 16 -8.063 -0.171 5.515 100 H CYS 17 H CYS 17 -4.538 -1.927 3.412 101 HA CYS 17 HA CYS 17 -4.647 -2.858 0.754 102 1HB CYS 17 2HB CYS 17 -2.695 -3.784 2.867 103 2HB CYS 17 1HB CYS 17 -2.448 -3.738 1.127 104 H CYS 18 H CYS 18 -5.067 -4.831 -0.108 105 HA CYS 18 HA CYS 18 -6.548 -6.774 1.310 106 1HB CYS 18 2HB CYS 18 -4.989 -7.141 -1.266 107 2HB CYS 18 1HB CYS 18 -6.270 -8.184 -0.678 108 H LYS 19 H LYS 19 -5.903 -8.700 2.221 109 HA LYS 19 HA LYS 19 -3.142 -8.754 2.993 110 1HB LYS 19 2HB LYS 19 -5.293 -10.764 3.636 111 2HB LYS 19 1HB LYS 19 -3.741 -10.599 4.420 112 1HG LYS 19 2HG LYS 19 -6.089 -8.747 4.572 113 2HG LYS 19 1HG LYS 19 -5.287 -9.614 5.882 114 1HD LYS 19 2HD LYS 19 -4.109 -7.354 4.260 115 2HD LYS 19 1HD LYS 19 -4.712 -7.237 5.913 116 1HE LYS 19 2HE LYS 19 -2.977 -8.694 6.710 117 2HE LYS 19 1HE LYS 19 -2.449 -9.038 5.062 118 1HZ LYS 19 1HZ LYS 19 -1.118 -7.346 6.376 119 2HZ LYS 19 2HZ LYS 19 -2.423 -6.294 6.164 120 3HZ LYS 19 3HZ LYS 19 -1.591 -6.889 4.814 121 HA PRO 20 HA PRO 20 -1.960 -10.181 3.844 122 1HB PRO 20 2HB PRO 20 0.407 -11.402 3.677 123 2HB PRO 20 1HB PRO 20 -1.083 -12.322 3.918 124 1HG PRO 20 2HG PRO 20 0.580 -12.023 1.477 125 2HG PRO 20 1HG PRO 20 -0.419 -13.389 1.998 126 1HD PRO 20 2HD PRO 20 -1.109 -11.352 0.129 127 2HD PRO 20 1HD PRO 20 -2.158 -12.638 0.756 128 H TYR 21 H TYR 21 -1.733 -8.475 1.298 129 HA TYR 21 HA TYR 21 0.979 -7.564 1.226 130 1HB TYR 21 2HB TYR 21 -1.460 -6.051 0.242 131 2HB TYR 21 1HB TYR 21 0.219 -5.752 -0.177 132 HD1 TYR 21 1HD TYR 21 -2.445 -8.346 -0.463 133 HD2 TYR 21 2HD TYR 21 1.190 -6.777 -2.014 134 HE1 TYR 21 1HE TYR 21 -2.616 -9.866 -2.387 135 HE2 TYR 21 2HE TYR 21 1.028 -8.289 -3.942 136 HH TYR 21 HH TYR 21 -0.393 -9.648 -5.096 137 H LEU 22 H LEU 22 1.600 -5.296 1.704 138 HA LEU 22 HA LEU 22 0.186 -4.187 4.022 139 1HB LEU 22 2HB LEU 22 1.916 -5.665 4.901 140 2HB LEU 22 1HB LEU 22 3.128 -4.855 3.928 141 HG LEU 22 HG LEU 22 2.687 -2.765 5.228 142 1HD1 LEU 22 1HD1 LEU 22 0.374 -3.792 5.968 143 2HD1 LEU 22 2HD1 LEU 22 1.248 -2.656 6.995 144 3HD1 LEU 22 3HD1 LEU 22 1.337 -4.388 7.320 145 1HD2 LEU 22 1HD2 LEU 22 3.448 -5.028 7.049 146 2HD2 LEU 22 2HD2 LEU 22 4.060 -3.375 7.033 147 3HD2 LEU 22 3HD2 LEU 22 4.490 -4.488 5.733 148 H CYS 23 H CYS 23 0.344 -2.006 4.251 149 HA CYS 23 HA CYS 23 1.021 -0.455 1.971 150 1HB CYS 23 2HB CYS 23 -0.807 0.113 3.566 151 2HB CYS 23 1HB CYS 23 0.402 0.437 4.801 152 H SER 24 H SER 24 2.940 0.513 1.478 153 HA SER 24 HA SER 24 4.973 0.514 3.600 154 1HB SER 24 2HB SER 24 6.678 0.310 1.848 155 2HB SER 24 1HB SER 24 5.530 -1.025 1.773 156 HG SER 24 HG SER 24 4.440 0.236 0.098 157 H CYS 25 H CYS 25 5.801 2.352 4.214 158 HA CYS 25 HA CYS 25 5.345 4.761 2.588 159 1HB CYS 25 2HB CYS 25 5.564 4.462 5.596 160 2HB CYS 25 1HB CYS 25 5.520 6.010 4.761 161 H ILE 26 H ILE 26 7.345 3.766 1.591 162 HA ILE 26 HA ILE 26 9.816 3.787 2.968 163 HB ILE 26 HB ILE 26 10.805 3.703 0.636 164 1HG1 ILE 26 2HG1 ILE 26 7.882 3.487 -0.131 165 2HG1 ILE 26 1HG1 ILE 26 8.924 4.858 -0.500 166 1HG2 ILE 26 1HG2 ILE 26 10.325 1.739 2.038 167 2HG2 ILE 26 2HG2 ILE 26 10.136 1.403 0.317 168 3HG2 ILE 26 3HG2 ILE 26 8.714 1.648 1.330 169 1HD1 ILE 26 1HD1 ILE 26 8.447 2.867 -2.211 170 2HD1 ILE 26 2HD1 ILE 26 9.871 2.215 -1.400 171 3HD1 ILE 26 3HD1 ILE 26 9.951 3.787 -2.195 172 H PHE 27 H PHE 27 8.803 6.213 3.590 173 HA PHE 27 HA PHE 27 9.302 8.409 3.755 174 1HB PHE 27 2HB PHE 27 11.857 7.360 2.568 175 2HB PHE 27 1HB PHE 27 11.660 9.061 2.964 176 HD1 PHE 27 1HD PHE 27 10.819 5.840 4.679 177 HD2 PHE 27 2HD PHE 27 12.732 9.636 4.893 178 HE1 PHE 27 1HE PHE 27 11.466 5.378 7.005 179 HE2 PHE 27 2HE PHE 27 13.383 9.179 7.221 180 HZ PHE 27 HZ PHE 27 12.751 7.047 8.280 181 H PHE 28 H PHE 28 8.029 7.380 1.234 182 HA PHE 28 HA PHE 28 8.417 9.841 -0.306 183 1HB PHE 28 2HB PHE 28 8.403 7.040 -1.380 184 2HB PHE 28 1HB PHE 28 7.865 8.376 -2.378 185 HD1 PHE 28 1HD PHE 28 9.387 9.402 -3.736 186 HD2 PHE 28 2HD PHE 28 10.780 7.416 -0.242 187 HE1 PHE 28 1HE PHE 28 11.709 9.857 -4.408 188 HE2 PHE 28 2HE PHE 28 13.103 7.872 -0.903 189 HZ PHE 28 HZ PHE 28 13.571 9.093 -2.989 190 H TYR 29 H TYR 29 6.608 10.779 -0.949 191 HA TYR 29 HA TYR 29 4.088 9.630 -0.053 192 1HB TYR 29 2HB TYR 29 4.729 12.007 0.494 193 2HB TYR 29 1HB TYR 29 4.594 12.378 -1.220 194 HD1 TYR 29 1HD TYR 29 2.637 13.422 -1.843 195 HD2 TYR 29 2HD TYR 29 2.530 10.652 1.386 196 HE1 TYR 29 1HE TYR 29 0.233 13.858 -1.555 197 HE2 TYR 29 2HE TYR 29 0.126 11.079 1.680 198 HH TYR 29 HH TYR 29 -1.482 13.675 0.151 199 HA PRO 30 HA PRO 30 2.380 9.165 -0.263 200 1HB PRO 30 2HB PRO 30 0.332 7.695 -1.244 201 2HB PRO 30 1HB PRO 30 0.356 9.460 -1.308 202 1HG PRO 30 2HG PRO 30 0.586 7.538 -3.488 203 2HG PRO 30 1HG PRO 30 0.315 9.284 -3.566 204 1HD PRO 30 2HD PRO 30 2.807 7.781 -3.883 205 2HD PRO 30 1HD PRO 30 2.459 9.474 -4.288 206 H CYS 31 H CYS 31 1.510 7.046 0.715 207 HA CYS 31 HA CYS 31 3.556 5.030 0.458 208 1HB CYS 31 2HB CYS 31 1.036 4.991 2.138 209 2HB CYS 31 1HB CYS 31 2.441 3.952 2.333 210 H SER 32 H SER 32 3.114 2.807 -0.142 211 HA SER 32 HA SER 32 0.517 2.320 -1.373 212 1HB SER 32 2HB SER 32 1.992 1.280 -3.350 213 2HB SER 32 1HB SER 32 1.427 2.950 -3.367 214 HG SER 32 HG SER 32 3.393 3.655 -2.965 215 H CYS 33 H CYS 33 -0.159 0.253 -1.304 216 HA CYS 33 HA CYS 33 1.124 -1.548 0.456 217 1HB CYS 33 2HB CYS 33 -1.013 -2.370 -1.504 218 2HB CYS 33 1HB CYS 33 -0.695 -2.999 0.098 219 H ARG 34 H ARG 34 2.425 -3.164 0.112 220 HA ARG 34 HA ARG 34 3.066 -4.050 -2.625 221 1HB ARG 34 2HB ARG 34 5.092 -3.720 -0.395 222 2HB ARG 34 1HB ARG 34 5.417 -4.062 -2.083 223 1HG ARG 34 2HG ARG 34 4.279 -1.488 -1.041 224 2HG ARG 34 1HG ARG 34 5.974 -1.768 -1.436 225 1HD ARG 34 2HD ARG 34 5.386 -2.190 -3.754 226 2HD ARG 34 1HD ARG 34 3.673 -1.996 -3.374 227 HE ARG 34 HE ARG 34 3.951 0.263 -3.491 228 1HH1 ARG 34 1HH1 ARG 34 7.112 -1.197 -3.097 229 2HH1 ARG 34 2HH1 ARG 34 7.957 0.314 -3.149 230 1HH2 ARG 34 1HH2 ARG 34 5.045 2.255 -3.533 231 2HH2 ARG 34 2HH2 ARG 34 6.777 2.288 -3.405 232 HA PRO 35 HA PRO 35 2.655 -8.162 -0.982 233 1HB PRO 35 2HB PRO 35 4.992 -9.461 -1.594 234 2HB PRO 35 1HB PRO 35 3.696 -9.161 -2.756 235 1HG PRO 35 2HG PRO 35 6.238 -7.650 -2.318 236 2HG PRO 35 1HG PRO 35 5.448 -8.100 -3.842 237 1HD PRO 35 2HD PRO 35 5.263 -5.624 -2.835 238 2HD PRO 35 1HD PRO 35 3.913 -6.375 -3.703 239 H LYS 36 H LYS 36 3.271 -9.580 0.731 240 HA LYS 36 HA LYS 36 4.650 -8.219 2.852 241 1HB LYS 36 2HB LYS 36 2.619 -9.541 3.284 242 2HB LYS 36 1HB LYS 36 3.451 -10.997 2.756 243 1HG LYS 36 2HG LYS 36 5.071 -10.679 4.614 244 2HG LYS 36 1HG LYS 36 4.086 -9.327 5.178 245 1HD LYS 36 2HD LYS 36 2.238 -10.752 5.624 246 2HD LYS 36 1HD LYS 36 2.997 -12.107 4.784 247 1HE LYS 36 2HE LYS 36 3.992 -10.817 7.323 248 2HE LYS 36 1HE LYS 36 3.141 -12.358 7.215 249 1HZ LYS 36 1HZ LYS 36 4.978 -13.414 6.532 250 2HZ LYS 36 2HZ LYS 36 5.809 -12.094 7.186 251 3HZ LYS 36 3HZ LYS 36 5.480 -12.148 5.528 252 H GLY 37 H GLY 37 6.604 -8.117 1.584 253 1HA GLY 37 2HA GLY 37 8.804 -9.221 2.436 254 2HA GLY 37 1HA GLY 37 8.200 -10.570 1.474 255 H TRP 38 H TRP 38 8.066 -7.093 0.952 256 HA TRP 38 HA TRP 38 8.741 -7.329 -1.802 257 1HB TRP 38 2HB TRP 38 8.613 -4.871 -1.816 258 2HB TRP 38 1HB TRP 38 7.223 -5.578 -1.004 259 HD1 TRP 38 HD TRP 38 10.645 -4.039 0.025 260 HE1 TRP 38 1HE TRP 38 10.305 -2.732 2.209 261 HE3 TRP 38 3HE TRP 38 5.702 -5.074 0.832 262 HZ2 TRP 38 2HZ TRP 38 8.219 -2.199 4.034 263 HZ3 TRP 38 3HZ TRP 38 4.610 -4.123 2.821 264 HH2 TRP 38 HH TRP 38 5.844 -2.716 4.388 Start of MODEL 12 1 1H LYS 1 1HT LYS 1 -14.528 -5.466 0.581 2 2H LYS 1 2HT LYS 1 -13.139 -5.645 1.528 3 H LYS 1 H LYS 1 -13.547 -5.587 1.562 4 3H LYS 1 3HT LYS 1 -13.236 -6.403 0.019 5 HA LYS 1 HA LYS 1 -12.820 -4.520 -1.141 6 1HB LYS 1 2HB LYS 1 -14.740 -3.300 -0.368 7 2HB LYS 1 1HB LYS 1 -14.055 -3.125 1.241 8 1HG LYS 1 2HG LYS 1 -13.866 -1.028 0.166 9 2HG LYS 1 1HG LYS 1 -12.248 -1.725 0.227 10 1HD LYS 1 2HD LYS 1 -12.693 -2.564 -2.135 11 2HD LYS 1 1HD LYS 1 -14.096 -1.493 -2.134 12 1HE LYS 1 2HE LYS 1 -11.198 -0.724 -1.816 13 2HE LYS 1 1HE LYS 1 -12.269 -0.331 -3.159 14 1HZ LYS 1 1HZ LYS 1 -13.640 0.918 -1.477 15 2HZ LYS 1 2HZ LYS 1 -12.129 1.588 -1.825 16 3HZ LYS 1 3HZ LYS 1 -12.356 0.723 -0.383 17 H CYS 2 H CYS 2 -10.696 -4.182 -1.325 18 HA CYS 2 HA CYS 2 -9.142 -2.996 0.758 19 1HB CYS 2 2HB CYS 2 -7.520 -4.899 0.937 20 2HB CYS 2 1HB CYS 2 -9.086 -5.212 1.672 21 H LEU 3 H LEU 3 -6.915 -2.661 0.090 22 HA LEU 3 HA LEU 3 -6.792 -1.915 -2.680 23 1HB LEU 3 2HB LEU 3 -4.753 -1.701 -0.468 24 2HB LEU 3 1HB LEU 3 -4.626 -0.946 -2.039 25 HG LEU 3 HG LEU 3 -6.751 -0.338 0.009 26 1HD1 LEU 3 1HD1 LEU 3 -4.777 1.689 -0.819 27 2HD1 LEU 3 2HD1 LEU 3 -4.182 0.391 0.215 28 3HD1 LEU 3 3HD1 LEU 3 -5.524 1.402 0.753 29 1HD2 LEU 3 1HD2 LEU 3 -6.185 1.416 -2.319 30 2HD2 LEU 3 2HD2 LEU 3 -7.695 1.133 -1.454 31 3HD2 LEU 3 3HD2 LEU 3 -7.102 -0.062 -2.607 32 H ALA 4 H ALA 4 -5.601 -2.856 -4.276 33 HA ALA 4 HA ALA 4 -4.683 -5.542 -3.842 34 1HB ALA 4 1HB ALA 4 -5.621 -4.052 -6.025 35 2HB ALA 4 2HB ALA 4 -5.172 -5.757 -5.990 36 3HB ALA 4 3HB ALA 4 -3.974 -4.538 -6.427 37 H GLU 5 H GLU 5 -2.602 -5.725 -5.662 38 HA GLU 5 HA GLU 5 -0.385 -5.013 -4.024 39 1HB GLU 5 2HB GLU 5 -0.527 -7.123 -5.323 40 2HB GLU 5 1HB GLU 5 -0.406 -6.188 -6.807 41 1HG GLU 5 2HG GLU 5 1.811 -5.488 -6.261 42 2HG GLU 5 1HG GLU 5 1.690 -6.195 -4.651 43 H ALA 6 H ALA 6 0.974 -3.401 -4.208 44 HA ALA 6 HA ALA 6 1.926 -1.438 -4.819 45 1HB ALA 6 1HB ALA 6 1.361 -2.692 -7.460 46 2HB ALA 6 2HB ALA 6 2.901 -2.235 -6.733 47 3HB ALA 6 3HB ALA 6 1.847 -0.998 -7.420 48 H ALA 7 H ALA 7 -0.626 -1.325 -3.829 49 HA ALA 7 HA ALA 7 -1.972 0.666 -5.541 50 1HB ALA 7 1HB ALA 7 -3.995 -0.005 -4.739 51 2HB ALA 7 2HB ALA 7 -3.342 -0.482 -3.171 52 3HB ALA 7 3HB ALA 7 -3.097 -1.515 -4.580 53 H ASP 8 H ASP 8 -2.375 2.706 -4.861 54 HA ASP 8 HA ASP 8 -0.832 3.869 -2.827 55 1HB ASP 8 2HB ASP 8 -1.813 5.062 -4.811 56 2HB ASP 8 1HB ASP 8 -3.385 4.974 -4.028 57 H CYS 9 H CYS 9 -1.213 4.277 -0.688 58 HA CYS 9 HA CYS 9 -3.862 3.538 0.342 59 1HB CYS 9 2HB CYS 9 -2.362 2.924 2.469 60 2HB CYS 9 1HB CYS 9 -2.797 1.763 1.225 61 H SER 10 H SER 10 -4.717 4.676 1.921 62 HA SER 10 HA SER 10 -3.309 6.670 3.417 63 1HB SER 10 2HB SER 10 -3.625 7.891 1.299 64 2HB SER 10 1HB SER 10 -5.354 7.550 1.352 65 HG SER 10 HG SER 10 -4.435 9.670 2.207 66 HA PRO 11 HA PRO 11 -6.479 5.369 6.209 67 1HB PRO 11 2HB PRO 11 -6.075 7.997 7.518 68 2HB PRO 11 1HB PRO 11 -5.916 6.369 8.184 69 1HG PRO 11 2HG PRO 11 -3.754 7.827 7.663 70 2HG PRO 11 1HG PRO 11 -3.780 6.085 7.327 71 1HD PRO 11 2HD PRO 11 -4.097 8.377 5.424 72 2HD PRO 11 1HD PRO 11 -3.161 6.879 5.236 73 H TRP 12 H TRP 12 -6.690 8.857 5.384 74 HA TRP 12 HA TRP 12 -9.609 8.594 5.497 75 1HB TRP 12 2HB TRP 12 -7.910 11.095 5.412 76 2HB TRP 12 1HB TRP 12 -9.664 11.052 5.543 77 HD1 TRP 12 HD TRP 12 -10.707 10.398 7.913 78 HE1 TRP 12 1HE TRP 12 -9.702 10.354 10.282 79 HE3 TRP 12 3HE TRP 12 -5.745 10.608 6.696 80 HZ2 TRP 12 2HZ TRP 12 -7.145 10.410 11.477 81 HZ3 TRP 12 3HZ TRP 12 -4.085 10.615 8.512 82 HH2 TRP 12 HH TRP 12 -4.772 10.519 10.853 83 H SER 13 H SER 13 -7.499 8.034 3.216 84 HA SER 13 HA SER 13 -9.309 8.855 1.115 85 1HB SER 13 2HB SER 13 -6.451 9.866 1.085 86 2HB SER 13 1HB SER 13 -7.646 10.091 -0.191 87 HG SER 13 HG SER 13 -8.782 10.962 1.999 88 H GLY 14 H GLY 14 -8.896 6.349 1.827 89 1HA GLY 14 2HA GLY 14 -7.879 5.122 -0.521 90 2HA GLY 14 1HA GLY 14 -6.757 4.919 0.813 91 H ASP 15 H ASP 15 -6.967 2.890 1.428 92 HA ASP 15 HA ASP 15 -9.338 2.019 2.751 93 1HB ASP 15 2HB ASP 15 -9.628 1.603 0.137 94 2HB ASP 15 1HB ASP 15 -8.604 0.215 0.474 95 H SER 16 H SER 16 -8.929 -0.610 3.014 96 HA SER 16 HA SER 16 -6.292 -0.716 4.262 97 1HB SER 16 2HB SER 16 -8.349 -2.901 4.336 98 2HB SER 16 1HB SER 16 -7.079 -2.559 5.503 99 HG SER 16 HG SER 16 -9.394 -0.986 5.012 100 H CYS 17 H CYS 17 -4.678 -2.042 3.571 101 HA CYS 17 HA CYS 17 -4.732 -2.945 0.879 102 1HB CYS 17 2HB CYS 17 -2.725 -3.752 2.989 103 2HB CYS 17 1HB CYS 17 -2.485 -3.695 1.248 104 H CYS 18 H CYS 18 -5.009 -4.980 0.027 105 HA CYS 18 HA CYS 18 -6.396 -6.962 1.514 106 1HB CYS 18 2HB CYS 18 -4.866 -7.297 -1.086 107 2HB CYS 18 1HB CYS 18 -6.050 -8.421 -0.439 108 H LYS 19 H LYS 19 -5.645 -8.860 2.430 109 HA LYS 19 HA LYS 19 -2.888 -8.744 3.223 110 1HB LYS 19 2HB LYS 19 -4.898 -10.889 3.872 111 2HB LYS 19 1HB LYS 19 -3.395 -10.559 4.697 112 1HG LYS 19 2HG LYS 19 -5.817 -8.783 4.637 113 2HG LYS 19 1HG LYS 19 -5.212 -9.709 6.013 114 1HD LYS 19 2HD LYS 19 -3.207 -8.379 6.093 115 2HD LYS 19 1HD LYS 19 -3.657 -7.538 4.610 116 1HE LYS 19 2HE LYS 19 -5.677 -6.682 5.798 117 2HE LYS 19 1HE LYS 19 -5.042 -7.395 7.282 118 1HZ LYS 19 1HZ LYS 19 -4.433 -5.104 7.213 119 2HZ LYS 19 2HZ LYS 19 -3.790 -5.254 5.654 120 3HZ LYS 19 3HZ LYS 19 -3.029 -6.016 6.960 121 HA PRO 20 HA PRO 20 -1.584 -9.981 4.048 122 1HB PRO 20 2HB PRO 20 0.858 -11.080 3.877 123 2HB PRO 20 1HB PRO 20 -0.573 -12.048 4.246 124 1HG PRO 20 2HG PRO 20 1.022 -11.920 1.764 125 2HG PRO 20 1HG PRO 20 -0.004 -13.227 2.374 126 1HD PRO 20 2HD PRO 20 -0.650 -11.221 0.411 127 2HD PRO 20 1HD PRO 20 -1.669 -12.549 0.999 128 H TYR 21 H TYR 21 -1.598 -8.300 1.603 129 HA TYR 21 HA TYR 21 1.068 -7.275 1.273 130 1HB TYR 21 2HB TYR 21 -1.541 -6.024 0.359 131 2HB TYR 21 1HB TYR 21 0.079 -5.576 -0.155 132 HD1 TYR 21 1HD TYR 21 -2.120 -8.619 -0.070 133 HD2 TYR 21 2HD TYR 21 0.875 -6.405 -2.114 134 HE1 TYR 21 1HE TYR 21 -2.182 -10.246 -1.917 135 HE2 TYR 21 2HE TYR 21 0.819 -8.016 -3.956 136 HH TYR 21 HH TYR 21 -0.011 -9.891 -4.728 137 H LEU 22 H LEU 22 1.854 -5.270 1.882 138 HA LEU 22 HA LEU 22 0.397 -3.979 4.091 139 1HB LEU 22 2HB LEU 22 2.193 -5.355 4.982 140 2HB LEU 22 1HB LEU 22 3.347 -4.584 3.910 141 HG LEU 22 HG LEU 22 2.917 -2.426 5.099 142 1HD1 LEU 22 1HD1 LEU 22 1.577 -4.075 7.218 143 2HD1 LEU 22 2HD1 LEU 22 0.659 -3.231 5.970 144 3HD1 LEU 22 3HD1 LEU 22 1.679 -2.319 7.085 145 1HD2 LEU 22 1HD2 LEU 22 4.796 -3.031 6.111 146 2HD2 LEU 22 2HD2 LEU 22 4.353 -4.736 6.017 147 3HD2 LEU 22 3HD2 LEU 22 3.821 -3.761 7.388 148 H CYS 23 H CYS 23 0.449 -1.792 4.187 149 HA CYS 23 HA CYS 23 1.047 -0.337 1.820 150 1HB CYS 23 2HB CYS 23 -0.789 0.305 3.321 151 2HB CYS 23 1HB CYS 23 0.365 0.628 4.609 152 H SER 24 H SER 24 2.987 0.441 1.217 153 HA SER 24 HA SER 24 5.080 0.562 3.245 154 1HB SER 24 2HB SER 24 6.653 0.716 1.337 155 2HB SER 24 1HB SER 24 5.638 -0.722 1.257 156 HG SER 24 HG SER 24 4.290 0.472 -0.222 157 H CYS 25 H CYS 25 5.677 2.366 4.108 158 HA CYS 25 HA CYS 25 5.201 4.914 2.705 159 1HB CYS 25 2HB CYS 25 4.895 4.210 5.626 160 2HB CYS 25 1HB CYS 25 5.148 5.870 5.105 161 H ILE 26 H ILE 26 7.452 3.895 2.018 162 HA ILE 26 HA ILE 26 9.620 4.090 3.836 163 HB ILE 26 HB ILE 26 11.034 3.970 1.740 164 1HG1 ILE 26 2HG1 ILE 26 8.337 3.522 0.437 165 2HG1 ILE 26 1HG1 ILE 26 9.316 4.969 0.228 166 1HG2 ILE 26 1HG2 ILE 26 10.713 1.656 1.555 167 2HG2 ILE 26 2HG2 ILE 26 8.993 1.779 1.921 168 3HG2 ILE 26 3HG2 ILE 26 10.187 2.060 3.189 169 1HD1 ILE 26 1HD1 ILE 26 10.880 3.881 -1.064 170 2HD1 ILE 26 2HD1 ILE 26 9.379 3.095 -1.555 171 3HD1 ILE 26 3HD1 ILE 26 10.464 2.293 -0.417 172 H PHE 27 H PHE 27 8.367 6.483 4.111 173 HA PHE 27 HA PHE 27 8.710 8.716 4.231 174 1HB PHE 27 2HB PHE 27 11.505 7.764 3.654 175 2HB PHE 27 1HB PHE 27 11.146 9.468 3.879 176 HD1 PHE 27 1HD PHE 27 10.131 6.315 5.625 177 HD2 PHE 27 2HD PHE 27 11.788 10.223 5.933 178 HE1 PHE 27 1HE PHE 27 10.324 6.037 8.061 179 HE2 PHE 27 2HE PHE 27 11.984 9.951 8.369 180 HZ PHE 27 HZ PHE 27 11.253 7.856 9.437 181 H PHE 28 H PHE 28 8.098 7.408 1.576 182 HA PHE 28 HA PHE 28 8.692 9.765 -0.070 183 1HB PHE 28 2HB PHE 28 8.894 6.874 -0.826 184 2HB PHE 28 1HB PHE 28 8.500 8.069 -2.044 185 HD1 PHE 28 1HD PHE 28 10.985 7.844 0.752 186 HD2 PHE 28 2HD PHE 28 10.261 8.616 -3.368 187 HE1 PHE 28 1HE PHE 28 13.375 8.320 0.426 188 HE2 PHE 28 2HE PHE 28 12.650 9.094 -3.703 189 HZ PHE 28 HZ PHE 28 14.212 8.945 -1.804 190 H TYR 29 H TYR 29 7.031 10.600 -1.119 191 HA TYR 29 HA TYR 29 4.388 9.505 -0.580 192 1HB TYR 29 2HB TYR 29 4.900 11.936 -0.181 193 2HB TYR 29 1HB TYR 29 5.122 12.124 -1.916 194 HD1 TYR 29 1HD TYR 29 3.334 12.982 -3.090 195 HD2 TYR 29 2HD TYR 29 2.566 10.725 0.435 196 HE1 TYR 29 1HE TYR 29 0.926 13.402 -3.352 197 HE2 TYR 29 2HE TYR 29 0.155 11.137 0.180 198 HH TYR 29 HH TYR 29 -1.402 11.696 -1.946 199 HA PRO 30 HA PRO 30 2.712 9.077 -1.067 200 1HB PRO 30 2HB PRO 30 0.779 7.648 -2.253 201 2HB PRO 30 1HB PRO 30 0.996 9.370 -2.586 202 1HG PRO 30 2HG PRO 30 1.542 7.056 -4.313 203 2HG PRO 30 1HG PRO 30 1.323 8.756 -4.752 204 1HD PRO 30 2HD PRO 30 3.795 7.272 -4.362 205 2HD PRO 30 1HD PRO 30 3.569 8.911 -5.008 206 H CYS 31 H CYS 31 1.660 7.200 0.072 207 HA CYS 31 HA CYS 31 3.518 5.000 0.266 208 1HB CYS 31 2HB CYS 31 0.920 5.549 1.712 209 2HB CYS 31 1HB CYS 31 1.987 4.204 2.067 210 H SER 32 H SER 32 2.969 2.780 -0.157 211 HA SER 32 HA SER 32 0.422 2.299 -1.477 212 1HB SER 32 2HB SER 32 1.740 1.241 -3.445 213 2HB SER 32 1HB SER 32 1.546 2.993 -3.399 214 HG SER 32 HG SER 32 3.641 3.082 -2.400 215 H CYS 33 H CYS 33 -0.323 0.281 -1.207 216 HA CYS 33 HA CYS 33 0.978 -1.531 0.526 217 1HB CYS 33 2HB CYS 33 -1.208 -2.339 -1.390 218 2HB CYS 33 1HB CYS 33 -0.876 -2.960 0.213 219 H ARG 34 H ARG 34 2.418 -3.023 0.118 220 HA ARG 34 HA ARG 34 2.939 -3.806 -2.678 221 1HB ARG 34 2HB ARG 34 4.913 -3.561 -0.395 222 2HB ARG 34 1HB ARG 34 5.296 -4.104 -2.019 223 1HG ARG 34 2HG ARG 34 4.213 -1.377 -1.373 224 2HG ARG 34 1HG ARG 34 5.929 -1.755 -1.540 225 1HD ARG 34 2HD ARG 34 5.726 -2.228 -3.812 226 2HD ARG 34 1HD ARG 34 3.978 -2.429 -3.710 227 HE ARG 34 HE ARG 34 4.454 0.187 -3.003 228 1HH1 ARG 34 1HH1 ARG 34 5.151 -1.795 -5.803 229 2HH1 ARG 34 2HH1 ARG 34 4.976 -0.491 -6.929 230 1HH2 ARG 34 1HH2 ARG 34 4.201 1.902 -4.468 231 2HH2 ARG 34 2HH2 ARG 34 4.433 1.623 -6.169 232 HA PRO 35 HA PRO 35 2.342 -8.009 -1.533 233 1HB PRO 35 2HB PRO 35 4.498 -9.254 -2.700 234 2HB PRO 35 1HB PRO 35 3.041 -8.763 -3.569 235 1HG PRO 35 2HG PRO 35 5.694 -7.407 -3.391 236 2HG PRO 35 1HG PRO 35 4.602 -7.562 -4.779 237 1HD PRO 35 2HD PRO 35 4.794 -5.289 -3.333 238 2HD PRO 35 1HD PRO 35 3.278 -5.803 -4.092 239 H LYS 36 H LYS 36 3.036 -9.593 -0.063 240 HA LYS 36 HA LYS 36 4.853 -8.613 1.922 241 1HB LYS 36 2HB LYS 36 2.834 -9.788 2.591 242 2HB LYS 36 1HB LYS 36 3.332 -11.216 1.694 243 1HG LYS 36 2HG LYS 36 5.265 -11.462 3.202 244 2HG LYS 36 1HG LYS 36 4.690 -10.074 4.129 245 1HD LYS 36 2HD LYS 36 2.668 -11.243 4.716 246 2HD LYS 36 1HD LYS 36 3.097 -12.593 3.665 247 1HE LYS 36 2HE LYS 36 4.621 -11.708 6.113 248 2HE LYS 36 1HE LYS 36 3.543 -13.099 6.020 249 1HZ LYS 36 1HZ LYS 36 5.043 -13.943 4.214 250 2HZ LYS 36 2HZ LYS 36 5.726 -13.912 5.761 251 3HZ LYS 36 3HZ LYS 36 6.134 -12.719 4.632 252 H GLY 37 H GLY 37 6.958 -8.869 1.869 253 1HA GLY 37 2HA GLY 37 8.592 -10.900 1.868 254 2HA GLY 37 1HA GLY 37 8.113 -10.966 0.176 255 H TRP 38 H TRP 38 7.837 -8.044 0.053 256 HA TRP 38 HA TRP 38 10.642 -7.424 -0.412 257 1HB TRP 38 2HB TRP 38 8.070 -6.058 -1.229 258 2HB TRP 38 1HB TRP 38 9.651 -5.334 -1.488 259 HD1 TRP 38 HD TRP 38 10.728 -5.840 -3.738 260 HE1 TRP 38 1HE TRP 38 10.388 -7.575 -5.608 261 HE3 TRP 38 3HE TRP 38 7.180 -8.764 -1.505 262 HZ2 TRP 38 2HZ TRP 38 8.824 -9.874 -6.077 263 HZ3 TRP 38 3HZ TRP 38 6.313 -10.713 -2.733 264 HH2 TRP 38 HH TRP 38 7.118 -11.253 -4.974 Start of MODEL 13 1 1H LYS 1 1HT LYS 1 -14.582 -3.610 -0.276 2 2H LYS 1 2HT LYS 1 -13.354 -3.924 0.844 3 H LYS 1 H LYS 1 -13.689 -3.734 0.812 4 3H LYS 1 3HT LYS 1 -13.755 -5.085 -0.319 5 HA LYS 1 HA LYS 1 -12.548 -4.129 -1.916 6 1HB LYS 1 2HB LYS 1 -13.197 -1.447 -0.660 7 2HB LYS 1 1HB LYS 1 -12.422 -1.695 -2.217 8 1HG LYS 1 2HG LYS 1 -14.502 -2.867 -2.967 9 2HG LYS 1 1HG LYS 1 -15.255 -2.355 -1.458 10 1HD LYS 1 2HD LYS 1 -14.080 -0.507 -3.538 11 2HD LYS 1 1HD LYS 1 -15.795 -0.863 -3.351 12 1HE LYS 1 2HE LYS 1 -15.744 1.038 -2.125 13 2HE LYS 1 1HE LYS 1 -15.244 -0.072 -0.852 14 1HZ LYS 1 1HZ LYS 1 -12.927 0.655 -2.177 15 2HZ LYS 1 2HZ LYS 1 -13.418 1.152 -0.637 16 3HZ LYS 1 3HZ LYS 1 -13.812 2.086 -1.994 17 H CYS 2 H CYS 2 -10.320 -3.686 -2.043 18 HA CYS 2 HA CYS 2 -8.898 -2.597 0.190 19 1HB CYS 2 2HB CYS 2 -7.551 -4.606 0.660 20 2HB CYS 2 1HB CYS 2 -9.241 -4.822 1.081 21 H LEU 3 H LEU 3 -6.664 -2.368 -0.222 22 HA LEU 3 HA LEU 3 -6.127 -1.852 -3.002 23 1HB LEU 3 2HB LEU 3 -4.365 -1.531 -0.577 24 2HB LEU 3 1HB LEU 3 -4.073 -0.847 -2.160 25 HG LEU 3 HG LEU 3 -6.380 -0.144 -0.355 26 1HD1 LEU 3 1HD1 LEU 3 -4.559 1.986 -1.033 27 2HD1 LEU 3 2HD1 LEU 3 -3.733 0.668 -0.204 28 3HD1 LEU 3 3HD1 LEU 3 -5.127 1.445 0.547 29 1HD2 LEU 3 1HD2 LEU 3 -7.355 0.689 -2.167 30 2HD2 LEU 3 2HD2 LEU 3 -5.979 0.226 -3.168 31 3HD2 LEU 3 3HD2 LEU 3 -5.992 1.791 -2.355 32 H ALA 4 H ALA 4 -5.073 -3.145 -4.369 33 HA ALA 4 HA ALA 4 -4.076 -5.690 -3.486 34 1HB ALA 4 1HB ALA 4 -3.382 -5.415 -6.151 35 2HB ALA 4 2HB ALA 4 -4.856 -4.459 -5.989 36 3HB ALA 4 3HB ALA 4 -4.850 -6.159 -5.518 37 H GLU 5 H GLU 5 -1.981 -6.166 -5.224 38 HA GLU 5 HA GLU 5 0.194 -5.120 -3.744 39 1HB GLU 5 2HB GLU 5 1.571 -6.227 -5.631 40 2HB GLU 5 1HB GLU 5 0.637 -7.243 -4.547 41 1HG GLU 5 2HG GLU 5 -0.567 -6.373 -7.131 42 2HG GLU 5 1HG GLU 5 0.632 -7.665 -7.120 43 H ALA 6 H ALA 6 1.416 -3.475 -4.024 44 HA ALA 6 HA ALA 6 2.346 -1.568 -4.791 45 1HB ALA 6 1HB ALA 6 2.726 -3.255 -6.830 46 2HB ALA 6 2HB ALA 6 3.210 -1.560 -6.889 47 3HB ALA 6 3HB ALA 6 1.695 -2.071 -7.636 48 H ALA 7 H ALA 7 -0.289 -1.501 -3.928 49 HA ALA 7 HA ALA 7 -1.509 0.457 -5.766 50 1HB ALA 7 1HB ALA 7 -2.886 -1.044 -3.544 51 2HB ALA 7 2HB ALA 7 -2.872 -1.555 -5.231 52 3HB ALA 7 3HB ALA 7 -3.638 -0.033 -4.779 53 H ASP 8 H ASP 8 -1.479 2.519 -5.178 54 HA ASP 8 HA ASP 8 -0.256 3.403 -2.818 55 1HB ASP 8 2HB ASP 8 -2.010 4.893 -4.775 56 2HB ASP 8 1HB ASP 8 -1.085 5.662 -3.488 57 H CYS 9 H CYS 9 -0.947 3.828 -0.876 58 HA CYS 9 HA CYS 9 -3.640 3.168 -0.112 59 1HB CYS 9 2HB CYS 9 -1.617 4.348 1.758 60 2HB CYS 9 1HB CYS 9 -2.844 3.128 2.075 61 H SER 10 H SER 10 -5.026 4.565 1.092 62 HA SER 10 HA SER 10 -5.054 7.254 0.064 63 1HB SER 10 2HB SER 10 -6.900 6.015 2.116 64 2HB SER 10 1HB SER 10 -7.221 7.420 1.097 65 HG SER 10 HG SER 10 -6.570 5.422 -0.506 66 HA PRO 11 HA PRO 11 -2.646 8.954 3.384 67 1HB PRO 11 2HB PRO 11 -3.318 11.578 2.959 68 2HB PRO 11 1HB PRO 11 -2.111 10.696 2.016 69 1HG PRO 11 2HG PRO 11 -4.981 11.254 1.371 70 2HG PRO 11 1HG PRO 11 -3.562 11.349 0.317 71 1HD PRO 11 2HD PRO 11 -5.224 9.255 0.229 72 2HD PRO 11 1HD PRO 11 -3.472 9.055 0.015 73 H TRP 12 H TRP 12 -5.852 10.513 3.000 74 HA TRP 12 HA TRP 12 -5.990 11.037 5.821 75 1HB TRP 12 2HB TRP 12 -8.114 11.376 3.694 76 2HB TRP 12 1HB TRP 12 -8.190 12.011 5.334 77 HD1 TRP 12 HD TRP 12 -6.387 13.994 5.936 78 HE1 TRP 12 1HE TRP 12 -5.364 15.802 4.417 79 HE3 TRP 12 3HE TRP 12 -7.363 11.882 1.382 80 HZ2 TRP 12 2HZ TRP 12 -5.024 16.276 1.657 81 HZ3 TRP 12 3HZ TRP 12 -6.660 13.081 -0.648 82 HH2 TRP 12 HH TRP 12 -5.516 15.234 -0.511 83 H SER 13 H SER 13 -7.853 9.024 3.565 84 HA SER 13 HA SER 13 -8.099 6.842 5.306 85 1HB SER 13 2HB SER 13 -9.585 8.499 6.521 86 2HB SER 13 1HB SER 13 -10.649 8.467 5.116 87 HG SER 13 HG SER 13 -10.282 6.595 7.103 88 H GLY 14 H GLY 14 -9.160 5.097 4.296 89 1HA GLY 14 2HA GLY 14 -10.839 5.216 2.090 90 2HA GLY 14 1HA GLY 14 -9.195 5.191 1.468 91 H ASP 15 H ASP 15 -9.395 3.167 0.535 92 HA ASP 15 HA ASP 15 -10.283 0.894 2.028 93 1HB ASP 15 2HB ASP 15 -9.006 1.235 -0.664 94 2HB ASP 15 1HB ASP 15 -9.199 -0.362 0.037 95 H SER 16 H SER 16 -9.112 -0.766 2.838 96 HA SER 16 HA SER 16 -6.389 -0.124 3.638 97 1HB SER 16 2HB SER 16 -8.138 -2.460 4.447 98 2HB SER 16 1HB SER 16 -6.635 -1.957 5.216 99 HG SER 16 HG SER 16 -8.471 0.061 5.031 100 H CYS 17 H CYS 17 -4.669 -1.718 3.381 101 HA CYS 17 HA CYS 17 -4.545 -2.778 0.764 102 1HB CYS 17 2HB CYS 17 -2.790 -3.566 3.100 103 2HB CYS 17 1HB CYS 17 -2.390 -3.648 1.389 104 H CYS 18 H CYS 18 -4.812 -4.853 -0.003 105 HA CYS 18 HA CYS 18 -6.474 -6.662 1.427 106 1HB CYS 18 2HB CYS 18 -4.737 -7.270 -0.984 107 2HB CYS 18 1HB CYS 18 -6.127 -8.194 -0.436 108 H LYS 19 H LYS 19 -5.928 -8.633 2.377 109 HA LYS 19 HA LYS 19 -3.293 -8.676 3.523 110 1HB LYS 19 2HB LYS 19 -4.152 -10.716 4.680 111 2HB LYS 19 1HB LYS 19 -5.100 -9.272 4.961 112 1HG LYS 19 2HG LYS 19 -6.761 -10.027 3.360 113 2HG LYS 19 1HG LYS 19 -5.788 -11.455 3.003 114 1HD LYS 19 2HD LYS 19 -6.910 -10.785 5.719 115 2HD LYS 19 1HD LYS 19 -7.670 -11.887 4.570 116 1HE LYS 19 2HE LYS 19 -5.655 -13.297 4.621 117 2HE LYS 19 1HE LYS 19 -4.933 -12.204 5.801 118 1HZ LYS 19 1HZ LYS 19 -6.083 -13.135 7.446 119 2HZ LYS 19 2HZ LYS 19 -6.436 -14.392 6.374 120 3HZ LYS 19 3HZ LYS 19 -7.534 -13.124 6.577 121 HA PRO 20 HA PRO 20 -1.877 -9.663 4.236 122 1HB PRO 20 2HB PRO 20 0.491 -10.904 4.220 123 2HB PRO 20 1HB PRO 20 -0.998 -11.779 4.598 124 1HG PRO 20 2HG PRO 20 0.698 -11.928 2.193 125 2HG PRO 20 1HG PRO 20 -0.479 -13.097 2.809 126 1HD PRO 20 2HD PRO 20 -0.826 -11.065 0.752 127 2HD PRO 20 1HD PRO 20 -1.934 -12.371 1.224 128 H TYR 21 H TYR 21 -1.803 -8.119 1.762 129 HA TYR 21 HA TYR 21 0.940 -7.295 1.358 130 1HB TYR 21 2HB TYR 21 -1.548 -5.874 0.368 131 2HB TYR 21 1HB TYR 21 0.092 -5.708 -0.237 132 HD1 TYR 21 1HD TYR 21 -2.654 -8.227 0.085 133 HD2 TYR 21 2HD TYR 21 0.815 -6.984 -2.032 134 HE1 TYR 21 1HE TYR 21 -3.060 -9.976 -1.593 135 HE2 TYR 21 2HE TYR 21 0.416 -8.726 -3.716 136 HH TYR 21 HH TYR 21 -1.487 -10.048 -4.593 137 H LEU 22 H LEU 22 1.876 -5.390 2.043 138 HA LEU 22 HA LEU 22 0.395 -3.979 4.168 139 1HB LEU 22 2HB LEU 22 2.128 -5.393 5.088 140 2HB LEU 22 1HB LEU 22 3.320 -4.690 4.014 141 HG LEU 22 HG LEU 22 2.991 -2.500 5.181 142 1HD1 LEU 22 1HD1 LEU 22 1.958 -2.791 7.526 143 2HD1 LEU 22 2HD1 LEU 22 1.140 -4.186 6.822 144 3HD1 LEU 22 3HD1 LEU 22 0.884 -2.577 6.146 145 1HD2 LEU 22 1HD2 LEU 22 3.782 -3.936 7.484 146 2HD2 LEU 22 2HD2 LEU 22 4.803 -3.147 6.281 147 3HD2 LEU 22 3HD2 LEU 22 4.346 -4.838 6.077 148 H CYS 23 H CYS 23 0.458 -1.796 4.248 149 HA CYS 23 HA CYS 23 1.212 -0.361 1.900 150 1HB CYS 23 2HB CYS 23 -0.732 0.245 3.358 151 2HB CYS 23 1HB CYS 23 0.409 0.750 4.599 152 H SER 24 H SER 24 3.140 0.491 1.436 153 HA SER 24 HA SER 24 5.114 0.633 3.595 154 1HB SER 24 2HB SER 24 6.803 0.670 1.759 155 2HB SER 24 1HB SER 24 5.808 -0.783 1.765 156 HG SER 24 HG SER 24 4.467 0.489 0.178 157 H CYS 25 H CYS 25 5.882 2.485 4.285 158 HA CYS 25 HA CYS 25 5.310 4.935 2.762 159 1HB CYS 25 2HB CYS 25 5.427 4.479 5.750 160 2HB CYS 25 1HB CYS 25 5.447 6.082 5.025 161 H ILE 26 H ILE 26 7.396 4.087 1.769 162 HA ILE 26 HA ILE 26 9.821 4.256 3.238 163 HB ILE 26 HB ILE 26 10.951 4.169 1.033 164 1HG1 ILE 26 2HG1 ILE 26 9.014 5.371 -0.169 165 2HG1 ILE 26 1HG1 ILE 26 9.800 4.046 -1.012 166 1HG2 ILE 26 1HG2 ILE 26 8.801 2.091 1.330 167 2HG2 ILE 26 2HG2 ILE 26 10.247 2.178 2.334 168 3HG2 ILE 26 3HG2 ILE 26 10.394 1.898 0.600 169 1HD1 ILE 26 1HD1 ILE 26 7.170 4.312 -0.909 170 2HD1 ILE 26 2HD1 ILE 26 7.391 3.405 0.588 171 3HD1 ILE 26 3HD1 ILE 26 7.952 2.732 -0.943 172 H PHE 27 H PHE 27 8.495 6.612 3.722 173 HA PHE 27 HA PHE 27 8.813 8.843 3.897 174 1HB PHE 27 2HB PHE 27 11.521 7.962 2.947 175 2HB PHE 27 1HB PHE 27 11.172 9.663 3.203 176 HD1 PHE 27 1HD PHE 27 10.341 6.550 5.102 177 HD2 PHE 27 2HD PHE 27 12.143 10.405 5.138 178 HE1 PHE 27 1HE PHE 27 10.839 6.291 7.498 179 HE2 PHE 27 2HE PHE 27 12.644 10.152 7.533 180 HZ PHE 27 HZ PHE 27 11.993 8.093 8.715 181 H PHE 28 H PHE 28 7.840 7.634 1.315 182 HA PHE 28 HA PHE 28 8.184 10.058 -0.307 183 1HB PHE 28 2HB PHE 28 8.252 7.199 -1.205 184 2HB PHE 28 1HB PHE 28 7.699 8.452 -2.299 185 HD1 PHE 28 1HD PHE 28 9.252 9.105 -3.821 186 HD2 PHE 28 2HD PHE 28 10.564 8.038 0.081 187 HE1 PHE 28 1HE PHE 28 11.575 9.580 -4.477 188 HE2 PHE 28 2HE PHE 28 12.889 8.514 -0.565 189 HZ PHE 28 HZ PHE 28 13.397 9.287 -2.847 190 H TYR 29 H TYR 29 6.381 10.929 -1.063 191 HA TYR 29 HA TYR 29 3.854 9.801 -0.161 192 1HB TYR 29 2HB TYR 29 4.407 12.201 0.275 193 2HB TYR 29 1HB TYR 29 4.396 12.483 -1.462 194 HD1 TYR 29 1HD TYR 29 2.494 13.496 -2.269 195 HD2 TYR 29 2HD TYR 29 2.145 10.870 1.061 196 HE1 TYR 29 1HE TYR 29 0.076 13.936 -2.181 197 HE2 TYR 29 2HE TYR 29 -0.274 11.300 1.155 198 HH TYR 29 HH TYR 29 -1.790 13.725 -0.885 199 HA PRO 30 HA PRO 30 2.201 9.218 -0.370 200 1HB PRO 30 2HB PRO 30 0.205 7.675 -1.257 201 2HB PRO 30 1HB PRO 30 0.217 9.418 -1.548 202 1HG PRO 30 2HG PRO 30 0.661 7.200 -3.438 203 2HG PRO 30 1HG PRO 30 0.152 8.866 -3.758 204 1HD PRO 30 2HD PRO 30 2.804 7.717 -3.953 205 2HD PRO 30 1HD PRO 30 2.272 9.353 -4.392 206 H CYS 31 H CYS 31 1.402 7.105 0.693 207 HA CYS 31 HA CYS 31 3.518 5.149 0.526 208 1HB CYS 31 2HB CYS 31 0.998 5.162 2.211 209 2HB CYS 31 1HB CYS 31 2.360 4.069 2.408 210 H SER 32 H SER 32 3.167 2.919 -0.079 211 HA SER 32 HA SER 32 0.590 2.379 -1.369 212 1HB SER 32 2HB SER 32 2.129 1.287 -3.238 213 2HB SER 32 1HB SER 32 1.669 2.989 -3.297 214 HG SER 32 HG SER 32 3.646 3.580 -2.692 215 H CYS 33 H CYS 33 -0.113 0.316 -1.259 216 HA CYS 33 HA CYS 33 1.132 -1.456 0.583 217 1HB CYS 33 2HB CYS 33 -1.012 -2.284 -1.363 218 2HB CYS 33 1HB CYS 33 -0.706 -2.893 0.253 219 H ARG 34 H ARG 34 2.503 -3.040 0.255 220 HA ARG 34 HA ARG 34 3.144 -3.799 -2.516 221 1HB ARG 34 2HB ARG 34 4.987 -3.736 -0.117 222 2HB ARG 34 1HB ARG 34 5.435 -4.249 -1.735 223 1HG ARG 34 2HG ARG 34 4.494 -1.482 -1.018 224 2HG ARG 34 1HG ARG 34 6.182 -1.965 -1.194 225 1HD ARG 34 2HD ARG 34 5.986 -2.287 -3.481 226 2HD ARG 34 1HD ARG 34 4.234 -2.459 -3.406 227 HE ARG 34 HE ARG 34 4.790 0.123 -2.582 228 1HH1 ARG 34 1HH1 ARG 34 5.357 -1.770 -5.471 229 2HH1 ARG 34 2HH1 ARG 34 5.164 -0.428 -6.547 230 1HH2 ARG 34 1HH2 ARG 34 4.512 1.898 -3.991 231 2HH2 ARG 34 2HH2 ARG 34 4.685 1.666 -5.705 232 HA PRO 35 HA PRO 35 2.082 -7.929 -1.492 233 1HB PRO 35 2HB PRO 35 4.064 -9.323 -2.808 234 2HB PRO 35 1HB PRO 35 2.606 -8.682 -3.569 235 1HG PRO 35 2HG PRO 35 5.376 -7.605 -3.570 236 2HG PRO 35 1HG PRO 35 4.140 -7.537 -4.838 237 1HD PRO 35 2HD PRO 35 4.782 -5.426 -3.235 238 2HD PRO 35 1HD PRO 35 3.184 -5.645 -3.966 239 H LYS 36 H LYS 36 2.679 -9.695 -0.173 240 HA LYS 36 HA LYS 36 4.606 -9.002 1.831 241 1HB LYS 36 2HB LYS 36 2.401 -10.133 2.273 242 2HB LYS 36 1HB LYS 36 3.047 -11.579 1.514 243 1HG LYS 36 2HG LYS 36 4.380 -10.315 3.889 244 2HG LYS 36 1HG LYS 36 3.053 -11.462 4.063 245 1HD LYS 36 2HD LYS 36 5.682 -11.984 2.670 246 2HD LYS 36 1HD LYS 36 5.222 -12.571 4.269 247 1HE LYS 36 2HE LYS 36 3.519 -13.960 3.357 248 2HE LYS 36 1HE LYS 36 3.666 -13.206 1.769 249 1HZ LYS 36 1HZ LYS 36 5.859 -14.735 3.053 250 2HZ LYS 36 2HZ LYS 36 5.774 -14.203 1.449 251 3HZ LYS 36 3HZ LYS 36 4.741 -15.430 1.989 252 H GLY 37 H GLY 37 6.682 -9.284 1.529 253 1HA GLY 37 2HA GLY 37 8.244 -11.363 1.423 254 2HA GLY 37 1HA GLY 37 7.637 -11.428 -0.229 255 H TRP 38 H TRP 38 7.432 -8.483 -0.311 256 HA TRP 38 HA TRP 38 10.211 -7.943 -1.002 257 1HB TRP 38 2HB TRP 38 7.614 -6.544 -1.658 258 2HB TRP 38 1HB TRP 38 9.181 -5.828 -2.012 259 HD1 TRP 38 HD TRP 38 10.139 -6.362 -4.316 260 HE1 TRP 38 1HE TRP 38 9.665 -8.096 -6.157 261 HE3 TRP 38 3HE TRP 38 6.669 -9.216 -1.878 262 HZ2 TRP 38 2HZ TRP 38 8.035 -10.369 -6.531 263 HZ3 TRP 38 3HZ TRP 38 5.699 -11.153 -3.048 264 HH2 TRP 38 HH TRP 38 6.367 -11.713 -5.329 Start of MODEL 14 1 1H LYS 1 1HT LYS 1 -13.105 -5.168 0.223 2 2H LYS 1 2HT LYS 1 -13.256 -6.096 -1.185 3 H LYS 1 H LYS 1 -13.664 -4.931 0.165 4 3H LYS 1 3HT LYS 1 -14.386 -4.882 -0.846 5 HA LYS 1 HA LYS 1 -12.313 -4.554 -2.487 6 1HB LYS 1 2HB LYS 1 -14.393 -3.085 -1.538 7 2HB LYS 1 1HB LYS 1 -13.051 -2.201 -0.832 8 1HG LYS 1 2HG LYS 1 -13.467 -2.746 -3.765 9 2HG LYS 1 1HG LYS 1 -13.748 -1.215 -2.938 10 1HD LYS 1 2HD LYS 1 -11.264 -1.385 -2.260 11 2HD LYS 1 1HD LYS 1 -11.152 -2.585 -3.549 12 1HE LYS 1 2HE LYS 1 -10.531 -0.456 -4.455 13 2HE LYS 1 1HE LYS 1 -12.107 -0.895 -5.112 14 1HZ LYS 1 1HZ LYS 1 -12.938 0.490 -3.072 15 2HZ LYS 1 2HZ LYS 1 -12.471 1.265 -4.499 16 3HZ LYS 1 3HZ LYS 1 -11.408 1.208 -3.178 17 H CYS 2 H CYS 2 -10.155 -4.158 -2.376 18 HA CYS 2 HA CYS 2 -8.932 -2.957 -0.083 19 1HB CYS 2 2HB CYS 2 -7.443 -4.880 0.427 20 2HB CYS 2 1HB CYS 2 -9.129 -5.193 0.817 21 H LEU 3 H LEU 3 -6.643 -2.652 -0.382 22 HA LEU 3 HA LEU 3 -6.050 -2.025 -3.127 23 1HB LEU 3 2HB LEU 3 -4.384 -1.708 -0.631 24 2HB LEU 3 1HB LEU 3 -4.048 -0.983 -2.188 25 HG LEU 3 HG LEU 3 -6.480 -0.389 -0.510 26 1HD1 LEU 3 1HD1 LEU 3 -3.792 0.567 -0.314 27 2HD1 LEU 3 2HD1 LEU 3 -5.200 0.981 0.664 28 3HD1 LEU 3 3HD1 LEU 3 -4.858 1.881 -0.814 29 1HD2 LEU 3 1HD2 LEU 3 -5.934 0.046 -3.255 30 2HD2 LEU 3 2HD2 LEU 3 -5.867 1.609 -2.440 31 3HD2 LEU 3 3HD2 LEU 3 -7.313 0.607 -2.309 32 H ALA 4 H ALA 4 -4.910 -3.238 -4.496 33 HA ALA 4 HA ALA 4 -3.872 -5.786 -3.673 34 1HB ALA 4 1HB ALA 4 -4.884 -4.702 -6.025 35 2HB ALA 4 2HB ALA 4 -4.247 -6.331 -5.789 36 3HB ALA 4 3HB ALA 4 -3.189 -5.047 -6.372 37 H GLU 5 H GLU 5 -1.740 -6.043 -5.500 38 HA GLU 5 HA GLU 5 0.394 -5.093 -3.879 39 1HB GLU 5 2HB GLU 5 1.825 -6.008 -5.833 40 2HB GLU 5 1HB GLU 5 0.903 -7.133 -4.849 41 1HG GLU 5 2HG GLU 5 -0.230 -6.057 -7.397 42 2HG GLU 5 1HG GLU 5 0.909 -7.404 -7.408 43 H ALA 6 H ALA 6 1.529 -3.362 -3.979 44 HA ALA 6 HA ALA 6 2.399 -1.361 -4.580 45 1HB ALA 6 1HB ALA 6 3.259 -2.689 -6.531 46 2HB ALA 6 2HB ALA 6 3.055 -0.963 -6.833 47 3HB ALA 6 3HB ALA 6 1.868 -2.113 -7.449 48 H ALA 7 H ALA 7 -0.299 -1.518 -3.861 49 HA ALA 7 HA ALA 7 -1.632 0.356 -5.687 50 1HB ALA 7 1HB ALA 7 -3.399 -0.290 -3.621 51 2HB ALA 7 2HB ALA 7 -2.548 -1.784 -4.013 52 3HB ALA 7 3HB ALA 7 -3.405 -0.900 -5.275 53 H ASP 8 H ASP 8 -2.015 2.418 -5.200 54 HA ASP 8 HA ASP 8 -0.692 3.712 -3.085 55 1HB ASP 8 2HB ASP 8 -1.401 4.744 -5.278 56 2HB ASP 8 1HB ASP 8 -3.046 4.792 -4.651 57 H CYS 9 H CYS 9 -1.283 4.233 -1.068 58 HA CYS 9 HA CYS 9 -3.833 3.203 -0.088 59 1HB CYS 9 2HB CYS 9 -1.711 4.453 1.625 60 2HB CYS 9 1HB CYS 9 -2.910 3.250 2.067 61 H SER 10 H SER 10 -5.210 4.464 1.246 62 HA SER 10 HA SER 10 -5.468 7.182 0.333 63 1HB SER 10 2HB SER 10 -7.104 5.753 2.436 64 2HB SER 10 1HB SER 10 -7.570 7.174 1.498 65 HG SER 10 HG SER 10 -6.920 5.337 -0.253 66 HA PRO 11 HA PRO 11 -2.933 8.932 3.526 67 1HB PRO 11 2HB PRO 11 -3.939 11.495 3.330 68 2HB PRO 11 1HB PRO 11 -2.684 10.819 2.287 69 1HG PRO 11 2HG PRO 11 -5.621 11.089 1.793 70 2HG PRO 11 1HG PRO 11 -4.270 11.365 0.682 71 1HD PRO 11 2HD PRO 11 -5.725 9.126 0.567 72 2HD PRO 11 1HD PRO 11 -3.972 9.101 0.278 73 H TRP 12 H TRP 12 -6.258 10.286 3.559 74 HA TRP 12 HA TRP 12 -6.166 10.517 6.425 75 1HB TRP 12 2HB TRP 12 -8.489 10.956 4.537 76 2HB TRP 12 1HB TRP 12 -8.438 11.421 6.233 77 HD1 TRP 12 HD TRP 12 -6.727 13.453 6.877 78 HE1 TRP 12 1HE TRP 12 -5.923 15.449 5.466 79 HE3 TRP 12 3HE TRP 12 -7.919 11.695 2.225 80 HZ2 TRP 12 2HZ TRP 12 -5.815 16.185 2.744 81 HZ3 TRP 12 3HZ TRP 12 -7.438 13.111 0.271 82 HH2 TRP 12 HH TRP 12 -6.408 15.309 0.528 83 H SER 13 H SER 13 -8.151 8.675 4.132 84 HA SER 13 HA SER 13 -8.150 6.299 5.618 85 1HB SER 13 2HB SER 13 -9.585 7.756 7.135 86 2HB SER 13 1HB SER 13 -10.774 7.798 5.833 87 HG SER 13 HG SER 13 -10.050 5.715 7.525 88 H GLY 14 H GLY 14 -9.221 4.636 4.483 89 1HA GLY 14 2HA GLY 14 -11.101 4.925 2.470 90 2HA GLY 14 1HA GLY 14 -9.529 5.105 1.704 91 H ASP 15 H ASP 15 -9.476 3.258 0.550 92 HA ASP 15 HA ASP 15 -10.304 0.729 1.489 93 1HB ASP 15 2HB ASP 15 -8.472 1.514 -0.771 94 2HB ASP 15 1HB ASP 15 -8.918 -0.150 -0.439 95 H SER 16 H SER 16 -9.209 -0.960 2.310 96 HA SER 16 HA SER 16 -6.611 -0.363 3.510 97 1HB SER 16 2HB SER 16 -8.422 -2.717 4.066 98 2HB SER 16 1HB SER 16 -7.066 -2.158 5.043 99 HG SER 16 HG SER 16 -8.898 -0.193 4.610 100 H CYS 17 H CYS 17 -4.870 -1.861 3.298 101 HA CYS 17 HA CYS 17 -4.541 -2.916 0.705 102 1HB CYS 17 2HB CYS 17 -2.943 -3.653 3.168 103 2HB CYS 17 1HB CYS 17 -2.422 -3.774 1.493 104 H CYS 18 H CYS 18 -4.654 -5.001 -0.090 105 HA CYS 18 HA CYS 18 -6.362 -6.876 1.210 106 1HB CYS 18 2HB CYS 18 -4.444 -7.357 -1.093 107 2HB CYS 18 1HB CYS 18 -5.778 -8.400 -0.624 108 H LYS 19 H LYS 19 -5.805 -8.802 2.232 109 HA LYS 19 HA LYS 19 -3.283 -8.689 3.587 110 1HB LYS 19 2HB LYS 19 -4.114 -10.747 4.711 111 2HB LYS 19 1HB LYS 19 -5.187 -9.372 4.855 112 1HG LYS 19 2HG LYS 19 -6.636 -10.283 3.150 113 2HG LYS 19 1HG LYS 19 -5.523 -11.626 2.886 114 1HD LYS 19 2HD LYS 19 -6.899 -11.047 5.502 115 2HD LYS 19 1HD LYS 19 -7.492 -12.196 4.302 116 1HE LYS 19 2HE LYS 19 -5.379 -13.451 4.502 117 2HE LYS 19 1HE LYS 19 -4.845 -12.321 5.745 118 1HZ LYS 19 1HZ LYS 19 -5.856 -13.598 7.223 119 2HZ LYS 19 2HZ LYS 19 -6.490 -14.597 6.015 120 3HZ LYS 19 3HZ LYS 19 -7.348 -13.229 6.514 121 HA PRO 20 HA PRO 20 -1.910 -9.538 4.453 122 1HB PRO 20 2HB PRO 20 0.520 -10.608 4.731 123 2HB PRO 20 1HB PRO 20 -0.935 -11.582 4.966 124 1HG PRO 20 2HG PRO 20 1.020 -11.644 2.759 125 2HG PRO 20 1HG PRO 20 -0.117 -12.894 3.286 126 1HD PRO 20 2HD PRO 20 -0.410 -10.950 1.140 127 2HD PRO 20 1HD PRO 20 -1.459 -12.325 1.545 128 H TYR 21 H TYR 21 -1.631 -8.164 1.847 129 HA TYR 21 HA TYR 21 1.034 -7.152 1.616 130 1HB TYR 21 2HB TYR 21 -1.511 -5.893 0.542 131 2HB TYR 21 1HB TYR 21 0.131 -5.529 0.042 132 HD1 TYR 21 1HD TYR 21 -2.063 -8.568 0.324 133 HD2 TYR 21 2HD TYR 21 0.815 -6.419 -1.950 134 HE1 TYR 21 1HE TYR 21 -2.182 -10.281 -1.433 135 HE2 TYR 21 2HE TYR 21 0.702 -8.125 -3.712 136 HH TYR 21 HH TYR 21 -0.831 -9.829 -4.538 137 H LEU 22 H LEU 22 1.859 -5.185 2.239 138 HA LEU 22 HA LEU 22 0.301 -3.758 4.292 139 1HB LEU 22 2HB LEU 22 2.033 -5.122 5.318 140 2HB LEU 22 1HB LEU 22 3.246 -4.410 4.274 141 HG LEU 22 HG LEU 22 2.820 -2.207 5.365 142 1HD1 LEU 22 1HD1 LEU 22 0.640 -2.352 6.200 143 2HD1 LEU 22 2HD1 LEU 22 1.664 -2.394 7.635 144 3HD1 LEU 22 3HD1 LEU 22 0.957 -3.884 7.012 145 1HD2 LEU 22 1HD2 LEU 22 3.915 -4.593 6.720 146 2HD2 LEU 22 2HD2 LEU 22 3.666 -3.159 7.716 147 3HD2 LEU 22 3HD2 LEU 22 4.696 -3.073 6.287 148 H CYS 23 H CYS 23 0.352 -1.561 4.267 149 HA CYS 23 HA CYS 23 1.139 -0.263 1.860 150 1HB CYS 23 2HB CYS 23 -0.811 0.434 3.259 151 2HB CYS 23 1HB CYS 23 0.323 1.007 4.479 152 H SER 24 H SER 24 3.052 0.596 1.353 153 HA SER 24 HA SER 24 5.042 0.804 3.483 154 1HB SER 24 2HB SER 24 6.704 0.877 1.633 155 2HB SER 24 1HB SER 24 5.723 -0.587 1.623 156 HG SER 24 HG SER 24 4.386 0.527 0.029 157 H CYS 25 H CYS 25 5.778 2.648 4.178 158 HA CYS 25 HA CYS 25 5.229 5.118 2.674 159 1HB CYS 25 2HB CYS 25 5.097 4.568 5.639 160 2HB CYS 25 1HB CYS 25 5.325 6.198 5.020 161 H ILE 26 H ILE 26 7.364 4.369 1.770 162 HA ILE 26 HA ILE 26 9.708 4.401 3.361 163 HB ILE 26 HB ILE 26 10.892 4.580 1.127 164 1HG1 ILE 26 2HG1 ILE 26 8.061 4.276 0.090 165 2HG1 ILE 26 1HG1 ILE 26 9.053 5.719 -0.080 166 1HG2 ILE 26 1HG2 ILE 26 9.899 2.482 2.454 167 2HG2 ILE 26 2HG2 ILE 26 10.794 2.333 0.941 168 3HG2 ILE 26 3HG2 ILE 26 9.030 2.299 0.929 169 1HD1 ILE 26 1HD1 ILE 26 9.837 4.914 -1.980 170 2HD1 ILE 26 2HD1 ILE 26 8.925 3.421 -1.750 171 3HD1 ILE 26 3HD1 ILE 26 10.557 3.567 -1.097 172 H PHE 27 H PHE 27 8.457 6.709 4.061 173 HA PHE 27 HA PHE 27 8.782 8.916 4.437 174 1HB PHE 27 2HB PHE 27 11.512 8.131 3.444 175 2HB PHE 27 1HB PHE 27 11.153 9.773 3.950 176 HD1 PHE 27 1HD PHE 27 12.023 10.242 6.007 177 HD2 PHE 27 2HD PHE 27 10.366 6.382 5.323 178 HE1 PHE 27 1HE PHE 27 12.495 9.629 8.341 179 HE2 PHE 27 2HE PHE 27 10.833 5.763 7.657 180 HZ PHE 27 HZ PHE 27 11.900 7.388 9.170 181 H PHE 28 H PHE 28 7.894 7.961 1.715 182 HA PHE 28 HA PHE 28 8.046 10.574 0.443 183 1HB PHE 28 2HB PHE 28 8.881 7.999 -0.884 184 2HB PHE 28 1HB PHE 28 8.321 9.379 -1.815 185 HD1 PHE 28 1HD PHE 28 9.700 11.278 -2.166 186 HD2 PHE 28 2HD PHE 28 10.996 8.127 0.382 187 HE1 PHE 28 1HE PHE 28 11.979 12.202 -2.190 188 HE2 PHE 28 2HE PHE 28 13.276 9.049 0.370 189 HZ PHE 28 HZ PHE 28 13.771 11.089 -0.918 190 H TYR 29 H TYR 29 6.245 11.117 -0.644 191 HA TYR 29 HA TYR 29 3.938 9.367 -0.327 192 1HB TYR 29 2HB TYR 29 3.939 11.854 0.294 193 2HB TYR 29 1HB TYR 29 3.967 12.185 -1.433 194 HD1 TYR 29 1HD TYR 29 2.021 10.147 1.029 195 HD2 TYR 29 2HD TYR 29 1.939 12.551 -2.482 196 HE1 TYR 29 1HE TYR 29 -0.428 9.942 0.952 197 HE2 TYR 29 2HE TYR 29 -0.511 12.355 -2.566 198 HH TYR 29 HH TYR 29 -2.227 10.321 -1.483 199 HA PRO 30 HA PRO 30 2.142 8.988 -1.087 200 1HB PRO 30 2HB PRO 30 0.542 7.399 -2.512 201 2HB PRO 30 1HB PRO 30 0.605 9.141 -2.801 202 1HG PRO 30 2HG PRO 30 1.695 6.920 -4.423 203 2HG PRO 30 1HG PRO 30 1.176 8.536 -4.929 204 1HD PRO 30 2HD PRO 30 3.842 7.622 -4.401 205 2HD PRO 30 1HD PRO 30 3.321 9.250 -4.877 206 H CYS 31 H CYS 31 1.502 7.184 0.165 207 HA CYS 31 HA CYS 31 3.452 5.062 0.282 208 1HB CYS 31 2HB CYS 31 0.935 5.544 1.897 209 2HB CYS 31 1HB CYS 31 2.118 4.289 2.234 210 H SER 32 H SER 32 3.089 2.909 -0.320 211 HA SER 32 HA SER 32 0.413 2.307 -1.351 212 1HB SER 32 2HB SER 32 1.835 1.130 -3.291 213 2HB SER 32 1HB SER 32 1.272 2.798 -3.402 214 HG SER 32 HG SER 32 3.287 3.506 -2.745 215 H CYS 33 H CYS 33 -0.273 0.253 -1.184 216 HA CYS 33 HA CYS 33 0.991 -1.477 0.668 217 1HB CYS 33 2HB CYS 33 -1.106 -2.340 -1.320 218 2HB CYS 33 1HB CYS 33 -0.803 -2.973 0.286 219 H ARG 34 H ARG 34 2.404 -3.048 0.401 220 HA ARG 34 HA ARG 34 3.057 -3.934 -2.337 221 1HB ARG 34 2HB ARG 34 5.021 -3.636 -0.055 222 2HB ARG 34 1HB ARG 34 5.391 -4.054 -1.720 223 1HG ARG 34 2HG ARG 34 4.327 -1.406 -0.766 224 2HG ARG 34 1HG ARG 34 5.998 -1.754 -1.208 225 1HD ARG 34 2HD ARG 34 5.341 -2.205 -3.488 226 2HD ARG 34 1HD ARG 34 3.640 -2.004 -3.070 227 HE ARG 34 HE ARG 34 3.905 0.252 -3.252 228 1HH1 ARG 34 1HH1 ARG 34 7.086 -1.182 -2.918 229 2HH1 ARG 34 2HH1 ARG 34 7.922 0.324 -3.098 230 1HH2 ARG 34 1HH2 ARG 34 4.989 2.228 -3.478 231 2HH2 ARG 34 2HH2 ARG 34 6.726 2.273 -3.426 232 HA PRO 35 HA PRO 35 2.345 -8.090 -1.051 233 1HB PRO 35 2HB PRO 35 4.990 -8.768 -2.219 234 2HB PRO 35 1HB PRO 35 3.397 -9.448 -2.568 235 1HG PRO 35 2HG PRO 35 4.592 -7.774 -4.274 236 2HG PRO 35 1HG PRO 35 2.838 -7.739 -4.019 237 1HD PRO 35 2HD PRO 35 4.936 -5.870 -3.020 238 2HD PRO 35 1HD PRO 35 3.269 -5.534 -3.524 239 H LYS 36 H LYS 36 2.814 -9.396 0.672 240 HA LYS 36 HA LYS 36 4.796 -8.445 2.524 241 1HB LYS 36 2HB LYS 36 2.489 -9.303 3.149 242 2HB LYS 36 1HB LYS 36 3.076 -10.918 2.780 243 1HG LYS 36 2HG LYS 36 3.156 -10.522 5.156 244 2HG LYS 36 1HG LYS 36 4.794 -10.676 4.516 245 1HD LYS 36 2HD LYS 36 5.072 -8.275 4.551 246 2HD LYS 36 1HD LYS 36 3.395 -8.057 5.059 247 1HE LYS 36 2HE LYS 36 4.926 -7.834 6.946 248 2HE LYS 36 1HE LYS 36 3.868 -9.229 7.145 249 1HZ LYS 36 1HZ LYS 36 6.125 -9.783 7.743 250 2HZ LYS 36 2HZ LYS 36 6.690 -9.302 6.223 251 3HZ LYS 36 3HZ LYS 36 5.674 -10.648 6.360 252 H GLY 37 H GLY 37 6.424 -8.905 0.807 253 1HA GLY 37 2HA GLY 37 8.422 -10.469 1.394 254 2HA GLY 37 1HA GLY 37 7.327 -11.691 0.750 255 H TRP 38 H TRP 38 7.884 -8.361 -0.246 256 HA TRP 38 HA TRP 38 7.976 -9.090 -3.006 257 1HB TRP 38 2HB TRP 38 8.198 -6.744 -3.459 258 2HB TRP 38 1HB TRP 38 7.052 -6.922 -2.139 259 HD1 TRP 38 HD TRP 38 10.778 -5.978 -2.664 260 HE1 TRP 38 1HE TRP 38 11.448 -4.312 -0.826 261 HE3 TRP 38 3HE TRP 38 6.439 -5.957 0.042 262 HZ2 TRP 38 2HZ TRP 38 10.295 -3.139 1.464 263 HZ3 TRP 38 3HZ TRP 38 6.307 -4.534 2.043 264 HH2 TRP 38 HH TRP 38 8.195 -3.154 2.739 Start of MODEL 15 1 1H LYS 1 1HT LYS 1 -12.937 -4.799 -1.973 2 2H LYS 1 2HT LYS 1 -13.489 -5.495 -0.534 3 H LYS 1 H LYS 1 -12.806 -5.723 -0.372 4 3H LYS 1 3HT LYS 1 -11.829 -5.372 -0.831 5 HA LYS 1 HA LYS 1 -12.889 -2.812 -1.056 6 1HB LYS 1 2HB LYS 1 -14.658 -4.167 0.409 7 2HB LYS 1 1HB LYS 1 -13.481 -3.882 1.680 8 1HG LYS 1 2HG LYS 1 -14.783 -1.731 0.016 9 2HG LYS 1 1HG LYS 1 -15.281 -2.205 1.639 10 1HD LYS 1 2HD LYS 1 -13.153 -1.514 2.539 11 2HD LYS 1 1HD LYS 1 -12.544 -1.169 0.920 12 1HE LYS 1 2HE LYS 1 -14.347 0.544 0.696 13 2HE LYS 1 1HE LYS 1 -14.741 0.271 2.394 14 1HZ LYS 1 1HZ LYS 1 -13.141 2.164 1.800 15 2HZ LYS 1 2HZ LYS 1 -11.988 0.942 1.572 16 3HZ LYS 1 3HZ LYS 1 -12.722 1.143 3.083 17 H CYS 2 H CYS 2 -10.473 -3.573 -1.430 18 HA CYS 2 HA CYS 2 -8.935 -2.385 0.673 19 1HB CYS 2 2HB CYS 2 -7.424 -4.395 0.927 20 2HB CYS 2 1HB CYS 2 -9.010 -4.567 1.666 21 H LEU 3 H LEU 3 -6.683 -2.197 0.046 22 HA LEU 3 HA LEU 3 -6.475 -1.574 -2.751 23 1HB LEU 3 2HB LEU 3 -4.475 -1.382 -0.501 24 2HB LEU 3 1HB LEU 3 -4.276 -0.690 -2.093 25 HG LEU 3 HG LEU 3 -6.425 0.077 -0.129 26 1HD1 LEU 3 1HD1 LEU 3 -4.236 1.883 -1.023 27 2HD1 LEU 3 2HD1 LEU 3 -3.930 0.714 0.262 28 3HD1 LEU 3 3HD1 LEU 3 -5.201 1.922 0.452 29 1HD2 LEU 3 1HD2 LEU 3 -5.682 1.444 -2.705 30 2HD2 LEU 3 2HD2 LEU 3 -7.065 1.772 -1.661 31 3HD2 LEU 3 3HD2 LEU 3 -6.989 0.267 -2.578 32 H ALA 4 H ALA 4 -5.331 -2.652 -4.298 33 HA ALA 4 HA ALA 4 -4.638 -5.377 -3.753 34 1HB ALA 4 1HB ALA 4 -3.953 -4.151 -6.361 35 2HB ALA 4 2HB ALA 4 -5.656 -4.215 -5.902 36 3HB ALA 4 3HB ALA 4 -4.710 -5.701 -5.996 37 H GLU 5 H GLU 5 -2.573 -5.958 -5.382 38 HA GLU 5 HA GLU 5 -0.321 -5.344 -3.778 39 1HB GLU 5 2HB GLU 5 -0.700 -7.513 -4.951 40 2HB GLU 5 1HB GLU 5 -0.399 -6.696 -6.479 41 1HG GLU 5 2HG GLU 5 1.865 -6.195 -5.806 42 2HG GLU 5 1HG GLU 5 1.574 -6.899 -4.216 43 H ALA 6 H ALA 6 1.242 -3.937 -4.054 44 HA ALA 6 HA ALA 6 2.397 -2.117 -4.749 45 1HB ALA 6 1HB ALA 6 2.295 -3.877 -6.954 46 2HB ALA 6 2HB ALA 6 3.480 -2.613 -6.626 47 3HB ALA 6 3HB ALA 6 2.046 -2.249 -7.585 48 H ALA 7 H ALA 7 -0.235 -1.703 -4.022 49 HA ALA 7 HA ALA 7 -1.206 0.287 -5.972 50 1HB ALA 7 1HB ALA 7 -2.575 -1.695 -4.607 51 2HB ALA 7 2HB ALA 7 -3.286 -0.338 -5.480 52 3HB ALA 7 3HB ALA 7 -2.992 -0.213 -3.745 53 H ASP 8 H ASP 8 -1.647 2.418 -5.338 54 HA ASP 8 HA ASP 8 0.040 3.463 -3.326 55 1HB ASP 8 2HB ASP 8 -0.923 5.621 -3.840 56 2HB ASP 8 1HB ASP 8 -0.655 4.739 -5.338 57 H CYS 9 H CYS 9 -0.505 4.526 -1.379 58 HA CYS 9 HA CYS 9 -3.146 4.242 -0.263 59 1HB CYS 9 2HB CYS 9 -2.290 2.923 1.726 60 2HB CYS 9 1HB CYS 9 -2.441 2.018 0.226 61 H SER 10 H SER 10 -2.804 4.691 2.297 62 HA SER 10 HA SER 10 -0.759 6.627 2.873 63 1HB SER 10 2HB SER 10 -3.652 7.490 2.582 64 2HB SER 10 1HB SER 10 -2.411 8.449 3.388 65 HG SER 10 HG SER 10 -1.768 7.550 0.846 66 HA PRO 11 HA PRO 11 -1.160 5.029 6.919 67 1HB PRO 11 2HB PRO 11 -1.010 7.485 8.292 68 2HB PRO 11 1HB PRO 11 0.336 6.425 7.868 69 1HG PRO 11 2HG PRO 11 -0.664 8.864 6.487 70 2HG PRO 11 1HG PRO 11 0.989 8.246 6.625 71 1HD PRO 11 2HD PRO 11 -0.386 8.028 4.350 72 2HD PRO 11 1HD PRO 11 0.710 6.740 4.895 73 H TRP 12 H TRP 12 -3.155 7.888 6.206 74 HA TRP 12 HA TRP 12 -5.269 6.676 7.854 75 1HB TRP 12 2HB TRP 12 -4.682 9.640 7.655 76 2HB TRP 12 1HB TRP 12 -6.005 8.910 8.556 77 HD1 TRP 12 HD TRP 12 -5.293 7.459 10.773 78 HE1 TRP 12 1HE TRP 12 -3.292 7.757 12.365 79 HE3 TRP 12 3HE TRP 12 -2.301 10.338 7.790 80 HZ2 TRP 12 2HZ TRP 12 -0.782 9.049 12.360 81 HZ3 TRP 12 3HZ TRP 12 -0.120 11.068 8.662 82 HH2 TRP 12 HH TRP 12 0.622 10.436 10.900 83 H SER 13 H SER 13 -4.619 9.081 5.320 84 HA SER 13 HA SER 13 -7.305 8.982 4.323 85 1HB SER 13 2HB SER 13 -4.897 10.191 2.960 86 2HB SER 13 1HB SER 13 -6.593 10.644 2.770 87 HG SER 13 HG SER 13 -5.936 12.111 4.187 88 H GLY 14 H GLY 14 -6.729 6.423 4.204 89 1HA GLY 14 2HA GLY 14 -6.746 5.843 1.388 90 2HA GLY 14 1HA GLY 14 -5.274 5.297 2.179 91 H ASP 15 H ASP 15 -7.250 3.640 0.914 92 HA ASP 15 HA ASP 15 -8.873 2.418 2.932 93 1HB ASP 15 2HB ASP 15 -9.105 2.361 0.281 94 2HB ASP 15 1HB ASP 15 -8.109 0.927 0.456 95 H SER 16 H SER 16 -8.636 0.003 3.353 96 HA SER 16 HA SER 16 -5.970 -0.425 4.354 97 1HB SER 16 2HB SER 16 -8.224 -2.412 4.401 98 2HB SER 16 1HB SER 16 -6.847 -2.314 5.492 99 HG SER 16 HG SER 16 -8.163 0.012 5.536 100 H CYS 17 H CYS 17 -4.510 -1.911 3.647 101 HA CYS 17 HA CYS 17 -4.674 -2.653 0.885 102 1HB CYS 17 2HB CYS 17 -2.636 -3.592 2.919 103 2HB CYS 17 1HB CYS 17 -2.454 -3.545 1.171 104 H CYS 18 H CYS 18 -4.952 -4.709 0.025 105 HA CYS 18 HA CYS 18 -6.516 -6.565 1.473 106 1HB CYS 18 2HB CYS 18 -4.942 -6.960 -1.089 107 2HB CYS 18 1HB CYS 18 -6.154 -8.069 -0.468 108 H LYS 19 H LYS 19 -5.958 -8.548 2.348 109 HA LYS 19 HA LYS 19 -3.313 -8.623 3.425 110 1HB LYS 19 2HB LYS 19 -4.144 -10.682 4.570 111 2HB LYS 19 1HB LYS 19 -5.106 -9.252 4.871 112 1HG LYS 19 2HG LYS 19 -6.731 -10.833 4.542 113 2HG LYS 19 1HG LYS 19 -6.571 -10.168 2.917 114 1HD LYS 19 2HD LYS 19 -5.030 -12.032 2.359 115 2HD LYS 19 1HD LYS 19 -5.331 -12.716 3.957 116 1HE LYS 19 2HE LYS 19 -7.683 -12.969 3.439 117 2HE LYS 19 1HE LYS 19 -7.448 -12.189 1.876 118 1HZ LYS 19 1HZ LYS 19 -5.967 -14.017 1.253 119 2HZ LYS 19 2HZ LYS 19 -7.523 -14.570 1.617 120 3HZ LYS 19 3HZ LYS 19 -6.271 -14.777 2.734 121 HA PRO 20 HA PRO 20 -1.935 -9.650 4.154 122 1HB PRO 20 2HB PRO 20 0.426 -10.889 4.158 123 2HB PRO 20 1HB PRO 20 -1.072 -11.784 4.439 124 1HG PRO 20 2HG PRO 20 0.702 -11.797 2.081 125 2HG PRO 20 1HG PRO 20 -0.471 -13.014 2.611 126 1HD PRO 20 2HD PRO 20 -0.800 -10.901 0.636 127 2HD PRO 20 1HD PRO 20 -1.906 -12.234 1.034 128 H TYR 21 H TYR 21 -1.745 -8.061 1.655 129 HA TYR 21 HA TYR 21 0.999 -7.222 1.406 130 1HB TYR 21 2HB TYR 21 -1.468 -5.795 0.379 131 2HB TYR 21 1HB TYR 21 0.192 -5.572 -0.155 132 HD1 TYR 21 1HD TYR 21 -2.822 -7.548 -0.546 133 HD2 TYR 21 2HD TYR 21 1.338 -7.383 -1.395 134 HE1 TYR 21 1HE TYR 21 -3.112 -9.272 -2.279 135 HE2 TYR 21 2HE TYR 21 1.062 -9.097 -3.124 136 HH TYR 21 HH TYR 21 -0.479 -10.137 -4.444 137 H LEU 22 H LEU 22 1.913 -5.313 2.076 138 HA LEU 22 HA LEU 22 0.447 -3.904 4.208 139 1HB LEU 22 2HB LEU 22 2.221 -5.289 5.109 140 2HB LEU 22 1HB LEU 22 3.381 -4.569 4.012 141 HG LEU 22 HG LEU 22 3.035 -2.382 5.170 142 1HD1 LEU 22 1HD1 LEU 22 1.506 -2.068 6.763 143 2HD1 LEU 22 2HD1 LEU 22 1.902 -3.588 7.564 144 3HD1 LEU 22 3HD1 LEU 22 0.786 -3.577 6.200 145 1HD2 LEU 22 1HD2 LEU 22 3.834 -4.451 7.181 146 2HD2 LEU 22 2HD2 LEU 22 4.528 -2.857 6.885 147 3HD2 LEU 22 3HD2 LEU 22 4.805 -4.166 5.737 148 H CYS 23 H CYS 23 0.438 -1.728 4.210 149 HA CYS 23 HA CYS 23 1.170 -0.323 1.836 150 1HB CYS 23 2HB CYS 23 -0.806 0.292 3.155 151 2HB CYS 23 1HB CYS 23 0.218 0.692 4.527 152 H SER 24 H SER 24 3.187 0.272 1.379 153 HA SER 24 HA SER 24 5.078 0.651 3.568 154 1HB SER 24 2HB SER 24 6.826 0.562 1.829 155 2HB SER 24 1HB SER 24 5.780 -0.854 1.770 156 HG SER 24 HG SER 24 4.617 0.280 0.067 157 H CYS 25 H CYS 25 5.754 2.558 4.203 158 HA CYS 25 HA CYS 25 5.227 4.907 2.516 159 1HB CYS 25 2HB CYS 25 5.211 4.668 5.537 160 2HB CYS 25 1HB CYS 25 5.135 6.198 4.671 161 H ILE 26 H ILE 26 7.337 4.168 1.654 162 HA ILE 26 HA ILE 26 9.711 4.303 3.182 163 HB ILE 26 HB ILE 26 10.845 4.430 0.924 164 1HG1 ILE 26 2HG1 ILE 26 8.001 4.063 -0.057 165 2HG1 ILE 26 1HG1 ILE 26 8.963 5.522 -0.271 166 1HG2 ILE 26 1HG2 ILE 26 10.569 2.340 2.058 167 2HG2 ILE 26 2HG2 ILE 26 10.198 2.099 0.352 168 3HG2 ILE 26 3HG2 ILE 26 8.891 2.220 1.529 169 1HD1 ILE 26 1HD1 ILE 26 9.983 4.690 -2.056 170 2HD1 ILE 26 2HD1 ILE 26 8.769 3.411 -2.028 171 3HD1 ILE 26 3HD1 ILE 26 10.331 3.163 -1.247 172 H PHE 27 H PHE 27 8.491 6.601 3.884 173 HA PHE 27 HA PHE 27 8.828 8.806 4.224 174 1HB PHE 27 2HB PHE 27 11.490 8.046 3.053 175 2HB PHE 27 1HB PHE 27 11.146 9.691 3.565 176 HD1 PHE 27 1HD PHE 27 12.120 10.199 5.565 177 HD2 PHE 27 2HD PHE 27 10.516 6.296 5.014 178 HE1 PHE 27 1HE PHE 27 12.753 9.617 7.869 179 HE2 PHE 27 2HE PHE 27 11.143 5.709 7.318 180 HZ PHE 27 HZ PHE 27 12.263 7.371 8.750 181 H PHE 28 H PHE 28 7.714 7.877 1.579 182 HA PHE 28 HA PHE 28 7.855 10.500 0.310 183 1HB PHE 28 2HB PHE 28 8.353 7.897 -1.111 184 2HB PHE 28 1HB PHE 28 7.799 9.325 -1.962 185 HD1 PHE 28 1HD PHE 28 9.278 11.047 -2.557 186 HD2 PHE 28 2HD PHE 28 10.591 7.930 0.023 187 HE1 PHE 28 1HE PHE 28 11.602 11.809 -2.824 188 HE2 PHE 28 2HE PHE 28 12.916 8.690 -0.235 189 HZ PHE 28 HZ PHE 28 13.424 10.632 -1.659 190 H TYR 29 H TYR 29 5.959 11.221 -0.272 191 HA TYR 29 HA TYR 29 3.627 9.514 0.097 192 1HB TYR 29 2HB TYR 29 3.960 11.936 1.050 193 2HB TYR 29 1HB TYR 29 3.477 12.439 -0.567 194 HD1 TYR 29 1HD TYR 29 2.321 9.881 1.906 195 HD2 TYR 29 2HD TYR 29 1.259 13.060 -0.715 196 HE1 TYR 29 1HE TYR 29 -0.038 9.604 2.537 197 HE2 TYR 29 2HE TYR 29 -1.105 12.793 -0.089 198 HH TYR 29 HH TYR 29 -2.331 10.139 1.359 199 HA PRO 30 HA PRO 30 1.789 9.124 -0.426 200 1HB PRO 30 2HB PRO 30 0.187 7.496 -1.801 201 2HB PRO 30 1HB PRO 30 -0.014 9.251 -1.880 202 1HG PRO 30 2HG PRO 30 1.185 7.390 -3.869 203 2HG PRO 30 1HG PRO 30 0.244 8.866 -4.135 204 1HD PRO 30 2HD PRO 30 3.049 8.630 -4.219 205 2HD PRO 30 1HD PRO 30 2.119 10.140 -4.177 206 H CYS 31 H CYS 31 1.316 6.903 0.380 207 HA CYS 31 HA CYS 31 3.672 5.258 0.197 208 1HB CYS 31 2HB CYS 31 1.081 4.734 1.673 209 2HB CYS 31 1HB CYS 31 2.627 3.941 1.951 210 H SER 32 H SER 32 3.055 2.703 0.126 211 HA SER 32 HA SER 32 0.943 2.156 -1.764 212 1HB SER 32 2HB SER 32 2.614 1.063 -3.381 213 2HB SER 32 1HB SER 32 2.489 2.823 -3.402 214 HG SER 32 HG SER 32 4.314 2.717 -1.832 215 H CYS 33 H CYS 33 0.105 0.211 -1.403 216 HA CYS 33 HA CYS 33 1.206 -1.551 0.544 217 1HB CYS 33 2HB CYS 33 -0.954 -2.279 -1.441 218 2HB CYS 33 1HB CYS 33 -0.708 -2.919 0.176 219 H ARG 34 H ARG 34 2.664 -3.058 0.247 220 HA ARG 34 HA ARG 34 3.206 -4.026 -2.488 221 1HB ARG 34 2HB ARG 34 5.160 -3.758 -0.192 222 2HB ARG 34 1HB ARG 34 5.541 -4.293 -1.820 223 1HG ARG 34 2HG ARG 34 4.506 -1.554 -1.125 224 2HG ARG 34 1HG ARG 34 6.207 -1.959 -1.358 225 1HD ARG 34 2HD ARG 34 5.825 -2.545 -3.642 226 2HD ARG 34 1HD ARG 34 4.078 -2.407 -3.440 227 HE ARG 34 HE ARG 34 5.111 0.064 -2.780 228 1HH1 ARG 34 1HH1 ARG 34 5.127 -2.007 -5.604 229 2HH1 ARG 34 2HH1 ARG 34 5.154 -0.691 -6.728 230 1HH2 ARG 34 1HH2 ARG 34 5.137 1.799 -4.245 231 2HH2 ARG 34 2HH2 ARG 34 5.168 1.487 -5.953 232 HA PRO 35 HA PRO 35 2.446 -8.157 -1.188 233 1HB PRO 35 2HB PRO 35 4.652 -9.498 -2.165 234 2HB PRO 35 1HB PRO 35 3.226 -9.071 -3.113 235 1HG PRO 35 2HG PRO 35 5.876 -7.715 -2.956 236 2HG PRO 35 1HG PRO 35 4.811 -7.943 -4.353 237 1HD PRO 35 2HD PRO 35 5.000 -5.588 -3.048 238 2HD PRO 35 1HD PRO 35 3.488 -6.135 -3.794 239 H LYS 36 H LYS 36 2.905 -9.606 0.439 240 HA LYS 36 HA LYS 36 4.732 -8.669 2.443 241 1HB LYS 36 2HB LYS 36 2.471 -9.668 2.931 242 2HB LYS 36 1HB LYS 36 3.127 -11.229 2.455 243 1HG LYS 36 2HG LYS 36 4.938 -10.736 4.243 244 2HG LYS 36 1HG LYS 36 3.769 -9.563 4.850 245 1HD LYS 36 2HD LYS 36 3.468 -11.632 6.034 246 2HD LYS 36 1HD LYS 36 2.085 -11.392 4.963 247 1HE LYS 36 2HE LYS 36 3.034 -12.926 3.344 248 2HE LYS 36 1HE LYS 36 4.482 -13.112 4.333 249 1HZ LYS 36 1HZ LYS 36 2.025 -14.496 4.507 250 2HZ LYS 36 2HZ LYS 36 2.334 -13.706 5.971 251 3HZ LYS 36 3HZ LYS 36 3.471 -14.786 5.337 252 H GLY 37 H GLY 37 6.632 -8.923 1.099 253 1HA GLY 37 2HA GLY 37 8.521 -10.599 1.735 254 2HA GLY 37 1HA GLY 37 7.562 -11.679 0.730 255 H TRP 38 H TRP 38 8.131 -8.242 0.292 256 HA TRP 38 HA TRP 38 9.170 -8.769 -2.386 257 1HB TRP 38 2HB TRP 38 7.283 -7.131 -2.010 258 2HB TRP 38 1HB TRP 38 8.419 -6.116 -1.133 259 HD1 TRP 38 HD TRP 38 9.342 -4.229 -2.566 260 HE1 TRP 38 1HE TRP 38 9.834 -3.865 -5.065 261 HE3 TRP 38 3HE TRP 38 7.964 -8.821 -4.348 262 HZ2 TRP 38 2HZ TRP 38 9.654 -5.325 -7.474 263 HZ3 TRP 38 3HZ TRP 38 8.154 -9.254 -6.762 264 HH2 TRP 38 HH TRP 38 8.981 -7.540 -8.292 Start of MODEL 16 1 1H LYS 1 1HT LYS 1 -13.239 -4.767 1.814 2 2H LYS 1 2HT LYS 1 -13.607 -5.666 0.429 3 H LYS 1 H LYS 1 -13.694 -4.545 1.838 4 3H LYS 1 3HT LYS 1 -14.599 -4.374 0.884 5 HA LYS 1 HA LYS 1 -12.719 -4.185 -0.970 6 1HB LYS 1 2HB LYS 1 -12.788 -1.712 -0.479 7 2HB LYS 1 1HB LYS 1 -14.364 -2.480 -0.586 8 1HG LYS 1 2HG LYS 1 -14.893 -1.881 1.487 9 2HG LYS 1 1HG LYS 1 -13.366 -2.487 2.129 10 1HD LYS 1 2HD LYS 1 -13.529 -0.125 2.577 11 2HD LYS 1 1HD LYS 1 -12.268 -0.399 1.377 12 1HE LYS 1 2HE LYS 1 -13.920 0.180 -0.396 13 2HE LYS 1 1HE LYS 1 -15.070 0.596 0.874 14 1HZ LYS 1 1HZ LYS 1 -13.390 2.221 1.692 15 2HZ LYS 1 2HZ LYS 1 -13.999 2.585 0.157 16 3HZ LYS 1 3HZ LYS 1 -12.456 1.897 0.317 17 H CYS 2 H CYS 2 -10.569 -3.858 -1.190 18 HA CYS 2 HA CYS 2 -8.926 -2.872 0.935 19 1HB CYS 2 2HB CYS 2 -7.489 -4.894 1.094 20 2HB CYS 2 1HB CYS 2 -9.098 -5.132 1.755 21 H LEU 3 H LEU 3 -6.778 -2.530 0.278 22 HA LEU 3 HA LEU 3 -6.574 -1.922 -2.533 23 1HB LEU 3 2HB LEU 3 -4.642 -1.515 -0.256 24 2HB LEU 3 1HB LEU 3 -4.469 -0.845 -1.861 25 HG LEU 3 HG LEU 3 -6.705 -0.213 0.056 26 1HD1 LEU 3 1HD1 LEU 3 -5.563 1.573 0.779 27 2HD1 LEU 3 2HD1 LEU 3 -4.854 1.892 -0.804 28 3HD1 LEU 3 3HD1 LEU 3 -4.153 0.659 0.244 29 1HD2 LEU 3 1HD2 LEU 3 -6.597 0.037 -2.740 30 2HD2 LEU 3 2HD2 LEU 3 -6.363 1.660 -2.088 31 3HD2 LEU 3 3HD2 LEU 3 -7.790 0.726 -1.638 32 H ALA 4 H ALA 4 -5.430 -3.012 -4.041 33 HA ALA 4 HA ALA 4 -4.334 -5.576 -3.345 34 1HB ALA 4 1HB ALA 4 -4.095 -5.939 -5.686 35 2HB ALA 4 2HB ALA 4 -4.228 -4.214 -6.027 36 3HB ALA 4 3HB ALA 4 -5.629 -5.107 -5.435 37 H GLU 5 H GLU 5 -2.227 -5.862 -5.106 38 HA GLU 5 HA GLU 5 -0.118 -4.687 -3.589 39 1HB GLU 5 2HB GLU 5 1.312 -5.909 -5.350 40 2HB GLU 5 1HB GLU 5 0.372 -6.857 -4.209 41 1HG GLU 5 2HG GLU 5 -1.405 -7.005 -5.993 42 2HG GLU 5 1HG GLU 5 -0.210 -6.333 -7.105 43 H ALA 6 H ALA 6 1.255 -3.175 -4.102 44 HA ALA 6 HA ALA 6 2.136 -1.309 -5.014 45 1HB ALA 6 1HB ALA 6 1.324 -1.618 -7.773 46 2HB ALA 6 2HB ALA 6 2.012 -3.112 -7.139 47 3HB ALA 6 3HB ALA 6 2.942 -1.615 -7.072 48 H ALA 7 H ALA 7 -0.418 -1.223 -3.910 49 HA ALA 7 HA ALA 7 -1.825 0.663 -5.687 50 1HB ALA 7 1HB ALA 7 -2.778 -1.524 -4.215 51 2HB ALA 7 2HB ALA 7 -3.716 -0.345 -5.131 52 3HB ALA 7 3HB ALA 7 -3.402 -0.081 -3.416 53 H ASP 8 H ASP 8 -2.286 2.708 -5.053 54 HA ASP 8 HA ASP 8 -0.722 3.997 -3.134 55 1HB ASP 8 2HB ASP 8 -1.715 5.225 -4.974 56 2HB ASP 8 1HB ASP 8 -3.335 4.846 -4.403 57 H CYS 9 H CYS 9 -1.080 4.650 -1.025 58 HA CYS 9 HA CYS 9 -3.627 4.147 0.250 59 1HB CYS 9 2HB CYS 9 -2.620 2.659 1.993 60 2HB CYS 9 1HB CYS 9 -2.727 1.927 0.397 61 H SER 10 H SER 10 -3.203 4.362 2.770 62 HA SER 10 HA SER 10 -1.201 6.307 3.485 63 1HB SER 10 2HB SER 10 -4.149 7.017 3.465 64 2HB SER 10 1HB SER 10 -2.920 7.937 4.333 65 HG SER 10 HG SER 10 -2.401 7.423 1.651 66 HA PRO 11 HA PRO 11 -1.250 4.149 7.284 67 1HB PRO 11 2HB PRO 11 -1.105 6.387 8.982 68 2HB PRO 11 1HB PRO 11 0.251 5.481 8.311 69 1HG PRO 11 2HG PRO 11 -0.982 8.022 7.368 70 2HG PRO 11 1HG PRO 11 0.711 7.506 7.317 71 1HD PRO 11 2HD PRO 11 -0.789 7.508 5.119 72 2HD PRO 11 1HD PRO 11 0.398 6.219 5.418 73 H TRP 12 H TRP 12 -3.420 6.976 7.147 74 HA TRP 12 HA TRP 12 -5.347 5.403 8.715 75 1HB TRP 12 2HB TRP 12 -4.827 8.368 9.019 76 2HB TRP 12 1HB TRP 12 -6.119 7.480 9.816 77 HD1 TRP 12 HD TRP 12 -5.337 5.661 11.712 78 HE1 TRP 12 1HE TRP 12 -3.286 5.677 13.266 79 HE3 TRP 12 3HE TRP 12 -2.440 9.046 9.202 80 HZ2 TRP 12 2HZ TRP 12 -0.777 6.960 13.414 81 HZ3 TRP 12 3HZ TRP 12 -0.230 9.617 10.122 82 HH2 TRP 12 HH TRP 12 0.582 8.595 12.183 83 H SER 13 H SER 13 -5.011 8.260 6.629 84 HA SER 13 HA SER 13 -7.762 8.196 5.839 85 1HB SER 13 2HB SER 13 -5.509 9.742 4.550 86 2HB SER 13 1HB SER 13 -7.231 10.122 4.519 87 HG SER 13 HG SER 13 -6.933 11.179 6.296 88 H GLY 14 H GLY 14 -7.169 5.732 5.213 89 1HA GLY 14 2HA GLY 14 -7.446 5.634 2.375 90 2HA GLY 14 1HA GLY 14 -5.840 5.115 2.867 91 H ASP 15 H ASP 15 -7.861 3.558 1.560 92 HA ASP 15 HA ASP 15 -9.226 1.829 3.307 93 1HB ASP 15 2HB ASP 15 -8.399 1.698 0.438 94 2HB ASP 15 1HB ASP 15 -8.950 0.222 1.220 95 H SER 16 H SER 16 -8.761 -0.416 3.756 96 HA SER 16 HA SER 16 -6.031 -0.783 4.566 97 1HB SER 16 2HB SER 16 -8.172 -2.885 4.701 98 2HB SER 16 1HB SER 16 -6.792 -2.655 5.772 99 HG SER 16 HG SER 16 -8.064 -0.443 5.999 100 H CYS 17 H CYS 17 -4.570 -2.224 3.745 101 HA CYS 17 HA CYS 17 -4.902 -2.957 0.992 102 1HB CYS 17 2HB CYS 17 -2.664 -3.866 2.804 103 2HB CYS 17 1HB CYS 17 -2.627 -3.642 1.061 104 H CYS 18 H CYS 18 -5.055 -5.037 0.136 105 HA CYS 18 HA CYS 18 -6.456 -6.995 1.618 106 1HB CYS 18 2HB CYS 18 -4.920 -7.379 -0.967 107 2HB CYS 18 1HB CYS 18 -6.195 -8.415 -0.345 108 H LYS 19 H LYS 19 -5.761 -9.000 2.347 109 HA LYS 19 HA LYS 19 -3.076 -8.989 3.354 110 1HB LYS 19 2HB LYS 19 -3.766 -11.133 4.407 111 2HB LYS 19 1HB LYS 19 -4.816 -9.787 4.799 112 1HG LYS 19 2HG LYS 19 -6.435 -10.574 3.147 113 2HG LYS 19 1HG LYS 19 -5.376 -11.929 2.758 114 1HD LYS 19 2HD LYS 19 -6.520 -11.391 5.491 115 2HD LYS 19 1HD LYS 19 -7.228 -12.503 4.319 116 1HE LYS 19 2HE LYS 19 -5.145 -13.806 4.323 117 2HE LYS 19 1HE LYS 19 -4.467 -12.703 5.520 118 1HZ LYS 19 1HZ LYS 19 -5.262 -14.545 6.711 119 2HZ LYS 19 2HZ LYS 19 -6.720 -14.593 5.855 120 3HZ LYS 19 3HZ LYS 19 -6.425 -13.339 6.951 121 HA PRO 20 HA PRO 20 -1.630 -9.993 3.955 122 1HB PRO 20 2HB PRO 20 0.793 -11.090 3.784 123 2HB PRO 20 1HB PRO 20 -0.634 -12.087 4.087 124 1HG PRO 20 2HG PRO 20 1.011 -11.861 1.646 125 2HG PRO 20 1HG PRO 20 -0.041 -13.185 2.174 126 1HD PRO 20 2HD PRO 20 -0.630 -11.034 0.317 127 2HD PRO 20 1HD PRO 20 -1.632 -12.438 0.741 128 H TYR 21 H TYR 21 -1.630 -8.347 1.447 129 HA TYR 21 HA TYR 21 1.040 -7.305 1.147 130 1HB TYR 21 2HB TYR 21 -1.509 -5.903 0.287 131 2HB TYR 21 1HB TYR 21 0.114 -5.696 -0.357 132 HD1 TYR 21 1HD TYR 21 -2.921 -7.706 -0.483 133 HD2 TYR 21 2HD TYR 21 1.109 -7.423 -1.799 134 HE1 TYR 21 1HE TYR 21 -3.377 -9.387 -2.220 135 HE2 TYR 21 2HE TYR 21 0.667 -9.098 -3.540 136 HH TYR 21 HH TYR 21 -1.216 -9.996 -4.801 137 H LEU 22 H LEU 22 1.708 -5.138 1.706 138 HA LEU 22 HA LEU 22 0.224 -3.997 3.975 139 1HB LEU 22 2HB LEU 22 1.998 -5.389 4.872 140 2HB LEU 22 1HB LEU 22 3.180 -4.580 3.862 141 HG LEU 22 HG LEU 22 2.723 -2.467 5.117 142 1HD1 LEU 22 1HD1 LEU 22 1.642 -2.906 7.416 143 2HD1 LEU 22 2HD1 LEU 22 0.911 -4.307 6.632 144 3HD1 LEU 22 3HD1 LEU 22 0.593 -2.686 6.016 145 1HD2 LEU 22 1HD2 LEU 22 3.525 -3.942 7.380 146 2HD2 LEU 22 2HD2 LEU 22 4.543 -3.096 6.215 147 3HD2 LEU 22 3HD2 LEU 22 4.142 -4.796 5.965 148 H CYS 23 H CYS 23 0.195 -1.822 4.116 149 HA CYS 23 HA CYS 23 0.895 -0.265 1.843 150 1HB CYS 23 2HB CYS 23 -1.036 0.257 3.292 151 2HB CYS 23 1HB CYS 23 0.059 0.610 4.622 152 H SER 24 H SER 24 2.855 0.536 1.372 153 HA SER 24 HA SER 24 4.801 0.694 3.551 154 1HB SER 24 2HB SER 24 6.528 0.709 1.782 155 2HB SER 24 1HB SER 24 5.488 -0.710 1.682 156 HG SER 24 HG SER 24 4.301 0.453 0.037 157 H CYS 25 H CYS 25 5.427 2.531 4.332 158 HA CYS 25 HA CYS 25 5.050 5.004 2.772 159 1HB CYS 25 2HB CYS 25 4.708 4.496 5.735 160 2HB CYS 25 1HB CYS 25 4.932 6.114 5.083 161 H ILE 26 H ILE 26 7.294 3.824 2.233 162 HA ILE 26 HA ILE 26 9.426 4.149 4.078 163 HB ILE 26 HB ILE 26 10.883 3.763 2.047 164 1HG1 ILE 26 2HG1 ILE 26 8.196 3.313 0.722 165 2HG1 ILE 26 1HG1 ILE 26 9.279 4.657 0.377 166 1HG2 ILE 26 1HG2 ILE 26 9.051 1.507 1.979 167 2HG2 ILE 26 2HG2 ILE 26 9.407 2.060 3.616 168 3HG2 ILE 26 3HG2 ILE 26 10.722 1.597 2.535 169 1HD1 ILE 26 1HD1 ILE 26 9.232 2.543 -1.152 170 2HD1 ILE 26 2HD1 ILE 26 10.294 1.876 0.086 171 3HD1 ILE 26 3HD1 ILE 26 10.758 3.344 -0.774 172 H PHE 27 H PHE 27 8.244 6.589 4.076 173 HA PHE 27 HA PHE 27 8.669 8.807 3.996 174 1HB PHE 27 2HB PHE 27 11.430 7.727 3.492 175 2HB PHE 27 1HB PHE 27 11.120 9.454 3.562 176 HD1 PHE 27 1HD PHE 27 11.823 10.365 5.533 177 HD2 PHE 27 2HD PHE 27 10.015 6.514 5.597 178 HE1 PHE 27 1HE PHE 27 12.043 10.307 7.982 179 HE2 PHE 27 2HE PHE 27 10.229 6.450 8.046 180 HZ PHE 27 HZ PHE 27 11.244 8.349 9.243 181 H PHE 28 H PHE 28 8.033 7.250 1.468 182 HA PHE 28 HA PHE 28 8.752 9.397 -0.409 183 1HB PHE 28 2HB PHE 28 8.556 6.444 -0.869 184 2HB PHE 28 1HB PHE 28 8.282 7.559 -2.189 185 HD1 PHE 28 1HD PHE 28 10.803 7.594 0.571 186 HD2 PHE 28 2HD PHE 28 10.064 7.407 -3.614 187 HE1 PHE 28 1HE PHE 28 13.222 7.706 0.143 188 HE2 PHE 28 2HE PHE 28 12.482 7.517 -4.050 189 HZ PHE 28 HZ PHE 28 14.065 7.667 -2.170 190 H TYR 29 H TYR 29 7.142 10.383 -1.361 191 HA TYR 29 HA TYR 29 4.424 9.596 -0.683 192 1HB TYR 29 2HB TYR 29 5.161 11.954 -0.351 193 2HB TYR 29 1HB TYR 29 5.408 12.093 -2.088 194 HD1 TYR 29 1HD TYR 29 2.702 10.991 0.254 195 HD2 TYR 29 2HD TYR 29 3.732 13.141 -3.270 196 HE1 TYR 29 1HE TYR 29 0.349 11.645 -0.027 197 HE2 TYR 29 2HE TYR 29 1.381 13.803 -3.559 198 HH TYR 29 HH TYR 29 -1.143 12.341 -2.012 199 HA PRO 30 HA PRO 30 2.739 9.198 -1.040 200 1HB PRO 30 2HB PRO 30 0.683 7.810 -2.040 201 2HB PRO 30 1HB PRO 30 0.931 9.510 -2.453 202 1HG PRO 30 2HG PRO 30 1.311 7.105 -4.112 203 2HG PRO 30 1HG PRO 30 1.046 8.783 -4.610 204 1HD PRO 30 2HD PRO 30 3.544 7.333 -4.405 205 2HD PRO 30 1HD PRO 30 3.265 8.974 -5.022 206 H CYS 31 H CYS 31 1.575 7.267 0.071 207 HA CYS 31 HA CYS 31 3.483 5.116 0.310 208 1HB CYS 31 2HB CYS 31 0.805 5.526 1.659 209 2HB CYS 31 1HB CYS 31 1.958 4.268 2.067 210 H SER 32 H SER 32 2.970 2.872 -0.102 211 HA SER 32 HA SER 32 0.509 2.365 -1.564 212 1HB SER 32 2HB SER 32 1.970 1.254 -3.414 213 2HB SER 32 1HB SER 32 1.722 3.000 -3.442 214 HG SER 32 HG SER 32 3.752 3.177 -2.312 215 H CYS 33 H CYS 33 -0.248 0.342 -1.317 216 HA CYS 33 HA CYS 33 1.020 -1.414 0.526 217 1HB CYS 33 2HB CYS 33 -1.171 -2.244 -1.382 218 2HB CYS 33 1HB CYS 33 -0.817 -2.882 0.213 219 H ARG 34 H ARG 34 2.408 -2.985 0.159 220 HA ARG 34 HA ARG 34 2.996 -3.734 -2.634 221 1HB ARG 34 2HB ARG 34 4.915 -3.468 -0.305 222 2HB ARG 34 1HB ARG 34 5.345 -4.021 -1.917 223 1HG ARG 34 2HG ARG 34 4.228 -1.297 -1.298 224 2HG ARG 34 1HG ARG 34 5.947 -1.665 -1.463 225 1HD ARG 34 2HD ARG 34 5.716 -2.209 -3.740 226 2HD ARG 34 1HD ARG 34 3.959 -2.297 -3.622 227 HE ARG 34 HE ARG 34 4.630 0.291 -2.942 228 1HH1 ARG 34 1HH1 ARG 34 5.090 -1.768 -5.737 229 2HH1 ARG 34 2HH1 ARG 34 4.980 -0.467 -6.874 230 1HH2 ARG 34 1HH2 ARG 34 4.463 2.004 -4.424 231 2HH2 ARG 34 2HH2 ARG 34 4.627 1.691 -6.125 232 HA PRO 35 HA PRO 35 2.270 -7.951 -1.568 233 1HB PRO 35 2HB PRO 35 4.792 -8.626 -2.967 234 2HB PRO 35 1HB PRO 35 3.148 -9.185 -3.286 235 1HG PRO 35 2HG PRO 35 4.380 -7.428 -4.898 236 2HG PRO 35 1HG PRO 35 2.635 -7.356 -4.591 237 1HD PRO 35 2HD PRO 35 4.823 -5.646 -3.502 238 2HD PRO 35 1HD PRO 35 3.157 -5.215 -3.933 239 H LYS 36 H LYS 36 2.944 -9.422 0.009 240 HA LYS 36 HA LYS 36 4.990 -8.449 1.752 241 1HB LYS 36 2HB LYS 36 2.938 -9.441 2.656 242 2HB LYS 36 1HB LYS 36 3.351 -10.981 1.916 243 1HG LYS 36 2HG LYS 36 5.002 -11.432 3.441 244 2HG LYS 36 1HG LYS 36 5.287 -9.728 3.799 245 1HD LYS 36 2HD LYS 36 2.778 -11.207 4.576 246 2HD LYS 36 1HD LYS 36 4.175 -11.018 5.640 247 1HE LYS 36 2HE LYS 36 3.947 -8.620 5.590 248 2HE LYS 36 1HE LYS 36 2.659 -8.728 4.392 249 1HZ LYS 36 1HZ LYS 36 1.856 -10.295 6.515 250 2HZ LYS 36 2HZ LYS 36 1.243 -8.782 6.073 251 3HZ LYS 36 3HZ LYS 36 2.487 -8.889 7.214 252 H GLY 37 H GLY 37 7.036 -8.963 1.732 253 1HA GLY 37 2HA GLY 37 8.492 -11.121 1.635 254 2HA GLY 37 1HA GLY 37 7.955 -11.106 -0.043 255 H TRP 38 H TRP 38 7.883 -8.184 -0.095 256 HA TRP 38 HA TRP 38 10.674 -7.727 -0.720 257 1HB TRP 38 2HB TRP 38 8.147 -6.139 -1.187 258 2HB TRP 38 1HB TRP 38 9.739 -5.457 -1.492 259 HD1 TRP 38 HD TRP 38 10.627 -5.777 -3.856 260 HE1 TRP 38 1HE TRP 38 10.067 -7.295 -5.855 261 HE3 TRP 38 3HE TRP 38 7.107 -8.762 -1.655 262 HZ2 TRP 38 2HZ TRP 38 8.358 -9.466 -6.428 263 HZ3 TRP 38 3HZ TRP 38 6.057 -10.534 -3.000 264 HH2 TRP 38 HH TRP 38 6.670 -10.876 -5.338 Start of MODEL 17 1 1H LYS 1 1HT LYS 1 -13.198 -4.306 0.873 2 2H LYS 1 2HT LYS 1 -13.561 -5.288 -0.456 3 H LYS 1 H LYS 1 -13.521 -4.156 0.881 4 3H LYS 1 3HT LYS 1 -14.476 -3.896 -0.161 5 HA LYS 1 HA LYS 1 -12.440 -4.033 -1.887 6 1HB LYS 1 2HB LYS 1 -12.464 -1.525 -1.732 7 2HB LYS 1 1HB LYS 1 -14.058 -2.253 -1.861 8 1HG LYS 1 2HG LYS 1 -14.713 -1.332 0.049 9 2HG LYS 1 1HG LYS 1 -13.295 -1.941 0.902 10 1HD LYS 1 2HD LYS 1 -13.328 0.464 1.042 11 2HD LYS 1 1HD LYS 1 -11.990 -0.035 0.008 12 1HE LYS 1 2HE LYS 1 -13.396 0.435 -1.973 13 2HE LYS 1 1HE LYS 1 -14.671 1.013 -0.900 14 1HZ LYS 1 1HZ LYS 1 -11.999 2.201 -1.387 15 2HZ LYS 1 2HZ LYS 1 -12.921 2.618 -0.032 16 3HZ LYS 1 3HZ LYS 1 -13.522 2.921 -1.585 17 H CYS 2 H CYS 2 -10.269 -3.664 -1.964 18 HA CYS 2 HA CYS 2 -8.808 -2.553 0.235 19 1HB CYS 2 2HB CYS 2 -7.401 -4.580 0.618 20 2HB CYS 2 1HB CYS 2 -9.057 -4.758 1.177 21 H LEU 3 H LEU 3 -6.567 -2.335 -0.252 22 HA LEU 3 HA LEU 3 -6.145 -1.767 -3.035 23 1HB LEU 3 2HB LEU 3 -4.337 -1.500 -0.636 24 2HB LEU 3 1HB LEU 3 -4.013 -0.838 -2.224 25 HG LEU 3 HG LEU 3 -6.381 -0.076 -0.523 26 1HD1 LEU 3 1HD1 LEU 3 -4.023 1.677 -1.058 27 2HD1 LEU 3 2HD1 LEU 3 -4.026 0.553 0.301 28 3HD1 LEU 3 3HD1 LEU 3 -5.257 1.813 0.195 29 1HD2 LEU 3 1HD2 LEU 3 -5.265 1.113 -3.060 30 2HD2 LEU 3 2HD2 LEU 3 -6.593 1.782 -2.113 31 3HD2 LEU 3 3HD2 LEU 3 -6.774 0.214 -2.902 32 H ALA 4 H ALA 4 -4.902 -2.864 -4.474 33 HA ALA 4 HA ALA 4 -4.158 -5.553 -3.820 34 1HB ALA 4 1HB ALA 4 -4.556 -3.972 -6.222 35 2HB ALA 4 2HB ALA 4 -4.781 -5.700 -5.952 36 3HB ALA 4 3HB ALA 4 -3.182 -5.070 -6.348 37 H GLU 5 H GLU 5 -1.945 -6.043 -5.364 38 HA GLU 5 HA GLU 5 0.144 -5.245 -3.593 39 1HB GLU 5 2HB GLU 5 1.613 -6.518 -5.245 40 2HB GLU 5 1HB GLU 5 0.371 -7.435 -4.407 41 1HG GLU 5 2HG GLU 5 -0.134 -6.304 -7.130 42 2HG GLU 5 1HG GLU 5 0.733 -7.825 -6.921 43 H ALA 6 H ALA 6 1.599 -3.751 -3.777 44 HA ALA 6 HA ALA 6 2.733 -1.913 -4.450 45 1HB ALA 6 1HB ALA 6 3.946 -2.433 -6.236 46 2HB ALA 6 2HB ALA 6 2.588 -2.015 -7.280 47 3HB ALA 6 3HB ALA 6 2.772 -3.667 -6.693 48 H ALA 7 H ALA 7 0.009 -1.682 -3.901 49 HA ALA 7 HA ALA 7 -0.925 0.297 -5.876 50 1HB ALA 7 1HB ALA 7 -2.273 -1.776 -4.586 51 2HB ALA 7 2HB ALA 7 -2.983 -0.488 -5.560 52 3HB ALA 7 3HB ALA 7 -2.848 -0.300 -3.811 53 H ASP 8 H ASP 8 -1.368 2.415 -5.272 54 HA ASP 8 HA ASP 8 0.078 3.430 -3.071 55 1HB ASP 8 2HB ASP 8 -0.726 5.589 -3.696 56 2HB ASP 8 1HB ASP 8 -0.455 4.691 -5.183 57 H CYS 9 H CYS 9 -0.631 4.396 -1.160 58 HA CYS 9 HA CYS 9 -3.395 3.941 -0.357 59 1HB CYS 9 2HB CYS 9 -2.366 3.137 1.925 60 2HB CYS 9 1HB CYS 9 -2.658 2.004 0.617 61 H SER 10 H SER 10 -4.103 5.184 1.329 62 HA SER 10 HA SER 10 -2.740 7.707 1.587 63 1HB SER 10 2HB SER 10 -5.277 6.793 2.957 64 2HB SER 10 1HB SER 10 -4.742 8.455 2.692 65 HG SER 10 HG SER 10 -4.765 7.335 0.327 66 HA PRO 11 HA PRO 11 -0.470 6.591 5.225 67 1HB PRO 11 2HB PRO 11 0.205 9.105 6.008 68 2HB PRO 11 1HB PRO 11 0.967 8.280 4.641 69 1HG PRO 11 2HG PRO 11 -1.287 10.263 4.627 70 2HG PRO 11 1HG PRO 11 0.166 10.233 3.620 71 1HD PRO 11 2HD PRO 11 -2.156 9.328 2.686 72 2HD PRO 11 1HD PRO 11 -0.633 8.501 2.291 73 H TRP 12 H TRP 12 -2.698 9.366 5.597 74 HA TRP 12 HA TRP 12 -2.934 8.905 8.417 75 1HB TRP 12 2HB TRP 12 -4.516 10.749 6.617 76 2HB TRP 12 1HB TRP 12 -4.560 10.754 8.376 77 HD1 TRP 12 HD TRP 12 -2.237 11.532 9.628 78 HE1 TRP 12 1HE TRP 12 -0.443 13.210 8.861 79 HE3 TRP 12 3HE TRP 12 -3.356 11.695 4.642 80 HZ2 TRP 12 2HZ TRP 12 0.381 14.448 6.462 81 HZ3 TRP 12 3HZ TRP 12 -2.022 13.158 3.181 82 HH2 TRP 12 HH TRP 12 -0.192 14.505 4.074 83 H SER 13 H SER 13 -5.193 8.651 5.673 84 HA SER 13 HA SER 13 -6.490 6.380 6.874 85 1HB SER 13 2HB SER 13 -8.025 8.984 6.641 86 2HB SER 13 1HB SER 13 -8.749 7.417 6.988 87 HG SER 13 HG SER 13 -6.704 7.890 8.678 88 H GLY 14 H GLY 14 -7.416 5.128 5.359 89 1HA GLY 14 2HA GLY 14 -8.660 6.027 3.002 90 2HA GLY 14 1HA GLY 14 -6.997 5.584 2.632 91 H ASP 15 H ASP 15 -7.976 3.904 1.271 92 HA ASP 15 HA ASP 15 -9.502 1.806 2.444 93 1HB ASP 15 2HB ASP 15 -8.018 2.033 -0.162 94 2HB ASP 15 1HB ASP 15 -8.775 0.531 0.332 95 H SER 16 H SER 16 -8.885 -0.247 3.023 96 HA SER 16 HA SER 16 -6.216 -0.452 4.077 97 1HB SER 16 2HB SER 16 -8.330 -2.595 4.127 98 2HB SER 16 1HB SER 16 -6.982 -2.374 5.241 99 HG SER 16 HG SER 16 -8.375 -0.142 5.289 100 H CYS 17 H CYS 17 -4.675 -1.964 3.489 101 HA CYS 17 HA CYS 17 -4.681 -2.726 0.725 102 1HB CYS 17 2HB CYS 17 -2.728 -3.659 2.836 103 2HB CYS 17 1HB CYS 17 -2.457 -3.505 1.105 104 H CYS 18 H CYS 18 -4.861 -4.813 -0.125 105 HA CYS 18 HA CYS 18 -6.455 -6.681 1.274 106 1HB CYS 18 2HB CYS 18 -4.715 -7.153 -1.164 107 2HB CYS 18 1HB CYS 18 -6.007 -8.204 -0.599 108 H LYS 19 H LYS 19 -5.869 -8.594 2.292 109 HA LYS 19 HA LYS 19 -3.241 -8.555 3.436 110 1HB LYS 19 2HB LYS 19 -5.073 -10.884 3.768 111 2HB LYS 19 1HB LYS 19 -4.010 -10.126 4.933 112 1HG LYS 19 2HG LYS 19 -5.513 -8.250 5.162 113 2HG LYS 19 1HG LYS 19 -6.572 -8.921 3.921 114 1HD LYS 19 2HD LYS 19 -5.929 -10.222 6.566 115 2HD LYS 19 1HD LYS 19 -7.415 -9.351 6.186 116 1HE LYS 19 2HE LYS 19 -7.927 -10.974 4.435 117 2HE LYS 19 1HE LYS 19 -6.430 -11.836 4.787 118 1HZ LYS 19 1HZ LYS 19 -7.893 -11.541 7.167 119 2HZ LYS 19 2HZ LYS 19 -7.479 -12.966 6.357 120 3HZ LYS 19 3HZ LYS 19 -8.925 -12.172 5.984 121 HA PRO 20 HA PRO 20 -1.952 -9.602 4.276 122 1HB PRO 20 2HB PRO 20 0.445 -10.783 4.415 123 2HB PRO 20 1HB PRO 20 -1.046 -11.698 4.664 124 1HG PRO 20 2HG PRO 20 0.821 -11.747 2.381 125 2HG PRO 20 1HG PRO 20 -0.349 -12.970 2.902 126 1HD PRO 20 2HD PRO 20 -0.638 -10.943 0.843 127 2HD PRO 20 1HD PRO 20 -1.745 -12.269 1.257 128 H TYR 21 H TYR 21 -1.700 -8.034 1.788 129 HA TYR 21 HA TYR 21 1.043 -7.143 1.600 130 1HB TYR 21 2HB TYR 21 -1.399 -5.719 0.506 131 2HB TYR 21 1HB TYR 21 0.266 -5.576 -0.041 132 HD1 TYR 21 1HD TYR 21 -2.441 -6.388 -1.506 133 HD2 TYR 21 2HD TYR 21 0.949 -8.530 -0.085 134 HE1 TYR 21 1HE TYR 21 -2.848 -8.138 -3.185 135 HE2 TYR 21 2HE TYR 21 0.552 -10.283 -1.759 136 HH TYR 21 HH TYR 21 -1.446 -9.893 -4.397 137 H LEU 22 H LEU 22 1.909 -5.222 2.313 138 HA LEU 22 HA LEU 22 0.320 -3.814 4.358 139 1HB LEU 22 2HB LEU 22 2.049 -5.180 5.362 140 2HB LEU 22 1HB LEU 22 3.263 -4.461 4.324 141 HG LEU 22 HG LEU 22 2.846 -2.267 5.444 142 1HD1 LEU 22 1HD1 LEU 22 0.516 -3.206 6.257 143 2HD1 LEU 22 2HD1 LEU 22 1.392 -1.985 7.176 144 3HD1 LEU 22 3HD1 LEU 22 1.467 -3.678 7.664 145 1HD2 LEU 22 1HD2 LEU 22 4.488 -4.236 6.178 146 2HD2 LEU 22 2HD2 LEU 22 3.518 -4.125 7.646 147 3HD2 LEU 22 3HD2 LEU 22 4.382 -2.707 7.049 148 H CYS 23 H CYS 23 0.295 -1.634 4.350 149 HA CYS 23 HA CYS 23 1.137 -0.233 2.012 150 1HB CYS 23 2HB CYS 23 -0.902 0.382 3.247 151 2HB CYS 23 1HB CYS 23 0.069 0.809 4.650 152 H SER 24 H SER 24 3.114 0.547 1.628 153 HA SER 24 HA SER 24 4.910 0.927 3.914 154 1HB SER 24 2HB SER 24 6.750 0.782 2.265 155 2HB SER 24 1HB SER 24 5.725 -0.651 2.237 156 HG SER 24 HG SER 24 4.617 0.399 0.430 157 H CYS 25 H CYS 25 5.598 2.865 4.476 158 HA CYS 25 HA CYS 25 5.085 5.134 2.677 159 1HB CYS 25 2HB CYS 25 5.108 5.055 5.706 160 2HB CYS 25 1HB CYS 25 4.965 6.525 4.748 161 H ILE 26 H ILE 26 7.222 4.276 1.881 162 HA ILE 26 HA ILE 26 9.576 4.589 3.427 163 HB ILE 26 HB ILE 26 10.744 4.458 1.189 164 1HG1 ILE 26 2HG1 ILE 26 7.919 3.966 0.209 165 2HG1 ILE 26 1HG1 ILE 26 8.877 5.398 -0.152 166 1HG2 ILE 26 1HG2 ILE 26 10.400 2.121 1.023 167 2HG2 ILE 26 2HG2 ILE 26 8.774 2.243 1.695 168 3HG2 ILE 26 3HG2 ILE 26 10.178 2.548 2.720 169 1HD1 ILE 26 1HD1 ILE 26 9.117 2.635 -1.205 170 2HD1 ILE 26 2HD1 ILE 26 10.579 3.611 -1.065 171 3HD1 ILE 26 3HD1 ILE 26 9.228 4.183 -2.043 172 H PHE 27 H PHE 27 8.311 6.944 3.825 173 HA PHE 27 HA PHE 27 8.613 9.180 3.899 174 1HB PHE 27 2HB PHE 27 11.318 8.301 2.931 175 2HB PHE 27 1HB PHE 27 10.950 9.999 3.191 176 HD1 PHE 27 1HD PHE 27 11.876 10.783 5.124 177 HD2 PHE 27 2HD PHE 27 10.250 6.850 5.089 178 HE1 PHE 27 1HE PHE 27 12.425 10.538 7.509 179 HE2 PHE 27 2HE PHE 27 10.793 6.601 7.475 180 HZ PHE 27 HZ PHE 27 11.882 8.446 8.688 181 H PHE 28 H PHE 28 7.608 7.905 1.358 182 HA PHE 28 HA PHE 28 7.919 10.303 -0.307 183 1HB PHE 28 2HB PHE 28 8.053 7.439 -1.186 184 2HB PHE 28 1HB PHE 28 7.501 8.681 -2.291 185 HD1 PHE 28 1HD PHE 28 10.354 8.179 0.086 186 HD2 PHE 28 2HD PHE 28 9.049 9.481 -3.748 187 HE1 PHE 28 1HE PHE 28 12.679 8.691 -0.528 188 HE2 PHE 28 2HE PHE 28 11.372 9.995 -4.369 189 HZ PHE 28 HZ PHE 28 13.192 9.600 -2.758 190 H TYR 29 H TYR 29 6.095 11.147 -0.999 191 HA TYR 29 HA TYR 29 3.594 9.899 -0.171 192 1HB TYR 29 2HB TYR 29 4.169 12.332 0.337 193 2HB TYR 29 1HB TYR 29 3.945 12.648 -1.380 194 HD1 TYR 29 1HD TYR 29 2.083 10.777 1.273 195 HD2 TYR 29 2HD TYR 29 1.922 13.629 -1.881 196 HE1 TYR 29 1HE TYR 29 -0.331 11.045 1.646 197 HE2 TYR 29 2HE TYR 29 -0.495 13.905 -1.513 198 HH TYR 29 HH TYR 29 -2.214 13.447 -0.125 199 HA PRO 30 HA PRO 30 1.920 9.327 -0.434 200 1HB PRO 30 2HB PRO 30 0.065 7.654 -1.372 201 2HB PRO 30 1HB PRO 30 -0.049 9.393 -1.661 202 1HG PRO 30 2HG PRO 30 0.688 7.215 -3.529 203 2HG PRO 30 1HG PRO 30 -0.068 8.780 -3.867 204 1HD PRO 30 2HD PRO 30 2.691 8.075 -4.130 205 2HD PRO 30 1HD PRO 30 1.947 9.664 -4.393 206 H CYS 31 H CYS 31 1.191 7.071 0.483 207 HA CYS 31 HA CYS 31 3.521 5.381 0.464 208 1HB CYS 31 2HB CYS 31 0.861 4.983 1.858 209 2HB CYS 31 1HB CYS 31 2.361 4.135 2.211 210 H SER 32 H SER 32 3.051 2.877 0.322 211 HA SER 32 HA SER 32 0.938 2.246 -1.559 212 1HB SER 32 2HB SER 32 2.689 1.171 -3.125 213 2HB SER 32 1HB SER 32 2.473 2.921 -3.192 214 HG SER 32 HG SER 32 4.271 2.987 -1.626 215 H CYS 33 H CYS 33 0.152 0.291 -1.216 216 HA CYS 33 HA CYS 33 1.226 -1.441 0.767 217 1HB CYS 33 2HB CYS 33 -0.856 -2.209 -1.279 218 2HB CYS 33 1HB CYS 33 -0.651 -2.836 0.349 219 H ARG 34 H ARG 34 2.655 -2.988 0.545 220 HA ARG 34 HA ARG 34 3.367 -3.901 -2.168 221 1HB ARG 34 2HB ARG 34 5.143 -3.690 0.275 222 2HB ARG 34 1HB ARG 34 5.643 -4.228 -1.322 223 1HG ARG 34 2HG ARG 34 4.582 -1.479 -0.710 224 2HG ARG 34 1HG ARG 34 6.293 -1.900 -0.799 225 1HD ARG 34 2HD ARG 34 6.127 -2.436 -3.104 226 2HD ARG 34 1HD ARG 34 4.367 -2.375 -3.058 227 HE ARG 34 HE ARG 34 5.210 0.134 -2.307 228 1HH1 ARG 34 1HH1 ARG 34 5.660 -1.917 -5.106 229 2HH1 ARG 34 2HH1 ARG 34 5.729 -0.598 -6.225 230 1HH2 ARG 34 1HH2 ARG 34 5.282 1.877 -3.767 231 2HH2 ARG 34 2HH2 ARG 34 5.524 1.573 -5.460 232 HA PRO 35 HA PRO 35 2.295 -8.038 -1.077 233 1HB PRO 35 2HB PRO 35 4.846 -8.886 -2.321 234 2HB PRO 35 1HB PRO 35 3.192 -9.358 -2.716 235 1HG PRO 35 2HG PRO 35 4.590 -7.703 -4.291 236 2HG PRO 35 1HG PRO 35 2.843 -7.511 -4.056 237 1HD PRO 35 2HD PRO 35 5.098 -5.944 -2.889 238 2HD PRO 35 1HD PRO 35 3.492 -5.399 -3.407 239 H LYS 36 H LYS 36 2.706 -9.500 0.554 240 HA LYS 36 HA LYS 36 4.779 -8.788 2.410 241 1HB LYS 36 2HB LYS 36 2.546 -9.483 3.198 242 2HB LYS 36 1HB LYS 36 2.798 -11.077 2.499 243 1HG LYS 36 2HG LYS 36 4.759 -11.348 4.025 244 2HG LYS 36 1HG LYS 36 4.283 -9.836 4.804 245 1HD LYS 36 2HD LYS 36 2.253 -10.756 5.574 246 2HD LYS 36 1HD LYS 36 2.393 -12.154 4.505 247 1HE LYS 36 2HE LYS 36 4.195 -11.530 6.841 248 2HE LYS 36 1HE LYS 36 2.909 -12.737 6.826 249 1HZ LYS 36 1HZ LYS 36 4.198 -14.191 5.760 250 2HZ LYS 36 2HZ LYS 36 5.500 -13.198 6.184 251 3HZ LYS 36 3HZ LYS 36 4.777 -13.039 4.662 252 H GLY 37 H GLY 37 6.406 -9.235 0.714 253 1HA GLY 37 2HA GLY 37 8.269 -10.985 1.178 254 2HA GLY 37 1HA GLY 37 7.097 -12.072 0.440 255 H TRP 38 H TRP 38 7.873 -8.726 -0.342 256 HA TRP 38 HA TRP 38 7.996 -9.325 -3.136 257 1HB TRP 38 2HB TRP 38 8.314 -6.978 -3.477 258 2HB TRP 38 1HB TRP 38 7.145 -7.158 -2.178 259 HD1 TRP 38 HD TRP 38 10.891 -6.309 -2.665 260 HE1 TRP 38 1HE TRP 38 11.625 -4.778 -0.737 261 HE3 TRP 38 3HE TRP 38 6.585 -6.341 0.092 262 HZ2 TRP 38 2HZ TRP 38 10.532 -3.720 1.637 263 HZ3 TRP 38 3HZ TRP 38 6.514 -5.043 2.180 264 HH2 TRP 38 HH TRP 38 8.447 -3.760 2.935 Start of MODEL 18 1 1H LYS 1 1HT LYS 1 -13.645 -1.025 0.138 2 2H LYS 1 2HT LYS 1 -12.172 -0.183 0.083 3 H LYS 1 H LYS 1 -12.519 -1.230 1.272 4 3H LYS 1 3HT LYS 1 -12.431 -1.358 1.268 5 HA LYS 1 HA LYS 1 -12.540 -3.095 -0.426 6 1HB LYS 1 2HB LYS 1 -11.729 -0.837 -2.283 7 2HB LYS 1 1HB LYS 1 -11.925 -2.525 -2.728 8 1HG LYS 1 2HG LYS 1 -14.334 -2.344 -2.180 9 2HG LYS 1 1HG LYS 1 -14.096 -0.621 -1.871 10 1HD LYS 1 2HD LYS 1 -13.286 -0.345 -4.185 11 2HD LYS 1 1HD LYS 1 -13.598 -2.056 -4.482 12 1HE LYS 1 2HE LYS 1 -15.442 -0.838 -5.363 13 2HE LYS 1 1HE LYS 1 -15.995 -1.627 -3.886 14 1HZ LYS 1 1HZ LYS 1 -16.553 0.335 -3.057 15 2HZ LYS 1 2HZ LYS 1 -16.125 1.072 -4.517 16 3HZ LYS 1 3HZ LYS 1 -14.985 0.937 -3.274 17 H CYS 2 H CYS 2 -10.594 -4.274 -0.326 18 HA CYS 2 HA CYS 2 -8.411 -2.797 0.781 19 1HB CYS 2 2HB CYS 2 -7.229 -4.896 0.988 20 2HB CYS 2 1HB CYS 2 -8.869 -5.053 1.580 21 H LEU 3 H LEU 3 -6.471 -2.448 0.039 22 HA LEU 3 HA LEU 3 -6.260 -1.952 -2.776 23 1HB LEU 3 2HB LEU 3 -4.329 -1.526 -0.501 24 2HB LEU 3 1HB LEU 3 -4.120 -0.913 -2.123 25 HG LEU 3 HG LEU 3 -6.380 -0.155 -0.279 26 1HD1 LEU 3 1HD1 LEU 3 -3.709 0.690 -0.259 27 2HD1 LEU 3 2HD1 LEU 3 -5.077 1.407 0.592 28 3HD1 LEU 3 3HD1 LEU 3 -4.632 1.990 -1.012 29 1HD2 LEU 3 1HD2 LEU 3 -5.981 1.703 -2.371 30 2HD2 LEU 3 2HD2 LEU 3 -7.379 0.669 -2.079 31 3HD2 LEU 3 3HD2 LEU 3 -6.057 0.098 -3.099 32 H ALA 4 H ALA 4 -5.222 -3.130 -4.260 33 HA ALA 4 HA ALA 4 -4.143 -5.688 -3.531 34 1HB ALA 4 1HB ALA 4 -3.990 -6.102 -5.893 35 2HB ALA 4 2HB ALA 4 -4.221 -4.390 -6.248 36 3HB ALA 4 3HB ALA 4 -5.537 -5.331 -5.543 37 H GLU 5 H GLU 5 -2.186 -6.068 -5.441 38 HA GLU 5 HA GLU 5 0.094 -5.177 -4.062 39 1HB GLU 5 2HB GLU 5 1.360 -6.225 -5.955 40 2HB GLU 5 1HB GLU 5 0.212 -7.284 -5.154 41 1HG GLU 5 2HG GLU 5 -0.527 -5.822 -7.661 42 2HG GLU 5 1HG GLU 5 0.377 -7.332 -7.717 43 H ALA 6 H ALA 6 1.299 -3.511 -4.239 44 HA ALA 6 HA ALA 6 2.244 -1.565 -4.884 45 1HB ALA 6 1HB ALA 6 1.848 -2.978 -7.413 46 2HB ALA 6 2HB ALA 6 3.256 -2.109 -6.801 47 3HB ALA 6 3HB ALA 6 1.942 -1.224 -7.575 48 H ALA 7 H ALA 7 -0.435 -1.561 -3.986 49 HA ALA 7 HA ALA 7 -1.721 0.482 -5.663 50 1HB ALA 7 1HB ALA 7 -3.520 0.078 -3.713 51 2HB ALA 7 2HB ALA 7 -2.691 -1.478 -3.683 52 3HB ALA 7 3HB ALA 7 -3.435 -0.902 -5.175 53 H ASP 8 H ASP 8 -1.717 2.579 -5.114 54 HA ASP 8 HA ASP 8 -0.184 3.483 -2.914 55 1HB ASP 8 2HB ASP 8 -0.816 5.730 -3.612 56 2HB ASP 8 1HB ASP 8 -0.367 4.755 -5.005 57 H CYS 9 H CYS 9 -0.829 4.779 -1.145 58 HA CYS 9 HA CYS 9 -3.621 4.810 -0.367 59 1HB CYS 9 2HB CYS 9 -3.463 3.521 1.577 60 2HB CYS 9 1HB CYS 9 -2.521 2.591 0.430 61 H SER 10 H SER 10 -3.371 5.546 2.230 62 HA SER 10 HA SER 10 -1.315 7.507 2.591 63 1HB SER 10 2HB SER 10 -2.833 8.735 1.072 64 2HB SER 10 1HB SER 10 -4.162 8.473 2.201 65 HG SER 10 HG SER 10 -2.613 10.508 2.203 66 HA PRO 11 HA PRO 11 -2.280 6.226 6.729 67 1HB PRO 11 2HB PRO 11 -0.708 8.628 7.466 68 2HB PRO 11 1HB PRO 11 -0.444 6.933 7.897 69 1HG PRO 11 2HG PRO 11 1.146 8.098 6.127 70 2HG PRO 11 1HG PRO 11 0.565 6.444 5.861 71 1HD PRO 11 2HD PRO 11 -0.462 8.997 4.671 72 2HD PRO 11 1HD PRO 11 -0.071 7.461 3.864 73 H TRP 12 H TRP 12 -2.747 9.491 5.574 74 HA TRP 12 HA TRP 12 -4.304 10.313 7.846 75 1HB TRP 12 2HB TRP 12 -3.885 11.604 5.142 76 2HB TRP 12 1HB TRP 12 -4.789 12.337 6.461 77 HD1 TRP 12 HD TRP 12 -3.413 13.382 8.464 78 HE1 TRP 12 1HE TRP 12 -0.926 13.970 8.756 79 HE3 TRP 12 3HE TRP 12 -1.492 10.805 4.487 80 HZ2 TRP 12 2HZ TRP 12 1.525 13.422 7.471 81 HZ3 TRP 12 3HZ TRP 12 0.933 10.895 4.085 82 HH2 TRP 12 HH TRP 12 2.409 12.177 5.547 83 H SER 13 H SER 13 -4.874 8.729 4.838 84 HA SER 13 HA SER 13 -7.506 8.002 5.497 85 1HB SER 13 2HB SER 13 -7.878 10.458 4.969 86 2HB SER 13 1HB SER 13 -7.425 10.089 3.306 87 HG SER 13 HG SER 13 -9.749 9.532 4.674 88 H GLY 14 H GLY 14 -7.832 6.143 4.454 89 1HA GLY 14 2HA GLY 14 -7.653 5.654 1.755 90 2HA GLY 14 1HA GLY 14 -6.053 5.298 2.389 91 H ASP 15 H ASP 15 -8.033 3.495 1.199 92 HA ASP 15 HA ASP 15 -9.234 1.913 3.226 93 1HB ASP 15 2HB ASP 15 -9.088 1.862 0.367 94 2HB ASP 15 1HB ASP 15 -8.651 0.281 0.977 95 H SER 16 H SER 16 -8.634 -0.341 3.678 96 HA SER 16 HA SER 16 -5.840 -0.492 4.371 97 1HB SER 16 2HB SER 16 -7.906 -2.660 4.720 98 2HB SER 16 1HB SER 16 -6.417 -2.430 5.632 99 HG SER 16 HG SER 16 -7.914 -0.211 5.781 100 H CYS 17 H CYS 17 -4.358 -1.991 3.619 101 HA CYS 17 HA CYS 17 -4.640 -2.783 0.884 102 1HB CYS 17 2HB CYS 17 -2.496 -3.739 2.784 103 2HB CYS 17 1HB CYS 17 -2.390 -3.528 1.041 104 H CYS 18 H CYS 18 -4.771 -4.913 0.049 105 HA CYS 18 HA CYS 18 -6.285 -6.786 1.553 106 1HB CYS 18 2HB CYS 18 -4.628 -7.298 -0.938 107 2HB CYS 18 1HB CYS 18 -5.904 -8.332 -0.314 108 H LYS 19 H LYS 19 -5.633 -8.585 2.667 109 HA LYS 19 HA LYS 19 -2.947 -8.490 3.646 110 1HB LYS 19 2HB LYS 19 -3.672 -10.408 5.045 111 2HB LYS 19 1HB LYS 19 -4.705 -9.003 5.197 112 1HG LYS 19 2HG LYS 19 -6.340 -10.042 3.710 113 2HG LYS 19 1HG LYS 19 -5.297 -11.455 3.551 114 1HD LYS 19 2HD LYS 19 -7.039 -11.900 5.175 115 2HD LYS 19 1HD LYS 19 -5.472 -11.828 5.984 116 1HE LYS 19 2HE LYS 19 -5.942 -9.529 6.682 117 2HE LYS 19 1HE LYS 19 -7.506 -9.601 5.869 118 1HZ LYS 19 1HZ LYS 19 -8.035 -10.080 8.047 119 2HZ LYS 19 2HZ LYS 19 -6.628 -10.980 8.319 120 3HZ LYS 19 3HZ LYS 19 -7.881 -11.632 7.389 121 HA PRO 20 HA PRO 20 -1.524 -9.415 4.440 122 1HB PRO 20 2HB PRO 20 0.904 -10.564 4.427 123 2HB PRO 20 1HB PRO 20 -0.539 -11.436 4.953 124 1HG PRO 20 2HG PRO 20 1.070 -11.802 2.527 125 2HG PRO 20 1HG PRO 20 -0.107 -12.899 3.266 126 1HD PRO 20 2HD PRO 20 -0.471 -11.026 1.053 127 2HD PRO 20 1HD PRO 20 -1.555 -12.316 1.617 128 H TYR 21 H TYR 21 -1.575 -7.940 1.960 129 HA TYR 21 HA TYR 21 1.128 -7.078 1.379 130 1HB TYR 21 2HB TYR 21 -1.466 -5.738 0.540 131 2HB TYR 21 1HB TYR 21 0.132 -5.455 -0.122 132 HD1 TYR 21 1HD TYR 21 -1.807 -5.899 -2.040 133 HD2 TYR 21 2HD TYR 21 0.212 -8.847 0.262 134 HE1 TYR 21 1HE TYR 21 -2.215 -7.548 -3.808 135 HE2 TYR 21 2HE TYR 21 -0.194 -10.511 -1.505 136 HH TYR 21 HH TYR 21 -1.739 -9.581 -4.565 137 H LEU 22 H LEU 22 2.008 -5.047 1.863 138 HA LEU 22 HA LEU 22 0.604 -3.577 3.997 139 1HB LEU 22 2HB LEU 22 2.329 -4.957 4.994 140 2HB LEU 22 1HB LEU 22 3.522 -4.326 3.877 141 HG LEU 22 HG LEU 22 3.234 -2.076 4.909 142 1HD1 LEU 22 1HD1 LEU 22 2.123 -2.004 7.141 143 2HD1 LEU 22 2HD1 LEU 22 1.457 -3.601 6.803 144 3HD1 LEU 22 3HD1 LEU 22 1.018 -2.229 5.785 145 1HD2 LEU 22 1HD2 LEU 22 4.778 -4.126 5.721 146 2HD2 LEU 22 2HD2 LEU 22 3.891 -3.795 7.209 147 3HD2 LEU 22 3HD2 LEU 22 4.829 -2.515 6.439 148 H CYS 23 H CYS 23 0.585 -1.394 3.814 149 HA CYS 23 HA CYS 23 1.546 -0.235 1.378 150 1HB CYS 23 2HB CYS 23 -0.571 0.389 2.792 151 2HB CYS 23 1HB CYS 23 0.553 1.452 3.633 152 H SER 24 H SER 24 3.498 0.363 1.038 153 HA SER 24 HA SER 24 5.334 0.774 3.223 154 1HB SER 24 2HB SER 24 7.018 1.035 1.348 155 2HB SER 24 1HB SER 24 6.188 -0.518 1.412 156 HG SER 24 HG SER 24 4.709 0.430 -0.193 157 H CYS 25 H CYS 25 5.821 2.634 4.083 158 HA CYS 25 HA CYS 25 5.250 5.114 2.606 159 1HB CYS 25 2HB CYS 25 5.266 4.579 5.588 160 2HB CYS 25 1HB CYS 25 5.140 6.185 4.880 161 H ILE 26 H ILE 26 7.438 4.374 1.722 162 HA ILE 26 HA ILE 26 9.761 4.601 3.334 163 HB ILE 26 HB ILE 26 10.965 4.724 1.113 164 1HG1 ILE 26 2HG1 ILE 26 8.173 4.229 0.044 165 2HG1 ILE 26 1HG1 ILE 26 9.084 5.721 -0.165 166 1HG2 ILE 26 1HG2 ILE 26 11.080 2.573 1.650 167 2HG2 ILE 26 2HG2 ILE 26 9.697 2.319 0.585 168 3HG2 ILE 26 3HG2 ILE 26 9.446 2.576 2.312 169 1HD1 ILE 26 1HD1 ILE 26 9.038 3.548 -1.871 170 2HD1 ILE 26 2HD1 ILE 26 10.593 3.423 -1.048 171 3HD1 ILE 26 3HD1 ILE 26 10.169 4.901 -1.913 172 H PHE 27 H PHE 27 8.399 6.863 3.920 173 HA PHE 27 HA PHE 27 8.625 9.089 4.215 174 1HB PHE 27 2HB PHE 27 11.367 8.409 3.192 175 2HB PHE 27 1HB PHE 27 10.932 10.059 3.606 176 HD1 PHE 27 1HD PHE 27 10.323 6.733 5.208 177 HD2 PHE 27 2HD PHE 27 11.844 10.688 5.602 178 HE1 PHE 27 1HE PHE 27 10.859 6.287 7.566 179 HE2 PHE 27 2HE PHE 27 12.384 10.248 7.962 180 HZ PHE 27 HZ PHE 27 11.892 8.046 8.946 181 H PHE 28 H PHE 28 7.709 7.992 1.554 182 HA PHE 28 HA PHE 28 7.842 10.557 0.144 183 1HB PHE 28 2HB PHE 28 8.299 7.838 -1.045 184 2HB PHE 28 1HB PHE 28 7.692 9.158 -2.023 185 HD1 PHE 28 1HD PHE 28 10.507 8.399 0.318 186 HD2 PHE 28 2HD PHE 28 9.185 10.462 -3.159 187 HE1 PHE 28 1HE PHE 28 12.803 9.177 -0.088 188 HE2 PHE 28 2HE PHE 28 11.480 11.245 -3.571 189 HZ PHE 28 HZ PHE 28 13.293 10.602 -2.035 190 H TYR 29 H TYR 29 5.961 11.274 -0.516 191 HA TYR 29 HA TYR 29 3.588 9.686 0.051 192 1HB TYR 29 2HB TYR 29 3.926 12.128 0.802 193 2HB TYR 29 1HB TYR 29 3.620 12.556 -0.877 194 HD1 TYR 29 1HD TYR 29 1.478 13.320 -1.254 195 HD2 TYR 29 2HD TYR 29 2.071 10.251 1.633 196 HE1 TYR 29 1HE TYR 29 -0.943 13.271 -0.815 197 HE2 TYR 29 2HE TYR 29 -0.345 10.192 2.077 198 HH TYR 29 HH TYR 29 -2.614 12.121 0.183 199 HA PRO 30 HA PRO 30 1.870 9.152 -0.362 200 1HB PRO 30 2HB PRO 30 0.114 7.540 -1.565 201 2HB PRO 30 1HB PRO 30 -0.017 9.298 -1.701 202 1HG PRO 30 2HG PRO 30 0.868 7.312 -3.711 203 2HG PRO 30 1HG PRO 30 0.121 8.900 -3.948 204 1HD PRO 30 2HD PRO 30 2.902 8.225 -4.084 205 2HD PRO 30 1HD PRO 30 2.160 9.826 -4.272 206 H CYS 31 H CYS 31 1.276 6.938 0.504 207 HA CYS 31 HA CYS 31 3.566 5.197 0.300 208 1HB CYS 31 2HB CYS 31 0.991 4.803 1.846 209 2HB CYS 31 1HB CYS 31 2.497 3.925 2.082 210 H SER 32 H SER 32 3.186 2.772 -0.072 211 HA SER 32 HA SER 32 0.853 2.236 -1.738 212 1HB SER 32 2HB SER 32 2.471 1.221 -3.493 213 2HB SER 32 1HB SER 32 2.235 2.969 -3.467 214 HG SER 32 HG SER 32 4.161 3.090 -2.175 215 H CYS 33 H CYS 33 0.035 0.327 -1.294 216 HA CYS 33 HA CYS 33 1.244 -1.541 0.449 217 1HB CYS 33 2HB CYS 33 -1.021 -2.202 -1.424 218 2HB CYS 33 1HB CYS 33 -0.684 -2.866 0.160 219 H ARG 34 H ARG 34 2.642 -3.039 0.061 220 HA ARG 34 HA ARG 34 3.080 -3.904 -2.719 221 1HB ARG 34 2HB ARG 34 4.999 -4.011 -0.387 222 2HB ARG 34 1HB ARG 34 5.357 -4.479 -2.038 223 1HG ARG 34 2HG ARG 34 4.593 -1.691 -1.209 224 2HG ARG 34 1HG ARG 34 6.255 -2.259 -1.391 225 1HD ARG 34 2HD ARG 34 6.001 -2.590 -3.702 226 2HD ARG 34 1HD ARG 34 4.243 -2.494 -3.607 227 HE ARG 34 HE ARG 34 5.205 -0.051 -2.733 228 1HH1 ARG 34 1HH1 ARG 34 5.376 -1.943 -5.672 229 2HH1 ARG 34 2HH1 ARG 34 5.410 -0.563 -6.715 230 1HH2 ARG 34 1HH2 ARG 34 5.223 1.775 -4.094 231 2HH2 ARG 34 2HH2 ARG 34 5.331 1.563 -5.814 232 HA PRO 35 HA PRO 35 1.724 -7.933 -1.584 233 1HB PRO 35 2HB PRO 35 3.388 -9.454 -3.153 234 2HB PRO 35 1HB PRO 35 1.948 -8.628 -3.755 235 1HG PRO 35 2HG PRO 35 4.816 -7.832 -3.947 236 2HG PRO 35 1HG PRO 35 3.513 -7.642 -5.134 237 1HD PRO 35 2HD PRO 35 4.421 -5.604 -3.581 238 2HD PRO 35 1HD PRO 35 2.752 -5.699 -4.160 239 H LYS 36 H LYS 36 2.345 -9.675 -0.227 240 HA LYS 36 HA LYS 36 4.693 -9.097 1.293 241 1HB LYS 36 2HB LYS 36 2.542 -9.903 2.323 242 2HB LYS 36 1HB LYS 36 2.898 -11.492 1.651 243 1HG LYS 36 2HG LYS 36 3.569 -11.170 4.050 244 2HG LYS 36 1HG LYS 36 4.860 -11.713 2.975 245 1HD LYS 36 2HD LYS 36 5.448 -9.226 2.734 246 2HD LYS 36 1HD LYS 36 4.417 -8.976 4.143 247 1HE LYS 36 2HE LYS 36 5.807 -10.339 5.505 248 2HE LYS 36 1HE LYS 36 6.708 -10.928 4.109 249 1HZ LYS 36 1HZ LYS 36 6.685 -8.060 4.826 250 2HZ LYS 36 2HZ LYS 36 7.794 -8.889 3.848 251 3HZ LYS 36 3HZ LYS 36 7.789 -9.134 5.524 252 H GLY 37 H GLY 37 6.444 -10.310 1.557 253 1HA GLY 37 2HA GLY 37 7.423 -12.638 0.905 254 2HA GLY 37 1HA GLY 37 7.206 -11.970 -0.718 255 H TRP 38 H TRP 38 7.602 -9.291 0.082 256 HA TRP 38 HA TRP 38 10.496 -9.183 0.127 257 1HB TRP 38 2HB TRP 38 8.361 -7.047 -0.168 258 2HB TRP 38 1HB TRP 38 10.083 -6.699 -0.141 259 HD1 TRP 38 HD TRP 38 11.203 -6.583 -2.419 260 HE1 TRP 38 1HE TRP 38 10.646 -7.358 -4.805 261 HE3 TRP 38 3HE TRP 38 6.887 -9.158 -1.461 262 HZ2 TRP 38 2HZ TRP 38 8.647 -8.851 -6.113 263 HZ3 TRP 38 3HZ TRP 38 5.713 -10.225 -3.339 264 HH2 TRP 38 HH TRP 38 6.574 -10.072 -5.618 Start of MODEL 19 1 1H LYS 1 1HT LYS 1 -14.500 -3.899 0.794 2 2H LYS 1 2HT LYS 1 -13.129 -4.294 1.702 3 H LYS 1 H LYS 1 -13.638 -3.942 1.675 4 3H LYS 1 3HT LYS 1 -13.727 -5.385 0.553 5 HA LYS 1 HA LYS 1 -12.648 -4.422 -1.109 6 1HB LYS 1 2HB LYS 1 -14.336 -2.599 -1.031 7 2HB LYS 1 1HB LYS 1 -13.361 -1.765 0.170 8 1HG LYS 1 2HG LYS 1 -11.521 -1.651 -1.513 9 2HG LYS 1 1HG LYS 1 -12.647 -2.304 -2.704 10 1HD LYS 1 2HD LYS 1 -14.098 -0.398 -2.449 11 2HD LYS 1 1HD LYS 1 -13.115 0.221 -1.121 12 1HE LYS 1 2HE LYS 1 -12.205 -0.116 -3.978 13 2HE LYS 1 1HE LYS 1 -12.665 1.408 -3.221 14 1HZ LYS 1 1HZ LYS 1 -10.158 0.190 -3.227 15 2HZ LYS 1 2HZ LYS 1 -10.715 0.138 -1.626 16 3HZ LYS 1 3HZ LYS 1 -10.615 1.619 -2.445 17 H CYS 2 H CYS 2 -10.475 -3.806 -1.469 18 HA CYS 2 HA CYS 2 -8.919 -2.602 0.608 19 1HB CYS 2 2HB CYS 2 -7.396 -4.568 0.901 20 2HB CYS 2 1HB CYS 2 -9.001 -4.804 1.582 21 H LEU 3 H LEU 3 -6.613 -2.545 0.012 22 HA LEU 3 HA LEU 3 -6.383 -1.829 -2.774 23 1HB LEU 3 2HB LEU 3 -4.449 -1.607 -0.473 24 2HB LEU 3 1HB LEU 3 -4.225 -0.899 -2.056 25 HG LEU 3 HG LEU 3 -6.481 -0.206 -0.189 26 1HD1 LEU 3 1HD1 LEU 3 -4.171 1.571 -0.847 27 2HD1 LEU 3 2HD1 LEU 3 -4.080 0.417 0.483 28 3HD1 LEU 3 3HD1 LEU 3 -5.316 1.674 0.491 29 1HD2 LEU 3 1HD2 LEU 3 -5.803 0.509 -2.963 30 2HD2 LEU 3 2HD2 LEU 3 -6.243 1.858 -1.916 31 3HD2 LEU 3 3HD2 LEU 3 -7.361 0.512 -2.136 32 H ALA 4 H ALA 4 -5.265 -2.880 -4.303 33 HA ALA 4 HA ALA 4 -4.310 -5.539 -3.772 34 1HB ALA 4 1HB ALA 4 -4.105 -5.752 -6.135 35 2HB ALA 4 2HB ALA 4 -4.151 -4.003 -6.354 36 3HB ALA 4 3HB ALA 4 -5.592 -4.862 -5.811 37 H GLU 5 H GLU 5 -2.250 -5.719 -5.669 38 HA GLU 5 HA GLU 5 -0.033 -4.911 -4.061 39 1HB GLU 5 2HB GLU 5 1.308 -5.840 -6.060 40 2HB GLU 5 1HB GLU 5 0.353 -6.953 -5.097 41 1HG GLU 5 2HG GLU 5 -0.759 -5.742 -7.596 42 2HG GLU 5 1HG GLU 5 0.300 -7.151 -7.658 43 H ALA 6 H ALA 6 1.211 -3.249 -4.190 44 HA ALA 6 HA ALA 6 2.158 -1.284 -4.788 45 1HB ALA 6 1HB ALA 6 1.611 -1.209 -7.614 46 2HB ALA 6 2HB ALA 6 2.197 -2.802 -7.137 47 3HB ALA 6 3HB ALA 6 3.153 -1.366 -6.772 48 H ALA 7 H ALA 7 -0.498 -1.317 -3.926 49 HA ALA 7 HA ALA 7 -1.814 0.715 -5.594 50 1HB ALA 7 1HB ALA 7 -2.769 -1.453 -3.959 51 2HB ALA 7 2HB ALA 7 -3.637 -0.470 -5.140 52 3HB ALA 7 3HB ALA 7 -3.507 0.071 -3.466 53 H ASP 8 H ASP 8 -2.178 2.779 -4.884 54 HA ASP 8 HA ASP 8 -0.549 3.825 -2.847 55 1HB ASP 8 2HB ASP 8 -1.743 5.933 -3.198 56 2HB ASP 8 1HB ASP 8 -1.335 5.181 -4.734 57 H CYS 9 H CYS 9 -0.954 4.497 -0.772 58 HA CYS 9 HA CYS 9 -3.585 3.985 0.377 59 1HB CYS 9 2HB CYS 9 -2.341 2.840 2.346 60 2HB CYS 9 1HB CYS 9 -2.694 1.906 0.900 61 H SER 10 H SER 10 -3.765 4.747 2.595 62 HA SER 10 HA SER 10 -1.841 6.700 3.522 63 1HB SER 10 2HB SER 10 -3.212 7.990 1.901 64 2HB SER 10 1HB SER 10 -4.667 7.525 2.779 65 HG SER 10 HG SER 10 -3.284 9.641 3.209 66 HA PRO 11 HA PRO 11 -3.020 5.109 7.438 67 1HB PRO 11 2HB PRO 11 -2.959 7.545 8.828 68 2HB PRO 11 1HB PRO 11 -1.606 6.435 8.595 69 1HG PRO 11 2HG PRO 11 -2.320 8.900 7.073 70 2HG PRO 11 1HG PRO 11 -0.723 8.271 7.506 71 1HD PRO 11 2HD PRO 11 -1.645 8.028 5.028 72 2HD PRO 11 1HD PRO 11 -0.731 6.708 5.789 73 H TRP 12 H TRP 12 -4.688 8.051 6.355 74 HA TRP 12 HA TRP 12 -7.094 7.036 7.714 75 1HB TRP 12 2HB TRP 12 -6.307 9.935 7.343 76 2HB TRP 12 1HB TRP 12 -7.832 9.378 8.021 77 HD1 TRP 12 HD TRP 12 -7.671 8.102 10.446 78 HE1 TRP 12 1HE TRP 12 -6.007 8.447 12.378 79 HE3 TRP 12 3HE TRP 12 -3.962 10.538 7.904 80 HZ2 TRP 12 2HZ TRP 12 -3.464 9.604 12.776 81 HZ3 TRP 12 3HZ TRP 12 -1.950 11.234 9.135 82 HH2 TRP 12 HH TRP 12 -1.707 10.777 11.522 83 H SER 13 H SER 13 -5.950 9.124 5.080 84 HA SER 13 HA SER 13 -8.475 8.852 3.686 85 1HB SER 13 2HB SER 13 -5.944 10.221 2.753 86 2HB SER 13 1HB SER 13 -7.580 10.463 2.136 87 HG SER 13 HG SER 13 -7.977 11.032 4.510 88 H GLY 14 H GLY 14 -7.578 6.352 3.903 89 1HA GLY 14 2HA GLY 14 -7.096 5.616 1.160 90 2HA GLY 14 1HA GLY 14 -5.736 5.276 2.220 91 H ASP 15 H ASP 15 -7.445 3.459 0.724 92 HA ASP 15 HA ASP 15 -9.176 2.087 2.544 93 1HB ASP 15 2HB ASP 15 -9.247 2.066 -0.036 94 2HB ASP 15 1HB ASP 15 -7.932 0.910 0.057 95 H SER 16 H SER 16 -8.785 -0.259 3.084 96 HA SER 16 HA SER 16 -6.170 -0.502 4.295 97 1HB SER 16 2HB SER 16 -8.332 -2.595 4.256 98 2HB SER 16 1HB SER 16 -7.033 -2.409 5.428 99 HG SER 16 HG SER 16 -8.699 -0.223 5.151 100 H CYS 17 H CYS 17 -4.600 -1.986 3.723 101 HA CYS 17 HA CYS 17 -4.544 -2.757 0.972 102 1HB CYS 17 2HB CYS 17 -2.679 -3.694 3.167 103 2HB CYS 17 1HB CYS 17 -2.358 -3.667 1.438 104 H CYS 18 H CYS 18 -4.819 -4.781 0.065 105 HA CYS 18 HA CYS 18 -6.430 -6.685 1.412 106 1HB CYS 18 2HB CYS 18 -4.761 -6.973 -1.104 107 2HB CYS 18 1HB CYS 18 -5.936 -8.154 -0.546 108 H LYS 19 H LYS 19 -5.887 -8.683 2.267 109 HA LYS 19 HA LYS 19 -3.272 -8.764 3.427 110 1HB LYS 19 2HB LYS 19 -4.090 -10.774 4.567 111 2HB LYS 19 1HB LYS 19 -5.198 -9.433 4.739 112 1HG LYS 19 2HG LYS 19 -6.717 -11.030 4.243 113 2HG LYS 19 1HG LYS 19 -6.275 -10.605 2.588 114 1HD LYS 19 2HD LYS 19 -4.433 -12.434 2.924 115 2HD LYS 19 1HD LYS 19 -5.506 -12.999 4.206 116 1HE LYS 19 2HE LYS 19 -6.050 -14.199 2.214 117 2HE LYS 19 1HE LYS 19 -7.355 -13.054 2.528 118 1HZ LYS 19 1HZ LYS 19 -5.927 -13.322 0.194 119 2HZ LYS 19 2HZ LYS 19 -5.339 -11.893 0.886 120 3HZ LYS 19 3HZ LYS 19 -6.996 -12.070 0.584 121 HA PRO 20 HA PRO 20 -1.899 -9.696 4.120 122 1HB PRO 20 2HB PRO 20 0.485 -10.897 4.182 123 2HB PRO 20 1HB PRO 20 -1.001 -11.816 4.444 124 1HG PRO 20 2HG PRO 20 0.819 -11.829 2.124 125 2HG PRO 20 1HG PRO 20 -0.354 -13.052 2.638 126 1HD PRO 20 2HD PRO 20 -0.664 -10.947 0.646 127 2HD PRO 20 1HD PRO 20 -1.752 -12.303 1.011 128 H TYR 21 H TYR 21 -1.672 -8.195 1.548 129 HA TYR 21 HA TYR 21 0.996 -7.309 1.167 130 1HB TYR 21 2HB TYR 21 -1.549 -5.815 0.453 131 2HB TYR 21 1HB TYR 21 0.057 -5.528 -0.198 132 HD1 TYR 21 1HD TYR 21 -2.418 -8.327 0.101 133 HD2 TYR 21 2HD TYR 21 0.578 -6.437 -2.250 134 HE1 TYR 21 1HE TYR 21 -2.845 -9.925 -1.712 135 HE2 TYR 21 2HE TYR 21 0.156 -8.031 -4.072 136 HH TYR 21 HH TYR 21 -1.585 -9.506 -4.875 137 H LEU 22 H LEU 22 1.857 -5.185 1.644 138 HA LEU 22 HA LEU 22 0.695 -3.995 4.075 139 1HB LEU 22 2HB LEU 22 2.523 -5.443 4.724 140 2HB LEU 22 1HB LEU 22 3.586 -4.681 3.558 141 HG LEU 22 HG LEU 22 3.389 -2.554 4.855 142 1HD1 LEU 22 1HD1 LEU 22 2.329 -2.434 6.918 143 2HD1 LEU 22 2HD1 LEU 22 2.236 -4.186 7.086 144 3HD1 LEU 22 3HD1 LEU 22 1.190 -3.353 5.935 145 1HD2 LEU 22 1HD2 LEU 22 4.798 -3.344 6.757 146 2HD2 LEU 22 2HD2 LEU 22 5.327 -3.916 5.175 147 3HD2 LEU 22 3HD2 LEU 22 4.453 -5.000 6.257 148 H CYS 23 H CYS 23 0.646 -1.836 4.162 149 HA CYS 23 HA CYS 23 1.206 -0.285 1.841 150 1HB CYS 23 2HB CYS 23 -0.650 0.221 3.392 151 2HB CYS 23 1HB CYS 23 0.512 0.591 4.658 152 H SER 24 H SER 24 3.134 0.511 1.261 153 HA SER 24 HA SER 24 5.213 0.677 3.315 154 1HB SER 24 2HB SER 24 6.821 0.688 1.447 155 2HB SER 24 1HB SER 24 5.756 -0.714 1.379 156 HG SER 24 HG SER 24 4.469 0.589 -0.144 157 H CYS 25 H CYS 25 5.768 2.543 4.118 158 HA CYS 25 HA CYS 25 5.255 5.003 2.582 159 1HB CYS 25 2HB CYS 25 5.367 4.560 5.577 160 2HB CYS 25 1HB CYS 25 5.289 6.148 4.825 161 H ILE 26 H ILE 26 7.390 4.072 1.663 162 HA ILE 26 HA ILE 26 9.745 4.370 3.238 163 HB ILE 26 HB ILE 26 9.604 2.769 1.427 164 1HG1 ILE 26 2HG1 ILE 26 11.799 3.292 0.344 165 2HG1 ILE 26 1HG1 ILE 26 11.736 4.877 1.093 166 1HG2 ILE 26 1HG2 ILE 26 9.872 4.948 -0.599 167 2HG2 ILE 26 2HG2 ILE 26 8.285 4.389 -0.070 168 3HG2 ILE 26 3HG2 ILE 26 9.408 3.260 -0.826 169 1HD1 ILE 26 1HD1 ILE 26 13.075 3.669 2.532 170 2HD1 ILE 26 2HD1 ILE 26 12.111 2.202 2.363 171 3HD1 ILE 26 3HD1 ILE 26 11.491 3.564 3.298 172 H PHE 27 H PHE 27 8.671 6.604 3.691 173 HA PHE 27 HA PHE 27 8.874 8.861 3.768 174 1HB PHE 27 2HB PHE 27 11.566 8.122 2.632 175 2HB PHE 27 1HB PHE 27 11.149 9.767 3.091 176 HD1 PHE 27 1HD PHE 27 11.984 10.426 5.104 177 HD2 PHE 27 2HD PHE 27 10.827 6.360 4.619 178 HE1 PHE 27 1HE PHE 27 12.670 9.959 7.419 179 HE2 PHE 27 2HE PHE 27 11.507 5.887 6.935 180 HZ PHE 27 HZ PHE 27 12.430 7.687 8.338 181 H PHE 28 H PHE 28 7.779 7.655 1.235 182 HA PHE 28 HA PHE 28 8.073 10.078 -0.399 183 1HB PHE 28 2HB PHE 28 8.142 7.228 -1.302 184 2HB PHE 28 1HB PHE 28 7.518 8.462 -2.375 185 HD1 PHE 28 1HD PHE 28 8.988 9.147 -3.964 186 HD2 PHE 28 2HD PHE 28 10.494 8.110 -0.123 187 HE1 PHE 28 1HE PHE 28 11.270 9.664 -4.723 188 HE2 PHE 28 2HE PHE 28 12.778 8.629 -0.874 189 HZ PHE 28 HZ PHE 28 13.168 9.408 -3.177 190 H TYR 29 H TYR 29 6.260 10.975 -1.025 191 HA TYR 29 HA TYR 29 3.746 9.808 -0.129 192 1HB TYR 29 2HB TYR 29 4.318 12.178 0.429 193 2HB TYR 29 1HB TYR 29 4.272 12.556 -1.289 194 HD1 TYR 29 1HD TYR 29 2.356 13.615 -1.996 195 HD2 TYR 29 2HD TYR 29 2.074 10.805 1.185 196 HE1 TYR 29 1HE TYR 29 -0.059 14.048 -1.836 197 HE2 TYR 29 2HE TYR 29 -0.342 11.227 1.353 198 HH TYR 29 HH TYR 29 -2.072 12.991 -1.020 199 HA PRO 30 HA PRO 30 2.075 9.252 -0.340 200 1HB PRO 30 2HB PRO 30 0.097 7.705 -1.252 201 2HB PRO 30 1HB PRO 30 0.064 9.456 -1.479 202 1HG PRO 30 2HG PRO 30 0.562 7.315 -3.451 203 2HG PRO 30 1HG PRO 30 -0.049 8.956 -3.704 204 1HD PRO 30 2HD PRO 30 2.640 7.983 -4.040 205 2HD PRO 30 1HD PRO 30 2.024 9.622 -4.325 206 H CYS 31 H CYS 31 1.316 7.053 0.607 207 HA CYS 31 HA CYS 31 3.508 5.199 0.366 208 1HB CYS 31 2HB CYS 31 0.961 4.957 1.985 209 2HB CYS 31 1HB CYS 31 2.421 3.999 2.187 210 H SER 32 H SER 32 3.058 2.828 -0.003 211 HA SER 32 HA SER 32 0.644 2.315 -1.551 212 1HB SER 32 2HB SER 32 2.153 1.274 -3.376 213 2HB SER 32 1HB SER 32 1.976 3.029 -3.340 214 HG SER 32 HG SER 32 3.991 3.245 -2.625 215 H CYS 33 H CYS 33 -0.140 0.340 -1.212 216 HA CYS 33 HA CYS 33 1.150 -1.486 0.552 217 1HB CYS 33 2HB CYS 33 -1.148 -2.189 -1.278 218 2HB CYS 33 1HB CYS 33 -0.750 -2.884 0.279 219 H ARG 34 H ARG 34 2.547 -3.042 0.069 220 HA ARG 34 HA ARG 34 2.880 -3.776 -2.766 221 1HB ARG 34 2HB ARG 34 5.008 -3.881 -0.624 222 2HB ARG 34 1HB ARG 34 5.226 -4.111 -2.352 223 1HG ARG 34 2HG ARG 34 4.223 -1.662 -2.419 224 2HG ARG 34 1HG ARG 34 4.899 -1.623 -0.791 225 1HD ARG 34 2HD ARG 34 7.041 -2.489 -1.814 226 2HD ARG 34 1HD ARG 34 6.325 -2.136 -3.383 227 HE ARG 34 HE ARG 34 6.127 0.143 -1.739 228 1HH1 ARG 34 1HH1 ARG 34 8.528 -1.736 -3.461 229 2HH1 ARG 34 2HH1 ARG 34 9.591 -0.393 -3.713 230 1HH2 ARG 34 1HH2 ARG 34 7.517 1.920 -2.067 231 2HH2 ARG 34 2HH2 ARG 34 9.014 1.701 -2.913 232 HA PRO 35 HA PRO 35 2.092 -7.988 -1.800 233 1HB PRO 35 2HB PRO 35 4.134 -9.300 -3.094 234 2HB PRO 35 1HB PRO 35 2.672 -8.700 -3.881 235 1HG PRO 35 2HG PRO 35 5.405 -7.521 -3.801 236 2HG PRO 35 1HG PRO 35 4.215 -7.517 -5.114 237 1HD PRO 35 2HD PRO 35 4.696 -5.364 -3.525 238 2HD PRO 35 1HD PRO 35 3.125 -5.673 -4.277 239 H LYS 36 H LYS 36 2.690 -9.640 -0.388 240 HA LYS 36 HA LYS 36 4.684 -8.884 1.528 241 1HB LYS 36 2HB LYS 36 2.337 -10.100 1.824 242 2HB LYS 36 1HB LYS 36 3.336 -11.537 1.654 243 1HG LYS 36 2HG LYS 36 2.934 -10.812 4.005 244 2HG LYS 36 1HG LYS 36 4.636 -10.959 3.560 245 1HD LYS 36 2HD LYS 36 4.974 -8.673 3.566 246 2HD LYS 36 1HD LYS 36 3.270 -8.317 3.278 247 1HE LYS 36 2HE LYS 36 4.316 -9.499 5.844 248 2HE LYS 36 1HE LYS 36 4.113 -7.767 5.580 249 1HZ LYS 36 1HZ LYS 36 2.135 -9.777 6.139 250 2HZ LYS 36 2HZ LYS 36 1.716 -8.782 4.832 251 3HZ LYS 36 3HZ LYS 36 2.061 -8.099 6.344 252 H GLY 37 H GLY 37 6.678 -9.556 1.648 253 1HA GLY 37 2HA GLY 37 8.011 -11.782 1.445 254 2HA GLY 37 1HA GLY 37 7.629 -11.563 -0.261 255 H TRP 38 H TRP 38 8.568 -9.330 2.307 256 HA TRP 38 HA TRP 38 10.438 -7.998 0.548 257 1HB TRP 38 2HB TRP 38 9.667 -7.430 3.426 258 2HB TRP 38 1HB TRP 38 10.679 -6.398 2.424 259 HD1 TRP 38 HD TRP 38 7.787 -7.740 0.484 260 HE1 TRP 38 1HE TRP 38 5.965 -5.951 0.235 261 HE3 TRP 38 3HE TRP 38 9.549 -4.322 3.857 262 HZ2 TRP 38 2HZ TRP 38 5.351 -3.416 1.322 263 HZ3 TRP 38 3HZ TRP 38 8.281 -2.241 4.191 264 HH2 TRP 38 HH TRP 38 6.226 -1.798 2.949 Start of MODEL 20 1 1H LYS 1 1HT LYS 1 -13.448 -1.859 2.360 2 2H LYS 1 2HT LYS 1 -14.178 -1.172 1.002 3 H LYS 1 H LYS 1 -13.272 -1.612 2.411 4 3H LYS 1 3HT LYS 1 -12.642 -0.642 1.497 5 HA LYS 1 HA LYS 1 -13.104 -3.463 0.741 6 1HB LYS 1 2HB LYS 1 -12.421 -2.900 -1.543 7 2HB LYS 1 1HB LYS 1 -13.900 -2.051 -1.119 8 1HG LYS 1 2HG LYS 1 -12.593 -0.018 -0.686 9 2HG LYS 1 1HG LYS 1 -11.126 -0.878 -1.157 10 1HD LYS 1 2HD LYS 1 -12.112 -1.262 -3.391 11 2HD LYS 1 1HD LYS 1 -13.518 -0.312 -2.908 12 1HE LYS 1 2HE LYS 1 -10.673 0.691 -3.017 13 2HE LYS 1 1HE LYS 1 -11.914 1.005 -4.227 14 1HZ LYS 1 1HZ LYS 1 -11.897 2.887 -2.873 15 2HZ LYS 1 2HZ LYS 1 -11.767 1.996 -1.437 16 3HZ LYS 1 3HZ LYS 1 -13.223 2.005 -2.306 17 H CYS 2 H CYS 2 -10.786 -3.592 -0.801 18 HA CYS 2 HA CYS 2 -8.719 -2.625 1.014 19 1HB CYS 2 2HB CYS 2 -7.540 -4.736 1.022 20 2HB CYS 2 1HB CYS 2 -9.157 -4.939 1.661 21 H LEU 3 H LEU 3 -6.658 -2.477 0.158 22 HA LEU 3 HA LEU 3 -6.668 -1.732 -2.643 23 1HB LEU 3 2HB LEU 3 -4.604 -1.422 -0.470 24 2HB LEU 3 1HB LEU 3 -4.468 -0.755 -2.080 25 HG LEU 3 HG LEU 3 -6.647 -0.050 -0.121 26 1HD1 LEU 3 1HD1 LEU 3 -5.398 2.186 -0.174 27 2HD1 LEU 3 2HD1 LEU 3 -4.028 1.243 -0.762 28 3HD1 LEU 3 3HD1 LEU 3 -4.739 0.882 0.811 29 1HD2 LEU 3 1HD2 LEU 3 -6.316 1.920 -2.095 30 2HD2 LEU 3 2HD2 LEU 3 -7.683 0.827 -1.875 31 3HD2 LEU 3 3HD2 LEU 3 -6.352 0.372 -2.940 32 H ALA 4 H ALA 4 -5.434 -2.645 -4.245 33 HA ALA 4 HA ALA 4 -4.577 -5.350 -3.816 34 1HB ALA 4 1HB ALA 4 -3.754 -4.638 -6.360 35 2HB ALA 4 2HB ALA 4 -5.190 -3.653 -6.082 36 3HB ALA 4 3HB ALA 4 -5.280 -5.407 -5.926 37 H GLU 5 H GLU 5 -2.430 -5.866 -5.221 38 HA GLU 5 HA GLU 5 -0.307 -4.889 -3.619 39 1HB GLU 5 2HB GLU 5 1.122 -6.304 -5.092 40 2HB GLU 5 1HB GLU 5 -0.215 -7.162 -4.342 41 1HG GLU 5 2HG GLU 5 -1.481 -6.935 -6.458 42 2HG GLU 5 1HG GLU 5 -0.050 -6.208 -7.189 43 H ALA 6 H ALA 6 1.287 -3.557 -4.064 44 HA ALA 6 HA ALA 6 2.384 -1.770 -4.895 45 1HB ALA 6 1HB ALA 6 2.789 -1.690 -7.331 46 2HB ALA 6 2HB ALA 6 1.612 -2.985 -7.551 47 3HB ALA 6 3HB ALA 6 3.097 -3.287 -6.648 48 H ALA 7 H ALA 7 -0.172 -1.311 -4.032 49 HA ALA 7 HA ALA 7 -1.122 0.730 -5.950 50 1HB ALA 7 1HB ALA 7 -2.657 -1.259 -5.462 51 2HB ALA 7 2HB ALA 7 -3.348 0.358 -5.319 52 3HB ALA 7 3HB ALA 7 -2.882 -0.534 -3.870 53 H ASP 8 H ASP 8 -1.658 2.778 -5.137 54 HA ASP 8 HA ASP 8 -0.178 3.656 -2.915 55 1HB ASP 8 2HB ASP 8 -1.243 5.813 -3.236 56 2HB ASP 8 1HB ASP 8 -0.820 5.125 -4.798 57 H CYS 9 H CYS 9 -0.839 4.428 -0.878 58 HA CYS 9 HA CYS 9 -3.521 3.753 0.021 59 1HB CYS 9 2HB CYS 9 -2.411 2.637 2.087 60 2HB CYS 9 1HB CYS 9 -2.631 1.709 0.614 61 H SER 10 H SER 10 -4.112 4.627 1.978 62 HA SER 10 HA SER 10 -2.503 6.944 2.816 63 1HB SER 10 2HB SER 10 -4.743 7.465 1.850 64 2HB SER 10 1HB SER 10 -5.490 6.489 3.113 65 HG SER 10 HG SER 10 -5.111 8.970 3.305 66 HA PRO 11 HA PRO 11 -1.656 4.939 6.640 67 1HB PRO 11 2HB PRO 11 -1.711 7.217 8.245 68 2HB PRO 11 1HB PRO 11 -0.313 6.617 7.348 69 1HG PRO 11 2HG PRO 11 -2.247 8.772 6.627 70 2HG PRO 11 1HG PRO 11 -0.499 8.687 6.343 71 1HD PRO 11 2HD PRO 11 -2.247 8.244 4.373 72 2HD PRO 11 1HD PRO 11 -0.736 7.321 4.491 73 H TRP 12 H TRP 12 -4.368 7.229 6.519 74 HA TRP 12 HA TRP 12 -5.842 5.440 8.310 75 1HB TRP 12 2HB TRP 12 -5.699 8.440 8.685 76 2HB TRP 12 1HB TRP 12 -6.775 7.362 9.563 77 HD1 TRP 12 HD TRP 12 -5.535 5.574 11.264 78 HE1 TRP 12 1HE TRP 12 -3.380 5.861 12.639 79 HE3 TRP 12 3HE TRP 12 -3.475 9.515 8.739 80 HZ2 TRP 12 2HZ TRP 12 -1.111 7.540 12.660 81 HZ3 TRP 12 3HZ TRP 12 -1.314 10.406 9.506 82 HH2 TRP 12 HH TRP 12 -0.158 9.439 11.426 83 H SER 13 H SER 13 -6.098 8.372 6.317 84 HA SER 13 HA SER 13 -8.893 7.993 5.831 85 1HB SER 13 2HB SER 13 -6.993 9.832 4.370 86 2HB SER 13 1HB SER 13 -8.743 9.997 4.524 87 HG SER 13 HG SER 13 -8.465 10.368 6.736 88 H GLY 14 H GLY 14 -8.105 5.639 5.054 89 1HA GLY 14 2HA GLY 14 -8.752 5.517 2.299 90 2HA GLY 14 1HA GLY 14 -7.025 5.277 2.514 91 H ASP 15 H ASP 15 -8.859 3.386 1.466 92 HA ASP 15 HA ASP 15 -9.724 1.442 3.284 93 1HB ASP 15 2HB ASP 15 -8.914 1.298 0.388 94 2HB ASP 15 1HB ASP 15 -9.417 -0.135 1.268 95 H SER 16 H SER 16 -8.802 -0.525 3.930 96 HA SER 16 HA SER 16 -5.960 -0.408 4.380 97 1HB SER 16 2HB SER 16 -7.760 -2.742 5.009 98 2HB SER 16 1HB SER 16 -6.275 -2.261 5.825 99 HG SER 16 HG SER 16 -7.779 -0.193 6.073 100 H CYS 17 H CYS 17 -4.428 -1.845 3.557 101 HA CYS 17 HA CYS 17 -4.801 -2.695 0.894 102 1HB CYS 17 2HB CYS 17 -2.644 -3.681 2.767 103 2HB CYS 17 1HB CYS 17 -2.568 -3.533 1.015 104 H CYS 18 H CYS 18 -5.065 -4.740 0.009 105 HA CYS 18 HA CYS 18 -6.545 -6.664 1.471 106 1HB CYS 18 2HB CYS 18 -5.032 -7.071 -1.128 107 2HB CYS 18 1HB CYS 18 -6.316 -8.093 -0.504 108 H LYS 19 H LYS 19 -5.880 -8.570 2.393 109 HA LYS 19 HA LYS 19 -3.116 -8.623 3.158 110 1HB LYS 19 2HB LYS 19 -5.258 -10.646 3.787 111 2HB LYS 19 1HB LYS 19 -3.729 -10.440 4.603 112 1HG LYS 19 2HG LYS 19 -4.406 -8.269 5.426 113 2HG LYS 19 1HG LYS 19 -5.935 -8.402 4.558 114 1HD LYS 19 2HD LYS 19 -6.598 -10.275 5.925 115 2HD LYS 19 1HD LYS 19 -5.022 -10.298 6.719 116 1HE LYS 19 2HE LYS 19 -6.728 -9.230 8.119 117 2HE LYS 19 1HE LYS 19 -5.449 -8.102 7.672 118 1HZ LYS 19 1HZ LYS 19 -7.849 -7.308 7.507 119 2HZ LYS 19 2HZ LYS 19 -7.958 -8.267 6.119 120 3HZ LYS 19 3HZ LYS 19 -6.839 -7.000 6.185 121 HA PRO 20 HA PRO 20 -1.883 -9.941 3.938 122 1HB PRO 20 2HB PRO 20 0.477 -11.187 3.754 123 2HB PRO 20 1HB PRO 20 -1.012 -12.082 4.081 124 1HG PRO 20 2HG PRO 20 0.597 -11.939 1.597 125 2HG PRO 20 1HG PRO 20 -0.454 -13.238 2.184 126 1HD PRO 20 2HD PRO 20 -1.074 -11.194 0.267 127 2HD PRO 20 1HD PRO 20 -2.140 -12.475 0.879 128 H TYR 21 H TYR 21 -1.772 -8.286 1.419 129 HA TYR 21 HA TYR 21 0.961 -7.390 1.208 130 1HB TYR 21 2HB TYR 21 -1.481 -5.949 0.155 131 2HB TYR 21 1HB TYR 21 0.185 -5.789 -0.383 132 HD1 TYR 21 1HD TYR 21 -2.885 -7.701 -0.703 133 HD2 TYR 21 2HD TYR 21 1.254 -7.613 -1.665 134 HE1 TYR 21 1HE TYR 21 -3.254 -9.423 -2.420 135 HE2 TYR 21 2HE TYR 21 0.899 -9.330 -3.384 136 HH TYR 21 HH TYR 21 -0.994 -10.137 -4.810 137 H LEU 22 H LEU 22 1.834 -5.475 1.943 138 HA LEU 22 HA LEU 22 0.273 -4.128 4.049 139 1HB LEU 22 2HB LEU 22 2.008 -5.529 4.997 140 2HB LEU 22 1HB LEU 22 3.215 -4.783 3.970 141 HG LEU 22 HG LEU 22 2.802 -2.620 5.161 142 1HD1 LEU 22 1HD1 LEU 22 0.769 -2.613 6.166 143 2HD1 LEU 22 2HD1 LEU 22 1.733 -3.171 7.534 144 3HD1 LEU 22 3HD1 LEU 22 0.830 -4.331 6.559 145 1HD2 LEU 22 1HD2 LEU 22 4.363 -3.106 6.732 146 2HD2 LEU 22 2HD2 LEU 22 4.469 -4.599 5.799 147 3HD2 LEU 22 3HD2 LEU 22 3.520 -4.553 7.285 148 H CYS 23 H CYS 23 0.362 -1.939 4.199 149 HA CYS 23 HA CYS 23 1.083 -0.443 1.879 150 1HB CYS 23 2HB CYS 23 -0.845 0.137 3.315 151 2HB CYS 23 1HB CYS 23 0.255 0.500 4.637 152 H SER 24 H SER 24 3.051 0.354 1.411 153 HA SER 24 HA SER 24 4.990 0.536 3.605 154 1HB SER 24 2HB SER 24 6.738 0.380 1.881 155 2HB SER 24 1HB SER 24 5.631 -0.988 1.787 156 HG SER 24 HG SER 24 4.528 0.253 0.103 157 H CYS 25 H CYS 25 5.742 2.415 4.238 158 HA CYS 25 HA CYS 25 5.244 4.795 2.579 159 1HB CYS 25 2HB CYS 25 5.420 4.555 5.595 160 2HB CYS 25 1HB CYS 25 5.277 6.076 4.722 161 H ILE 26 H ILE 26 7.343 3.826 1.668 162 HA ILE 26 HA ILE 26 9.726 4.086 3.201 163 HB ILE 26 HB ILE 26 9.521 2.481 1.403 164 1HG1 ILE 26 2HG1 ILE 26 11.709 2.942 0.284 165 2HG1 ILE 26 1HG1 ILE 26 11.697 4.536 1.015 166 1HG2 ILE 26 1HG2 ILE 26 9.769 3.279 -0.973 167 2HG2 ILE 26 2HG2 ILE 26 9.356 4.889 -0.382 168 3HG2 ILE 26 3HG2 ILE 26 8.200 3.568 -0.219 169 1HD1 ILE 26 1HD1 ILE 26 11.265 2.487 2.992 170 2HD1 ILE 26 2HD1 ILE 26 12.503 3.741 2.916 171 3HD1 ILE 26 3HD1 ILE 26 12.752 2.205 2.086 172 H PHE 27 H PHE 27 8.735 6.348 3.671 173 HA PHE 27 HA PHE 27 9.007 8.596 3.744 174 1HB PHE 27 2HB PHE 27 11.646 7.757 2.562 175 2HB PHE 27 1HB PHE 27 11.295 9.429 2.983 176 HD1 PHE 27 1HD PHE 27 12.276 10.086 4.928 177 HD2 PHE 27 2HD PHE 27 10.797 6.106 4.641 178 HE1 PHE 27 1HE PHE 27 12.985 9.660 7.244 179 HE2 PHE 27 2HE PHE 27 11.501 5.674 6.959 180 HZ PHE 27 HZ PHE 27 12.596 7.452 8.263 181 H PHE 28 H PHE 28 7.807 7.433 1.241 182 HA PHE 28 HA PHE 28 8.147 9.846 -0.401 183 1HB PHE 28 2HB PHE 28 8.055 6.996 -1.303 184 2HB PHE 28 1HB PHE 28 7.454 8.259 -2.355 185 HD1 PHE 28 1HD PHE 28 8.904 8.819 -4.009 186 HD2 PHE 28 2HD PHE 28 10.478 7.825 -0.185 187 HE1 PHE 28 1HE PHE 28 11.180 9.232 -4.843 188 HE2 PHE 28 2HE PHE 28 12.756 8.239 -1.009 189 HZ PHE 28 HZ PHE 28 13.111 8.944 -3.342 190 H TYR 29 H TYR 29 6.358 10.832 -0.946 191 HA TYR 29 HA TYR 29 3.818 9.765 0.011 192 1HB TYR 29 2HB TYR 29 4.520 12.097 0.593 193 2HB TYR 29 1HB TYR 29 4.435 12.509 -1.115 194 HD1 TYR 29 1HD TYR 29 2.560 13.705 -1.702 195 HD2 TYR 29 2HD TYR 29 2.226 10.779 1.368 196 HE1 TYR 29 1HE TYR 29 0.176 14.251 -1.449 197 HE2 TYR 29 2HE TYR 29 -0.159 11.314 1.627 198 HH TYR 29 HH TYR 29 -1.606 14.056 0.094 199 HA PRO 30 HA PRO 30 2.120 9.265 -0.164 200 1HB PRO 30 2HB PRO 30 0.112 7.740 -1.040 201 2HB PRO 30 1HB PRO 30 0.084 9.493 -1.256 202 1HG PRO 30 2HG PRO 30 0.558 7.355 -3.248 203 2HG PRO 30 1HG PRO 30 -0.106 8.980 -3.476 204 1HD PRO 30 2HD PRO 30 2.580 8.096 -3.933 205 2HD PRO 30 1HD PRO 30 1.930 9.737 -4.112 206 H CYS 31 H CYS 31 1.314 7.021 0.719 207 HA CYS 31 HA CYS 31 3.533 5.202 0.491 208 1HB CYS 31 2HB CYS 31 0.937 4.884 2.018 209 2HB CYS 31 1HB CYS 31 2.400 3.933 2.241 210 H SER 32 H SER 32 3.072 2.801 0.129 211 HA SER 32 HA SER 32 0.757 2.299 -1.560 212 1HB SER 32 2HB SER 32 2.357 1.294 -3.325 213 2HB SER 32 1HB SER 32 2.160 3.047 -3.278 214 HG SER 32 HG SER 32 4.085 3.027 -1.886 215 H CYS 33 H CYS 33 0.001 0.288 -1.347 216 HA CYS 33 HA CYS 33 1.197 -1.517 0.499 217 1HB CYS 33 2HB CYS 33 -0.964 -2.307 -1.445 218 2HB CYS 33 1HB CYS 33 -0.689 -2.885 0.190 219 H ARG 34 H ARG 34 2.495 -3.160 0.138 220 HA ARG 34 HA ARG 34 3.073 -3.953 -2.643 221 1HB ARG 34 2HB ARG 34 5.072 -3.753 -0.377 222 2HB ARG 34 1HB ARG 34 5.422 -4.184 -2.042 223 1HG ARG 34 2HG ARG 34 4.310 -1.512 -1.234 224 2HG ARG 34 1HG ARG 34 6.037 -1.850 -1.371 225 1HD ARG 34 2HD ARG 34 5.849 -2.303 -3.689 226 2HD ARG 34 1HD ARG 34 4.087 -2.321 -3.612 227 HE ARG 34 HE ARG 34 4.901 0.193 -2.769 228 1HH1 ARG 34 1HH1 ARG 34 5.128 -1.732 -5.683 229 2HH1 ARG 34 2HH1 ARG 34 5.095 -0.366 -6.744 230 1HH2 ARG 34 1HH2 ARG 34 4.843 1.997 -4.151 231 2HH2 ARG 34 2HH2 ARG 34 4.942 1.768 -5.872 232 HA PRO 35 HA PRO 35 2.414 -8.138 -1.394 233 1HB PRO 35 2HB PRO 35 4.677 -9.413 -2.331 234 2HB PRO 35 1HB PRO 35 3.267 -9.014 -3.318 235 1HG PRO 35 2HG PRO 35 5.869 -7.568 -3.051 236 2HG PRO 35 1HG PRO 35 4.882 -7.846 -4.498 237 1HD PRO 35 2HD PRO 35 4.899 -5.477 -3.230 238 2HD PRO 35 1HD PRO 35 3.427 -6.115 -3.989 239 H LYS 36 H LYS 36 3.020 -9.668 0.206 240 HA LYS 36 HA LYS 36 4.681 -8.552 2.259 241 1HB LYS 36 2HB LYS 36 2.601 -9.792 2.763 242 2HB LYS 36 1HB LYS 36 3.332 -11.256 2.117 243 1HG LYS 36 2HG LYS 36 5.045 -11.171 3.866 244 2HG LYS 36 1HG LYS 36 4.293 -9.715 4.520 245 1HD LYS 36 2HD LYS 36 2.234 -10.969 4.946 246 2HD LYS 36 1HD LYS 36 2.986 -12.425 4.289 247 1HE LYS 36 2HE LYS 36 4.686 -12.334 6.052 248 2HE LYS 36 1HE LYS 36 3.922 -10.887 6.709 249 1HZ LYS 36 1HZ LYS 36 3.373 -13.175 7.725 250 2HZ LYS 36 2HZ LYS 36 2.359 -13.362 6.386 251 3HZ LYS 36 3HZ LYS 36 2.114 -12.077 7.458 252 H GLY 37 H GLY 37 6.786 -8.717 2.276 253 1HA GLY 37 2HA GLY 37 8.781 -10.020 2.479 254 2HA GLY 37 1HA GLY 37 8.054 -11.227 1.423 255 H TRP 38 H TRP 38 8.318 -7.717 1.075 256 HA TRP 38 HA TRP 38 9.233 -8.017 -1.637 257 1HB TRP 38 2HB TRP 38 9.034 -5.587 -1.768 258 2HB TRP 38 1HB TRP 38 7.585 -6.272 -1.046 259 HD1 TRP 38 HD TRP 38 10.869 -4.583 0.166 260 HE1 TRP 38 1HE TRP 38 10.319 -3.169 2.240 261 HE3 TRP 38 3HE TRP 38 5.911 -5.736 0.652 262 HZ2 TRP 38 2HZ TRP 38 8.083 -2.606 3.865 263 HZ3 TRP 38 3HZ TRP 38 4.639 -4.714 2.492 264 HH2 TRP 38 HH TRP 38 5.703 -3.182 4.065
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