NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279401 | 2k72 | 15900 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H TYR 1 4.826 13.357 0.078 2 HA TYR 1 HA TYR 1 3.438 11.566 0.753 3 HB2 TYR 1 2HB TYR 1 1.730 14.028 0.852 4 HB3 TYR 1 1HB TYR 1 0.955 12.460 1.081 5 HD1 TYR 1 2HD TYR 1 2.931 10.879 2.490 6 HD2 TYR 1 1HD TYR 1 1.949 15.035 2.958 7 HE1 TYR 1 2HE TYR 1 3.757 10.812 4.826 8 HE2 TYR 1 1HE TYR 1 2.779 14.968 5.293 9 HH TYR 1 HH TYR 1 3.705 11.945 6.825 10 H GLY 2 H GLY 2 0.879 10.841 0.014 11 HA2 GLY 2 2HA GLY 2 -0.306 11.134 -2.350 12 HA3 GLY 2 1HA GLY 2 1.216 10.438 -2.905 13 H CYS 3 H CYS 3 1.001 8.989 -0.059 14 HA CYS 3 HA CYS 3 0.498 6.400 -0.824 15 HB2 CYS 3 2HB CYS 3 0.868 7.738 1.514 16 HB3 CYS 3 1HB CYS 3 -0.816 7.243 1.705 17 H LEU 4 H LEU 4 -1.162 5.944 -2.306 18 HA LEU 4 HA LEU 4 -3.930 6.112 -1.290 19 HB2 LEU 4 2HB LEU 4 -4.127 8.135 -2.342 20 HB3 LEU 4 1HB LEU 4 -2.674 7.877 -3.298 21 HG LEU 4 HG LEU 4 -4.320 6.118 -4.531 22 HD11 LEU 4 1HD1 LEU 4 -6.223 6.684 -3.051 23 HD12 LEU 4 2HD1 LEU 4 -6.556 7.119 -4.727 24 HD13 LEU 4 3HD1 LEU 4 -6.106 8.367 -3.564 25 HD21 LEU 4 3HD2 LEU 4 -4.906 8.175 -6.035 26 HD22 LEU 4 1HD2 LEU 4 -3.220 7.684 -5.864 27 HD23 LEU 4 2HD2 LEU 4 -3.840 9.051 -4.938 28 H ASP 5 H ASP 5 -4.755 4.126 -1.698 29 HA ASP 5 HA ASP 5 -3.618 2.473 -3.893 30 HB2 ASP 5 2HB ASP 5 -4.732 0.669 -2.693 31 HB3 ASP 5 1HB ASP 5 -3.879 1.674 -1.520 32 H ARG 6 H ARG 6 -5.519 1.020 -4.948 33 HA ARG 6 HA ARG 6 -7.929 2.704 -5.462 34 HB2 ARG 6 2HB ARG 6 -7.487 2.199 -7.949 35 HB3 ARG 6 1HB ARG 6 -6.434 3.390 -7.184 36 HG2 ARG 6 2HG ARG 6 -4.616 1.938 -7.115 37 HG3 ARG 6 1HG ARG 6 -5.636 0.498 -7.144 38 HD2 ARG 6 2HD ARG 6 -5.787 2.280 -9.532 39 HD3 ARG 6 1HD ARG 6 -4.307 1.322 -9.333 40 HE ARG 6 HE ARG 6 -6.542 -0.359 -8.780 41 HH11 ARG 6 1HH2 ARG 6 -5.036 1.359 -11.368 42 HH12 ARG 6 2HH2 ARG 6 -5.542 0.232 -12.582 43 HH21 ARG 6 1HH1 ARG 6 -7.210 -1.834 -10.355 44 HH22 ARG 6 2HH1 ARG 6 -6.772 -1.572 -12.010 45 H ILE 7 H ILE 7 -7.130 -0.097 -4.275 46 HA ILE 7 HA ILE 7 -9.354 -1.544 -5.634 47 HB ILE 7 HB ILE 7 -7.849 -3.563 -5.727 48 HG12 ILE 7 2HG1 ILE 7 -5.901 -1.492 -4.718 49 HG13 ILE 7 1HG1 ILE 7 -6.161 -3.138 -4.142 50 HG21 ILE 7 1HG2 ILE 7 -8.154 -1.554 -7.522 51 HG22 ILE 7 2HG2 ILE 7 -7.173 -2.985 -7.837 52 HG23 ILE 7 3HG2 ILE 7 -6.406 -1.493 -7.294 53 HD11 ILE 7 3HD1 ILE 7 -4.042 -2.882 -5.440 54 HD12 ILE 7 1HD1 ILE 7 -5.001 -2.445 -6.854 55 HD13 ILE 7 2HD1 ILE 7 -5.149 -4.056 -6.153 56 H PHE 8 H PHE 8 -9.930 -3.566 -4.321 57 HA PHE 8 HA PHE 8 -9.554 -2.985 -1.405 58 HB2 PHE 8 2HB PHE 8 -11.823 -3.226 -2.997 59 HB3 PHE 8 1HB PHE 8 -11.719 -4.796 -2.190 60 HD1 PHE 8 1HD PHE 8 -10.298 -3.846 0.331 61 HD2 PHE 8 2HD PHE 8 -13.692 -2.302 -1.801 62 HE1 PHE 8 1HE PHE 8 -11.154 -2.833 2.427 63 HE2 PHE 8 2HE PHE 8 -14.548 -1.290 0.295 64 HZ PHE 8 HZ PHE 8 -13.280 -1.557 2.409 65 H VAL 9 H VAL 9 -8.235 -4.924 -3.648 66 HA VAL 9 HA VAL 9 -8.471 -7.505 -2.224 67 HB VAL 9 HB VAL 9 -8.440 -7.170 -4.736 68 HG11 VAL 9 1HG1 VAL 9 -6.629 -5.395 -4.592 69 HG12 VAL 9 2HG1 VAL 9 -6.366 -6.632 -5.821 70 HG13 VAL 9 3HG1 VAL 9 -5.482 -6.702 -4.297 71 HG21 VAL 9 3HG2 VAL 9 -6.724 -9.011 -3.167 72 HG22 VAL 9 1HG2 VAL 9 -6.364 -8.922 -4.890 73 HG23 VAL 9 2HG2 VAL 9 -7.979 -9.378 -4.350 74 H CYS 10 H CYS 10 -7.130 -5.101 -0.952 75 HA CYS 10 HA CYS 10 -4.267 -5.770 -0.920 76 HB2 CYS 10 2HB CYS 10 -5.923 -3.865 0.767 77 HB3 CYS 10 1HB CYS 10 -4.165 -3.837 0.578 78 H THR 11 H THR 11 -6.956 -5.847 1.467 79 HA THR 11 HA THR 11 -5.675 -6.836 3.717 80 HB THR 11 HB THR 11 -8.247 -8.013 2.650 81 HG1 THR 11 1HG THR 11 -9.235 -6.135 3.038 82 HG21 THR 11 3HG2 THR 11 -8.154 -8.864 4.749 83 HG22 THR 11 1HG2 THR 11 -8.611 -7.239 5.260 84 HG23 THR 11 2HG2 THR 11 -6.913 -7.716 5.255 85 H SER 12 H SER 12 -6.665 -8.704 0.848 86 HA SER 12 HA SER 12 -5.795 -11.270 1.878 87 HB2 SER 12 2HB SER 12 -5.976 -10.528 -1.033 88 HB3 SER 12 1HB SER 12 -6.469 -12.023 -0.243 89 HG SER 12 HG SER 12 -8.347 -11.002 -0.497 90 H TRP 13 H TRP 13 -4.315 -8.756 -0.155 91 HA TRP 13 HA TRP 13 -1.913 -10.242 -0.780 92 HB2 TRP 13 2HB TRP 13 -2.704 -7.317 -0.766 93 HB3 TRP 13 1HB TRP 13 -1.140 -7.877 -1.361 94 HD1 TRP 13 HD TRP 13 -3.089 -10.626 -2.326 95 HE1 TRP 13 1HE TRP 13 -4.071 -10.402 -4.701 96 HE3 TRP 13 3HE TRP 13 -2.518 -5.608 -3.040 97 HZ2 TRP 13 2HZ TRP 13 -4.550 -8.353 -6.648 98 HZ3 TRP 13 3HZ TRP 13 -3.240 -4.547 -5.154 99 HH2 TRP 13 HH TRP 13 -4.259 -5.905 -6.958 100 H ALA 14 H ALA 14 -2.738 -7.794 1.678 101 HA ALA 14 HA ALA 14 -0.237 -7.391 2.880 102 HB1 ALA 14 1HB ALA 14 -2.170 -6.118 3.507 103 HB2 ALA 14 2HB ALA 14 -1.697 -7.016 4.949 104 HB3 ALA 14 3HB ALA 14 -3.056 -7.570 3.971 105 H ARG 15 H ARG 15 -2.571 -10.031 3.457 106 HA ARG 15 HA ARG 15 -0.770 -11.303 5.422 107 HB2 ARG 15 2HB ARG 15 -2.642 -12.850 5.665 108 HB3 ARG 15 1HB ARG 15 -3.263 -11.199 5.635 109 HG2 ARG 15 2HG ARG 15 -3.915 -11.414 3.318 110 HG3 ARG 15 1HG ARG 15 -3.114 -12.983 3.189 111 HD2 ARG 15 2HD ARG 15 -5.652 -13.075 3.535 112 HD3 ARG 15 1HD ARG 15 -4.697 -13.996 4.715 113 HE ARG 15 HE ARG 15 -5.179 -11.199 5.464 114 HH11 ARG 15 1HH2 ARG 15 -6.255 -14.483 5.584 115 HH12 ARG 15 2HH2 ARG 15 -7.149 -14.268 7.050 116 HH21 ARG 15 1HH1 ARG 15 -6.343 -10.913 7.368 117 HH22 ARG 15 2HH1 ARG 15 -7.202 -12.250 8.057 118 H LYS 16 H LYS 16 -0.840 -11.168 2.107 119 HA LYS 16 HA LYS 16 -0.105 -14.031 1.701 120 HB2 LYS 16 2HB LYS 16 -1.815 -12.832 0.287 121 HB3 LYS 16 1HB LYS 16 -0.522 -11.779 -0.289 122 HG2 LYS 16 2HG LYS 16 -0.505 -13.411 -1.942 123 HG3 LYS 16 1HG LYS 16 0.679 -14.079 -0.819 124 HD2 LYS 16 2HD LYS 16 -1.380 -15.243 0.284 125 HD3 LYS 16 1HD LYS 16 -2.182 -14.907 -1.251 126 HE2 LYS 16 2HE LYS 16 0.185 -15.937 -2.145 127 HE3 LYS 16 1HE LYS 16 -0.039 -16.858 -0.644 128 HZ1 LYS 16 3HZ LYS 16 -2.188 -17.517 -1.301 129 HZ2 LYS 16 1HZ LYS 16 -1.211 -17.774 -2.662 130 HZ3 LYS 16 2HZ LYS 16 -2.228 -16.415 -2.594 131 H GLY 17 H GLY 17 1.431 -11.172 2.474 132 HA2 GLY 17 2HA GLY 17 3.808 -10.898 2.634 133 HA3 GLY 17 1HA GLY 17 4.010 -12.215 1.471 134 H PHE 18 H PHE 18 1.631 -10.027 0.471 135 HA PHE 18 HA PHE 18 2.984 -9.232 -1.897 136 HB2 PHE 18 2HB PHE 18 0.476 -8.921 -0.607 137 HB3 PHE 18 1HB PHE 18 1.022 -7.303 -1.046 138 HD1 PHE 18 1HD PHE 18 1.698 -6.828 -3.432 139 HD2 PHE 18 2HD PHE 18 -0.254 -10.471 -2.264 140 HE1 PHE 18 1HE PHE 18 1.094 -7.262 -5.798 141 HE2 PHE 18 2HE PHE 18 -0.858 -10.905 -4.629 142 HZ PHE 18 HZ PHE 18 -0.184 -9.301 -6.396 143 H CYS 19 H CYS 19 3.179 -7.970 1.340 144 HA CYS 19 HA CYS 19 4.321 -5.387 0.440 145 HB2 CYS 19 2HB CYS 19 4.114 -6.465 3.261 146 HB3 CYS 19 1HB CYS 19 4.119 -4.783 2.738 147 H ASP 20 H ASP 20 5.640 -8.180 0.116 148 HA ASP 20 HA ASP 20 8.308 -7.320 1.118 149 HB2 ASP 20 2HB ASP 20 6.645 -9.623 2.010 150 HB3 ASP 20 1HB ASP 20 8.372 -9.933 1.798 151 H VAL 21 H VAL 21 6.443 -9.722 -0.764 152 HA VAL 21 HA VAL 21 8.874 -10.214 -2.434 153 HB VAL 21 HB VAL 21 7.733 -12.262 -3.057 154 HG11 VAL 21 1HG1 VAL 21 8.784 -12.538 -0.956 155 HG12 VAL 21 2HG1 VAL 21 7.148 -13.138 -0.691 156 HG13 VAL 21 3HG1 VAL 21 7.598 -11.527 -0.132 157 HG21 VAL 21 3HG2 VAL 21 5.428 -12.715 -2.205 158 HG22 VAL 21 1HG2 VAL 21 5.479 -11.359 -3.329 159 HG23 VAL 21 2HG2 VAL 21 5.357 -11.062 -1.596 160 H ARG 22 H ARG 22 5.409 -9.381 -2.680 161 HA ARG 22 HA ARG 22 5.798 -8.713 -5.561 162 HB2 ARG 22 2HB ARG 22 3.680 -9.712 -3.834 163 HB3 ARG 22 1HB ARG 22 3.127 -8.339 -4.791 164 HG2 ARG 22 2HG ARG 22 2.834 -10.573 -5.929 165 HG3 ARG 22 1HG ARG 22 3.792 -9.413 -6.849 166 HD2 ARG 22 2HD ARG 22 5.873 -10.474 -6.092 167 HD3 ARG 22 1HD ARG 22 4.946 -11.603 -5.083 168 HE ARG 22 HE ARG 22 5.195 -11.728 -7.990 169 HH11 ARG 22 1HH2 ARG 22 3.286 -12.450 -5.202 170 HH12 ARG 22 2HH2 ARG 22 2.439 -13.752 -5.964 171 HH21 ARG 22 1HH1 ARG 22 4.091 -13.423 -8.989 172 HH22 ARG 22 2HH1 ARG 22 2.891 -14.301 -8.101 173 H GLN 23 H GLN 23 6.086 -7.167 -2.641 174 HA GLN 23 HA GLN 23 4.662 -4.807 -2.610 175 HB2 GLN 23 2HB GLN 23 6.775 -3.817 -1.684 176 HB3 GLN 23 1HB GLN 23 6.411 -5.411 -1.011 177 HG2 GLN 23 2HG GLN 23 7.964 -6.448 -2.626 178 HG3 GLN 23 1HG GLN 23 8.328 -4.858 -3.298 179 HE21 GLN 23 1HE2 GLN 23 9.890 -3.587 -2.216 180 HE22 GLN 23 2HE2 GLN 23 10.628 -4.039 -0.755 181 H ARG 24 H ARG 24 7.383 -5.573 -4.781 182 HA ARG 24 HA ARG 24 7.945 -3.160 -6.002 183 HB2 ARG 24 2HB ARG 24 8.955 -5.341 -6.544 184 HB3 ARG 24 1HB ARG 24 7.451 -5.856 -7.309 185 HG2 ARG 24 2HG ARG 24 8.241 -3.309 -8.392 186 HG3 ARG 24 1HG ARG 24 9.594 -4.435 -8.502 187 HD2 ARG 24 2HD ARG 24 7.728 -6.110 -9.371 188 HD3 ARG 24 1HD ARG 24 6.892 -4.601 -9.788 189 HE ARG 24 HE ARG 24 9.729 -4.703 -10.561 190 HH11 ARG 24 1HH2 ARG 24 6.425 -5.242 -11.435 191 HH12 ARG 24 2HH2 ARG 24 6.715 -5.065 -13.131 192 HH21 ARG 24 1HH1 ARG 24 10.111 -4.476 -12.770 193 HH22 ARG 24 2HH1 ARG 24 8.796 -4.633 -13.886 194 H LEU 25 H LEU 25 5.010 -5.092 -6.384 195 HA LEU 25 HA LEU 25 3.965 -3.175 -8.413 196 HB2 LEU 25 2HB LEU 25 3.750 -5.496 -8.978 197 HB3 LEU 25 1HB LEU 25 3.141 -5.897 -7.372 198 HG LEU 25 HG LEU 25 1.411 -3.903 -8.356 199 HD11 LEU 25 1HD1 LEU 25 1.115 -4.222 -10.574 200 HD12 LEU 25 2HD1 LEU 25 1.155 -5.976 -10.400 201 HD13 LEU 25 3HD1 LEU 25 2.661 -5.069 -10.549 202 HD21 LEU 25 3HD2 LEU 25 1.361 -6.748 -7.592 203 HD22 LEU 25 1HD2 LEU 25 0.078 -6.286 -8.711 204 HD23 LEU 25 2HD2 LEU 25 0.243 -5.450 -7.168 205 H MET 26 H MET 26 3.422 -4.337 -5.115 206 HA MET 26 HA MET 26 0.879 -3.003 -4.722 207 HB2 MET 26 2HB MET 26 2.099 -4.966 -3.469 208 HB3 MET 26 1HB MET 26 2.850 -3.662 -2.547 209 HG2 MET 26 2HG MET 26 0.994 -3.517 -1.287 210 HG3 MET 26 1HG MET 26 0.085 -3.050 -2.724 211 HE1 MET 26 3HE MET 26 -0.342 -5.928 0.075 212 HE2 MET 26 1HE MET 26 -1.894 -5.427 -0.608 213 HE3 MET 26 2HE MET 26 -0.667 -4.222 -0.222 214 H LYS 27 H LYS 27 4.206 -1.977 -4.609 215 HA LYS 27 HA LYS 27 4.281 0.147 -2.827 216 HB2 LYS 27 2HB LYS 27 5.564 -0.692 -5.289 217 HB3 LYS 27 1HB LYS 27 5.467 1.067 -5.212 218 HG2 LYS 27 2HG LYS 27 6.265 -0.231 -2.682 219 HG3 LYS 27 1HG LYS 27 7.422 -0.415 -4.001 220 HD2 LYS 27 2HD LYS 27 7.643 1.938 -4.276 221 HD3 LYS 27 1HD LYS 27 6.219 2.264 -3.289 222 HE2 LYS 27 2HE LYS 27 7.522 1.111 -1.365 223 HE3 LYS 27 1HE LYS 27 8.953 1.350 -2.386 224 HZ1 LYS 27 3HZ LYS 27 8.970 3.432 -1.626 225 HZ2 LYS 27 1HZ LYS 27 7.431 3.290 -0.933 226 HZ3 LYS 27 2HZ LYS 27 7.586 3.708 -2.572 227 H ARG 28 H ARG 28 3.099 0.360 -6.214 228 HA ARG 28 HA ARG 28 1.860 2.990 -5.564 229 HB2 ARG 28 2HB ARG 28 1.869 3.306 -7.943 230 HB3 ARG 28 1HB ARG 28 3.412 2.555 -7.537 231 HG2 ARG 28 2HG ARG 28 1.723 0.382 -7.930 232 HG3 ARG 28 1HG ARG 28 1.227 1.523 -9.182 233 HD2 ARG 28 2HD ARG 28 4.153 1.330 -8.879 234 HD3 ARG 28 1HD ARG 28 3.385 -0.180 -9.408 235 HE ARG 28 HE ARG 28 3.552 2.250 -10.978 236 HH11 ARG 28 1HH2 ARG 28 1.587 -0.471 -10.163 237 HH12 ARG 28 2HH2 ARG 28 0.726 -0.459 -11.665 238 HH21 ARG 28 1HH1 ARG 28 2.429 2.268 -12.943 239 HH22 ARG 28 2HH1 ARG 28 1.200 1.082 -13.232 240 H LEU 29 H LEU 29 0.990 -0.329 -6.057 241 HA LEU 29 HA LEU 29 -1.720 0.163 -7.007 242 HB2 LEU 29 2HB LEU 29 0.050 -2.071 -6.274 243 HB3 LEU 29 1HB LEU 29 -1.652 -2.368 -5.905 244 HG LEU 29 HG LEU 29 -0.492 -1.563 -8.588 245 HD11 LEU 29 1HD1 LEU 29 -2.154 -3.872 -8.673 246 HD12 LEU 29 2HD1 LEU 29 -1.034 -4.082 -7.326 247 HD13 LEU 29 3HD1 LEU 29 -0.414 -3.781 -8.950 248 HD21 LEU 29 3HD2 LEU 29 -3.213 -1.374 -7.456 249 HD22 LEU 29 1HD2 LEU 29 -3.127 -2.194 -9.015 250 HD23 LEU 29 2HD2 LEU 29 -2.515 -0.549 -8.848 251 H CYS 30 H CYS 30 -0.440 -1.025 -3.860 252 HA CYS 30 HA CYS 30 -2.707 0.377 -2.511 253 HB2 CYS 30 2HB CYS 30 -3.053 -2.145 -3.141 254 HB3 CYS 30 1HB CYS 30 -1.966 -2.445 -1.781 255 HA PRO 31 HA PRO 31 1.389 0.722 -0.334 256 HB2 PRO 31 2HB PRO 31 1.385 3.457 -0.162 257 HB3 PRO 31 1HB PRO 31 2.051 2.579 -1.557 258 HG2 PRO 31 2HG PRO 31 -0.575 3.950 -1.258 259 HG3 PRO 31 1HG PRO 31 0.505 3.869 -2.661 260 HD2 PRO 31 2HD PRO 31 -1.752 2.352 -2.399 261 HD3 PRO 31 1HD PRO 31 -0.335 1.858 -3.355 262 H ARG 32 H ARG 32 -1.873 1.724 0.128 263 HA ARG 32 HA ARG 32 -1.697 2.899 2.746 264 HB2 ARG 32 2HB ARG 32 -3.853 1.452 1.184 265 HB3 ARG 32 1HB ARG 32 -4.160 2.221 2.741 266 HG2 ARG 32 2HG ARG 32 -3.155 4.346 1.726 267 HG3 ARG 32 1HG ARG 32 -3.279 3.534 0.166 268 HD2 ARG 32 2HD ARG 32 -5.303 4.825 0.429 269 HD3 ARG 32 1HD ARG 32 -5.754 3.135 0.731 270 HE ARG 32 HE ARG 32 -4.935 4.147 3.214 271 HH11 ARG 32 1HH2 ARG 32 -7.308 4.854 0.803 272 HH12 ARG 32 2HH2 ARG 32 -8.458 5.479 1.936 273 HH21 ARG 32 1HH1 ARG 32 -6.427 4.965 4.697 274 HH22 ARG 32 2HH1 ARG 32 -7.962 5.543 4.136 275 H SER 33 H SER 33 -2.330 -0.444 1.646 276 HA SER 33 HA SER 33 -2.584 -1.531 4.324 277 HB2 SER 33 2HB SER 33 -3.638 -2.654 2.501 278 HB3 SER 33 1HB SER 33 -2.155 -2.642 1.543 279 HG SER 33 HG SER 33 -2.647 -4.078 3.950 280 H CYS 34 H CYS 34 -0.079 -2.289 1.867 281 HA CYS 34 HA CYS 34 1.807 -3.336 3.739 282 HB2 CYS 34 2HB CYS 34 2.166 -2.058 1.005 283 HB3 CYS 34 1HB CYS 34 3.374 -3.054 1.817 284 H ASP 35 H ASP 35 0.851 -0.108 3.114 285 HA ASP 35 HA ASP 35 1.595 1.911 4.108 286 HB2 ASP 35 2HB ASP 35 2.183 -0.040 5.871 287 HB3 ASP 35 1HB ASP 35 3.824 0.489 5.483 288 H PHE 36 H PHE 36 2.447 1.568 1.565 289 HA PHE 36 HA PHE 36 5.407 1.845 1.495 290 HB2 PHE 36 2HB PHE 36 3.174 1.446 -0.495 291 HB3 PHE 36 1HB PHE 36 4.785 1.929 -1.039 292 HD1 PHE 36 2HD PHE 36 6.714 0.533 0.400 293 HD2 PHE 36 1HD PHE 36 2.785 -0.835 -0.668 294 HE1 PHE 36 2HE PHE 36 7.483 -1.819 0.580 295 HE2 PHE 36 1HE PHE 36 3.551 -3.182 -0.489 296 HZ PHE 36 HZ PHE 36 5.903 -3.678 0.136 297 H CYS 37 H CYS 37 3.282 3.925 2.479 298 HA CYS 37 HA CYS 37 2.987 6.127 0.813 299 HB2 CYS 37 2HB CYS 37 3.899 6.162 3.709 300 HB3 CYS 37 1HB CYS 37 3.005 7.438 2.883 301 HXT CYS 37 2H CYS 37 6.868 6.763 2.075 Start of MODEL 2 1 H1 TYR 1 H TYR 1 1.141 10.774 4.307 2 HA TYR 1 HA TYR 1 -1.472 10.562 3.728 3 HB2 TYR 1 2HB TYR 1 -0.260 12.235 5.229 4 HB3 TYR 1 1HB TYR 1 -0.138 13.280 3.814 5 HD1 TYR 1 2HD TYR 1 -2.816 11.091 5.290 6 HD2 TYR 1 1HD TYR 1 -1.733 14.969 3.791 7 HE1 TYR 1 2HE TYR 1 -5.135 11.887 5.667 8 HE2 TYR 1 1HE TYR 1 -4.050 15.762 4.169 9 HH TYR 1 HH TYR 1 -6.623 13.568 5.049 10 H GLY 2 H GLY 2 0.596 10.779 1.247 11 HA2 GLY 2 2HA GLY 2 -1.303 12.324 -0.476 12 HA3 GLY 2 1HA GLY 2 0.426 12.194 -0.806 13 H CYS 3 H CYS 3 0.936 9.529 -0.530 14 HA CYS 3 HA CYS 3 -0.113 8.414 -2.971 15 HB2 CYS 3 2HB CYS 3 1.550 7.477 -0.643 16 HB3 CYS 3 1HB CYS 3 1.056 6.332 -1.890 17 H LEU 4 H LEU 4 -1.436 6.470 -3.152 18 HA LEU 4 HA LEU 4 -2.914 5.474 -0.826 19 HB2 LEU 4 2HB LEU 4 -5.103 6.308 -1.711 20 HB3 LEU 4 1HB LEU 4 -4.022 7.620 -1.242 21 HG LEU 4 HG LEU 4 -3.517 6.883 -3.986 22 HD11 LEU 4 1HD1 LEU 4 -5.748 6.124 -4.242 23 HD12 LEU 4 2HD1 LEU 4 -5.792 7.799 -4.792 24 HD13 LEU 4 3HD1 LEU 4 -6.384 7.384 -3.183 25 HD21 LEU 4 3HD2 LEU 4 -4.878 9.435 -3.402 26 HD22 LEU 4 1HD2 LEU 4 -3.315 9.144 -4.164 27 HD23 LEU 4 2HD2 LEU 4 -3.453 9.137 -2.406 28 H ASP 5 H ASP 5 -4.572 3.821 -1.579 29 HA ASP 5 HA ASP 5 -3.456 2.313 -3.865 30 HB2 ASP 5 2HB ASP 5 -4.622 0.475 -2.849 31 HB3 ASP 5 1HB ASP 5 -3.931 1.414 -1.522 32 H ARG 6 H ARG 6 -5.299 1.068 -5.132 33 HA ARG 6 HA ARG 6 -7.726 2.706 -5.549 34 HB2 ARG 6 2HB ARG 6 -7.065 2.710 -8.075 35 HB3 ARG 6 1HB ARG 6 -6.307 3.884 -7.004 36 HG2 ARG 6 2HG ARG 6 -4.465 3.027 -8.156 37 HG3 ARG 6 1HG ARG 6 -4.469 2.021 -6.713 38 HD2 ARG 6 2HD ARG 6 -4.254 0.483 -8.529 39 HD3 ARG 6 1HD ARG 6 -5.968 0.404 -8.083 40 HE ARG 6 HE ARG 6 -5.691 2.515 -9.949 41 HH11 ARG 6 1HH2 ARG 6 -5.310 -0.913 -9.748 42 HH12 ARG 6 2HH2 ARG 6 -5.716 -1.183 -11.410 43 HH21 ARG 6 1HH1 ARG 6 -6.224 2.171 -12.114 44 HH22 ARG 6 2HH1 ARG 6 -6.235 0.559 -12.747 45 H ILE 7 H ILE 7 -7.065 -0.091 -4.703 46 HA ILE 7 HA ILE 7 -8.707 -1.491 -6.789 47 HB ILE 7 HB ILE 7 -7.235 -3.408 -6.629 48 HG12 ILE 7 2HG1 ILE 7 -6.066 -1.851 -4.320 49 HG13 ILE 7 1HG1 ILE 7 -6.630 -3.522 -4.351 50 HG21 ILE 7 1HG2 ILE 7 -5.407 -1.002 -6.726 51 HG22 ILE 7 2HG2 ILE 7 -6.564 -1.352 -8.012 52 HG23 ILE 7 3HG2 ILE 7 -5.283 -2.505 -7.641 53 HD11 ILE 7 3HD1 ILE 7 -4.198 -2.490 -5.837 54 HD12 ILE 7 1HD1 ILE 7 -4.747 -4.165 -5.773 55 HD13 ILE 7 2HD1 ILE 7 -4.150 -3.376 -4.314 56 H PHE 8 H PHE 8 -8.871 -3.965 -5.405 57 HA PHE 8 HA PHE 8 -9.856 -3.266 -2.684 58 HB2 PHE 8 2HB PHE 8 -12.001 -4.559 -3.345 59 HB3 PHE 8 1HB PHE 8 -11.819 -2.908 -3.930 60 HD1 PHE 8 1HD PHE 8 -9.830 -5.690 -5.377 61 HD2 PHE 8 2HD PHE 8 -13.336 -3.239 -5.800 62 HE1 PHE 8 1HE PHE 8 -10.106 -6.486 -7.698 63 HE2 PHE 8 2HE PHE 8 -13.606 -4.039 -8.128 64 HZ PHE 8 HZ PHE 8 -11.990 -5.662 -9.078 65 H VAL 9 H VAL 9 -7.653 -4.743 -2.826 66 HA VAL 9 HA VAL 9 -8.515 -7.378 -1.871 67 HB VAL 9 HB VAL 9 -8.525 -7.516 -4.378 68 HG11 VAL 9 1HG1 VAL 9 -6.698 -5.897 -4.757 69 HG12 VAL 9 2HG1 VAL 9 -6.365 -7.438 -5.548 70 HG13 VAL 9 3HG1 VAL 9 -5.555 -7.028 -4.035 71 HG21 VAL 9 3HG2 VAL 9 -7.277 -9.595 -4.502 72 HG22 VAL 9 1HG2 VAL 9 -8.023 -9.494 -2.907 73 HG23 VAL 9 2HG2 VAL 9 -6.305 -9.144 -3.101 74 H CYS 10 H CYS 10 -6.861 -4.915 -1.118 75 HA CYS 10 HA CYS 10 -4.085 -5.692 -0.971 76 HB2 CYS 10 2HB CYS 10 -5.722 -3.797 0.751 77 HB3 CYS 10 1HB CYS 10 -3.967 -3.773 0.556 78 H THR 11 H THR 11 -6.791 -5.881 1.369 79 HA THR 11 HA THR 11 -5.452 -6.857 3.622 80 HB THR 11 HB THR 11 -7.972 -6.324 3.037 81 HG1 THR 11 1HG THR 11 -8.280 -6.925 5.021 82 HG21 THR 11 3HG2 THR 11 -9.345 -8.349 2.812 83 HG22 THR 11 1HG2 THR 11 -7.890 -9.342 2.754 84 HG23 THR 11 2HG2 THR 11 -8.235 -8.205 1.451 85 H SER 12 H SER 12 -6.560 -8.662 0.767 86 HA SER 12 HA SER 12 -5.729 -11.268 1.693 87 HB2 SER 12 2HB SER 12 -5.976 -10.250 -1.150 88 HB3 SER 12 1HB SER 12 -6.226 -11.896 -0.578 89 HG SER 12 HG SER 12 -8.209 -10.843 -0.848 90 H TRP 13 H TRP 13 -4.094 -8.570 0.192 91 HA TRP 13 HA TRP 13 -1.728 -10.151 -0.584 92 HB2 TRP 13 2HB TRP 13 -2.452 -7.204 -0.597 93 HB3 TRP 13 1HB TRP 13 -0.945 -7.842 -1.253 94 HD1 TRP 13 HD TRP 13 -3.219 -10.464 -2.006 95 HE1 TRP 13 1HE TRP 13 -4.244 -10.250 -4.362 96 HE3 TRP 13 3HE TRP 13 -2.067 -5.596 -3.037 97 HZ2 TRP 13 2HZ TRP 13 -4.534 -8.278 -6.409 98 HZ3 TRP 13 3HZ TRP 13 -2.735 -4.575 -5.190 99 HH2 TRP 13 HH TRP 13 -3.970 -5.906 -6.877 100 H ALA 14 H ALA 14 -2.232 -7.291 1.517 101 HA ALA 14 HA ALA 14 0.215 -7.164 2.805 102 HB1 ALA 14 1HB ALA 14 -1.438 -5.519 3.227 103 HB2 ALA 14 2HB ALA 14 -1.255 -6.347 4.774 104 HB3 ALA 14 3HB ALA 14 -2.625 -6.724 3.729 105 H ARG 15 H ARG 15 -2.295 -9.593 3.303 106 HA ARG 15 HA ARG 15 -0.842 -10.682 5.666 107 HB2 ARG 15 2HB ARG 15 -3.561 -10.870 4.451 108 HB3 ARG 15 1HB ARG 15 -2.995 -12.264 5.374 109 HG2 ARG 15 2HG ARG 15 -2.922 -9.426 6.431 110 HG3 ARG 15 1HG ARG 15 -4.246 -10.549 6.746 111 HD2 ARG 15 2HD ARG 15 -1.340 -11.136 7.414 112 HD3 ARG 15 1HD ARG 15 -2.536 -10.542 8.585 113 HE ARG 15 HE ARG 15 -2.446 -13.238 7.464 114 HH11 ARG 15 1HH2 ARG 15 -4.396 -10.713 8.788 115 HH12 ARG 15 2HH2 ARG 15 -5.646 -11.783 9.323 116 HH21 ARG 15 1HH1 ARG 15 -4.073 -14.644 8.162 117 HH22 ARG 15 2HH1 ARG 15 -5.466 -14.004 8.969 118 H LYS 16 H LYS 16 -1.074 -11.148 2.283 119 HA LYS 16 HA LYS 16 -0.320 -14.022 2.425 120 HB2 LYS 16 2HB LYS 16 -2.058 -13.198 0.855 121 HB3 LYS 16 1HB LYS 16 -0.868 -12.130 0.112 122 HG2 LYS 16 2HG LYS 16 0.442 -14.005 -0.657 123 HG3 LYS 16 1HG LYS 16 -0.548 -15.137 0.266 124 HD2 LYS 16 2HD LYS 16 -2.517 -14.083 -1.148 125 HD3 LYS 16 1HD LYS 16 -1.211 -13.659 -2.256 126 HE2 LYS 16 2HE LYS 16 -0.551 -16.241 -1.774 127 HE3 LYS 16 1HE LYS 16 -2.313 -16.339 -1.582 128 HZ1 LYS 16 3HZ LYS 16 -0.740 -15.610 -3.933 129 HZ2 LYS 16 1HZ LYS 16 -2.184 -14.755 -3.683 130 HZ3 LYS 16 2HZ LYS 16 -2.216 -16.447 -3.834 131 H GLY 17 H GLY 17 1.399 -11.462 3.084 132 HA2 GLY 17 2HA GLY 17 3.709 -11.020 2.960 133 HA3 GLY 17 1HA GLY 17 3.892 -12.542 2.076 134 H PHE 18 H PHE 18 1.521 -10.467 0.777 135 HA PHE 18 HA PHE 18 2.743 -10.223 -1.770 136 HB2 PHE 18 2HB PHE 18 0.359 -9.515 -0.423 137 HB3 PHE 18 1HB PHE 18 0.966 -8.037 -1.165 138 HD1 PHE 18 2HD PHE 18 -0.219 -11.474 -1.790 139 HD2 PHE 18 1HD PHE 18 1.139 -7.813 -3.582 140 HE1 PHE 18 2HE PHE 18 -1.028 -12.255 -4.001 141 HE2 PHE 18 1HE PHE 18 0.327 -8.594 -5.792 142 HZ PHE 18 HZ PHE 18 -0.759 -10.813 -6.002 143 H CYS 19 H CYS 19 2.808 -8.005 1.031 144 HA CYS 19 HA CYS 19 4.211 -5.900 -0.429 145 HB2 CYS 19 2HB CYS 19 3.253 -6.482 2.330 146 HB3 CYS 19 1HB CYS 19 4.550 -5.294 2.174 147 H ASP 20 H ASP 20 5.310 -8.880 0.351 148 HA ASP 20 HA ASP 20 8.047 -7.868 1.060 149 HB2 ASP 20 2HB ASP 20 6.335 -9.710 2.339 150 HB3 ASP 20 1HB ASP 20 7.587 -10.688 1.564 151 H VAL 21 H VAL 21 6.218 -10.302 -0.792 152 HA VAL 21 HA VAL 21 8.657 -10.797 -2.457 153 HB VAL 21 HB VAL 21 6.458 -12.537 -3.098 154 HG11 VAL 21 1HG1 VAL 21 9.229 -12.629 -2.612 155 HG12 VAL 21 2HG1 VAL 21 8.202 -13.943 -3.187 156 HG13 VAL 21 3HG1 VAL 21 8.504 -13.751 -1.461 157 HG21 VAL 21 3HG2 VAL 21 5.444 -12.147 -0.954 158 HG22 VAL 21 1HG2 VAL 21 7.005 -12.199 -0.134 159 HG23 VAL 21 2HG2 VAL 21 6.318 -13.674 -0.817 160 H ARG 22 H ARG 22 5.135 -10.307 -2.748 161 HA ARG 22 HA ARG 22 5.379 -9.652 -5.610 162 HB2 ARG 22 2HB ARG 22 2.973 -9.407 -3.786 163 HB3 ARG 22 1HB ARG 22 2.987 -9.704 -5.525 164 HG2 ARG 22 2HG ARG 22 3.803 -11.597 -3.312 165 HG3 ARG 22 1HG ARG 22 2.551 -11.831 -4.532 166 HD2 ARG 22 2HD ARG 22 5.554 -11.800 -4.961 167 HD3 ARG 22 1HD ARG 22 4.429 -13.136 -5.280 168 HE ARG 22 HE ARG 22 3.319 -11.301 -6.860 169 HH11 ARG 22 1HH2 ARG 22 6.687 -11.951 -6.319 170 HH12 ARG 22 2HH2 ARG 22 7.169 -11.346 -7.865 171 HH21 ARG 22 1HH1 ARG 22 3.959 -10.530 -8.867 172 HH22 ARG 22 2HH1 ARG 22 5.636 -10.546 -9.303 173 H GLN 23 H GLN 23 6.018 -7.987 -2.827 174 HA GLN 23 HA GLN 23 4.767 -5.568 -2.709 175 HB2 GLN 23 2HB GLN 23 6.828 -4.735 -1.841 176 HB3 GLN 23 1HB GLN 23 6.868 -6.475 -1.533 177 HG2 GLN 23 2HG GLN 23 7.974 -6.427 -4.001 178 HG3 GLN 23 1HG GLN 23 8.487 -4.846 -3.414 179 HE21 GLN 23 1HE2 GLN 23 9.391 -4.979 -0.999 180 HE22 GLN 23 2HE2 GLN 23 10.433 -6.282 -0.691 181 H ARG 24 H ARG 24 6.737 -6.685 -5.389 182 HA ARG 24 HA ARG 24 7.464 -4.395 -6.749 183 HB2 ARG 24 2HB ARG 24 7.634 -6.916 -7.309 184 HB3 ARG 24 1HB ARG 24 6.075 -6.704 -8.105 185 HG2 ARG 24 2HG ARG 24 7.490 -6.241 -9.879 186 HG3 ARG 24 1HG ARG 24 7.310 -4.621 -9.205 187 HD2 ARG 24 2HD ARG 24 9.463 -4.585 -8.363 188 HD3 ARG 24 1HD ARG 24 9.494 -6.339 -8.088 189 HE ARG 24 HE ARG 24 9.253 -5.767 -10.903 190 HH11 ARG 24 1HH2 ARG 24 11.444 -5.795 -8.231 191 HH12 ARG 24 2HH2 ARG 24 12.843 -6.057 -9.216 192 HH21 ARG 24 1HH1 ARG 24 11.067 -6.111 -12.194 193 HH22 ARG 24 2HH1 ARG 24 12.631 -6.234 -11.460 194 H LEU 25 H LEU 25 4.166 -5.876 -6.844 195 HA LEU 25 HA LEU 25 3.241 -3.509 -8.382 196 HB2 LEU 25 2HB LEU 25 1.093 -4.921 -8.440 197 HB3 LEU 25 1HB LEU 25 2.495 -5.566 -9.282 198 HG LEU 25 HG LEU 25 2.903 -7.187 -7.600 199 HD11 LEU 25 1HD1 LEU 25 2.765 -5.911 -5.587 200 HD12 LEU 25 2HD1 LEU 25 1.528 -7.154 -5.447 201 HD13 LEU 25 3HD1 LEU 25 1.075 -5.505 -5.873 202 HD21 LEU 25 3HD2 LEU 25 -0.044 -7.223 -7.262 203 HD22 LEU 25 1HD2 LEU 25 1.034 -8.478 -7.879 204 HD23 LEU 25 2HD2 LEU 25 0.531 -7.153 -8.930 205 H MET 26 H MET 26 3.491 -4.300 -5.121 206 HA MET 26 HA MET 26 0.915 -3.155 -4.276 207 HB2 MET 26 2HB MET 26 3.285 -4.502 -3.116 208 HB3 MET 26 1HB MET 26 2.468 -3.364 -2.043 209 HG2 MET 26 2HG MET 26 1.004 -5.515 -3.594 210 HG3 MET 26 1HG MET 26 1.592 -5.749 -1.949 211 HE1 MET 26 3HE MET 26 0.613 -5.481 -0.192 212 HE2 MET 26 1HE MET 26 -1.029 -5.960 -0.638 213 HE3 MET 26 2HE MET 26 -0.760 -4.486 0.290 214 H LYS 27 H LYS 27 4.336 -2.168 -4.323 215 HA LYS 27 HA LYS 27 4.339 0.175 -2.855 216 HB2 LYS 27 2HB LYS 27 6.126 -0.983 -4.336 217 HB3 LYS 27 1HB LYS 27 5.497 0.022 -5.642 218 HG2 LYS 27 2HG LYS 27 6.051 2.040 -4.483 219 HG3 LYS 27 1HG LYS 27 6.376 1.167 -2.984 220 HD2 LYS 27 2HD LYS 27 8.078 -0.086 -4.743 221 HD3 LYS 27 1HD LYS 27 8.113 1.581 -5.325 222 HE2 LYS 27 2HE LYS 27 9.087 2.382 -3.386 223 HE3 LYS 27 1HE LYS 27 8.320 1.146 -2.369 224 HZ1 LYS 27 3HZ LYS 27 10.336 0.174 -2.503 225 HZ2 LYS 27 1HZ LYS 27 10.775 1.000 -3.918 226 HZ3 LYS 27 2HZ LYS 27 9.775 -0.370 -4.011 227 H ARG 28 H ARG 28 2.966 -0.278 -6.112 228 HA ARG 28 HA ARG 28 2.047 2.558 -6.118 229 HB2 ARG 28 2HB ARG 28 2.001 0.414 -8.265 230 HB3 ARG 28 1HB ARG 28 1.703 2.136 -8.503 231 HG2 ARG 28 2HG ARG 28 4.090 2.320 -7.305 232 HG3 ARG 28 1HG ARG 28 4.276 0.711 -8.003 233 HD2 ARG 28 2HD ARG 28 3.155 2.185 -10.086 234 HD3 ARG 28 1HD ARG 28 4.313 3.308 -9.344 235 HE ARG 28 HE ARG 28 5.670 0.884 -9.424 236 HH11 ARG 28 1HH2 ARG 28 4.045 2.929 -11.684 237 HH12 ARG 28 2HH2 ARG 28 5.048 2.467 -13.018 238 HH21 ARG 28 1HH1 ARG 28 6.978 0.272 -11.154 239 HH22 ARG 28 2HH1 ARG 28 6.707 0.964 -12.718 240 H LEU 29 H LEU 29 0.720 -0.747 -6.592 241 HA LEU 29 HA LEU 29 -1.998 0.045 -6.930 242 HB2 LEU 29 2HB LEU 29 -0.614 -2.460 -5.976 243 HB3 LEU 29 1HB LEU 29 -2.368 -2.382 -6.163 244 HG LEU 29 HG LEU 29 -0.428 -1.644 -8.369 245 HD11 LEU 29 1HD1 LEU 29 -0.301 -3.810 -9.020 246 HD12 LEU 29 2HD1 LEU 29 -2.007 -4.098 -8.680 247 HD13 LEU 29 3HD1 LEU 29 -0.820 -4.197 -7.379 248 HD21 LEU 29 3HD2 LEU 29 -2.744 -2.317 -9.573 249 HD22 LEU 29 1HD2 LEU 29 -2.414 -0.677 -9.015 250 HD23 LEU 29 2HD2 LEU 29 -3.385 -1.765 -8.026 251 H CYS 30 H CYS 30 -0.419 -1.196 -3.927 252 HA CYS 30 HA CYS 30 -2.467 0.369 -2.398 253 HB2 CYS 30 2HB CYS 30 -2.611 -2.324 -2.827 254 HB3 CYS 30 1HB CYS 30 -1.694 -2.274 -1.317 255 HA PRO 31 HA PRO 31 1.833 0.896 -0.730 256 HB2 PRO 31 2HB PRO 31 1.866 3.622 -0.866 257 HB3 PRO 31 1HB PRO 31 2.357 2.583 -2.222 258 HG2 PRO 31 2HG PRO 31 -0.194 4.049 -1.785 259 HG3 PRO 31 1HG PRO 31 0.698 3.763 -3.286 260 HD2 PRO 31 2HD PRO 31 -1.536 2.363 -2.528 261 HD3 PRO 31 1HD PRO 31 -0.291 1.740 -3.636 262 H ARG 32 H ARG 32 -1.263 2.489 -0.090 263 HA ARG 32 HA ARG 32 -0.710 3.769 2.362 264 HB2 ARG 32 2HB ARG 32 -2.924 3.099 0.759 265 HB3 ARG 32 1HB ARG 32 -3.287 2.437 2.354 266 HG2 ARG 32 2HG ARG 32 -2.862 4.604 3.395 267 HG3 ARG 32 1HG ARG 32 -2.372 5.283 1.843 268 HD2 ARG 32 2HD ARG 32 -4.527 5.655 1.235 269 HD3 ARG 32 1HD ARG 32 -5.021 4.024 1.727 270 HE ARG 32 HE ARG 32 -4.604 5.204 4.142 271 HH11 ARG 32 1HH2 ARG 32 -6.272 6.230 1.294 272 HH12 ARG 32 2HH2 ARG 32 -7.409 7.205 2.159 273 HH21 ARG 32 1HH1 ARG 32 -6.083 6.470 5.274 274 HH22 ARG 32 2HH1 ARG 32 -7.304 7.342 4.406 275 H SER 33 H SER 33 -2.274 0.550 2.101 276 HA SER 33 HA SER 33 -2.196 -0.306 4.708 277 HB2 SER 33 2HB SER 33 -2.649 -1.433 2.271 278 HB3 SER 33 1HB SER 33 -1.164 -2.263 2.730 279 HG SER 33 HG SER 33 -3.689 -2.548 3.683 280 H CYS 34 H CYS 34 0.526 -0.920 2.440 281 HA CYS 34 HA CYS 34 2.292 -1.552 4.718 282 HB2 CYS 34 2HB CYS 34 2.589 -1.542 1.704 283 HB3 CYS 34 1HB CYS 34 3.860 -2.069 2.811 284 H ASP 35 H ASP 35 1.301 1.309 3.505 285 HA ASP 35 HA ASP 35 2.262 3.467 3.327 286 HB2 ASP 35 2HB ASP 35 2.404 2.607 5.768 287 HB3 ASP 35 1HB ASP 35 4.128 2.392 5.442 288 H PHE 36 H PHE 36 3.310 2.000 1.253 289 HA PHE 36 HA PHE 36 6.231 1.897 1.369 290 HB2 PHE 36 2HB PHE 36 4.111 1.570 -0.761 291 HB3 PHE 36 1HB PHE 36 5.831 1.494 -1.149 292 HD1 PHE 36 1HD PHE 36 6.671 0.177 1.559 293 HD2 PHE 36 2HD PHE 36 3.600 -0.725 -1.312 294 HE1 PHE 36 1HE PHE 36 6.700 -2.195 2.267 295 HE2 PHE 36 2HE PHE 36 3.637 -3.092 -0.603 296 HZ PHE 36 HZ PHE 36 5.183 -3.831 1.188 297 H CYS 37 H CYS 37 4.164 4.459 1.290 298 HA CYS 37 HA CYS 37 5.990 6.076 -0.464 299 HB2 CYS 37 2HB CYS 37 3.478 5.629 -1.028 300 HB3 CYS 37 1HB CYS 37 3.155 6.801 0.256 301 HXT CYS 37 2H CYS 37 6.272 7.072 3.225 Start of MODEL 3 1 H1 TYR 1 H TYR 1 5.084 9.488 -4.399 2 HA TYR 1 HA TYR 1 3.719 9.916 -2.504 3 HB2 TYR 1 2HB TYR 1 3.982 12.111 -4.270 4 HB3 TYR 1 1HB TYR 1 2.303 12.124 -3.729 5 HD1 TYR 1 1HD TYR 1 5.804 11.819 -2.447 6 HD2 TYR 1 2HD TYR 1 1.750 12.957 -1.604 7 HE1 TYR 1 1HE TYR 1 6.516 12.721 -0.248 8 HE2 TYR 1 2HE TYR 1 2.460 13.859 0.595 9 HH TYR 1 HH TYR 1 5.879 13.730 1.616 10 H GLY 2 H GLY 2 1.423 10.050 -1.737 11 HA2 GLY 2 2HA GLY 2 -0.946 9.984 -3.022 12 HA3 GLY 2 1HA GLY 2 -0.317 8.392 -3.446 13 H CYS 3 H CYS 3 0.696 7.276 -1.334 14 HA CYS 3 HA CYS 3 0.238 6.326 0.784 15 HB2 CYS 3 2HB CYS 3 -0.103 9.129 0.924 16 HB3 CYS 3 1HB CYS 3 -1.481 8.433 1.778 17 H LEU 4 H LEU 4 -1.812 6.419 -1.618 18 HA LEU 4 HA LEU 4 -4.110 5.346 -0.013 19 HB2 LEU 4 2HB LEU 4 -5.605 6.483 -1.490 20 HB3 LEU 4 1HB LEU 4 -4.354 7.661 -1.095 21 HG LEU 4 HG LEU 4 -3.329 6.289 -3.301 22 HD11 LEU 4 1HD1 LEU 4 -5.842 5.508 -3.422 23 HD12 LEU 4 2HD1 LEU 4 -5.017 6.032 -4.890 24 HD13 LEU 4 3HD1 LEU 4 -6.112 7.132 -4.053 25 HD21 LEU 4 3HD2 LEU 4 -2.913 8.558 -3.305 26 HD22 LEU 4 1HD2 LEU 4 -4.532 8.962 -2.736 27 HD23 LEU 4 2HD2 LEU 4 -4.272 8.539 -4.427 28 H ASP 5 H ASP 5 -5.214 3.580 -0.969 29 HA ASP 5 HA ASP 5 -3.571 1.877 -2.683 30 HB2 ASP 5 2HB ASP 5 -5.287 0.251 -2.153 31 HB3 ASP 5 1HB ASP 5 -4.964 1.189 -0.693 32 H ARG 6 H ARG 6 -4.456 0.874 -4.665 33 HA ARG 6 HA ARG 6 -6.047 2.821 -6.281 34 HB2 ARG 6 2HB ARG 6 -3.759 1.012 -6.670 35 HB3 ARG 6 1HB ARG 6 -4.950 0.915 -7.965 36 HG2 ARG 6 2HG ARG 6 -4.871 3.391 -8.185 37 HG3 ARG 6 1HG ARG 6 -3.608 3.439 -6.956 38 HD2 ARG 6 2HD ARG 6 -2.857 3.426 -9.451 39 HD3 ARG 6 1HD ARG 6 -2.056 2.284 -8.354 40 HE ARG 6 HE ARG 6 -3.212 0.506 -9.421 41 HH11 ARG 6 1HH2 ARG 6 -4.516 3.599 -10.251 42 HH12 ARG 6 2HH2 ARG 6 -5.556 2.971 -11.483 43 HH21 ARG 6 1HH1 ARG 6 -4.569 -0.320 -11.024 44 HH22 ARG 6 2HH1 ARG 6 -5.588 0.756 -11.920 45 H ILE 7 H ILE 7 -6.205 -0.268 -4.782 46 HA ILE 7 HA ILE 7 -8.751 -0.854 -6.233 47 HB ILE 7 HB ILE 7 -7.979 -3.247 -6.328 48 HG12 ILE 7 2HG1 ILE 7 -5.308 -3.263 -6.156 49 HG13 ILE 7 1HG1 ILE 7 -5.623 -1.991 -4.981 50 HG21 ILE 7 1HG2 ILE 7 -7.380 -2.665 -8.413 51 HG22 ILE 7 2HG2 ILE 7 -5.790 -2.200 -7.810 52 HG23 ILE 7 3HG2 ILE 7 -7.088 -1.008 -7.884 53 HD11 ILE 7 3HD1 ILE 7 -5.552 -4.425 -4.116 54 HD12 ILE 7 1HD1 ILE 7 -7.125 -4.598 -4.893 55 HD13 ILE 7 2HD1 ILE 7 -6.904 -3.417 -3.603 56 H PHE 8 H PHE 8 -8.985 -3.431 -4.794 57 HA PHE 8 HA PHE 8 -9.246 -2.453 -1.973 58 HB2 PHE 8 2HB PHE 8 -11.350 -2.352 -3.400 59 HB3 PHE 8 1HB PHE 8 -11.282 -4.116 -3.474 60 HD1 PHE 8 2HD PHE 8 -10.758 -1.527 -0.795 61 HD2 PHE 8 1HD PHE 8 -12.732 -5.153 -1.984 62 HE1 PHE 8 2HE PHE 8 -11.838 -1.668 1.433 63 HE2 PHE 8 1HE PHE 8 -13.809 -5.295 0.244 64 HZ PHE 8 HZ PHE 8 -13.363 -3.554 1.953 65 H VAL 9 H VAL 9 -8.729 -5.167 -4.169 66 HA VAL 9 HA VAL 9 -8.790 -7.242 -2.158 67 HB VAL 9 HB VAL 9 -8.985 -7.320 -4.724 68 HG11 VAL 9 1HG1 VAL 9 -6.205 -8.031 -5.064 69 HG12 VAL 9 2HG1 VAL 9 -6.340 -6.362 -4.516 70 HG13 VAL 9 3HG1 VAL 9 -7.171 -6.878 -5.982 71 HG21 VAL 9 3HG2 VAL 9 -7.971 -9.604 -4.778 72 HG22 VAL 9 1HG2 VAL 9 -8.975 -9.335 -3.353 73 HG23 VAL 9 2HG2 VAL 9 -7.217 -9.268 -3.220 74 H CYS 10 H CYS 10 -7.342 -5.374 -0.883 75 HA CYS 10 HA CYS 10 -4.456 -6.018 -1.246 76 HB2 CYS 10 2HB CYS 10 -6.029 -3.889 0.225 77 HB3 CYS 10 1HB CYS 10 -4.281 -4.071 0.411 78 H THR 11 H THR 11 -7.133 -6.260 1.055 79 HA THR 11 HA THR 11 -5.850 -6.959 3.433 80 HB THR 11 HB THR 11 -8.340 -7.977 2.049 81 HG1 THR 11 1HG THR 11 -7.778 -6.172 4.157 82 HG21 THR 11 3HG2 THR 11 -7.697 -9.754 3.546 83 HG22 THR 11 1HG2 THR 11 -8.990 -8.843 4.329 84 HG23 THR 11 2HG2 THR 11 -7.315 -8.605 4.829 85 H SER 12 H SER 12 -7.057 -9.412 1.113 86 HA SER 12 HA SER 12 -5.732 -11.657 2.097 87 HB2 SER 12 2HB SER 12 -6.295 -10.762 -0.745 88 HB3 SER 12 1HB SER 12 -5.827 -12.405 -0.320 89 HG SER 12 HG SER 12 -8.152 -10.960 0.386 90 H TRP 13 H TRP 13 -4.470 -9.403 -0.395 91 HA TRP 13 HA TRP 13 -1.949 -10.470 -0.862 92 HB2 TRP 13 2HB TRP 13 -2.969 -7.642 -0.536 93 HB3 TRP 13 1HB TRP 13 -1.308 -7.966 -1.040 94 HD1 TRP 13 HD TRP 13 -2.891 -10.748 -2.480 95 HE1 TRP 13 1HE TRP 13 -3.661 -10.336 -4.908 96 HE3 TRP 13 3HE TRP 13 -2.730 -5.646 -2.603 97 HZ2 TRP 13 2HZ TRP 13 -4.142 -8.130 -6.667 98 HZ3 TRP 13 3HZ TRP 13 -3.349 -4.415 -4.663 99 HH2 TRP 13 HH TRP 13 -4.056 -5.650 -6.693 100 H ALA 14 H ALA 14 -2.694 -8.073 1.700 101 HA ALA 14 HA ALA 14 -0.234 -7.976 3.012 102 HB1 ALA 14 1HB ALA 14 -3.102 -7.633 3.687 103 HB2 ALA 14 2HB ALA 14 -1.750 -6.528 3.941 104 HB3 ALA 14 3HB ALA 14 -2.027 -7.858 5.067 105 H ARG 15 H ARG 15 -2.856 -10.354 3.513 106 HA ARG 15 HA ARG 15 -1.470 -11.852 5.563 107 HB2 ARG 15 2HB ARG 15 -3.978 -11.778 4.205 108 HB3 ARG 15 1HB ARG 15 -3.356 -13.424 4.070 109 HG2 ARG 15 2HG ARG 15 -3.109 -12.116 6.731 110 HG3 ARG 15 1HG ARG 15 -4.732 -12.580 6.222 111 HD2 ARG 15 2HD ARG 15 -3.904 -14.890 5.765 112 HD3 ARG 15 1HD ARG 15 -2.313 -14.410 6.391 113 HE ARG 15 HE ARG 15 -4.019 -13.603 8.392 114 HH11 ARG 15 1HH2 ARG 15 -3.565 -16.540 6.627 115 HH12 ARG 15 2HH2 ARG 15 -4.068 -17.554 7.938 116 HH21 ARG 15 1HH1 ARG 15 -4.676 -14.914 10.102 117 HH22 ARG 15 2HH1 ARG 15 -4.697 -16.635 9.903 118 H LYS 16 H LYS 16 -0.857 -11.541 2.260 119 HA LYS 16 HA LYS 16 0.345 -14.284 2.092 120 HB2 LYS 16 2HB LYS 16 -1.064 -12.437 0.251 121 HB3 LYS 16 1HB LYS 16 0.306 -13.301 -0.451 122 HG2 LYS 16 2HG LYS 16 -0.673 -15.383 -0.145 123 HG3 LYS 16 1HG LYS 16 -1.667 -14.832 1.204 124 HD2 LYS 16 2HD LYS 16 -3.330 -14.067 -0.158 125 HD3 LYS 16 1HD LYS 16 -2.199 -13.510 -1.394 126 HE2 LYS 16 2HE LYS 16 -1.783 -16.015 -1.890 127 HE3 LYS 16 1HE LYS 16 -3.267 -16.305 -0.959 128 HZ1 LYS 16 3HZ LYS 16 -2.923 -14.957 -3.518 129 HZ2 LYS 16 1HZ LYS 16 -4.033 -14.252 -2.447 130 HZ3 LYS 16 2HZ LYS 16 -4.235 -15.866 -2.940 131 H GLY 17 H GLY 17 1.373 -11.441 3.088 132 HA2 GLY 17 2HA GLY 17 3.481 -10.402 3.127 133 HA3 GLY 17 1HA GLY 17 4.114 -11.851 2.337 134 H PHE 18 H PHE 18 1.499 -10.433 0.684 135 HA PHE 18 HA PHE 18 2.827 -9.985 -1.743 136 HB2 PHE 18 2HB PHE 18 0.289 -9.815 -0.744 137 HB3 PHE 18 1HB PHE 18 0.644 -8.115 -1.042 138 HD1 PHE 18 2HD PHE 18 1.473 -11.337 -2.787 139 HD2 PHE 18 1HD PHE 18 -0.174 -7.383 -3.087 140 HE1 PHE 18 2HE PHE 18 1.083 -11.685 -5.212 141 HE2 PHE 18 1HE PHE 18 -0.565 -7.729 -5.512 142 HZ PHE 18 HZ PHE 18 0.063 -9.880 -6.575 143 H CYS 19 H CYS 19 2.608 -7.861 1.077 144 HA CYS 19 HA CYS 19 3.504 -5.447 -0.228 145 HB2 CYS 19 2HB CYS 19 3.602 -6.456 2.636 146 HB3 CYS 19 1HB CYS 19 3.984 -4.799 2.168 147 H ASP 20 H ASP 20 5.131 -8.355 0.600 148 HA ASP 20 HA ASP 20 7.790 -6.984 0.677 149 HB2 ASP 20 2HB ASP 20 6.536 -9.187 2.033 150 HB3 ASP 20 1HB ASP 20 7.953 -9.787 1.165 151 H VAL 21 H VAL 21 5.905 -9.427 -1.067 152 HA VAL 21 HA VAL 21 8.162 -10.020 -2.888 153 HB VAL 21 HB VAL 21 5.283 -10.953 -3.012 154 HG11 VAL 21 1HG1 VAL 21 6.145 -12.790 -4.228 155 HG12 VAL 21 2HG1 VAL 21 7.796 -12.478 -3.698 156 HG13 VAL 21 3HG1 VAL 21 7.029 -11.404 -4.868 157 HG21 VAL 21 3HG2 VAL 21 6.967 -12.857 -1.710 158 HG22 VAL 21 1HG2 VAL 21 5.557 -12.027 -1.051 159 HG23 VAL 21 2HG2 VAL 21 7.161 -11.315 -0.877 160 H ARG 22 H ARG 22 4.770 -8.934 -3.272 161 HA ARG 22 HA ARG 22 5.295 -7.915 -5.972 162 HB2 ARG 22 2HB ARG 22 3.098 -8.735 -4.357 163 HB3 ARG 22 1HB ARG 22 2.802 -7.059 -4.823 164 HG2 ARG 22 2HG ARG 22 1.886 -8.466 -6.559 165 HG3 ARG 22 1HG ARG 22 3.342 -7.710 -7.199 166 HD2 ARG 22 2HD ARG 22 4.596 -9.701 -7.052 167 HD3 ARG 22 1HD ARG 22 3.481 -10.420 -5.873 168 HE ARG 22 HE ARG 22 2.062 -11.037 -7.665 169 HH11 ARG 22 1HH2 ARG 22 4.397 -8.672 -8.606 170 HH12 ARG 22 2HH2 ARG 22 3.965 -8.726 -10.281 171 HH21 ARG 22 1HH1 ARG 22 1.488 -11.113 -9.845 172 HH22 ARG 22 2HH1 ARG 22 2.319 -10.106 -10.983 173 H GLN 23 H GLN 23 6.073 -6.747 -2.997 174 HA GLN 23 HA GLN 23 5.306 -4.258 -2.402 175 HB2 GLN 23 2HB GLN 23 7.252 -5.259 -1.423 176 HB3 GLN 23 1HB GLN 23 8.113 -5.239 -2.968 177 HG2 GLN 23 2HG GLN 23 8.608 -3.002 -2.819 178 HG3 GLN 23 1HG GLN 23 7.119 -2.621 -1.954 179 HE21 GLN 23 1HE2 GLN 23 9.533 -1.568 -0.961 180 HE22 GLN 23 2HE2 GLN 23 9.943 -2.356 0.484 181 H ARG 24 H ARG 24 7.815 -4.516 -4.975 182 HA ARG 24 HA ARG 24 7.794 -1.919 -5.928 183 HB2 ARG 24 2HB ARG 24 8.269 -3.050 -8.183 184 HB3 ARG 24 1HB ARG 24 9.286 -3.551 -6.832 185 HG2 ARG 24 2HG ARG 24 6.910 -5.165 -6.862 186 HG3 ARG 24 1HG ARG 24 7.644 -5.192 -8.465 187 HD2 ARG 24 2HD ARG 24 9.615 -5.418 -6.293 188 HD3 ARG 24 1HD ARG 24 8.462 -6.767 -6.352 189 HE ARG 24 HE ARG 24 9.436 -6.015 -8.993 190 HH11 ARG 24 1HH2 ARG 24 10.041 -7.818 -6.110 191 HH12 ARG 24 2HH2 ARG 24 11.052 -8.983 -6.896 192 HH21 ARG 24 1HH1 ARG 24 10.750 -7.530 -10.030 193 HH22 ARG 24 2HH1 ARG 24 11.454 -8.821 -9.115 194 H LEU 25 H LEU 25 5.302 -4.357 -6.423 195 HA LEU 25 HA LEU 25 3.833 -2.729 -8.393 196 HB2 LEU 25 2HB LEU 25 3.832 -5.118 -8.654 197 HB3 LEU 25 1HB LEU 25 3.404 -5.365 -6.964 198 HG LEU 25 HG LEU 25 1.434 -3.676 -8.218 199 HD11 LEU 25 1HD1 LEU 25 0.959 -4.709 -10.174 200 HD12 LEU 25 2HD1 LEU 25 1.112 -6.307 -9.444 201 HD13 LEU 25 3HD1 LEU 25 2.544 -5.469 -10.043 202 HD21 LEU 25 3HD2 LEU 25 1.204 -5.100 -6.162 203 HD22 LEU 25 1HD2 LEU 25 1.259 -6.528 -7.194 204 HD23 LEU 25 2HD2 LEU 25 -0.072 -5.380 -7.346 205 H MET 26 H MET 26 3.168 -4.016 -5.110 206 HA MET 26 HA MET 26 0.760 -2.575 -4.635 207 HB2 MET 26 2HB MET 26 2.953 -3.745 -2.924 208 HB3 MET 26 1HB MET 26 1.555 -2.958 -2.194 209 HG2 MET 26 2HG MET 26 0.044 -4.505 -3.308 210 HG3 MET 26 1HG MET 26 1.390 -5.242 -4.178 211 HE1 MET 26 3HE MET 26 -0.548 -4.730 -1.028 212 HE2 MET 26 1HE MET 26 -0.269 -6.256 -0.178 213 HE3 MET 26 2HE MET 26 -0.976 -6.259 -1.791 214 H LYS 27 H LYS 27 4.150 -1.654 -4.232 215 HA LYS 27 HA LYS 27 4.201 0.508 -2.579 216 HB2 LYS 27 2HB LYS 27 5.999 -0.395 -4.106 217 HB3 LYS 27 1HB LYS 27 5.275 0.540 -5.414 218 HG2 LYS 27 2HG LYS 27 6.329 2.398 -4.715 219 HG3 LYS 27 1HG LYS 27 5.604 2.237 -3.115 220 HD2 LYS 27 2HD LYS 27 7.567 0.249 -3.183 221 HD3 LYS 27 1HD LYS 27 8.321 1.634 -3.974 222 HE2 LYS 27 2HE LYS 27 8.528 2.729 -1.999 223 HE3 LYS 27 1HE LYS 27 6.819 2.451 -1.608 224 HZ1 LYS 27 3HZ LYS 27 8.882 0.324 -1.450 225 HZ2 LYS 27 1HZ LYS 27 7.296 0.277 -0.849 226 HZ3 LYS 27 2HZ LYS 27 8.450 1.286 -0.118 227 H ARG 28 H ARG 28 3.141 0.764 -5.999 228 HA ARG 28 HA ARG 28 1.928 3.414 -5.377 229 HB2 ARG 28 2HB ARG 28 2.101 3.775 -7.721 230 HB3 ARG 28 1HB ARG 28 3.551 2.863 -7.305 231 HG2 ARG 28 2HG ARG 28 2.428 0.768 -7.989 232 HG3 ARG 28 1HG ARG 28 0.995 1.693 -8.442 233 HD2 ARG 28 2HD ARG 28 2.823 3.070 -9.861 234 HD3 ARG 28 1HD ARG 28 3.627 1.487 -9.832 235 HE ARG 28 HE ARG 28 1.894 0.653 -11.203 236 HH11 ARG 28 1HH2 ARG 28 0.953 3.554 -9.583 237 HH12 ARG 28 2HH2 ARG 28 -0.552 3.690 -10.429 238 HH21 ARG 28 1HH1 ARG 28 -0.064 0.823 -12.313 239 HH22 ARG 28 2HH1 ARG 28 -1.128 2.148 -11.971 240 H LEU 29 H LEU 29 1.007 0.188 -5.487 241 HA LEU 29 HA LEU 29 -1.698 0.743 -6.581 242 HB2 LEU 29 2HB LEU 29 -1.232 -1.293 -7.449 243 HB3 LEU 29 1HB LEU 29 0.171 -1.476 -6.400 244 HG LEU 29 HG LEU 29 -1.429 -2.137 -4.550 245 HD11 LEU 29 1HD1 LEU 29 -3.333 -1.221 -6.372 246 HD12 LEU 29 2HD1 LEU 29 -3.664 -2.130 -4.898 247 HD13 LEU 29 3HD1 LEU 29 -3.492 -2.976 -6.436 248 HD21 LEU 29 3HD2 LEU 29 -1.850 -4.064 -6.786 249 HD22 LEU 29 1HD2 LEU 29 -1.223 -4.348 -5.162 250 HD23 LEU 29 2HD2 LEU 29 -0.184 -3.638 -6.398 251 H CYS 30 H CYS 30 -0.193 -0.569 -3.581 252 HA CYS 30 HA CYS 30 -2.581 0.424 -2.095 253 HB2 CYS 30 2HB CYS 30 -2.383 -2.171 -2.921 254 HB3 CYS 30 1HB CYS 30 -1.627 -2.264 -1.327 255 HA PRO 31 HA PRO 31 1.356 1.123 0.180 256 HB2 PRO 31 2HB PRO 31 1.074 3.821 0.469 257 HB3 PRO 31 1HB PRO 31 1.817 3.083 -0.965 258 HG2 PRO 31 2HG PRO 31 -0.879 4.256 -0.627 259 HG3 PRO 31 1HG PRO 31 0.158 4.194 -2.061 260 HD2 PRO 31 2HD PRO 31 -2.034 2.543 -1.557 261 HD3 PRO 31 1HD PRO 31 -0.758 2.245 -2.759 262 H ARG 32 H ARG 32 -1.987 2.063 0.633 263 HA ARG 32 HA ARG 32 -1.836 2.953 3.359 264 HB2 ARG 32 2HB ARG 32 -4.167 3.011 3.170 265 HB3 ARG 32 1HB ARG 32 -3.679 3.082 1.481 266 HG2 ARG 32 2HG ARG 32 -5.240 1.383 1.360 267 HG3 ARG 32 1HG ARG 32 -3.793 0.433 1.696 268 HD2 ARG 32 2HD ARG 32 -5.063 -0.417 3.407 269 HD3 ARG 32 1HD ARG 32 -4.604 1.076 4.240 270 HE ARG 32 HE ARG 32 -7.178 0.614 2.814 271 HH11 ARG 32 1HH2 ARG 32 -5.100 2.660 4.717 272 HH12 ARG 32 2HH2 ARG 32 -6.369 3.758 5.120 273 HH21 ARG 32 1HH1 ARG 32 -8.807 2.059 3.354 274 HH22 ARG 32 2HH1 ARG 32 -8.450 3.426 4.357 275 H SER 33 H SER 33 -1.740 -0.208 1.914 276 HA SER 33 HA SER 33 -2.426 -1.578 4.456 277 HB2 SER 33 2HB SER 33 -1.854 -3.566 2.806 278 HB3 SER 33 1HB SER 33 -3.354 -2.657 2.603 279 HG SER 33 HG SER 33 -0.938 -2.503 1.156 280 H CYS 34 H CYS 34 0.314 -1.505 2.137 281 HA CYS 34 HA CYS 34 2.100 -2.796 4.095 282 HB2 CYS 34 2HB CYS 34 2.924 -1.525 1.496 283 HB3 CYS 34 1HB CYS 34 3.575 -2.968 2.266 284 H ASP 35 H ASP 35 0.931 0.274 3.809 285 HA ASP 35 HA ASP 35 1.715 2.401 4.481 286 HB2 ASP 35 2HB ASP 35 1.975 0.840 6.491 287 HB3 ASP 35 1HB ASP 35 3.686 0.724 6.059 288 H PHE 36 H PHE 36 2.856 1.394 2.044 289 HA PHE 36 HA PHE 36 5.717 1.570 1.951 290 HB2 PHE 36 2HB PHE 36 3.438 1.882 -0.005 291 HB3 PHE 36 1HB PHE 36 5.114 2.069 -0.529 292 HD1 PHE 36 1HD PHE 36 6.457 0.054 1.230 293 HD2 PHE 36 2HD PHE 36 2.786 -0.169 -0.993 294 HE1 PHE 36 1HE PHE 36 6.676 -2.412 1.108 295 HE2 PHE 36 2HE PHE 36 3.012 -2.633 -1.111 296 HZ PHE 36 HZ PHE 36 4.955 -3.753 -0.067 297 H CYS 37 H CYS 37 3.397 3.990 2.536 298 HA CYS 37 HA CYS 37 4.368 6.249 1.142 299 HB2 CYS 37 2HB CYS 37 2.519 5.627 3.147 300 HB3 CYS 37 1HB CYS 37 3.609 6.790 3.907 301 HXT CYS 37 2H CYS 37 7.001 7.679 3.225 Start of MODEL 4 1 H1 TYR 1 H TYR 1 -1.057 12.487 1.466 2 HA TYR 1 HA TYR 1 0.411 13.328 -0.217 3 HB2 TYR 1 2HB TYR 1 1.803 11.155 1.074 4 HB3 TYR 1 1HB TYR 1 2.125 11.113 -0.659 5 HD1 TYR 1 2HD TYR 1 2.972 13.194 -1.813 6 HD2 TYR 1 1HD TYR 1 2.723 12.858 2.461 7 HE1 TYR 1 2HE TYR 1 4.522 15.115 -1.572 8 HE2 TYR 1 1HE TYR 1 4.273 14.778 2.701 9 HH TYR 1 HH TYR 1 5.190 16.746 -0.009 10 H GLY 2 H GLY 2 1.330 12.233 -2.483 11 HA2 GLY 2 2HA GLY 2 -1.022 11.492 -3.937 12 HA3 GLY 2 1HA GLY 2 0.626 11.388 -4.557 13 H CYS 3 H CYS 3 1.398 9.625 -2.245 14 HA CYS 3 HA CYS 3 1.001 7.087 -3.496 15 HB2 CYS 3 2HB CYS 3 2.563 8.182 -1.512 16 HB3 CYS 3 1HB CYS 3 1.502 7.113 -0.595 17 H LEU 4 H LEU 4 -0.892 5.971 -3.583 18 HA LEU 4 HA LEU 4 -2.479 5.463 -1.198 19 HB2 LEU 4 2HB LEU 4 -3.622 7.440 -1.420 20 HB3 LEU 4 1HB LEU 4 -3.079 7.667 -3.080 21 HG LEU 4 HG LEU 4 -4.738 5.925 -3.792 22 HD11 LEU 4 1HD1 LEU 4 -6.044 4.811 -2.296 23 HD12 LEU 4 2HD1 LEU 4 -6.295 6.249 -1.308 24 HD13 LEU 4 3HD1 LEU 4 -4.823 5.296 -1.120 25 HD21 LEU 4 3HD2 LEU 4 -6.204 8.073 -2.281 26 HD22 LEU 4 1HD2 LEU 4 -6.495 7.469 -3.913 27 HD23 LEU 4 2HD2 LEU 4 -5.115 8.522 -3.594 28 H ASP 5 H ASP 5 -3.830 3.670 -1.547 29 HA ASP 5 HA ASP 5 -3.222 2.007 -3.817 30 HB2 ASP 5 2HB ASP 5 -4.838 0.510 -2.735 31 HB3 ASP 5 1HB ASP 5 -3.790 1.240 -1.518 32 H ARG 6 H ARG 6 -4.928 1.147 -5.320 33 HA ARG 6 HA ARG 6 -7.057 3.197 -5.879 34 HB2 ARG 6 2HB ARG 6 -6.525 2.809 -8.293 35 HB3 ARG 6 1HB ARG 6 -5.178 3.509 -7.397 36 HG2 ARG 6 2HG ARG 6 -4.176 1.283 -7.139 37 HG3 ARG 6 1HG ARG 6 -5.522 0.562 -8.017 38 HD2 ARG 6 2HD ARG 6 -3.667 2.672 -9.183 39 HD3 ARG 6 1HD ARG 6 -3.527 0.934 -9.486 40 HE ARG 6 HE ARG 6 -5.547 1.004 -10.753 41 HH11 ARG 6 1HH2 ARG 6 -4.869 4.007 -9.159 42 HH12 ARG 6 2HH2 ARG 6 -6.058 4.887 -10.054 43 HH21 ARG 6 1HH1 ARG 6 -7.078 2.160 -11.926 44 HH22 ARG 6 2HH1 ARG 6 -7.296 3.851 -11.618 45 H ILE 7 H ILE 7 -6.756 0.257 -4.756 46 HA ILE 7 HA ILE 7 -9.134 -0.762 -6.244 47 HB ILE 7 HB ILE 7 -8.075 -2.888 -6.569 48 HG12 ILE 7 2HG1 ILE 7 -6.095 -1.814 -4.565 49 HG13 ILE 7 1HG1 ILE 7 -6.944 -3.358 -4.562 50 HG21 ILE 7 1HG2 ILE 7 -7.237 -0.695 -7.854 51 HG22 ILE 7 2HG2 ILE 7 -6.515 -2.273 -8.161 52 HG23 ILE 7 3HG2 ILE 7 -5.710 -1.132 -7.085 53 HD11 ILE 7 3HD1 ILE 7 -4.863 -4.076 -5.248 54 HD12 ILE 7 1HD1 ILE 7 -4.488 -2.556 -6.059 55 HD13 ILE 7 2HD1 ILE 7 -5.580 -3.714 -6.817 56 H PHE 8 H PHE 8 -9.221 -3.233 -4.790 57 HA PHE 8 HA PHE 8 -9.383 -2.339 -1.940 58 HB2 PHE 8 2HB PHE 8 -11.663 -3.216 -1.829 59 HB3 PHE 8 1HB PHE 8 -11.559 -2.038 -3.141 60 HD1 PHE 8 1HD PHE 8 -11.198 -2.888 -5.517 61 HD2 PHE 8 2HD PHE 8 -12.291 -5.464 -2.258 62 HE1 PHE 8 1HE PHE 8 -11.955 -4.607 -7.133 63 HE2 PHE 8 2HE PHE 8 -13.048 -7.187 -3.876 64 HZ PHE 8 HZ PHE 8 -12.881 -6.758 -6.313 65 H VAL 9 H VAL 9 -7.322 -3.928 -2.753 66 HA VAL 9 HA VAL 9 -8.001 -6.520 -1.479 67 HB VAL 9 HB VAL 9 -8.298 -6.502 -4.057 68 HG11 VAL 9 1HG1 VAL 9 -6.418 -6.428 -5.420 69 HG12 VAL 9 2HG1 VAL 9 -5.335 -6.932 -4.123 70 HG13 VAL 9 3HG1 VAL 9 -5.949 -5.281 -4.164 71 HG21 VAL 9 3HG2 VAL 9 -7.482 -8.777 -4.205 72 HG22 VAL 9 1HG2 VAL 9 -8.088 -8.529 -2.567 73 HG23 VAL 9 2HG2 VAL 9 -6.352 -8.506 -2.880 74 H CYS 10 H CYS 10 -6.289 -4.109 -0.830 75 HA CYS 10 HA CYS 10 -3.517 -5.065 -1.112 76 HB2 CYS 10 2HB CYS 10 -4.347 -2.918 0.818 77 HB3 CYS 10 1HB CYS 10 -2.936 -2.982 -0.234 78 H THR 11 H THR 11 -6.138 -5.373 1.127 79 HA THR 11 HA THR 11 -4.513 -6.084 3.456 80 HB THR 11 HB THR 11 -7.454 -6.433 2.776 81 HG1 THR 11 1HG THR 11 -7.671 -4.497 3.907 82 HG21 THR 11 3HG2 THR 11 -7.144 -7.816 4.628 83 HG22 THR 11 1HG2 THR 11 -7.530 -6.274 5.393 84 HG23 THR 11 2HG2 THR 11 -5.853 -6.811 5.287 85 H SER 12 H SER 12 -6.522 -7.852 1.083 86 HA SER 12 HA SER 12 -6.148 -10.475 2.144 87 HB2 SER 12 2HB SER 12 -7.838 -9.797 0.469 88 HB3 SER 12 1HB SER 12 -6.558 -9.504 -0.705 89 HG SER 12 HG SER 12 -7.079 -11.982 0.587 90 H TRP 13 H TRP 13 -4.120 -8.443 0.127 91 HA TRP 13 HA TRP 13 -2.310 -10.582 -0.710 92 HB2 TRP 13 2HB TRP 13 -2.407 -7.569 -0.798 93 HB3 TRP 13 1HB TRP 13 -0.960 -8.430 -1.312 94 HD1 TRP 13 HD TRP 13 -2.939 -10.923 -2.436 95 HE1 TRP 13 1HE TRP 13 -3.938 -10.571 -4.788 96 HE3 TRP 13 3HE TRP 13 -2.391 -5.874 -2.867 97 HZ2 TRP 13 2HZ TRP 13 -4.440 -8.416 -6.613 98 HZ3 TRP 13 3HZ TRP 13 -3.136 -4.691 -4.907 99 HH2 TRP 13 HH TRP 13 -4.166 -5.947 -6.780 100 H ALA 14 H ALA 14 -2.075 -7.840 1.588 101 HA ALA 14 HA ALA 14 0.460 -8.118 2.622 102 HB1 ALA 14 1HB ALA 14 -1.547 -6.607 3.267 103 HB2 ALA 14 2HB ALA 14 -0.413 -7.042 4.548 104 HB3 ALA 14 3HB ALA 14 -1.960 -7.881 4.414 105 H ARG 15 H ARG 15 -2.365 -9.949 3.890 106 HA ARG 15 HA ARG 15 -0.778 -11.642 5.597 107 HB2 ARG 15 2HB ARG 15 -2.889 -12.807 5.894 108 HB3 ARG 15 1HB ARG 15 -3.231 -11.081 5.776 109 HG2 ARG 15 2HG ARG 15 -4.470 -11.379 3.920 110 HG3 ARG 15 1HG ARG 15 -3.189 -12.314 3.148 111 HD2 ARG 15 2HD ARG 15 -5.276 -13.658 3.467 112 HD3 ARG 15 1HD ARG 15 -3.909 -14.335 4.361 113 HE ARG 15 HE ARG 15 -4.780 -13.253 6.402 114 HH11 ARG 15 1HH2 ARG 15 -6.908 -13.256 3.639 115 HH12 ARG 15 2HH2 ARG 15 -8.323 -13.034 4.601 116 HH21 ARG 15 1HH1 ARG 15 -6.636 -12.956 7.613 117 HH22 ARG 15 2HH1 ARG 15 -8.176 -12.865 6.825 118 H LYS 16 H LYS 16 -1.022 -11.572 2.237 119 HA LYS 16 HA LYS 16 -0.558 -14.513 1.952 120 HB2 LYS 16 2HB LYS 16 -2.201 -12.776 0.627 121 HB3 LYS 16 1HB LYS 16 -0.779 -12.745 -0.416 122 HG2 LYS 16 2HG LYS 16 -0.928 -15.394 -0.043 123 HG3 LYS 16 1HG LYS 16 -2.632 -15.003 0.190 124 HD2 LYS 16 2HD LYS 16 -2.164 -13.530 -2.010 125 HD3 LYS 16 1HD LYS 16 -0.957 -14.792 -2.261 126 HE2 LYS 16 2HE LYS 16 -3.149 -16.271 -1.491 127 HE3 LYS 16 1HE LYS 16 -3.896 -14.964 -2.431 128 HZ1 LYS 16 3HZ LYS 16 -3.063 -16.906 -3.770 129 HZ2 LYS 16 1HZ LYS 16 -1.488 -16.438 -3.345 130 HZ3 LYS 16 2HZ LYS 16 -2.470 -15.388 -4.248 131 H GLY 17 H GLY 17 1.414 -12.292 2.844 132 HA2 GLY 17 2HA GLY 17 3.708 -11.886 2.540 133 HA3 GLY 17 1HA GLY 17 3.740 -13.340 1.537 134 H PHE 18 H PHE 18 1.992 -10.262 1.118 135 HA PHE 18 HA PHE 18 3.035 -10.124 -1.671 136 HB2 PHE 18 2HB PHE 18 0.569 -9.706 -0.362 137 HB3 PHE 18 1HB PHE 18 1.106 -8.115 -0.885 138 HD1 PHE 18 1HD PHE 18 0.534 -11.605 -2.087 139 HD2 PHE 18 2HD PHE 18 0.945 -7.462 -3.147 140 HE1 PHE 18 1HE PHE 18 -0.173 -12.127 -4.405 141 HE2 PHE 18 2HE PHE 18 0.243 -7.987 -5.467 142 HZ PHE 18 HZ PHE 18 -0.320 -10.317 -6.096 143 H CYS 19 H CYS 19 2.987 -8.339 1.391 144 HA CYS 19 HA CYS 19 4.105 -5.889 0.319 145 HB2 CYS 19 2HB CYS 19 4.010 -7.047 3.124 146 HB3 CYS 19 1HB CYS 19 4.381 -5.369 2.735 147 H ASP 20 H ASP 20 5.541 -8.876 0.512 148 HA ASP 20 HA ASP 20 8.219 -7.705 1.183 149 HB2 ASP 20 2HB ASP 20 8.774 -10.034 1.814 150 HB3 ASP 20 1HB ASP 20 7.366 -9.447 2.703 151 H VAL 21 H VAL 21 6.427 -9.759 -1.097 152 HA VAL 21 HA VAL 21 8.843 -9.763 -2.875 153 HB VAL 21 HB VAL 21 7.537 -11.755 -3.890 154 HG11 VAL 21 1HG1 VAL 21 9.269 -11.515 -1.633 155 HG12 VAL 21 2HG1 VAL 21 9.094 -12.885 -2.729 156 HG13 VAL 21 3HG1 VAL 21 8.092 -12.782 -1.282 157 HG21 VAL 21 3HG2 VAL 21 5.432 -10.976 -2.557 158 HG22 VAL 21 1HG2 VAL 21 6.194 -11.795 -1.193 159 HG23 VAL 21 2HG2 VAL 21 5.779 -12.703 -2.646 160 H ARG 22 H ARG 22 5.364 -9.127 -2.713 161 HA ARG 22 HA ARG 22 5.352 -8.302 -5.574 162 HB2 ARG 22 2HB ARG 22 3.532 -9.486 -3.708 163 HB3 ARG 22 1HB ARG 22 2.840 -7.961 -4.258 164 HG2 ARG 22 2HG ARG 22 2.232 -9.888 -5.734 165 HG3 ARG 22 1HG ARG 22 3.113 -8.620 -6.587 166 HD2 ARG 22 2HD ARG 22 4.797 -10.048 -7.101 167 HD3 ARG 22 1HD ARG 22 4.945 -10.565 -5.409 168 HE ARG 22 HE ARG 22 3.343 -11.893 -7.471 169 HH11 ARG 22 1HH2 ARG 22 3.835 -11.273 -4.107 170 HH12 ARG 22 2HH2 ARG 22 2.988 -12.691 -3.590 171 HH21 ARG 22 1HH1 ARG 22 2.240 -13.747 -6.805 172 HH22 ARG 22 2HH1 ARG 22 2.091 -14.093 -5.115 173 H GLN 23 H GLN 23 6.081 -6.895 -2.663 174 HA GLN 23 HA GLN 23 4.702 -4.533 -2.324 175 HB2 GLN 23 2HB GLN 23 6.967 -3.591 -1.704 176 HB3 GLN 23 1HB GLN 23 6.627 -5.172 -0.992 177 HG2 GLN 23 2HG GLN 23 8.533 -5.924 -1.926 178 HG3 GLN 23 1HG GLN 23 7.780 -5.710 -3.506 179 HE21 GLN 23 1HE2 GLN 23 10.602 -5.286 -3.094 180 HE22 GLN 23 2HE2 GLN 23 10.923 -3.636 -3.327 181 H ARG 24 H ARG 24 6.726 -5.396 -5.059 182 HA ARG 24 HA ARG 24 7.339 -2.930 -6.225 183 HB2 ARG 24 2HB ARG 24 8.122 -4.964 -7.182 184 HB3 ARG 24 1HB ARG 24 6.489 -5.613 -7.328 185 HG2 ARG 24 2HG ARG 24 6.562 -3.149 -8.762 186 HG3 ARG 24 1HG ARG 24 7.969 -4.090 -9.249 187 HD2 ARG 24 2HD ARG 24 6.289 -6.081 -9.450 188 HD3 ARG 24 1HD ARG 24 5.051 -4.809 -9.498 189 HE ARG 24 HE ARG 24 7.273 -4.191 -11.250 190 HH11 ARG 24 1HH2 ARG 24 4.399 -6.076 -10.893 191 HH12 ARG 24 2HH2 ARG 24 4.084 -6.148 -12.594 192 HH21 ARG 24 1HH1 ARG 24 6.865 -4.274 -13.466 193 HH22 ARG 24 2HH1 ARG 24 5.473 -5.126 -14.047 194 H LEU 25 H LEU 25 4.282 -4.777 -6.603 195 HA LEU 25 HA LEU 25 3.059 -2.515 -8.062 196 HB2 LEU 25 2HB LEU 25 1.491 -4.105 -8.717 197 HB3 LEU 25 1HB LEU 25 2.878 -5.142 -8.396 198 HG LEU 25 HG LEU 25 1.909 -5.276 -5.971 199 HD11 LEU 25 1HD1 LEU 25 -0.149 -4.422 -5.581 200 HD12 LEU 25 2HD1 LEU 25 -0.783 -5.061 -7.098 201 HD13 LEU 25 3HD1 LEU 25 0.067 -3.515 -7.079 202 HD21 LEU 25 3HD2 LEU 25 0.090 -6.963 -7.035 203 HD22 LEU 25 1HD2 LEU 25 1.816 -7.320 -7.013 204 HD23 LEU 25 2HD2 LEU 25 1.073 -6.661 -8.469 205 H MET 26 H MET 26 2.836 -4.084 -4.896 206 HA MET 26 HA MET 26 0.452 -2.855 -3.944 207 HB2 MET 26 2HB MET 26 2.906 -4.141 -2.864 208 HB3 MET 26 1HB MET 26 1.983 -3.156 -1.728 209 HG2 MET 26 2HG MET 26 0.324 -4.922 -3.398 210 HG3 MET 26 1HG MET 26 1.424 -5.777 -2.314 211 HE1 MET 26 3HE MET 26 -0.575 -6.772 -0.567 212 HE2 MET 26 1HE MET 26 -0.105 -5.847 0.865 213 HE3 MET 26 2HE MET 26 1.111 -6.335 -0.312 214 H LYS 27 H LYS 27 3.857 -1.806 -3.659 215 HA LYS 27 HA LYS 27 3.581 0.509 -2.128 216 HB2 LYS 27 2HB LYS 27 5.720 -0.333 -2.817 217 HB3 LYS 27 1HB LYS 27 5.304 -0.169 -4.523 218 HG2 LYS 27 2HG LYS 27 5.377 2.214 -4.413 219 HG3 LYS 27 1HG LYS 27 5.417 2.204 -2.649 220 HD2 LYS 27 2HD LYS 27 7.658 2.629 -3.744 221 HD3 LYS 27 1HD LYS 27 7.636 1.258 -2.634 222 HE2 LYS 27 2HE LYS 27 7.261 -0.267 -4.594 223 HE3 LYS 27 1HE LYS 27 7.464 1.135 -5.666 224 HZ1 LYS 27 3HZ LYS 27 9.628 0.528 -5.506 225 HZ2 LYS 27 1HZ LYS 27 9.435 -0.228 -4.002 226 HZ3 LYS 27 2HZ LYS 27 9.555 1.464 -4.091 227 H ARG 28 H ARG 28 2.408 -0.043 -5.368 228 HA ARG 28 HA ARG 28 2.004 2.875 -5.811 229 HB2 ARG 28 2HB ARG 28 2.352 0.436 -7.412 230 HB3 ARG 28 1HB ARG 28 1.097 1.510 -8.030 231 HG2 ARG 28 2HG ARG 28 3.502 2.948 -7.182 232 HG3 ARG 28 1HG ARG 28 3.812 1.795 -8.480 233 HD2 ARG 28 2HD ARG 28 3.133 4.080 -9.314 234 HD3 ARG 28 1HD ARG 28 2.032 2.793 -9.842 235 HE ARG 28 HE ARG 28 0.369 3.694 -8.415 236 HH11 ARG 28 1HH2 ARG 28 3.518 4.903 -7.675 237 HH12 ARG 28 2HH2 ARG 28 2.945 6.060 -6.522 238 HH21 ARG 28 1HH1 ARG 28 -0.390 5.207 -6.911 239 HH22 ARG 28 2HH1 ARG 28 0.739 6.233 -6.090 240 H LEU 29 H LEU 29 -0.008 0.086 -6.727 241 HA LEU 29 HA LEU 29 -2.445 1.648 -6.245 242 HB2 LEU 29 2HB LEU 29 -3.467 -0.518 -7.132 243 HB3 LEU 29 1HB LEU 29 -2.332 0.303 -8.206 244 HG LEU 29 HG LEU 29 -1.014 -1.576 -6.388 245 HD11 LEU 29 1HD1 LEU 29 -3.470 -2.404 -7.662 246 HD12 LEU 29 2HD1 LEU 29 -2.391 -3.340 -6.625 247 HD13 LEU 29 3HD1 LEU 29 -2.107 -3.276 -8.365 248 HD21 LEU 29 3HD2 LEU 29 0.364 -1.830 -8.205 249 HD22 LEU 29 1HD2 LEU 29 -0.419 -0.339 -8.729 250 HD23 LEU 29 2HD2 LEU 29 -0.981 -1.895 -9.343 251 H CYS 30 H CYS 30 -0.568 -0.074 -4.083 252 HA CYS 30 HA CYS 30 -2.855 -0.341 -2.247 253 HB2 CYS 30 2HB CYS 30 -1.677 -2.557 -3.789 254 HB3 CYS 30 1HB CYS 30 -1.869 -2.894 -2.067 255 HA PRO 31 HA PRO 31 1.477 0.003 -0.401 256 HB2 PRO 31 2HB PRO 31 1.624 2.698 0.024 257 HB3 PRO 31 1HB PRO 31 2.202 1.926 -1.468 258 HG2 PRO 31 2HG PRO 31 -0.280 3.467 -0.969 259 HG3 PRO 31 1HG PRO 31 0.698 3.342 -2.440 260 HD2 PRO 31 2HD PRO 31 -1.699 2.014 -1.981 261 HD3 PRO 31 1HD PRO 31 -0.487 1.569 -3.204 262 H ARG 32 H ARG 32 -1.643 1.460 0.292 263 HA ARG 32 HA ARG 32 -1.225 2.218 3.014 264 HB2 ARG 32 2HB ARG 32 -3.712 2.107 3.079 265 HB3 ARG 32 1HB ARG 32 -3.128 2.910 1.621 266 HG2 ARG 32 2HG ARG 32 -4.687 1.435 0.719 267 HG3 ARG 32 1HG ARG 32 -3.212 0.473 0.612 268 HD2 ARG 32 2HD ARG 32 -4.004 -1.060 2.089 269 HD3 ARG 32 1HD ARG 32 -4.536 0.204 3.214 270 HE ARG 32 HE ARG 32 -6.219 0.166 0.871 271 HH11 ARG 32 1HH2 ARG 32 -5.496 -1.443 3.840 272 HH12 ARG 32 2HH2 ARG 32 -7.082 -2.115 4.014 273 HH21 ARG 32 1HH1 ARG 32 -8.295 -0.708 1.087 274 HH22 ARG 32 2HH1 ARG 32 -8.663 -1.702 2.457 275 H SER 33 H SER 33 -1.164 -0.901 1.655 276 HA SER 33 HA SER 33 -2.190 -2.209 4.126 277 HB2 SER 33 2HB SER 33 -1.903 -2.819 1.287 278 HB3 SER 33 1HB SER 33 -1.311 -4.134 2.302 279 HG SER 33 HG SER 33 -3.372 -3.791 3.491 280 H CYS 34 H CYS 34 0.816 -1.490 2.476 281 HA CYS 34 HA CYS 34 2.273 -3.213 4.456 282 HB2 CYS 34 2HB CYS 34 3.353 -2.149 1.845 283 HB3 CYS 34 1HB CYS 34 3.911 -3.543 2.767 284 H ASP 35 H ASP 35 1.342 -0.159 4.286 285 HA ASP 35 HA ASP 35 2.220 1.893 5.064 286 HB2 ASP 35 2HB ASP 35 2.648 0.427 6.993 287 HB3 ASP 35 1HB ASP 35 4.175 -0.092 6.271 288 H PHE 36 H PHE 36 3.251 0.671 2.484 289 HA PHE 36 HA PHE 36 6.052 1.164 2.183 290 HB2 PHE 36 2HB PHE 36 3.683 1.205 0.301 291 HB3 PHE 36 1HB PHE 36 5.350 1.337 -0.259 292 HD1 PHE 36 2HD PHE 36 6.348 -0.571 2.125 293 HD2 PHE 36 1HD PHE 36 3.377 -0.896 -0.967 294 HE1 PHE 36 2HE PHE 36 6.560 -3.033 2.177 295 HE2 PHE 36 1HE PHE 36 3.604 -3.359 -0.914 296 HZ PHE 36 HZ PHE 36 5.192 -4.428 0.658 297 H CYS 37 H CYS 37 3.328 3.333 2.350 298 HA CYS 37 HA CYS 37 5.001 5.668 2.522 299 HB2 CYS 37 2HB CYS 37 4.342 6.608 0.299 300 HB3 CYS 37 1HB CYS 37 5.336 5.156 0.155 301 HXT CYS 37 2H CYS 37 2.020 7.171 3.679 Start of MODEL 5 1 H1 TYR 1 H TYR 1 -5.258 11.887 2.793 2 HA TYR 1 HA TYR 1 -3.699 13.719 2.216 3 HB2 TYR 1 2HB TYR 1 -2.851 12.138 3.870 4 HB3 TYR 1 1HB TYR 1 -2.334 11.036 2.592 5 HD1 TYR 1 2HD TYR 1 -2.050 14.758 2.870 6 HD2 TYR 1 1HD TYR 1 0.015 10.999 2.631 7 HE1 TYR 1 2HE TYR 1 0.115 15.958 2.710 8 HE2 TYR 1 1HE TYR 1 2.180 12.199 2.471 9 HH TYR 1 HH TYR 1 2.362 15.599 1.942 10 H GLY 2 H GLY 2 -2.767 10.726 0.456 11 HA2 GLY 2 2HA GLY 2 -2.797 11.939 -2.125 12 HA3 GLY 2 1HA GLY 2 -1.155 12.025 -1.487 13 H CYS 3 H CYS 3 -0.125 9.951 -0.867 14 HA CYS 3 HA CYS 3 -0.906 7.804 -2.755 15 HB2 CYS 3 2HB CYS 3 1.340 6.940 -2.135 16 HB3 CYS 3 1HB CYS 3 1.407 8.626 -2.644 17 H LEU 4 H LEU 4 -1.533 5.739 -2.092 18 HA LEU 4 HA LEU 4 -1.284 4.680 0.555 19 HB2 LEU 4 2HB LEU 4 -3.864 4.937 0.999 20 HB3 LEU 4 1HB LEU 4 -2.786 6.275 1.379 21 HG LEU 4 HG LEU 4 -3.572 6.479 -1.380 22 HD11 LEU 4 1HD1 LEU 4 -5.516 5.092 -0.566 23 HD12 LEU 4 2HD1 LEU 4 -5.966 6.685 -1.178 24 HD13 LEU 4 3HD1 LEU 4 -5.895 6.396 0.561 25 HD21 LEU 4 3HD2 LEU 4 -2.820 8.284 0.210 26 HD22 LEU 4 1HD2 LEU 4 -4.380 8.147 1.022 27 HD23 LEU 4 2HD2 LEU 4 -4.303 8.678 -0.659 28 H ASP 5 H ASP 5 -4.074 4.677 -1.691 29 HA ASP 5 HA ASP 5 -3.336 2.070 -2.756 30 HB2 ASP 5 2HB ASP 5 -4.880 0.785 -1.536 31 HB3 ASP 5 1HB ASP 5 -4.240 1.878 -0.318 32 H ARG 6 H ARG 6 -4.921 1.344 -4.396 33 HA ARG 6 HA ARG 6 -6.924 3.429 -5.181 34 HB2 ARG 6 2HB ARG 6 -4.687 2.157 -6.768 35 HB3 ARG 6 1HB ARG 6 -6.067 2.917 -7.563 36 HG2 ARG 6 2HG ARG 6 -5.527 4.923 -5.947 37 HG3 ARG 6 1HG ARG 6 -3.931 4.177 -5.872 38 HD2 ARG 6 2HD ARG 6 -3.446 4.677 -8.070 39 HD3 ARG 6 1HD ARG 6 -5.137 4.518 -8.586 40 HE ARG 6 HE ARG 6 -3.906 6.963 -7.678 41 HH11 ARG 6 1HH2 ARG 6 -6.777 5.051 -7.507 42 HH12 ARG 6 2HH2 ARG 6 -7.817 6.405 -7.225 43 HH21 ARG 6 1HH1 ARG 6 -5.256 8.737 -7.310 44 HH22 ARG 6 2HH1 ARG 6 -6.958 8.487 -7.108 45 H ILE 7 H ILE 7 -6.957 0.551 -4.004 46 HA ILE 7 HA ILE 7 -9.081 -0.428 -5.834 47 HB ILE 7 HB ILE 7 -7.946 -2.686 -5.857 48 HG12 ILE 7 2HG1 ILE 7 -5.971 -1.075 -4.292 49 HG13 ILE 7 1HG1 ILE 7 -6.409 -2.773 -4.133 50 HG21 ILE 7 1HG2 ILE 7 -6.358 -0.384 -7.039 51 HG22 ILE 7 2HG2 ILE 7 -7.815 -1.079 -7.750 52 HG23 ILE 7 3HG2 ILE 7 -6.352 -2.052 -7.611 53 HD11 ILE 7 3HD1 ILE 7 -5.237 -3.067 -6.433 54 HD12 ILE 7 1HD1 ILE 7 -4.228 -2.859 -5.004 55 HD13 ILE 7 2HD1 ILE 7 -4.505 -1.500 -6.091 56 H PHE 8 H PHE 8 -9.375 -2.967 -4.644 57 HA PHE 8 HA PHE 8 -9.746 -2.407 -1.730 58 HB2 PHE 8 2HB PHE 8 -11.762 -1.805 -3.142 59 HB3 PHE 8 1HB PHE 8 -11.874 -3.510 -3.588 60 HD1 PHE 8 1HD PHE 8 -11.474 -1.406 -0.502 61 HD2 PHE 8 2HD PHE 8 -13.271 -4.862 -2.311 62 HE1 PHE 8 1HE PHE 8 -12.698 -1.871 1.604 63 HE2 PHE 8 2HE PHE 8 -14.494 -5.329 -0.204 64 HZ PHE 8 HZ PHE 8 -14.209 -3.833 1.752 65 H VAL 9 H VAL 9 -7.867 -4.175 -3.168 66 HA VAL 9 HA VAL 9 -8.827 -6.803 -2.088 67 HB VAL 9 HB VAL 9 -9.000 -6.798 -4.514 68 HG11 VAL 9 1HG1 VAL 9 -6.369 -6.529 -5.430 69 HG12 VAL 9 2HG1 VAL 9 -6.564 -5.219 -4.263 70 HG13 VAL 9 3HG1 VAL 9 -7.671 -5.356 -5.631 71 HG21 VAL 9 3HG2 VAL 9 -6.378 -8.191 -4.057 72 HG22 VAL 9 1HG2 VAL 9 -7.811 -8.763 -4.914 73 HG23 VAL 9 2HG2 VAL 9 -7.796 -8.721 -3.150 74 H CYS 10 H CYS 10 -6.697 -4.416 -1.552 75 HA CYS 10 HA CYS 10 -4.148 -5.771 -1.456 76 HB2 CYS 10 2HB CYS 10 -5.214 -3.381 0.083 77 HB3 CYS 10 1HB CYS 10 -3.511 -3.778 -0.167 78 H THR 11 H THR 11 -6.676 -5.131 0.992 79 HA THR 11 HA THR 11 -5.499 -6.032 3.325 80 HB THR 11 HB THR 11 -7.936 -5.285 2.656 81 HG1 THR 11 1HG THR 11 -7.977 -7.227 4.641 82 HG21 THR 11 3HG2 THR 11 -8.428 -7.270 1.278 83 HG22 THR 11 1HG2 THR 11 -9.540 -7.153 2.640 84 HG23 THR 11 2HG2 THR 11 -8.206 -8.304 2.688 85 H SER 12 H SER 12 -6.849 -8.075 0.729 86 HA SER 12 HA SER 12 -6.245 -10.590 2.032 87 HB2 SER 12 2HB SER 12 -7.772 -9.773 -0.053 88 HB3 SER 12 1HB SER 12 -6.366 -10.356 -0.939 89 HG SER 12 HG SER 12 -6.588 -12.313 0.341 90 H TRP 13 H TRP 13 -4.547 -8.467 -0.236 91 HA TRP 13 HA TRP 13 -2.400 -10.197 -0.961 92 HB2 TRP 13 2HB TRP 13 -2.774 -7.206 -0.698 93 HB3 TRP 13 1HB TRP 13 -1.269 -7.897 -1.308 94 HD1 TRP 13 HD TRP 13 -3.503 -10.324 -2.494 95 HE1 TRP 13 1HE TRP 13 -4.387 -9.830 -4.865 96 HE3 TRP 13 3HE TRP 13 -2.324 -5.374 -2.863 97 HZ2 TRP 13 2HZ TRP 13 -4.568 -7.622 -6.680 98 HZ3 TRP 13 3HZ TRP 13 -2.860 -4.100 -4.911 99 HH2 TRP 13 HH TRP 13 -3.982 -5.212 -6.821 100 H ALA 14 H ALA 14 -2.364 -7.566 1.488 101 HA ALA 14 HA ALA 14 0.144 -8.273 2.652 102 HB1 ALA 14 1HB ALA 14 -1.540 -7.131 4.623 103 HB2 ALA 14 2HB ALA 14 -2.074 -6.468 3.079 104 HB3 ALA 14 3HB ALA 14 -0.394 -6.284 3.583 105 H ARG 15 H ARG 15 -2.932 -9.794 2.855 106 HA ARG 15 HA ARG 15 -2.650 -10.968 5.498 107 HB2 ARG 15 2HB ARG 15 -4.744 -10.514 4.068 108 HB3 ARG 15 1HB ARG 15 -4.310 -11.973 3.179 109 HG2 ARG 15 2HG ARG 15 -4.737 -13.365 4.978 110 HG3 ARG 15 1HG ARG 15 -4.396 -12.107 6.167 111 HD2 ARG 15 2HD ARG 15 -6.524 -11.141 5.951 112 HD3 ARG 15 1HD ARG 15 -6.773 -11.824 4.332 113 HE ARG 15 HE ARG 15 -6.430 -14.016 6.068 114 HH11 ARG 15 1HH2 ARG 15 -8.576 -11.342 5.636 115 HH12 ARG 15 2HH2 ARG 15 -9.953 -12.178 6.272 116 HH21 ARG 15 1HH1 ARG 15 -8.219 -15.114 6.902 117 HH22 ARG 15 2HH1 ARG 15 -9.750 -14.310 6.991 118 H LYS 16 H LYS 16 -1.040 -11.586 2.572 119 HA LYS 16 HA LYS 16 -0.380 -14.359 3.512 120 HB2 LYS 16 2HB LYS 16 -1.942 -13.940 1.426 121 HB3 LYS 16 1HB LYS 16 -0.416 -13.605 0.606 122 HG2 LYS 16 2HG LYS 16 -0.869 -15.953 0.317 123 HG3 LYS 16 1HG LYS 16 0.436 -15.817 1.496 124 HD2 LYS 16 2HD LYS 16 -1.548 -15.786 3.237 125 HD3 LYS 16 1HD LYS 16 -2.436 -16.567 1.929 126 HE2 LYS 16 2HE LYS 16 -1.411 -18.539 2.372 127 HE3 LYS 16 1HE LYS 16 0.184 -17.779 2.201 128 HZ1 LYS 16 3HZ LYS 16 -0.741 -18.661 4.530 129 HZ2 LYS 16 1HZ LYS 16 -1.339 -17.075 4.579 130 HZ3 LYS 16 2HZ LYS 16 0.329 -17.347 4.401 131 H GLY 17 H GLY 17 0.793 -11.275 2.648 132 HA2 GLY 17 2HA GLY 17 3.198 -10.863 3.170 133 HA3 GLY 17 1HA GLY 17 3.553 -12.409 2.389 134 H PHE 18 H PHE 18 1.117 -10.577 0.839 135 HA PHE 18 HA PHE 18 2.358 -10.406 -1.672 136 HB2 PHE 18 2HB PHE 18 -0.051 -9.949 -0.823 137 HB3 PHE 18 1HB PHE 18 0.504 -8.300 -0.551 138 HD1 PHE 18 2HD PHE 18 1.627 -7.084 -2.539 139 HD2 PHE 18 1HD PHE 18 -0.757 -10.633 -2.964 140 HE1 PHE 18 2HE PHE 18 1.298 -6.576 -4.944 141 HE2 PHE 18 1HE PHE 18 -1.088 -10.122 -5.367 142 HZ PHE 18 HZ PHE 18 -0.061 -8.093 -6.357 143 H CYS 19 H CYS 19 2.177 -7.835 0.816 144 HA CYS 19 HA CYS 19 3.678 -5.839 -0.461 145 HB2 CYS 19 2HB CYS 19 2.810 -5.086 1.516 146 HB3 CYS 19 1HB CYS 19 2.930 -6.668 2.277 147 H ASP 20 H ASP 20 4.830 -8.807 1.073 148 HA ASP 20 HA ASP 20 7.638 -7.934 1.032 149 HB2 ASP 20 2HB ASP 20 6.117 -9.676 2.505 150 HB3 ASP 20 1HB ASP 20 6.968 -10.780 1.420 151 H VAL 21 H VAL 21 6.054 -10.827 -0.392 152 HA VAL 21 HA VAL 21 8.194 -11.240 -2.285 153 HB VAL 21 HB VAL 21 6.871 -13.072 -1.490 154 HG11 VAL 21 1HG1 VAL 21 4.606 -11.281 -2.210 155 HG12 VAL 21 2HG1 VAL 21 4.791 -12.358 -0.830 156 HG13 VAL 21 3HG1 VAL 21 4.351 -13.012 -2.406 157 HG21 VAL 21 3HG2 VAL 21 7.156 -13.985 -3.529 158 HG22 VAL 21 1HG2 VAL 21 7.009 -12.404 -4.297 159 HG23 VAL 21 2HG2 VAL 21 5.566 -13.367 -3.977 160 H ARG 22 H ARG 22 5.086 -9.556 -2.480 161 HA ARG 22 HA ARG 22 5.528 -9.067 -5.390 162 HB2 ARG 22 2HB ARG 22 3.195 -8.485 -3.544 163 HB3 ARG 22 1HB ARG 22 3.180 -8.317 -5.298 164 HG2 ARG 22 2HG ARG 22 3.454 -10.856 -3.679 165 HG3 ARG 22 1HG ARG 22 2.190 -10.444 -4.839 166 HD2 ARG 22 2HD ARG 22 5.106 -11.041 -5.445 167 HD3 ARG 22 1HD ARG 22 3.683 -11.955 -5.981 168 HE ARG 22 HE ARG 22 4.634 -9.454 -7.146 169 HH11 ARG 22 1HH2 ARG 22 1.921 -11.483 -6.477 170 HH12 ARG 22 2HH2 ARG 22 0.974 -10.869 -7.789 171 HH21 ARG 22 1HH1 ARG 22 3.409 -8.648 -8.864 172 HH22 ARG 22 2HH1 ARG 22 1.815 -9.269 -9.141 173 H GLN 23 H GLN 23 6.416 -7.646 -2.539 174 HA GLN 23 HA GLN 23 5.784 -5.009 -2.363 175 HB2 GLN 23 2HB GLN 23 7.765 -6.575 -1.444 176 HB3 GLN 23 1HB GLN 23 8.696 -5.607 -2.589 177 HG2 GLN 23 2HG GLN 23 6.823 -4.317 -0.606 178 HG3 GLN 23 1HG GLN 23 8.490 -4.705 -0.178 179 HE21 GLN 23 1HE2 GLN 23 10.099 -3.945 -2.104 180 HE22 GLN 23 2HE2 GLN 23 9.825 -2.362 -2.652 181 H ARG 24 H ARG 24 7.577 -6.423 -5.069 182 HA ARG 24 HA ARG 24 8.465 -3.929 -6.219 183 HB2 ARG 24 2HB ARG 24 9.122 -5.326 -8.042 184 HB3 ARG 24 1HB ARG 24 9.282 -6.328 -6.599 185 HG2 ARG 24 2HG ARG 24 6.682 -6.811 -7.274 186 HG3 ARG 24 1HG ARG 24 7.401 -6.577 -8.867 187 HD2 ARG 24 2HD ARG 24 9.221 -8.182 -7.375 188 HD3 ARG 24 1HD ARG 24 7.602 -8.879 -7.158 189 HE ARG 24 HE ARG 24 8.148 -8.077 -9.915 190 HH11 ARG 24 1HH2 ARG 24 8.430 -10.532 -7.501 191 HH12 ARG 24 2HH2 ARG 24 8.541 -11.825 -8.646 192 HH21 ARG 24 1HH1 ARG 24 8.291 -9.761 -11.417 193 HH22 ARG 24 2HH1 ARG 24 8.462 -11.391 -10.859 194 H LEU 25 H LEU 25 5.450 -5.734 -6.407 195 HA LEU 25 HA LEU 25 4.466 -3.980 -8.605 196 HB2 LEU 25 2HB LEU 25 4.137 -6.351 -8.884 197 HB3 LEU 25 1HB LEU 25 3.475 -6.506 -7.256 198 HG LEU 25 HG LEU 25 2.015 -4.511 -8.773 199 HD11 LEU 25 1HD1 LEU 25 2.633 -7.114 -10.076 200 HD12 LEU 25 2HD1 LEU 25 2.219 -5.561 -10.804 201 HD13 LEU 25 3HD1 LEU 25 0.951 -6.584 -10.129 202 HD21 LEU 25 3HD2 LEU 25 0.156 -6.231 -8.188 203 HD22 LEU 25 1HD2 LEU 25 0.990 -5.438 -6.853 204 HD23 LEU 25 2HD2 LEU 25 1.423 -7.085 -7.311 205 H MET 26 H MET 26 3.577 -5.007 -5.299 206 HA MET 26 HA MET 26 1.246 -3.355 -5.047 207 HB2 MET 26 2HB MET 26 1.967 -5.359 -3.687 208 HB3 MET 26 1HB MET 26 3.155 -4.320 -2.900 209 HG2 MET 26 2HG MET 26 1.585 -3.456 -1.536 210 HG3 MET 26 1HG MET 26 0.551 -3.051 -2.906 211 HE1 MET 26 3HE MET 26 1.158 -5.155 0.109 212 HE2 MET 26 1HE MET 26 -0.485 -5.793 0.272 213 HE3 MET 26 2HE MET 26 -0.223 -4.059 0.096 214 H LYS 27 H LYS 27 4.469 -2.395 -5.319 215 HA LYS 27 HA LYS 27 4.764 -0.361 -3.366 216 HB2 LYS 27 2HB LYS 27 6.155 -1.431 -5.511 217 HB3 LYS 27 1HB LYS 27 5.872 0.237 -6.008 218 HG2 LYS 27 2HG LYS 27 6.587 0.427 -3.311 219 HG3 LYS 27 1HG LYS 27 7.682 -0.788 -3.973 220 HD2 LYS 27 2HD LYS 27 8.884 0.836 -4.959 221 HD3 LYS 27 1HD LYS 27 7.462 1.322 -5.883 222 HE2 LYS 27 2HE LYS 27 6.990 3.079 -4.479 223 HE3 LYS 27 1HE LYS 27 7.530 2.200 -3.035 224 HZ1 LYS 27 3HZ LYS 27 8.987 4.041 -4.526 225 HZ2 LYS 27 1HZ LYS 27 9.692 2.528 -4.826 226 HZ3 LYS 27 2HZ LYS 27 9.540 3.092 -3.231 227 H ARG 28 H ARG 28 3.257 -0.175 -6.622 228 HA ARG 28 HA ARG 28 2.588 2.679 -6.093 229 HB2 ARG 28 2HB ARG 28 2.690 0.863 -8.492 230 HB3 ARG 28 1HB ARG 28 1.868 2.422 -8.577 231 HG2 ARG 28 2HG ARG 28 4.705 2.129 -7.570 232 HG3 ARG 28 1HG ARG 28 4.321 2.446 -9.262 233 HD2 ARG 28 2HD ARG 28 4.225 4.650 -8.735 234 HD3 ARG 28 1HD ARG 28 2.777 4.288 -7.773 235 HE ARG 28 HE ARG 28 5.305 3.648 -6.428 236 HH11 ARG 28 1HH2 ARG 28 2.843 5.989 -7.066 237 HH12 ARG 28 2HH2 ARG 28 3.152 6.893 -5.624 238 HH21 ARG 28 1HH1 ARG 28 5.718 4.829 -4.548 239 HH22 ARG 28 2HH1 ARG 28 4.775 6.240 -4.202 240 H LEU 29 H LEU 29 0.851 -0.184 -7.414 241 HA LEU 29 HA LEU 29 -1.731 0.936 -7.336 242 HB2 LEU 29 2HB LEU 29 -2.403 -1.550 -7.145 243 HB3 LEU 29 1HB LEU 29 -1.402 -1.075 -8.518 244 HG LEU 29 HG LEU 29 0.416 -1.677 -6.452 245 HD11 LEU 29 1HD1 LEU 29 -0.396 -4.158 -6.169 246 HD12 LEU 29 2HD1 LEU 29 -1.989 -3.470 -6.482 247 HD13 LEU 29 3HD1 LEU 29 -1.039 -2.906 -5.107 248 HD21 LEU 29 3HD2 LEU 29 -0.444 -2.741 -9.078 249 HD22 LEU 29 1HD2 LEU 29 0.420 -3.887 -8.055 250 HD23 LEU 29 2HD2 LEU 29 1.176 -2.357 -8.501 251 H CYS 30 H CYS 30 0.132 -0.341 -4.601 252 HA CYS 30 HA CYS 30 -1.998 0.643 -2.810 253 HB2 CYS 30 2HB CYS 30 -2.205 -1.902 -3.767 254 HB3 CYS 30 1HB CYS 30 -1.295 -2.174 -2.276 255 HA PRO 31 HA PRO 31 2.288 0.746 -1.016 256 HB2 PRO 31 2HB PRO 31 2.376 3.455 -0.665 257 HB3 PRO 31 1HB PRO 31 2.868 2.672 -2.183 258 HG2 PRO 31 2HG PRO 31 0.334 4.080 -1.510 259 HG3 PRO 31 1HG PRO 31 1.248 4.065 -3.027 260 HD2 PRO 31 2HD PRO 31 -1.015 2.590 -2.587 261 HD3 PRO 31 1HD PRO 31 0.246 2.162 -3.761 262 H ARG 32 H ARG 32 -0.896 1.517 -0.176 263 HA ARG 32 HA ARG 32 -0.676 2.791 2.354 264 HB2 ARG 32 2HB ARG 32 -2.764 2.628 1.188 265 HB3 ARG 32 1HB ARG 32 -2.664 0.869 1.124 266 HG2 ARG 32 2HG ARG 32 -4.172 1.275 2.894 267 HG3 ARG 32 1HG ARG 32 -2.643 0.984 3.717 268 HD2 ARG 32 2HD ARG 32 -2.757 3.770 3.069 269 HD3 ARG 32 1HD ARG 32 -4.280 3.321 3.860 270 HE ARG 32 HE ARG 32 -1.665 3.331 5.124 271 HH11 ARG 32 1HH2 ARG 32 -4.733 1.749 4.951 272 HH12 ARG 32 2HH2 ARG 32 -4.679 1.188 6.588 273 HH21 ARG 32 1HH1 ARG 32 -1.590 2.604 7.259 274 HH22 ARG 32 2HH1 ARG 32 -2.903 1.669 7.891 275 H SER 33 H SER 33 -1.336 -0.677 1.768 276 HA SER 33 HA SER 33 -1.225 -1.810 4.224 277 HB2 SER 33 2HB SER 33 0.025 -2.599 1.603 278 HB3 SER 33 1HB SER 33 0.151 -3.665 3.004 279 HG SER 33 HG SER 33 -1.710 -4.178 1.875 280 H CYS 34 H CYS 34 1.880 -2.047 2.508 281 HA CYS 34 HA CYS 34 3.303 -1.864 5.074 282 HB2 CYS 34 2HB CYS 34 3.868 -2.580 2.232 283 HB3 CYS 34 1HB CYS 34 5.235 -2.125 3.251 284 H ASP 35 H ASP 35 1.970 0.557 3.562 285 HA ASP 35 HA ASP 35 2.515 2.827 3.168 286 HB2 ASP 35 2HB ASP 35 4.356 1.961 5.417 287 HB3 ASP 35 1HB ASP 35 4.081 3.650 4.975 288 H PHE 36 H PHE 36 3.718 1.328 1.192 289 HA PHE 36 HA PHE 36 6.571 1.484 1.031 290 HB2 PHE 36 2HB PHE 36 4.361 1.484 -1.052 291 HB3 PHE 36 1HB PHE 36 6.070 1.277 -1.442 292 HD1 PHE 36 2HD PHE 36 6.838 -0.327 1.056 293 HD2 PHE 36 1HD PHE 36 3.560 -0.680 -1.702 294 HE1 PHE 36 2HE PHE 36 6.657 -2.743 1.575 295 HE2 PHE 36 1HE PHE 36 3.387 -3.095 -1.184 296 HZ PHE 36 HZ PHE 36 4.935 -4.126 0.449 297 H CYS 37 H CYS 37 4.204 3.944 0.998 298 HA CYS 37 HA CYS 37 5.499 5.830 -0.784 299 HB2 CYS 37 2HB CYS 37 3.066 5.655 0.190 300 HB3 CYS 37 1HB CYS 37 3.738 6.558 1.551 301 HXT CYS 37 2H CYS 37 7.183 7.980 1.713 Start of MODEL 6 1 H1 TYR 1 H TYR 1 4.749 10.815 3.952 2 HA TYR 1 HA TYR 1 2.692 9.509 3.372 3 HB2 TYR 1 2HB TYR 1 2.265 11.962 5.107 4 HB3 TYR 1 1HB TYR 1 1.180 10.572 5.074 5 HD1 TYR 1 1HD TYR 1 2.322 8.225 5.438 6 HD2 TYR 1 2HD TYR 1 4.050 11.975 6.620 7 HE1 TYR 1 1HE TYR 1 3.783 7.042 7.053 8 HE2 TYR 1 2HE TYR 1 5.512 10.792 8.236 9 HH TYR 1 HH TYR 1 6.438 8.142 8.275 10 H GLY 2 H GLY 2 1.812 9.635 1.299 11 HA2 GLY 2 2HA GLY 2 -0.434 11.334 0.834 12 HA3 GLY 2 1HA GLY 2 0.958 11.992 -0.027 13 H CYS 3 H CYS 3 -0.927 8.995 0.375 14 HA CYS 3 HA CYS 3 -0.802 8.496 -2.514 15 HB2 CYS 3 2HB CYS 3 1.033 7.279 -0.557 16 HB3 CYS 3 1HB CYS 3 0.213 6.104 -1.586 17 H LEU 4 H LEU 4 -1.842 6.191 -2.899 18 HA LEU 4 HA LEU 4 -3.561 5.130 -0.806 19 HB2 LEU 4 2HB LEU 4 -5.677 5.936 -1.916 20 HB3 LEU 4 1HB LEU 4 -4.715 7.231 -1.203 21 HG LEU 4 HG LEU 4 -3.936 6.640 -3.962 22 HD11 LEU 4 1HD1 LEU 4 -6.199 8.106 -4.502 23 HD12 LEU 4 2HD1 LEU 4 -6.789 6.959 -3.300 24 HD13 LEU 4 3HD1 LEU 4 -6.036 6.373 -4.783 25 HD21 LEU 4 3HD2 LEU 4 -5.030 9.281 -3.337 26 HD22 LEU 4 1HD2 LEU 4 -3.407 8.839 -3.871 27 HD23 LEU 4 2HD2 LEU 4 -3.826 8.757 -2.160 28 H ASP 5 H ASP 5 -5.057 3.468 -1.726 29 HA ASP 5 HA ASP 5 -3.778 2.111 -4.036 30 HB2 ASP 5 2HB ASP 5 -4.929 0.170 -3.140 31 HB3 ASP 5 1HB ASP 5 -4.179 1.033 -1.796 32 H ARG 6 H ARG 6 -5.658 0.709 -5.234 33 HA ARG 6 HA ARG 6 -8.018 2.441 -5.794 34 HB2 ARG 6 2HB ARG 6 -5.854 1.573 -7.725 35 HB3 ARG 6 1HB ARG 6 -7.438 2.124 -8.273 36 HG2 ARG 6 2HG ARG 6 -7.122 4.273 -7.163 37 HG3 ARG 6 1HG ARG 6 -5.589 3.725 -6.480 38 HD2 ARG 6 2HD ARG 6 -4.703 4.742 -8.341 39 HD3 ARG 6 1HD ARG 6 -5.179 3.234 -9.148 40 HE ARG 6 HE ARG 6 -7.383 5.124 -8.960 41 HH11 ARG 6 1HH2 ARG 6 -4.554 4.182 -10.706 42 HH12 ARG 6 2HH2 ARG 6 -5.078 4.894 -12.194 43 HH21 ARG 6 1HH1 ARG 6 -8.075 6.059 -10.897 44 HH22 ARG 6 2HH1 ARG 6 -7.067 5.955 -12.302 45 H ILE 7 H ILE 7 -7.428 -0.343 -4.629 46 HA ILE 7 HA ILE 7 -9.370 -1.801 -6.377 47 HB ILE 7 HB ILE 7 -7.964 -3.728 -6.402 48 HG12 ILE 7 2HG1 ILE 7 -6.642 -2.334 -4.095 49 HG13 ILE 7 1HG1 ILE 7 -7.132 -4.019 -4.251 50 HG21 ILE 7 1HG2 ILE 7 -5.922 -2.892 -7.440 51 HG22 ILE 7 2HG2 ILE 7 -6.123 -1.328 -6.648 52 HG23 ILE 7 3HG2 ILE 7 -7.264 -1.839 -7.891 53 HD11 ILE 7 3HD1 ILE 7 -4.793 -2.738 -5.693 54 HD12 ILE 7 1HD1 ILE 7 -5.281 -4.429 -5.817 55 HD13 ILE 7 2HD1 ILE 7 -4.674 -3.795 -4.286 56 H PHE 8 H PHE 8 -9.110 -4.205 -4.691 57 HA PHE 8 HA PHE 8 -10.017 -3.213 -2.024 58 HB2 PHE 8 2HB PHE 8 -11.913 -3.421 -3.675 59 HB3 PHE 8 1HB PHE 8 -11.567 -5.152 -3.765 60 HD1 PHE 8 1HD PHE 8 -12.690 -2.404 -1.550 61 HD2 PHE 8 2HD PHE 8 -12.132 -6.642 -1.961 62 HE1 PHE 8 1HE PHE 8 -14.018 -2.778 0.510 63 HE2 PHE 8 2HE PHE 8 -13.461 -7.018 0.099 64 HZ PHE 8 HZ PHE 8 -14.404 -5.084 1.335 65 H VAL 9 H VAL 9 -8.777 -5.849 -4.015 66 HA VAL 9 HA VAL 9 -8.856 -7.919 -2.018 67 HB VAL 9 HB VAL 9 -8.574 -8.124 -4.519 68 HG11 VAL 9 1HG1 VAL 9 -6.870 -6.303 -4.700 69 HG12 VAL 9 2HG1 VAL 9 -6.345 -7.808 -5.456 70 HG13 VAL 9 3HG1 VAL 9 -5.713 -7.349 -3.876 71 HG21 VAL 9 3HG2 VAL 9 -6.570 -9.434 -2.662 72 HG22 VAL 9 1HG2 VAL 9 -6.821 -9.952 -4.329 73 HG23 VAL 9 2HG2 VAL 9 -8.138 -10.066 -3.162 74 H CYS 10 H CYS 10 -7.102 -5.058 -2.033 75 HA CYS 10 HA CYS 10 -4.491 -5.451 -1.344 76 HB2 CYS 10 2HB CYS 10 -6.621 -3.827 0.073 77 HB3 CYS 10 1HB CYS 10 -4.886 -3.599 0.327 78 H THR 11 H THR 11 -7.141 -5.761 1.061 79 HA THR 11 HA THR 11 -5.721 -6.612 3.286 80 HB THR 11 HB THR 11 -8.345 -7.695 2.207 81 HG1 THR 11 1HG THR 11 -8.650 -5.582 2.370 82 HG21 THR 11 3HG2 THR 11 -7.114 -7.651 4.970 83 HG22 THR 11 1HG2 THR 11 -7.655 -9.056 4.054 84 HG23 THR 11 2HG2 THR 11 -8.835 -7.912 4.694 85 H SER 12 H SER 12 -6.834 -8.677 0.583 86 HA SER 12 HA SER 12 -5.845 -11.154 1.623 87 HB2 SER 12 2HB SER 12 -5.891 -10.580 -1.311 88 HB3 SER 12 1HB SER 12 -6.548 -11.958 -0.431 89 HG SER 12 HG SER 12 -8.351 -10.896 -0.122 90 H TRP 13 H TRP 13 -4.172 -8.415 0.481 91 HA TRP 13 HA TRP 13 -1.780 -9.985 -0.356 92 HB2 TRP 13 2HB TRP 13 -2.592 -7.066 -0.500 93 HB3 TRP 13 1HB TRP 13 -1.027 -7.664 -1.054 94 HD1 TRP 13 HD TRP 13 -2.958 -10.453 -1.900 95 HE1 TRP 13 1HE TRP 13 -3.934 -10.352 -4.285 96 HE3 TRP 13 3HE TRP 13 -2.409 -5.471 -2.866 97 HZ2 TRP 13 2HZ TRP 13 -4.415 -8.409 -6.333 98 HZ3 TRP 13 3HZ TRP 13 -3.125 -4.523 -5.039 99 HH2 TRP 13 HH TRP 13 -4.133 -5.982 -6.769 100 H ALA 14 H ALA 14 -2.621 -7.260 1.828 101 HA ALA 14 HA ALA 14 -0.173 -6.939 3.153 102 HB1 ALA 14 1HB ALA 14 -2.202 -6.702 5.091 103 HB2 ALA 14 2HB ALA 14 -2.991 -6.360 3.550 104 HB3 ALA 14 3HB ALA 14 -1.585 -5.418 4.050 105 H ARG 15 H ARG 15 -2.470 -9.580 3.423 106 HA ARG 15 HA ARG 15 -1.077 -10.638 5.831 107 HB2 ARG 15 2HB ARG 15 -3.010 -11.979 6.089 108 HB3 ARG 15 1HB ARG 15 -3.638 -10.466 5.438 109 HG2 ARG 15 2HG ARG 15 -3.365 -11.558 3.118 110 HG3 ARG 15 1HG ARG 15 -3.191 -13.079 3.993 111 HD2 ARG 15 2HD ARG 15 -5.494 -11.378 4.807 112 HD3 ARG 15 1HD ARG 15 -5.603 -12.140 3.208 113 HE ARG 15 HE ARG 15 -4.639 -14.141 4.914 114 HH11 ARG 15 1HH2 ARG 15 -7.394 -12.068 4.692 115 HH12 ARG 15 2HH2 ARG 15 -8.467 -13.198 5.447 116 HH21 ARG 15 1HH1 ARG 15 -6.033 -15.622 5.902 117 HH22 ARG 15 2HH1 ARG 15 -7.697 -15.205 6.132 118 H LYS 16 H LYS 16 -0.779 -10.821 2.492 119 HA LYS 16 HA LYS 16 0.256 -13.633 2.588 120 HB2 LYS 16 2HB LYS 16 -1.395 -12.117 0.785 121 HB3 LYS 16 1HB LYS 16 0.074 -12.602 -0.063 122 HG2 LYS 16 2HG LYS 16 -0.449 -14.926 1.157 123 HG3 LYS 16 1HG LYS 16 -2.095 -14.295 1.094 124 HD2 LYS 16 2HD LYS 16 -0.723 -13.865 -1.429 125 HD3 LYS 16 1HD LYS 16 -0.714 -15.573 -0.988 126 HE2 LYS 16 2HE LYS 16 -3.249 -13.927 -0.817 127 HE3 LYS 16 1HE LYS 16 -2.767 -14.746 -2.316 128 HZ1 LYS 16 3HZ LYS 16 -3.630 -15.884 0.214 129 HZ2 LYS 16 1HZ LYS 16 -2.310 -16.659 -0.515 130 HZ3 LYS 16 2HZ LYS 16 -3.775 -16.504 -1.360 131 H GLY 17 H GLY 17 1.647 -11.081 3.453 132 HA2 GLY 17 2HA GLY 17 3.763 -10.092 3.222 133 HA3 GLY 17 1HA GLY 17 4.247 -11.626 2.490 134 H PHE 18 H PHE 18 1.636 -9.962 0.973 135 HA PHE 18 HA PHE 18 2.805 -9.840 -1.581 136 HB2 PHE 18 2HB PHE 18 0.423 -9.114 -0.290 137 HB3 PHE 18 1HB PHE 18 1.002 -7.626 -1.037 138 HD1 PHE 18 1HD PHE 18 0.717 -11.278 -1.862 139 HD2 PHE 18 2HD PHE 18 0.387 -7.224 -3.245 140 HE1 PHE 18 1HE PHE 18 -0.037 -12.096 -4.078 141 HE2 PHE 18 2HE PHE 18 -0.367 -8.042 -5.461 142 HZ PHE 18 HZ PHE 18 -0.580 -10.478 -5.877 143 H CYS 19 H CYS 19 2.555 -7.157 0.804 144 HA CYS 19 HA CYS 19 4.143 -5.323 -0.754 145 HB2 CYS 19 2HB CYS 19 3.162 -5.560 2.073 146 HB3 CYS 19 1HB CYS 19 4.376 -4.336 1.702 147 H ASP 20 H ASP 20 4.976 -8.128 0.971 148 HA ASP 20 HA ASP 20 7.800 -7.210 1.352 149 HB2 ASP 20 2HB ASP 20 5.911 -8.820 2.831 150 HB3 ASP 20 1HB ASP 20 7.333 -9.795 2.440 151 H VAL 21 H VAL 21 5.741 -9.116 -0.607 152 HA VAL 21 HA VAL 21 8.073 -10.611 -1.763 153 HB VAL 21 HB VAL 21 5.096 -11.218 -1.689 154 HG11 VAL 21 1HG1 VAL 21 7.397 -12.920 -2.693 155 HG12 VAL 21 2HG1 VAL 21 6.272 -12.047 -3.734 156 HG13 VAL 21 3HG1 VAL 21 5.687 -13.354 -2.704 157 HG21 VAL 21 3HG2 VAL 21 6.091 -11.538 0.492 158 HG22 VAL 21 1HG2 VAL 21 7.479 -12.372 -0.210 159 HG23 VAL 21 2HG2 VAL 21 5.886 -13.130 -0.239 160 H ARG 22 H ARG 22 4.823 -9.486 -2.753 161 HA ARG 22 HA ARG 22 5.741 -9.014 -5.508 162 HB2 ARG 22 2HB ARG 22 3.136 -8.740 -3.988 163 HB3 ARG 22 1HB ARG 22 3.286 -8.303 -5.691 164 HG2 ARG 22 2HG ARG 22 4.434 -10.930 -5.081 165 HG3 ARG 22 1HG ARG 22 2.707 -10.837 -4.738 166 HD2 ARG 22 2HD ARG 22 2.443 -11.237 -6.972 167 HD3 ARG 22 1HD ARG 22 2.912 -9.538 -7.183 168 HE ARG 22 HE ARG 22 5.196 -11.336 -6.876 169 HH11 ARG 22 1HH2 ARG 22 2.899 -9.904 -9.022 170 HH12 ARG 22 2HH2 ARG 22 3.910 -10.063 -10.418 171 HH21 ARG 22 1HH1 ARG 22 6.522 -11.551 -8.692 172 HH22 ARG 22 2HH1 ARG 22 5.958 -10.995 -10.233 173 H GLN 23 H GLN 23 6.053 -7.309 -2.705 174 HA GLN 23 HA GLN 23 5.309 -4.786 -2.585 175 HB2 GLN 23 2HB GLN 23 7.300 -5.816 -1.491 176 HB3 GLN 23 1HB GLN 23 8.222 -5.534 -2.972 177 HG2 GLN 23 2HG GLN 23 6.821 -3.136 -2.063 178 HG3 GLN 23 1HG GLN 23 7.959 -3.743 -0.861 179 HE21 GLN 23 1HE2 GLN 23 10.231 -4.267 -1.782 180 HE22 GLN 23 2HE2 GLN 23 10.827 -3.244 -2.998 181 H ARG 24 H ARG 24 7.645 -5.695 -5.165 182 HA ARG 24 HA ARG 24 7.954 -3.264 -6.470 183 HB2 ARG 24 2HB ARG 24 9.061 -5.350 -7.105 184 HB3 ARG 24 1HB ARG 24 7.522 -6.037 -7.628 185 HG2 ARG 24 2HG ARG 24 7.329 -4.187 -9.310 186 HG3 ARG 24 1HG ARG 24 8.946 -3.654 -8.848 187 HD2 ARG 24 2HD ARG 24 8.913 -6.516 -9.395 188 HD3 ARG 24 1HD ARG 24 8.352 -5.579 -10.794 189 HE ARG 24 HE ARG 24 10.677 -4.371 -9.539 190 HH11 ARG 24 1HH2 ARG 24 9.550 -6.814 -11.705 191 HH12 ARG 24 2HH2 ARG 24 11.025 -6.873 -12.610 192 HH21 ARG 24 1HH1 ARG 24 12.605 -4.441 -10.713 193 HH22 ARG 24 2HH1 ARG 24 12.752 -5.532 -12.050 194 H LEU 25 H LEU 25 5.208 -5.517 -6.791 195 HA LEU 25 HA LEU 25 3.823 -3.754 -8.697 196 HB2 LEU 25 2HB LEU 25 3.511 -6.055 -9.068 197 HB3 LEU 25 1HB LEU 25 3.351 -6.407 -7.348 198 HG LEU 25 HG LEU 25 1.321 -4.558 -8.458 199 HD11 LEU 25 1HD1 LEU 25 0.007 -6.445 -9.417 200 HD12 LEU 25 2HD1 LEU 25 1.402 -7.500 -9.195 201 HD13 LEU 25 3HD1 LEU 25 1.492 -6.141 -10.316 202 HD21 LEU 25 3HD2 LEU 25 0.387 -5.191 -6.508 203 HD22 LEU 25 1HD2 LEU 25 1.710 -6.324 -6.235 204 HD23 LEU 25 2HD2 LEU 25 0.269 -6.844 -7.110 205 H MET 26 H MET 26 3.561 -4.643 -5.261 206 HA MET 26 HA MET 26 1.064 -3.304 -4.757 207 HB2 MET 26 2HB MET 26 3.331 -4.495 -3.254 208 HB3 MET 26 1HB MET 26 2.351 -3.329 -2.366 209 HG2 MET 26 2HG MET 26 1.110 -5.590 -3.937 210 HG3 MET 26 1HG MET 26 1.590 -5.773 -2.250 211 HE1 MET 26 3HE MET 26 -0.076 -4.367 -0.094 212 HE2 MET 26 1HE MET 26 0.241 -5.937 -0.844 213 HE3 MET 26 2HE MET 26 -1.411 -5.350 -0.689 214 H LYS 27 H LYS 27 4.137 -2.044 -5.492 215 HA LYS 27 HA LYS 27 4.540 0.199 -3.885 216 HB2 LYS 27 2HB LYS 27 5.879 -0.629 -5.855 217 HB3 LYS 27 1HB LYS 27 4.675 0.105 -6.916 218 HG2 LYS 27 2HG LYS 27 5.245 2.170 -5.188 219 HG3 LYS 27 1HG LYS 27 6.813 1.380 -5.348 220 HD2 LYS 27 2HD LYS 27 6.393 1.403 -7.878 221 HD3 LYS 27 1HD LYS 27 5.078 2.529 -7.538 222 HE2 LYS 27 2HE LYS 27 6.558 4.232 -7.369 223 HE3 LYS 27 1HE LYS 27 7.444 3.360 -6.103 224 HZ1 LYS 27 3HZ LYS 27 8.748 3.758 -8.179 225 HZ2 LYS 27 1HZ LYS 27 7.672 2.731 -8.994 226 HZ3 LYS 27 2HZ LYS 27 8.629 2.125 -7.729 227 H ARG 28 H ARG 28 2.684 0.325 -6.957 228 HA ARG 28 HA ARG 28 1.248 2.719 -5.913 229 HB2 ARG 28 2HB ARG 28 0.768 3.112 -8.265 230 HB3 ARG 28 1HB ARG 28 2.478 2.711 -8.105 231 HG2 ARG 28 2HG ARG 28 1.570 0.236 -8.467 232 HG3 ARG 28 1HG ARG 28 0.251 1.090 -9.270 233 HD2 ARG 28 2HD ARG 28 3.021 1.964 -9.960 234 HD3 ARG 28 1HD ARG 28 2.484 0.397 -10.599 235 HE ARG 28 HE ARG 28 0.352 2.225 -10.967 236 HH11 ARG 28 1HH2 ARG 28 3.607 1.698 -11.996 237 HH12 ARG 28 2HH2 ARG 28 3.377 2.450 -13.538 238 HH21 ARG 28 1HH1 ARG 28 0.042 3.209 -12.976 239 HH22 ARG 28 2HH1 ARG 28 1.363 3.305 -14.092 240 H LEU 29 H LEU 29 0.689 -0.624 -6.908 241 HA LEU 29 HA LEU 29 -2.090 -0.582 -7.394 242 HB2 LEU 29 2HB LEU 29 0.008 -2.479 -6.690 243 HB3 LEU 29 1HB LEU 29 -1.540 -2.939 -5.972 244 HG LEU 29 HG LEU 29 -0.963 -2.415 -8.900 245 HD11 LEU 29 1HD1 LEU 29 -0.512 -4.638 -8.745 246 HD12 LEU 29 2HD1 LEU 29 -2.263 -4.819 -8.666 247 HD13 LEU 29 3HD1 LEU 29 -1.312 -4.787 -7.181 248 HD21 LEU 29 3HD2 LEU 29 -3.510 -3.255 -8.908 249 HD22 LEU 29 1HD2 LEU 29 -3.098 -1.544 -8.795 250 HD23 LEU 29 2HD2 LEU 29 -3.509 -2.451 -7.339 251 H CYS 30 H CYS 30 -0.485 -1.266 -4.253 252 HA CYS 30 HA CYS 30 -2.661 0.157 -2.846 253 HB2 CYS 30 2HB CYS 30 -3.134 -2.403 -3.393 254 HB3 CYS 30 1HB CYS 30 -2.103 -2.652 -1.980 255 HA PRO 31 HA PRO 31 1.531 0.435 -0.919 256 HB2 PRO 31 2HB PRO 31 1.465 3.159 -0.646 257 HB3 PRO 31 1HB PRO 31 2.016 2.355 -2.133 258 HG2 PRO 31 2HG PRO 31 -0.622 3.604 -1.520 259 HG3 PRO 31 1HG PRO 31 0.328 3.654 -3.015 260 HD2 PRO 31 2HD PRO 31 -1.822 2.025 -2.677 261 HD3 PRO 31 1HD PRO 31 -0.448 1.623 -3.735 262 H ARG 32 H ARG 32 -1.626 1.791 -0.162 263 HA ARG 32 HA ARG 32 -1.519 2.892 2.316 264 HB2 ARG 32 2HB ARG 32 -3.482 2.076 0.821 265 HB3 ARG 32 1HB ARG 32 -3.410 0.605 1.792 266 HG2 ARG 32 2HG ARG 32 -5.010 2.053 2.850 267 HG3 ARG 32 1HG ARG 32 -3.557 2.081 3.851 268 HD2 ARG 32 2HD ARG 32 -3.459 4.115 1.751 269 HD3 ARG 32 1HD ARG 32 -4.853 4.328 2.830 270 HE ARG 32 HE ARG 32 -2.824 3.758 4.590 271 HH11 ARG 32 1HH2 ARG 32 -3.193 5.964 1.956 272 HH12 ARG 32 2HH2 ARG 32 -2.129 7.151 2.633 273 HH21 ARG 32 1HH1 ARG 32 -1.438 5.300 5.481 274 HH22 ARG 32 2HH1 ARG 32 -1.139 6.776 4.626 275 H SER 33 H SER 33 -2.107 -0.644 2.214 276 HA SER 33 HA SER 33 -1.637 -1.329 4.822 277 HB2 SER 33 2HB SER 33 -1.001 -2.611 2.190 278 HB3 SER 33 1HB SER 33 -0.493 -3.424 3.672 279 HG SER 33 HG SER 33 -2.637 -3.982 2.931 280 H CYS 34 H CYS 34 1.076 -2.076 2.685 281 HA CYS 34 HA CYS 34 3.023 -1.824 4.775 282 HB2 CYS 34 2HB CYS 34 4.613 -1.815 2.703 283 HB3 CYS 34 1HB CYS 34 3.618 -3.232 3.000 284 H ASP 35 H ASP 35 1.408 0.653 3.165 285 HA ASP 35 HA ASP 35 1.816 2.979 3.040 286 HB2 ASP 35 2HB ASP 35 2.315 2.201 5.499 287 HB3 ASP 35 1HB ASP 35 3.999 2.505 5.059 288 H PHE 36 H PHE 36 3.241 1.327 1.154 289 HA PHE 36 HA PHE 36 6.007 1.711 0.898 290 HB2 PHE 36 2HB PHE 36 3.695 1.587 -1.028 291 HB3 PHE 36 1HB PHE 36 5.354 1.725 -1.613 292 HD1 PHE 36 2HD PHE 36 6.017 0.033 1.245 293 HD2 PHE 36 1HD PHE 36 3.862 -0.591 -2.419 294 HE1 PHE 36 2HE PHE 36 6.328 -2.404 1.475 295 HE2 PHE 36 1HE PHE 36 4.181 -3.026 -2.181 296 HZ PHE 36 HZ PHE 36 5.410 -3.934 -0.241 297 H CYS 37 H CYS 37 3.463 4.095 0.591 298 HA CYS 37 HA CYS 37 5.298 6.025 -0.722 299 HB2 CYS 37 2HB CYS 37 2.456 5.539 -0.490 300 HB3 CYS 37 1HB CYS 37 2.825 7.206 -0.034 301 HXT CYS 37 2H CYS 37 6.165 7.832 2.179 Start of MODEL 7 1 H1 TYR 1 H TYR 1 -3.873 13.401 1.235 2 HA TYR 1 HA TYR 1 -0.940 13.799 0.876 3 HB2 TYR 1 2HB TYR 1 -2.383 12.626 3.168 4 HB3 TYR 1 1HB TYR 1 -1.076 11.616 2.549 5 HD1 TYR 1 1HD TYR 1 -1.398 15.348 2.661 6 HD2 TYR 1 2HD TYR 1 0.714 11.875 4.051 7 HE1 TYR 1 1HE TYR 1 0.265 16.806 3.785 8 HE2 TYR 1 2HE TYR 1 2.375 13.334 5.175 9 HH TYR 1 HH TYR 1 2.471 16.761 4.643 10 H GLY 2 H GLY 2 0.096 11.793 0.017 11 HA2 GLY 2 2HA GLY 2 -1.738 10.386 -1.821 12 HA3 GLY 2 1HA GLY 2 0.025 10.322 -1.868 13 H CYS 3 H CYS 3 0.451 8.143 -1.682 14 HA CYS 3 HA CYS 3 0.593 6.018 -0.650 15 HB2 CYS 3 2HB CYS 3 1.342 7.575 1.174 16 HB3 CYS 3 1HB CYS 3 -0.325 7.635 1.748 17 H LEU 4 H LEU 4 -1.644 6.079 -2.091 18 HA LEU 4 HA LEU 4 -3.744 4.950 -0.295 19 HB2 LEU 4 2HB LEU 4 -4.788 6.932 -0.771 20 HB3 LEU 4 1HB LEU 4 -3.729 7.265 -2.134 21 HG LEU 4 HG LEU 4 -5.349 5.097 -2.942 22 HD11 LEU 4 1HD1 LEU 4 -6.738 6.990 -1.135 23 HD12 LEU 4 2HD1 LEU 4 -7.140 5.321 -1.540 24 HD13 LEU 4 3HD1 LEU 4 -7.558 6.624 -2.652 25 HD21 LEU 4 3HD2 LEU 4 -5.506 8.059 -3.549 26 HD22 LEU 4 1HD2 LEU 4 -6.255 6.789 -4.515 27 HD23 LEU 4 2HD2 LEU 4 -4.499 6.879 -4.388 28 H ASP 5 H ASP 5 -4.217 2.899 -0.933 29 HA ASP 5 HA ASP 5 -3.042 1.561 -3.124 30 HB2 ASP 5 2HB ASP 5 -4.784 -0.135 -2.599 31 HB3 ASP 5 1HB ASP 5 -4.035 0.507 -1.137 32 H ARG 6 H ARG 6 -4.586 0.447 -4.864 33 HA ARG 6 HA ARG 6 -6.329 2.581 -6.058 34 HB2 ARG 6 2HB ARG 6 -4.158 0.824 -7.173 35 HB3 ARG 6 1HB ARG 6 -5.433 1.413 -8.239 36 HG2 ARG 6 2HG ARG 6 -4.834 3.720 -6.987 37 HG3 ARG 6 1HG ARG 6 -3.265 2.922 -6.869 38 HD2 ARG 6 2HD ARG 6 -3.333 4.204 -8.952 39 HD3 ARG 6 1HD ARG 6 -3.395 2.479 -9.360 40 HE ARG 6 HE ARG 6 -6.060 3.204 -9.014 41 HH11 ARG 6 1HH2 ARG 6 -3.393 4.293 -10.922 42 HH12 ARG 6 2HH2 ARG 6 -4.384 4.793 -12.251 43 HH21 ARG 6 1HH1 ARG 6 -7.357 3.849 -10.739 44 HH22 ARG 6 2HH1 ARG 6 -6.626 4.540 -12.148 45 H ILE 7 H ILE 7 -6.242 -0.542 -4.812 46 HA ILE 7 HA ILE 7 -8.818 -1.189 -6.178 47 HB ILE 7 HB ILE 7 -7.895 -3.580 -6.368 48 HG12 ILE 7 2HG1 ILE 7 -5.330 -2.047 -5.838 49 HG13 ILE 7 1HG1 ILE 7 -5.986 -3.371 -4.875 50 HG21 ILE 7 1HG2 ILE 7 -8.151 -1.983 -8.276 51 HG22 ILE 7 2HG2 ILE 7 -6.797 -3.094 -8.487 52 HG23 ILE 7 3HG2 ILE 7 -6.503 -1.427 -7.988 53 HD11 ILE 7 3HD1 ILE 7 -5.555 -3.919 -7.769 54 HD12 ILE 7 1HD1 ILE 7 -5.332 -4.975 -6.377 55 HD13 ILE 7 2HD1 ILE 7 -4.113 -3.763 -6.766 56 H PHE 8 H PHE 8 -9.711 -3.310 -4.993 57 HA PHE 8 HA PHE 8 -9.538 -2.721 -2.079 58 HB2 PHE 8 2HB PHE 8 -11.706 -3.748 -1.997 59 HB3 PHE 8 1HB PHE 8 -11.692 -2.764 -3.464 60 HD1 PHE 8 1HD PHE 8 -11.160 -6.234 -2.196 61 HD2 PHE 8 2HD PHE 8 -12.020 -3.752 -5.597 62 HE1 PHE 8 1HE PHE 8 -11.641 -8.255 -3.551 63 HE2 PHE 8 2HE PHE 8 -12.499 -5.774 -6.950 64 HZ PHE 8 HZ PHE 8 -12.312 -8.026 -5.927 65 H VAL 9 H VAL 9 -8.586 -5.094 -4.411 66 HA VAL 9 HA VAL 9 -8.494 -7.368 -2.592 67 HB VAL 9 HB VAL 9 -8.688 -7.322 -5.138 68 HG11 VAL 9 1HG1 VAL 9 -6.640 -7.095 -6.416 69 HG12 VAL 9 2HG1 VAL 9 -5.689 -6.912 -4.942 70 HG13 VAL 9 3HG1 VAL 9 -6.830 -5.653 -5.417 71 HG21 VAL 9 3HG2 VAL 9 -8.203 -9.388 -3.897 72 HG22 VAL 9 1HG2 VAL 9 -6.486 -8.986 -3.870 73 HG23 VAL 9 2HG2 VAL 9 -7.282 -9.354 -5.400 74 H CYS 10 H CYS 10 -6.739 -4.566 -2.552 75 HA CYS 10 HA CYS 10 -4.058 -5.671 -2.192 76 HB2 CYS 10 2HB CYS 10 -3.644 -3.524 -2.692 77 HB3 CYS 10 1HB CYS 10 -5.355 -3.147 -2.589 78 H THR 11 H THR 11 -6.831 -5.359 -0.219 79 HA THR 11 HA THR 11 -5.475 -5.019 2.308 80 HB THR 11 HB THR 11 -8.176 -6.283 1.755 81 HG1 THR 11 1HG THR 11 -8.731 -3.913 2.121 82 HG21 THR 11 3HG2 THR 11 -8.637 -4.917 3.921 83 HG22 THR 11 1HG2 THR 11 -6.881 -4.889 4.088 84 HG23 THR 11 2HG2 THR 11 -7.740 -6.429 4.057 85 H SER 12 H SER 12 -6.644 -7.826 0.451 86 HA SER 12 HA SER 12 -5.955 -9.801 2.456 87 HB2 SER 12 2HB SER 12 -6.777 -9.679 -0.411 88 HB3 SER 12 1HB SER 12 -6.006 -11.166 0.131 89 HG SER 12 HG SER 12 -8.484 -10.581 0.418 90 H TRP 13 H TRP 13 -4.281 -8.311 -0.280 91 HA TRP 13 HA TRP 13 -2.024 -10.025 -0.498 92 HB2 TRP 13 2HB TRP 13 -2.565 -7.082 -0.932 93 HB3 TRP 13 1HB TRP 13 -0.978 -7.765 -1.270 94 HD1 TRP 13 HD TRP 13 -2.619 -10.616 -2.167 95 HE1 TRP 13 1HE TRP 13 -3.447 -10.672 -4.607 96 HE3 TRP 13 3HE TRP 13 -2.491 -5.628 -3.263 97 HZ2 TRP 13 2HZ TRP 13 -3.985 -8.846 -6.742 98 HZ3 TRP 13 3HZ TRP 13 -3.170 -4.814 -5.503 99 HH2 TRP 13 HH TRP 13 -3.918 -6.412 -7.240 100 H ALA 14 H ALA 14 -2.325 -6.970 1.344 101 HA ALA 14 HA ALA 14 0.165 -6.983 2.646 102 HB1 ALA 14 1HB ALA 14 -2.089 -5.447 2.601 103 HB2 ALA 14 2HB ALA 14 -0.770 -5.207 3.747 104 HB3 ALA 14 3HB ALA 14 -2.195 -6.130 4.225 105 H ARG 15 H ARG 15 -2.881 -8.543 3.688 106 HA ARG 15 HA ARG 15 -1.655 -9.640 6.114 107 HB2 ARG 15 2HB ARG 15 -4.200 -9.044 5.186 108 HB3 ARG 15 1HB ARG 15 -4.172 -10.806 5.158 109 HG2 ARG 15 2HG ARG 15 -4.844 -10.395 7.352 110 HG3 ARG 15 1HG ARG 15 -3.097 -10.540 7.546 111 HD2 ARG 15 2HD ARG 15 -2.840 -8.114 7.529 112 HD3 ARG 15 1HD ARG 15 -4.565 -7.903 7.170 113 HE ARG 15 HE ARG 15 -4.185 -9.544 9.522 114 HH11 ARG 15 1HH2 ARG 15 -4.146 -6.310 8.303 115 HH12 ARG 15 2HH2 ARG 15 -4.562 -5.595 9.824 116 HH21 ARG 15 1HH1 ARG 15 -4.731 -8.621 11.509 117 HH22 ARG 15 2HH1 ARG 15 -4.895 -6.901 11.635 118 H LYS 16 H LYS 16 -1.322 -10.467 2.916 119 HA LYS 16 HA LYS 16 -1.070 -13.391 3.552 120 HB2 LYS 16 2HB LYS 16 -2.810 -12.485 1.866 121 HB3 LYS 16 1HB LYS 16 -1.429 -12.153 0.821 122 HG2 LYS 16 2HG LYS 16 -2.130 -14.320 0.177 123 HG3 LYS 16 1HG LYS 16 -0.755 -14.607 1.244 124 HD2 LYS 16 2HD LYS 16 -2.340 -16.097 2.096 125 HD3 LYS 16 1HD LYS 16 -2.575 -14.689 3.130 126 HE2 LYS 16 2HE LYS 16 -4.231 -14.151 0.963 127 HE3 LYS 16 1HE LYS 16 -4.432 -15.896 1.216 128 HZ1 LYS 16 3HZ LYS 16 -5.836 -15.129 2.823 129 HZ2 LYS 16 1HZ LYS 16 -4.985 -13.679 3.046 130 HZ3 LYS 16 2HZ LYS 16 -4.394 -15.121 3.720 131 H GLY 17 H GLY 17 0.985 -11.181 3.858 132 HA2 GLY 17 2HA GLY 17 3.259 -10.843 3.363 133 HA3 GLY 17 1HA GLY 17 3.276 -12.560 2.940 134 H PHE 18 H PHE 18 1.552 -9.826 1.444 135 HA PHE 18 HA PHE 18 2.648 -10.671 -1.202 136 HB2 PHE 18 2HB PHE 18 0.132 -10.137 -0.326 137 HB3 PHE 18 1HB PHE 18 0.606 -8.539 -0.898 138 HD1 PHE 18 2HD PHE 18 1.104 -12.082 -2.057 139 HD2 PHE 18 1HD PHE 18 -0.060 -8.073 -3.060 140 HE1 PHE 18 2HE PHE 18 0.688 -12.789 -4.398 141 HE2 PHE 18 1HE PHE 18 -0.479 -8.778 -5.400 142 HZ PHE 18 HZ PHE 18 -0.106 -11.136 -6.070 143 H CYS 19 H CYS 19 2.545 -7.996 1.085 144 HA CYS 19 HA CYS 19 3.378 -5.806 -0.427 145 HB2 CYS 19 2HB CYS 19 4.226 -6.738 2.332 146 HB3 CYS 19 1HB CYS 19 4.482 -5.104 1.721 147 H ASP 20 H ASP 20 5.656 -7.915 1.367 148 HA ASP 20 HA ASP 20 7.979 -6.930 -0.027 149 HB2 ASP 20 2HB ASP 20 7.236 -8.756 2.090 150 HB3 ASP 20 1HB ASP 20 8.478 -9.487 1.067 151 H VAL 21 H VAL 21 5.884 -9.772 -0.501 152 HA VAL 21 HA VAL 21 7.564 -11.074 -2.452 153 HB VAL 21 HB VAL 21 4.602 -11.170 -1.809 154 HG11 VAL 21 1HG1 VAL 21 6.169 -13.226 -3.378 155 HG12 VAL 21 2HG1 VAL 21 5.267 -11.932 -4.168 156 HG13 VAL 21 3HG1 VAL 21 4.421 -13.118 -3.172 157 HG21 VAL 21 3HG2 VAL 21 5.972 -11.926 0.029 158 HG22 VAL 21 1HG2 VAL 21 6.996 -12.870 -1.053 159 HG23 VAL 21 2HG2 VAL 21 5.328 -13.363 -0.764 160 H ARG 22 H ARG 22 4.632 -9.047 -2.816 161 HA ARG 22 HA ARG 22 5.203 -8.792 -5.729 162 HB2 ARG 22 2HB ARG 22 2.950 -9.421 -4.492 163 HB3 ARG 22 1HB ARG 22 2.803 -7.670 -4.323 164 HG2 ARG 22 2HG ARG 22 1.940 -7.687 -6.411 165 HG3 ARG 22 1HG ARG 22 3.589 -7.984 -6.963 166 HD2 ARG 22 2HD ARG 22 2.870 -10.518 -6.296 167 HD3 ARG 22 1HD ARG 22 1.297 -9.864 -6.793 168 HE ARG 22 HE ARG 22 3.024 -8.941 -8.747 169 HH11 ARG 22 1HH2 ARG 22 2.265 -12.020 -7.372 170 HH12 ARG 22 2HH2 ARG 22 2.609 -12.896 -8.825 171 HH21 ARG 22 1HH1 ARG 22 3.468 -10.078 -10.647 172 HH22 ARG 22 2HH1 ARG 22 3.287 -11.801 -10.675 173 H GLN 23 H GLN 23 6.046 -7.199 -2.973 174 HA GLN 23 HA GLN 23 5.645 -4.608 -2.741 175 HB2 GLN 23 2HB GLN 23 7.635 -5.892 -1.936 176 HB3 GLN 23 1HB GLN 23 8.374 -5.668 -3.525 177 HG2 GLN 23 2HG GLN 23 7.364 -3.193 -2.261 178 HG3 GLN 23 1HG GLN 23 8.724 -3.953 -1.432 179 HE21 GLN 23 1HE2 GLN 23 10.786 -3.685 -2.362 180 HE22 GLN 23 2HE2 GLN 23 11.063 -2.993 -3.887 181 H ARG 24 H ARG 24 7.764 -5.565 -5.471 182 HA ARG 24 HA ARG 24 7.992 -3.140 -6.794 183 HB2 ARG 24 2HB ARG 24 9.023 -5.355 -7.360 184 HB3 ARG 24 1HB ARG 24 7.485 -5.844 -8.071 185 HG2 ARG 24 2HG ARG 24 9.181 -4.927 -9.720 186 HG3 ARG 24 1HG ARG 24 7.612 -4.122 -9.739 187 HD2 ARG 24 2HD ARG 24 9.634 -2.556 -9.736 188 HD3 ARG 24 1HD ARG 24 8.470 -2.270 -8.426 189 HE ARG 24 HE ARG 24 10.532 -4.218 -7.727 190 HH11 ARG 24 1HH2 ARG 24 9.634 -0.887 -7.906 191 HH12 ARG 24 2HH2 ARG 24 10.740 -0.388 -6.670 192 HH21 ARG 24 1HH1 ARG 24 11.973 -3.580 -6.108 193 HH22 ARG 24 2HH1 ARG 24 12.061 -1.910 -5.653 194 H LEU 25 H LEU 25 5.275 -5.445 -7.103 195 HA LEU 25 HA LEU 25 3.824 -3.545 -8.858 196 HB2 LEU 25 2HB LEU 25 3.809 -5.861 -9.494 197 HB3 LEU 25 1HB LEU 25 3.370 -6.368 -7.862 198 HG LEU 25 HG LEU 25 1.477 -4.435 -8.936 199 HD11 LEU 25 1HD1 LEU 25 0.809 -6.842 -10.319 200 HD12 LEU 25 2HD1 LEU 25 2.457 -6.407 -10.771 201 HD13 LEU 25 3HD1 LEU 25 1.144 -5.255 -11.008 202 HD21 LEU 25 3HD2 LEU 25 -0.118 -6.041 -8.104 203 HD22 LEU 25 1HD2 LEU 25 1.219 -5.992 -6.954 204 HD23 LEU 25 2HD2 LEU 25 1.092 -7.323 -8.104 205 H MET 26 H MET 26 3.673 -4.885 -5.589 206 HA MET 26 HA MET 26 1.062 -3.695 -4.996 207 HB2 MET 26 2HB MET 26 2.490 -5.800 -4.071 208 HB3 MET 26 1HB MET 26 2.916 -4.598 -2.853 209 HG2 MET 26 2HG MET 26 0.410 -4.118 -2.667 210 HG3 MET 26 1HG MET 26 0.159 -5.589 -3.601 211 HE1 MET 26 3HE MET 26 -0.857 -6.337 0.031 212 HE2 MET 26 1HE MET 26 -1.223 -5.259 -1.322 213 HE3 MET 26 2HE MET 26 -0.267 -4.677 0.039 214 H LYS 27 H LYS 27 3.798 -2.112 -5.599 215 HA LYS 27 HA LYS 27 3.882 -0.413 -3.163 216 HB2 LYS 27 2HB LYS 27 5.848 0.540 -4.261 217 HB3 LYS 27 1HB LYS 27 5.932 -1.219 -4.349 218 HG2 LYS 27 2HG LYS 27 6.213 -0.964 -6.575 219 HG3 LYS 27 1HG LYS 27 4.508 -0.523 -6.634 220 HD2 LYS 27 2HD LYS 27 4.953 1.714 -6.859 221 HD3 LYS 27 1HD LYS 27 6.394 1.634 -5.846 222 HE2 LYS 27 2HE LYS 27 7.286 0.158 -7.908 223 HE3 LYS 27 1HE LYS 27 6.127 1.178 -8.782 224 HZ1 LYS 27 3HZ LYS 27 7.136 3.123 -7.989 225 HZ2 LYS 27 1HZ LYS 27 8.434 2.136 -8.452 226 HZ3 LYS 27 2HZ LYS 27 8.033 2.291 -6.809 227 H ARG 28 H ARG 28 2.688 -0.327 -6.478 228 HA ARG 28 HA ARG 28 2.069 2.573 -6.257 229 HB2 ARG 28 2HB ARG 28 2.645 0.592 -8.322 230 HB3 ARG 28 1HB ARG 28 1.238 1.578 -8.726 231 HG2 ARG 28 2HG ARG 28 3.429 3.145 -7.594 232 HG3 ARG 28 1HG ARG 28 3.883 2.318 -9.084 233 HD2 ARG 28 2HD ARG 28 1.730 3.226 -10.112 234 HD3 ARG 28 1HD ARG 28 1.588 4.258 -8.676 235 HE ARG 28 HE ARG 28 3.583 4.549 -10.800 236 HH11 ARG 28 1HH2 ARG 28 2.780 5.058 -7.478 237 HH12 ARG 28 2HH2 ARG 28 3.829 6.423 -7.300 238 HH21 ARG 28 1HH1 ARG 28 4.956 6.325 -10.578 239 HH22 ARG 28 2HH1 ARG 28 5.063 7.139 -9.052 240 H LEU 29 H LEU 29 0.527 -0.397 -5.635 241 HA LEU 29 HA LEU 29 -2.149 0.887 -6.067 242 HB2 LEU 29 2HB LEU 29 -2.681 -1.784 -6.141 243 HB3 LEU 29 1HB LEU 29 -2.346 -0.809 -7.572 244 HG LEU 29 HG LEU 29 -0.089 -2.090 -6.039 245 HD11 LEU 29 1HD1 LEU 29 -1.785 -3.842 -6.576 246 HD12 LEU 29 2HD1 LEU 29 -0.274 -4.061 -7.459 247 HD13 LEU 29 3HD1 LEU 29 -1.680 -3.376 -8.273 248 HD21 LEU 29 3HD2 LEU 29 0.974 -0.900 -7.661 249 HD22 LEU 29 1HD2 LEU 29 -0.513 -0.666 -8.579 250 HD23 LEU 29 2HD2 LEU 29 0.410 -2.158 -8.761 251 H CYS 30 H CYS 30 -0.036 -0.220 -3.689 252 HA CYS 30 HA CYS 30 -2.199 -0.178 -1.687 253 HB2 CYS 30 2HB CYS 30 -2.128 -2.494 -2.720 254 HB3 CYS 30 1HB CYS 30 -0.505 -2.661 -2.048 255 HA PRO 31 HA PRO 31 2.191 0.869 -0.350 256 HB2 PRO 31 2HB PRO 31 2.016 3.601 -0.407 257 HB3 PRO 31 1HB PRO 31 2.575 2.641 -1.792 258 HG2 PRO 31 2HG PRO 31 -0.058 3.923 -1.317 259 HG3 PRO 31 1HG PRO 31 0.831 3.690 -2.831 260 HD2 PRO 31 2HD PRO 31 -1.310 2.154 -2.010 261 HD3 PRO 31 1HD PRO 31 -0.082 1.639 -3.189 262 H ARG 32 H ARG 32 -0.987 1.246 0.560 263 HA ARG 32 HA ARG 32 -0.446 2.711 3.079 264 HB2 ARG 32 2HB ARG 32 -2.447 3.447 2.222 265 HB3 ARG 32 1HB ARG 32 -2.750 1.941 1.365 266 HG2 ARG 32 2HG ARG 32 -4.006 1.112 3.063 267 HG3 ARG 32 1HG ARG 32 -2.854 1.639 4.289 268 HD2 ARG 32 2HD ARG 32 -4.409 3.791 2.935 269 HD3 ARG 32 1HD ARG 32 -5.288 2.759 4.084 270 HE ARG 32 HE ARG 32 -2.845 3.352 5.321 271 HH11 ARG 32 1HH2 ARG 32 -5.587 5.042 4.081 272 HH12 ARG 32 2HH2 ARG 32 -5.422 6.373 5.177 273 HH21 ARG 32 1HH1 ARG 32 -2.615 5.072 6.747 274 HH22 ARG 32 2HH1 ARG 32 -3.734 6.392 6.686 275 H SER 33 H SER 33 -0.892 -0.571 1.931 276 HA SER 33 HA SER 33 -1.298 -1.555 4.718 277 HB2 SER 33 2HB SER 33 -2.243 -2.253 2.152 278 HB3 SER 33 1HB SER 33 -1.177 -3.571 2.639 279 HG SER 33 HG SER 33 -2.365 -3.608 4.637 280 H CYS 34 H CYS 34 1.263 -0.919 2.625 281 HA CYS 34 HA CYS 34 2.957 -3.002 3.971 282 HB2 CYS 34 2HB CYS 34 3.325 -1.856 1.196 283 HB3 CYS 34 1HB CYS 34 4.116 -3.275 1.884 284 H ASP 35 H ASP 35 2.345 0.198 3.989 285 HA ASP 35 HA ASP 35 3.615 2.072 4.670 286 HB2 ASP 35 2HB ASP 35 4.420 -0.013 6.114 287 HB3 ASP 35 1HB ASP 35 5.914 0.226 5.201 288 H PHE 36 H PHE 36 3.935 0.806 1.848 289 HA PHE 36 HA PHE 36 6.632 1.165 0.971 290 HB2 PHE 36 2HB PHE 36 3.949 1.430 -0.415 291 HB3 PHE 36 1HB PHE 36 5.492 1.410 -1.271 292 HD1 PHE 36 2HD PHE 36 6.816 -0.597 0.756 293 HD2 PHE 36 1HD PHE 36 3.131 -0.622 -1.452 294 HE1 PHE 36 2HE PHE 36 6.804 -3.071 0.804 295 HE2 PHE 36 1HE PHE 36 3.122 -3.099 -1.404 296 HZ PHE 36 HZ PHE 36 4.959 -4.325 -0.276 297 H CYS 37 H CYS 37 3.906 3.448 1.192 298 HA CYS 37 HA CYS 37 5.342 5.671 -0.001 299 HB2 CYS 37 2HB CYS 37 3.393 6.927 0.776 300 HB3 CYS 37 1HB CYS 37 2.854 5.370 0.140 301 HXT CYS 37 2H CYS 37 6.195 7.534 3.090 Start of MODEL 8 1 H1 TYR 1 H TYR 1 -4.730 12.373 1.478 2 HA TYR 1 HA TYR 1 -3.924 11.495 -0.658 3 HB2 TYR 1 2HB TYR 1 -2.633 13.564 -1.548 4 HB3 TYR 1 1HB TYR 1 -4.264 13.825 -0.932 5 HD1 TYR 1 2HD TYR 1 -0.663 14.261 -0.245 6 HD2 TYR 1 1HD TYR 1 -4.654 14.973 1.175 7 HE1 TYR 1 2HE TYR 1 0.218 15.860 1.436 8 HE2 TYR 1 1HE TYR 1 -3.773 16.569 2.855 9 HH TYR 1 HH TYR 1 -1.650 18.055 3.038 10 H GLY 2 H GLY 2 -1.727 11.604 -2.056 11 HA2 GLY 2 2HA GLY 2 0.592 11.104 -2.214 12 HA3 GLY 2 1HA GLY 2 0.698 11.168 -0.454 13 H CYS 3 H CYS 3 0.850 9.087 -3.035 14 HA CYS 3 HA CYS 3 0.735 6.736 -3.237 15 HB2 CYS 3 2HB CYS 3 1.167 6.977 -0.244 16 HB3 CYS 3 1HB CYS 3 1.654 5.631 -1.277 17 H LEU 4 H LEU 4 -1.386 6.178 -3.755 18 HA LEU 4 HA LEU 4 -3.182 5.514 -1.451 19 HB2 LEU 4 2HB LEU 4 -3.635 7.206 -3.895 20 HB3 LEU 4 1HB LEU 4 -4.996 6.342 -3.176 21 HG LEU 4 HG LEU 4 -3.593 7.502 -1.021 22 HD11 LEU 4 1HD1 LEU 4 -3.321 9.069 -3.457 23 HD12 LEU 4 2HD1 LEU 4 -2.604 9.344 -1.871 24 HD13 LEU 4 3HD1 LEU 4 -4.221 9.953 -2.225 25 HD21 LEU 4 3HD2 LEU 4 -6.024 7.134 -1.167 26 HD22 LEU 4 1HD2 LEU 4 -6.142 8.366 -2.422 27 HD23 LEU 4 2HD2 LEU 4 -5.677 8.819 -0.783 28 H ASP 5 H ASP 5 -4.064 3.513 -1.622 29 HA ASP 5 HA ASP 5 -3.239 1.563 -3.464 30 HB2 ASP 5 2HB ASP 5 -5.042 0.264 -2.507 31 HB3 ASP 5 1HB ASP 5 -4.417 1.318 -1.235 32 H ARG 6 H ARG 6 -4.118 0.759 -5.409 33 HA ARG 6 HA ARG 6 -5.924 2.644 -6.850 34 HB2 ARG 6 2HB ARG 6 -4.158 0.324 -7.691 35 HB3 ARG 6 1HB ARG 6 -5.115 1.291 -8.812 36 HG2 ARG 6 2HG ARG 6 -3.279 2.693 -6.906 37 HG3 ARG 6 1HG ARG 6 -2.593 1.917 -8.335 38 HD2 ARG 6 2HD ARG 6 -4.736 3.232 -9.435 39 HD3 ARG 6 1HD ARG 6 -4.247 4.357 -8.151 40 HE ARG 6 HE ARG 6 -1.924 3.352 -9.515 41 HH11 ARG 6 1HH2 ARG 6 -4.614 5.499 -9.825 42 HH12 ARG 6 2HH2 ARG 6 -3.800 6.564 -10.920 43 HH21 ARG 6 1HH1 ARG 6 -0.857 4.732 -10.940 44 HH22 ARG 6 2HH1 ARG 6 -1.674 6.131 -11.551 45 H ILE 7 H ILE 7 -6.238 -0.099 -4.990 46 HA ILE 7 HA ILE 7 -8.816 -0.803 -6.307 47 HB ILE 7 HB ILE 7 -8.095 -3.260 -5.909 48 HG12 ILE 7 2HG1 ILE 7 -5.430 -3.222 -6.332 49 HG13 ILE 7 1HG1 ILE 7 -5.569 -1.779 -5.335 50 HG21 ILE 7 1HG2 ILE 7 -7.649 -1.437 -8.066 51 HG22 ILE 7 2HG2 ILE 7 -7.960 -3.170 -8.142 52 HG23 ILE 7 3HG2 ILE 7 -6.304 -2.575 -8.011 53 HD11 ILE 7 3HD1 ILE 7 -7.167 -3.990 -4.299 54 HD12 ILE 7 1HD1 ILE 7 -5.973 -2.988 -3.474 55 HD13 ILE 7 2HD1 ILE 7 -5.452 -4.393 -4.405 56 H PHE 8 H PHE 8 -9.386 -3.013 -4.613 57 HA PHE 8 HA PHE 8 -9.273 -1.783 -1.885 58 HB2 PHE 8 2HB PHE 8 -11.613 -2.197 -1.627 59 HB3 PHE 8 1HB PHE 8 -11.431 -1.473 -3.228 60 HD1 PHE 8 1HD PHE 8 -11.131 -3.131 -5.229 61 HD2 PHE 8 2HD PHE 8 -12.728 -4.249 -1.400 62 HE1 PHE 8 1HE PHE 8 -12.200 -5.119 -6.255 63 HE2 PHE 8 2HE PHE 8 -13.794 -6.238 -2.428 64 HZ PHE 8 HZ PHE 8 -13.530 -6.673 -4.855 65 H VAL 9 H VAL 9 -7.401 -3.639 -2.309 66 HA VAL 9 HA VAL 9 -8.347 -5.925 -0.705 67 HB VAL 9 HB VAL 9 -8.567 -6.173 -3.375 68 HG11 VAL 9 1HG1 VAL 9 -5.883 -5.857 -3.270 69 HG12 VAL 9 2HG1 VAL 9 -6.681 -6.844 -4.494 70 HG13 VAL 9 3HG1 VAL 9 -5.980 -7.606 -3.066 71 HG21 VAL 9 3HG2 VAL 9 -8.793 -8.469 -2.990 72 HG22 VAL 9 1HG2 VAL 9 -8.964 -7.814 -1.362 73 HG23 VAL 9 2HG2 VAL 9 -7.429 -8.515 -1.872 74 H CYS 10 H CYS 10 -6.187 -3.598 -0.916 75 HA CYS 10 HA CYS 10 -3.594 -4.717 -0.976 76 HB2 CYS 10 2HB CYS 10 -4.684 -2.544 0.849 77 HB3 CYS 10 1HB CYS 10 -2.997 -2.749 0.366 78 H THR 11 H THR 11 -6.133 -5.050 1.379 79 HA THR 11 HA THR 11 -4.500 -5.845 3.636 80 HB THR 11 HB THR 11 -7.266 -6.886 3.297 81 HG1 THR 11 1HG THR 11 -8.176 -4.973 3.043 82 HG21 THR 11 3HG2 THR 11 -6.647 -6.983 5.508 83 HG22 THR 11 1HG2 THR 11 -7.303 -5.346 5.493 84 HG23 THR 11 2HG2 THR 11 -5.562 -5.599 5.374 85 H SER 12 H SER 12 -6.746 -7.863 1.711 86 HA SER 12 HA SER 12 -5.913 -10.394 2.445 87 HB2 SER 12 2HB SER 12 -7.672 -10.385 0.947 88 HB3 SER 12 1HB SER 12 -6.961 -9.110 -0.036 89 HG SER 12 HG SER 12 -6.020 -11.787 0.131 90 H TRP 13 H TRP 13 -4.386 -8.315 -0.027 91 HA TRP 13 HA TRP 13 -2.367 -10.137 -0.883 92 HB2 TRP 13 2HB TRP 13 -2.768 -7.162 -0.787 93 HB3 TRP 13 1HB TRP 13 -1.202 -7.791 -1.292 94 HD1 TRP 13 HD TRP 13 -3.085 -10.435 -2.529 95 HE1 TRP 13 1HE TRP 13 -3.940 -10.083 -4.932 96 HE3 TRP 13 3HE TRP 13 -2.532 -5.372 -2.933 97 HZ2 TRP 13 2HZ TRP 13 -4.338 -7.941 -6.785 98 HZ3 TRP 13 3HZ TRP 13 -3.156 -4.204 -5.028 99 HH2 TRP 13 HH TRP 13 -4.057 -5.479 -6.951 100 H ALA 14 H ALA 14 -2.244 -7.582 1.627 101 HA ALA 14 HA ALA 14 0.429 -8.149 2.504 102 HB1 ALA 14 1HB ALA 14 -1.958 -7.002 3.995 103 HB2 ALA 14 2HB ALA 14 -0.885 -6.079 2.945 104 HB3 ALA 14 3HB ALA 14 -0.266 -6.784 4.438 105 H ARG 15 H ARG 15 -2.537 -9.840 2.927 106 HA ARG 15 HA ARG 15 -1.645 -11.231 5.390 107 HB2 ARG 15 2HB ARG 15 -4.133 -10.961 3.746 108 HB3 ARG 15 1HB ARG 15 -3.962 -12.400 4.751 109 HG2 ARG 15 2HG ARG 15 -3.209 -9.951 6.165 110 HG3 ARG 15 1HG ARG 15 -4.885 -9.926 5.614 111 HD2 ARG 15 2HD ARG 15 -3.788 -12.378 6.992 112 HD3 ARG 15 1HD ARG 15 -4.384 -11.002 7.939 113 HE ARG 15 HE ARG 15 -6.035 -12.798 6.338 114 HH11 ARG 15 1HH2 ARG 15 -5.631 -9.609 7.604 115 HH12 ARG 15 2HH2 ARG 15 -7.326 -9.250 7.592 116 HH21 ARG 15 1HH1 ARG 15 -8.250 -12.339 6.322 117 HH22 ARG 15 2HH1 ARG 15 -8.804 -10.791 6.866 118 H LYS 16 H LYS 16 -0.989 -11.523 2.148 119 HA LYS 16 HA LYS 16 -0.687 -14.502 2.389 120 HB2 LYS 16 2HB LYS 16 -2.470 -13.231 0.799 121 HB3 LYS 16 1HB LYS 16 -1.072 -13.239 -0.278 122 HG2 LYS 16 2HG LYS 16 -1.313 -15.441 -0.688 123 HG3 LYS 16 1HG LYS 16 -1.383 -15.810 1.035 124 HD2 LYS 16 2HD LYS 16 -3.628 -16.021 0.983 125 HD3 LYS 16 1HD LYS 16 -3.813 -14.488 0.129 126 HE2 LYS 16 2HE LYS 16 -3.425 -15.550 -2.012 127 HE3 LYS 16 1HE LYS 16 -2.988 -17.080 -1.226 128 HZ1 LYS 16 3HZ LYS 16 -5.503 -16.379 -1.979 129 HZ2 LYS 16 1HZ LYS 16 -5.499 -16.002 -0.324 130 HZ3 LYS 16 2HZ LYS 16 -5.117 -17.575 -0.838 131 H GLY 17 H GLY 17 0.969 -11.662 2.268 132 HA2 GLY 17 2HA GLY 17 3.330 -11.413 2.036 133 HA3 GLY 17 1HA GLY 17 3.390 -12.990 1.245 134 H PHE 18 H PHE 18 1.850 -9.819 0.633 135 HA PHE 18 HA PHE 18 2.642 -10.148 -2.237 136 HB2 PHE 18 2HB PHE 18 0.174 -9.857 -1.090 137 HB3 PHE 18 1HB PHE 18 0.576 -8.189 -1.485 138 HD1 PHE 18 2HD PHE 18 0.340 -11.621 -2.922 139 HD2 PHE 18 1HD PHE 18 0.493 -7.403 -3.718 140 HE1 PHE 18 2HE PHE 18 -0.199 -12.052 -5.304 141 HE2 PHE 18 1HE PHE 18 -0.045 -7.834 -6.099 142 HZ PHE 18 HZ PHE 18 -0.392 -10.158 -6.893 143 H CYS 19 H CYS 19 2.629 -7.989 0.566 144 HA CYS 19 HA CYS 19 3.859 -5.796 -1.009 145 HB2 CYS 19 2HB CYS 19 3.268 -4.472 0.784 146 HB3 CYS 19 1HB CYS 19 2.139 -5.790 1.056 147 H ASP 20 H ASP 20 5.017 -8.625 -0.000 148 HA ASP 20 HA ASP 20 7.660 -7.508 0.872 149 HB2 ASP 20 2HB ASP 20 7.862 -9.980 1.734 150 HB3 ASP 20 1HB ASP 20 6.848 -8.850 2.637 151 H VAL 21 H VAL 21 6.275 -10.369 -0.794 152 HA VAL 21 HA VAL 21 8.731 -10.651 -2.415 153 HB VAL 21 HB VAL 21 7.688 -12.727 -3.093 154 HG11 VAL 21 1HG1 VAL 21 7.903 -11.930 -0.330 155 HG12 VAL 21 2HG1 VAL 21 8.219 -13.509 -1.049 156 HG13 VAL 21 3HG1 VAL 21 6.592 -13.096 -0.507 157 HG21 VAL 21 3HG2 VAL 21 5.464 -12.053 -3.631 158 HG22 VAL 21 1HG2 VAL 21 5.183 -11.424 -2.007 159 HG23 VAL 21 2HG2 VAL 21 5.290 -13.164 -2.271 160 H ARG 22 H ARG 22 5.321 -9.737 -2.775 161 HA ARG 22 HA ARG 22 5.727 -9.155 -5.669 162 HB2 ARG 22 2HB ARG 22 3.424 -9.512 -3.772 163 HB3 ARG 22 1HB ARG 22 3.163 -8.617 -5.267 164 HG2 ARG 22 2HG ARG 22 4.651 -11.135 -5.617 165 HG3 ARG 22 1HG ARG 22 2.995 -11.346 -5.044 166 HD2 ARG 22 2HD ARG 22 2.117 -10.722 -7.050 167 HD3 ARG 22 1HD ARG 22 3.231 -9.346 -7.189 168 HE ARG 22 HE ARG 22 4.471 -11.992 -7.527 169 HH11 ARG 22 1HH2 ARG 22 2.988 -9.234 -8.995 170 HH12 ARG 22 2HH2 ARG 22 3.763 -9.476 -10.523 171 HH21 ARG 22 1HH1 ARG 22 5.479 -12.311 -9.511 172 HH22 ARG 22 2HH1 ARG 22 5.172 -11.213 -10.815 173 H GLN 23 H GLN 23 6.208 -7.613 -2.773 174 HA GLN 23 HA GLN 23 5.031 -5.176 -2.621 175 HB2 GLN 23 2HB GLN 23 6.981 -4.476 -1.524 176 HB3 GLN 23 1HB GLN 23 7.091 -6.234 -1.436 177 HG2 GLN 23 2HG GLN 23 8.359 -4.729 -3.722 178 HG3 GLN 23 1HG GLN 23 9.186 -4.909 -2.185 179 HE21 GLN 23 1HE2 GLN 23 10.577 -6.664 -2.214 180 HE22 GLN 23 2HE2 GLN 23 10.288 -8.127 -3.025 181 H ARG 24 H ARG 24 7.181 -6.160 -5.244 182 HA ARG 24 HA ARG 24 7.864 -3.712 -6.419 183 HB2 ARG 24 2HB ARG 24 7.021 -6.389 -7.550 184 HB3 ARG 24 1HB ARG 24 7.606 -5.087 -8.585 185 HG2 ARG 24 2HG ARG 24 9.729 -5.032 -7.434 186 HG3 ARG 24 1HG ARG 24 9.149 -6.165 -6.212 187 HD2 ARG 24 2HD ARG 24 8.651 -7.577 -8.509 188 HD3 ARG 24 1HD ARG 24 10.135 -6.710 -8.943 189 HE ARG 24 HE ARG 24 9.886 -8.735 -6.836 190 HH11 ARG 24 1HH2 ARG 24 11.611 -6.010 -8.086 191 HH12 ARG 24 2HH2 ARG 24 13.085 -6.416 -7.275 192 HH21 ARG 24 1HH1 ARG 24 11.801 -9.262 -5.775 193 HH22 ARG 24 2HH1 ARG 24 13.195 -8.252 -5.972 194 H LEU 25 H LEU 25 4.759 -5.435 -6.548 195 HA LEU 25 HA LEU 25 3.592 -3.244 -8.196 196 HB2 LEU 25 2HB LEU 25 3.242 -5.517 -8.962 197 HB3 LEU 25 1HB LEU 25 2.666 -6.010 -7.368 198 HG LEU 25 HG LEU 25 1.029 -3.870 -7.957 199 HD11 LEU 25 1HD1 LEU 25 2.030 -3.949 -10.293 200 HD12 LEU 25 2HD1 LEU 25 0.274 -4.089 -10.222 201 HD13 LEU 25 3HD1 LEU 25 1.263 -5.526 -10.479 202 HD21 LEU 25 3HD2 LEU 25 -0.015 -6.432 -8.928 203 HD22 LEU 25 1HD2 LEU 25 -0.551 -5.445 -7.569 204 HD23 LEU 25 2HD2 LEU 25 0.794 -6.568 -7.367 205 H MET 26 H MET 26 3.443 -4.669 -4.975 206 HA MET 26 HA MET 26 0.965 -3.346 -4.201 207 HB2 MET 26 2HB MET 26 1.950 -5.472 -3.265 208 HB3 MET 26 1HB MET 26 3.192 -4.486 -2.492 209 HG2 MET 26 2HG MET 26 1.736 -3.612 -0.948 210 HG3 MET 26 1HG MET 26 0.370 -3.649 -2.065 211 HE1 MET 26 3HE MET 26 -1.283 -5.824 0.421 212 HE2 MET 26 1HE MET 26 -1.053 -4.227 -0.303 213 HE3 MET 26 2HE MET 26 -0.067 -4.728 1.068 214 H LYS 27 H LYS 27 3.868 -1.988 -4.937 215 HA LYS 27 HA LYS 27 4.158 -0.195 -2.623 216 HB2 LYS 27 2HB LYS 27 5.563 -0.929 -5.093 217 HB3 LYS 27 1HB LYS 27 5.656 0.794 -4.736 218 HG2 LYS 27 2HG LYS 27 6.039 -0.685 -2.300 219 HG3 LYS 27 1HG LYS 27 7.145 -1.300 -3.530 220 HD2 LYS 27 2HD LYS 27 6.981 1.611 -3.582 221 HD3 LYS 27 1HD LYS 27 7.501 1.013 -2.006 222 HE2 LYS 27 2HE LYS 27 8.756 -0.209 -4.438 223 HE3 LYS 27 1HE LYS 27 9.280 1.413 -3.947 224 HZ1 LYS 27 3HZ LYS 27 9.658 0.616 -1.719 225 HZ2 LYS 27 1HZ LYS 27 10.535 -0.350 -2.807 226 HZ3 LYS 27 2HZ LYS 27 9.090 -0.932 -2.131 227 H ARG 28 H ARG 28 2.758 -0.046 -5.886 228 HA ARG 28 HA ARG 28 2.140 2.841 -5.501 229 HB2 ARG 28 2HB ARG 28 1.731 1.034 -7.897 230 HB3 ARG 28 1HB ARG 28 1.743 2.799 -7.885 231 HG2 ARG 28 2HG ARG 28 4.157 2.190 -6.701 232 HG3 ARG 28 1HG ARG 28 3.998 0.918 -7.915 233 HD2 ARG 28 2HD ARG 28 4.193 2.390 -9.663 234 HD3 ARG 28 1HD ARG 28 3.273 3.654 -8.822 235 HE ARG 28 HE ARG 28 5.693 3.289 -7.395 236 HH11 ARG 28 1HH2 ARG 28 4.581 4.295 -10.507 237 HH12 ARG 28 2HH2 ARG 28 5.877 5.415 -10.752 238 HH21 ARG 28 1HH1 ARG 28 7.392 4.751 -7.705 239 HH22 ARG 28 2HH1 ARG 28 7.465 5.676 -9.168 240 H LEU 29 H LEU 29 0.369 -0.053 -6.680 241 HA LEU 29 HA LEU 29 -2.200 1.267 -6.267 242 HB2 LEU 29 2HB LEU 29 -2.996 -1.107 -6.916 243 HB3 LEU 29 1HB LEU 29 -2.054 -0.203 -8.104 244 HG LEU 29 HG LEU 29 -0.379 -1.757 -6.268 245 HD11 LEU 29 1HD1 LEU 29 -1.463 -3.729 -6.339 246 HD12 LEU 29 2HD1 LEU 29 -1.333 -3.707 -8.097 247 HD13 LEU 29 3HD1 LEU 29 -2.750 -3.013 -7.309 248 HD21 LEU 29 3HD2 LEU 29 0.040 -2.588 -8.884 249 HD22 LEU 29 1HD2 LEU 29 0.877 -1.254 -8.088 250 HD23 LEU 29 2HD2 LEU 29 -0.549 -0.935 -9.078 251 H CYS 30 H CYS 30 -0.184 0.018 -3.969 252 HA CYS 30 HA CYS 30 -2.423 -0.353 -2.092 253 HB2 CYS 30 2HB CYS 30 -0.872 -2.562 -3.330 254 HB3 CYS 30 1HB CYS 30 -1.175 -2.705 -1.595 255 HA PRO 31 HA PRO 31 1.785 0.804 -0.326 256 HB2 PRO 31 2HB PRO 31 1.620 3.527 -0.314 257 HB3 PRO 31 1HB PRO 31 2.264 2.608 -1.692 258 HG2 PRO 31 2HG PRO 31 -0.338 3.963 -1.378 259 HG3 PRO 31 1HG PRO 31 0.604 3.643 -2.841 260 HD2 PRO 31 2HD PRO 31 -1.649 2.215 -1.954 261 HD3 PRO 31 1HD PRO 31 -0.524 1.739 -3.243 262 H ARG 32 H ARG 32 -1.489 1.288 0.376 263 HA ARG 32 HA ARG 32 -1.068 2.735 2.917 264 HB2 ARG 32 2HB ARG 32 -3.451 2.823 2.957 265 HB3 ARG 32 1HB ARG 32 -3.007 2.989 1.257 266 HG2 ARG 32 2HG ARG 32 -3.400 0.576 0.916 267 HG3 ARG 32 1HG ARG 32 -3.846 0.409 2.615 268 HD2 ARG 32 2HD ARG 32 -5.266 2.359 0.785 269 HD3 ARG 32 1HD ARG 32 -5.804 0.678 0.975 270 HE ARG 32 HE ARG 32 -5.312 1.977 3.533 271 HH11 ARG 32 1HH2 ARG 32 -7.542 1.476 0.943 272 HH12 ARG 32 2HH2 ARG 32 -8.937 1.813 1.910 273 HH21 ARG 32 1HH1 ARG 32 -7.121 2.415 4.801 274 HH22 ARG 32 2HH1 ARG 32 -8.701 2.344 4.094 275 H SER 33 H SER 33 -0.841 -0.488 1.940 276 HA SER 33 HA SER 33 -1.832 -1.560 4.536 277 HB2 SER 33 2HB SER 33 -0.956 -2.772 1.901 278 HB3 SER 33 1HB SER 33 -1.401 -3.744 3.305 279 HG SER 33 HG SER 33 -3.065 -1.716 2.229 280 H CYS 34 H CYS 34 1.083 -1.828 2.462 281 HA CYS 34 HA CYS 34 2.668 -2.897 4.704 282 HB2 CYS 34 2HB CYS 34 2.638 -3.308 2.055 283 HB3 CYS 34 1HB CYS 34 3.837 -2.019 2.114 284 H ASP 35 H ASP 35 1.723 0.185 3.805 285 HA ASP 35 HA ASP 35 2.493 2.310 4.511 286 HB2 ASP 35 2HB ASP 35 3.113 0.631 6.486 287 HB3 ASP 35 1HB ASP 35 4.761 0.977 5.949 288 H PHE 36 H PHE 36 3.277 1.607 1.984 289 HA PHE 36 HA PHE 36 6.202 1.782 1.722 290 HB2 PHE 36 2HB PHE 36 3.854 1.664 -0.185 291 HB3 PHE 36 1HB PHE 36 5.527 1.786 -0.741 292 HD1 PHE 36 2HD PHE 36 6.873 0.121 1.381 293 HD2 PHE 36 1HD PHE 36 3.271 -0.550 -0.868 294 HE1 PHE 36 2HE PHE 36 7.139 -2.324 1.676 295 HE2 PHE 36 1HE PHE 36 3.543 -2.992 -0.569 296 HZ PHE 36 HZ PHE 36 5.478 -3.877 0.698 297 H CYS 37 H CYS 37 4.335 4.049 2.805 298 HA CYS 37 HA CYS 37 5.735 6.220 1.343 299 HB2 CYS 37 2HB CYS 37 3.374 5.525 0.382 300 HB3 CYS 37 1HB CYS 37 2.766 6.422 1.778 301 HXT CYS 37 2H CYS 37 4.049 6.498 5.093 Start of MODEL 9 1 H1 TYR 1 H TYR 1 2.990 14.725 -1.830 2 HA TYR 1 HA TYR 1 2.548 13.478 -4.033 3 HB2 TYR 1 2HB TYR 1 3.741 11.237 -4.050 4 HB3 TYR 1 1HB TYR 1 4.806 12.636 -4.170 5 HD1 TYR 1 1HD TYR 1 5.905 13.522 -2.042 6 HD2 TYR 1 2HD TYR 1 3.939 9.708 -2.252 7 HE1 TYR 1 1HE TYR 1 7.091 12.799 0.013 8 HE2 TYR 1 2HE TYR 1 5.128 8.985 -0.198 9 HH TYR 1 HH TYR 1 6.624 11.053 1.888 10 H GLY 2 H GLY 2 0.429 13.122 -3.427 11 HA2 GLY 2 2HA GLY 2 -0.440 11.979 -0.975 12 HA3 GLY 2 1HA GLY 2 -1.415 12.064 -2.441 13 H CYS 3 H CYS 3 -1.100 9.853 -0.448 14 HA CYS 3 HA CYS 3 -0.469 7.705 -2.426 15 HB2 CYS 3 2HB CYS 3 0.815 6.541 -0.649 16 HB3 CYS 3 1HB CYS 3 1.518 8.116 -1.019 17 H LEU 4 H LEU 4 -2.073 6.176 -2.419 18 HA LEU 4 HA LEU 4 -3.503 5.427 0.029 19 HB2 LEU 4 2HB LEU 4 -5.651 6.313 -0.648 20 HB3 LEU 4 1HB LEU 4 -4.487 7.635 -0.740 21 HG LEU 4 HG LEU 4 -4.306 6.424 -3.239 22 HD11 LEU 4 1HD1 LEU 4 -6.450 5.209 -2.520 23 HD12 LEU 4 2HD1 LEU 4 -6.519 6.084 -4.049 24 HD13 LEU 4 3HD1 LEU 4 -7.240 6.785 -2.601 25 HD21 LEU 4 3HD2 LEU 4 -6.234 8.649 -3.026 26 HD22 LEU 4 1HD2 LEU 4 -4.714 8.560 -3.914 27 HD23 LEU 4 2HD2 LEU 4 -4.706 8.931 -2.191 28 H ASP 5 H ASP 5 -4.981 3.645 -0.373 29 HA ASP 5 HA ASP 5 -4.019 1.734 -2.252 30 HB2 ASP 5 2HB ASP 5 -5.755 0.386 -1.327 31 HB3 ASP 5 1HB ASP 5 -5.267 1.474 -0.027 32 H ARG 6 H ARG 6 -4.570 1.354 -4.352 33 HA ARG 6 HA ARG 6 -6.691 3.054 -5.582 34 HB2 ARG 6 2HB ARG 6 -4.263 1.536 -6.553 35 HB3 ARG 6 1HB ARG 6 -5.465 2.161 -7.685 36 HG2 ARG 6 2HG ARG 6 -4.487 4.056 -5.611 37 HG3 ARG 6 1HG ARG 6 -3.342 3.615 -6.880 38 HD2 ARG 6 2HD ARG 6 -6.169 4.543 -7.477 39 HD3 ARG 6 1HD ARG 6 -4.777 5.642 -7.427 40 HE ARG 6 HE ARG 6 -3.918 3.558 -9.043 41 HH11 ARG 6 1HH2 ARG 6 -6.624 5.704 -8.979 42 HH12 ARG 6 2HH2 ARG 6 -6.821 5.712 -10.699 43 HH21 ARG 6 1HH1 ARG 6 -4.169 3.561 -11.287 44 HH22 ARG 6 2HH1 ARG 6 -5.434 4.502 -12.004 45 H ILE 7 H ILE 7 -6.366 -0.008 -4.301 46 HA ILE 7 HA ILE 7 -8.547 -1.059 -6.065 47 HB ILE 7 HB ILE 7 -6.920 -3.217 -5.114 48 HG12 ILE 7 2HG1 ILE 7 -5.365 -1.014 -6.510 49 HG13 ILE 7 1HG1 ILE 7 -5.049 -1.666 -4.902 50 HG21 ILE 7 1HG2 ILE 7 -8.169 -2.276 -7.501 51 HG22 ILE 7 2HG2 ILE 7 -7.585 -3.901 -7.140 52 HG23 ILE 7 3HG2 ILE 7 -6.509 -2.722 -7.892 53 HD11 ILE 7 3HD1 ILE 7 -3.532 -2.897 -6.147 54 HD12 ILE 7 1HD1 ILE 7 -4.560 -2.912 -7.580 55 HD13 ILE 7 2HD1 ILE 7 -4.935 -3.963 -6.215 56 H PHE 8 H PHE 8 -8.723 -3.547 -4.649 57 HA PHE 8 HA PHE 8 -9.297 -2.722 -1.842 58 HB2 PHE 8 2HB PHE 8 -11.168 -3.260 -4.032 59 HB3 PHE 8 1HB PHE 8 -11.497 -4.242 -2.599 60 HD1 PHE 8 1HD PHE 8 -11.080 -2.787 -0.300 61 HD2 PHE 8 2HD PHE 8 -12.316 -1.239 -4.112 62 HE1 PHE 8 1HE PHE 8 -12.081 -0.815 0.824 63 HE2 PHE 8 2HE PHE 8 -13.316 0.732 -2.987 64 HZ PHE 8 HZ PHE 8 -13.198 0.943 -0.519 65 H VAL 9 H VAL 9 -7.774 -4.881 -3.791 66 HA VAL 9 HA VAL 9 -8.505 -7.329 -2.283 67 HB VAL 9 HB VAL 9 -7.217 -8.436 -3.975 68 HG11 VAL 9 1HG1 VAL 9 -9.384 -7.121 -4.630 69 HG12 VAL 9 2HG1 VAL 9 -8.367 -7.785 -5.910 70 HG13 VAL 9 3HG1 VAL 9 -8.271 -6.070 -5.506 71 HG21 VAL 9 3HG2 VAL 9 -5.932 -6.840 -5.630 72 HG22 VAL 9 1HG2 VAL 9 -5.179 -7.298 -4.103 73 HG23 VAL 9 2HG2 VAL 9 -5.954 -5.723 -4.266 74 H CYS 10 H CYS 10 -6.809 -4.780 -1.411 75 HA CYS 10 HA CYS 10 -4.148 -5.515 -0.860 76 HB2 CYS 10 2HB CYS 10 -6.080 -3.962 0.894 77 HB3 CYS 10 1HB CYS 10 -4.320 -3.807 0.883 78 H THR 11 H THR 11 -7.037 -6.036 1.211 79 HA THR 11 HA THR 11 -5.855 -7.326 3.390 80 HB THR 11 HB THR 11 -8.306 -6.698 2.829 81 HG1 THR 11 1HG THR 11 -7.331 -8.845 4.292 82 HG21 THR 11 3HG2 THR 11 -8.237 -9.537 1.769 83 HG22 THR 11 1HG2 THR 11 -8.487 -8.084 0.798 84 HG23 THR 11 2HG2 THR 11 -9.686 -8.558 2.000 85 H SER 12 H SER 12 -6.839 -8.774 0.285 86 HA SER 12 HA SER 12 -6.077 -11.471 0.919 87 HB2 SER 12 2HB SER 12 -6.636 -9.827 -1.525 88 HB3 SER 12 1HB SER 12 -5.943 -11.432 -1.733 89 HG SER 12 HG SER 12 -8.244 -11.444 -1.711 90 H TRP 13 H TRP 13 -4.360 -8.858 -0.820 91 HA TRP 13 HA TRP 13 -1.977 -10.319 -1.400 92 HB2 TRP 13 2HB TRP 13 -2.681 -7.405 -1.011 93 HB3 TRP 13 1HB TRP 13 -1.055 -7.913 -1.477 94 HD1 TRP 13 HD TRP 13 -2.870 -10.434 -3.097 95 HE1 TRP 13 1HE TRP 13 -3.523 -9.829 -5.517 96 HE3 TRP 13 3HE TRP 13 -2.189 -5.381 -2.952 97 HZ2 TRP 13 2HZ TRP 13 -3.730 -7.501 -7.173 98 HZ3 TRP 13 3HZ TRP 13 -2.618 -3.992 -4.957 99 HH2 TRP 13 HH TRP 13 -3.388 -5.042 -7.067 100 H ALA 14 H ALA 14 -2.510 -7.885 1.184 101 HA ALA 14 HA ALA 14 -0.087 -8.220 2.571 102 HB1 ALA 14 1HB ALA 14 -2.247 -6.666 2.808 103 HB2 ALA 14 2HB ALA 14 -1.139 -6.902 4.159 104 HB3 ALA 14 3HB ALA 14 -2.640 -7.825 4.078 105 H ARG 15 H ARG 15 -2.751 -10.420 2.331 106 HA ARG 15 HA ARG 15 -2.111 -11.873 4.811 107 HB2 ARG 15 2HB ARG 15 -4.411 -11.583 3.894 108 HB3 ARG 15 1HB ARG 15 -3.941 -12.523 2.478 109 HG2 ARG 15 2HG ARG 15 -5.075 -13.991 4.058 110 HG3 ARG 15 1HG ARG 15 -3.367 -14.432 3.989 111 HD2 ARG 15 2HD ARG 15 -2.925 -13.171 6.051 112 HD3 ARG 15 1HD ARG 15 -4.618 -12.640 6.105 113 HE ARG 15 HE ARG 15 -5.249 -14.829 6.772 114 HH11 ARG 15 1HH2 ARG 15 -1.993 -14.696 5.618 115 HH12 ARG 15 2HH2 ARG 15 -1.617 -16.309 6.117 116 HH21 ARG 15 1HH1 ARG 15 -4.770 -16.940 7.408 117 HH22 ARG 15 2HH1 ARG 15 -3.185 -17.578 7.125 118 H LYS 16 H LYS 16 -0.653 -11.720 1.811 119 HA LYS 16 HA LYS 16 0.317 -14.551 2.054 120 HB2 LYS 16 2HB LYS 16 -0.377 -12.886 -0.384 121 HB3 LYS 16 1HB LYS 16 0.470 -14.431 -0.475 122 HG2 LYS 16 2HG LYS 16 -2.208 -14.085 0.896 123 HG3 LYS 16 1HG LYS 16 -2.041 -14.583 -0.788 124 HD2 LYS 16 2HD LYS 16 -0.410 -16.075 1.203 125 HD3 LYS 16 1HD LYS 16 -2.152 -16.356 1.241 126 HE2 LYS 16 2HE LYS 16 -1.895 -17.759 -0.520 127 HE3 LYS 16 1HE LYS 16 -1.399 -16.364 -1.500 128 HZ1 LYS 16 3HZ LYS 16 0.310 -18.142 0.143 129 HZ2 LYS 16 1HZ LYS 16 0.838 -16.618 -0.381 130 HZ3 LYS 16 2HZ LYS 16 0.435 -17.814 -1.518 131 H GLY 17 H GLY 17 1.286 -11.570 2.694 132 HA2 GLY 17 2HA GLY 17 3.489 -10.759 3.015 133 HA3 GLY 17 1HA GLY 17 4.097 -12.162 2.127 134 H PHE 18 H PHE 18 1.563 -10.307 0.662 135 HA PHE 18 HA PHE 18 2.988 -9.797 -1.736 136 HB2 PHE 18 2HB PHE 18 0.431 -9.556 -0.798 137 HB3 PHE 18 1HB PHE 18 0.899 -7.862 -0.930 138 HD1 PHE 18 2HD PHE 18 1.076 -11.070 -2.870 139 HD2 PHE 18 1HD PHE 18 0.705 -6.792 -2.997 140 HE1 PHE 18 2HE PHE 18 0.763 -11.169 -5.329 141 HE2 PHE 18 1HE PHE 18 0.393 -6.892 -5.454 142 HZ PHE 18 HZ PHE 18 0.423 -9.081 -6.621 143 H CYS 19 H CYS 19 2.981 -8.062 1.310 144 HA CYS 19 HA CYS 19 3.974 -5.535 0.289 145 HB2 CYS 19 2HB CYS 19 4.117 -6.865 3.016 146 HB3 CYS 19 1HB CYS 19 4.477 -5.166 2.707 147 H ASP 20 H ASP 20 5.393 -8.577 0.430 148 HA ASP 20 HA ASP 20 8.148 -7.403 0.628 149 HB2 ASP 20 2HB ASP 20 7.017 -10.133 1.315 150 HB3 ASP 20 1HB ASP 20 8.743 -9.759 1.329 151 H VAL 21 H VAL 21 7.203 -10.614 -0.511 152 HA VAL 21 HA VAL 21 8.873 -10.702 -2.754 153 HB VAL 21 HB VAL 21 7.102 -12.385 -3.570 154 HG11 VAL 21 1HG1 VAL 21 8.022 -13.948 -2.169 155 HG12 VAL 21 2HG1 VAL 21 7.705 -12.991 -0.721 156 HG13 VAL 21 3HG1 VAL 21 9.081 -12.601 -1.754 157 HG21 VAL 21 3HG2 VAL 21 5.624 -10.980 -1.484 158 HG22 VAL 21 1HG2 VAL 21 5.698 -12.712 -1.167 159 HG23 VAL 21 2HG2 VAL 21 5.037 -12.123 -2.692 160 H ARG 22 H ARG 22 5.500 -9.520 -2.607 161 HA ARG 22 HA ARG 22 5.726 -8.602 -5.432 162 HB2 ARG 22 2HB ARG 22 3.398 -8.775 -3.493 163 HB3 ARG 22 1HB ARG 22 3.271 -8.340 -5.198 164 HG2 ARG 22 2HG ARG 22 4.705 -10.871 -4.565 165 HG3 ARG 22 1HG ARG 22 2.957 -10.870 -4.340 166 HD2 ARG 22 2HD ARG 22 2.596 -10.930 -6.576 167 HD3 ARG 22 1HD ARG 22 3.715 -9.588 -6.855 168 HE ARG 22 HE ARG 22 4.468 -12.465 -6.712 169 HH11 ARG 22 1HH2 ARG 22 5.356 -9.132 -7.168 170 HH12 ARG 22 2HH2 ARG 22 6.902 -9.520 -7.832 171 HH21 ARG 22 1HH1 ARG 22 6.480 -12.942 -7.572 172 HH22 ARG 22 2HH1 ARG 22 7.536 -11.659 -8.063 173 H GLN 23 H GLN 23 6.458 -7.395 -2.464 174 HA GLN 23 HA GLN 23 5.320 -4.987 -1.927 175 HB2 GLN 23 2HB GLN 23 7.496 -4.296 -1.135 176 HB3 GLN 23 1HB GLN 23 7.387 -6.047 -0.939 177 HG2 GLN 23 2HG GLN 23 9.257 -6.258 -2.169 178 HG3 GLN 23 1HG GLN 23 8.385 -5.604 -3.552 179 HE21 GLN 23 1HE2 GLN 23 11.207 -5.136 -2.039 180 HE22 GLN 23 2HE2 GLN 23 11.369 -3.450 -2.160 181 H ARG 24 H ARG 24 7.118 -5.668 -4.896 182 HA ARG 24 HA ARG 24 7.476 -2.892 -5.664 183 HB2 ARG 24 2HB ARG 24 8.653 -5.118 -6.393 184 HB3 ARG 24 1HB ARG 24 7.337 -5.217 -7.566 185 HG2 ARG 24 2HG ARG 24 8.682 -2.580 -7.342 186 HG3 ARG 24 1HG ARG 24 9.642 -3.879 -8.051 187 HD2 ARG 24 2HD ARG 24 7.017 -4.045 -9.173 188 HD3 ARG 24 1HD ARG 24 7.566 -2.362 -9.303 189 HE ARG 24 HE ARG 24 9.635 -4.313 -9.983 190 HH11 ARG 24 1HH2 ARG 24 6.962 -2.416 -11.074 191 HH12 ARG 24 2HH2 ARG 24 7.473 -2.416 -12.728 192 HH21 ARG 24 1HH1 ARG 24 10.307 -4.322 -12.137 193 HH22 ARG 24 2HH1 ARG 24 9.363 -3.496 -13.330 194 H LEU 25 H LEU 25 4.717 -4.855 -5.536 195 HA LEU 25 HA LEU 25 3.393 -3.484 -7.824 196 HB2 LEU 25 2HB LEU 25 3.295 -5.955 -7.579 197 HB3 LEU 25 1HB LEU 25 2.507 -5.753 -6.014 198 HG LEU 25 HG LEU 25 0.647 -4.549 -7.104 199 HD11 LEU 25 1HD1 LEU 25 1.906 -3.590 -8.981 200 HD12 LEU 25 2HD1 LEU 25 0.539 -4.525 -9.584 201 HD13 LEU 25 3HD1 LEU 25 2.165 -5.201 -9.648 202 HD21 LEU 25 3HD2 LEU 25 1.180 -7.274 -7.195 203 HD22 LEU 25 1HD2 LEU 25 0.717 -6.896 -8.854 204 HD23 LEU 25 2HD2 LEU 25 -0.381 -6.523 -7.524 205 H MET 26 H MET 26 2.296 -4.456 -4.549 206 HA MET 26 HA MET 26 0.198 -2.668 -4.217 207 HB2 MET 26 2HB MET 26 2.020 -4.227 -2.567 208 HB3 MET 26 1HB MET 26 1.513 -2.754 -1.740 209 HG2 MET 26 2HG MET 26 -0.864 -3.508 -2.746 210 HG3 MET 26 1HG MET 26 -0.109 -5.095 -2.602 211 HE1 MET 26 3HE MET 26 -1.372 -6.185 0.103 212 HE2 MET 26 1HE MET 26 0.347 -6.115 0.516 213 HE3 MET 26 2HE MET 26 -0.151 -6.338 -1.158 214 H LYS 27 H LYS 27 3.645 -2.024 -3.493 215 HA LYS 27 HA LYS 27 3.626 0.506 -2.409 216 HB2 LYS 27 2HB LYS 27 5.668 -0.662 -2.909 217 HB3 LYS 27 1HB LYS 27 5.303 -0.692 -4.632 218 HG2 LYS 27 2HG LYS 27 5.214 2.014 -4.019 219 HG3 LYS 27 1HG LYS 27 6.551 1.420 -3.036 220 HD2 LYS 27 2HD LYS 27 7.865 1.223 -4.851 221 HD3 LYS 27 1HD LYS 27 6.659 0.224 -5.662 222 HE2 LYS 27 2HE LYS 27 6.237 1.951 -7.063 223 HE3 LYS 27 1HE LYS 27 5.674 2.902 -5.674 224 HZ1 LYS 27 3HZ LYS 27 7.477 4.140 -6.258 225 HZ2 LYS 27 1HZ LYS 27 8.317 2.826 -6.925 226 HZ3 LYS 27 2HZ LYS 27 8.253 3.025 -5.238 227 H ARG 28 H ARG 28 2.673 -0.375 -5.675 228 HA ARG 28 HA ARG 28 2.420 2.489 -6.452 229 HB2 ARG 28 2HB ARG 28 2.072 -0.097 -8.006 230 HB3 ARG 28 1HB ARG 28 2.149 1.525 -8.698 231 HG2 ARG 28 2HG ARG 28 4.429 1.607 -7.321 232 HG3 ARG 28 1HG ARG 28 4.333 -0.142 -7.526 233 HD2 ARG 28 2HD ARG 28 4.049 0.201 -9.993 234 HD3 ARG 28 1HD ARG 28 4.304 1.940 -9.741 235 HE ARG 28 HE ARG 28 6.393 0.503 -8.424 236 HH11 ARG 28 1HH2 ARG 28 5.198 1.291 -11.568 237 HH12 ARG 28 2HH2 ARG 28 6.758 1.225 -12.315 238 HH21 ARG 28 1HH1 ARG 28 8.426 0.417 -9.388 239 HH22 ARG 28 2HH1 ARG 28 8.584 0.734 -11.083 240 H LEU 29 H LEU 29 0.476 -0.367 -5.723 241 HA LEU 29 HA LEU 29 -1.997 1.113 -6.500 242 HB2 LEU 29 2HB LEU 29 -1.621 -1.801 -5.762 243 HB3 LEU 29 1HB LEU 29 -2.985 -1.082 -6.625 244 HG LEU 29 HG LEU 29 -0.492 -0.443 -7.958 245 HD11 LEU 29 1HD1 LEU 29 -0.584 -3.051 -6.796 246 HD12 LEU 29 2HD1 LEU 29 0.619 -2.398 -7.910 247 HD13 LEU 29 3HD1 LEU 29 -0.807 -3.225 -8.538 248 HD21 LEU 29 3HD2 LEU 29 -2.964 -0.521 -8.754 249 HD22 LEU 29 1HD2 LEU 29 -2.685 -2.250 -8.962 250 HD23 LEU 29 2HD2 LEU 29 -1.717 -1.085 -9.865 251 H CYS 30 H CYS 30 -0.891 -1.062 -3.851 252 HA CYS 30 HA CYS 30 -2.693 0.486 -2.016 253 HB2 CYS 30 2HB CYS 30 -3.091 -2.023 -2.769 254 HB3 CYS 30 1HB CYS 30 -1.887 -2.352 -1.519 255 HA PRO 31 HA PRO 31 1.530 0.832 -0.297 256 HB2 PRO 31 2HB PRO 31 1.457 3.531 0.101 257 HB3 PRO 31 1HB PRO 31 1.919 2.801 -1.450 258 HG2 PRO 31 2HG PRO 31 -0.583 4.158 -0.680 259 HG3 PRO 31 1HG PRO 31 0.177 3.996 -2.270 260 HD2 PRO 31 2HD PRO 31 -2.011 2.516 -1.288 261 HD3 PRO 31 1HD PRO 31 -1.081 2.192 -2.768 262 H ARG 32 H ARG 32 -1.659 1.520 0.736 263 HA ARG 32 HA ARG 32 -1.109 2.544 3.391 264 HB2 ARG 32 2HB ARG 32 -3.249 2.409 1.765 265 HB3 ARG 32 1HB ARG 32 -3.575 0.988 2.757 266 HG2 ARG 32 2HG ARG 32 -4.416 2.371 4.324 267 HG3 ARG 32 1HG ARG 32 -2.781 2.990 4.568 268 HD2 ARG 32 2HD ARG 32 -3.969 4.156 2.182 269 HD3 ARG 32 1HD ARG 32 -4.973 4.459 3.614 270 HE ARG 32 HE ARG 32 -2.291 5.508 3.175 271 HH11 ARG 32 1HH2 ARG 32 -4.617 4.429 5.490 272 HH12 ARG 32 2HH2 ARG 32 -3.957 5.372 6.783 273 HH21 ARG 32 1HH1 ARG 32 -1.422 6.741 4.855 274 HH22 ARG 32 2HH1 ARG 32 -2.151 6.679 6.425 275 H SER 33 H SER 33 -2.169 -0.684 2.242 276 HA SER 33 HA SER 33 -2.168 -2.085 4.655 277 HB2 SER 33 2HB SER 33 -2.862 -2.944 2.445 278 HB3 SER 33 1HB SER 33 -1.177 -2.966 1.922 279 HG SER 33 HG SER 33 -0.992 -4.813 2.886 280 H CYS 34 H CYS 34 0.643 -1.856 2.422 281 HA CYS 34 HA CYS 34 2.429 -2.824 4.581 282 HB2 CYS 34 2HB CYS 34 3.358 -1.912 1.880 283 HB3 CYS 34 1HB CYS 34 3.922 -3.270 2.845 284 H ASP 35 H ASP 35 1.202 0.143 3.618 285 HA ASP 35 HA ASP 35 1.864 2.366 4.082 286 HB2 ASP 35 2HB ASP 35 3.815 0.908 5.893 287 HB3 ASP 35 1HB ASP 35 3.265 2.577 6.073 288 H PHE 36 H PHE 36 2.958 1.397 1.739 289 HA PHE 36 HA PHE 36 5.867 1.605 1.700 290 HB2 PHE 36 2HB PHE 36 3.659 1.519 -0.370 291 HB3 PHE 36 1HB PHE 36 5.365 1.612 -0.813 292 HD1 PHE 36 2HD PHE 36 6.582 -0.077 1.332 293 HD2 PHE 36 1HD PHE 36 3.040 -0.668 -1.026 294 HE1 PHE 36 2HE PHE 36 6.794 -2.527 1.627 295 HE2 PHE 36 1HE PHE 36 3.256 -3.120 -0.733 296 HZ PHE 36 HZ PHE 36 5.134 -4.051 0.592 297 H CYS 37 H CYS 37 3.348 3.900 1.843 298 HA CYS 37 HA CYS 37 4.890 5.970 0.372 299 HB2 CYS 37 2HB CYS 37 2.810 6.723 -0.121 300 HB3 CYS 37 1HB CYS 37 2.182 5.288 0.682 301 HXT CYS 37 2H CYS 37 5.652 8.064 3.172 Start of MODEL 10 1 H1 TYR 1 H TYR 1 3.802 9.931 -6.065 2 HA TYR 1 HA TYR 1 2.377 10.639 -4.192 3 HB2 TYR 1 2HB TYR 1 1.272 12.278 -5.637 4 HB3 TYR 1 1HB TYR 1 0.426 10.987 -6.491 5 HD1 TYR 1 1HD TYR 1 1.079 11.229 -2.833 6 HD2 TYR 1 2HD TYR 1 -1.850 11.445 -5.967 7 HE1 TYR 1 1HE TYR 1 -0.729 11.294 -1.138 8 HE2 TYR 1 2HE TYR 1 -3.659 11.511 -4.273 9 HH TYR 1 HH TYR 1 -3.013 10.966 -0.876 10 H GLY 2 H GLY 2 1.935 8.817 -3.024 11 HA2 GLY 2 2HA GLY 2 -0.101 6.925 -3.927 12 HA3 GLY 2 1HA GLY 2 1.527 6.244 -3.899 13 H CYS 3 H CYS 3 -0.877 7.886 -1.849 14 HA CYS 3 HA CYS 3 0.464 6.672 0.546 15 HB2 CYS 3 2HB CYS 3 0.146 9.232 0.161 16 HB3 CYS 3 1HB CYS 3 -1.545 8.922 0.557 17 H LEU 4 H LEU 4 -2.350 6.584 -1.435 18 HA LEU 4 HA LEU 4 -3.788 5.025 0.686 19 HB2 LEU 4 2HB LEU 4 -5.733 6.147 0.151 20 HB3 LEU 4 1HB LEU 4 -4.572 7.401 -0.270 21 HG LEU 4 HG LEU 4 -4.689 5.954 -2.605 22 HD11 LEU 4 1HD1 LEU 4 -6.558 4.600 -1.610 23 HD12 LEU 4 2HD1 LEU 4 -7.030 5.479 -3.066 24 HD13 LEU 4 3HD1 LEU 4 -7.503 6.083 -1.478 25 HD21 LEU 4 3HD2 LEU 4 -6.044 8.415 -1.562 26 HD22 LEU 4 1HD2 LEU 4 -6.486 7.826 -3.165 27 HD23 LEU 4 2HD2 LEU 4 -4.813 8.263 -2.816 28 H ASP 5 H ASP 5 -5.065 3.251 -0.087 29 HA ASP 5 HA ASP 5 -3.775 1.592 -2.019 30 HB2 ASP 5 2HB ASP 5 -5.824 0.212 -1.619 31 HB3 ASP 5 1HB ASP 5 -5.071 0.775 -0.128 32 H ARG 6 H ARG 6 -4.879 0.688 -3.989 33 HA ARG 6 HA ARG 6 -6.306 2.867 -5.475 34 HB2 ARG 6 2HB ARG 6 -4.243 0.822 -6.088 35 HB3 ARG 6 1HB ARG 6 -5.422 1.125 -7.361 36 HG2 ARG 6 2HG ARG 6 -3.994 3.381 -5.951 37 HG3 ARG 6 1HG ARG 6 -3.313 2.594 -7.376 38 HD2 ARG 6 2HD ARG 6 -5.775 3.034 -8.337 39 HD3 ARG 6 1HD ARG 6 -5.714 4.361 -7.162 40 HE ARG 6 HE ARG 6 -4.027 4.106 -9.552 41 HH11 ARG 6 1HH2 ARG 6 -4.428 5.436 -6.384 42 HH12 ARG 6 2HH2 ARG 6 -3.374 6.777 -6.677 43 HH21 ARG 6 1HH1 ARG 6 -2.648 5.849 -9.935 44 HH22 ARG 6 2HH1 ARG 6 -2.367 7.010 -8.681 45 H ILE 7 H ILE 7 -6.789 -0.170 -4.033 46 HA ILE 7 HA ILE 7 -9.384 -0.466 -5.462 47 HB ILE 7 HB ILE 7 -8.818 -2.910 -5.777 48 HG12 ILE 7 2HG1 ILE 7 -6.449 -1.983 -4.325 49 HG13 ILE 7 1HG1 ILE 7 -7.029 -3.624 -4.581 50 HG21 ILE 7 1HG2 ILE 7 -7.412 -2.489 -7.766 51 HG22 ILE 7 2HG2 ILE 7 -7.014 -0.887 -7.147 52 HG23 ILE 7 3HG2 ILE 7 -8.671 -1.263 -7.615 53 HD11 ILE 7 3HD1 ILE 7 -4.965 -3.635 -5.686 54 HD12 ILE 7 1HD1 ILE 7 -5.168 -1.992 -6.291 55 HD13 ILE 7 2HD1 ILE 7 -6.094 -3.314 -7.001 56 H PHE 8 H PHE 8 -10.038 -2.982 -4.354 57 HA PHE 8 HA PHE 8 -10.033 -2.360 -1.420 58 HB2 PHE 8 2HB PHE 8 -12.112 -3.251 -3.386 59 HB3 PHE 8 1HB PHE 8 -12.273 -3.762 -1.703 60 HD1 PHE 8 1HD PHE 8 -11.637 -1.717 0.017 61 HD2 PHE 8 2HD PHE 8 -13.251 -1.311 -3.942 62 HE1 PHE 8 1HE PHE 8 -12.518 0.526 0.607 63 HE2 PHE 8 2HE PHE 8 -14.135 0.930 -3.351 64 HZ PHE 8 HZ PHE 8 -13.769 1.848 -1.078 65 H VAL 9 H VAL 9 -8.178 -4.136 -3.041 66 HA VAL 9 HA VAL 9 -8.752 -6.697 -1.582 67 HB VAL 9 HB VAL 9 -9.145 -6.805 -4.038 68 HG11 VAL 9 1HG1 VAL 9 -6.591 -5.387 -4.019 69 HG12 VAL 9 2HG1 VAL 9 -7.788 -5.518 -5.307 70 HG13 VAL 9 3HG1 VAL 9 -6.570 -6.778 -5.103 71 HG21 VAL 9 3HG2 VAL 9 -8.070 -8.863 -4.307 72 HG22 VAL 9 1HG2 VAL 9 -8.012 -8.672 -2.555 73 HG23 VAL 9 2HG2 VAL 9 -6.589 -8.303 -3.530 74 H CYS 10 H CYS 10 -6.835 -4.096 -1.488 75 HA CYS 10 HA CYS 10 -4.143 -4.947 -1.624 76 HB2 CYS 10 2HB CYS 10 -5.423 -3.070 0.392 77 HB3 CYS 10 1HB CYS 10 -3.747 -3.035 -0.160 78 H THR 11 H THR 11 -6.472 -5.208 1.069 79 HA THR 11 HA THR 11 -4.740 -6.235 3.062 80 HB THR 11 HB THR 11 -7.586 -7.142 2.610 81 HG1 THR 11 1HG THR 11 -6.600 -4.599 3.354 82 HG21 THR 11 3HG2 THR 11 -6.590 -8.044 4.589 83 HG22 THR 11 1HG2 THR 11 -7.624 -6.717 5.117 84 HG23 THR 11 2HG2 THR 11 -5.877 -6.490 5.018 85 H SER 12 H SER 12 -6.841 -8.100 0.821 86 HA SER 12 HA SER 12 -6.042 -10.698 1.490 87 HB2 SER 12 2HB SER 12 -6.708 -9.404 -1.168 88 HB3 SER 12 1HB SER 12 -6.573 -11.147 -0.958 89 HG SER 12 HG SER 12 -8.724 -10.405 -0.699 90 H TRP 13 H TRP 13 -4.256 -8.231 -0.237 91 HA TRP 13 HA TRP 13 -2.225 -10.078 -1.273 92 HB2 TRP 13 2HB TRP 13 -2.684 -7.096 -1.175 93 HB3 TRP 13 1HB TRP 13 -1.152 -7.752 -1.756 94 HD1 TRP 13 HD TRP 13 -3.170 -10.367 -2.839 95 HE1 TRP 13 1HE TRP 13 -4.126 -10.038 -5.210 96 HE3 TRP 13 3HE TRP 13 -2.480 -5.331 -3.382 97 HZ2 TRP 13 2HZ TRP 13 -4.541 -7.923 -7.087 98 HZ3 TRP 13 3HZ TRP 13 -3.170 -4.189 -5.469 99 HH2 TRP 13 HH TRP 13 -4.200 -5.476 -7.320 100 H ALA 14 H ALA 14 -2.346 -7.533 1.247 101 HA ALA 14 HA ALA 14 0.319 -7.847 2.201 102 HB1 ALA 14 1HB ALA 14 -1.303 -7.133 4.370 103 HB2 ALA 14 2HB ALA 14 -2.194 -6.575 2.955 104 HB3 ALA 14 3HB ALA 14 -0.542 -6.023 3.231 105 H ARG 15 H ARG 15 -2.385 -9.956 2.444 106 HA ARG 15 HA ARG 15 -1.313 -11.326 4.861 107 HB2 ARG 15 2HB ARG 15 -3.828 -10.683 4.076 108 HB3 ARG 15 1HB ARG 15 -3.708 -12.306 3.394 109 HG2 ARG 15 2HG ARG 15 -4.442 -12.840 5.521 110 HG3 ARG 15 1HG ARG 15 -2.700 -12.854 5.799 111 HD2 ARG 15 2HD ARG 15 -2.976 -10.328 6.364 112 HD3 ARG 15 1HD ARG 15 -4.699 -10.715 6.537 113 HE ARG 15 HE ARG 15 -2.561 -11.623 8.316 114 HH11 ARG 15 1HH2 ARG 15 -5.687 -12.240 6.981 115 HH12 ARG 15 2HH2 ARG 15 -6.208 -13.209 8.317 116 HH21 ARG 15 1HH1 ARG 15 -3.230 -12.889 10.064 117 HH22 ARG 15 2HH1 ARG 15 -4.819 -13.580 10.058 118 H LYS 16 H LYS 16 -0.901 -11.433 1.532 119 HA LYS 16 HA LYS 16 -0.330 -14.379 1.577 120 HB2 LYS 16 2HB LYS 16 -2.111 -13.198 0.032 121 HB3 LYS 16 1HB LYS 16 -0.696 -12.732 -0.912 122 HG2 LYS 16 2HG LYS 16 -0.080 -15.297 -0.634 123 HG3 LYS 16 1HG LYS 16 -1.822 -15.459 -0.407 124 HD2 LYS 16 2HD LYS 16 -0.452 -14.157 -2.778 125 HD3 LYS 16 1HD LYS 16 -1.252 -15.729 -2.779 126 HE2 LYS 16 2HE LYS 16 -3.263 -14.746 -3.126 127 HE3 LYS 16 1HE LYS 16 -3.034 -13.701 -1.710 128 HZ1 LYS 16 3HZ LYS 16 -1.538 -13.203 -4.205 129 HZ2 LYS 16 1HZ LYS 16 -1.895 -12.125 -2.946 130 HZ3 LYS 16 2HZ LYS 16 -3.119 -12.607 -4.023 131 H GLY 17 H GLY 17 1.208 -11.474 1.832 132 HA2 GLY 17 2HA GLY 17 3.579 -11.153 1.806 133 HA3 GLY 17 1HA GLY 17 3.742 -12.616 0.832 134 H PHE 18 H PHE 18 1.819 -9.657 0.354 135 HA PHE 18 HA PHE 18 2.902 -9.476 -2.424 136 HB2 PHE 18 2HB PHE 18 0.398 -9.501 -1.447 137 HB3 PHE 18 1HB PHE 18 0.695 -7.771 -1.380 138 HD1 PHE 18 1HD PHE 18 1.593 -10.516 -3.788 139 HD2 PHE 18 2HD PHE 18 -0.210 -6.660 -3.212 140 HE1 PHE 18 1HE PHE 18 1.140 -10.363 -6.222 141 HE2 PHE 18 2HE PHE 18 -0.659 -6.506 -5.646 142 HZ PHE 18 HZ PHE 18 0.010 -8.358 -7.150 143 H CYS 19 H CYS 19 2.528 -7.678 0.606 144 HA CYS 19 HA CYS 19 3.650 -5.194 -0.425 145 HB2 CYS 19 2HB CYS 19 2.780 -4.480 1.542 146 HB3 CYS 19 1HB CYS 19 2.254 -6.130 1.837 147 H ASP 20 H ASP 20 4.993 -8.200 0.210 148 HA ASP 20 HA ASP 20 7.654 -7.050 0.955 149 HB2 ASP 20 2HB ASP 20 6.780 -8.696 2.504 150 HB3 ASP 20 1HB ASP 20 6.407 -9.807 1.181 151 H VAL 21 H VAL 21 7.138 -10.198 -0.531 152 HA VAL 21 HA VAL 21 9.208 -9.927 -2.435 153 HB VAL 21 HB VAL 21 8.000 -11.867 -3.541 154 HG11 VAL 21 1HG1 VAL 21 8.169 -12.130 -0.532 155 HG12 VAL 21 2HG1 VAL 21 9.598 -12.028 -1.560 156 HG13 VAL 21 3HG1 VAL 21 8.474 -13.373 -1.745 157 HG21 VAL 21 3HG2 VAL 21 5.710 -10.961 -2.840 158 HG22 VAL 21 1HG2 VAL 21 6.071 -11.583 -1.231 159 HG23 VAL 21 2HG2 VAL 21 5.969 -12.688 -2.600 160 H ARG 22 H ARG 22 5.732 -9.116 -2.736 161 HA ARG 22 HA ARG 22 6.210 -8.240 -5.544 162 HB2 ARG 22 2HB ARG 22 4.050 -9.329 -3.995 163 HB3 ARG 22 1HB ARG 22 3.546 -7.767 -4.643 164 HG2 ARG 22 2HG ARG 22 3.076 -9.662 -6.207 165 HG3 ARG 22 1HG ARG 22 4.159 -8.456 -6.900 166 HD2 ARG 22 2HD ARG 22 5.875 -10.239 -5.587 167 HD3 ARG 22 1HD ARG 22 4.668 -11.274 -6.374 168 HE ARG 22 HE ARG 22 5.623 -9.089 -8.072 169 HH11 ARG 22 1HH2 ARG 22 6.090 -12.330 -6.965 170 HH12 ARG 22 2HH2 ARG 22 6.974 -12.819 -8.371 171 HH21 ARG 22 1HH1 ARG 22 6.783 -9.719 -9.909 172 HH22 ARG 22 2HH1 ARG 22 7.367 -11.344 -10.032 173 H GLN 23 H GLN 23 6.608 -6.963 -2.543 174 HA GLN 23 HA GLN 23 5.425 -4.584 -2.094 175 HB2 GLN 23 2HB GLN 23 7.384 -5.449 -0.913 176 HB3 GLN 23 1HB GLN 23 8.403 -5.116 -2.316 177 HG2 GLN 23 2HG GLN 23 7.315 -2.668 -1.959 178 HG3 GLN 23 1HG GLN 23 7.301 -3.246 -0.293 179 HE21 GLN 23 1HE2 GLN 23 9.056 -1.124 -1.300 180 HE22 GLN 23 2HE2 GLN 23 10.652 -1.677 -1.128 181 H ARG 24 H ARG 24 7.859 -5.015 -4.692 182 HA ARG 24 HA ARG 24 8.128 -2.414 -5.632 183 HB2 ARG 24 2HB ARG 24 8.036 -5.136 -6.887 184 HB3 ARG 24 1HB ARG 24 8.161 -3.726 -7.939 185 HG2 ARG 24 2HG ARG 24 10.269 -3.182 -7.198 186 HG3 ARG 24 1HG ARG 24 9.977 -3.818 -5.578 187 HD2 ARG 24 2HD ARG 24 9.845 -5.955 -7.542 188 HD3 ARG 24 1HD ARG 24 11.400 -5.106 -7.630 189 HE ARG 24 HE ARG 24 10.703 -5.485 -4.881 190 HH11 ARG 24 1HH2 ARG 24 11.711 -7.188 -7.712 191 HH12 ARG 24 2HH2 ARG 24 12.503 -8.448 -6.829 192 HH21 ARG 24 1HH1 ARG 24 11.739 -7.125 -3.720 193 HH22 ARG 24 2HH1 ARG 24 12.520 -8.412 -4.574 194 H LEU 25 H LEU 25 5.306 -4.492 -5.920 195 HA LEU 25 HA LEU 25 4.002 -2.610 -7.812 196 HB2 LEU 25 2HB LEU 25 3.801 -4.917 -8.360 197 HB3 LEU 25 1HB LEU 25 3.422 -5.357 -6.696 198 HG LEU 25 HG LEU 25 1.530 -3.397 -7.657 199 HD11 LEU 25 1HD1 LEU 25 1.667 -4.103 -9.869 200 HD12 LEU 25 2HD1 LEU 25 0.481 -5.247 -9.241 201 HD13 LEU 25 3HD1 LEU 25 2.166 -5.735 -9.424 202 HD21 LEU 25 3HD2 LEU 25 1.665 -5.889 -6.176 203 HD22 LEU 25 1HD2 LEU 25 0.300 -5.904 -7.292 204 HD23 LEU 25 2HD2 LEU 25 0.447 -4.617 -6.096 205 H MET 26 H MET 26 3.526 -3.953 -4.534 206 HA MET 26 HA MET 26 1.057 -2.792 -3.866 207 HB2 MET 26 2HB MET 26 2.939 -4.283 -2.634 208 HB3 MET 26 1HB MET 26 3.247 -2.732 -1.850 209 HG2 MET 26 2HG MET 26 1.491 -3.142 -0.501 210 HG3 MET 26 1HG MET 26 0.444 -3.005 -1.914 211 HE1 MET 26 3HE MET 26 -1.453 -4.917 -1.490 212 HE2 MET 26 1HE MET 26 -0.765 -4.327 0.029 213 HE3 MET 26 2HE MET 26 -1.035 -6.051 -0.209 214 H LYS 27 H LYS 27 4.309 -1.337 -3.517 215 HA LYS 27 HA LYS 27 3.674 1.095 -2.315 216 HB2 LYS 27 2HB LYS 27 5.884 -0.008 -3.242 217 HB3 LYS 27 1HB LYS 27 5.545 0.981 -4.662 218 HG2 LYS 27 2HG LYS 27 5.482 3.000 -3.277 219 HG3 LYS 27 1HG LYS 27 5.740 2.034 -1.824 220 HD2 LYS 27 2HD LYS 27 7.966 1.895 -2.188 221 HD3 LYS 27 1HD LYS 27 7.739 1.505 -3.893 222 HE2 LYS 27 2HE LYS 27 8.855 3.624 -3.887 223 HE3 LYS 27 1HE LYS 27 7.150 4.015 -4.190 224 HZ1 LYS 27 3HZ LYS 27 8.574 5.065 -2.181 225 HZ2 LYS 27 1HZ LYS 27 7.884 3.727 -1.401 226 HZ3 LYS 27 2HZ LYS 27 6.885 4.882 -2.147 227 H ARG 28 H ARG 28 2.979 0.082 -5.617 228 HA ARG 28 HA ARG 28 2.115 2.839 -6.348 229 HB2 ARG 28 2HB ARG 28 2.722 0.260 -7.780 230 HB3 ARG 28 1HB ARG 28 1.802 1.524 -8.596 231 HG2 ARG 28 2HG ARG 28 3.801 3.034 -7.621 232 HG3 ARG 28 1HG ARG 28 4.660 1.499 -7.760 233 HD2 ARG 28 2HD ARG 28 4.360 1.394 -10.091 234 HD3 ARG 28 1HD ARG 28 2.990 2.521 -10.059 235 HE ARG 28 HE ARG 28 4.537 4.308 -10.050 236 HH11 ARG 28 1HH2 ARG 28 6.002 1.335 -9.082 237 HH12 ARG 28 2HH2 ARG 28 7.608 1.982 -9.068 238 HH21 ARG 28 1HH1 ARG 28 6.626 5.161 -10.038 239 HH22 ARG 28 2HH1 ARG 28 7.962 4.145 -9.608 240 H LEU 29 H LEU 29 0.818 -0.495 -6.194 241 HA LEU 29 HA LEU 29 -1.890 0.422 -6.849 242 HB2 LEU 29 2HB LEU 29 -0.463 -2.151 -6.281 243 HB3 LEU 29 1HB LEU 29 -2.228 -2.126 -6.184 244 HG LEU 29 HG LEU 29 -0.659 -1.120 -8.574 245 HD11 LEU 29 1HD1 LEU 29 -0.498 -3.241 -9.317 246 HD12 LEU 29 2HD1 LEU 29 -2.220 -3.507 -9.040 247 HD13 LEU 29 3HD1 LEU 29 -1.065 -3.791 -7.738 248 HD21 LEU 29 3HD2 LEU 29 -3.147 -0.424 -7.908 249 HD22 LEU 29 1HD2 LEU 29 -3.523 -1.992 -8.622 250 HD23 LEU 29 2HD2 LEU 29 -2.714 -0.756 -9.584 251 H CYS 30 H CYS 30 -0.363 -1.096 -3.959 252 HA CYS 30 HA CYS 30 -2.516 0.208 -2.326 253 HB2 CYS 30 2HB CYS 30 -1.465 -2.631 -2.265 254 HB3 CYS 30 1HB CYS 30 -2.522 -1.955 -1.025 255 HA PRO 31 HA PRO 31 1.550 1.051 -0.367 256 HB2 PRO 31 2HB PRO 31 1.097 3.707 0.090 257 HB3 PRO 31 1HB PRO 31 1.751 3.094 -1.443 258 HG2 PRO 31 2HG PRO 31 -0.978 4.038 -0.791 259 HG3 PRO 31 1HG PRO 31 -0.088 4.114 -2.320 260 HD2 PRO 31 2HD PRO 31 -2.093 2.285 -1.690 261 HD3 PRO 31 1HD PRO 31 -0.925 2.129 -3.021 262 H ARG 32 H ARG 32 -1.764 1.863 0.442 263 HA ARG 32 HA ARG 32 -1.427 2.527 3.217 264 HB2 ARG 32 2HB ARG 32 -3.389 2.936 1.659 265 HB3 ARG 32 1HB ARG 32 -3.785 1.226 1.824 266 HG2 ARG 32 2HG ARG 32 -4.087 1.473 4.222 267 HG3 ARG 32 1HG ARG 32 -3.540 3.150 4.153 268 HD2 ARG 32 2HD ARG 32 -5.500 3.413 2.398 269 HD3 ARG 32 1HD ARG 32 -6.143 1.976 3.215 270 HE ARG 32 HE ARG 32 -5.855 4.638 4.405 271 HH11 ARG 32 1HH2 ARG 32 -6.052 1.224 4.907 272 HH12 ARG 32 2HH2 ARG 32 -6.620 1.370 6.535 273 HH21 ARG 32 1HH1 ARG 32 -6.593 4.836 6.524 274 HH22 ARG 32 2HH1 ARG 32 -6.929 3.410 7.449 275 H SER 33 H SER 33 -1.368 -0.497 1.507 276 HA SER 33 HA SER 33 -2.264 -2.296 3.521 277 HB2 SER 33 2HB SER 33 -1.642 -2.586 1.011 278 HB3 SER 33 1HB SER 33 -0.003 -2.850 1.604 279 HG SER 33 HG SER 33 -1.978 -4.581 1.495 280 H CYS 34 H CYS 34 1.190 -1.875 2.641 281 HA CYS 34 HA CYS 34 1.898 -2.560 5.446 282 HB2 CYS 34 2HB CYS 34 3.021 -2.884 2.761 283 HB3 CYS 34 1HB CYS 34 4.219 -2.334 3.936 284 H ASP 35 H ASP 35 0.824 0.084 4.943 285 HA ASP 35 HA ASP 35 1.331 2.347 5.395 286 HB2 ASP 35 2HB ASP 35 3.703 1.069 6.784 287 HB3 ASP 35 1HB ASP 35 2.887 2.573 7.224 288 H PHE 36 H PHE 36 2.535 1.151 2.907 289 HA PHE 36 HA PHE 36 5.205 1.810 2.397 290 HB2 PHE 36 2HB PHE 36 2.648 2.009 0.819 291 HB3 PHE 36 1HB PHE 36 4.178 2.525 0.097 292 HD1 PHE 36 1HD PHE 36 6.034 0.940 -0.210 293 HD2 PHE 36 2HD PHE 36 2.202 -0.341 1.244 294 HE1 PHE 36 1HE PHE 36 6.633 -1.410 -0.700 295 HE2 PHE 36 2HE PHE 36 2.802 -2.694 0.753 296 HZ PHE 36 HZ PHE 36 5.019 -3.231 -0.220 297 H CYS 37 H CYS 37 2.529 3.961 3.048 298 HA CYS 37 HA CYS 37 3.954 6.363 2.111 299 HB2 CYS 37 2HB CYS 37 1.436 5.836 2.039 300 HB3 CYS 37 1HB CYS 37 1.435 6.171 3.773 301 HXT CYS 37 2H CYS 37 4.347 5.722 6.126 Start of MODEL 11 1 H1 TYR 1 H TYR 1 4.012 11.114 -1.997 2 HA TYR 1 HA TYR 1 2.618 13.272 -0.662 3 HB2 TYR 1 2HB TYR 1 3.921 13.776 -3.185 4 HB3 TYR 1 1HB TYR 1 2.174 13.925 -3.388 5 HD1 TYR 1 1HD TYR 1 1.312 14.857 -0.735 6 HD2 TYR 1 2HD TYR 1 4.728 15.986 -3.080 7 HE1 TYR 1 1HE TYR 1 1.364 17.060 0.403 8 HE2 TYR 1 2HE TYR 1 4.782 18.189 -1.942 9 HH TYR 1 HH TYR 1 4.006 19.157 0.221 10 H GLY 2 H GLY 2 2.507 11.279 -3.642 11 HA2 GLY 2 2HA GLY 2 -0.380 10.822 -3.248 12 HA3 GLY 2 1HA GLY 2 0.581 10.251 -4.613 13 H CYS 3 H CYS 3 -0.542 9.503 -1.408 14 HA CYS 3 HA CYS 3 0.711 6.787 -1.660 15 HB2 CYS 3 2HB CYS 3 0.134 8.336 0.882 16 HB3 CYS 3 1HB CYS 3 1.082 6.856 0.729 17 H LEU 4 H LEU 4 -1.174 5.744 -2.450 18 HA LEU 4 HA LEU 4 -3.250 5.185 -0.467 19 HB2 LEU 4 2HB LEU 4 -5.039 6.319 -1.522 20 HB3 LEU 4 1HB LEU 4 -3.715 7.478 -1.603 21 HG LEU 4 HG LEU 4 -4.488 5.566 -3.829 22 HD11 LEU 4 1HD1 LEU 4 -4.766 8.303 -4.555 23 HD12 LEU 4 2HD1 LEU 4 -5.596 8.088 -3.014 24 HD13 LEU 4 3HD1 LEU 4 -6.038 7.092 -4.401 25 HD21 LEU 4 3HD2 LEU 4 -2.975 7.345 -5.062 26 HD22 LEU 4 1HD2 LEU 4 -2.224 6.012 -4.185 27 HD23 LEU 4 2HD2 LEU 4 -2.318 7.610 -3.447 28 H ASP 5 H ASP 5 -4.889 3.638 -1.405 29 HA ASP 5 HA ASP 5 -3.542 1.837 -3.362 30 HB2 ASP 5 2HB ASP 5 -5.026 0.161 -2.374 31 HB3 ASP 5 1HB ASP 5 -4.235 1.066 -1.082 32 H ARG 6 H ARG 6 -5.439 0.519 -4.630 33 HA ARG 6 HA ARG 6 -7.431 2.518 -5.650 34 HB2 ARG 6 2HB ARG 6 -6.784 1.840 -7.944 35 HB3 ARG 6 1HB ARG 6 -5.411 2.514 -7.065 36 HG2 ARG 6 2HG ARG 6 -4.796 0.131 -6.427 37 HG3 ARG 6 1HG ARG 6 -6.011 -0.405 -7.589 38 HD2 ARG 6 2HD ARG 6 -3.565 1.294 -8.190 39 HD3 ARG 6 1HD ARG 6 -3.874 -0.365 -8.740 40 HE ARG 6 HE ARG 6 -6.103 0.954 -9.625 41 HH11 ARG 6 1HH2 ARG 6 -2.717 1.614 -9.814 42 HH12 ARG 6 2HH2 ARG 6 -2.831 2.424 -11.340 43 HH21 ARG 6 1HH1 ARG 6 -6.259 2.005 -11.615 44 HH22 ARG 6 2HH1 ARG 6 -4.832 2.645 -12.358 45 H ILE 7 H ILE 7 -7.237 -0.290 -4.120 46 HA ILE 7 HA ILE 7 -9.745 -1.304 -5.282 47 HB ILE 7 HB ILE 7 -8.603 -3.601 -5.577 48 HG12 ILE 7 2HG1 ILE 7 -6.175 -1.780 -5.544 49 HG13 ILE 7 1HG1 ILE 7 -6.533 -3.047 -4.370 50 HG21 ILE 7 1HG2 ILE 7 -8.331 -3.154 -7.821 51 HG22 ILE 7 2HG2 ILE 7 -7.431 -1.667 -7.525 52 HG23 ILE 7 3HG2 ILE 7 -9.186 -1.685 -7.350 53 HD11 ILE 7 3HD1 ILE 7 -6.414 -3.730 -7.292 54 HD12 ILE 7 1HD1 ILE 7 -6.122 -4.767 -5.896 55 HD13 ILE 7 2HD1 ILE 7 -4.917 -3.570 -6.372 56 H PHE 8 H PHE 8 -10.575 -3.167 -3.950 57 HA PHE 8 HA PHE 8 -9.796 -2.806 -1.105 58 HB2 PHE 8 2HB PHE 8 -12.189 -3.205 -2.605 59 HB3 PHE 8 1HB PHE 8 -11.995 -4.608 -1.549 60 HD1 PHE 8 1HD PHE 8 -10.806 -1.132 -0.938 61 HD2 PHE 8 2HD PHE 8 -13.621 -4.193 0.138 62 HE1 PHE 8 1HE PHE 8 -11.545 0.229 0.999 63 HE2 PHE 8 2HE PHE 8 -14.359 -2.832 2.076 64 HZ PHE 8 HZ PHE 8 -13.321 -0.621 2.506 65 H VAL 9 H VAL 9 -7.913 -4.249 -2.684 66 HA VAL 9 HA VAL 9 -8.233 -7.003 -1.550 67 HB VAL 9 HB VAL 9 -7.984 -6.046 -4.286 68 HG11 VAL 9 1HG1 VAL 9 -5.544 -6.531 -3.840 69 HG12 VAL 9 2HG1 VAL 9 -6.264 -7.518 -5.115 70 HG13 VAL 9 3HG1 VAL 9 -6.001 -8.204 -3.511 71 HG21 VAL 9 3HG2 VAL 9 -9.346 -7.979 -2.934 72 HG22 VAL 9 1HG2 VAL 9 -8.089 -8.944 -3.707 73 HG23 VAL 9 2HG2 VAL 9 -9.166 -7.951 -4.688 74 H CYS 10 H CYS 10 -6.625 -4.281 -1.031 75 HA CYS 10 HA CYS 10 -3.835 -4.947 -1.240 76 HB2 CYS 10 2HB CYS 10 -5.151 -3.205 0.858 77 HB3 CYS 10 1HB CYS 10 -3.535 -3.030 0.171 78 H THR 11 H THR 11 -5.964 -4.964 1.650 79 HA THR 11 HA THR 11 -4.260 -6.140 3.509 80 HB THR 11 HB THR 11 -6.998 -7.241 3.461 81 HG1 THR 11 1HG THR 11 -7.994 -5.465 3.006 82 HG21 THR 11 3HG2 THR 11 -6.210 -5.230 5.462 83 HG22 THR 11 1HG2 THR 11 -5.115 -6.611 5.354 84 HG23 THR 11 2HG2 THR 11 -6.828 -6.867 5.690 85 H SER 12 H SER 12 -6.473 -7.940 1.330 86 HA SER 12 HA SER 12 -5.745 -10.560 1.982 87 HB2 SER 12 2HB SER 12 -7.492 -10.342 0.458 88 HB3 SER 12 1HB SER 12 -6.649 -9.115 -0.484 89 HG SER 12 HG SER 12 -6.260 -10.777 -1.735 90 H TRP 13 H TRP 13 -4.068 -8.295 -0.202 91 HA TRP 13 HA TRP 13 -2.078 -10.164 -1.126 92 HB2 TRP 13 2HB TRP 13 -2.516 -7.203 -1.054 93 HB3 TRP 13 1HB TRP 13 -0.897 -7.784 -1.449 94 HD1 TRP 13 HD TRP 13 -2.057 -10.483 -2.928 95 HE1 TRP 13 1HE TRP 13 -2.975 -10.219 -5.319 96 HE3 TRP 13 3HE TRP 13 -2.944 -5.451 -2.985 97 HZ2 TRP 13 2HZ TRP 13 -3.958 -8.153 -7.030 98 HZ3 TRP 13 3HZ TRP 13 -3.869 -4.362 -5.013 99 HH2 TRP 13 HH TRP 13 -4.376 -5.706 -7.032 100 H ALA 14 H ALA 14 -2.095 -7.744 1.496 101 HA ALA 14 HA ALA 14 0.533 -7.929 2.428 102 HB1 ALA 14 1HB ALA 14 -1.605 -6.610 3.200 103 HB2 ALA 14 2HB ALA 14 -0.354 -6.982 4.386 104 HB3 ALA 14 3HB ALA 14 -1.817 -7.964 4.309 105 H ARG 15 H ARG 15 -2.194 -10.111 3.182 106 HA ARG 15 HA ARG 15 -0.513 -11.863 4.837 107 HB2 ARG 15 2HB ARG 15 -3.365 -11.705 3.905 108 HB3 ARG 15 1HB ARG 15 -2.773 -13.213 4.601 109 HG2 ARG 15 2HG ARG 15 -2.430 -10.534 5.964 110 HG3 ARG 15 1HG ARG 15 -3.813 -11.590 6.260 111 HD2 ARG 15 2HD ARG 15 -2.370 -13.366 7.069 112 HD3 ARG 15 1HD ARG 15 -0.920 -12.455 6.603 113 HE ARG 15 HE ARG 15 -1.214 -11.114 8.528 114 HH11 ARG 15 1HH2 ARG 15 -4.092 -12.831 7.697 115 HH12 ARG 15 2HH2 ARG 15 -4.953 -12.335 9.115 116 HH21 ARG 15 1HH1 ARG 15 -2.322 -10.469 10.387 117 HH22 ARG 15 2HH1 ARG 15 -3.953 -10.997 10.635 118 H LYS 16 H LYS 16 -1.226 -11.536 1.497 119 HA LYS 16 HA LYS 16 -0.799 -14.388 0.860 120 HB2 LYS 16 2HB LYS 16 -2.475 -13.080 -0.341 121 HB3 LYS 16 1HB LYS 16 -1.271 -11.870 -0.771 122 HG2 LYS 16 2HG LYS 16 -1.749 -13.418 -2.651 123 HG3 LYS 16 1HG LYS 16 -0.068 -13.512 -2.137 124 HD2 LYS 16 2HD LYS 16 -0.886 -15.456 -0.606 125 HD3 LYS 16 1HD LYS 16 -2.296 -15.483 -1.663 126 HE2 LYS 16 2HE LYS 16 0.552 -15.622 -2.703 127 HE3 LYS 16 1HE LYS 16 -0.447 -17.055 -2.387 128 HZ1 LYS 16 3HZ LYS 16 -0.526 -15.386 -4.624 129 HZ2 LYS 16 1HZ LYS 16 -1.977 -15.142 -3.780 130 HZ3 LYS 16 2HZ LYS 16 -1.536 -16.707 -4.275 131 H GLY 17 H GLY 17 1.256 -12.070 1.831 132 HA2 GLY 17 2HA GLY 17 3.602 -11.899 1.641 133 HA3 GLY 17 1HA GLY 17 3.560 -13.293 0.551 134 H PHE 18 H PHE 18 1.928 -10.150 0.300 135 HA PHE 18 HA PHE 18 3.125 -9.828 -2.424 136 HB2 PHE 18 2HB PHE 18 0.532 -9.791 -1.414 137 HB3 PHE 18 1HB PHE 18 0.924 -8.084 -1.611 138 HD1 PHE 18 1HD PHE 18 1.533 -11.279 -3.495 139 HD2 PHE 18 2HD PHE 18 0.337 -7.158 -3.635 140 HE1 PHE 18 1HE PHE 18 1.158 -11.474 -5.939 141 HE2 PHE 18 2HE PHE 18 -0.046 -7.353 -6.078 142 HZ PHE 18 HZ PHE 18 0.369 -9.509 -7.232 143 H CYS 19 H CYS 19 2.750 -8.313 0.727 144 HA CYS 19 HA CYS 19 3.681 -5.691 -0.144 145 HB2 CYS 19 2HB CYS 19 2.958 -7.087 2.408 146 HB3 CYS 19 1HB CYS 19 3.833 -5.557 2.501 147 H ASP 20 H ASP 20 5.228 -8.635 0.903 148 HA ASP 20 HA ASP 20 7.799 -7.139 1.294 149 HB2 ASP 20 2HB ASP 20 6.467 -9.468 2.552 150 HB3 ASP 20 1HB ASP 20 8.210 -9.638 2.308 151 H VAL 21 H VAL 21 6.219 -9.769 -0.451 152 HA VAL 21 HA VAL 21 8.765 -10.533 -1.765 153 HB VAL 21 HB VAL 21 6.189 -11.709 -1.120 154 HG11 VAL 21 1HG1 VAL 21 6.216 -13.149 -3.299 155 HG12 VAL 21 2HG1 VAL 21 7.039 -11.759 -4.008 156 HG13 VAL 21 3HG1 VAL 21 5.422 -11.576 -3.328 157 HG21 VAL 21 3HG2 VAL 21 8.977 -12.509 -1.705 158 HG22 VAL 21 1HG2 VAL 21 7.757 -13.739 -2.032 159 HG23 VAL 21 2HG2 VAL 21 7.898 -13.043 -0.417 160 H ARG 22 H ARG 22 5.544 -9.255 -2.643 161 HA ARG 22 HA ARG 22 6.501 -8.649 -5.388 162 HB2 ARG 22 2HB ARG 22 3.856 -8.684 -3.934 163 HB3 ARG 22 1HB ARG 22 4.004 -7.963 -5.537 164 HG2 ARG 22 2HG ARG 22 4.927 -10.774 -4.906 165 HG3 ARG 22 1HG ARG 22 3.320 -10.407 -5.530 166 HD2 ARG 22 2HD ARG 22 5.878 -9.532 -6.912 167 HD3 ARG 22 1HD ARG 22 4.989 -11.010 -7.330 168 HE ARG 22 HE ARG 22 3.020 -9.085 -7.330 169 HH11 ARG 22 1HH2 ARG 22 6.140 -9.382 -8.781 170 HH12 ARG 22 2HH2 ARG 22 5.720 -8.450 -10.179 171 HH21 ARG 22 1HH1 ARG 22 2.463 -7.866 -9.144 172 HH22 ARG 22 2HH1 ARG 22 3.642 -7.590 -10.382 173 H GLN 23 H GLN 23 6.653 -7.138 -2.461 174 HA GLN 23 HA GLN 23 5.806 -4.673 -2.170 175 HB2 GLN 23 2HB GLN 23 8.364 -3.952 -2.066 176 HB3 GLN 23 1HB GLN 23 7.702 -5.121 -0.921 177 HG2 GLN 23 2HG GLN 23 8.967 -6.807 -1.752 178 HG3 GLN 23 1HG GLN 23 8.621 -6.356 -3.423 179 HE21 GLN 23 1HE2 GLN 23 11.277 -7.040 -2.144 180 HE22 GLN 23 2HE2 GLN 23 12.269 -5.696 -2.445 181 H ARG 24 H ARG 24 8.119 -5.266 -4.857 182 HA ARG 24 HA ARG 24 8.308 -2.717 -5.950 183 HB2 ARG 24 2HB ARG 24 8.069 -5.462 -7.196 184 HB3 ARG 24 1HB ARG 24 8.465 -4.032 -8.151 185 HG2 ARG 24 2HG ARG 24 10.446 -3.618 -6.821 186 HG3 ARG 24 1HG ARG 24 10.011 -4.904 -5.695 187 HD2 ARG 24 2HD ARG 24 10.271 -5.602 -8.601 188 HD3 ARG 24 1HD ARG 24 11.749 -5.387 -7.641 189 HE ARG 24 HE ARG 24 9.797 -7.536 -7.303 190 HH11 ARG 24 1HH2 ARG 24 12.184 -5.527 -5.820 191 HH12 ARG 24 2HH2 ARG 24 12.543 -6.664 -4.565 192 HH21 ARG 24 1HH1 ARG 24 10.254 -9.019 -5.671 193 HH22 ARG 24 2HH1 ARG 24 11.452 -8.639 -4.479 194 H LEU 25 H LEU 25 5.518 -4.889 -6.107 195 HA LEU 25 HA LEU 25 4.124 -3.041 -7.975 196 HB2 LEU 25 2HB LEU 25 4.096 -5.407 -8.502 197 HB3 LEU 25 1HB LEU 25 3.517 -5.802 -6.882 198 HG LEU 25 HG LEU 25 1.748 -3.852 -7.972 199 HD11 LEU 25 1HD1 LEU 25 2.784 -5.806 -9.927 200 HD12 LEU 25 2HD1 LEU 25 1.938 -4.282 -10.198 201 HD13 LEU 25 3HD1 LEU 25 1.024 -5.742 -9.817 202 HD21 LEU 25 3HD2 LEU 25 0.510 -5.231 -6.680 203 HD22 LEU 25 1HD2 LEU 25 1.718 -6.512 -6.787 204 HD23 LEU 25 2HD2 LEU 25 0.489 -6.350 -8.042 205 H MET 26 H MET 26 3.909 -4.252 -4.640 206 HA MET 26 HA MET 26 1.289 -3.067 -4.142 207 HB2 MET 26 2HB MET 26 3.466 -4.448 -2.624 208 HB3 MET 26 1HB MET 26 2.241 -3.569 -1.709 209 HG2 MET 26 2HG MET 26 1.587 -5.629 -3.832 210 HG3 MET 26 1HG MET 26 1.680 -5.994 -2.110 211 HE1 MET 26 3HE MET 26 -1.395 -4.923 -0.552 212 HE2 MET 26 1HE MET 26 0.221 -4.254 -0.290 213 HE3 MET 26 2HE MET 26 0.020 -5.968 -0.647 214 H LYS 27 H LYS 27 3.158 -1.078 -5.180 215 HA LYS 27 HA LYS 27 3.635 0.605 -2.755 216 HB2 LYS 27 2HB LYS 27 5.577 -0.070 -4.154 217 HB3 LYS 27 1HB LYS 27 4.832 0.729 -5.539 218 HG2 LYS 27 2HG LYS 27 5.637 2.719 -4.869 219 HG3 LYS 27 1HG LYS 27 4.856 2.536 -3.298 220 HD2 LYS 27 2HD LYS 27 6.957 0.799 -3.051 221 HD3 LYS 27 1HD LYS 27 7.664 2.055 -4.069 222 HE2 LYS 27 2HE LYS 27 6.715 3.748 -2.379 223 HE3 LYS 27 1HE LYS 27 6.457 2.355 -1.309 224 HZ1 LYS 27 3HZ LYS 27 8.774 1.735 -1.623 225 HZ2 LYS 27 1HZ LYS 27 8.662 3.296 -0.973 226 HZ3 LYS 27 2HZ LYS 27 9.024 3.086 -2.619 227 H ARG 28 H ARG 28 2.411 0.737 -6.118 228 HA ARG 28 HA ARG 28 1.328 3.461 -5.594 229 HB2 ARG 28 2HB ARG 28 1.419 1.835 -8.142 230 HB3 ARG 28 1HB ARG 28 1.193 3.574 -7.995 231 HG2 ARG 28 2HG ARG 28 3.639 2.509 -6.708 232 HG3 ARG 28 1HG ARG 28 3.604 2.405 -8.467 233 HD2 ARG 28 2HD ARG 28 2.718 4.930 -8.207 234 HD3 ARG 28 1HD ARG 28 3.683 4.817 -6.721 235 HE ARG 28 HE ARG 28 5.009 3.728 -9.100 236 HH11 ARG 28 1HH2 ARG 28 4.418 6.469 -7.078 237 HH12 ARG 28 2HH2 ARG 28 5.870 7.286 -7.548 238 HH21 ARG 28 1HH1 ARG 28 6.899 4.789 -9.718 239 HH22 ARG 28 2HH1 ARG 28 7.272 6.337 -9.037 240 H LEU 29 H LEU 29 0.184 0.184 -5.875 241 HA LEU 29 HA LEU 29 -2.582 1.192 -6.404 242 HB2 LEU 29 2HB LEU 29 -2.930 -1.347 -6.804 243 HB3 LEU 29 1HB LEU 29 -1.976 -0.439 -7.979 244 HG LEU 29 HG LEU 29 -0.453 -1.560 -5.700 245 HD11 LEU 29 1HD1 LEU 29 -0.824 -3.767 -6.078 246 HD12 LEU 29 2HD1 LEU 29 -0.906 -3.542 -7.826 247 HD13 LEU 29 3HD1 LEU 29 -2.329 -3.235 -6.828 248 HD21 LEU 29 3HD2 LEU 29 0.701 -2.308 -8.098 249 HD22 LEU 29 1HD2 LEU 29 1.064 -0.823 -7.220 250 HD23 LEU 29 2HD2 LEU 29 -0.123 -0.808 -8.524 251 H CYS 30 H CYS 30 -0.685 -0.379 -3.881 252 HA CYS 30 HA CYS 30 -3.099 -0.278 -2.145 253 HB2 CYS 30 2HB CYS 30 -1.725 -2.689 -3.201 254 HB3 CYS 30 1HB CYS 30 -2.207 -2.748 -1.504 255 HA PRO 31 HA PRO 31 1.061 0.412 -0.059 256 HB2 PRO 31 2HB PRO 31 1.123 3.141 0.021 257 HB3 PRO 31 1HB PRO 31 1.798 2.203 -1.327 258 HG2 PRO 31 2HG PRO 31 -0.727 3.734 -1.169 259 HG3 PRO 31 1HG PRO 31 0.331 3.429 -2.557 260 HD2 PRO 31 2HD PRO 31 -2.071 2.118 -2.019 261 HD3 PRO 31 1HD PRO 31 -0.810 1.566 -3.144 262 H ARG 32 H ARG 32 -2.205 1.223 0.331 263 HA ARG 32 HA ARG 32 -2.064 2.618 2.885 264 HB2 ARG 32 2HB ARG 32 -3.899 2.266 0.904 265 HB3 ARG 32 1HB ARG 32 -4.492 1.112 2.099 266 HG2 ARG 32 2HG ARG 32 -5.501 2.890 3.073 267 HG3 ARG 32 1HG ARG 32 -3.889 3.322 3.644 268 HD2 ARG 32 2HD ARG 32 -4.397 5.292 2.537 269 HD3 ARG 32 1HD ARG 32 -3.772 4.378 1.149 270 HE ARG 32 HE ARG 32 -5.991 4.161 0.352 271 HH11 ARG 32 1HH2 ARG 32 -5.887 5.126 3.668 272 HH12 ARG 32 2HH2 ARG 32 -7.591 5.412 3.772 273 HH21 ARG 32 1HH1 ARG 32 -8.213 4.536 0.477 274 HH22 ARG 32 2HH1 ARG 32 -8.906 5.078 1.968 275 H SER 33 H SER 33 -2.890 -0.733 1.930 276 HA SER 33 HA SER 33 -3.399 -1.703 4.571 277 HB2 SER 33 2HB SER 33 -2.820 -2.780 1.860 278 HB3 SER 33 1HB SER 33 -2.633 -3.897 3.212 279 HG SER 33 HG SER 33 -4.908 -2.255 3.051 280 H CYS 34 H CYS 34 -0.385 -1.058 2.916 281 HA CYS 34 HA CYS 34 1.060 -2.421 5.166 282 HB2 CYS 34 2HB CYS 34 1.490 -2.314 2.195 283 HB3 CYS 34 1HB CYS 34 2.846 -2.652 3.275 284 H ASP 35 H ASP 35 0.361 0.549 3.807 285 HA ASP 35 HA ASP 35 1.279 2.693 4.173 286 HB2 ASP 35 2HB ASP 35 1.901 0.981 6.357 287 HB3 ASP 35 1HB ASP 35 3.338 1.959 6.040 288 H PHE 36 H PHE 36 2.440 1.131 1.984 289 HA PHE 36 HA PHE 36 5.258 1.000 1.889 290 HB2 PHE 36 2HB PHE 36 3.086 1.684 -0.091 291 HB3 PHE 36 1HB PHE 36 4.784 1.778 -0.577 292 HD1 PHE 36 2HD PHE 36 2.472 -0.578 1.233 293 HD2 PHE 36 1HD PHE 36 5.796 -0.095 -1.443 294 HE1 PHE 36 2HE PHE 36 2.564 -3.034 0.894 295 HE2 PHE 36 1HE PHE 36 5.885 -2.548 -1.778 296 HZ PHE 36 HZ PHE 36 4.269 -4.015 -0.610 297 H CYS 37 H CYS 37 3.143 3.825 1.817 298 HA CYS 37 HA CYS 37 5.353 5.666 1.161 299 HB2 CYS 37 2HB CYS 37 2.552 5.599 0.951 300 HB3 CYS 37 1HB CYS 37 2.887 6.843 2.161 301 HXT CYS 37 2H CYS 37 4.454 5.533 5.168 Start of MODEL 12 1 H1 TYR 1 H TYR 1 -0.284 14.009 -0.284 2 HA TYR 1 HA TYR 1 0.642 12.816 1.549 3 HB2 TYR 1 2HB TYR 1 -2.005 11.485 1.050 4 HB3 TYR 1 1HB TYR 1 -0.870 10.738 2.173 5 HD1 TYR 1 2HD TYR 1 -1.349 14.377 1.506 6 HD2 TYR 1 1HD TYR 1 -1.882 11.143 4.282 7 HE1 TYR 1 2HE TYR 1 -2.010 15.996 3.267 8 HE2 TYR 1 1HE TYR 1 -2.542 12.761 6.041 9 HH TYR 1 HH TYR 1 -2.444 16.263 5.448 10 H GLY 2 H GLY 2 -0.535 10.935 -1.231 11 HA2 GLY 2 2HA GLY 2 0.894 9.603 -2.632 12 HA3 GLY 2 1HA GLY 2 2.096 9.578 -1.341 13 H CYS 3 H CYS 3 -0.112 8.901 0.631 14 HA CYS 3 HA CYS 3 0.074 5.985 0.292 15 HB2 CYS 3 2HB CYS 3 -1.225 7.727 2.413 16 HB3 CYS 3 1HB CYS 3 -0.875 6.005 2.565 17 H LEU 4 H LEU 4 -1.327 5.762 -1.607 18 HA LEU 4 HA LEU 4 -4.183 5.590 -0.845 19 HB2 LEU 4 2HB LEU 4 -4.801 7.382 -2.084 20 HB3 LEU 4 1HB LEU 4 -3.095 7.780 -2.226 21 HG LEU 4 HG LEU 4 -3.086 6.146 -4.237 22 HD11 LEU 4 1HD1 LEU 4 -5.114 5.502 -5.177 23 HD12 LEU 4 2HD1 LEU 4 -6.001 6.824 -4.418 24 HD13 LEU 4 3HD1 LEU 4 -5.512 5.425 -3.460 25 HD21 LEU 4 3HD2 LEU 4 -2.810 8.338 -4.912 26 HD22 LEU 4 1HD2 LEU 4 -4.249 8.890 -4.053 27 HD23 LEU 4 2HD2 LEU 4 -4.409 8.045 -5.592 28 H ASP 5 H ASP 5 -5.032 3.726 -1.643 29 HA ASP 5 HA ASP 5 -3.370 2.038 -3.402 30 HB2 ASP 5 2HB ASP 5 -5.101 0.361 -2.788 31 HB3 ASP 5 1HB ASP 5 -4.429 1.160 -1.364 32 H ARG 6 H ARG 6 -4.698 0.750 -5.127 33 HA ARG 6 HA ARG 6 -6.522 2.663 -6.558 34 HB2 ARG 6 2HB ARG 6 -4.312 0.857 -7.587 35 HB3 ARG 6 1HB ARG 6 -5.435 1.724 -8.636 36 HG2 ARG 6 2HG ARG 6 -4.599 3.726 -6.958 37 HG3 ARG 6 1HG ARG 6 -3.140 2.748 -7.094 38 HD2 ARG 6 2HD ARG 6 -2.943 4.210 -8.928 39 HD3 ARG 6 1HD ARG 6 -3.692 2.784 -9.675 40 HE ARG 6 HE ARG 6 -5.897 4.122 -8.877 41 HH11 ARG 6 1HH2 ARG 6 -3.003 5.219 -10.434 42 HH12 ARG 6 2HH2 ARG 6 -3.784 6.549 -11.217 43 HH21 ARG 6 1HH1 ARG 6 -6.913 5.846 -9.910 44 HH22 ARG 6 2HH1 ARG 6 -5.990 6.900 -10.928 45 H ILE 7 H ILE 7 -6.675 -0.032 -4.852 46 HA ILE 7 HA ILE 7 -8.890 -1.142 -6.470 47 HB ILE 7 HB ILE 7 -7.790 -3.453 -6.164 48 HG12 ILE 7 2HG1 ILE 7 -5.395 -1.651 -5.677 49 HG13 ILE 7 1HG1 ILE 7 -6.109 -2.757 -4.504 50 HG21 ILE 7 1HG2 ILE 7 -6.479 -3.196 -8.191 51 HG22 ILE 7 2HG2 ILE 7 -6.337 -1.459 -7.925 52 HG23 ILE 7 3HG2 ILE 7 -7.905 -2.165 -8.318 53 HD11 ILE 7 3HD1 ILE 7 -5.458 -4.019 -7.071 54 HD12 ILE 7 1HD1 ILE 7 -5.137 -4.564 -5.426 55 HD13 ILE 7 2HD1 ILE 7 -4.053 -3.406 -6.196 56 H PHE 8 H PHE 8 -9.239 -3.501 -4.938 57 HA PHE 8 HA PHE 8 -9.513 -2.443 -2.147 58 HB2 PHE 8 2HB PHE 8 -11.753 -3.674 -2.194 59 HB3 PHE 8 1HB PHE 8 -11.655 -2.227 -3.201 60 HD1 PHE 8 1HD PHE 8 -11.114 -2.510 -5.689 61 HD2 PHE 8 2HD PHE 8 -12.225 -5.787 -3.142 62 HE1 PHE 8 1HE PHE 8 -11.694 -3.866 -7.685 63 HE2 PHE 8 2HE PHE 8 -12.801 -7.142 -5.138 64 HZ PHE 8 HZ PHE 8 -12.536 -6.182 -7.407 65 H VAL 9 H VAL 9 -7.389 -4.107 -2.914 66 HA VAL 9 HA VAL 9 -8.053 -6.566 -1.373 67 HB VAL 9 HB VAL 9 -7.009 -7.949 -3.120 68 HG11 VAL 9 1HG1 VAL 9 -8.715 -7.640 -4.888 69 HG12 VAL 9 2HG1 VAL 9 -9.118 -6.061 -4.211 70 HG13 VAL 9 3HG1 VAL 9 -9.426 -7.525 -3.278 71 HG21 VAL 9 3HG2 VAL 9 -6.667 -5.281 -4.513 72 HG22 VAL 9 1HG2 VAL 9 -6.487 -6.835 -5.325 73 HG23 VAL 9 2HG2 VAL 9 -5.392 -6.394 -4.014 74 H CYS 10 H CYS 10 -6.510 -4.154 -0.733 75 HA CYS 10 HA CYS 10 -3.665 -4.785 -0.972 76 HB2 CYS 10 2HB CYS 10 -4.928 -2.903 1.024 77 HB3 CYS 10 1HB CYS 10 -3.381 -2.741 0.194 78 H THR 11 H THR 11 -6.043 -4.766 1.694 79 HA THR 11 HA THR 11 -4.386 -5.763 3.761 80 HB THR 11 HB THR 11 -7.336 -6.132 3.149 81 HG1 THR 11 1HG THR 11 -7.561 -4.325 4.394 82 HG21 THR 11 3HG2 THR 11 -7.521 -6.494 5.629 83 HG22 THR 11 1HG2 THR 11 -5.762 -6.599 5.694 84 HG23 THR 11 2HG2 THR 11 -6.684 -7.794 4.781 85 H SER 12 H SER 12 -6.702 -7.669 1.775 86 HA SER 12 HA SER 12 -6.002 -10.241 2.621 87 HB2 SER 12 2HB SER 12 -7.336 -8.946 0.414 88 HB3 SER 12 1HB SER 12 -6.407 -10.317 -0.188 89 HG SER 12 HG SER 12 -7.412 -11.475 1.660 90 H TRP 13 H TRP 13 -4.400 -8.222 0.170 91 HA TRP 13 HA TRP 13 -2.507 -10.151 -0.761 92 HB2 TRP 13 2HB TRP 13 -2.770 -7.160 -0.655 93 HB3 TRP 13 1HB TRP 13 -1.251 -7.863 -1.213 94 HD1 TRP 13 HD TRP 13 -3.576 -10.346 -2.230 95 HE1 TRP 13 1HE TRP 13 -4.406 -10.011 -4.644 96 HE3 TRP 13 3HE TRP 13 -2.152 -5.499 -2.995 97 HZ2 TRP 13 2HZ TRP 13 -4.463 -7.963 -6.637 98 HZ3 TRP 13 3HZ TRP 13 -2.611 -4.383 -5.159 99 HH2 TRP 13 HH TRP 13 -3.767 -5.603 -6.974 100 H ALA 14 H ALA 14 -2.254 -7.676 1.809 101 HA ALA 14 HA ALA 14 0.442 -8.203 2.566 102 HB1 ALA 14 1HB ALA 14 -1.719 -7.399 4.499 103 HB2 ALA 14 2HB ALA 14 -1.298 -6.331 3.160 104 HB3 ALA 14 3HB ALA 14 -0.076 -6.772 4.352 105 H ARG 15 H ARG 15 -2.547 -9.894 3.320 106 HA ARG 15 HA ARG 15 -1.539 -11.350 5.617 107 HB2 ARG 15 2HB ARG 15 -3.959 -10.922 4.279 108 HB3 ARG 15 1HB ARG 15 -3.648 -12.647 4.071 109 HG2 ARG 15 2HG ARG 15 -2.972 -11.993 6.755 110 HG3 ARG 15 1HG ARG 15 -4.547 -11.271 6.425 111 HD2 ARG 15 2HD ARG 15 -5.567 -13.303 6.364 112 HD3 ARG 15 1HD ARG 15 -4.286 -13.997 5.347 113 HE ARG 15 HE ARG 15 -3.059 -13.645 7.807 114 HH11 ARG 15 1HH2 ARG 15 -5.920 -15.202 6.657 115 HH12 ARG 15 2HH2 ARG 15 -5.911 -16.414 7.893 116 HH21 ARG 15 1HH1 ARG 15 -3.035 -15.221 9.421 117 HH22 ARG 15 2HH1 ARG 15 -4.282 -16.424 9.460 118 H LYS 16 H LYS 16 -0.747 -11.532 2.346 119 HA LYS 16 HA LYS 16 0.021 -14.423 2.591 120 HB2 LYS 16 2HB LYS 16 -1.098 -12.704 0.426 121 HB3 LYS 16 1HB LYS 16 0.063 -13.939 -0.065 122 HG2 LYS 16 2HG LYS 16 -1.265 -15.688 0.935 123 HG3 LYS 16 1HG LYS 16 -2.347 -14.510 1.680 124 HD2 LYS 16 2HD LYS 16 -3.166 -13.798 -0.485 125 HD3 LYS 16 1HD LYS 16 -1.967 -14.792 -1.313 126 HE2 LYS 16 2HE LYS 16 -3.188 -16.708 -1.029 127 HE3 LYS 16 1HE LYS 16 -3.689 -16.252 0.611 128 HZ1 LYS 16 3HZ LYS 16 -4.854 -15.464 -1.969 129 HZ2 LYS 16 1HZ LYS 16 -4.948 -14.382 -0.666 130 HZ3 LYS 16 2HZ LYS 16 -5.635 -15.930 -0.534 131 H GLY 17 H GLY 17 1.134 -11.172 2.127 132 HA2 GLY 17 2HA GLY 17 3.546 -10.757 2.561 133 HA3 GLY 17 1HA GLY 17 3.893 -12.227 1.642 134 H PHE 18 H PHE 18 1.371 -10.598 0.165 135 HA PHE 18 HA PHE 18 2.635 -10.074 -2.271 136 HB2 PHE 18 2HB PHE 18 0.151 -9.885 -1.286 137 HB3 PHE 18 1HB PHE 18 0.566 -8.172 -1.281 138 HD1 PHE 18 1HD PHE 18 0.936 -11.160 -3.526 139 HD2 PHE 18 2HD PHE 18 0.097 -6.958 -3.211 140 HE1 PHE 18 1HE PHE 18 0.525 -11.059 -5.968 141 HE2 PHE 18 2HE PHE 18 -0.315 -6.858 -5.655 142 HZ PHE 18 HZ PHE 18 -0.102 -8.908 -7.034 143 H CYS 19 H CYS 19 2.236 -7.812 0.481 144 HA CYS 19 HA CYS 19 3.714 -5.684 -0.872 145 HB2 CYS 19 2HB CYS 19 2.989 -4.429 0.906 146 HB3 CYS 19 1HB CYS 19 1.831 -5.746 1.025 147 H ASP 20 H ASP 20 4.785 -8.547 0.218 148 HA ASP 20 HA ASP 20 7.390 -7.419 1.185 149 HB2 ASP 20 2HB ASP 20 5.556 -9.091 2.486 150 HB3 ASP 20 1HB ASP 20 6.821 -10.188 1.922 151 H VAL 21 H VAL 21 5.706 -9.793 -0.805 152 HA VAL 21 HA VAL 21 8.248 -10.875 -1.898 153 HB VAL 21 HB VAL 21 5.360 -11.517 -2.572 154 HG11 VAL 21 1HG1 VAL 21 6.348 -13.725 -3.174 155 HG12 VAL 21 2HG1 VAL 21 7.950 -13.077 -2.825 156 HG13 VAL 21 3HG1 VAL 21 6.997 -12.408 -4.151 157 HG21 VAL 21 3HG2 VAL 21 5.149 -12.345 -0.489 158 HG22 VAL 21 1HG2 VAL 21 6.822 -11.939 -0.114 159 HG23 VAL 21 2HG2 VAL 21 6.439 -13.488 -0.863 160 H ARG 22 H ARG 22 5.171 -9.643 -3.258 161 HA ARG 22 HA ARG 22 6.589 -8.784 -5.721 162 HB2 ARG 22 2HB ARG 22 3.696 -8.981 -4.835 163 HB3 ARG 22 1HB ARG 22 4.173 -8.336 -6.407 164 HG2 ARG 22 2HG ARG 22 5.277 -10.987 -5.560 165 HG3 ARG 22 1HG ARG 22 3.608 -10.910 -6.128 166 HD2 ARG 22 2HD ARG 22 4.271 -10.044 -8.262 167 HD3 ARG 22 1HD ARG 22 5.917 -9.711 -7.688 168 HE ARG 22 HE ARG 22 5.542 -12.434 -7.221 169 HH11 ARG 22 1HH2 ARG 22 5.359 -10.280 -9.916 170 HH12 ARG 22 2HH2 ARG 22 5.850 -11.474 -11.069 171 HH21 ARG 22 1HH1 ARG 22 6.184 -14.001 -8.720 172 HH22 ARG 22 2HH1 ARG 22 6.318 -13.576 -10.394 173 H GLN 23 H GLN 23 6.084 -7.500 -2.750 174 HA GLN 23 HA GLN 23 4.988 -5.145 -2.437 175 HB2 GLN 23 2HB GLN 23 7.171 -4.307 -1.493 176 HB3 GLN 23 1HB GLN 23 6.741 -5.947 -1.003 177 HG2 GLN 23 2HG GLN 23 8.813 -6.514 -1.705 178 HG3 GLN 23 1HG GLN 23 8.148 -6.385 -3.332 179 HE21 GLN 23 1HE2 GLN 23 10.927 -5.702 -2.290 180 HE22 GLN 23 2HE2 GLN 23 11.175 -4.087 -2.752 181 H ARG 24 H ARG 24 7.676 -5.407 -4.823 182 HA ARG 24 HA ARG 24 7.824 -2.660 -5.494 183 HB2 ARG 24 2HB ARG 24 9.070 -3.425 -7.350 184 HB3 ARG 24 1HB ARG 24 9.268 -4.701 -6.156 185 HG2 ARG 24 2HG ARG 24 8.130 -6.221 -7.411 186 HG3 ARG 24 1HG ARG 24 6.933 -5.044 -7.946 187 HD2 ARG 24 2HD ARG 24 8.038 -4.742 -9.903 188 HD3 ARG 24 1HD ARG 24 9.535 -4.378 -9.032 189 HE ARG 24 HE ARG 24 10.124 -6.703 -9.093 190 HH11 ARG 24 1HH2 ARG 24 6.981 -6.064 -10.416 191 HH12 ARG 24 2HH2 ARG 24 6.888 -7.584 -11.230 192 HH21 ARG 24 1HH1 ARG 24 9.987 -8.677 -10.149 193 HH22 ARG 24 2HH1 ARG 24 8.575 -9.061 -11.078 194 H LEU 25 H LEU 25 5.255 -4.863 -6.033 195 HA LEU 25 HA LEU 25 4.124 -3.285 -8.282 196 HB2 LEU 25 2HB LEU 25 4.151 -5.703 -8.484 197 HB3 LEU 25 1HB LEU 25 3.396 -5.886 -6.900 198 HG LEU 25 HG LEU 25 1.658 -4.195 -8.265 199 HD11 LEU 25 1HD1 LEU 25 1.881 -6.451 -10.148 200 HD12 LEU 25 2HD1 LEU 25 3.221 -5.308 -10.235 201 HD13 LEU 25 3HD1 LEU 25 1.565 -4.745 -10.469 202 HD21 LEU 25 3HD2 LEU 25 0.274 -6.355 -8.410 203 HD22 LEU 25 1HD2 LEU 25 0.865 -5.910 -6.810 204 HD23 LEU 25 2HD2 LEU 25 1.680 -7.173 -7.731 205 H MET 26 H MET 26 3.162 -4.457 -5.023 206 HA MET 26 HA MET 26 0.687 -3.047 -4.842 207 HB2 MET 26 2HB MET 26 1.735 -4.892 -3.376 208 HB3 MET 26 1HB MET 26 2.595 -3.586 -2.559 209 HG2 MET 26 2HG MET 26 0.246 -2.480 -2.355 210 HG3 MET 26 1HG MET 26 -0.369 -4.101 -2.677 211 HE1 MET 26 3HE MET 26 -0.820 -5.540 0.336 212 HE2 MET 26 1HE MET 26 0.453 -6.364 -0.576 213 HE3 MET 26 2HE MET 26 -0.850 -5.536 -1.426 214 H LYS 27 H LYS 27 3.913 -1.876 -4.858 215 HA LYS 27 HA LYS 27 3.978 0.319 -3.156 216 HB2 LYS 27 2HB LYS 27 5.484 -0.687 -5.191 217 HB3 LYS 27 1HB LYS 27 4.868 0.780 -5.952 218 HG2 LYS 27 2HG LYS 27 5.991 2.173 -4.506 219 HG3 LYS 27 1HG LYS 27 5.895 1.030 -3.165 220 HD2 LYS 27 2HD LYS 27 7.592 -0.395 -4.262 221 HD3 LYS 27 1HD LYS 27 7.705 0.766 -5.584 222 HE2 LYS 27 2HE LYS 27 8.203 2.506 -3.680 223 HE3 LYS 27 1HE LYS 27 8.619 1.065 -2.730 224 HZ1 LYS 27 3HZ LYS 27 9.603 1.107 -5.460 225 HZ2 LYS 27 1HZ LYS 27 10.370 0.583 -4.041 226 HZ3 LYS 27 2HZ LYS 27 10.319 2.240 -4.417 227 H ARG 28 H ARG 28 2.756 0.415 -6.532 228 HA ARG 28 HA ARG 28 1.334 2.958 -5.915 229 HB2 ARG 28 2HB ARG 28 1.941 1.416 -8.458 230 HB3 ARG 28 1HB ARG 28 1.088 2.958 -8.420 231 HG2 ARG 28 2HG ARG 28 3.050 3.994 -7.304 232 HG3 ARG 28 1HG ARG 28 3.904 2.455 -7.412 233 HD2 ARG 28 2HD ARG 28 4.442 2.809 -9.592 234 HD3 ARG 28 1HD ARG 28 2.784 3.298 -9.992 235 HE ARG 28 HE ARG 28 4.039 5.329 -8.391 236 HH11 ARG 28 1HH2 ARG 28 4.004 3.914 -11.544 237 HH12 ARG 28 2HH2 ARG 28 4.507 5.367 -12.340 238 HH21 ARG 28 1HH1 ARG 28 4.694 7.228 -9.426 239 HH22 ARG 28 2HH1 ARG 28 4.893 7.239 -11.146 240 H LEU 29 H LEU 29 0.725 -0.400 -6.149 241 HA LEU 29 HA LEU 29 -2.060 -0.161 -7.068 242 HB2 LEU 29 2HB LEU 29 -0.029 -2.224 -6.522 243 HB3 LEU 29 1HB LEU 29 -1.667 -2.711 -6.076 244 HG LEU 29 HG LEU 29 -0.714 -1.753 -8.788 245 HD11 LEU 29 1HD1 LEU 29 -1.708 -4.003 -9.434 246 HD12 LEU 29 2HD1 LEU 29 -1.841 -4.349 -7.708 247 HD13 LEU 29 3HD1 LEU 29 -0.256 -4.086 -8.437 248 HD21 LEU 29 3HD2 LEU 29 -3.367 -2.613 -8.983 249 HD22 LEU 29 1HD2 LEU 29 -2.806 -0.943 -9.067 250 HD23 LEU 29 2HD2 LEU 29 -3.341 -1.617 -7.527 251 H CYS 30 H CYS 30 -0.351 -0.831 -4.004 252 HA CYS 30 HA CYS 30 -2.768 -0.020 -2.490 253 HB2 CYS 30 2HB CYS 30 -1.742 -2.784 -2.894 254 HB3 CYS 30 1HB CYS 30 -2.293 -2.383 -1.270 255 HA PRO 31 HA PRO 31 1.301 0.794 -0.412 256 HB2 PRO 31 2HB PRO 31 1.146 3.518 -0.379 257 HB3 PRO 31 1HB PRO 31 1.824 2.609 -1.746 258 HG2 PRO 31 2HG PRO 31 -0.790 3.957 -1.483 259 HG3 PRO 31 1HG PRO 31 0.195 3.667 -2.925 260 HD2 PRO 31 2HD PRO 31 -2.073 2.224 -2.140 261 HD3 PRO 31 1HD PRO 31 -0.897 1.740 -3.383 262 H ARG 32 H ARG 32 -1.991 1.333 0.174 263 HA ARG 32 HA ARG 32 -1.771 2.768 2.710 264 HB2 ARG 32 2HB ARG 32 -3.960 1.224 1.295 265 HB3 ARG 32 1HB ARG 32 -4.216 2.106 2.802 266 HG2 ARG 32 2HG ARG 32 -2.830 3.708 0.790 267 HG3 ARG 32 1HG ARG 32 -4.424 3.177 0.253 268 HD2 ARG 32 2HD ARG 32 -4.203 4.228 3.045 269 HD3 ARG 32 1HD ARG 32 -4.145 5.400 1.713 270 HE ARG 32 HE ARG 32 -6.250 3.500 1.249 271 HH11 ARG 32 1HH2 ARG 32 -5.334 6.217 3.174 272 HH12 ARG 32 2HH2 ARG 32 -6.963 6.742 3.437 273 HH21 ARG 32 1HH1 ARG 32 -8.377 4.180 1.581 274 HH22 ARG 32 2HH1 ARG 32 -8.682 5.591 2.540 275 H SER 33 H SER 33 -1.800 -0.592 1.695 276 HA SER 33 HA SER 33 -2.403 -1.677 4.338 277 HB2 SER 33 2HB SER 33 -1.786 -2.594 1.596 278 HB3 SER 33 1HB SER 33 -1.272 -3.697 2.874 279 HG SER 33 HG SER 33 -3.439 -3.475 3.719 280 H CYS 34 H CYS 34 0.545 -2.050 2.327 281 HA CYS 34 HA CYS 34 2.152 -2.616 4.724 282 HB2 CYS 34 2HB CYS 34 2.134 -3.423 2.134 283 HB3 CYS 34 1HB CYS 34 3.401 -2.200 2.071 284 H ASP 35 H ASP 35 1.299 0.188 2.941 285 HA ASP 35 HA ASP 35 1.955 2.438 3.282 286 HB2 ASP 35 2HB ASP 35 2.382 1.290 5.636 287 HB3 ASP 35 1HB ASP 35 4.077 1.517 5.190 288 H PHE 36 H PHE 36 2.865 1.747 1.008 289 HA PHE 36 HA PHE 36 5.786 1.468 0.835 290 HB2 PHE 36 2HB PHE 36 3.446 1.724 -1.051 291 HB3 PHE 36 1HB PHE 36 5.101 1.857 -1.660 292 HD1 PHE 36 1HD PHE 36 2.662 -0.389 -0.021 293 HD2 PHE 36 2HD PHE 36 6.601 -0.033 -1.687 294 HE1 PHE 36 1HE PHE 36 2.893 -2.846 0.003 295 HE2 PHE 36 2HE PHE 36 6.830 -2.498 -1.666 296 HZ PHE 36 HZ PHE 36 4.974 -3.910 -0.822 297 H CYS 37 H CYS 37 3.944 4.009 1.727 298 HA CYS 37 HA CYS 37 4.737 6.167 0.024 299 HB2 CYS 37 2HB CYS 37 3.854 5.844 2.888 300 HB3 CYS 37 1HB CYS 37 4.305 7.438 2.270 301 HXT CYS 37 2H CYS 37 8.237 6.189 0.803 Start of MODEL 13 1 H1 TYR 1 H TYR 1 4.600 12.562 -4.983 2 HA TYR 1 HA TYR 1 4.769 11.724 -2.776 3 HB2 TYR 1 2HB TYR 1 4.326 13.372 -1.003 4 HB3 TYR 1 1HB TYR 1 5.193 14.141 -2.333 5 HD1 TYR 1 1HD TYR 1 3.709 15.235 -4.198 6 HD2 TYR 1 2HD TYR 1 2.325 14.325 -0.234 7 HE1 TYR 1 1HE TYR 1 1.864 16.869 -4.468 8 HE2 TYR 1 2HE TYR 1 0.480 15.962 -0.504 9 HH TYR 1 HH TYR 1 -0.805 16.954 -2.589 10 H GLY 2 H GLY 2 1.762 12.850 -4.093 11 HA2 GLY 2 2HA GLY 2 -0.013 11.854 -2.065 12 HA3 GLY 2 1HA GLY 2 -0.457 12.168 -3.743 13 H CYS 3 H CYS 3 0.211 9.737 -1.444 14 HA CYS 3 HA CYS 3 0.268 7.660 -3.610 15 HB2 CYS 3 2HB CYS 3 2.311 7.815 -2.238 16 HB3 CYS 3 1HB CYS 3 1.349 7.639 -0.771 17 H LEU 4 H LEU 4 -1.082 5.784 -3.248 18 HA LEU 4 HA LEU 4 -2.735 5.465 -0.891 19 HB2 LEU 4 2HB LEU 4 -4.854 6.217 -1.950 20 HB3 LEU 4 1HB LEU 4 -3.692 7.539 -1.823 21 HG LEU 4 HG LEU 4 -3.114 6.288 -4.271 22 HD11 LEU 4 1HD1 LEU 4 -5.361 5.182 -4.032 23 HD12 LEU 4 2HD1 LEU 4 -5.233 6.225 -5.448 24 HD13 LEU 4 3HD1 LEU 4 -6.094 6.786 -4.015 25 HD21 LEU 4 3HD2 LEU 4 -4.897 8.689 -4.167 26 HD22 LEU 4 1HD2 LEU 4 -3.425 8.427 -5.103 27 HD23 LEU 4 2HD2 LEU 4 -3.321 8.796 -3.381 28 H ASP 5 H ASP 5 -4.587 3.877 -1.409 29 HA ASP 5 HA ASP 5 -3.497 1.741 -3.132 30 HB2 ASP 5 2HB ASP 5 -5.015 0.370 -1.893 31 HB3 ASP 5 1HB ASP 5 -4.381 1.540 -0.735 32 H ARG 6 H ARG 6 -4.355 1.245 -5.128 33 HA ARG 6 HA ARG 6 -6.635 2.866 -6.115 34 HB2 ARG 6 2HB ARG 6 -4.318 1.371 -7.194 35 HB3 ARG 6 1HB ARG 6 -5.768 1.323 -8.197 36 HG2 ARG 6 2HG ARG 6 -5.865 3.714 -8.331 37 HG3 ARG 6 1HG ARG 6 -4.642 3.897 -7.072 38 HD2 ARG 6 2HD ARG 6 -3.293 4.180 -8.944 39 HD3 ARG 6 1HD ARG 6 -3.216 2.412 -8.815 40 HE ARG 6 HE ARG 6 -5.527 2.864 -10.275 41 HH11 ARG 6 1HH2 ARG 6 -2.211 3.803 -10.514 42 HH12 ARG 6 2HH2 ARG 6 -2.226 3.883 -12.244 43 HH21 ARG 6 1HH1 ARG 6 -5.555 2.965 -12.530 44 HH22 ARG 6 2HH1 ARG 6 -4.115 3.410 -13.383 45 H ILE 7 H ILE 7 -6.069 -0.230 -4.792 46 HA ILE 7 HA ILE 7 -8.664 -1.224 -5.940 47 HB ILE 7 HB ILE 7 -6.645 -3.159 -4.918 48 HG12 ILE 7 2HG1 ILE 7 -6.263 -1.867 -7.635 49 HG13 ILE 7 1HG1 ILE 7 -5.292 -1.448 -6.223 50 HG21 ILE 7 1HG2 ILE 7 -7.960 -3.295 -7.596 51 HG22 ILE 7 2HG2 ILE 7 -8.981 -3.444 -6.165 52 HG23 ILE 7 3HG2 ILE 7 -7.656 -4.579 -6.427 53 HD11 ILE 7 3HD1 ILE 7 -4.116 -3.383 -6.292 54 HD12 ILE 7 1HD1 ILE 7 -4.670 -3.463 -7.965 55 HD13 ILE 7 2HD1 ILE 7 -5.539 -4.341 -6.704 56 H PHE 8 H PHE 8 -8.679 -3.529 -4.198 57 HA PHE 8 HA PHE 8 -8.821 -2.283 -1.490 58 HB2 PHE 8 2HB PHE 8 -11.080 -2.749 -1.293 59 HB3 PHE 8 1HB PHE 8 -10.997 -2.509 -3.038 60 HD1 PHE 8 1HD PHE 8 -10.724 -4.550 -4.544 61 HD2 PHE 8 2HD PHE 8 -11.687 -4.846 -0.368 62 HE1 PHE 8 1HE PHE 8 -11.526 -6.873 -4.892 63 HE2 PHE 8 2HE PHE 8 -12.489 -7.166 -0.716 64 HZ PHE 8 HZ PHE 8 -12.409 -8.179 -2.977 65 H VAL 9 H VAL 9 -7.587 -4.735 -3.344 66 HA VAL 9 HA VAL 9 -7.844 -6.891 -1.335 67 HB VAL 9 HB VAL 9 -6.748 -8.208 -3.050 68 HG11 VAL 9 1HG1 VAL 9 -9.134 -7.527 -3.428 69 HG12 VAL 9 2HG1 VAL 9 -8.256 -7.855 -4.922 70 HG13 VAL 9 3HG1 VAL 9 -8.551 -6.190 -4.420 71 HG21 VAL 9 3HG2 VAL 9 -5.063 -6.337 -3.550 72 HG22 VAL 9 1HG2 VAL 9 -6.293 -5.660 -4.617 73 HG23 VAL 9 2HG2 VAL 9 -5.634 -7.263 -4.937 74 H CYS 10 H CYS 10 -6.275 -4.240 -0.962 75 HA CYS 10 HA CYS 10 -3.480 -4.707 -0.945 76 HB2 CYS 10 2HB CYS 10 -5.105 -3.171 1.109 77 HB3 CYS 10 1HB CYS 10 -3.432 -2.865 0.630 78 H THR 11 H THR 11 -5.944 -5.453 1.520 79 HA THR 11 HA THR 11 -4.030 -6.589 3.403 80 HB THR 11 HB THR 11 -7.049 -6.705 3.111 81 HG1 THR 11 1HG THR 11 -5.407 -5.226 4.882 82 HG21 THR 11 3HG2 THR 11 -7.155 -8.062 4.907 83 HG22 THR 11 1HG2 THR 11 -5.964 -7.102 5.784 84 HG23 THR 11 2HG2 THR 11 -5.434 -8.361 4.670 85 H SER 12 H SER 12 -6.489 -7.955 1.188 86 HA SER 12 HA SER 12 -6.064 -10.702 1.690 87 HB2 SER 12 2HB SER 12 -6.609 -9.385 -0.987 88 HB3 SER 12 1HB SER 12 -7.126 -10.987 -0.469 89 HG SER 12 HG SER 12 -8.316 -8.609 -0.097 90 H TRP 13 H TRP 13 -4.041 -8.377 0.103 91 HA TRP 13 HA TRP 13 -2.409 -10.398 -1.298 92 HB2 TRP 13 2HB TRP 13 -2.643 -7.427 -1.084 93 HB3 TRP 13 1HB TRP 13 -1.081 -8.080 -1.578 94 HD1 TRP 13 HD TRP 13 -2.971 -10.623 -2.991 95 HE1 TRP 13 1HE TRP 13 -3.759 -10.134 -5.393 96 HE3 TRP 13 3HE TRP 13 -2.358 -5.555 -3.105 97 HZ2 TRP 13 2HZ TRP 13 -4.089 -7.890 -7.136 98 HZ3 TRP 13 3HZ TRP 13 -2.916 -4.267 -5.147 99 HH2 TRP 13 HH TRP 13 -3.781 -5.425 -7.160 100 H ALA 14 H ALA 14 -1.933 -7.981 1.300 101 HA ALA 14 HA ALA 14 0.727 -8.709 1.997 102 HB1 ALA 14 1HB ALA 14 -0.739 -6.701 2.659 103 HB2 ALA 14 2HB ALA 14 0.296 -7.367 3.923 104 HB3 ALA 14 3HB ALA 14 -1.425 -7.754 3.896 105 H ARG 15 H ARG 15 -2.213 -10.436 2.439 106 HA ARG 15 HA ARG 15 -1.337 -11.932 4.815 107 HB2 ARG 15 2HB ARG 15 -3.720 -11.459 3.256 108 HB3 ARG 15 1HB ARG 15 -3.492 -13.195 3.474 109 HG2 ARG 15 2HG ARG 15 -3.097 -11.412 5.844 110 HG3 ARG 15 1HG ARG 15 -4.747 -11.744 5.315 111 HD2 ARG 15 2HD ARG 15 -4.337 -14.167 5.473 112 HD3 ARG 15 1HD ARG 15 -2.661 -13.857 5.971 113 HE ARG 15 HE ARG 15 -5.015 -13.528 7.656 114 HH11 ARG 15 1HH2 ARG 15 -1.827 -12.419 6.924 115 HH12 ARG 15 2HH2 ARG 15 -1.531 -11.819 8.521 116 HH21 ARG 15 1HH1 ARG 15 -4.637 -12.751 9.742 117 HH22 ARG 15 2HH1 ARG 15 -3.117 -12.009 10.115 118 H LYS 16 H LYS 16 -0.647 -12.063 1.501 119 HA LYS 16 HA LYS 16 0.036 -14.982 1.677 120 HB2 LYS 16 2HB LYS 16 -1.277 -13.262 -0.317 121 HB3 LYS 16 1HB LYS 16 -0.013 -14.286 -1.000 122 HG2 LYS 16 2HG LYS 16 -2.135 -15.382 0.853 123 HG3 LYS 16 1HG LYS 16 -2.370 -15.300 -0.894 124 HD2 LYS 16 2HD LYS 16 -0.247 -16.598 -1.187 125 HD3 LYS 16 1HD LYS 16 -0.165 -16.781 0.565 126 HE2 LYS 16 2HE LYS 16 -2.771 -17.522 -0.639 127 HE3 LYS 16 1HE LYS 16 -1.411 -18.584 -1.056 128 HZ1 LYS 16 3HZ LYS 16 -1.977 -19.446 0.969 129 HZ2 LYS 16 1HZ LYS 16 -2.546 -17.968 1.577 130 HZ3 LYS 16 2HZ LYS 16 -0.875 -18.255 1.474 131 H GLY 17 H GLY 17 1.404 -11.995 1.882 132 HA2 GLY 17 2HA GLY 17 3.778 -11.612 1.976 133 HA3 GLY 17 1HA GLY 17 4.020 -13.022 0.937 134 H PHE 18 H PHE 18 1.797 -10.298 0.405 135 HA PHE 18 HA PHE 18 2.981 -9.918 -2.288 136 HB2 PHE 18 2HB PHE 18 0.471 -10.089 -1.540 137 HB3 PHE 18 1HB PHE 18 0.675 -8.396 -1.103 138 HD1 PHE 18 2HD PHE 18 1.852 -6.896 -2.966 139 HD2 PHE 18 1HD PHE 18 -0.173 -10.608 -3.718 140 HE1 PHE 18 2HE PHE 18 1.552 -6.250 -5.340 141 HE2 PHE 18 1HE PHE 18 -0.473 -9.962 -6.093 142 HZ PHE 18 HZ PHE 18 0.389 -7.783 -6.904 143 H CYS 19 H CYS 19 3.057 -8.463 0.854 144 HA CYS 19 HA CYS 19 3.942 -5.831 -0.196 145 HB2 CYS 19 2HB CYS 19 2.928 -7.001 2.332 146 HB3 CYS 19 1HB CYS 19 4.104 -5.702 2.524 147 H ASP 20 H ASP 20 5.452 -8.666 0.036 148 HA ASP 20 HA ASP 20 8.014 -7.429 0.988 149 HB2 ASP 20 2HB ASP 20 6.551 -9.879 1.783 150 HB3 ASP 20 1HB ASP 20 8.287 -10.097 1.534 151 H VAL 21 H VAL 21 6.403 -9.727 -1.177 152 HA VAL 21 HA VAL 21 8.961 -10.077 -2.685 153 HB VAL 21 HB VAL 21 7.382 -11.964 -1.753 154 HG11 VAL 21 1HG1 VAL 21 5.996 -11.278 -4.363 155 HG12 VAL 21 2HG1 VAL 21 5.318 -10.990 -2.762 156 HG13 VAL 21 3HG1 VAL 21 5.620 -12.639 -3.306 157 HG21 VAL 21 3HG2 VAL 21 8.232 -12.071 -4.660 158 HG22 VAL 21 1HG2 VAL 21 8.095 -13.426 -3.537 159 HG23 VAL 21 2HG2 VAL 21 9.357 -12.215 -3.309 160 H ARG 22 H ARG 22 5.540 -9.177 -3.086 161 HA ARG 22 HA ARG 22 6.086 -8.279 -5.875 162 HB2 ARG 22 2HB ARG 22 4.006 -9.626 -4.582 163 HB3 ARG 22 1HB ARG 22 3.370 -8.002 -4.844 164 HG2 ARG 22 2HG ARG 22 2.841 -9.267 -6.814 165 HG3 ARG 22 1HG ARG 22 4.172 -8.193 -7.247 166 HD2 ARG 22 2HD ARG 22 5.680 -9.927 -7.457 167 HD3 ARG 22 1HD ARG 22 4.899 -10.894 -6.189 168 HE ARG 22 HE ARG 22 3.179 -10.509 -8.504 169 HH11 ARG 22 1HH2 ARG 22 5.768 -12.340 -7.133 170 HH12 ARG 22 2HH2 ARG 22 5.434 -13.755 -8.075 171 HH21 ARG 22 1HH1 ARG 22 2.737 -12.347 -9.733 172 HH22 ARG 22 2HH1 ARG 22 3.721 -13.760 -9.544 173 H GLN 23 H GLN 23 6.295 -6.989 -2.844 174 HA GLN 23 HA GLN 23 4.948 -4.677 -2.468 175 HB2 GLN 23 2HB GLN 23 7.150 -3.705 -1.722 176 HB3 GLN 23 1HB GLN 23 6.869 -5.350 -1.142 177 HG2 GLN 23 2HG GLN 23 8.336 -6.284 -2.771 178 HG3 GLN 23 1HG GLN 23 8.387 -4.783 -3.694 179 HE21 GLN 23 1HE2 GLN 23 10.428 -3.866 -3.438 180 HE22 GLN 23 2HE2 GLN 23 11.276 -3.770 -1.971 181 H ARG 24 H ARG 24 7.222 -5.199 -5.132 182 HA ARG 24 HA ARG 24 7.643 -2.615 -6.103 183 HB2 ARG 24 2HB ARG 24 7.195 -5.314 -7.367 184 HB3 ARG 24 1HB ARG 24 7.485 -3.901 -8.383 185 HG2 ARG 24 2HG ARG 24 9.689 -4.033 -7.970 186 HG3 ARG 24 1HG ARG 24 9.385 -3.877 -6.240 187 HD2 ARG 24 2HD ARG 24 10.553 -5.981 -6.600 188 HD3 ARG 24 1HD ARG 24 8.865 -6.372 -6.215 189 HE ARG 24 HE ARG 24 8.905 -6.048 -8.987 190 HH11 ARG 24 1HH2 ARG 24 10.536 -7.984 -6.635 191 HH12 ARG 24 2HH2 ARG 24 10.761 -9.324 -7.707 192 HH21 ARG 24 1HH1 ARG 24 9.196 -7.791 -10.394 193 HH22 ARG 24 2HH1 ARG 24 10.006 -9.216 -9.833 194 H LEU 25 H LEU 25 4.685 -4.550 -6.252 195 HA LEU 25 HA LEU 25 3.365 -2.479 -7.939 196 HB2 LEU 25 2HB LEU 25 3.196 -4.841 -8.579 197 HB3 LEU 25 1HB LEU 25 2.537 -5.240 -6.992 198 HG LEU 25 HG LEU 25 1.020 -3.076 -8.138 199 HD11 LEU 25 1HD1 LEU 25 1.397 -3.700 -10.341 200 HD12 LEU 25 2HD1 LEU 25 0.035 -4.752 -9.949 201 HD13 LEU 25 3HD1 LEU 25 1.680 -5.390 -9.923 202 HD21 LEU 25 3HD2 LEU 25 -0.774 -4.952 -7.968 203 HD22 LEU 25 1HD2 LEU 25 0.009 -4.421 -6.479 204 HD23 LEU 25 2HD2 LEU 25 0.519 -5.919 -7.258 205 H MET 26 H MET 26 2.538 -4.378 -5.002 206 HA MET 26 HA MET 26 0.306 -3.039 -4.092 207 HB2 MET 26 2HB MET 26 1.207 -4.922 -2.925 208 HB3 MET 26 1HB MET 26 2.736 -4.094 -2.628 209 HG2 MET 26 2HG MET 26 1.922 -3.311 -0.685 210 HG3 MET 26 1HG MET 26 0.670 -2.448 -1.576 211 HE1 MET 26 3HE MET 26 0.349 -6.655 -1.748 212 HE2 MET 26 1HE MET 26 0.778 -6.643 -0.032 213 HE3 MET 26 2HE MET 26 1.819 -5.845 -1.210 214 H LYS 27 H LYS 27 3.681 -1.961 -3.651 215 HA LYS 27 HA LYS 27 3.238 0.304 -2.016 216 HB2 LYS 27 2HB LYS 27 5.453 -0.421 -2.419 217 HB3 LYS 27 1HB LYS 27 5.216 -0.458 -4.166 218 HG2 LYS 27 2HG LYS 27 6.561 1.482 -3.653 219 HG3 LYS 27 1HG LYS 27 4.954 2.053 -4.100 220 HD2 LYS 27 2HD LYS 27 4.666 3.005 -2.083 221 HD3 LYS 27 1HD LYS 27 5.061 1.493 -1.265 222 HE2 LYS 27 2HE LYS 27 7.282 2.072 -0.978 223 HE3 LYS 27 1HE LYS 27 7.326 3.040 -2.466 224 HZ1 LYS 27 3HZ LYS 27 7.255 4.621 -0.769 225 HZ2 LYS 27 1HZ LYS 27 6.128 3.741 0.145 226 HZ3 LYS 27 2HZ LYS 27 5.639 4.516 -1.285 227 H ARG 28 H ARG 28 2.273 -0.234 -5.289 228 HA ARG 28 HA ARG 28 2.043 2.679 -5.851 229 HB2 ARG 28 2HB ARG 28 1.897 0.122 -7.442 230 HB3 ARG 28 1HB ARG 28 1.382 1.659 -8.137 231 HG2 ARG 28 2HG ARG 28 3.809 2.306 -6.986 232 HG3 ARG 28 1HG ARG 28 4.092 0.672 -7.592 233 HD2 ARG 28 2HD ARG 28 2.845 1.646 -9.749 234 HD3 ARG 28 1HD ARG 28 3.492 3.173 -9.118 235 HE ARG 28 HE ARG 28 5.488 1.078 -9.037 236 HH11 ARG 28 1HH2 ARG 28 3.847 3.346 -11.059 237 HH12 ARG 28 2HH2 ARG 28 5.145 3.466 -12.197 238 HH21 ARG 28 1HH1 ARG 28 7.188 1.227 -10.519 239 HH22 ARG 28 2HH1 ARG 28 7.033 2.269 -11.894 240 H LEU 29 H LEU 29 -0.039 -0.249 -5.662 241 HA LEU 29 HA LEU 29 -2.389 1.621 -5.650 242 HB2 LEU 29 2HB LEU 29 -3.523 -0.550 -6.603 243 HB3 LEU 29 1HB LEU 29 -2.551 0.471 -7.667 244 HG LEU 29 HG LEU 29 -1.240 -1.772 -6.154 245 HD11 LEU 29 1HD1 LEU 29 -2.475 -3.312 -7.240 246 HD12 LEU 29 2HD1 LEU 29 -1.827 -2.687 -8.758 247 HD13 LEU 29 3HD1 LEU 29 -3.344 -2.054 -8.119 248 HD21 LEU 29 3HD2 LEU 29 -0.363 0.198 -7.902 249 HD22 LEU 29 1HD2 LEU 29 -0.535 -1.211 -8.948 250 HD23 LEU 29 2HD2 LEU 29 0.504 -1.291 -7.526 251 H CYS 30 H CYS 30 -0.712 -0.114 -3.478 252 HA CYS 30 HA CYS 30 -3.100 -0.527 -1.809 253 HB2 CYS 30 2HB CYS 30 -1.738 -2.662 -3.301 254 HB3 CYS 30 1HB CYS 30 -1.938 -3.018 -1.583 255 HA PRO 31 HA PRO 31 1.039 0.039 0.359 256 HB2 PRO 31 2HB PRO 31 1.076 2.745 0.716 257 HB3 PRO 31 1HB PRO 31 1.766 1.958 -0.719 258 HG2 PRO 31 2HG PRO 31 -0.762 3.460 -0.420 259 HG3 PRO 31 1HG PRO 31 0.294 3.285 -1.831 260 HD2 PRO 31 2HD PRO 31 -2.112 1.926 -1.392 261 HD3 PRO 31 1HD PRO 31 -0.869 1.517 -2.597 262 H ARG 32 H ARG 32 -1.992 1.857 0.760 263 HA ARG 32 HA ARG 32 -2.077 2.684 3.352 264 HB2 ARG 32 2HB ARG 32 -4.076 1.135 1.700 265 HB3 ARG 32 1HB ARG 32 -4.503 1.806 3.274 266 HG2 ARG 32 2HG ARG 32 -3.359 3.987 2.199 267 HG3 ARG 32 1HG ARG 32 -3.912 3.209 0.716 268 HD2 ARG 32 2HD ARG 32 -6.204 3.003 1.753 269 HD3 ARG 32 1HD ARG 32 -5.614 3.991 3.106 270 HE ARG 32 HE ARG 32 -4.882 5.349 0.745 271 HH11 ARG 32 1HH2 ARG 32 -7.738 4.292 2.377 272 HH12 ARG 32 2HH2 ARG 32 -8.716 5.585 1.772 273 HH21 ARG 32 1HH1 ARG 32 -6.149 7.038 -0.048 274 HH22 ARG 32 2HH1 ARG 32 -7.819 7.139 0.402 275 H SER 33 H SER 33 -2.730 -0.713 2.417 276 HA SER 33 HA SER 33 -3.160 -1.778 4.990 277 HB2 SER 33 2HB SER 33 -2.305 -2.724 2.309 278 HB3 SER 33 1HB SER 33 -1.995 -3.828 3.651 279 HG SER 33 HG SER 33 -4.091 -4.064 3.949 280 H CYS 34 H CYS 34 -0.076 -2.074 3.173 281 HA CYS 34 HA CYS 34 1.365 -2.737 5.644 282 HB2 CYS 34 2HB CYS 34 2.312 -2.268 2.806 283 HB3 CYS 34 1HB CYS 34 3.192 -3.121 4.077 284 H ASP 35 H ASP 35 0.225 0.084 5.198 285 HA ASP 35 HA ASP 35 0.950 2.326 5.479 286 HB2 ASP 35 2HB ASP 35 2.361 0.455 7.247 287 HB3 ASP 35 1HB ASP 35 3.234 1.975 7.019 288 H PHE 36 H PHE 36 2.216 0.661 3.198 289 HA PHE 36 HA PHE 36 4.935 1.263 2.790 290 HB2 PHE 36 2HB PHE 36 2.513 0.990 1.021 291 HB3 PHE 36 1HB PHE 36 4.096 1.326 0.321 292 HD1 PHE 36 1HD PHE 36 4.655 -0.461 3.298 293 HD2 PHE 36 2HD PHE 36 3.290 -1.015 -0.736 294 HE1 PHE 36 1HE PHE 36 5.231 -2.865 3.431 295 HE2 PHE 36 2HE PHE 36 3.863 -3.411 -0.601 296 HZ PHE 36 HZ PHE 36 4.838 -4.344 1.481 297 H CYS 37 H CYS 37 2.160 3.406 2.690 298 HA CYS 37 HA CYS 37 3.996 5.638 1.888 299 HB2 CYS 37 2HB CYS 37 1.133 4.981 1.166 300 HB3 CYS 37 1HB CYS 37 1.799 6.601 0.941 301 HXT CYS 37 2H CYS 37 1.005 7.003 4.265 Start of MODEL 14 1 H1 TYR 1 H TYR 1 3.986 13.432 -0.452 2 HA TYR 1 HA TYR 1 3.137 11.856 1.942 3 HB2 TYR 1 2HB TYR 1 3.536 14.708 1.219 4 HB3 TYR 1 1HB TYR 1 2.179 14.375 2.294 5 HD1 TYR 1 1HD TYR 1 3.107 12.089 3.863 6 HD2 TYR 1 2HD TYR 1 5.256 15.571 2.559 7 HE1 TYR 1 1HE TYR 1 4.678 11.832 5.765 8 HE2 TYR 1 2HE TYR 1 6.826 15.315 4.460 9 HH TYR 1 HH TYR 1 7.346 14.150 6.267 10 H GLY 2 H GLY 2 1.906 10.833 -0.222 11 HA2 GLY 2 2HA GLY 2 -0.882 11.339 0.242 12 HA3 GLY 2 1HA GLY 2 -0.385 12.101 -1.270 13 H CYS 3 H CYS 3 -0.089 8.960 0.424 14 HA CYS 3 HA CYS 3 -0.172 7.621 -2.257 15 HB2 CYS 3 2HB CYS 3 0.915 5.755 -0.991 16 HB3 CYS 3 1HB CYS 3 1.849 7.249 -0.925 17 H LEU 4 H LEU 4 -1.657 5.906 -2.559 18 HA LEU 4 HA LEU 4 -3.355 4.934 -0.388 19 HB2 LEU 4 2HB LEU 4 -5.416 5.960 -1.216 20 HB3 LEU 4 1HB LEU 4 -4.233 7.224 -0.879 21 HG LEU 4 HG LEU 4 -3.904 6.264 -3.582 22 HD11 LEU 4 1HD1 LEU 4 -6.149 7.324 -4.339 23 HD12 LEU 4 2HD1 LEU 4 -6.685 7.016 -2.687 24 HD13 LEU 4 3HD1 LEU 4 -6.187 5.675 -3.717 25 HD21 LEU 4 3HD2 LEU 4 -4.433 8.842 -2.142 26 HD22 LEU 4 1HD2 LEU 4 -4.637 8.799 -3.893 27 HD23 LEU 4 2HD2 LEU 4 -3.077 8.398 -3.177 28 H ASP 5 H ASP 5 -4.677 3.168 -1.096 29 HA ASP 5 HA ASP 5 -3.668 1.782 -3.460 30 HB2 ASP 5 2HB ASP 5 -4.894 -0.049 -2.535 31 HB3 ASP 5 1HB ASP 5 -4.279 0.856 -1.149 32 H ARG 6 H ARG 6 -5.468 0.643 -4.855 33 HA ARG 6 HA ARG 6 -7.706 2.539 -5.446 34 HB2 ARG 6 2HB ARG 6 -5.463 1.543 -7.179 35 HB3 ARG 6 1HB ARG 6 -7.018 1.924 -7.918 36 HG2 ARG 6 2HG ARG 6 -6.798 4.149 -6.517 37 HG3 ARG 6 1HG ARG 6 -5.080 3.751 -6.539 38 HD2 ARG 6 2HD ARG 6 -5.047 4.778 -8.575 39 HD3 ARG 6 1HD ARG 6 -5.867 3.324 -9.177 40 HE ARG 6 HE ARG 6 -7.691 5.226 -7.920 41 HH11 ARG 6 1HH2 ARG 6 -6.029 4.284 -10.797 42 HH12 ARG 6 2HH2 ARG 6 -7.171 5.036 -11.858 43 HH21 ARG 6 1HH1 ARG 6 -9.189 6.210 -9.292 44 HH22 ARG 6 2HH1 ARG 6 -8.962 6.125 -11.007 45 H ILE 7 H ILE 7 -6.906 -0.531 -4.593 46 HA ILE 7 HA ILE 7 -9.327 -1.647 -5.950 47 HB ILE 7 HB ILE 7 -8.047 -3.657 -6.518 48 HG12 ILE 7 2HG1 ILE 7 -5.897 -2.222 -4.958 49 HG13 ILE 7 1HG1 ILE 7 -6.452 -3.886 -4.791 50 HG21 ILE 7 1HG2 ILE 7 -7.166 -2.713 -8.397 51 HG22 ILE 7 2HG2 ILE 7 -6.156 -1.596 -7.481 52 HG23 ILE 7 3HG2 ILE 7 -7.859 -1.225 -7.752 53 HD11 ILE 7 3HD1 ILE 7 -4.355 -2.822 -6.492 54 HD12 ILE 7 1HD1 ILE 7 -5.553 -3.704 -7.439 55 HD13 ILE 7 2HD1 ILE 7 -4.730 -4.500 -6.101 56 H PHE 8 H PHE 8 -9.820 -3.910 -4.870 57 HA PHE 8 HA PHE 8 -9.612 -3.501 -1.920 58 HB2 PHE 8 2HB PHE 8 -11.689 -4.605 -1.817 59 HB3 PHE 8 1HB PHE 8 -11.793 -3.701 -3.330 60 HD1 PHE 8 1HD PHE 8 -11.342 -7.039 -1.817 61 HD2 PHE 8 2HD PHE 8 -11.714 -4.836 -5.486 62 HE1 PHE 8 1HE PHE 8 -11.702 -9.159 -3.052 63 HE2 PHE 8 2HE PHE 8 -12.074 -6.958 -6.721 64 HZ PHE 8 HZ PHE 8 -12.068 -9.118 -5.505 65 H VAL 9 H VAL 9 -8.328 -5.497 -4.393 66 HA VAL 9 HA VAL 9 -8.093 -7.955 -2.861 67 HB VAL 9 HB VAL 9 -8.069 -7.845 -5.318 68 HG11 VAL 9 1HG1 VAL 9 -5.671 -7.013 -6.176 69 HG12 VAL 9 2HG1 VAL 9 -5.811 -5.981 -4.752 70 HG13 VAL 9 3HG1 VAL 9 -7.037 -5.911 -6.019 71 HG21 VAL 9 3HG2 VAL 9 -6.836 -9.658 -4.089 72 HG22 VAL 9 1HG2 VAL 9 -5.363 -8.705 -4.255 73 HG23 VAL 9 2HG2 VAL 9 -6.180 -9.324 -5.691 74 H CYS 10 H CYS 10 -6.722 -5.004 -2.300 75 HA CYS 10 HA CYS 10 -3.944 -5.594 -1.867 76 HB2 CYS 10 2HB CYS 10 -4.663 -3.342 -2.037 77 HB3 CYS 10 1HB CYS 10 -5.939 -3.564 -0.848 78 H THR 11 H THR 11 -6.622 -5.277 0.490 79 HA THR 11 HA THR 11 -5.264 -5.970 2.795 80 HB THR 11 HB THR 11 -7.748 -5.319 2.268 81 HG1 THR 11 1HG THR 11 -7.508 -5.372 4.347 82 HG21 THR 11 3HG2 THR 11 -9.293 -7.256 2.499 83 HG22 THR 11 1HG2 THR 11 -7.908 -8.342 2.399 84 HG23 THR 11 2HG2 THR 11 -8.338 -7.334 1.018 85 H SER 12 H SER 12 -6.782 -8.262 0.502 86 HA SER 12 HA SER 12 -6.094 -10.645 1.940 87 HB2 SER 12 2HB SER 12 -6.152 -11.068 -0.898 88 HB3 SER 12 1HB SER 12 -7.401 -11.440 0.285 89 HG SER 12 HG SER 12 -8.188 -9.966 -1.229 90 H TRP 13 H TRP 13 -4.312 -8.649 -0.357 91 HA TRP 13 HA TRP 13 -2.205 -10.512 -0.960 92 HB2 TRP 13 2HB TRP 13 -2.646 -7.541 -1.057 93 HB3 TRP 13 1HB TRP 13 -1.041 -8.187 -1.399 94 HD1 TRP 13 HD TRP 13 -2.689 -10.913 -2.685 95 HE1 TRP 13 1HE TRP 13 -3.381 -10.673 -5.157 96 HE3 TRP 13 3HE TRP 13 -2.413 -5.847 -3.184 97 HZ2 TRP 13 2HZ TRP 13 -3.765 -8.594 -7.093 98 HZ3 TRP 13 3HZ TRP 13 -2.944 -4.757 -5.341 99 HH2 TRP 13 HH TRP 13 -3.623 -6.120 -7.294 100 H ALA 14 H ALA 14 -2.103 -7.637 1.189 101 HA ALA 14 HA ALA 14 0.402 -8.241 2.392 102 HB1 ALA 14 1HB ALA 14 -0.385 -6.061 2.668 103 HB2 ALA 14 2HB ALA 14 -0.728 -6.749 4.256 104 HB3 ALA 14 3HB ALA 14 -2.019 -6.597 3.063 105 H ARG 15 H ARG 15 -2.697 -9.704 2.879 106 HA ARG 15 HA ARG 15 -2.429 -10.532 5.616 107 HB2 ARG 15 2HB ARG 15 -4.052 -11.172 3.220 108 HB3 ARG 15 1HB ARG 15 -3.959 -12.455 4.427 109 HG2 ARG 15 2HG ARG 15 -4.473 -10.555 6.140 110 HG3 ARG 15 1HG ARG 15 -5.041 -9.661 4.729 111 HD2 ARG 15 2HD ARG 15 -7.000 -10.795 4.828 112 HD3 ARG 15 1HD ARG 15 -6.119 -12.317 4.584 113 HE ARG 15 HE ARG 15 -5.872 -11.301 7.305 114 HH11 ARG 15 1HH2 ARG 15 -7.809 -13.097 5.076 115 HH12 ARG 15 2HH2 ARG 15 -8.569 -14.047 6.306 116 HH21 ARG 15 1HH1 ARG 15 -6.855 -12.538 8.914 117 HH22 ARG 15 2HH1 ARG 15 -8.032 -13.730 8.478 118 H LYS 16 H LYS 16 -0.613 -11.419 2.880 119 HA LYS 16 HA LYS 16 0.294 -13.920 4.276 120 HB2 LYS 16 2HB LYS 16 -1.155 -14.353 2.300 121 HB3 LYS 16 1HB LYS 16 -0.036 -13.430 1.297 122 HG2 LYS 16 2HG LYS 16 0.601 -15.701 0.992 123 HG3 LYS 16 1HG LYS 16 1.783 -15.048 2.123 124 HD2 LYS 16 2HD LYS 16 -0.641 -16.146 3.394 125 HD3 LYS 16 1HD LYS 16 0.348 -17.339 2.553 126 HE2 LYS 16 2HE LYS 16 2.234 -16.917 3.908 127 HE3 LYS 16 1HE LYS 16 1.612 -15.341 4.437 128 HZ1 LYS 16 3HZ LYS 16 -0.386 -16.860 5.203 129 HZ2 LYS 16 1HZ LYS 16 0.956 -16.591 6.204 130 HZ3 LYS 16 2HZ LYS 16 0.845 -18.028 5.303 131 H GLY 17 H GLY 17 1.153 -10.882 3.067 132 HA2 GLY 17 2HA GLY 17 3.444 -10.076 3.511 133 HA3 GLY 17 1HA GLY 17 4.034 -11.681 3.054 134 H PHE 18 H PHE 18 1.501 -10.019 1.298 135 HA PHE 18 HA PHE 18 2.837 -10.336 -1.239 136 HB2 PHE 18 2HB PHE 18 0.358 -10.244 -0.689 137 HB3 PHE 18 1HB PHE 18 0.548 -8.503 -0.490 138 HD1 PHE 18 1HD PHE 18 1.307 -7.100 -2.431 139 HD2 PHE 18 2HD PHE 18 0.286 -11.251 -2.854 140 HE1 PHE 18 1HE PHE 18 1.098 -6.799 -4.884 141 HE2 PHE 18 2HE PHE 18 0.079 -10.951 -5.305 142 HZ PHE 18 HZ PHE 18 0.484 -8.726 -6.322 143 H CYS 19 H CYS 19 2.633 -7.688 1.100 144 HA CYS 19 HA CYS 19 3.613 -5.634 -0.702 145 HB2 CYS 19 2HB CYS 19 3.672 -4.303 1.283 146 HB3 CYS 19 1HB CYS 19 2.292 -5.387 1.462 147 H ASP 20 H ASP 20 5.148 -8.261 0.867 148 HA ASP 20 HA ASP 20 7.811 -6.904 0.795 149 HB2 ASP 20 2HB ASP 20 6.504 -9.094 2.316 150 HB3 ASP 20 1HB ASP 20 8.214 -9.338 1.943 151 H VAL 21 H VAL 21 5.886 -9.405 -0.707 152 HA VAL 21 HA VAL 21 8.233 -10.488 -2.188 153 HB VAL 21 HB VAL 21 5.304 -11.288 -2.171 154 HG11 VAL 21 1HG1 VAL 21 6.282 -12.296 -4.055 155 HG12 VAL 21 2HG1 VAL 21 6.480 -13.528 -2.809 156 HG13 VAL 21 3HG1 VAL 21 7.840 -12.499 -3.254 157 HG21 VAL 21 3HG2 VAL 21 7.179 -11.442 -0.074 158 HG22 VAL 21 1HG2 VAL 21 7.115 -13.063 -0.765 159 HG23 VAL 21 2HG2 VAL 21 5.639 -12.296 -0.180 160 H ARG 22 H ARG 22 5.065 -8.966 -2.759 161 HA ARG 22 HA ARG 22 5.730 -8.578 -5.635 162 HB2 ARG 22 2HB ARG 22 3.232 -8.220 -3.949 163 HB3 ARG 22 1HB ARG 22 3.303 -7.874 -5.678 164 HG2 ARG 22 2HG ARG 22 4.385 -10.511 -4.939 165 HG3 ARG 22 1HG ARG 22 2.665 -10.323 -4.604 166 HD2 ARG 22 2HD ARG 22 2.128 -10.313 -6.818 167 HD3 ARG 22 1HD ARG 22 3.487 -9.247 -7.227 168 HE ARG 22 HE ARG 22 4.346 -11.919 -6.434 169 HH11 ARG 22 1HH2 ARG 22 3.217 -9.891 -8.990 170 HH12 ARG 22 2HH2 ARG 22 3.918 -10.859 -10.242 171 HH21 ARG 22 1HH1 ARG 22 5.265 -13.189 -8.059 172 HH22 ARG 22 2HH1 ARG 22 5.078 -12.723 -9.716 173 H GLN 23 H GLN 23 6.321 -6.992 -2.826 174 HA GLN 23 HA GLN 23 5.669 -4.490 -2.478 175 HB2 GLN 23 2HB GLN 23 7.812 -5.625 -1.803 176 HB3 GLN 23 1HB GLN 23 8.495 -5.140 -3.359 177 HG2 GLN 23 2HG GLN 23 7.189 -3.003 -1.748 178 HG3 GLN 23 1HG GLN 23 8.726 -3.622 -1.144 179 HE21 GLN 23 1HE2 GLN 23 9.957 -1.721 -1.728 180 HE22 GLN 23 2HE2 GLN 23 10.245 -1.294 -3.345 181 H ARG 24 H ARG 24 7.549 -5.225 -5.471 182 HA ARG 24 HA ARG 24 7.532 -2.614 -6.558 183 HB2 ARG 24 2HB ARG 24 7.815 -3.854 -8.729 184 HB3 ARG 24 1HB ARG 24 8.873 -4.437 -7.443 185 HG2 ARG 24 2HG ARG 24 6.728 -6.022 -7.012 186 HG3 ARG 24 1HG ARG 24 6.571 -5.780 -8.752 187 HD2 ARG 24 2HD ARG 24 9.286 -6.255 -8.459 188 HD3 ARG 24 1HD ARG 24 8.558 -7.357 -7.275 189 HE ARG 24 HE ARG 24 7.517 -8.523 -9.058 190 HH11 ARG 24 1HH2 ARG 24 8.778 -5.464 -10.060 191 HH12 ARG 24 2HH2 ARG 24 8.505 -5.760 -11.744 192 HH21 ARG 24 1HH1 ARG 24 7.156 -8.914 -11.249 193 HH22 ARG 24 2HH1 ARG 24 7.587 -7.709 -12.416 194 H LEU 25 H LEU 25 5.069 -5.175 -6.821 195 HA LEU 25 HA LEU 25 3.351 -3.688 -8.626 196 HB2 LEU 25 2HB LEU 25 3.550 -6.212 -8.204 197 HB3 LEU 25 1HB LEU 25 2.602 -5.934 -6.743 198 HG LEU 25 HG LEU 25 1.234 -4.555 -8.766 199 HD11 LEU 25 1HD1 LEU 25 2.059 -5.582 -10.647 200 HD12 LEU 25 2HD1 LEU 25 0.892 -6.821 -10.190 201 HD13 LEU 25 3HD1 LEU 25 2.592 -7.009 -9.760 202 HD21 LEU 25 3HD2 LEU 25 0.334 -5.853 -6.808 203 HD22 LEU 25 1HD2 LEU 25 0.679 -7.339 -7.694 204 HD23 LEU 25 2HD2 LEU 25 -0.506 -6.193 -8.320 205 H MET 26 H MET 26 2.622 -4.759 -5.291 206 HA MET 26 HA MET 26 0.459 -3.147 -4.701 207 HB2 MET 26 2HB MET 26 1.700 -4.898 -3.309 208 HB3 MET 26 1HB MET 26 2.784 -3.598 -2.815 209 HG2 MET 26 2HG MET 26 1.255 -3.352 -1.132 210 HG3 MET 26 1HG MET 26 0.401 -2.404 -2.350 211 HE1 MET 26 3HE MET 26 -0.860 -4.265 0.312 212 HE2 MET 26 1HE MET 26 0.615 -5.163 -0.076 213 HE3 MET 26 2HE MET 26 -0.952 -5.965 -0.143 214 H LYS 27 H LYS 27 3.801 -2.124 -5.027 215 HA LYS 27 HA LYS 27 4.023 0.244 -3.649 216 HB2 LYS 27 2HB LYS 27 5.170 -1.007 -5.907 217 HB3 LYS 27 1HB LYS 27 4.815 0.648 -6.403 218 HG2 LYS 27 2HG LYS 27 5.850 1.007 -3.873 219 HG3 LYS 27 1HG LYS 27 6.809 -0.342 -4.483 220 HD2 LYS 27 2HD LYS 27 7.905 0.969 -5.966 221 HD3 LYS 27 1HD LYS 27 6.420 1.771 -6.477 222 HE2 LYS 27 2HE LYS 27 7.608 2.407 -3.779 223 HE3 LYS 27 1HE LYS 27 8.221 3.206 -5.241 224 HZ1 LYS 27 3HZ LYS 27 5.602 3.404 -3.984 225 HZ2 LYS 27 1HZ LYS 27 5.611 3.340 -5.680 226 HZ3 LYS 27 2HZ LYS 27 6.468 4.564 -4.872 227 H ARG 28 H ARG 28 2.407 -0.049 -6.842 228 HA ARG 28 HA ARG 28 1.263 2.681 -6.468 229 HB2 ARG 28 2HB ARG 28 0.664 2.305 -8.898 230 HB3 ARG 28 1HB ARG 28 2.392 2.240 -8.557 231 HG2 ARG 28 2HG ARG 28 2.494 -0.075 -8.794 232 HG3 ARG 28 1HG ARG 28 0.780 -0.288 -8.443 233 HD2 ARG 28 2HD ARG 28 1.814 1.058 -10.962 234 HD3 ARG 28 1HD ARG 28 1.350 -0.647 -10.870 235 HE ARG 28 HE ARG 28 -0.933 0.014 -10.432 236 HH11 ARG 28 1HH2 ARG 28 1.242 2.694 -10.857 237 HH12 ARG 28 2HH2 ARG 28 -0.030 3.823 -11.156 238 HH21 ARG 28 1HH1 ARG 28 -2.568 1.499 -10.807 239 HH22 ARG 28 2HH1 ARG 28 -2.173 3.155 -11.124 240 H LEU 29 H LEU 29 0.309 -0.708 -6.670 241 HA LEU 29 HA LEU 29 -2.510 -0.250 -7.093 242 HB2 LEU 29 2HB LEU 29 -0.759 -2.504 -6.129 243 HB3 LEU 29 1HB LEU 29 -2.519 -2.672 -6.102 244 HG LEU 29 HG LEU 29 -0.784 -2.077 -8.519 245 HD11 LEU 29 1HD1 LEU 29 -2.740 -4.308 -8.438 246 HD12 LEU 29 2HD1 LEU 29 -1.329 -4.483 -7.396 247 HD13 LEU 29 3HD1 LEU 29 -1.120 -4.257 -9.132 248 HD21 LEU 29 3HD2 LEU 29 -3.633 -1.587 -7.971 249 HD22 LEU 29 1HD2 LEU 29 -3.353 -2.556 -9.417 250 HD23 LEU 29 2HD2 LEU 29 -2.617 -0.960 -9.268 251 H CYS 30 H CYS 30 -0.675 -1.057 -4.103 252 HA CYS 30 HA CYS 30 -2.717 0.444 -2.537 253 HB2 CYS 30 2HB CYS 30 -3.506 -1.879 -2.718 254 HB3 CYS 30 1HB CYS 30 -1.954 -2.461 -2.109 255 HA PRO 31 HA PRO 31 1.581 0.934 -0.969 256 HB2 PRO 31 2HB PRO 31 1.612 3.663 -1.027 257 HB3 PRO 31 1HB PRO 31 2.034 2.665 -2.434 258 HG2 PRO 31 2HG PRO 31 -0.441 4.185 -1.865 259 HG3 PRO 31 1HG PRO 31 0.328 3.812 -3.415 260 HD2 PRO 31 2HD PRO 31 -1.899 2.521 -2.344 261 HD3 PRO 31 1HD PRO 31 -0.880 1.918 -3.671 262 H ARG 32 H ARG 32 -1.527 1.582 0.098 263 HA ARG 32 HA ARG 32 -0.699 3.001 2.577 264 HB2 ARG 32 2HB ARG 32 -2.660 3.738 1.265 265 HB3 ARG 32 1HB ARG 32 -3.397 2.150 1.480 266 HG2 ARG 32 2HG ARG 32 -3.548 2.455 3.863 267 HG3 ARG 32 1HG ARG 32 -2.586 3.932 3.788 268 HD2 ARG 32 2HD ARG 32 -4.502 4.720 2.125 269 HD3 ARG 32 1HD ARG 32 -5.448 3.499 3.001 270 HE ARG 32 HE ARG 32 -5.296 4.842 4.949 271 HH11 ARG 32 1HH2 ARG 32 -3.037 5.811 2.519 272 HH12 ARG 32 2HH2 ARG 32 -2.566 7.254 3.352 273 HH21 ARG 32 1HH1 ARG 32 -4.688 6.723 6.039 274 HH22 ARG 32 2HH1 ARG 32 -3.499 7.770 5.338 275 H SER 33 H SER 33 -0.824 -0.174 1.588 276 HA SER 33 HA SER 33 -2.064 -1.300 4.013 277 HB2 SER 33 2HB SER 33 -1.609 -2.093 1.378 278 HB3 SER 33 1HB SER 33 -0.507 -3.095 2.319 279 HG SER 33 HG SER 33 -2.186 -3.932 3.412 280 H CYS 34 H CYS 34 1.107 -2.021 2.515 281 HA CYS 34 HA CYS 34 2.223 -2.666 5.152 282 HB2 CYS 34 2HB CYS 34 2.594 -3.441 2.515 283 HB3 CYS 34 1HB CYS 34 4.054 -2.520 2.875 284 H ASP 35 H ASP 35 1.545 0.245 4.181 285 HA ASP 35 HA ASP 35 2.428 2.344 4.799 286 HB2 ASP 35 2HB ASP 35 3.601 2.105 6.715 287 HB3 ASP 35 1HB ASP 35 3.717 0.380 6.382 288 H PHE 36 H PHE 36 3.132 0.774 2.227 289 HA PHE 36 HA PHE 36 5.634 1.148 1.152 290 HB2 PHE 36 2HB PHE 36 2.863 1.708 0.112 291 HB3 PHE 36 1HB PHE 36 4.270 1.944 -0.929 292 HD1 PHE 36 1HD PHE 36 2.425 -0.569 1.102 293 HD2 PHE 36 2HD PHE 36 5.469 0.108 -1.851 294 HE1 PHE 36 1HE PHE 36 2.514 -3.000 0.637 295 HE2 PHE 36 2HE PHE 36 5.559 -2.324 -2.316 296 HZ PHE 36 HZ PHE 36 4.083 -3.877 -1.072 297 H CYS 37 H CYS 37 3.345 3.723 1.981 298 HA CYS 37 HA CYS 37 4.374 5.949 0.679 299 HB2 CYS 37 2HB CYS 37 2.701 5.360 2.853 300 HB3 CYS 37 1HB CYS 37 3.914 6.464 3.511 301 HXT CYS 37 2H CYS 37 7.791 6.063 1.699 Start of MODEL 15 1 H1 TYR 1 H TYR 1 -2.580 12.761 -1.142 2 HA TYR 1 HA TYR 1 -1.723 12.547 -3.609 3 HB2 TYR 1 2HB TYR 1 -1.482 14.533 -1.979 4 HB3 TYR 1 1HB TYR 1 0.151 13.939 -1.685 5 HD1 TYR 1 1HD TYR 1 -2.132 15.404 -4.187 6 HD2 TYR 1 2HD TYR 1 1.862 14.031 -3.407 7 HE1 TYR 1 1HE TYR 1 -1.347 16.507 -6.265 8 HE2 TYR 1 2HE TYR 1 2.647 15.134 -5.483 9 HH TYR 1 HH TYR 1 1.126 17.454 -7.019 10 H GLY 2 H GLY 2 -1.089 10.014 -2.970 11 HA2 GLY 2 2HA GLY 2 0.831 8.815 -4.063 12 HA3 GLY 2 1HA GLY 2 1.896 9.905 -3.174 13 H CYS 3 H CYS 3 -0.949 8.766 -1.565 14 HA CYS 3 HA CYS 3 0.506 6.543 -0.239 15 HB2 CYS 3 2HB CYS 3 -0.360 9.153 1.009 16 HB3 CYS 3 1HB CYS 3 -0.148 7.700 1.985 17 H LEU 4 H LEU 4 -1.719 6.274 -1.893 18 HA LEU 4 HA LEU 4 -3.841 5.520 0.076 19 HB2 LEU 4 2HB LEU 4 -5.513 6.492 -1.420 20 HB3 LEU 4 1HB LEU 4 -4.315 7.720 -1.012 21 HG LEU 4 HG LEU 4 -3.385 6.287 -3.309 22 HD11 LEU 4 1HD1 LEU 4 -5.186 6.831 -4.898 23 HD12 LEU 4 2HD1 LEU 4 -6.189 7.418 -3.572 24 HD13 LEU 4 3HD1 LEU 4 -5.766 5.708 -3.668 25 HD21 LEU 4 3HD2 LEU 4 -3.997 8.737 -4.239 26 HD22 LEU 4 1HD2 LEU 4 -2.611 8.455 -3.184 27 HD23 LEU 4 2HD2 LEU 4 -4.124 9.064 -2.512 28 H ASP 5 H ASP 5 -5.204 3.801 -0.680 29 HA ASP 5 HA ASP 5 -3.824 1.815 -2.295 30 HB2 ASP 5 2HB ASP 5 -5.897 0.532 -1.748 31 HB3 ASP 5 1HB ASP 5 -5.161 1.265 -0.322 32 H ARG 6 H ARG 6 -4.278 1.214 -4.426 33 HA ARG 6 HA ARG 6 -6.115 3.010 -5.934 34 HB2 ARG 6 2HB ARG 6 -3.618 1.526 -6.359 35 HB3 ARG 6 1HB ARG 6 -4.737 1.431 -7.721 36 HG2 ARG 6 2HG ARG 6 -3.717 3.407 -8.258 37 HG3 ARG 6 1HG ARG 6 -4.964 4.045 -7.193 38 HD2 ARG 6 2HD ARG 6 -3.465 4.531 -5.511 39 HD3 ARG 6 1HD ARG 6 -2.411 3.161 -5.917 40 HE ARG 6 HE ARG 6 -2.177 4.725 -8.147 41 HH11 ARG 6 1HH2 ARG 6 -1.967 5.361 -4.758 42 HH12 ARG 6 2HH2 ARG 6 -0.888 6.701 -4.947 43 HH21 ARG 6 1HH1 ARG 6 -0.774 6.470 -8.405 44 HH22 ARG 6 2HH1 ARG 6 -0.214 7.330 -7.010 45 H ILE 7 H ILE 7 -6.230 -0.043 -4.505 46 HA ILE 7 HA ILE 7 -8.395 -0.873 -6.405 47 HB ILE 7 HB ILE 7 -6.614 -2.920 -5.136 48 HG12 ILE 7 2HG1 ILE 7 -5.882 -1.504 -7.716 49 HG13 ILE 7 1HG1 ILE 7 -5.104 -1.164 -6.169 50 HG21 ILE 7 1HG2 ILE 7 -7.968 -4.163 -6.431 51 HG22 ILE 7 2HG2 ILE 7 -7.121 -3.493 -7.824 52 HG23 ILE 7 3HG2 ILE 7 -8.604 -2.733 -7.245 53 HD11 ILE 7 3HD1 ILE 7 -4.740 -3.729 -6.041 54 HD12 ILE 7 1HD1 ILE 7 -3.696 -2.789 -7.108 55 HD13 ILE 7 2HD1 ILE 7 -5.048 -3.703 -7.777 56 H PHE 8 H PHE 8 -8.498 -3.426 -4.753 57 HA PHE 8 HA PHE 8 -9.507 -2.353 -2.166 58 HB2 PHE 8 2HB PHE 8 -11.013 -3.341 -4.473 59 HB3 PHE 8 1HB PHE 8 -11.407 -4.215 -2.990 60 HD1 PHE 8 1HD PHE 8 -11.167 -0.817 -4.497 61 HD2 PHE 8 2HD PHE 8 -12.678 -3.198 -1.257 62 HE1 PHE 8 1HE PHE 8 -12.548 1.097 -3.734 63 HE2 PHE 8 2HE PHE 8 -14.059 -1.286 -0.494 64 HZ PHE 8 HZ PHE 8 -13.995 0.862 -1.732 65 H VAL 9 H VAL 9 -7.200 -4.096 -3.041 66 HA VAL 9 HA VAL 9 -7.908 -6.504 -1.398 67 HB VAL 9 HB VAL 9 -6.552 -7.818 -2.957 68 HG11 VAL 9 1HG1 VAL 9 -8.168 -6.264 -4.896 69 HG12 VAL 9 2HG1 VAL 9 -9.035 -6.831 -3.468 70 HG13 VAL 9 3HG1 VAL 9 -8.212 -7.985 -4.517 71 HG21 VAL 9 3HG2 VAL 9 -4.916 -6.050 -3.514 72 HG22 VAL 9 1HG2 VAL 9 -6.162 -5.177 -4.406 73 HG23 VAL 9 2HG2 VAL 9 -5.607 -6.750 -4.977 74 H CYS 10 H CYS 10 -6.319 -3.787 -1.083 75 HA CYS 10 HA CYS 10 -3.563 -4.295 -0.737 76 HB2 CYS 10 2HB CYS 10 -5.367 -2.641 1.059 77 HB3 CYS 10 1HB CYS 10 -3.647 -2.381 0.762 78 H THR 11 H THR 11 -6.314 -5.180 1.279 79 HA THR 11 HA THR 11 -4.672 -6.057 3.545 80 HB THR 11 HB THR 11 -7.427 -7.037 3.340 81 HG1 THR 11 1HG THR 11 -8.255 -5.325 2.495 82 HG21 THR 11 3HG2 THR 11 -7.028 -4.979 5.289 83 HG22 THR 11 1HG2 THR 11 -5.602 -6.015 5.269 84 HG23 THR 11 2HG2 THR 11 -7.196 -6.716 5.548 85 H SER 12 H SER 12 -6.606 -7.649 0.985 86 HA SER 12 HA SER 12 -6.079 -10.346 1.769 87 HB2 SER 12 2HB SER 12 -7.545 -9.007 -0.139 88 HB3 SER 12 1HB SER 12 -6.294 -9.767 -1.118 89 HG SER 12 HG SER 12 -8.156 -10.967 0.646 90 H TRP 13 H TRP 13 -4.281 -8.064 -0.267 91 HA TRP 13 HA TRP 13 -2.336 -9.951 -1.252 92 HB2 TRP 13 2HB TRP 13 -2.671 -6.982 -1.023 93 HB3 TRP 13 1HB TRP 13 -1.066 -7.601 -1.412 94 HD1 TRP 13 HD TRP 13 -2.812 -10.168 -2.948 95 HE1 TRP 13 1HE TRP 13 -3.438 -9.708 -5.397 96 HE3 TRP 13 3HE TRP 13 -2.272 -5.075 -3.075 97 HZ2 TRP 13 2HZ TRP 13 -3.684 -7.496 -7.176 98 HZ3 TRP 13 3HZ TRP 13 -2.722 -3.828 -5.164 99 HH2 TRP 13 HH TRP 13 -3.422 -5.031 -7.213 100 H ALA 14 H ALA 14 -2.010 -7.427 1.277 101 HA ALA 14 HA ALA 14 0.498 -8.351 2.284 102 HB1 ALA 14 1HB ALA 14 0.161 -6.655 3.828 103 HB2 ALA 14 2HB ALA 14 -1.531 -7.086 4.078 104 HB3 ALA 14 3HB ALA 14 -1.054 -6.192 2.635 105 H ARG 15 H ARG 15 -2.675 -9.647 2.578 106 HA ARG 15 HA ARG 15 -2.537 -10.909 5.146 107 HB2 ARG 15 2HB ARG 15 -4.204 -10.795 2.809 108 HB3 ARG 15 1HB ARG 15 -4.021 -12.482 3.288 109 HG2 ARG 15 2HG ARG 15 -4.394 -11.181 5.708 110 HG3 ARG 15 1HG ARG 15 -5.480 -10.320 4.617 111 HD2 ARG 15 2HD ARG 15 -5.535 -13.255 4.286 112 HD3 ARG 15 1HD ARG 15 -6.132 -12.678 5.855 113 HE ARG 15 HE ARG 15 -7.316 -10.927 4.118 114 HH11 ARG 15 1HH2 ARG 15 -7.024 -14.369 4.208 115 HH12 ARG 15 2HH2 ARG 15 -8.528 -14.644 3.395 116 HH21 ARG 15 1HH1 ARG 15 -9.278 -11.276 3.064 117 HH22 ARG 15 2HH1 ARG 15 -9.803 -12.896 2.749 118 H LYS 16 H LYS 16 -0.834 -11.562 2.223 119 HA LYS 16 HA LYS 16 -0.046 -14.263 3.279 120 HB2 LYS 16 2HB LYS 16 0.020 -15.010 0.985 121 HB3 LYS 16 1HB LYS 16 -1.511 -14.163 1.203 122 HG2 LYS 16 2HG LYS 16 0.296 -12.150 0.498 123 HG3 LYS 16 1HG LYS 16 0.719 -13.505 -0.550 124 HD2 LYS 16 2HD LYS 16 -2.172 -12.785 -0.187 125 HD3 LYS 16 1HD LYS 16 -1.177 -11.825 -1.283 126 HE2 LYS 16 2HE LYS 16 -0.445 -14.307 -2.085 127 HE3 LYS 16 1HE LYS 16 -2.109 -14.633 -1.561 128 HZ1 LYS 16 3HZ LYS 16 -1.608 -12.182 -3.075 129 HZ2 LYS 16 1HZ LYS 16 -2.976 -13.185 -3.067 130 HZ3 LYS 16 2HZ LYS 16 -1.592 -13.646 -3.937 131 H GLY 17 H GLY 17 0.988 -11.133 2.387 132 HA2 GLY 17 2HA GLY 17 3.321 -10.538 3.021 133 HA3 GLY 17 1HA GLY 17 3.826 -12.084 2.327 134 H PHE 18 H PHE 18 1.366 -10.358 0.636 135 HA PHE 18 HA PHE 18 2.845 -10.205 -1.806 136 HB2 PHE 18 2HB PHE 18 0.279 -10.061 -1.097 137 HB3 PHE 18 1HB PHE 18 0.605 -8.330 -1.153 138 HD1 PHE 18 2HD PHE 18 1.818 -11.210 -3.239 139 HD2 PHE 18 1HD PHE 18 -0.246 -7.445 -3.126 140 HE1 PHE 18 2HE PHE 18 1.605 -11.250 -5.711 141 HE2 PHE 18 1HE PHE 18 -0.458 -7.484 -5.596 142 HZ PHE 18 HZ PHE 18 0.465 -9.387 -6.889 143 H CYS 19 H CYS 19 2.676 -8.074 0.960 144 HA CYS 19 HA CYS 19 3.513 -5.631 -0.322 145 HB2 CYS 19 2HB CYS 19 3.666 -6.721 2.503 146 HB3 CYS 19 1HB CYS 19 4.090 -5.061 2.086 147 H ASP 20 H ASP 20 5.175 -8.528 0.079 148 HA ASP 20 HA ASP 20 7.824 -7.115 -0.000 149 HB2 ASP 20 2HB ASP 20 6.735 -9.198 1.707 150 HB3 ASP 20 1HB ASP 20 8.174 -9.778 0.860 151 H VAL 21 H VAL 21 6.632 -10.424 -0.632 152 HA VAL 21 HA VAL 21 8.349 -11.182 -2.665 153 HB VAL 21 HB VAL 21 6.255 -12.478 -3.495 154 HG11 VAL 21 1HG1 VAL 21 8.020 -13.170 -1.744 155 HG12 VAL 21 2HG1 VAL 21 6.473 -14.015 -1.712 156 HG13 VAL 21 3HG1 VAL 21 6.804 -12.741 -0.539 157 HG21 VAL 21 3HG2 VAL 21 4.271 -11.663 -2.786 158 HG22 VAL 21 1HG2 VAL 21 5.053 -10.555 -1.660 159 HG23 VAL 21 2HG2 VAL 21 4.710 -12.212 -1.168 160 H ARG 22 H ARG 22 5.150 -9.657 -3.294 161 HA ARG 22 HA ARG 22 6.115 -8.903 -6.009 162 HB2 ARG 22 2HB ARG 22 3.643 -9.760 -4.777 163 HB3 ARG 22 1HB ARG 22 3.398 -8.226 -5.613 164 HG2 ARG 22 2HG ARG 22 3.015 -9.925 -7.252 165 HG3 ARG 22 1HG ARG 22 4.610 -9.262 -7.605 166 HD2 ARG 22 2HD ARG 22 5.094 -11.320 -5.747 167 HD3 ARG 22 1HD ARG 22 3.902 -11.985 -6.883 168 HE ARG 22 HE ARG 22 5.874 -10.528 -8.358 169 HH11 ARG 22 1HH2 ARG 22 5.424 -13.406 -6.500 170 HH12 ARG 22 2HH2 ARG 22 6.655 -14.291 -7.336 171 HH21 ARG 22 1HH1 ARG 22 7.480 -11.673 -9.453 172 HH22 ARG 22 2HH1 ARG 22 7.817 -13.312 -9.007 173 H GLN 23 H GLN 23 6.148 -7.563 -3.009 174 HA GLN 23 HA GLN 23 5.041 -5.116 -2.795 175 HB2 GLN 23 2HB GLN 23 6.949 -4.508 -1.529 176 HB3 GLN 23 1HB GLN 23 6.952 -6.272 -1.498 177 HG2 GLN 23 2HG GLN 23 9.145 -5.925 -2.106 178 HG3 GLN 23 1HG GLN 23 8.416 -5.924 -3.711 179 HE21 GLN 23 1HE2 GLN 23 10.850 -4.424 -2.748 180 HE22 GLN 23 2HE2 GLN 23 10.520 -2.788 -3.061 181 H ARG 24 H ARG 24 7.456 -5.899 -5.281 182 HA ARG 24 HA ARG 24 8.189 -3.316 -6.139 183 HB2 ARG 24 2HB ARG 24 7.924 -6.041 -7.295 184 HB3 ARG 24 1HB ARG 24 8.014 -4.721 -8.463 185 HG2 ARG 24 2HG ARG 24 9.957 -4.800 -6.172 186 HG3 ARG 24 1HG ARG 24 10.236 -5.823 -7.583 187 HD2 ARG 24 2HD ARG 24 9.888 -2.800 -7.605 188 HD3 ARG 24 1HD ARG 24 11.387 -3.691 -7.934 189 HE ARG 24 HE ARG 24 9.117 -3.432 -9.764 190 HH11 ARG 24 1HH2 ARG 24 11.842 -5.302 -8.758 191 HH12 ARG 24 2HH2 ARG 24 12.027 -6.091 -10.287 192 HH21 ARG 24 1HH1 ARG 24 9.344 -4.461 -11.758 193 HH22 ARG 24 2HH1 ARG 24 10.614 -5.616 -11.985 194 H LEU 25 H LEU 25 5.129 -4.961 -6.409 195 HA LEU 25 HA LEU 25 4.109 -2.984 -8.388 196 HB2 LEU 25 2HB LEU 25 3.597 -5.215 -8.958 197 HB3 LEU 25 1HB LEU 25 3.258 -5.657 -7.285 198 HG LEU 25 HG LEU 25 1.521 -3.507 -8.179 199 HD11 LEU 25 1HD1 LEU 25 1.191 -4.226 -10.308 200 HD12 LEU 25 2HD1 LEU 25 0.290 -5.548 -9.563 201 HD13 LEU 25 3HD1 LEU 25 1.985 -5.770 -10.002 202 HD21 LEU 25 3HD2 LEU 25 0.265 -4.559 -6.630 203 HD22 LEU 25 1HD2 LEU 25 1.517 -5.793 -6.486 204 HD23 LEU 25 2HD2 LEU 25 0.197 -6.004 -7.637 205 H MET 26 H MET 26 2.823 -4.513 -5.412 206 HA MET 26 HA MET 26 0.735 -2.895 -4.724 207 HB2 MET 26 2HB MET 26 2.916 -4.269 -3.230 208 HB3 MET 26 1HB MET 26 1.887 -3.175 -2.305 209 HG2 MET 26 2HG MET 26 -0.116 -4.364 -3.129 210 HG3 MET 26 1HG MET 26 0.918 -5.468 -4.038 211 HE1 MET 26 3HE MET 26 -0.456 -4.312 -0.664 212 HE2 MET 26 1HE MET 26 -0.565 -5.910 0.088 213 HE3 MET 26 2HE MET 26 -1.321 -5.615 -1.475 214 H LYS 27 H LYS 27 4.154 -2.063 -4.067 215 HA LYS 27 HA LYS 27 4.025 0.252 -2.626 216 HB2 LYS 27 2HB LYS 27 5.665 -0.748 -4.887 217 HB3 LYS 27 1HB LYS 27 5.839 0.966 -4.510 218 HG2 LYS 27 2HG LYS 27 5.816 -0.403 -2.031 219 HG3 LYS 27 1HG LYS 27 6.903 -1.300 -3.091 220 HD2 LYS 27 2HD LYS 27 7.025 1.657 -2.443 221 HD3 LYS 27 1HD LYS 27 8.194 0.420 -1.975 222 HE2 LYS 27 2HE LYS 27 7.618 1.455 -4.770 223 HE3 LYS 27 1HE LYS 27 9.157 1.492 -3.887 224 HZ1 LYS 27 3HZ LYS 27 7.727 -0.848 -4.987 225 HZ2 LYS 27 1HZ LYS 27 8.857 -1.024 -3.734 226 HZ3 LYS 27 2HZ LYS 27 9.342 -0.385 -5.230 227 H ARG 28 H ARG 28 3.075 -0.037 -6.040 228 HA ARG 28 HA ARG 28 2.495 2.877 -6.159 229 HB2 ARG 28 2HB ARG 28 2.512 0.613 -8.170 230 HB3 ARG 28 1HB ARG 28 2.118 2.280 -8.578 231 HG2 ARG 28 2HG ARG 28 4.337 2.992 -7.712 232 HG3 ARG 28 1HG ARG 28 4.732 1.303 -7.393 233 HD2 ARG 28 2HD ARG 28 5.690 1.885 -9.550 234 HD3 ARG 28 1HD ARG 28 4.283 0.848 -9.863 235 HE ARG 28 HE ARG 28 3.161 3.347 -9.838 236 HH11 ARG 28 1HH2 ARG 28 5.926 1.979 -11.397 237 HH12 ARG 28 2HH2 ARG 28 5.826 3.025 -12.773 238 HH21 ARG 28 1HH1 ARG 28 3.023 4.716 -11.630 239 HH22 ARG 28 2HH1 ARG 28 4.188 4.573 -12.905 240 H LEU 29 H LEU 29 0.796 -0.029 -5.472 241 HA LEU 29 HA LEU 29 -1.782 1.269 -6.301 242 HB2 LEU 29 2HB LEU 29 -1.382 -1.668 -5.769 243 HB3 LEU 29 1HB LEU 29 -2.613 -0.888 -6.764 244 HG LEU 29 HG LEU 29 0.344 -0.845 -7.423 245 HD11 LEU 29 1HD1 LEU 29 -0.004 -2.695 -8.862 246 HD12 LEU 29 2HD1 LEU 29 -1.760 -2.555 -8.754 247 HD13 LEU 29 3HD1 LEU 29 -0.836 -3.150 -7.371 248 HD21 LEU 29 3HD2 LEU 29 -1.808 -0.535 -9.455 249 HD22 LEU 29 1HD2 LEU 29 -0.260 0.300 -9.323 250 HD23 LEU 29 2HD2 LEU 29 -1.621 0.798 -8.317 251 H CYS 30 H CYS 30 -0.574 -1.096 -3.884 252 HA CYS 30 HA CYS 30 -2.645 -0.044 -1.988 253 HB2 CYS 30 2HB CYS 30 -1.462 -2.697 -2.671 254 HB3 CYS 30 1HB CYS 30 -2.033 -2.454 -1.018 255 HA PRO 31 HA PRO 31 1.530 0.801 -0.105 256 HB2 PRO 31 2HB PRO 31 1.209 3.493 0.235 257 HB3 PRO 31 1HB PRO 31 1.870 2.785 -1.255 258 HG2 PRO 31 2HG PRO 31 -0.844 3.856 -0.704 259 HG3 PRO 31 1HG PRO 31 0.106 3.896 -2.198 260 HD2 PRO 31 2HD PRO 31 -1.980 2.153 -1.690 261 HD3 PRO 31 1HD PRO 31 -0.703 1.895 -2.902 262 H ARG 32 H ARG 32 -1.785 1.598 0.582 263 HA ARG 32 HA ARG 32 -1.565 2.552 3.267 264 HB2 ARG 32 2HB ARG 32 -3.543 2.672 1.748 265 HB3 ARG 32 1HB ARG 32 -3.751 0.929 1.923 266 HG2 ARG 32 2HG ARG 32 -4.321 1.106 4.207 267 HG3 ARG 32 1HG ARG 32 -3.652 2.733 4.340 268 HD2 ARG 32 2HD ARG 32 -5.731 3.543 3.931 269 HD3 ARG 32 1HD ARG 32 -5.623 2.854 2.302 270 HE ARG 32 HE ARG 32 -6.879 0.972 3.041 271 HH11 ARG 32 1HH2 ARG 32 -5.836 2.974 5.661 272 HH12 ARG 32 2HH2 ARG 32 -6.855 2.198 6.824 273 HH21 ARG 32 1HH1 ARG 32 -8.209 -0.044 4.555 274 HH22 ARG 32 2HH1 ARG 32 -8.192 0.491 6.202 275 H SER 33 H SER 33 -2.339 -0.746 2.084 276 HA SER 33 HA SER 33 -2.256 -1.977 4.681 277 HB2 SER 33 2HB SER 33 -2.090 -2.896 1.813 278 HB3 SER 33 1HB SER 33 -1.979 -4.052 3.142 279 HG SER 33 HG SER 33 -4.082 -2.208 2.625 280 H CYS 34 H CYS 34 0.128 -2.043 1.996 281 HA CYS 34 HA CYS 34 2.152 -3.428 3.499 282 HB2 CYS 34 2HB CYS 34 2.341 -1.584 1.093 283 HB3 CYS 34 1HB CYS 34 3.559 -2.762 1.584 284 H ASP 35 H ASP 35 1.064 -0.168 3.614 285 HA ASP 35 HA ASP 35 1.864 1.665 4.888 286 HB2 ASP 35 2HB ASP 35 2.695 -0.733 6.114 287 HB3 ASP 35 1HB ASP 35 4.134 0.294 6.079 288 H PHE 36 H PHE 36 2.939 0.992 2.184 289 HA PHE 36 HA PHE 36 5.781 1.407 2.088 290 HB2 PHE 36 2HB PHE 36 3.455 1.658 0.190 291 HB3 PHE 36 1HB PHE 36 5.086 2.104 -0.327 292 HD1 PHE 36 1HD PHE 36 6.806 0.202 1.025 293 HD2 PHE 36 2HD PHE 36 2.957 -0.427 -0.777 294 HE1 PHE 36 1HE PHE 36 7.358 -2.191 0.680 295 HE2 PHE 36 2HE PHE 36 3.511 -2.818 -1.125 296 HZ PHE 36 HZ PHE 36 5.710 -3.698 -0.394 297 H CYS 37 H CYS 37 3.028 3.635 2.168 298 HA CYS 37 HA CYS 37 4.212 6.034 1.326 299 HB2 CYS 37 2HB CYS 37 1.845 5.701 1.967 300 HB3 CYS 37 1HB CYS 37 2.329 5.526 3.657 301 HXT CYS 37 2H CYS 37 5.574 5.636 5.212 Start of MODEL 16 1 H1 TYR 1 H TYR 1 5.322 13.894 -3.468 2 HA TYR 1 HA TYR 1 5.031 11.464 -2.902 3 HB2 TYR 1 2HB TYR 1 5.087 13.667 -0.935 4 HB3 TYR 1 1HB TYR 1 4.612 12.106 -0.264 5 HD1 TYR 1 1HD TYR 1 6.824 12.521 -3.204 6 HD2 TYR 1 2HD TYR 1 6.621 11.681 1.004 7 HE1 TYR 1 1HE TYR 1 9.193 11.789 -3.235 8 HE2 TYR 1 2HE TYR 1 8.990 10.949 0.972 9 HH TYR 1 HH TYR 1 11.047 11.446 -0.514 10 H GLY 2 H GLY 2 3.078 10.566 -3.746 11 HA2 GLY 2 2HA GLY 2 0.732 10.781 -1.902 12 HA3 GLY 2 1HA GLY 2 0.528 10.734 -3.654 13 H CYS 3 H CYS 3 -0.171 8.819 -1.311 14 HA CYS 3 HA CYS 3 0.602 6.361 -2.791 15 HB2 CYS 3 2HB CYS 3 1.184 6.922 0.135 16 HB3 CYS 3 1HB CYS 3 1.412 5.361 -0.650 17 H LEU 4 H LEU 4 -1.624 6.005 -3.241 18 HA LEU 4 HA LEU 4 -3.294 5.363 -0.835 19 HB2 LEU 4 2HB LEU 4 -5.190 6.369 -2.019 20 HB3 LEU 4 1HB LEU 4 -3.877 7.541 -1.911 21 HG LEU 4 HG LEU 4 -3.753 5.826 -4.301 22 HD11 LEU 4 1HD1 LEU 4 -5.564 7.388 -5.365 23 HD12 LEU 4 2HD1 LEU 4 -6.143 7.553 -3.707 24 HD13 LEU 4 3HD1 LEU 4 -6.085 5.962 -4.467 25 HD21 LEU 4 3HD2 LEU 4 -3.138 8.558 -3.424 26 HD22 LEU 4 1HD2 LEU 4 -3.830 8.494 -5.045 27 HD23 LEU 4 2HD2 LEU 4 -2.367 7.582 -4.674 28 H ASP 5 H ASP 5 -4.643 3.558 -1.076 29 HA ASP 5 HA ASP 5 -3.805 1.601 -3.076 30 HB2 ASP 5 2HB ASP 5 -5.387 0.183 -1.820 31 HB3 ASP 5 1HB ASP 5 -4.353 1.082 -0.708 32 H ARG 6 H ARG 6 -4.992 0.971 -4.899 33 HA ARG 6 HA ARG 6 -7.383 2.681 -5.508 34 HB2 ARG 6 2HB ARG 6 -6.791 1.940 -7.881 35 HB3 ARG 6 1HB ARG 6 -5.595 2.956 -7.077 36 HG2 ARG 6 2HG ARG 6 -4.177 1.119 -6.620 37 HG3 ARG 6 1HG ARG 6 -5.452 -0.055 -6.953 38 HD2 ARG 6 2HD ARG 6 -5.244 1.454 -9.317 39 HD3 ARG 6 1HD ARG 6 -3.570 1.150 -8.809 40 HE ARG 6 HE ARG 6 -4.866 -1.277 -8.398 41 HH11 ARG 6 1HH2 ARG 6 -4.425 0.923 -11.024 42 HH12 ARG 6 2HH2 ARG 6 -4.445 -0.315 -12.233 43 HH21 ARG 6 1HH1 ARG 6 -4.896 -2.899 -9.964 44 HH22 ARG 6 2HH1 ARG 6 -4.713 -2.478 -11.634 45 H ILE 7 H ILE 7 -6.717 -0.331 -4.344 46 HA ILE 7 HA ILE 7 -9.308 -1.386 -5.354 47 HB ILE 7 HB ILE 7 -8.191 -3.546 -5.873 48 HG12 ILE 7 2HG1 ILE 7 -5.690 -1.955 -5.217 49 HG13 ILE 7 1HG1 ILE 7 -6.282 -3.386 -4.373 50 HG21 ILE 7 1HG2 ILE 7 -6.933 -1.170 -7.282 51 HG22 ILE 7 2HG2 ILE 7 -8.529 -1.826 -7.640 52 HG23 ILE 7 3HG2 ILE 7 -7.088 -2.800 -7.935 53 HD11 ILE 7 3HD1 ILE 7 -5.881 -3.698 -7.294 54 HD12 ILE 7 1HD1 ILE 7 -5.523 -4.817 -5.979 55 HD13 ILE 7 2HD1 ILE 7 -4.416 -3.491 -6.335 56 H PHE 8 H PHE 8 -10.049 -3.221 -4.006 57 HA PHE 8 HA PHE 8 -9.185 -2.886 -1.187 58 HB2 PHE 8 2HB PHE 8 -11.292 -4.265 -0.834 59 HB3 PHE 8 1HB PHE 8 -11.539 -2.722 -1.658 60 HD1 PHE 8 2HD PHE 8 -11.025 -6.371 -2.282 61 HD2 PHE 8 1HD PHE 8 -12.487 -2.632 -3.810 62 HE1 PHE 8 2HE PHE 8 -12.011 -7.551 -4.228 63 HE2 PHE 8 1HE PHE 8 -13.470 -3.810 -5.757 64 HZ PHE 8 HZ PHE 8 -13.234 -6.269 -5.965 65 H VAL 9 H VAL 9 -7.652 -4.448 -3.325 66 HA VAL 9 HA VAL 9 -7.804 -7.202 -2.199 67 HB VAL 9 HB VAL 9 -6.199 -6.092 -4.524 68 HG11 VAL 9 1HG1 VAL 9 -5.488 -8.299 -3.609 69 HG12 VAL 9 2HG1 VAL 9 -6.126 -8.427 -5.249 70 HG13 VAL 9 3HG1 VAL 9 -7.122 -8.909 -3.875 71 HG21 VAL 9 3HG2 VAL 9 -8.567 -5.660 -4.920 72 HG22 VAL 9 1HG2 VAL 9 -8.980 -7.308 -4.444 73 HG23 VAL 9 2HG2 VAL 9 -8.061 -7.021 -5.922 74 H CYS 10 H CYS 10 -6.267 -4.400 -1.394 75 HA CYS 10 HA CYS 10 -3.501 -5.128 -1.189 76 HB2 CYS 10 2HB CYS 10 -5.031 -3.406 0.781 77 HB3 CYS 10 1HB CYS 10 -3.349 -3.245 0.278 78 H THR 11 H THR 11 -6.238 -5.514 1.068 79 HA THR 11 HA THR 11 -4.782 -6.674 3.236 80 HB THR 11 HB THR 11 -7.569 -7.544 2.630 81 HG1 THR 11 1HG THR 11 -8.226 -5.354 3.217 82 HG21 THR 11 3HG2 THR 11 -6.185 -7.714 4.844 83 HG22 THR 11 1HG2 THR 11 -7.879 -7.231 4.924 84 HG23 THR 11 2HG2 THR 11 -6.609 -6.012 5.028 85 H SER 12 H SER 12 -6.891 -8.376 0.878 86 HA SER 12 HA SER 12 -6.211 -11.017 1.490 87 HB2 SER 12 2HB SER 12 -7.028 -9.503 -0.959 88 HB3 SER 12 1HB SER 12 -6.530 -11.180 -1.163 89 HG SER 12 HG SER 12 -8.045 -11.562 0.674 90 H TRP 13 H TRP 13 -4.312 -8.597 -0.186 91 HA TRP 13 HA TRP 13 -2.317 -10.505 -1.195 92 HB2 TRP 13 2HB TRP 13 -2.719 -7.519 -1.105 93 HB3 TRP 13 1HB TRP 13 -1.175 -8.194 -1.628 94 HD1 TRP 13 HD TRP 13 -3.131 -10.784 -2.840 95 HE1 TRP 13 1HE TRP 13 -3.994 -10.410 -5.241 96 HE3 TRP 13 3HE TRP 13 -2.472 -5.745 -3.230 97 HZ2 TRP 13 2HZ TRP 13 -4.356 -8.248 -7.085 98 HZ3 TRP 13 3HZ TRP 13 -3.091 -4.544 -5.313 99 HH2 TRP 13 HH TRP 13 -4.031 -5.789 -7.237 100 H ALA 14 H ALA 14 -2.187 -7.759 1.114 101 HA ALA 14 HA ALA 14 0.354 -8.154 2.186 102 HB1 ALA 14 1HB ALA 14 -1.750 -7.558 4.163 103 HB2 ALA 14 2HB ALA 14 -1.873 -6.606 2.684 104 HB3 ALA 14 3HB ALA 14 -0.391 -6.563 3.640 105 H ARG 15 H ARG 15 -2.568 -10.028 2.761 106 HA ARG 15 HA ARG 15 -1.645 -11.435 5.112 107 HB2 ARG 15 2HB ARG 15 -3.938 -11.235 3.425 108 HB3 ARG 15 1HB ARG 15 -3.510 -12.944 3.531 109 HG2 ARG 15 2HG ARG 15 -3.256 -12.418 6.102 110 HG3 ARG 15 1HG ARG 15 -4.308 -11.054 5.723 111 HD2 ARG 15 2HD ARG 15 -5.394 -13.356 4.422 112 HD3 ARG 15 1HD ARG 15 -5.064 -13.787 6.112 113 HE ARG 15 HE ARG 15 -6.181 -11.292 6.351 114 HH11 ARG 15 1HH2 ARG 15 -7.066 -14.167 4.650 115 HH12 ARG 15 2HH2 ARG 15 -8.767 -13.877 4.787 116 HH21 ARG 15 1HH1 ARG 15 -8.398 -10.907 6.534 117 HH22 ARG 15 2HH1 ARG 15 -9.521 -12.036 5.851 118 H LYS 16 H LYS 16 -0.542 -11.524 1.939 119 HA LYS 16 HA LYS 16 0.370 -14.372 2.215 120 HB2 LYS 16 2HB LYS 16 -1.072 -14.158 0.328 121 HB3 LYS 16 1HB LYS 16 -0.346 -12.622 -0.146 122 HG2 LYS 16 2HG LYS 16 0.482 -14.371 -1.624 123 HG3 LYS 16 1HG LYS 16 1.801 -13.825 -0.589 124 HD2 LYS 16 2HD LYS 16 0.805 -15.800 0.965 125 HD3 LYS 16 1HD LYS 16 0.378 -16.435 -0.626 126 HE2 LYS 16 2HE LYS 16 3.165 -15.396 -0.083 127 HE3 LYS 16 1HE LYS 16 2.717 -17.068 0.306 128 HZ1 LYS 16 3HZ LYS 16 1.961 -15.944 -2.303 129 HZ2 LYS 16 1HZ LYS 16 2.259 -17.558 -1.876 130 HZ3 LYS 16 2HZ LYS 16 3.557 -16.479 -2.072 131 H GLY 17 H GLY 17 1.373 -11.129 2.251 132 HA2 GLY 17 2HA GLY 17 3.734 -10.696 2.865 133 HA3 GLY 17 1HA GLY 17 4.194 -11.982 1.744 134 H PHE 18 H PHE 18 1.751 -10.461 0.206 135 HA PHE 18 HA PHE 18 3.087 -9.410 -1.955 136 HB2 PHE 18 2HB PHE 18 0.528 -9.396 -0.882 137 HB3 PHE 18 1HB PHE 18 0.917 -7.686 -1.011 138 HD1 PHE 18 2HD PHE 18 2.544 -7.445 -3.381 139 HD2 PHE 18 1HD PHE 18 -0.826 -10.007 -2.671 140 HE1 PHE 18 2HE PHE 18 2.080 -7.513 -5.819 141 HE2 PHE 18 1HE PHE 18 -1.288 -10.079 -5.105 142 HZ PHE 18 HZ PHE 18 0.161 -8.829 -6.679 143 H CYS 19 H CYS 19 2.815 -7.919 1.244 144 HA CYS 19 HA CYS 19 3.605 -5.266 0.536 145 HB2 CYS 19 2HB CYS 19 4.004 -6.868 3.078 146 HB3 CYS 19 1HB CYS 19 4.131 -5.113 2.957 147 H ASP 20 H ASP 20 5.409 -8.164 0.495 148 HA ASP 20 HA ASP 20 7.955 -6.581 0.377 149 HB2 ASP 20 2HB ASP 20 7.238 -9.157 1.783 150 HB3 ASP 20 1HB ASP 20 8.915 -8.773 1.384 151 H VAL 21 H VAL 21 6.782 -9.901 -0.246 152 HA VAL 21 HA VAL 21 8.507 -10.745 -2.220 153 HB VAL 21 HB VAL 21 5.598 -11.094 -1.615 154 HG11 VAL 21 1HG1 VAL 21 6.894 -11.781 -4.215 155 HG12 VAL 21 2HG1 VAL 21 5.212 -11.373 -3.869 156 HG13 VAL 21 3HG1 VAL 21 5.823 -12.986 -3.498 157 HG21 VAL 21 3HG2 VAL 21 8.107 -12.421 -1.125 158 HG22 VAL 21 1HG2 VAL 21 7.009 -13.529 -1.948 159 HG23 VAL 21 2HG2 VAL 21 6.522 -12.768 -0.433 160 H ARG 22 H ARG 22 5.349 -9.312 -3.123 161 HA ARG 22 HA ARG 22 6.562 -8.420 -5.693 162 HB2 ARG 22 2HB ARG 22 3.918 -9.260 -4.667 163 HB3 ARG 22 1HB ARG 22 3.879 -7.961 -5.860 164 HG2 ARG 22 2HG ARG 22 5.706 -9.668 -6.980 165 HG3 ARG 22 1HG ARG 22 4.599 -10.798 -6.200 166 HD2 ARG 22 2HD ARG 22 3.178 -8.635 -7.573 167 HD3 ARG 22 1HD ARG 22 4.174 -9.609 -8.673 168 HE ARG 22 HE ARG 22 1.804 -10.545 -7.314 169 HH11 ARG 22 1HH2 ARG 22 5.009 -11.405 -8.272 170 HH12 ARG 22 2HH2 ARG 22 4.656 -13.096 -8.394 171 HH21 ARG 22 1HH1 ARG 22 1.332 -12.749 -7.471 172 HH22 ARG 22 2HH1 ARG 22 2.578 -13.857 -7.940 173 H GLN 23 H GLN 23 6.087 -7.105 -2.698 174 HA GLN 23 HA GLN 23 4.805 -4.793 -2.497 175 HB2 GLN 23 2HB GLN 23 6.646 -5.493 -1.038 176 HB3 GLN 23 1HB GLN 23 7.818 -5.056 -2.284 177 HG2 GLN 23 2HG GLN 23 6.104 -2.808 -1.873 178 HG3 GLN 23 1HG GLN 23 6.655 -3.367 -0.292 179 HE21 GLN 23 1HE2 GLN 23 7.693 -1.899 -3.316 180 HE22 GLN 23 2HE2 GLN 23 9.305 -1.638 -2.854 181 H ARG 24 H ARG 24 7.558 -5.073 -4.769 182 HA ARG 24 HA ARG 24 7.680 -2.395 -5.661 183 HB2 ARG 24 2HB ARG 24 8.327 -5.108 -6.725 184 HB3 ARG 24 1HB ARG 24 8.368 -3.761 -7.863 185 HG2 ARG 24 2HG ARG 24 10.069 -2.650 -6.685 186 HG3 ARG 24 1HG ARG 24 9.755 -3.547 -5.198 187 HD2 ARG 24 2HD ARG 24 10.962 -4.668 -7.751 188 HD3 ARG 24 1HD ARG 24 11.795 -4.438 -6.201 189 HE ARG 24 HE ARG 24 9.681 -5.957 -5.428 190 HH11 ARG 24 1HH2 ARG 24 11.891 -6.210 -8.075 191 HH12 ARG 24 2HH2 ARG 24 11.762 -7.932 -8.181 192 HH21 ARG 24 1HH1 ARG 24 9.511 -8.199 -5.559 193 HH22 ARG 24 2HH1 ARG 24 10.413 -9.057 -6.763 194 H LEU 25 H LEU 25 5.137 -4.676 -6.136 195 HA LEU 25 HA LEU 25 4.123 -3.272 -8.557 196 HB2 LEU 25 2HB LEU 25 4.248 -5.709 -8.589 197 HB3 LEU 25 1HB LEU 25 3.320 -5.804 -7.092 198 HG LEU 25 HG LEU 25 1.941 -4.204 -9.094 199 HD11 LEU 25 1HD1 LEU 25 3.331 -6.461 -10.111 200 HD12 LEU 25 2HD1 LEU 25 2.106 -5.494 -10.932 201 HD13 LEU 25 3HD1 LEU 25 1.630 -6.917 -10.004 202 HD21 LEU 25 3HD2 LEU 25 0.563 -6.603 -8.441 203 HD22 LEU 25 1HD2 LEU 25 0.296 -4.993 -7.772 204 HD23 LEU 25 2HD2 LEU 25 1.426 -6.097 -6.988 205 H MET 26 H MET 26 2.909 -4.344 -5.357 206 HA MET 26 HA MET 26 0.544 -2.609 -5.602 207 HB2 MET 26 2HB MET 26 0.133 -3.590 -3.288 208 HB3 MET 26 1HB MET 26 0.299 -4.775 -4.583 209 HG2 MET 26 2HG MET 26 2.182 -5.645 -3.684 210 HG3 MET 26 1HG MET 26 2.866 -4.052 -3.370 211 HE1 MET 26 3HE MET 26 0.075 -6.428 -2.499 212 HE2 MET 26 1HE MET 26 -0.765 -4.945 -2.021 213 HE3 MET 26 2HE MET 26 -0.312 -6.137 -0.806 214 H LYS 27 H LYS 27 3.412 -1.494 -5.357 215 HA LYS 27 HA LYS 27 3.579 -0.213 -2.757 216 HB2 LYS 27 2HB LYS 27 5.183 -0.668 -4.994 217 HB3 LYS 27 1HB LYS 27 4.962 1.081 -4.978 218 HG2 LYS 27 2HG LYS 27 5.478 0.821 -2.403 219 HG3 LYS 27 1HG LYS 27 6.245 -0.681 -2.919 220 HD2 LYS 27 2HD LYS 27 8.060 0.569 -3.418 221 HD3 LYS 27 1HD LYS 27 7.132 1.180 -4.787 222 HE2 LYS 27 2HE LYS 27 6.345 3.077 -3.503 223 HE3 LYS 27 1HE LYS 27 7.052 2.418 -2.014 224 HZ1 LYS 27 3HZ LYS 27 8.888 3.526 -2.599 225 HZ2 LYS 27 1HZ LYS 27 8.340 3.803 -4.179 226 HZ3 LYS 27 2HZ LYS 27 9.108 2.337 -3.793 227 H ARG 28 H ARG 28 2.331 0.733 -5.943 228 HA ARG 28 HA ARG 28 1.612 3.423 -4.890 229 HB2 ARG 28 2HB ARG 28 1.413 2.259 -7.679 230 HB3 ARG 28 1HB ARG 28 1.365 3.962 -7.238 231 HG2 ARG 28 2HG ARG 28 3.647 4.053 -6.788 232 HG3 ARG 28 1HG ARG 28 3.750 2.327 -6.441 233 HD2 ARG 28 2HD ARG 28 3.753 1.737 -8.727 234 HD3 ARG 28 1HD ARG 28 3.063 3.294 -9.221 235 HE ARG 28 HE ARG 28 5.607 3.614 -7.854 236 HH11 ARG 28 1HH2 ARG 28 4.038 2.868 -10.842 237 HH12 ARG 28 2HH2 ARG 28 5.373 3.380 -11.819 238 HH21 ARG 28 1HH1 ARG 28 7.355 4.282 -9.123 239 HH22 ARG 28 2HH1 ARG 28 7.246 4.177 -10.849 240 H LEU 29 H LEU 29 0.105 0.375 -5.744 241 HA LEU 29 HA LEU 29 -2.573 1.715 -5.806 242 HB2 LEU 29 2HB LEU 29 -3.233 -0.510 -6.830 243 HB3 LEU 29 1HB LEU 29 -2.054 0.419 -7.761 244 HG LEU 29 HG LEU 29 -0.735 -1.280 -5.813 245 HD11 LEU 29 1HD1 LEU 29 -1.549 -3.209 -7.694 246 HD12 LEU 29 2HD1 LEU 29 -3.033 -2.409 -7.172 247 HD13 LEU 29 3HD1 LEU 29 -1.968 -3.159 -5.981 248 HD21 LEU 29 3HD2 LEU 29 -0.643 -0.621 -8.714 249 HD22 LEU 29 1HD2 LEU 29 0.057 -2.167 -8.237 250 HD23 LEU 29 2HD2 LEU 29 0.665 -0.670 -7.531 251 H CYS 30 H CYS 30 -0.712 0.315 -3.474 252 HA CYS 30 HA CYS 30 -3.080 -0.401 -1.872 253 HB2 CYS 30 2HB CYS 30 -1.323 -2.317 -3.269 254 HB3 CYS 30 1HB CYS 30 -1.647 -2.718 -1.579 255 HA PRO 31 HA PRO 31 0.959 0.833 0.286 256 HB2 PRO 31 2HB PRO 31 0.456 3.477 0.735 257 HB3 PRO 31 1HB PRO 31 1.279 2.884 -0.724 258 HG2 PRO 31 2HG PRO 31 -1.534 3.766 -0.360 259 HG3 PRO 31 1HG PRO 31 -0.455 3.961 -1.753 260 HD2 PRO 31 2HD PRO 31 -2.460 2.078 -1.571 261 HD3 PRO 31 1HD PRO 31 -1.044 1.955 -2.640 262 H ARG 32 H ARG 32 -2.423 1.716 0.849 263 HA ARG 32 HA ARG 32 -2.257 2.373 3.612 264 HB2 ARG 32 2HB ARG 32 -4.163 2.527 1.835 265 HB3 ARG 32 1HB ARG 32 -4.565 0.894 2.366 266 HG2 ARG 32 2HG ARG 32 -5.876 2.411 3.702 267 HG3 ARG 32 1HG ARG 32 -4.597 1.780 4.740 268 HD2 ARG 32 2HD ARG 32 -4.436 4.074 5.184 269 HD3 ARG 32 1HD ARG 32 -3.281 3.920 3.844 270 HE ARG 32 HE ARG 32 -4.794 5.134 2.505 271 HH11 ARG 32 1HH2 ARG 32 -6.377 3.675 5.207 272 HH12 ARG 32 2HH2 ARG 32 -7.918 4.378 4.847 273 HH21 ARG 32 1HH1 ARG 32 -6.799 6.047 2.022 274 HH22 ARG 32 2HH1 ARG 32 -8.158 5.714 3.044 275 H SER 33 H SER 33 -2.407 -0.782 2.001 276 HA SER 33 HA SER 33 -2.881 -2.247 4.489 277 HB2 SER 33 2HB SER 33 -3.543 -2.853 2.087 278 HB3 SER 33 1HB SER 33 -1.852 -3.292 1.840 279 HG SER 33 HG SER 33 -3.515 -4.301 3.915 280 H CYS 34 H CYS 34 -0.073 -1.929 2.272 281 HA CYS 34 HA CYS 34 1.678 -3.214 4.286 282 HB2 CYS 34 2HB CYS 34 2.249 -2.078 1.533 283 HB3 CYS 34 1HB CYS 34 3.280 -3.183 2.443 284 H ASP 35 H ASP 35 0.476 -0.205 4.075 285 HA ASP 35 HA ASP 35 1.242 1.936 4.733 286 HB2 ASP 35 2HB ASP 35 1.768 0.130 6.615 287 HB3 ASP 35 1HB ASP 35 3.440 0.514 6.196 288 H PHE 36 H PHE 36 2.219 1.262 2.206 289 HA PHE 36 HA PHE 36 5.087 1.365 1.970 290 HB2 PHE 36 2HB PHE 36 2.769 2.028 0.136 291 HB3 PHE 36 1HB PHE 36 4.451 2.044 -0.404 292 HD1 PHE 36 2HD PHE 36 5.483 -0.273 1.270 293 HD2 PHE 36 1HD PHE 36 1.924 0.168 -1.098 294 HE1 PHE 36 2HE PHE 36 5.397 -2.725 0.935 295 HE2 PHE 36 1HE PHE 36 1.842 -2.288 -1.418 296 HZ PHE 36 HZ PHE 36 3.577 -3.726 -0.415 297 H CYS 37 H CYS 37 2.828 3.730 2.913 298 HA CYS 37 HA CYS 37 4.901 5.850 2.636 299 HB2 CYS 37 2HB CYS 37 2.328 5.602 1.197 300 HB3 CYS 37 1HB CYS 37 2.627 7.190 1.911 301 HXT CYS 37 2H CYS 37 2.667 5.487 5.844 Start of MODEL 17 1 H1 TYR 1 H TYR 1 -0.493 12.528 -7.129 2 HA TYR 1 HA TYR 1 1.983 12.123 -6.342 3 HB2 TYR 1 2HB TYR 1 2.527 14.308 -4.921 4 HB3 TYR 1 1HB TYR 1 2.888 14.243 -6.643 5 HD1 TYR 1 2HD TYR 1 0.521 15.520 -4.097 6 HD2 TYR 1 1HD TYR 1 1.639 15.550 -8.244 7 HE1 TYR 1 2HE TYR 1 -0.987 17.449 -4.490 8 HE2 TYR 1 1HE TYR 1 0.134 17.481 -8.638 9 HH TYR 1 HH TYR 1 -0.900 19.296 -7.362 10 H GLY 2 H GLY 2 1.852 10.957 -4.468 11 HA2 GLY 2 2HA GLY 2 1.211 11.348 -1.959 12 HA3 GLY 2 1HA GLY 2 -0.414 11.543 -2.622 13 H CYS 3 H CYS 3 1.201 9.369 -0.964 14 HA CYS 3 HA CYS 3 0.856 6.956 -2.589 15 HB2 CYS 3 2HB CYS 3 1.635 5.872 -0.524 16 HB3 CYS 3 1HB CYS 3 2.625 7.289 -0.871 17 H LEU 4 H LEU 4 -0.951 5.669 -2.646 18 HA LEU 4 HA LEU 4 -2.849 5.473 -0.455 19 HB2 LEU 4 2HB LEU 4 -4.607 6.792 -1.319 20 HB3 LEU 4 1HB LEU 4 -3.180 7.775 -1.634 21 HG LEU 4 HG LEU 4 -3.298 6.175 -3.880 22 HD11 LEU 4 1HD1 LEU 4 -5.387 5.383 -4.148 23 HD12 LEU 4 2HD1 LEU 4 -5.980 7.043 -4.181 24 HD13 LEU 4 3HD1 LEU 4 -5.907 6.162 -2.654 25 HD21 LEU 4 3HD2 LEU 4 -3.601 8.184 -5.001 26 HD22 LEU 4 1HD2 LEU 4 -3.105 8.785 -3.420 27 HD23 LEU 4 2HD2 LEU 4 -4.813 8.761 -3.856 28 H ASP 5 H ASP 5 -4.396 3.809 -0.857 29 HA ASP 5 HA ASP 5 -3.593 1.806 -2.781 30 HB2 ASP 5 2HB ASP 5 -5.371 0.560 -1.747 31 HB3 ASP 5 1HB ASP 5 -4.634 1.540 -0.478 32 H ARG 6 H ARG 6 -4.453 1.373 -4.797 33 HA ARG 6 HA ARG 6 -6.418 3.323 -5.889 34 HB2 ARG 6 2HB ARG 6 -4.514 1.275 -7.055 35 HB3 ARG 6 1HB ARG 6 -5.653 2.188 -8.045 36 HG2 ARG 6 2HG ARG 6 -4.606 4.254 -6.744 37 HG3 ARG 6 1HG ARG 6 -3.240 3.153 -6.560 38 HD2 ARG 6 2HD ARG 6 -2.684 4.084 -8.612 39 HD3 ARG 6 1HD ARG 6 -3.731 2.770 -9.187 40 HE ARG 6 HE ARG 6 -5.486 4.848 -8.587 41 HH11 ARG 6 1HH2 ARG 6 -2.701 4.385 -10.575 42 HH12 ARG 6 2HH2 ARG 6 -3.198 5.541 -11.766 43 HH21 ARG 6 1HH1 ARG 6 -6.144 6.362 -10.127 44 HH22 ARG 6 2HH1 ARG 6 -5.147 6.662 -11.511 45 H ILE 7 H ILE 7 -6.363 0.198 -4.568 46 HA ILE 7 HA ILE 7 -9.043 -0.364 -5.760 47 HB ILE 7 HB ILE 7 -8.323 -2.707 -6.133 48 HG12 ILE 7 2HG1 ILE 7 -5.707 -1.631 -5.050 49 HG13 ILE 7 1HG1 ILE 7 -6.621 -3.029 -4.487 50 HG21 ILE 7 1HG2 ILE 7 -7.943 -0.701 -7.789 51 HG22 ILE 7 2HG2 ILE 7 -7.210 -2.267 -8.141 52 HG23 ILE 7 3HG2 ILE 7 -6.236 -0.976 -7.435 53 HD11 ILE 7 3HD1 ILE 7 -5.383 -4.319 -5.845 54 HD12 ILE 7 1HD1 ILE 7 -4.605 -2.903 -6.552 55 HD13 ILE 7 2HD1 ILE 7 -6.123 -3.501 -7.219 56 H PHE 8 H PHE 8 -9.290 -2.921 -4.450 57 HA PHE 8 HA PHE 8 -9.331 -2.023 -1.583 58 HB2 PHE 8 2HB PHE 8 -11.540 -2.160 -2.620 59 HB3 PHE 8 1HB PHE 8 -11.199 -3.799 -3.189 60 HD1 PHE 8 1HD PHE 8 -10.521 -2.136 0.096 61 HD2 PHE 8 2HD PHE 8 -12.593 -5.260 -2.000 62 HE1 PHE 8 1HE PHE 8 -11.325 -3.052 2.255 63 HE2 PHE 8 2HE PHE 8 -13.398 -6.176 0.161 64 HZ PHE 8 HZ PHE 8 -12.765 -5.071 2.288 65 H VAL 9 H VAL 9 -8.494 -4.611 -3.801 66 HA VAL 9 HA VAL 9 -8.169 -6.677 -1.789 67 HB VAL 9 HB VAL 9 -8.586 -6.976 -4.227 68 HG11 VAL 9 1HG1 VAL 9 -7.165 -6.189 -5.813 69 HG12 VAL 9 2HG1 VAL 9 -5.741 -6.679 -4.895 70 HG13 VAL 9 3HG1 VAL 9 -6.548 -5.158 -4.522 71 HG21 VAL 9 3HG2 VAL 9 -7.801 -9.039 -3.764 72 HG22 VAL 9 1HG2 VAL 9 -6.704 -8.380 -2.551 73 HG23 VAL 9 2HG2 VAL 9 -6.194 -8.489 -4.235 74 H CYS 10 H CYS 10 -6.870 -4.655 -0.610 75 HA CYS 10 HA CYS 10 -3.960 -4.882 -1.242 76 HB2 CYS 10 2HB CYS 10 -5.301 -3.194 0.887 77 HB3 CYS 10 1HB CYS 10 -3.757 -2.903 0.089 78 H THR 11 H THR 11 -5.903 -4.814 1.776 79 HA THR 11 HA THR 11 -4.039 -6.088 3.456 80 HB THR 11 HB THR 11 -7.073 -6.168 3.395 81 HG1 THR 11 1HG THR 11 -6.830 -4.446 4.840 82 HG21 THR 11 3HG2 THR 11 -6.873 -7.659 5.074 83 HG22 THR 11 1HG2 THR 11 -6.217 -6.335 6.034 84 HG23 THR 11 2HG2 THR 11 -5.129 -7.424 5.174 85 H SER 12 H SER 12 -6.482 -7.539 1.302 86 HA SER 12 HA SER 12 -6.178 -10.256 2.099 87 HB2 SER 12 2HB SER 12 -7.607 -8.777 0.244 88 HB3 SER 12 1HB SER 12 -6.561 -9.763 -0.775 89 HG SER 12 HG SER 12 -7.632 -11.479 -0.185 90 H TRP 13 H TRP 13 -4.351 -8.260 -0.197 91 HA TRP 13 HA TRP 13 -2.687 -10.385 -1.227 92 HB2 TRP 13 2HB TRP 13 -2.777 -7.396 -1.181 93 HB3 TRP 13 1HB TRP 13 -1.259 -8.155 -1.651 94 HD1 TRP 13 HD TRP 13 -3.066 -10.698 -2.994 95 HE1 TRP 13 1HE TRP 13 -3.951 -10.271 -5.377 96 HE3 TRP 13 3HE TRP 13 -2.705 -5.617 -3.161 97 HZ2 TRP 13 2HZ TRP 13 -4.442 -8.053 -7.129 98 HZ3 TRP 13 3HZ TRP 13 -3.385 -4.369 -5.183 99 HH2 TRP 13 HH TRP 13 -4.255 -5.573 -7.168 100 H ALA 14 H ALA 14 -2.120 -7.841 1.238 101 HA ALA 14 HA ALA 14 0.492 -8.372 2.008 102 HB1 ALA 14 1HB ALA 14 -0.567 -6.614 3.112 103 HB2 ALA 14 2HB ALA 14 -0.556 -7.835 4.385 104 HB3 ALA 14 3HB ALA 14 -2.019 -7.561 3.438 105 H ARG 15 H ARG 15 -2.394 -10.276 2.818 106 HA ARG 15 HA ARG 15 -1.163 -11.985 4.773 107 HB2 ARG 15 2HB ARG 15 -3.639 -11.541 4.154 108 HB3 ARG 15 1HB ARG 15 -3.396 -12.742 2.885 109 HG2 ARG 15 2HG ARG 15 -2.315 -14.050 5.009 110 HG3 ARG 15 1HG ARG 15 -3.567 -13.106 5.819 111 HD2 ARG 15 2HD ARG 15 -5.303 -14.135 4.613 112 HD3 ARG 15 1HD ARG 15 -4.217 -14.648 3.306 113 HE ARG 15 HE ARG 15 -3.155 -15.930 5.486 114 HH11 ARG 15 1HH2 ARG 15 -6.342 -15.631 4.188 115 HH12 ARG 15 2HH2 ARG 15 -6.854 -17.187 4.749 116 HH21 ARG 15 1HH1 ARG 15 -3.813 -17.962 6.215 117 HH22 ARG 15 2HH1 ARG 15 -5.425 -18.505 5.891 118 H LYS 16 H LYS 16 -0.892 -11.845 1.328 119 HA LYS 16 HA LYS 16 0.077 -14.658 1.155 120 HB2 LYS 16 2HB LYS 16 -1.237 -12.715 -0.549 121 HB3 LYS 16 1HB LYS 16 0.210 -13.347 -1.336 122 HG2 LYS 16 2HG LYS 16 -0.618 -15.675 -0.676 123 HG3 LYS 16 1HG LYS 16 -2.155 -14.904 -0.278 124 HD2 LYS 16 2HD LYS 16 -2.278 -13.993 -2.581 125 HD3 LYS 16 1HD LYS 16 -0.772 -14.823 -2.975 126 HE2 LYS 16 2HE LYS 16 -2.082 -16.580 -3.588 127 HE3 LYS 16 1HE LYS 16 -2.363 -16.830 -1.854 128 HZ1 LYS 16 3HZ LYS 16 -4.083 -15.603 -3.841 129 HZ2 LYS 16 1HZ LYS 16 -3.992 -14.772 -2.367 130 HZ3 LYS 16 2HZ LYS 16 -4.490 -16.396 -2.395 131 H GLY 17 H GLY 17 1.331 -11.605 1.770 132 HA2 GLY 17 2HA GLY 17 3.692 -11.238 2.148 133 HA3 GLY 17 1HA GLY 17 4.047 -12.524 0.988 134 H PHE 18 H PHE 18 1.585 -10.505 -0.135 135 HA PHE 18 HA PHE 18 2.918 -9.603 -2.441 136 HB2 PHE 18 2HB PHE 18 0.432 -9.304 -1.094 137 HB3 PHE 18 1HB PHE 18 0.969 -7.688 -1.546 138 HD1 PHE 18 2HD PHE 18 1.385 -7.112 -3.909 139 HD2 PHE 18 1HD PHE 18 -0.137 -10.962 -2.771 140 HE1 PHE 18 2HE PHE 18 0.723 -7.543 -6.258 141 HE2 PHE 18 1HE PHE 18 -0.802 -11.394 -5.122 142 HZ PHE 18 HZ PHE 18 -0.372 -9.683 -6.866 143 H CYS 19 H CYS 19 2.727 -8.119 0.777 144 HA CYS 19 HA CYS 19 4.046 -5.640 -0.032 145 HB2 CYS 19 2HB CYS 19 3.638 -6.868 2.713 146 HB3 CYS 19 1HB CYS 19 3.917 -5.165 2.353 147 H ASP 20 H ASP 20 5.220 -8.726 0.211 148 HA ASP 20 HA ASP 20 7.898 -7.799 1.199 149 HB2 ASP 20 2HB ASP 20 6.374 -9.651 2.343 150 HB3 ASP 20 1HB ASP 20 7.067 -10.678 1.083 151 H VAL 21 H VAL 21 6.497 -10.333 -0.931 152 HA VAL 21 HA VAL 21 8.924 -10.350 -2.599 153 HB VAL 21 HB VAL 21 7.555 -12.364 -1.961 154 HG11 VAL 21 1HG1 VAL 21 5.397 -12.704 -3.078 155 HG12 VAL 21 2HG1 VAL 21 5.536 -11.131 -3.862 156 HG13 VAL 21 3HG1 VAL 21 5.350 -11.230 -2.110 157 HG21 VAL 21 3HG2 VAL 21 8.648 -13.121 -3.795 158 HG22 VAL 21 1HG2 VAL 21 8.433 -11.591 -4.644 159 HG23 VAL 21 2HG2 VAL 21 7.159 -12.810 -4.687 160 H ARG 22 H ARG 22 5.541 -9.284 -2.843 161 HA ARG 22 HA ARG 22 6.059 -8.159 -5.553 162 HB2 ARG 22 2HB ARG 22 3.953 -9.522 -4.325 163 HB3 ARG 22 1HB ARG 22 3.389 -7.854 -4.406 164 HG2 ARG 22 2HG ARG 22 2.750 -8.988 -6.459 165 HG3 ARG 22 1HG ARG 22 4.014 -7.815 -6.832 166 HD2 ARG 22 2HD ARG 22 4.571 -9.902 -7.962 167 HD3 ARG 22 1HD ARG 22 5.699 -9.705 -6.606 168 HE ARG 22 HE ARG 22 4.613 -11.493 -5.486 169 HH11 ARG 22 1HH2 ARG 22 2.774 -10.323 -8.167 170 HH12 ARG 22 2HH2 ARG 22 1.652 -11.641 -8.136 171 HH21 ARG 22 1HH1 ARG 22 3.152 -13.209 -5.432 172 HH22 ARG 22 2HH1 ARG 22 1.865 -13.274 -6.588 173 H GLN 23 H GLN 23 6.392 -7.137 -2.414 174 HA GLN 23 HA GLN 23 5.092 -4.780 -1.950 175 HB2 GLN 23 2HB GLN 23 6.904 -4.238 -0.575 176 HB3 GLN 23 1HB GLN 23 7.102 -5.977 -0.788 177 HG2 GLN 23 2HG GLN 23 8.467 -4.232 -2.792 178 HG3 GLN 23 1HG GLN 23 9.113 -4.226 -1.159 179 HE21 GLN 23 1HE2 GLN 23 10.688 -5.778 -0.848 180 HE22 GLN 23 2HE2 GLN 23 10.759 -7.276 -1.642 181 H ARG 24 H ARG 24 7.430 -5.276 -4.544 182 HA ARG 24 HA ARG 24 7.940 -2.517 -5.155 183 HB2 ARG 24 2HB ARG 24 7.875 -4.971 -6.942 184 HB3 ARG 24 1HB ARG 24 8.719 -3.462 -7.292 185 HG2 ARG 24 2HG ARG 24 9.939 -3.838 -5.051 186 HG3 ARG 24 1HG ARG 24 9.328 -5.490 -5.141 187 HD2 ARG 24 2HD ARG 24 10.771 -4.278 -7.500 188 HD3 ARG 24 1HD ARG 24 11.675 -5.020 -6.164 189 HE ARG 24 HE ARG 24 9.447 -6.652 -7.150 190 HH11 ARG 24 1HH2 ARG 24 12.789 -5.811 -7.412 191 HH12 ARG 24 2HH2 ARG 24 13.246 -7.326 -8.113 192 HH21 ARG 24 1HH1 ARG 24 10.036 -8.628 -8.068 193 HH22 ARG 24 2HH1 ARG 24 11.692 -8.917 -8.483 194 H LEU 25 H LEU 25 5.157 -4.510 -5.664 195 HA LEU 25 HA LEU 25 4.082 -2.707 -7.771 196 HB2 LEU 25 2HB LEU 25 4.101 -5.210 -7.972 197 HB3 LEU 25 1HB LEU 25 3.009 -5.288 -6.589 198 HG LEU 25 HG LEU 25 1.935 -3.393 -8.426 199 HD11 LEU 25 1HD1 LEU 25 1.749 -5.792 -9.991 200 HD12 LEU 25 2HD1 LEU 25 3.452 -5.393 -9.766 201 HD13 LEU 25 3HD1 LEU 25 2.356 -4.210 -10.479 202 HD21 LEU 25 3HD2 LEU 25 1.146 -6.202 -7.595 203 HD22 LEU 25 1HD2 LEU 25 0.098 -5.122 -8.514 204 HD23 LEU 25 2HD2 LEU 25 0.593 -4.688 -6.878 205 H MET 26 H MET 26 2.578 -4.350 -4.967 206 HA MET 26 HA MET 26 0.354 -2.838 -4.498 207 HB2 MET 26 2HB MET 26 2.397 -4.162 -2.790 208 HB3 MET 26 1HB MET 26 1.232 -3.128 -1.964 209 HG2 MET 26 2HG MET 26 -0.067 -4.823 -3.944 210 HG3 MET 26 1HG MET 26 0.823 -5.777 -2.758 211 HE1 MET 26 3HE MET 26 -1.039 -6.641 -0.626 212 HE2 MET 26 1HE MET 26 -0.523 -5.360 0.471 213 HE3 MET 26 2HE MET 26 0.608 -6.032 -0.701 214 H LYS 27 H LYS 27 3.660 -1.780 -3.950 215 HA LYS 27 HA LYS 27 3.572 0.349 -2.249 216 HB2 LYS 27 2HB LYS 27 5.384 -0.563 -3.863 217 HB3 LYS 27 1HB LYS 27 4.770 0.642 -4.997 218 HG2 LYS 27 2HG LYS 27 6.345 1.943 -3.937 219 HG3 LYS 27 1HG LYS 27 4.996 2.209 -2.832 220 HD2 LYS 27 2HD LYS 27 6.359 1.439 -1.203 221 HD3 LYS 27 1HD LYS 27 6.125 -0.159 -1.914 222 HE2 LYS 27 2HE LYS 27 8.162 -0.081 -3.083 223 HE3 LYS 27 1HE LYS 27 8.238 1.692 -3.018 224 HZ1 LYS 27 3HZ LYS 27 8.713 -0.257 -0.856 225 HZ2 LYS 27 1HZ LYS 27 8.203 1.318 -0.484 226 HZ3 LYS 27 2HZ LYS 27 9.662 1.074 -1.320 227 H ARG 28 H ARG 28 2.467 0.582 -5.673 228 HA ARG 28 HA ARG 28 1.461 3.317 -5.073 229 HB2 ARG 28 2HB ARG 28 1.563 3.621 -7.427 230 HB3 ARG 28 1HB ARG 28 2.973 2.648 -7.020 231 HG2 ARG 28 2HG ARG 28 2.270 1.001 -8.373 232 HG3 ARG 28 1HG ARG 28 0.744 0.897 -7.500 233 HD2 ARG 28 2HD ARG 28 0.031 1.473 -9.667 234 HD3 ARG 28 1HD ARG 28 0.138 3.065 -8.890 235 HE ARG 28 HE ARG 28 1.956 3.538 -10.315 236 HH11 ARG 28 1HH2 ARG 28 1.517 0.135 -9.905 237 HH12 ARG 28 2HH2 ARG 28 2.773 -0.291 -11.018 238 HH21 ARG 28 1HH1 ARG 28 3.597 2.992 -11.768 239 HH22 ARG 28 2HH1 ARG 28 3.947 1.323 -12.076 240 H LEU 29 H LEU 29 0.160 0.112 -5.477 241 HA LEU 29 HA LEU 29 -2.519 1.298 -6.105 242 HB2 LEU 29 2HB LEU 29 -3.023 -1.129 -6.704 243 HB3 LEU 29 1HB LEU 29 -1.806 -0.329 -7.707 244 HG LEU 29 HG LEU 29 -0.657 -1.570 -5.325 245 HD11 LEU 29 1HD1 LEU 29 -1.378 -3.634 -7.311 246 HD12 LEU 29 2HD1 LEU 29 -2.729 -3.043 -6.345 247 HD13 LEU 29 3HD1 LEU 29 -1.317 -3.740 -5.550 248 HD21 LEU 29 3HD2 LEU 29 0.723 -2.637 -7.241 249 HD22 LEU 29 1HD2 LEU 29 0.816 -0.890 -7.042 250 HD23 LEU 29 2HD2 LEU 29 -0.199 -1.580 -8.307 251 H CYS 30 H CYS 30 -0.778 -0.360 -3.564 252 HA CYS 30 HA CYS 30 -3.176 -0.176 -1.846 253 HB2 CYS 30 2HB CYS 30 -2.059 -2.689 -3.016 254 HB3 CYS 30 1HB CYS 30 -2.668 -2.755 -1.363 255 HA PRO 31 HA PRO 31 1.056 -0.064 0.194 256 HB2 PRO 31 2HB PRO 31 1.212 2.613 0.709 257 HB3 PRO 31 1HB PRO 31 1.817 1.881 -0.791 258 HG2 PRO 31 2HG PRO 31 -0.671 3.416 -0.305 259 HG3 PRO 31 1HG PRO 31 0.353 3.344 -1.748 260 HD2 PRO 31 2HD PRO 31 -2.055 2.010 -1.428 261 HD3 PRO 31 1HD PRO 31 -0.795 1.586 -2.610 262 H ARG 32 H ARG 32 -2.069 1.372 0.876 263 HA ARG 32 HA ARG 32 -1.887 2.165 3.547 264 HB2 ARG 32 2HB ARG 32 -3.989 0.738 1.919 265 HB3 ARG 32 1HB ARG 32 -4.301 1.199 3.592 266 HG2 ARG 32 2HG ARG 32 -3.216 3.503 2.572 267 HG3 ARG 32 1HG ARG 32 -4.117 2.882 1.189 268 HD2 ARG 32 2HD ARG 32 -6.148 3.235 2.195 269 HD3 ARG 32 1HD ARG 32 -5.545 2.740 3.786 270 HE ARG 32 HE ARG 32 -4.807 4.968 4.180 271 HH11 ARG 32 1HH2 ARG 32 -5.818 4.477 0.904 272 HH12 ARG 32 2HH2 ARG 32 -5.837 6.166 0.530 273 HH21 ARG 32 1HH1 ARG 32 -4.832 7.161 3.692 274 HH22 ARG 32 2HH1 ARG 32 -5.278 7.682 2.100 275 H SER 33 H SER 33 -2.117 -1.138 2.269 276 HA SER 33 HA SER 33 -2.283 -2.326 4.951 277 HB2 SER 33 2HB SER 33 -1.816 -3.602 2.241 278 HB3 SER 33 1HB SER 33 -2.433 -4.394 3.694 279 HG SER 33 HG SER 33 -4.206 -2.888 3.583 280 H CYS 34 H CYS 34 0.137 -2.447 2.293 281 HA CYS 34 HA CYS 34 2.109 -3.897 3.785 282 HB2 CYS 34 2HB CYS 34 2.482 -1.926 1.518 283 HB3 CYS 34 1HB CYS 34 3.549 -3.265 1.933 284 H ASP 35 H ASP 35 1.016 -0.720 4.239 285 HA ASP 35 HA ASP 35 1.843 0.986 5.668 286 HB2 ASP 35 2HB ASP 35 2.842 -1.442 6.578 287 HB3 ASP 35 1HB ASP 35 4.298 -0.457 6.389 288 H PHE 36 H PHE 36 2.881 0.332 2.792 289 HA PHE 36 HA PHE 36 5.579 1.113 2.495 290 HB2 PHE 36 2HB PHE 36 3.098 1.494 0.801 291 HB3 PHE 36 1HB PHE 36 4.719 1.865 0.211 292 HD1 PHE 36 1HD PHE 36 6.146 -0.409 1.765 293 HD2 PHE 36 2HD PHE 36 2.634 -0.331 -0.709 294 HE1 PHE 36 1HE PHE 36 6.476 -2.800 1.220 295 HE2 PHE 36 2HE PHE 36 2.966 -2.726 -1.251 296 HZ PHE 36 HZ PHE 36 4.887 -3.961 -0.287 297 H CYS 37 H CYS 37 2.906 2.999 3.583 298 HA CYS 37 HA CYS 37 4.525 5.500 3.196 299 HB2 CYS 37 2HB CYS 37 2.120 4.917 2.065 300 HB3 CYS 37 1HB CYS 37 1.585 5.665 3.575 301 HXT CYS 37 2H CYS 37 2.629 4.650 6.760 Start of MODEL 18 1 H1 TYR 1 H TYR 1 -4.122 12.642 -4.794 2 HA TYR 1 HA TYR 1 -1.664 12.556 -5.097 3 HB2 TYR 1 2HB TYR 1 -2.542 11.913 -2.261 4 HB3 TYR 1 1HB TYR 1 -0.979 12.601 -2.697 5 HD1 TYR 1 2HD TYR 1 -0.963 14.825 -3.998 6 HD2 TYR 1 1HD TYR 1 -4.425 13.301 -1.962 7 HE1 TYR 1 2HE TYR 1 -1.965 17.093 -4.003 8 HE2 TYR 1 1HE TYR 1 -5.426 15.570 -1.966 9 HH TYR 1 HH TYR 1 -3.732 18.323 -2.496 10 H GLY 2 H GLY 2 0.327 11.259 -4.524 11 HA2 GLY 2 2HA GLY 2 -0.189 8.393 -5.008 12 HA3 GLY 2 1HA GLY 2 1.388 9.185 -5.054 13 H CYS 3 H CYS 3 1.953 7.200 -3.710 14 HA CYS 3 HA CYS 3 2.640 6.382 -1.609 15 HB2 CYS 3 2HB CYS 3 3.457 8.281 -0.674 16 HB3 CYS 3 1HB CYS 3 2.196 9.258 -1.403 17 H LEU 4 H LEU 4 -0.430 6.694 -2.610 18 HA LEU 4 HA LEU 4 -1.569 5.506 -0.099 19 HB2 LEU 4 2HB LEU 4 -2.516 7.605 -2.012 20 HB3 LEU 4 1HB LEU 4 -3.727 6.568 -1.259 21 HG LEU 4 HG LEU 4 -1.879 7.359 0.767 22 HD11 LEU 4 1HD1 LEU 4 -2.594 9.473 -1.207 23 HD12 LEU 4 2HD1 LEU 4 -1.182 9.344 -0.159 24 HD13 LEU 4 3HD1 LEU 4 -2.720 9.901 0.499 25 HD21 LEU 4 3HD2 LEU 4 -3.847 8.014 1.882 26 HD22 LEU 4 1HD2 LEU 4 -4.425 6.786 0.756 27 HD23 LEU 4 2HD2 LEU 4 -4.644 8.497 0.384 28 H ASP 5 H ASP 5 -3.791 4.374 -0.827 29 HA ASP 5 HA ASP 5 -3.063 2.495 -3.028 30 HB2 ASP 5 2HB ASP 5 -4.411 0.937 -1.815 31 HB3 ASP 5 1HB ASP 5 -3.505 1.825 -0.588 32 H ARG 6 H ARG 6 -4.875 1.785 -4.445 33 HA ARG 6 HA ARG 6 -7.195 3.656 -4.589 34 HB2 ARG 6 2HB ARG 6 -6.675 3.788 -7.100 35 HB3 ARG 6 1HB ARG 6 -5.572 4.662 -6.037 36 HG2 ARG 6 2HG ARG 6 -3.832 3.225 -6.427 37 HG3 ARG 6 1HG ARG 6 -4.891 1.823 -6.583 38 HD2 ARG 6 2HD ARG 6 -4.241 2.090 -8.808 39 HD3 ARG 6 1HD ARG 6 -5.679 3.132 -8.789 40 HE ARG 6 HE ARG 6 -3.445 4.660 -7.884 41 HH11 ARG 6 1HH2 ARG 6 -4.719 3.127 -10.707 42 HH12 ARG 6 2HH2 ARG 6 -3.966 4.235 -11.804 43 HH21 ARG 6 1HH1 ARG 6 -2.460 6.110 -9.309 44 HH22 ARG 6 2HH1 ARG 6 -2.688 5.920 -11.015 45 H ILE 7 H ILE 7 -6.701 0.738 -3.927 46 HA ILE 7 HA ILE 7 -8.654 -0.387 -5.902 47 HB ILE 7 HB ILE 7 -7.271 -2.423 -5.993 48 HG12 ILE 7 2HG1 ILE 7 -5.723 -0.903 -3.906 49 HG13 ILE 7 1HG1 ILE 7 -6.208 -2.598 -3.913 50 HG21 ILE 7 1HG2 ILE 7 -5.327 -1.444 -7.184 51 HG22 ILE 7 2HG2 ILE 7 -5.703 0.130 -6.484 52 HG23 ILE 7 3HG2 ILE 7 -6.828 -0.625 -7.614 53 HD11 ILE 7 3HD1 ILE 7 -4.599 -2.950 -5.839 54 HD12 ILE 7 1HD1 ILE 7 -3.839 -2.543 -4.300 55 HD13 ILE 7 2HD1 ILE 7 -4.008 -1.313 -5.550 56 H PHE 8 H PHE 8 -9.100 -2.833 -4.870 57 HA PHE 8 HA PHE 8 -9.557 -2.481 -1.935 58 HB2 PHE 8 2HB PHE 8 -11.547 -1.752 -3.181 59 HB3 PHE 8 1HB PHE 8 -11.568 -3.284 -4.062 60 HD1 PHE 8 1HD PHE 8 -10.672 -2.985 -0.481 61 HD2 PHE 8 2HD PHE 8 -13.739 -4.021 -3.305 62 HE1 PHE 8 1HE PHE 8 -12.002 -4.018 1.340 63 HE2 PHE 8 2HE PHE 8 -15.066 -5.057 -1.485 64 HZ PHE 8 HZ PHE 8 -14.200 -5.055 0.837 65 H VAL 9 H VAL 9 -7.528 -4.084 -2.655 66 HA VAL 9 HA VAL 9 -8.577 -6.802 -2.100 67 HB VAL 9 HB VAL 9 -8.541 -6.511 -4.563 68 HG11 VAL 9 1HG1 VAL 9 -6.620 -4.817 -4.438 69 HG12 VAL 9 2HG1 VAL 9 -6.542 -5.993 -5.749 70 HG13 VAL 9 3HG1 VAL 9 -5.544 -6.209 -4.313 71 HG21 VAL 9 3HG2 VAL 9 -7.305 -8.561 -3.052 72 HG22 VAL 9 1HG2 VAL 9 -6.257 -8.276 -4.442 73 HG23 VAL 9 2HG2 VAL 9 -7.956 -8.684 -4.688 74 H CYS 10 H CYS 10 -6.897 -4.730 -0.723 75 HA CYS 10 HA CYS 10 -4.152 -5.745 -0.734 76 HB2 CYS 10 2HB CYS 10 -5.554 -3.939 1.260 77 HB3 CYS 10 1HB CYS 10 -3.822 -4.008 0.910 78 H THR 11 H THR 11 -7.040 -6.150 1.294 79 HA THR 11 HA THR 11 -5.943 -7.372 3.568 80 HB THR 11 HB THR 11 -8.373 -6.746 2.834 81 HG1 THR 11 1HG THR 11 -9.116 -8.537 4.286 82 HG21 THR 11 3HG2 THR 11 -8.230 -9.652 1.990 83 HG22 THR 11 1HG2 THR 11 -8.498 -8.274 0.921 84 HG23 THR 11 2HG2 THR 11 -9.710 -8.704 2.127 85 H SER 12 H SER 12 -6.814 -8.908 0.456 86 HA SER 12 HA SER 12 -5.932 -11.557 1.263 87 HB2 SER 12 2HB SER 12 -7.530 -11.471 -0.463 88 HB3 SER 12 1HB SER 12 -6.704 -10.152 -1.290 89 HG SER 12 HG SER 12 -6.522 -12.529 -2.023 90 H TRP 13 H TRP 13 -4.425 -8.783 -0.324 91 HA TRP 13 HA TRP 13 -2.059 -10.147 -1.260 92 HB2 TRP 13 2HB TRP 13 -2.815 -7.285 -0.625 93 HB3 TRP 13 1HB TRP 13 -1.224 -7.711 -1.266 94 HD1 TRP 13 HD TRP 13 -3.442 -10.133 -2.725 95 HE1 TRP 13 1HE TRP 13 -4.207 -9.446 -5.089 96 HE3 TRP 13 3HE TRP 13 -2.105 -5.203 -2.692 97 HZ2 TRP 13 2HZ TRP 13 -4.250 -7.113 -6.744 98 HZ3 TRP 13 3HZ TRP 13 -2.517 -3.776 -4.672 99 HH2 TRP 13 HH TRP 13 -3.593 -4.720 -6.694 100 H ALA 14 H ALA 14 -2.462 -7.886 1.506 101 HA ALA 14 HA ALA 14 0.048 -8.248 2.711 102 HB1 ALA 14 1HB ALA 14 -2.113 -8.085 4.650 103 HB2 ALA 14 2HB ALA 14 -2.435 -7.044 3.262 104 HB3 ALA 14 3HB ALA 14 -0.945 -6.849 4.187 105 H ARG 15 H ARG 15 -2.697 -10.431 2.642 106 HA ARG 15 HA ARG 15 -1.681 -12.121 4.830 107 HB2 ARG 15 2HB ARG 15 -3.986 -12.137 2.885 108 HB3 ARG 15 1HB ARG 15 -3.651 -13.551 3.885 109 HG2 ARG 15 2HG ARG 15 -3.498 -11.483 5.709 110 HG3 ARG 15 1HG ARG 15 -4.800 -10.956 4.643 111 HD2 ARG 15 2HD ARG 15 -4.745 -13.791 5.681 112 HD3 ARG 15 1HD ARG 15 -5.437 -12.480 6.657 113 HE ARG 15 HE ARG 15 -6.362 -12.474 3.883 114 HH11 ARG 15 1HH2 ARG 15 -6.803 -13.695 7.083 115 HH12 ARG 15 2HH2 ARG 15 -8.494 -13.999 6.874 116 HH21 ARG 15 1HH1 ARG 15 -8.568 -12.864 3.597 117 HH22 ARG 15 2HH1 ARG 15 -9.494 -13.526 4.903 118 H LYS 16 H LYS 16 -0.903 -11.727 1.567 119 HA LYS 16 HA LYS 16 -0.004 -14.581 1.333 120 HB2 LYS 16 2HB LYS 16 -1.644 -13.048 -0.291 121 HB3 LYS 16 1HB LYS 16 -0.079 -12.935 -1.097 122 HG2 LYS 16 2HG LYS 16 -0.398 -14.999 -1.933 123 HG3 LYS 16 1HG LYS 16 -0.382 -15.636 -0.288 124 HD2 LYS 16 2HD LYS 16 -2.919 -14.348 -0.933 125 HD3 LYS 16 1HD LYS 16 -2.553 -15.676 -2.035 126 HE2 LYS 16 2HE LYS 16 -3.664 -16.746 -0.229 127 HE3 LYS 16 1HE LYS 16 -1.949 -16.995 0.153 128 HZ1 LYS 16 3HZ LYS 16 -3.602 -15.884 1.875 129 HZ2 LYS 16 1HZ LYS 16 -3.178 -14.487 1.012 130 HZ3 LYS 16 2HZ LYS 16 -1.972 -15.417 1.766 131 H GLY 17 H GLY 17 1.259 -11.820 2.341 132 HA2 GLY 17 2HA GLY 17 3.523 -11.160 2.523 133 HA3 GLY 17 1HA GLY 17 3.953 -12.492 1.444 134 H PHE 18 H PHE 18 1.467 -10.279 0.450 135 HA PHE 18 HA PHE 18 2.811 -9.590 -1.990 136 HB2 PHE 18 2HB PHE 18 0.281 -9.428 -0.841 137 HB3 PHE 18 1HB PHE 18 0.746 -7.743 -1.047 138 HD1 PHE 18 1HD PHE 18 0.469 -10.998 -2.856 139 HD2 PHE 18 2HD PHE 18 0.721 -6.721 -3.180 140 HE1 PHE 18 1HE PHE 18 -0.031 -11.150 -5.282 141 HE2 PHE 18 2HE PHE 18 0.222 -6.874 -5.604 142 HZ PHE 18 HZ PHE 18 -0.154 -9.088 -6.656 143 H CYS 19 H CYS 19 2.712 -8.072 1.201 144 HA CYS 19 HA CYS 19 3.703 -5.476 0.415 145 HB2 CYS 19 2HB CYS 19 3.914 -7.024 3.019 146 HB3 CYS 19 1HB CYS 19 4.150 -5.285 2.845 147 H ASP 20 H ASP 20 5.219 -8.566 0.676 148 HA ASP 20 HA ASP 20 7.924 -7.260 0.646 149 HB2 ASP 20 2HB ASP 20 6.719 -9.490 2.120 150 HB3 ASP 20 1HB ASP 20 8.247 -9.932 1.347 151 H VAL 21 H VAL 21 5.835 -9.743 -0.772 152 HA VAL 21 HA VAL 21 7.884 -10.666 -2.658 153 HB VAL 21 HB VAL 21 4.881 -11.102 -2.543 154 HG11 VAL 21 1HG1 VAL 21 6.583 -13.261 -3.530 155 HG12 VAL 21 2HG1 VAL 21 6.725 -11.800 -4.508 156 HG13 VAL 21 3HG1 VAL 21 5.146 -12.547 -4.260 157 HG21 VAL 21 3HG2 VAL 21 5.206 -12.738 -0.960 158 HG22 VAL 21 1HG2 VAL 21 6.572 -11.709 -0.532 159 HG23 VAL 21 2HG2 VAL 21 6.823 -13.129 -1.547 160 H ARG 22 H ARG 22 4.715 -9.039 -3.039 161 HA ARG 22 HA ARG 22 5.508 -8.140 -5.747 162 HB2 ARG 22 2HB ARG 22 3.087 -8.771 -4.271 163 HB3 ARG 22 1HB ARG 22 2.944 -7.211 -5.082 164 HG2 ARG 22 2HG ARG 22 4.232 -9.217 -6.769 165 HG3 ARG 22 1HG ARG 22 2.606 -9.697 -6.283 166 HD2 ARG 22 2HD ARG 22 1.761 -8.280 -7.829 167 HD3 ARG 22 1HD ARG 22 2.511 -6.922 -6.968 168 HE ARG 22 HE ARG 22 4.183 -6.913 -8.628 169 HH11 ARG 22 1HH2 ARG 22 2.676 -10.010 -8.370 170 HH12 ARG 22 2HH2 ARG 22 3.574 -10.700 -9.679 171 HH21 ARG 22 1HH1 ARG 22 5.361 -7.801 -10.338 172 HH22 ARG 22 2HH1 ARG 22 5.092 -9.449 -10.795 173 H GLN 23 H GLN 23 6.004 -6.975 -2.701 174 HA GLN 23 HA GLN 23 5.179 -4.438 -2.284 175 HB2 GLN 23 2HB GLN 23 7.390 -3.985 -1.372 176 HB3 GLN 23 1HB GLN 23 7.010 -5.689 -1.110 177 HG2 GLN 23 2HG GLN 23 9.095 -5.981 -2.011 178 HG3 GLN 23 1HG GLN 23 8.204 -5.869 -3.526 179 HE21 GLN 23 1HE2 GLN 23 9.972 -3.801 -1.167 180 HE22 GLN 23 2HE2 GLN 23 10.483 -2.664 -2.320 181 H ARG 24 H ARG 24 7.267 -5.352 -5.013 182 HA ARG 24 HA ARG 24 8.061 -2.776 -5.883 183 HB2 ARG 24 2HB ARG 24 7.531 -5.450 -7.139 184 HB3 ARG 24 1HB ARG 24 7.870 -4.074 -8.191 185 HG2 ARG 24 2HG ARG 24 9.629 -4.974 -5.888 186 HG3 ARG 24 1HG ARG 24 9.939 -5.316 -7.589 187 HD2 ARG 24 2HD ARG 24 9.852 -2.581 -6.273 188 HD3 ARG 24 1HD ARG 24 11.254 -3.367 -7.021 189 HE ARG 24 HE ARG 24 9.493 -3.401 -9.084 190 HH11 ARG 24 1HH2 ARG 24 10.375 -0.927 -6.831 191 HH12 ARG 24 2HH2 ARG 24 10.066 0.364 -7.940 192 HH21 ARG 24 1HH1 ARG 24 9.104 -1.725 -10.531 193 HH22 ARG 24 2HH1 ARG 24 9.351 -0.085 -10.033 194 H LEU 25 H LEU 25 4.988 -4.468 -6.219 195 HA LEU 25 HA LEU 25 3.895 -2.288 -7.925 196 HB2 LEU 25 2HB LEU 25 3.579 -4.630 -8.602 197 HB3 LEU 25 1HB LEU 25 2.832 -4.992 -7.045 198 HG LEU 25 HG LEU 25 1.356 -2.831 -7.904 199 HD11 LEU 25 1HD1 LEU 25 2.492 -4.274 -10.240 200 HD12 LEU 25 2HD1 LEU 25 1.906 -2.616 -10.117 201 HD13 LEU 25 3HD1 LEU 25 0.761 -3.945 -10.301 202 HD21 LEU 25 3HD2 LEU 25 0.615 -5.042 -6.918 203 HD22 LEU 25 1HD2 LEU 25 0.745 -5.737 -8.533 204 HD23 LEU 25 2HD2 LEU 25 -0.420 -4.452 -8.219 205 H MET 26 H MET 26 3.100 -4.065 -4.911 206 HA MET 26 HA MET 26 0.830 -2.735 -4.047 207 HB2 MET 26 2HB MET 26 2.486 -4.545 -3.005 208 HB3 MET 26 1HB MET 26 3.075 -3.141 -2.111 209 HG2 MET 26 2HG MET 26 1.103 -2.875 -0.952 210 HG3 MET 26 1HG MET 26 0.121 -3.526 -2.267 211 HE1 MET 26 3HE MET 26 -1.368 -5.225 -0.861 212 HE2 MET 26 1HE MET 26 -0.675 -4.162 0.374 213 HE3 MET 26 2HE MET 26 -0.709 -5.906 0.627 214 H LYS 27 H LYS 27 4.151 -1.503 -4.033 215 HA LYS 27 HA LYS 27 4.130 0.686 -2.373 216 HB2 LYS 27 2HB LYS 27 5.726 -0.214 -4.311 217 HB3 LYS 27 1HB LYS 27 4.975 1.101 -5.216 218 HG2 LYS 27 2HG LYS 27 5.803 1.869 -2.503 219 HG3 LYS 27 1HG LYS 27 7.144 1.382 -3.540 220 HD2 LYS 27 2HD LYS 27 6.965 3.240 -4.817 221 HD3 LYS 27 1HD LYS 27 5.210 3.090 -4.924 222 HE2 LYS 27 2HE LYS 27 4.946 4.713 -3.370 223 HE3 LYS 27 1HE LYS 27 5.978 3.829 -2.228 224 HZ1 LYS 27 3HZ LYS 27 6.865 5.617 -4.429 225 HZ2 LYS 27 1HZ LYS 27 7.915 4.619 -3.543 226 HZ3 LYS 27 2HZ LYS 27 7.069 5.869 -2.760 227 H ARG 28 H ARG 28 3.005 0.926 -5.776 228 HA ARG 28 HA ARG 28 1.544 3.409 -5.139 229 HB2 ARG 28 2HB ARG 28 2.080 1.734 -7.601 230 HB3 ARG 28 1HB ARG 28 1.022 3.145 -7.648 231 HG2 ARG 28 2HG ARG 28 3.597 3.619 -6.298 232 HG3 ARG 28 1HG ARG 28 3.743 3.231 -8.013 233 HD2 ARG 28 2HD ARG 28 1.628 4.998 -8.024 234 HD3 ARG 28 1HD ARG 28 2.661 5.658 -6.740 235 HE ARG 28 HE ARG 28 4.450 5.002 -8.752 236 HH11 ARG 28 1HH2 ARG 28 1.561 6.880 -8.505 237 HH12 ARG 28 2HH2 ARG 28 2.027 7.994 -9.745 238 HH21 ARG 28 1HH1 ARG 28 5.068 6.454 -10.366 239 HH22 ARG 28 2HH1 ARG 28 4.011 7.757 -10.795 240 H LEU 29 H LEU 29 0.839 0.032 -5.985 241 HA LEU 29 HA LEU 29 -1.976 0.242 -6.350 242 HB2 LEU 29 2HB LEU 29 0.077 -1.816 -5.721 243 HB3 LEU 29 1HB LEU 29 -1.599 -2.261 -5.392 244 HG LEU 29 HG LEU 29 -0.504 -2.665 -7.780 245 HD11 LEU 29 1HD1 LEU 29 -3.263 -1.471 -7.754 246 HD12 LEU 29 2HD1 LEU 29 -2.934 -2.956 -6.862 247 HD13 LEU 29 3HD1 LEU 29 -2.682 -2.900 -8.607 248 HD21 LEU 29 3HD2 LEU 29 -0.722 -0.893 -9.319 249 HD22 LEU 29 1HD2 LEU 29 -0.038 -0.111 -7.894 250 HD23 LEU 29 2HD2 LEU 29 -1.761 0.037 -8.238 251 H CYS 30 H CYS 30 -0.199 -0.822 -3.400 252 HA CYS 30 HA CYS 30 -2.299 0.445 -1.731 253 HB2 CYS 30 2HB CYS 30 -2.773 -2.037 -2.539 254 HB3 CYS 30 1HB CYS 30 -1.660 -2.440 -1.228 255 HA PRO 31 HA PRO 31 1.990 0.442 0.094 256 HB2 PRO 31 2HB PRO 31 2.121 3.163 0.425 257 HB3 PRO 31 1HB PRO 31 2.638 2.354 -1.067 258 HG2 PRO 31 2HG PRO 31 0.111 3.809 -0.480 259 HG3 PRO 31 1HG PRO 31 1.074 3.770 -1.968 260 HD2 PRO 31 2HD PRO 31 -1.225 2.339 -1.614 261 HD3 PRO 31 1HD PRO 31 0.088 1.846 -2.710 262 H ARG 32 H ARG 32 -1.181 1.519 0.831 263 HA ARG 32 HA ARG 32 -0.798 2.559 3.484 264 HB2 ARG 32 2HB ARG 32 -2.779 2.577 1.719 265 HB3 ARG 32 1HB ARG 32 -3.286 1.140 2.605 266 HG2 ARG 32 2HG ARG 32 -2.518 3.115 4.515 267 HG3 ARG 32 1HG ARG 32 -3.611 3.876 3.358 268 HD2 ARG 32 2HD ARG 32 -4.304 1.159 4.448 269 HD3 ARG 32 1HD ARG 32 -4.634 2.605 5.422 270 HE ARG 32 HE ARG 32 -5.511 3.113 2.762 271 HH11 ARG 32 1HH2 ARG 32 -6.215 1.121 5.492 272 HH12 ARG 32 2HH2 ARG 32 -7.907 1.015 5.141 273 HH21 ARG 32 1HH1 ARG 32 -7.713 2.983 2.292 274 HH22 ARG 32 2HH1 ARG 32 -8.755 2.067 3.328 275 H SER 33 H SER 33 -2.441 -0.507 2.641 276 HA SER 33 HA SER 33 -2.496 -1.809 5.044 277 HB2 SER 33 2HB SER 33 -1.586 -3.008 2.409 278 HB3 SER 33 1HB SER 33 -2.367 -3.877 3.733 279 HG SER 33 HG SER 33 -4.204 -2.610 3.409 280 H CYS 34 H CYS 34 0.340 -1.982 2.841 281 HA CYS 34 HA CYS 34 1.968 -3.222 4.952 282 HB2 CYS 34 2HB CYS 34 2.978 -2.131 2.332 283 HB3 CYS 34 1HB CYS 34 3.522 -3.555 3.214 284 H ASP 35 H ASP 35 1.260 -0.026 3.856 285 HA ASP 35 HA ASP 35 1.949 2.049 4.769 286 HB2 ASP 35 2HB ASP 35 2.304 0.283 6.761 287 HB3 ASP 35 1HB ASP 35 3.995 0.713 6.478 288 H PHE 36 H PHE 36 3.132 1.216 2.349 289 HA PHE 36 HA PHE 36 6.029 1.305 2.401 290 HB2 PHE 36 2HB PHE 36 3.845 1.712 0.362 291 HB3 PHE 36 1HB PHE 36 5.531 2.014 -0.066 292 HD1 PHE 36 1HD PHE 36 4.449 -0.562 2.372 293 HD2 PHE 36 2HD PHE 36 5.777 0.216 -1.636 294 HE1 PHE 36 1HE PHE 36 4.800 -2.980 2.014 295 HE2 PHE 36 2HE PHE 36 6.125 -2.209 -1.985 296 HZ PHE 36 HZ PHE 36 5.638 -3.813 -0.162 297 H CYS 37 H CYS 37 3.467 3.721 2.070 298 HA CYS 37 HA CYS 37 5.295 5.944 1.563 299 HB2 CYS 37 2HB CYS 37 3.092 6.019 0.641 300 HB3 CYS 37 1HB CYS 37 2.353 5.597 2.188 301 HXT CYS 37 2H CYS 37 3.897 6.488 5.384 Start of MODEL 19 1 H1 TYR 1 H TYR 1 -2.382 14.878 -0.496 2 HA TYR 1 HA TYR 1 -2.935 13.365 -3.019 3 HB2 TYR 1 2HB TYR 1 -1.756 16.132 -2.642 4 HB3 TYR 1 1HB TYR 1 -1.631 15.234 -4.156 5 HD1 TYR 1 1HD TYR 1 -4.025 14.084 -4.833 6 HD2 TYR 1 2HD TYR 1 -3.487 17.674 -2.539 7 HE1 TYR 1 1HE TYR 1 -6.306 14.826 -5.462 8 HE2 TYR 1 2HE TYR 1 -5.770 18.417 -3.166 9 HH TYR 1 HH TYR 1 -7.992 16.301 -4.853 10 H GLY 2 H GLY 2 -1.650 11.799 -1.503 11 HA2 GLY 2 2HA GLY 2 1.248 12.188 -2.085 12 HA3 GLY 2 1HA GLY 2 0.745 11.717 -0.463 13 H CYS 3 H CYS 3 0.440 9.561 -0.060 14 HA CYS 3 HA CYS 3 0.641 7.708 -2.407 15 HB2 CYS 3 2HB CYS 3 1.873 7.931 0.215 16 HB3 CYS 3 1HB CYS 3 1.132 6.344 0.003 17 H LEU 4 H LEU 4 -1.091 6.394 -2.817 18 HA LEU 4 HA LEU 4 -2.950 5.624 -0.641 19 HB2 LEU 4 2HB LEU 4 -4.877 6.565 -1.877 20 HB3 LEU 4 1HB LEU 4 -3.724 7.831 -1.457 21 HG LEU 4 HG LEU 4 -3.219 6.508 -4.051 22 HD11 LEU 4 1HD1 LEU 4 -5.723 8.118 -3.508 23 HD12 LEU 4 2HD1 LEU 4 -5.595 6.543 -4.293 24 HD13 LEU 4 3HD1 LEU 4 -5.016 7.990 -5.119 25 HD21 LEU 4 3HD2 LEU 4 -2.662 8.961 -2.686 26 HD22 LEU 4 1HD2 LEU 4 -3.532 9.348 -4.170 27 HD23 LEU 4 2HD2 LEU 4 -2.037 8.415 -4.242 28 H ASP 5 H ASP 5 -4.283 3.827 -1.256 29 HA ASP 5 HA ASP 5 -3.102 2.136 -3.337 30 HB2 ASP 5 2HB ASP 5 -4.644 0.489 -2.391 31 HB3 ASP 5 1HB ASP 5 -3.840 1.363 -1.086 32 H ARG 6 H ARG 6 -4.938 0.838 -4.640 33 HA ARG 6 HA ARG 6 -6.915 2.807 -5.734 34 HB2 ARG 6 2HB ARG 6 -5.189 0.954 -7.396 35 HB3 ARG 6 1HB ARG 6 -6.174 2.303 -7.962 36 HG2 ARG 6 2HG ARG 6 -4.580 3.567 -6.145 37 HG3 ARG 6 1HG ARG 6 -3.481 2.321 -6.739 38 HD2 ARG 6 2HD ARG 6 -5.035 3.677 -8.859 39 HD3 ARG 6 1HD ARG 6 -3.873 4.714 -8.007 40 HE ARG 6 HE ARG 6 -2.413 2.433 -8.426 41 HH11 ARG 6 1HH2 ARG 6 -4.391 4.417 -10.449 42 HH12 ARG 6 2HH2 ARG 6 -3.476 4.089 -11.883 43 HH21 ARG 6 1HH1 ARG 6 -1.214 2.002 -10.289 44 HH22 ARG 6 2HH1 ARG 6 -1.682 2.722 -11.793 45 H ILE 7 H ILE 7 -6.515 -0.163 -4.319 46 HA ILE 7 HA ILE 7 -9.030 -1.176 -5.576 47 HB ILE 7 HB ILE 7 -7.875 -3.489 -5.407 48 HG12 ILE 7 2HG1 ILE 7 -5.324 -3.159 -5.806 49 HG13 ILE 7 1HG1 ILE 7 -5.549 -1.600 -5.025 50 HG21 ILE 7 1HG2 ILE 7 -8.366 -2.263 -7.521 51 HG22 ILE 7 2HG2 ILE 7 -6.887 -3.218 -7.620 52 HG23 ILE 7 3HG2 ILE 7 -6.796 -1.471 -7.395 53 HD11 ILE 7 3HD1 ILE 7 -5.457 -4.263 -3.842 54 HD12 ILE 7 1HD1 ILE 7 -6.908 -3.382 -3.365 55 HD13 ILE 7 2HD1 ILE 7 -5.317 -2.688 -3.061 56 H PHE 8 H PHE 8 -9.733 -3.229 -4.175 57 HA PHE 8 HA PHE 8 -9.357 -2.516 -1.282 58 HB2 PHE 8 2HB PHE 8 -11.746 -3.291 -1.076 59 HB3 PHE 8 1HB PHE 8 -11.553 -1.871 -2.108 60 HD1 PHE 8 2HD PHE 8 -11.679 -2.074 -4.570 61 HD2 PHE 8 1HD PHE 8 -12.396 -5.437 -1.996 62 HE1 PHE 8 2HE PHE 8 -12.714 -3.302 -6.460 63 HE2 PHE 8 1HE PHE 8 -13.430 -6.664 -3.885 64 HZ PHE 8 HZ PHE 8 -13.588 -5.596 -6.118 65 H VAL 9 H VAL 9 -8.251 -4.682 -3.317 66 HA VAL 9 HA VAL 9 -9.062 -7.132 -1.825 67 HB VAL 9 HB VAL 9 -9.163 -7.121 -4.281 68 HG11 VAL 9 1HG1 VAL 9 -6.740 -7.091 -5.361 69 HG12 VAL 9 2HG1 VAL 9 -6.360 -6.118 -3.940 70 HG13 VAL 9 3HG1 VAL 9 -7.609 -5.586 -5.065 71 HG21 VAL 9 3HG2 VAL 9 -8.341 -9.250 -4.453 72 HG22 VAL 9 1HG2 VAL 9 -8.047 -9.066 -2.725 73 HG23 VAL 9 2HG2 VAL 9 -6.741 -8.782 -3.877 74 H CYS 10 H CYS 10 -6.492 -4.838 -2.000 75 HA CYS 10 HA CYS 10 -4.154 -6.283 -1.528 76 HB2 CYS 10 2HB CYS 10 -4.809 -3.701 -1.511 77 HB3 CYS 10 1HB CYS 10 -4.785 -3.944 0.231 78 H THR 11 H THR 11 -6.884 -5.790 0.650 79 HA THR 11 HA THR 11 -5.745 -6.483 3.112 80 HB THR 11 HB THR 11 -8.428 -7.138 1.857 81 HG1 THR 11 1HG THR 11 -8.721 -5.124 2.301 82 HG21 THR 11 3HG2 THR 11 -7.472 -7.453 4.711 83 HG22 THR 11 1HG2 THR 11 -8.127 -8.706 3.658 84 HG23 THR 11 2HG2 THR 11 -9.176 -7.421 4.256 85 H SER 12 H SER 12 -7.023 -8.656 0.582 86 HA SER 12 HA SER 12 -6.265 -11.092 1.975 87 HB2 SER 12 2HB SER 12 -7.611 -10.225 -0.441 88 HB3 SER 12 1HB SER 12 -6.486 -11.529 -0.811 89 HG SER 12 HG SER 12 -7.515 -12.822 0.642 90 H TRP 13 H TRP 13 -4.664 -8.820 -0.134 91 HA TRP 13 HA TRP 13 -2.549 -10.544 -1.085 92 HB2 TRP 13 2HB TRP 13 -2.993 -7.570 -0.783 93 HB3 TRP 13 1HB TRP 13 -1.471 -8.201 -1.409 94 HD1 TRP 13 HD TRP 13 -3.495 -10.707 -2.689 95 HE1 TRP 13 1HE TRP 13 -4.456 -10.190 -5.025 96 HE3 TRP 13 3HE TRP 13 -2.788 -5.653 -2.830 97 HZ2 TRP 13 2HZ TRP 13 -4.868 -7.925 -6.730 98 HZ3 TRP 13 3HZ TRP 13 -3.473 -4.340 -4.815 99 HH2 TRP 13 HH TRP 13 -4.512 -5.466 -6.764 100 H ALA 14 H ALA 14 -2.436 -7.913 1.356 101 HA ALA 14 HA ALA 14 0.105 -8.418 2.421 102 HB1 ALA 14 1HB ALA 14 -1.415 -7.678 4.599 103 HB2 ALA 14 2HB ALA 14 -2.437 -7.177 3.252 104 HB3 ALA 14 3HB ALA 14 -0.790 -6.558 3.389 105 H ARG 15 H ARG 15 -2.925 -10.147 2.992 106 HA ARG 15 HA ARG 15 -2.017 -11.669 5.277 107 HB2 ARG 15 2HB ARG 15 -4.388 -11.186 4.330 108 HB3 ARG 15 1HB ARG 15 -4.076 -12.551 3.256 109 HG2 ARG 15 2HG ARG 15 -4.329 -14.064 4.923 110 HG3 ARG 15 1HG ARG 15 -3.374 -13.100 6.050 111 HD2 ARG 15 2HD ARG 15 -5.651 -13.213 6.907 112 HD3 ARG 15 1HD ARG 15 -5.389 -11.567 6.294 113 HE ARG 15 HE ARG 15 -6.384 -13.402 4.252 114 HH11 ARG 15 1HH2 ARG 15 -7.176 -11.274 6.856 115 HH12 ARG 15 2HH2 ARG 15 -8.762 -10.923 6.255 116 HH21 ARG 15 1HH1 ARG 15 -8.447 -12.946 3.458 117 HH22 ARG 15 2HH1 ARG 15 -9.479 -11.866 4.333 118 H LYS 16 H LYS 16 -0.966 -11.745 2.087 119 HA LYS 16 HA LYS 16 -0.198 -14.639 2.310 120 HB2 LYS 16 2HB LYS 16 -0.945 -12.850 -0.009 121 HB3 LYS 16 1HB LYS 16 -0.082 -14.367 -0.261 122 HG2 LYS 16 2HG LYS 16 -1.918 -15.491 1.109 123 HG3 LYS 16 1HG LYS 16 -2.815 -13.979 0.973 124 HD2 LYS 16 2HD LYS 16 -1.795 -14.751 -1.616 125 HD3 LYS 16 1HD LYS 16 -2.721 -16.077 -0.913 126 HE2 LYS 16 2HE LYS 16 -4.703 -14.867 -0.899 127 HE3 LYS 16 1HE LYS 16 -3.868 -13.308 -0.741 128 HZ1 LYS 16 3HZ LYS 16 -4.815 -13.951 -3.031 129 HZ2 LYS 16 1HZ LYS 16 -3.478 -14.991 -3.134 130 HZ3 LYS 16 2HZ LYS 16 -3.239 -13.319 -2.956 131 H GLY 17 H GLY 17 0.899 -11.372 1.989 132 HA2 GLY 17 2HA GLY 17 3.280 -10.954 2.583 133 HA3 GLY 17 1HA GLY 17 3.693 -12.384 1.628 134 H PHE 18 H PHE 18 1.213 -10.558 0.211 135 HA PHE 18 HA PHE 18 2.502 -10.001 -2.210 136 HB2 PHE 18 2HB PHE 18 0.051 -9.547 -0.951 137 HB3 PHE 18 1HB PHE 18 0.620 -7.931 -1.362 138 HD1 PHE 18 2HD PHE 18 0.675 -11.333 -2.965 139 HD2 PHE 18 1HD PHE 18 -0.122 -7.139 -3.408 140 HE1 PHE 18 2HE PHE 18 0.017 -11.707 -5.328 141 HE2 PHE 18 1HE PHE 18 -0.781 -7.510 -5.768 142 HZ PHE 18 HZ PHE 18 -0.714 -9.793 -6.729 143 H CYS 19 H CYS 19 2.234 -7.892 0.663 144 HA CYS 19 HA CYS 19 3.508 -5.592 -0.365 145 HB2 CYS 19 2HB CYS 19 2.496 -5.285 1.689 146 HB3 CYS 19 1HB CYS 19 2.985 -6.869 2.282 147 H ASP 20 H ASP 20 4.878 -8.693 0.338 148 HA ASP 20 HA ASP 20 7.633 -7.516 0.375 149 HB2 ASP 20 2HB ASP 20 6.378 -9.320 2.032 150 HB3 ASP 20 1HB ASP 20 7.251 -10.387 0.927 151 H VAL 21 H VAL 21 6.315 -10.665 -0.706 152 HA VAL 21 HA VAL 21 8.202 -11.087 -2.777 153 HB VAL 21 HB VAL 21 6.665 -12.759 -1.762 154 HG11 VAL 21 1HG1 VAL 21 4.503 -11.622 -3.534 155 HG12 VAL 21 2HG1 VAL 21 4.698 -11.074 -1.871 156 HG13 VAL 21 3HG1 VAL 21 4.339 -12.767 -2.204 157 HG21 VAL 21 3HG2 VAL 21 5.763 -13.050 -4.507 158 HG22 VAL 21 1HG2 VAL 21 6.952 -14.006 -3.621 159 HG23 VAL 21 2HG2 VAL 21 7.449 -12.534 -4.454 160 H ARG 22 H ARG 22 5.014 -9.502 -2.880 161 HA ARG 22 HA ARG 22 5.420 -8.838 -5.753 162 HB2 ARG 22 2HB ARG 22 3.190 -9.251 -3.883 163 HB3 ARG 22 1HB ARG 22 2.962 -7.865 -4.952 164 HG2 ARG 22 2HG ARG 22 2.072 -9.786 -6.100 165 HG3 ARG 22 1HG ARG 22 3.599 -9.377 -6.884 166 HD2 ARG 22 2HD ARG 22 4.701 -11.083 -5.311 167 HD3 ARG 22 1HD ARG 22 3.057 -11.632 -4.936 168 HE ARG 22 HE ARG 22 2.877 -12.488 -7.143 169 HH11 ARG 22 1HH2 ARG 22 5.597 -10.387 -6.777 170 HH12 ARG 22 2HH2 ARG 22 6.280 -10.796 -8.315 171 HH21 ARG 22 1HH1 ARG 22 3.764 -13.028 -9.145 172 HH22 ARG 22 2HH1 ARG 22 5.245 -12.286 -9.652 173 H GLN 23 H GLN 23 6.273 -7.518 -2.865 174 HA GLN 23 HA GLN 23 5.570 -4.981 -2.406 175 HB2 GLN 23 2HB GLN 23 7.514 -5.872 -1.376 176 HB3 GLN 23 1HB GLN 23 8.318 -6.121 -2.930 177 HG2 GLN 23 2HG GLN 23 8.459 -3.691 -3.266 178 HG3 GLN 23 1HG GLN 23 7.620 -3.420 -1.739 179 HE21 GLN 23 1HE2 GLN 23 9.612 -2.250 -1.003 180 HE22 GLN 23 2HE2 GLN 23 10.953 -3.141 -0.468 181 H ARG 24 H ARG 24 8.042 -5.435 -4.971 182 HA ARG 24 HA ARG 24 8.095 -2.945 -6.119 183 HB2 ARG 24 2HB ARG 24 8.549 -4.167 -8.261 184 HB3 ARG 24 1HB ARG 24 9.415 -4.847 -6.884 185 HG2 ARG 24 2HG ARG 24 7.475 -6.475 -6.622 186 HG3 ARG 24 1HG ARG 24 6.903 -5.910 -8.192 187 HD2 ARG 24 2HD ARG 24 9.489 -7.347 -7.565 188 HD3 ARG 24 1HD ARG 24 8.228 -7.814 -8.713 189 HE ARG 24 HE ARG 24 8.843 -5.819 -10.072 190 HH11 ARG 24 1HH2 ARG 24 11.081 -6.814 -7.588 191 HH12 ARG 24 2HH2 ARG 24 12.428 -6.058 -8.357 192 HH21 ARG 24 1HH1 ARG 24 10.608 -4.849 -11.033 193 HH22 ARG 24 2HH1 ARG 24 12.168 -4.952 -10.286 194 H LEU 25 H LEU 25 5.435 -5.250 -6.366 195 HA LEU 25 HA LEU 25 4.004 -3.499 -8.299 196 HB2 LEU 25 2HB LEU 25 3.915 -5.803 -8.850 197 HB3 LEU 25 1HB LEU 25 3.659 -6.280 -7.172 198 HG LEU 25 HG LEU 25 1.614 -4.484 -8.382 199 HD11 LEU 25 1HD1 LEU 25 1.049 -7.309 -8.895 200 HD12 LEU 25 2HD1 LEU 25 2.421 -6.714 -9.831 201 HD13 LEU 25 3HD1 LEU 25 0.854 -5.916 -9.959 202 HD21 LEU 25 3HD2 LEU 25 0.271 -6.434 -7.122 203 HD22 LEU 25 1HD2 LEU 25 0.997 -5.089 -6.240 204 HD23 LEU 25 2HD2 LEU 25 1.831 -6.639 -6.326 205 H MET 26 H MET 26 3.633 -4.849 -5.008 206 HA MET 26 HA MET 26 1.109 -3.507 -4.487 207 HB2 MET 26 2HB MET 26 2.406 -5.602 -3.438 208 HB3 MET 26 1HB MET 26 2.978 -4.365 -2.317 209 HG2 MET 26 2HG MET 26 0.287 -3.794 -2.502 210 HG3 MET 26 1HG MET 26 0.304 -5.551 -2.583 211 HE1 MET 26 3HE MET 26 0.358 -6.861 0.351 212 HE2 MET 26 1HE MET 26 -0.611 -6.297 -1.017 213 HE3 MET 26 2HE MET 26 -0.836 -5.584 0.578 214 H LYS 27 H LYS 27 4.254 -2.323 -4.738 215 HA LYS 27 HA LYS 27 4.111 -0.351 -2.561 216 HB2 LYS 27 2HB LYS 27 5.988 -1.297 -4.650 217 HB3 LYS 27 1HB LYS 27 6.161 0.400 -4.200 218 HG2 LYS 27 2HG LYS 27 5.800 -1.209 -1.830 219 HG3 LYS 27 1HG LYS 27 7.135 -1.848 -2.791 220 HD2 LYS 27 2HD LYS 27 7.011 1.110 -2.468 221 HD3 LYS 27 1HD LYS 27 7.464 0.172 -1.044 222 HE2 LYS 27 2HE LYS 27 9.402 -0.681 -2.063 223 HE3 LYS 27 1HE LYS 27 8.786 -0.379 -3.700 224 HZ1 LYS 27 3HZ LYS 27 9.103 1.865 -1.825 225 HZ2 LYS 27 1HZ LYS 27 9.136 1.875 -3.520 226 HZ3 LYS 27 2HZ LYS 27 10.466 1.278 -2.650 227 H ARG 28 H ARG 28 3.185 -0.531 -5.919 228 HA ARG 28 HA ARG 28 2.999 2.433 -6.122 229 HB2 ARG 28 2HB ARG 28 2.626 0.204 -8.145 230 HB3 ARG 28 1HB ARG 28 2.694 1.928 -8.510 231 HG2 ARG 28 2HG ARG 28 4.981 1.897 -7.306 232 HG3 ARG 28 1HG ARG 28 4.899 0.144 -7.484 233 HD2 ARG 28 2HD ARG 28 5.924 0.591 -9.494 234 HD3 ARG 28 1HD ARG 28 4.270 0.932 -10.027 235 HE ARG 28 HE ARG 28 6.298 2.961 -9.259 236 HH11 ARG 28 1HH2 ARG 28 3.067 2.176 -10.281 237 HH12 ARG 28 2HH2 ARG 28 2.685 3.808 -10.696 238 HH21 ARG 28 1HH1 ARG 28 5.778 5.068 -9.804 239 HH22 ARG 28 2HH1 ARG 28 4.204 5.435 -10.428 240 H LEU 29 H LEU 29 0.911 -0.334 -5.631 241 HA LEU 29 HA LEU 29 -1.439 1.436 -6.217 242 HB2 LEU 29 2HB LEU 29 -2.569 -0.668 -6.883 243 HB3 LEU 29 1HB LEU 29 -1.121 -0.360 -7.842 244 HG LEU 29 HG LEU 29 -0.217 -1.804 -5.611 245 HD11 LEU 29 1HD1 LEU 29 -2.293 -3.571 -6.734 246 HD12 LEU 29 2HD1 LEU 29 -2.919 -2.272 -5.716 247 HD13 LEU 29 3HD1 LEU 29 -1.733 -3.407 -5.069 248 HD21 LEU 29 3HD2 LEU 29 0.564 -1.936 -7.978 249 HD22 LEU 29 1HD2 LEU 29 -0.912 -2.809 -8.390 250 HD23 LEU 29 2HD2 LEU 29 0.259 -3.530 -7.285 251 H CYS 30 H CYS 30 0.155 0.122 -3.616 252 HA CYS 30 HA CYS 30 -2.268 0.297 -1.955 253 HB2 CYS 30 2HB CYS 30 -2.464 -1.956 -2.832 254 HB3 CYS 30 1HB CYS 30 -0.782 -2.302 -2.424 255 HA PRO 31 HA PRO 31 1.879 1.089 0.067 256 HB2 PRO 31 2HB PRO 31 1.733 3.809 0.228 257 HB3 PRO 31 1HB PRO 31 2.427 2.967 -1.173 258 HG2 PRO 31 2HG PRO 31 -0.238 4.243 -0.866 259 HG3 PRO 31 1HG PRO 31 0.813 4.143 -2.288 260 HD2 PRO 31 2HD PRO 31 -1.414 2.560 -1.860 261 HD3 PRO 31 1HD PRO 31 -0.061 2.148 -2.940 262 H ARG 32 H ARG 32 -1.396 1.445 0.625 263 HA ARG 32 HA ARG 32 -1.259 2.812 3.223 264 HB2 ARG 32 2HB ARG 32 -3.675 2.386 3.193 265 HB3 ARG 32 1HB ARG 32 -3.156 2.974 1.613 266 HG2 ARG 32 2HG ARG 32 -4.125 1.139 0.730 267 HG3 ARG 32 1HG ARG 32 -2.823 0.202 1.462 268 HD2 ARG 32 2HD ARG 32 -4.129 -0.282 3.408 269 HD3 ARG 32 1HD ARG 32 -5.342 0.942 2.980 270 HE ARG 32 HE ARG 32 -4.971 -1.052 0.886 271 HH11 ARG 32 1HH2 ARG 32 -6.542 -0.257 3.857 272 HH12 ARG 32 2HH2 ARG 32 -7.885 -1.313 3.578 273 HH21 ARG 32 1HH1 ARG 32 -6.721 -2.427 0.509 274 HH22 ARG 32 2HH1 ARG 32 -7.990 -2.537 1.682 275 H SER 33 H SER 33 -0.884 -0.432 2.093 276 HA SER 33 HA SER 33 -1.772 -1.730 4.570 277 HB2 SER 33 2HB SER 33 -0.289 -2.618 2.081 278 HB3 SER 33 1HB SER 33 -0.751 -3.724 3.376 279 HG SER 33 HG SER 33 -2.593 -1.993 2.098 280 H CYS 34 H CYS 34 1.411 -1.784 2.930 281 HA CYS 34 HA CYS 34 2.753 -2.223 5.531 282 HB2 CYS 34 2HB CYS 34 3.294 -2.507 2.633 283 HB3 CYS 34 1HB CYS 34 4.695 -2.116 3.628 284 H ASP 35 H ASP 35 1.577 0.483 4.299 285 HA ASP 35 HA ASP 35 2.212 2.762 4.383 286 HB2 ASP 35 2HB ASP 35 4.324 1.705 6.284 287 HB3 ASP 35 1HB ASP 35 3.534 3.285 6.320 288 H PHE 36 H PHE 36 3.437 1.058 2.342 289 HA PHE 36 HA PHE 36 6.170 1.169 1.945 290 HB2 PHE 36 2HB PHE 36 3.873 1.755 0.059 291 HB3 PHE 36 1HB PHE 36 5.524 1.455 -0.490 292 HD1 PHE 36 1HD PHE 36 6.230 -0.628 1.675 293 HD2 PHE 36 2HD PHE 36 2.831 -0.180 -0.915 294 HE1 PHE 36 1HE PHE 36 5.811 -3.064 1.798 295 HE2 PHE 36 2HE PHE 36 2.418 -2.617 -0.790 296 HZ PHE 36 HZ PHE 36 3.907 -4.058 0.566 297 H CYS 37 H CYS 37 3.965 3.881 2.061 298 HA CYS 37 HA CYS 37 6.199 5.771 2.092 299 HB2 CYS 37 2HB CYS 37 5.222 6.961 0.024 300 HB3 CYS 37 1HB CYS 37 6.111 5.463 -0.271 301 HXT CYS 37 2H CYS 37 3.830 8.193 3.274 Start of MODEL 20 1 H1 TYR 1 H TYR 1 -0.383 11.637 -0.314 2 HA TYR 1 HA TYR 1 -1.528 13.492 -1.781 3 HB2 TYR 1 2HB TYR 1 1.376 14.104 -1.615 4 HB3 TYR 1 1HB TYR 1 0.620 14.385 -3.184 5 HD1 TYR 1 2HD TYR 1 -0.164 14.910 0.451 6 HD2 TYR 1 1HD TYR 1 -0.313 16.490 -3.541 7 HE1 TYR 1 2HE TYR 1 -1.177 17.002 1.317 8 HE2 TYR 1 1HE TYR 1 -1.328 18.582 -2.675 9 HH TYR 1 HH TYR 1 -2.339 18.886 0.676 10 H GLY 2 H GLY 2 0.941 11.034 -2.008 11 HA2 GLY 2 2HA GLY 2 -0.344 10.058 -4.507 12 HA3 GLY 2 1HA GLY 2 1.406 10.272 -4.497 13 H CYS 3 H CYS 3 -0.306 9.235 -1.627 14 HA CYS 3 HA CYS 3 0.738 6.454 -2.039 15 HB2 CYS 3 2HB CYS 3 0.716 8.013 0.560 16 HB3 CYS 3 1HB CYS 3 1.554 6.500 0.223 17 H LEU 4 H LEU 4 -1.339 5.580 -2.490 18 HA LEU 4 HA LEU 4 -3.078 5.193 -0.157 19 HB2 LEU 4 2HB LEU 4 -4.984 6.339 -1.063 20 HB3 LEU 4 1HB LEU 4 -3.630 7.459 -1.194 21 HG LEU 4 HG LEU 4 -4.438 5.618 -3.456 22 HD11 LEU 4 1HD1 LEU 4 -6.349 7.047 -2.995 23 HD12 LEU 4 2HD1 LEU 4 -5.525 7.660 -4.429 24 HD13 LEU 4 3HD1 LEU 4 -5.306 8.466 -2.877 25 HD21 LEU 4 3HD2 LEU 4 -2.308 6.393 -3.957 26 HD22 LEU 4 1HD2 LEU 4 -2.526 7.886 -3.045 27 HD23 LEU 4 2HD2 LEU 4 -3.277 7.705 -4.629 28 H ASP 5 H ASP 5 -4.652 3.539 -0.529 29 HA ASP 5 HA ASP 5 -3.826 1.488 -2.387 30 HB2 ASP 5 2HB ASP 5 -5.794 0.339 -1.413 31 HB3 ASP 5 1HB ASP 5 -4.810 1.093 -0.160 32 H ARG 6 H ARG 6 -4.522 1.169 -4.462 33 HA ARG 6 HA ARG 6 -6.507 3.025 -5.615 34 HB2 ARG 6 2HB ARG 6 -4.578 0.931 -6.617 35 HB3 ARG 6 1HB ARG 6 -5.778 1.640 -7.695 36 HG2 ARG 6 2HG ARG 6 -4.925 3.881 -7.236 37 HG3 ARG 6 1HG ARG 6 -3.783 3.232 -6.059 38 HD2 ARG 6 2HD ARG 6 -2.314 3.096 -7.792 39 HD3 ARG 6 1HD ARG 6 -3.289 1.726 -8.359 40 HE ARG 6 HE ARG 6 -4.252 3.144 -9.989 41 HH11 ARG 6 1HH2 ARG 6 -2.628 4.930 -7.514 42 HH12 ARG 6 2HH2 ARG 6 -2.807 6.453 -8.317 43 HH21 ARG 6 1HH1 ARG 6 -4.501 5.125 -11.036 44 HH22 ARG 6 2HH1 ARG 6 -3.865 6.564 -10.308 45 H ILE 7 H ILE 7 -6.475 -0.116 -4.245 46 HA ILE 7 HA ILE 7 -9.253 -0.575 -5.226 47 HB ILE 7 HB ILE 7 -8.552 -2.964 -5.711 48 HG12 ILE 7 2HG1 ILE 7 -5.840 -1.714 -5.212 49 HG13 ILE 7 1HG1 ILE 7 -6.531 -3.132 -4.426 50 HG21 ILE 7 1HG2 ILE 7 -6.805 -1.375 -7.481 51 HG22 ILE 7 2HG2 ILE 7 -8.437 -0.731 -7.301 52 HG23 ILE 7 3HG2 ILE 7 -8.199 -2.379 -7.880 53 HD11 ILE 7 3HD1 ILE 7 -5.088 -2.940 -6.955 54 HD12 ILE 7 1HD1 ILE 7 -6.639 -3.760 -7.138 55 HD13 ILE 7 2HD1 ILE 7 -5.452 -4.363 -5.981 56 H PHE 8 H PHE 8 -9.845 -2.923 -4.064 57 HA PHE 8 HA PHE 8 -9.193 -2.495 -1.168 58 HB2 PHE 8 2HB PHE 8 -11.620 -2.978 -2.742 59 HB3 PHE 8 1HB PHE 8 -11.481 -4.059 -1.352 60 HD1 PHE 8 2HD PHE 8 -11.604 -0.513 -2.422 61 HD2 PHE 8 1HD PHE 8 -11.636 -3.232 0.903 62 HE1 PHE 8 2HE PHE 8 -12.288 1.336 -0.917 63 HE2 PHE 8 1HE PHE 8 -12.322 -1.384 2.408 64 HZ PHE 8 HZ PHE 8 -12.648 0.899 1.499 65 H VAL 9 H VAL 9 -7.938 -4.280 -3.442 66 HA VAL 9 HA VAL 9 -8.395 -7.008 -2.443 67 HB VAL 9 HB VAL 9 -6.556 -5.718 -4.481 68 HG11 VAL 9 1HG1 VAL 9 -5.293 -7.598 -4.051 69 HG12 VAL 9 2HG1 VAL 9 -6.471 -8.316 -5.151 70 HG13 VAL 9 3HG1 VAL 9 -6.666 -8.500 -3.408 71 HG21 VAL 9 3HG2 VAL 9 -8.045 -6.796 -6.091 72 HG22 VAL 9 1HG2 VAL 9 -9.004 -5.816 -4.982 73 HG23 VAL 9 2HG2 VAL 9 -8.944 -7.567 -4.785 74 H CYS 10 H CYS 10 -6.751 -4.481 -1.151 75 HA CYS 10 HA CYS 10 -4.127 -5.431 -0.607 76 HB2 CYS 10 2HB CYS 10 -5.983 -3.765 1.126 77 HB3 CYS 10 1HB CYS 10 -4.215 -3.762 1.186 78 H THR 11 H THR 11 -7.230 -6.333 0.767 79 HA THR 11 HA THR 11 -6.251 -7.539 3.199 80 HB THR 11 HB THR 11 -8.632 -6.822 2.381 81 HG1 THR 11 1HG THR 11 -7.950 -9.087 3.892 82 HG21 THR 11 3HG2 THR 11 -8.694 -8.226 0.376 83 HG22 THR 11 1HG2 THR 11 -9.962 -8.719 1.498 84 HG23 THR 11 2HG2 THR 11 -8.484 -9.672 1.365 85 H SER 12 H SER 12 -6.925 -8.806 -0.061 86 HA SER 12 HA SER 12 -6.201 -11.545 0.588 87 HB2 SER 12 2HB SER 12 -7.550 -11.482 -1.266 88 HB3 SER 12 1HB SER 12 -6.968 -9.893 -1.755 89 HG SER 12 HG SER 12 -6.312 -12.165 -2.806 90 H TRP 13 H TRP 13 -4.454 -8.701 -0.515 91 HA TRP 13 HA TRP 13 -2.052 -10.218 -1.287 92 HB2 TRP 13 2HB TRP 13 -2.886 -7.321 -1.083 93 HB3 TRP 13 1HB TRP 13 -1.211 -7.763 -1.427 94 HD1 TRP 13 HD TRP 13 -2.412 -10.462 -3.091 95 HE1 TRP 13 1HE TRP 13 -3.088 -10.032 -5.541 96 HE3 TRP 13 3HE TRP 13 -2.914 -5.382 -2.988 97 HZ2 TRP 13 2HZ TRP 13 -3.755 -7.823 -7.235 98 HZ3 TRP 13 3HZ TRP 13 -3.569 -4.141 -5.031 99 HH2 TRP 13 HH TRP 13 -3.990 -5.354 -7.151 100 H ALA 14 H ALA 14 -2.895 -7.841 1.255 101 HA ALA 14 HA ALA 14 -0.535 -7.745 2.715 102 HB1 ALA 14 1HB ALA 14 -3.431 -7.882 3.600 103 HB2 ALA 14 2HB ALA 14 -2.491 -6.431 3.253 104 HB3 ALA 14 3HB ALA 14 -2.113 -7.407 4.673 105 H ARG 15 H ARG 15 -3.094 -10.240 2.999 106 HA ARG 15 HA ARG 15 -1.675 -11.751 5.032 107 HB2 ARG 15 2HB ARG 15 -3.505 -13.300 4.732 108 HB3 ARG 15 1HB ARG 15 -4.166 -11.673 4.572 109 HG2 ARG 15 2HG ARG 15 -4.119 -11.835 2.148 110 HG3 ARG 15 1HG ARG 15 -3.303 -13.397 2.234 111 HD2 ARG 15 2HD ARG 15 -6.099 -12.792 3.267 112 HD3 ARG 15 1HD ARG 15 -5.695 -13.778 1.849 113 HE ARG 15 HE ARG 15 -5.411 -14.611 4.634 114 HH11 ARG 15 1HH2 ARG 15 -4.314 -14.945 1.378 115 HH12 ARG 15 2HH2 ARG 15 -3.640 -16.519 1.630 116 HH21 ARG 15 1HH1 ARG 15 -4.532 -16.664 4.976 117 HH22 ARG 15 2HH1 ARG 15 -3.762 -17.490 3.663 118 H LYS 16 H LYS 16 -0.912 -11.291 1.830 119 HA LYS 16 HA LYS 16 0.187 -14.069 1.541 120 HB2 LYS 16 2HB LYS 16 -1.559 -12.978 -0.091 121 HB3 LYS 16 1HB LYS 16 -0.160 -12.094 -0.704 122 HG2 LYS 16 2HG LYS 16 0.979 -14.110 -1.298 123 HG3 LYS 16 1HG LYS 16 -0.168 -15.103 -0.399 124 HD2 LYS 16 2HD LYS 16 -1.693 -15.088 -2.085 125 HD3 LYS 16 1HD LYS 16 -1.396 -13.390 -2.465 126 HE2 LYS 16 2HE LYS 16 0.374 -13.887 -3.913 127 HE3 LYS 16 1HE LYS 16 0.708 -15.443 -3.126 128 HZ1 LYS 16 3HZ LYS 16 -1.463 -14.734 -4.984 129 HZ2 LYS 16 1HZ LYS 16 -1.720 -15.955 -3.837 130 HZ3 LYS 16 2HZ LYS 16 -0.469 -16.110 -4.974 131 H GLY 17 H GLY 17 1.291 -11.392 2.788 132 HA2 GLY 17 2HA GLY 17 3.445 -10.470 2.987 133 HA3 GLY 17 1HA GLY 17 4.031 -11.830 2.023 134 H PHE 18 H PHE 18 1.495 -10.066 0.559 135 HA PHE 18 HA PHE 18 2.819 -9.402 -1.800 136 HB2 PHE 18 2HB PHE 18 0.353 -8.924 -0.533 137 HB3 PHE 18 1HB PHE 18 0.953 -7.331 -0.995 138 HD1 PHE 18 2HD PHE 18 0.395 -10.779 -2.318 139 HD2 PHE 18 1HD PHE 18 0.827 -6.605 -3.235 140 HE1 PHE 18 2HE PHE 18 -0.211 -11.235 -4.679 141 HE2 PHE 18 1HE PHE 18 0.223 -7.063 -5.598 142 HZ PHE 18 HZ PHE 18 -0.297 -9.378 -6.318 143 H CYS 19 H CYS 19 2.726 -7.557 1.236 144 HA CYS 19 HA CYS 19 3.959 -5.158 0.280 145 HB2 CYS 19 2HB CYS 19 4.232 -6.446 3.012 146 HB3 CYS 19 1HB CYS 19 4.311 -4.726 2.633 147 H ASP 20 H ASP 20 5.214 -8.314 0.613 148 HA ASP 20 HA ASP 20 8.021 -7.256 0.528 149 HB2 ASP 20 2HB ASP 20 6.867 -8.784 2.473 150 HB3 ASP 20 1HB ASP 20 7.502 -10.040 1.405 151 H VAL 21 H VAL 21 5.919 -9.985 -0.452 152 HA VAL 21 HA VAL 21 7.757 -11.070 -2.393 153 HB VAL 21 HB VAL 21 4.731 -11.241 -2.251 154 HG11 VAL 21 1HG1 VAL 21 5.954 -13.691 -2.965 155 HG12 VAL 21 2HG1 VAL 21 6.736 -12.443 -3.936 156 HG13 VAL 21 3HG1 VAL 21 4.984 -12.638 -3.994 157 HG21 VAL 21 3HG2 VAL 21 4.891 -12.652 -0.464 158 HG22 VAL 21 1HG2 VAL 21 6.415 -11.813 -0.180 159 HG23 VAL 21 2HG2 VAL 21 6.404 -13.358 -1.030 160 H ARG 22 H ARG 22 4.707 -9.262 -2.866 161 HA ARG 22 HA ARG 22 5.569 -8.564 -5.630 162 HB2 ARG 22 2HB ARG 22 2.907 -7.971 -4.331 163 HB3 ARG 22 1HB ARG 22 3.254 -8.275 -6.034 164 HG2 ARG 22 2HG ARG 22 4.126 -10.577 -4.639 165 HG3 ARG 22 1HG ARG 22 2.547 -10.167 -3.965 166 HD2 ARG 22 2HD ARG 22 1.787 -11.351 -5.774 167 HD3 ARG 22 1HD ARG 22 2.072 -9.829 -6.642 168 HE ARG 22 HE ARG 22 4.533 -10.867 -6.793 169 HH11 ARG 22 1HH2 ARG 22 1.456 -12.413 -7.163 170 HH12 ARG 22 2HH2 ARG 22 2.071 -13.660 -8.189 171 HH21 ARG 22 1HH1 ARG 22 5.328 -12.486 -8.135 172 HH22 ARG 22 2HH1 ARG 22 4.253 -13.701 -8.742 173 H GLN 23 H GLN 23 5.922 -7.273 -2.628 174 HA GLN 23 HA GLN 23 5.106 -4.722 -2.333 175 HB2 GLN 23 2HB GLN 23 7.170 -4.338 -1.217 176 HB3 GLN 23 1HB GLN 23 6.946 -6.088 -1.160 177 HG2 GLN 23 2HG GLN 23 8.386 -6.311 -3.181 178 HG3 GLN 23 1HG GLN 23 8.666 -4.567 -3.144 179 HE21 GLN 23 1HE2 GLN 23 10.308 -7.246 -2.430 180 HE22 GLN 23 2HE2 GLN 23 11.126 -6.773 -1.020 181 H ARG 24 H ARG 24 7.446 -5.707 -4.845 182 HA ARG 24 HA ARG 24 8.233 -3.165 -5.786 183 HB2 ARG 24 2HB ARG 24 7.706 -5.819 -7.151 184 HB3 ARG 24 1HB ARG 24 8.450 -4.456 -7.988 185 HG2 ARG 24 2HG ARG 24 9.992 -4.471 -5.790 186 HG3 ARG 24 1HG ARG 24 9.554 -6.180 -5.822 187 HD2 ARG 24 2HD ARG 24 10.171 -5.676 -8.476 188 HD3 ARG 24 1HD ARG 24 11.360 -4.697 -7.594 189 HE ARG 24 HE ARG 24 10.965 -7.407 -6.526 190 HH11 ARG 24 1HH2 ARG 24 12.713 -5.320 -8.655 191 HH12 ARG 24 2HH2 ARG 24 14.130 -6.314 -8.670 192 HH21 ARG 24 1HH1 ARG 24 12.807 -8.708 -6.543 193 HH22 ARG 24 2HH1 ARG 24 14.184 -8.227 -7.478 194 H LEU 25 H LEU 25 5.273 -5.004 -6.408 195 HA LEU 25 HA LEU 25 4.242 -2.856 -8.192 196 HB2 LEU 25 2HB LEU 25 3.801 -4.941 -9.130 197 HB3 LEU 25 1HB LEU 25 3.646 -5.725 -7.559 198 HG LEU 25 HG LEU 25 1.611 -3.659 -8.265 199 HD11 LEU 25 1HD1 LEU 25 0.313 -5.665 -9.327 200 HD12 LEU 25 2HD1 LEU 25 1.920 -6.336 -9.605 201 HD13 LEU 25 3HD1 LEU 25 1.476 -4.786 -10.318 202 HD21 LEU 25 3HD2 LEU 25 1.866 -6.146 -6.620 203 HD22 LEU 25 1HD2 LEU 25 0.261 -5.699 -7.199 204 HD23 LEU 25 2HD2 LEU 25 1.175 -4.583 -6.184 205 H MET 26 H MET 26 3.669 -4.398 -5.054 206 HA MET 26 HA MET 26 1.167 -3.223 -4.385 207 HB2 MET 26 2HB MET 26 2.509 -5.067 -3.243 208 HB3 MET 26 1HB MET 26 3.492 -3.788 -2.529 209 HG2 MET 26 2HG MET 26 1.743 -4.396 -0.957 210 HG3 MET 26 1HG MET 26 1.408 -2.781 -1.582 211 HE1 MET 26 3HE MET 26 -1.885 -4.972 -0.887 212 HE2 MET 26 1HE MET 26 -0.517 -4.197 -0.074 213 HE3 MET 26 2HE MET 26 -0.410 -5.884 -0.570 214 H LYS 27 H LYS 27 4.277 -1.795 -4.737 215 HA LYS 27 HA LYS 27 4.134 0.357 -2.857 216 HB2 LYS 27 2HB LYS 27 5.982 -0.641 -4.503 217 HB3 LYS 27 1HB LYS 27 5.412 0.661 -5.546 218 HG2 LYS 27 2HG LYS 27 5.927 2.326 -3.892 219 HG3 LYS 27 1HG LYS 27 6.238 1.094 -2.668 220 HD2 LYS 27 2HD LYS 27 8.136 0.248 -4.037 221 HD3 LYS 27 1HD LYS 27 7.854 1.553 -5.193 222 HE2 LYS 27 2HE LYS 27 8.222 3.213 -3.350 223 HE3 LYS 27 1HE LYS 27 8.634 1.865 -2.271 224 HZ1 LYS 27 3HZ LYS 27 10.659 2.587 -3.228 225 HZ2 LYS 27 1HZ LYS 27 9.996 2.653 -4.787 226 HZ3 LYS 27 2HZ LYS 27 10.248 1.151 -4.034 227 H ARG 28 H ARG 28 2.943 0.055 -6.204 228 HA ARG 28 HA ARG 28 1.901 2.838 -6.109 229 HB2 ARG 28 2HB ARG 28 1.877 0.779 -8.333 230 HB3 ARG 28 1HB ARG 28 1.671 2.522 -8.495 231 HG2 ARG 28 2HG ARG 28 3.906 2.923 -8.361 232 HG3 ARG 28 1HG ARG 28 4.152 1.706 -7.114 233 HD2 ARG 28 2HD ARG 28 3.659 0.013 -9.085 234 HD3 ARG 28 1HD ARG 28 4.167 1.379 -10.097 235 HE ARG 28 HE ARG 28 6.006 1.124 -7.927 236 HH11 ARG 28 1HH2 ARG 28 4.966 -0.459 -10.816 237 HH12 ARG 28 2HH2 ARG 28 6.492 -1.224 -11.099 238 HH21 ARG 28 1HH1 ARG 28 8.003 0.128 -8.291 239 HH22 ARG 28 2HH1 ARG 28 8.208 -0.891 -9.677 240 H LEU 29 H LEU 29 0.797 -0.446 -5.806 241 HA LEU 29 HA LEU 29 -1.996 0.217 -6.501 242 HB2 LEU 29 2HB LEU 29 -0.494 -2.249 -5.602 243 HB3 LEU 29 1HB LEU 29 -2.247 -2.248 -5.834 244 HG LEU 29 HG LEU 29 -0.122 -1.655 -7.914 245 HD11 LEU 29 1HD1 LEU 29 -1.048 -3.589 -9.049 246 HD12 LEU 29 2HD1 LEU 29 -2.338 -3.722 -7.853 247 HD13 LEU 29 3HD1 LEU 29 -0.668 -4.052 -7.391 248 HD21 LEU 29 3HD2 LEU 29 -2.422 -1.630 -9.316 249 HD22 LEU 29 1HD2 LEU 29 -1.717 -0.161 -8.638 250 HD23 LEU 29 2HD2 LEU 29 -3.023 -0.985 -7.787 251 H CYS 30 H CYS 30 -0.359 -1.081 -3.554 252 HA CYS 30 HA CYS 30 -2.426 0.368 -1.937 253 HB2 CYS 30 2HB CYS 30 -2.755 -2.176 -2.430 254 HB3 CYS 30 1HB CYS 30 -1.475 -2.392 -1.230 255 HA PRO 31 HA PRO 31 1.758 1.084 -0.195 256 HB2 PRO 31 2HB PRO 31 1.533 3.797 0.005 257 HB3 PRO 31 1HB PRO 31 2.072 2.983 -1.478 258 HG2 PRO 31 2HG PRO 31 -0.542 4.210 -0.840 259 HG3 PRO 31 1HG PRO 31 0.289 4.055 -2.395 260 HD2 PRO 31 2HD PRO 31 -1.830 2.471 -1.501 261 HD3 PRO 31 1HD PRO 31 -0.745 2.096 -2.858 262 H ARG 32 H ARG 32 -1.469 1.555 0.757 263 HA ARG 32 HA ARG 32 -1.026 2.826 3.337 264 HB2 ARG 32 2HB ARG 32 -3.155 3.025 2.261 265 HB3 ARG 32 1HB ARG 32 -3.278 1.279 2.037 266 HG2 ARG 32 2HG ARG 32 -2.877 1.912 4.835 267 HG3 ARG 32 1HG ARG 32 -4.279 2.777 4.203 268 HD2 ARG 32 2HD ARG 32 -4.170 0.002 3.257 269 HD3 ARG 32 1HD ARG 32 -4.285 0.124 5.025 270 HE ARG 32 HE ARG 32 -6.068 2.031 3.872 271 HH11 ARG 32 1HH2 ARG 32 -5.601 -1.376 4.214 272 HH12 ARG 32 2HH2 ARG 32 -7.294 -1.740 4.179 273 HH21 ARG 32 1HH1 ARG 32 -8.276 1.567 3.828 274 HH22 ARG 32 2HH1 ARG 32 -8.809 -0.075 3.959 275 H SER 33 H SER 33 -2.400 -0.425 2.763 276 HA SER 33 HA SER 33 -1.966 -1.549 5.258 277 HB2 SER 33 2HB SER 33 -2.129 -2.497 2.451 278 HB3 SER 33 1HB SER 33 -1.466 -3.655 3.606 279 HG SER 33 HG SER 33 -3.366 -3.080 4.923 280 H CYS 34 H CYS 34 0.319 -1.969 2.524 281 HA CYS 34 HA CYS 34 2.440 -2.984 4.218 282 HB2 CYS 34 2HB CYS 34 2.630 -1.759 1.454 283 HB3 CYS 34 1HB CYS 34 3.677 -2.995 2.154 284 H ASP 35 H ASP 35 1.303 0.174 3.493 285 HA ASP 35 HA ASP 35 2.120 2.306 4.090 286 HB2 ASP 35 2HB ASP 35 3.919 0.584 5.829 287 HB3 ASP 35 1HB ASP 35 3.539 2.290 6.092 288 H PHE 36 H PHE 36 3.161 1.599 1.674 289 HA PHE 36 HA PHE 36 6.072 1.463 1.625 290 HB2 PHE 36 2HB PHE 36 3.846 1.974 -0.349 291 HB3 PHE 36 1HB PHE 36 5.531 2.211 -0.829 292 HD1 PHE 36 2HD PHE 36 7.113 0.353 -0.887 293 HD2 PHE 36 1HD PHE 36 2.993 -0.260 0.154 294 HE1 PHE 36 2HE PHE 36 7.395 -2.089 -1.218 295 HE2 PHE 36 1HE PHE 36 3.271 -2.700 -0.177 296 HZ PHE 36 HZ PHE 36 5.471 -3.616 -0.864 297 H CYS 37 H CYS 37 3.810 3.981 2.178 298 HA CYS 37 HA CYS 37 5.855 6.060 1.482 299 HB2 CYS 37 2HB CYS 37 2.960 5.778 1.200 300 HB3 CYS 37 1HB CYS 37 3.395 7.282 2.017 301 HXT CYS 37 2H CYS 37 4.143 6.143 5.245
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