NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
644407 | 6qes | 34348 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 -12.362 4.046 -8.667 2 H2 LEU 1 H2 LEU 1 -13.105 4.342 -7.255 3 H3 LEU 1 H3 LEU 1 -13.551 3.067 -8.152 4 HA LEU 1 HA LEU 1 -11.452 2.010 -7.842 5 HB2 LEU 1 HB2 LEU 1 -10.931 4.514 -6.256 6 HB3 LEU 1 HB3 LEU 1 -10.032 3.040 -5.968 7 HG LEU 1 HG LEU 1 -9.408 3.146 -8.460 8 HD11 LEU 1 HD11 LEU 1 -10.341 5.981 -8.052 9 HD12 LEU 1 HD12 LEU 1 -11.010 4.806 -9.180 10 HD13 LEU 1 HD13 LEU 1 -9.374 5.412 -9.409 11 HD21 LEU 1 HD21 LEU 1 -8.372 5.233 -6.548 12 HD22 LEU 1 HD22 LEU 1 -7.545 4.655 -7.993 13 HD23 LEU 1 HD23 LEU 1 -7.840 3.555 -6.648 14 HA PRO 2 HA PRO 2 -13.144 -0.603 -4.761 15 HB2 PRO 2 HB2 PRO 2 -10.489 -0.038 -3.484 16 HB3 PRO 2 HB3 PRO 2 -11.382 -1.560 -3.556 17 HG2 PRO 2 HG2 PRO 2 -9.444 -1.072 -5.295 18 HG3 PRO 2 HG3 PRO 2 -10.946 -1.856 -5.826 19 HD2 PRO 2 HD2 PRO 2 -9.951 0.867 -6.373 20 HD3 PRO 2 HD3 PRO 2 -11.135 -0.104 -7.269 21 H ARG 3 H ARG 3 -11.053 1.220 -2.551 22 HA ARG 3 HA ARG 3 -13.185 2.775 -1.487 23 HB2 ARG 3 HB2 ARG 3 -13.403 1.686 0.697 24 HB3 ARG 3 HB3 ARG 3 -13.887 0.626 -0.603 25 HG2 ARG 3 HG2 ARG 3 -11.914 -0.677 -0.395 26 HG3 ARG 3 HG3 ARG 3 -11.193 0.491 0.713 27 HD2 ARG 3 HD2 ARG 3 -13.739 -0.996 1.312 28 HD3 ARG 3 HD3 ARG 3 -12.143 -1.577 1.789 29 HE ARG 3 HE ARG 3 -12.136 0.892 2.818 30 HH11 ARG 3 HH11 ARG 3 -14.534 -1.661 2.981 31 HH12 ARG 3 HH12 ARG 3 -15.143 -1.166 4.527 32 HH21 ARG 3 HH21 ARG 3 -12.948 1.549 4.851 33 HH22 ARG 3 HH22 ARG 3 -14.242 0.665 5.593 34 H ASP 4 H ASP 4 -10.054 1.304 -0.560 35 HA ASP 4 HA ASP 4 -9.328 3.866 0.695 36 HB2 ASP 4 HB2 ASP 4 -8.593 1.018 1.312 37 HB3 ASP 4 HB3 ASP 4 -7.541 2.338 1.799 38 H THR 5 H THR 5 -8.837 2.107 -2.055 39 HA THR 5 HA THR 5 -6.108 2.220 -2.550 40 HB THR 5 HB THR 5 -8.193 2.775 -4.652 41 HG1 THR 5 HG1 THR 5 -7.655 0.140 -4.354 42 HG21 THR 5 HG21 THR 5 -5.836 2.834 -5.349 43 HG22 THR 5 HG22 THR 5 -6.689 1.468 -6.071 44 HG23 THR 5 HG23 THR 5 -5.608 1.207 -4.702 45 H SER 6 H SER 6 -8.616 4.640 -3.253 46 HA SER 6 HA SER 6 -6.927 6.545 -4.457 47 HB2 SER 6 HB2 SER 6 -9.508 7.082 -2.968 48 HB3 SER 6 HB3 SER 6 -8.794 8.058 -4.250 49 HG SER 6 HG SER 6 -10.398 6.805 -5.152 50 H ARG 7 H ARG 7 -7.638 5.776 -1.170 51 HA ARG 7 HA ARG 7 -6.845 8.184 0.060 52 HB2 ARG 7 HB2 ARG 7 -8.161 6.653 1.297 53 HB3 ARG 7 HB3 ARG 7 -7.050 5.331 0.988 54 HG2 ARG 7 HG2 ARG 7 -5.411 6.315 2.455 55 HG3 ARG 7 HG3 ARG 7 -6.441 7.728 2.704 56 HD2 ARG 7 HD2 ARG 7 -8.172 6.270 3.662 57 HD3 ARG 7 HD3 ARG 7 -7.115 4.879 3.437 58 HE ARG 7 HE ARG 7 -5.892 6.930 4.986 59 HH11 ARG 7 HH11 ARG 7 -8.122 4.249 5.105 60 HH12 ARG 7 HH12 ARG 7 -7.910 3.974 6.808 61 HH21 ARG 7 HH21 ARG 7 -5.584 6.567 7.237 62 HH22 ARG 7 HH22 ARG 7 -6.446 5.275 8.013 63 H CYS 8 H CYS 8 -5.106 5.139 -0.520 64 HA CYS 8 HA CYS 8 -2.693 6.086 0.637 65 HB2 CYS 8 HB2 CYS 8 -3.068 3.741 -1.207 66 HB3 CYS 8 HB3 CYS 8 -1.813 3.972 0.011 67 H VAL 9 H VAL 9 -3.881 5.791 -2.692 68 HA VAL 9 HA VAL 9 -1.362 6.522 -3.846 69 HB VAL 9 HB VAL 9 -3.072 5.225 -5.099 70 HG11 VAL 9 HG11 VAL 9 -4.597 7.814 -5.222 71 HG12 VAL 9 HG12 VAL 9 -5.055 6.380 -4.303 72 HG13 VAL 9 HG13 VAL 9 -5.004 6.317 -6.065 73 HG21 VAL 9 HG21 VAL 9 -2.345 7.842 -6.403 74 HG22 VAL 9 HG22 VAL 9 -2.803 6.358 -7.238 75 HG23 VAL 9 HG23 VAL 9 -1.310 6.419 -6.301 76 H GLY 10 H GLY 10 -3.914 8.231 -2.368 77 HA2 GLY 10 HA2 GLY 10 -3.437 10.808 -3.438 78 HA3 GLY 10 HA3 GLY 10 -4.136 10.461 -1.861 79 H TYR 11 H TYR 11 -1.656 8.779 -1.337 80 HA TYR 11 HA TYR 11 0.082 10.930 -0.442 81 HB2 TYR 11 HB2 TYR 11 0.090 7.943 0.046 82 HB3 TYR 11 HB3 TYR 11 1.360 9.005 0.638 83 HD1 TYR 11 HD1 TYR 11 0.997 10.458 2.500 84 HD2 TYR 11 HD2 TYR 11 -2.195 8.086 0.989 85 HE1 TYR 11 HE1 TYR 11 -0.307 10.934 4.524 86 HE2 TYR 11 HE2 TYR 11 -3.505 8.557 3.009 87 HH TYR 11 HH TYR 11 -2.636 10.975 5.242 88 H HIS 12 H HIS 12 1.916 8.182 -1.017 89 HA HIS 12 HA HIS 12 2.579 8.731 -3.778 90 HB2 HIS 12 HB2 HIS 12 4.726 9.109 -1.672 91 HB3 HIS 12 HB3 HIS 12 4.938 9.224 -3.409 92 HD1 HIS 12 HD1 HIS 12 4.202 11.432 -4.545 93 HD2 HIS 12 HD2 HIS 12 3.624 11.336 -0.433 94 HE1 HIS 12 HE1 HIS 12 3.752 13.813 -3.874 95 HE2 HIS 12 HE2 HIS 12 3.294 13.715 -1.397 96 H GLY 13 H GLY 13 2.498 6.660 -4.451 97 HA2 GLY 13 HA2 GLY 13 4.414 4.791 -4.086 98 HA3 GLY 13 HA3 GLY 13 3.337 4.504 -2.725 99 H TYR 14 H TYR 14 2.353 2.627 -3.253 100 HA TYR 14 HA TYR 14 0.424 2.639 -5.335 101 HB2 TYR 14 HB2 TYR 14 1.364 0.799 -6.696 102 HB3 TYR 14 HB3 TYR 14 2.289 2.285 -6.810 103 HD1 TYR 14 HD1 TYR 14 4.463 2.442 -5.475 104 HD2 TYR 14 HD2 TYR 14 2.375 -1.216 -6.073 105 HE1 TYR 14 HE1 TYR 14 6.514 1.191 -4.954 106 HE2 TYR 14 HE2 TYR 14 4.418 -2.474 -5.549 107 HH TYR 14 HH TYR 14 6.844 -2.122 -5.589 108 H CYS 15 H CYS 15 -0.441 0.338 -5.694 109 HA CYS 15 HA CYS 15 -0.749 -0.868 -3.025 110 HB2 CYS 15 HB2 CYS 15 -2.710 -0.732 -5.324 111 HB3 CYS 15 HB3 CYS 15 -3.011 -1.505 -3.772 112 H ILE 16 H ILE 16 -0.386 -3.015 -2.784 113 HA ILE 16 HA ILE 16 0.060 -4.594 -5.235 114 HB ILE 16 HB ILE 16 1.873 -5.780 -4.195 115 HG12 ILE 16 HG12 ILE 16 1.437 -4.021 -1.780 116 HG13 ILE 16 HG13 ILE 16 0.982 -5.714 -1.886 117 HG21 ILE 16 HG21 ILE 16 2.244 -2.812 -3.846 118 HG22 ILE 16 HG22 ILE 16 2.469 -3.726 -5.337 119 HG23 ILE 16 HG23 ILE 16 3.539 -4.003 -3.963 120 HD11 ILE 16 HD11 ILE 16 3.349 -6.298 -2.191 121 HD12 ILE 16 HD12 ILE 16 3.031 -5.492 -0.656 122 HD13 ILE 16 HD13 ILE 16 3.772 -4.599 -1.984 123 H ARG 17 H ARG 17 -0.388 -6.811 -5.069 124 HA ARG 17 HA ARG 17 -2.199 -7.586 -2.938 125 HB2 ARG 17 HB2 ARG 17 -2.005 -9.828 -4.404 126 HB3 ARG 17 HB3 ARG 17 -3.111 -8.524 -4.792 127 HG2 ARG 17 HG2 ARG 17 -2.006 -9.300 -6.787 128 HG3 ARG 17 HG3 ARG 17 -1.500 -7.656 -6.428 129 HD2 ARG 17 HD2 ARG 17 0.222 -9.750 -5.296 130 HD3 ARG 17 HD3 ARG 17 0.175 -9.708 -7.057 131 HE ARG 17 HE ARG 17 0.648 -7.151 -6.556 132 HH11 ARG 17 HH11 ARG 17 2.066 -9.979 -5.042 133 HH12 ARG 17 HH12 ARG 17 3.598 -9.212 -4.774 134 HH21 ARG 17 HH21 ARG 17 2.661 -6.148 -6.175 135 HH22 ARG 17 HH22 ARG 17 3.924 -7.035 -5.382 136 H SER 18 H SER 18 -0.710 -7.544 -1.249 137 HA SER 18 HA SER 18 0.455 -9.955 -0.504 138 HB2 SER 18 HB2 SER 18 2.125 -9.288 -2.300 139 HB3 SER 18 HB3 SER 18 2.533 -7.893 -1.302 140 HG SER 18 HG SER 18 2.929 -10.637 -0.772 141 H LYS 19 H LYS 19 1.357 -9.762 1.671 142 HA LYS 19 HA LYS 19 0.469 -7.271 2.933 143 HB2 LYS 19 HB2 LYS 19 1.117 -9.915 4.241 144 HB3 LYS 19 HB3 LYS 19 0.405 -8.514 5.025 145 HG2 LYS 19 HG2 LYS 19 -1.290 -8.996 2.906 146 HG3 LYS 19 HG3 LYS 19 -0.849 -10.609 3.459 147 HD2 LYS 19 HD2 LYS 19 -2.794 -9.971 4.662 148 HD3 LYS 19 HD3 LYS 19 -1.439 -9.857 5.784 149 HE2 LYS 19 HE2 LYS 19 -2.865 -7.931 6.054 150 HE3 LYS 19 HE3 LYS 19 -1.330 -7.426 5.351 151 HZ1 LYS 19 HZ1 LYS 19 -3.163 -6.390 4.240 152 HZ2 LYS 19 HZ2 LYS 19 -3.838 -7.824 3.878 153 HZ3 LYS 19 HZ3 LYS 19 -2.423 -7.401 3.199 154 H VAL 20 H VAL 20 3.209 -8.386 1.679 155 HA VAL 20 HA VAL 20 4.834 -6.929 3.656 156 HB VAL 20 HB VAL 20 5.767 -9.201 1.889 157 HG11 VAL 20 HG11 VAL 20 7.266 -7.581 3.949 158 HG12 VAL 20 HG12 VAL 20 7.490 -7.499 2.201 159 HG13 VAL 20 HG13 VAL 20 7.896 -8.977 3.073 160 HG21 VAL 20 HG21 VAL 20 6.102 -10.423 3.980 161 HG22 VAL 20 HG22 VAL 20 4.411 -9.976 3.769 162 HG23 VAL 20 HG23 VAL 20 5.431 -9.069 4.884 163 H CYS 21 H CYS 21 5.178 -4.990 2.836 164 HA CYS 21 HA CYS 21 5.185 -4.502 0.008 165 HB2 CYS 21 HB2 CYS 21 5.545 -2.744 2.427 166 HB3 CYS 21 HB3 CYS 21 5.719 -2.128 0.786 167 HA PRO 22 HA PRO 22 9.581 -4.867 -0.667 168 HB2 PRO 22 HB2 PRO 22 9.631 -3.303 -2.923 169 HB3 PRO 22 HB3 PRO 22 9.228 -5.025 -2.915 170 HG2 PRO 22 HG2 PRO 22 7.430 -2.651 -3.025 171 HG3 PRO 22 HG3 PRO 22 7.274 -4.221 -3.828 172 HD2 PRO 22 HD2 PRO 22 5.839 -3.547 -1.637 173 HD3 PRO 22 HD3 PRO 22 6.339 -5.216 -1.979 174 H LYS 23 H LYS 23 11.374 -3.561 -0.312 175 HA LYS 23 HA LYS 23 10.704 -0.986 0.843 176 HB2 LYS 23 HB2 LYS 23 13.117 -2.762 1.032 177 HB3 LYS 23 HB3 LYS 23 13.196 -1.078 1.541 178 HG2 LYS 23 HG2 LYS 23 12.769 -2.496 3.447 179 HG3 LYS 23 HG3 LYS 23 11.363 -1.485 3.129 180 HD2 LYS 23 HD2 LYS 23 10.334 -3.409 1.924 181 HD3 LYS 23 HD3 LYS 23 11.701 -4.400 2.430 182 HE2 LYS 23 HE2 LYS 23 9.901 -2.934 4.348 183 HE3 LYS 23 HE3 LYS 23 9.641 -4.605 3.851 184 HZ1 LYS 23 HZ1 LYS 23 10.848 -4.412 5.931 185 HZ2 LYS 23 HZ2 LYS 23 12.061 -3.628 5.187 186 HZ3 LYS 23 HZ3 LYS 23 11.738 -5.172 4.802 187 HA PRO 24 HA PRO 24 11.752 0.531 1.565 188 HB2 PRO 24 HB2 PRO 24 12.026 3.168 1.463 189 HB3 PRO 24 HB3 PRO 24 13.438 2.108 1.404 190 HG2 PRO 24 HG2 PRO 24 12.083 3.590 -0.805 191 HG3 PRO 24 HG3 PRO 24 13.811 3.293 -0.551 192 HD2 PRO 24 HD2 PRO 24 12.103 1.831 -2.234 193 HD3 PRO 24 HD3 PRO 24 13.722 1.342 -1.702 194 H PHE 25 H PHE 25 9.640 0.142 1.835 195 HA PHE 25 HA PHE 25 7.812 2.340 1.467 196 HB2 PHE 25 HB2 PHE 25 7.416 -0.321 0.103 197 HB3 PHE 25 HB3 PHE 25 6.046 0.679 0.561 198 HD1 PHE 25 HD1 PHE 25 5.791 2.925 -0.431 199 HD2 PHE 25 HD2 PHE 25 8.696 0.165 -1.846 200 HE1 PHE 25 HE1 PHE 25 5.971 4.209 -2.513 201 HE2 PHE 25 HE2 PHE 25 8.895 1.444 -3.940 202 HZ PHE 25 HZ PHE 25 7.532 3.470 -4.276 203 H ALA 26 H ALA 26 5.863 2.033 2.736 204 HA ALA 26 HA ALA 26 6.243 0.047 4.885 205 HB1 ALA 26 HB1 ALA 26 5.038 2.805 5.084 206 HB2 ALA 26 HB2 ALA 26 6.633 2.329 5.666 207 HB3 ALA 26 HB3 ALA 26 5.184 1.646 6.403 208 H ALA 27 H ALA 27 4.417 -0.983 5.693 209 HA ALA 27 HA ALA 27 2.281 -1.355 3.826 210 HB1 ALA 27 HB1 ALA 27 1.398 -2.936 5.486 211 HB2 ALA 27 HB2 ALA 27 2.620 -2.396 6.638 212 HB3 ALA 27 HB3 ALA 27 3.107 -3.216 5.156 213 H PHE 28 H PHE 28 1.248 0.590 3.620 214 HA PHE 28 HA PHE 28 0.217 1.982 5.939 215 HB2 PHE 28 HB2 PHE 28 1.147 3.141 3.903 216 HB3 PHE 28 HB3 PHE 28 -0.235 2.566 2.994 217 HD1 PHE 28 HD1 PHE 28 1.083 5.200 4.920 218 HD2 PHE 28 HD2 PHE 28 -2.570 3.267 3.918 219 HE1 PHE 28 HE1 PHE 28 -0.159 7.210 5.584 220 HE2 PHE 28 HE2 PHE 28 -3.822 5.278 4.575 221 HZ PHE 28 HZ PHE 28 -2.615 7.253 5.409 222 H GLY 29 H GLY 29 -1.220 0.464 6.815 223 HA2 GLY 29 HA2 GLY 29 -3.283 -0.445 7.185 224 HA3 GLY 29 HA3 GLY 29 -3.885 0.858 6.176 225 H THR 30 H THR 30 -5.079 0.197 4.569 226 HA THR 30 HA THR 30 -4.346 -2.205 3.075 227 HB THR 30 HB THR 30 -6.845 -2.772 3.027 228 HG1 THR 30 HG1 THR 30 -7.146 -0.655 4.371 229 HG21 THR 30 HG21 THR 30 -6.646 -4.118 5.070 230 HG22 THR 30 HG22 THR 30 -5.239 -3.162 5.549 231 HG23 THR 30 HG23 THR 30 -5.174 -4.166 4.099 232 H CYS 31 H CYS 31 -4.696 -2.091 1.020 233 HA CYS 31 HA CYS 31 -5.917 0.282 -0.154 234 HB2 CYS 31 HB2 CYS 31 -4.014 -1.805 -1.086 235 HB3 CYS 31 HB3 CYS 31 -5.078 -1.099 -2.293 236 H SER 32 H SER 32 -6.699 -0.991 -2.572 237 HA SER 32 HA SER 32 -9.235 -1.258 -2.596 238 HB2 SER 32 HB2 SER 32 -7.631 -3.512 -3.752 239 HB3 SER 32 HB3 SER 32 -9.125 -2.823 -4.378 240 HG SER 32 HG SER 32 -7.310 -2.038 -5.522 241 H TRP 33 H TRP 33 -10.556 -1.880 -1.084 242 HA TRP 33 HA TRP 33 -11.755 -3.105 0.360 243 HB2 TRP 33 HB2 TRP 33 -10.632 -5.503 -1.098 244 HB3 TRP 33 HB3 TRP 33 -12.138 -5.419 -0.179 245 HD1 TRP 33 HD1 TRP 33 -11.058 -5.380 -3.630 246 HE1 TRP 33 HE1 TRP 33 -12.788 -4.225 -5.163 247 HE3 TRP 33 HE3 TRP 33 -13.820 -2.967 -0.076 248 HZ2 TRP 33 HZ2 TRP 33 -15.005 -2.494 -4.885 249 HZ3 TRP 33 HZ3 TRP 33 -15.698 -1.557 -0.785 250 HH2 TRP 33 HH2 TRP 33 -16.278 -1.334 -3.150 251 H ARG 34 H ARG 34 -10.263 -6.013 0.803 252 HA ARG 34 HA ARG 34 -8.226 -4.915 2.619 253 HB2 ARG 34 HB2 ARG 34 -8.717 -6.673 4.266 254 HB3 ARG 34 HB3 ARG 34 -10.090 -5.606 4.020 255 HG2 ARG 34 HG2 ARG 34 -11.178 -7.272 2.646 256 HG3 ARG 34 HG3 ARG 34 -9.778 -8.333 2.785 257 HD2 ARG 34 HD2 ARG 34 -11.575 -8.990 4.318 258 HD3 ARG 34 HD3 ARG 34 -10.120 -8.507 5.185 259 HE ARG 34 HE ARG 34 -11.759 -6.262 4.958 260 HH11 ARG 34 HH11 ARG 34 -11.821 -9.398 6.515 261 HH12 ARG 34 HH12 ARG 34 -12.794 -8.858 7.846 262 HH21 ARG 34 HH21 ARG 34 -13.038 -5.555 6.714 263 HH22 ARG 34 HH22 ARG 34 -13.490 -6.679 7.955 264 H GLN 35 H GLN 35 -8.129 -5.926 -0.075 265 HA GLN 35 HA GLN 35 -6.876 -8.559 0.185 266 HB2 GLN 35 HB2 GLN 35 -7.718 -7.012 -2.270 267 HB3 GLN 35 HB3 GLN 35 -7.121 -8.667 -2.247 268 HG2 GLN 35 HG2 GLN 35 -9.562 -7.818 -0.740 269 HG3 GLN 35 HG3 GLN 35 -9.616 -8.351 -2.414 270 HE21 GLN 35 HE21 GLN 35 -9.033 -9.291 0.875 271 HE22 GLN 35 HE22 GLN 35 -9.094 -10.997 0.615 272 H LYS 36 H LYS 36 -6.268 -5.275 -0.897 273 HA LYS 36 HA LYS 36 -3.492 -6.034 -1.489 274 HB2 LYS 36 HB2 LYS 36 -4.704 -3.424 -2.330 275 HB3 LYS 36 HB3 LYS 36 -3.376 -4.306 -3.055 276 HG2 LYS 36 HG2 LYS 36 -4.988 -6.007 -3.833 277 HG3 LYS 36 HG3 LYS 36 -6.304 -5.008 -3.203 278 HD2 LYS 36 HD2 LYS 36 -6.268 -4.291 -5.369 279 HD3 LYS 36 HD3 LYS 36 -5.120 -3.157 -4.663 280 HE2 LYS 36 HE2 LYS 36 -4.077 -3.908 -6.616 281 HE3 LYS 36 HE3 LYS 36 -3.318 -4.836 -5.325 282 HZ1 LYS 36 HZ1 LYS 36 -4.756 -6.667 -5.880 283 HZ2 LYS 36 HZ2 LYS 36 -3.917 -6.219 -7.196 284 HZ3 LYS 36 HZ3 LYS 36 -5.484 -5.809 -7.056 285 H THR 37 H THR 37 -1.818 -4.885 -0.558 286 HA THR 37 HA THR 37 -2.557 -3.211 1.740 287 HB THR 37 HB THR 37 0.148 -4.415 1.092 288 HG1 THR 37 HG1 THR 37 -0.775 -6.226 1.678 289 HG21 THR 37 HG21 THR 37 0.230 -2.515 2.635 290 HG22 THR 37 HG22 THR 37 0.608 -4.022 3.473 291 HG23 THR 37 HG23 THR 37 -0.984 -3.285 3.657 292 H CYS 38 H CYS 38 -1.687 -1.090 1.953 293 HA CYS 38 HA CYS 38 -0.935 0.112 -0.574 294 HB2 CYS 38 HB2 CYS 38 -1.279 1.359 2.147 295 HB3 CYS 38 HB3 CYS 38 -1.178 2.216 0.616 296 H CYS 39 H CYS 39 1.085 0.572 -1.165 297 HA CYS 39 HA CYS 39 3.181 0.424 0.895 298 HB2 CYS 39 HB2 CYS 39 3.421 -0.028 -2.088 299 HB3 CYS 39 HB3 CYS 39 4.714 -0.208 -0.904 300 H VAL 40 H VAL 40 3.674 2.401 1.532 301 HA VAL 40 HA VAL 40 4.386 4.381 -0.504 302 HB VAL 40 HB VAL 40 3.388 6.179 0.987 303 HG11 VAL 40 HG11 VAL 40 2.387 5.425 -1.154 304 HG12 VAL 40 HG12 VAL 40 1.196 6.001 0.016 305 HG13 VAL 40 HG13 VAL 40 1.409 4.268 -0.244 306 HG21 VAL 40 HG21 VAL 40 1.569 5.531 2.452 307 HG22 VAL 40 HG22 VAL 40 3.079 4.782 2.972 308 HG23 VAL 40 HG23 VAL 40 1.878 3.831 2.097 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 -13.874 4.120 -7.323 2 H2 LEU 1 H2 LEU 1 -12.735 5.138 -7.868 3 H3 LEU 1 H3 LEU 1 -13.246 5.244 -6.330 4 HA LEU 1 HA LEU 1 -11.776 3.004 -7.495 5 HB2 LEU 1 HB2 LEU 1 -10.960 5.127 -5.505 6 HB3 LEU 1 HB3 LEU 1 -10.036 3.670 -5.797 7 HG LEU 1 HG LEU 1 -10.034 4.504 -8.281 8 HD11 LEU 1 HD11 LEU 1 -10.478 7.083 -6.788 9 HD12 LEU 1 HD12 LEU 1 -11.577 6.359 -7.960 10 HD13 LEU 1 HD13 LEU 1 -9.993 6.934 -8.476 11 HD21 LEU 1 HD21 LEU 1 -8.354 5.749 -6.114 12 HD22 LEU 1 HD22 LEU 1 -7.965 5.753 -7.833 13 HD23 LEU 1 HD23 LEU 1 -8.041 4.230 -6.951 14 HA PRO 2 HA PRO 2 -13.082 -0.037 -4.618 15 HB2 PRO 2 HB2 PRO 2 -10.354 0.340 -3.444 16 HB3 PRO 2 HB3 PRO 2 -11.240 -1.157 -3.741 17 HG2 PRO 2 HG2 PRO 2 -9.366 -0.300 -5.435 18 HG3 PRO 2 HG3 PRO 2 -10.843 -1.092 -6.022 19 HD2 PRO 2 HD2 PRO 2 -10.016 1.721 -6.241 20 HD3 PRO 2 HD3 PRO 2 -11.226 0.827 -7.178 21 H ARG 3 H ARG 3 -10.789 1.537 -2.418 22 HA ARG 3 HA ARG 3 -12.823 2.800 -0.865 23 HB2 ARG 3 HB2 ARG 3 -12.581 1.363 1.149 24 HB3 ARG 3 HB3 ARG 3 -13.336 0.551 -0.203 25 HG2 ARG 3 HG2 ARG 3 -11.398 -0.719 -0.656 26 HG3 ARG 3 HG3 ARG 3 -10.423 0.259 0.442 27 HD2 ARG 3 HD2 ARG 3 -12.800 -1.280 1.415 28 HD3 ARG 3 HD3 ARG 3 -11.220 -2.040 1.251 29 HE ARG 3 HE ARG 3 -10.788 0.267 2.696 30 HH11 ARG 3 HH11 ARG 3 -12.762 -2.609 3.083 31 HH12 ARG 3 HH12 ARG 3 -12.607 -2.630 4.808 32 HH21 ARG 3 HH21 ARG 3 -10.579 0.223 4.958 33 HH22 ARG 3 HH22 ARG 3 -11.366 -1.021 5.876 34 H ASP 4 H ASP 4 -9.542 1.429 -0.758 35 HA ASP 4 HA ASP 4 -8.712 3.819 0.751 36 HB2 ASP 4 HB2 ASP 4 -7.884 0.948 1.046 37 HB3 ASP 4 HB3 ASP 4 -6.802 2.237 1.554 38 H THR 5 H THR 5 -8.493 2.323 -2.172 39 HA THR 5 HA THR 5 -5.854 2.477 -2.970 40 HB THR 5 HB THR 5 -8.102 3.343 -4.761 41 HG1 THR 5 HG1 THR 5 -7.675 0.636 -4.643 42 HG21 THR 5 HG21 THR 5 -5.687 1.582 -5.205 43 HG22 THR 5 HG22 THR 5 -5.804 3.283 -5.655 44 HG23 THR 5 HG23 THR 5 -6.846 2.091 -6.432 45 H SER 6 H SER 6 -8.349 5.003 -3.332 46 HA SER 6 HA SER 6 -6.602 6.941 -4.397 47 HB2 SER 6 HB2 SER 6 -8.510 8.525 -3.689 48 HB3 SER 6 HB3 SER 6 -8.893 7.253 -4.848 49 HG SER 6 HG SER 6 -10.043 7.704 -2.529 50 H ARG 7 H ARG 7 -7.387 5.998 -1.167 51 HA ARG 7 HA ARG 7 -6.337 8.216 0.236 52 HB2 ARG 7 HB2 ARG 7 -7.776 6.494 1.255 53 HB3 ARG 7 HB3 ARG 7 -6.514 5.300 1.020 54 HG2 ARG 7 HG2 ARG 7 -5.074 6.539 2.569 55 HG3 ARG 7 HG3 ARG 7 -6.385 7.695 2.837 56 HD2 ARG 7 HD2 ARG 7 -7.821 5.776 3.539 57 HD3 ARG 7 HD3 ARG 7 -6.399 4.744 3.446 58 HE ARG 7 HE ARG 7 -5.772 6.879 5.118 59 HH11 ARG 7 HH11 ARG 7 -7.912 4.112 5.020 60 HH12 ARG 7 HH12 ARG 7 -8.057 4.000 6.747 61 HH21 ARG 7 HH21 ARG 7 -5.954 6.730 7.404 62 HH22 ARG 7 HH22 ARG 7 -6.933 5.482 8.102 63 H CYS 8 H CYS 8 -4.967 5.228 -1.001 64 HA CYS 8 HA CYS 8 -2.386 5.532 0.123 65 HB2 CYS 8 HB2 CYS 8 -3.274 3.375 -0.609 66 HB3 CYS 8 HB3 CYS 8 -3.317 3.943 -2.275 67 H VAL 9 H VAL 9 -3.769 6.316 -3.042 68 HA VAL 9 HA VAL 9 -1.301 7.358 -4.075 69 HB VAL 9 HB VAL 9 -4.075 7.939 -5.110 70 HG11 VAL 9 HG11 VAL 9 -2.329 9.304 -6.097 71 HG12 VAL 9 HG12 VAL 9 -2.949 8.149 -7.277 72 HG13 VAL 9 HG13 VAL 9 -1.400 7.858 -6.489 73 HG21 VAL 9 HG21 VAL 9 -3.863 5.546 -4.840 74 HG22 VAL 9 HG22 VAL 9 -2.327 5.564 -5.709 75 HG23 VAL 9 HG23 VAL 9 -3.822 5.971 -6.552 76 H GLY 10 H GLY 10 -3.918 8.543 -2.183 77 HA2 GLY 10 HA2 GLY 10 -3.619 11.305 -2.411 78 HA3 GLY 10 HA3 GLY 10 -4.081 10.468 -0.933 79 H TYR 11 H TYR 11 -1.733 8.932 -0.644 80 HA TYR 11 HA TYR 11 0.242 10.908 0.125 81 HB2 TYR 11 HB2 TYR 11 0.155 7.893 0.387 82 HB3 TYR 11 HB3 TYR 11 1.513 8.874 0.926 83 HD1 TYR 11 HD1 TYR 11 1.491 9.917 3.015 84 HD2 TYR 11 HD2 TYR 11 -2.118 8.296 1.459 85 HE1 TYR 11 HE1 TYR 11 0.403 10.272 5.188 86 HE2 TYR 11 HE2 TYR 11 -3.220 8.643 3.627 87 HH TYR 11 HH TYR 11 -2.695 8.953 5.933 88 H HIS 12 H HIS 12 1.838 8.133 -0.823 89 HA HIS 12 HA HIS 12 2.081 8.684 -3.645 90 HB2 HIS 12 HB2 HIS 12 4.579 8.931 -1.947 91 HB3 HIS 12 HB3 HIS 12 4.456 9.147 -3.682 92 HD1 HIS 12 HD1 HIS 12 3.479 11.433 -4.516 93 HD2 HIS 12 HD2 HIS 12 3.980 11.135 -0.400 94 HE1 HIS 12 HE1 HIS 12 3.327 13.788 -3.645 95 HE2 HIS 12 HE2 HIS 12 3.812 13.601 -1.177 96 H GLY 13 H GLY 13 1.774 6.552 -4.227 97 HA2 GLY 13 HA2 GLY 13 3.808 4.680 -3.962 98 HA3 GLY 13 HA3 GLY 13 2.707 4.390 -2.625 99 H TYR 14 H TYR 14 1.858 2.460 -3.232 100 HA TYR 14 HA TYR 14 -0.021 2.407 -5.383 101 HB2 TYR 14 HB2 TYR 14 1.068 0.658 -6.733 102 HB3 TYR 14 HB3 TYR 14 1.980 2.159 -6.739 103 HD1 TYR 14 HD1 TYR 14 2.022 -1.365 -5.957 104 HD2 TYR 14 HD2 TYR 14 4.077 2.313 -5.360 105 HE1 TYR 14 HE1 TYR 14 4.031 -2.604 -5.283 106 HE2 TYR 14 HE2 TYR 14 6.091 1.081 -4.678 107 HH TYR 14 HH TYR 14 6.419 -2.297 -5.126 108 H CYS 15 H CYS 15 -0.646 -0.021 -5.803 109 HA CYS 15 HA CYS 15 -1.215 -1.104 -3.129 110 HB2 CYS 15 HB2 CYS 15 -2.751 -1.400 -5.719 111 HB3 CYS 15 HB3 CYS 15 -3.250 -2.022 -4.149 112 H ILE 16 H ILE 16 -0.669 -3.184 -2.622 113 HA ILE 16 HA ILE 16 0.046 -4.970 -4.851 114 HB ILE 16 HB ILE 16 1.902 -5.872 -3.734 115 HG12 ILE 16 HG12 ILE 16 1.145 -4.255 -1.302 116 HG13 ILE 16 HG13 ILE 16 0.899 -5.985 -1.484 117 HG21 ILE 16 HG21 ILE 16 2.407 -3.752 -4.771 118 HG22 ILE 16 HG22 ILE 16 3.381 -3.963 -3.317 119 HG23 ILE 16 HG23 ILE 16 1.975 -2.899 -3.290 120 HD11 ILE 16 HD11 ILE 16 2.843 -5.563 -0.127 121 HD12 ILE 16 HD12 ILE 16 3.544 -4.557 -1.394 122 HD13 ILE 16 HD13 ILE 16 3.333 -6.286 -1.659 123 H ARG 17 H ARG 17 -0.468 -7.146 -4.566 124 HA ARG 17 HA ARG 17 -2.243 -7.791 -2.358 125 HB2 ARG 17 HB2 ARG 17 -1.986 -10.140 -3.681 126 HB3 ARG 17 HB3 ARG 17 -3.170 -8.914 -4.092 127 HG2 ARG 17 HG2 ARG 17 -2.081 -9.767 -6.083 128 HG3 ARG 17 HG3 ARG 17 -1.697 -8.066 -5.849 129 HD2 ARG 17 HD2 ARG 17 0.233 -9.899 -4.630 130 HD3 ARG 17 HD3 ARG 17 0.113 -10.048 -6.382 131 HE ARG 17 HE ARG 17 0.358 -7.412 -6.133 132 HH11 ARG 17 HH11 ARG 17 2.121 -9.958 -4.505 133 HH12 ARG 17 HH12 ARG 17 3.594 -9.047 -4.418 134 HH21 ARG 17 HH21 ARG 17 2.288 -6.217 -6.030 135 HH22 ARG 17 HH22 ARG 17 3.687 -6.915 -5.279 136 H SER 18 H SER 18 -0.749 -7.636 -0.677 137 HA SER 18 HA SER 18 0.445 -9.964 0.224 138 HB2 SER 18 HB2 SER 18 2.111 -9.561 -1.595 139 HB3 SER 18 HB3 SER 18 2.482 -7.996 -0.876 140 HG SER 18 HG SER 18 3.078 -10.578 0.048 141 H LYS 19 H LYS 19 1.276 -9.649 2.373 142 HA LYS 19 HA LYS 19 0.711 -6.999 3.469 143 HB2 LYS 19 HB2 LYS 19 1.403 -9.561 4.916 144 HB3 LYS 19 HB3 LYS 19 0.839 -8.070 5.656 145 HG2 LYS 19 HG2 LYS 19 -0.715 -9.859 3.806 146 HG3 LYS 19 HG3 LYS 19 -0.953 -9.671 5.538 147 HD2 LYS 19 HD2 LYS 19 -1.343 -7.533 3.446 148 HD3 LYS 19 HD3 LYS 19 -2.624 -8.423 4.265 149 HE2 LYS 19 HE2 LYS 19 -2.000 -7.452 6.385 150 HE3 LYS 19 HE3 LYS 19 -0.608 -6.659 5.651 151 HZ1 LYS 19 HZ1 LYS 19 -3.428 -6.085 5.082 152 HZ2 LYS 19 HZ2 LYS 19 -2.181 -5.418 4.282 153 HZ3 LYS 19 HZ3 LYS 19 -2.382 -5.114 5.868 154 H VAL 20 H VAL 20 3.173 -8.129 1.916 155 HA VAL 20 HA VAL 20 5.188 -6.999 3.743 156 HB VAL 20 HB VAL 20 5.648 -9.161 1.681 157 HG11 VAL 20 HG11 VAL 20 7.885 -9.316 2.659 158 HG12 VAL 20 HG12 VAL 20 7.508 -7.966 3.731 159 HG13 VAL 20 HG13 VAL 20 7.580 -7.712 1.989 160 HG21 VAL 20 HG21 VAL 20 5.569 -9.354 4.690 161 HG22 VAL 20 HG22 VAL 20 6.033 -10.650 3.588 162 HG23 VAL 20 HG23 VAL 20 4.384 -10.027 3.569 163 H CYS 21 H CYS 21 5.412 -4.976 2.975 164 HA CYS 21 HA CYS 21 5.425 -4.434 0.145 165 HB2 CYS 21 HB2 CYS 21 5.788 -2.700 2.587 166 HB3 CYS 21 HB3 CYS 21 5.939 -2.076 0.947 167 HA PRO 22 HA PRO 22 9.837 -4.700 -0.363 168 HB2 PRO 22 HB2 PRO 22 10.021 -3.337 -2.696 169 HB3 PRO 22 HB3 PRO 22 9.452 -5.008 -2.602 170 HG2 PRO 22 HG2 PRO 22 7.905 -2.488 -2.922 171 HG3 PRO 22 HG3 PRO 22 7.606 -4.091 -3.607 172 HD2 PRO 22 HD2 PRO 22 6.269 -3.045 -1.440 173 HD3 PRO 22 HD3 PRO 22 6.423 -4.776 -1.787 174 H LYS 23 H LYS 23 11.672 -3.304 -0.269 175 HA LYS 23 HA LYS 23 10.942 -0.734 0.893 176 HB2 LYS 23 HB2 LYS 23 13.410 -2.433 1.101 177 HB3 LYS 23 HB3 LYS 23 13.430 -0.739 1.581 178 HG2 LYS 23 HG2 LYS 23 13.070 -2.083 3.526 179 HG3 LYS 23 HG3 LYS 23 11.580 -1.215 3.161 180 HD2 LYS 23 HD2 LYS 23 10.734 -3.269 2.035 181 HD3 LYS 23 HD3 LYS 23 12.183 -4.113 2.582 182 HE2 LYS 23 HE2 LYS 23 10.126 -2.804 4.358 183 HE3 LYS 23 HE3 LYS 23 10.273 -4.534 4.057 184 HZ1 LYS 23 HZ1 LYS 23 11.323 -3.933 6.106 185 HZ2 LYS 23 HZ2 LYS 23 12.286 -2.850 5.368 186 HZ3 LYS 23 HZ3 LYS 23 12.460 -4.435 5.054 187 HA PRO 24 HA PRO 24 11.816 0.841 1.533 188 HB2 PRO 24 HB2 PRO 24 12.013 3.481 1.345 189 HB3 PRO 24 HB3 PRO 24 13.456 2.462 1.393 190 HG2 PRO 24 HG2 PRO 24 12.190 3.851 -0.918 191 HG3 PRO 24 HG3 PRO 24 13.904 3.555 -0.585 192 HD2 PRO 24 HD2 PRO 24 12.225 2.039 -2.276 193 HD3 PRO 24 HD3 PRO 24 13.852 1.604 -1.728 194 H PHE 25 H PHE 25 9.701 0.408 1.755 195 HA PHE 25 HA PHE 25 7.825 2.533 1.205 196 HB2 PHE 25 HB2 PHE 25 7.576 -0.199 -0.032 197 HB3 PHE 25 HB3 PHE 25 6.139 0.706 0.406 198 HD1 PHE 25 HD1 PHE 25 8.898 0.429 -1.957 199 HD2 PHE 25 HD2 PHE 25 5.598 2.795 -0.704 200 HE1 PHE 25 HE1 PHE 25 8.976 1.663 -4.086 201 HE2 PHE 25 HE2 PHE 25 5.658 4.037 -2.819 202 HZ PHE 25 HZ PHE 25 7.357 3.470 -4.522 203 H ALA 26 H ALA 26 5.856 2.254 2.436 204 HA ALA 26 HA ALA 26 6.250 0.464 4.742 205 HB1 ALA 26 HB1 ALA 26 4.774 3.098 4.663 206 HB2 ALA 26 HB2 ALA 26 6.395 2.852 5.313 207 HB3 ALA 26 HB3 ALA 26 5.012 2.078 6.082 208 H ALA 27 H ALA 27 4.614 -0.850 5.366 209 HA ALA 27 HA ALA 27 2.491 -1.371 3.533 210 HB1 ALA 27 HB1 ALA 27 1.801 -3.083 5.136 211 HB2 ALA 27 HB2 ALA 27 2.936 -2.439 6.323 212 HB3 ALA 27 HB3 ALA 27 3.536 -3.163 4.829 213 H PHE 28 H PHE 28 1.260 0.441 3.386 214 HA PHE 28 HA PHE 28 0.204 1.751 5.739 215 HB2 PHE 28 HB2 PHE 28 0.959 3.008 3.752 216 HB3 PHE 28 HB3 PHE 28 -0.277 2.228 2.782 217 HD1 PHE 28 HD1 PHE 28 0.538 4.988 4.865 218 HD2 PHE 28 HD2 PHE 28 -2.721 2.673 3.409 219 HE1 PHE 28 HE1 PHE 28 -0.999 6.825 5.391 220 HE2 PHE 28 HE2 PHE 28 -4.264 4.511 3.933 221 HZ PHE 28 HZ PHE 28 -3.407 6.590 4.919 222 H GLY 29 H GLY 29 -1.052 0.086 6.641 223 HA2 GLY 29 HA2 GLY 29 -2.964 -1.094 7.043 224 HA3 GLY 29 HA3 GLY 29 -3.739 0.301 6.313 225 H THR 30 H THR 30 -4.691 0.114 4.402 226 HA THR 30 HA THR 30 -4.361 -2.363 2.882 227 HB THR 30 HB THR 30 -6.883 -2.426 2.642 228 HG1 THR 30 HG1 THR 30 -7.809 -0.724 3.533 229 HG21 THR 30 HG21 THR 30 -5.654 -2.936 5.351 230 HG22 THR 30 HG22 THR 30 -5.638 -4.038 3.973 231 HG23 THR 30 HG23 THR 30 -7.165 -3.642 4.768 232 H CYS 31 H CYS 31 -5.141 -2.267 0.787 233 HA CYS 31 HA CYS 31 -5.518 0.417 -0.356 234 HB2 CYS 31 HB2 CYS 31 -3.652 -1.620 -1.032 235 HB3 CYS 31 HB3 CYS 31 -4.808 -1.492 -2.349 236 H SER 32 H SER 32 -6.385 -0.568 -2.889 237 HA SER 32 HA SER 32 -8.991 -0.858 -2.946 238 HB2 SER 32 HB2 SER 32 -7.296 -2.858 -4.407 239 HB3 SER 32 HB3 SER 32 -8.785 -2.095 -4.951 240 HG SER 32 HG SER 32 -6.634 -1.267 -5.754 241 H TRP 33 H TRP 33 -10.212 -1.797 -1.453 242 HA TRP 33 HA TRP 33 -11.204 -3.295 -0.101 243 HB2 TRP 33 HB2 TRP 33 -10.181 -5.337 -2.075 244 HB3 TRP 33 HB3 TRP 33 -11.564 -5.505 -0.992 245 HD1 TRP 33 HD1 TRP 33 -11.009 -4.926 -4.465 246 HE1 TRP 33 HE1 TRP 33 -12.900 -3.563 -5.567 247 HE3 TRP 33 HE3 TRP 33 -13.212 -3.034 -0.254 248 HZ2 TRP 33 HZ2 TRP 33 -15.026 -1.892 -4.749 249 HZ3 TRP 33 HZ3 TRP 33 -15.149 -1.543 -0.503 250 HH2 TRP 33 HH2 TRP 33 -16.037 -0.991 -2.714 251 H ARG 34 H ARG 34 -10.852 -5.359 1.250 252 HA ARG 34 HA ARG 34 -8.373 -4.957 2.652 253 HB2 ARG 34 HB2 ARG 34 -9.233 -6.565 4.262 254 HB3 ARG 34 HB3 ARG 34 -10.470 -5.385 3.859 255 HG2 ARG 34 HG2 ARG 34 -11.529 -7.001 2.361 256 HG3 ARG 34 HG3 ARG 34 -10.287 -8.187 2.766 257 HD2 ARG 34 HD2 ARG 34 -12.237 -6.933 4.696 258 HD3 ARG 34 HD3 ARG 34 -12.338 -8.566 4.041 259 HE ARG 34 HE ARG 34 -9.876 -8.463 5.214 260 HH11 ARG 34 HH11 ARG 34 -13.143 -7.846 6.305 261 HH12 ARG 34 HH12 ARG 34 -12.824 -8.322 7.941 262 HH21 ARG 34 HH21 ARG 34 -9.449 -9.089 7.364 263 HH22 ARG 34 HH22 ARG 34 -10.714 -9.016 8.549 264 H GLN 35 H GLN 35 -8.281 -6.045 -0.065 265 HA GLN 35 HA GLN 35 -7.200 -8.742 0.353 266 HB2 GLN 35 HB2 GLN 35 -7.810 -7.356 -2.258 267 HB3 GLN 35 HB3 GLN 35 -7.514 -9.071 -1.999 268 HG2 GLN 35 HG2 GLN 35 -9.841 -7.615 -0.793 269 HG3 GLN 35 HG3 GLN 35 -9.902 -8.390 -2.368 270 HE21 GLN 35 HE21 GLN 35 -9.625 -8.883 1.051 271 HE22 GLN 35 HE22 GLN 35 -9.999 -10.565 1.047 272 H LYS 36 H LYS 36 -6.475 -5.498 -0.652 273 HA LYS 36 HA LYS 36 -3.713 -6.293 -1.293 274 HB2 LYS 36 HB2 LYS 36 -4.959 -3.735 -2.254 275 HB3 LYS 36 HB3 LYS 36 -3.597 -4.604 -2.911 276 HG2 LYS 36 HG2 LYS 36 -6.319 -5.821 -2.967 277 HG3 LYS 36 HG3 LYS 36 -5.844 -4.621 -4.170 278 HD2 LYS 36 HD2 LYS 36 -4.165 -7.035 -3.572 279 HD3 LYS 36 HD3 LYS 36 -5.470 -7.069 -4.761 280 HE2 LYS 36 HE2 LYS 36 -3.382 -4.934 -4.862 281 HE3 LYS 36 HE3 LYS 36 -3.058 -6.524 -5.530 282 HZ1 LYS 36 HZ1 LYS 36 -3.940 -4.976 -7.162 283 HZ2 LYS 36 HZ2 LYS 36 -5.313 -4.823 -6.309 284 HZ3 LYS 36 HZ3 LYS 36 -4.928 -6.254 -6.973 285 H THR 37 H THR 37 -2.056 -5.133 -0.388 286 HA THR 37 HA THR 37 -2.770 -3.274 1.771 287 HB THR 37 HB THR 37 -0.119 -4.625 1.176 288 HG1 THR 37 HG1 THR 37 -1.093 -6.280 2.040 289 HG21 THR 37 HG21 THR 37 0.114 -2.527 2.448 290 HG22 THR 37 HG22 THR 37 0.525 -3.936 3.427 291 HG23 THR 37 HG23 THR 37 -1.032 -3.134 3.643 292 H CYS 38 H CYS 38 -1.850 -1.197 1.832 293 HA CYS 38 HA CYS 38 -0.988 -0.156 -0.735 294 HB2 CYS 38 HB2 CYS 38 -2.557 1.236 0.363 295 HB3 CYS 38 HB3 CYS 38 -1.705 1.118 1.900 296 H CYS 39 H CYS 39 1.021 0.615 -1.187 297 HA CYS 39 HA CYS 39 3.031 0.389 0.954 298 HB2 CYS 39 HB2 CYS 39 3.388 -0.157 -2.000 299 HB3 CYS 39 HB3 CYS 39 4.680 -0.184 -0.798 300 H VAL 40 H VAL 40 3.487 2.365 1.587 301 HA VAL 40 HA VAL 40 4.231 4.335 -0.452 302 HB VAL 40 HB VAL 40 3.256 6.128 1.097 303 HG11 VAL 40 HG11 VAL 40 2.300 5.500 -1.083 304 HG12 VAL 40 HG12 VAL 40 1.062 5.971 0.084 305 HG13 VAL 40 HG13 VAL 40 1.327 4.264 -0.279 306 HG21 VAL 40 HG21 VAL 40 1.412 5.479 2.509 307 HG22 VAL 40 HG22 VAL 40 2.873 4.631 3.021 308 HG23 VAL 40 HG23 VAL 40 1.645 3.785 2.075 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 -14.102 3.273 -7.738 2 H2 LEU 1 H2 LEU 1 -12.970 4.336 -8.211 3 H3 LEU 1 H3 LEU 1 -13.554 4.395 -6.695 4 HA LEU 1 HA LEU 1 -12.056 2.145 -7.792 5 HB2 LEU 1 HB2 LEU 1 -11.167 4.398 -5.991 6 HB3 LEU 1 HB3 LEU 1 -10.247 2.928 -6.239 7 HG LEU 1 HG LEU 1 -10.944 4.935 -8.384 8 HD11 LEU 1 HD11 LEU 1 -9.324 5.819 -6.803 9 HD12 LEU 1 HD12 LEU 1 -8.556 5.462 -8.350 10 HD13 LEU 1 HD13 LEU 1 -8.335 4.369 -6.985 11 HD21 LEU 1 HD21 LEU 1 -10.771 2.697 -9.296 12 HD22 LEU 1 HD22 LEU 1 -9.234 2.452 -8.466 13 HD23 LEU 1 HD23 LEU 1 -9.358 3.647 -9.757 14 HA PRO 2 HA PRO 2 -13.202 -0.790 -4.737 15 HB2 PRO 2 HB2 PRO 2 -10.525 -0.080 -3.604 16 HB3 PRO 2 HB3 PRO 2 -11.272 -1.666 -3.773 17 HG2 PRO 2 HG2 PRO 2 -9.473 -0.650 -5.543 18 HG3 PRO 2 HG3 PRO 2 -10.727 -1.822 -5.993 19 HD2 PRO 2 HD2 PRO 2 -10.465 0.927 -6.825 20 HD3 PRO 2 HD3 PRO 2 -11.697 -0.253 -7.312 21 H ARG 3 H ARG 3 -11.058 1.100 -2.664 22 HA ARG 3 HA ARG 3 -13.161 2.476 -1.338 23 HB2 ARG 3 HB2 ARG 3 -12.951 1.323 0.854 24 HB3 ARG 3 HB3 ARG 3 -13.675 0.342 -0.399 25 HG2 ARG 3 HG2 ARG 3 -11.718 -0.973 -0.627 26 HG3 ARG 3 HG3 ARG 3 -10.786 0.132 0.386 27 HD2 ARG 3 HD2 ARG 3 -13.192 -1.390 1.360 28 HD3 ARG 3 HD3 ARG 3 -11.535 -1.971 1.527 29 HE ARG 3 HE ARG 3 -11.206 0.303 2.713 30 HH11 ARG 3 HH11 ARG 3 -14.140 -1.617 2.860 31 HH12 ARG 3 HH12 ARG 3 -14.533 -1.120 4.474 32 HH21 ARG 3 HH21 ARG 3 -11.739 0.967 4.823 33 HH22 ARG 3 HH22 ARG 3 -13.175 0.360 5.584 34 H ASP 4 H ASP 4 -9.871 1.192 -0.866 35 HA ASP 4 HA ASP 4 -9.181 3.714 0.469 36 HB2 ASP 4 HB2 ASP 4 -8.195 0.903 0.815 37 HB3 ASP 4 HB3 ASP 4 -7.198 2.262 1.304 38 H THR 5 H THR 5 -8.853 2.184 -2.434 39 HA THR 5 HA THR 5 -6.234 2.521 -3.235 40 HB THR 5 HB THR 5 -8.542 3.305 -4.996 41 HG1 THR 5 HG1 THR 5 -7.805 0.610 -4.835 42 HG21 THR 5 HG21 THR 5 -5.970 1.804 -5.513 43 HG22 THR 5 HG22 THR 5 -6.280 3.494 -5.920 44 HG23 THR 5 HG23 THR 5 -7.188 2.208 -6.722 45 H SER 6 H SER 6 -8.870 4.901 -3.491 46 HA SER 6 HA SER 6 -7.319 7.015 -4.483 47 HB2 SER 6 HB2 SER 6 -9.806 7.295 -2.782 48 HB3 SER 6 HB3 SER 6 -9.223 8.398 -4.028 49 HG SER 6 HG SER 6 -10.277 7.262 -5.428 50 H ARG 7 H ARG 7 -7.945 5.881 -1.252 51 HA ARG 7 HA ARG 7 -6.942 8.086 0.188 52 HB2 ARG 7 HB2 ARG 7 -8.270 6.401 1.285 53 HB3 ARG 7 HB3 ARG 7 -7.124 5.144 0.849 54 HG2 ARG 7 HG2 ARG 7 -5.452 6.193 2.313 55 HG3 ARG 7 HG3 ARG 7 -6.653 7.401 2.784 56 HD2 ARG 7 HD2 ARG 7 -8.102 5.625 3.632 57 HD3 ARG 7 HD3 ARG 7 -6.915 4.418 3.151 58 HE ARG 7 HE ARG 7 -5.921 6.427 4.968 59 HH11 ARG 7 HH11 ARG 7 -7.446 3.290 4.633 60 HH12 ARG 7 HH12 ARG 7 -6.972 2.758 6.221 61 HH21 ARG 7 HH21 ARG 7 -5.302 5.732 7.051 62 HH22 ARG 7 HH22 ARG 7 -5.749 4.146 7.598 63 H CYS 8 H CYS 8 -5.427 5.053 -0.870 64 HA CYS 8 HA CYS 8 -2.876 5.595 0.181 65 HB2 CYS 8 HB2 CYS 8 -3.518 3.352 -0.401 66 HB3 CYS 8 HB3 CYS 8 -3.750 3.806 -2.088 67 H VAL 9 H VAL 9 -4.271 6.220 -3.018 68 HA VAL 9 HA VAL 9 -1.765 7.227 -4.031 69 HB VAL 9 HB VAL 9 -3.386 6.094 -5.519 70 HG11 VAL 9 HG11 VAL 9 -5.461 6.791 -4.595 71 HG12 VAL 9 HG12 VAL 9 -5.396 7.293 -6.284 72 HG13 VAL 9 HG13 VAL 9 -5.135 8.476 -5.001 73 HG21 VAL 9 HG21 VAL 9 -3.307 7.691 -7.387 74 HG22 VAL 9 HG22 VAL 9 -1.776 7.596 -6.518 75 HG23 VAL 9 HG23 VAL 9 -2.855 8.965 -6.253 76 H GLY 10 H GLY 10 -4.224 8.480 -2.104 77 HA2 GLY 10 HA2 GLY 10 -3.889 11.248 -2.685 78 HA3 GLY 10 HA3 GLY 10 -4.449 10.574 -1.155 79 H TYR 11 H TYR 11 -2.002 8.858 -1.130 80 HA TYR 11 HA TYR 11 -0.100 10.815 -0.101 81 HB2 TYR 11 HB2 TYR 11 -0.194 7.790 0.082 82 HB3 TYR 11 HB3 TYR 11 1.080 8.783 0.780 83 HD1 TYR 11 HD1 TYR 11 -2.543 8.037 0.954 84 HD2 TYR 11 HD2 TYR 11 0.797 9.844 2.862 85 HE1 TYR 11 HE1 TYR 11 -3.870 8.312 3.001 86 HE2 TYR 11 HE2 TYR 11 -0.520 10.121 4.918 87 HH TYR 11 HH TYR 11 -2.846 10.261 5.612 88 H HIS 12 H HIS 12 1.633 8.144 -0.934 89 HA HIS 12 HA HIS 12 2.168 8.788 -3.693 90 HB2 HIS 12 HB2 HIS 12 4.325 9.302 -1.619 91 HB3 HIS 12 HB3 HIS 12 4.542 9.367 -3.358 92 HD1 HIS 12 HD1 HIS 12 3.829 11.520 -4.554 93 HD2 HIS 12 HD2 HIS 12 2.991 11.497 -0.485 94 HE1 HIS 12 HE1 HIS 12 3.221 13.889 -3.978 95 HE2 HIS 12 HE2 HIS 12 2.478 13.785 -1.573 96 H GLY 13 H GLY 13 2.124 6.683 -4.351 97 HA2 GLY 13 HA2 GLY 13 4.228 4.950 -4.010 98 HA3 GLY 13 HA3 GLY 13 3.119 4.559 -2.705 99 H TYR 14 H TYR 14 2.178 2.692 -3.264 100 HA TYR 14 HA TYR 14 0.430 2.629 -5.514 101 HB2 TYR 14 HB2 TYR 14 1.469 0.802 -6.755 102 HB3 TYR 14 HB3 TYR 14 2.500 2.218 -6.734 103 HD1 TYR 14 HD1 TYR 14 2.315 -1.284 -6.176 104 HD2 TYR 14 HD2 TYR 14 4.423 2.216 -4.984 105 HE1 TYR 14 HE1 TYR 14 4.182 -2.683 -5.410 106 HE2 TYR 14 HE2 TYR 14 6.296 0.827 -4.209 107 HH TYR 14 HH TYR 14 6.558 -2.498 -4.960 108 H CYS 15 H CYS 15 -0.344 0.260 -5.862 109 HA CYS 15 HA CYS 15 -0.933 -0.780 -3.166 110 HB2 CYS 15 HB2 CYS 15 -2.728 -0.554 -5.587 111 HB3 CYS 15 HB3 CYS 15 -3.170 -1.379 -4.097 112 H ILE 16 H ILE 16 -0.378 -2.835 -2.823 113 HA ILE 16 HA ILE 16 0.049 -4.564 -5.178 114 HB ILE 16 HB ILE 16 1.703 -5.788 -3.972 115 HG12 ILE 16 HG12 ILE 16 1.049 -4.070 -1.574 116 HG13 ILE 16 HG13 ILE 16 0.569 -5.748 -1.775 117 HG21 ILE 16 HG21 ILE 16 2.510 -3.749 -4.984 118 HG22 ILE 16 HG22 ILE 16 3.394 -4.085 -3.494 119 HG23 ILE 16 HG23 ILE 16 2.136 -2.847 -3.515 120 HD11 ILE 16 HD11 ILE 16 2.934 -6.397 -1.815 121 HD12 ILE 16 HD12 ILE 16 2.469 -5.599 -0.313 122 HD13 ILE 16 HD13 ILE 16 3.382 -4.714 -1.537 123 H ARG 17 H ARG 17 -0.733 -6.670 -5.092 124 HA ARG 17 HA ARG 17 -2.748 -7.171 -3.065 125 HB2 ARG 17 HB2 ARG 17 -2.895 -9.400 -4.522 126 HB3 ARG 17 HB3 ARG 17 -3.702 -7.918 -4.986 127 HG2 ARG 17 HG2 ARG 17 -2.705 -8.841 -6.926 128 HG3 ARG 17 HG3 ARG 17 -1.771 -7.418 -6.492 129 HD2 ARG 17 HD2 ARG 17 -0.867 -10.052 -5.457 130 HD3 ARG 17 HD3 ARG 17 -0.642 -9.724 -7.170 131 HE ARG 17 HE ARG 17 0.450 -7.537 -6.095 132 HH11 ARG 17 HH11 ARG 17 0.815 -10.919 -5.258 133 HH12 ARG 17 HH12 ARG 17 2.450 -10.738 -4.711 134 HH21 ARG 17 HH21 ARG 17 2.600 -7.297 -5.365 135 HH22 ARG 17 HH22 ARG 17 3.467 -8.675 -4.767 136 H SER 18 H SER 18 -1.359 -7.313 -1.348 137 HA SER 18 HA SER 18 -0.536 -9.819 -0.459 138 HB2 SER 18 HB2 SER 18 1.667 -8.079 -1.603 139 HB3 SER 18 HB3 SER 18 1.982 -9.264 -0.339 140 HG SER 18 HG SER 18 0.600 -10.095 -2.628 141 H LYS 19 H LYS 19 0.975 -9.400 1.591 142 HA LYS 19 HA LYS 19 0.387 -6.725 2.659 143 HB2 LYS 19 HB2 LYS 19 0.242 -9.340 4.166 144 HB3 LYS 19 HB3 LYS 19 0.115 -7.749 4.907 145 HG2 LYS 19 HG2 LYS 19 -1.823 -7.401 3.219 146 HG3 LYS 19 HG3 LYS 19 -1.813 -9.162 3.117 147 HD2 LYS 19 HD2 LYS 19 -2.149 -9.317 5.521 148 HD3 LYS 19 HD3 LYS 19 -2.106 -7.558 5.654 149 HE2 LYS 19 HE2 LYS 19 -4.156 -9.218 4.195 150 HE3 LYS 19 HE3 LYS 19 -4.397 -8.297 5.677 151 HZ1 LYS 19 HZ1 LYS 19 -3.741 -7.129 3.071 152 HZ2 LYS 19 HZ2 LYS 19 -4.029 -6.302 4.440 153 HZ3 LYS 19 HZ3 LYS 19 -5.228 -7.149 3.737 154 H VAL 20 H VAL 20 2.699 -7.817 1.308 155 HA VAL 20 HA VAL 20 4.693 -7.221 3.383 156 HB VAL 20 HB VAL 20 5.063 -9.210 1.128 157 HG11 VAL 20 HG11 VAL 20 7.112 -8.016 1.661 158 HG12 VAL 20 HG12 VAL 20 7.215 -9.691 2.204 159 HG13 VAL 20 HG13 VAL 20 6.911 -8.403 3.369 160 HG21 VAL 20 HG21 VAL 20 5.190 -10.906 2.891 161 HG22 VAL 20 HG22 VAL 20 3.617 -10.110 2.871 162 HG23 VAL 20 HG23 VAL 20 4.808 -9.679 4.098 163 H CYS 21 H CYS 21 5.183 -5.172 2.844 164 HA CYS 21 HA CYS 21 5.353 -4.381 0.062 165 HB2 CYS 21 HB2 CYS 21 5.530 -2.857 2.657 166 HB3 CYS 21 HB3 CYS 21 5.822 -2.104 1.090 167 HA PRO 22 HA PRO 22 9.757 -4.998 -0.039 168 HB2 PRO 22 HB2 PRO 22 10.138 -3.844 -2.471 169 HB3 PRO 22 HB3 PRO 22 9.568 -5.503 -2.259 170 HG2 PRO 22 HG2 PRO 22 8.043 -3.043 -2.944 171 HG3 PRO 22 HG3 PRO 22 7.798 -4.710 -3.483 172 HD2 PRO 22 HD2 PRO 22 6.284 -3.481 -1.562 173 HD3 PRO 22 HD3 PRO 22 6.513 -5.235 -1.674 174 H LYS 23 H LYS 23 11.568 -3.723 0.272 175 HA LYS 23 HA LYS 23 11.063 -1.049 1.120 176 HB2 LYS 23 HB2 LYS 23 13.466 -1.045 1.670 177 HB3 LYS 23 HB3 LYS 23 12.615 -2.437 2.331 178 HG2 LYS 23 HG2 LYS 23 13.408 -3.731 0.327 179 HG3 LYS 23 HG3 LYS 23 14.451 -2.353 -0.041 180 HD2 LYS 23 HD2 LYS 23 15.505 -2.556 2.129 181 HD3 LYS 23 HD3 LYS 23 14.427 -3.896 2.530 182 HE2 LYS 23 HE2 LYS 23 16.376 -3.901 0.230 183 HE3 LYS 23 HE3 LYS 23 16.692 -4.628 1.805 184 HZ1 LYS 23 HZ1 LYS 23 14.528 -5.404 -0.022 185 HZ2 LYS 23 HZ2 LYS 23 14.816 -6.075 1.431 186 HZ3 LYS 23 HZ3 LYS 23 15.898 -6.243 0.232 187 HA PRO 24 HA PRO 24 11.950 0.505 1.557 188 HB2 PRO 24 HB2 PRO 24 12.205 3.146 1.263 189 HB3 PRO 24 HB3 PRO 24 13.618 2.087 1.275 190 HG2 PRO 24 HG2 PRO 24 12.290 3.452 -1.005 191 HG3 PRO 24 HG3 PRO 24 14.001 3.062 -0.770 192 HD2 PRO 24 HD2 PRO 24 12.118 1.606 -2.302 193 HD3 PRO 24 HD3 PRO 24 13.760 1.102 -1.868 194 H PHE 25 H PHE 25 9.809 0.119 1.869 195 HA PHE 25 HA PHE 25 7.975 2.303 1.435 196 HB2 PHE 25 HB2 PHE 25 7.607 -0.373 0.104 197 HB3 PHE 25 HB3 PHE 25 6.213 0.576 0.596 198 HD1 PHE 25 HD1 PHE 25 8.803 0.151 -1.883 199 HD2 PHE 25 HD2 PHE 25 5.860 2.829 -0.380 200 HE1 PHE 25 HE1 PHE 25 8.901 1.435 -3.981 201 HE2 PHE 25 HE2 PHE 25 5.942 4.116 -2.467 202 HZ PHE 25 HZ PHE 25 7.472 3.422 -4.277 203 H ALA 26 H ALA 26 5.994 2.000 2.681 204 HA ALA 26 HA ALA 26 6.410 0.127 4.922 205 HB1 ALA 26 HB1 ALA 26 5.244 1.716 6.336 206 HB2 ALA 26 HB2 ALA 26 4.964 2.773 4.953 207 HB3 ALA 26 HB3 ALA 26 6.605 2.503 5.539 208 H ALA 27 H ALA 27 4.673 -1.066 5.664 209 HA ALA 27 HA ALA 27 2.554 -1.577 3.818 210 HB1 ALA 27 HB1 ALA 27 3.468 -3.363 5.205 211 HB2 ALA 27 HB2 ALA 27 1.743 -3.158 5.515 212 HB3 ALA 27 HB3 ALA 27 2.928 -2.526 6.660 213 H PHE 28 H PHE 28 1.430 0.313 3.560 214 HA PHE 28 HA PHE 28 0.394 1.751 5.850 215 HB2 PHE 28 HB2 PHE 28 1.289 2.944 3.867 216 HB3 PHE 28 HB3 PHE 28 0.026 2.231 2.877 217 HD1 PHE 28 HD1 PHE 28 -2.398 2.819 3.446 218 HD2 PHE 28 HD2 PHE 28 0.952 4.949 4.976 219 HE1 PHE 28 HE1 PHE 28 -3.851 4.732 3.945 220 HE2 PHE 28 HE2 PHE 28 -0.501 6.862 5.492 221 HZ PHE 28 HZ PHE 28 -2.905 6.754 4.968 222 H GLY 29 H GLY 29 -1.038 0.239 6.747 223 HA2 GLY 29 HA2 GLY 29 -3.070 -0.764 7.083 224 HA3 GLY 29 HA3 GLY 29 -3.684 0.641 6.228 225 H THR 30 H THR 30 -4.849 0.241 4.508 226 HA THR 30 HA THR 30 -4.310 -2.145 2.913 227 HB THR 30 HB THR 30 -6.810 -2.488 2.747 228 HG1 THR 30 HG1 THR 30 -7.233 -0.351 3.775 229 HG21 THR 30 HG21 THR 30 -6.921 -3.739 4.863 230 HG22 THR 30 HG22 THR 30 -5.485 -2.881 5.432 231 HG23 THR 30 HG23 THR 30 -5.371 -3.968 4.046 232 H CYS 31 H CYS 31 -4.931 -2.056 0.843 233 HA CYS 31 HA CYS 31 -5.718 0.535 -0.285 234 HB2 CYS 31 HB2 CYS 31 -4.006 -1.690 -1.227 235 HB3 CYS 31 HB3 CYS 31 -5.030 -0.944 -2.442 236 H SER 32 H SER 32 -6.665 -0.547 -2.746 237 HA SER 32 HA SER 32 -9.215 -1.090 -2.710 238 HB2 SER 32 HB2 SER 32 -7.432 -3.034 -4.123 239 HB3 SER 32 HB3 SER 32 -8.939 -2.320 -4.686 240 HG SER 32 HG SER 32 -7.007 -1.393 -5.632 241 H TRP 33 H TRP 33 -10.297 -2.069 -1.135 242 HA TRP 33 HA TRP 33 -11.081 -3.566 0.348 243 HB2 TRP 33 HB2 TRP 33 -9.985 -5.672 -1.519 244 HB3 TRP 33 HB3 TRP 33 -11.351 -5.815 -0.415 245 HD1 TRP 33 HD1 TRP 33 -10.840 -5.502 -3.930 246 HE1 TRP 33 HE1 TRP 33 -12.814 -4.376 -5.130 247 HE3 TRP 33 HE3 TRP 33 -13.156 -3.392 0.109 248 HZ2 TRP 33 HZ2 TRP 33 -15.042 -2.782 -4.460 249 HZ3 TRP 33 HZ3 TRP 33 -15.185 -2.057 -0.264 250 HH2 TRP 33 HH2 TRP 33 -16.109 -1.769 -2.508 251 H ARG 34 H ARG 34 -10.462 -5.534 1.769 252 HA ARG 34 HA ARG 34 -8.020 -4.794 3.050 253 HB2 ARG 34 HB2 ARG 34 -8.574 -6.499 4.701 254 HB3 ARG 34 HB3 ARG 34 -9.971 -5.498 4.347 255 HG2 ARG 34 HG2 ARG 34 -10.853 -7.253 2.884 256 HG3 ARG 34 HG3 ARG 34 -9.453 -8.259 3.260 257 HD2 ARG 34 HD2 ARG 34 -11.497 -7.261 5.243 258 HD3 ARG 34 HD3 ARG 34 -11.411 -8.892 4.585 259 HE ARG 34 HE ARG 34 -9.032 -7.952 5.951 260 HH11 ARG 34 HH11 ARG 34 -12.007 -9.784 6.152 261 HH12 ARG 34 HH12 ARG 34 -11.532 -10.641 7.582 262 HH21 ARG 34 HH21 ARG 34 -8.383 -9.110 7.806 263 HH22 ARG 34 HH22 ARG 34 -9.465 -10.258 8.523 264 H GLN 35 H GLN 35 -8.093 -6.154 0.331 265 HA GLN 35 HA GLN 35 -6.562 -8.588 0.808 266 HB2 GLN 35 HB2 GLN 35 -7.475 -7.363 -1.798 267 HB3 GLN 35 HB3 GLN 35 -6.878 -8.998 -1.553 268 HG2 GLN 35 HG2 GLN 35 -9.373 -7.935 -0.268 269 HG3 GLN 35 HG3 GLN 35 -9.352 -8.783 -1.807 270 HE21 GLN 35 HE21 GLN 35 -8.968 -9.054 1.612 271 HE22 GLN 35 HE22 GLN 35 -8.988 -10.776 1.689 272 H LYS 36 H LYS 36 -6.319 -5.464 -0.848 273 HA LYS 36 HA LYS 36 -3.491 -5.962 -1.370 274 HB2 LYS 36 HB2 LYS 36 -5.070 -3.535 -2.209 275 HB3 LYS 36 HB3 LYS 36 -3.546 -4.102 -2.858 276 HG2 LYS 36 HG2 LYS 36 -4.757 -6.130 -3.685 277 HG3 LYS 36 HG3 LYS 36 -6.264 -5.336 -3.221 278 HD2 LYS 36 HD2 LYS 36 -5.925 -4.943 -5.549 279 HD3 LYS 36 HD3 LYS 36 -5.610 -3.428 -4.703 280 HE2 LYS 36 HE2 LYS 36 -3.245 -3.736 -4.894 281 HE3 LYS 36 HE3 LYS 36 -3.459 -5.367 -5.527 282 HZ1 LYS 36 HZ1 LYS 36 -4.293 -2.898 -6.881 283 HZ2 LYS 36 HZ2 LYS 36 -4.490 -4.401 -7.463 284 HZ3 LYS 36 HZ3 LYS 36 -2.995 -3.799 -7.271 285 H THR 37 H THR 37 -1.891 -4.841 -0.412 286 HA THR 37 HA THR 37 -2.644 -3.010 1.757 287 HB THR 37 HB THR 37 0.020 -4.364 1.246 288 HG1 THR 37 HG1 THR 37 -1.241 -5.985 1.912 289 HG21 THR 37 HG21 THR 37 0.231 -2.287 2.531 290 HG22 THR 37 HG22 THR 37 0.548 -3.694 3.546 291 HG23 THR 37 HG23 THR 37 -0.999 -2.855 3.661 292 H CYS 38 H CYS 38 -1.754 -0.936 1.850 293 HA CYS 38 HA CYS 38 -0.864 0.141 -0.681 294 HB2 CYS 38 HB2 CYS 38 -2.463 1.452 0.539 295 HB3 CYS 38 HB3 CYS 38 -1.470 1.412 1.991 296 H CYS 39 H CYS 39 1.163 0.722 -1.186 297 HA CYS 39 HA CYS 39 3.191 0.509 0.937 298 HB2 CYS 39 HB2 CYS 39 3.529 -0.021 -2.024 299 HB3 CYS 39 HB3 CYS 39 4.797 -0.146 -0.803 300 H VAL 40 H VAL 40 3.735 2.477 1.548 301 HA VAL 40 HA VAL 40 4.389 4.466 -0.499 302 HB VAL 40 HB VAL 40 3.388 6.236 1.031 303 HG11 VAL 40 HG11 VAL 40 1.179 6.010 0.087 304 HG12 VAL 40 HG12 VAL 40 1.446 4.291 -0.202 305 HG13 VAL 40 HG13 VAL 40 2.375 5.491 -1.103 306 HG21 VAL 40 HG21 VAL 40 1.938 3.852 2.140 307 HG22 VAL 40 HG22 VAL 40 1.609 5.545 2.519 308 HG23 VAL 40 HG23 VAL 40 3.139 4.811 3.006 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 -13.765 4.561 -7.641 2 H2 LEU 1 H2 LEU 1 -14.451 4.397 -6.179 3 H3 LEU 1 H3 LEU 1 -14.690 3.264 -7.316 4 HA LEU 1 HA LEU 1 -12.400 2.640 -7.298 5 HB2 LEU 1 HB2 LEU 1 -10.880 3.581 -5.690 6 HB3 LEU 1 HB3 LEU 1 -11.567 4.883 -6.636 7 HG LEU 1 HG LEU 1 -12.872 4.245 -4.039 8 HD11 LEU 1 HD11 LEU 1 -11.254 5.649 -2.841 9 HD12 LEU 1 HD12 LEU 1 -10.242 5.697 -4.286 10 HD13 LEU 1 HD13 LEU 1 -10.518 4.167 -3.453 11 HD21 LEU 1 HD21 LEU 1 -13.160 6.668 -3.996 12 HD22 LEU 1 HD22 LEU 1 -13.757 5.991 -5.509 13 HD23 LEU 1 HD23 LEU 1 -12.201 6.817 -5.466 14 HA PRO 2 HA PRO 2 -13.289 -0.672 -4.469 15 HB2 PRO 2 HB2 PRO 2 -10.594 0.073 -3.388 16 HB3 PRO 2 HB3 PRO 2 -11.265 -1.529 -3.693 17 HG2 PRO 2 HG2 PRO 2 -9.595 -0.457 -5.430 18 HG3 PRO 2 HG3 PRO 2 -11.041 -1.316 -6.010 19 HD2 PRO 2 HD2 PRO 2 -10.469 1.597 -5.947 20 HD3 PRO 2 HD3 PRO 2 -11.484 0.669 -7.067 21 H ARG 3 H ARG 3 -11.138 1.235 -2.399 22 HA ARG 3 HA ARG 3 -13.257 2.311 -0.813 23 HB2 ARG 3 HB2 ARG 3 -12.672 1.080 1.274 24 HB3 ARG 3 HB3 ARG 3 -13.421 0.085 0.043 25 HG2 ARG 3 HG2 ARG 3 -11.394 -0.995 -0.470 26 HG3 ARG 3 HG3 ARG 3 -10.451 0.190 0.432 27 HD2 ARG 3 HD2 ARG 3 -12.500 -1.576 1.733 28 HD3 ARG 3 HD3 ARG 3 -10.813 -2.055 1.548 29 HE ARG 3 HE ARG 3 -10.750 0.438 2.728 30 HH11 ARG 3 HH11 ARG 3 -12.101 -2.699 3.524 31 HH12 ARG 3 HH12 ARG 3 -11.938 -2.468 5.237 32 HH21 ARG 3 HH21 ARG 3 -10.515 0.724 4.966 33 HH22 ARG 3 HH22 ARG 3 -11.031 -0.523 6.058 34 H ASP 4 H ASP 4 -9.807 1.419 -0.808 35 HA ASP 4 HA ASP 4 -9.263 3.978 0.532 36 HB2 ASP 4 HB2 ASP 4 -8.297 1.222 1.164 37 HB3 ASP 4 HB3 ASP 4 -7.238 2.587 1.468 38 H THR 5 H THR 5 -8.775 2.248 -2.232 39 HA THR 5 HA THR 5 -6.149 2.304 -2.917 40 HB THR 5 HB THR 5 -8.208 3.276 -4.869 41 HG1 THR 5 HG1 THR 5 -8.031 0.538 -4.545 42 HG21 THR 5 HG21 THR 5 -6.972 1.882 -6.412 43 HG22 THR 5 HG22 THR 5 -5.988 1.238 -5.098 44 HG23 THR 5 HG23 THR 5 -5.839 2.934 -5.559 45 H SER 6 H SER 6 -8.365 5.010 -3.714 46 HA SER 6 HA SER 6 -6.300 6.664 -4.689 47 HB2 SER 6 HB2 SER 6 -9.052 7.442 -3.701 48 HB3 SER 6 HB3 SER 6 -7.986 8.459 -4.670 49 HG SER 6 HG SER 6 -8.079 6.352 -6.069 50 H ARG 7 H ARG 7 -7.523 6.102 -1.513 51 HA ARG 7 HA ARG 7 -6.609 8.436 -0.243 52 HB2 ARG 7 HB2 ARG 7 -8.157 7.042 0.908 53 HB3 ARG 7 HB3 ARG 7 -7.120 5.633 0.740 54 HG2 ARG 7 HG2 ARG 7 -5.588 6.464 2.350 55 HG3 ARG 7 HG3 ARG 7 -6.373 8.047 2.372 56 HD2 ARG 7 HD2 ARG 7 -7.682 5.460 3.210 57 HD3 ARG 7 HD3 ARG 7 -6.960 6.625 4.322 58 HE ARG 7 HE ARG 7 -8.647 8.231 3.215 59 HH11 ARG 7 HH11 ARG 7 -9.253 4.819 3.811 60 HH12 ARG 7 HH12 ARG 7 -10.959 5.059 4.050 61 HH21 ARG 7 HH21 ARG 7 -10.881 8.512 3.513 62 HH22 ARG 7 HH22 ARG 7 -11.884 7.144 3.876 63 H CYS 8 H CYS 8 -5.083 5.241 -0.664 64 HA CYS 8 HA CYS 8 -2.699 6.001 0.671 65 HB2 CYS 8 HB2 CYS 8 -3.171 3.719 -1.236 66 HB3 CYS 8 HB3 CYS 8 -1.896 3.854 -0.027 67 H VAL 9 H VAL 9 -3.598 5.723 -2.773 68 HA VAL 9 HA VAL 9 -0.953 6.294 -3.704 69 HB VAL 9 HB VAL 9 -3.493 6.732 -5.269 70 HG11 VAL 9 HG11 VAL 9 -2.090 6.190 -7.199 71 HG12 VAL 9 HG12 VAL 9 -0.700 6.007 -6.131 72 HG13 VAL 9 HG13 VAL 9 -1.469 7.583 -6.314 73 HG21 VAL 9 HG21 VAL 9 -3.574 4.517 -4.261 74 HG22 VAL 9 HG22 VAL 9 -1.974 4.155 -4.913 75 HG23 VAL 9 HG23 VAL 9 -3.335 4.412 -6.006 76 H GLY 10 H GLY 10 -3.598 8.177 -2.598 77 HA2 GLY 10 HA2 GLY 10 -2.971 10.691 -3.685 78 HA3 GLY 10 HA3 GLY 10 -3.773 10.423 -2.145 79 H TYR 11 H TYR 11 -1.473 8.849 -1.134 80 HA TYR 11 HA TYR 11 0.186 11.033 -0.262 81 HB2 TYR 11 HB2 TYR 11 0.291 8.061 0.297 82 HB3 TYR 11 HB3 TYR 11 1.428 9.215 0.984 83 HD1 TYR 11 HD1 TYR 11 -1.989 7.931 1.096 84 HD2 TYR 11 HD2 TYR 11 0.695 10.830 2.673 85 HE1 TYR 11 HE1 TYR 11 -3.544 8.351 2.949 86 HE2 TYR 11 HE2 TYR 11 -0.856 11.258 4.532 87 HH TYR 11 HH TYR 11 -3.524 9.226 5.211 88 H HIS 12 H HIS 12 1.988 8.165 -0.766 89 HA HIS 12 HA HIS 12 2.852 8.834 -3.458 90 HB2 HIS 12 HB2 HIS 12 4.881 8.809 -1.204 91 HB3 HIS 12 HB3 HIS 12 5.227 9.021 -2.912 92 HD1 HIS 12 HD1 HIS 12 4.629 11.362 -3.950 93 HD2 HIS 12 HD2 HIS 12 4.140 11.076 0.164 94 HE1 HIS 12 HE1 HIS 12 4.424 13.725 -3.130 95 HE2 HIS 12 HE2 HIS 12 4.357 13.529 -0.623 96 H GLY 13 H GLY 13 2.483 6.781 -4.259 97 HA2 GLY 13 HA2 GLY 13 4.267 4.772 -4.110 98 HA3 GLY 13 HA3 GLY 13 3.287 4.476 -2.683 99 H TYR 14 H TYR 14 2.273 2.611 -3.275 100 HA TYR 14 HA TYR 14 0.226 2.769 -5.264 101 HB2 TYR 14 HB2 TYR 14 1.030 1.080 -6.791 102 HB3 TYR 14 HB3 TYR 14 2.185 2.394 -6.716 103 HD1 TYR 14 HD1 TYR 14 1.828 -1.079 -6.766 104 HD2 TYR 14 HD2 TYR 14 4.154 1.981 -4.936 105 HE1 TYR 14 HE1 TYR 14 3.625 -2.701 -6.361 106 HE2 TYR 14 HE2 TYR 14 5.956 0.361 -4.517 107 HH TYR 14 HH TYR 14 6.135 -2.613 -6.009 108 H CYS 15 H CYS 15 -0.527 0.348 -5.724 109 HA CYS 15 HA CYS 15 -0.984 -0.791 -3.048 110 HB2 CYS 15 HB2 CYS 15 -2.717 -0.859 -5.526 111 HB3 CYS 15 HB3 CYS 15 -3.121 -1.612 -3.986 112 H ILE 16 H ILE 16 -0.619 -2.947 -2.688 113 HA ILE 16 HA ILE 16 0.156 -4.575 -5.015 114 HB ILE 16 HB ILE 16 2.086 -5.401 -4.017 115 HG12 ILE 16 HG12 ILE 16 1.293 -4.158 -1.377 116 HG13 ILE 16 HG13 ILE 16 1.044 -5.852 -1.788 117 HG21 ILE 16 HG21 ILE 16 3.435 -3.485 -3.358 118 HG22 ILE 16 HG22 ILE 16 1.968 -2.535 -3.123 119 HG23 ILE 16 HG23 ILE 16 2.401 -3.104 -4.735 120 HD11 ILE 16 HD11 ILE 16 3.691 -4.441 -1.556 121 HD12 ILE 16 HD12 ILE 16 3.471 -6.126 -2.026 122 HD13 ILE 16 HD13 ILE 16 3.006 -5.593 -0.410 123 H ARG 17 H ARG 17 -0.317 -6.774 -4.854 124 HA ARG 17 HA ARG 17 -2.064 -7.553 -2.665 125 HB2 ARG 17 HB2 ARG 17 -1.744 -9.816 -4.217 126 HB3 ARG 17 HB3 ARG 17 -3.072 -8.679 -4.315 127 HG2 ARG 17 HG2 ARG 17 -2.367 -8.987 -6.514 128 HG3 ARG 17 HG3 ARG 17 -1.689 -7.436 -6.044 129 HD2 ARG 17 HD2 ARG 17 -0.074 -9.941 -5.782 130 HD3 ARG 17 HD3 ARG 17 -0.234 -9.148 -7.343 131 HE ARG 17 HE ARG 17 1.253 -8.201 -5.034 132 HH11 ARG 17 HH11 ARG 17 -0.096 -7.411 -8.171 133 HH12 ARG 17 HH12 ARG 17 1.040 -6.135 -8.472 134 HH21 ARG 17 HH21 ARG 17 2.748 -6.534 -5.438 135 HH22 ARG 17 HH22 ARG 17 2.658 -5.635 -6.921 136 H SER 18 H SER 18 -0.617 -7.549 -1.005 137 HA SER 18 HA SER 18 0.618 -9.926 -0.281 138 HB2 SER 18 HB2 SER 18 2.320 -9.355 -1.994 139 HB3 SER 18 HB3 SER 18 2.587 -7.803 -1.205 140 HG SER 18 HG SER 18 4.135 -9.412 -0.618 141 H LYS 19 H LYS 19 1.338 -9.782 1.917 142 HA LYS 19 HA LYS 19 0.511 -7.315 3.227 143 HB2 LYS 19 HB2 LYS 19 1.392 -9.923 4.472 144 HB3 LYS 19 HB3 LYS 19 0.621 -8.578 5.299 145 HG2 LYS 19 HG2 LYS 19 -0.592 -10.413 3.252 146 HG3 LYS 19 HG3 LYS 19 -1.019 -10.257 4.951 147 HD2 LYS 19 HD2 LYS 19 -1.393 -8.149 2.826 148 HD3 LYS 19 HD3 LYS 19 -2.666 -9.152 3.520 149 HE2 LYS 19 HE2 LYS 19 -2.380 -8.132 5.671 150 HE3 LYS 19 HE3 LYS 19 -0.947 -7.263 5.120 151 HZ1 LYS 19 HZ1 LYS 19 -3.676 -6.849 4.129 152 HZ2 LYS 19 HZ2 LYS 19 -2.357 -6.059 3.592 153 HZ3 LYS 19 HZ3 LYS 19 -2.865 -5.849 5.123 154 H VAL 20 H VAL 20 3.257 -8.462 1.899 155 HA VAL 20 HA VAL 20 4.970 -7.037 3.827 156 HB VAL 20 HB VAL 20 5.803 -9.140 1.816 157 HG11 VAL 20 HG11 VAL 20 7.374 -7.796 4.013 158 HG12 VAL 20 HG12 VAL 20 7.558 -7.508 2.283 159 HG13 VAL 20 HG13 VAL 20 7.960 -9.086 2.960 160 HG21 VAL 20 HG21 VAL 20 5.528 -9.350 4.813 161 HG22 VAL 20 HG22 VAL 20 6.151 -10.602 3.737 162 HG23 VAL 20 HG23 VAL 20 4.465 -10.100 3.622 163 H CYS 21 H CYS 21 5.271 -5.027 3.105 164 HA CYS 21 HA CYS 21 5.174 -4.422 0.292 165 HB2 CYS 21 HB2 CYS 21 5.489 -2.775 2.781 166 HB3 CYS 21 HB3 CYS 21 5.761 -2.068 1.191 167 HA PRO 22 HA PRO 22 9.506 -4.972 -0.475 168 HB2 PRO 22 HB2 PRO 22 9.563 -3.508 -2.792 169 HB3 PRO 22 HB3 PRO 22 9.050 -5.197 -2.697 170 HG2 PRO 22 HG2 PRO 22 7.402 -2.715 -2.815 171 HG3 PRO 22 HG3 PRO 22 7.127 -4.288 -3.583 172 HD2 PRO 22 HD2 PRO 22 5.799 -3.513 -1.370 173 HD3 PRO 22 HD3 PRO 22 6.228 -5.209 -1.674 174 H LYS 23 H LYS 23 11.384 -3.762 -0.254 175 HA LYS 23 HA LYS 23 10.991 -1.142 0.850 176 HB2 LYS 23 HB2 LYS 23 13.435 -1.259 1.329 177 HB3 LYS 23 HB3 LYS 23 12.496 -2.579 2.008 178 HG2 LYS 23 HG2 LYS 23 14.349 -3.677 1.206 179 HG3 LYS 23 HG3 LYS 23 13.205 -3.872 -0.116 180 HD2 LYS 23 HD2 LYS 23 15.324 -3.285 -1.052 181 HD3 LYS 23 HD3 LYS 23 14.251 -1.893 -1.219 182 HE2 LYS 23 HE2 LYS 23 15.270 -0.860 0.741 183 HE3 LYS 23 HE3 LYS 23 16.315 -2.262 0.949 184 HZ1 LYS 23 HZ1 LYS 23 17.274 -1.744 -1.206 185 HZ2 LYS 23 HZ2 LYS 23 17.470 -0.515 -0.163 186 HZ3 LYS 23 HZ3 LYS 23 16.341 -0.413 -1.326 187 HA PRO 24 HA PRO 24 11.855 0.443 1.309 188 HB2 PRO 24 HB2 PRO 24 12.195 3.060 1.072 189 HB3 PRO 24 HB3 PRO 24 13.578 1.959 0.982 190 HG2 PRO 24 HG2 PRO 24 12.144 3.394 -1.208 191 HG3 PRO 24 HG3 PRO 24 13.871 3.039 -1.044 192 HD2 PRO 24 HD2 PRO 24 11.992 1.572 -2.547 193 HD3 PRO 24 HD3 PRO 24 13.638 1.066 -2.132 194 H PHE 25 H PHE 25 9.734 0.177 1.752 195 HA PHE 25 HA PHE 25 7.916 2.353 1.192 196 HB2 PHE 25 HB2 PHE 25 7.530 -0.380 0.019 197 HB3 PHE 25 HB3 PHE 25 6.132 0.557 0.516 198 HD1 PHE 25 HD1 PHE 25 5.723 2.774 -0.523 199 HD2 PHE 25 HD2 PHE 25 8.632 0.063 -2.026 200 HE1 PHE 25 HE1 PHE 25 5.702 3.967 -2.667 201 HE2 PHE 25 HE2 PHE 25 8.628 1.250 -4.179 202 HZ PHE 25 HZ PHE 25 7.163 3.205 -4.506 203 H ALA 26 H ALA 26 5.943 2.171 2.442 204 HA ALA 26 HA ALA 26 6.264 0.411 4.786 205 HB1 ALA 26 HB1 ALA 26 6.573 2.786 5.326 206 HB2 ALA 26 HB2 ALA 26 5.146 2.114 6.114 207 HB3 ALA 26 HB3 ALA 26 4.966 3.131 4.686 208 H ALA 27 H ALA 27 4.562 -0.816 5.407 209 HA ALA 27 HA ALA 27 2.367 -1.154 3.617 210 HB1 ALA 27 HB1 ALA 27 3.295 -3.044 4.857 211 HB2 ALA 27 HB2 ALA 27 1.581 -2.828 5.225 212 HB3 ALA 27 HB3 ALA 27 2.804 -2.296 6.377 213 H PHE 28 H PHE 28 0.995 0.473 3.476 214 HA PHE 28 HA PHE 28 0.085 1.866 5.884 215 HB2 PHE 28 HB2 PHE 28 0.934 3.152 3.914 216 HB3 PHE 28 HB3 PHE 28 -0.391 2.519 2.961 217 HD1 PHE 28 HD1 PHE 28 0.729 5.205 4.871 218 HD2 PHE 28 HD2 PHE 28 -2.801 3.006 3.971 219 HE1 PHE 28 HE1 PHE 28 -0.635 7.127 5.543 220 HE2 PHE 28 HE2 PHE 28 -4.175 4.931 4.644 221 HZ PHE 28 HZ PHE 28 -3.093 6.997 5.427 222 H GLY 29 H GLY 29 -1.379 0.428 6.767 223 HA2 GLY 29 HA2 GLY 29 -3.398 -0.601 7.082 224 HA3 GLY 29 HA3 GLY 29 -4.021 0.728 6.124 225 H THR 30 H THR 30 -5.180 0.143 4.453 226 HA THR 30 HA THR 30 -4.463 -2.251 2.932 227 HB THR 30 HB THR 30 -6.941 -2.830 2.854 228 HG1 THR 30 HG1 THR 30 -7.628 -0.837 3.881 229 HG21 THR 30 HG21 THR 30 -5.297 -4.180 4.036 230 HG22 THR 30 HG22 THR 30 -6.814 -4.123 4.936 231 HG23 THR 30 HG23 THR 30 -5.443 -3.140 5.453 232 H CYS 31 H CYS 31 -4.834 -2.114 0.856 233 HA CYS 31 HA CYS 31 -5.809 0.384 -0.274 234 HB2 CYS 31 HB2 CYS 31 -4.056 -1.801 -1.169 235 HB3 CYS 31 HB3 CYS 31 -5.120 -1.159 -2.412 236 H SER 32 H SER 32 -6.724 -0.684 -2.742 237 HA SER 32 HA SER 32 -9.316 -1.150 -2.630 238 HB2 SER 32 HB2 SER 32 -7.605 -3.011 -4.235 239 HB3 SER 32 HB3 SER 32 -9.139 -2.273 -4.683 240 HG SER 32 HG SER 32 -7.209 -1.319 -5.653 241 H TRP 33 H TRP 33 -10.320 -2.209 -1.046 242 HA TRP 33 HA TRP 33 -11.042 -3.807 0.367 243 HB2 TRP 33 HB2 TRP 33 -10.041 -5.756 -1.706 244 HB3 TRP 33 HB3 TRP 33 -11.363 -5.986 -0.563 245 HD1 TRP 33 HD1 TRP 33 -11.019 -5.490 -4.045 246 HE1 TRP 33 HE1 TRP 33 -13.017 -4.259 -5.099 247 HE3 TRP 33 HE3 TRP 33 -13.051 -3.465 0.188 248 HZ2 TRP 33 HZ2 TRP 33 -15.156 -2.631 -4.247 249 HZ3 TRP 33 HZ3 TRP 33 -15.064 -2.073 -0.024 250 HH2 TRP 33 HH2 TRP 33 -16.090 -1.665 -2.204 251 H ARG 34 H ARG 34 -10.332 -5.923 1.582 252 HA ARG 34 HA ARG 34 -7.710 -5.355 2.630 253 HB2 ARG 34 HB2 ARG 34 -8.163 -7.135 4.254 254 HB3 ARG 34 HB3 ARG 34 -9.476 -5.972 4.179 255 HG2 ARG 34 HG2 ARG 34 -10.839 -7.498 2.930 256 HG3 ARG 34 HG3 ARG 34 -9.498 -8.634 2.773 257 HD2 ARG 34 HD2 ARG 34 -10.752 -7.792 5.385 258 HD3 ARG 34 HD3 ARG 34 -11.127 -9.283 4.521 259 HE ARG 34 HE ARG 34 -8.493 -9.515 4.792 260 HH11 ARG 34 HH11 ARG 34 -10.926 -8.575 7.138 261 HH12 ARG 34 HH12 ARG 34 -10.038 -9.209 8.489 262 HH21 ARG 34 HH21 ARG 34 -7.338 -10.349 6.571 263 HH22 ARG 34 HH22 ARG 34 -8.000 -10.208 8.167 264 H GLN 35 H GLN 35 -7.939 -6.304 -0.102 265 HA GLN 35 HA GLN 35 -6.610 -8.918 -0.019 266 HB2 GLN 35 HB2 GLN 35 -7.651 -7.381 -2.404 267 HB3 GLN 35 HB3 GLN 35 -7.135 -9.063 -2.375 268 HG2 GLN 35 HG2 GLN 35 -9.420 -8.054 -0.722 269 HG3 GLN 35 HG3 GLN 35 -9.622 -8.618 -2.376 270 HE21 GLN 35 HE21 GLN 35 -8.823 -9.520 0.881 271 HE22 GLN 35 HE22 GLN 35 -9.007 -11.227 0.672 272 H LYS 36 H LYS 36 -6.217 -5.564 -0.785 273 HA LYS 36 HA LYS 36 -3.442 -6.080 -1.627 274 HB2 LYS 36 HB2 LYS 36 -4.936 -3.587 -2.379 275 HB3 LYS 36 HB3 LYS 36 -3.531 -4.289 -3.133 276 HG2 LYS 36 HG2 LYS 36 -6.137 -5.745 -3.205 277 HG3 LYS 36 HG3 LYS 36 -5.824 -4.412 -4.319 278 HD2 LYS 36 HD2 LYS 36 -3.912 -6.702 -3.979 279 HD3 LYS 36 HD3 LYS 36 -5.244 -6.746 -5.137 280 HE2 LYS 36 HE2 LYS 36 -3.364 -4.426 -5.102 281 HE3 LYS 36 HE3 LYS 36 -2.890 -5.924 -5.885 282 HZ1 LYS 36 HZ1 LYS 36 -5.253 -4.307 -6.534 283 HZ2 LYS 36 HZ2 LYS 36 -4.900 -5.732 -7.231 284 HZ3 LYS 36 HZ3 LYS 36 -3.914 -4.456 -7.451 285 H THR 37 H THR 37 -1.869 -4.980 -0.572 286 HA THR 37 HA THR 37 -2.691 -3.250 1.657 287 HB THR 37 HB THR 37 0.045 -4.439 1.118 288 HG1 THR 37 HG1 THR 37 -0.836 -6.245 1.749 289 HG21 THR 37 HG21 THR 37 0.438 -3.982 3.497 290 HG22 THR 37 HG22 THR 37 -1.168 -3.264 3.626 291 HG23 THR 37 HG23 THR 37 0.061 -2.500 2.617 292 H CYS 38 H CYS 38 -1.819 -1.143 1.854 293 HA CYS 38 HA CYS 38 -0.989 0.043 -0.653 294 HB2 CYS 38 HB2 CYS 38 -1.380 1.313 2.054 295 HB3 CYS 38 HB3 CYS 38 -1.241 2.155 0.519 296 H CYS 39 H CYS 39 1.044 0.694 -1.140 297 HA CYS 39 HA CYS 39 3.056 0.482 1.000 298 HB2 CYS 39 HB2 CYS 39 3.382 -0.060 -1.958 299 HB3 CYS 39 HB3 CYS 39 4.686 -0.099 -0.772 300 H VAL 40 H VAL 40 3.617 2.427 1.632 301 HA VAL 40 HA VAL 40 4.255 4.452 -0.379 302 HB VAL 40 HB VAL 40 3.159 6.181 1.180 303 HG11 VAL 40 HG11 VAL 40 2.316 5.465 -1.064 304 HG12 VAL 40 HG12 VAL 40 1.055 6.000 0.052 305 HG13 VAL 40 HG13 VAL 40 1.301 4.276 -0.238 306 HG21 VAL 40 HG21 VAL 40 1.707 3.699 2.074 307 HG22 VAL 40 HG22 VAL 40 1.267 5.357 2.487 308 HG23 VAL 40 HG23 VAL 40 2.786 4.675 3.072 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 -14.465 4.592 -5.933 2 H2 LEU 1 H2 LEU 1 -14.592 3.477 -7.102 3 H3 LEU 1 H3 LEU 1 -13.742 4.836 -7.370 4 HA LEU 1 HA LEU 1 -12.309 2.957 -7.013 5 HB2 LEU 1 HB2 LEU 1 -10.798 4.008 -5.508 6 HB3 LEU 1 HB3 LEU 1 -11.605 5.269 -6.403 7 HG LEU 1 HG LEU 1 -11.399 6.115 -4.248 8 HD11 LEU 1 HD11 LEU 1 -13.664 6.420 -5.084 9 HD12 LEU 1 HD12 LEU 1 -13.612 6.330 -3.324 10 HD13 LEU 1 HD13 LEU 1 -14.164 4.943 -4.260 11 HD21 LEU 1 HD21 LEU 1 -12.329 3.475 -3.149 12 HD22 LEU 1 HD22 LEU 1 -11.952 4.911 -2.198 13 HD23 LEU 1 HD23 LEU 1 -10.682 4.108 -3.123 14 HA PRO 2 HA PRO 2 -13.295 -0.478 -4.473 15 HB2 PRO 2 HB2 PRO 2 -10.592 0.091 -3.329 16 HB3 PRO 2 HB3 PRO 2 -11.301 -1.456 -3.781 17 HG2 PRO 2 HG2 PRO 2 -9.578 -0.220 -5.384 18 HG3 PRO 2 HG3 PRO 2 -10.983 -1.084 -6.047 19 HD2 PRO 2 HD2 PRO 2 -10.466 1.819 -5.884 20 HD3 PRO 2 HD3 PRO 2 -11.541 0.925 -6.974 21 H ARG 3 H ARG 3 -11.096 1.202 -2.275 22 HA ARG 3 HA ARG 3 -13.164 2.258 -0.637 23 HB2 ARG 3 HB2 ARG 3 -12.805 0.869 1.348 24 HB3 ARG 3 HB3 ARG 3 -13.399 -0.076 0.002 25 HG2 ARG 3 HG2 ARG 3 -11.314 -1.099 -0.346 26 HG3 ARG 3 HG3 ARG 3 -10.487 0.058 0.701 27 HD2 ARG 3 HD2 ARG 3 -12.606 -1.857 1.660 28 HD3 ARG 3 HD3 ARG 3 -10.877 -2.201 1.717 29 HE ARG 3 HE ARG 3 -10.854 0.038 3.052 30 HH11 ARG 3 HH11 ARG 3 -13.306 -2.477 3.227 31 HH12 ARG 3 HH12 ARG 3 -13.694 -2.143 4.885 32 HH21 ARG 3 HH21 ARG 3 -11.379 0.455 5.229 33 HH22 ARG 3 HH22 ARG 3 -12.611 -0.474 6.015 34 H ASP 4 H ASP 4 -9.765 1.208 -0.702 35 HA ASP 4 HA ASP 4 -9.105 3.646 0.814 36 HB2 ASP 4 HB2 ASP 4 -8.055 0.857 1.045 37 HB3 ASP 4 HB3 ASP 4 -7.020 2.209 1.486 38 H THR 5 H THR 5 -8.795 2.216 -2.149 39 HA THR 5 HA THR 5 -6.267 2.590 -3.075 40 HB THR 5 HB THR 5 -8.661 3.548 -4.617 41 HG1 THR 5 HG1 THR 5 -7.963 0.849 -4.709 42 HG21 THR 5 HG21 THR 5 -7.458 2.531 -6.505 43 HG22 THR 5 HG22 THR 5 -6.149 2.068 -5.418 44 HG23 THR 5 HG23 THR 5 -6.489 3.775 -5.715 45 H SER 6 H SER 6 -8.776 5.153 -3.064 46 HA SER 6 HA SER 6 -7.027 7.105 -4.139 47 HB2 SER 6 HB2 SER 6 -9.668 7.468 -2.716 48 HB3 SER 6 HB3 SER 6 -8.854 8.681 -3.706 49 HG SER 6 HG SER 6 -9.894 7.805 -5.299 50 H ARG 7 H ARG 7 -7.732 6.055 -0.921 51 HA ARG 7 HA ARG 7 -6.633 8.286 0.453 52 HB2 ARG 7 HB2 ARG 7 -8.059 6.806 1.668 53 HB3 ARG 7 HB3 ARG 7 -7.093 5.407 1.228 54 HG2 ARG 7 HG2 ARG 7 -5.299 6.133 2.652 55 HG3 ARG 7 HG3 ARG 7 -6.140 7.645 3.001 56 HD2 ARG 7 HD2 ARG 7 -7.253 4.923 3.649 57 HD3 ARG 7 HD3 ARG 7 -6.318 5.891 4.787 58 HE ARG 7 HE ARG 7 -8.140 7.636 4.332 59 HH11 ARG 7 HH11 ARG 7 -8.710 4.173 4.326 60 HH12 ARG 7 HH12 ARG 7 -10.353 4.330 4.864 61 HH21 ARG 7 HH21 ARG 7 -10.291 7.828 5.045 62 HH22 ARG 7 HH22 ARG 7 -11.248 6.401 5.281 63 H CYS 8 H CYS 8 -5.335 5.236 -0.746 64 HA CYS 8 HA CYS 8 -2.746 5.554 0.385 65 HB2 CYS 8 HB2 CYS 8 -3.530 3.361 -0.173 66 HB3 CYS 8 HB3 CYS 8 -3.806 3.827 -1.849 67 H VAL 9 H VAL 9 -4.102 6.202 -2.832 68 HA VAL 9 HA VAL 9 -1.532 6.984 -3.879 69 HB VAL 9 HB VAL 9 -3.272 5.906 -5.296 70 HG11 VAL 9 HG11 VAL 9 -5.149 7.214 -6.132 71 HG12 VAL 9 HG12 VAL 9 -4.717 8.531 -5.038 72 HG13 VAL 9 HG13 VAL 9 -5.235 6.975 -4.388 73 HG21 VAL 9 HG21 VAL 9 -1.489 7.130 -6.364 74 HG22 VAL 9 HG22 VAL 9 -2.381 8.640 -6.184 75 HG23 VAL 9 HG23 VAL 9 -2.992 7.377 -7.255 76 H GLY 10 H GLY 10 -3.918 8.483 -2.047 77 HA2 GLY 10 HA2 GLY 10 -3.508 11.187 -2.763 78 HA3 GLY 10 HA3 GLY 10 -4.027 10.611 -1.182 79 H TYR 11 H TYR 11 -1.589 8.868 -1.087 80 HA TYR 11 HA TYR 11 0.300 10.897 -0.185 81 HB2 TYR 11 HB2 TYR 11 0.187 7.902 0.206 82 HB3 TYR 11 HB3 TYR 11 1.537 8.890 0.753 83 HD1 TYR 11 HD1 TYR 11 1.377 10.201 2.732 84 HD2 TYR 11 HD2 TYR 11 -2.061 8.204 1.230 85 HE1 TYR 11 HE1 TYR 11 0.204 10.659 4.836 86 HE2 TYR 11 HE2 TYR 11 -3.250 8.657 3.333 87 HH TYR 11 HH TYR 11 -2.741 9.151 5.668 88 H HIS 12 H HIS 12 1.911 8.050 -0.965 89 HA HIS 12 HA HIS 12 2.501 8.646 -3.722 90 HB2 HIS 12 HB2 HIS 12 4.731 8.969 -1.687 91 HB3 HIS 12 HB3 HIS 12 4.900 9.057 -3.432 92 HD1 HIS 12 HD1 HIS 12 4.083 11.259 -4.588 93 HD2 HIS 12 HD2 HIS 12 3.827 11.260 -0.438 94 HE1 HIS 12 HE1 HIS 12 3.744 13.663 -3.933 95 HE2 HIS 12 HE2 HIS 12 3.654 13.651 -1.415 96 H GLY 13 H GLY 13 2.318 6.554 -4.388 97 HA2 GLY 13 HA2 GLY 13 4.256 4.661 -4.079 98 HA3 GLY 13 HA3 GLY 13 3.179 4.374 -2.719 99 H TYR 14 H TYR 14 2.211 2.488 -3.275 100 HA TYR 14 HA TYR 14 0.266 2.518 -5.349 101 HB2 TYR 14 HB2 TYR 14 1.184 0.761 -6.780 102 HB3 TYR 14 HB3 TYR 14 2.192 2.193 -6.799 103 HD1 TYR 14 HD1 TYR 14 2.086 -1.345 -6.282 104 HD2 TYR 14 HD2 TYR 14 4.326 2.158 -5.375 105 HE1 TYR 14 HE1 TYR 14 4.051 -2.739 -5.790 106 HE2 TYR 14 HE2 TYR 14 6.293 0.774 -4.874 107 HH TYR 14 HH TYR 14 6.485 -2.514 -5.714 108 H CYS 15 H CYS 15 -0.528 0.170 -5.755 109 HA CYS 15 HA CYS 15 -0.963 -0.978 -3.085 110 HB2 CYS 15 HB2 CYS 15 -2.628 -1.247 -5.599 111 HB3 CYS 15 HB3 CYS 15 -3.063 -1.826 -3.995 112 H ILE 16 H ILE 16 -0.493 -3.104 -2.670 113 HA ILE 16 HA ILE 16 0.206 -4.807 -4.970 114 HB ILE 16 HB ILE 16 2.042 -5.777 -3.869 115 HG12 ILE 16 HG12 ILE 16 1.324 -4.215 -1.387 116 HG13 ILE 16 HG13 ILE 16 0.995 -5.925 -1.627 117 HG21 ILE 16 HG21 ILE 16 2.530 -3.604 -4.837 118 HG22 ILE 16 HG22 ILE 16 3.552 -3.925 -3.435 119 HG23 ILE 16 HG23 ILE 16 2.174 -2.830 -3.294 120 HD11 ILE 16 HD11 ILE 16 3.707 -4.632 -1.492 121 HD12 ILE 16 HD12 ILE 16 3.407 -6.341 -1.809 122 HD13 ILE 16 HD13 ILE 16 2.952 -5.639 -0.256 123 H ARG 17 H ARG 17 -0.398 -6.962 -4.801 124 HA ARG 17 HA ARG 17 -2.162 -7.646 -2.602 125 HB2 ARG 17 HB2 ARG 17 -2.136 -9.933 -3.988 126 HB3 ARG 17 HB3 ARG 17 -3.180 -8.587 -4.395 127 HG2 ARG 17 HG2 ARG 17 -2.246 -9.417 -6.405 128 HG3 ARG 17 HG3 ARG 17 -1.483 -7.871 -6.077 129 HD2 ARG 17 HD2 ARG 17 -0.054 -10.174 -4.970 130 HD3 ARG 17 HD3 ARG 17 -0.179 -10.185 -6.725 131 HE ARG 17 HE ARG 17 1.180 -8.145 -5.093 132 HH11 ARG 17 HH11 ARG 17 0.427 -9.514 -8.229 133 HH12 ARG 17 HH12 ARG 17 1.714 -8.680 -9.041 134 HH21 ARG 17 HH21 ARG 17 2.872 -7.054 -6.159 135 HH22 ARG 17 HH22 ARG 17 3.099 -7.277 -7.862 136 H SER 18 H SER 18 -0.718 -7.634 -0.940 137 HA SER 18 HA SER 18 0.393 -10.061 -0.146 138 HB2 SER 18 HB2 SER 18 2.141 -9.581 -1.840 139 HB3 SER 18 HB3 SER 18 2.452 -8.027 -1.073 140 HG SER 18 HG SER 18 3.830 -9.959 -0.522 141 H LYS 19 H LYS 19 1.489 -9.803 1.982 142 HA LYS 19 HA LYS 19 0.636 -7.305 3.267 143 HB2 LYS 19 HB2 LYS 19 1.335 -9.940 4.565 144 HB3 LYS 19 HB3 LYS 19 0.606 -8.543 5.344 145 HG2 LYS 19 HG2 LYS 19 -0.641 -10.276 3.223 146 HG3 LYS 19 HG3 LYS 19 -1.070 -10.218 4.926 147 HD2 LYS 19 HD2 LYS 19 -1.382 -7.985 2.921 148 HD3 LYS 19 HD3 LYS 19 -2.680 -8.965 3.601 149 HE2 LYS 19 HE2 LYS 19 -2.231 -8.073 5.811 150 HE3 LYS 19 HE3 LYS 19 -0.862 -7.155 5.186 151 HZ1 LYS 19 HZ1 LYS 19 -3.659 -6.763 4.405 152 HZ2 LYS 19 HZ2 LYS 19 -2.394 -5.913 3.832 153 HZ3 LYS 19 HZ3 LYS 19 -2.810 -5.792 5.399 154 H VAL 20 H VAL 20 3.262 -8.330 1.831 155 HA VAL 20 HA VAL 20 5.050 -7.065 3.805 156 HB VAL 20 HB VAL 20 5.845 -9.192 1.801 157 HG11 VAL 20 HG11 VAL 20 7.416 -7.878 4.016 158 HG12 VAL 20 HG12 VAL 20 7.627 -7.601 2.287 159 HG13 VAL 20 HG13 VAL 20 7.991 -9.183 2.977 160 HG21 VAL 20 HG21 VAL 20 4.480 -10.152 3.583 161 HG22 VAL 20 HG22 VAL 20 5.527 -9.411 4.794 162 HG23 VAL 20 HG23 VAL 20 6.161 -10.666 3.730 163 H CYS 21 H CYS 21 5.280 -5.047 3.050 164 HA CYS 21 HA CYS 21 5.305 -4.492 0.220 165 HB2 CYS 21 HB2 CYS 21 5.555 -2.759 2.674 166 HB3 CYS 21 HB3 CYS 21 5.710 -2.116 1.041 167 HA PRO 22 HA PRO 22 9.732 -4.822 -0.237 168 HB2 PRO 22 HB2 PRO 22 9.859 -3.549 -2.649 169 HB3 PRO 22 HB3 PRO 22 9.433 -5.254 -2.459 170 HG2 PRO 22 HG2 PRO 22 7.672 -2.890 -2.905 171 HG3 PRO 22 HG3 PRO 22 7.526 -4.539 -3.534 172 HD2 PRO 22 HD2 PRO 22 6.031 -3.596 -1.471 173 HD3 PRO 22 HD3 PRO 22 6.485 -5.303 -1.638 174 H LYS 23 H LYS 23 11.528 -3.429 -0.091 175 HA LYS 23 HA LYS 23 10.851 -0.804 0.892 176 HB2 LYS 23 HB2 LYS 23 13.171 -0.688 1.597 177 HB3 LYS 23 HB3 LYS 23 12.447 -2.215 2.092 178 HG2 LYS 23 HG2 LYS 23 13.482 -3.185 -0.030 179 HG3 LYS 23 HG3 LYS 23 14.448 -1.706 -0.074 180 HD2 LYS 23 HD2 LYS 23 15.198 -2.177 2.224 181 HD3 LYS 23 HD3 LYS 23 14.295 -3.692 2.172 182 HE2 LYS 23 HE2 LYS 23 16.650 -4.084 1.707 183 HE3 LYS 23 HE3 LYS 23 15.665 -4.448 0.291 184 HZ1 LYS 23 HZ1 LYS 23 17.602 -3.208 -0.316 185 HZ2 LYS 23 HZ2 LYS 23 17.230 -2.003 0.707 186 HZ3 LYS 23 HZ3 LYS 23 16.284 -2.290 -0.583 187 HA PRO 24 HA PRO 24 11.748 0.793 1.387 188 HB2 PRO 24 HB2 PRO 24 11.894 3.439 1.134 189 HB3 PRO 24 HB3 PRO 24 13.351 2.443 1.082 190 HG2 PRO 24 HG2 PRO 24 11.866 3.754 -1.147 191 HG3 PRO 24 HG3 PRO 24 13.610 3.510 -0.952 192 HD2 PRO 24 HD2 PRO 24 11.860 1.918 -2.480 193 HD3 PRO 24 HD3 PRO 24 13.522 1.513 -2.017 194 H PHE 25 H PHE 25 9.652 0.331 1.759 195 HA PHE 25 HA PHE 25 7.691 2.401 1.286 196 HB2 PHE 25 HB2 PHE 25 7.426 -0.361 0.110 197 HB3 PHE 25 HB3 PHE 25 6.015 0.598 0.512 198 HD1 PHE 25 HD1 PHE 25 8.675 0.058 -1.885 199 HD2 PHE 25 HD2 PHE 25 5.614 2.729 -0.640 200 HE1 PHE 25 HE1 PHE 25 8.769 1.187 -4.071 201 HE2 PHE 25 HE2 PHE 25 5.693 3.863 -2.810 202 HZ PHE 25 HZ PHE 25 7.279 3.094 -4.536 203 H ALA 26 H ALA 26 5.833 2.142 2.625 204 HA ALA 26 HA ALA 26 6.257 0.262 4.858 205 HB1 ALA 26 HB1 ALA 26 4.882 2.950 4.886 206 HB2 ALA 26 HB2 ALA 26 6.481 2.593 5.540 207 HB3 ALA 26 HB3 ALA 26 5.048 1.865 6.267 208 H ALA 27 H ALA 27 4.518 -0.918 5.612 209 HA ALA 27 HA ALA 27 2.385 -1.416 3.781 210 HB1 ALA 27 HB1 ALA 27 3.308 -3.216 5.144 211 HB2 ALA 27 HB2 ALA 27 1.587 -3.009 5.470 212 HB3 ALA 27 HB3 ALA 27 2.780 -2.391 6.611 213 H PHE 28 H PHE 28 1.253 0.463 3.544 214 HA PHE 28 HA PHE 28 0.213 1.875 5.851 215 HB2 PHE 28 HB2 PHE 28 1.093 3.056 3.841 216 HB3 PHE 28 HB3 PHE 28 -0.208 2.366 2.888 217 HD1 PHE 28 HD1 PHE 28 -2.618 2.959 3.616 218 HD2 PHE 28 HD2 PHE 28 0.840 5.102 4.874 219 HE1 PHE 28 HE1 PHE 28 -4.023 4.902 4.146 220 HE2 PHE 28 HE2 PHE 28 -0.567 7.045 5.421 221 HZ PHE 28 HZ PHE 28 -3.000 6.946 5.051 222 H GLY 29 H GLY 29 -1.169 0.309 6.742 223 HA2 GLY 29 HA2 GLY 29 -3.168 -0.735 7.107 224 HA3 GLY 29 HA3 GLY 29 -3.837 0.642 6.250 225 H THR 30 H THR 30 -4.838 0.300 4.417 226 HA THR 30 HA THR 30 -4.363 -2.165 2.908 227 HB THR 30 HB THR 30 -6.879 -2.390 2.665 228 HG1 THR 30 HG1 THR 30 -6.982 -0.168 3.935 229 HG21 THR 30 HG21 THR 30 -5.527 -3.923 3.989 230 HG22 THR 30 HG22 THR 30 -7.082 -3.635 4.779 231 HG23 THR 30 HG23 THR 30 -5.624 -2.836 5.375 232 H CYS 31 H CYS 31 -5.085 -2.104 0.797 233 HA CYS 31 HA CYS 31 -5.626 0.557 -0.333 234 HB2 CYS 31 HB2 CYS 31 -3.737 -1.474 -1.052 235 HB3 CYS 31 HB3 CYS 31 -4.879 -1.255 -2.370 236 H SER 32 H SER 32 -6.512 -0.441 -2.859 237 HA SER 32 HA SER 32 -9.110 -0.886 -2.817 238 HB2 SER 32 HB2 SER 32 -7.352 -2.704 -4.431 239 HB3 SER 32 HB3 SER 32 -8.900 -1.999 -4.887 240 HG SER 32 HG SER 32 -6.731 -1.039 -5.645 241 H TRP 33 H TRP 33 -10.187 -1.977 -1.301 242 HA TRP 33 HA TRP 33 -10.995 -3.612 0.026 243 HB2 TRP 33 HB2 TRP 33 -9.850 -5.501 -2.037 244 HB3 TRP 33 HB3 TRP 33 -11.182 -5.818 -0.929 245 HD1 TRP 33 HD1 TRP 33 -10.784 -5.149 -4.408 246 HE1 TRP 33 HE1 TRP 33 -12.824 -3.965 -5.443 247 HE3 TRP 33 HE3 TRP 33 -13.048 -3.523 -0.116 248 HZ2 TRP 33 HZ2 TRP 33 -15.079 -2.526 -4.553 249 HZ3 TRP 33 HZ3 TRP 33 -15.131 -2.228 -0.303 250 HH2 TRP 33 HH2 TRP 33 -16.125 -1.750 -2.485 251 H ARG 34 H ARG 34 -10.387 -5.602 1.374 252 HA ARG 34 HA ARG 34 -7.784 -5.118 2.509 253 HB2 ARG 34 HB2 ARG 34 -8.380 -6.901 4.126 254 HB3 ARG 34 HB3 ARG 34 -9.586 -5.628 4.026 255 HG2 ARG 34 HG2 ARG 34 -11.055 -7.016 2.768 256 HG3 ARG 34 HG3 ARG 34 -9.811 -8.252 2.574 257 HD2 ARG 34 HD2 ARG 34 -11.495 -8.810 4.305 258 HD3 ARG 34 HD3 ARG 34 -9.847 -8.735 4.925 259 HE ARG 34 HE ARG 34 -11.256 -6.258 5.218 260 HH11 ARG 34 HH11 ARG 34 -10.772 -9.421 6.631 261 HH12 ARG 34 HH12 ARG 34 -11.156 -8.901 8.239 262 HH21 ARG 34 HH21 ARG 34 -11.768 -5.574 7.334 263 HH22 ARG 34 HH22 ARG 34 -11.732 -6.719 8.638 264 H GLN 35 H GLN 35 -7.948 -6.119 -0.198 265 HA GLN 35 HA GLN 35 -6.692 -8.765 -0.012 266 HB2 GLN 35 HB2 GLN 35 -7.650 -7.294 -2.472 267 HB3 GLN 35 HB3 GLN 35 -7.209 -8.993 -2.353 268 HG2 GLN 35 HG2 GLN 35 -9.497 -7.778 -0.839 269 HG3 GLN 35 HG3 GLN 35 -9.663 -8.494 -2.434 270 HE21 GLN 35 HE21 GLN 35 -9.062 -9.092 0.923 271 HE22 GLN 35 HE22 GLN 35 -9.277 -10.805 0.872 272 H LYS 36 H LYS 36 -6.234 -5.438 -0.845 273 HA LYS 36 HA LYS 36 -3.446 -6.018 -1.595 274 HB2 LYS 36 HB2 LYS 36 -4.861 -3.507 -2.426 275 HB3 LYS 36 HB3 LYS 36 -3.444 -4.244 -3.120 276 HG2 LYS 36 HG2 LYS 36 -6.069 -5.652 -3.262 277 HG3 LYS 36 HG3 LYS 36 -5.699 -4.339 -4.382 278 HD2 LYS 36 HD2 LYS 36 -3.854 -6.670 -3.949 279 HD3 LYS 36 HD3 LYS 36 -5.134 -6.679 -5.166 280 HE2 LYS 36 HE2 LYS 36 -3.135 -4.451 -5.030 281 HE3 LYS 36 HE3 LYS 36 -2.769 -5.947 -5.866 282 HZ1 LYS 36 HZ1 LYS 36 -3.690 -4.242 -7.316 283 HZ2 LYS 36 HZ2 LYS 36 -5.074 -4.240 -6.463 284 HZ3 LYS 36 HZ3 LYS 36 -4.634 -5.570 -7.285 285 H THR 37 H THR 37 -1.889 -4.932 -0.512 286 HA THR 37 HA THR 37 -2.744 -3.183 1.688 287 HB THR 37 HB THR 37 -0.020 -4.420 1.167 288 HG1 THR 37 HG1 THR 37 -0.874 -6.172 1.947 289 HG21 THR 37 HG21 THR 37 0.044 -2.414 2.590 290 HG22 THR 37 HG22 THR 37 0.446 -3.870 3.499 291 HG23 THR 37 HG23 THR 37 -1.154 -3.142 3.663 292 H CYS 38 H CYS 38 -1.908 -1.061 1.852 293 HA CYS 38 HA CYS 38 -1.012 0.078 -0.645 294 HB2 CYS 38 HB2 CYS 38 -2.590 1.397 0.565 295 HB3 CYS 38 HB3 CYS 38 -1.649 1.275 2.049 296 H CYS 39 H CYS 39 1.013 0.620 -1.155 297 HA CYS 39 HA CYS 39 3.040 0.442 0.969 298 HB2 CYS 39 HB2 CYS 39 3.351 -0.213 -1.969 299 HB3 CYS 39 HB3 CYS 39 4.630 -0.290 -0.758 300 H VAL 40 H VAL 40 3.697 2.388 1.492 301 HA VAL 40 HA VAL 40 4.274 4.308 -0.643 302 HB VAL 40 HB VAL 40 3.454 6.129 0.977 303 HG11 VAL 40 HG11 VAL 40 1.221 6.028 0.088 304 HG12 VAL 40 HG12 VAL 40 1.379 4.299 -0.219 305 HG13 VAL 40 HG13 VAL 40 2.347 5.449 -1.144 306 HG21 VAL 40 HG21 VAL 40 3.205 4.690 2.934 307 HG22 VAL 40 HG22 VAL 40 1.960 3.767 2.088 308 HG23 VAL 40 HG23 VAL 40 1.679 5.461 2.500 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 -13.910 4.424 -6.538 2 H2 LEU 1 H2 LEU 1 -14.220 3.231 -7.593 3 H3 LEU 1 H3 LEU 1 -13.219 4.435 -8.012 4 HA LEU 1 HA LEU 1 -11.972 2.470 -7.519 5 HB2 LEU 1 HB2 LEU 1 -11.691 4.605 -5.394 6 HB3 LEU 1 HB3 LEU 1 -10.484 3.398 -5.782 7 HG LEU 1 HG LEU 1 -10.635 4.475 -8.184 8 HD11 LEU 1 HD11 LEU 1 -12.495 5.972 -7.610 9 HD12 LEU 1 HD12 LEU 1 -11.058 6.853 -8.123 10 HD13 LEU 1 HD13 LEU 1 -11.471 6.763 -6.412 11 HD21 LEU 1 HD21 LEU 1 -8.791 5.954 -7.578 12 HD22 LEU 1 HD22 LEU 1 -8.638 4.384 -6.791 13 HD23 LEU 1 HD23 LEU 1 -9.205 5.779 -5.873 14 HA PRO 2 HA PRO 2 -13.162 -0.687 -4.674 15 HB2 PRO 2 HB2 PRO 2 -10.515 -0.045 -3.444 16 HB3 PRO 2 HB3 PRO 2 -11.224 -1.617 -3.788 17 HG2 PRO 2 HG2 PRO 2 -9.382 -0.453 -5.383 18 HG3 PRO 2 HG3 PRO 2 -10.642 -1.536 -6.006 19 HD2 PRO 2 HD2 PRO 2 -10.316 1.335 -6.403 20 HD3 PRO 2 HD3 PRO 2 -11.419 0.215 -7.223 21 H ARG 3 H ARG 3 -11.037 1.080 -2.489 22 HA ARG 3 HA ARG 3 -13.117 2.495 -1.186 23 HB2 ARG 3 HB2 ARG 3 -13.002 1.295 0.996 24 HB3 ARG 3 HB3 ARG 3 -13.750 0.384 -0.291 25 HG2 ARG 3 HG2 ARG 3 -11.864 -1.031 -0.515 26 HG3 ARG 3 HG3 ARG 3 -10.896 -0.003 0.544 27 HD2 ARG 3 HD2 ARG 3 -13.412 -1.379 1.451 28 HD3 ARG 3 HD3 ARG 3 -11.814 -2.109 1.596 29 HE ARG 3 HE ARG 3 -11.343 0.162 2.826 30 HH11 ARG 3 HH11 ARG 3 -14.177 -1.895 3.093 31 HH12 ARG 3 HH12 ARG 3 -14.530 -1.404 4.717 32 HH21 ARG 3 HH21 ARG 3 -11.813 0.806 4.947 33 HH22 ARG 3 HH22 ARG 3 -13.181 0.134 5.778 34 H ASP 4 H ASP 4 -9.889 1.078 -0.644 35 HA ASP 4 HA ASP 4 -9.162 3.508 0.828 36 HB2 ASP 4 HB2 ASP 4 -7.999 0.735 0.810 37 HB3 ASP 4 HB3 ASP 4 -7.132 2.100 1.505 38 H THR 5 H THR 5 -8.726 2.069 -2.188 39 HA THR 5 HA THR 5 -6.197 2.594 -3.020 40 HB THR 5 HB THR 5 -8.562 3.433 -4.676 41 HG1 THR 5 HG1 THR 5 -7.728 0.762 -4.712 42 HG21 THR 5 HG21 THR 5 -7.220 2.497 -6.502 43 HG22 THR 5 HG22 THR 5 -5.955 2.059 -5.353 44 HG23 THR 5 HG23 THR 5 -6.331 3.762 -5.643 45 H SER 6 H SER 6 -8.840 5.000 -2.985 46 HA SER 6 HA SER 6 -7.381 7.150 -3.998 47 HB2 SER 6 HB2 SER 6 -9.691 7.265 -2.042 48 HB3 SER 6 HB3 SER 6 -9.181 8.545 -3.142 49 HG SER 6 HG SER 6 -9.971 7.455 -4.826 50 H ARG 7 H ARG 7 -7.824 6.007 -0.700 51 HA ARG 7 HA ARG 7 -6.616 8.173 0.616 52 HB2 ARG 7 HB2 ARG 7 -7.997 6.538 1.785 53 HB3 ARG 7 HB3 ARG 7 -6.835 5.271 1.427 54 HG2 ARG 7 HG2 ARG 7 -5.192 6.311 2.840 55 HG3 ARG 7 HG3 ARG 7 -6.258 7.691 3.121 56 HD2 ARG 7 HD2 ARG 7 -6.819 4.834 3.913 57 HD3 ARG 7 HD3 ARG 7 -6.297 6.121 5.001 58 HE ARG 7 HE ARG 7 -8.589 7.035 3.753 59 HH11 ARG 7 HH11 ARG 7 -7.714 4.385 5.873 60 HH12 ARG 7 HH12 ARG 7 -9.293 4.277 6.584 61 HH21 ARG 7 HH21 ARG 7 -10.657 6.896 4.696 62 HH22 ARG 7 HH22 ARG 7 -10.960 5.701 5.921 63 H CYS 8 H CYS 8 -5.325 5.142 -0.661 64 HA CYS 8 HA CYS 8 -2.690 5.498 0.314 65 HB2 CYS 8 HB2 CYS 8 -3.488 3.308 -0.296 66 HB3 CYS 8 HB3 CYS 8 -3.789 3.830 -1.951 67 H VAL 9 H VAL 9 -4.237 6.281 -2.774 68 HA VAL 9 HA VAL 9 -1.733 7.038 -3.974 69 HB VAL 9 HB VAL 9 -3.594 6.039 -5.291 70 HG11 VAL 9 HG11 VAL 9 -4.954 8.695 -4.915 71 HG12 VAL 9 HG12 VAL 9 -5.461 7.157 -4.216 72 HG13 VAL 9 HG13 VAL 9 -5.494 7.382 -5.964 73 HG21 VAL 9 HG21 VAL 9 -3.388 7.519 -7.238 74 HG22 VAL 9 HG22 VAL 9 -1.841 7.262 -6.435 75 HG23 VAL 9 HG23 VAL 9 -2.715 8.776 -6.199 76 H GLY 10 H GLY 10 -4.114 8.614 -2.084 77 HA2 GLY 10 HA2 GLY 10 -3.603 11.296 -2.799 78 HA3 GLY 10 HA3 GLY 10 -4.165 10.749 -1.225 79 H TYR 11 H TYR 11 -1.765 8.952 -1.064 80 HA TYR 11 HA TYR 11 0.162 10.926 -0.139 81 HB2 TYR 11 HB2 TYR 11 0.056 7.909 0.111 82 HB3 TYR 11 HB3 TYR 11 1.393 8.886 0.709 83 HD1 TYR 11 HD1 TYR 11 -2.258 8.329 1.071 84 HD2 TYR 11 HD2 TYR 11 1.280 9.908 2.817 85 HE1 TYR 11 HE1 TYR 11 -3.461 8.670 3.181 86 HE2 TYR 11 HE2 TYR 11 0.084 10.256 4.937 87 HH TYR 11 HH TYR 11 -2.986 8.907 5.558 88 H HIS 12 H HIS 12 1.730 8.112 -1.042 89 HA HIS 12 HA HIS 12 2.243 8.701 -3.805 90 HB2 HIS 12 HB2 HIS 12 4.613 8.959 -1.937 91 HB3 HIS 12 HB3 HIS 12 4.592 9.215 -3.670 92 HD1 HIS 12 HD1 HIS 12 3.417 11.477 -4.485 93 HD2 HIS 12 HD2 HIS 12 4.145 11.149 -0.405 94 HE1 HIS 12 HE1 HIS 12 3.226 13.812 -3.574 95 HE2 HIS 12 HE2 HIS 12 3.694 13.597 -1.108 96 H GLY 13 H GLY 13 2.056 6.583 -4.410 97 HA2 GLY 13 HA2 GLY 13 4.032 4.711 -3.964 98 HA3 GLY 13 HA3 GLY 13 2.852 4.449 -2.690 99 H TYR 14 H TYR 14 1.907 2.575 -3.274 100 HA TYR 14 HA TYR 14 0.122 2.539 -5.470 101 HB2 TYR 14 HB2 TYR 14 1.202 0.774 -6.818 102 HB3 TYR 14 HB3 TYR 14 2.103 2.277 -6.834 103 HD1 TYR 14 HD1 TYR 14 4.102 2.428 -5.154 104 HD2 TYR 14 HD2 TYR 14 2.282 -1.220 -6.367 105 HE1 TYR 14 HE1 TYR 14 6.131 1.203 -4.503 106 HE2 TYR 14 HE2 TYR 14 4.304 -2.449 -5.716 107 HH TYR 14 HH TYR 14 6.817 -1.020 -3.885 108 H CYS 15 H CYS 15 -0.653 0.235 -5.892 109 HA CYS 15 HA CYS 15 -1.079 -0.996 -3.253 110 HB2 CYS 15 HB2 CYS 15 -2.843 -0.974 -5.715 111 HB3 CYS 15 HB3 CYS 15 -3.237 -1.756 -4.189 112 H ILE 16 H ILE 16 -0.522 -3.085 -2.951 113 HA ILE 16 HA ILE 16 0.061 -4.698 -5.349 114 HB ILE 16 HB ILE 16 1.890 -5.768 -4.265 115 HG12 ILE 16 HG12 ILE 16 1.297 -4.117 -1.809 116 HG13 ILE 16 HG13 ILE 16 0.856 -5.806 -1.995 117 HG21 ILE 16 HG21 ILE 16 2.436 -3.648 -5.299 118 HG22 ILE 16 HG22 ILE 16 3.443 -3.917 -3.875 119 HG23 ILE 16 HG23 ILE 16 2.077 -2.803 -3.793 120 HD11 ILE 16 HD11 ILE 16 2.848 -5.628 -0.676 121 HD12 ILE 16 HD12 ILE 16 3.641 -4.675 -1.931 122 HD13 ILE 16 HD13 ILE 16 3.241 -6.366 -2.230 123 H ARG 17 H ARG 17 -0.371 -6.912 -5.184 124 HA ARG 17 HA ARG 17 -2.295 -7.671 -3.167 125 HB2 ARG 17 HB2 ARG 17 -1.952 -9.962 -4.518 126 HB3 ARG 17 HB3 ARG 17 -3.032 -8.690 -5.053 127 HG2 ARG 17 HG2 ARG 17 -1.774 -9.523 -6.920 128 HG3 ARG 17 HG3 ARG 17 -1.274 -7.873 -6.580 129 HD2 ARG 17 HD2 ARG 17 0.305 -9.962 -5.241 130 HD3 ARG 17 HD3 ARG 17 0.416 -9.955 -6.998 131 HE ARG 17 HE ARG 17 0.898 -7.399 -6.511 132 HH11 ARG 17 HH11 ARG 17 2.077 -10.210 -4.783 133 HH12 ARG 17 HH12 ARG 17 3.605 -9.488 -4.392 134 HH21 ARG 17 HH21 ARG 17 2.923 -6.448 -5.994 135 HH22 ARG 17 HH22 ARG 17 4.088 -7.355 -5.081 136 H SER 18 H SER 18 -0.959 -7.507 -1.380 137 HA SER 18 HA SER 18 0.082 -9.877 -0.368 138 HB2 SER 18 HB2 SER 18 1.963 -9.441 -1.959 139 HB3 SER 18 HB3 SER 18 2.226 -7.881 -1.183 140 HG SER 18 HG SER 18 2.751 -10.470 -0.234 141 H LYS 19 H LYS 19 1.248 -9.348 1.801 142 HA LYS 19 HA LYS 19 0.374 -6.701 2.752 143 HB2 LYS 19 HB2 LYS 19 0.485 -9.276 4.334 144 HB3 LYS 19 HB3 LYS 19 0.086 -7.696 4.996 145 HG2 LYS 19 HG2 LYS 19 -1.782 -7.674 3.216 146 HG3 LYS 19 HG3 LYS 19 -1.498 -9.413 3.129 147 HD2 LYS 19 HD2 LYS 19 -3.278 -9.033 4.677 148 HD3 LYS 19 HD3 LYS 19 -1.854 -9.516 5.599 149 HE2 LYS 19 HE2 LYS 19 -3.052 -7.646 6.653 150 HE3 LYS 19 HE3 LYS 19 -1.413 -7.204 6.187 151 HZ1 LYS 19 HZ1 LYS 19 -3.846 -6.542 4.680 152 HZ2 LYS 19 HZ2 LYS 19 -2.334 -6.119 4.254 153 HZ3 LYS 19 HZ3 LYS 19 -2.995 -5.507 5.606 154 H VAL 20 H VAL 20 2.949 -8.189 1.740 155 HA VAL 20 HA VAL 20 4.722 -6.967 3.758 156 HB VAL 20 HB VAL 20 5.415 -9.154 1.779 157 HG11 VAL 20 HG11 VAL 20 7.302 -7.680 2.283 158 HG12 VAL 20 HG12 VAL 20 7.542 -9.285 2.976 159 HG13 VAL 20 HG13 VAL 20 7.050 -7.943 4.008 160 HG21 VAL 20 HG21 VAL 20 5.022 -9.298 4.767 161 HG22 VAL 20 HG22 VAL 20 5.595 -10.613 3.742 162 HG23 VAL 20 HG23 VAL 20 3.958 -9.989 3.542 163 H CYS 21 H CYS 21 5.184 -4.982 3.044 164 HA CYS 21 HA CYS 21 5.221 -4.413 0.216 165 HB2 CYS 21 HB2 CYS 21 5.431 -2.718 2.687 166 HB3 CYS 21 HB3 CYS 21 5.720 -2.051 1.083 167 HA PRO 22 HA PRO 22 9.610 -4.857 -0.331 168 HB2 PRO 22 HB2 PRO 22 9.721 -3.374 -2.640 169 HB3 PRO 22 HB3 PRO 22 9.288 -5.085 -2.575 170 HG2 PRO 22 HG2 PRO 22 7.527 -2.687 -2.778 171 HG3 PRO 22 HG3 PRO 22 7.365 -4.273 -3.549 172 HD2 PRO 22 HD2 PRO 22 5.895 -3.557 -1.408 173 HD3 PRO 22 HD3 PRO 22 6.416 -5.231 -1.686 174 H LYS 23 H LYS 23 11.470 -3.504 -0.287 175 HA LYS 23 HA LYS 23 10.849 -0.962 0.999 176 HB2 LYS 23 HB2 LYS 23 13.368 -2.621 0.988 177 HB3 LYS 23 HB3 LYS 23 13.252 -1.034 1.737 178 HG2 LYS 23 HG2 LYS 23 12.968 -2.577 3.479 179 HG3 LYS 23 HG3 LYS 23 11.349 -1.979 3.117 180 HD2 LYS 23 HD2 LYS 23 10.967 -3.983 1.721 181 HD3 LYS 23 HD3 LYS 23 12.549 -4.591 2.207 182 HE2 LYS 23 HE2 LYS 23 10.898 -5.650 3.570 183 HE3 LYS 23 HE3 LYS 23 11.780 -4.502 4.574 184 HZ1 LYS 23 HZ1 LYS 23 9.959 -2.981 4.343 185 HZ2 LYS 23 HZ2 LYS 23 9.408 -4.391 4.930 186 HZ3 LYS 23 HZ3 LYS 23 9.148 -4.008 3.369 187 HA PRO 24 HA PRO 24 11.793 0.554 1.682 188 HB2 PRO 24 HB2 PRO 24 12.097 3.202 1.595 189 HB3 PRO 24 HB3 PRO 24 13.496 2.124 1.611 190 HG2 PRO 24 HG2 PRO 24 12.298 3.646 -0.650 191 HG3 PRO 24 HG3 PRO 24 13.997 3.260 -0.330 192 HD2 PRO 24 HD2 PRO 24 12.261 1.893 -2.079 193 HD3 PRO 24 HD3 PRO 24 13.858 1.352 -1.535 194 H PHE 25 H PHE 25 9.683 0.235 1.940 195 HA PHE 25 HA PHE 25 7.846 2.398 1.454 196 HB2 PHE 25 HB2 PHE 25 7.522 -0.275 0.103 197 HB3 PHE 25 HB3 PHE 25 6.133 0.711 0.507 198 HD1 PHE 25 HD1 PHE 25 8.913 0.259 -1.793 199 HD2 PHE 25 HD2 PHE 25 5.807 2.881 -0.555 200 HE1 PHE 25 HE1 PHE 25 9.127 1.508 -3.904 201 HE2 PHE 25 HE2 PHE 25 6.000 4.138 -2.650 202 HZ PHE 25 HZ PHE 25 7.673 3.453 -4.338 203 H ALA 26 H ALA 26 5.976 2.195 2.740 204 HA ALA 26 HA ALA 26 6.280 0.243 4.925 205 HB1 ALA 26 HB1 ALA 26 6.443 2.592 5.611 206 HB2 ALA 26 HB2 ALA 26 5.019 1.818 6.304 207 HB3 ALA 26 HB3 ALA 26 4.848 2.901 4.923 208 H ALA 27 H ALA 27 4.535 -0.985 5.574 209 HA ALA 27 HA ALA 27 2.462 -1.421 3.653 210 HB1 ALA 27 HB1 ALA 27 2.807 -2.510 6.447 211 HB2 ALA 27 HB2 ALA 27 3.345 -3.275 4.952 212 HB3 ALA 27 HB3 ALA 27 1.623 -3.074 5.270 213 H PHE 28 H PHE 28 1.346 0.472 3.472 214 HA PHE 28 HA PHE 28 0.326 1.851 5.792 215 HB2 PHE 28 HB2 PHE 28 1.157 3.069 3.808 216 HB3 PHE 28 HB3 PHE 28 -0.112 2.350 2.832 217 HD1 PHE 28 HD1 PHE 28 -2.547 2.875 3.530 218 HD2 PHE 28 HD2 PHE 28 0.834 5.096 4.853 219 HE1 PHE 28 HE1 PHE 28 -4.010 4.777 4.058 220 HE2 PHE 28 HE2 PHE 28 -0.627 6.996 5.394 221 HZ PHE 28 HZ PHE 28 -3.052 6.838 4.993 222 H GLY 29 H GLY 29 -1.102 0.432 6.755 223 HA2 GLY 29 HA2 GLY 29 -3.131 -0.526 7.176 224 HA3 GLY 29 HA3 GLY 29 -3.758 0.806 6.221 225 H THR 30 H THR 30 -4.721 0.384 4.378 226 HA THR 30 HA THR 30 -4.217 -2.122 2.981 227 HB THR 30 HB THR 30 -6.743 -2.398 2.725 228 HG1 THR 30 HG1 THR 30 -7.830 -0.834 3.677 229 HG21 THR 30 HG21 THR 30 -6.912 -3.647 4.848 230 HG22 THR 30 HG22 THR 30 -5.438 -2.852 5.410 231 HG23 THR 30 HG23 THR 30 -5.381 -3.935 4.018 232 H CYS 31 H CYS 31 -4.982 -2.150 0.875 233 HA CYS 31 HA CYS 31 -5.500 0.471 -0.347 234 HB2 CYS 31 HB2 CYS 31 -3.824 -1.801 -1.101 235 HB3 CYS 31 HB3 CYS 31 -4.877 -1.263 -2.400 236 H SER 32 H SER 32 -6.426 -0.560 -2.804 237 HA SER 32 HA SER 32 -9.013 -0.957 -2.832 238 HB2 SER 32 HB2 SER 32 -7.228 -2.894 -4.266 239 HB3 SER 32 HB3 SER 32 -8.754 -2.217 -4.820 240 HG SER 32 HG SER 32 -6.735 -1.277 -5.702 241 H TRP 33 H TRP 33 -10.205 -1.945 -1.338 242 HA TRP 33 HA TRP 33 -11.068 -3.441 0.109 243 HB2 TRP 33 HB2 TRP 33 -9.933 -5.511 -1.779 244 HB3 TRP 33 HB3 TRP 33 -11.268 -5.729 -0.650 245 HD1 TRP 33 HD1 TRP 33 -10.854 -5.354 -4.158 246 HE1 TRP 33 HE1 TRP 33 -12.875 -4.223 -5.292 247 HE3 TRP 33 HE3 TRP 33 -13.118 -3.362 -0.023 248 HZ2 TRP 33 HZ2 TRP 33 -15.120 -2.693 -4.533 249 HZ3 TRP 33 HZ3 TRP 33 -15.184 -2.066 -0.317 250 HH2 TRP 33 HH2 TRP 33 -16.164 -1.747 -2.534 251 H ARG 34 H ARG 34 -10.554 -5.339 1.600 252 HA ARG 34 HA ARG 34 -8.028 -4.771 2.839 253 HB2 ARG 34 HB2 ARG 34 -8.739 -6.331 4.579 254 HB3 ARG 34 HB3 ARG 34 -10.021 -5.193 4.192 255 HG2 ARG 34 HG2 ARG 34 -11.111 -6.917 2.822 256 HG3 ARG 34 HG3 ARG 34 -9.841 -8.056 3.273 257 HD2 ARG 34 HD2 ARG 34 -11.769 -6.686 5.144 258 HD3 ARG 34 HD3 ARG 34 -11.808 -8.382 4.664 259 HE ARG 34 HE ARG 34 -9.376 -8.225 5.721 260 HH11 ARG 34 HH11 ARG 34 -12.456 -7.065 6.905 261 HH12 ARG 34 HH12 ARG 34 -11.990 -7.134 8.573 262 HH21 ARG 34 HH21 ARG 34 -8.758 -8.335 7.914 263 HH22 ARG 34 HH22 ARG 34 -9.886 -7.880 9.151 264 H GLN 35 H GLN 35 -8.029 -5.996 0.193 265 HA GLN 35 HA GLN 35 -6.797 -8.611 0.679 266 HB2 GLN 35 HB2 GLN 35 -7.634 -7.379 -1.950 267 HB3 GLN 35 HB3 GLN 35 -7.218 -9.061 -1.644 268 HG2 GLN 35 HG2 GLN 35 -9.555 -7.677 -0.365 269 HG3 GLN 35 HG3 GLN 35 -9.660 -8.567 -1.876 270 HE21 GLN 35 HE21 GLN 35 -9.160 -8.790 1.549 271 HE22 GLN 35 HE22 GLN 35 -9.424 -10.490 1.685 272 H LYS 36 H LYS 36 -6.316 -5.465 -0.870 273 HA LYS 36 HA LYS 36 -3.510 -6.186 -1.373 274 HB2 LYS 36 HB2 LYS 36 -4.813 -3.687 -2.431 275 HB3 LYS 36 HB3 LYS 36 -3.424 -4.550 -3.057 276 HG2 LYS 36 HG2 LYS 36 -4.984 -6.411 -3.682 277 HG3 LYS 36 HG3 LYS 36 -6.319 -5.336 -3.253 278 HD2 LYS 36 HD2 LYS 36 -5.955 -5.244 -5.635 279 HD3 LYS 36 HD3 LYS 36 -5.493 -3.704 -4.913 280 HE2 LYS 36 HE2 LYS 36 -3.161 -4.274 -5.056 281 HE3 LYS 36 HE3 LYS 36 -3.548 -5.907 -5.600 282 HZ1 LYS 36 HZ1 LYS 36 -4.454 -4.967 -7.594 283 HZ2 LYS 36 HZ2 LYS 36 -2.925 -4.448 -7.413 284 HZ3 LYS 36 HZ3 LYS 36 -4.164 -3.448 -7.088 285 H THR 37 H THR 37 -1.877 -5.024 -0.412 286 HA THR 37 HA THR 37 -2.714 -3.129 1.667 287 HB THR 37 HB THR 37 -0.019 -4.469 1.302 288 HG1 THR 37 HG1 THR 37 -1.313 -6.109 1.886 289 HG21 THR 37 HG21 THR 37 -1.193 -3.008 3.673 290 HG22 THR 37 HG22 THR 37 0.055 -2.377 2.597 291 HG23 THR 37 HG23 THR 37 0.390 -3.783 3.607 292 H CYS 38 H CYS 38 -1.764 -1.063 1.803 293 HA CYS 38 HA CYS 38 -0.873 0.008 -0.732 294 HB2 CYS 38 HB2 CYS 38 -2.456 1.346 0.471 295 HB3 CYS 38 HB3 CYS 38 -1.482 1.281 1.938 296 H CYS 39 H CYS 39 1.149 0.626 -1.235 297 HA CYS 39 HA CYS 39 3.183 0.392 0.880 298 HB2 CYS 39 HB2 CYS 39 3.510 -0.144 -2.080 299 HB3 CYS 39 HB3 CYS 39 4.778 -0.276 -0.861 300 H VAL 40 H VAL 40 3.736 2.350 1.488 301 HA VAL 40 HA VAL 40 4.425 4.328 -0.567 302 HB VAL 40 HB VAL 40 3.529 6.113 1.032 303 HG11 VAL 40 HG11 VAL 40 2.469 5.501 -1.104 304 HG12 VAL 40 HG12 VAL 40 1.285 5.972 0.122 305 HG13 VAL 40 HG13 VAL 40 1.528 4.266 -0.265 306 HG21 VAL 40 HG21 VAL 40 3.237 4.639 2.972 307 HG22 VAL 40 HG22 VAL 40 1.995 3.750 2.088 308 HG23 VAL 40 HG23 VAL 40 1.732 5.441 2.517 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 -13.495 3.378 -8.289 2 H2 LEU 1 H2 LEU 1 -12.375 4.507 -8.617 3 H3 LEU 1 H3 LEU 1 -13.197 4.563 -7.216 4 HA LEU 1 HA LEU 1 -11.335 2.453 -7.999 5 HB2 LEU 1 HB2 LEU 1 -11.078 4.718 -6.018 6 HB3 LEU 1 HB3 LEU 1 -9.987 3.349 -6.075 7 HG LEU 1 HG LEU 1 -10.377 5.414 -8.240 8 HD11 LEU 1 HD11 LEU 1 -8.054 5.996 -7.740 9 HD12 LEU 1 HD12 LEU 1 -8.043 4.815 -6.432 10 HD13 LEU 1 HD13 LEU 1 -9.099 6.224 -6.337 11 HD21 LEU 1 HD21 LEU 1 -9.961 3.263 -9.257 12 HD22 LEU 1 HD22 LEU 1 -8.604 2.978 -8.167 13 HD23 LEU 1 HD23 LEU 1 -8.513 4.261 -9.372 14 HA PRO 2 HA PRO 2 -12.954 -0.508 -5.188 15 HB2 PRO 2 HB2 PRO 2 -10.346 -0.098 -3.783 16 HB3 PRO 2 HB3 PRO 2 -11.186 -1.601 -4.145 17 HG2 PRO 2 HG2 PRO 2 -9.165 -0.806 -5.650 18 HG3 PRO 2 HG3 PRO 2 -10.607 -1.528 -6.399 19 HD2 PRO 2 HD2 PRO 2 -9.696 1.294 -6.381 20 HD3 PRO 2 HD3 PRO 2 -10.699 0.438 -7.567 21 H ARG 3 H ARG 3 -10.826 1.209 -2.943 22 HA ARG 3 HA ARG 3 -12.958 2.477 -1.523 23 HB2 ARG 3 HB2 ARG 3 -13.380 0.197 -0.798 24 HB3 ARG 3 HB3 ARG 3 -11.707 -0.015 -0.338 25 HG2 ARG 3 HG2 ARG 3 -12.186 1.982 1.258 26 HG3 ARG 3 HG3 ARG 3 -13.869 1.493 1.020 27 HD2 ARG 3 HD2 ARG 3 -12.905 -0.899 1.495 28 HD3 ARG 3 HD3 ARG 3 -11.618 0.007 2.289 29 HE ARG 3 HE ARG 3 -14.457 0.202 2.994 30 HH11 ARG 3 HH11 ARG 3 -11.073 0.376 3.876 31 HH12 ARG 3 HH12 ARG 3 -11.398 0.444 5.584 32 HH21 ARG 3 HH21 ARG 3 -14.881 0.312 5.252 33 HH22 ARG 3 HH22 ARG 3 -13.551 0.407 6.363 34 H ASP 4 H ASP 4 -9.976 0.970 -0.304 35 HA ASP 4 HA ASP 4 -9.120 3.524 0.758 36 HB2 ASP 4 HB2 ASP 4 -8.204 0.689 1.073 37 HB3 ASP 4 HB3 ASP 4 -7.122 2.000 1.525 38 H THR 5 H THR 5 -8.798 2.013 -2.168 39 HA THR 5 HA THR 5 -6.147 2.410 -2.902 40 HB THR 5 HB THR 5 -8.512 2.912 -4.704 41 HG1 THR 5 HG1 THR 5 -7.475 0.373 -4.711 42 HG21 THR 5 HG21 THR 5 -5.762 1.786 -5.246 43 HG22 THR 5 HG22 THR 5 -6.287 3.428 -5.625 44 HG23 THR 5 HG23 THR 5 -7.034 2.052 -6.439 45 H SER 6 H SER 6 -8.900 4.659 -3.185 46 HA SER 6 HA SER 6 -7.488 6.795 -4.330 47 HB2 SER 6 HB2 SER 6 -9.856 7.107 -2.477 48 HB3 SER 6 HB3 SER 6 -9.427 8.092 -3.877 49 HG SER 6 HG SER 6 -10.998 6.771 -4.605 50 H ARG 7 H ARG 7 -7.943 5.764 -1.045 51 HA ARG 7 HA ARG 7 -6.899 8.026 0.281 52 HB2 ARG 7 HB2 ARG 7 -8.245 6.386 1.438 53 HB3 ARG 7 HB3 ARG 7 -7.099 5.113 1.057 54 HG2 ARG 7 HG2 ARG 7 -5.445 6.147 2.503 55 HG3 ARG 7 HG3 ARG 7 -6.567 7.459 2.864 56 HD2 ARG 7 HD2 ARG 7 -8.148 5.830 3.799 57 HD3 ARG 7 HD3 ARG 7 -7.004 4.534 3.459 58 HE ARG 7 HE ARG 7 -5.806 6.539 5.056 59 HH11 ARG 7 HH11 ARG 7 -8.043 3.854 5.191 60 HH12 ARG 7 HH12 ARG 7 -7.782 3.562 6.883 61 HH21 ARG 7 HH21 ARG 7 -5.454 6.153 7.279 62 HH22 ARG 7 HH22 ARG 7 -6.310 4.867 8.068 63 H CYS 8 H CYS 8 -5.444 4.935 -0.693 64 HA CYS 8 HA CYS 8 -2.860 5.458 0.269 65 HB2 CYS 8 HB2 CYS 8 -3.565 3.218 -0.248 66 HB3 CYS 8 HB3 CYS 8 -3.836 3.643 -1.935 67 H VAL 9 H VAL 9 -4.318 6.029 -2.916 68 HA VAL 9 HA VAL 9 -1.814 6.930 -4.038 69 HB VAL 9 HB VAL 9 -3.589 5.807 -5.401 70 HG11 VAL 9 HG11 VAL 9 -5.544 6.833 -4.406 71 HG12 VAL 9 HG12 VAL 9 -5.527 7.057 -6.154 72 HG13 VAL 9 HG13 VAL 9 -5.087 8.394 -5.089 73 HG21 VAL 9 HG21 VAL 9 -1.873 7.088 -6.518 74 HG22 VAL 9 HG22 VAL 9 -2.803 8.571 -6.300 75 HG23 VAL 9 HG23 VAL 9 -3.412 7.295 -7.355 76 H GLY 10 H GLY 10 -4.274 8.319 -2.161 77 HA2 GLY 10 HA2 GLY 10 -3.964 11.042 -2.850 78 HA3 GLY 10 HA3 GLY 10 -4.468 10.431 -1.277 79 H TYR 11 H TYR 11 -1.986 8.782 -1.153 80 HA TYR 11 HA TYR 11 -0.152 10.852 -0.246 81 HB2 TYR 11 HB2 TYR 11 -0.140 7.842 0.074 82 HB3 TYR 11 HB3 TYR 11 1.153 8.886 0.657 83 HD1 TYR 11 HD1 TYR 11 -2.443 8.089 1.058 84 HD2 TYR 11 HD2 TYR 11 0.954 10.062 2.686 85 HE1 TYR 11 HE1 TYR 11 -3.661 8.444 3.157 86 HE2 TYR 11 HE2 TYR 11 -0.257 10.422 4.792 87 HH TYR 11 HH TYR 11 -3.208 8.860 5.505 88 H HIS 12 H HIS 12 1.596 8.128 -1.052 89 HA HIS 12 HA HIS 12 2.176 8.782 -3.793 90 HB2 HIS 12 HB2 HIS 12 4.341 9.266 -1.722 91 HB3 HIS 12 HB3 HIS 12 4.539 9.360 -3.463 92 HD1 HIS 12 HD1 HIS 12 3.713 11.518 -4.633 93 HD2 HIS 12 HD2 HIS 12 3.160 11.468 -0.513 94 HE1 HIS 12 HE1 HIS 12 3.165 13.889 -3.997 95 HE2 HIS 12 HE2 HIS 12 2.765 13.826 -1.511 96 H GLY 13 H GLY 13 2.136 6.697 -4.447 97 HA2 GLY 13 HA2 GLY 13 4.199 4.954 -4.199 98 HA3 GLY 13 HA3 GLY 13 3.198 4.584 -2.801 99 H TYR 14 H TYR 14 2.308 2.658 -3.318 100 HA TYR 14 HA TYR 14 0.336 2.608 -5.372 101 HB2 TYR 14 HB2 TYR 14 1.287 0.844 -6.766 102 HB3 TYR 14 HB3 TYR 14 2.258 2.301 -6.821 103 HD1 TYR 14 HD1 TYR 14 4.341 2.330 -5.213 104 HD2 TYR 14 HD2 TYR 14 2.297 -1.200 -6.424 105 HE1 TYR 14 HE1 TYR 14 6.343 0.998 -4.700 106 HE2 TYR 14 HE2 TYR 14 4.291 -2.535 -5.911 107 HH TYR 14 HH TYR 14 6.667 -2.273 -5.674 108 H CYS 15 H CYS 15 -0.511 0.339 -5.686 109 HA CYS 15 HA CYS 15 -0.771 -0.836 -3.002 110 HB2 CYS 15 HB2 CYS 15 -2.718 -0.806 -5.317 111 HB3 CYS 15 HB3 CYS 15 -3.014 -1.540 -3.746 112 H ILE 16 H ILE 16 -0.322 -2.960 -2.705 113 HA ILE 16 HA ILE 16 0.069 -4.593 -5.126 114 HB ILE 16 HB ILE 16 1.932 -5.703 -4.192 115 HG12 ILE 16 HG12 ILE 16 1.397 -4.213 -1.625 116 HG13 ILE 16 HG13 ILE 16 1.076 -5.917 -1.899 117 HG21 ILE 16 HG21 ILE 16 2.488 -3.538 -5.124 118 HG22 ILE 16 HG22 ILE 16 3.545 -3.910 -3.765 119 HG23 ILE 16 HG23 ILE 16 2.214 -2.774 -3.560 120 HD11 ILE 16 HD11 ILE 16 3.100 -5.659 -0.633 121 HD12 ILE 16 HD12 ILE 16 3.773 -4.586 -1.861 122 HD13 ILE 16 HD13 ILE 16 3.486 -6.286 -2.236 123 H ARG 17 H ARG 17 -0.560 -6.750 -4.995 124 HA ARG 17 HA ARG 17 -2.259 -7.459 -2.753 125 HB2 ARG 17 HB2 ARG 17 -2.225 -9.692 -4.302 126 HB3 ARG 17 HB3 ARG 17 -3.362 -8.373 -4.496 127 HG2 ARG 17 HG2 ARG 17 -2.479 -9.043 -6.640 128 HG3 ARG 17 HG3 ARG 17 -1.940 -7.414 -6.252 129 HD2 ARG 17 HD2 ARG 17 -0.097 -9.512 -5.381 130 HD3 ARG 17 HD3 ARG 17 -0.340 -9.460 -7.125 131 HE ARG 17 HE ARG 17 0.158 -6.900 -6.653 132 HH11 ARG 17 HH11 ARG 17 1.750 -9.715 -5.306 133 HH12 ARG 17 HH12 ARG 17 3.308 -8.953 -5.229 134 HH21 ARG 17 HH21 ARG 17 2.219 -5.901 -6.571 135 HH22 ARG 17 HH22 ARG 17 3.574 -6.790 -5.948 136 H SER 18 H SER 18 -0.662 -7.501 -1.193 137 HA SER 18 HA SER 18 0.446 -9.993 -0.535 138 HB2 SER 18 HB2 SER 18 2.410 -7.903 -1.545 139 HB3 SER 18 HB3 SER 18 2.881 -9.258 -0.525 140 HG SER 18 HG SER 18 1.421 -9.933 -2.772 141 H LYS 19 H LYS 19 1.327 -9.885 1.649 142 HA LYS 19 HA LYS 19 0.370 -7.498 3.025 143 HB2 LYS 19 HB2 LYS 19 1.276 -10.140 4.172 144 HB3 LYS 19 HB3 LYS 19 0.477 -8.843 5.051 145 HG2 LYS 19 HG2 LYS 19 -0.689 -10.544 2.862 146 HG3 LYS 19 HG3 LYS 19 -1.123 -10.551 4.567 147 HD2 LYS 19 HD2 LYS 19 -1.523 -8.259 2.643 148 HD3 LYS 19 HD3 LYS 19 -2.780 -9.348 3.228 149 HE2 LYS 19 HE2 LYS 19 -2.524 -8.536 5.470 150 HE3 LYS 19 HE3 LYS 19 -1.111 -7.586 5.016 151 HZ1 LYS 19 HZ1 LYS 19 -3.841 -7.130 4.038 152 HZ2 LYS 19 HZ2 LYS 19 -2.535 -6.247 3.634 153 HZ3 LYS 19 HZ3 LYS 19 -3.080 -6.232 5.166 154 H VAL 20 H VAL 20 3.271 -8.746 1.897 155 HA VAL 20 HA VAL 20 4.803 -7.138 3.830 156 HB VAL 20 HB VAL 20 5.835 -9.263 1.937 157 HG11 VAL 20 HG11 VAL 20 7.929 -9.058 3.191 158 HG12 VAL 20 HG12 VAL 20 7.234 -7.743 4.137 159 HG13 VAL 20 HG13 VAL 20 7.494 -7.541 2.404 160 HG21 VAL 20 HG21 VAL 20 5.391 -9.361 4.920 161 HG22 VAL 20 HG22 VAL 20 6.188 -10.610 3.961 162 HG23 VAL 20 HG23 VAL 20 4.482 -10.249 3.696 163 H CYS 21 H CYS 21 5.430 -5.198 3.133 164 HA CYS 21 HA CYS 21 5.286 -4.580 0.306 165 HB2 CYS 21 HB2 CYS 21 5.628 -2.925 2.796 166 HB3 CYS 21 HB3 CYS 21 5.874 -2.231 1.195 167 HA PRO 22 HA PRO 22 9.675 -4.903 -0.394 168 HB2 PRO 22 HB2 PRO 22 9.749 -3.396 -2.661 169 HB3 PRO 22 HB3 PRO 22 9.236 -5.086 -2.632 170 HG2 PRO 22 HG2 PRO 22 7.591 -2.599 -2.721 171 HG3 PRO 22 HG3 PRO 22 7.333 -4.153 -3.532 172 HD2 PRO 22 HD2 PRO 22 5.979 -3.397 -1.298 173 HD3 PRO 22 HD3 PRO 22 6.332 -5.091 -1.695 174 H LYS 23 H LYS 23 11.529 -3.536 -0.351 175 HA LYS 23 HA LYS 23 11.027 -0.982 0.911 176 HB2 LYS 23 HB2 LYS 23 13.606 -2.461 0.370 177 HB3 LYS 23 HB3 LYS 23 13.501 -0.922 1.213 178 HG2 LYS 23 HG2 LYS 23 12.418 -3.582 2.099 179 HG3 LYS 23 HG3 LYS 23 13.693 -2.622 2.853 180 HD2 LYS 23 HD2 LYS 23 11.969 -0.827 3.231 181 HD3 LYS 23 HD3 LYS 23 10.752 -1.991 2.702 182 HE2 LYS 23 HE2 LYS 23 12.633 -2.352 5.034 183 HE3 LYS 23 HE3 LYS 23 10.938 -1.886 5.151 184 HZ1 LYS 23 HZ1 LYS 23 11.938 -4.424 4.078 185 HZ2 LYS 23 HZ2 LYS 23 10.374 -4.000 4.159 186 HZ3 LYS 23 HZ3 LYS 23 11.222 -4.221 5.525 187 HA PRO 24 HA PRO 24 11.881 0.635 1.361 188 HB2 PRO 24 HB2 PRO 24 12.118 3.323 1.059 189 HB3 PRO 24 HB3 PRO 24 13.509 2.236 1.100 190 HG2 PRO 24 HG2 PRO 24 12.465 3.769 -1.126 191 HG3 PRO 24 HG3 PRO 24 13.973 2.850 -1.026 192 HD2 PRO 24 HD2 PRO 24 11.378 2.077 -2.184 193 HD3 PRO 24 HD3 PRO 24 12.976 1.375 -2.472 194 H PHE 25 H PHE 25 9.793 0.306 1.865 195 HA PHE 25 HA PHE 25 7.866 2.400 1.418 196 HB2 PHE 25 HB2 PHE 25 7.551 -0.342 0.193 197 HB3 PHE 25 HB3 PHE 25 6.163 0.663 0.579 198 HD1 PHE 25 HD1 PHE 25 9.090 0.300 -1.649 199 HD2 PHE 25 HD2 PHE 25 5.641 2.609 -0.683 200 HE1 PHE 25 HE1 PHE 25 9.274 1.474 -3.800 201 HE2 PHE 25 HE2 PHE 25 5.812 3.790 -2.823 202 HZ PHE 25 HZ PHE 25 7.638 3.223 -4.394 203 H ALA 26 H ALA 26 5.967 2.121 2.711 204 HA ALA 26 HA ALA 26 6.367 0.235 4.943 205 HB1 ALA 26 HB1 ALA 26 4.975 2.919 4.946 206 HB2 ALA 26 HB2 ALA 26 6.568 2.577 5.625 207 HB3 ALA 26 HB3 ALA 26 5.130 1.839 6.332 208 H ALA 27 H ALA 27 4.669 -1.042 5.571 209 HA ALA 27 HA ALA 27 2.523 -1.457 3.750 210 HB1 ALA 27 HB1 ALA 27 1.719 -3.096 5.380 211 HB2 ALA 27 HB2 ALA 27 2.885 -2.502 6.560 212 HB3 ALA 27 HB3 ALA 27 3.446 -3.287 5.085 213 H PHE 28 H PHE 28 1.429 0.434 3.557 214 HA PHE 28 HA PHE 28 0.410 1.848 5.857 215 HB2 PHE 28 HB2 PHE 28 1.224 3.037 3.841 216 HB3 PHE 28 HB3 PHE 28 -0.046 2.288 2.890 217 HD1 PHE 28 HD1 PHE 28 0.891 5.086 4.824 218 HD2 PHE 28 HD2 PHE 28 -2.486 2.793 3.622 219 HE1 PHE 28 HE1 PHE 28 -0.580 6.978 5.347 220 HE2 PHE 28 HE2 PHE 28 -3.962 4.686 4.140 221 HZ PHE 28 HZ PHE 28 -3.011 6.783 5.000 222 H GLY 29 H GLY 29 -0.985 0.385 6.828 223 HA2 GLY 29 HA2 GLY 29 -2.975 -0.650 7.246 224 HA3 GLY 29 HA3 GLY 29 -3.640 0.702 6.349 225 H THR 30 H THR 30 -4.562 0.358 4.447 226 HA THR 30 HA THR 30 -4.197 -2.180 3.061 227 HB THR 30 HB THR 30 -6.767 -2.342 2.936 228 HG1 THR 30 HG1 THR 30 -6.359 -0.658 5.201 229 HG21 THR 30 HG21 THR 30 -5.272 -2.975 5.485 230 HG22 THR 30 HG22 THR 30 -5.343 -3.984 4.037 231 HG23 THR 30 HG23 THR 30 -6.804 -3.702 4.990 232 H CYS 31 H CYS 31 -4.921 -2.201 1.004 233 HA CYS 31 HA CYS 31 -5.790 0.335 -0.187 234 HB2 CYS 31 HB2 CYS 31 -4.027 -1.862 -1.141 235 HB3 CYS 31 HB3 CYS 31 -5.060 -1.079 -2.333 236 H SER 32 H SER 32 -6.694 -0.932 -2.589 237 HA SER 32 HA SER 32 -9.239 -1.016 -2.573 238 HB2 SER 32 HB2 SER 32 -7.930 -3.482 -3.646 239 HB3 SER 32 HB3 SER 32 -9.240 -2.537 -4.344 240 HG SER 32 HG SER 32 -7.281 -2.118 -5.417 241 H TRP 33 H TRP 33 -10.607 -1.498 -1.036 242 HA TRP 33 HA TRP 33 -11.887 -2.602 0.449 243 HB2 TRP 33 HB2 TRP 33 -10.876 -5.159 -0.796 244 HB3 TRP 33 HB3 TRP 33 -12.419 -4.884 0.012 245 HD1 TRP 33 HD1 TRP 33 -10.978 -5.077 -3.361 246 HE1 TRP 33 HE1 TRP 33 -12.588 -4.073 -5.109 247 HE3 TRP 33 HE3 TRP 33 -14.175 -2.626 -0.210 248 HZ2 TRP 33 HZ2 TRP 33 -14.896 -2.435 -5.137 249 HZ3 TRP 33 HZ3 TRP 33 -16.036 -1.349 -1.175 250 HH2 TRP 33 HH2 TRP 33 -16.390 -1.262 -3.593 251 H ARG 34 H ARG 34 -10.484 -5.554 0.935 252 HA ARG 34 HA ARG 34 -8.337 -4.524 2.655 253 HB2 ARG 34 HB2 ARG 34 -8.806 -6.294 4.313 254 HB3 ARG 34 HB3 ARG 34 -10.133 -5.154 4.163 255 HG2 ARG 34 HG2 ARG 34 -11.386 -6.736 2.837 256 HG3 ARG 34 HG3 ARG 34 -10.032 -7.867 2.867 257 HD2 ARG 34 HD2 ARG 34 -11.553 -6.887 5.280 258 HD3 ARG 34 HD3 ARG 34 -11.780 -8.450 4.498 259 HE ARG 34 HE ARG 34 -9.070 -8.122 5.214 260 HH11 ARG 34 HH11 ARG 34 -12.205 -8.701 6.647 261 HH12 ARG 34 HH12 ARG 34 -11.566 -9.561 8.011 262 HH21 ARG 34 HH21 ARG 34 -8.216 -9.256 7.008 263 HH22 ARG 34 HH22 ARG 34 -9.297 -9.881 8.216 264 H GLN 35 H GLN 35 -8.417 -5.500 -0.045 265 HA GLN 35 HA GLN 35 -7.410 -8.239 0.062 266 HB2 GLN 35 HB2 GLN 35 -8.082 -6.444 -2.276 267 HB3 GLN 35 HB3 GLN 35 -7.600 -8.132 -2.396 268 HG2 GLN 35 HG2 GLN 35 -9.997 -7.270 -0.825 269 HG3 GLN 35 HG3 GLN 35 -10.073 -7.600 -2.550 270 HE21 GLN 35 HE21 GLN 35 -9.699 -8.954 0.612 271 HE22 GLN 35 HE22 GLN 35 -9.846 -10.614 0.148 272 H LYS 36 H LYS 36 -6.452 -5.009 -0.966 273 HA LYS 36 HA LYS 36 -3.748 -6.035 -1.495 274 HB2 LYS 36 HB2 LYS 36 -4.858 -3.367 -2.371 275 HB3 LYS 36 HB3 LYS 36 -3.405 -4.164 -2.944 276 HG2 LYS 36 HG2 LYS 36 -4.824 -5.929 -3.952 277 HG3 LYS 36 HG3 LYS 36 -6.258 -5.016 -3.461 278 HD2 LYS 36 HD2 LYS 36 -5.778 -4.531 -5.771 279 HD3 LYS 36 HD3 LYS 36 -5.426 -3.098 -4.807 280 HE2 LYS 36 HE2 LYS 36 -3.042 -3.657 -4.851 281 HE3 LYS 36 HE3 LYS 36 -3.395 -5.095 -5.805 282 HZ1 LYS 36 HZ1 LYS 36 -3.896 -2.333 -6.662 283 HZ2 LYS 36 HZ2 LYS 36 -4.203 -3.658 -7.545 284 HZ3 LYS 36 HZ3 LYS 36 -2.669 -3.268 -7.179 285 H THR 37 H THR 37 -1.962 -4.917 -0.616 286 HA THR 37 HA THR 37 -2.603 -3.242 1.712 287 HB THR 37 HB THR 37 0.055 -4.508 0.986 288 HG1 THR 37 HG1 THR 37 -0.743 -6.295 1.752 289 HG21 THR 37 HG21 THR 37 -0.966 -3.328 3.578 290 HG22 THR 37 HG22 THR 37 0.243 -2.608 2.516 291 HG23 THR 37 HG23 THR 37 0.594 -4.118 3.356 292 H CYS 38 H CYS 38 -1.708 -1.155 1.893 293 HA CYS 38 HA CYS 38 -0.878 0.023 -0.624 294 HB2 CYS 38 HB2 CYS 38 -2.492 1.275 0.657 295 HB3 CYS 38 HB3 CYS 38 -1.461 1.229 2.084 296 H CYS 39 H CYS 39 1.141 0.586 -1.133 297 HA CYS 39 HA CYS 39 3.163 0.432 0.998 298 HB2 CYS 39 HB2 CYS 39 3.501 -0.225 -1.937 299 HB3 CYS 39 HB3 CYS 39 4.779 -0.270 -0.721 300 H VAL 40 H VAL 40 3.697 2.405 1.535 301 HA VAL 40 HA VAL 40 4.389 4.306 -0.582 302 HB VAL 40 HB VAL 40 3.484 6.149 0.937 303 HG11 VAL 40 HG11 VAL 40 1.275 6.017 0.011 304 HG12 VAL 40 HG12 VAL 40 1.431 4.274 -0.222 305 HG13 VAL 40 HG13 VAL 40 2.420 5.382 -1.178 306 HG21 VAL 40 HG21 VAL 40 1.952 3.839 2.096 307 HG22 VAL 40 HG22 VAL 40 1.703 5.550 2.458 308 HG23 VAL 40 HG23 VAL 40 3.205 4.756 2.934 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 -12.907 4.884 -7.629 2 H2 LEU 1 H2 LEU 1 -13.257 4.951 -6.045 3 H3 LEU 1 H3 LEU 1 -14.073 3.931 -7.010 4 HA LEU 1 HA LEU 1 -12.141 2.626 -7.415 5 HB2 LEU 1 HB2 LEU 1 -10.874 4.663 -5.576 6 HB3 LEU 1 HB3 LEU 1 -10.118 3.148 -6.018 7 HG LEU 1 HG LEU 1 -10.858 5.344 -7.953 8 HD11 LEU 1 HD11 LEU 1 -8.163 4.507 -6.895 9 HD12 LEU 1 HD12 LEU 1 -9.022 5.987 -6.473 10 HD13 LEU 1 HD13 LEU 1 -8.462 5.733 -8.125 11 HD21 LEU 1 HD21 LEU 1 -9.502 4.039 -9.545 12 HD22 LEU 1 HD22 LEU 1 -10.943 3.175 -9.012 13 HD23 LEU 1 HD23 LEU 1 -9.366 2.754 -8.343 14 HA PRO 2 HA PRO 2 -13.194 -0.428 -4.480 15 HB2 PRO 2 HB2 PRO 2 -10.459 0.077 -3.377 16 HB3 PRO 2 HB3 PRO 2 -11.293 -1.458 -3.614 17 HG2 PRO 2 HG2 PRO 2 -9.497 -0.464 -5.386 18 HG3 PRO 2 HG3 PRO 2 -10.861 -1.495 -5.865 19 HD2 PRO 2 HD2 PRO 2 -10.404 1.293 -6.485 20 HD3 PRO 2 HD3 PRO 2 -11.704 0.234 -7.057 21 H ARG 3 H ARG 3 -10.934 1.225 -2.314 22 HA ARG 3 HA ARG 3 -12.987 2.465 -0.767 23 HB2 ARG 3 HB2 ARG 3 -12.789 1.071 1.243 24 HB3 ARG 3 HB3 ARG 3 -13.420 0.171 -0.118 25 HG2 ARG 3 HG2 ARG 3 -11.458 -1.053 -0.388 26 HG3 ARG 3 HG3 ARG 3 -10.516 0.075 0.590 27 HD2 ARG 3 HD2 ARG 3 -12.781 -1.582 1.682 28 HD3 ARG 3 HD3 ARG 3 -11.097 -2.102 1.713 29 HE ARG 3 HE ARG 3 -10.681 0.004 3.021 30 HH11 ARG 3 HH11 ARG 3 -13.825 -1.566 3.071 31 HH12 ARG 3 HH12 ARG 3 -14.235 -0.965 4.643 32 HH21 ARG 3 HH21 ARG 3 -11.231 0.785 5.091 33 HH22 ARG 3 HH22 ARG 3 -12.770 0.383 5.784 34 H ASP 4 H ASP 4 -9.678 1.244 -0.847 35 HA ASP 4 HA ASP 4 -8.880 3.588 0.751 36 HB2 ASP 4 HB2 ASP 4 -7.906 0.767 0.799 37 HB3 ASP 4 HB3 ASP 4 -6.791 2.064 1.213 38 H THR 5 H THR 5 -8.676 2.198 -2.277 39 HA THR 5 HA THR 5 -6.117 2.629 -3.172 40 HB THR 5 HB THR 5 -8.505 3.392 -4.826 41 HG1 THR 5 HG1 THR 5 -7.717 0.714 -4.745 42 HG21 THR 5 HG21 THR 5 -5.939 1.929 -5.468 43 HG22 THR 5 HG22 THR 5 -6.265 3.630 -5.818 44 HG23 THR 5 HG23 THR 5 -7.202 2.365 -6.620 45 H SER 6 H SER 6 -8.804 4.989 -3.398 46 HA SER 6 HA SER 6 -7.278 7.105 -4.404 47 HB2 SER 6 HB2 SER 6 -9.755 7.319 -2.672 48 HB3 SER 6 HB3 SER 6 -9.156 8.528 -3.807 49 HG SER 6 HG SER 6 -9.981 7.440 -5.419 50 H ARG 7 H ARG 7 -7.971 6.102 -1.114 51 HA ARG 7 HA ARG 7 -6.871 8.292 0.245 52 HB2 ARG 7 HB2 ARG 7 -8.198 6.779 1.492 53 HB3 ARG 7 HB3 ARG 7 -7.251 5.395 0.968 54 HG2 ARG 7 HG2 ARG 7 -5.383 6.118 2.327 55 HG3 ARG 7 HG3 ARG 7 -6.263 7.573 2.798 56 HD2 ARG 7 HD2 ARG 7 -7.269 4.786 3.331 57 HD3 ARG 7 HD3 ARG 7 -6.283 5.693 4.477 58 HE ARG 7 HE ARG 7 -8.164 7.434 4.221 59 HH11 ARG 7 HH11 ARG 7 -8.636 3.960 4.122 60 HH12 ARG 7 HH12 ARG 7 -10.236 4.047 4.794 61 HH21 ARG 7 HH21 ARG 7 -10.259 7.536 5.090 62 HH22 ARG 7 HH22 ARG 7 -11.161 6.076 5.343 63 H CYS 8 H CYS 8 -5.421 5.198 -0.723 64 HA CYS 8 HA CYS 8 -2.872 5.701 0.360 65 HB2 CYS 8 HB2 CYS 8 -3.564 3.460 -0.120 66 HB3 CYS 8 HB3 CYS 8 -3.812 3.842 -1.821 67 H VAL 9 H VAL 9 -4.187 6.207 -2.894 68 HA VAL 9 HA VAL 9 -1.613 6.919 -3.965 69 HB VAL 9 HB VAL 9 -3.421 5.845 -5.323 70 HG11 VAL 9 HG11 VAL 9 -4.748 8.542 -5.231 71 HG12 VAL 9 HG12 VAL 9 -5.318 7.080 -4.426 72 HG13 VAL 9 HG13 VAL 9 -5.259 7.148 -6.186 73 HG21 VAL 9 HG21 VAL 9 -2.431 8.501 -6.341 74 HG22 VAL 9 HG22 VAL 9 -3.075 7.200 -7.344 75 HG23 VAL 9 HG23 VAL 9 -1.581 6.958 -6.435 76 H GLY 10 H GLY 10 -4.027 8.567 -2.233 77 HA2 GLY 10 HA2 GLY 10 -3.467 11.220 -3.058 78 HA3 GLY 10 HA3 GLY 10 -4.118 10.745 -1.494 79 H TYR 11 H TYR 11 -1.750 8.908 -1.188 80 HA TYR 11 HA TYR 11 0.148 10.867 -0.178 81 HB2 TYR 11 HB2 TYR 11 0.033 7.847 0.062 82 HB3 TYR 11 HB3 TYR 11 1.296 8.841 0.774 83 HD1 TYR 11 HD1 TYR 11 -2.292 8.014 0.908 84 HD2 TYR 11 HD2 TYR 11 0.928 10.050 2.796 85 HE1 TYR 11 HE1 TYR 11 -3.672 8.321 2.918 86 HE2 TYR 11 HE2 TYR 11 -0.446 10.367 4.810 87 HH TYR 11 HH TYR 11 -3.457 8.750 5.254 88 H HIS 12 H HIS 12 1.796 8.084 -0.945 89 HA HIS 12 HA HIS 12 2.505 8.743 -3.664 90 HB2 HIS 12 HB2 HIS 12 4.593 9.042 -1.479 91 HB3 HIS 12 HB3 HIS 12 4.902 9.118 -3.204 92 HD1 HIS 12 HD1 HIS 12 4.394 11.329 -4.398 93 HD2 HIS 12 HD2 HIS 12 3.438 11.338 -0.354 94 HE1 HIS 12 HE1 HIS 12 3.966 13.736 -3.812 95 HE2 HIS 12 HE2 HIS 12 3.248 13.696 -1.397 96 H GLY 13 H GLY 13 2.314 6.662 -4.363 97 HA2 GLY 13 HA2 GLY 13 4.227 4.761 -4.092 98 HA3 GLY 13 HA3 GLY 13 3.183 4.462 -2.708 99 H TYR 14 H TYR 14 2.183 2.586 -3.258 100 HA TYR 14 HA TYR 14 0.215 2.633 -5.301 101 HB2 TYR 14 HB2 TYR 14 1.116 0.943 -6.801 102 HB3 TYR 14 HB3 TYR 14 2.143 2.361 -6.777 103 HD1 TYR 14 HD1 TYR 14 4.273 2.236 -5.316 104 HD2 TYR 14 HD2 TYR 14 1.998 -1.180 -6.447 105 HE1 TYR 14 HE1 TYR 14 6.222 0.799 -4.887 106 HE2 TYR 14 HE2 TYR 14 3.939 -2.622 -6.019 107 HH TYR 14 HH TYR 14 6.285 -2.532 -5.826 108 H CYS 15 H CYS 15 -0.603 0.339 -5.741 109 HA CYS 15 HA CYS 15 -1.002 -0.888 -3.109 110 HB2 CYS 15 HB2 CYS 15 -2.623 -1.149 -5.653 111 HB3 CYS 15 HB3 CYS 15 -3.067 -1.782 -4.071 112 H ILE 16 H ILE 16 -0.506 -3.011 -2.709 113 HA ILE 16 HA ILE 16 0.273 -4.670 -5.014 114 HB ILE 16 HB ILE 16 2.142 -5.570 -3.926 115 HG12 ILE 16 HG12 ILE 16 1.331 -4.144 -1.391 116 HG13 ILE 16 HG13 ILE 16 1.057 -5.852 -1.708 117 HG21 ILE 16 HG21 ILE 16 2.562 -3.341 -4.787 118 HG22 ILE 16 HG22 ILE 16 3.561 -3.674 -3.372 119 HG23 ILE 16 HG23 ILE 16 2.132 -2.650 -3.222 120 HD11 ILE 16 HD11 ILE 16 3.488 -6.179 -1.879 121 HD12 ILE 16 HD12 ILE 16 2.979 -5.582 -0.301 122 HD13 ILE 16 HD13 ILE 16 3.720 -4.480 -1.462 123 H ARG 17 H ARG 17 -0.271 -6.846 -4.867 124 HA ARG 17 HA ARG 17 -2.076 -7.570 -2.711 125 HB2 ARG 17 HB2 ARG 17 -2.503 -9.633 -3.980 126 HB3 ARG 17 HB3 ARG 17 -2.787 -8.203 -4.946 127 HG2 ARG 17 HG2 ARG 17 -0.217 -9.741 -5.120 128 HG3 ARG 17 HG3 ARG 17 -1.645 -10.202 -6.044 129 HD2 ARG 17 HD2 ARG 17 -0.742 -8.847 -7.599 130 HD3 ARG 17 HD3 ARG 17 -1.519 -7.584 -6.649 131 HE ARG 17 HE ARG 17 1.004 -7.950 -5.557 132 HH11 ARG 17 HH11 ARG 17 -0.340 -6.992 -8.642 133 HH12 ARG 17 HH12 ARG 17 1.021 -6.010 -9.074 134 HH21 ARG 17 HH21 ARG 17 2.794 -6.651 -6.113 135 HH22 ARG 17 HH22 ARG 17 2.807 -5.808 -7.629 136 H SER 18 H SER 18 -0.653 -7.595 -1.028 137 HA SER 18 HA SER 18 0.593 -10.046 -0.385 138 HB2 SER 18 HB2 SER 18 2.421 -7.701 -1.009 139 HB3 SER 18 HB3 SER 18 2.922 -9.103 -0.075 140 HG SER 18 HG SER 18 1.787 -9.908 -2.374 141 H LYS 19 H LYS 19 1.655 -9.825 1.830 142 HA LYS 19 HA LYS 19 0.332 -7.666 3.326 143 HB2 LYS 19 HB2 LYS 19 1.514 -10.231 4.406 144 HB3 LYS 19 HB3 LYS 19 0.544 -9.067 5.292 145 HG2 LYS 19 HG2 LYS 19 -0.642 -10.341 2.884 146 HG3 LYS 19 HG3 LYS 19 -0.486 -11.299 4.353 147 HD2 LYS 19 HD2 LYS 19 -2.668 -10.317 4.324 148 HD3 LYS 19 HD3 LYS 19 -1.722 -9.514 5.571 149 HE2 LYS 19 HE2 LYS 19 -1.363 -7.611 4.141 150 HE3 LYS 19 HE3 LYS 19 -2.156 -8.427 2.794 151 HZ1 LYS 19 HZ1 LYS 19 -3.602 -6.861 3.917 152 HZ2 LYS 19 HZ2 LYS 19 -3.466 -7.682 5.311 153 HZ3 LYS 19 HZ3 LYS 19 -4.191 -8.373 4.031 154 H VAL 20 H VAL 20 3.255 -8.572 2.071 155 HA VAL 20 HA VAL 20 4.724 -6.877 3.978 156 HB VAL 20 HB VAL 20 5.779 -9.180 2.323 157 HG11 VAL 20 HG11 VAL 20 7.252 -7.415 4.268 158 HG12 VAL 20 HG12 VAL 20 7.402 -7.343 2.512 159 HG13 VAL 20 HG13 VAL 20 7.921 -8.787 3.384 160 HG21 VAL 20 HG21 VAL 20 4.497 -9.900 4.270 161 HG22 VAL 20 HG22 VAL 20 5.482 -8.871 5.309 162 HG23 VAL 20 HG23 VAL 20 6.213 -10.245 4.482 163 H CYS 21 H CYS 21 5.337 -5.007 3.142 164 HA CYS 21 HA CYS 21 5.146 -4.546 0.292 165 HB2 CYS 21 HB2 CYS 21 5.614 -2.758 2.669 166 HB3 CYS 21 HB3 CYS 21 5.738 -2.163 1.016 167 HA PRO 22 HA PRO 22 9.507 -4.908 -0.518 168 HB2 PRO 22 HB2 PRO 22 9.546 -3.508 -2.848 169 HB3 PRO 22 HB3 PRO 22 9.000 -5.185 -2.728 170 HG2 PRO 22 HG2 PRO 22 7.404 -2.673 -2.897 171 HG3 PRO 22 HG3 PRO 22 7.091 -4.258 -3.620 172 HD2 PRO 22 HD2 PRO 22 5.828 -3.347 -1.383 173 HD3 PRO 22 HD3 PRO 22 6.099 -5.067 -1.723 174 H LYS 23 H LYS 23 11.349 -3.633 -0.310 175 HA LYS 23 HA LYS 23 10.881 -1.014 0.793 176 HB2 LYS 23 HB2 LYS 23 13.408 -2.613 0.409 177 HB3 LYS 23 HB3 LYS 23 13.321 -1.064 1.245 178 HG2 LYS 23 HG2 LYS 23 12.097 -1.951 3.011 179 HG3 LYS 23 HG3 LYS 23 11.628 -3.383 2.092 180 HD2 LYS 23 HD2 LYS 23 13.906 -4.181 2.125 181 HD3 LYS 23 HD3 LYS 23 14.431 -2.725 2.976 182 HE2 LYS 23 HE2 LYS 23 12.993 -3.320 4.867 183 HE3 LYS 23 HE3 LYS 23 12.478 -4.774 4.015 184 HZ1 LYS 23 HZ1 LYS 23 15.217 -4.192 4.893 185 HZ2 LYS 23 HZ2 LYS 23 14.762 -5.527 4.085 186 HZ3 LYS 23 HZ3 LYS 23 14.204 -5.260 5.588 187 HA PRO 24 HA PRO 24 11.772 0.543 1.277 188 HB2 PRO 24 HB2 PRO 24 12.037 3.180 1.085 189 HB3 PRO 24 HB3 PRO 24 13.446 2.119 0.985 190 HG2 PRO 24 HG2 PRO 24 11.996 3.560 -1.183 191 HG3 PRO 24 HG3 PRO 24 13.726 3.212 -1.029 192 HD2 PRO 24 HD2 PRO 24 11.843 1.761 -2.548 193 HD3 PRO 24 HD3 PRO 24 13.499 1.266 -2.163 194 H PHE 25 H PHE 25 9.660 0.187 1.698 195 HA PHE 25 HA PHE 25 7.796 2.351 1.292 196 HB2 PHE 25 HB2 PHE 25 7.393 -0.351 0.028 197 HB3 PHE 25 HB3 PHE 25 6.021 0.633 0.509 198 HD1 PHE 25 HD1 PHE 25 8.565 0.084 -1.992 199 HD2 PHE 25 HD2 PHE 25 5.698 2.858 -0.527 200 HE1 PHE 25 HE1 PHE 25 8.645 1.294 -4.134 201 HE2 PHE 25 HE2 PHE 25 5.763 4.077 -2.655 202 HZ PHE 25 HZ PHE 25 7.246 3.297 -4.468 203 H ALA 26 H ALA 26 5.913 2.119 2.633 204 HA ALA 26 HA ALA 26 6.363 0.256 4.872 205 HB1 ALA 26 HB1 ALA 26 6.575 2.604 5.506 206 HB2 ALA 26 HB2 ALA 26 5.163 1.874 6.271 207 HB3 ALA 26 HB3 ALA 26 4.962 2.930 4.871 208 H ALA 27 H ALA 27 4.626 -0.873 5.715 209 HA ALA 27 HA ALA 27 2.487 -1.451 3.905 210 HB1 ALA 27 HB1 ALA 27 1.739 -3.026 5.620 211 HB2 ALA 27 HB2 ALA 27 2.900 -2.345 6.760 212 HB3 ALA 27 HB3 ALA 27 3.469 -3.191 5.321 213 H PHE 28 H PHE 28 1.309 0.403 3.635 214 HA PHE 28 HA PHE 28 0.258 1.820 5.945 215 HB2 PHE 28 HB2 PHE 28 1.126 3.019 3.926 216 HB3 PHE 28 HB3 PHE 28 -0.181 2.317 2.984 217 HD1 PHE 28 HD1 PHE 28 0.854 5.062 4.947 218 HD2 PHE 28 HD2 PHE 28 -2.592 2.857 3.781 219 HE1 PHE 28 HE1 PHE 28 -0.566 6.975 5.531 220 HE2 PHE 28 HE2 PHE 28 -4.021 4.770 4.360 221 HZ PHE 28 HZ PHE 28 -3.009 6.834 5.233 222 H GLY 29 H GLY 29 -1.113 0.200 6.810 223 HA2 GLY 29 HA2 GLY 29 -3.131 -0.812 7.155 224 HA3 GLY 29 HA3 GLY 29 -3.775 0.582 6.305 225 H THR 30 H THR 30 -4.595 0.345 4.320 226 HA THR 30 HA THR 30 -4.279 -2.183 2.896 227 HB THR 30 HB THR 30 -6.812 -2.256 2.606 228 HG1 THR 30 HG1 THR 30 -7.851 -0.692 3.584 229 HG21 THR 30 HG21 THR 30 -5.570 -3.895 3.911 230 HG22 THR 30 HG22 THR 30 -7.110 -3.526 4.693 231 HG23 THR 30 HG23 THR 30 -5.610 -2.828 5.315 232 H CYS 31 H CYS 31 -5.082 -2.132 0.794 233 HA CYS 31 HA CYS 31 -5.574 0.522 -0.377 234 HB2 CYS 31 HB2 CYS 31 -3.664 -1.515 -1.082 235 HB3 CYS 31 HB3 CYS 31 -4.789 -1.257 -2.408 236 H SER 32 H SER 32 -6.420 -0.544 -2.896 237 HA SER 32 HA SER 32 -9.010 -0.971 -2.895 238 HB2 SER 32 HB2 SER 32 -7.239 -2.890 -4.371 239 HB3 SER 32 HB3 SER 32 -8.780 -2.218 -4.890 240 HG SER 32 HG SER 32 -7.002 -1.190 -5.908 241 H TRP 33 H TRP 33 -10.142 -1.961 -1.353 242 HA TRP 33 HA TRP 33 -11.016 -3.499 0.041 243 HB2 TRP 33 HB2 TRP 33 -9.958 -5.506 -1.952 244 HB3 TRP 33 HB3 TRP 33 -11.298 -5.733 -0.828 245 HD1 TRP 33 HD1 TRP 33 -10.850 -5.166 -4.317 246 HE1 TRP 33 HE1 TRP 33 -12.837 -3.941 -5.396 247 HE3 TRP 33 HE3 TRP 33 -13.096 -3.379 -0.087 248 HZ2 TRP 33 HZ2 TRP 33 -15.058 -2.409 -4.562 249 HZ3 TRP 33 HZ3 TRP 33 -15.134 -2.026 -0.318 250 HH2 TRP 33 HH2 TRP 33 -16.094 -1.556 -2.517 251 H ARG 34 H ARG 34 -10.499 -5.618 1.322 252 HA ARG 34 HA ARG 34 -7.997 -5.093 2.651 253 HB2 ARG 34 HB2 ARG 34 -8.701 -6.789 4.260 254 HB3 ARG 34 HB3 ARG 34 -9.990 -5.636 3.957 255 HG2 ARG 34 HG2 ARG 34 -11.065 -7.256 2.452 256 HG3 ARG 34 HG3 ARG 34 -9.787 -8.416 2.816 257 HD2 ARG 34 HD2 ARG 34 -11.697 -7.204 4.811 258 HD3 ARG 34 HD3 ARG 34 -11.792 -8.836 4.156 259 HE ARG 34 HE ARG 34 -9.416 -8.992 5.211 260 HH11 ARG 34 HH11 ARG 34 -12.220 -7.370 6.530 261 HH12 ARG 34 HH12 ARG 34 -11.727 -7.573 8.179 262 HH21 ARG 34 HH21 ARG 34 -8.756 -9.267 7.391 263 HH22 ARG 34 HH22 ARG 34 -9.751 -8.647 8.669 264 H GLN 35 H GLN 35 -7.946 -6.124 -0.078 265 HA GLN 35 HA GLN 35 -6.679 -8.751 0.255 266 HB2 GLN 35 HB2 GLN 35 -7.492 -7.349 -2.295 267 HB3 GLN 35 HB3 GLN 35 -7.033 -9.036 -2.110 268 HG2 GLN 35 HG2 GLN 35 -9.438 -7.809 -0.803 269 HG3 GLN 35 HG3 GLN 35 -9.471 -8.618 -2.362 270 HE21 GLN 35 HE21 GLN 35 -10.831 -9.289 0.113 271 HE22 GLN 35 HE22 GLN 35 -10.338 -10.898 0.515 272 H LYS 36 H LYS 36 -6.207 -5.458 -0.784 273 HA LYS 36 HA LYS 36 -3.410 -6.074 -1.460 274 HB2 LYS 36 HB2 LYS 36 -4.761 -3.548 -2.336 275 HB3 LYS 36 HB3 LYS 36 -3.423 -4.394 -3.069 276 HG2 LYS 36 HG2 LYS 36 -6.157 -5.605 -3.034 277 HG3 LYS 36 HG3 LYS 36 -5.701 -4.410 -4.249 278 HD2 LYS 36 HD2 LYS 36 -4.046 -6.851 -3.703 279 HD3 LYS 36 HD3 LYS 36 -5.380 -6.853 -4.860 280 HE2 LYS 36 HE2 LYS 36 -3.303 -4.723 -5.025 281 HE3 LYS 36 HE3 LYS 36 -2.936 -6.325 -5.635 282 HZ1 LYS 36 HZ1 LYS 36 -3.827 -4.887 -7.341 283 HZ2 LYS 36 HZ2 LYS 36 -5.201 -4.676 -6.497 284 HZ3 LYS 36 HZ3 LYS 36 -4.831 -6.145 -7.083 285 H THR 37 H THR 37 -1.819 -4.935 -0.452 286 HA THR 37 HA THR 37 -2.660 -3.182 1.749 287 HB THR 37 HB THR 37 0.051 -4.439 1.220 288 HG1 THR 37 HG1 THR 37 -0.894 -6.168 1.972 289 HG21 THR 37 HG21 THR 37 -1.050 -3.048 3.668 290 HG22 THR 37 HG22 THR 37 0.217 -2.436 2.605 291 HG23 THR 37 HG23 THR 37 0.503 -3.878 3.581 292 H CYS 38 H CYS 38 -1.935 -1.055 1.869 293 HA CYS 38 HA CYS 38 -1.030 0.117 -0.600 294 HB2 CYS 38 HB2 CYS 38 -2.629 1.402 0.615 295 HB3 CYS 38 HB3 CYS 38 -1.702 1.267 2.107 296 H CYS 39 H CYS 39 0.991 0.673 -1.109 297 HA CYS 39 HA CYS 39 3.021 0.475 1.010 298 HB2 CYS 39 HB2 CYS 39 3.294 -0.172 -1.931 299 HB3 CYS 39 HB3 CYS 39 4.604 -0.223 -0.751 300 H VAL 40 H VAL 40 3.666 2.411 1.557 301 HA VAL 40 HA VAL 40 4.280 4.365 -0.535 302 HB VAL 40 HB VAL 40 3.356 6.165 1.029 303 HG11 VAL 40 HG11 VAL 40 1.336 4.262 -0.153 304 HG12 VAL 40 HG12 VAL 40 2.294 5.407 -1.096 305 HG13 VAL 40 HG13 VAL 40 1.143 5.999 0.106 306 HG21 VAL 40 HG21 VAL 40 1.582 5.475 2.541 307 HG22 VAL 40 HG22 VAL 40 3.120 4.745 3.006 308 HG23 VAL 40 HG23 VAL 40 1.905 3.786 2.156 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 -13.849 3.659 -7.816 2 H2 LEU 1 H2 LEU 1 -12.911 4.949 -8.102 3 H3 LEU 1 H3 LEU 1 -13.652 4.790 -6.666 4 HA LEU 1 HA LEU 1 -11.559 3.038 -7.703 5 HB2 LEU 1 HB2 LEU 1 -11.525 5.103 -5.497 6 HB3 LEU 1 HB3 LEU 1 -10.268 3.906 -5.723 7 HG LEU 1 HG LEU 1 -10.093 4.931 -8.122 8 HD11 LEU 1 HD11 LEU 1 -11.361 7.193 -6.588 9 HD12 LEU 1 HD12 LEU 1 -12.036 6.368 -7.992 10 HD13 LEU 1 HD13 LEU 1 -10.572 7.334 -8.157 11 HD21 LEU 1 HD21 LEU 1 -9.087 6.373 -5.674 12 HD22 LEU 1 HD22 LEU 1 -8.430 6.523 -7.304 13 HD23 LEU 1 HD23 LEU 1 -8.327 4.984 -6.448 14 HA PRO 2 HA PRO 2 -12.795 -0.415 -5.331 15 HB2 PRO 2 HB2 PRO 2 -10.184 0.039 -3.948 16 HB3 PRO 2 HB3 PRO 2 -10.886 -1.468 -4.512 17 HG2 PRO 2 HG2 PRO 2 -8.997 -0.217 -5.907 18 HG3 PRO 2 HG3 PRO 2 -10.347 -1.039 -6.727 19 HD2 PRO 2 HD2 PRO 2 -9.805 1.847 -6.444 20 HD3 PRO 2 HD3 PRO 2 -10.811 1.001 -7.634 21 H ARG 3 H ARG 3 -10.741 1.249 -2.981 22 HA ARG 3 HA ARG 3 -12.914 1.959 -1.262 23 HB2 ARG 3 HB2 ARG 3 -12.870 -0.463 -0.903 24 HB3 ARG 3 HB3 ARG 3 -11.166 -0.390 -0.506 25 HG2 ARG 3 HG2 ARG 3 -11.878 1.193 1.368 26 HG3 ARG 3 HG3 ARG 3 -13.502 0.552 1.073 27 HD2 ARG 3 HD2 ARG 3 -12.312 -1.751 1.158 28 HD3 ARG 3 HD3 ARG 3 -11.048 -0.868 2.012 29 HE ARG 3 HE ARG 3 -13.839 -1.047 2.880 30 HH11 ARG 3 HH11 ARG 3 -10.439 -0.656 3.598 31 HH12 ARG 3 HH12 ARG 3 -10.656 -0.851 5.313 32 HH21 ARG 3 HH21 ARG 3 -14.124 -1.303 5.143 33 HH22 ARG 3 HH22 ARG 3 -12.744 -1.218 6.190 34 H ASP 4 H ASP 4 -9.685 0.775 -0.399 35 HA ASP 4 HA ASP 4 -9.150 3.305 0.917 36 HB2 ASP 4 HB2 ASP 4 -7.631 0.697 0.866 37 HB3 ASP 4 HB3 ASP 4 -7.093 2.125 1.739 38 H THR 5 H THR 5 -8.644 2.025 -2.104 39 HA THR 5 HA THR 5 -6.108 2.638 -2.906 40 HB THR 5 HB THR 5 -8.487 3.429 -4.560 41 HG1 THR 5 HG1 THR 5 -7.656 0.775 -4.643 42 HG21 THR 5 HG21 THR 5 -7.127 2.499 -6.383 43 HG22 THR 5 HG22 THR 5 -5.856 2.093 -5.225 44 HG23 THR 5 HG23 THR 5 -6.267 3.785 -5.528 45 H SER 6 H SER 6 -8.854 4.893 -2.692 46 HA SER 6 HA SER 6 -7.564 7.114 -3.818 47 HB2 SER 6 HB2 SER 6 -9.766 7.256 -1.754 48 HB3 SER 6 HB3 SER 6 -9.454 8.364 -3.092 49 HG SER 6 HG SER 6 -11.173 6.948 -3.573 50 H ARG 7 H ARG 7 -7.978 6.114 -0.447 51 HA ARG 7 HA ARG 7 -6.683 8.248 0.800 52 HB2 ARG 7 HB2 ARG 7 -7.961 6.621 2.058 53 HB3 ARG 7 HB3 ARG 7 -6.874 5.330 1.571 54 HG2 ARG 7 HG2 ARG 7 -5.076 6.330 2.865 55 HG3 ARG 7 HG3 ARG 7 -6.133 7.670 3.317 56 HD2 ARG 7 HD2 ARG 7 -6.614 4.764 3.973 57 HD3 ARG 7 HD3 ARG 7 -5.972 5.968 5.092 58 HE ARG 7 HE ARG 7 -8.275 7.103 4.339 59 HH11 ARG 7 HH11 ARG 7 -7.563 3.852 5.413 60 HH12 ARG 7 HH12 ARG 7 -9.129 3.593 6.106 61 HH21 ARG 7 HH21 ARG 7 -10.338 6.784 5.260 62 HH22 ARG 7 HH22 ARG 7 -10.716 5.274 6.021 63 H CYS 8 H CYS 8 -5.409 5.209 -0.482 64 HA CYS 8 HA CYS 8 -2.754 5.574 0.398 65 HB2 CYS 8 HB2 CYS 8 -3.593 3.391 -0.209 66 HB3 CYS 8 HB3 CYS 8 -3.884 3.920 -1.864 67 H VAL 9 H VAL 9 -4.366 6.370 -2.654 68 HA VAL 9 HA VAL 9 -1.883 7.179 -3.885 69 HB VAL 9 HB VAL 9 -3.757 6.144 -5.175 70 HG11 VAL 9 HG11 VAL 9 -5.620 7.242 -4.062 71 HG12 VAL 9 HG12 VAL 9 -5.692 7.447 -5.811 72 HG13 VAL 9 HG13 VAL 9 -5.151 8.781 -4.787 73 HG21 VAL 9 HG21 VAL 9 -2.057 7.365 -6.367 74 HG22 VAL 9 HG22 VAL 9 -2.896 8.885 -6.070 75 HG23 VAL 9 HG23 VAL 9 -3.625 7.666 -7.116 76 H GLY 10 H GLY 10 -4.125 8.626 -1.827 77 HA2 GLY 10 HA2 GLY 10 -3.738 11.352 -2.524 78 HA3 GLY 10 HA3 GLY 10 -4.220 10.749 -0.941 79 H TYR 11 H TYR 11 -1.746 8.977 -1.080 80 HA TYR 11 HA TYR 11 0.175 10.993 -0.187 81 HB2 TYR 11 HB2 TYR 11 0.072 7.994 0.212 82 HB3 TYR 11 HB3 TYR 11 1.407 9.003 0.758 83 HD1 TYR 11 HD1 TYR 11 -2.099 8.096 1.310 84 HD2 TYR 11 HD2 TYR 11 1.148 10.489 2.653 85 HE1 TYR 11 HE1 TYR 11 -3.309 8.555 3.397 86 HE2 TYR 11 HE2 TYR 11 -0.052 10.953 4.748 87 HH TYR 11 HH TYR 11 -2.404 10.987 5.556 88 H HIS 12 H HIS 12 1.698 8.121 -1.014 89 HA HIS 12 HA HIS 12 2.194 8.682 -3.791 90 HB2 HIS 12 HB2 HIS 12 4.532 8.987 -1.881 91 HB3 HIS 12 HB3 HIS 12 4.581 9.121 -3.629 92 HD1 HIS 12 HD1 HIS 12 3.601 11.340 -4.663 93 HD2 HIS 12 HD2 HIS 12 3.843 11.261 -0.513 94 HE1 HIS 12 HE1 HIS 12 3.361 13.734 -3.928 95 HE2 HIS 12 HE2 HIS 12 3.597 13.676 -1.420 96 H GLY 13 H GLY 13 1.965 6.588 -4.393 97 HA2 GLY 13 HA2 GLY 13 3.910 4.688 -4.096 98 HA3 GLY 13 HA3 GLY 13 2.844 4.432 -2.723 99 H TYR 14 H TYR 14 1.965 2.490 -3.324 100 HA TYR 14 HA TYR 14 0.018 2.517 -5.409 101 HB2 TYR 14 HB2 TYR 14 1.005 0.812 -6.859 102 HB3 TYR 14 HB3 TYR 14 1.981 2.269 -6.828 103 HD1 TYR 14 HD1 TYR 14 1.989 -1.261 -6.526 104 HD2 TYR 14 HD2 TYR 14 4.033 2.236 -5.217 105 HE1 TYR 14 HE1 TYR 14 3.972 -2.614 -6.012 106 HE2 TYR 14 HE2 TYR 14 6.016 0.883 -4.689 107 HH TYR 14 HH TYR 14 6.254 -2.461 -5.635 108 H CYS 15 H CYS 15 -0.670 0.135 -5.880 109 HA CYS 15 HA CYS 15 -1.213 -0.993 -3.221 110 HB2 CYS 15 HB2 CYS 15 -2.851 -1.123 -5.764 111 HB3 CYS 15 HB3 CYS 15 -3.326 -1.781 -4.201 112 H ILE 16 H ILE 16 -0.378 -2.946 -2.800 113 HA ILE 16 HA ILE 16 0.360 -4.641 -5.103 114 HB ILE 16 HB ILE 16 2.147 -5.566 -3.887 115 HG12 ILE 16 HG12 ILE 16 1.142 -4.150 -1.413 116 HG13 ILE 16 HG13 ILE 16 0.888 -5.854 -1.756 117 HG21 ILE 16 HG21 ILE 16 2.068 -2.645 -3.160 118 HG22 ILE 16 HG22 ILE 16 2.599 -3.313 -4.702 119 HG23 ILE 16 HG23 ILE 16 3.511 -3.658 -3.231 120 HD11 ILE 16 HD11 ILE 16 2.697 -5.566 -0.193 121 HD12 ILE 16 HD12 ILE 16 3.537 -4.503 -1.322 122 HD13 ILE 16 HD13 ILE 16 3.309 -6.206 -1.719 123 H ARG 17 H ARG 17 -0.195 -6.798 -5.075 124 HA ARG 17 HA ARG 17 -2.167 -7.614 -3.130 125 HB2 ARG 17 HB2 ARG 17 -2.388 -9.668 -4.454 126 HB3 ARG 17 HB3 ARG 17 -2.566 -8.242 -5.452 127 HG2 ARG 17 HG2 ARG 17 0.026 -9.751 -5.279 128 HG3 ARG 17 HG3 ARG 17 -1.256 -10.211 -6.397 129 HD2 ARG 17 HD2 ARG 17 -0.104 -8.839 -7.781 130 HD3 ARG 17 HD3 ARG 17 -1.089 -7.613 -6.990 131 HE ARG 17 HE ARG 17 1.352 -8.045 -5.588 132 HH11 ARG 17 HH11 ARG 17 0.014 -6.488 -8.420 133 HH12 ARG 17 HH12 ARG 17 1.270 -5.297 -8.521 134 HH21 ARG 17 HH21 ARG 17 3.014 -6.483 -5.711 135 HH22 ARG 17 HH22 ARG 17 2.983 -5.294 -6.975 136 H SER 18 H SER 18 -0.920 -7.540 -1.309 137 HA SER 18 HA SER 18 0.117 -9.939 -0.377 138 HB2 SER 18 HB2 SER 18 2.054 -9.440 -1.852 139 HB3 SER 18 HB3 SER 18 2.261 -7.890 -1.040 140 HG SER 18 HG SER 18 3.332 -10.164 -0.361 141 H LYS 19 H LYS 19 1.017 -9.623 1.852 142 HA LYS 19 HA LYS 19 0.095 -7.080 2.998 143 HB2 LYS 19 HB2 LYS 19 0.535 -9.741 4.368 144 HB3 LYS 19 HB3 LYS 19 -0.125 -8.290 5.111 145 HG2 LYS 19 HG2 LYS 19 -1.399 -9.728 2.796 146 HG3 LYS 19 HG3 LYS 19 -1.828 -9.984 4.485 147 HD2 LYS 19 HD2 LYS 19 -2.559 -7.710 4.709 148 HD3 LYS 19 HD3 LYS 19 -1.938 -7.306 3.109 149 HE2 LYS 19 HE2 LYS 19 -4.350 -7.566 3.040 150 HE3 LYS 19 HE3 LYS 19 -3.567 -8.829 2.097 151 HZ1 LYS 19 HZ1 LYS 19 -4.574 -9.171 4.827 152 HZ2 LYS 19 HZ2 LYS 19 -3.930 -10.337 3.896 153 HZ3 LYS 19 HZ3 LYS 19 -5.349 -9.663 3.484 154 H VAL 20 H VAL 20 2.766 -8.294 1.812 155 HA VAL 20 HA VAL 20 4.494 -7.071 3.867 156 HB VAL 20 HB VAL 20 5.204 -9.320 1.966 157 HG11 VAL 20 HG11 VAL 20 7.357 -9.369 3.143 158 HG12 VAL 20 HG12 VAL 20 6.879 -7.938 4.057 159 HG13 VAL 20 HG13 VAL 20 7.096 -7.837 2.309 160 HG21 VAL 20 HG21 VAL 20 3.817 -10.088 3.804 161 HG22 VAL 20 HG22 VAL 20 4.884 -9.299 4.966 162 HG23 VAL 20 HG23 VAL 20 5.472 -10.659 4.010 163 H CYS 21 H CYS 21 5.282 -5.185 3.179 164 HA CYS 21 HA CYS 21 5.176 -4.556 0.348 165 HB2 CYS 21 HB2 CYS 21 5.597 -2.917 2.833 166 HB3 CYS 21 HB3 CYS 21 5.889 -2.245 1.231 167 HA PRO 22 HA PRO 22 9.574 -5.036 -0.256 168 HB2 PRO 22 HB2 PRO 22 9.686 -3.789 -2.662 169 HB3 PRO 22 HB3 PRO 22 9.147 -5.463 -2.465 170 HG2 PRO 22 HG2 PRO 22 7.555 -2.984 -2.884 171 HG3 PRO 22 HG3 PRO 22 7.256 -4.629 -3.467 172 HD2 PRO 22 HD2 PRO 22 5.955 -3.482 -1.339 173 HD3 PRO 22 HD3 PRO 22 6.149 -5.229 -1.567 174 H LYS 23 H LYS 23 11.389 -3.708 -0.071 175 HA LYS 23 HA LYS 23 10.839 -1.041 0.836 176 HB2 LYS 23 HB2 LYS 23 13.231 -0.988 1.384 177 HB3 LYS 23 HB3 LYS 23 12.418 -2.403 2.042 178 HG2 LYS 23 HG2 LYS 23 13.266 -3.632 -0.029 179 HG3 LYS 23 HG3 LYS 23 14.344 -2.248 -0.243 180 HD2 LYS 23 HD2 LYS 23 15.188 -2.583 2.031 181 HD3 LYS 23 HD3 LYS 23 14.132 -3.984 2.199 182 HE2 LYS 23 HE2 LYS 23 16.370 -4.722 1.674 183 HE3 LYS 23 HE3 LYS 23 15.299 -5.061 0.317 184 HZ1 LYS 23 HZ1 LYS 23 16.165 -3.109 -0.768 185 HZ2 LYS 23 HZ2 LYS 23 17.374 -4.129 -0.408 186 HZ3 LYS 23 HZ3 LYS 23 17.152 -2.792 0.490 187 HA PRO 24 HA PRO 24 11.804 0.549 1.253 188 HB2 PRO 24 HB2 PRO 24 12.022 3.179 0.915 189 HB3 PRO 24 HB3 PRO 24 13.443 2.136 0.809 190 HG2 PRO 24 HG2 PRO 24 11.879 3.441 -1.365 191 HG3 PRO 24 HG3 PRO 24 13.620 3.136 -1.264 192 HD2 PRO 24 HD2 PRO 24 11.714 1.574 -2.637 193 HD3 PRO 24 HD3 PRO 24 13.393 1.129 -2.287 194 H PHE 25 H PHE 25 9.694 0.162 1.731 195 HA PHE 25 HA PHE 25 7.808 2.309 1.315 196 HB2 PHE 25 HB2 PHE 25 7.383 -0.427 0.132 197 HB3 PHE 25 HB3 PHE 25 6.022 0.571 0.618 198 HD1 PHE 25 HD1 PHE 25 5.749 2.828 -0.428 199 HD2 PHE 25 HD2 PHE 25 8.451 -0.084 -1.949 200 HE1 PHE 25 HE1 PHE 25 5.777 4.005 -2.579 201 HE2 PHE 25 HE2 PHE 25 8.498 1.091 -4.111 202 HZ PHE 25 HZ PHE 25 7.160 3.137 -4.428 203 H ALA 26 H ALA 26 5.924 2.090 2.665 204 HA ALA 26 HA ALA 26 6.344 0.243 4.924 205 HB1 ALA 26 HB1 ALA 26 4.968 2.935 4.917 206 HB2 ALA 26 HB2 ALA 26 6.585 2.605 5.543 207 HB3 ALA 26 HB3 ALA 26 5.176 1.881 6.318 208 H ALA 27 H ALA 27 4.562 -0.876 5.735 209 HA ALA 27 HA ALA 27 2.462 -1.401 3.858 210 HB1 ALA 27 HB1 ALA 27 2.769 -2.353 6.705 211 HB2 ALA 27 HB2 ALA 27 3.403 -3.171 5.277 212 HB3 ALA 27 HB3 ALA 27 1.661 -3.008 5.500 213 H PHE 28 H PHE 28 1.340 0.486 3.600 214 HA PHE 28 HA PHE 28 0.279 1.917 5.884 215 HB2 PHE 28 HB2 PHE 28 1.166 3.084 3.867 216 HB3 PHE 28 HB3 PHE 28 -0.130 2.379 2.915 217 HD1 PHE 28 HD1 PHE 28 0.890 5.132 4.894 218 HD2 PHE 28 HD2 PHE 28 -2.542 2.955 3.635 219 HE1 PHE 28 HE1 PHE 28 -0.528 7.059 5.435 220 HE2 PHE 28 HE2 PHE 28 -3.967 4.881 4.170 221 HZ PHE 28 HZ PHE 28 -2.963 6.938 5.067 222 H GLY 29 H GLY 29 -1.183 0.466 6.814 223 HA2 GLY 29 HA2 GLY 29 -3.240 -0.464 7.167 224 HA3 GLY 29 HA3 GLY 29 -3.822 0.862 6.178 225 H THR 30 H THR 30 -4.752 0.408 4.323 226 HA THR 30 HA THR 30 -4.173 -2.099 2.945 227 HB THR 30 HB THR 30 -6.657 -2.427 2.577 228 HG1 THR 30 HG1 THR 30 -7.858 -0.860 3.359 229 HG21 THR 30 HG21 THR 30 -5.366 -3.875 4.043 230 HG22 THR 30 HG22 THR 30 -6.970 -3.592 4.726 231 HG23 THR 30 HG23 THR 30 -5.567 -2.735 5.375 232 H CYS 31 H CYS 31 -4.896 -2.106 0.793 233 HA CYS 31 HA CYS 31 -5.443 0.536 -0.374 234 HB2 CYS 31 HB2 CYS 31 -3.552 -1.509 -1.079 235 HB3 CYS 31 HB3 CYS 31 -4.705 -1.290 -2.393 236 H SER 32 H SER 32 -6.347 -0.499 -2.882 237 HA SER 32 HA SER 32 -8.938 -0.911 -2.831 238 HB2 SER 32 HB2 SER 32 -7.243 -2.827 -4.385 239 HB3 SER 32 HB3 SER 32 -8.732 -2.030 -4.881 240 HG SER 32 HG SER 32 -6.413 -1.228 -5.525 241 H TRP 33 H TRP 33 -10.051 -1.936 -1.288 242 HA TRP 33 HA TRP 33 -10.927 -3.517 0.056 243 HB2 TRP 33 HB2 TRP 33 -9.788 -5.480 -1.945 244 HB3 TRP 33 HB3 TRP 33 -11.127 -5.762 -0.835 245 HD1 TRP 33 HD1 TRP 33 -10.624 -5.081 -4.324 246 HE1 TRP 33 HE1 TRP 33 -12.666 -3.949 -5.414 247 HE3 TRP 33 HE3 TRP 33 -13.093 -3.611 -0.093 248 HZ2 TRP 33 HZ2 TRP 33 -15.004 -2.605 -4.582 249 HZ3 TRP 33 HZ3 TRP 33 -15.220 -2.404 -0.333 250 HH2 TRP 33 HH2 TRP 33 -16.150 -1.914 -2.538 251 H ARG 34 H ARG 34 -10.400 -5.507 1.436 252 HA ARG 34 HA ARG 34 -7.895 -4.973 2.734 253 HB2 ARG 34 HB2 ARG 34 -8.603 -6.622 4.391 254 HB3 ARG 34 HB3 ARG 34 -9.893 -5.480 4.050 255 HG2 ARG 34 HG2 ARG 34 -11.006 -7.119 2.648 256 HG3 ARG 34 HG3 ARG 34 -9.688 -8.261 2.915 257 HD2 ARG 34 HD2 ARG 34 -11.518 -7.135 5.033 258 HD3 ARG 34 HD3 ARG 34 -11.604 -8.757 4.349 259 HE ARG 34 HE ARG 34 -9.034 -8.227 5.445 260 HH11 ARG 34 HH11 ARG 34 -12.307 -9.089 6.323 261 HH12 ARG 34 HH12 ARG 34 -11.840 -9.876 7.798 262 HH21 ARG 34 HH21 ARG 34 -8.414 -9.251 7.396 263 HH22 ARG 34 HH22 ARG 34 -9.629 -9.966 8.407 264 H GLN 35 H GLN 35 -7.832 -6.091 0.034 265 HA GLN 35 HA GLN 35 -6.553 -8.699 0.463 266 HB2 GLN 35 HB2 GLN 35 -7.367 -7.400 -2.139 267 HB3 GLN 35 HB3 GLN 35 -6.903 -9.078 -1.888 268 HG2 GLN 35 HG2 GLN 35 -9.315 -7.810 -0.626 269 HG3 GLN 35 HG3 GLN 35 -9.349 -8.667 -2.158 270 HE21 GLN 35 HE21 GLN 35 -10.711 -9.267 0.340 271 HE22 GLN 35 HE22 GLN 35 -10.213 -10.863 0.788 272 H LYS 36 H LYS 36 -6.139 -5.496 -0.935 273 HA LYS 36 HA LYS 36 -3.308 -6.087 -1.456 274 HB2 LYS 36 HB2 LYS 36 -4.689 -3.581 -2.365 275 HB3 LYS 36 HB3 LYS 36 -3.299 -4.379 -3.050 276 HG2 LYS 36 HG2 LYS 36 -5.925 -5.770 -3.105 277 HG3 LYS 36 HG3 LYS 36 -5.611 -4.457 -4.242 278 HD2 LYS 36 HD2 LYS 36 -3.704 -6.740 -3.873 279 HD3 LYS 36 HD3 LYS 36 -5.050 -6.817 -5.009 280 HE2 LYS 36 HE2 LYS 36 -3.127 -4.522 -5.042 281 HE3 LYS 36 HE3 LYS 36 -2.755 -6.027 -5.865 282 HZ1 LYS 36 HZ1 LYS 36 -3.806 -4.485 -7.347 283 HZ2 LYS 36 HZ2 LYS 36 -5.094 -4.338 -6.369 284 HZ3 LYS 36 HZ3 LYS 36 -4.802 -5.751 -7.111 285 H THR 37 H THR 37 -1.736 -4.980 -0.375 286 HA THR 37 HA THR 37 -2.615 -3.149 1.736 287 HB THR 37 HB THR 37 0.118 -4.385 1.280 288 HG1 THR 37 HG1 THR 37 -1.056 -6.062 1.952 289 HG21 THR 37 HG21 THR 37 -1.004 -2.901 3.662 290 HG22 THR 37 HG22 THR 37 0.231 -2.301 2.553 291 HG23 THR 37 HG23 THR 37 0.576 -3.687 3.589 292 H CYS 38 H CYS 38 -1.855 -1.028 1.840 293 HA CYS 38 HA CYS 38 -0.968 0.094 -0.664 294 HB2 CYS 38 HB2 CYS 38 -2.580 1.382 0.539 295 HB3 CYS 38 HB3 CYS 38 -1.626 1.315 2.017 296 H CYS 39 H CYS 39 1.051 0.614 -1.187 297 HA CYS 39 HA CYS 39 3.070 0.513 0.947 298 HB2 CYS 39 HB2 CYS 39 3.344 -0.177 -1.983 299 HB3 CYS 39 HB3 CYS 39 4.684 -0.119 -0.840 300 H VAL 40 H VAL 40 3.623 2.474 1.497 301 HA VAL 40 HA VAL 40 4.261 4.420 -0.598 302 HB VAL 40 HB VAL 40 3.323 6.217 0.962 303 HG11 VAL 40 HG11 VAL 40 1.330 4.310 -0.257 304 HG12 VAL 40 HG12 VAL 40 2.271 5.501 -1.162 305 HG13 VAL 40 HG13 VAL 40 1.099 6.035 0.049 306 HG21 VAL 40 HG21 VAL 40 3.074 4.745 2.923 307 HG22 VAL 40 HG22 VAL 40 1.821 3.853 2.056 308 HG23 VAL 40 HG23 VAL 40 1.566 5.548 2.478 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 -13.282 4.874 -6.397 2 H2 LEU 1 H2 LEU 1 -13.799 3.764 -7.465 3 H3 LEU 1 H3 LEU 1 -12.631 4.809 -7.890 4 HA LEU 1 HA LEU 1 -11.713 2.652 -7.461 5 HB2 LEU 1 HB2 LEU 1 -11.024 4.884 -5.560 6 HB3 LEU 1 HB3 LEU 1 -10.119 3.386 -5.600 7 HG LEU 1 HG LEU 1 -10.433 5.265 -7.945 8 HD11 LEU 1 HD11 LEU 1 -9.108 6.249 -6.131 9 HD12 LEU 1 HD12 LEU 1 -8.116 5.872 -7.539 10 HD13 LEU 1 HD13 LEU 1 -8.072 4.822 -6.122 11 HD21 LEU 1 HD21 LEU 1 -8.644 3.908 -8.938 12 HD22 LEU 1 HD22 LEU 1 -10.092 2.952 -8.626 13 HD23 LEU 1 HD23 LEU 1 -8.702 2.825 -7.549 14 HA PRO 2 HA PRO 2 -13.127 -0.438 -4.690 15 HB2 PRO 2 HB2 PRO 2 -10.457 0.103 -3.445 16 HB3 PRO 2 HB3 PRO 2 -11.261 -1.444 -3.707 17 HG2 PRO 2 HG2 PRO 2 -9.397 -0.488 -5.403 18 HG3 PRO 2 HG3 PRO 2 -10.765 -1.470 -5.957 19 HD2 PRO 2 HD2 PRO 2 -10.205 1.341 -6.457 20 HD3 PRO 2 HD3 PRO 2 -11.451 0.309 -7.184 21 H ARG 3 H ARG 3 -11.002 1.259 -2.414 22 HA ARG 3 HA ARG 3 -13.135 2.478 -0.993 23 HB2 ARG 3 HB2 ARG 3 -12.907 1.070 1.089 24 HB3 ARG 3 HB3 ARG 3 -13.730 0.327 -0.260 25 HG2 ARG 3 HG2 ARG 3 -12.364 -1.394 -0.200 26 HG3 ARG 3 HG3 ARG 3 -10.968 -0.344 -0.407 27 HD2 ARG 3 HD2 ARG 3 -10.798 -1.680 1.635 28 HD3 ARG 3 HD3 ARG 3 -10.880 0.045 1.991 29 HE ARG 3 HE ARG 3 -13.372 -1.479 2.098 30 HH11 ARG 3 HH11 ARG 3 -10.748 0.098 3.799 31 HH12 ARG 3 HH12 ARG 3 -11.604 0.157 5.313 32 HH21 ARG 3 HH21 ARG 3 -14.495 -1.409 4.089 33 HH22 ARG 3 HH22 ARG 3 -13.737 -0.702 5.478 34 H ASP 4 H ASP 4 -9.859 1.131 -0.428 35 HA ASP 4 HA ASP 4 -9.233 3.595 1.038 36 HB2 ASP 4 HB2 ASP 4 -7.960 0.861 1.137 37 HB3 ASP 4 HB3 ASP 4 -7.257 2.277 1.906 38 H THR 5 H THR 5 -8.774 2.167 -1.929 39 HA THR 5 HA THR 5 -6.163 2.620 -2.653 40 HB THR 5 HB THR 5 -8.480 3.269 -4.457 41 HG1 THR 5 HG1 THR 5 -7.666 0.674 -4.547 42 HG21 THR 5 HG21 THR 5 -6.217 3.644 -5.340 43 HG22 THR 5 HG22 THR 5 -7.032 2.324 -6.179 44 HG23 THR 5 HG23 THR 5 -5.801 1.970 -4.968 45 H SER 6 H SER 6 -8.849 4.971 -2.759 46 HA SER 6 HA SER 6 -7.400 7.047 -3.979 47 HB2 SER 6 HB2 SER 6 -9.762 7.329 -2.106 48 HB3 SER 6 HB3 SER 6 -9.242 8.483 -3.334 49 HG SER 6 HG SER 6 -10.042 7.245 -4.881 50 H ARG 7 H ARG 7 -7.758 6.089 -0.635 51 HA ARG 7 HA ARG 7 -6.519 8.340 0.544 52 HB2 ARG 7 HB2 ARG 7 -7.817 6.769 1.870 53 HB3 ARG 7 HB3 ARG 7 -6.712 5.464 1.463 54 HG2 ARG 7 HG2 ARG 7 -4.912 6.696 2.654 55 HG3 ARG 7 HG3 ARG 7 -6.123 7.877 3.161 56 HD2 ARG 7 HD2 ARG 7 -6.210 4.920 3.752 57 HD3 ARG 7 HD3 ARG 7 -5.688 6.170 4.885 58 HE ARG 7 HE ARG 7 -8.188 6.944 4.112 59 HH11 ARG 7 HH11 ARG 7 -6.812 4.086 5.576 60 HH12 ARG 7 HH12 ARG 7 -8.280 3.628 6.374 61 HH21 ARG 7 HH21 ARG 7 -10.126 6.355 5.178 62 HH22 ARG 7 HH22 ARG 7 -10.167 4.913 6.139 63 H CYS 8 H CYS 8 -5.299 5.204 -0.546 64 HA CYS 8 HA CYS 8 -2.635 5.546 0.266 65 HB2 CYS 8 HB2 CYS 8 -3.547 3.371 -0.291 66 HB3 CYS 8 HB3 CYS 8 -3.811 3.874 -1.959 67 H VAL 9 H VAL 9 -4.257 6.291 -2.795 68 HA VAL 9 HA VAL 9 -1.779 7.143 -4.019 69 HB VAL 9 HB VAL 9 -3.600 6.066 -5.338 70 HG11 VAL 9 HG11 VAL 9 -5.528 6.999 -4.262 71 HG12 VAL 9 HG12 VAL 9 -5.569 7.377 -5.983 72 HG13 VAL 9 HG13 VAL 9 -5.101 8.617 -4.818 73 HG21 VAL 9 HG21 VAL 9 -1.953 7.390 -6.506 74 HG22 VAL 9 HG22 VAL 9 -2.875 8.860 -6.195 75 HG23 VAL 9 HG23 VAL 9 -3.533 7.614 -7.258 76 H GLY 10 H GLY 10 -4.070 8.540 -1.969 77 HA2 GLY 10 HA2 GLY 10 -3.737 11.271 -2.636 78 HA3 GLY 10 HA3 GLY 10 -4.136 10.646 -1.038 79 H TYR 11 H TYR 11 -1.772 8.920 -1.025 80 HA TYR 11 HA TYR 11 0.235 10.892 -0.290 81 HB2 TYR 11 HB2 TYR 11 0.104 7.889 0.087 82 HB3 TYR 11 HB3 TYR 11 1.454 8.884 0.619 83 HD1 TYR 11 HD1 TYR 11 -2.060 8.028 1.203 84 HD2 TYR 11 HD2 TYR 11 1.253 10.328 2.545 85 HE1 TYR 11 HE1 TYR 11 -3.237 8.479 3.310 86 HE2 TYR 11 HE2 TYR 11 0.088 10.785 4.661 87 HH TYR 11 HH TYR 11 -2.635 9.086 5.664 88 H HIS 12 H HIS 12 1.787 8.077 -1.126 89 HA HIS 12 HA HIS 12 2.234 8.612 -3.916 90 HB2 HIS 12 HB2 HIS 12 4.548 9.077 -2.006 91 HB3 HIS 12 HB3 HIS 12 4.616 9.144 -3.757 92 HD1 HIS 12 HD1 HIS 12 3.875 11.324 -4.886 93 HD2 HIS 12 HD2 HIS 12 3.430 11.330 -0.750 94 HE1 HIS 12 HE1 HIS 12 3.420 13.716 -4.260 95 HE2 HIS 12 HE2 HIS 12 3.005 13.672 -1.773 96 H GLY 13 H GLY 13 2.104 6.484 -4.489 97 HA2 GLY 13 HA2 GLY 13 4.203 4.727 -4.078 98 HA3 GLY 13 HA3 GLY 13 3.041 4.385 -2.808 99 H TYR 14 H TYR 14 2.106 2.525 -3.362 100 HA TYR 14 HA TYR 14 0.344 2.463 -5.579 101 HB2 TYR 14 HB2 TYR 14 1.372 0.634 -6.856 102 HB3 TYR 14 HB3 TYR 14 2.346 2.090 -6.891 103 HD1 TYR 14 HD1 TYR 14 4.417 2.186 -5.417 104 HD2 TYR 14 HD2 TYR 14 2.258 -1.412 -6.123 105 HE1 TYR 14 HE1 TYR 14 6.381 0.878 -4.730 106 HE2 TYR 14 HE2 TYR 14 4.213 -2.733 -5.434 107 HH TYR 14 HH TYR 14 6.964 -1.292 -3.929 108 H CYS 15 H CYS 15 -0.482 0.158 -5.926 109 HA CYS 15 HA CYS 15 -0.998 -0.934 -3.243 110 HB2 CYS 15 HB2 CYS 15 -2.689 -0.962 -5.750 111 HB3 CYS 15 HB3 CYS 15 -3.130 -1.751 -4.240 112 H ILE 16 H ILE 16 -0.551 -3.025 -2.809 113 HA ILE 16 HA ILE 16 0.122 -4.764 -5.098 114 HB ILE 16 HB ILE 16 1.816 -5.857 -3.834 115 HG12 ILE 16 HG12 ILE 16 1.013 -4.104 -1.512 116 HG13 ILE 16 HG13 ILE 16 0.684 -5.822 -1.656 117 HG21 ILE 16 HG21 ILE 16 3.424 -4.072 -3.441 118 HG22 ILE 16 HG22 ILE 16 2.116 -2.888 -3.450 119 HG23 ILE 16 HG23 ILE 16 2.501 -3.788 -4.916 120 HD11 ILE 16 HD11 ILE 16 2.535 -5.489 -0.181 121 HD12 ILE 16 HD12 ILE 16 3.383 -4.529 -1.394 122 HD13 ILE 16 HD13 ILE 16 3.108 -6.250 -1.663 123 H ARG 17 H ARG 17 -0.643 -6.830 -5.044 124 HA ARG 17 HA ARG 17 -2.421 -7.580 -2.882 125 HB2 ARG 17 HB2 ARG 17 -2.355 -9.816 -4.383 126 HB3 ARG 17 HB3 ARG 17 -3.441 -8.475 -4.685 127 HG2 ARG 17 HG2 ARG 17 -2.509 -9.182 -6.757 128 HG3 ARG 17 HG3 ARG 17 -1.834 -7.610 -6.362 129 HD2 ARG 17 HD2 ARG 17 -0.291 -9.976 -5.485 130 HD3 ARG 17 HD3 ARG 17 -0.369 -9.689 -7.218 131 HE ARG 17 HE ARG 17 0.823 -7.882 -5.218 132 HH11 ARG 17 HH11 ARG 17 0.302 -8.797 -8.560 133 HH12 ARG 17 HH12 ARG 17 1.590 -7.804 -9.161 134 HH21 ARG 17 HH21 ARG 17 2.538 -6.598 -6.011 135 HH22 ARG 17 HH22 ARG 17 2.855 -6.550 -7.715 136 H SER 18 H SER 18 -1.021 -7.700 -1.185 137 HA SER 18 HA SER 18 0.181 -10.154 -0.589 138 HB2 SER 18 HB2 SER 18 1.913 -9.418 -2.202 139 HB3 SER 18 HB3 SER 18 2.128 -7.928 -1.289 140 HG SER 18 HG SER 18 3.198 -10.375 -0.865 141 H LYS 19 H LYS 19 1.605 -9.816 1.481 142 HA LYS 19 HA LYS 19 0.335 -7.684 3.067 143 HB2 LYS 19 HB2 LYS 19 1.374 -10.388 3.935 144 HB3 LYS 19 HB3 LYS 19 0.777 -9.153 5.033 145 HG2 LYS 19 HG2 LYS 19 -1.041 -9.942 2.848 146 HG3 LYS 19 HG3 LYS 19 -0.730 -11.157 4.087 147 HD2 LYS 19 HD2 LYS 19 -2.701 -9.843 4.648 148 HD3 LYS 19 HD3 LYS 19 -1.413 -9.556 5.818 149 HE2 LYS 19 HE2 LYS 19 -0.840 -7.475 4.636 150 HE3 LYS 19 HE3 LYS 19 -2.168 -7.760 3.512 151 HZ1 LYS 19 HZ1 LYS 19 -2.747 -6.248 5.305 152 HZ2 LYS 19 HZ2 LYS 19 -2.484 -7.410 6.408 153 HZ3 LYS 19 HZ3 LYS 19 -3.687 -7.576 5.326 154 H VAL 20 H VAL 20 3.174 -8.542 1.629 155 HA VAL 20 HA VAL 20 4.779 -7.108 3.645 156 HB VAL 20 HB VAL 20 5.765 -9.214 1.712 157 HG11 VAL 20 HG11 VAL 20 7.193 -7.772 3.945 158 HG12 VAL 20 HG12 VAL 20 7.448 -7.522 2.218 159 HG13 VAL 20 HG13 VAL 20 7.866 -9.068 2.957 160 HG21 VAL 20 HG21 VAL 20 5.325 -9.369 4.692 161 HG22 VAL 20 HG22 VAL 20 6.091 -10.611 3.705 162 HG23 VAL 20 HG23 VAL 20 4.393 -10.210 3.453 163 H CYS 21 H CYS 21 5.457 -5.193 2.989 164 HA CYS 21 HA CYS 21 5.377 -4.537 0.153 165 HB2 CYS 21 HB2 CYS 21 5.575 -2.872 2.658 166 HB3 CYS 21 HB3 CYS 21 5.809 -2.183 1.055 167 HA PRO 22 HA PRO 22 9.823 -4.788 -0.237 168 HB2 PRO 22 HB2 PRO 22 9.987 -3.344 -2.551 169 HB3 PRO 22 HB3 PRO 22 9.566 -5.059 -2.490 170 HG2 PRO 22 HG2 PRO 22 7.791 -2.678 -2.775 171 HG3 PRO 22 HG3 PRO 22 7.682 -4.265 -3.553 172 HD2 PRO 22 HD2 PRO 22 6.121 -3.554 -1.460 173 HD3 PRO 22 HD3 PRO 22 6.641 -5.227 -1.747 174 H LYS 23 H LYS 23 11.618 -3.326 -0.187 175 HA LYS 23 HA LYS 23 10.840 -0.791 1.032 176 HB2 LYS 23 HB2 LYS 23 13.292 -2.506 1.279 177 HB3 LYS 23 HB3 LYS 23 13.328 -0.812 1.760 178 HG2 LYS 23 HG2 LYS 23 12.919 -2.214 3.679 179 HG3 LYS 23 HG3 LYS 23 11.497 -1.233 3.338 180 HD2 LYS 23 HD2 LYS 23 10.519 -3.199 2.150 181 HD3 LYS 23 HD3 LYS 23 11.894 -4.154 2.708 182 HE2 LYS 23 HE2 LYS 23 11.281 -3.775 5.007 183 HE3 LYS 23 HE3 LYS 23 9.996 -2.671 4.520 184 HZ1 LYS 23 HZ1 LYS 23 8.918 -4.534 3.442 185 HZ2 LYS 23 HZ2 LYS 23 9.122 -4.825 5.029 186 HZ3 LYS 23 HZ3 LYS 23 10.093 -5.544 3.945 187 HA PRO 24 HA PRO 24 11.793 0.767 1.745 188 HB2 PRO 24 HB2 PRO 24 11.996 3.411 1.608 189 HB3 PRO 24 HB3 PRO 24 13.440 2.392 1.620 190 HG2 PRO 24 HG2 PRO 24 12.118 3.782 -0.667 191 HG3 PRO 24 HG3 PRO 24 13.844 3.564 -0.335 192 HD2 PRO 24 HD2 PRO 24 12.289 2.005 -2.067 193 HD3 PRO 24 HD3 PRO 24 13.887 1.576 -1.431 194 H PHE 25 H PHE 25 9.696 0.325 1.951 195 HA PHE 25 HA PHE 25 7.796 2.442 1.493 196 HB2 PHE 25 HB2 PHE 25 7.520 -0.263 0.187 197 HB3 PHE 25 HB3 PHE 25 6.116 0.707 0.588 198 HD1 PHE 25 HD1 PHE 25 8.862 0.241 -1.738 199 HD2 PHE 25 HD2 PHE 25 5.760 2.869 -0.501 200 HE1 PHE 25 HE1 PHE 25 9.032 1.446 -3.877 201 HE2 PHE 25 HE2 PHE 25 5.914 4.083 -2.628 202 HZ PHE 25 HZ PHE 25 7.560 3.371 -4.326 203 H ALA 26 H ALA 26 5.922 2.170 2.791 204 HA ALA 26 HA ALA 26 6.279 0.166 4.924 205 HB1 ALA 26 HB1 ALA 26 4.899 2.846 5.079 206 HB2 ALA 26 HB2 ALA 26 6.510 2.479 5.697 207 HB3 ALA 26 HB3 ALA 26 5.095 1.699 6.404 208 H ALA 27 H ALA 27 4.503 -1.007 5.620 209 HA ALA 27 HA ALA 27 2.462 -1.439 3.664 210 HB1 ALA 27 HB1 ALA 27 1.617 -3.131 5.208 211 HB2 ALA 27 HB2 ALA 27 2.704 -2.539 6.464 212 HB3 ALA 27 HB3 ALA 27 3.362 -3.282 5.008 213 H PHE 28 H PHE 28 1.351 0.451 3.467 214 HA PHE 28 HA PHE 28 0.300 1.845 5.758 215 HB2 PHE 28 HB2 PHE 28 1.164 3.017 3.741 216 HB3 PHE 28 HB3 PHE 28 -0.143 2.325 2.797 217 HD1 PHE 28 HD1 PHE 28 -2.540 2.929 3.502 218 HD2 PHE 28 HD2 PHE 28 0.908 5.054 4.809 219 HE1 PHE 28 HE1 PHE 28 -3.946 4.866 4.048 220 HE2 PHE 28 HE2 PHE 28 -0.498 6.987 5.373 221 HZ PHE 28 HZ PHE 28 -2.929 6.896 4.987 222 H GLY 29 H GLY 29 -1.098 0.338 6.691 223 HA2 GLY 29 HA2 GLY 29 -3.115 -0.657 7.095 224 HA3 GLY 29 HA3 GLY 29 -3.761 0.717 6.214 225 H THR 30 H THR 30 -4.769 0.363 4.377 226 HA THR 30 HA THR 30 -4.325 -2.132 2.928 227 HB THR 30 HB THR 30 -6.872 -2.293 2.682 228 HG1 THR 30 HG1 THR 30 -7.810 -0.621 3.666 229 HG21 THR 30 HG21 THR 30 -7.036 -3.609 4.766 230 HG22 THR 30 HG22 THR 30 -5.525 -2.879 5.323 231 HG23 THR 30 HG23 THR 30 -5.532 -3.915 3.893 232 H CYS 31 H CYS 31 -5.088 -2.143 0.851 233 HA CYS 31 HA CYS 31 -5.600 0.469 -0.395 234 HB2 CYS 31 HB2 CYS 31 -3.868 -1.769 -1.118 235 HB3 CYS 31 HB3 CYS 31 -4.933 -1.282 -2.428 236 H SER 32 H SER 32 -6.499 -0.662 -2.847 237 HA SER 32 HA SER 32 -9.099 -1.039 -2.836 238 HB2 SER 32 HB2 SER 32 -7.369 -3.050 -4.240 239 HB3 SER 32 HB3 SER 32 -8.876 -2.333 -4.800 240 HG SER 32 HG SER 32 -7.322 -1.224 -5.862 241 H TRP 33 H TRP 33 -10.262 -1.953 -1.287 242 HA TRP 33 HA TRP 33 -11.161 -3.410 0.180 243 HB2 TRP 33 HB2 TRP 33 -10.101 -5.514 -1.712 244 HB3 TRP 33 HB3 TRP 33 -11.440 -5.690 -0.579 245 HD1 TRP 33 HD1 TRP 33 -10.947 -5.213 -4.101 246 HE1 TRP 33 HE1 TRP 33 -12.964 -4.070 -5.229 247 HE3 TRP 33 HE3 TRP 33 -13.289 -3.406 0.067 248 HZ2 TRP 33 HZ2 TRP 33 -15.237 -2.582 -4.442 249 HZ3 TRP 33 HZ3 TRP 33 -15.360 -2.113 -0.206 250 HH2 TRP 33 HH2 TRP 33 -16.315 -1.718 -2.422 251 H ARG 34 H ARG 34 -10.645 -5.515 1.537 252 HA ARG 34 HA ARG 34 -8.131 -4.994 2.841 253 HB2 ARG 34 HB2 ARG 34 -8.824 -6.675 4.453 254 HB3 ARG 34 HB3 ARG 34 -10.153 -5.574 4.124 255 HG2 ARG 34 HG2 ARG 34 -11.031 -7.296 2.508 256 HG3 ARG 34 HG3 ARG 34 -9.817 -8.400 3.161 257 HD2 ARG 34 HD2 ARG 34 -11.926 -8.750 4.289 258 HD3 ARG 34 HD3 ARG 34 -10.756 -8.060 5.412 259 HE ARG 34 HE ARG 34 -12.288 -6.017 4.180 260 HH11 ARG 34 HH11 ARG 34 -12.476 -8.494 6.641 261 HH12 ARG 34 HH12 ARG 34 -13.707 -7.683 7.550 262 HH21 ARG 34 HH21 ARG 34 -13.906 -4.938 5.372 263 HH22 ARG 34 HH22 ARG 34 -14.535 -5.661 6.821 264 H GLN 35 H GLN 35 -8.133 -5.999 0.096 265 HA GLN 35 HA GLN 35 -6.904 -8.645 0.359 266 HB2 GLN 35 HB2 GLN 35 -7.766 -7.149 -2.122 267 HB3 GLN 35 HB3 GLN 35 -7.269 -8.834 -2.031 268 HG2 GLN 35 HG2 GLN 35 -9.649 -7.736 -0.575 269 HG3 GLN 35 HG3 GLN 35 -9.731 -8.431 -2.186 270 HE21 GLN 35 HE21 GLN 35 -9.211 -9.060 1.184 271 HE22 GLN 35 HE22 GLN 35 -9.355 -10.780 1.102 272 H LYS 36 H LYS 36 -6.394 -5.376 -0.852 273 HA LYS 36 HA LYS 36 -3.613 -6.084 -1.472 274 HB2 LYS 36 HB2 LYS 36 -5.016 -3.568 -2.361 275 HB3 LYS 36 HB3 LYS 36 -3.543 -4.271 -3.002 276 HG2 LYS 36 HG2 LYS 36 -4.974 -6.233 -3.740 277 HG3 LYS 36 HG3 LYS 36 -6.370 -5.214 -3.375 278 HD2 LYS 36 HD2 LYS 36 -5.874 -5.029 -5.716 279 HD3 LYS 36 HD3 LYS 36 -5.455 -3.507 -4.930 280 HE2 LYS 36 HE2 LYS 36 -3.127 -4.039 -4.976 281 HE3 LYS 36 HE3 LYS 36 -3.452 -5.687 -5.521 282 HZ1 LYS 36 HZ1 LYS 36 -3.975 -3.239 -7.060 283 HZ2 LYS 36 HZ2 LYS 36 -4.306 -4.746 -7.565 284 HZ3 LYS 36 HZ3 LYS 36 -2.764 -4.291 -7.331 285 H THR 37 H THR 37 -1.952 -4.952 -0.582 286 HA THR 37 HA THR 37 -2.627 -3.203 1.677 287 HB THR 37 HB THR 37 0.016 -4.526 0.982 288 HG1 THR 37 HG1 THR 37 -0.944 -6.234 1.771 289 HG21 THR 37 HG21 THR 37 -0.896 -3.141 3.509 290 HG22 THR 37 HG22 THR 37 0.295 -2.526 2.362 291 HG23 THR 37 HG23 THR 37 0.639 -3.984 3.295 292 H CYS 38 H CYS 38 -1.752 -1.107 1.801 293 HA CYS 38 HA CYS 38 -0.908 0.020 -0.733 294 HB2 CYS 38 HB2 CYS 38 -2.516 1.317 0.475 295 HB3 CYS 38 HB3 CYS 38 -1.553 1.246 1.949 296 H CYS 39 H CYS 39 1.115 0.651 -1.227 297 HA CYS 39 HA CYS 39 3.126 0.477 0.917 298 HB2 CYS 39 HB2 CYS 39 3.497 -0.134 -2.023 299 HB3 CYS 39 HB3 CYS 39 4.755 -0.206 -0.788 300 H VAL 40 H VAL 40 3.669 2.441 1.479 301 HA VAL 40 HA VAL 40 4.376 4.381 -0.594 302 HB VAL 40 HB VAL 40 3.367 6.194 0.873 303 HG11 VAL 40 HG11 VAL 40 2.362 5.426 -1.248 304 HG12 VAL 40 HG12 VAL 40 1.155 5.958 -0.074 305 HG13 VAL 40 HG13 VAL 40 1.425 4.235 -0.343 306 HG21 VAL 40 HG21 VAL 40 3.087 4.819 2.880 307 HG22 VAL 40 HG22 VAL 40 1.883 3.851 2.026 308 HG23 VAL 40 HG23 VAL 40 1.570 5.555 2.364
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