NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601698 | 2mzg | 25487 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.601 0.665 -1.936 3 HB1 ALA 1 HB1 ALA 1 3.903 0.913 -1.920 4 HB2 ALA 1 HB2 ALA 1 3.464 1.314 -0.259 5 HB3 ALA 1 HB3 ALA 1 4.126 -0.276 -0.637 6 H LYS 2 H LYS 2 0.372 -1.849 -1.053 7 HA LYS 2 HA LYS 2 1.944 -3.735 -2.684 8 HB2 LYS 2 HB2 LYS 2 1.343 -4.102 -0.083 9 HB3 LYS 2 HB3 LYS 2 -0.099 -4.795 -0.814 10 HG2 LYS 2 HG2 LYS 2 1.380 -6.252 -2.189 11 HG3 LYS 2 HG3 LYS 2 2.754 -5.636 -1.268 12 HD2 LYS 2 HD2 LYS 2 2.061 -6.667 0.695 13 HD3 LYS 2 HD3 LYS 2 0.390 -6.811 0.145 14 HE2 LYS 2 HE2 LYS 2 0.778 -8.753 -0.923 15 HE3 LYS 2 HE3 LYS 2 2.359 -8.233 -1.504 16 HZ1 LYS 2 HZ1 LYS 2 3.320 -8.747 0.609 17 HZ2 LYS 2 HZ2 LYS 2 2.454 -10.101 0.083 18 HZ3 LYS 2 HZ3 LYS 2 1.807 -9.097 1.282 19 H ALA 3 H ALA 3 -1.358 -2.832 -1.724 20 HA ALA 3 HA ALA 3 -2.656 -4.363 -3.721 21 HB1 ALA 3 HB1 ALA 3 -3.693 -1.901 -2.322 22 HB2 ALA 3 HB2 ALA 3 -4.648 -3.144 -3.131 23 HB3 ALA 3 HB3 ALA 3 -3.754 -3.536 -1.662 24 H CYS 4 H CYS 4 -4.271 -3.030 -5.230 25 HA CYS 4 HA CYS 4 -2.555 -1.263 -6.842 26 HB2 CYS 4 HB2 CYS 4 -3.902 -1.939 -8.769 27 HB3 CYS 4 HB3 CYS 4 -3.223 -3.349 -7.961 28 H THR 5 H THR 5 -4.264 -0.013 -8.452 29 HA THR 5 HA THR 5 -5.939 1.549 -6.601 30 HB THR 5 HB THR 5 -4.776 2.455 -9.241 31 HG1 THR 5 HG1 THR 5 -3.062 2.315 -7.872 32 HG21 THR 5 HG21 THR 5 -6.932 3.492 -8.060 33 HG22 THR 5 HG22 THR 5 -5.741 4.492 -8.892 34 HG23 THR 5 HG23 THR 5 -5.691 4.336 -7.136 35 HA PRO 6 HA PRO 6 -8.962 -0.539 -9.385 36 HB2 PRO 6 HB2 PRO 6 -10.850 -0.841 -7.457 37 HB3 PRO 6 HB3 PRO 6 -9.532 -1.994 -7.700 38 HG2 PRO 6 HG2 PRO 6 -9.770 0.216 -5.694 39 HG3 PRO 6 HG3 PRO 6 -9.181 -1.441 -5.468 40 HD2 PRO 6 HD2 PRO 6 -7.512 0.672 -5.747 41 HD3 PRO 6 HD3 PRO 6 -7.100 -0.953 -6.330 42 H LEU 7 H LEU 7 -11.565 -0.013 -9.151 43 HA LEU 7 HA LEU 7 -11.837 2.611 -10.105 44 HB2 LEU 7 HB2 LEU 7 -13.355 0.464 -10.307 45 HB3 LEU 7 HB3 LEU 7 -14.174 1.192 -8.927 46 HG LEU 7 HG LEU 7 -14.406 3.279 -10.376 47 HD11 LEU 7 HD11 LEU 7 -12.859 2.873 -12.112 48 HD12 LEU 7 HD12 LEU 7 -14.458 2.719 -12.839 49 HD13 LEU 7 HD13 LEU 7 -13.529 1.274 -12.439 50 HD21 LEU 7 HD21 LEU 7 -16.180 1.539 -9.826 51 HD22 LEU 7 HD22 LEU 7 -15.872 0.877 -11.431 52 HD23 LEU 7 HD23 LEU 7 -16.453 2.533 -11.257 53 H LEU 8 H LEU 8 -12.582 4.491 -9.193 54 HA LEU 8 HA LEU 8 -13.037 6.041 -7.590 55 HB2 LEU 8 HB2 LEU 8 -13.755 3.840 -5.689 56 HB3 LEU 8 HB3 LEU 8 -14.404 5.476 -5.783 57 HG LEU 8 HG LEU 8 -14.949 3.248 -7.745 58 HD11 LEU 8 HD11 LEU 8 -16.880 2.803 -6.659 59 HD12 LEU 8 HD12 LEU 8 -17.087 4.466 -6.111 60 HD13 LEU 8 HD13 LEU 8 -15.963 3.395 -5.273 61 HD21 LEU 8 HD21 LEU 8 -14.930 5.545 -8.711 62 HD22 LEU 8 HD22 LEU 8 -16.202 5.984 -7.570 63 HD23 LEU 8 HD23 LEU 8 -16.499 4.743 -8.788 64 H HIS 9 H HIS 9 -10.474 5.657 -7.822 65 HA HIS 9 HA HIS 9 -9.487 5.846 -5.087 66 HB2 HIS 9 HB2 HIS 9 -8.703 3.738 -7.037 67 HB3 HIS 9 HB3 HIS 9 -7.425 4.449 -6.055 68 HD1 HIS 9 HD1 HIS 9 -7.144 3.513 -3.767 69 HD2 HIS 9 HD2 HIS 9 -10.842 2.564 -5.405 70 HE1 HIS 9 HE1 HIS 9 -8.215 1.928 -2.135 71 H ASP 10 H ASP 10 -7.179 6.639 -5.064 72 HA ASP 10 HA ASP 10 -6.978 8.896 -6.830 73 HB2 ASP 10 HB2 ASP 10 -5.596 7.943 -4.391 74 HB3 ASP 10 HB3 ASP 10 -4.638 8.944 -5.479 75 H CYS 11 H CYS 11 -6.204 8.723 -8.820 76 HA CYS 11 HA CYS 11 -3.879 6.972 -9.272 77 HB2 CYS 11 HB2 CYS 11 -4.743 6.469 -11.511 78 HB3 CYS 11 HB3 CYS 11 -5.884 5.968 -10.267 79 H SER 12 H SER 12 -4.652 10.031 -8.953 80 HA SER 12 HA SER 12 -3.930 11.371 -11.283 81 HB2 SER 12 HB2 SER 12 -4.869 12.321 -9.079 82 HB3 SER 12 HB3 SER 12 -3.190 12.377 -8.541 83 HG SER 12 HG SER 12 -2.723 13.794 -10.188 84 H HIS 13 H HIS 13 -1.977 9.713 -8.943 85 HA HIS 13 HA HIS 13 0.506 10.902 -9.791 86 HB2 HIS 13 HB2 HIS 13 -0.235 8.676 -7.914 87 HB3 HIS 13 HB3 HIS 13 1.442 8.923 -8.392 88 HD1 HIS 13 HD1 HIS 13 1.155 12.126 -8.370 89 HD2 HIS 13 HD2 HIS 13 0.201 9.502 -5.293 90 HE1 HIS 13 HE1 HIS 13 1.270 13.492 -6.261 91 H ASP 14 H ASP 14 -1.484 8.307 -10.811 92 HA ASP 14 HA ASP 14 0.247 7.732 -13.018 93 HB2 ASP 14 HB2 ASP 14 0.074 5.846 -10.709 94 HB3 ASP 14 HB3 ASP 14 0.152 5.176 -12.336 95 H ARG 15 H ARG 15 -1.100 7.536 -14.669 96 HA ARG 15 HA ARG 15 -3.872 6.825 -14.227 97 HB2 ARG 15 HB2 ARG 15 -2.450 7.525 -16.801 98 HB3 ARG 15 HB3 ARG 15 -4.190 7.419 -16.572 99 HG2 ARG 15 HG2 ARG 15 -4.299 9.396 -15.414 100 HG3 ARG 15 HG3 ARG 15 -2.620 9.297 -14.877 101 HD2 ARG 15 HD2 ARG 15 -3.446 9.757 -17.737 102 HD3 ARG 15 HD3 ARG 15 -3.080 11.056 -16.603 103 HE ARG 15 HE ARG 15 -1.205 9.382 -17.969 104 HH11 ARG 15 HH11 ARG 15 -1.744 11.254 -15.084 105 HH12 ARG 15 HH12 ARG 15 -0.059 11.529 -14.790 106 HH21 ARG 15 HH21 ARG 15 1.017 9.736 -17.593 107 HH22 ARG 15 HH22 ARG 15 1.511 10.665 -16.218 108 H HIS 16 H HIS 16 -0.980 5.291 -15.246 109 HA HIS 16 HA HIS 16 -2.476 3.044 -16.406 110 HB2 HIS 16 HB2 HIS 16 0.327 4.040 -16.709 111 HB3 HIS 16 HB3 HIS 16 0.003 2.328 -16.967 112 HD1 HIS 16 HD1 HIS 16 0.211 2.176 -19.455 113 HD2 HIS 16 HD2 HIS 16 -2.292 5.269 -18.259 114 HE1 HIS 16 HE1 HIS 16 -0.834 3.050 -21.569 115 H SER 17 H SER 17 -2.010 3.781 -13.483 116 HA SER 17 HA SER 17 -0.572 1.387 -12.594 117 HB2 SER 17 HB2 SER 17 -1.258 4.003 -11.329 118 HB3 SER 17 HB3 SER 17 -1.063 2.597 -10.283 119 HG SER 17 HG SER 17 1.023 2.457 -10.825 120 H CYS 18 H CYS 18 -3.727 2.695 -12.920 121 HA CYS 18 HA CYS 18 -5.172 1.472 -10.916 122 HB2 CYS 18 HB2 CYS 18 -5.791 2.296 -13.713 123 HB3 CYS 18 HB3 CYS 18 -6.962 1.282 -12.877 124 H CYS 19 H CYS 19 -6.503 -0.456 -10.930 125 HA CYS 19 HA CYS 19 -5.032 -2.775 -11.601 126 HB2 CYS 19 HB2 CYS 19 -7.979 -2.680 -10.948 127 HB3 CYS 19 HB3 CYS 19 -6.861 -4.016 -10.690 128 H ARG 20 H ARG 20 -5.658 -4.503 -13.025 129 HA ARG 20 HA ARG 20 -6.512 -3.520 -15.595 130 HB2 ARG 20 HB2 ARG 20 -4.653 -5.201 -15.212 131 HB3 ARG 20 HB3 ARG 20 -5.906 -6.379 -14.844 132 HG2 ARG 20 HG2 ARG 20 -6.720 -6.373 -17.033 133 HG3 ARG 20 HG3 ARG 20 -5.898 -4.863 -17.428 134 HD2 ARG 20 HD2 ARG 20 -3.726 -6.130 -17.026 135 HD3 ARG 20 HD3 ARG 20 -4.706 -7.596 -17.048 136 HE ARG 20 HE ARG 20 -4.921 -7.386 -19.324 137 HH11 ARG 20 HH11 ARG 20 -3.645 -4.430 -17.998 138 HH12 ARG 20 HH12 ARG 20 -3.278 -3.742 -19.545 139 HH21 ARG 20 HH21 ARG 20 -4.442 -6.490 -21.366 140 HH22 ARG 20 HH22 ARG 20 -3.732 -4.914 -21.460 141 H GLY 21 H GLY 21 -8.153 -4.669 -16.895 142 HA2 GLY 21 HA2 GLY 21 -10.431 -5.467 -15.192 143 HA3 GLY 21 HA3 GLY 21 -10.595 -4.610 -16.717 144 H ASP 22 H ASP 22 -12.148 -6.612 -16.757 145 HA ASP 22 HA ASP 22 -10.965 -9.134 -17.391 146 HB2 ASP 22 HB2 ASP 22 -13.667 -8.024 -17.166 147 HB3 ASP 22 HB3 ASP 22 -13.510 -9.231 -18.439 148 H MET 23 H MET 23 -12.089 -6.372 -19.241 149 HA MET 23 HA MET 23 -11.343 -7.756 -21.728 150 HB2 MET 23 HB2 MET 23 -13.004 -5.253 -21.396 151 HB3 MET 23 HB3 MET 23 -12.705 -6.113 -22.900 152 HG2 MET 23 HG2 MET 23 -14.060 -7.905 -22.287 153 HG3 MET 23 HG3 MET 23 -14.031 -7.461 -20.582 154 HE1 MET 23 HE1 MET 23 -16.491 -7.140 -23.785 155 HE2 MET 23 HE2 MET 23 -16.226 -8.342 -22.521 156 HE3 MET 23 HE3 MET 23 -17.618 -7.261 -22.433 157 H PHE 24 H PHE 24 -11.029 -4.660 -20.019 158 HA PHE 24 HA PHE 24 -8.393 -4.311 -21.207 159 HB2 PHE 24 HB2 PHE 24 -10.407 -2.065 -21.323 160 HB3 PHE 24 HB3 PHE 24 -8.805 -2.116 -22.052 161 HD1 PHE 24 HD1 PHE 24 -12.249 -3.376 -22.278 162 HD2 PHE 24 HD2 PHE 24 -8.432 -3.182 -24.150 163 HE1 PHE 24 HE1 PHE 24 -13.234 -4.227 -24.366 164 HE2 PHE 24 HE2 PHE 24 -9.410 -4.032 -26.241 165 HZ PHE 24 HZ PHE 24 -11.815 -4.555 -26.351 166 H LYS 25 H LYS 25 -7.425 -2.156 -20.277 167 HA LYS 25 HA LYS 25 -7.594 -2.407 -17.403 168 HB2 LYS 25 HB2 LYS 25 -5.392 -2.199 -18.265 169 HB3 LYS 25 HB3 LYS 25 -5.829 -0.812 -19.253 170 HG2 LYS 25 HG2 LYS 25 -5.657 0.649 -17.528 171 HG3 LYS 25 HG3 LYS 25 -6.159 -0.540 -16.324 172 HD2 LYS 25 HD2 LYS 25 -3.993 -0.601 -15.751 173 HD3 LYS 25 HD3 LYS 25 -3.781 -1.572 -17.210 174 HE2 LYS 25 HE2 LYS 25 -3.478 1.423 -17.004 175 HE3 LYS 25 HE3 LYS 25 -2.164 0.253 -17.122 176 HZ1 LYS 25 HZ1 LYS 25 -3.971 1.231 -19.185 177 HZ2 LYS 25 HZ2 LYS 25 -3.556 -0.406 -19.269 178 HZ3 LYS 25 HZ3 LYS 25 -2.346 0.775 -19.296 179 H TYR 26 H TYR 26 -8.181 -0.796 -15.953 180 HA TYR 26 HA TYR 26 -10.348 0.818 -16.632 181 HB2 TYR 26 HB2 TYR 26 -8.452 0.902 -14.287 182 HB3 TYR 26 HB3 TYR 26 -9.844 1.972 -14.415 183 HD1 TYR 26 HD1 TYR 26 -11.933 0.248 -15.463 184 HD2 TYR 26 HD2 TYR 26 -8.910 -0.615 -12.596 185 HE1 TYR 26 HE1 TYR 26 -13.366 -1.495 -14.485 186 HE2 TYR 26 HE2 TYR 26 -10.334 -2.361 -11.611 187 HH TYR 26 HH TYR 26 -13.652 -2.840 -12.671 188 H VAL 27 H VAL 27 -10.440 3.229 -16.317 189 HA VAL 27 HA VAL 27 -8.108 4.499 -17.599 190 HB VAL 27 HB VAL 27 -9.968 6.227 -18.299 191 HG11 VAL 27 HG11 VAL 27 -8.946 5.390 -20.127 192 HG12 VAL 27 HG12 VAL 27 -9.011 3.729 -19.535 193 HG13 VAL 27 HG13 VAL 27 -10.435 4.458 -20.279 194 HG21 VAL 27 HG21 VAL 27 -12.116 5.237 -18.737 195 HG22 VAL 27 HG22 VAL 27 -11.569 3.677 -18.122 196 HG23 VAL 27 HG23 VAL 27 -11.742 5.046 -17.024 197 H CYS 28 H CYS 28 -7.285 6.317 -16.711 198 HA CYS 28 HA CYS 28 -8.342 7.115 -14.113 199 HB2 CYS 28 HB2 CYS 28 -5.910 6.613 -14.421 200 HB3 CYS 28 HB3 CYS 28 -5.800 8.013 -15.483 201 H ASP 29 H ASP 29 -9.781 8.698 -14.038 202 HA ASP 29 HA ASP 29 -9.866 10.699 -16.158 203 HB2 ASP 29 HB2 ASP 29 -11.757 9.829 -14.002 204 HB3 ASP 29 HB3 ASP 29 -11.955 11.415 -14.743 205 H CYS 30 H CYS 30 -9.809 12.936 -15.766 206 HA CYS 30 HA CYS 30 -8.778 13.751 -13.136 207 HB2 CYS 30 HB2 CYS 30 -7.612 14.320 -15.848 208 HB3 CYS 30 HB3 CYS 30 -7.329 15.412 -14.496 209 H PHE 31 H PHE 31 -9.201 15.918 -12.540 210 HA PHE 31 HA PHE 31 -10.965 17.474 -14.265 211 HB2 PHE 31 HB2 PHE 31 -11.718 16.515 -11.501 212 HB3 PHE 31 HB3 PHE 31 -12.540 17.836 -12.325 213 HD1 PHE 31 HD2 PHE 31 -13.062 17.084 -14.939 214 HD2 PHE 31 HD1 PHE 31 -12.897 14.561 -11.515 215 HE1 PHE 31 HE2 PHE 31 -14.532 15.465 -16.066 216 HE2 PHE 31 HE1 PHE 31 -14.366 12.937 -12.637 217 HZ PHE 31 HZ PHE 31 -15.187 13.388 -14.914 218 H TYR 32 H TYR 32 -11.011 19.684 -13.792 219 HA TYR 32 HA TYR 32 -9.043 20.570 -11.785 220 HB2 TYR 32 HB2 TYR 32 -9.626 22.028 -14.360 221 HB3 TYR 32 HB3 TYR 32 -8.291 22.291 -13.243 222 HD1 TYR 32 HD2 TYR 32 -6.575 20.398 -12.994 223 HD2 TYR 32 HD1 TYR 32 -9.370 20.605 -16.195 224 HE1 TYR 32 HE2 TYR 32 -5.165 18.876 -14.315 225 HE2 TYR 32 HE1 TYR 32 -7.968 19.082 -17.525 226 HH TYR 32 HH TYR 32 -5.079 17.583 -16.160 227 HA PRO 33 HA PRO 33 -13.149 22.435 -10.750 228 HB2 PRO 33 HB2 PRO 33 -12.881 22.081 -8.072 229 HB3 PRO 33 HB3 PRO 33 -13.523 20.833 -9.146 230 HG2 PRO 33 HG2 PRO 33 -10.765 21.129 -8.021 231 HG3 PRO 33 HG3 PRO 33 -11.758 19.668 -8.180 232 HD2 PRO 33 HD2 PRO 33 -9.768 20.274 -9.915 233 HD3 PRO 33 HD3 PRO 33 -11.234 19.404 -10.409 234 H GLU 34 H GLU 34 -11.848 24.338 -11.551 235 HA GLU 34 HA GLU 34 -11.159 26.484 -11.236 236 HB2 GLU 34 HB2 GLU 34 -12.848 25.967 -9.098 237 HB3 GLU 34 HB3 GLU 34 -11.397 26.601 -8.333 238 HG2 GLU 34 HG2 GLU 34 -11.645 28.669 -9.245 239 HG3 GLU 34 HG3 GLU 34 -12.468 28.061 -10.680 240 H GLY 35 H GLY 35 -9.320 24.226 -11.009 241 HA2 GLY 35 HA2 GLY 35 -7.045 25.681 -10.027 242 HA3 GLY 35 HA3 GLY 35 -7.459 24.310 -9.010 243 H GLU 36 H GLU 36 -6.866 25.135 -12.421 244 HA GLU 36 HA GLU 36 -6.161 22.424 -13.074 245 HB2 GLU 36 HB2 GLU 36 -5.620 23.340 -15.298 246 HB3 GLU 36 HB3 GLU 36 -7.222 23.819 -14.755 247 HG2 GLU 36 HG2 GLU 36 -6.545 25.836 -15.472 248 HG3 GLU 36 HG3 GLU 36 -5.820 25.916 -13.868 249 H ASP 37 H ASP 37 -4.437 25.458 -12.526 250 HA ASP 37 HA ASP 37 -1.877 24.057 -12.807 251 HB2 ASP 37 HB2 ASP 37 -2.248 26.215 -14.029 252 HB3 ASP 37 HB3 ASP 37 -2.358 27.022 -12.466 253 H LYS 38 H LYS 38 -3.924 24.145 -10.470 254 HA LYS 38 HA LYS 38 -1.984 24.869 -8.374 255 HB2 LYS 38 HB2 LYS 38 -4.966 25.072 -8.507 256 HB3 LYS 38 HB3 LYS 38 -4.193 24.840 -6.944 257 HG2 LYS 38 HG2 LYS 38 -3.532 26.961 -6.844 258 HG3 LYS 38 HG3 LYS 38 -2.933 26.941 -8.504 259 HD2 LYS 38 HD2 LYS 38 -4.911 27.695 -9.371 260 HD3 LYS 38 HD3 LYS 38 -5.877 26.973 -8.082 261 HE2 LYS 38 HE2 LYS 38 -4.213 28.916 -6.886 262 HE3 LYS 38 HE3 LYS 38 -4.909 29.653 -8.329 263 HZ1 LYS 38 HZ1 LYS 38 -6.571 28.197 -6.362 264 HZ2 LYS 38 HZ2 LYS 38 -7.069 29.295 -7.548 265 HZ3 LYS 38 HZ3 LYS 38 -6.223 29.844 -6.190 266 H THR 39 H THR 39 -4.789 22.707 -8.820 267 HA THR 39 HA THR 39 -3.242 20.396 -8.090 268 HB THR 39 HB THR 39 -5.565 20.834 -6.269 269 HG1 THR 39 HG1 THR 39 -4.065 21.834 -4.772 270 HG21 THR 39 HG21 THR 39 -4.610 18.695 -6.095 271 HG22 THR 39 HG22 THR 39 -3.928 19.590 -4.737 272 HG23 THR 39 HG23 THR 39 -2.967 19.326 -6.192 273 H GLU 40 H GLU 40 -3.919 19.133 -9.709 274 HA GLU 40 HA GLU 40 -6.681 19.174 -10.584 275 HB2 GLU 40 HB2 GLU 40 -5.884 17.494 -12.260 276 HB3 GLU 40 HB3 GLU 40 -5.032 19.031 -12.313 277 HG2 GLU 40 HG2 GLU 40 -3.608 17.380 -10.536 278 HG3 GLU 40 HG3 GLU 40 -3.988 16.402 -11.952 279 H VAL 41 H VAL 41 -8.215 17.768 -10.018 280 HA VAL 41 HA VAL 41 -7.491 15.595 -8.197 281 HB VAL 41 HB VAL 41 -10.270 16.543 -8.890 282 HG11 VAL 41 HG11 VAL 41 -9.233 15.047 -6.485 283 HG12 VAL 41 HG12 VAL 41 -10.915 15.450 -6.837 284 HG13 VAL 41 HG13 VAL 41 -10.049 14.304 -7.861 285 HG21 VAL 41 HG21 VAL 41 -9.403 18.477 -7.984 286 HG22 VAL 41 HG22 VAL 41 -9.990 17.651 -6.539 287 HG23 VAL 41 HG23 VAL 41 -8.273 17.611 -6.943 288 H CYS 42 H CYS 42 -7.183 13.649 -9.037 289 HA CYS 42 HA CYS 42 -8.814 12.842 -11.356 290 HB2 CYS 42 HB2 CYS 42 -6.041 11.849 -10.668 291 HB3 CYS 42 HB3 CYS 42 -6.972 11.463 -12.112 292 H SER 43 H SER 43 -9.464 10.636 -11.464 293 HA SER 43 HA SER 43 -9.107 8.981 -9.103 294 HB2 SER 43 HB2 SER 43 -11.700 8.641 -9.109 295 HB3 SER 43 HB3 SER 43 -11.014 10.039 -8.281 296 HG SER 43 HG SER 43 -11.769 11.342 -9.806 297 H CYS 44 H CYS 44 -9.691 6.787 -9.425 298 HA CYS 44 HA CYS 44 -9.312 5.887 -12.104 299 HB2 CYS 44 HB2 CYS 44 -8.678 4.774 -9.798 300 HB3 CYS 44 HB3 CYS 44 -10.280 4.060 -9.943 301 H GLN 45 H GLN 45 -10.765 5.340 -13.604 302 HA GLN 45 HA GLN 45 -13.522 4.779 -12.805 303 HB2 GLN 45 HB2 GLN 45 -12.653 6.927 -14.730 304 HB3 GLN 45 HB3 GLN 45 -14.267 6.230 -14.778 305 HG2 GLN 45 HG2 GLN 45 -13.514 7.065 -12.107 306 HG3 GLN 45 HG3 GLN 45 -13.449 8.388 -13.270 307 HE21 GLN 45 HE21 GLN 45 -15.488 5.992 -11.762 308 HE22 GLN 45 HE22 GLN 45 -16.995 6.733 -12.167 309 H GLN 46 H GLN 46 -14.820 3.953 -14.700 310 HA GLN 46 HA GLN 46 -13.156 2.068 -16.187 311 HB2 GLN 46 HB2 GLN 46 -15.272 0.894 -16.651 312 HB3 GLN 46 HB3 GLN 46 -15.006 1.121 -14.927 313 HG2 GLN 46 HG2 GLN 46 -16.526 3.284 -16.143 314 HG3 GLN 46 HG3 GLN 46 -17.304 1.710 -16.297 315 HE21 GLN 46 HE21 GLN 46 -17.659 0.487 -14.343 316 HE22 GLN 46 HE22 GLN 46 -17.914 1.319 -12.851 317 HA PRO 47 HA PRO 47 -13.579 4.192 -20.014 318 HB2 PRO 47 HB2 PRO 47 -13.285 2.103 -21.723 319 HB3 PRO 47 HB3 PRO 47 -11.940 2.790 -20.806 320 HG2 PRO 47 HG2 PRO 47 -13.569 0.345 -20.232 321 HG3 PRO 47 HG3 PRO 47 -11.815 0.575 -20.109 322 HD2 PRO 47 HD2 PRO 47 -13.450 0.652 -17.952 323 HD3 PRO 47 HD3 PRO 47 -11.970 1.627 -18.064 324 H LYS 48 H LYS 48 -14.836 4.126 -22.075 325 HA LYS 48 HA LYS 48 -17.583 3.934 -21.583 326 HB2 LYS 48 HB2 LYS 48 -16.030 5.032 -23.552 327 HB3 LYS 48 HB3 LYS 48 -16.791 3.696 -24.405 328 HG2 LYS 48 HG2 LYS 48 -18.225 5.490 -24.762 329 HG3 LYS 48 HG3 LYS 48 -18.994 4.586 -23.456 330 HD2 LYS 48 HD2 LYS 48 -18.709 6.254 -21.972 331 HD3 LYS 48 HD3 LYS 48 -17.092 6.638 -22.567 332 HE2 LYS 48 HE2 LYS 48 -18.450 8.529 -23.018 333 HE3 LYS 48 HE3 LYS 48 -18.201 7.708 -24.558 334 HZ1 LYS 48 HZ1 LYS 48 -20.636 7.765 -22.883 335 HZ2 LYS 48 HZ2 LYS 48 -20.408 6.580 -24.068 336 HZ3 LYS 48 HZ3 LYS 48 -20.462 8.213 -24.505 337 H SER 49 H SER 49 -15.310 1.639 -22.939 338 HA SER 49 HA SER 49 -17.178 -0.174 -24.023 339 HB2 SER 49 HB2 SER 49 -14.422 -0.777 -22.926 340 HB3 SER 49 HB3 SER 49 -15.343 -1.781 -24.045 341 HG SER 49 HG SER 49 -14.364 0.840 -24.535 342 H HIS 50 H HIS 50 -15.433 -0.241 -20.916 343 HA HIS 50 HA HIS 50 -16.688 -2.521 -19.884 344 HB2 HIS 50 HB2 HIS 50 -14.899 -0.474 -18.925 345 HB3 HIS 50 HB3 HIS 50 -16.113 -0.835 -17.701 346 HD1 HIS 50 HD1 HIS 50 -15.265 -2.520 -16.122 347 HD2 HIS 50 HD2 HIS 50 -13.890 -3.211 -19.981 348 HE1 HIS 50 HE1 HIS 50 -13.852 -4.595 -15.971 349 H LYS 51 H LYS 51 -17.500 0.915 -19.515 350 HA LYS 51 HA LYS 51 -19.647 0.650 -17.766 351 HB2 LYS 51 HB2 LYS 51 -18.444 2.727 -19.167 352 HB3 LYS 51 HB3 LYS 51 -20.093 2.707 -19.778 353 HG2 LYS 51 HG2 LYS 51 -20.873 3.637 -17.922 354 HG3 LYS 51 HG3 LYS 51 -20.046 2.456 -16.904 355 HD2 LYS 51 HD2 LYS 51 -19.041 4.418 -16.232 356 HD3 LYS 51 HD3 LYS 51 -17.927 3.872 -17.488 357 HE2 LYS 51 HE2 LYS 51 -18.761 5.418 -19.048 358 HE3 LYS 51 HE3 LYS 51 -20.207 5.731 -18.091 359 HZ1 LYS 51 HZ1 LYS 51 -18.971 6.948 -16.524 360 HZ2 LYS 51 HZ2 LYS 51 -18.436 7.494 -18.032 361 HZ3 LYS 51 HZ3 LYS 51 -17.487 6.416 -17.138 362 H ILE 52 H ILE 52 -19.862 1.066 -21.306 363 HA ILE 52 HA ILE 52 -22.561 0.594 -21.602 364 HB ILE 52 HB ILE 52 -20.363 -0.209 -23.512 365 HG12 ILE 52 HG12 ILE 52 -22.066 2.251 -23.738 366 HG13 ILE 52 HG13 ILE 52 -20.652 2.255 -22.689 367 HG21 ILE 52 HG21 ILE 52 -23.340 -0.017 -23.816 368 HG22 ILE 52 HG22 ILE 52 -22.261 0.154 -25.200 369 HG23 ILE 52 HG23 ILE 52 -22.263 -1.340 -24.262 370 HD11 ILE 52 HD11 ILE 52 -20.816 2.089 -25.653 371 HD12 ILE 52 HD12 ILE 52 -19.771 3.075 -24.630 372 HD13 ILE 52 HD13 ILE 52 -19.445 1.353 -24.824 373 H ALA 53 H ALA 53 -19.922 -1.785 -21.644 374 HA ALA 53 HA ALA 53 -21.360 -4.071 -22.226 375 HB1 ALA 53 HB1 ALA 53 -19.532 -5.278 -21.511 376 HB2 ALA 53 HB2 ALA 53 -18.813 -3.698 -21.824 377 HB3 ALA 53 HB3 ALA 53 -19.196 -4.180 -20.171 378 H GLU 54 H GLU 54 -20.520 -2.924 -18.948 379 HA GLU 54 HA GLU 54 -21.980 -4.763 -17.498 380 HB2 GLU 54 HB2 GLU 54 -21.108 -1.953 -16.972 381 HB3 GLU 54 HB3 GLU 54 -22.204 -2.727 -15.836 382 HG2 GLU 54 HG2 GLU 54 -19.698 -2.856 -15.371 383 HG3 GLU 54 HG3 GLU 54 -20.645 -4.336 -15.229 384 H LYS 55 H LYS 55 -23.053 -1.595 -18.701 385 HA LYS 55 HA LYS 55 -25.604 -1.530 -17.662 386 HB2 LYS 55 HB2 LYS 55 -24.844 -0.608 -20.438 387 HB3 LYS 55 HB3 LYS 55 -26.179 -0.016 -19.458 388 HG2 LYS 55 HG2 LYS 55 -23.603 0.215 -18.124 389 HG3 LYS 55 HG3 LYS 55 -23.686 1.112 -19.642 390 HD2 LYS 55 HD2 LYS 55 -25.562 2.361 -18.904 391 HD3 LYS 55 HD3 LYS 55 -25.808 1.300 -17.514 392 HE2 LYS 55 HE2 LYS 55 -23.699 2.062 -16.553 393 HE3 LYS 55 HE3 LYS 55 -23.424 3.098 -17.952 394 HZ1 LYS 55 HZ1 LYS 55 -25.401 3.397 -15.790 395 HZ2 LYS 55 HZ2 LYS 55 -25.688 4.101 -17.300 396 HZ3 LYS 55 HZ3 LYS 55 -24.317 4.539 -16.410 397 H ILE 56 H ILE 56 -24.665 -2.822 -20.852 398 HA ILE 56 HA ILE 56 -27.170 -3.798 -21.588 399 HB ILE 56 HB ILE 56 -24.460 -4.913 -22.325 400 HG12 ILE 56 HG12 ILE 56 -24.765 -2.515 -22.866 401 HG13 ILE 56 HG13 ILE 56 -24.635 -3.514 -24.309 402 HG21 ILE 56 HG21 ILE 56 -25.989 -5.465 -24.445 403 HG22 ILE 56 HG22 ILE 56 -25.779 -6.584 -23.099 404 HG23 ILE 56 HG23 ILE 56 -27.215 -5.563 -23.182 405 HD11 ILE 56 HD11 ILE 56 -26.609 -1.653 -23.721 406 HD12 ILE 56 HD12 ILE 56 -26.605 -2.824 -25.040 407 HD13 ILE 56 HD13 ILE 56 -27.383 -3.223 -23.508 408 H ILE 57 H ILE 57 -24.475 -5.525 -20.024 409 HA ILE 57 HA ILE 57 -25.632 -8.023 -19.789 410 HB ILE 57 HB ILE 57 -23.814 -6.671 -17.790 411 HG12 ILE 57 HG12 ILE 57 -22.984 -8.647 -19.898 412 HG13 ILE 57 HG13 ILE 57 -23.107 -6.932 -20.275 413 HG21 ILE 57 HG21 ILE 57 -25.037 -9.314 -17.875 414 HG22 ILE 57 HG22 ILE 57 -23.280 -9.365 -17.734 415 HG23 ILE 57 HG23 ILE 57 -24.234 -8.478 -16.545 416 HD11 ILE 57 HD11 ILE 57 -20.886 -7.165 -19.734 417 HD12 ILE 57 HD12 ILE 57 -21.581 -6.636 -18.201 418 HD13 ILE 57 HD13 ILE 57 -21.209 -8.340 -18.460 419 H ASP 58 H ASP 58 -25.648 -5.456 -17.309 420 HA ASP 58 HA ASP 58 -27.329 -6.729 -15.493 421 HB2 ASP 58 HB2 ASP 58 -26.650 -3.864 -16.038 422 HB3 ASP 58 HB3 ASP 58 -27.933 -4.242 -14.891 423 H LYS 59 H LYS 59 -28.133 -4.554 -18.175 424 HA LYS 59 HA LYS 59 -30.874 -4.341 -17.742 425 HB2 LYS 59 HB2 LYS 59 -29.576 -3.011 -19.392 426 HB3 LYS 59 HB3 LYS 59 -29.461 -4.437 -20.414 427 HG2 LYS 59 HG2 LYS 59 -32.056 -4.419 -20.278 428 HG3 LYS 59 HG3 LYS 59 -31.833 -2.735 -19.800 429 HD2 LYS 59 HD2 LYS 59 -30.472 -3.824 -22.236 430 HD3 LYS 59 HD3 LYS 59 -32.156 -3.301 -22.306 431 HE2 LYS 59 HE2 LYS 59 -31.608 -1.086 -21.786 432 HE3 LYS 59 HE3 LYS 59 -30.016 -1.530 -21.172 433 HZ1 LYS 59 HZ1 LYS 59 -30.750 -0.779 -23.788 434 HZ2 LYS 59 HZ2 LYS 59 -30.118 -2.348 -23.822 435 HZ3 LYS 59 HZ3 LYS 59 -29.205 -1.083 -23.168 436 H ALA 60 H ALA 60 -29.229 -6.573 -19.992 437 HA ALA 60 HA ALA 60 -31.445 -8.061 -20.738 438 HB1 ALA 60 HB1 ALA 60 -29.101 -8.141 -21.701 439 HB2 ALA 60 HB2 ALA 60 -28.708 -9.255 -20.391 440 HB3 ALA 60 HB3 ALA 60 -29.950 -9.682 -21.568 441 H LYS 61 H LYS 61 -29.172 -8.680 -18.072 442 HA LYS 61 HA LYS 61 -30.219 -11.052 -17.122 443 HB2 LYS 61 HB2 LYS 61 -28.155 -9.696 -16.341 444 HB3 LYS 61 HB3 LYS 61 -29.277 -8.899 -15.246 445 HG2 LYS 61 HG2 LYS 61 -28.213 -10.660 -14.054 446 HG3 LYS 61 HG3 LYS 61 -29.885 -11.143 -14.348 447 HD2 LYS 61 HD2 LYS 61 -29.220 -12.961 -15.444 448 HD3 LYS 61 HD3 LYS 61 -28.215 -11.993 -16.526 449 HE2 LYS 61 HE2 LYS 61 -26.572 -11.937 -14.511 450 HE3 LYS 61 HE3 LYS 61 -27.488 -13.335 -13.952 451 HZ1 LYS 61 HZ1 LYS 61 -27.033 -14.038 -16.467 452 HZ2 LYS 61 HZ2 LYS 61 -25.983 -14.424 -15.199 453 HZ3 LYS 61 HZ3 LYS 61 -25.655 -13.096 -16.194 454 H THR 62 H THR 62 -31.176 -7.740 -16.259 455 HA THR 62 HA THR 62 -33.264 -8.598 -14.499 456 HB THR 62 HB THR 62 -32.984 -5.867 -15.758 457 HG1 THR 62 HG1 THR 62 -31.842 -5.486 -13.655 458 HG21 THR 62 HG21 THR 62 -33.914 -5.352 -13.346 459 HG22 THR 62 HG22 THR 62 -34.497 -7.013 -13.457 460 HG23 THR 62 HG23 THR 62 -35.000 -5.819 -14.654 461 H THR 63 H THR 63 -32.986 -8.209 -17.881 462 HA THR 63 HA THR 63 -35.812 -7.779 -18.345 463 HB THR 63 HB THR 63 -33.578 -8.375 -20.296 464 HG1 THR 63 HG1 THR 63 -33.515 -6.193 -20.591 465 HG21 THR 63 HG21 THR 63 -35.450 -8.999 -21.493 466 HG22 THR 63 HG22 THR 63 -35.374 -7.275 -21.860 467 HG23 THR 63 HG23 THR 63 -36.502 -7.869 -20.641 468 H LEU 64 H LEU 64 -33.624 -10.438 -18.073 469 HA LEU 64 HA LEU 64 -35.460 -12.299 -19.355 470 HB2 LEU 64 HB2 LEU 64 -32.670 -12.432 -18.326 471 HB3 LEU 64 HB3 LEU 64 -33.595 -13.928 -18.444 472 HG LEU 64 HG LEU 64 -33.064 -12.060 -20.752 473 HD11 LEU 64 HD11 LEU 64 -31.294 -13.392 -21.412 474 HD12 LEU 64 HD12 LEU 64 -31.799 -14.745 -20.401 475 HD13 LEU 64 HD13 LEU 64 -31.077 -13.315 -19.663 476 HD21 LEU 64 HD21 LEU 64 -34.721 -14.439 -20.368 477 HD22 LEU 64 HD22 LEU 64 -33.634 -14.536 -21.754 478 HD23 LEU 64 HD23 LEU 64 -34.781 -13.202 -21.624 Start of MODEL 2 1 H1 ALA 1 H ALA 1 2.771 -3.697 1.219 2 HA ALA 1 HA ALA 1 2.219 -1.226 -0.102 3 HB1 ALA 1 HB1 ALA 1 4.601 -2.619 -1.025 4 HB2 ALA 1 HB2 ALA 1 4.439 -1.050 -0.234 5 HB3 ALA 1 HB3 ALA 1 4.498 -2.523 0.733 6 H LYS 2 H LYS 2 1.736 -4.479 -0.929 7 HA LYS 2 HA LYS 2 1.707 -3.882 -3.804 8 HB2 LYS 2 HB2 LYS 2 2.484 -6.169 -2.290 9 HB3 LYS 2 HB3 LYS 2 1.105 -6.620 -3.285 10 HG2 LYS 2 HG2 LYS 2 2.789 -5.150 -4.963 11 HG3 LYS 2 HG3 LYS 2 3.846 -6.217 -4.036 12 HD2 LYS 2 HD2 LYS 2 1.346 -7.237 -5.351 13 HD3 LYS 2 HD3 LYS 2 2.868 -7.106 -6.237 14 HE2 LYS 2 HE2 LYS 2 3.444 -8.359 -3.774 15 HE3 LYS 2 HE3 LYS 2 2.005 -9.141 -4.425 16 HZ1 LYS 2 HZ1 LYS 2 4.508 -8.727 -5.965 17 HZ2 LYS 2 HZ2 LYS 2 3.158 -9.629 -6.440 18 HZ3 LYS 2 HZ3 LYS 2 4.122 -10.161 -5.155 19 H ALA 3 H ALA 3 -0.190 -3.158 -4.507 20 HA ALA 3 HA ALA 3 -2.575 -4.716 -4.075 21 HB1 ALA 3 HB1 ALA 3 -2.223 -2.036 -2.802 22 HB2 ALA 3 HB2 ALA 3 -3.820 -2.554 -3.344 23 HB3 ALA 3 HB3 ALA 3 -2.944 -3.505 -2.144 24 H CYS 4 H CYS 4 -4.460 -3.753 -5.286 25 HA CYS 4 HA CYS 4 -3.461 -2.586 -7.786 26 HB2 CYS 4 HB2 CYS 4 -5.635 -4.469 -7.089 27 HB3 CYS 4 HB3 CYS 4 -6.000 -3.320 -8.372 28 H THR 5 H THR 5 -4.873 -1.036 -8.910 29 HA THR 5 HA THR 5 -6.264 0.720 -6.994 30 HB THR 5 HB THR 5 -4.754 1.499 -9.497 31 HG1 THR 5 HG1 THR 5 -4.197 1.611 -6.733 32 HG21 THR 5 HG21 THR 5 -5.426 3.696 -7.788 33 HG22 THR 5 HG22 THR 5 -6.895 2.815 -8.212 34 HG23 THR 5 HG23 THR 5 -5.844 3.441 -9.481 35 HA PRO 6 HA PRO 6 -9.455 -0.701 -10.010 36 HB2 PRO 6 HB2 PRO 6 -11.438 -0.865 -8.163 37 HB3 PRO 6 HB3 PRO 6 -10.295 -2.179 -8.464 38 HG2 PRO 6 HG2 PRO 6 -10.282 -0.118 -6.293 39 HG3 PRO 6 HG3 PRO 6 -9.950 -1.857 -6.188 40 HD2 PRO 6 HD2 PRO 6 -7.981 -0.001 -6.251 41 HD3 PRO 6 HD3 PRO 6 -7.789 -1.621 -6.952 42 H LEU 7 H LEU 7 -11.956 0.188 -9.811 43 HA LEU 7 HA LEU 7 -11.812 2.883 -10.560 44 HB2 LEU 7 HB2 LEU 7 -13.605 1.651 -11.419 45 HB3 LEU 7 HB3 LEU 7 -14.080 1.065 -9.825 46 HG LEU 7 HG LEU 7 -14.799 3.402 -9.277 47 HD11 LEU 7 HD11 LEU 7 -14.351 5.090 -10.640 48 HD12 LEU 7 HD12 LEU 7 -15.181 4.280 -11.969 49 HD13 LEU 7 HD13 LEU 7 -13.466 3.980 -11.687 50 HD21 LEU 7 HD21 LEU 7 -16.266 2.426 -11.698 51 HD22 LEU 7 HD22 LEU 7 -16.907 3.117 -10.207 52 HD23 LEU 7 HD23 LEU 7 -16.251 1.480 -10.209 53 H LEU 8 H LEU 8 -12.580 4.774 -9.550 54 HA LEU 8 HA LEU 8 -12.787 6.259 -7.840 55 HB2 LEU 8 HB2 LEU 8 -14.087 3.819 -6.693 56 HB3 LEU 8 HB3 LEU 8 -13.893 5.272 -5.716 57 HG LEU 8 HG LEU 8 -15.441 5.065 -8.300 58 HD11 LEU 8 HD11 LEU 8 -16.277 4.060 -6.002 59 HD12 LEU 8 HD12 LEU 8 -17.363 4.928 -7.087 60 HD13 LEU 8 HD13 LEU 8 -16.674 5.750 -5.687 61 HD21 LEU 8 HD21 LEU 8 -14.942 7.374 -6.430 62 HD22 LEU 8 HD22 LEU 8 -16.209 7.357 -7.656 63 HD23 LEU 8 HD23 LEU 8 -14.516 7.258 -8.138 64 H HIS 9 H HIS 9 -10.291 5.670 -8.050 65 HA HIS 9 HA HIS 9 -9.347 5.472 -5.297 66 HB2 HIS 9 HB2 HIS 9 -8.754 3.518 -7.446 67 HB3 HIS 9 HB3 HIS 9 -7.387 4.035 -6.463 68 HD1 HIS 9 HD1 HIS 9 -7.043 2.731 -4.392 69 HD2 HIS 9 HD2 HIS 9 -10.976 2.523 -5.715 70 HE1 HIS 9 HE1 HIS 9 -8.195 1.132 -2.829 71 H ASP 10 H ASP 10 -6.961 6.030 -5.179 72 HA ASP 10 HA ASP 10 -6.545 8.464 -6.653 73 HB2 ASP 10 HB2 ASP 10 -5.780 7.558 -4.162 74 HB3 ASP 10 HB3 ASP 10 -4.277 7.489 -5.079 75 H CYS 11 H CYS 11 -5.683 8.531 -8.609 76 HA CYS 11 HA CYS 11 -3.531 6.633 -9.268 77 HB2 CYS 11 HB2 CYS 11 -4.393 6.409 -11.527 78 HB3 CYS 11 HB3 CYS 11 -5.643 5.956 -10.373 79 H SER 12 H SER 12 -4.168 9.720 -8.664 80 HA SER 12 HA SER 12 -3.186 11.179 -10.842 81 HB2 SER 12 HB2 SER 12 -4.295 11.947 -8.578 82 HB3 SER 12 HB3 SER 12 -2.620 12.080 -8.043 83 HG SER 12 HG SER 12 -3.409 14.034 -8.955 84 H HIS 13 H HIS 13 -1.569 9.237 -8.491 85 HA HIS 13 HA HIS 13 1.032 10.403 -8.900 86 HB2 HIS 13 HB2 HIS 13 0.054 7.949 -7.450 87 HB3 HIS 13 HB3 HIS 13 1.770 8.305 -7.624 88 HD1 HIS 13 HD1 HIS 13 -0.546 8.504 -5.120 89 HD2 HIS 13 HD2 HIS 13 1.944 11.374 -6.798 90 HE1 HIS 13 HE1 HIS 13 -0.333 10.309 -3.382 91 H ASP 14 H ASP 14 -0.908 8.103 -10.502 92 HA ASP 14 HA ASP 14 1.025 7.715 -12.553 93 HB2 ASP 14 HB2 ASP 14 0.869 5.732 -10.404 94 HB3 ASP 14 HB3 ASP 14 0.648 5.039 -12.008 95 H ARG 15 H ARG 15 -0.223 7.834 -14.289 96 HA ARG 15 HA ARG 15 -3.008 7.251 -14.241 97 HB2 ARG 15 HB2 ARG 15 -1.363 7.554 -16.742 98 HB3 ARG 15 HB3 ARG 15 -3.053 7.969 -16.488 99 HG2 ARG 15 HG2 ARG 15 -2.267 9.737 -14.884 100 HG3 ARG 15 HG3 ARG 15 -0.628 9.403 -15.444 101 HD2 ARG 15 HD2 ARG 15 -2.653 9.871 -17.539 102 HD3 ARG 15 HD3 ARG 15 -2.236 11.263 -16.540 103 HE ARG 15 HE ARG 15 0.076 9.892 -17.506 104 HH11 ARG 15 HH11 ARG 15 -2.395 12.191 -18.364 105 HH12 ARG 15 HH12 ARG 15 -1.424 12.983 -19.561 106 HH21 ARG 15 HH21 ARG 15 1.362 10.927 -19.079 107 HH22 ARG 15 HH22 ARG 15 0.712 12.263 -19.968 108 H HIS 16 H HIS 16 -0.275 5.309 -14.605 109 HA HIS 16 HA HIS 16 -1.821 3.218 -15.987 110 HB2 HIS 16 HB2 HIS 16 1.079 3.910 -15.942 111 HB3 HIS 16 HB3 HIS 16 0.639 2.214 -16.114 112 HD1 HIS 16 HD1 HIS 16 0.710 1.583 -18.492 113 HD2 HIS 16 HD2 HIS 16 -0.722 5.448 -17.975 114 HE1 HIS 16 HE1 HIS 16 0.160 2.411 -20.802 115 H SER 17 H SER 17 -1.871 3.966 -13.100 116 HA SER 17 HA SER 17 -0.597 1.727 -11.770 117 HB2 SER 17 HB2 SER 17 -2.025 4.193 -10.911 118 HB3 SER 17 HB3 SER 17 -2.054 2.817 -9.808 119 HG SER 17 HG SER 17 0.414 3.396 -10.898 120 H CYS 18 H CYS 18 -3.840 2.779 -12.659 121 HA CYS 18 HA CYS 18 -5.356 0.917 -11.270 122 HB2 CYS 18 HB2 CYS 18 -5.808 2.199 -13.967 123 HB3 CYS 18 HB3 CYS 18 -7.015 1.199 -13.165 124 H CYS 19 H CYS 19 -5.765 -1.202 -11.475 125 HA CYS 19 HA CYS 19 -4.181 -2.743 -13.320 126 HB2 CYS 19 HB2 CYS 19 -6.204 -3.534 -11.218 127 HB3 CYS 19 HB3 CYS 19 -5.313 -4.694 -12.200 128 H ARG 20 H ARG 20 -5.186 -4.532 -14.592 129 HA ARG 20 HA ARG 20 -7.255 -3.443 -16.271 130 HB2 ARG 20 HB2 ARG 20 -5.295 -4.703 -17.162 131 HB3 ARG 20 HB3 ARG 20 -5.935 -6.157 -16.408 132 HG2 ARG 20 HG2 ARG 20 -7.832 -6.164 -17.833 133 HG3 ARG 20 HG3 ARG 20 -7.458 -4.551 -18.440 134 HD2 ARG 20 HD2 ARG 20 -5.530 -5.346 -19.589 135 HD3 ARG 20 HD3 ARG 20 -5.633 -6.918 -18.798 136 HE ARG 20 HE ARG 20 -7.211 -7.556 -20.334 137 HH11 ARG 20 HH11 ARG 20 -6.773 -4.106 -20.492 138 HH12 ARG 20 HH12 ARG 20 -7.727 -3.919 -21.925 139 HH21 ARG 20 HH21 ARG 20 -8.471 -7.322 -22.222 140 HH22 ARG 20 HH22 ARG 20 -8.694 -5.749 -22.908 141 H GLY 21 H GLY 21 -9.217 -4.587 -16.837 142 HA2 GLY 21 HA2 GLY 21 -10.331 -5.996 -14.504 143 HA3 GLY 21 HA3 GLY 21 -11.267 -5.104 -15.694 144 H ASP 22 H ASP 22 -12.600 -7.028 -15.801 145 HA ASP 22 HA ASP 22 -11.486 -9.462 -16.842 146 HB2 ASP 22 HB2 ASP 22 -13.558 -9.243 -15.355 147 HB3 ASP 22 HB3 ASP 22 -14.409 -8.727 -16.809 148 H MET 23 H MET 23 -13.100 -6.642 -18.151 149 HA MET 23 HA MET 23 -13.104 -7.842 -20.826 150 HB2 MET 23 HB2 MET 23 -14.327 -5.242 -19.887 151 HB3 MET 23 HB3 MET 23 -14.522 -5.962 -21.479 152 HG2 MET 23 HG2 MET 23 -15.629 -7.900 -20.429 153 HG3 MET 23 HG3 MET 23 -15.503 -7.090 -18.869 154 HE1 MET 23 HE1 MET 23 -19.009 -6.674 -18.906 155 HE2 MET 23 HE2 MET 23 -17.479 -7.057 -18.119 156 HE3 MET 23 HE3 MET 23 -18.052 -5.389 -18.169 157 H PHE 24 H PHE 24 -12.462 -4.569 -19.560 158 HA PHE 24 HA PHE 24 -9.986 -4.519 -21.141 159 HB2 PHE 24 HB2 PHE 24 -11.946 -2.222 -21.000 160 HB3 PHE 24 HB3 PHE 24 -10.457 -2.283 -21.937 161 HD1 PHE 24 HD1 PHE 24 -13.873 -3.631 -21.647 162 HD2 PHE 24 HD2 PHE 24 -10.382 -3.324 -24.063 163 HE1 PHE 24 HE1 PHE 24 -15.125 -4.534 -23.563 164 HE2 PHE 24 HE2 PHE 24 -11.628 -4.227 -25.983 165 HZ PHE 24 HZ PHE 24 -14.003 -4.831 -25.736 166 H LYS 25 H LYS 25 -8.672 -2.483 -20.535 167 HA LYS 25 HA LYS 25 -8.366 -2.522 -17.657 168 HB2 LYS 25 HB2 LYS 25 -6.335 -2.666 -18.877 169 HB3 LYS 25 HB3 LYS 25 -6.768 -1.306 -19.904 170 HG2 LYS 25 HG2 LYS 25 -6.135 0.238 -18.370 171 HG3 LYS 25 HG3 LYS 25 -6.559 -0.787 -16.998 172 HD2 LYS 25 HD2 LYS 25 -4.312 -0.962 -16.805 173 HD3 LYS 25 HD3 LYS 25 -4.529 -2.218 -18.026 174 HE2 LYS 25 HE2 LYS 25 -4.359 0.164 -19.461 175 HE3 LYS 25 HE3 LYS 25 -3.134 0.305 -18.202 176 HZ1 LYS 25 HZ1 LYS 25 -2.043 -1.597 -18.952 177 HZ2 LYS 25 HZ2 LYS 25 -2.456 -0.784 -20.376 178 HZ3 LYS 25 HZ3 LYS 25 -3.361 -2.122 -19.873 179 H TYR 26 H TYR 26 -8.505 -0.752 -16.285 180 HA TYR 26 HA TYR 26 -10.457 1.209 -17.004 181 HB2 TYR 26 HB2 TYR 26 -8.726 1.067 -14.528 182 HB3 TYR 26 HB3 TYR 26 -10.185 2.031 -14.723 183 HD1 TYR 26 HD1 TYR 26 -11.962 0.073 -16.070 184 HD2 TYR 26 HD2 TYR 26 -9.275 -0.419 -12.809 185 HE1 TYR 26 HE1 TYR 26 -13.319 -1.805 -15.243 186 HE2 TYR 26 HE2 TYR 26 -10.622 -2.299 -11.973 187 HH TYR 26 HH TYR 26 -12.269 -3.772 -12.526 188 H VAL 27 H VAL 27 -10.084 3.566 -16.556 189 HA VAL 27 HA VAL 27 -7.412 4.389 -17.493 190 HB VAL 27 HB VAL 27 -8.827 4.788 -19.336 191 HG11 VAL 27 HG11 VAL 27 -10.963 6.105 -19.072 192 HG12 VAL 27 HG12 VAL 27 -10.985 4.470 -18.408 193 HG13 VAL 27 HG13 VAL 27 -10.803 5.857 -17.334 194 HG21 VAL 27 HG21 VAL 27 -7.387 6.724 -18.458 195 HG22 VAL 27 HG22 VAL 27 -8.618 7.090 -19.666 196 HG23 VAL 27 HG23 VAL 27 -8.915 7.455 -17.966 197 H CYS 28 H CYS 28 -6.587 6.346 -16.698 198 HA CYS 28 HA CYS 28 -7.691 7.111 -14.104 199 HB2 CYS 28 HB2 CYS 28 -5.303 6.535 -14.229 200 HB3 CYS 28 HB3 CYS 28 -5.051 7.827 -15.397 201 H ASP 29 H ASP 29 -9.061 8.755 -14.038 202 HA ASP 29 HA ASP 29 -8.993 10.798 -16.119 203 HB2 ASP 29 HB2 ASP 29 -10.990 9.975 -14.040 204 HB3 ASP 29 HB3 ASP 29 -11.100 11.573 -14.773 205 H CYS 30 H CYS 30 -8.845 13.020 -15.684 206 HA CYS 30 HA CYS 30 -7.905 13.751 -12.997 207 HB2 CYS 30 HB2 CYS 30 -6.573 14.351 -15.634 208 HB3 CYS 30 HB3 CYS 30 -6.259 15.307 -14.190 209 H PHE 31 H PHE 31 -8.557 15.720 -12.259 210 HA PHE 31 HA PHE 31 -9.857 17.581 -14.090 211 HB2 PHE 31 HB2 PHE 31 -11.227 16.220 -11.778 212 HB3 PHE 31 HB3 PHE 31 -11.784 17.768 -12.405 213 HD1 PHE 31 HD2 PHE 31 -12.718 17.930 -14.660 214 HD2 PHE 31 HD1 PHE 31 -11.571 14.189 -12.985 215 HE1 PHE 31 HE2 PHE 31 -14.018 16.761 -16.392 216 HE2 PHE 31 HE1 PHE 31 -12.869 13.013 -14.714 217 HZ PHE 31 HZ PHE 31 -14.096 14.299 -16.419 218 H TYR 32 H TYR 32 -10.596 19.589 -12.790 219 HA TYR 32 HA TYR 32 -8.862 20.127 -10.502 220 HB2 TYR 32 HB2 TYR 32 -8.939 22.129 -12.736 221 HB3 TYR 32 HB3 TYR 32 -7.764 21.963 -11.437 222 HD1 TYR 32 HD1 TYR 32 -8.863 20.615 -14.683 223 HD2 TYR 32 HD2 TYR 32 -5.887 20.486 -11.645 224 HE1 TYR 32 HE1 TYR 32 -7.390 19.344 -16.187 225 HE2 TYR 32 HE2 TYR 32 -4.405 19.215 -13.141 226 HH TYR 32 HH TYR 32 -5.282 18.593 -16.500 227 HA PRO 33 HA PRO 33 -12.325 22.369 -8.997 228 HB2 PRO 33 HB2 PRO 33 -11.096 24.223 -7.441 229 HB3 PRO 33 HB3 PRO 33 -11.202 22.515 -6.998 230 HG2 PRO 33 HG2 PRO 33 -8.926 24.014 -8.237 231 HG3 PRO 33 HG3 PRO 33 -8.896 22.809 -6.937 232 HD2 PRO 33 HD2 PRO 33 -8.261 22.204 -9.499 233 HD3 PRO 33 HD3 PRO 33 -9.031 21.037 -8.405 234 H GLU 34 H GLU 34 -12.581 23.159 -11.327 235 HA GLU 34 HA GLU 34 -13.015 24.832 -12.807 236 HB2 GLU 34 HB2 GLU 34 -13.238 26.255 -10.168 237 HB3 GLU 34 HB3 GLU 34 -13.479 27.114 -11.683 238 HG2 GLU 34 HG2 GLU 34 -15.376 25.858 -12.227 239 HG3 GLU 34 HG3 GLU 34 -15.003 24.618 -11.032 240 H GLY 35 H GLY 35 -10.201 24.268 -11.995 241 HA2 GLY 35 HA2 GLY 35 -8.891 26.139 -13.587 242 HA3 GLY 35 HA3 GLY 35 -8.734 26.690 -11.926 243 H GLU 36 H GLU 36 -7.186 25.040 -14.267 244 HA GLU 36 HA GLU 36 -6.124 22.837 -12.785 245 HB2 GLU 36 HB2 GLU 36 -4.693 22.466 -14.661 246 HB3 GLU 36 HB3 GLU 36 -6.265 22.945 -15.287 247 HG2 GLU 36 HG2 GLU 36 -5.431 25.218 -15.634 248 HG3 GLU 36 HG3 GLU 36 -3.852 24.725 -15.023 249 H ASP 37 H ASP 37 -5.610 26.128 -12.614 250 HA ASP 37 HA ASP 37 -2.794 25.960 -11.901 251 HB2 ASP 37 HB2 ASP 37 -4.378 27.965 -13.002 252 HB3 ASP 37 HB3 ASP 37 -4.089 28.509 -11.352 253 H LYS 38 H LYS 38 -5.345 24.963 -10.351 254 HA LYS 38 HA LYS 38 -4.625 26.164 -7.760 255 HB2 LYS 38 HB2 LYS 38 -7.173 24.849 -8.704 256 HB3 LYS 38 HB3 LYS 38 -6.855 25.214 -7.013 257 HG2 LYS 38 HG2 LYS 38 -6.337 27.603 -8.283 258 HG3 LYS 38 HG3 LYS 38 -7.722 26.956 -9.166 259 HD2 LYS 38 HD2 LYS 38 -7.837 26.779 -6.216 260 HD3 LYS 38 HD3 LYS 38 -7.951 28.397 -6.912 261 HE2 LYS 38 HE2 LYS 38 -9.715 27.351 -8.479 262 HE3 LYS 38 HE3 LYS 38 -9.765 26.042 -7.299 263 HZ1 LYS 38 HZ1 LYS 38 -10.645 27.403 -5.693 264 HZ2 LYS 38 HZ2 LYS 38 -11.375 28.041 -7.078 265 HZ3 LYS 38 HZ3 LYS 38 -10.044 28.823 -6.387 266 H THR 39 H THR 39 -6.174 23.089 -8.644 267 HA THR 39 HA THR 39 -3.930 21.581 -7.577 268 HB THR 39 HB THR 39 -6.663 21.106 -6.394 269 HG1 THR 39 HG1 THR 39 -4.556 22.384 -5.004 270 HG21 THR 39 HG21 THR 39 -3.916 20.023 -5.985 271 HG22 THR 39 HG22 THR 39 -5.466 19.182 -6.016 272 HG23 THR 39 HG23 THR 39 -4.999 20.120 -4.598 273 H GLU 40 H GLU 40 -3.758 19.568 -8.447 274 HA GLU 40 HA GLU 40 -5.743 18.868 -10.484 275 HB2 GLU 40 HB2 GLU 40 -3.959 17.300 -11.299 276 HB3 GLU 40 HB3 GLU 40 -3.528 19.003 -11.365 277 HG2 GLU 40 HG2 GLU 40 -1.785 18.706 -10.028 278 HG3 GLU 40 HG3 GLU 40 -2.745 17.807 -8.854 279 H VAL 41 H VAL 41 -7.263 17.486 -9.876 280 HA VAL 41 HA VAL 41 -6.552 15.356 -7.966 281 HB VAL 41 HB VAL 41 -9.335 16.381 -8.518 282 HG11 VAL 41 HG11 VAL 41 -9.988 15.158 -6.600 283 HG12 VAL 41 HG12 VAL 41 -8.988 14.067 -7.561 284 HG13 VAL 41 HG13 VAL 41 -8.315 14.856 -6.134 285 HG21 VAL 41 HG21 VAL 41 -8.816 18.211 -7.363 286 HG22 VAL 41 HG22 VAL 41 -8.582 17.176 -5.955 287 HG23 VAL 41 HG23 VAL 41 -7.210 17.590 -6.983 288 H CYS 42 H CYS 42 -6.327 13.435 -8.884 289 HA CYS 42 HA CYS 42 -7.983 12.791 -11.235 290 HB2 CYS 42 HB2 CYS 42 -5.296 11.617 -10.487 291 HB3 CYS 42 HB3 CYS 42 -6.215 11.275 -11.949 292 H SER 43 H SER 43 -8.798 10.651 -11.424 293 HA SER 43 HA SER 43 -8.626 8.899 -9.114 294 HB2 SER 43 HB2 SER 43 -11.279 8.792 -9.288 295 HB3 SER 43 HB3 SER 43 -10.471 9.965 -8.247 296 HG SER 43 HG SER 43 -11.532 11.383 -9.372 297 H CYS 44 H CYS 44 -9.336 6.768 -9.528 298 HA CYS 44 HA CYS 44 -8.945 5.904 -12.200 299 HB2 CYS 44 HB2 CYS 44 -8.609 4.677 -9.875 300 HB3 CYS 44 HB3 CYS 44 -10.250 4.123 -10.190 301 H GLN 45 H GLN 45 -10.350 5.633 -13.810 302 HA GLN 45 HA GLN 45 -13.193 5.306 -13.205 303 HB2 GLN 45 HB2 GLN 45 -12.028 7.421 -15.015 304 HB3 GLN 45 HB3 GLN 45 -13.718 6.939 -15.063 305 HG2 GLN 45 HG2 GLN 45 -12.739 7.634 -12.394 306 HG3 GLN 45 HG3 GLN 45 -12.707 8.959 -13.557 307 HE21 GLN 45 HE21 GLN 45 -14.405 8.283 -11.150 308 HE22 GLN 45 HE22 GLN 45 -16.028 8.466 -11.712 309 H GLN 46 H GLN 46 -14.429 4.825 -15.307 310 HA GLN 46 HA GLN 46 -12.907 2.782 -16.737 311 HB2 GLN 46 HB2 GLN 46 -15.824 3.292 -16.283 312 HB3 GLN 46 HB3 GLN 46 -15.317 2.281 -17.629 313 HG2 GLN 46 HG2 GLN 46 -14.800 0.559 -16.302 314 HG3 GLN 46 HG3 GLN 46 -14.061 1.593 -15.081 315 HE21 GLN 46 HE21 GLN 46 -16.040 -0.691 -15.019 316 HE22 GLN 46 HE22 GLN 46 -17.335 -0.100 -14.042 317 HA PRO 47 HA PRO 47 -12.592 5.121 -20.446 318 HB2 PRO 47 HB2 PRO 47 -12.457 3.098 -22.252 319 HB3 PRO 47 HB3 PRO 47 -11.123 3.509 -21.168 320 HG2 PRO 47 HG2 PRO 47 -13.171 1.341 -20.912 321 HG3 PRO 47 HG3 PRO 47 -11.426 1.273 -20.608 322 HD2 PRO 47 HD2 PRO 47 -13.244 1.512 -18.616 323 HD3 PRO 47 HD3 PRO 47 -11.625 2.234 -18.522 324 H LYS 48 H LYS 48 -13.627 5.393 -22.600 325 HA LYS 48 HA LYS 48 -16.388 5.663 -22.405 326 HB2 LYS 48 HB2 LYS 48 -14.377 6.240 -24.321 327 HB3 LYS 48 HB3 LYS 48 -15.656 5.373 -25.160 328 HG2 LYS 48 HG2 LYS 48 -17.089 7.089 -25.010 329 HG3 LYS 48 HG3 LYS 48 -16.594 7.492 -23.365 330 HD2 LYS 48 HD2 LYS 48 -15.870 9.338 -24.558 331 HD3 LYS 48 HD3 LYS 48 -14.416 8.336 -24.508 332 HE2 LYS 48 HE2 LYS 48 -15.876 7.522 -26.773 333 HE3 LYS 48 HE3 LYS 48 -15.892 9.285 -26.776 334 HZ1 LYS 48 HZ1 LYS 48 -13.567 7.467 -26.861 335 HZ2 LYS 48 HZ2 LYS 48 -13.398 9.073 -26.359 336 HZ3 LYS 48 HZ3 LYS 48 -13.963 8.728 -27.916 337 H SER 49 H SER 49 -14.459 2.963 -23.457 338 HA SER 49 HA SER 49 -16.502 1.543 -24.819 339 HB2 SER 49 HB2 SER 49 -14.913 -0.458 -24.192 340 HB3 SER 49 HB3 SER 49 -14.389 0.757 -25.358 341 HG SER 49 HG SER 49 -13.148 0.068 -23.183 342 H HIS 50 H HIS 50 -15.113 1.095 -21.563 343 HA HIS 50 HA HIS 50 -16.888 -0.888 -20.714 344 HB2 HIS 50 HB2 HIS 50 -14.828 0.735 -19.544 345 HB3 HIS 50 HB3 HIS 50 -16.209 0.673 -18.454 346 HD1 HIS 50 HD1 HIS 50 -16.426 -1.376 -17.052 347 HD2 HIS 50 HD2 HIS 50 -13.835 -1.926 -20.253 348 HE1 HIS 50 HE1 HIS 50 -15.398 -3.643 -16.702 349 H LYS 51 H LYS 51 -17.103 2.634 -20.509 350 HA LYS 51 HA LYS 51 -19.436 2.762 -18.940 351 HB2 LYS 51 HB2 LYS 51 -17.732 4.591 -20.336 352 HB3 LYS 51 HB3 LYS 51 -19.405 4.972 -20.720 353 HG2 LYS 51 HG2 LYS 51 -19.856 5.702 -18.642 354 HG3 LYS 51 HG3 LYS 51 -18.839 4.480 -17.874 355 HD2 LYS 51 HD2 LYS 51 -17.737 6.491 -17.429 356 HD3 LYS 51 HD3 LYS 51 -16.864 5.830 -18.812 357 HE2 LYS 51 HE2 LYS 51 -17.352 7.617 -20.041 358 HE3 LYS 51 HE3 LYS 51 -19.073 7.431 -19.708 359 HZ1 LYS 51 HZ1 LYS 51 -17.263 9.337 -18.673 360 HZ2 LYS 51 HZ2 LYS 51 -17.932 8.446 -17.401 361 HZ3 LYS 51 HZ3 LYS 51 -18.943 9.258 -18.488 362 H ILE 52 H ILE 52 -19.138 3.351 -22.449 363 HA ILE 52 HA ILE 52 -21.846 3.373 -23.037 364 HB ILE 52 HB ILE 52 -19.600 2.397 -24.807 365 HG12 ILE 52 HG12 ILE 52 -20.880 5.120 -24.862 366 HG13 ILE 52 HG13 ILE 52 -19.528 4.774 -23.789 367 HG21 ILE 52 HG21 ILE 52 -21.528 1.663 -25.871 368 HG22 ILE 52 HG22 ILE 52 -22.469 3.057 -25.343 369 HG23 ILE 52 HG23 ILE 52 -21.250 3.243 -26.603 370 HD11 ILE 52 HD11 ILE 52 -19.058 3.943 -26.539 371 HD12 ILE 52 HD12 ILE 52 -19.338 5.675 -26.357 372 HD13 ILE 52 HD13 ILE 52 -18.048 4.889 -25.446 373 H ALA 53 H ALA 53 -19.594 0.619 -23.199 374 HA ALA 53 HA ALA 53 -21.339 -1.334 -24.075 375 HB1 ALA 53 HB1 ALA 53 -18.992 -1.533 -22.200 376 HB2 ALA 53 HB2 ALA 53 -19.846 -2.937 -22.842 377 HB3 ALA 53 HB3 ALA 53 -19.021 -1.830 -23.939 378 H GLU 54 H GLU 54 -20.563 -0.530 -20.686 379 HA GLU 54 HA GLU 54 -22.318 -2.307 -19.468 380 HB2 GLU 54 HB2 GLU 54 -21.119 0.308 -18.638 381 HB3 GLU 54 HB3 GLU 54 -22.336 -0.447 -17.619 382 HG2 GLU 54 HG2 GLU 54 -20.130 -2.186 -18.505 383 HG3 GLU 54 HG3 GLU 54 -19.705 -0.894 -17.383 384 H LYS 55 H LYS 55 -22.878 0.993 -20.611 385 HA LYS 55 HA LYS 55 -25.460 1.349 -19.613 386 HB2 LYS 55 HB2 LYS 55 -23.733 2.640 -21.555 387 HB3 LYS 55 HB3 LYS 55 -25.413 2.666 -22.076 388 HG2 LYS 55 HG2 LYS 55 -24.960 4.665 -20.849 389 HG3 LYS 55 HG3 LYS 55 -26.027 3.645 -19.883 390 HD2 LYS 55 HD2 LYS 55 -24.330 3.072 -18.392 391 HD3 LYS 55 HD3 LYS 55 -23.054 3.532 -19.521 392 HE2 LYS 55 HE2 LYS 55 -23.143 5.200 -17.821 393 HE3 LYS 55 HE3 LYS 55 -23.820 5.902 -19.289 394 HZ1 LYS 55 HZ1 LYS 55 -25.653 4.630 -17.392 395 HZ2 LYS 55 HZ2 LYS 55 -25.906 5.954 -18.415 396 HZ3 LYS 55 HZ3 LYS 55 -25.018 6.146 -16.988 397 H ILE 56 H ILE 56 -24.444 0.173 -22.818 398 HA ILE 56 HA ILE 56 -26.991 -0.325 -23.844 399 HB ILE 56 HB ILE 56 -24.435 -1.816 -24.449 400 HG12 ILE 56 HG12 ILE 56 -24.257 0.617 -24.798 401 HG13 ILE 56 HG13 ILE 56 -24.208 -0.260 -26.323 402 HG21 ILE 56 HG21 ILE 56 -26.195 -3.124 -25.297 403 HG22 ILE 56 HG22 ILE 56 -27.095 -1.708 -25.837 404 HG23 ILE 56 HG23 ILE 56 -25.615 -2.183 -26.672 405 HD11 ILE 56 HD11 ILE 56 -25.982 1.810 -25.485 406 HD12 ILE 56 HD12 ILE 56 -25.830 1.041 -27.064 407 HD13 ILE 56 HD13 ILE 56 -26.904 0.353 -25.848 408 H ILE 57 H ILE 57 -24.723 -2.690 -22.425 409 HA ILE 57 HA ILE 57 -26.391 -4.892 -22.421 410 HB ILE 57 HB ILE 57 -24.324 -4.186 -20.335 411 HG12 ILE 57 HG12 ILE 57 -23.386 -4.189 -22.588 412 HG13 ILE 57 HG13 ILE 57 -22.821 -5.598 -21.697 413 HG21 ILE 57 HG21 ILE 57 -24.202 -6.688 -20.078 414 HG22 ILE 57 HG22 ILE 57 -25.672 -5.932 -19.468 415 HG23 ILE 57 HG23 ILE 57 -25.693 -6.778 -21.014 416 HD11 ILE 57 HD11 ILE 57 -23.384 -6.704 -23.552 417 HD12 ILE 57 HD12 ILE 57 -25.025 -6.594 -22.918 418 HD13 ILE 57 HD13 ILE 57 -24.460 -5.424 -24.110 419 H ASP 58 H ASP 58 -26.127 -2.308 -20.024 420 HA ASP 58 HA ASP 58 -27.796 -3.413 -18.064 421 HB2 ASP 58 HB2 ASP 58 -26.938 -0.632 -18.762 422 HB3 ASP 58 HB3 ASP 58 -28.216 -0.860 -17.572 423 H LYS 59 H LYS 59 -28.647 -0.842 -20.390 424 HA LYS 59 HA LYS 59 -31.398 -0.910 -19.930 425 HB2 LYS 59 HB2 LYS 59 -29.984 0.810 -21.232 426 HB3 LYS 59 HB3 LYS 59 -30.211 -0.252 -22.615 427 HG2 LYS 59 HG2 LYS 59 -32.751 -0.034 -21.877 428 HG3 LYS 59 HG3 LYS 59 -32.154 1.490 -21.219 429 HD2 LYS 59 HD2 LYS 59 -31.572 0.649 -24.044 430 HD3 LYS 59 HD3 LYS 59 -33.056 1.503 -23.614 431 HE2 LYS 59 HE2 LYS 59 -31.734 3.287 -24.132 432 HE3 LYS 59 HE3 LYS 59 -31.345 3.128 -22.420 433 HZ1 LYS 59 HZ1 LYS 59 -29.377 1.861 -23.022 434 HZ2 LYS 59 HZ2 LYS 59 -29.353 3.385 -23.756 435 HZ3 LYS 59 HZ3 LYS 59 -29.750 2.014 -24.665 436 H ALA 60 H ALA 60 -29.372 -3.003 -21.801 437 HA ALA 60 HA ALA 60 -31.377 -4.106 -23.481 438 HB1 ALA 60 HB1 ALA 60 -28.627 -4.963 -22.671 439 HB2 ALA 60 HB2 ALA 60 -29.664 -6.037 -23.610 440 HB3 ALA 60 HB3 ALA 60 -29.218 -4.457 -24.253 441 H LYS 61 H LYS 61 -29.705 -5.591 -20.697 442 HA LYS 61 HA LYS 61 -31.518 -7.724 -20.427 443 HB2 LYS 61 HB2 LYS 61 -30.398 -8.242 -18.400 444 HB3 LYS 61 HB3 LYS 61 -29.177 -7.576 -19.477 445 HG2 LYS 61 HG2 LYS 61 -30.014 -5.341 -18.184 446 HG3 LYS 61 HG3 LYS 61 -30.197 -6.564 -16.925 447 HD2 LYS 61 HD2 LYS 61 -27.684 -6.570 -18.508 448 HD3 LYS 61 HD3 LYS 61 -27.907 -5.279 -17.325 449 HE2 LYS 61 HE2 LYS 61 -27.200 -6.698 -15.766 450 HE3 LYS 61 HE3 LYS 61 -28.688 -7.612 -16.012 451 HZ1 LYS 61 HZ1 LYS 61 -26.995 -8.381 -18.043 452 HZ2 LYS 61 HZ2 LYS 61 -27.418 -9.284 -16.677 453 HZ3 LYS 61 HZ3 LYS 61 -26.021 -8.331 -16.661 454 H THR 62 H THR 62 -31.621 -4.443 -19.335 455 HA THR 62 HA THR 62 -33.575 -4.837 -17.281 456 HB THR 62 HB THR 62 -32.767 -2.311 -18.736 457 HG1 THR 62 HG1 THR 62 -31.880 -3.600 -16.376 458 HG21 THR 62 HG21 THR 62 -34.627 -2.835 -16.452 459 HG22 THR 62 HG22 THR 62 -34.814 -1.737 -17.819 460 HG23 THR 62 HG23 THR 62 -33.710 -1.331 -16.506 461 H THR 63 H THR 63 -33.661 -4.399 -20.711 462 HA THR 63 HA THR 63 -36.511 -3.765 -20.701 463 HB THR 63 HB THR 63 -34.593 -4.048 -23.024 464 HG1 THR 63 HG1 THR 63 -34.647 -1.787 -23.024 465 HG21 THR 63 HG21 THR 63 -36.535 -4.323 -24.154 466 HG22 THR 63 HG22 THR 63 -36.655 -2.575 -23.958 467 HG23 THR 63 HG23 THR 63 -37.510 -3.648 -22.850 468 H LEU 64 H LEU 64 -34.318 -6.254 -21.989 469 HA LEU 64 HA LEU 64 -36.510 -8.185 -21.821 470 HB2 LEU 64 HB2 LEU 64 -35.032 -7.375 -24.266 471 HB3 LEU 64 HB3 LEU 64 -35.422 -9.083 -24.069 472 HG LEU 64 HG LEU 64 -37.417 -6.819 -24.116 473 HD11 LEU 64 HD11 LEU 64 -37.376 -8.933 -26.181 474 HD12 LEU 64 HD12 LEU 64 -36.099 -7.718 -26.258 475 HD13 LEU 64 HD13 LEU 64 -37.790 -7.222 -26.310 476 HD21 LEU 64 HD21 LEU 64 -37.598 -9.685 -23.444 477 HD22 LEU 64 HD22 LEU 64 -38.845 -9.061 -24.525 478 HD23 LEU 64 HD23 LEU 64 -38.608 -8.331 -22.937 Start of MODEL 3 1 H1 ALA 1 H ALA 1 2.323 -6.689 -9.703 2 HA ALA 1 HA ALA 1 2.959 -7.161 -6.924 3 HB1 ALA 1 HB1 ALA 1 3.009 -4.901 -8.055 4 HB2 ALA 1 HB2 ALA 1 1.246 -4.945 -8.021 5 HB3 ALA 1 HB3 ALA 1 2.158 -4.976 -6.512 6 H LYS 2 H LYS 2 1.310 -7.043 -5.229 7 HA LYS 2 HA LYS 2 -0.943 -8.743 -5.894 8 HB2 LYS 2 HB2 LYS 2 0.690 -8.402 -3.637 9 HB3 LYS 2 HB3 LYS 2 -0.903 -7.838 -3.150 10 HG2 LYS 2 HG2 LYS 2 -1.836 -9.901 -3.298 11 HG3 LYS 2 HG3 LYS 2 -0.763 -10.415 -4.602 12 HD2 LYS 2 HD2 LYS 2 0.725 -11.290 -3.174 13 HD3 LYS 2 HD3 LYS 2 0.639 -9.893 -2.097 14 HE2 LYS 2 HE2 LYS 2 -1.482 -10.775 -1.185 15 HE3 LYS 2 HE3 LYS 2 -1.306 -12.198 -2.212 16 HZ1 LYS 2 HZ1 LYS 2 -0.362 -11.954 0.315 17 HZ2 LYS 2 HZ2 LYS 2 1.019 -11.651 -0.615 18 HZ3 LYS 2 HZ3 LYS 2 0.162 -13.097 -0.818 19 H ALA 3 H ALA 3 -0.433 -5.558 -4.394 20 HA ALA 3 HA ALA 3 -3.171 -4.923 -4.126 21 HB1 ALA 3 HB1 ALA 3 -0.646 -3.321 -4.093 22 HB2 ALA 3 HB2 ALA 3 -2.215 -2.515 -4.070 23 HB3 ALA 3 HB3 ALA 3 -1.785 -3.644 -2.785 24 H CYS 4 H CYS 4 -4.394 -3.332 -5.311 25 HA CYS 4 HA CYS 4 -3.508 -2.761 -8.032 26 HB2 CYS 4 HB2 CYS 4 -5.714 -4.603 -7.297 27 HB3 CYS 4 HB3 CYS 4 -6.039 -3.474 -8.608 28 H THR 5 H THR 5 -4.891 -1.179 -9.123 29 HA THR 5 HA THR 5 -6.302 0.550 -7.195 30 HB THR 5 HB THR 5 -4.690 1.385 -9.614 31 HG1 THR 5 HG1 THR 5 -3.591 0.772 -7.564 32 HG21 THR 5 HG21 THR 5 -5.796 3.317 -9.595 33 HG22 THR 5 HG22 THR 5 -5.378 3.554 -7.898 34 HG23 THR 5 HG23 THR 5 -6.855 2.693 -8.331 35 HA PRO 6 HA PRO 6 -9.400 -0.736 -10.362 36 HB2 PRO 6 HB2 PRO 6 -11.452 -0.914 -8.593 37 HB3 PRO 6 HB3 PRO 6 -10.318 -2.239 -8.887 38 HG2 PRO 6 HG2 PRO 6 -10.353 -0.234 -6.664 39 HG3 PRO 6 HG3 PRO 6 -10.054 -1.981 -6.591 40 HD2 PRO 6 HD2 PRO 6 -8.055 -0.155 -6.535 41 HD3 PRO 6 HD3 PRO 6 -7.862 -1.760 -7.271 42 H LEU 7 H LEU 7 -11.840 0.200 -10.360 43 HA LEU 7 HA LEU 7 -11.621 2.920 -10.956 44 HB2 LEU 7 HB2 LEU 7 -13.405 1.121 -11.607 45 HB3 LEU 7 HB3 LEU 7 -14.245 1.727 -10.181 46 HG LEU 7 HG LEU 7 -13.978 4.046 -11.304 47 HD11 LEU 7 HD11 LEU 7 -13.365 2.163 -13.555 48 HD12 LEU 7 HD12 LEU 7 -12.525 3.639 -13.082 49 HD13 LEU 7 HD13 LEU 7 -14.113 3.734 -13.843 50 HD21 LEU 7 HD21 LEU 7 -16.029 3.555 -12.719 51 HD22 LEU 7 HD22 LEU 7 -16.136 3.154 -11.005 52 HD23 LEU 7 HD23 LEU 7 -15.862 1.879 -12.194 53 H LEU 8 H LEU 8 -12.306 4.784 -9.906 54 HA LEU 8 HA LEU 8 -12.706 6.191 -8.163 55 HB2 LEU 8 HB2 LEU 8 -13.775 3.881 -6.582 56 HB3 LEU 8 HB3 LEU 8 -14.238 5.579 -6.505 57 HG LEU 8 HG LEU 8 -14.864 3.717 -8.796 58 HD11 LEU 8 HD11 LEU 8 -16.125 2.995 -6.916 59 HD12 LEU 8 HD12 LEU 8 -17.206 3.950 -7.930 60 HD13 LEU 8 HD13 LEU 8 -16.523 4.653 -6.465 61 HD21 LEU 8 HD21 LEU 8 -16.588 5.818 -8.937 62 HD22 LEU 8 HD22 LEU 8 -15.100 5.671 -9.874 63 HD23 LEU 8 HD23 LEU 8 -15.114 6.608 -8.379 64 H HIS 9 H HIS 9 -10.191 5.606 -8.276 65 HA HIS 9 HA HIS 9 -9.384 5.356 -5.488 66 HB2 HIS 9 HB2 HIS 9 -8.658 3.442 -7.645 67 HB3 HIS 9 HB3 HIS 9 -7.387 3.903 -6.516 68 HD1 HIS 9 HD1 HIS 9 -7.341 2.689 -4.343 69 HD2 HIS 9 HD2 HIS 9 -10.981 2.267 -6.300 70 HE1 HIS 9 HE1 HIS 9 -8.645 1.020 -2.986 71 H ASP 10 H ASP 10 -6.955 5.829 -5.295 72 HA ASP 10 HA ASP 10 -6.459 8.302 -6.686 73 HB2 ASP 10 HB2 ASP 10 -5.461 6.961 -4.298 74 HB3 ASP 10 HB3 ASP 10 -4.171 7.715 -5.230 75 H CYS 11 H CYS 11 -5.361 8.522 -8.513 76 HA CYS 11 HA CYS 11 -3.324 6.516 -9.199 77 HB2 CYS 11 HB2 CYS 11 -4.065 6.449 -11.492 78 HB3 CYS 11 HB3 CYS 11 -5.441 6.088 -10.454 79 H SER 12 H SER 12 -3.792 9.584 -8.406 80 HA SER 12 HA SER 12 -2.602 11.123 -10.422 81 HB2 SER 12 HB2 SER 12 -3.579 11.568 -7.826 82 HB3 SER 12 HB3 SER 12 -1.897 12.097 -7.791 83 HG SER 12 HG SER 12 -3.403 13.737 -8.468 84 H HIS 13 H HIS 13 -1.243 8.943 -8.106 85 HA HIS 13 HA HIS 13 1.445 9.953 -8.321 86 HB2 HIS 13 HB2 HIS 13 0.196 7.547 -7.021 87 HB3 HIS 13 HB3 HIS 13 1.946 7.691 -7.157 88 HD1 HIS 13 HD1 HIS 13 2.870 10.102 -6.115 89 HD2 HIS 13 HD2 HIS 13 -0.775 8.646 -4.755 90 HE1 HIS 13 HE1 HIS 13 2.449 11.278 -3.932 91 H ASP 14 H ASP 14 -0.550 7.856 -10.131 92 HA ASP 14 HA ASP 14 1.459 7.452 -12.107 93 HB2 ASP 14 HB2 ASP 14 0.931 5.298 -10.137 94 HB3 ASP 14 HB3 ASP 14 1.026 4.810 -11.826 95 H ARG 15 H ARG 15 0.418 7.488 -13.980 96 HA ARG 15 HA ARG 15 -2.437 7.172 -14.078 97 HB2 ARG 15 HB2 ARG 15 -0.589 7.484 -16.441 98 HB3 ARG 15 HB3 ARG 15 -2.290 7.921 -16.331 99 HG2 ARG 15 HG2 ARG 15 -1.786 9.735 -14.841 100 HG3 ARG 15 HG3 ARG 15 -0.093 9.244 -14.756 101 HD2 ARG 15 HD2 ARG 15 -1.334 9.871 -17.401 102 HD3 ARG 15 HD3 ARG 15 -0.817 11.183 -16.344 103 HE ARG 15 HE ARG 15 1.328 9.477 -16.482 104 HH11 ARG 15 HH11 ARG 15 -0.589 11.283 -18.760 105 HH12 ARG 15 HH12 ARG 15 0.710 11.491 -19.886 106 HH21 ARG 15 HH21 ARG 15 3.046 9.745 -17.958 107 HH22 ARG 15 HH22 ARG 15 2.777 10.615 -19.430 108 H HIS 16 H HIS 16 0.255 5.124 -14.499 109 HA HIS 16 HA HIS 16 -1.384 3.147 -15.939 110 HB2 HIS 16 HB2 HIS 16 1.562 3.667 -15.845 111 HB3 HIS 16 HB3 HIS 16 0.989 2.038 -16.186 112 HD1 HIS 16 HD1 HIS 16 -0.025 1.601 -18.482 113 HD2 HIS 16 HD2 HIS 16 0.967 5.584 -17.848 114 HE1 HIS 16 HE1 HIS 16 -0.218 2.708 -20.732 115 H SER 17 H SER 17 -1.687 3.635 -13.139 116 HA SER 17 HA SER 17 -0.407 1.328 -11.874 117 HB2 SER 17 HB2 SER 17 -1.676 3.832 -10.887 118 HB3 SER 17 HB3 SER 17 -1.785 2.410 -9.850 119 HG SER 17 HG SER 17 0.124 3.135 -9.258 120 H CYS 18 H CYS 18 -3.562 2.592 -12.764 121 HA CYS 18 HA CYS 18 -5.229 0.829 -11.432 122 HB2 CYS 18 HB2 CYS 18 -5.503 2.155 -14.128 123 HB3 CYS 18 HB3 CYS 18 -6.792 1.189 -13.415 124 H CYS 19 H CYS 19 -5.737 -1.266 -11.624 125 HA CYS 19 HA CYS 19 -4.217 -2.899 -13.448 126 HB2 CYS 19 HB2 CYS 19 -6.219 -3.518 -11.280 127 HB3 CYS 19 HB3 CYS 19 -5.538 -4.770 -12.314 128 H ARG 20 H ARG 20 -5.363 -4.702 -14.639 129 HA ARG 20 HA ARG 20 -7.328 -3.518 -16.381 130 HB2 ARG 20 HB2 ARG 20 -5.523 -4.924 -17.279 131 HB3 ARG 20 HB3 ARG 20 -6.140 -6.298 -16.370 132 HG2 ARG 20 HG2 ARG 20 -8.096 -6.415 -17.693 133 HG3 ARG 20 HG3 ARG 20 -7.769 -4.848 -18.435 134 HD2 ARG 20 HD2 ARG 20 -6.350 -5.722 -19.940 135 HD3 ARG 20 HD3 ARG 20 -5.616 -6.806 -18.758 136 HE ARG 20 HE ARG 20 -8.159 -7.784 -19.323 137 HH11 ARG 20 HH11 ARG 20 -5.138 -7.257 -20.971 138 HH12 ARG 20 HH12 ARG 20 -5.369 -8.563 -22.086 139 HH21 ARG 20 HH21 ARG 20 -8.474 -9.506 -20.786 140 HH22 ARG 20 HH22 ARG 20 -7.267 -9.840 -21.980 141 H GLY 21 H GLY 21 -9.404 -4.395 -16.846 142 HA2 GLY 21 HA2 GLY 21 -10.599 -5.737 -14.512 143 HA3 GLY 21 HA3 GLY 21 -11.465 -4.703 -15.639 144 H ASP 22 H ASP 22 -12.835 -6.794 -15.337 145 HA ASP 22 HA ASP 22 -11.984 -9.053 -16.909 146 HB2 ASP 22 HB2 ASP 22 -14.279 -8.377 -15.182 147 HB3 ASP 22 HB3 ASP 22 -14.649 -9.455 -16.526 148 H MET 23 H MET 23 -13.757 -6.133 -17.437 149 HA MET 23 HA MET 23 -14.599 -7.092 -20.089 150 HB2 MET 23 HB2 MET 23 -15.589 -4.611 -18.688 151 HB3 MET 23 HB3 MET 23 -16.293 -5.412 -20.087 152 HG2 MET 23 HG2 MET 23 -16.574 -7.423 -18.480 153 HG3 MET 23 HG3 MET 23 -16.369 -6.215 -17.215 154 HE1 MET 23 HE1 MET 23 -19.863 -5.448 -16.564 155 HE2 MET 23 HE2 MET 23 -19.110 -7.035 -16.411 156 HE3 MET 23 HE3 MET 23 -18.181 -5.579 -16.050 157 H PHE 24 H PHE 24 -13.321 -4.190 -18.463 158 HA PHE 24 HA PHE 24 -11.580 -3.713 -20.749 159 HB2 PHE 24 HB2 PHE 24 -13.323 -1.487 -19.694 160 HB3 PHE 24 HB3 PHE 24 -12.282 -1.461 -21.113 161 HD1 PHE 24 HD1 PHE 24 -15.443 -2.716 -19.727 162 HD2 PHE 24 HD2 PHE 24 -13.008 -2.359 -23.200 163 HE1 PHE 24 HE1 PHE 24 -17.347 -3.399 -21.129 164 HE2 PHE 24 HE2 PHE 24 -14.908 -3.042 -24.607 165 HZ PHE 24 HZ PHE 24 -17.081 -3.563 -23.571 166 H LYS 25 H LYS 25 -9.891 -2.144 -20.300 167 HA LYS 25 HA LYS 25 -9.000 -2.338 -17.556 168 HB2 LYS 25 HB2 LYS 25 -7.319 -2.739 -19.183 169 HB3 LYS 25 HB3 LYS 25 -7.740 -1.289 -20.084 170 HG2 LYS 25 HG2 LYS 25 -6.557 0.074 -18.715 171 HG3 LYS 25 HG3 LYS 25 -6.847 -0.922 -17.287 172 HD2 LYS 25 HD2 LYS 25 -4.711 -1.557 -17.541 173 HD3 LYS 25 HD3 LYS 25 -5.331 -2.583 -18.838 174 HE2 LYS 25 HE2 LYS 25 -4.654 0.240 -19.480 175 HE3 LYS 25 HE3 LYS 25 -3.328 -0.893 -19.223 176 HZ1 LYS 25 HZ1 LYS 25 -4.000 -2.198 -21.009 177 HZ2 LYS 25 HZ2 LYS 25 -4.209 -0.619 -21.578 178 HZ3 LYS 25 HZ3 LYS 25 -5.548 -1.519 -21.068 179 H TYR 26 H TYR 26 -8.574 -0.627 -16.169 180 HA TYR 26 HA TYR 26 -10.165 1.757 -16.670 181 HB2 TYR 26 HB2 TYR 26 -8.638 1.009 -14.170 182 HB3 TYR 26 HB3 TYR 26 -9.897 2.231 -14.319 183 HD1 TYR 26 HD1 TYR 26 -12.134 1.118 -15.506 184 HD2 TYR 26 HD2 TYR 26 -9.301 -0.874 -13.035 185 HE1 TYR 26 HE1 TYR 26 -13.836 -0.557 -14.916 186 HE2 TYR 26 HE2 TYR 26 -10.994 -2.555 -12.439 187 HH TYR 26 HH TYR 26 -13.837 -2.975 -14.110 188 H VAL 27 H VAL 27 -9.368 3.861 -16.599 189 HA VAL 27 HA VAL 27 -6.444 4.101 -16.897 190 HB VAL 27 HB VAL 27 -8.092 4.563 -18.916 191 HG11 VAL 27 HG11 VAL 27 -9.010 6.674 -19.064 192 HG12 VAL 27 HG12 VAL 27 -9.259 6.299 -17.358 193 HG13 VAL 27 HG13 VAL 27 -7.927 7.346 -17.847 194 HG21 VAL 27 HG21 VAL 27 -6.233 5.317 -19.891 195 HG22 VAL 27 HG22 VAL 27 -6.166 6.734 -18.844 196 HG23 VAL 27 HG23 VAL 27 -5.474 5.205 -18.302 197 H CYS 28 H CYS 28 -5.823 6.558 -16.646 198 HA CYS 28 HA CYS 28 -6.879 7.377 -14.037 199 HB2 CYS 28 HB2 CYS 28 -4.396 6.961 -14.397 200 HB3 CYS 28 HB3 CYS 28 -4.390 8.415 -15.391 201 H ASP 29 H ASP 29 -8.350 8.931 -14.025 202 HA ASP 29 HA ASP 29 -8.392 10.876 -16.223 203 HB2 ASP 29 HB2 ASP 29 -10.481 9.790 -14.377 204 HB3 ASP 29 HB3 ASP 29 -10.708 11.390 -15.078 205 H CYS 30 H CYS 30 -7.405 12.733 -15.816 206 HA CYS 30 HA CYS 30 -7.273 13.714 -13.055 207 HB2 CYS 30 HB2 CYS 30 -5.680 14.392 -15.529 208 HB3 CYS 30 HB3 CYS 30 -5.548 15.300 -14.027 209 H PHE 31 H PHE 31 -8.150 15.622 -12.432 210 HA PHE 31 HA PHE 31 -9.263 17.421 -14.439 211 HB2 PHE 31 HB2 PHE 31 -10.859 15.844 -12.464 212 HB3 PHE 31 HB3 PHE 31 -11.382 17.477 -12.866 213 HD1 PHE 31 HD2 PHE 31 -11.422 17.966 -15.480 214 HD2 PHE 31 HD1 PHE 31 -11.726 14.116 -13.691 215 HE1 PHE 31 HE2 PHE 31 -12.526 17.115 -17.508 216 HE2 PHE 31 HE1 PHE 31 -12.829 13.259 -15.715 217 HZ PHE 31 HZ PHE 31 -13.231 14.757 -17.627 218 H TYR 32 H TYR 32 -10.430 19.309 -13.124 219 HA TYR 32 HA TYR 32 -8.920 19.961 -10.710 220 HB2 TYR 32 HB2 TYR 32 -9.094 21.988 -12.925 221 HB3 TYR 32 HB3 TYR 32 -8.040 21.988 -11.514 222 HD1 TYR 32 HD1 TYR 32 -8.600 20.533 -14.849 223 HD2 TYR 32 HD2 TYR 32 -5.961 20.788 -11.521 224 HE1 TYR 32 HE1 TYR 32 -6.816 19.502 -16.192 225 HE2 TYR 32 HE2 TYR 32 -4.169 19.759 -12.855 226 HH TYR 32 HH TYR 32 -4.610 19.045 -16.285 227 HA PRO 33 HA PRO 33 -12.705 21.730 -9.363 228 HB2 PRO 33 HB2 PRO 33 -11.807 23.690 -7.713 229 HB3 PRO 33 HB3 PRO 33 -11.717 21.972 -7.303 230 HG2 PRO 33 HG2 PRO 33 -9.588 23.775 -8.390 231 HG3 PRO 33 HG3 PRO 33 -9.474 22.554 -7.109 232 HD2 PRO 33 HD2 PRO 33 -8.632 22.092 -9.641 233 HD3 PRO 33 HD3 PRO 33 -9.304 20.812 -8.610 234 H GLU 34 H GLU 34 -12.939 22.534 -11.688 235 HA GLU 34 HA GLU 34 -13.489 24.172 -13.171 236 HB2 GLU 34 HB2 GLU 34 -14.947 24.676 -11.080 237 HB3 GLU 34 HB3 GLU 34 -13.862 26.039 -10.849 238 HG2 GLU 34 HG2 GLU 34 -14.756 27.205 -12.538 239 HG3 GLU 34 HG3 GLU 34 -14.938 25.782 -13.561 240 H GLY 35 H GLY 35 -10.684 23.960 -12.226 241 HA2 GLY 35 HA2 GLY 35 -9.572 26.084 -13.663 242 HA3 GLY 35 HA3 GLY 35 -9.533 26.523 -11.961 243 H GLU 36 H GLU 36 -7.672 25.348 -14.317 244 HA GLU 36 HA GLU 36 -6.411 23.136 -13.010 245 HB2 GLU 36 HB2 GLU 36 -4.877 23.129 -14.824 246 HB3 GLU 36 HB3 GLU 36 -6.446 23.543 -15.501 247 HG2 GLU 36 HG2 GLU 36 -5.783 25.934 -15.426 248 HG3 GLU 36 HG3 GLU 36 -4.175 25.424 -14.911 249 H ASP 37 H ASP 37 -6.319 26.448 -12.517 250 HA ASP 37 HA ASP 37 -3.569 26.458 -11.522 251 HB2 ASP 37 HB2 ASP 37 -5.085 28.383 -12.813 252 HB3 ASP 37 HB3 ASP 37 -5.105 28.910 -11.132 253 H LYS 38 H LYS 38 -5.747 24.957 -10.214 254 HA LYS 38 HA LYS 38 -5.641 26.283 -7.586 255 HB2 LYS 38 HB2 LYS 38 -7.894 24.726 -8.848 256 HB3 LYS 38 HB3 LYS 38 -7.810 25.022 -7.117 257 HG2 LYS 38 HG2 LYS 38 -7.460 27.529 -8.119 258 HG3 LYS 38 HG3 LYS 38 -8.559 26.815 -9.302 259 HD2 LYS 38 HD2 LYS 38 -9.946 26.049 -7.304 260 HD3 LYS 38 HD3 LYS 38 -8.957 27.148 -6.339 261 HE2 LYS 38 HE2 LYS 38 -9.840 28.532 -8.664 262 HE3 LYS 38 HE3 LYS 38 -11.232 27.744 -7.925 263 HZ1 LYS 38 HZ1 LYS 38 -10.927 29.939 -7.012 264 HZ2 LYS 38 HZ2 LYS 38 -9.336 29.578 -6.563 265 HZ3 LYS 38 HZ3 LYS 38 -10.628 28.784 -5.813 266 H THR 39 H THR 39 -6.695 23.067 -8.674 267 HA THR 39 HA THR 39 -4.411 21.797 -7.427 268 HB THR 39 HB THR 39 -7.197 21.294 -6.363 269 HG1 THR 39 HG1 THR 39 -6.597 22.865 -5.070 270 HG21 THR 39 HG21 THR 39 -4.570 19.905 -5.922 271 HG22 THR 39 HG22 THR 39 -6.134 19.204 -6.334 272 HG23 THR 39 HG23 THR 39 -5.855 19.851 -4.718 273 H GLU 40 H GLU 40 -3.994 19.792 -8.250 274 HA GLU 40 HA GLU 40 -5.711 18.936 -10.458 275 HB2 GLU 40 HB2 GLU 40 -3.758 17.455 -11.026 276 HB3 GLU 40 HB3 GLU 40 -3.426 19.180 -11.091 277 HG2 GLU 40 HG2 GLU 40 -1.843 19.032 -9.544 278 HG3 GLU 40 HG3 GLU 40 -2.862 18.068 -8.479 279 H VAL 41 H VAL 41 -7.172 17.421 -10.077 280 HA VAL 41 HA VAL 41 -6.599 15.389 -8.019 281 HB VAL 41 HB VAL 41 -9.338 16.214 -8.978 282 HG11 VAL 41 HG11 VAL 41 -10.168 14.656 -7.602 283 HG12 VAL 41 HG12 VAL 41 -8.543 13.967 -7.629 284 HG13 VAL 41 HG13 VAL 41 -9.023 15.048 -6.319 285 HG21 VAL 41 HG21 VAL 41 -8.479 18.152 -7.941 286 HG22 VAL 41 HG22 VAL 41 -9.465 17.354 -6.715 287 HG23 VAL 41 HG23 VAL 41 -7.707 17.218 -6.659 288 H CYS 42 H CYS 42 -6.163 13.450 -8.814 289 HA CYS 42 HA CYS 42 -7.426 12.652 -11.356 290 HB2 CYS 42 HB2 CYS 42 -4.771 11.702 -10.259 291 HB3 CYS 42 HB3 CYS 42 -5.471 11.285 -11.820 292 H SER 43 H SER 43 -8.415 10.689 -11.480 293 HA SER 43 HA SER 43 -8.196 8.828 -9.244 294 HB2 SER 43 HB2 SER 43 -10.822 8.689 -9.387 295 HB3 SER 43 HB3 SER 43 -10.051 9.919 -8.386 296 HG SER 43 HG SER 43 -10.780 10.389 -11.079 297 H CYS 44 H CYS 44 -9.039 6.714 -9.715 298 HA CYS 44 HA CYS 44 -8.516 5.886 -12.375 299 HB2 CYS 44 HB2 CYS 44 -8.363 4.591 -10.082 300 HB3 CYS 44 HB3 CYS 44 -10.024 4.145 -10.465 301 H GLN 45 H GLN 45 -9.819 6.119 -14.058 302 HA GLN 45 HA GLN 45 -12.666 5.547 -13.754 303 HB2 GLN 45 HB2 GLN 45 -11.517 8.132 -14.780 304 HB3 GLN 45 HB3 GLN 45 -13.117 7.583 -15.260 305 HG2 GLN 45 HG2 GLN 45 -12.968 7.383 -12.447 306 HG3 GLN 45 HG3 GLN 45 -12.330 8.962 -12.904 307 HE21 GLN 45 HE21 GLN 45 -15.025 7.475 -11.953 308 HE22 GLN 45 HE22 GLN 45 -16.221 8.454 -12.723 309 H GLN 46 H GLN 46 -13.729 5.641 -16.035 310 HA GLN 46 HA GLN 46 -12.115 3.936 -17.738 311 HB2 GLN 46 HB2 GLN 46 -15.016 4.759 -17.805 312 HB3 GLN 46 HB3 GLN 46 -14.275 3.777 -19.063 313 HG2 GLN 46 HG2 GLN 46 -13.708 2.079 -17.391 314 HG3 GLN 46 HG3 GLN 46 -14.484 3.058 -16.148 315 HE21 GLN 46 HE21 GLN 46 -16.119 1.725 -15.600 316 HE22 GLN 46 HE22 GLN 46 -17.373 1.227 -16.678 317 HA PRO 47 HA PRO 47 -10.936 7.080 -20.584 318 HB2 PRO 47 HB2 PRO 47 -10.490 5.533 -22.769 319 HB3 PRO 47 HB3 PRO 47 -9.398 5.571 -21.380 320 HG2 PRO 47 HG2 PRO 47 -11.518 3.573 -22.068 321 HG3 PRO 47 HG3 PRO 47 -9.876 3.297 -21.457 322 HD2 PRO 47 HD2 PRO 47 -12.061 3.206 -19.859 323 HD3 PRO 47 HD3 PRO 47 -10.476 3.755 -19.279 324 H LYS 48 H LYS 48 -11.766 8.316 -22.246 325 HA LYS 48 HA LYS 48 -14.504 8.299 -22.707 326 HB2 LYS 48 HB2 LYS 48 -12.602 10.093 -23.174 327 HB3 LYS 48 HB3 LYS 48 -12.711 9.434 -24.802 328 HG2 LYS 48 HG2 LYS 48 -14.448 10.744 -25.188 329 HG3 LYS 48 HG3 LYS 48 -15.351 9.895 -23.932 330 HD2 LYS 48 HD2 LYS 48 -15.385 12.217 -23.390 331 HD3 LYS 48 HD3 LYS 48 -14.284 11.429 -22.257 332 HE2 LYS 48 HE2 LYS 48 -12.449 12.456 -23.117 333 HE3 LYS 48 HE3 LYS 48 -13.100 12.489 -24.755 334 HZ1 LYS 48 HZ1 LYS 48 -14.391 14.368 -24.266 335 HZ2 LYS 48 HZ2 LYS 48 -12.876 14.697 -23.591 336 HZ3 LYS 48 HZ3 LYS 48 -14.159 14.218 -22.597 337 H SER 49 H SER 49 -11.945 6.615 -24.358 338 HA SER 49 HA SER 49 -13.343 5.995 -26.738 339 HB2 SER 49 HB2 SER 49 -10.771 5.566 -25.756 340 HB3 SER 49 HB3 SER 49 -11.439 3.944 -25.936 341 HG SER 49 HG SER 49 -11.783 4.325 -28.082 342 H HIS 50 H HIS 50 -12.778 4.097 -23.778 343 HA HIS 50 HA HIS 50 -14.334 1.879 -24.555 344 HB2 HIS 50 HB2 HIS 50 -13.391 2.904 -21.887 345 HB3 HIS 50 HB3 HIS 50 -14.414 1.475 -22.008 346 HD1 HIS 50 HD1 HIS 50 -11.657 1.120 -20.847 347 HD2 HIS 50 HD2 HIS 50 -12.456 0.773 -24.909 348 HE1 HIS 50 HE1 HIS 50 -9.796 -0.291 -21.781 349 H LYS 51 H LYS 51 -15.116 4.798 -22.720 350 HA LYS 51 HA LYS 51 -17.712 4.100 -21.942 351 HB2 LYS 51 HB2 LYS 51 -16.435 6.778 -22.491 352 HB3 LYS 51 HB3 LYS 51 -18.075 6.618 -21.876 353 HG2 LYS 51 HG2 LYS 51 -15.586 5.593 -20.524 354 HG3 LYS 51 HG3 LYS 51 -16.474 7.055 -20.089 355 HD2 LYS 51 HD2 LYS 51 -18.487 5.312 -19.974 356 HD3 LYS 51 HD3 LYS 51 -17.157 4.202 -19.635 357 HE2 LYS 51 HE2 LYS 51 -17.293 4.876 -17.516 358 HE3 LYS 51 HE3 LYS 51 -16.609 6.409 -18.054 359 HZ1 LYS 51 HZ1 LYS 51 -19.346 5.755 -17.319 360 HZ2 LYS 51 HZ2 LYS 51 -19.162 6.808 -18.630 361 HZ3 LYS 51 HZ3 LYS 51 -18.489 7.201 -17.128 362 H ILE 52 H ILE 52 -16.727 6.159 -24.688 363 HA ILE 52 HA ILE 52 -19.235 6.440 -25.847 364 HB ILE 52 HB ILE 52 -16.560 6.330 -27.246 365 HG12 ILE 52 HG12 ILE 52 -18.079 8.824 -26.550 366 HG13 ILE 52 HG13 ILE 52 -17.052 8.052 -25.348 367 HG21 ILE 52 HG21 ILE 52 -17.831 6.310 -29.093 368 HG22 ILE 52 HG22 ILE 52 -19.289 6.764 -28.212 369 HG23 ILE 52 HG23 ILE 52 -18.137 8.003 -28.707 370 HD11 ILE 52 HD11 ILE 52 -15.708 9.684 -26.323 371 HD12 ILE 52 HD12 ILE 52 -15.208 8.184 -27.105 372 HD13 ILE 52 HD13 ILE 52 -16.272 9.308 -27.950 373 H ALA 53 H ALA 53 -16.734 4.003 -26.529 374 HA ALA 53 HA ALA 53 -17.992 2.617 -28.562 375 HB1 ALA 53 HB1 ALA 53 -15.652 2.302 -27.477 376 HB2 ALA 53 HB2 ALA 53 -16.483 1.126 -26.457 377 HB3 ALA 53 HB3 ALA 53 -16.467 0.920 -28.209 378 H GLU 54 H GLU 54 -18.104 1.798 -25.088 379 HA GLU 54 HA GLU 54 -19.946 -0.264 -25.244 380 HB2 GLU 54 HB2 GLU 54 -19.172 1.662 -23.096 381 HB3 GLU 54 HB3 GLU 54 -20.571 0.629 -22.839 382 HG2 GLU 54 HG2 GLU 54 -18.288 -0.165 -21.990 383 HG3 GLU 54 HG3 GLU 54 -19.307 -1.311 -22.860 384 H LYS 55 H LYS 55 -20.520 3.212 -24.874 385 HA LYS 55 HA LYS 55 -23.266 3.189 -24.502 386 HB2 LYS 55 HB2 LYS 55 -21.498 5.182 -25.920 387 HB3 LYS 55 HB3 LYS 55 -23.205 5.469 -25.606 388 HG2 LYS 55 HG2 LYS 55 -21.344 4.762 -23.374 389 HG3 LYS 55 HG3 LYS 55 -21.453 6.418 -23.975 390 HD2 LYS 55 HD2 LYS 55 -23.919 4.889 -23.216 391 HD3 LYS 55 HD3 LYS 55 -22.950 5.712 -21.991 392 HE2 LYS 55 HE2 LYS 55 -23.240 7.597 -23.999 393 HE3 LYS 55 HE3 LYS 55 -24.810 6.800 -23.938 394 HZ1 LYS 55 HZ1 LYS 55 -23.991 7.266 -21.314 395 HZ2 LYS 55 HZ2 LYS 55 -25.281 7.979 -22.144 396 HZ3 LYS 55 HZ3 LYS 55 -23.754 8.706 -22.171 397 H ILE 56 H ILE 56 -21.499 3.468 -27.586 398 HA ILE 56 HA ILE 56 -23.724 3.475 -29.268 399 HB ILE 56 HB ILE 56 -20.967 2.382 -29.840 400 HG12 ILE 56 HG12 ILE 56 -20.903 4.716 -29.141 401 HG13 ILE 56 HG13 ILE 56 -20.578 4.598 -30.867 402 HG21 ILE 56 HG21 ILE 56 -22.002 3.346 -32.197 403 HG22 ILE 56 HG22 ILE 56 -21.899 1.649 -31.731 404 HG23 ILE 56 HG23 ILE 56 -23.387 2.552 -31.448 405 HD11 ILE 56 HD11 ILE 56 -23.245 4.970 -30.900 406 HD12 ILE 56 HD12 ILE 56 -22.808 5.866 -29.444 407 HD13 ILE 56 HD13 ILE 56 -22.060 6.272 -30.988 408 H ILE 57 H ILE 57 -21.608 0.717 -28.454 409 HA ILE 57 HA ILE 57 -22.990 -1.276 -29.766 410 HB ILE 57 HB ILE 57 -21.572 -1.511 -27.108 411 HG12 ILE 57 HG12 ILE 57 -20.133 -0.589 -28.856 412 HG13 ILE 57 HG13 ILE 57 -19.648 -2.236 -28.468 413 HG21 ILE 57 HG21 ILE 57 -22.475 -3.564 -27.135 414 HG22 ILE 57 HG22 ILE 57 -22.902 -3.463 -28.841 415 HG23 ILE 57 HG23 ILE 57 -21.260 -3.902 -28.368 416 HD11 ILE 57 HD11 ILE 57 -21.074 -1.232 -30.902 417 HD12 ILE 57 HD12 ILE 57 -19.543 -2.100 -30.794 418 HD13 ILE 57 HD13 ILE 57 -21.058 -2.940 -30.464 419 H ASP 58 H ASP 58 -23.383 -0.342 -26.346 420 HA ASP 58 HA ASP 58 -25.462 -2.034 -25.684 421 HB2 ASP 58 HB2 ASP 58 -24.943 0.786 -24.721 422 HB3 ASP 58 HB3 ASP 58 -26.068 -0.335 -23.958 423 H LYS 59 H LYS 59 -25.641 1.201 -27.124 424 HA LYS 59 HA LYS 59 -28.460 1.357 -27.182 425 HB2 LYS 59 HB2 LYS 59 -26.843 3.276 -27.440 426 HB3 LYS 59 HB3 LYS 59 -26.547 2.719 -29.082 427 HG2 LYS 59 HG2 LYS 59 -28.891 3.067 -29.638 428 HG3 LYS 59 HG3 LYS 59 -29.213 3.594 -27.985 429 HD2 LYS 59 HD2 LYS 59 -27.073 4.971 -29.536 430 HD3 LYS 59 HD3 LYS 59 -28.760 5.336 -29.910 431 HE2 LYS 59 HE2 LYS 59 -27.714 5.405 -27.096 432 HE3 LYS 59 HE3 LYS 59 -27.568 6.796 -28.171 433 HZ1 LYS 59 HZ1 LYS 59 -29.756 7.231 -28.045 434 HZ2 LYS 59 HZ2 LYS 59 -29.665 6.365 -26.594 435 HZ3 LYS 59 HZ3 LYS 59 -30.208 5.601 -28.003 436 H ALA 60 H ALA 60 -26.097 -0.002 -29.384 437 HA ALA 60 HA ALA 60 -27.797 -0.331 -31.617 438 HB1 ALA 60 HB1 ALA 60 -25.286 -0.463 -31.614 439 HB2 ALA 60 HB2 ALA 60 -25.446 -2.079 -30.923 440 HB3 ALA 60 HB3 ALA 60 -26.108 -1.734 -32.520 441 H LYS 61 H LYS 61 -26.876 -2.559 -29.000 442 HA LYS 61 HA LYS 61 -28.540 -4.679 -29.930 443 HB2 LYS 61 HB2 LYS 61 -27.513 -4.324 -27.116 444 HB3 LYS 61 HB3 LYS 61 -27.934 -5.826 -27.928 445 HG2 LYS 61 HG2 LYS 61 -26.036 -5.599 -29.409 446 HG3 LYS 61 HG3 LYS 61 -25.637 -4.034 -28.697 447 HD2 LYS 61 HD2 LYS 61 -24.837 -4.966 -26.760 448 HD3 LYS 61 HD3 LYS 61 -25.860 -6.398 -26.899 449 HE2 LYS 61 HE2 LYS 61 -23.631 -5.874 -28.837 450 HE3 LYS 61 HE3 LYS 61 -23.331 -6.659 -27.288 451 HZ1 LYS 61 HZ1 LYS 61 -23.686 -8.293 -29.008 452 HZ2 LYS 61 HZ2 LYS 61 -25.187 -7.616 -29.400 453 HZ3 LYS 61 HZ3 LYS 61 -24.961 -8.357 -27.896 454 H THR 62 H THR 62 -28.979 -1.963 -27.785 455 HA THR 62 HA THR 62 -31.406 -2.911 -26.599 456 HB THR 62 HB THR 62 -30.274 -0.110 -26.735 457 HG1 THR 62 HG1 THR 62 -29.832 -0.724 -24.436 458 HG21 THR 62 HG21 THR 62 -31.786 0.313 -24.801 459 HG22 THR 62 HG22 THR 62 -32.527 -1.262 -25.088 460 HG23 THR 62 HG23 THR 62 -32.644 0.003 -26.310 461 H THR 63 H THR 63 -30.578 -1.222 -29.505 462 HA THR 63 HA THR 63 -33.272 -0.263 -29.973 463 HB THR 63 HB THR 63 -30.839 -0.229 -31.770 464 HG1 THR 63 HG1 THR 63 -32.038 1.713 -30.069 465 HG21 THR 63 HG21 THR 63 -32.676 -0.101 -33.226 466 HG22 THR 63 HG22 THR 63 -32.233 1.581 -32.939 467 HG23 THR 63 HG23 THR 63 -33.613 0.878 -32.098 468 H LEU 64 H LEU 64 -31.139 -2.812 -31.165 469 HA LEU 64 HA LEU 64 -33.473 -4.208 -32.225 470 HB2 LEU 64 HB2 LEU 64 -31.174 -3.206 -33.812 471 HB3 LEU 64 HB3 LEU 64 -31.800 -4.805 -34.205 472 HG LEU 64 HG LEU 64 -33.495 -2.313 -34.156 473 HD11 LEU 64 HD11 LEU 64 -31.935 -3.589 -36.379 474 HD12 LEU 64 HD12 LEU 64 -31.965 -1.898 -35.879 475 HD13 LEU 64 HD13 LEU 64 -33.365 -2.604 -36.686 476 HD21 LEU 64 HD21 LEU 64 -34.674 -4.455 -33.861 477 HD22 LEU 64 HD22 LEU 64 -33.967 -5.035 -35.369 478 HD23 LEU 64 HD23 LEU 64 -35.081 -3.667 -35.384 Start of MODEL 4 1 H1 ALA 1 H ALA 1 5.963 -5.266 -2.013 2 HA ALA 1 HA ALA 1 3.367 -6.492 -2.435 3 HB1 ALA 1 HB1 ALA 1 2.203 -5.048 -0.845 4 HB2 ALA 1 HB2 ALA 1 3.363 -6.097 -0.028 5 HB3 ALA 1 HB3 ALA 1 3.749 -4.398 -0.298 6 H LYS 2 H LYS 2 2.282 -5.480 -4.011 7 HA LYS 2 HA LYS 2 3.218 -2.805 -4.821 8 HB2 LYS 2 HB2 LYS 2 2.343 -3.500 -7.117 9 HB3 LYS 2 HB3 LYS 2 3.825 -4.268 -6.565 10 HG2 LYS 2 HG2 LYS 2 2.860 -6.312 -6.372 11 HG3 LYS 2 HG3 LYS 2 1.276 -5.650 -5.961 12 HD2 LYS 2 HD2 LYS 2 0.681 -5.353 -8.159 13 HD3 LYS 2 HD3 LYS 2 2.353 -5.185 -8.701 14 HE2 LYS 2 HE2 LYS 2 2.403 -7.726 -7.831 15 HE3 LYS 2 HE3 LYS 2 0.710 -7.611 -8.308 16 HZ1 LYS 2 HZ1 LYS 2 2.051 -6.467 -10.380 17 HZ2 LYS 2 HZ2 LYS 2 1.439 -8.043 -10.350 18 HZ3 LYS 2 HZ3 LYS 2 3.056 -7.756 -9.944 19 H ALA 3 H ALA 3 1.774 -1.353 -4.149 20 HA ALA 3 HA ALA 3 -0.988 -1.951 -3.753 21 HB1 ALA 3 HB1 ALA 3 -1.091 0.030 -2.688 22 HB2 ALA 3 HB2 ALA 3 0.669 -0.069 -2.754 23 HB3 ALA 3 HB3 ALA 3 -0.206 0.879 -3.956 24 H CYS 4 H CYS 4 -2.620 -1.844 -5.151 25 HA CYS 4 HA CYS 4 -2.100 -0.739 -7.815 26 HB2 CYS 4 HB2 CYS 4 -3.262 -3.118 -7.015 27 HB3 CYS 4 HB3 CYS 4 -4.649 -2.121 -7.439 28 H THR 5 H THR 5 -4.471 -0.097 -8.796 29 HA THR 5 HA THR 5 -5.771 1.737 -6.913 30 HB THR 5 HB THR 5 -4.705 2.550 -9.624 31 HG1 THR 5 HG1 THR 5 -4.020 3.209 -6.949 32 HG21 THR 5 HG21 THR 5 -6.361 4.121 -7.644 33 HG22 THR 5 HG22 THR 5 -6.904 3.540 -9.217 34 HG23 THR 5 HG23 THR 5 -5.638 4.764 -9.118 35 HA PRO 6 HA PRO 6 -8.926 -0.583 -9.301 36 HB2 PRO 6 HB2 PRO 6 -10.705 -0.672 -7.254 37 HB3 PRO 6 HB3 PRO 6 -9.390 -1.838 -7.434 38 HG2 PRO 6 HG2 PRO 6 -9.546 0.585 -5.682 39 HG3 PRO 6 HG3 PRO 6 -8.928 -1.033 -5.301 40 HD2 PRO 6 HD2 PRO 6 -7.300 1.044 -5.908 41 HD3 PRO 6 HD3 PRO 6 -6.900 -0.635 -6.323 42 H LEU 7 H LEU 7 -11.488 -0.056 -9.105 43 HA LEU 7 HA LEU 7 -11.793 2.517 -10.219 44 HB2 LEU 7 HB2 LEU 7 -13.224 0.399 -10.528 45 HB3 LEU 7 HB3 LEU 7 -14.055 0.924 -9.064 46 HG LEU 7 HG LEU 7 -14.415 3.142 -10.359 47 HD11 LEU 7 HD11 LEU 7 -12.899 2.584 -12.210 48 HD12 LEU 7 HD12 LEU 7 -14.542 2.897 -12.766 49 HD13 LEU 7 HD13 LEU 7 -13.951 1.239 -12.652 50 HD21 LEU 7 HD21 LEU 7 -15.907 0.797 -10.030 51 HD22 LEU 7 HD22 LEU 7 -16.128 1.271 -11.715 52 HD23 LEU 7 HD23 LEU 7 -16.510 2.408 -10.420 53 H LEU 8 H LEU 8 -12.601 4.409 -9.406 54 HA LEU 8 HA LEU 8 -13.154 6.007 -7.883 55 HB2 LEU 8 HB2 LEU 8 -13.930 3.827 -5.972 56 HB3 LEU 8 HB3 LEU 8 -14.564 5.468 -6.081 57 HG LEU 8 HG LEU 8 -15.020 3.377 -8.202 58 HD11 LEU 8 HD11 LEU 8 -15.939 2.697 -5.985 59 HD12 LEU 8 HD12 LEU 8 -17.157 2.937 -7.236 60 HD13 LEU 8 HD13 LEU 8 -16.912 4.167 -5.997 61 HD21 LEU 8 HD21 LEU 8 -16.258 6.057 -7.603 62 HD22 LEU 8 HD22 LEU 8 -16.916 4.901 -8.761 63 HD23 LEU 8 HD23 LEU 8 -15.318 5.602 -9.023 64 H HIS 9 H HIS 9 -10.557 5.569 -7.995 65 HA HIS 9 HA HIS 9 -9.704 5.903 -5.223 66 HB2 HIS 9 HB2 HIS 9 -8.855 3.719 -7.037 67 HB3 HIS 9 HB3 HIS 9 -7.577 4.509 -6.117 68 HD1 HIS 9 HD1 HIS 9 -7.140 3.448 -3.937 69 HD2 HIS 9 HD2 HIS 9 -11.077 2.900 -5.147 70 HE1 HIS 9 HE1 HIS 9 -8.200 2.027 -2.153 71 H ASP 10 H ASP 10 -7.406 6.725 -5.127 72 HA ASP 10 HA ASP 10 -7.172 8.989 -6.840 73 HB2 ASP 10 HB2 ASP 10 -4.945 7.998 -5.084 74 HB3 ASP 10 HB3 ASP 10 -5.384 9.657 -5.484 75 H CYS 11 H CYS 11 -6.333 9.043 -8.807 76 HA CYS 11 HA CYS 11 -4.160 7.171 -9.473 77 HB2 CYS 11 HB2 CYS 11 -5.084 6.771 -11.643 78 HB3 CYS 11 HB3 CYS 11 -6.368 6.491 -10.472 79 H SER 12 H SER 12 -4.913 10.283 -8.998 80 HA SER 12 HA SER 12 -3.997 11.676 -11.234 81 HB2 SER 12 HB2 SER 12 -5.128 12.625 -9.158 82 HB3 SER 12 HB3 SER 12 -3.544 12.565 -8.383 83 HG SER 12 HG SER 12 -2.968 13.765 -10.508 84 H HIS 13 H HIS 13 -2.265 9.955 -8.764 85 HA HIS 13 HA HIS 13 0.291 11.134 -9.374 86 HB2 HIS 13 HB2 HIS 13 -0.584 8.827 -7.647 87 HB3 HIS 13 HB3 HIS 13 1.119 9.183 -7.921 88 HD1 HIS 13 HD1 HIS 13 2.046 11.392 -6.889 89 HD2 HIS 13 HD2 HIS 13 -1.897 10.539 -5.896 90 HE1 HIS 13 HE1 HIS 13 1.490 12.920 -4.971 91 H ASP 14 H ASP 14 -1.625 8.579 -10.614 92 HA ASP 14 HA ASP 14 0.302 8.023 -12.665 93 HB2 ASP 14 HB2 ASP 14 -0.161 6.077 -10.441 94 HB3 ASP 14 HB3 ASP 14 0.099 5.460 -12.070 95 H ARG 15 H ARG 15 -0.921 7.992 -14.421 96 HA ARG 15 HA ARG 15 -3.718 7.259 -14.267 97 HB2 ARG 15 HB2 ARG 15 -2.080 8.135 -16.653 98 HB3 ARG 15 HB3 ARG 15 -3.832 8.009 -16.588 99 HG2 ARG 15 HG2 ARG 15 -4.068 9.920 -15.370 100 HG3 ARG 15 HG3 ARG 15 -2.488 9.755 -14.601 101 HD2 ARG 15 HD2 ARG 15 -2.906 10.455 -17.503 102 HD3 ARG 15 HD3 ARG 15 -2.642 11.639 -16.223 103 HE ARG 15 HE ARG 15 -0.573 9.728 -16.186 104 HH11 ARG 15 HH11 ARG 15 -1.758 12.399 -18.080 105 HH12 ARG 15 HH12 ARG 15 -0.199 12.815 -18.709 106 HH21 ARG 15 HH21 ARG 15 1.486 10.266 -17.007 107 HH22 ARG 15 HH22 ARG 15 1.645 11.600 -18.099 108 H HIS 16 H HIS 16 -0.840 5.640 -14.793 109 HA HIS 16 HA HIS 16 -2.217 3.505 -16.287 110 HB2 HIS 16 HB2 HIS 16 0.544 4.602 -16.497 111 HB3 HIS 16 HB3 HIS 16 0.334 2.871 -16.744 112 HD1 HIS 16 HD1 HIS 16 -2.266 2.828 -18.335 113 HD2 HIS 16 HD2 HIS 16 0.813 5.528 -19.033 114 HE1 HIS 16 HE1 HIS 16 -2.561 3.584 -20.715 115 H SER 17 H SER 17 -2.011 4.041 -13.353 116 HA SER 17 HA SER 17 -0.453 1.718 -12.474 117 HB2 SER 17 HB2 SER 17 -1.425 4.206 -11.158 118 HB3 SER 17 HB3 SER 17 -1.293 2.760 -10.157 119 HG SER 17 HG SER 17 0.902 2.596 -10.935 120 H CYS 18 H CYS 18 -3.698 2.883 -12.843 121 HA CYS 18 HA CYS 18 -5.125 1.301 -11.090 122 HB2 CYS 18 HB2 CYS 18 -5.765 2.322 -13.847 123 HB3 CYS 18 HB3 CYS 18 -6.925 1.355 -12.941 124 H CYS 19 H CYS 19 -5.617 -0.801 -10.931 125 HA CYS 19 HA CYS 19 -4.199 -2.777 -12.245 126 HB2 CYS 19 HB2 CYS 19 -6.673 -2.726 -10.592 127 HB3 CYS 19 HB3 CYS 19 -6.348 -4.192 -11.511 128 H ARG 20 H ARG 20 -5.306 -4.628 -13.502 129 HA ARG 20 HA ARG 20 -6.330 -3.479 -15.938 130 HB2 ARG 20 HB2 ARG 20 -4.654 -5.417 -15.727 131 HB3 ARG 20 HB3 ARG 20 -6.053 -6.420 -15.367 132 HG2 ARG 20 HG2 ARG 20 -6.864 -6.303 -17.497 133 HG3 ARG 20 HG3 ARG 20 -6.123 -4.731 -17.810 134 HD2 ARG 20 HD2 ARG 20 -4.789 -6.089 -19.088 135 HD3 ARG 20 HD3 ARG 20 -3.892 -6.086 -17.571 136 HE ARG 20 HE ARG 20 -5.728 -8.225 -17.592 137 HH11 ARG 20 HH11 ARG 20 -2.732 -7.204 -19.041 138 HH12 ARG 20 HH12 ARG 20 -2.157 -8.817 -19.301 139 HH21 ARG 20 HH21 ARG 20 -4.982 -10.355 -17.930 140 HH22 ARG 20 HH22 ARG 20 -3.438 -10.608 -18.671 141 H GLY 21 H GLY 21 -8.211 -4.539 -17.062 142 HA2 GLY 21 HA2 GLY 21 -10.381 -4.952 -15.104 143 HA3 GLY 21 HA3 GLY 21 -10.596 -4.211 -16.683 144 H ASP 22 H ASP 22 -12.171 -6.330 -15.785 145 HA ASP 22 HA ASP 22 -11.401 -8.891 -16.453 146 HB2 ASP 22 HB2 ASP 22 -13.754 -7.699 -15.688 147 HB3 ASP 22 HB3 ASP 22 -14.128 -8.239 -17.322 148 H MET 23 H MET 23 -12.393 -6.265 -18.563 149 HA MET 23 HA MET 23 -11.822 -7.989 -20.884 150 HB2 MET 23 HB2 MET 23 -13.623 -5.562 -20.795 151 HB3 MET 23 HB3 MET 23 -13.340 -6.597 -22.188 152 HG2 MET 23 HG2 MET 23 -14.188 -8.436 -20.437 153 HG3 MET 23 HG3 MET 23 -15.040 -7.022 -19.819 154 HE1 MET 23 HE1 MET 23 -17.682 -8.512 -20.796 155 HE2 MET 23 HE2 MET 23 -17.123 -6.986 -20.109 156 HE3 MET 23 HE3 MET 23 -18.069 -6.990 -21.599 157 H PHE 24 H PHE 24 -11.594 -4.683 -19.617 158 HA PHE 24 HA PHE 24 -9.070 -4.355 -21.038 159 HB2 PHE 24 HB2 PHE 24 -11.208 -2.234 -21.243 160 HB3 PHE 24 HB3 PHE 24 -9.669 -2.301 -22.095 161 HD1 PHE 24 HD1 PHE 24 -13.057 -3.695 -21.898 162 HD2 PHE 24 HD2 PHE 24 -9.394 -3.627 -24.064 163 HE1 PHE 24 HE1 PHE 24 -14.155 -4.833 -23.783 164 HE2 PHE 24 HE2 PHE 24 -10.486 -4.764 -25.953 165 HZ PHE 24 HZ PHE 24 -12.870 -5.369 -25.814 166 H LYS 25 H LYS 25 -7.640 -2.980 -20.037 167 HA LYS 25 HA LYS 25 -7.778 -2.623 -17.306 168 HB2 LYS 25 HB2 LYS 25 -5.859 -1.195 -17.501 169 HB3 LYS 25 HB3 LYS 25 -5.718 -2.461 -18.714 170 HG2 LYS 25 HG2 LYS 25 -6.979 -0.537 -20.138 171 HG3 LYS 25 HG3 LYS 25 -6.012 0.442 -19.033 172 HD2 LYS 25 HD2 LYS 25 -4.281 0.110 -20.394 173 HD3 LYS 25 HD3 LYS 25 -4.297 -1.582 -19.894 174 HE2 LYS 25 HE2 LYS 25 -5.355 -2.276 -21.796 175 HE3 LYS 25 HE3 LYS 25 -6.192 -0.741 -22.021 176 HZ1 LYS 25 HZ1 LYS 25 -3.453 -1.488 -22.789 177 HZ2 LYS 25 HZ2 LYS 25 -3.818 0.136 -22.487 178 HZ3 LYS 25 HZ3 LYS 25 -4.644 -0.706 -23.701 179 H TYR 26 H TYR 26 -7.968 -0.695 -16.003 180 HA TYR 26 HA TYR 26 -10.260 0.868 -16.749 181 HB2 TYR 26 HB2 TYR 26 -8.476 0.999 -14.310 182 HB3 TYR 26 HB3 TYR 26 -9.974 1.901 -14.508 183 HD1 TYR 26 HD1 TYR 26 -11.710 -0.157 -15.740 184 HD2 TYR 26 HD2 TYR 26 -8.922 -0.456 -12.539 185 HE1 TYR 26 HE1 TYR 26 -12.977 -2.054 -14.820 186 HE2 TYR 26 HE2 TYR 26 -10.180 -2.354 -11.612 187 HH TYR 26 HH TYR 26 -13.279 -3.124 -12.517 188 H VAL 27 H VAL 27 -10.277 3.256 -16.511 189 HA VAL 27 HA VAL 27 -7.798 4.423 -17.600 190 HB VAL 27 HB VAL 27 -9.415 4.578 -19.309 191 HG11 VAL 27 HG11 VAL 27 -11.678 5.512 -18.936 192 HG12 VAL 27 HG12 VAL 27 -11.396 4.005 -18.063 193 HG13 VAL 27 HG13 VAL 27 -11.345 5.546 -17.205 194 HG21 VAL 27 HG21 VAL 27 -8.165 6.700 -18.640 195 HG22 VAL 27 HG22 VAL 27 -9.577 6.892 -19.679 196 HG23 VAL 27 HG23 VAL 27 -9.697 7.245 -17.956 197 H CYS 28 H CYS 28 -7.172 6.485 -16.902 198 HA CYS 28 HA CYS 28 -8.195 7.190 -14.252 199 HB2 CYS 28 HB2 CYS 28 -5.774 6.828 -14.471 200 HB3 CYS 28 HB3 CYS 28 -5.691 8.098 -15.686 201 H ASP 29 H ASP 29 -9.746 8.669 -14.205 202 HA ASP 29 HA ASP 29 -9.896 10.693 -16.304 203 HB2 ASP 29 HB2 ASP 29 -11.804 9.678 -14.223 204 HB3 ASP 29 HB3 ASP 29 -12.080 11.245 -14.980 205 H CYS 30 H CYS 30 -9.119 12.669 -16.024 206 HA CYS 30 HA CYS 30 -8.557 13.584 -13.286 207 HB2 CYS 30 HB2 CYS 30 -7.228 14.046 -15.922 208 HB3 CYS 30 HB3 CYS 30 -7.123 15.304 -14.695 209 H PHE 31 H PHE 31 -9.055 15.721 -12.677 210 HA PHE 31 HA PHE 31 -10.775 17.257 -14.474 211 HB2 PHE 31 HB2 PHE 31 -11.572 16.115 -11.820 212 HB3 PHE 31 HB3 PHE 31 -12.258 17.648 -12.349 213 HD1 PHE 31 HD2 PHE 31 -12.855 17.414 -15.076 214 HD2 PHE 31 HD1 PHE 31 -13.039 14.385 -12.093 215 HE1 PHE 31 HE2 PHE 31 -14.528 16.204 -16.413 216 HE2 PHE 31 HE1 PHE 31 -14.712 13.169 -13.425 217 HZ PHE 31 HZ PHE 31 -15.459 14.078 -15.589 218 H TYR 32 H TYR 32 -10.984 19.481 -13.903 219 HA TYR 32 HA TYR 32 -8.987 20.414 -11.949 220 HB2 TYR 32 HB2 TYR 32 -9.632 21.880 -14.503 221 HB3 TYR 32 HB3 TYR 32 -8.280 22.145 -13.408 222 HD1 TYR 32 HD2 TYR 32 -6.527 20.287 -13.223 223 HD2 TYR 32 HD1 TYR 32 -9.402 20.468 -16.353 224 HE1 TYR 32 HE2 TYR 32 -5.124 18.800 -14.589 225 HE2 TYR 32 HE1 TYR 32 -8.007 18.980 -17.729 226 HH TYR 32 HH TYR 32 -5.401 17.226 -16.475 227 HA PRO 33 HA PRO 33 -13.131 22.163 -10.868 228 HB2 PRO 33 HB2 PRO 33 -12.822 21.818 -8.194 229 HB3 PRO 33 HB3 PRO 33 -13.439 20.551 -9.261 230 HG2 PRO 33 HG2 PRO 33 -10.679 20.928 -8.166 231 HG3 PRO 33 HG3 PRO 33 -11.630 19.439 -8.314 232 HD2 PRO 33 HD2 PRO 33 -9.680 20.102 -10.072 233 HD3 PRO 33 HD3 PRO 33 -11.125 19.189 -10.549 234 H GLU 34 H GLU 34 -11.864 24.093 -11.690 235 HA GLU 34 HA GLU 34 -11.218 26.254 -11.389 236 HB2 GLU 34 HB2 GLU 34 -12.912 25.708 -9.251 237 HB3 GLU 34 HB3 GLU 34 -11.489 26.416 -8.498 238 HG2 GLU 34 HG2 GLU 34 -11.813 28.450 -9.462 239 HG3 GLU 34 HG3 GLU 34 -12.612 27.775 -10.881 240 H GLY 35 H GLY 35 -9.332 24.041 -11.117 241 HA2 GLY 35 HA2 GLY 35 -7.093 25.549 -10.161 242 HA3 GLY 35 HA3 GLY 35 -7.502 24.226 -9.079 243 H GLU 36 H GLU 36 -6.687 24.972 -12.446 244 HA GLU 36 HA GLU 36 -5.858 22.197 -12.857 245 HB2 GLU 36 HB2 GLU 36 -5.852 22.651 -15.179 246 HB3 GLU 36 HB3 GLU 36 -7.284 23.448 -14.542 247 HG2 GLU 36 HG2 GLU 36 -5.509 25.459 -14.361 248 HG3 GLU 36 HG3 GLU 36 -4.857 24.590 -15.750 249 H ASP 37 H ASP 37 -4.414 24.296 -11.222 250 HA ASP 37 HA ASP 37 -1.854 24.283 -12.677 251 HB2 ASP 37 HB2 ASP 37 -2.493 25.996 -10.281 252 HB3 ASP 37 HB3 ASP 37 -1.193 26.202 -11.452 253 H LYS 38 H LYS 38 -3.094 24.093 -9.337 254 HA LYS 38 HA LYS 38 -1.191 21.925 -8.821 255 HB2 LYS 38 HB2 LYS 38 -1.535 24.378 -7.089 256 HB3 LYS 38 HB3 LYS 38 -0.643 22.939 -6.612 257 HG2 LYS 38 HG2 LYS 38 1.162 23.880 -7.484 258 HG3 LYS 38 HG3 LYS 38 0.433 23.651 -9.075 259 HD2 LYS 38 HD2 LYS 38 -0.817 25.915 -8.251 260 HD3 LYS 38 HD3 LYS 38 0.757 26.096 -7.472 261 HE2 LYS 38 HE2 LYS 38 0.628 25.301 -10.346 262 HE3 LYS 38 HE3 LYS 38 0.356 26.985 -9.905 263 HZ1 LYS 38 HZ1 LYS 38 2.720 26.280 -10.450 264 HZ2 LYS 38 HZ2 LYS 38 2.728 25.505 -8.948 265 HZ3 LYS 38 HZ3 LYS 38 2.494 27.179 -9.035 266 H THR 39 H THR 39 -4.167 22.272 -9.191 267 HA THR 39 HA THR 39 -4.941 20.764 -6.799 268 HB THR 39 HB THR 39 -6.916 22.710 -7.917 269 HG1 THR 39 HG1 THR 39 -6.094 24.352 -6.680 270 HG21 THR 39 HG21 THR 39 -7.827 21.240 -6.318 271 HG22 THR 39 HG22 THR 39 -7.527 22.736 -5.433 272 HG23 THR 39 HG23 THR 39 -6.417 21.375 -5.269 273 H GLU 40 H GLU 40 -4.362 19.386 -8.947 274 HA GLU 40 HA GLU 40 -6.719 19.052 -10.621 275 HB2 GLU 40 HB2 GLU 40 -4.095 17.553 -10.677 276 HB3 GLU 40 HB3 GLU 40 -5.359 17.480 -11.895 277 HG2 GLU 40 HG2 GLU 40 -4.035 18.979 -12.923 278 HG3 GLU 40 HG3 GLU 40 -4.922 20.112 -11.905 279 H VAL 41 H VAL 41 -8.287 17.681 -10.131 280 HA VAL 41 HA VAL 41 -7.746 15.551 -8.177 281 HB VAL 41 HB VAL 41 -10.459 16.548 -9.036 282 HG11 VAL 41 HG11 VAL 41 -11.290 15.419 -7.132 283 HG12 VAL 41 HG12 VAL 41 -10.197 14.288 -7.931 284 HG13 VAL 41 HG13 VAL 41 -9.669 15.156 -6.489 285 HG21 VAL 41 HG21 VAL 41 -8.795 17.446 -6.684 286 HG22 VAL 41 HG22 VAL 41 -9.209 18.417 -8.096 287 HG23 VAL 41 HG23 VAL 41 -10.474 17.894 -6.985 288 H CYS 42 H CYS 42 -7.377 13.628 -9.050 289 HA CYS 42 HA CYS 42 -8.924 12.847 -11.434 290 HB2 CYS 42 HB2 CYS 42 -6.201 11.778 -10.688 291 HB3 CYS 42 HB3 CYS 42 -7.066 11.550 -12.204 292 H SER 43 H SER 43 -9.559 10.640 -11.595 293 HA SER 43 HA SER 43 -9.285 8.968 -9.230 294 HB2 SER 43 HB2 SER 43 -11.878 8.594 -9.394 295 HB3 SER 43 HB3 SER 43 -11.246 9.972 -8.492 296 HG SER 43 HG SER 43 -11.647 11.272 -10.306 297 H CYS 44 H CYS 44 -9.779 6.769 -9.597 298 HA CYS 44 HA CYS 44 -9.300 5.909 -12.280 299 HB2 CYS 44 HB2 CYS 44 -8.676 4.810 -9.949 300 HB3 CYS 44 HB3 CYS 44 -10.225 4.003 -10.176 301 H GLN 45 H GLN 45 -10.712 5.351 -13.809 302 HA GLN 45 HA GLN 45 -13.448 4.634 -13.057 303 HB2 GLN 45 HB2 GLN 45 -12.665 6.867 -14.921 304 HB3 GLN 45 HB3 GLN 45 -14.244 6.096 -15.001 305 HG2 GLN 45 HG2 GLN 45 -13.537 6.915 -12.307 306 HG3 GLN 45 HG3 GLN 45 -13.561 8.258 -13.448 307 HE21 GLN 45 HE21 GLN 45 -15.380 6.627 -11.306 308 HE22 GLN 45 HE22 GLN 45 -16.955 6.925 -11.951 309 H GLN 46 H GLN 46 -14.683 4.001 -15.175 310 HA GLN 46 HA GLN 46 -12.967 2.075 -16.546 311 HB2 GLN 46 HB2 GLN 46 -15.935 2.310 -16.152 312 HB3 GLN 46 HB3 GLN 46 -15.273 1.252 -17.391 313 HG2 GLN 46 HG2 GLN 46 -14.470 -0.242 -15.890 314 HG3 GLN 46 HG3 GLN 46 -14.160 0.988 -14.665 315 HE21 GLN 46 HE21 GLN 46 -15.741 -1.677 -14.935 316 HE22 GLN 46 HE22 GLN 46 -17.219 -1.322 -14.115 317 HA PRO 47 HA PRO 47 -12.905 4.310 -20.330 318 HB2 PRO 47 HB2 PRO 47 -12.581 2.255 -22.073 319 HB3 PRO 47 HB3 PRO 47 -11.288 2.828 -21.013 320 HG2 PRO 47 HG2 PRO 47 -13.112 0.479 -20.674 321 HG3 PRO 47 HG3 PRO 47 -11.367 0.592 -20.382 322 HD2 PRO 47 HD2 PRO 47 -13.189 0.715 -18.383 323 HD3 PRO 47 HD3 PRO 47 -11.648 1.595 -18.326 324 H LYS 48 H LYS 48 -13.953 4.351 -22.518 325 HA LYS 48 HA LYS 48 -16.737 4.367 -22.296 326 HB2 LYS 48 HB2 LYS 48 -14.883 5.269 -24.139 327 HB3 LYS 48 HB3 LYS 48 -15.780 4.053 -25.039 328 HG2 LYS 48 HG2 LYS 48 -17.220 5.696 -25.470 329 HG3 LYS 48 HG3 LYS 48 -17.784 5.450 -23.815 330 HD2 LYS 48 HD2 LYS 48 -16.856 7.373 -23.079 331 HD3 LYS 48 HD3 LYS 48 -15.428 7.195 -24.102 332 HE2 LYS 48 HE2 LYS 48 -16.670 7.968 -26.028 333 HE3 LYS 48 HE3 LYS 48 -18.155 8.038 -25.080 334 HZ1 LYS 48 HZ1 LYS 48 -17.396 10.219 -25.125 335 HZ2 LYS 48 HZ2 LYS 48 -15.778 9.781 -24.905 336 HZ3 LYS 48 HZ3 LYS 48 -16.868 9.662 -23.617 337 H SER 49 H SER 49 -14.541 1.850 -23.257 338 HA SER 49 HA SER 49 -16.420 0.190 -24.585 339 HB2 SER 49 HB2 SER 49 -13.890 -0.674 -23.168 340 HB3 SER 49 HB3 SER 49 -14.736 -1.538 -24.452 341 HG SER 49 HG SER 49 -13.211 0.823 -24.601 342 H HIS 50 H HIS 50 -15.007 -0.019 -21.317 343 HA HIS 50 HA HIS 50 -16.602 -2.142 -20.422 344 HB2 HIS 50 HB2 HIS 50 -14.715 -0.268 -19.268 345 HB3 HIS 50 HB3 HIS 50 -16.049 -0.587 -18.165 346 HD1 HIS 50 HD1 HIS 50 -16.189 -2.917 -17.123 347 HD2 HIS 50 HD2 HIS 50 -13.074 -2.498 -19.840 348 HE1 HIS 50 HE1 HIS 50 -14.753 -4.959 -16.820 349 H LYS 51 H LYS 51 -17.110 1.347 -20.344 350 HA LYS 51 HA LYS 51 -19.419 1.333 -18.724 351 HB2 LYS 51 HB2 LYS 51 -18.428 3.293 -20.794 352 HB3 LYS 51 HB3 LYS 51 -19.849 3.583 -19.799 353 HG2 LYS 51 HG2 LYS 51 -17.042 3.162 -18.791 354 HG3 LYS 51 HG3 LYS 51 -17.895 4.704 -18.893 355 HD2 LYS 51 HD2 LYS 51 -19.598 2.982 -17.484 356 HD3 LYS 51 HD3 LYS 51 -17.984 2.698 -16.831 357 HE2 LYS 51 HE2 LYS 51 -18.610 4.453 -15.518 358 HE3 LYS 51 HE3 LYS 51 -17.903 5.343 -16.866 359 HZ1 LYS 51 HZ1 LYS 51 -20.310 5.859 -15.918 360 HZ2 LYS 51 HZ2 LYS 51 -20.735 4.692 -17.065 361 HZ3 LYS 51 HZ3 LYS 51 -19.909 6.087 -17.546 362 H ILE 52 H ILE 52 -19.231 1.883 -22.246 363 HA ILE 52 HA ILE 52 -21.933 1.656 -22.793 364 HB ILE 52 HB ILE 52 -19.640 0.828 -24.578 365 HG12 ILE 52 HG12 ILE 52 -21.140 3.438 -24.650 366 HG13 ILE 52 HG13 ILE 52 -19.731 3.220 -23.619 367 HG21 ILE 52 HG21 ILE 52 -22.515 0.782 -24.943 368 HG22 ILE 52 HG22 ILE 52 -21.708 1.783 -26.149 369 HG23 ILE 52 HG23 ILE 52 -21.238 0.096 -25.948 370 HD11 ILE 52 HD11 ILE 52 -18.587 3.953 -25.384 371 HD12 ILE 52 HD12 ILE 52 -18.812 2.323 -26.019 372 HD13 ILE 52 HD13 ILE 52 -19.909 3.618 -26.501 373 H ALA 53 H ALA 53 -19.473 -0.888 -22.664 374 HA ALA 53 HA ALA 53 -21.027 -3.021 -23.568 375 HB1 ALA 53 HB1 ALA 53 -18.729 -3.414 -23.411 376 HB2 ALA 53 HB2 ALA 53 -18.660 -2.878 -21.731 377 HB3 ALA 53 HB3 ALA 53 -19.428 -4.413 -22.136 378 H GLU 54 H GLU 54 -20.301 -2.160 -20.179 379 HA GLU 54 HA GLU 54 -21.992 -3.986 -18.961 380 HB2 GLU 54 HB2 GLU 54 -20.609 -1.535 -18.182 381 HB3 GLU 54 HB3 GLU 54 -22.106 -1.783 -17.293 382 HG2 GLU 54 HG2 GLU 54 -20.052 -3.948 -17.560 383 HG3 GLU 54 HG3 GLU 54 -19.962 -2.725 -16.294 384 H LYS 55 H LYS 55 -22.702 -0.796 -20.268 385 HA LYS 55 HA LYS 55 -25.299 -0.508 -19.236 386 HB2 LYS 55 HB2 LYS 55 -23.939 0.613 -21.679 387 HB3 LYS 55 HB3 LYS 55 -25.603 1.017 -21.274 388 HG2 LYS 55 HG2 LYS 55 -23.212 1.501 -19.508 389 HG3 LYS 55 HG3 LYS 55 -24.021 2.716 -20.501 390 HD2 LYS 55 HD2 LYS 55 -26.057 1.525 -19.014 391 HD3 LYS 55 HD3 LYS 55 -24.717 1.713 -17.881 392 HE2 LYS 55 HE2 LYS 55 -24.565 4.111 -18.866 393 HE3 LYS 55 HE3 LYS 55 -26.211 3.804 -19.416 394 HZ1 LYS 55 HZ1 LYS 55 -25.800 4.886 -17.115 395 HZ2 LYS 55 HZ2 LYS 55 -25.508 3.299 -16.606 396 HZ3 LYS 55 HZ3 LYS 55 -27.004 3.708 -17.279 397 H ILE 56 H ILE 56 -24.258 -1.626 -22.460 398 HA ILE 56 HA ILE 56 -26.766 -2.289 -23.455 399 HB ILE 56 HB ILE 56 -24.141 -3.660 -24.047 400 HG12 ILE 56 HG12 ILE 56 -25.469 -1.524 -25.698 401 HG13 ILE 56 HG13 ILE 56 -24.375 -1.110 -24.382 402 HG21 ILE 56 HG21 ILE 56 -25.338 -5.056 -25.293 403 HG22 ILE 56 HG22 ILE 56 -26.821 -4.166 -24.957 404 HG23 ILE 56 HG23 ILE 56 -25.788 -3.683 -26.302 405 HD11 ILE 56 HD11 ILE 56 -22.612 -2.431 -25.479 406 HD12 ILE 56 HD12 ILE 56 -23.713 -2.739 -26.822 407 HD13 ILE 56 HD13 ILE 56 -23.190 -1.092 -26.471 408 H ILE 57 H ILE 57 -24.416 -4.410 -21.818 409 HA ILE 57 HA ILE 57 -25.939 -6.743 -21.841 410 HB ILE 57 HB ILE 57 -23.965 -5.856 -19.734 411 HG12 ILE 57 HG12 ILE 57 -23.033 -5.878 -22.020 412 HG13 ILE 57 HG13 ILE 57 -22.324 -7.136 -21.012 413 HG21 ILE 57 HG21 ILE 57 -25.645 -8.163 -19.907 414 HG22 ILE 57 HG22 ILE 57 -23.957 -8.651 -20.058 415 HG23 ILE 57 HG23 ILE 57 -24.485 -7.723 -18.654 416 HD11 ILE 57 HD11 ILE 57 -24.464 -7.508 -23.094 417 HD12 ILE 57 HD12 ILE 57 -22.769 -7.984 -23.222 418 HD13 ILE 57 HD13 ILE 57 -23.823 -8.779 -22.052 419 H ASP 58 H ASP 58 -25.600 -4.385 -19.184 420 HA ASP 58 HA ASP 58 -27.408 -5.491 -17.414 421 HB2 ASP 58 HB2 ASP 58 -26.434 -2.711 -17.911 422 HB3 ASP 58 HB3 ASP 58 -27.790 -2.939 -16.811 423 H LYS 59 H LYS 59 -28.050 -3.102 -19.969 424 HA LYS 59 HA LYS 59 -30.799 -2.823 -19.496 425 HB2 LYS 59 HB2 LYS 59 -28.905 -2.094 -21.595 426 HB3 LYS 59 HB3 LYS 59 -30.507 -2.452 -22.224 427 HG2 LYS 59 HG2 LYS 59 -30.592 -0.759 -19.866 428 HG3 LYS 59 HG3 LYS 59 -29.663 -0.048 -21.189 429 HD2 LYS 59 HD2 LYS 59 -31.562 -0.419 -22.703 430 HD3 LYS 59 HD3 LYS 59 -32.488 -1.098 -21.363 431 HE2 LYS 59 HE2 LYS 59 -32.312 1.043 -20.176 432 HE3 LYS 59 HE3 LYS 59 -31.410 1.715 -21.534 433 HZ1 LYS 59 HZ1 LYS 59 -33.375 2.330 -22.329 434 HZ2 LYS 59 HZ2 LYS 59 -34.229 1.383 -21.218 435 HZ3 LYS 59 HZ3 LYS 59 -33.677 0.699 -22.664 436 H ALA 60 H ALA 60 -28.983 -5.164 -21.387 437 HA ALA 60 HA ALA 60 -31.159 -6.326 -22.753 438 HB1 ALA 60 HB1 ALA 60 -28.822 -6.664 -23.413 439 HB2 ALA 60 HB2 ALA 60 -28.551 -7.611 -21.949 440 HB3 ALA 60 HB3 ALA 60 -29.666 -8.195 -23.185 441 H LYS 61 H LYS 61 -29.497 -7.305 -19.758 442 HA LYS 61 HA LYS 61 -31.127 -9.524 -19.200 443 HB2 LYS 61 HB2 LYS 61 -29.702 -7.767 -17.195 444 HB3 LYS 61 HB3 LYS 61 -30.209 -9.435 -16.959 445 HG2 LYS 61 HG2 LYS 61 -28.622 -10.185 -18.628 446 HG3 LYS 61 HG3 LYS 61 -28.151 -8.515 -18.958 447 HD2 LYS 61 HD2 LYS 61 -26.503 -9.483 -17.514 448 HD3 LYS 61 HD3 LYS 61 -27.442 -8.324 -16.571 449 HE2 LYS 61 HE2 LYS 61 -27.940 -9.918 -15.110 450 HE3 LYS 61 HE3 LYS 61 -28.732 -10.841 -16.386 451 HZ1 LYS 61 HZ1 LYS 61 -27.153 -12.350 -16.088 452 HZ2 LYS 61 HZ2 LYS 61 -26.243 -11.328 -15.092 453 HZ3 LYS 61 HZ3 LYS 61 -26.053 -11.261 -16.772 454 H THR 62 H THR 62 -31.318 -6.162 -18.064 455 HA THR 62 HA THR 62 -33.046 -4.934 -17.234 456 HB THR 62 HB THR 62 -35.020 -7.046 -18.029 457 HG1 THR 62 HG1 THR 62 -34.646 -6.729 -20.108 458 HG21 THR 62 HG21 THR 62 -34.988 -4.136 -17.544 459 HG22 THR 62 HG22 THR 62 -36.279 -5.313 -17.299 460 HG23 THR 62 HG23 THR 62 -35.964 -4.671 -18.911 461 H THR 63 H THR 63 -31.846 -7.412 -15.821 462 HA THR 63 HA THR 63 -33.947 -8.098 -13.941 463 HB THR 63 HB THR 63 -31.029 -8.883 -13.850 464 HG1 THR 63 HG1 THR 63 -33.264 -10.036 -15.161 465 HG21 THR 63 HG21 THR 63 -31.839 -9.407 -11.756 466 HG22 THR 63 HG22 THR 63 -32.215 -10.887 -12.638 467 HG23 THR 63 HG23 THR 63 -33.476 -9.691 -12.342 468 H LEU 64 H LEU 64 -31.280 -5.906 -14.176 469 HA LEU 64 HA LEU 64 -31.326 -5.337 -11.312 470 HB2 LEU 64 HB2 LEU 64 -29.498 -4.730 -13.567 471 HB3 LEU 64 HB3 LEU 64 -29.554 -3.576 -12.236 472 HG LEU 64 HG LEU 64 -29.086 -6.484 -11.694 473 HD11 LEU 64 HD11 LEU 64 -27.118 -4.482 -12.748 474 HD12 LEU 64 HD12 LEU 64 -27.403 -6.139 -13.275 475 HD13 LEU 64 HD13 LEU 64 -26.613 -5.830 -11.729 476 HD21 LEU 64 HD21 LEU 64 -27.840 -4.184 -10.264 477 HD22 LEU 64 HD22 LEU 64 -28.298 -5.775 -9.657 478 HD23 LEU 64 HD23 LEU 64 -29.539 -4.561 -9.975 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -2.334 -8.487 0.506 2 HA ALA 1 HA ALA 1 -4.258 -8.897 -1.551 3 HB1 ALA 1 HB1 ALA 1 -5.735 -9.245 0.122 4 HB2 ALA 1 HB2 ALA 1 -4.267 -9.357 1.094 5 HB3 ALA 1 HB3 ALA 1 -5.182 -7.850 1.049 6 H LYS 2 H LYS 2 -5.798 -7.493 -2.382 7 HA LYS 2 HA LYS 2 -6.523 -5.531 -3.282 8 HB2 LYS 2 HB2 LYS 2 -7.134 -5.374 -0.759 9 HB3 LYS 2 HB3 LYS 2 -5.839 -4.187 -0.685 10 HG2 LYS 2 HG2 LYS 2 -7.029 -2.620 -1.779 11 HG3 LYS 2 HG3 LYS 2 -7.812 -3.796 -2.836 12 HD2 LYS 2 HD2 LYS 2 -9.345 -4.422 -1.095 13 HD3 LYS 2 HD3 LYS 2 -8.488 -3.422 0.080 14 HE2 LYS 2 HE2 LYS 2 -9.139 -1.738 -2.078 15 HE3 LYS 2 HE3 LYS 2 -10.581 -2.696 -1.744 16 HZ1 LYS 2 HZ1 LYS 2 -9.579 -1.902 0.711 17 HZ2 LYS 2 HZ2 LYS 2 -10.980 -1.343 -0.055 18 HZ3 LYS 2 HZ3 LYS 2 -9.514 -0.529 -0.277 19 H ALA 3 H ALA 3 -3.807 -6.141 -3.768 20 HA ALA 3 HA ALA 3 -2.322 -3.661 -3.478 21 HB1 ALA 3 HB1 ALA 3 -1.639 -6.371 -4.573 22 HB2 ALA 3 HB2 ALA 3 -0.565 -4.986 -4.772 23 HB3 ALA 3 HB3 ALA 3 -0.981 -5.555 -3.155 24 H CYS 4 H CYS 4 -4.747 -3.671 -5.099 25 HA CYS 4 HA CYS 4 -3.553 -2.853 -7.664 26 HB2 CYS 4 HB2 CYS 4 -5.779 -4.710 -7.137 27 HB3 CYS 4 HB3 CYS 4 -6.112 -3.495 -8.367 28 H THR 5 H THR 5 -4.834 -1.235 -8.840 29 HA THR 5 HA THR 5 -6.236 0.560 -6.970 30 HB THR 5 HB THR 5 -4.678 1.275 -9.461 31 HG1 THR 5 HG1 THR 5 -4.121 1.971 -6.761 32 HG21 THR 5 HG21 THR 5 -6.802 2.653 -8.354 33 HG22 THR 5 HG22 THR 5 -5.551 3.336 -9.393 34 HG23 THR 5 HG23 THR 5 -5.391 3.432 -7.640 35 HA PRO 6 HA PRO 6 -9.408 -0.793 -10.049 36 HB2 PRO 6 HB2 PRO 6 -11.417 -0.965 -8.231 37 HB3 PRO 6 HB3 PRO 6 -10.288 -2.288 -8.543 38 HG2 PRO 6 HG2 PRO 6 -10.277 -0.271 -6.333 39 HG3 PRO 6 HG3 PRO 6 -9.971 -2.016 -6.256 40 HD2 PRO 6 HD2 PRO 6 -7.976 -0.185 -6.258 41 HD3 PRO 6 HD3 PRO 6 -7.796 -1.794 -6.988 42 H LEU 7 H LEU 7 -11.898 0.127 -9.872 43 HA LEU 7 HA LEU 7 -11.727 2.816 -10.594 44 HB2 LEU 7 HB2 LEU 7 -13.558 1.620 -11.420 45 HB3 LEU 7 HB3 LEU 7 -14.015 1.042 -9.818 46 HG LEU 7 HG LEU 7 -14.687 3.386 -9.254 47 HD11 LEU 7 HD11 LEU 7 -13.353 3.973 -11.644 48 HD12 LEU 7 HD12 LEU 7 -14.266 5.080 -10.620 49 HD13 LEU 7 HD13 LEU 7 -15.064 4.259 -11.962 50 HD21 LEU 7 HD21 LEU 7 -16.125 1.438 -10.341 51 HD22 LEU 7 HD22 LEU 7 -16.269 2.618 -11.645 52 HD23 LEU 7 HD23 LEU 7 -16.802 3.034 -10.015 53 H LEU 8 H LEU 8 -12.445 4.723 -9.572 54 HA LEU 8 HA LEU 8 -12.590 6.212 -7.860 55 HB2 LEU 8 HB2 LEU 8 -13.918 3.800 -6.682 56 HB3 LEU 8 HB3 LEU 8 -13.686 5.258 -5.721 57 HG LEU 8 HG LEU 8 -15.271 5.057 -8.282 58 HD11 LEU 8 HD11 LEU 8 -16.571 4.015 -6.659 59 HD12 LEU 8 HD12 LEU 8 -17.135 5.686 -6.628 60 HD13 LEU 8 HD13 LEU 8 -16.028 5.106 -5.383 61 HD21 LEU 8 HD21 LEU 8 -16.013 7.369 -7.561 62 HD22 LEU 8 HD22 LEU 8 -14.374 7.236 -8.199 63 HD23 LEU 8 HD23 LEU 8 -14.636 7.362 -6.459 64 H HIS 9 H HIS 9 -10.118 5.654 -8.082 65 HA HIS 9 HA HIS 9 -9.143 5.355 -5.349 66 HB2 HIS 9 HB2 HIS 9 -8.560 3.502 -7.585 67 HB3 HIS 9 HB3 HIS 9 -7.180 3.996 -6.608 68 HD1 HIS 9 HD1 HIS 9 -6.763 2.553 -4.651 69 HD2 HIS 9 HD2 HIS 9 -10.754 2.467 -5.804 70 HE1 HIS 9 HE1 HIS 9 -7.869 0.892 -3.120 71 H ASP 10 H ASP 10 -6.764 5.937 -5.229 72 HA ASP 10 HA ASP 10 -6.393 8.443 -6.583 73 HB2 ASP 10 HB2 ASP 10 -5.726 8.232 -4.256 74 HB3 ASP 10 HB3 ASP 10 -4.614 6.928 -4.663 75 H CYS 11 H CYS 11 -5.504 8.679 -8.514 76 HA CYS 11 HA CYS 11 -3.399 6.798 -9.345 77 HB2 CYS 11 HB2 CYS 11 -4.287 6.692 -11.574 78 HB3 CYS 11 HB3 CYS 11 -5.589 6.295 -10.458 79 H SER 12 H SER 12 -4.022 9.856 -8.529 80 HA SER 12 HA SER 12 -3.058 11.481 -10.566 81 HB2 SER 12 HB2 SER 12 -3.276 13.117 -9.032 82 HB3 SER 12 HB3 SER 12 -3.860 11.857 -7.944 83 HG SER 12 HG SER 12 -2.069 13.172 -7.147 84 H HIS 13 H HIS 13 -1.307 9.633 -8.124 85 HA HIS 13 HA HIS 13 1.263 10.639 -8.959 86 HB2 HIS 13 HB2 HIS 13 0.379 8.529 -7.000 87 HB3 HIS 13 HB3 HIS 13 2.078 8.760 -7.402 88 HD1 HIS 13 HD1 HIS 13 1.985 11.906 -7.496 89 HD2 HIS 13 HD2 HIS 13 0.484 9.526 -4.439 90 HE1 HIS 13 HE1 HIS 13 1.943 13.377 -5.457 91 H ASP 14 H ASP 14 -0.864 8.227 -10.020 92 HA ASP 14 HA ASP 14 1.035 7.314 -11.984 93 HB2 ASP 14 HB2 ASP 14 0.071 5.505 -9.782 94 HB3 ASP 14 HB3 ASP 14 0.525 4.859 -11.357 95 H ARG 15 H ARG 15 -0.128 7.490 -13.775 96 HA ARG 15 HA ARG 15 -3.002 7.149 -13.730 97 HB2 ARG 15 HB2 ARG 15 -1.217 7.706 -16.104 98 HB3 ARG 15 HB3 ARG 15 -2.958 7.940 -16.008 99 HG2 ARG 15 HG2 ARG 15 -2.724 9.769 -14.524 100 HG3 ARG 15 HG3 ARG 15 -1.013 9.421 -14.261 101 HD2 ARG 15 HD2 ARG 15 -0.548 10.855 -15.895 102 HD3 ARG 15 HD3 ARG 15 -1.285 9.718 -17.023 103 HE ARG 15 HE ARG 15 -3.405 11.099 -16.080 104 HH11 ARG 15 HH11 ARG 15 -0.354 12.061 -17.451 105 HH12 ARG 15 HH12 ARG 15 -0.977 13.524 -18.140 106 HH21 ARG 15 HH21 ARG 15 -4.237 13.022 -16.981 107 HH22 ARG 15 HH22 ARG 15 -3.185 14.069 -17.871 108 H HIS 16 H HIS 16 -0.247 5.248 -14.420 109 HA HIS 16 HA HIS 16 -1.874 3.283 -15.885 110 HB2 HIS 16 HB2 HIS 16 1.028 3.962 -15.895 111 HB3 HIS 16 HB3 HIS 16 0.576 2.286 -16.193 112 HD1 HIS 16 HD1 HIS 16 -1.896 2.668 -17.944 113 HD2 HIS 16 HD2 HIS 16 1.608 4.856 -18.392 114 HE1 HIS 16 HE1 HIS 16 -1.912 3.485 -20.323 115 H SER 17 H SER 17 -1.790 3.772 -12.937 116 HA SER 17 HA SER 17 -0.499 1.398 -11.882 117 HB2 SER 17 HB2 SER 17 -1.540 2.237 -9.700 118 HB3 SER 17 HB3 SER 17 -0.332 3.281 -10.450 119 HG SER 17 HG SER 17 -2.333 4.323 -9.730 120 H CYS 18 H CYS 18 -3.746 2.587 -12.534 121 HA CYS 18 HA CYS 18 -5.280 0.703 -11.222 122 HB2 CYS 18 HB2 CYS 18 -5.742 2.080 -13.870 123 HB3 CYS 18 HB3 CYS 18 -6.961 1.091 -13.073 124 H CYS 19 H CYS 19 -5.716 -1.400 -11.477 125 HA CYS 19 HA CYS 19 -4.217 -2.905 -13.423 126 HB2 CYS 19 HB2 CYS 19 -6.255 -3.851 -11.396 127 HB3 CYS 19 HB3 CYS 19 -5.150 -4.875 -12.306 128 H ARG 20 H ARG 20 -5.189 -4.495 -14.852 129 HA ARG 20 HA ARG 20 -7.143 -3.408 -16.529 130 HB2 ARG 20 HB2 ARG 20 -6.987 -5.386 -17.791 131 HB3 ARG 20 HB3 ARG 20 -5.400 -5.201 -17.060 132 HG2 ARG 20 HG2 ARG 20 -6.202 -6.774 -15.246 133 HG3 ARG 20 HG3 ARG 20 -7.587 -7.106 -16.289 134 HD2 ARG 20 HD2 ARG 20 -4.973 -7.266 -17.617 135 HD3 ARG 20 HD3 ARG 20 -5.232 -8.466 -16.351 136 HE ARG 20 HE ARG 20 -7.493 -8.393 -18.011 137 HH11 ARG 20 HH11 ARG 20 -4.145 -9.345 -18.090 138 HH12 ARG 20 HH12 ARG 20 -4.390 -10.581 -19.280 139 HH21 ARG 20 HH21 ARG 20 -7.828 -10.016 -19.577 140 HH22 ARG 20 HH22 ARG 20 -6.484 -10.961 -20.125 141 H GLY 21 H GLY 21 -9.181 -4.697 -17.165 142 HA2 GLY 21 HA2 GLY 21 -10.653 -5.302 -14.677 143 HA3 GLY 21 HA3 GLY 21 -11.376 -4.568 -16.100 144 H ASP 22 H ASP 22 -12.977 -6.212 -16.099 145 HA ASP 22 HA ASP 22 -12.210 -8.966 -16.429 146 HB2 ASP 22 HB2 ASP 22 -14.460 -7.785 -15.494 147 HB3 ASP 22 HB3 ASP 22 -14.960 -8.146 -17.144 148 H MET 23 H MET 23 -13.202 -6.311 -18.497 149 HA MET 23 HA MET 23 -12.754 -8.046 -20.837 150 HB2 MET 23 HB2 MET 23 -14.638 -5.699 -20.561 151 HB3 MET 23 HB3 MET 23 -14.303 -6.535 -22.072 152 HG2 MET 23 HG2 MET 23 -15.044 -8.461 -20.115 153 HG3 MET 23 HG3 MET 23 -16.229 -7.157 -20.108 154 HE1 MET 23 HE1 MET 23 -16.869 -10.184 -20.831 155 HE2 MET 23 HE2 MET 23 -18.120 -8.941 -20.879 156 HE3 MET 23 HE3 MET 23 -17.896 -10.022 -22.256 157 H PHE 24 H PHE 24 -12.568 -4.699 -19.651 158 HA PHE 24 HA PHE 24 -10.189 -4.328 -21.338 159 HB2 PHE 24 HB2 PHE 24 -12.317 -2.226 -20.896 160 HB3 PHE 24 HB3 PHE 24 -10.881 -2.076 -21.903 161 HD1 PHE 24 HD1 PHE 24 -14.159 -3.720 -21.581 162 HD2 PHE 24 HD2 PHE 24 -10.826 -2.940 -24.110 163 HE1 PHE 24 HE1 PHE 24 -15.430 -4.562 -23.511 164 HE2 PHE 24 HE2 PHE 24 -12.093 -3.780 -26.046 165 HZ PHE 24 HZ PHE 24 -14.398 -4.593 -25.747 166 H LYS 25 H LYS 25 -8.815 -2.505 -20.609 167 HA LYS 25 HA LYS 25 -8.521 -2.608 -17.734 168 HB2 LYS 25 HB2 LYS 25 -6.497 -2.811 -18.960 169 HB3 LYS 25 HB3 LYS 25 -6.869 -1.408 -19.951 170 HG2 LYS 25 HG2 LYS 25 -6.153 0.062 -18.388 171 HG3 LYS 25 HG3 LYS 25 -6.657 -0.958 -17.038 172 HD2 LYS 25 HD2 LYS 25 -4.352 -1.074 -16.892 173 HD3 LYS 25 HD3 LYS 25 -4.729 -2.511 -17.844 174 HE2 LYS 25 HE2 LYS 25 -4.455 -0.701 -19.815 175 HE3 LYS 25 HE3 LYS 25 -3.352 -0.018 -18.622 176 HZ1 LYS 25 HZ1 LYS 25 -2.996 -2.277 -20.297 177 HZ2 LYS 25 HZ2 LYS 25 -2.822 -2.721 -18.675 178 HZ3 LYS 25 HZ3 LYS 25 -1.865 -1.485 -19.320 179 H TYR 26 H TYR 26 -8.606 -0.869 -16.323 180 HA TYR 26 HA TYR 26 -10.479 1.175 -16.989 181 HB2 TYR 26 HB2 TYR 26 -8.713 0.950 -14.544 182 HB3 TYR 26 HB3 TYR 26 -10.148 1.956 -14.704 183 HD1 TYR 26 HD1 TYR 26 -12.090 0.180 -15.933 184 HD2 TYR 26 HD2 TYR 26 -9.181 -0.659 -12.944 185 HE1 TYR 26 HE1 TYR 26 -13.483 -1.670 -15.106 186 HE2 TYR 26 HE2 TYR 26 -10.565 -2.513 -12.109 187 HH TYR 26 HH TYR 26 -12.339 -4.022 -12.978 188 H VAL 27 H VAL 27 -10.022 3.513 -16.532 189 HA VAL 27 HA VAL 27 -7.319 4.264 -17.435 190 HB VAL 27 HB VAL 27 -8.650 4.654 -19.335 191 HG11 VAL 27 HG11 VAL 27 -10.852 4.393 -18.622 192 HG12 VAL 27 HG12 VAL 27 -10.704 5.648 -17.391 193 HG13 VAL 27 HG13 VAL 27 -10.775 6.089 -19.098 194 HG21 VAL 27 HG21 VAL 27 -8.761 7.340 -18.000 195 HG22 VAL 27 HG22 VAL 27 -7.228 6.592 -18.446 196 HG23 VAL 27 HG23 VAL 27 -8.426 6.958 -19.689 197 H CYS 28 H CYS 28 -6.482 6.214 -16.643 198 HA CYS 28 HA CYS 28 -7.658 7.050 -14.107 199 HB2 CYS 28 HB2 CYS 28 -5.329 6.503 -13.982 200 HB3 CYS 28 HB3 CYS 28 -4.954 7.527 -15.364 201 H ASP 29 H ASP 29 -8.924 8.772 -14.025 202 HA ASP 29 HA ASP 29 -8.805 10.753 -16.172 203 HB2 ASP 29 HB2 ASP 29 -10.868 9.904 -14.199 204 HB3 ASP 29 HB3 ASP 29 -10.912 11.573 -14.758 205 H CYS 30 H CYS 30 -8.825 13.026 -15.693 206 HA CYS 30 HA CYS 30 -7.846 13.763 -13.031 207 HB2 CYS 30 HB2 CYS 30 -6.492 14.390 -15.655 208 HB3 CYS 30 HB3 CYS 30 -6.164 15.286 -14.175 209 H PHE 31 H PHE 31 -8.542 15.715 -12.306 210 HA PHE 31 HA PHE 31 -9.789 17.581 -14.168 211 HB2 PHE 31 HB2 PHE 31 -11.224 16.219 -11.894 212 HB3 PHE 31 HB3 PHE 31 -11.766 17.760 -12.547 213 HD1 PHE 31 HD2 PHE 31 -12.683 17.907 -14.794 214 HD2 PHE 31 HD1 PHE 31 -11.473 14.178 -13.136 215 HE1 PHE 31 HE2 PHE 31 -13.925 16.723 -16.558 216 HE2 PHE 31 HE1 PHE 31 -12.713 12.989 -14.897 217 HZ PHE 31 HZ PHE 31 -13.941 14.261 -16.611 218 H TYR 32 H TYR 32 -10.572 19.583 -12.880 219 HA TYR 32 HA TYR 32 -8.853 20.118 -10.571 220 HB2 TYR 32 HB2 TYR 32 -9.029 22.174 -12.747 221 HB3 TYR 32 HB3 TYR 32 -7.818 21.997 -11.482 222 HD1 TYR 32 HD1 TYR 32 -8.952 20.751 -14.753 223 HD2 TYR 32 HD2 TYR 32 -5.920 20.552 -11.773 224 HE1 TYR 32 HE1 TYR 32 -7.486 19.564 -16.331 225 HE2 TYR 32 HE2 TYR 32 -4.446 19.365 -13.344 226 HH TYR 32 HH TYR 32 -5.589 18.260 -16.458 227 HA PRO 33 HA PRO 33 -12.353 22.224 -8.967 228 HB2 PRO 33 HB2 PRO 33 -11.163 24.119 -7.429 229 HB3 PRO 33 HB3 PRO 33 -11.189 22.406 -6.996 230 HG2 PRO 33 HG2 PRO 33 -9.006 24.002 -8.279 231 HG3 PRO 33 HG3 PRO 33 -8.895 22.792 -6.988 232 HD2 PRO 33 HD2 PRO 33 -8.299 22.228 -9.568 233 HD3 PRO 33 HD3 PRO 33 -8.995 21.024 -8.465 234 H GLU 34 H GLU 34 -12.699 23.017 -11.284 235 HA GLU 34 HA GLU 34 -13.253 24.681 -12.734 236 HB2 GLU 34 HB2 GLU 34 -14.210 25.426 -10.302 237 HB3 GLU 34 HB3 GLU 34 -13.194 26.808 -10.689 238 HG2 GLU 34 HG2 GLU 34 -14.984 27.583 -11.759 239 HG3 GLU 34 HG3 GLU 34 -14.543 26.439 -13.026 240 H GLY 35 H GLY 35 -10.388 24.209 -11.997 241 HA2 GLY 35 HA2 GLY 35 -9.191 26.101 -13.652 242 HA3 GLY 35 HA3 GLY 35 -9.005 26.681 -12.003 243 H GLU 36 H GLU 36 -7.398 25.154 -14.338 244 HA GLU 36 HA GLU 36 -6.244 22.964 -12.892 245 HB2 GLU 36 HB2 GLU 36 -4.641 22.887 -14.799 246 HB3 GLU 36 HB3 GLU 36 -6.327 22.821 -15.289 247 HG2 GLU 36 HG2 GLU 36 -5.225 25.524 -15.195 248 HG3 GLU 36 HG3 GLU 36 -4.435 24.460 -16.357 249 H ASP 37 H ASP 37 -5.878 26.261 -12.676 250 HA ASP 37 HA ASP 37 -3.042 26.212 -12.017 251 HB2 ASP 37 HB2 ASP 37 -4.412 28.112 -13.249 252 HB3 ASP 37 HB3 ASP 37 -4.748 28.629 -11.599 253 H LYS 38 H LYS 38 -5.481 25.051 -10.436 254 HA LYS 38 HA LYS 38 -4.783 26.268 -7.845 255 HB2 LYS 38 HB2 LYS 38 -7.300 24.897 -8.787 256 HB3 LYS 38 HB3 LYS 38 -6.967 25.190 -7.084 257 HG2 LYS 38 HG2 LYS 38 -6.774 27.493 -8.941 258 HG3 LYS 38 HG3 LYS 38 -8.380 26.872 -8.554 259 HD2 LYS 38 HD2 LYS 38 -7.947 27.164 -6.183 260 HD3 LYS 38 HD3 LYS 38 -6.302 27.703 -6.528 261 HE2 LYS 38 HE2 LYS 38 -7.127 29.774 -6.545 262 HE3 LYS 38 HE3 LYS 38 -7.870 29.356 -8.088 263 HZ1 LYS 38 HZ1 LYS 38 -9.834 29.658 -7.149 264 HZ2 LYS 38 HZ2 LYS 38 -9.124 29.959 -5.643 265 HZ3 LYS 38 HZ3 LYS 38 -9.530 28.378 -6.085 266 H THR 39 H THR 39 -6.200 23.142 -8.787 267 HA THR 39 HA THR 39 -3.893 21.703 -7.792 268 HB THR 39 HB THR 39 -6.538 21.077 -6.500 269 HG1 THR 39 HG1 THR 39 -6.062 23.149 -5.800 270 HG21 THR 39 HG21 THR 39 -3.675 20.458 -5.763 271 HG22 THR 39 HG22 THR 39 -4.843 19.328 -6.449 272 HG23 THR 39 HG23 THR 39 -5.096 19.985 -4.833 273 H GLU 40 H GLU 40 -3.735 19.646 -8.607 274 HA GLU 40 HA GLU 40 -5.749 18.930 -10.613 275 HB2 GLU 40 HB2 GLU 40 -3.947 17.325 -11.395 276 HB3 GLU 40 HB3 GLU 40 -3.589 19.037 -11.575 277 HG2 GLU 40 HG2 GLU 40 -2.199 18.986 -9.594 278 HG3 GLU 40 HG3 GLU 40 -2.604 17.291 -9.330 279 H VAL 41 H VAL 41 -7.222 17.481 -10.059 280 HA VAL 41 HA VAL 41 -6.500 15.416 -8.081 281 HB VAL 41 HB VAL 41 -9.295 16.358 -8.717 282 HG11 VAL 41 HG11 VAL 41 -9.856 15.250 -6.607 283 HG12 VAL 41 HG12 VAL 41 -9.141 14.121 -7.760 284 HG13 VAL 41 HG13 VAL 41 -8.175 14.750 -6.425 285 HG21 VAL 41 HG21 VAL 41 -9.099 17.504 -6.457 286 HG22 VAL 41 HG22 VAL 41 -7.355 17.310 -6.627 287 HG23 VAL 41 HG23 VAL 41 -8.254 18.265 -7.806 288 H CYS 42 H CYS 42 -6.231 13.470 -8.930 289 HA CYS 42 HA CYS 42 -7.810 12.736 -11.308 290 HB2 CYS 42 HB2 CYS 42 -5.094 11.687 -10.486 291 HB3 CYS 42 HB3 CYS 42 -5.983 11.238 -11.938 292 H SER 43 H SER 43 -8.654 10.633 -11.437 293 HA SER 43 HA SER 43 -8.415 8.879 -9.133 294 HB2 SER 43 HB2 SER 43 -10.916 8.730 -8.900 295 HB3 SER 43 HB3 SER 43 -10.230 10.272 -8.388 296 HG SER 43 HG SER 43 -12.180 10.175 -9.894 297 H CYS 44 H CYS 44 -9.165 6.748 -9.523 298 HA CYS 44 HA CYS 44 -8.819 5.872 -12.195 299 HB2 CYS 44 HB2 CYS 44 -8.479 4.646 -9.869 300 HB3 CYS 44 HB3 CYS 44 -10.130 4.114 -10.168 301 H GLN 45 H GLN 45 -10.242 5.607 -13.789 302 HA GLN 45 HA GLN 45 -13.083 5.321 -13.159 303 HB2 GLN 45 HB2 GLN 45 -11.931 7.405 -15.017 304 HB3 GLN 45 HB3 GLN 45 -13.634 6.968 -14.970 305 HG2 GLN 45 HG2 GLN 45 -12.458 7.685 -12.378 306 HG3 GLN 45 HG3 GLN 45 -12.528 8.988 -13.562 307 HE21 GLN 45 HE21 GLN 45 -14.048 8.144 -11.008 308 HE22 GLN 45 HE22 GLN 45 -15.701 8.391 -11.442 309 H GLN 46 H GLN 46 -14.352 4.809 -15.210 310 HA GLN 46 HA GLN 46 -12.850 2.785 -16.686 311 HB2 GLN 46 HB2 GLN 46 -15.830 3.285 -16.624 312 HB3 GLN 46 HB3 GLN 46 -15.020 1.893 -17.330 313 HG2 GLN 46 HG2 GLN 46 -14.122 1.430 -15.000 314 HG3 GLN 46 HG3 GLN 46 -15.297 2.615 -14.433 315 HE21 GLN 46 HE21 GLN 46 -17.488 2.137 -15.865 316 HE22 GLN 46 HE22 GLN 46 -18.071 0.532 -15.604 317 HA PRO 47 HA PRO 47 -12.665 5.124 -20.402 318 HB2 PRO 47 HB2 PRO 47 -12.572 3.103 -22.213 319 HB3 PRO 47 HB3 PRO 47 -11.208 3.522 -21.170 320 HG2 PRO 47 HG2 PRO 47 -13.234 1.341 -20.854 321 HG3 PRO 47 HG3 PRO 47 -11.480 1.283 -20.603 322 HD2 PRO 47 HD2 PRO 47 -13.239 1.510 -18.556 323 HD3 PRO 47 HD3 PRO 47 -11.622 2.242 -18.512 324 H LYS 48 H LYS 48 -13.734 5.239 -22.615 325 HA LYS 48 HA LYS 48 -16.494 5.572 -22.324 326 HB2 LYS 48 HB2 LYS 48 -14.651 6.352 -24.167 327 HB3 LYS 48 HB3 LYS 48 -15.521 5.120 -25.073 328 HG2 LYS 48 HG2 LYS 48 -16.966 6.726 -25.590 329 HG3 LYS 48 HG3 LYS 48 -17.542 6.594 -23.927 330 HD2 LYS 48 HD2 LYS 48 -16.551 8.529 -23.292 331 HD3 LYS 48 HD3 LYS 48 -15.157 8.284 -24.347 332 HE2 LYS 48 HE2 LYS 48 -16.027 9.732 -25.788 333 HE3 LYS 48 HE3 LYS 48 -17.402 8.652 -26.016 334 HZ1 LYS 48 HZ1 LYS 48 -18.554 10.390 -25.235 335 HZ2 LYS 48 HZ2 LYS 48 -17.212 11.105 -24.495 336 HZ3 LYS 48 HZ3 LYS 48 -18.042 9.855 -23.714 337 H SER 49 H SER 49 -14.612 2.825 -23.326 338 HA SER 49 HA SER 49 -16.695 1.373 -24.589 339 HB2 SER 49 HB2 SER 49 -14.515 -0.119 -23.227 340 HB3 SER 49 HB3 SER 49 -15.147 -0.291 -24.864 341 HG SER 49 HG SER 49 -13.029 0.602 -24.822 342 H HIS 50 H HIS 50 -15.193 0.925 -21.382 343 HA HIS 50 HA HIS 50 -17.020 -0.963 -20.434 344 HB2 HIS 50 HB2 HIS 50 -14.905 0.703 -19.313 345 HB3 HIS 50 HB3 HIS 50 -16.220 0.428 -18.174 346 HD1 HIS 50 HD1 HIS 50 -14.601 -1.042 -16.741 347 HD2 HIS 50 HD2 HIS 50 -15.368 -2.507 -20.553 348 HE1 HIS 50 HE1 HIS 50 -13.798 -3.425 -16.720 349 H LYS 51 H LYS 51 -17.091 2.559 -20.346 350 HA LYS 51 HA LYS 51 -19.302 2.848 -18.626 351 HB2 LYS 51 HB2 LYS 51 -17.791 4.559 -20.484 352 HB3 LYS 51 HB3 LYS 51 -19.464 5.042 -20.246 353 HG2 LYS 51 HG2 LYS 51 -19.109 5.716 -18.132 354 HG3 LYS 51 HG3 LYS 51 -17.970 4.411 -17.792 355 HD2 LYS 51 HD2 LYS 51 -16.585 6.255 -17.747 356 HD3 LYS 51 HD3 LYS 51 -16.414 5.729 -19.423 357 HE2 LYS 51 HE2 LYS 51 -16.966 7.811 -19.997 358 HE3 LYS 51 HE3 LYS 51 -18.605 7.413 -19.483 359 HZ1 LYS 51 HZ1 LYS 51 -16.550 8.489 -17.638 360 HZ2 LYS 51 HZ2 LYS 51 -18.212 8.345 -17.363 361 HZ3 LYS 51 HZ3 LYS 51 -17.635 9.473 -18.483 362 H ILE 52 H ILE 52 -19.225 3.261 -22.172 363 HA ILE 52 HA ILE 52 -21.966 3.362 -22.576 364 HB ILE 52 HB ILE 52 -19.879 2.230 -24.443 365 HG12 ILE 52 HG12 ILE 52 -21.084 4.984 -24.557 366 HG13 ILE 52 HG13 ILE 52 -19.683 4.652 -23.547 367 HG21 ILE 52 HG21 ILE 52 -21.692 1.577 -25.598 368 HG22 ILE 52 HG22 ILE 52 -22.773 2.639 -24.697 369 HG23 ILE 52 HG23 ILE 52 -21.811 3.284 -26.028 370 HD11 ILE 52 HD11 ILE 52 -18.678 5.384 -25.459 371 HD12 ILE 52 HD12 ILE 52 -18.718 3.647 -25.763 372 HD13 ILE 52 HD13 ILE 52 -19.921 4.700 -26.506 373 H ALA 53 H ALA 53 -19.822 0.527 -22.680 374 HA ALA 53 HA ALA 53 -21.669 -1.410 -23.381 375 HB1 ALA 53 HB1 ALA 53 -20.183 -3.011 -22.208 376 HB2 ALA 53 HB2 ALA 53 -19.319 -1.910 -23.280 377 HB3 ALA 53 HB3 ALA 53 -19.294 -1.643 -21.538 378 H GLU 54 H GLU 54 -20.704 -0.485 -20.070 379 HA GLU 54 HA GLU 54 -22.482 -2.116 -18.696 380 HB2 GLU 54 HB2 GLU 54 -20.873 0.256 -18.088 381 HB3 GLU 54 HB3 GLU 54 -22.324 0.123 -17.103 382 HG2 GLU 54 HG2 GLU 54 -20.436 -2.178 -17.435 383 HG3 GLU 54 HG3 GLU 54 -20.173 -0.926 -16.221 384 H LYS 55 H LYS 55 -22.940 1.173 -19.925 385 HA LYS 55 HA LYS 55 -25.445 1.706 -18.848 386 HB2 LYS 55 HB2 LYS 55 -24.057 2.613 -21.350 387 HB3 LYS 55 HB3 LYS 55 -25.707 3.120 -21.016 388 HG2 LYS 55 HG2 LYS 55 -23.347 3.580 -19.203 389 HG3 LYS 55 HG3 LYS 55 -24.051 4.776 -20.294 390 HD2 LYS 55 HD2 LYS 55 -26.239 3.921 -18.898 391 HD3 LYS 55 HD3 LYS 55 -24.970 3.838 -17.674 392 HE2 LYS 55 HE2 LYS 55 -25.218 6.029 -17.384 393 HE3 LYS 55 HE3 LYS 55 -24.550 6.257 -19.000 394 HZ1 LYS 55 HZ1 LYS 55 -26.906 7.182 -18.333 395 HZ2 LYS 55 HZ2 LYS 55 -27.396 5.628 -18.782 396 HZ3 LYS 55 HZ3 LYS 55 -26.590 6.614 -19.895 397 H ILE 56 H ILE 56 -24.677 0.292 -22.028 398 HA ILE 56 HA ILE 56 -27.306 -0.145 -22.862 399 HB ILE 56 HB ILE 56 -24.851 -1.766 -23.546 400 HG12 ILE 56 HG12 ILE 56 -24.627 0.640 -24.046 401 HG13 ILE 56 HG13 ILE 56 -24.695 -0.329 -25.514 402 HG21 ILE 56 HG21 ILE 56 -26.739 -3.042 -24.176 403 HG22 ILE 56 HG22 ILE 56 -27.583 -1.623 -24.793 404 HG23 ILE 56 HG23 ILE 56 -26.173 -2.250 -25.645 405 HD11 ILE 56 HD11 ILE 56 -26.005 1.737 -25.673 406 HD12 ILE 56 HD12 ILE 56 -27.003 0.294 -25.854 407 HD13 ILE 56 HD13 ILE 56 -27.011 1.186 -24.334 408 H ILE 57 H ILE 57 -25.042 -2.508 -21.435 409 HA ILE 57 HA ILE 57 -26.765 -4.652 -21.215 410 HB ILE 57 HB ILE 57 -24.589 -3.881 -19.267 411 HG12 ILE 57 HG12 ILE 57 -23.827 -4.063 -21.614 412 HG13 ILE 57 HG13 ILE 57 -23.147 -5.327 -20.594 413 HG21 ILE 57 HG21 ILE 57 -25.952 -5.530 -18.240 414 HG22 ILE 57 HG22 ILE 57 -26.050 -6.470 -19.728 415 HG23 ILE 57 HG23 ILE 57 -24.523 -6.361 -18.854 416 HD11 ILE 57 HD11 ILE 57 -24.863 -6.879 -21.450 417 HD12 ILE 57 HD12 ILE 57 -25.423 -5.610 -22.539 418 HD13 ILE 57 HD13 ILE 57 -23.792 -6.259 -22.705 419 H ASP 58 H ASP 58 -26.466 -1.835 -19.146 420 HA ASP 58 HA ASP 58 -28.056 -2.810 -17.009 421 HB2 ASP 58 HB2 ASP 58 -27.009 -0.154 -17.859 422 HB3 ASP 58 HB3 ASP 58 -28.357 -0.172 -16.726 423 H LYS 59 H LYS 59 -28.838 -0.411 -19.535 424 HA LYS 59 HA LYS 59 -31.571 -0.250 -18.979 425 HB2 LYS 59 HB2 LYS 59 -29.785 0.559 -21.162 426 HB3 LYS 59 HB3 LYS 59 -31.436 0.245 -21.678 427 HG2 LYS 59 HG2 LYS 59 -31.859 1.755 -19.465 428 HG3 LYS 59 HG3 LYS 59 -30.344 2.434 -20.065 429 HD2 LYS 59 HD2 LYS 59 -32.581 1.950 -21.981 430 HD3 LYS 59 HD3 LYS 59 -32.657 3.350 -20.909 431 HE2 LYS 59 HE2 LYS 59 -30.219 3.762 -21.748 432 HE3 LYS 59 HE3 LYS 59 -30.710 2.727 -23.089 433 HZ1 LYS 59 HZ1 LYS 59 -31.628 5.412 -22.380 434 HZ2 LYS 59 HZ2 LYS 59 -32.749 4.363 -23.088 435 HZ3 LYS 59 HZ3 LYS 59 -31.316 4.744 -23.902 436 H ALA 60 H ALA 60 -29.745 -2.644 -20.683 437 HA ALA 60 HA ALA 60 -31.958 -3.783 -22.106 438 HB1 ALA 60 HB1 ALA 60 -29.160 -4.732 -21.549 439 HB2 ALA 60 HB2 ALA 60 -30.337 -5.706 -22.433 440 HB3 ALA 60 HB3 ALA 60 -29.835 -4.139 -23.067 441 H LYS 61 H LYS 61 -29.995 -4.966 -19.367 442 HA LYS 61 HA LYS 61 -31.694 -7.128 -18.751 443 HB2 LYS 61 HB2 LYS 61 -30.410 -7.372 -16.743 444 HB3 LYS 61 HB3 LYS 61 -29.308 -6.890 -18.026 445 HG2 LYS 61 HG2 LYS 61 -29.583 -4.519 -17.174 446 HG3 LYS 61 HG3 LYS 61 -30.362 -5.229 -15.759 447 HD2 LYS 61 HD2 LYS 61 -28.181 -6.740 -15.786 448 HD3 LYS 61 HD3 LYS 61 -27.521 -5.335 -16.626 449 HE2 LYS 61 HE2 LYS 61 -27.937 -3.916 -14.799 450 HE3 LYS 61 HE3 LYS 61 -29.025 -5.077 -14.040 451 HZ1 LYS 61 HZ1 LYS 61 -26.394 -6.131 -14.431 452 HZ2 LYS 61 HZ2 LYS 61 -27.333 -6.076 -13.026 453 HZ3 LYS 61 HZ3 LYS 61 -26.385 -4.745 -13.463 454 H THR 62 H THR 62 -31.777 -3.761 -17.906 455 HA THR 62 HA THR 62 -33.580 -4.041 -15.698 456 HB THR 62 HB THR 62 -32.896 -1.603 -17.353 457 HG1 THR 62 HG1 THR 62 -31.204 -1.466 -16.091 458 HG21 THR 62 HG21 THR 62 -34.643 -2.016 -14.975 459 HG22 THR 62 HG22 THR 62 -34.841 -0.921 -16.343 460 HG23 THR 62 HG23 THR 62 -33.684 -0.540 -15.068 461 H THR 63 H THR 63 -33.895 -3.626 -19.149 462 HA THR 63 HA THR 63 -36.740 -3.061 -18.981 463 HB THR 63 HB THR 63 -34.966 -3.483 -21.395 464 HG1 THR 63 HG1 THR 63 -35.098 -1.215 -21.544 465 HG21 THR 63 HG21 THR 63 -36.847 -2.497 -22.659 466 HG22 THR 63 HG22 THR 63 -37.828 -2.535 -21.195 467 HG23 THR 63 HG23 THR 63 -37.269 -4.041 -21.923 468 H LEU 64 H LEU 64 -34.619 -5.756 -19.537 469 HA LEU 64 HA LEU 64 -34.979 -7.961 -19.977 470 HB2 LEU 64 HB2 LEU 64 -37.275 -7.112 -18.296 471 HB3 LEU 64 HB3 LEU 64 -37.343 -8.709 -19.037 472 HG LEU 64 HG LEU 64 -34.958 -7.899 -17.419 473 HD11 LEU 64 HD11 LEU 64 -35.950 -8.242 -15.414 474 HD12 LEU 64 HD12 LEU 64 -37.141 -9.367 -16.068 475 HD13 LEU 64 HD13 LEU 64 -37.357 -7.630 -16.284 476 HD21 LEU 64 HD21 LEU 64 -34.397 -9.939 -18.143 477 HD22 LEU 64 HD22 LEU 64 -36.048 -10.322 -18.631 478 HD23 LEU 64 HD23 LEU 64 -35.555 -10.530 -16.950 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.191 -9.766 -5.305 2 HA ALA 1 HA ALA 1 -1.320 -9.137 -3.084 3 HB1 ALA 1 HB1 ALA 1 0.674 -9.604 -1.755 4 HB2 ALA 1 HB2 ALA 1 0.487 -10.778 -3.059 5 HB3 ALA 1 HB3 ALA 1 1.674 -9.481 -3.202 6 H LYS 2 H LYS 2 0.527 -7.039 -5.005 7 HA LYS 2 HA LYS 2 1.002 -5.084 -2.915 8 HB2 LYS 2 HB2 LYS 2 2.051 -3.754 -4.646 9 HB3 LYS 2 HB3 LYS 2 2.632 -5.411 -4.750 10 HG2 LYS 2 HG2 LYS 2 2.073 -5.444 -6.887 11 HG3 LYS 2 HG3 LYS 2 0.380 -5.243 -6.429 12 HD2 LYS 2 HD2 LYS 2 0.902 -2.742 -6.294 13 HD3 LYS 2 HD3 LYS 2 2.389 -3.132 -7.161 14 HE2 LYS 2 HE2 LYS 2 1.147 -4.003 -9.017 15 HE3 LYS 2 HE3 LYS 2 -0.370 -3.862 -8.131 16 HZ1 LYS 2 HZ1 LYS 2 1.339 -1.660 -9.140 17 HZ2 LYS 2 HZ2 LYS 2 0.056 -1.416 -8.066 18 HZ3 LYS 2 HZ3 LYS 2 -0.241 -2.038 -9.611 19 H ALA 3 H ALA 3 -0.029 -3.118 -2.699 20 HA ALA 3 HA ALA 3 -2.762 -3.018 -3.442 21 HB1 ALA 3 HB1 ALA 3 -2.814 -1.584 -1.753 22 HB2 ALA 3 HB2 ALA 3 -1.053 -1.635 -1.662 23 HB3 ALA 3 HB3 ALA 3 -1.849 -0.433 -2.678 24 H CYS 4 H CYS 4 -3.490 -2.599 -5.415 25 HA CYS 4 HA CYS 4 -1.939 -0.838 -7.175 26 HB2 CYS 4 HB2 CYS 4 -2.992 -1.874 -9.011 27 HB3 CYS 4 HB3 CYS 4 -2.672 -3.189 -7.884 28 H THR 5 H THR 5 -3.711 0.144 -8.893 29 HA THR 5 HA THR 5 -5.479 1.790 -7.208 30 HB THR 5 HB THR 5 -4.295 2.488 -9.902 31 HG1 THR 5 HG1 THR 5 -2.622 2.747 -8.563 32 HG21 THR 5 HG21 THR 5 -6.446 3.576 -9.494 33 HG22 THR 5 HG22 THR 5 -5.127 4.746 -9.421 34 HG23 THR 5 HG23 THR 5 -5.866 4.155 -7.933 35 HA PRO 6 HA PRO 6 -8.338 -0.726 -9.815 36 HB2 PRO 6 HB2 PRO 6 -10.210 -1.009 -7.869 37 HB3 PRO 6 HB3 PRO 6 -8.816 -2.085 -8.025 38 HG2 PRO 6 HG2 PRO 6 -9.211 0.248 -6.192 39 HG3 PRO 6 HG3 PRO 6 -8.513 -1.344 -5.842 40 HD2 PRO 6 HD2 PRO 6 -6.990 0.851 -6.281 41 HD3 PRO 6 HD3 PRO 6 -6.465 -0.782 -6.739 42 H LEU 7 H LEU 7 -10.969 -0.362 -9.629 43 HA LEU 7 HA LEU 7 -11.388 2.203 -10.729 44 HB2 LEU 7 HB2 LEU 7 -12.709 -0.011 -11.030 45 HB3 LEU 7 HB3 LEU 7 -13.606 0.532 -9.614 46 HG LEU 7 HG LEU 7 -14.083 2.661 -10.933 47 HD11 LEU 7 HD11 LEU 7 -12.529 2.587 -12.687 48 HD12 LEU 7 HD12 LEU 7 -14.078 2.208 -13.439 49 HD13 LEU 7 HD13 LEU 7 -12.930 0.917 -13.088 50 HD21 LEU 7 HD21 LEU 7 -15.879 1.205 -10.580 51 HD22 LEU 7 HD22 LEU 7 -15.194 -0.041 -11.623 52 HD23 LEU 7 HD23 LEU 7 -15.846 1.439 -12.328 53 H LEU 8 H LEU 8 -12.136 4.074 -9.882 54 HA LEU 8 HA LEU 8 -12.754 5.639 -8.352 55 HB2 LEU 8 HB2 LEU 8 -13.675 3.460 -6.515 56 HB3 LEU 8 HB3 LEU 8 -14.309 5.094 -6.699 57 HG LEU 8 HG LEU 8 -14.667 2.798 -8.622 58 HD11 LEU 8 HD11 LEU 8 -16.198 2.355 -6.989 59 HD12 LEU 8 HD12 LEU 8 -17.132 3.474 -7.982 60 HD13 LEU 8 HD13 LEU 8 -16.346 4.046 -6.511 61 HD21 LEU 8 HD21 LEU 8 -14.890 5.671 -8.982 62 HD22 LEU 8 HD22 LEU 8 -16.400 4.827 -9.328 63 HD23 LEU 8 HD23 LEU 8 -14.921 4.375 -10.177 64 H HIS 9 H HIS 9 -10.161 5.148 -8.317 65 HA HIS 9 HA HIS 9 -9.477 5.399 -5.490 66 HB2 HIS 9 HB2 HIS 9 -8.564 3.240 -7.300 67 HB3 HIS 9 HB3 HIS 9 -7.323 3.984 -6.298 68 HD1 HIS 9 HD1 HIS 9 -7.019 2.859 -4.128 69 HD2 HIS 9 HD2 HIS 9 -10.903 2.441 -5.542 70 HE1 HIS 9 HE1 HIS 9 -8.201 1.427 -2.432 71 H ASP 10 H ASP 10 -7.168 6.167 -5.234 72 HA ASP 10 HA ASP 10 -6.795 8.503 -6.783 73 HB2 ASP 10 HB2 ASP 10 -5.183 7.098 -4.679 74 HB3 ASP 10 HB3 ASP 10 -4.482 8.447 -5.568 75 H CYS 11 H CYS 11 -6.013 8.640 -8.770 76 HA CYS 11 HA CYS 11 -3.991 6.676 -9.628 77 HB2 CYS 11 HB2 CYS 11 -4.898 6.673 -11.822 78 HB3 CYS 11 HB3 CYS 11 -6.272 6.507 -10.733 79 H SER 12 H SER 12 -4.256 9.716 -8.647 80 HA SER 12 HA SER 12 -3.191 11.370 -10.595 81 HB2 SER 12 HB2 SER 12 -4.020 12.029 -8.286 82 HB3 SER 12 HB3 SER 12 -2.446 11.526 -7.671 83 HG SER 12 HG SER 12 -2.629 13.348 -9.810 84 H HIS 13 H HIS 13 -1.489 9.307 -8.264 85 HA HIS 13 HA HIS 13 1.055 9.913 -9.573 86 HB2 HIS 13 HB2 HIS 13 0.305 8.600 -6.976 87 HB3 HIS 13 HB3 HIS 13 1.918 8.393 -7.651 88 HD1 HIS 13 HD1 HIS 13 2.769 11.076 -8.504 89 HD2 HIS 13 HD2 HIS 13 0.463 10.519 -5.093 90 HE1 HIS 13 HE1 HIS 13 3.156 13.119 -7.089 91 H ASP 14 H ASP 14 -1.256 8.094 -10.523 92 HA ASP 14 HA ASP 14 0.478 6.052 -11.611 93 HB2 ASP 14 HB2 ASP 14 -1.880 4.692 -10.670 94 HB3 ASP 14 HB3 ASP 14 -0.186 4.314 -10.369 95 H ARG 15 H ARG 15 0.061 6.610 -13.677 96 HA ARG 15 HA ARG 15 -2.644 7.149 -14.560 97 HB2 ARG 15 HB2 ARG 15 -0.066 7.012 -16.135 98 HB3 ARG 15 HB3 ARG 15 -1.609 7.596 -16.743 99 HG2 ARG 15 HG2 ARG 15 -1.488 9.559 -15.570 100 HG3 ARG 15 HG3 ARG 15 -0.447 8.875 -14.320 101 HD2 ARG 15 HD2 ARG 15 0.476 9.270 -17.154 102 HD3 ARG 15 HD3 ARG 15 0.618 10.531 -15.930 103 HE ARG 15 HE ARG 15 1.748 8.209 -14.887 104 HH11 ARG 15 HH11 ARG 15 2.319 10.462 -17.478 105 HH12 ARG 15 HH12 ARG 15 4.034 10.224 -17.482 106 HH21 ARG 15 HH21 ARG 15 4.006 7.887 -14.882 107 HH22 ARG 15 HH22 ARG 15 4.993 8.758 -16.007 108 H HIS 16 H HIS 16 -0.111 5.010 -15.877 109 HA HIS 16 HA HIS 16 -2.194 3.191 -16.816 110 HB2 HIS 16 HB2 HIS 16 0.665 3.670 -17.516 111 HB3 HIS 16 HB3 HIS 16 0.002 2.062 -17.798 112 HD1 HIS 16 HD1 HIS 16 0.770 3.265 -20.299 113 HD2 HIS 16 HD2 HIS 16 -2.872 4.230 -18.551 114 HE1 HIS 16 HE1 HIS 16 -0.658 4.154 -22.169 115 H SER 17 H SER 17 -1.414 3.429 -13.967 116 HA SER 17 HA SER 17 -0.226 0.795 -13.472 117 HB2 SER 17 HB2 SER 17 -0.909 2.669 -11.250 118 HB3 SER 17 HB3 SER 17 0.452 1.559 -11.403 119 HG SER 17 HG SER 17 1.473 2.985 -12.730 120 H CYS 18 H CYS 18 -3.219 2.396 -13.546 121 HA CYS 18 HA CYS 18 -4.714 1.233 -11.547 122 HB2 CYS 18 HB2 CYS 18 -5.329 2.207 -14.297 123 HB3 CYS 18 HB3 CYS 18 -6.563 1.265 -13.467 124 H CYS 19 H CYS 19 -5.805 -0.677 -11.259 125 HA CYS 19 HA CYS 19 -4.685 -3.003 -12.412 126 HB2 CYS 19 HB2 CYS 19 -6.880 -2.405 -10.499 127 HB3 CYS 19 HB3 CYS 19 -6.916 -3.979 -11.289 128 H ARG 20 H ARG 20 -6.258 -4.777 -13.271 129 HA ARG 20 HA ARG 20 -7.340 -3.757 -15.734 130 HB2 ARG 20 HB2 ARG 20 -7.521 -6.005 -16.423 131 HB3 ARG 20 HB3 ARG 20 -6.059 -5.941 -15.446 132 HG2 ARG 20 HG2 ARG 20 -7.707 -6.639 -13.521 133 HG3 ARG 20 HG3 ARG 20 -8.671 -7.236 -14.873 134 HD2 ARG 20 HD2 ARG 20 -7.365 -9.022 -15.072 135 HD3 ARG 20 HD3 ARG 20 -5.936 -8.001 -15.234 136 HE ARG 20 HE ARG 20 -6.571 -8.085 -12.536 137 HH11 ARG 20 HH11 ARG 20 -5.595 -10.303 -15.035 138 HH12 ARG 20 HH12 ARG 20 -4.782 -11.377 -13.946 139 HH21 ARG 20 HH21 ARG 20 -5.504 -9.491 -11.091 140 HH22 ARG 20 HH22 ARG 20 -4.731 -10.915 -11.703 141 H GLY 21 H GLY 21 -9.512 -4.606 -16.507 142 HA2 GLY 21 HA2 GLY 21 -11.472 -4.269 -14.323 143 HA3 GLY 21 HA3 GLY 21 -11.729 -3.723 -15.973 144 H ASP 22 H ASP 22 -13.658 -4.885 -16.165 145 HA ASP 22 HA ASP 22 -13.701 -7.733 -15.748 146 HB2 ASP 22 HB2 ASP 22 -15.631 -5.745 -15.868 147 HB3 ASP 22 HB3 ASP 22 -15.887 -6.660 -17.352 148 H MET 23 H MET 23 -13.386 -5.540 -18.469 149 HA MET 23 HA MET 23 -12.852 -7.866 -20.193 150 HB2 MET 23 HB2 MET 23 -14.183 -5.299 -21.073 151 HB3 MET 23 HB3 MET 23 -13.870 -6.713 -22.071 152 HG2 MET 23 HG2 MET 23 -15.593 -6.869 -19.625 153 HG3 MET 23 HG3 MET 23 -16.236 -6.362 -21.186 154 HE1 MET 23 HE1 MET 23 -17.791 -9.675 -21.506 155 HE2 MET 23 HE2 MET 23 -17.930 -7.960 -21.120 156 HE3 MET 23 HE3 MET 23 -17.442 -8.464 -22.740 157 H PHE 24 H PHE 24 -12.238 -4.442 -19.568 158 HA PHE 24 HA PHE 24 -9.588 -4.776 -20.793 159 HB2 PHE 24 HB2 PHE 24 -11.208 -2.244 -21.055 160 HB3 PHE 24 HB3 PHE 24 -9.706 -2.654 -21.877 161 HD1 PHE 24 HD1 PHE 24 -13.322 -3.163 -21.782 162 HD2 PHE 24 HD2 PHE 24 -9.693 -4.143 -23.779 163 HE1 PHE 24 HE1 PHE 24 -14.611 -4.057 -23.678 164 HE2 PHE 24 HE2 PHE 24 -10.975 -5.039 -25.678 165 HZ PHE 24 HZ PHE 24 -13.437 -4.997 -25.629 166 H LYS 25 H LYS 25 -8.226 -2.700 -20.208 167 HA LYS 25 HA LYS 25 -8.156 -2.622 -17.322 168 HB2 LYS 25 HB2 LYS 25 -6.040 -2.822 -18.379 169 HB3 LYS 25 HB3 LYS 25 -6.379 -1.493 -19.480 170 HG2 LYS 25 HG2 LYS 25 -5.844 0.094 -17.953 171 HG3 LYS 25 HG3 LYS 25 -6.388 -0.878 -16.585 172 HD2 LYS 25 HD2 LYS 25 -4.384 -1.949 -16.374 173 HD3 LYS 25 HD3 LYS 25 -4.017 -1.833 -18.096 174 HE2 LYS 25 HE2 LYS 25 -4.152 0.776 -16.846 175 HE3 LYS 25 HE3 LYS 25 -2.967 -0.265 -16.056 176 HZ1 LYS 25 HZ1 LYS 25 -2.885 -0.327 -18.941 177 HZ2 LYS 25 HZ2 LYS 25 -1.621 -0.202 -17.825 178 HZ3 LYS 25 HZ3 LYS 25 -2.495 1.176 -18.270 179 H TYR 26 H TYR 26 -8.387 -0.811 -16.020 180 HA TYR 26 HA TYR 26 -10.265 1.133 -16.932 181 HB2 TYR 26 HB2 TYR 26 -8.689 1.014 -14.352 182 HB3 TYR 26 HB3 TYR 26 -10.060 2.073 -14.662 183 HD1 TYR 26 HD1 TYR 26 -11.976 0.320 -15.974 184 HD2 TYR 26 HD2 TYR 26 -9.356 -0.493 -12.721 185 HE1 TYR 26 HE1 TYR 26 -13.512 -1.430 -15.181 186 HE2 TYR 26 HE2 TYR 26 -10.883 -2.246 -11.921 187 HH TYR 26 HH TYR 26 -13.633 -3.286 -13.802 188 H VAL 27 H VAL 27 -9.966 3.459 -16.819 189 HA VAL 27 HA VAL 27 -7.217 4.255 -17.527 190 HB VAL 27 HB VAL 27 -8.496 4.544 -19.480 191 HG11 VAL 27 HG11 VAL 27 -10.667 5.745 -19.502 192 HG12 VAL 27 HG12 VAL 27 -10.709 4.238 -18.584 193 HG13 VAL 27 HG13 VAL 27 -10.622 5.785 -17.740 194 HG21 VAL 27 HG21 VAL 27 -7.140 6.540 -18.643 195 HG22 VAL 27 HG22 VAL 27 -8.323 6.843 -19.914 196 HG23 VAL 27 HG23 VAL 27 -8.692 7.273 -18.244 197 H CYS 28 H CYS 28 -6.430 6.229 -16.767 198 HA CYS 28 HA CYS 28 -7.666 7.123 -14.289 199 HB2 CYS 28 HB2 CYS 28 -5.301 6.692 -14.183 200 HB3 CYS 28 HB3 CYS 28 -4.998 7.731 -15.571 201 H ASP 29 H ASP 29 -8.790 8.946 -14.074 202 HA ASP 29 HA ASP 29 -8.705 10.897 -16.281 203 HB2 ASP 29 HB2 ASP 29 -10.965 9.773 -14.699 204 HB3 ASP 29 HB3 ASP 29 -11.073 11.462 -15.187 205 H CYS 30 H CYS 30 -8.090 12.904 -15.805 206 HA CYS 30 HA CYS 30 -7.872 13.643 -12.964 207 HB2 CYS 30 HB2 CYS 30 -6.270 14.460 -15.385 208 HB3 CYS 30 HB3 CYS 30 -6.200 15.357 -13.871 209 H PHE 31 H PHE 31 -8.625 15.614 -12.247 210 HA PHE 31 HA PHE 31 -9.903 17.411 -14.155 211 HB2 PHE 31 HB2 PHE 31 -11.334 15.890 -11.997 212 HB3 PHE 31 HB3 PHE 31 -11.917 17.472 -12.506 213 HD1 PHE 31 HD2 PHE 31 -12.590 17.814 -14.889 214 HD2 PHE 31 HD1 PHE 31 -11.739 13.965 -13.283 215 HE1 PHE 31 HE2 PHE 31 -13.781 16.770 -16.771 216 HE2 PHE 31 HE1 PHE 31 -12.927 12.915 -15.165 217 HZ PHE 31 HZ PHE 31 -13.949 14.318 -16.912 218 H TYR 32 H TYR 32 -10.301 19.517 -13.326 219 HA TYR 32 HA TYR 32 -9.037 20.095 -10.734 220 HB2 TYR 32 HB2 TYR 32 -8.721 22.018 -13.004 221 HB3 TYR 32 HB3 TYR 32 -7.704 21.787 -11.586 222 HD1 TYR 32 HD1 TYR 32 -8.521 20.519 -14.939 223 HD2 TYR 32 HD2 TYR 32 -5.940 20.150 -11.577 224 HE1 TYR 32 HE1 TYR 32 -6.988 19.133 -16.274 225 HE2 TYR 32 HE2 TYR 32 -4.400 18.765 -12.903 226 HH TYR 32 HH TYR 32 -3.840 18.238 -15.118 227 HA PRO 33 HA PRO 33 -12.562 22.554 -9.844 228 HB2 PRO 33 HB2 PRO 33 -11.472 24.498 -8.293 229 HB3 PRO 33 HB3 PRO 33 -11.687 22.833 -7.737 230 HG2 PRO 33 HG2 PRO 33 -9.229 24.176 -8.795 231 HG3 PRO 33 HG3 PRO 33 -9.396 23.078 -7.413 232 HD2 PRO 33 HD2 PRO 33 -8.474 22.256 -9.823 233 HD3 PRO 33 HD3 PRO 33 -9.410 21.199 -8.747 234 H GLU 34 H GLU 34 -12.523 23.166 -12.232 235 HA GLU 34 HA GLU 34 -12.748 24.730 -13.869 236 HB2 GLU 34 HB2 GLU 34 -14.029 25.728 -11.748 237 HB3 GLU 34 HB3 GLU 34 -12.786 26.962 -11.903 238 HG2 GLU 34 HG2 GLU 34 -13.779 26.543 -14.487 239 HG3 GLU 34 HG3 GLU 34 -15.184 26.590 -13.424 240 H GLY 35 H GLY 35 -10.054 24.126 -12.694 241 HA2 GLY 35 HA2 GLY 35 -8.431 25.597 -14.331 242 HA3 GLY 35 HA3 GLY 35 -8.539 26.559 -12.863 243 H GLU 36 H GLU 36 -6.233 25.185 -14.073 244 HA GLU 36 HA GLU 36 -5.643 23.103 -12.108 245 HB2 GLU 36 HB2 GLU 36 -3.693 22.603 -13.475 246 HB3 GLU 36 HB3 GLU 36 -5.140 22.645 -14.474 247 HG2 GLU 36 HG2 GLU 36 -3.721 25.198 -14.289 248 HG3 GLU 36 HG3 GLU 36 -2.806 23.900 -15.054 249 H ASP 37 H ASP 37 -5.821 25.947 -11.389 250 HA ASP 37 HA ASP 37 -3.035 26.445 -10.576 251 HB2 ASP 37 HB2 ASP 37 -3.487 28.751 -10.515 252 HB3 ASP 37 HB3 ASP 37 -4.323 28.188 -11.960 253 H LYS 38 H LYS 38 -5.336 24.782 -9.361 254 HA LYS 38 HA LYS 38 -5.045 25.875 -6.643 255 HB2 LYS 38 HB2 LYS 38 -7.509 24.690 -7.921 256 HB3 LYS 38 HB3 LYS 38 -7.334 24.887 -6.183 257 HG2 LYS 38 HG2 LYS 38 -6.760 27.320 -7.680 258 HG3 LYS 38 HG3 LYS 38 -8.406 26.724 -7.905 259 HD2 LYS 38 HD2 LYS 38 -7.379 26.744 -5.132 260 HD3 LYS 38 HD3 LYS 38 -7.677 28.319 -5.870 261 HE2 LYS 38 HE2 LYS 38 -9.934 27.972 -6.021 262 HE3 LYS 38 HE3 LYS 38 -9.767 26.222 -6.144 263 HZ1 LYS 38 HZ1 LYS 38 -10.738 26.944 -4.024 264 HZ2 LYS 38 HZ2 LYS 38 -9.319 27.789 -3.663 265 HZ3 LYS 38 HZ3 LYS 38 -9.286 26.104 -3.806 266 H THR 39 H THR 39 -6.525 22.922 -7.955 267 HA THR 39 HA THR 39 -4.379 21.273 -6.933 268 HB THR 39 HB THR 39 -7.149 20.825 -5.819 269 HG1 THR 39 HG1 THR 39 -5.032 21.738 -4.217 270 HG21 THR 39 HG21 THR 39 -5.392 18.945 -6.052 271 HG22 THR 39 HG22 THR 39 -6.190 19.159 -4.493 272 HG23 THR 39 HG23 THR 39 -4.555 19.772 -4.739 273 H GLU 40 H GLU 40 -4.236 19.349 -7.982 274 HA GLU 40 HA GLU 40 -6.227 18.861 -10.077 275 HB2 GLU 40 HB2 GLU 40 -4.453 17.328 -11.006 276 HB3 GLU 40 HB3 GLU 40 -4.027 19.033 -10.965 277 HG2 GLU 40 HG2 GLU 40 -2.303 18.681 -9.605 278 HG3 GLU 40 HG3 GLU 40 -3.235 17.618 -8.553 279 H VAL 41 H VAL 41 -7.758 17.436 -9.617 280 HA VAL 41 HA VAL 41 -7.141 15.223 -7.781 281 HB VAL 41 HB VAL 41 -9.879 16.163 -8.635 282 HG11 VAL 41 HG11 VAL 41 -8.981 14.427 -6.336 283 HG12 VAL 41 HG12 VAL 41 -10.643 14.898 -6.695 284 HG13 VAL 41 HG13 VAL 41 -9.759 13.860 -7.813 285 HG21 VAL 41 HG21 VAL 41 -8.068 17.107 -6.468 286 HG22 VAL 41 HG22 VAL 41 -9.192 18.018 -7.476 287 HG23 VAL 41 HG23 VAL 41 -9.801 17.028 -6.150 288 H CYS 42 H CYS 42 -6.798 13.304 -8.662 289 HA CYS 42 HA CYS 42 -8.152 12.653 -11.198 290 HB2 CYS 42 HB2 CYS 42 -5.471 11.569 -10.324 291 HB3 CYS 42 HB3 CYS 42 -6.234 11.402 -11.902 292 H SER 43 H SER 43 -8.892 10.532 -11.479 293 HA SER 43 HA SER 43 -8.661 8.655 -9.270 294 HB2 SER 43 HB2 SER 43 -11.284 8.407 -9.461 295 HB3 SER 43 HB3 SER 43 -10.574 9.620 -8.397 296 HG SER 43 HG SER 43 -11.022 11.186 -9.882 297 H CYS 44 H CYS 44 -9.258 6.518 -9.820 298 HA CYS 44 HA CYS 44 -8.857 5.888 -12.582 299 HB2 CYS 44 HB2 CYS 44 -8.219 4.566 -10.372 300 HB3 CYS 44 HB3 CYS 44 -9.795 3.828 -10.636 301 H GLN 45 H GLN 45 -10.327 5.544 -14.117 302 HA GLN 45 HA GLN 45 -13.077 4.886 -13.344 303 HB2 GLN 45 HB2 GLN 45 -12.303 7.053 -15.305 304 HB3 GLN 45 HB3 GLN 45 -13.944 6.489 -15.015 305 HG2 GLN 45 HG2 GLN 45 -12.767 7.201 -12.522 306 HG3 GLN 45 HG3 GLN 45 -12.520 8.516 -13.669 307 HE21 GLN 45 HE21 GLN 45 -14.504 7.488 -11.344 308 HE22 GLN 45 HE22 GLN 45 -15.998 8.176 -11.870 309 H GLN 46 H GLN 46 -14.332 4.631 -15.642 310 HA GLN 46 HA GLN 46 -12.846 2.507 -16.988 311 HB2 GLN 46 HB2 GLN 46 -15.772 3.248 -16.964 312 HB3 GLN 46 HB3 GLN 46 -15.107 1.993 -18.002 313 HG2 GLN 46 HG2 GLN 46 -14.165 1.044 -15.762 314 HG3 GLN 46 HG3 GLN 46 -15.441 2.025 -15.043 315 HE21 GLN 46 HE21 GLN 46 -17.427 1.776 -16.915 316 HE22 GLN 46 HE22 GLN 46 -17.964 0.135 -16.976 317 HA PRO 47 HA PRO 47 -12.086 4.883 -20.610 318 HB2 PRO 47 HB2 PRO 47 -11.892 2.877 -22.428 319 HB3 PRO 47 HB3 PRO 47 -10.638 3.210 -21.227 320 HG2 PRO 47 HG2 PRO 47 -12.803 1.142 -21.182 321 HG3 PRO 47 HG3 PRO 47 -11.096 0.985 -20.729 322 HD2 PRO 47 HD2 PRO 47 -13.067 1.291 -18.898 323 HD3 PRO 47 HD3 PRO 47 -11.429 1.932 -18.654 324 H LYS 48 H LYS 48 -12.902 5.175 -22.875 325 HA LYS 48 HA LYS 48 -15.648 5.619 -22.914 326 HB2 LYS 48 HB2 LYS 48 -13.527 6.255 -24.548 327 HB3 LYS 48 HB3 LYS 48 -14.474 5.177 -25.563 328 HG2 LYS 48 HG2 LYS 48 -15.637 6.993 -26.112 329 HG3 LYS 48 HG3 LYS 48 -16.387 6.836 -24.522 330 HD2 LYS 48 HD2 LYS 48 -15.677 9.031 -24.486 331 HD3 LYS 48 HD3 LYS 48 -14.317 8.207 -23.721 332 HE2 LYS 48 HE2 LYS 48 -13.850 8.150 -26.500 333 HE3 LYS 48 HE3 LYS 48 -14.366 9.789 -26.105 334 HZ1 LYS 48 HZ1 LYS 48 -12.578 10.109 -24.712 335 HZ2 LYS 48 HZ2 LYS 48 -11.883 9.169 -25.935 336 HZ3 LYS 48 HZ3 LYS 48 -12.317 8.456 -24.464 337 H SER 49 H SER 49 -13.803 2.800 -23.806 338 HA SER 49 HA SER 49 -15.801 1.488 -25.320 339 HB2 SER 49 HB2 SER 49 -13.184 0.993 -24.858 340 HB3 SER 49 HB3 SER 49 -13.912 -0.185 -23.766 341 HG SER 49 HG SER 49 -13.613 -0.380 -26.376 342 H HIS 50 H HIS 50 -14.737 0.957 -21.956 343 HA HIS 50 HA HIS 50 -16.718 -0.880 -21.259 344 HB2 HIS 50 HB2 HIS 50 -14.705 0.691 -19.887 345 HB3 HIS 50 HB3 HIS 50 -16.176 0.567 -18.928 346 HD1 HIS 50 HD1 HIS 50 -16.916 -1.852 -18.217 347 HD2 HIS 50 HD2 HIS 50 -13.204 -1.624 -20.066 348 HE1 HIS 50 HE1 HIS 50 -15.794 -4.052 -17.746 349 H LYS 51 H LYS 51 -16.693 2.653 -21.026 350 HA LYS 51 HA LYS 51 -19.127 2.972 -19.680 351 HB2 LYS 51 HB2 LYS 51 -17.485 4.709 -21.480 352 HB3 LYS 51 HB3 LYS 51 -19.101 5.235 -21.026 353 HG2 LYS 51 HG2 LYS 51 -18.542 5.501 -18.812 354 HG3 LYS 51 HG3 LYS 51 -17.197 4.361 -18.904 355 HD2 LYS 51 HD2 LYS 51 -15.765 5.917 -19.814 356 HD3 LYS 51 HD3 LYS 51 -17.076 6.875 -20.506 357 HE2 LYS 51 HE2 LYS 51 -17.720 7.446 -18.119 358 HE3 LYS 51 HE3 LYS 51 -16.176 6.745 -17.637 359 HZ1 LYS 51 HZ1 LYS 51 -15.541 8.455 -19.668 360 HZ2 LYS 51 HZ2 LYS 51 -15.328 8.747 -18.016 361 HZ3 LYS 51 HZ3 LYS 51 -16.723 9.297 -18.798 362 H ILE 52 H ILE 52 -18.525 3.380 -23.177 363 HA ILE 52 HA ILE 52 -21.184 3.579 -23.959 364 HB ILE 52 HB ILE 52 -18.882 2.418 -25.533 365 HG12 ILE 52 HG12 ILE 52 -19.985 5.202 -25.792 366 HG13 ILE 52 HG13 ILE 52 -18.776 4.830 -24.567 367 HG21 ILE 52 HG21 ILE 52 -20.647 1.784 -26.828 368 HG22 ILE 52 HG22 ILE 52 -21.690 3.074 -26.235 369 HG23 ILE 52 HG23 ILE 52 -20.435 3.431 -27.422 370 HD11 ILE 52 HD11 ILE 52 -17.536 3.786 -26.665 371 HD12 ILE 52 HD12 ILE 52 -18.518 4.986 -27.507 372 HD13 ILE 52 HD13 ILE 52 -17.404 5.491 -26.237 373 H ALA 53 H ALA 53 -19.123 0.699 -23.724 374 HA ALA 53 HA ALA 53 -20.893 -1.186 -24.737 375 HB1 ALA 53 HB1 ALA 53 -19.022 -1.743 -22.451 376 HB2 ALA 53 HB2 ALA 53 -19.545 -2.836 -23.733 377 HB3 ALA 53 HB3 ALA 53 -18.457 -1.499 -24.104 378 H GLU 54 H GLU 54 -20.381 -0.317 -21.313 379 HA GLU 54 HA GLU 54 -22.375 -1.915 -20.224 380 HB2 GLU 54 HB2 GLU 54 -20.954 0.549 -19.359 381 HB3 GLU 54 HB3 GLU 54 -22.415 0.115 -18.486 382 HG2 GLU 54 HG2 GLU 54 -21.200 -2.258 -18.464 383 HG3 GLU 54 HG3 GLU 54 -19.781 -1.217 -18.560 384 H LYS 55 H LYS 55 -22.565 1.409 -21.435 385 HA LYS 55 HA LYS 55 -25.197 1.971 -20.715 386 HB2 LYS 55 HB2 LYS 55 -23.623 2.914 -23.117 387 HB3 LYS 55 HB3 LYS 55 -25.148 3.614 -22.590 388 HG2 LYS 55 HG2 LYS 55 -22.931 3.446 -20.622 389 HG3 LYS 55 HG3 LYS 55 -22.829 4.657 -21.902 390 HD2 LYS 55 HD2 LYS 55 -25.378 5.022 -21.094 391 HD3 LYS 55 HD3 LYS 55 -24.642 4.493 -19.580 392 HE2 LYS 55 HE2 LYS 55 -23.371 6.361 -19.391 393 HE3 LYS 55 HE3 LYS 55 -23.151 6.518 -21.134 394 HZ1 LYS 55 HZ1 LYS 55 -24.842 7.992 -19.548 395 HZ2 LYS 55 HZ2 LYS 55 -25.863 6.943 -20.396 396 HZ3 LYS 55 HZ3 LYS 55 -24.811 7.964 -21.239 397 H ILE 56 H ILE 56 -23.934 0.503 -23.691 398 HA ILE 56 HA ILE 56 -26.400 0.231 -25.009 399 HB ILE 56 HB ILE 56 -23.924 -1.476 -25.284 400 HG12 ILE 56 HG12 ILE 56 -24.766 0.705 -27.165 401 HG13 ILE 56 HG13 ILE 56 -23.873 1.101 -25.701 402 HG21 ILE 56 HG21 ILE 56 -25.226 -2.772 -26.549 403 HG22 ILE 56 HG22 ILE 56 -26.538 -1.595 -26.548 404 HG23 ILE 56 HG23 ILE 56 -25.223 -1.446 -27.712 405 HD11 ILE 56 HD11 ILE 56 -22.818 -1.014 -27.508 406 HD12 ILE 56 HD12 ILE 56 -22.630 0.683 -27.954 407 HD13 ILE 56 HD13 ILE 56 -21.957 0.090 -26.435 408 H ILE 57 H ILE 57 -24.526 -2.208 -23.201 409 HA ILE 57 HA ILE 57 -26.330 -4.298 -23.343 410 HB ILE 57 HB ILE 57 -24.529 -3.614 -21.017 411 HG12 ILE 57 HG12 ILE 57 -23.351 -3.816 -23.184 412 HG13 ILE 57 HG13 ILE 57 -22.917 -5.107 -22.069 413 HG21 ILE 57 HG21 ILE 57 -26.038 -5.217 -20.215 414 HG22 ILE 57 HG22 ILE 57 -26.051 -6.097 -21.744 415 HG23 ILE 57 HG23 ILE 57 -24.623 -6.149 -20.709 416 HD11 ILE 57 HD11 ILE 57 -24.891 -5.347 -24.327 417 HD12 ILE 57 HD12 ILE 57 -23.222 -5.917 -24.351 418 HD13 ILE 57 HD13 ILE 57 -24.385 -6.638 -23.238 419 H ASP 58 H ASP 58 -26.203 -1.630 -21.023 420 HA ASP 58 HA ASP 58 -28.248 -2.531 -19.317 421 HB2 ASP 58 HB2 ASP 58 -26.923 0.079 -19.855 422 HB3 ASP 58 HB3 ASP 58 -28.463 0.116 -19.000 423 H LYS 59 H LYS 59 -28.404 -0.102 -21.925 424 HA LYS 59 HA LYS 59 -31.185 0.243 -21.853 425 HB2 LYS 59 HB2 LYS 59 -28.988 1.110 -23.493 426 HB3 LYS 59 HB3 LYS 59 -30.339 0.643 -24.518 427 HG2 LYS 59 HG2 LYS 59 -31.339 2.200 -22.356 428 HG3 LYS 59 HG3 LYS 59 -29.970 3.045 -23.081 429 HD2 LYS 59 HD2 LYS 59 -31.952 1.852 -24.932 430 HD3 LYS 59 HD3 LYS 59 -32.466 3.266 -24.011 431 HE2 LYS 59 HE2 LYS 59 -31.467 4.497 -25.578 432 HE3 LYS 59 HE3 LYS 59 -29.936 3.939 -24.906 433 HZ1 LYS 59 HZ1 LYS 59 -31.428 2.567 -27.076 434 HZ2 LYS 59 HZ2 LYS 59 -29.906 2.138 -26.476 435 HZ3 LYS 59 HZ3 LYS 59 -30.104 3.593 -27.316 436 H ALA 60 H ALA 60 -29.219 -2.240 -23.249 437 HA ALA 60 HA ALA 60 -31.145 -3.230 -25.104 438 HB1 ALA 60 HB1 ALA 60 -29.684 -5.120 -25.360 439 HB2 ALA 60 HB2 ALA 60 -28.707 -3.653 -25.276 440 HB3 ALA 60 HB3 ALA 60 -28.829 -4.713 -23.872 441 H LYS 61 H LYS 61 -30.087 -4.334 -21.887 442 HA LYS 61 HA LYS 61 -32.062 -6.388 -21.728 443 HB2 LYS 61 HB2 LYS 61 -31.341 -6.615 -19.398 444 HB3 LYS 61 HB3 LYS 61 -29.960 -6.537 -20.484 445 HG2 LYS 61 HG2 LYS 61 -29.707 -4.141 -19.916 446 HG3 LYS 61 HG3 LYS 61 -31.013 -4.318 -18.742 447 HD2 LYS 61 HD2 LYS 61 -29.219 -6.403 -18.206 448 HD3 LYS 61 HD3 LYS 61 -28.221 -4.974 -18.488 449 HE2 LYS 61 HE2 LYS 61 -30.234 -3.987 -16.916 450 HE3 LYS 61 HE3 LYS 61 -30.015 -5.613 -16.268 451 HZ1 LYS 61 HZ1 LYS 61 -28.558 -3.517 -15.519 452 HZ2 LYS 61 HZ2 LYS 61 -27.580 -4.114 -16.763 453 HZ3 LYS 61 HZ3 LYS 61 -27.993 -5.111 -15.460 454 H THR 62 H THR 62 -31.984 -3.013 -20.964 455 HA THR 62 HA THR 62 -34.231 -3.042 -19.182 456 HB THR 62 HB THR 62 -33.003 -0.722 -20.685 457 HG1 THR 62 HG1 THR 62 -31.833 -0.397 -18.803 458 HG21 THR 62 HG21 THR 62 -35.029 -0.875 -18.466 459 HG22 THR 62 HG22 THR 62 -35.156 -0.035 -20.011 460 HG23 THR 62 HG23 THR 62 -34.068 0.573 -18.764 461 H THR 63 H THR 63 -33.772 -2.816 -22.617 462 HA THR 63 HA THR 63 -36.566 -2.040 -23.030 463 HB THR 63 HB THR 63 -34.326 -2.348 -25.039 464 HG1 THR 63 HG1 THR 63 -34.782 0.060 -25.074 465 HG21 THR 63 HG21 THR 63 -36.465 -2.770 -26.088 466 HG22 THR 63 HG22 THR 63 -35.882 -1.179 -26.575 467 HG23 THR 63 HG23 THR 63 -37.147 -1.319 -25.354 468 H LEU 64 H LEU 64 -34.425 -4.752 -23.251 469 HA LEU 64 HA LEU 64 -34.704 -6.919 -23.896 470 HB2 LEU 64 HB2 LEU 64 -37.325 -6.081 -22.790 471 HB3 LEU 64 HB3 LEU 64 -37.258 -7.620 -23.645 472 HG LEU 64 HG LEU 64 -35.366 -7.007 -21.398 473 HD11 LEU 64 HD11 LEU 64 -38.103 -8.244 -21.140 474 HD12 LEU 64 HD12 LEU 64 -37.645 -6.642 -20.564 475 HD13 LEU 64 HD13 LEU 64 -36.902 -8.078 -19.858 476 HD21 LEU 64 HD21 LEU 64 -35.587 -9.546 -21.208 477 HD22 LEU 64 HD22 LEU 64 -34.695 -8.907 -22.589 478 HD23 LEU 64 HD23 LEU 64 -36.353 -9.474 -22.796 Start of MODEL 7 1 H1 ALA 1 H ALA 1 4.502 -1.588 -4.630 2 HA ALA 1 HA ALA 1 3.614 -2.349 -1.926 3 HB1 ALA 1 HB1 ALA 1 2.404 -0.362 -3.818 4 HB2 ALA 1 HB2 ALA 1 1.440 -1.149 -2.569 5 HB3 ALA 1 HB3 ALA 1 2.828 -0.159 -2.117 6 H LYS 2 H LYS 2 1.535 -3.526 -1.905 7 HA LYS 2 HA LYS 2 1.436 -5.400 -4.152 8 HB2 LYS 2 HB2 LYS 2 0.864 -5.556 -1.263 9 HB3 LYS 2 HB3 LYS 2 -0.249 -6.450 -2.291 10 HG2 LYS 2 HG2 LYS 2 1.513 -7.764 -3.194 11 HG3 LYS 2 HG3 LYS 2 2.740 -6.745 -2.438 12 HD2 LYS 2 HD2 LYS 2 2.733 -8.310 -0.825 13 HD3 LYS 2 HD3 LYS 2 1.261 -7.502 -0.281 14 HE2 LYS 2 HE2 LYS 2 -0.109 -9.068 -1.478 15 HE3 LYS 2 HE3 LYS 2 1.306 -9.797 -2.235 16 HZ1 LYS 2 HZ1 LYS 2 1.027 -11.256 -0.553 17 HZ2 LYS 2 HZ2 LYS 2 0.259 -10.142 0.461 18 HZ3 LYS 2 HZ3 LYS 2 1.943 -10.121 0.304 19 H ALA 3 H ALA 3 -0.517 -3.083 -2.399 20 HA ALA 3 HA ALA 3 -2.982 -3.783 -3.680 21 HB1 ALA 3 HB1 ALA 3 -2.085 -1.856 -1.683 22 HB2 ALA 3 HB2 ALA 3 -3.335 -1.226 -2.757 23 HB3 ALA 3 HB3 ALA 3 -3.626 -2.701 -1.834 24 H CYS 4 H CYS 4 -3.908 -2.947 -5.476 25 HA CYS 4 HA CYS 4 -2.244 -1.170 -7.108 26 HB2 CYS 4 HB2 CYS 4 -3.593 -1.933 -9.002 27 HB3 CYS 4 HB3 CYS 4 -2.917 -3.303 -8.126 28 H THR 5 H THR 5 -3.944 0.008 -8.783 29 HA THR 5 HA THR 5 -5.613 1.669 -7.015 30 HB THR 5 HB THR 5 -4.498 2.453 -9.712 31 HG1 THR 5 HG1 THR 5 -2.746 2.250 -8.359 32 HG21 THR 5 HG21 THR 5 -5.064 4.718 -9.015 33 HG22 THR 5 HG22 THR 5 -5.669 4.111 -7.473 34 HG23 THR 5 HG23 THR 5 -6.495 3.689 -8.973 35 HA PRO 6 HA PRO 6 -8.653 -0.542 -9.677 36 HB2 PRO 6 HB2 PRO 6 -10.549 -0.704 -7.740 37 HB3 PRO 6 HB3 PRO 6 -9.244 -1.884 -7.907 38 HG2 PRO 6 HG2 PRO 6 -9.461 0.447 -6.042 39 HG3 PRO 6 HG3 PRO 6 -8.891 -1.199 -5.713 40 HD2 PRO 6 HD2 PRO 6 -7.198 0.876 -6.117 41 HD3 PRO 6 HD3 PRO 6 -6.802 -0.787 -6.597 42 H LEU 7 H LEU 7 -11.214 0.022 -9.599 43 HA LEU 7 HA LEU 7 -11.410 2.663 -10.580 44 HB2 LEU 7 HB2 LEU 7 -12.860 0.514 -11.004 45 HB3 LEU 7 HB3 LEU 7 -13.820 1.159 -9.673 46 HG LEU 7 HG LEU 7 -13.982 3.302 -11.042 47 HD11 LEU 7 HD11 LEU 7 -12.798 1.435 -13.070 48 HD12 LEU 7 HD12 LEU 7 -12.305 3.077 -12.657 49 HD13 LEU 7 HD13 LEU 7 -13.808 2.802 -13.539 50 HD21 LEU 7 HD21 LEU 7 -15.570 1.094 -10.895 51 HD22 LEU 7 HD22 LEU 7 -15.350 1.260 -12.637 52 HD23 LEU 7 HD23 LEU 7 -16.007 2.602 -11.699 53 H LEU 8 H LEU 8 -12.310 4.506 -9.719 54 HA LEU 8 HA LEU 8 -12.942 6.016 -8.139 55 HB2 LEU 8 HB2 LEU 8 -13.810 3.734 -6.395 56 HB3 LEU 8 HB3 LEU 8 -14.448 5.376 -6.455 57 HG LEU 8 HG LEU 8 -14.810 3.279 -8.595 58 HD11 LEU 8 HD11 LEU 8 -17.197 3.389 -7.838 59 HD12 LEU 8 HD12 LEU 8 -16.638 4.287 -6.427 60 HD13 LEU 8 HD13 LEU 8 -16.084 2.635 -6.696 61 HD21 LEU 8 HD21 LEU 8 -14.913 6.034 -8.826 62 HD22 LEU 8 HD22 LEU 8 -16.598 5.564 -8.600 63 HD23 LEU 8 HD23 LEU 8 -15.656 4.862 -9.916 64 H HIS 9 H HIS 9 -10.326 5.511 -8.144 65 HA HIS 9 HA HIS 9 -9.624 5.784 -5.327 66 HB2 HIS 9 HB2 HIS 9 -8.717 3.588 -7.113 67 HB3 HIS 9 HB3 HIS 9 -7.511 4.307 -6.050 68 HD1 HIS 9 HD1 HIS 9 -7.417 3.383 -3.752 69 HD2 HIS 9 HD2 HIS 9 -11.062 2.612 -5.592 70 HE1 HIS 9 HE1 HIS 9 -8.681 1.912 -2.150 71 H ASP 10 H ASP 10 -7.340 6.556 -5.072 72 HA ASP 10 HA ASP 10 -6.907 8.816 -6.718 73 HB2 ASP 10 HB2 ASP 10 -5.119 7.491 -4.669 74 HB3 ASP 10 HB3 ASP 10 -4.778 9.044 -5.426 75 H CYS 11 H CYS 11 -6.221 8.720 -8.749 76 HA CYS 11 HA CYS 11 -4.152 6.739 -9.442 77 HB2 CYS 11 HB2 CYS 11 -5.023 6.631 -11.645 78 HB3 CYS 11 HB3 CYS 11 -6.422 6.561 -10.579 79 H SER 12 H SER 12 -4.349 9.810 -8.594 80 HA SER 12 HA SER 12 -3.287 11.408 -10.564 81 HB2 SER 12 HB2 SER 12 -2.018 11.886 -7.974 82 HB3 SER 12 HB3 SER 12 -3.095 12.925 -8.908 83 HG SER 12 HG SER 12 -3.652 11.416 -6.758 84 H HIS 13 H HIS 13 -1.510 9.356 -8.269 85 HA HIS 13 HA HIS 13 0.969 9.845 -9.733 86 HB2 HIS 13 HB2 HIS 13 0.285 8.731 -7.051 87 HB3 HIS 13 HB3 HIS 13 1.794 8.222 -7.803 88 HD1 HIS 13 HD1 HIS 13 2.379 9.653 -5.388 89 HD2 HIS 13 HD2 HIS 13 1.491 11.742 -8.868 90 HE1 HIS 13 HE1 HIS 13 3.337 11.953 -5.054 91 H ASP 14 H ASP 14 -1.409 8.122 -10.601 92 HA ASP 14 HA ASP 14 0.216 5.942 -11.622 93 HB2 ASP 14 HB2 ASP 14 -2.019 5.577 -9.684 94 HB3 ASP 14 HB3 ASP 14 -1.872 4.413 -10.998 95 H ARG 15 H ARG 15 -0.050 6.606 -13.700 96 HA ARG 15 HA ARG 15 -2.595 7.410 -14.747 97 HB2 ARG 15 HB2 ARG 15 -0.003 6.749 -16.157 98 HB3 ARG 15 HB3 ARG 15 -1.412 7.473 -16.920 99 HG2 ARG 15 HG2 ARG 15 -1.085 9.507 -15.917 100 HG3 ARG 15 HG3 ARG 15 -0.217 8.812 -14.546 101 HD2 ARG 15 HD2 ARG 15 0.948 8.687 -17.300 102 HD3 ARG 15 HD3 ARG 15 1.090 10.159 -16.339 103 HE ARG 15 HE ARG 15 2.512 7.701 -15.953 104 HH11 ARG 15 HH11 ARG 15 1.296 10.559 -14.381 105 HH12 ARG 15 HH12 ARG 15 2.455 10.502 -13.094 106 HH21 ARG 15 HH21 ARG 15 4.043 7.615 -14.264 107 HH22 ARG 15 HH22 ARG 15 4.017 8.828 -13.029 108 H HIS 16 H HIS 16 -0.460 4.870 -16.024 109 HA HIS 16 HA HIS 16 -2.845 3.287 -16.661 110 HB2 HIS 16 HB2 HIS 16 -0.098 3.476 -17.815 111 HB3 HIS 16 HB3 HIS 16 -0.968 1.952 -17.970 112 HD1 HIS 16 HD1 HIS 16 -0.438 3.166 -20.562 113 HD2 HIS 16 HD2 HIS 16 -3.714 4.342 -18.294 114 HE1 HIS 16 HE1 HIS 16 -2.050 4.197 -22.194 115 H SER 17 H SER 17 -1.645 3.455 -13.977 116 HA SER 17 HA SER 17 -0.533 0.774 -13.610 117 HB2 SER 17 HB2 SER 17 -0.552 3.286 -12.013 118 HB3 SER 17 HB3 SER 17 -0.503 1.764 -11.123 119 HG SER 17 HG SER 17 1.477 1.448 -11.776 120 H CYS 18 H CYS 18 -3.502 2.333 -13.534 121 HA CYS 18 HA CYS 18 -4.855 1.297 -11.368 122 HB2 CYS 18 HB2 CYS 18 -5.660 2.082 -14.131 123 HB3 CYS 18 HB3 CYS 18 -6.830 1.209 -13.148 124 H CYS 19 H CYS 19 -6.313 -0.515 -11.170 125 HA CYS 19 HA CYS 19 -5.113 -2.965 -11.929 126 HB2 CYS 19 HB2 CYS 19 -7.936 -2.617 -10.919 127 HB3 CYS 19 HB3 CYS 19 -6.898 -4.029 -10.752 128 H ARG 20 H ARG 20 -6.001 -4.652 -13.233 129 HA ARG 20 HA ARG 20 -7.134 -3.662 -15.688 130 HB2 ARG 20 HB2 ARG 20 -5.367 -5.365 -15.714 131 HB3 ARG 20 HB3 ARG 20 -6.419 -6.477 -14.849 132 HG2 ARG 20 HG2 ARG 20 -7.885 -6.672 -16.703 133 HG3 ARG 20 HG3 ARG 20 -7.098 -5.335 -17.544 134 HD2 ARG 20 HD2 ARG 20 -5.920 -6.921 -18.595 135 HD3 ARG 20 HD3 ARG 20 -5.013 -7.050 -17.089 136 HE ARG 20 HE ARG 20 -7.085 -8.732 -16.689 137 HH11 ARG 20 HH11 ARG 20 -4.779 -8.377 -19.272 138 HH12 ARG 20 HH12 ARG 20 -4.800 -10.057 -19.697 139 HH21 ARG 20 HH21 ARG 20 -7.121 -10.945 -17.237 140 HH22 ARG 20 HH22 ARG 20 -6.133 -11.517 -18.539 141 H GLY 21 H GLY 21 -9.068 -4.428 -16.674 142 HA2 GLY 21 HA2 GLY 21 -11.134 -5.086 -14.692 143 HA3 GLY 21 HA3 GLY 21 -11.417 -4.366 -16.270 144 H ASP 22 H ASP 22 -13.104 -6.152 -16.140 145 HA ASP 22 HA ASP 22 -12.192 -8.844 -16.542 146 HB2 ASP 22 HB2 ASP 22 -14.904 -7.541 -16.806 147 HB3 ASP 22 HB3 ASP 22 -14.627 -9.256 -17.097 148 H MET 23 H MET 23 -12.940 -6.126 -18.561 149 HA MET 23 HA MET 23 -12.543 -7.816 -20.943 150 HB2 MET 23 HB2 MET 23 -14.071 -5.212 -20.794 151 HB3 MET 23 HB3 MET 23 -13.903 -6.246 -22.206 152 HG2 MET 23 HG2 MET 23 -15.173 -7.215 -19.671 153 HG3 MET 23 HG3 MET 23 -16.085 -6.362 -20.914 154 HE1 MET 23 HE1 MET 23 -15.386 -10.648 -20.541 155 HE2 MET 23 HE2 MET 23 -15.308 -9.315 -19.389 156 HE3 MET 23 HE3 MET 23 -16.844 -9.739 -20.147 157 H PHE 24 H PHE 24 -12.074 -4.530 -19.659 158 HA PHE 24 HA PHE 24 -9.454 -4.445 -20.932 159 HB2 PHE 24 HB2 PHE 24 -11.396 -2.167 -21.319 160 HB3 PHE 24 HB3 PHE 24 -9.817 -2.378 -22.068 161 HD1 PHE 24 HD1 PHE 24 -13.308 -3.520 -22.043 162 HD2 PHE 24 HD2 PHE 24 -9.533 -3.749 -23.999 163 HE1 PHE 24 HE1 PHE 24 -14.375 -4.618 -23.970 164 HE2 PHE 24 HE2 PHE 24 -10.596 -4.846 -25.928 165 HZ PHE 24 HZ PHE 24 -13.020 -5.281 -25.916 166 H LYS 25 H LYS 25 -7.976 -3.181 -19.867 167 HA LYS 25 HA LYS 25 -8.265 -2.724 -17.160 168 HB2 LYS 25 HB2 LYS 25 -6.184 -1.616 -17.224 169 HB3 LYS 25 HB3 LYS 25 -6.125 -2.780 -18.541 170 HG2 LYS 25 HG2 LYS 25 -7.154 -0.468 -19.692 171 HG3 LYS 25 HG3 LYS 25 -5.879 0.092 -18.607 172 HD2 LYS 25 HD2 LYS 25 -4.234 -0.885 -19.821 173 HD3 LYS 25 HD3 LYS 25 -5.237 -2.268 -20.265 174 HE2 LYS 25 HE2 LYS 25 -5.767 -1.346 -22.221 175 HE3 LYS 25 HE3 LYS 25 -6.242 0.166 -21.447 176 HZ1 LYS 25 HZ1 LYS 25 -4.473 0.642 -22.926 177 HZ2 LYS 25 HZ2 LYS 25 -3.525 -0.625 -22.331 178 HZ3 LYS 25 HZ3 LYS 25 -3.829 0.729 -21.363 179 H TYR 26 H TYR 26 -8.132 -0.611 -16.003 180 HA TYR 26 HA TYR 26 -10.246 1.131 -16.980 181 HB2 TYR 26 HB2 TYR 26 -8.763 1.171 -14.344 182 HB3 TYR 26 HB3 TYR 26 -10.200 2.108 -14.736 183 HD1 TYR 26 HD1 TYR 26 -12.018 0.281 -15.954 184 HD2 TYR 26 HD2 TYR 26 -9.278 -0.443 -12.781 185 HE1 TYR 26 HE1 TYR 26 -13.440 -1.558 -15.153 186 HE2 TYR 26 HE2 TYR 26 -10.691 -2.286 -11.972 187 HH TYR 26 HH TYR 26 -12.948 -3.069 -12.104 188 H VAL 27 H VAL 27 -10.005 3.498 -16.780 189 HA VAL 27 HA VAL 27 -7.280 4.341 -17.529 190 HB VAL 27 HB VAL 27 -8.613 4.664 -19.441 191 HG11 VAL 27 HG11 VAL 27 -10.717 5.205 -17.485 192 HG12 VAL 27 HG12 VAL 27 -10.758 6.269 -18.893 193 HG13 VAL 27 HG13 VAL 27 -10.823 4.518 -19.105 194 HG21 VAL 27 HG21 VAL 27 -8.485 6.979 -19.818 195 HG22 VAL 27 HG22 VAL 27 -8.797 7.359 -18.124 196 HG23 VAL 27 HG23 VAL 27 -7.253 6.652 -18.599 197 H CYS 28 H CYS 28 -6.503 6.321 -16.757 198 HA CYS 28 HA CYS 28 -7.723 7.165 -14.244 199 HB2 CYS 28 HB2 CYS 28 -5.378 6.667 -14.103 200 HB3 CYS 28 HB3 CYS 28 -5.021 7.707 -15.478 201 H ASP 29 H ASP 29 -8.909 8.942 -14.090 202 HA ASP 29 HA ASP 29 -8.753 10.924 -16.259 203 HB2 ASP 29 HB2 ASP 29 -10.989 9.952 -14.532 204 HB3 ASP 29 HB3 ASP 29 -11.047 11.606 -15.135 205 H CYS 30 H CYS 30 -8.031 12.905 -15.831 206 HA CYS 30 HA CYS 30 -7.678 13.667 -13.009 207 HB2 CYS 30 HB2 CYS 30 -6.111 14.332 -15.492 208 HB3 CYS 30 HB3 CYS 30 -5.975 15.310 -14.035 209 H PHE 31 H PHE 31 -8.368 15.642 -12.282 210 HA PHE 31 HA PHE 31 -9.579 17.508 -14.166 211 HB2 PHE 31 HB2 PHE 31 -11.083 16.236 -11.873 212 HB3 PHE 31 HB3 PHE 31 -11.645 17.653 -12.756 213 HD1 PHE 31 HD2 PHE 31 -11.967 17.404 -15.285 214 HD2 PHE 31 HD1 PHE 31 -11.601 14.104 -12.621 215 HE1 PHE 31 HE2 PHE 31 -13.034 15.943 -16.954 216 HE2 PHE 31 HE1 PHE 31 -12.665 12.638 -14.285 217 HZ PHE 31 HZ PHE 31 -13.383 13.556 -16.455 218 H TYR 32 H TYR 32 -10.424 19.491 -12.889 219 HA TYR 32 HA TYR 32 -8.847 20.022 -10.491 220 HB2 TYR 32 HB2 TYR 32 -8.790 22.046 -12.705 221 HB3 TYR 32 HB3 TYR 32 -7.703 21.875 -11.332 222 HD1 TYR 32 HD1 TYR 32 -8.566 20.563 -14.661 223 HD2 TYR 32 HD2 TYR 32 -5.807 20.406 -11.426 224 HE1 TYR 32 HE1 TYR 32 -6.987 19.316 -16.076 225 HE2 TYR 32 HE2 TYR 32 -4.220 19.160 -12.831 226 HH TYR 32 HH TYR 32 -4.858 17.536 -15.329 227 HA PRO 33 HA PRO 33 -12.407 22.238 -9.196 228 HB2 PRO 33 HB2 PRO 33 -11.294 24.119 -7.585 229 HB3 PRO 33 HB3 PRO 33 -11.400 22.413 -7.138 230 HG2 PRO 33 HG2 PRO 33 -9.078 23.936 -8.256 231 HG3 PRO 33 HG3 PRO 33 -9.106 22.738 -6.948 232 HD2 PRO 33 HD2 PRO 33 -8.319 22.129 -9.467 233 HD3 PRO 33 HD3 PRO 33 -9.134 20.957 -8.411 234 H GLU 34 H GLU 34 -12.553 23.015 -11.535 235 HA GLU 34 HA GLU 34 -12.948 24.676 -13.040 236 HB2 GLU 34 HB2 GLU 34 -13.190 26.223 -10.462 237 HB3 GLU 34 HB3 GLU 34 -13.539 26.929 -12.034 238 HG2 GLU 34 HG2 GLU 34 -15.625 26.248 -11.676 239 HG3 GLU 34 HG3 GLU 34 -15.027 24.644 -12.097 240 H GLY 35 H GLY 35 -10.162 24.126 -12.089 241 HA2 GLY 35 HA2 GLY 35 -8.785 25.955 -13.671 242 HA3 GLY 35 HA3 GLY 35 -8.705 26.555 -12.021 243 H GLU 36 H GLU 36 -6.916 25.028 -14.172 244 HA GLU 36 HA GLU 36 -5.968 22.781 -12.657 245 HB2 GLU 36 HB2 GLU 36 -4.421 22.431 -14.420 246 HB3 GLU 36 HB3 GLU 36 -5.906 22.986 -15.179 247 HG2 GLU 36 HG2 GLU 36 -4.912 25.289 -15.211 248 HG3 GLU 36 HG3 GLU 36 -3.392 24.559 -14.696 249 H ASP 37 H ASP 37 -5.580 26.049 -12.306 250 HA ASP 37 HA ASP 37 -2.824 25.894 -11.342 251 HB2 ASP 37 HB2 ASP 37 -4.594 28.035 -12.292 252 HB3 ASP 37 HB3 ASP 37 -3.645 28.472 -10.873 253 H LYS 38 H LYS 38 -5.185 24.646 -9.994 254 HA LYS 38 HA LYS 38 -4.876 25.980 -7.384 255 HB2 LYS 38 HB2 LYS 38 -7.316 24.774 -8.659 256 HB3 LYS 38 HB3 LYS 38 -7.185 24.905 -6.910 257 HG2 LYS 38 HG2 LYS 38 -7.375 27.174 -6.923 258 HG3 LYS 38 HG3 LYS 38 -6.661 27.337 -8.530 259 HD2 LYS 38 HD2 LYS 38 -8.663 26.725 -9.598 260 HD3 LYS 38 HD3 LYS 38 -9.353 26.067 -8.112 261 HE2 LYS 38 HE2 LYS 38 -8.612 28.932 -8.088 262 HE3 LYS 38 HE3 LYS 38 -9.994 28.479 -9.085 263 HZ1 LYS 38 HZ1 LYS 38 -9.725 27.714 -6.233 264 HZ2 LYS 38 HZ2 LYS 38 -11.099 27.577 -7.211 265 HZ3 LYS 38 HZ3 LYS 38 -10.538 29.105 -6.749 266 H THR 39 H THR 39 -6.326 22.902 -8.412 267 HA THR 39 HA THR 39 -4.201 21.395 -7.129 268 HB THR 39 HB THR 39 -6.987 20.777 -6.209 269 HG1 THR 39 HG1 THR 39 -5.298 22.385 -4.631 270 HG21 THR 39 HG21 THR 39 -4.197 20.117 -5.399 271 HG22 THR 39 HG22 THR 39 -5.611 19.071 -5.530 272 HG23 THR 39 HG23 THR 39 -5.446 20.161 -4.155 273 H GLU 40 H GLU 40 -3.861 19.501 -8.130 274 HA GLU 40 HA GLU 40 -5.670 18.766 -10.294 275 HB2 GLU 40 HB2 GLU 40 -3.073 17.394 -9.655 276 HB3 GLU 40 HB3 GLU 40 -3.898 17.514 -11.203 277 HG2 GLU 40 HG2 GLU 40 -2.247 19.024 -11.550 278 HG3 GLU 40 HG3 GLU 40 -3.456 20.090 -10.837 279 H VAL 41 H VAL 41 -7.291 17.449 -9.801 280 HA VAL 41 HA VAL 41 -6.807 15.282 -7.862 281 HB VAL 41 HB VAL 41 -9.503 16.383 -8.651 282 HG11 VAL 41 HG11 VAL 41 -8.587 14.627 -6.376 283 HG12 VAL 41 HG12 VAL 41 -10.217 15.277 -6.558 284 HG13 VAL 41 HG13 VAL 41 -9.580 14.144 -7.751 285 HG21 VAL 41 HG21 VAL 41 -9.366 17.427 -6.306 286 HG22 VAL 41 HG22 VAL 41 -7.621 17.223 -6.470 287 HG23 VAL 41 HG23 VAL 41 -8.502 18.226 -7.621 288 H CYS 42 H CYS 42 -6.528 13.374 -8.793 289 HA CYS 42 HA CYS 42 -8.028 12.774 -11.258 290 HB2 CYS 42 HB2 CYS 42 -5.436 11.476 -10.413 291 HB3 CYS 42 HB3 CYS 42 -6.229 11.375 -11.981 292 H SER 43 H SER 43 -8.841 10.647 -11.524 293 HA SER 43 HA SER 43 -8.787 8.851 -9.241 294 HB2 SER 43 HB2 SER 43 -11.401 8.726 -9.479 295 HB3 SER 43 HB3 SER 43 -10.666 9.983 -8.483 296 HG SER 43 HG SER 43 -12.350 10.487 -10.252 297 H CYS 44 H CYS 44 -9.297 6.726 -9.751 298 HA CYS 44 HA CYS 44 -8.919 5.985 -12.473 299 HB2 CYS 44 HB2 CYS 44 -8.365 4.724 -10.207 300 HB3 CYS 44 HB3 CYS 44 -9.961 4.029 -10.471 301 H GLN 45 H GLN 45 -10.358 5.521 -14.019 302 HA GLN 45 HA GLN 45 -13.132 4.959 -13.299 303 HB2 GLN 45 HB2 GLN 45 -12.219 7.254 -15.020 304 HB3 GLN 45 HB3 GLN 45 -13.834 6.573 -15.167 305 HG2 GLN 45 HG2 GLN 45 -13.390 7.047 -12.426 306 HG3 GLN 45 HG3 GLN 45 -12.849 8.481 -13.297 307 HE21 GLN 45 HE21 GLN 45 -15.386 7.253 -11.746 308 HE22 GLN 45 HE22 GLN 45 -16.683 8.016 -12.594 309 H GLN 46 H GLN 46 -14.393 4.596 -15.504 310 HA GLN 46 HA GLN 46 -12.825 2.594 -16.943 311 HB2 GLN 46 HB2 GLN 46 -15.782 3.118 -16.701 312 HB3 GLN 46 HB3 GLN 46 -15.128 1.991 -17.882 313 HG2 GLN 46 HG2 GLN 46 -14.059 0.749 -16.015 314 HG3 GLN 46 HG3 GLN 46 -14.894 1.817 -14.890 315 HE21 GLN 46 HE21 GLN 46 -15.401 -0.714 -14.517 316 HE22 GLN 46 HE22 GLN 46 -16.951 -1.175 -15.125 317 HA PRO 47 HA PRO 47 -12.409 5.031 -20.577 318 HB2 PRO 47 HB2 PRO 47 -12.217 3.057 -22.431 319 HB3 PRO 47 HB3 PRO 47 -10.916 3.441 -21.299 320 HG2 PRO 47 HG2 PRO 47 -12.965 1.265 -21.161 321 HG3 PRO 47 HG3 PRO 47 -11.229 1.190 -20.808 322 HD2 PRO 47 HD2 PRO 47 -13.104 1.374 -18.863 323 HD3 PRO 47 HD3 PRO 47 -11.491 2.096 -18.704 324 H LYS 48 H LYS 48 -13.399 5.417 -22.711 325 HA LYS 48 HA LYS 48 -16.160 5.651 -22.598 326 HB2 LYS 48 HB2 LYS 48 -14.129 6.393 -24.376 327 HB3 LYS 48 HB3 LYS 48 -15.245 5.431 -25.337 328 HG2 LYS 48 HG2 LYS 48 -16.003 7.622 -25.570 329 HG3 LYS 48 HG3 LYS 48 -17.085 6.908 -24.372 330 HD2 LYS 48 HD2 LYS 48 -14.858 7.995 -22.991 331 HD3 LYS 48 HD3 LYS 48 -15.433 9.215 -24.131 332 HE2 LYS 48 HE2 LYS 48 -17.548 7.818 -22.650 333 HE3 LYS 48 HE3 LYS 48 -16.469 8.788 -21.650 334 HZ1 LYS 48 HZ1 LYS 48 -17.938 10.384 -22.230 335 HZ2 LYS 48 HZ2 LYS 48 -18.383 9.634 -23.678 336 HZ3 LYS 48 HZ3 LYS 48 -16.938 10.510 -23.588 337 H SER 49 H SER 49 -14.192 2.990 -23.662 338 HA SER 49 HA SER 49 -16.187 1.614 -25.140 339 HB2 SER 49 HB2 SER 49 -13.928 0.220 -23.729 340 HB3 SER 49 HB3 SER 49 -14.659 -0.156 -25.289 341 HG SER 49 HG SER 49 -12.728 1.740 -24.630 342 H HIS 50 H HIS 50 -14.867 1.002 -21.883 343 HA HIS 50 HA HIS 50 -16.680 -0.991 -21.156 344 HB2 HIS 50 HB2 HIS 50 -14.633 0.567 -19.869 345 HB3 HIS 50 HB3 HIS 50 -16.035 0.446 -18.810 346 HD1 HIS 50 HD1 HIS 50 -16.429 -1.759 -17.657 347 HD2 HIS 50 HD2 HIS 50 -13.471 -1.967 -20.568 348 HE1 HIS 50 HE1 HIS 50 -15.366 -4.021 -17.376 349 H LYS 51 H LYS 51 -16.901 2.515 -20.916 350 HA LYS 51 HA LYS 51 -19.239 2.619 -19.336 351 HB2 LYS 51 HB2 LYS 51 -18.033 4.583 -21.285 352 HB3 LYS 51 HB3 LYS 51 -19.455 4.945 -20.316 353 HG2 LYS 51 HG2 LYS 51 -16.731 4.235 -19.246 354 HG3 LYS 51 HG3 LYS 51 -17.432 5.854 -19.312 355 HD2 LYS 51 HD2 LYS 51 -19.384 4.693 -17.973 356 HD3 LYS 51 HD3 LYS 51 -18.107 3.555 -17.540 357 HE2 LYS 51 HE2 LYS 51 -16.976 5.088 -16.296 358 HE3 LYS 51 HE3 LYS 51 -17.484 6.443 -17.305 359 HZ1 LYS 51 HZ1 LYS 51 -19.421 5.034 -15.581 360 HZ2 LYS 51 HZ2 LYS 51 -19.505 6.601 -16.210 361 HZ3 LYS 51 HZ3 LYS 51 -18.432 6.253 -14.950 362 H ILE 52 H ILE 52 -18.885 3.223 -22.838 363 HA ILE 52 HA ILE 52 -21.595 3.286 -23.452 364 HB ILE 52 HB ILE 52 -19.330 2.335 -25.210 365 HG12 ILE 52 HG12 ILE 52 -20.607 5.051 -25.301 366 HG13 ILE 52 HG13 ILE 52 -19.330 4.714 -24.137 367 HG21 ILE 52 HG21 ILE 52 -21.252 1.613 -26.301 368 HG22 ILE 52 HG22 ILE 52 -22.192 3.008 -25.776 369 HG23 ILE 52 HG23 ILE 52 -20.954 3.196 -27.018 370 HD11 ILE 52 HD11 ILE 52 -18.086 3.836 -26.287 371 HD12 ILE 52 HD12 ILE 52 -19.198 4.948 -27.087 372 HD13 ILE 52 HD13 ILE 52 -18.093 5.544 -25.849 373 H ALA 53 H ALA 53 -19.350 0.527 -23.655 374 HA ALA 53 HA ALA 53 -21.128 -1.396 -24.559 375 HB1 ALA 53 HB1 ALA 53 -19.538 -2.974 -24.002 376 HB2 ALA 53 HB2 ALA 53 -18.566 -1.506 -24.126 377 HB3 ALA 53 HB3 ALA 53 -19.045 -2.116 -22.541 378 H GLU 54 H GLU 54 -20.305 -0.592 -21.186 379 HA GLU 54 HA GLU 54 -22.004 -2.426 -19.949 380 HB2 GLU 54 HB2 GLU 54 -20.786 0.176 -19.115 381 HB3 GLU 54 HB3 GLU 54 -21.997 -0.570 -18.082 382 HG2 GLU 54 HG2 GLU 54 -20.164 -2.590 -18.791 383 HG3 GLU 54 HG3 GLU 54 -19.225 -1.172 -18.324 384 H LYS 55 H LYS 55 -22.618 0.862 -21.082 385 HA LYS 55 HA LYS 55 -25.195 1.165 -20.009 386 HB2 LYS 55 HB2 LYS 55 -23.484 2.574 -21.858 387 HB3 LYS 55 HB3 LYS 55 -25.141 2.562 -22.449 388 HG2 LYS 55 HG2 LYS 55 -24.887 4.524 -21.158 389 HG3 LYS 55 HG3 LYS 55 -25.845 3.402 -20.189 390 HD2 LYS 55 HD2 LYS 55 -24.320 3.392 -18.563 391 HD3 LYS 55 HD3 LYS 55 -23.017 3.055 -19.705 392 HE2 LYS 55 HE2 LYS 55 -22.305 5.098 -19.062 393 HE3 LYS 55 HE3 LYS 55 -23.469 5.644 -20.269 394 HZ1 LYS 55 HZ1 LYS 55 -23.678 5.677 -17.339 395 HZ2 LYS 55 HZ2 LYS 55 -25.092 5.562 -18.260 396 HZ3 LYS 55 HZ3 LYS 55 -24.061 6.888 -18.457 397 H ILE 56 H ILE 56 -24.119 -0.046 -23.167 398 HA ILE 56 HA ILE 56 -26.668 -0.466 -24.267 399 HB ILE 56 HB ILE 56 -24.117 -1.977 -24.844 400 HG12 ILE 56 HG12 ILE 56 -25.284 0.301 -26.434 401 HG13 ILE 56 HG13 ILE 56 -24.154 0.579 -25.112 402 HG21 ILE 56 HG21 ILE 56 -25.290 -2.258 -27.107 403 HG22 ILE 56 HG22 ILE 56 -25.826 -3.269 -25.766 404 HG23 ILE 56 HG23 ILE 56 -26.770 -1.854 -26.235 405 HD11 ILE 56 HD11 ILE 56 -22.584 -0.995 -26.328 406 HD12 ILE 56 HD12 ILE 56 -23.674 -0.842 -27.706 407 HD13 ILE 56 HD13 ILE 56 -22.861 0.584 -27.061 408 H ILE 57 H ILE 57 -24.454 -2.820 -22.753 409 HA ILE 57 HA ILE 57 -26.143 -5.025 -22.823 410 HB ILE 57 HB ILE 57 -24.096 -4.358 -20.705 411 HG12 ILE 57 HG12 ILE 57 -23.140 -4.353 -22.956 412 HG13 ILE 57 HG13 ILE 57 -22.584 -5.759 -22.054 413 HG21 ILE 57 HG21 ILE 57 -24.072 -7.019 -20.796 414 HG22 ILE 57 HG22 ILE 57 -25.137 -6.118 -19.719 415 HG23 ILE 57 HG23 ILE 57 -25.756 -6.749 -21.245 416 HD11 ILE 57 HD11 ILE 57 -23.997 -5.627 -24.547 417 HD12 ILE 57 HD12 ILE 57 -23.217 -7.004 -23.767 418 HD13 ILE 57 HD13 ILE 57 -24.889 -6.599 -23.376 419 H ASP 58 H ASP 58 -25.826 -2.514 -20.342 420 HA ASP 58 HA ASP 58 -27.626 -3.636 -18.490 421 HB2 ASP 58 HB2 ASP 58 -26.439 -0.940 -18.938 422 HB3 ASP 58 HB3 ASP 58 -27.852 -1.046 -17.892 423 H LYS 59 H LYS 59 -28.105 -1.203 -21.035 424 HA LYS 59 HA LYS 59 -30.827 -0.731 -20.566 425 HB2 LYS 59 HB2 LYS 59 -28.915 -0.227 -22.750 426 HB3 LYS 59 HB3 LYS 59 -30.596 -0.329 -23.253 427 HG2 LYS 59 HG2 LYS 59 -30.088 1.341 -20.886 428 HG3 LYS 59 HG3 LYS 59 -29.403 1.931 -22.403 429 HD2 LYS 59 HD2 LYS 59 -31.406 2.699 -22.982 430 HD3 LYS 59 HD3 LYS 59 -32.028 1.047 -22.963 431 HE2 LYS 59 HE2 LYS 59 -32.658 1.235 -20.669 432 HE3 LYS 59 HE3 LYS 59 -31.818 2.777 -20.506 433 HZ1 LYS 59 HZ1 LYS 59 -34.452 2.226 -21.511 434 HZ2 LYS 59 HZ2 LYS 59 -33.553 3.223 -22.538 435 HZ3 LYS 59 HZ3 LYS 59 -33.800 3.674 -20.927 436 H ALA 60 H ALA 60 -29.209 -3.075 -22.672 437 HA ALA 60 HA ALA 60 -31.563 -4.129 -23.832 438 HB1 ALA 60 HB1 ALA 60 -30.191 -5.868 -24.694 439 HB2 ALA 60 HB2 ALA 60 -29.226 -4.392 -24.712 440 HB3 ALA 60 HB3 ALA 60 -28.964 -5.601 -23.455 441 H LYS 61 H LYS 61 -29.447 -5.523 -21.315 442 HA LYS 61 HA LYS 61 -31.039 -7.692 -20.647 443 HB2 LYS 61 HB2 LYS 61 -28.648 -6.996 -19.853 444 HB3 LYS 61 HB3 LYS 61 -29.508 -6.216 -18.533 445 HG2 LYS 61 HG2 LYS 61 -28.974 -8.292 -17.664 446 HG3 LYS 61 HG3 LYS 61 -30.641 -8.504 -18.204 447 HD2 LYS 61 HD2 LYS 61 -29.255 -9.185 -20.446 448 HD3 LYS 61 HD3 LYS 61 -28.165 -9.746 -19.176 449 HE2 LYS 61 HE2 LYS 61 -30.511 -10.658 -18.222 450 HE3 LYS 61 HE3 LYS 61 -30.845 -10.714 -19.952 451 HZ1 LYS 61 HZ1 LYS 61 -28.774 -12.160 -18.428 452 HZ2 LYS 61 HZ2 LYS 61 -28.603 -11.910 -20.092 453 HZ3 LYS 61 HZ3 LYS 61 -29.929 -12.777 -19.498 454 H THR 62 H THR 62 -30.964 -4.489 -19.087 455 HA THR 62 HA THR 62 -32.520 -3.346 -17.882 456 HB THR 62 HB THR 62 -34.696 -5.190 -18.798 457 HG1 THR 62 HG1 THR 62 -34.436 -4.631 -20.833 458 HG21 THR 62 HG21 THR 62 -35.813 -3.531 -17.771 459 HG22 THR 62 HG22 THR 62 -35.466 -2.595 -19.225 460 HG23 THR 62 HG23 THR 62 -34.423 -2.447 -17.812 461 H THR 63 H THR 63 -31.340 -6.053 -17.002 462 HA THR 63 HA THR 63 -33.310 -6.822 -14.980 463 HB THR 63 HB THR 63 -30.660 -8.099 -15.685 464 HG1 THR 63 HG1 THR 63 -31.856 -9.519 -16.851 465 HG21 THR 63 HG21 THR 63 -32.799 -8.802 -13.694 466 HG22 THR 63 HG22 THR 63 -31.056 -8.680 -13.448 467 HG23 THR 63 HG23 THR 63 -31.725 -10.029 -14.365 468 H LEU 64 H LEU 64 -30.129 -5.382 -15.312 469 HA LEU 64 HA LEU 64 -29.835 -5.200 -12.410 470 HB2 LEU 64 HB2 LEU 64 -27.996 -4.676 -14.722 471 HB3 LEU 64 HB3 LEU 64 -27.607 -4.130 -13.092 472 HG LEU 64 HG LEU 64 -28.257 -7.007 -13.514 473 HD11 LEU 64 HD11 LEU 64 -25.456 -6.058 -13.921 474 HD12 LEU 64 HD12 LEU 64 -26.575 -6.110 -15.283 475 HD13 LEU 64 HD13 LEU 64 -26.205 -7.584 -14.389 476 HD21 LEU 64 HD21 LEU 64 -27.435 -7.199 -11.456 477 HD22 LEU 64 HD22 LEU 64 -27.425 -5.437 -11.382 478 HD23 LEU 64 HD23 LEU 64 -25.973 -6.308 -11.881 Start of MODEL 8 1 H1 ALA 1 H ALA 1 3.421 -9.591 -2.568 2 HA ALA 1 HA ALA 1 1.741 -9.782 -4.985 3 HB1 ALA 1 HB1 ALA 1 0.005 -8.812 -3.178 4 HB2 ALA 1 HB2 ALA 1 0.218 -10.534 -3.497 5 HB3 ALA 1 HB3 ALA 1 1.030 -9.785 -2.122 6 H LYS 2 H LYS 2 0.279 -7.732 -5.133 7 HA LYS 2 HA LYS 2 1.637 -5.304 -4.281 8 HB2 LYS 2 HB2 LYS 2 1.855 -6.386 -6.956 9 HB3 LYS 2 HB3 LYS 2 1.073 -4.811 -6.982 10 HG2 LYS 2 HG2 LYS 2 3.133 -3.974 -6.997 11 HG3 LYS 2 HG3 LYS 2 3.183 -4.397 -5.284 12 HD2 LYS 2 HD2 LYS 2 3.870 -6.762 -6.369 13 HD3 LYS 2 HD3 LYS 2 4.510 -5.668 -7.598 14 HE2 LYS 2 HE2 LYS 2 6.258 -5.222 -6.306 15 HE3 LYS 2 HE3 LYS 2 5.186 -4.634 -5.037 16 HZ1 LYS 2 HZ1 LYS 2 6.786 -6.864 -4.935 17 HZ2 LYS 2 HZ2 LYS 2 5.220 -7.476 -5.120 18 HZ3 LYS 2 HZ3 LYS 2 5.576 -6.438 -3.832 19 H ALA 3 H ALA 3 0.284 -3.577 -4.058 20 HA ALA 3 HA ALA 3 -2.524 -4.102 -4.048 21 HB1 ALA 3 HB1 ALA 3 -2.581 -2.403 -2.616 22 HB2 ALA 3 HB2 ALA 3 -0.827 -2.300 -2.779 23 HB3 ALA 3 HB3 ALA 3 -1.868 -1.302 -3.795 24 H CYS 4 H CYS 4 -4.034 -3.622 -5.524 25 HA CYS 4 HA CYS 4 -3.148 -2.358 -8.013 26 HB2 CYS 4 HB2 CYS 4 -5.226 -4.340 -7.289 27 HB3 CYS 4 HB3 CYS 4 -5.640 -3.221 -8.583 28 H THR 5 H THR 5 -4.704 -0.915 -9.127 29 HA THR 5 HA THR 5 -6.177 0.752 -7.191 30 HB THR 5 HB THR 5 -4.657 1.665 -9.641 31 HG1 THR 5 HG1 THR 5 -4.187 2.520 -6.993 32 HG21 THR 5 HG21 THR 5 -5.468 3.804 -7.939 33 HG22 THR 5 HG22 THR 5 -6.888 2.841 -8.349 34 HG23 THR 5 HG23 THR 5 -5.885 3.521 -9.629 35 HA PRO 6 HA PRO 6 -9.240 -0.763 -10.285 36 HB2 PRO 6 HB2 PRO 6 -11.254 -1.016 -8.482 37 HB3 PRO 6 HB3 PRO 6 -10.051 -2.282 -8.763 38 HG2 PRO 6 HG2 PRO 6 -10.171 -0.231 -6.585 39 HG3 PRO 6 HG3 PRO 6 -9.771 -1.955 -6.477 40 HD2 PRO 6 HD2 PRO 6 -7.878 -0.019 -6.491 41 HD3 PRO 6 HD3 PRO 6 -7.605 -1.627 -7.194 42 H LEU 7 H LEU 7 -11.758 0.025 -10.195 43 HA LEU 7 HA LEU 7 -11.694 2.743 -10.881 44 HB2 LEU 7 HB2 LEU 7 -13.394 0.795 -11.414 45 HB3 LEU 7 HB3 LEU 7 -14.250 1.477 -10.032 46 HG LEU 7 HG LEU 7 -14.121 3.705 -11.291 47 HD11 LEU 7 HD11 LEU 7 -14.113 3.287 -13.811 48 HD12 LEU 7 HD12 LEU 7 -13.295 1.772 -13.430 49 HD13 LEU 7 HD13 LEU 7 -12.556 3.309 -12.982 50 HD21 LEU 7 HD21 LEU 7 -16.263 2.988 -11.224 51 HD22 LEU 7 HD22 LEU 7 -15.856 1.369 -11.790 52 HD23 LEU 7 HD23 LEU 7 -15.981 2.699 -12.941 53 H LEU 8 H LEU 8 -12.501 4.584 -9.861 54 HA LEU 8 HA LEU 8 -12.938 6.004 -8.140 55 HB2 LEU 8 HB2 LEU 8 -13.875 3.626 -6.559 56 HB3 LEU 8 HB3 LEU 8 -14.367 5.311 -6.388 57 HG LEU 8 HG LEU 8 -15.087 3.442 -8.646 58 HD11 LEU 8 HD11 LEU 8 -16.348 4.186 -6.125 59 HD12 LEU 8 HD12 LEU 8 -16.680 2.834 -7.207 60 HD13 LEU 8 HD13 LEU 8 -17.390 4.416 -7.529 61 HD21 LEU 8 HD21 LEU 8 -15.761 6.350 -8.221 62 HD22 LEU 8 HD22 LEU 8 -16.499 5.306 -9.435 63 HD23 LEU 8 HD23 LEU 8 -14.775 5.673 -9.517 64 H HIS 9 H HIS 9 -10.389 5.518 -8.289 65 HA HIS 9 HA HIS 9 -9.533 5.381 -5.505 66 HB2 HIS 9 HB2 HIS 9 -8.741 3.467 -7.637 67 HB3 HIS 9 HB3 HIS 9 -7.472 4.027 -6.552 68 HD1 HIS 9 HD1 HIS 9 -7.250 2.770 -4.427 69 HD2 HIS 9 HD2 HIS 9 -11.009 2.290 -6.133 70 HE1 HIS 9 HE1 HIS 9 -8.435 1.085 -2.983 71 H ASP 10 H ASP 10 -7.191 6.062 -5.300 72 HA ASP 10 HA ASP 10 -6.839 8.514 -6.747 73 HB2 ASP 10 HB2 ASP 10 -5.203 7.113 -4.632 74 HB3 ASP 10 HB3 ASP 10 -4.699 8.631 -5.371 75 H CYS 11 H CYS 11 -5.856 8.732 -8.635 76 HA CYS 11 HA CYS 11 -3.689 6.868 -9.331 77 HB2 CYS 11 HB2 CYS 11 -4.484 6.656 -11.575 78 HB3 CYS 11 HB3 CYS 11 -5.848 6.321 -10.512 79 H SER 12 H SER 12 -4.392 9.931 -8.616 80 HA SER 12 HA SER 12 -3.312 11.480 -10.687 81 HB2 SER 12 HB2 SER 12 -4.604 12.335 -8.697 82 HB3 SER 12 HB3 SER 12 -3.142 12.116 -7.735 83 HG SER 12 HG SER 12 -2.315 13.849 -8.605 84 H HIS 13 H HIS 13 -1.807 9.478 -8.310 85 HA HIS 13 HA HIS 13 0.797 10.687 -8.529 86 HB2 HIS 13 HB2 HIS 13 -0.268 8.213 -7.191 87 HB3 HIS 13 HB3 HIS 13 1.465 8.503 -7.310 88 HD1 HIS 13 HD1 HIS 13 2.464 10.340 -5.825 89 HD2 HIS 13 HD2 HIS 13 -1.653 9.935 -5.443 90 HE1 HIS 13 HE1 HIS 13 1.843 11.687 -3.795 91 H ASP 14 H ASP 14 -1.011 8.375 -10.285 92 HA ASP 14 HA ASP 14 1.041 8.095 -12.245 93 HB2 ASP 14 HB2 ASP 14 0.686 5.973 -10.213 94 HB3 ASP 14 HB3 ASP 14 0.769 5.424 -11.885 95 H ARG 15 H ARG 15 0.035 7.981 -14.136 96 HA ARG 15 HA ARG 15 -2.792 7.467 -14.253 97 HB2 ARG 15 HB2 ARG 15 -0.824 7.979 -16.491 98 HB3 ARG 15 HB3 ARG 15 -2.577 8.010 -16.631 99 HG2 ARG 15 HG2 ARG 15 -2.735 9.951 -15.269 100 HG3 ARG 15 HG3 ARG 15 -1.032 9.844 -14.818 101 HD2 ARG 15 HD2 ARG 15 -0.337 10.814 -16.726 102 HD3 ARG 15 HD3 ARG 15 -1.533 9.968 -17.707 103 HE ARG 15 HE ARG 15 -2.791 11.939 -16.121 104 HH11 ARG 15 HH11 ARG 15 -0.748 11.581 -18.916 105 HH12 ARG 15 HH12 ARG 15 -1.291 13.047 -19.663 106 HH21 ARG 15 HH21 ARG 15 -3.514 13.871 -17.093 107 HH22 ARG 15 HH22 ARG 15 -2.864 14.350 -18.624 108 H HIS 16 H HIS 16 0.026 5.592 -14.543 109 HA HIS 16 HA HIS 16 -1.422 3.481 -15.994 110 HB2 HIS 16 HB2 HIS 16 1.461 4.225 -15.809 111 HB3 HIS 16 HB3 HIS 16 1.056 2.527 -16.038 112 HD1 HIS 16 HD1 HIS 16 0.651 1.809 -18.381 113 HD2 HIS 16 HD2 HIS 16 0.319 5.926 -17.929 114 HE1 HIS 16 HE1 HIS 16 0.341 2.717 -20.705 115 H SER 17 H SER 17 -1.687 4.151 -13.133 116 HA SER 17 HA SER 17 -0.401 1.928 -11.768 117 HB2 SER 17 HB2 SER 17 -1.899 4.362 -10.935 118 HB3 SER 17 HB3 SER 17 -1.956 2.969 -9.854 119 HG SER 17 HG SER 17 0.510 3.082 -10.383 120 H CYS 18 H CYS 18 -3.636 2.971 -12.723 121 HA CYS 18 HA CYS 18 -5.181 1.073 -11.444 122 HB2 CYS 18 HB2 CYS 18 -5.518 2.377 -14.146 123 HB3 CYS 18 HB3 CYS 18 -6.745 1.335 -13.432 124 H CYS 19 H CYS 19 -5.525 -1.053 -11.657 125 HA CYS 19 HA CYS 19 -3.859 -2.555 -13.467 126 HB2 CYS 19 HB2 CYS 19 -5.809 -3.300 -11.300 127 HB3 CYS 19 HB3 CYS 19 -5.121 -4.519 -12.367 128 H ARG 20 H ARG 20 -4.894 -4.475 -14.634 129 HA ARG 20 HA ARG 20 -6.867 -3.415 -16.447 130 HB2 ARG 20 HB2 ARG 20 -4.921 -4.803 -17.183 131 HB3 ARG 20 HB3 ARG 20 -5.658 -6.184 -16.380 132 HG2 ARG 20 HG2 ARG 20 -7.243 -6.447 -17.979 133 HG3 ARG 20 HG3 ARG 20 -7.320 -4.722 -18.343 134 HD2 ARG 20 HD2 ARG 20 -5.299 -4.824 -19.609 135 HD3 ARG 20 HD3 ARG 20 -4.982 -6.474 -19.073 136 HE ARG 20 HE ARG 20 -7.385 -6.637 -20.341 137 HH11 ARG 20 HH11 ARG 20 -4.232 -5.454 -21.222 138 HH12 ARG 20 HH12 ARG 20 -4.418 -5.829 -22.904 139 HH21 ARG 20 HH21 ARG 20 -7.642 -7.135 -22.553 140 HH22 ARG 20 HH22 ARG 20 -6.358 -6.784 -23.659 141 H GLY 21 H GLY 21 -8.846 -4.534 -17.015 142 HA2 GLY 21 HA2 GLY 21 -10.016 -5.932 -14.687 143 HA3 GLY 21 HA3 GLY 21 -10.919 -4.836 -15.723 144 H ASP 22 H ASP 22 -11.406 -7.661 -15.025 145 HA ASP 22 HA ASP 22 -10.785 -9.460 -17.022 146 HB2 ASP 22 HB2 ASP 22 -13.074 -9.170 -15.132 147 HB3 ASP 22 HB3 ASP 22 -13.225 -10.341 -16.440 148 H MET 23 H MET 23 -13.070 -6.829 -17.068 149 HA MET 23 HA MET 23 -14.079 -7.685 -19.685 150 HB2 MET 23 HB2 MET 23 -15.040 -5.481 -17.851 151 HB3 MET 23 HB3 MET 23 -15.789 -5.937 -19.375 152 HG2 MET 23 HG2 MET 23 -15.786 -8.316 -18.120 153 HG3 MET 23 HG3 MET 23 -15.914 -7.230 -16.739 154 HE1 MET 23 HE1 MET 23 -19.276 -5.495 -17.144 155 HE2 MET 23 HE2 MET 23 -17.974 -5.964 -16.052 156 HE3 MET 23 HE3 MET 23 -17.648 -4.867 -17.395 157 H PHE 24 H PHE 24 -12.952 -4.686 -18.112 158 HA PHE 24 HA PHE 24 -11.468 -4.010 -20.529 159 HB2 PHE 24 HB2 PHE 24 -13.305 -1.964 -19.293 160 HB3 PHE 24 HB3 PHE 24 -12.453 -1.875 -20.832 161 HD1 PHE 24 HD2 PHE 24 -13.262 -3.105 -22.775 162 HD2 PHE 24 HD1 PHE 24 -15.371 -3.159 -19.078 163 HE1 PHE 24 HE2 PHE 24 -15.249 -3.987 -23.925 164 HE2 PHE 24 HE1 PHE 24 -17.362 -4.044 -20.223 165 HZ PHE 24 HZ PHE 24 -17.303 -4.458 -22.651 166 H LYS 25 H LYS 25 -9.890 -2.329 -20.204 167 HA LYS 25 HA LYS 25 -8.796 -2.400 -17.524 168 HB2 LYS 25 HB2 LYS 25 -7.201 -2.715 -19.252 169 HB3 LYS 25 HB3 LYS 25 -7.793 -1.328 -20.156 170 HG2 LYS 25 HG2 LYS 25 -6.606 0.152 -18.934 171 HG3 LYS 25 HG3 LYS 25 -6.770 -0.779 -17.443 172 HD2 LYS 25 HD2 LYS 25 -4.593 -1.248 -17.786 173 HD3 LYS 25 HD3 LYS 25 -5.225 -2.447 -18.917 174 HE2 LYS 25 HE2 LYS 25 -5.066 -0.709 -20.711 175 HE3 LYS 25 HE3 LYS 25 -4.244 0.333 -19.550 176 HZ1 LYS 25 HZ1 LYS 25 -2.442 -1.156 -19.413 177 HZ2 LYS 25 HZ2 LYS 25 -2.771 -0.993 -21.064 178 HZ3 LYS 25 HZ3 LYS 25 -3.272 -2.381 -20.235 179 H TYR 26 H TYR 26 -8.474 -0.655 -16.177 180 HA TYR 26 HA TYR 26 -10.226 1.618 -16.658 181 HB2 TYR 26 HB2 TYR 26 -8.593 0.991 -14.192 182 HB3 TYR 26 HB3 TYR 26 -9.921 2.139 -14.320 183 HD1 TYR 26 HD1 TYR 26 -12.100 0.847 -15.493 184 HD2 TYR 26 HD2 TYR 26 -9.142 -0.871 -12.964 185 HE1 TYR 26 HE1 TYR 26 -13.690 -0.913 -14.841 186 HE2 TYR 26 HE2 TYR 26 -10.722 -2.638 -12.306 187 HH TYR 26 HH TYR 26 -12.984 -3.167 -12.277 188 H VAL 27 H VAL 27 -9.553 3.776 -16.590 189 HA VAL 27 HA VAL 27 -6.659 4.188 -16.975 190 HB VAL 27 HB VAL 27 -8.370 4.516 -18.966 191 HG11 VAL 27 HG11 VAL 27 -8.367 7.322 -17.951 192 HG12 VAL 27 HG12 VAL 27 -9.443 6.548 -19.117 193 HG13 VAL 27 HG13 VAL 27 -9.608 6.199 -17.396 194 HG21 VAL 27 HG21 VAL 27 -6.547 6.803 -18.876 195 HG22 VAL 27 HG22 VAL 27 -5.791 5.263 -18.469 196 HG23 VAL 27 HG23 VAL 27 -6.623 5.456 -20.011 197 H CYS 28 H CYS 28 -6.181 6.677 -16.765 198 HA CYS 28 HA CYS 28 -7.246 7.473 -14.151 199 HB2 CYS 28 HB2 CYS 28 -4.740 7.187 -14.565 200 HB3 CYS 28 HB3 CYS 28 -4.841 8.649 -15.540 201 H ASP 29 H ASP 29 -8.811 8.932 -14.153 202 HA ASP 29 HA ASP 29 -8.940 10.879 -16.352 203 HB2 ASP 29 HB2 ASP 29 -11.005 9.610 -14.599 204 HB3 ASP 29 HB3 ASP 29 -11.324 11.206 -15.271 205 H CYS 30 H CYS 30 -8.227 12.848 -15.922 206 HA CYS 30 HA CYS 30 -8.133 13.760 -13.138 207 HB2 CYS 30 HB2 CYS 30 -6.703 14.652 -15.638 208 HB3 CYS 30 HB3 CYS 30 -6.674 15.600 -14.155 209 H PHE 31 H PHE 31 -8.816 15.895 -12.582 210 HA PHE 31 HA PHE 31 -10.564 17.253 -14.487 211 HB2 PHE 31 HB2 PHE 31 -11.481 16.462 -11.715 212 HB3 PHE 31 HB3 PHE 31 -12.406 17.388 -12.892 213 HD1 PHE 31 HD2 PHE 31 -13.265 16.297 -14.925 214 HD2 PHE 31 HD1 PHE 31 -11.325 14.094 -11.844 215 HE1 PHE 31 HE2 PHE 31 -14.195 14.210 -15.837 216 HE2 PHE 31 HE1 PHE 31 -12.251 12.003 -12.750 217 HZ PHE 31 HZ PHE 31 -13.690 12.059 -14.748 218 H TYR 32 H TYR 32 -10.752 19.447 -14.163 219 HA TYR 32 HA TYR 32 -9.079 20.558 -12.006 220 HB2 TYR 32 HB2 TYR 32 -9.694 21.938 -14.616 221 HB3 TYR 32 HB3 TYR 32 -8.450 22.346 -13.439 222 HD1 TYR 32 HD2 TYR 32 -6.600 20.558 -13.061 223 HD2 TYR 32 HD1 TYR 32 -9.147 20.647 -16.468 224 HE1 TYR 32 HE2 TYR 32 -4.972 19.198 -14.305 225 HE2 TYR 32 HE1 TYR 32 -7.526 19.286 -17.722 226 HH TYR 32 HH TYR 32 -5.581 18.227 -17.670 227 HA PRO 33 HA PRO 33 -13.416 21.948 -11.190 228 HB2 PRO 33 HB2 PRO 33 -13.243 21.637 -8.499 229 HB3 PRO 33 HB3 PRO 33 -13.685 20.319 -9.592 230 HG2 PRO 33 HG2 PRO 33 -11.037 20.932 -8.336 231 HG3 PRO 33 HG3 PRO 33 -11.849 19.367 -8.530 232 HD2 PRO 33 HD2 PRO 33 -9.858 20.189 -10.170 233 HD3 PRO 33 HD3 PRO 33 -11.189 19.155 -10.729 234 H GLU 34 H GLU 34 -12.294 23.982 -11.945 235 HA GLU 34 HA GLU 34 -11.866 26.193 -11.618 236 HB2 GLU 34 HB2 GLU 34 -13.586 25.486 -9.546 237 HB3 GLU 34 HB3 GLU 34 -12.269 26.329 -8.743 238 HG2 GLU 34 HG2 GLU 34 -12.802 27.930 -10.913 239 HG3 GLU 34 HG3 GLU 34 -14.397 27.364 -10.424 240 H GLY 35 H GLY 35 -9.801 24.157 -11.264 241 HA2 GLY 35 HA2 GLY 35 -7.762 25.864 -10.177 242 HA3 GLY 35 HA3 GLY 35 -8.076 24.459 -9.167 243 H GLU 36 H GLU 36 -7.327 25.366 -12.522 244 HA GLU 36 HA GLU 36 -6.487 22.788 -13.318 245 HB2 GLU 36 HB2 GLU 36 -6.017 25.550 -14.415 246 HB3 GLU 36 HB3 GLU 36 -5.257 24.141 -15.141 247 HG2 GLU 36 HG2 GLU 36 -7.550 23.157 -15.391 248 HG3 GLU 36 HG3 GLU 36 -8.195 24.721 -14.897 249 H ASP 37 H ASP 37 -4.494 25.687 -12.710 250 HA ASP 37 HA ASP 37 -2.202 23.939 -12.193 251 HB2 ASP 37 HB2 ASP 37 -2.039 26.933 -12.280 252 HB3 ASP 37 HB3 ASP 37 -0.812 25.740 -12.697 253 H LYS 38 H LYS 38 -4.428 24.327 -10.293 254 HA LYS 38 HA LYS 38 -2.870 25.418 -8.042 255 HB2 LYS 38 HB2 LYS 38 -5.883 25.422 -8.262 256 HB3 LYS 38 HB3 LYS 38 -4.910 26.178 -7.007 257 HG2 LYS 38 HG2 LYS 38 -3.890 27.480 -9.058 258 HG3 LYS 38 HG3 LYS 38 -5.440 27.061 -9.792 259 HD2 LYS 38 HD2 LYS 38 -6.614 28.429 -8.415 260 HD3 LYS 38 HD3 LYS 38 -5.536 28.150 -7.045 261 HE2 LYS 38 HE2 LYS 38 -4.476 30.057 -7.459 262 HE3 LYS 38 HE3 LYS 38 -4.096 29.518 -9.094 263 HZ1 LYS 38 HZ1 LYS 38 -6.769 30.263 -9.094 264 HZ2 LYS 38 HZ2 LYS 38 -5.477 31.061 -9.839 265 HZ3 LYS 38 HZ3 LYS 38 -5.940 31.487 -8.269 266 H THR 39 H THR 39 -5.544 23.204 -8.841 267 HA THR 39 HA THR 39 -4.356 21.105 -7.269 268 HB THR 39 HB THR 39 -7.132 21.768 -6.394 269 HG1 THR 39 HG1 THR 39 -6.415 23.641 -5.689 270 HG21 THR 39 HG21 THR 39 -4.744 20.333 -5.292 271 HG22 THR 39 HG22 THR 39 -6.397 19.754 -5.498 272 HG23 THR 39 HG23 THR 39 -6.018 20.900 -4.213 273 H GLU 40 H GLU 40 -4.492 19.590 -8.813 274 HA GLU 40 HA GLU 40 -7.004 19.282 -10.293 275 HB2 GLU 40 HB2 GLU 40 -5.625 17.716 -11.721 276 HB3 GLU 40 HB3 GLU 40 -5.142 19.405 -11.757 277 HG2 GLU 40 HG2 GLU 40 -3.755 17.914 -9.696 278 HG3 GLU 40 HG3 GLU 40 -3.505 17.235 -11.302 279 H VAL 41 H VAL 41 -8.271 17.510 -10.126 280 HA VAL 41 HA VAL 41 -7.457 15.480 -8.152 281 HB VAL 41 HB VAL 41 -10.273 16.114 -9.035 282 HG11 VAL 41 HG11 VAL 41 -10.190 15.009 -6.457 283 HG12 VAL 41 HG12 VAL 41 -10.776 14.249 -7.938 284 HG13 VAL 41 HG13 VAL 41 -9.096 14.038 -7.443 285 HG21 VAL 41 HG21 VAL 41 -8.681 17.163 -6.707 286 HG22 VAL 41 HG22 VAL 41 -9.488 18.087 -7.974 287 HG23 VAL 41 HG23 VAL 41 -10.443 17.217 -6.774 288 H CYS 42 H CYS 42 -6.925 13.568 -8.950 289 HA CYS 42 HA CYS 42 -8.188 12.686 -11.464 290 HB2 CYS 42 HB2 CYS 42 -5.437 11.911 -10.478 291 HB3 CYS 42 HB3 CYS 42 -6.153 11.524 -12.039 292 H SER 43 H SER 43 -9.084 10.692 -11.530 293 HA SER 43 HA SER 43 -8.617 8.842 -9.312 294 HB2 SER 43 HB2 SER 43 -11.176 8.459 -9.292 295 HB3 SER 43 HB3 SER 43 -10.544 9.883 -8.465 296 HG SER 43 HG SER 43 -12.333 9.810 -10.394 297 H CYS 44 H CYS 44 -9.387 6.664 -9.748 298 HA CYS 44 HA CYS 44 -8.803 5.854 -12.409 299 HB2 CYS 44 HB2 CYS 44 -8.549 4.590 -10.104 300 HB3 CYS 44 HB3 CYS 44 -10.171 4.022 -10.485 301 H GLN 45 H GLN 45 -10.136 6.032 -14.075 302 HA GLN 45 HA GLN 45 -12.918 5.209 -13.773 303 HB2 GLN 45 HB2 GLN 45 -12.049 7.909 -14.800 304 HB3 GLN 45 HB3 GLN 45 -13.637 7.227 -15.124 305 HG2 GLN 45 HG2 GLN 45 -13.408 6.976 -12.400 306 HG3 GLN 45 HG3 GLN 45 -12.606 8.512 -12.730 307 HE21 GLN 45 HE21 GLN 45 -15.360 7.439 -11.677 308 HE22 GLN 45 HE22 GLN 45 -16.479 8.532 -12.409 309 H GLN 46 H GLN 46 -13.977 5.487 -16.122 310 HA GLN 46 HA GLN 46 -12.281 3.891 -17.861 311 HB2 GLN 46 HB2 GLN 46 -15.143 4.712 -18.350 312 HB3 GLN 46 HB3 GLN 46 -14.266 3.378 -19.087 313 HG2 GLN 46 HG2 GLN 46 -14.124 2.867 -16.367 314 HG3 GLN 46 HG3 GLN 46 -15.761 3.471 -16.619 315 HE21 GLN 46 HE21 GLN 46 -17.207 1.996 -17.108 316 HE22 GLN 46 HE22 GLN 46 -16.901 0.478 -17.872 317 HA PRO 47 HA PRO 47 -11.139 7.227 -20.497 318 HB2 PRO 47 HB2 PRO 47 -10.535 5.805 -22.729 319 HB3 PRO 47 HB3 PRO 47 -9.499 5.831 -21.298 320 HG2 PRO 47 HG2 PRO 47 -11.492 3.769 -22.157 321 HG3 PRO 47 HG3 PRO 47 -9.863 3.543 -21.494 322 HD2 PRO 47 HD2 PRO 47 -12.099 3.275 -19.989 323 HD3 PRO 47 HD3 PRO 47 -10.566 3.871 -19.323 324 H LYS 48 H LYS 48 -11.915 8.462 -22.211 325 HA LYS 48 HA LYS 48 -14.641 8.388 -22.748 326 HB2 LYS 48 HB2 LYS 48 -12.424 10.022 -23.458 327 HB3 LYS 48 HB3 LYS 48 -13.302 9.651 -24.936 328 HG2 LYS 48 HG2 LYS 48 -15.077 10.902 -24.352 329 HG3 LYS 48 HG3 LYS 48 -14.968 10.453 -22.649 330 HD2 LYS 48 HD2 LYS 48 -14.423 12.705 -22.607 331 HD3 LYS 48 HD3 LYS 48 -12.836 11.933 -22.655 332 HE2 LYS 48 HE2 LYS 48 -13.022 12.184 -25.205 333 HE3 LYS 48 HE3 LYS 48 -14.325 13.320 -24.861 334 HZ1 LYS 48 HZ1 LYS 48 -12.216 14.027 -23.217 335 HZ2 LYS 48 HZ2 LYS 48 -12.780 14.862 -24.576 336 HZ3 LYS 48 HZ3 LYS 48 -11.530 13.733 -24.735 337 H SER 49 H SER 49 -12.030 6.697 -24.260 338 HA SER 49 HA SER 49 -13.299 6.112 -26.729 339 HB2 SER 49 HB2 SER 49 -10.855 5.309 -25.329 340 HB3 SER 49 HB3 SER 49 -11.554 4.017 -26.303 341 HG SER 49 HG SER 49 -10.584 6.529 -27.106 342 H HIS 50 H HIS 50 -12.853 4.163 -23.778 343 HA HIS 50 HA HIS 50 -14.434 1.992 -24.666 344 HB2 HIS 50 HB2 HIS 50 -13.257 2.859 -22.074 345 HB3 HIS 50 HB3 HIS 50 -14.568 1.684 -22.013 346 HD1 HIS 50 HD1 HIS 50 -14.089 -0.430 -23.812 347 HD2 HIS 50 HD2 HIS 50 -10.848 1.669 -22.275 348 HE1 HIS 50 HE1 HIS 50 -12.102 -1.943 -24.115 349 H LYS 51 H LYS 51 -15.174 4.970 -22.984 350 HA LYS 51 HA LYS 51 -17.797 4.249 -22.160 351 HB2 LYS 51 HB2 LYS 51 -16.909 6.048 -20.976 352 HB3 LYS 51 HB3 LYS 51 -16.298 6.831 -22.426 353 HG2 LYS 51 HG2 LYS 51 -19.221 6.549 -22.291 354 HG3 LYS 51 HG3 LYS 51 -18.501 7.617 -21.083 355 HD2 LYS 51 HD2 LYS 51 -17.890 9.158 -22.622 356 HD3 LYS 51 HD3 LYS 51 -17.509 7.941 -23.842 357 HE2 LYS 51 HE2 LYS 51 -19.533 8.099 -24.778 358 HE3 LYS 51 HE3 LYS 51 -20.349 8.063 -23.215 359 HZ1 LYS 51 HZ1 LYS 51 -20.233 10.205 -24.833 360 HZ2 LYS 51 HZ2 LYS 51 -18.954 10.527 -23.775 361 HZ3 LYS 51 HZ3 LYS 51 -20.512 10.279 -23.167 362 H ILE 52 H ILE 52 -16.548 6.094 -24.928 363 HA ILE 52 HA ILE 52 -19.048 6.675 -26.083 364 HB ILE 52 HB ILE 52 -16.283 6.496 -27.261 365 HG12 ILE 52 HG12 ILE 52 -16.887 8.362 -25.685 366 HG13 ILE 52 HG13 ILE 52 -16.384 8.892 -27.285 367 HG21 ILE 52 HG21 ILE 52 -17.430 6.064 -29.187 368 HG22 ILE 52 HG22 ILE 52 -18.901 6.853 -28.619 369 HG23 ILE 52 HG23 ILE 52 -17.536 7.824 -29.171 370 HD11 ILE 52 HD11 ILE 52 -18.538 9.840 -26.026 371 HD12 ILE 52 HD12 ILE 52 -18.409 9.742 -27.783 372 HD13 ILE 52 HD13 ILE 52 -19.277 8.493 -26.892 373 H ALA 53 H ALA 53 -16.741 4.043 -26.697 374 HA ALA 53 HA ALA 53 -18.175 2.792 -28.760 375 HB1 ALA 53 HB1 ALA 53 -16.862 0.736 -28.032 376 HB2 ALA 53 HB2 ALA 53 -15.929 2.158 -28.500 377 HB3 ALA 53 HB3 ALA 53 -16.147 1.771 -26.795 378 H GLU 54 H GLU 54 -18.065 2.014 -25.280 379 HA GLU 54 HA GLU 54 -19.896 -0.070 -25.288 380 HB2 GLU 54 HB2 GLU 54 -18.963 1.882 -23.240 381 HB3 GLU 54 HB3 GLU 54 -20.388 0.923 -22.869 382 HG2 GLU 54 HG2 GLU 54 -18.066 0.068 -22.150 383 HG3 GLU 54 HG3 GLU 54 -19.218 -1.062 -22.857 384 H LYS 55 H LYS 55 -20.472 3.410 -24.925 385 HA LYS 55 HA LYS 55 -23.226 3.305 -24.458 386 HB2 LYS 55 HB2 LYS 55 -21.258 5.325 -25.148 387 HB3 LYS 55 HB3 LYS 55 -22.797 5.632 -25.942 388 HG2 LYS 55 HG2 LYS 55 -22.970 6.793 -23.944 389 HG3 LYS 55 HG3 LYS 55 -23.835 5.288 -23.621 390 HD2 LYS 55 HD2 LYS 55 -21.527 4.458 -22.754 391 HD3 LYS 55 HD3 LYS 55 -21.151 6.180 -22.646 392 HE2 LYS 55 HE2 LYS 55 -23.150 6.500 -21.240 393 HE3 LYS 55 HE3 LYS 55 -23.460 4.766 -21.314 394 HZ1 LYS 55 HZ1 LYS 55 -21.053 4.615 -20.404 395 HZ2 LYS 55 HZ2 LYS 55 -22.326 4.963 -19.347 396 HZ3 LYS 55 HZ3 LYS 55 -21.324 6.208 -19.901 397 H ILE 56 H ILE 56 -21.489 3.781 -27.533 398 HA ILE 56 HA ILE 56 -23.689 3.911 -29.219 399 HB ILE 56 HB ILE 56 -20.979 2.720 -29.818 400 HG12 ILE 56 HG12 ILE 56 -21.860 5.451 -30.660 401 HG13 ILE 56 HG13 ILE 56 -21.326 5.207 -29.001 402 HG21 ILE 56 HG21 ILE 56 -23.380 3.000 -31.421 403 HG22 ILE 56 HG22 ILE 56 -21.997 3.825 -32.138 404 HG23 ILE 56 HG23 ILE 56 -21.896 2.107 -31.755 405 HD11 ILE 56 HD11 ILE 56 -19.170 4.513 -29.720 406 HD12 ILE 56 HD12 ILE 56 -19.687 4.459 -31.405 407 HD13 ILE 56 HD13 ILE 56 -19.565 6.007 -30.569 408 H ILE 57 H ILE 57 -21.696 1.028 -28.537 409 HA ILE 57 HA ILE 57 -23.198 -0.836 -29.917 410 HB ILE 57 HB ILE 57 -21.714 -1.259 -27.319 411 HG12 ILE 57 HG12 ILE 57 -20.335 -0.310 -29.143 412 HG13 ILE 57 HG13 ILE 57 -19.846 -1.948 -28.722 413 HG21 ILE 57 HG21 ILE 57 -22.873 -3.213 -27.457 414 HG22 ILE 57 HG22 ILE 57 -23.066 -3.105 -29.205 415 HG23 ILE 57 HG23 ILE 57 -21.525 -3.619 -28.519 416 HD11 ILE 57 HD11 ILE 57 -20.586 -0.910 -31.249 417 HD12 ILE 57 HD12 ILE 57 -20.064 -2.544 -30.834 418 HD13 ILE 57 HD13 ILE 57 -21.777 -2.125 -30.783 419 H ASP 58 H ASP 58 -23.499 0.060 -26.481 420 HA ASP 58 HA ASP 58 -25.586 -1.606 -25.776 421 HB2 ASP 58 HB2 ASP 58 -24.759 1.121 -24.824 422 HB3 ASP 58 HB3 ASP 58 -26.190 0.339 -24.160 423 H LYS 59 H LYS 59 -25.792 1.695 -27.087 424 HA LYS 59 HA LYS 59 -28.611 1.799 -27.158 425 HB2 LYS 59 HB2 LYS 59 -27.055 3.768 -27.287 426 HB3 LYS 59 HB3 LYS 59 -26.696 3.305 -28.945 427 HG2 LYS 59 HG2 LYS 59 -28.402 4.561 -29.584 428 HG3 LYS 59 HG3 LYS 59 -29.479 3.400 -28.804 429 HD2 LYS 59 HD2 LYS 59 -28.696 4.853 -26.667 430 HD3 LYS 59 HD3 LYS 59 -28.624 6.083 -27.931 431 HE2 LYS 59 HE2 LYS 59 -31.028 4.388 -27.960 432 HE3 LYS 59 HE3 LYS 59 -30.863 5.429 -26.546 433 HZ1 LYS 59 HZ1 LYS 59 -30.288 6.791 -29.000 434 HZ2 LYS 59 HZ2 LYS 59 -31.336 7.226 -27.746 435 HZ3 LYS 59 HZ3 LYS 59 -31.863 6.173 -28.962 436 H ALA 60 H ALA 60 -26.222 0.542 -29.374 437 HA ALA 60 HA ALA 60 -27.843 0.355 -31.673 438 HB1 ALA 60 HB1 ALA 60 -26.049 -0.597 -32.639 439 HB2 ALA 60 HB2 ALA 60 -25.223 -0.085 -31.167 440 HB3 ALA 60 HB3 ALA 60 -25.812 -1.740 -31.317 441 H LYS 61 H LYS 61 -27.035 -2.075 -29.195 442 HA LYS 61 HA LYS 61 -28.801 -4.040 -30.271 443 HB2 LYS 61 HB2 LYS 61 -27.736 -3.964 -27.451 444 HB3 LYS 61 HB3 LYS 61 -28.220 -5.374 -28.385 445 HG2 LYS 61 HG2 LYS 61 -25.847 -3.617 -28.975 446 HG3 LYS 61 HG3 LYS 61 -25.793 -5.194 -28.185 447 HD2 LYS 61 HD2 LYS 61 -27.131 -5.885 -30.387 448 HD3 LYS 61 HD3 LYS 61 -26.245 -4.502 -31.034 449 HE2 LYS 61 HE2 LYS 61 -24.151 -5.482 -30.473 450 HE3 LYS 61 HE3 LYS 61 -24.927 -6.747 -29.523 451 HZ1 LYS 61 HZ1 LYS 61 -25.300 -6.425 -32.448 452 HZ2 LYS 61 HZ2 LYS 61 -25.805 -7.723 -31.489 453 HZ3 LYS 61 HZ3 LYS 61 -24.156 -7.462 -31.758 454 H THR 62 H THR 62 -29.085 -1.498 -27.897 455 HA THR 62 HA THR 62 -31.547 -2.425 -26.768 456 HB THR 62 HB THR 62 -30.283 0.321 -26.670 457 HG1 THR 62 HG1 THR 62 -29.584 -0.394 -24.609 458 HG21 THR 62 HG21 THR 62 -31.826 0.073 -24.431 459 HG22 THR 62 HG22 THR 62 -32.816 -0.744 -25.640 460 HG23 THR 62 HG23 THR 62 -32.308 0.926 -25.896 461 H THR 63 H THR 63 -30.661 -0.543 -29.530 462 HA THR 63 HA THR 63 -33.385 0.450 -29.893 463 HB THR 63 HB THR 63 -30.889 0.955 -31.525 464 HG1 THR 63 HG1 THR 63 -32.318 2.643 -29.722 465 HG21 THR 63 HG21 THR 63 -32.299 1.633 -33.123 466 HG22 THR 63 HG22 THR 63 -32.746 2.952 -32.042 467 HG23 THR 63 HG23 THR 63 -33.695 1.466 -32.059 468 H LEU 64 H LEU 64 -31.177 -1.933 -31.140 469 HA LEU 64 HA LEU 64 -32.954 -2.558 -33.374 470 HB2 LEU 64 HB2 LEU 64 -30.224 -3.550 -32.592 471 HB3 LEU 64 HB3 LEU 64 -31.151 -4.237 -33.923 472 HG LEU 64 HG LEU 64 -30.364 -1.334 -33.802 473 HD11 LEU 64 HD11 LEU 64 -28.542 -1.898 -35.328 474 HD12 LEU 64 HD12 LEU 64 -28.921 -3.611 -35.152 475 HD13 LEU 64 HD13 LEU 64 -28.341 -2.688 -33.765 476 HD21 LEU 64 HD21 LEU 64 -30.589 -2.115 -36.419 477 HD22 LEU 64 HD22 LEU 64 -31.829 -1.273 -35.490 478 HD23 LEU 64 HD23 LEU 64 -31.875 -3.031 -35.633 Start of MODEL 9 1 H1 ALA 1 H ALA 1 -4.016 -8.559 -6.665 2 HA ALA 1 HA ALA 1 -4.715 -8.278 -3.987 3 HB1 ALA 1 HB1 ALA 1 -2.511 -6.568 -4.939 4 HB2 ALA 1 HB2 ALA 1 -2.544 -7.767 -3.646 5 HB3 ALA 1 HB3 ALA 1 -2.380 -8.283 -5.324 6 H LYS 2 H LYS 2 -4.346 -6.138 -2.753 7 HA LYS 2 HA LYS 2 -6.069 -4.108 -3.999 8 HB2 LYS 2 HB2 LYS 2 -5.479 -4.690 -1.093 9 HB3 LYS 2 HB3 LYS 2 -6.445 -3.330 -1.649 10 HG2 LYS 2 HG2 LYS 2 -8.228 -4.633 -1.560 11 HG3 LYS 2 HG3 LYS 2 -7.546 -5.589 -2.878 12 HD2 LYS 2 HD2 LYS 2 -7.787 -7.240 -1.327 13 HD3 LYS 2 HD3 LYS 2 -6.180 -6.670 -0.872 14 HE2 LYS 2 HE2 LYS 2 -7.203 -6.681 1.176 15 HE3 LYS 2 HE3 LYS 2 -7.558 -5.034 0.660 16 HZ1 LYS 2 HZ1 LYS 2 -9.492 -7.067 -0.107 17 HZ2 LYS 2 HZ2 LYS 2 -9.740 -5.481 0.427 18 HZ3 LYS 2 HZ3 LYS 2 -9.409 -6.708 1.545 19 H ALA 3 H ALA 3 -2.948 -4.629 -3.844 20 HA ALA 3 HA ALA 3 -2.066 -2.070 -2.789 21 HB1 ALA 3 HB1 ALA 3 -0.716 -4.059 -2.364 22 HB2 ALA 3 HB2 ALA 3 -0.489 -4.282 -4.100 23 HB3 ALA 3 HB3 ALA 3 0.186 -2.864 -3.298 24 H CYS 4 H CYS 4 -3.830 -2.152 -5.135 25 HA CYS 4 HA CYS 4 -2.076 -0.716 -7.011 26 HB2 CYS 4 HB2 CYS 4 -3.392 -1.592 -8.888 27 HB3 CYS 4 HB3 CYS 4 -2.647 -2.899 -7.974 28 H THR 5 H THR 5 -3.812 0.333 -8.736 29 HA THR 5 HA THR 5 -5.553 1.988 -7.035 30 HB THR 5 HB THR 5 -4.437 2.704 -9.752 31 HG1 THR 5 HG1 THR 5 -3.456 3.074 -7.138 32 HG21 THR 5 HG21 THR 5 -6.505 3.878 -9.159 33 HG22 THR 5 HG22 THR 5 -5.126 4.977 -9.155 34 HG23 THR 5 HG23 THR 5 -5.784 4.382 -7.632 35 HA PRO 6 HA PRO 6 -8.510 -0.435 -9.596 36 HB2 PRO 6 HB2 PRO 6 -10.411 -0.557 -7.661 37 HB3 PRO 6 HB3 PRO 6 -9.068 -1.702 -7.761 38 HG2 PRO 6 HG2 PRO 6 -9.369 0.716 -6.021 39 HG3 PRO 6 HG3 PRO 6 -8.750 -0.893 -5.605 40 HD2 PRO 6 HD2 PRO 6 -7.121 1.210 -6.108 41 HD3 PRO 6 HD3 PRO 6 -6.670 -0.462 -6.500 42 H LEU 7 H LEU 7 -11.113 0.056 -9.482 43 HA LEU 7 HA LEU 7 -11.391 2.612 -10.651 44 HB2 LEU 7 HB2 LEU 7 -12.867 0.960 -11.406 45 HB3 LEU 7 HB3 LEU 7 -13.334 0.506 -9.768 46 HG LEU 7 HG LEU 7 -14.518 2.691 -9.572 47 HD11 LEU 7 HD11 LEU 7 -14.381 4.275 -11.125 48 HD12 LEU 7 HD12 LEU 7 -14.733 3.134 -12.421 49 HD13 LEU 7 HD13 LEU 7 -13.077 3.336 -11.851 50 HD21 LEU 7 HD21 LEU 7 -15.750 0.677 -10.100 51 HD22 LEU 7 HD22 LEU 7 -15.371 0.861 -11.813 52 HD23 LEU 7 HD23 LEU 7 -16.411 2.037 -11.007 53 H LEU 8 H LEU 8 -12.421 4.471 -9.920 54 HA LEU 8 HA LEU 8 -12.965 6.097 -8.427 55 HB2 LEU 8 HB2 LEU 8 -14.099 3.652 -7.124 56 HB3 LEU 8 HB3 LEU 8 -14.173 5.214 -6.311 57 HG LEU 8 HG LEU 8 -15.403 4.548 -8.986 58 HD11 LEU 8 HD11 LEU 8 -17.393 4.241 -7.952 59 HD12 LEU 8 HD12 LEU 8 -17.016 5.362 -6.644 60 HD13 LEU 8 HD13 LEU 8 -16.345 3.731 -6.628 61 HD21 LEU 8 HD21 LEU 8 -16.489 6.782 -8.687 62 HD22 LEU 8 HD22 LEU 8 -14.752 6.843 -8.993 63 HD23 LEU 8 HD23 LEU 8 -15.369 7.083 -7.357 64 H HIS 9 H HIS 9 -10.368 5.616 -8.350 65 HA HIS 9 HA HIS 9 -9.716 5.972 -5.527 66 HB2 HIS 9 HB2 HIS 9 -8.770 3.745 -7.246 67 HB3 HIS 9 HB3 HIS 9 -7.560 4.520 -6.227 68 HD1 HIS 9 HD1 HIS 9 -7.353 3.536 -3.975 69 HD2 HIS 9 HD2 HIS 9 -11.138 2.930 -5.577 70 HE1 HIS 9 HE1 HIS 9 -8.583 2.139 -2.284 71 H ASP 10 H ASP 10 -7.436 6.775 -5.261 72 HA ASP 10 HA ASP 10 -7.027 9.030 -6.909 73 HB2 ASP 10 HB2 ASP 10 -5.153 7.726 -4.923 74 HB3 ASP 10 HB3 ASP 10 -4.935 9.328 -5.622 75 H CYS 11 H CYS 11 -6.478 8.820 -8.987 76 HA CYS 11 HA CYS 11 -4.381 6.884 -9.700 77 HB2 CYS 11 HB2 CYS 11 -5.261 6.840 -11.906 78 HB3 CYS 11 HB3 CYS 11 -6.652 6.751 -10.828 79 H SER 12 H SER 12 -4.619 10.002 -8.882 80 HA SER 12 HA SER 12 -3.454 11.532 -10.858 81 HB2 SER 12 HB2 SER 12 -4.282 12.420 -8.694 82 HB3 SER 12 HB3 SER 12 -2.878 11.718 -7.889 83 HG SER 12 HG SER 12 -1.625 13.233 -8.712 84 H HIS 13 H HIS 13 -1.837 9.525 -8.417 85 HA HIS 13 HA HIS 13 0.742 10.010 -9.697 86 HB2 HIS 13 HB2 HIS 13 -0.092 8.733 -7.104 87 HB3 HIS 13 HB3 HIS 13 1.536 8.517 -7.741 88 HD1 HIS 13 HD1 HIS 13 3.177 10.365 -7.325 89 HD2 HIS 13 HD2 HIS 13 -0.734 11.491 -6.492 90 HE1 HIS 13 HE1 HIS 13 3.346 12.623 -6.230 91 H ASP 14 H ASP 14 -1.639 8.210 -10.599 92 HA ASP 14 HA ASP 14 0.054 6.135 -11.687 93 HB2 ASP 14 HB2 ASP 14 -2.290 4.805 -10.675 94 HB3 ASP 14 HB3 ASP 14 -0.592 4.425 -10.398 95 H ARG 15 H ARG 15 -0.436 6.957 -13.702 96 HA ARG 15 HA ARG 15 -3.135 7.419 -14.547 97 HB2 ARG 15 HB2 ARG 15 -0.567 7.230 -16.131 98 HB3 ARG 15 HB3 ARG 15 -2.115 7.746 -16.787 99 HG2 ARG 15 HG2 ARG 15 -2.069 9.761 -15.685 100 HG3 ARG 15 HG3 ARG 15 -0.991 9.164 -14.421 101 HD2 ARG 15 HD2 ARG 15 -0.139 9.506 -17.288 102 HD3 ARG 15 HD3 ARG 15 0.024 10.778 -16.078 103 HE ARG 15 HE ARG 15 1.213 8.487 -15.043 104 HH11 ARG 15 HH11 ARG 15 1.676 10.697 -17.693 105 HH12 ARG 15 HH12 ARG 15 3.393 10.471 -17.752 106 HH21 ARG 15 HH21 ARG 15 3.472 8.181 -15.110 107 HH22 ARG 15 HH22 ARG 15 4.413 9.040 -16.283 108 H HIS 16 H HIS 16 -0.751 5.294 -16.109 109 HA HIS 16 HA HIS 16 -2.910 3.454 -16.799 110 HB2 HIS 16 HB2 HIS 16 -0.182 4.006 -17.852 111 HB3 HIS 16 HB3 HIS 16 -0.805 2.370 -18.038 112 HD1 HIS 16 HD1 HIS 16 -3.722 2.949 -18.727 113 HD2 HIS 16 HD2 HIS 16 -0.514 5.038 -20.340 114 HE1 HIS 16 HE1 HIS 16 -4.569 3.917 -20.888 115 H SER 17 H SER 17 -1.738 3.688 -14.068 116 HA SER 17 HA SER 17 -0.505 1.046 -13.759 117 HB2 SER 17 HB2 SER 17 -0.495 3.557 -12.164 118 HB3 SER 17 HB3 SER 17 -0.389 2.040 -11.273 119 HG SER 17 HG SER 17 1.435 3.225 -12.998 120 H CYS 18 H CYS 18 -3.502 2.504 -13.607 121 HA CYS 18 HA CYS 18 -4.760 1.498 -11.374 122 HB2 CYS 18 HB2 CYS 18 -5.665 2.151 -14.140 123 HB3 CYS 18 HB3 CYS 18 -6.776 1.276 -13.092 124 H CYS 19 H CYS 19 -6.167 -0.352 -11.090 125 HA CYS 19 HA CYS 19 -4.894 -2.788 -11.767 126 HB2 CYS 19 HB2 CYS 19 -7.721 -2.490 -10.747 127 HB3 CYS 19 HB3 CYS 19 -6.641 -3.865 -10.541 128 H ARG 20 H ARG 20 -5.701 -4.539 -13.020 129 HA ARG 20 HA ARG 20 -6.907 -3.681 -15.490 130 HB2 ARG 20 HB2 ARG 20 -5.117 -5.260 -15.652 131 HB3 ARG 20 HB3 ARG 20 -5.898 -6.351 -14.514 132 HG2 ARG 20 HG2 ARG 20 -7.311 -7.195 -16.076 133 HG3 ARG 20 HG3 ARG 20 -7.379 -5.686 -16.989 134 HD2 ARG 20 HD2 ARG 20 -5.960 -6.595 -18.439 135 HD3 ARG 20 HD3 ARG 20 -4.729 -6.527 -17.178 136 HE ARG 20 HE ARG 20 -4.871 -8.796 -16.986 137 HH11 ARG 20 HH11 ARG 20 -7.730 -7.627 -18.590 138 HH12 ARG 20 HH12 ARG 20 -8.339 -9.211 -18.942 139 HH21 ARG 20 HH21 ARG 20 -5.661 -10.886 -17.442 140 HH22 ARG 20 HH22 ARG 20 -7.162 -11.065 -18.288 141 H GLY 21 H GLY 21 -8.836 -4.471 -16.402 142 HA2 GLY 21 HA2 GLY 21 -10.831 -5.224 -14.385 143 HA3 GLY 21 HA3 GLY 21 -11.174 -4.526 -15.961 144 H ASP 22 H ASP 22 -12.779 -6.394 -15.763 145 HA ASP 22 HA ASP 22 -11.768 -9.044 -16.167 146 HB2 ASP 22 HB2 ASP 22 -14.027 -9.732 -16.287 147 HB3 ASP 22 HB3 ASP 22 -14.012 -8.409 -15.125 148 H MET 23 H MET 23 -12.723 -6.393 -18.211 149 HA MET 23 HA MET 23 -12.316 -8.091 -20.582 150 HB2 MET 23 HB2 MET 23 -13.790 -5.457 -20.429 151 HB3 MET 23 HB3 MET 23 -13.671 -6.511 -21.832 152 HG2 MET 23 HG2 MET 23 -14.726 -7.907 -19.530 153 HG3 MET 23 HG3 MET 23 -15.684 -6.485 -19.936 154 HE1 MET 23 HE1 MET 23 -18.104 -8.534 -21.622 155 HE2 MET 23 HE2 MET 23 -17.626 -7.352 -20.403 156 HE3 MET 23 HE3 MET 23 -17.740 -6.875 -22.097 157 H PHE 24 H PHE 24 -11.817 -4.767 -19.400 158 HA PHE 24 HA PHE 24 -9.187 -4.752 -20.656 159 HB2 PHE 24 HB2 PHE 24 -11.111 -2.479 -21.147 160 HB3 PHE 24 HB3 PHE 24 -9.529 -2.731 -21.878 161 HD1 PHE 24 HD1 PHE 24 -13.032 -3.824 -21.837 162 HD2 PHE 24 HD2 PHE 24 -9.243 -4.204 -23.739 163 HE1 PHE 24 HE1 PHE 24 -14.099 -4.992 -23.722 164 HE2 PHE 24 HE2 PHE 24 -10.303 -5.372 -25.627 165 HZ PHE 24 HZ PHE 24 -12.735 -5.766 -25.620 166 H LYS 25 H LYS 25 -7.732 -3.293 -19.736 167 HA LYS 25 HA LYS 25 -7.940 -2.809 -17.024 168 HB2 LYS 25 HB2 LYS 25 -5.931 -1.601 -17.188 169 HB3 LYS 25 HB3 LYS 25 -5.864 -2.742 -18.524 170 HG2 LYS 25 HG2 LYS 25 -7.051 -0.572 -19.684 171 HG3 LYS 25 HG3 LYS 25 -5.930 0.176 -18.544 172 HD2 LYS 25 HD2 LYS 25 -4.128 -1.279 -19.478 173 HD3 LYS 25 HD3 LYS 25 -5.274 -1.823 -20.706 174 HE2 LYS 25 HE2 LYS 25 -5.489 0.411 -21.568 175 HE3 LYS 25 HE3 LYS 25 -4.513 1.059 -20.251 176 HZ1 LYS 25 HZ1 LYS 25 -3.631 0.162 -22.720 177 HZ2 LYS 25 HZ2 LYS 25 -3.086 -0.974 -21.592 178 HZ3 LYS 25 HZ3 LYS 25 -2.686 0.659 -21.408 179 H TYR 26 H TYR 26 -7.845 -0.630 -15.940 180 HA TYR 26 HA TYR 26 -10.139 0.926 -16.823 181 HB2 TYR 26 HB2 TYR 26 -8.496 1.081 -14.288 182 HB3 TYR 26 HB3 TYR 26 -9.948 2.022 -14.611 183 HD1 TYR 26 HD1 TYR 26 -11.755 0.062 -15.790 184 HD2 TYR 26 HD2 TYR 26 -9.018 -0.377 -12.562 185 HE1 TYR 26 HE1 TYR 26 -13.138 -1.752 -14.871 186 HE2 TYR 26 HE2 TYR 26 -10.393 -2.193 -11.635 187 HH TYR 26 HH TYR 26 -12.611 -3.053 -11.723 188 H VAL 27 H VAL 27 -10.071 3.283 -16.811 189 HA VAL 27 HA VAL 27 -7.444 4.302 -17.679 190 HB VAL 27 HB VAL 27 -8.978 6.088 -18.835 191 HG11 VAL 27 HG11 VAL 27 -7.833 3.588 -19.654 192 HG12 VAL 27 HG12 VAL 27 -9.289 3.924 -20.593 193 HG13 VAL 27 HG13 VAL 27 -7.974 5.099 -20.552 194 HG21 VAL 27 HG21 VAL 27 -11.016 4.970 -17.732 195 HG22 VAL 27 HG22 VAL 27 -11.135 5.429 -19.430 196 HG23 VAL 27 HG23 VAL 27 -10.845 3.746 -18.991 197 H CYS 28 H CYS 28 -6.682 6.176 -16.822 198 HA CYS 28 HA CYS 28 -8.025 7.163 -14.447 199 HB2 CYS 28 HB2 CYS 28 -5.675 6.773 -14.213 200 HB3 CYS 28 HB3 CYS 28 -5.314 7.719 -15.652 201 H ASP 29 H ASP 29 -9.050 9.064 -14.257 202 HA ASP 29 HA ASP 29 -8.959 10.903 -16.560 203 HB2 ASP 29 HB2 ASP 29 -11.248 9.836 -14.987 204 HB3 ASP 29 HB3 ASP 29 -11.344 11.514 -15.514 205 H CYS 30 H CYS 30 -8.450 12.967 -16.162 206 HA CYS 30 HA CYS 30 -8.171 13.780 -13.348 207 HB2 CYS 30 HB2 CYS 30 -6.662 14.514 -15.840 208 HB3 CYS 30 HB3 CYS 30 -6.645 15.582 -14.441 209 H PHE 31 H PHE 31 -8.723 15.942 -12.757 210 HA PHE 31 HA PHE 31 -10.363 17.456 -14.634 211 HB2 PHE 31 HB2 PHE 31 -11.378 16.550 -11.932 212 HB3 PHE 31 HB3 PHE 31 -12.208 17.667 -13.011 213 HD1 PHE 31 HD2 PHE 31 -13.144 16.864 -15.142 214 HD2 PHE 31 HD1 PHE 31 -11.434 14.203 -12.293 215 HE1 PHE 31 HE2 PHE 31 -14.250 14.968 -16.254 216 HE2 PHE 31 HE1 PHE 31 -12.537 12.302 -13.402 217 HZ PHE 31 HZ PHE 31 -13.948 12.684 -15.383 218 H TYR 32 H TYR 32 -10.874 19.631 -13.842 219 HA TYR 32 HA TYR 32 -9.059 20.562 -11.725 220 HB2 TYR 32 HB2 TYR 32 -9.481 22.097 -14.286 221 HB3 TYR 32 HB3 TYR 32 -8.278 22.384 -13.034 222 HD1 TYR 32 HD2 TYR 32 -6.481 20.579 -12.693 223 HD2 TYR 32 HD1 TYR 32 -8.960 20.781 -16.145 224 HE1 TYR 32 HE2 TYR 32 -4.859 19.205 -13.929 225 HE2 TYR 32 HE1 TYR 32 -7.346 19.407 -17.392 226 HH TYR 32 HH TYR 32 -4.714 17.801 -15.839 227 HA PRO 33 HA PRO 33 -13.353 22.117 -11.020 228 HB2 PRO 33 HB2 PRO 33 -13.288 21.721 -8.335 229 HB3 PRO 33 HB3 PRO 33 -13.739 20.454 -9.483 230 HG2 PRO 33 HG2 PRO 33 -11.117 20.925 -8.118 231 HG3 PRO 33 HG3 PRO 33 -11.980 19.400 -8.387 232 HD2 PRO 33 HD2 PRO 33 -9.902 20.191 -9.933 233 HD3 PRO 33 HD3 PRO 33 -11.251 19.228 -10.567 234 H GLU 34 H GLU 34 -12.163 24.136 -11.670 235 HA GLU 34 HA GLU 34 -11.627 26.310 -11.265 236 HB2 GLU 34 HB2 GLU 34 -12.599 25.762 -8.456 237 HB3 GLU 34 HB3 GLU 34 -12.405 27.340 -9.206 238 HG2 GLU 34 HG2 GLU 34 -14.466 27.248 -9.985 239 HG3 GLU 34 HG3 GLU 34 -14.091 25.767 -10.863 240 H GLY 35 H GLY 35 -9.670 24.185 -10.852 241 HA2 GLY 35 HA2 GLY 35 -7.634 25.776 -9.593 242 HA3 GLY 35 HA3 GLY 35 -8.061 24.353 -8.652 243 H GLU 36 H GLU 36 -7.276 25.222 -12.022 244 HA GLU 36 HA GLU 36 -6.243 22.608 -12.585 245 HB2 GLU 36 HB2 GLU 36 -5.562 23.601 -14.747 246 HB3 GLU 36 HB3 GLU 36 -7.254 23.896 -14.369 247 HG2 GLU 36 HG2 GLU 36 -6.756 25.991 -14.981 248 HG3 GLU 36 HG3 GLU 36 -6.148 26.117 -13.332 249 H ASP 37 H ASP 37 -4.841 25.786 -11.922 250 HA ASP 37 HA ASP 37 -2.151 24.644 -11.997 251 HB2 ASP 37 HB2 ASP 37 -2.993 26.995 -12.949 252 HB3 ASP 37 HB3 ASP 37 -2.595 27.504 -11.310 253 H LYS 38 H LYS 38 -4.375 24.390 -9.841 254 HA LYS 38 HA LYS 38 -2.694 25.173 -7.550 255 HB2 LYS 38 HB2 LYS 38 -5.654 25.098 -7.944 256 HB3 LYS 38 HB3 LYS 38 -5.015 24.794 -6.335 257 HG2 LYS 38 HG2 LYS 38 -5.344 27.049 -6.237 258 HG3 LYS 38 HG3 LYS 38 -3.668 26.996 -6.791 259 HD2 LYS 38 HD2 LYS 38 -5.506 26.885 -9.017 260 HD3 LYS 38 HD3 LYS 38 -5.807 28.306 -8.014 261 HE2 LYS 38 HE2 LYS 38 -3.041 27.558 -8.911 262 HE3 LYS 38 HE3 LYS 38 -4.114 28.525 -9.922 263 HZ1 LYS 38 HZ1 LYS 38 -3.744 29.367 -7.148 264 HZ2 LYS 38 HZ2 LYS 38 -3.969 30.302 -8.540 265 HZ3 LYS 38 HZ3 LYS 38 -2.456 29.619 -8.214 266 H THR 39 H THR 39 -5.243 22.779 -8.267 267 HA THR 39 HA THR 39 -3.509 20.582 -7.609 268 HB THR 39 HB THR 39 -5.918 20.692 -5.853 269 HG1 THR 39 HG1 THR 39 -5.117 22.526 -5.076 270 HG21 THR 39 HG21 THR 39 -4.568 19.313 -4.413 271 HG22 THR 39 HG22 THR 39 -3.134 19.620 -5.393 272 HG23 THR 39 HG23 THR 39 -4.468 18.676 -6.053 273 H GLU 40 H GLU 40 -4.022 19.483 -9.421 274 HA GLU 40 HA GLU 40 -6.699 19.321 -10.430 275 HB2 GLU 40 HB2 GLU 40 -5.806 18.122 -12.226 276 HB3 GLU 40 HB3 GLU 40 -4.499 19.200 -11.759 277 HG2 GLU 40 HG2 GLU 40 -4.749 16.291 -11.031 278 HG3 GLU 40 HG3 GLU 40 -3.659 16.980 -12.232 279 H VAL 41 H VAL 41 -8.177 17.726 -10.210 280 HA VAL 41 HA VAL 41 -7.543 15.601 -8.282 281 HB VAL 41 HB VAL 41 -10.290 16.455 -9.189 282 HG11 VAL 41 HG11 VAL 41 -11.119 15.201 -7.391 283 HG12 VAL 41 HG12 VAL 41 -9.869 14.179 -8.103 284 HG13 VAL 41 HG13 VAL 41 -9.534 15.086 -6.627 285 HG21 VAL 41 HG21 VAL 41 -9.875 18.372 -8.104 286 HG22 VAL 41 HG22 VAL 41 -10.032 17.399 -6.641 287 HG23 VAL 41 HG23 VAL 41 -8.435 17.726 -7.315 288 H CYS 42 H CYS 42 -7.106 13.678 -9.114 289 HA CYS 42 HA CYS 42 -8.470 12.875 -11.601 290 HB2 CYS 42 HB2 CYS 42 -5.803 11.835 -10.640 291 HB3 CYS 42 HB3 CYS 42 -6.543 11.598 -12.220 292 H SER 43 H SER 43 -9.200 10.738 -11.782 293 HA SER 43 HA SER 43 -8.999 8.981 -9.476 294 HB2 SER 43 HB2 SER 43 -11.531 8.691 -9.468 295 HB3 SER 43 HB3 SER 43 -10.923 10.200 -8.789 296 HG SER 43 HG SER 43 -12.712 10.442 -10.272 297 H CYS 44 H CYS 44 -9.452 6.821 -9.937 298 HA CYS 44 HA CYS 44 -9.048 6.048 -12.646 299 HB2 CYS 44 HB2 CYS 44 -8.453 4.846 -10.355 300 HB3 CYS 44 HB3 CYS 44 -10.020 4.086 -10.617 301 H GLN 45 H GLN 45 -10.462 5.447 -14.176 302 HA GLN 45 HA GLN 45 -13.237 4.897 -13.428 303 HB2 GLN 45 HB2 GLN 45 -12.346 6.979 -15.422 304 HB3 GLN 45 HB3 GLN 45 -13.982 6.336 -15.371 305 HG2 GLN 45 HG2 GLN 45 -13.200 7.186 -12.754 306 HG3 GLN 45 HG3 GLN 45 -12.924 8.483 -13.915 307 HE21 GLN 45 HE21 GLN 45 -14.934 8.062 -11.735 308 HE22 GLN 45 HE22 GLN 45 -16.462 8.326 -12.495 309 H GLN 46 H GLN 46 -14.492 4.222 -15.504 310 HA GLN 46 HA GLN 46 -12.861 2.175 -16.802 311 HB2 GLN 46 HB2 GLN 46 -15.862 2.545 -16.809 312 HB3 GLN 46 HB3 GLN 46 -14.989 1.161 -17.451 313 HG2 GLN 46 HG2 GLN 46 -14.140 0.702 -15.168 314 HG3 GLN 46 HG3 GLN 46 -15.158 2.012 -14.571 315 HE21 GLN 46 HE21 GLN 46 -17.467 1.804 -14.873 316 HE22 GLN 46 HE22 GLN 46 -18.183 0.233 -14.890 317 HA PRO 47 HA PRO 47 -12.680 4.294 -20.652 318 HB2 PRO 47 HB2 PRO 47 -12.363 2.169 -22.311 319 HB3 PRO 47 HB3 PRO 47 -11.077 2.761 -21.252 320 HG2 PRO 47 HG2 PRO 47 -12.948 0.457 -20.858 321 HG3 PRO 47 HG3 PRO 47 -11.206 0.550 -20.540 322 HD2 PRO 47 HD2 PRO 47 -13.060 0.779 -18.580 323 HD3 PRO 47 HD3 PRO 47 -11.505 1.634 -18.527 324 H LYS 48 H LYS 48 -13.688 4.266 -22.862 325 HA LYS 48 HA LYS 48 -16.473 4.349 -22.692 326 HB2 LYS 48 HB2 LYS 48 -14.611 5.189 -24.511 327 HB3 LYS 48 HB3 LYS 48 -15.394 3.882 -25.389 328 HG2 LYS 48 HG2 LYS 48 -16.615 5.752 -26.000 329 HG3 LYS 48 HG3 LYS 48 -17.594 5.030 -24.721 330 HD2 LYS 48 HD2 LYS 48 -17.589 7.104 -23.854 331 HD3 LYS 48 HD3 LYS 48 -15.973 6.676 -23.287 332 HE2 LYS 48 HE2 LYS 48 -14.928 7.857 -24.998 333 HE3 LYS 48 HE3 LYS 48 -16.372 7.861 -26.009 334 HZ1 LYS 48 HZ1 LYS 48 -15.752 9.541 -23.667 335 HZ2 LYS 48 HZ2 LYS 48 -17.357 9.285 -24.132 336 HZ3 LYS 48 HZ3 LYS 48 -16.273 10.012 -25.207 337 H SER 49 H SER 49 -14.315 1.752 -23.559 338 HA SER 49 HA SER 49 -16.218 0.074 -24.816 339 HB2 SER 49 HB2 SER 49 -13.772 -0.226 -25.058 340 HB3 SER 49 HB3 SER 49 -13.678 -0.707 -23.363 341 HG SER 49 HG SER 49 -15.325 -2.033 -25.246 342 H HIS 50 H HIS 50 -14.832 -0.037 -21.531 343 HA HIS 50 HA HIS 50 -16.464 -2.088 -20.558 344 HB2 HIS 50 HB2 HIS 50 -14.528 -0.255 -19.496 345 HB3 HIS 50 HB3 HIS 50 -15.909 -0.335 -18.405 346 HD1 HIS 50 HD1 HIS 50 -15.899 -2.225 -16.803 347 HD2 HIS 50 HD2 HIS 50 -13.454 -2.955 -20.083 348 HE1 HIS 50 HE1 HIS 50 -14.750 -4.408 -16.313 349 H LYS 51 H LYS 51 -16.935 1.412 -20.603 350 HA LYS 51 HA LYS 51 -19.261 1.503 -19.032 351 HB2 LYS 51 HB2 LYS 51 -18.220 3.319 -21.204 352 HB3 LYS 51 HB3 LYS 51 -19.683 3.675 -20.293 353 HG2 LYS 51 HG2 LYS 51 -18.514 3.985 -18.302 354 HG3 LYS 51 HG3 LYS 51 -17.085 3.142 -18.902 355 HD2 LYS 51 HD2 LYS 51 -16.632 5.505 -18.853 356 HD3 LYS 51 HD3 LYS 51 -16.748 4.982 -20.535 357 HE2 LYS 51 HE2 LYS 51 -18.607 6.202 -20.918 358 HE3 LYS 51 HE3 LYS 51 -19.269 5.890 -19.315 359 HZ1 LYS 51 HZ1 LYS 51 -18.793 8.109 -19.186 360 HZ2 LYS 51 HZ2 LYS 51 -17.433 8.008 -20.186 361 HZ3 LYS 51 HZ3 LYS 51 -17.349 7.465 -18.586 362 H ILE 52 H ILE 52 -18.991 1.673 -22.588 363 HA ILE 52 HA ILE 52 -21.714 1.473 -23.139 364 HB ILE 52 HB ILE 52 -19.410 0.494 -24.829 365 HG12 ILE 52 HG12 ILE 52 -20.894 3.087 -25.170 366 HG13 ILE 52 HG13 ILE 52 -19.539 2.968 -24.051 367 HG21 ILE 52 HG21 ILE 52 -21.373 -0.492 -25.695 368 HG22 ILE 52 HG22 ILE 52 -22.307 0.985 -25.464 369 HG23 ILE 52 HG23 ILE 52 -21.056 0.919 -26.705 370 HD11 ILE 52 HD11 ILE 52 -19.548 3.223 -26.923 371 HD12 ILE 52 HD12 ILE 52 -18.231 3.447 -25.771 372 HD13 ILE 52 HD13 ILE 52 -18.592 1.838 -26.395 373 H ALA 53 H ALA 53 -19.261 -1.108 -23.066 374 HA ALA 53 HA ALA 53 -20.884 -3.259 -23.700 375 HB1 ALA 53 HB1 ALA 53 -19.229 -4.589 -22.272 376 HB2 ALA 53 HB2 ALA 53 -18.583 -3.673 -23.636 377 HB3 ALA 53 HB3 ALA 53 -18.425 -3.044 -21.996 378 H GLU 54 H GLU 54 -20.113 -1.998 -20.457 379 HA GLU 54 HA GLU 54 -21.653 -3.792 -18.985 380 HB2 GLU 54 HB2 GLU 54 -20.573 -1.061 -18.510 381 HB3 GLU 54 HB3 GLU 54 -21.817 -1.641 -17.412 382 HG2 GLU 54 HG2 GLU 54 -19.644 -3.540 -17.929 383 HG3 GLU 54 HG3 GLU 54 -19.166 -2.062 -17.097 384 H LYS 55 H LYS 55 -22.541 -0.686 -20.434 385 HA LYS 55 HA LYS 55 -25.122 -0.462 -19.399 386 HB2 LYS 55 HB2 LYS 55 -23.543 0.832 -21.408 387 HB3 LYS 55 HB3 LYS 55 -25.154 0.541 -22.052 388 HG2 LYS 55 HG2 LYS 55 -25.371 2.623 -21.093 389 HG3 LYS 55 HG3 LYS 55 -25.967 1.560 -19.816 390 HD2 LYS 55 HD2 LYS 55 -23.635 1.599 -18.856 391 HD3 LYS 55 HD3 LYS 55 -23.266 2.881 -20.012 392 HE2 LYS 55 HE2 LYS 55 -25.609 3.746 -18.868 393 HE3 LYS 55 HE3 LYS 55 -24.779 2.977 -17.517 394 HZ1 LYS 55 HZ1 LYS 55 -23.809 4.984 -17.362 395 HZ2 LYS 55 HZ2 LYS 55 -24.098 5.390 -18.977 396 HZ3 LYS 55 HZ3 LYS 55 -22.793 4.391 -18.577 397 H ILE 56 H ILE 56 -24.091 -1.848 -22.517 398 HA ILE 56 HA ILE 56 -26.598 -2.681 -23.398 399 HB ILE 56 HB ILE 56 -23.930 -3.996 -23.924 400 HG12 ILE 56 HG12 ILE 56 -23.937 -1.637 -24.554 401 HG13 ILE 56 HG13 ILE 56 -23.946 -2.650 -25.994 402 HG21 ILE 56 HG21 ILE 56 -25.525 -5.558 -24.600 403 HG22 ILE 56 HG22 ILE 56 -26.634 -4.315 -25.176 404 HG23 ILE 56 HG23 ILE 56 -25.159 -4.666 -26.077 405 HD11 ILE 56 HD11 ILE 56 -25.915 -0.722 -25.035 406 HD12 ILE 56 HD12 ILE 56 -25.593 -1.308 -26.668 407 HD13 ILE 56 HD13 ILE 56 -26.606 -2.253 -25.575 408 H ILE 57 H ILE 57 -24.160 -4.484 -21.540 409 HA ILE 57 HA ILE 57 -25.526 -6.906 -21.351 410 HB ILE 57 HB ILE 57 -23.670 -5.666 -19.316 411 HG12 ILE 57 HG12 ILE 57 -22.929 -7.780 -21.314 412 HG13 ILE 57 HG13 ILE 57 -22.917 -6.081 -21.778 413 HG21 ILE 57 HG21 ILE 57 -23.330 -8.330 -19.066 414 HG22 ILE 57 HG22 ILE 57 -24.423 -7.378 -18.063 415 HG23 ILE 57 HG23 ILE 57 -25.048 -8.261 -19.456 416 HD11 ILE 57 HD11 ILE 57 -20.773 -6.245 -21.111 417 HD12 ILE 57 HD12 ILE 57 -21.485 -5.925 -19.529 418 HD13 ILE 57 HD13 ILE 57 -21.101 -7.579 -20.006 419 H ASP 58 H ASP 58 -25.594 -4.098 -19.176 420 HA ASP 58 HA ASP 58 -27.325 -5.179 -17.254 421 HB2 ASP 58 HB2 ASP 58 -26.791 -2.328 -18.092 422 HB3 ASP 58 HB3 ASP 58 -27.837 -2.746 -16.738 423 H LYS 59 H LYS 59 -28.028 -3.139 -20.083 424 HA LYS 59 HA LYS 59 -30.822 -3.079 -19.724 425 HB2 LYS 59 HB2 LYS 59 -28.913 -2.344 -21.835 426 HB3 LYS 59 HB3 LYS 59 -30.507 -2.793 -22.427 427 HG2 LYS 59 HG2 LYS 59 -30.334 -0.875 -20.164 428 HG3 LYS 59 HG3 LYS 59 -29.923 -0.311 -21.786 429 HD2 LYS 59 HD2 LYS 59 -32.423 -1.880 -21.474 430 HD3 LYS 59 HD3 LYS 59 -32.410 -0.235 -20.833 431 HE2 LYS 59 HE2 LYS 59 -32.577 0.632 -22.875 432 HE3 LYS 59 HE3 LYS 59 -31.216 -0.325 -23.455 433 HZ1 LYS 59 HZ1 LYS 59 -33.826 -0.620 -24.195 434 HZ2 LYS 59 HZ2 LYS 59 -33.578 -1.897 -23.115 435 HZ3 LYS 59 HZ3 LYS 59 -32.582 -1.733 -24.472 436 H ALA 60 H ALA 60 -28.684 -5.405 -21.197 437 HA ALA 60 HA ALA 60 -30.655 -6.837 -22.658 438 HB1 ALA 60 HB1 ALA 60 -28.984 -8.516 -22.971 439 HB2 ALA 60 HB2 ALA 60 -28.196 -6.941 -23.077 440 HB3 ALA 60 HB3 ALA 60 -28.041 -7.907 -21.609 441 H LYS 61 H LYS 61 -28.987 -7.620 -19.601 442 HA LYS 61 HA LYS 61 -30.650 -9.826 -18.990 443 HB2 LYS 61 HB2 LYS 61 -29.037 -8.149 -17.063 444 HB3 LYS 61 HB3 LYS 61 -29.601 -9.795 -16.807 445 HG2 LYS 61 HG2 LYS 61 -28.134 -10.620 -18.524 446 HG3 LYS 61 HG3 LYS 61 -27.649 -8.976 -18.949 447 HD2 LYS 61 HD2 LYS 61 -25.898 -9.732 -17.609 448 HD3 LYS 61 HD3 LYS 61 -26.893 -8.795 -16.492 449 HE2 LYS 61 HE2 LYS 61 -28.036 -11.045 -15.971 450 HE3 LYS 61 HE3 LYS 61 -26.627 -11.772 -16.742 451 HZ1 LYS 61 HZ1 LYS 61 -26.418 -11.561 -14.310 452 HZ2 LYS 61 HZ2 LYS 61 -26.493 -9.878 -14.460 453 HZ3 LYS 61 HZ3 LYS 61 -25.202 -10.731 -15.145 454 H THR 62 H THR 62 -30.575 -6.507 -17.700 455 HA THR 62 HA THR 62 -32.177 -5.218 -16.722 456 HB THR 62 HB THR 62 -34.349 -7.075 -17.613 457 HG1 THR 62 HG1 THR 62 -33.226 -7.024 -19.485 458 HG21 THR 62 HG21 THR 62 -34.013 -4.222 -16.963 459 HG22 THR 62 HG22 THR 62 -35.423 -5.267 -16.787 460 HG23 THR 62 HG23 THR 62 -35.040 -4.560 -18.356 461 H THR 63 H THR 63 -31.158 -7.880 -15.530 462 HA THR 63 HA THR 63 -33.286 -8.399 -13.590 463 HB THR 63 HB THR 63 -30.643 -9.820 -13.592 464 HG1 THR 63 HG1 THR 63 -31.484 -9.873 -15.755 465 HG21 THR 63 HG21 THR 63 -32.634 -11.640 -13.142 466 HG22 THR 63 HG22 THR 63 -33.306 -10.177 -12.422 467 HG23 THR 63 HG23 THR 63 -31.742 -10.787 -11.884 468 H LEU 64 H LEU 64 -30.056 -7.061 -13.830 469 HA LEU 64 HA LEU 64 -29.949 -6.636 -10.938 470 HB2 LEU 64 HB2 LEU 64 -27.952 -6.476 -13.157 471 HB3 LEU 64 HB3 LEU 64 -27.646 -5.644 -11.633 472 HG LEU 64 HG LEU 64 -28.082 -8.613 -11.962 473 HD11 LEU 64 HD11 LEU 64 -25.944 -8.622 -12.585 474 HD12 LEU 64 HD12 LEU 64 -25.566 -8.168 -10.924 475 HD13 LEU 64 HD13 LEU 64 -25.729 -6.924 -12.163 476 HD21 LEU 64 HD21 LEU 64 -28.877 -7.971 -9.820 477 HD22 LEU 64 HD22 LEU 64 -27.505 -6.894 -9.558 478 HD23 LEU 64 HD23 LEU 64 -27.262 -8.641 -9.584 Start of MODEL 10 1 H1 ALA 1 H ALA 1 -1.977 -7.348 -0.853 2 HA ALA 1 HA ALA 1 -3.807 -8.708 -2.715 3 HB1 ALA 1 HB1 ALA 1 -5.390 -8.309 -0.538 4 HB2 ALA 1 HB2 ALA 1 -4.584 -9.827 -0.933 5 HB3 ALA 1 HB3 ALA 1 -3.846 -8.710 0.215 6 H LYS 2 H LYS 2 -4.930 -7.321 -3.901 7 HA LYS 2 HA LYS 2 -5.809 -5.374 -4.693 8 HB2 LYS 2 HB2 LYS 2 -6.522 -5.197 -1.768 9 HB3 LYS 2 HB3 LYS 2 -7.084 -4.024 -2.951 10 HG2 LYS 2 HG2 LYS 2 -7.968 -6.094 -4.225 11 HG3 LYS 2 HG3 LYS 2 -7.794 -6.912 -2.671 12 HD2 LYS 2 HD2 LYS 2 -9.121 -4.315 -2.485 13 HD3 LYS 2 HD3 LYS 2 -9.989 -5.480 -3.487 14 HE2 LYS 2 HE2 LYS 2 -10.622 -6.669 -1.709 15 HE3 LYS 2 HE3 LYS 2 -8.989 -6.679 -1.044 16 HZ1 LYS 2 HZ1 LYS 2 -10.619 -5.573 0.405 17 HZ2 LYS 2 HZ2 LYS 2 -10.891 -4.414 -0.795 18 HZ3 LYS 2 HZ3 LYS 2 -9.369 -4.537 -0.068 19 H ALA 3 H ALA 3 -3.027 -5.306 -4.097 20 HA ALA 3 HA ALA 3 -2.510 -2.718 -2.883 21 HB1 ALA 3 HB1 ALA 3 -0.627 -4.730 -4.107 22 HB2 ALA 3 HB2 ALA 3 -0.144 -3.259 -3.264 23 HB3 ALA 3 HB3 ALA 3 -0.984 -4.539 -2.391 24 H CYS 4 H CYS 4 -4.082 -2.779 -5.312 25 HA CYS 4 HA CYS 4 -2.275 -1.272 -7.089 26 HB2 CYS 4 HB2 CYS 4 -3.631 -2.009 -8.992 27 HB3 CYS 4 HB3 CYS 4 -2.960 -3.389 -8.128 28 H THR 5 H THR 5 -3.961 -0.070 -8.761 29 HA THR 5 HA THR 5 -5.621 1.595 -6.988 30 HB THR 5 HB THR 5 -4.499 2.390 -9.678 31 HG1 THR 5 HG1 THR 5 -2.913 1.958 -7.922 32 HG21 THR 5 HG21 THR 5 -4.974 4.681 -8.827 33 HG22 THR 5 HG22 THR 5 -5.765 3.955 -7.428 34 HG23 THR 5 HG23 THR 5 -6.421 3.697 -9.044 35 HA PRO 6 HA PRO 6 -8.675 -0.573 -9.669 36 HB2 PRO 6 HB2 PRO 6 -10.577 -0.726 -7.737 37 HB3 PRO 6 HB3 PRO 6 -9.282 -1.917 -7.907 38 HG2 PRO 6 HG2 PRO 6 -9.483 0.406 -6.032 39 HG3 PRO 6 HG3 PRO 6 -8.930 -1.247 -5.709 40 HD2 PRO 6 HD2 PRO 6 -7.216 0.814 -6.098 41 HD3 PRO 6 HD3 PRO 6 -6.835 -0.851 -6.585 42 H LEU 7 H LEU 7 -11.223 0.015 -9.616 43 HA LEU 7 HA LEU 7 -11.390 2.664 -10.573 44 HB2 LEU 7 HB2 LEU 7 -12.859 0.516 -11.002 45 HB3 LEU 7 HB3 LEU 7 -13.831 1.199 -9.700 46 HG LEU 7 HG LEU 7 -13.947 3.319 -11.093 47 HD11 LEU 7 HD11 LEU 7 -13.576 3.066 -13.490 48 HD12 LEU 7 HD12 LEU 7 -12.954 1.437 -13.230 49 HD13 LEU 7 HD13 LEU 7 -12.082 2.828 -12.586 50 HD21 LEU 7 HD21 LEU 7 -15.238 1.159 -12.650 51 HD22 LEU 7 HD22 LEU 7 -15.926 2.628 -11.958 52 HD23 LEU 7 HD23 LEU 7 -15.604 1.233 -10.927 53 H LEU 8 H LEU 8 -12.295 4.507 -9.707 54 HA LEU 8 HA LEU 8 -12.940 6.004 -8.120 55 HB2 LEU 8 HB2 LEU 8 -13.796 3.712 -6.386 56 HB3 LEU 8 HB3 LEU 8 -14.442 5.351 -6.437 57 HG LEU 8 HG LEU 8 -14.798 3.260 -8.584 58 HD11 LEU 8 HD11 LEU 8 -17.270 3.814 -7.657 59 HD12 LEU 8 HD12 LEU 8 -16.329 3.960 -6.174 60 HD13 LEU 8 HD13 LEU 8 -16.285 2.461 -7.100 61 HD21 LEU 8 HD21 LEU 8 -16.564 4.952 -9.326 62 HD22 LEU 8 HD22 LEU 8 -14.877 5.334 -9.665 63 HD23 LEU 8 HD23 LEU 8 -15.701 6.110 -8.312 64 H HIS 9 H HIS 9 -10.321 5.508 -8.131 65 HA HIS 9 HA HIS 9 -9.618 5.773 -5.313 66 HB2 HIS 9 HB2 HIS 9 -8.702 3.589 -7.109 67 HB3 HIS 9 HB3 HIS 9 -7.500 4.308 -6.043 68 HD1 HIS 9 HD1 HIS 9 -7.403 3.369 -3.750 69 HD2 HIS 9 HD2 HIS 9 -11.044 2.597 -5.594 70 HE1 HIS 9 HE1 HIS 9 -8.661 1.886 -2.157 71 H ASP 10 H ASP 10 -7.346 6.565 -5.051 72 HA ASP 10 HA ASP 10 -6.920 8.810 -6.731 73 HB2 ASP 10 HB2 ASP 10 -6.031 7.949 -4.203 74 HB3 ASP 10 HB3 ASP 10 -4.580 8.143 -5.182 75 H CYS 11 H CYS 11 -6.225 8.618 -8.757 76 HA CYS 11 HA CYS 11 -4.105 6.659 -9.338 77 HB2 CYS 11 HB2 CYS 11 -4.902 6.517 -11.565 78 HB3 CYS 11 HB3 CYS 11 -6.339 6.477 -10.549 79 H SER 12 H SER 12 -4.245 9.698 -8.482 80 HA SER 12 HA SER 12 -3.160 11.312 -10.429 81 HB2 SER 12 HB2 SER 12 -3.496 12.597 -8.591 82 HB3 SER 12 HB3 SER 12 -3.138 11.274 -7.481 83 HG SER 12 HG SER 12 -1.403 12.483 -7.200 84 H HIS 13 H HIS 13 -1.412 9.193 -8.171 85 HA HIS 13 HA HIS 13 1.067 9.660 -9.644 86 HB2 HIS 13 HB2 HIS 13 0.403 8.443 -6.985 87 HB3 HIS 13 HB3 HIS 13 1.946 8.083 -7.752 88 HD1 HIS 13 HD1 HIS 13 3.583 10.122 -8.106 89 HD2 HIS 13 HD2 HIS 13 0.220 10.928 -5.803 90 HE1 HIS 13 HE1 HIS 13 4.073 12.294 -6.937 91 H ASP 14 H ASP 14 -1.317 8.005 -10.558 92 HA ASP 14 HA ASP 14 0.264 5.779 -11.550 93 HB2 ASP 14 HB2 ASP 14 -2.067 5.478 -9.706 94 HB3 ASP 14 HB3 ASP 14 -1.861 4.300 -10.999 95 H ARG 15 H ARG 15 0.080 6.454 -13.633 96 HA ARG 15 HA ARG 15 -2.378 7.386 -14.755 97 HB2 ARG 15 HB2 ARG 15 0.192 6.521 -16.093 98 HB3 ARG 15 HB3 ARG 15 -1.145 7.328 -16.902 99 HG2 ARG 15 HG2 ARG 15 -0.731 9.348 -15.862 100 HG3 ARG 15 HG3 ARG 15 0.148 8.597 -14.529 101 HD2 ARG 15 HD2 ARG 15 1.103 8.789 -17.384 102 HD3 ARG 15 HD3 ARG 15 1.646 9.804 -16.049 103 HE ARG 15 HE ARG 15 2.079 7.181 -15.278 104 HH11 ARG 15 HH11 ARG 15 3.159 9.335 -17.791 105 HH12 ARG 15 HH12 ARG 15 4.710 8.579 -17.953 106 HH21 ARG 15 HH21 ARG 15 4.116 6.177 -15.482 107 HH22 ARG 15 HH22 ARG 15 5.253 6.783 -16.638 108 H HIS 16 H HIS 16 -0.399 4.675 -15.933 109 HA HIS 16 HA HIS 16 -2.886 3.242 -16.559 110 HB2 HIS 16 HB2 HIS 16 -0.179 3.331 -17.792 111 HB3 HIS 16 HB3 HIS 16 -1.056 1.806 -17.877 112 HD1 HIS 16 HD1 HIS 16 -0.770 2.652 -20.537 113 HD2 HIS 16 HD2 HIS 16 -3.642 4.487 -18.162 114 HE1 HIS 16 HE1 HIS 16 -2.389 3.716 -22.141 115 H SER 17 H SER 17 -1.492 3.370 -13.917 116 HA SER 17 HA SER 17 -0.521 0.652 -13.553 117 HB2 SER 17 HB2 SER 17 -0.507 3.152 -11.939 118 HB3 SER 17 HB3 SER 17 -0.488 1.625 -11.059 119 HG SER 17 HG SER 17 1.624 2.325 -11.519 120 H CYS 18 H CYS 18 -3.465 2.249 -13.495 121 HA CYS 18 HA CYS 18 -4.851 1.230 -11.341 122 HB2 CYS 18 HB2 CYS 18 -5.618 2.034 -14.107 123 HB3 CYS 18 HB3 CYS 18 -6.808 1.167 -13.142 124 H CYS 19 H CYS 19 -6.338 -0.561 -11.160 125 HA CYS 19 HA CYS 19 -5.163 -3.025 -11.921 126 HB2 CYS 19 HB2 CYS 19 -7.979 -2.647 -10.901 127 HB3 CYS 19 HB3 CYS 19 -6.957 -4.071 -10.739 128 H ARG 20 H ARG 20 -6.066 -4.693 -13.233 129 HA ARG 20 HA ARG 20 -7.204 -3.681 -15.678 130 HB2 ARG 20 HB2 ARG 20 -5.451 -5.396 -15.727 131 HB3 ARG 20 HB3 ARG 20 -6.502 -6.505 -14.854 132 HG2 ARG 20 HG2 ARG 20 -7.756 -6.978 -16.682 133 HG3 ARG 20 HG3 ARG 20 -7.536 -5.375 -17.387 134 HD2 ARG 20 HD2 ARG 20 -4.992 -6.573 -17.312 135 HD3 ARG 20 HD3 ARG 20 -6.104 -7.804 -17.911 136 HE ARG 20 HE ARG 20 -5.205 -5.502 -19.310 137 HH11 ARG 20 HH11 ARG 20 -7.973 -7.566 -18.866 138 HH12 ARG 20 HH12 ARG 20 -8.630 -7.240 -20.435 139 HH21 ARG 20 HH21 ARG 20 -6.061 -5.065 -21.379 140 HH22 ARG 20 HH22 ARG 20 -7.541 -5.818 -21.864 141 H GLY 21 H GLY 21 -9.147 -4.431 -16.660 142 HA2 GLY 21 HA2 GLY 21 -11.209 -5.084 -14.672 143 HA3 GLY 21 HA3 GLY 21 -11.494 -4.350 -16.243 144 H ASP 22 H ASP 22 -13.192 -6.159 -16.039 145 HA ASP 22 HA ASP 22 -12.318 -8.845 -16.471 146 HB2 ASP 22 HB2 ASP 22 -14.846 -7.447 -16.137 147 HB3 ASP 22 HB3 ASP 22 -14.943 -8.677 -17.394 148 H MET 23 H MET 23 -13.233 -6.162 -18.533 149 HA MET 23 HA MET 23 -12.828 -7.858 -20.902 150 HB2 MET 23 HB2 MET 23 -14.201 -5.178 -20.628 151 HB3 MET 23 HB3 MET 23 -13.969 -6.031 -22.148 152 HG2 MET 23 HG2 MET 23 -16.080 -6.697 -21.676 153 HG3 MET 23 HG3 MET 23 -15.192 -7.967 -20.836 154 HE1 MET 23 HE1 MET 23 -17.436 -8.381 -19.990 155 HE2 MET 23 HE2 MET 23 -17.836 -7.901 -18.341 156 HE3 MET 23 HE3 MET 23 -18.499 -7.003 -19.706 157 H PHE 24 H PHE 24 -12.111 -4.583 -19.689 158 HA PHE 24 HA PHE 24 -9.479 -4.747 -20.943 159 HB2 PHE 24 HB2 PHE 24 -11.205 -2.303 -21.324 160 HB3 PHE 24 HB3 PHE 24 -9.663 -2.669 -22.092 161 HD1 PHE 24 HD2 PHE 24 -9.531 -4.224 -23.941 162 HD2 PHE 24 HD1 PHE 24 -13.256 -3.311 -22.095 163 HE1 PHE 24 HE2 PHE 24 -10.719 -5.223 -25.851 164 HE2 PHE 24 HE1 PHE 24 -14.449 -4.309 -24.000 165 HZ PHE 24 HZ PHE 24 -13.181 -5.267 -25.882 166 H LYS 25 H LYS 25 -8.066 -2.901 -20.246 167 HA LYS 25 HA LYS 25 -8.149 -2.672 -17.412 168 HB2 LYS 25 HB2 LYS 25 -6.141 -2.599 -19.155 169 HB3 LYS 25 HB3 LYS 25 -6.418 -0.867 -19.036 170 HG2 LYS 25 HG2 LYS 25 -6.388 -1.601 -16.413 171 HG3 LYS 25 HG3 LYS 25 -5.218 -2.718 -17.119 172 HD2 LYS 25 HD2 LYS 25 -5.070 0.161 -17.867 173 HD3 LYS 25 HD3 LYS 25 -4.496 -0.325 -16.270 174 HE2 LYS 25 HE2 LYS 25 -2.769 -1.574 -17.122 175 HE3 LYS 25 HE3 LYS 25 -3.600 -1.881 -18.646 176 HZ1 LYS 25 HZ1 LYS 25 -3.047 0.894 -18.262 177 HZ2 LYS 25 HZ2 LYS 25 -2.662 -0.108 -19.568 178 HZ3 LYS 25 HZ3 LYS 25 -1.634 -0.036 -18.226 179 H TYR 26 H TYR 26 -8.105 -0.640 -16.209 180 HA TYR 26 HA TYR 26 -10.213 1.126 -17.125 181 HB2 TYR 26 HB2 TYR 26 -8.673 1.051 -14.522 182 HB3 TYR 26 HB3 TYR 26 -10.039 2.111 -14.855 183 HD1 TYR 26 HD1 TYR 26 -11.982 0.421 -16.139 184 HD2 TYR 26 HD2 TYR 26 -9.323 -0.514 -12.952 185 HE1 TYR 26 HE1 TYR 26 -13.530 -1.328 -15.369 186 HE2 TYR 26 HE2 TYR 26 -10.863 -2.267 -12.173 187 HH TYR 26 HH TYR 26 -13.902 -2.474 -12.846 188 H VAL 27 H VAL 27 -9.951 3.514 -16.763 189 HA VAL 27 HA VAL 27 -7.269 4.374 -17.641 190 HB VAL 27 HB VAL 27 -8.682 4.771 -19.476 191 HG11 VAL 27 HG11 VAL 27 -10.816 4.375 -18.389 192 HG12 VAL 27 HG12 VAL 27 -10.696 5.921 -17.547 193 HG13 VAL 27 HG13 VAL 27 -10.867 5.883 -19.302 194 HG21 VAL 27 HG21 VAL 27 -8.835 7.418 -18.070 195 HG22 VAL 27 HG22 VAL 27 -7.294 6.735 -18.590 196 HG23 VAL 27 HG23 VAL 27 -8.548 7.088 -19.778 197 H CYS 28 H CYS 28 -6.447 6.321 -16.834 198 HA CYS 28 HA CYS 28 -7.584 7.102 -14.255 199 HB2 CYS 28 HB2 CYS 28 -5.255 6.514 -14.170 200 HB3 CYS 28 HB3 CYS 28 -4.880 7.588 -15.513 201 H ASP 29 H ASP 29 -8.873 8.808 -14.187 202 HA ASP 29 HA ASP 29 -8.696 10.841 -16.279 203 HB2 ASP 29 HB2 ASP 29 -10.805 9.983 -14.349 204 HB3 ASP 29 HB3 ASP 29 -10.836 11.644 -14.936 205 H CYS 30 H CYS 30 -8.687 13.097 -15.759 206 HA CYS 30 HA CYS 30 -7.824 13.787 -13.048 207 HB2 CYS 30 HB2 CYS 30 -6.296 14.370 -15.584 208 HB3 CYS 30 HB3 CYS 30 -6.039 15.272 -14.093 209 H PHE 31 H PHE 31 -8.511 15.751 -12.352 210 HA PHE 31 HA PHE 31 -9.583 17.667 -14.272 211 HB2 PHE 31 HB2 PHE 31 -11.197 16.200 -12.220 212 HB3 PHE 31 HB3 PHE 31 -11.620 17.861 -12.622 213 HD1 PHE 31 HD2 PHE 31 -11.972 18.394 -15.120 214 HD2 PHE 31 HD1 PHE 31 -11.997 14.454 -13.508 215 HE1 PHE 31 HE2 PHE 31 -13.219 17.601 -17.086 216 HE2 PHE 31 HE1 PHE 31 -13.243 13.655 -15.473 217 HZ PHE 31 HZ PHE 31 -13.858 15.229 -17.265 218 H TYR 32 H TYR 32 -10.491 19.635 -12.917 219 HA TYR 32 HA TYR 32 -8.870 20.113 -10.535 220 HB2 TYR 32 HB2 TYR 32 -8.882 22.192 -12.701 221 HB3 TYR 32 HB3 TYR 32 -7.772 22.011 -11.347 222 HD1 TYR 32 HD1 TYR 32 -8.661 20.758 -14.692 223 HD2 TYR 32 HD2 TYR 32 -5.859 20.570 -11.495 224 HE1 TYR 32 HE1 TYR 32 -7.081 19.568 -16.154 225 HE2 TYR 32 HE2 TYR 32 -4.271 19.380 -12.950 226 HH TYR 32 HH TYR 32 -3.796 18.981 -15.220 227 HA PRO 33 HA PRO 33 -12.429 22.246 -9.102 228 HB2 PRO 33 HB2 PRO 33 -11.303 24.081 -7.448 229 HB3 PRO 33 HB3 PRO 33 -11.387 22.358 -7.058 230 HG2 PRO 33 HG2 PRO 33 -9.099 23.941 -8.165 231 HG3 PRO 33 HG3 PRO 33 -9.091 22.699 -6.899 232 HD2 PRO 33 HD2 PRO 33 -8.346 22.183 -9.450 233 HD3 PRO 33 HD3 PRO 33 -9.131 20.969 -8.421 234 H GLU 34 H GLU 34 -12.628 23.099 -11.409 235 HA GLU 34 HA GLU 34 -13.068 24.807 -12.847 236 HB2 GLU 34 HB2 GLU 34 -13.368 26.121 -10.168 237 HB3 GLU 34 HB3 GLU 34 -13.516 27.075 -11.637 238 HG2 GLU 34 HG2 GLU 34 -15.111 24.572 -11.307 239 HG3 GLU 34 HG3 GLU 34 -15.631 26.071 -10.539 240 H GLY 35 H GLY 35 -10.257 24.247 -11.966 241 HA2 GLY 35 HA2 GLY 35 -8.917 26.113 -13.526 242 HA3 GLY 35 HA3 GLY 35 -8.827 26.697 -11.871 243 H GLU 36 H GLU 36 -7.049 25.202 -14.060 244 HA GLU 36 HA GLU 36 -6.057 22.956 -12.576 245 HB2 GLU 36 HB2 GLU 36 -4.291 22.905 -14.336 246 HB3 GLU 36 HB3 GLU 36 -5.929 22.871 -14.973 247 HG2 GLU 36 HG2 GLU 36 -5.444 24.597 -16.258 248 HG3 GLU 36 HG3 GLU 36 -5.179 25.578 -14.819 249 H ASP 37 H ASP 37 -5.638 26.263 -12.311 250 HA ASP 37 HA ASP 37 -2.881 26.180 -11.417 251 HB2 ASP 37 HB2 ASP 37 -4.839 28.479 -11.278 252 HB3 ASP 37 HB3 ASP 37 -3.088 28.569 -11.113 253 H LYS 38 H LYS 38 -5.586 25.105 -10.072 254 HA LYS 38 HA LYS 38 -5.018 26.143 -7.383 255 HB2 LYS 38 HB2 LYS 38 -7.440 24.939 -8.666 256 HB3 LYS 38 HB3 LYS 38 -7.248 24.831 -6.921 257 HG2 LYS 38 HG2 LYS 38 -6.936 27.482 -8.238 258 HG3 LYS 38 HG3 LYS 38 -8.555 26.817 -8.017 259 HD2 LYS 38 HD2 LYS 38 -8.447 26.955 -5.732 260 HD3 LYS 38 HD3 LYS 38 -6.691 26.791 -5.697 261 HE2 LYS 38 HE2 LYS 38 -7.140 29.165 -7.067 262 HE3 LYS 38 HE3 LYS 38 -8.332 29.178 -5.768 263 HZ1 LYS 38 HZ1 LYS 38 -5.495 28.546 -5.240 264 HZ2 LYS 38 HZ2 LYS 38 -6.680 29.069 -4.152 265 HZ3 LYS 38 HZ3 LYS 38 -6.041 30.147 -5.290 266 H THR 39 H THR 39 -6.337 23.040 -8.506 267 HA THR 39 HA THR 39 -4.070 21.587 -7.439 268 HB THR 39 HB THR 39 -6.812 21.119 -6.254 269 HG1 THR 39 HG1 THR 39 -6.089 22.179 -4.482 270 HG21 THR 39 HG21 THR 39 -5.970 19.104 -5.774 271 HG22 THR 39 HG22 THR 39 -4.864 19.927 -4.673 272 HG23 THR 39 HG23 THR 39 -4.361 19.570 -6.325 273 H GLU 40 H GLU 40 -3.903 19.503 -8.234 274 HA GLU 40 HA GLU 40 -5.758 18.868 -10.412 275 HB2 GLU 40 HB2 GLU 40 -3.953 17.246 -11.094 276 HB3 GLU 40 HB3 GLU 40 -3.501 18.944 -11.158 277 HG2 GLU 40 HG2 GLU 40 -1.870 18.674 -9.673 278 HG3 GLU 40 HG3 GLU 40 -2.894 17.728 -8.593 279 H VAL 41 H VAL 41 -7.318 17.464 -9.990 280 HA VAL 41 HA VAL 41 -6.823 15.357 -7.988 281 HB VAL 41 HB VAL 41 -9.527 16.365 -8.868 282 HG11 VAL 41 HG11 VAL 41 -8.753 14.848 -6.384 283 HG12 VAL 41 HG12 VAL 41 -10.378 15.185 -6.984 284 HG13 VAL 41 HG13 VAL 41 -9.325 14.074 -7.861 285 HG21 VAL 41 HG21 VAL 41 -9.162 17.236 -6.286 286 HG22 VAL 41 HG22 VAL 41 -7.592 17.542 -7.032 287 HG23 VAL 41 HG23 VAL 41 -9.054 18.235 -7.735 288 H CYS 42 H CYS 42 -6.501 13.421 -8.843 289 HA CYS 42 HA CYS 42 -7.900 12.732 -11.344 290 HB2 CYS 42 HB2 CYS 42 -5.276 11.602 -10.352 291 HB3 CYS 42 HB3 CYS 42 -6.045 11.270 -11.900 292 H SER 43 H SER 43 -8.720 10.620 -11.567 293 HA SER 43 HA SER 43 -8.674 8.851 -9.264 294 HB2 SER 43 HB2 SER 43 -11.285 8.716 -9.508 295 HB3 SER 43 HB3 SER 43 -10.559 9.990 -8.528 296 HG SER 43 HG SER 43 -11.502 11.345 -9.811 297 H CYS 44 H CYS 44 -9.283 6.718 -9.739 298 HA CYS 44 HA CYS 44 -8.845 5.939 -12.451 299 HB2 CYS 44 HB2 CYS 44 -8.328 4.701 -10.166 300 HB3 CYS 44 HB3 CYS 44 -9.930 4.022 -10.435 301 H GLN 45 H GLN 45 -10.277 5.570 -14.017 302 HA GLN 45 HA GLN 45 -13.064 5.009 -13.323 303 HB2 GLN 45 HB2 GLN 45 -12.148 7.225 -15.157 304 HB3 GLN 45 HB3 GLN 45 -13.799 6.624 -15.106 305 HG2 GLN 45 HG2 GLN 45 -12.686 7.389 -12.505 306 HG3 GLN 45 HG3 GLN 45 -12.869 8.710 -13.658 307 HE21 GLN 45 HE21 GLN 45 -14.631 5.969 -12.275 308 HE22 GLN 45 HE22 GLN 45 -16.174 6.744 -12.261 309 H GLN 46 H GLN 46 -14.297 4.670 -15.559 310 HA GLN 46 HA GLN 46 -12.746 2.622 -16.952 311 HB2 GLN 46 HB2 GLN 46 -14.991 1.978 -17.895 312 HB3 GLN 46 HB3 GLN 46 -14.842 1.825 -16.149 313 HG2 GLN 46 HG2 GLN 46 -15.903 4.382 -17.186 314 HG3 GLN 46 HG3 GLN 46 -16.936 2.960 -17.331 315 HE21 GLN 46 HE21 GLN 46 -18.387 3.951 -15.864 316 HE22 GLN 46 HE22 GLN 46 -18.074 3.943 -14.165 317 HA PRO 47 HA PRO 47 -12.211 5.019 -20.598 318 HB2 PRO 47 HB2 PRO 47 -12.046 3.028 -22.437 319 HB3 PRO 47 HB3 PRO 47 -10.751 3.383 -21.287 320 HG2 PRO 47 HG2 PRO 47 -12.863 1.265 -21.168 321 HG3 PRO 47 HG3 PRO 47 -11.136 1.145 -20.787 322 HD2 PRO 47 HD2 PRO 47 -13.034 1.393 -18.873 323 HD3 PRO 47 HD3 PRO 47 -11.403 2.070 -18.694 324 H LYS 48 H LYS 48 -13.163 5.434 -22.737 325 HA LYS 48 HA LYS 48 -15.916 5.738 -22.671 326 HB2 LYS 48 HB2 LYS 48 -13.817 6.348 -24.464 327 HB3 LYS 48 HB3 LYS 48 -15.046 5.507 -25.398 328 HG2 LYS 48 HG2 LYS 48 -16.703 7.111 -24.806 329 HG3 LYS 48 HG3 LYS 48 -15.629 7.869 -23.628 330 HD2 LYS 48 HD2 LYS 48 -14.658 9.132 -25.193 331 HD3 LYS 48 HD3 LYS 48 -14.442 7.753 -26.275 332 HE2 LYS 48 HE2 LYS 48 -17.108 8.130 -26.485 333 HE3 LYS 48 HE3 LYS 48 -16.578 9.784 -26.184 334 HZ1 LYS 48 HZ1 LYS 48 -15.783 9.937 -28.235 335 HZ2 LYS 48 HZ2 LYS 48 -16.541 8.468 -28.588 336 HZ3 LYS 48 HZ3 LYS 48 -14.920 8.488 -28.103 337 H SER 49 H SER 49 -13.983 3.095 -23.946 338 HA SER 49 HA SER 49 -16.013 1.754 -25.355 339 HB2 SER 49 HB2 SER 49 -13.845 0.221 -23.973 340 HB3 SER 49 HB3 SER 49 -14.502 0.013 -25.595 341 HG SER 49 HG SER 49 -12.435 1.581 -24.732 342 H HIS 50 H HIS 50 -14.779 1.227 -22.055 343 HA HIS 50 HA HIS 50 -16.543 -0.813 -21.334 344 HB2 HIS 50 HB2 HIS 50 -14.619 0.878 -20.016 345 HB3 HIS 50 HB3 HIS 50 -16.055 0.705 -19.011 346 HD1 HIS 50 HD1 HIS 50 -16.351 -1.475 -17.795 347 HD2 HIS 50 HD2 HIS 50 -13.326 -1.624 -20.638 348 HE1 HIS 50 HE1 HIS 50 -15.192 -3.676 -17.428 349 H LYS 51 H LYS 51 -16.859 2.701 -21.032 350 HA LYS 51 HA LYS 51 -19.257 2.775 -19.603 351 HB2 LYS 51 HB2 LYS 51 -18.090 4.693 -21.620 352 HB3 LYS 51 HB3 LYS 51 -19.546 5.041 -20.698 353 HG2 LYS 51 HG2 LYS 51 -16.861 4.433 -19.482 354 HG3 LYS 51 HG3 LYS 51 -17.504 6.055 -19.748 355 HD2 LYS 51 HD2 LYS 51 -18.793 3.923 -18.044 356 HD3 LYS 51 HD3 LYS 51 -17.842 5.279 -17.435 357 HE2 LYS 51 HE2 LYS 51 -19.633 6.584 -18.982 358 HE3 LYS 51 HE3 LYS 51 -20.601 5.202 -18.472 359 HZ1 LYS 51 HZ1 LYS 51 -20.483 7.366 -17.036 360 HZ2 LYS 51 HZ2 LYS 51 -19.067 6.658 -16.443 361 HZ3 LYS 51 HZ3 LYS 51 -20.544 5.845 -16.299 362 H ILE 52 H ILE 52 -18.812 3.115 -23.129 363 HA ILE 52 HA ILE 52 -21.478 3.144 -23.862 364 HB ILE 52 HB ILE 52 -19.181 1.919 -25.393 365 HG12 ILE 52 HG12 ILE 52 -20.349 4.632 -25.898 366 HG13 ILE 52 HG13 ILE 52 -19.168 4.420 -24.610 367 HG21 ILE 52 HG21 ILE 52 -20.992 2.927 -27.208 368 HG22 ILE 52 HG22 ILE 52 -20.770 1.228 -26.797 369 HG23 ILE 52 HG23 ILE 52 -22.015 2.176 -25.984 370 HD11 ILE 52 HD11 ILE 52 -18.059 5.154 -26.603 371 HD12 ILE 52 HD12 ILE 52 -17.597 3.485 -26.269 372 HD13 ILE 52 HD13 ILE 52 -18.774 3.838 -27.533 373 H ALA 53 H ALA 53 -19.325 0.322 -23.594 374 HA ALA 53 HA ALA 53 -21.084 -1.664 -24.362 375 HB1 ALA 53 HB1 ALA 53 -18.729 -2.089 -23.968 376 HB2 ALA 53 HB2 ALA 53 -18.948 -1.814 -22.239 377 HB3 ALA 53 HB3 ALA 53 -19.718 -3.197 -23.017 378 H GLU 54 H GLU 54 -20.498 -0.494 -21.044 379 HA GLU 54 HA GLU 54 -22.373 -2.079 -19.744 380 HB2 GLU 54 HB2 GLU 54 -21.457 0.726 -19.087 381 HB3 GLU 54 HB3 GLU 54 -22.385 -0.294 -17.996 382 HG2 GLU 54 HG2 GLU 54 -19.953 -1.537 -19.053 383 HG3 GLU 54 HG3 GLU 54 -19.681 -0.119 -18.041 384 H LYS 55 H LYS 55 -22.777 1.142 -21.182 385 HA LYS 55 HA LYS 55 -25.425 1.591 -20.447 386 HB2 LYS 55 HB2 LYS 55 -23.785 2.509 -22.797 387 HB3 LYS 55 HB3 LYS 55 -25.464 2.998 -22.607 388 HG2 LYS 55 HG2 LYS 55 -25.020 4.350 -20.829 389 HG3 LYS 55 HG3 LYS 55 -23.636 3.387 -20.302 390 HD2 LYS 55 HD2 LYS 55 -22.551 5.225 -21.128 391 HD3 LYS 55 HD3 LYS 55 -22.617 4.233 -22.586 392 HE2 LYS 55 HE2 LYS 55 -23.715 5.861 -23.621 393 HE3 LYS 55 HE3 LYS 55 -25.032 5.694 -22.461 394 HZ1 LYS 55 HZ1 LYS 55 -22.777 7.182 -21.463 395 HZ2 LYS 55 HZ2 LYS 55 -24.427 7.550 -21.405 396 HZ3 LYS 55 HZ3 LYS 55 -23.529 7.909 -22.793 397 H ILE 56 H ILE 56 -24.146 0.077 -23.401 398 HA ILE 56 HA ILE 56 -26.585 -0.429 -24.656 399 HB ILE 56 HB ILE 56 -24.055 -2.076 -24.797 400 HG12 ILE 56 HG12 ILE 56 -24.970 -0.020 -26.795 401 HG13 ILE 56 HG13 ILE 56 -24.019 0.445 -25.389 402 HG21 ILE 56 HG21 ILE 56 -26.570 -2.070 -26.427 403 HG22 ILE 56 HG22 ILE 56 -25.036 -2.599 -27.115 404 HG23 ILE 56 HG23 ILE 56 -25.708 -3.435 -25.716 405 HD11 ILE 56 HD11 ILE 56 -23.016 -0.316 -27.806 406 HD12 ILE 56 HD12 ILE 56 -22.129 -0.329 -26.279 407 HD13 ILE 56 HD13 ILE 56 -22.897 -1.804 -26.867 408 H ILE 57 H ILE 57 -24.618 -2.713 -22.741 409 HA ILE 57 HA ILE 57 -26.376 -4.838 -22.699 410 HB ILE 57 HB ILE 57 -24.558 -3.963 -20.452 411 HG12 ILE 57 HG12 ILE 57 -23.405 -4.272 -22.619 412 HG13 ILE 57 HG13 ILE 57 -22.924 -5.481 -21.435 413 HG21 ILE 57 HG21 ILE 57 -26.266 -6.331 -20.865 414 HG22 ILE 57 HG22 ILE 57 -24.636 -6.640 -20.270 415 HG23 ILE 57 HG23 ILE 57 -25.714 -5.574 -19.371 416 HD11 ILE 57 HD11 ILE 57 -23.208 -6.527 -23.569 417 HD12 ILE 57 HD12 ILE 57 -24.496 -7.069 -22.492 418 HD13 ILE 57 HD13 ILE 57 -24.832 -5.858 -23.728 419 H ASP 58 H ASP 58 -26.135 -2.213 -20.302 420 HA ASP 58 HA ASP 58 -28.160 -2.990 -18.594 421 HB2 ASP 58 HB2 ASP 58 -27.336 -0.196 -19.408 422 HB3 ASP 58 HB3 ASP 58 -28.388 -0.561 -18.043 423 H LYS 59 H LYS 59 -28.430 -0.906 -21.465 424 HA LYS 59 HA LYS 59 -31.177 -0.435 -21.327 425 HB2 LYS 59 HB2 LYS 59 -29.538 0.727 -22.831 426 HB3 LYS 59 HB3 LYS 59 -29.547 -0.701 -23.857 427 HG2 LYS 59 HG2 LYS 59 -31.538 -0.200 -24.763 428 HG3 LYS 59 HG3 LYS 59 -32.196 0.412 -23.244 429 HD2 LYS 59 HD2 LYS 59 -30.072 1.979 -24.631 430 HD3 LYS 59 HD3 LYS 59 -31.718 2.029 -25.265 431 HE2 LYS 59 HE2 LYS 59 -32.176 2.400 -22.622 432 HE3 LYS 59 HE3 LYS 59 -30.599 3.169 -22.792 433 HZ1 LYS 59 HZ1 LYS 59 -31.424 4.713 -24.290 434 HZ2 LYS 59 HZ2 LYS 59 -32.682 4.579 -23.168 435 HZ3 LYS 59 HZ3 LYS 59 -32.795 3.793 -24.661 436 H ALA 60 H ALA 60 -29.377 -3.076 -22.839 437 HA ALA 60 HA ALA 60 -31.518 -4.323 -24.146 438 HB1 ALA 60 HB1 ALA 60 -30.110 -6.351 -24.107 439 HB2 ALA 60 HB2 ALA 60 -29.229 -4.917 -24.635 440 HB3 ALA 60 HB3 ALA 60 -29.006 -5.535 -22.998 441 H LYS 61 H LYS 61 -30.161 -4.912 -20.909 442 HA LYS 61 HA LYS 61 -31.910 -6.973 -20.173 443 HB2 LYS 61 HB2 LYS 61 -30.617 -4.940 -18.348 444 HB3 LYS 61 HB3 LYS 61 -31.223 -6.525 -17.885 445 HG2 LYS 61 HG2 LYS 61 -29.037 -6.187 -19.912 446 HG3 LYS 61 HG3 LYS 61 -28.714 -6.278 -18.180 447 HD2 LYS 61 HD2 LYS 61 -29.790 -8.462 -18.079 448 HD3 LYS 61 HD3 LYS 61 -30.174 -8.367 -19.799 449 HE2 LYS 61 HE2 LYS 61 -27.526 -7.951 -19.904 450 HE3 LYS 61 HE3 LYS 61 -27.608 -8.942 -18.448 451 HZ1 LYS 61 HZ1 LYS 61 -27.302 -10.212 -20.543 452 HZ2 LYS 61 HZ2 LYS 61 -28.841 -9.712 -21.034 453 HZ3 LYS 61 HZ3 LYS 61 -28.665 -10.677 -19.657 454 H THR 62 H THR 62 -32.123 -3.468 -19.664 455 HA THR 62 HA THR 62 -33.890 -2.098 -19.233 456 HB THR 62 HB THR 62 -35.851 -4.296 -19.760 457 HG1 THR 62 HG1 THR 62 -34.388 -2.929 -21.791 458 HG21 THR 62 HG21 THR 62 -36.675 -2.186 -21.191 459 HG22 THR 62 HG22 THR 62 -35.727 -1.344 -19.965 460 HG23 THR 62 HG23 THR 62 -37.062 -2.391 -19.482 461 H THR 63 H THR 63 -32.858 -4.270 -17.283 462 HA THR 63 HA THR 63 -35.127 -4.522 -15.480 463 HB THR 63 HB THR 63 -32.313 -5.401 -14.870 464 HG1 THR 63 HG1 THR 63 -34.296 -6.769 -16.395 465 HG21 THR 63 HG21 THR 63 -34.324 -7.213 -14.016 466 HG22 THR 63 HG22 THR 63 -34.833 -5.589 -13.552 467 HG23 THR 63 HG23 THR 63 -33.268 -6.206 -13.027 468 H LEU 64 H LEU 64 -32.426 -2.471 -15.977 469 HA LEU 64 HA LEU 64 -32.325 -1.514 -13.246 470 HB2 LEU 64 HB2 LEU 64 -30.894 -0.797 -15.781 471 HB3 LEU 64 HB3 LEU 64 -30.765 0.215 -14.343 472 HG LEU 64 HG LEU 64 -29.935 -2.680 -14.544 473 HD11 LEU 64 HD11 LEU 64 -27.911 -0.686 -13.919 474 HD12 LEU 64 HD12 LEU 64 -28.624 -0.467 -15.517 475 HD13 LEU 64 HD13 LEU 64 -27.881 -2.006 -15.088 476 HD21 LEU 64 HD21 LEU 64 -30.197 -2.641 -12.326 477 HD22 LEU 64 HD22 LEU 64 -30.389 -0.888 -12.288 478 HD23 LEU 64 HD23 LEU 64 -28.774 -1.598 -12.307 Start of MODEL 11 1 H1 ALA 1 H ALA 1 5.839 -4.320 -5.317 2 HA ALA 1 HA ALA 1 4.042 -3.506 -7.362 3 HB1 ALA 1 HB1 ALA 1 6.196 -4.883 -7.578 4 HB2 ALA 1 HB2 ALA 1 5.191 -6.267 -7.147 5 HB3 ALA 1 HB3 ALA 1 4.824 -5.326 -8.593 6 H LYS 2 H LYS 2 2.819 -3.977 -4.732 7 HA LYS 2 HA LYS 2 0.897 -6.079 -5.491 8 HB2 LYS 2 HB2 LYS 2 1.989 -5.283 -2.808 9 HB3 LYS 2 HB3 LYS 2 0.430 -6.088 -2.938 10 HG2 LYS 2 HG2 LYS 2 2.213 -7.585 -4.504 11 HG3 LYS 2 HG3 LYS 2 3.063 -7.207 -3.004 12 HD2 LYS 2 HD2 LYS 2 1.925 -9.236 -2.603 13 HD3 LYS 2 HD3 LYS 2 0.978 -7.988 -1.790 14 HE2 LYS 2 HE2 LYS 2 -0.808 -8.640 -2.936 15 HE3 LYS 2 HE3 LYS 2 0.002 -8.163 -4.428 16 HZ1 LYS 2 HZ1 LYS 2 0.832 -10.328 -4.732 17 HZ2 LYS 2 HZ2 LYS 2 -0.793 -10.528 -4.310 18 HZ3 LYS 2 HZ3 LYS 2 0.419 -10.808 -3.163 19 H ALA 3 H ALA 3 1.342 -2.877 -4.103 20 HA ALA 3 HA ALA 3 -1.385 -2.332 -3.586 21 HB1 ALA 3 HB1 ALA 3 -0.505 0.116 -3.807 22 HB2 ALA 3 HB2 ALA 3 0.022 -0.899 -2.464 23 HB3 ALA 3 HB3 ALA 3 1.075 -0.667 -3.859 24 H CYS 4 H CYS 4 -2.993 -1.995 -4.962 25 HA CYS 4 HA CYS 4 -2.339 -1.106 -7.696 26 HB2 CYS 4 HB2 CYS 4 -3.617 -3.441 -6.931 27 HB3 CYS 4 HB3 CYS 4 -4.948 -2.378 -7.376 28 H THR 5 H THR 5 -4.666 -0.349 -8.696 29 HA THR 5 HA THR 5 -5.914 1.509 -6.803 30 HB THR 5 HB THR 5 -4.768 2.318 -9.482 31 HG1 THR 5 HG1 THR 5 -3.467 3.669 -8.191 32 HG21 THR 5 HG21 THR 5 -6.398 3.927 -7.512 33 HG22 THR 5 HG22 THR 5 -6.934 3.388 -9.104 34 HG23 THR 5 HG23 THR 5 -5.623 4.559 -8.965 35 HA PRO 6 HA PRO 6 -9.133 -0.630 -9.264 36 HB2 PRO 6 HB2 PRO 6 -10.952 -0.648 -7.250 37 HB3 PRO 6 HB3 PRO 6 -9.691 -1.875 -7.415 38 HG2 PRO 6 HG2 PRO 6 -9.764 0.543 -5.650 39 HG3 PRO 6 HG3 PRO 6 -9.230 -1.105 -5.269 40 HD2 PRO 6 HD2 PRO 6 -7.494 0.895 -5.833 41 HD3 PRO 6 HD3 PRO 6 -7.167 -0.799 -6.252 42 H LEU 7 H LEU 7 -11.667 0.016 -9.128 43 HA LEU 7 HA LEU 7 -11.827 2.611 -10.217 44 HB2 LEU 7 HB2 LEU 7 -13.363 0.479 -10.447 45 HB3 LEU 7 HB3 LEU 7 -14.251 1.262 -9.140 46 HG LEU 7 HG LEU 7 -14.354 3.307 -10.667 47 HD11 LEU 7 HD11 LEU 7 -14.332 2.530 -13.128 48 HD12 LEU 7 HD12 LEU 7 -13.290 1.234 -12.544 49 HD13 LEU 7 HD13 LEU 7 -12.801 2.915 -12.343 50 HD21 LEU 7 HD21 LEU 7 -16.104 1.365 -10.207 51 HD22 LEU 7 HD22 LEU 7 -15.854 1.080 -11.929 52 HD23 LEU 7 HD23 LEU 7 -16.417 2.654 -11.367 53 H LEU 8 H LEU 8 -12.612 4.525 -9.407 54 HA LEU 8 HA LEU 8 -13.135 6.127 -7.879 55 HB2 LEU 8 HB2 LEU 8 -13.989 3.982 -5.969 56 HB3 LEU 8 HB3 LEU 8 -14.601 5.626 -6.126 57 HG LEU 8 HG LEU 8 -15.081 3.376 -8.080 58 HD11 LEU 8 HD11 LEU 8 -17.304 3.295 -7.246 59 HD12 LEU 8 HD12 LEU 8 -17.040 4.704 -6.221 60 HD13 LEU 8 HD13 LEU 8 -16.222 3.184 -5.857 61 HD21 LEU 8 HD21 LEU 8 -14.976 5.686 -9.047 62 HD22 LEU 8 HD22 LEU 8 -16.333 6.116 -8.003 63 HD23 LEU 8 HD23 LEU 8 -16.529 4.871 -9.239 64 H HIS 9 H HIS 9 -10.550 5.609 -7.964 65 HA HIS 9 HA HIS 9 -9.721 5.905 -5.180 66 HB2 HIS 9 HB2 HIS 9 -8.908 3.706 -6.999 67 HB3 HIS 9 HB3 HIS 9 -7.629 4.447 -6.041 68 HD1 HIS 9 HD1 HIS 9 -7.287 3.383 -3.844 69 HD2 HIS 9 HD2 HIS 9 -11.189 2.909 -5.189 70 HE1 HIS 9 HE1 HIS 9 -8.430 1.971 -2.106 71 H ASP 10 H ASP 10 -7.393 6.648 -5.058 72 HA ASP 10 HA ASP 10 -7.066 8.887 -6.805 73 HB2 ASP 10 HB2 ASP 10 -5.461 7.764 -4.520 74 HB3 ASP 10 HB3 ASP 10 -4.857 9.106 -5.489 75 H CYS 11 H CYS 11 -6.111 8.889 -8.720 76 HA CYS 11 HA CYS 11 -3.916 6.998 -9.218 77 HB2 CYS 11 HB2 CYS 11 -4.756 6.498 -11.426 78 HB3 CYS 11 HB3 CYS 11 -6.023 6.159 -10.250 79 H SER 12 H SER 12 -4.645 10.089 -8.872 80 HA SER 12 HA SER 12 -3.775 11.420 -11.164 81 HB2 SER 12 HB2 SER 12 -4.843 12.387 -9.030 82 HB3 SER 12 HB3 SER 12 -3.203 12.419 -8.377 83 HG SER 12 HG SER 12 -2.628 13.702 -10.224 84 H HIS 13 H HIS 13 -2.000 9.713 -8.729 85 HA HIS 13 HA HIS 13 0.549 10.883 -9.391 86 HB2 HIS 13 HB2 HIS 13 -0.285 8.568 -7.650 87 HB3 HIS 13 HB3 HIS 13 1.408 8.957 -7.943 88 HD1 HIS 13 HD1 HIS 13 1.360 11.992 -7.683 89 HD2 HIS 13 HD2 HIS 13 -0.663 9.435 -5.108 90 HE1 HIS 13 HE1 HIS 13 1.037 13.296 -5.558 91 H ASP 14 H ASP 14 -1.405 8.341 -10.592 92 HA ASP 14 HA ASP 14 0.443 7.783 -12.698 93 HB2 ASP 14 HB2 ASP 14 1.330 6.394 -10.783 94 HB3 ASP 14 HB3 ASP 14 -0.175 5.481 -10.843 95 H ARG 15 H ARG 15 -0.791 7.551 -14.432 96 HA ARG 15 HA ARG 15 -3.592 6.876 -14.150 97 HB2 ARG 15 HB2 ARG 15 -2.054 7.469 -16.681 98 HB3 ARG 15 HB3 ARG 15 -3.799 7.497 -16.470 99 HG2 ARG 15 HG2 ARG 15 -3.599 9.400 -14.961 100 HG3 ARG 15 HG3 ARG 15 -1.844 9.363 -15.144 101 HD2 ARG 15 HD2 ARG 15 -2.523 11.024 -16.632 102 HD3 ARG 15 HD3 ARG 15 -2.301 9.606 -17.656 103 HE ARG 15 HE ARG 15 -4.987 9.847 -16.731 104 HH11 ARG 15 HH11 ARG 15 -2.716 11.034 -19.088 105 HH12 ARG 15 HH12 ARG 15 -3.938 11.466 -20.238 106 HH21 ARG 15 HH21 ARG 15 -6.604 10.414 -18.237 107 HH22 ARG 15 HH22 ARG 15 -6.148 11.114 -19.753 108 H HIS 16 H HIS 16 -0.658 5.310 -15.014 109 HA HIS 16 HA HIS 16 -2.106 3.062 -16.224 110 HB2 HIS 16 HB2 HIS 16 0.693 4.067 -16.396 111 HB3 HIS 16 HB3 HIS 16 0.436 2.333 -16.565 112 HD1 HIS 16 HD1 HIS 16 1.473 3.223 -19.031 113 HD2 HIS 16 HD2 HIS 16 -2.531 3.919 -18.167 114 HE1 HIS 16 HE1 HIS 16 0.365 3.629 -21.253 115 H SER 17 H SER 17 -1.995 3.736 -13.320 116 HA SER 17 HA SER 17 -0.515 1.440 -12.262 117 HB2 SER 17 HB2 SER 17 -1.043 2.460 -10.030 118 HB3 SER 17 HB3 SER 17 -0.086 3.501 -11.084 119 HG SER 17 HG SER 17 -2.863 3.739 -11.200 120 H CYS 18 H CYS 18 -3.744 2.683 -12.710 121 HA CYS 18 HA CYS 18 -5.218 1.114 -10.984 122 HB2 CYS 18 HB2 CYS 18 -5.825 2.173 -13.736 123 HB3 CYS 18 HB3 CYS 18 -7.012 1.242 -12.828 124 H CYS 19 H CYS 19 -5.802 -0.974 -10.874 125 HA CYS 19 HA CYS 19 -4.413 -2.975 -12.176 126 HB2 CYS 19 HB2 CYS 19 -6.929 -2.865 -10.594 127 HB3 CYS 19 HB3 CYS 19 -6.634 -4.325 -11.532 128 H ARG 20 H ARG 20 -5.534 -4.769 -13.498 129 HA ARG 20 HA ARG 20 -6.446 -3.551 -15.945 130 HB2 ARG 20 HB2 ARG 20 -4.900 -5.686 -15.498 131 HB3 ARG 20 HB3 ARG 20 -6.451 -6.506 -15.614 132 HG2 ARG 20 HG2 ARG 20 -6.420 -4.770 -17.780 133 HG3 ARG 20 HG3 ARG 20 -4.781 -5.416 -17.696 134 HD2 ARG 20 HD2 ARG 20 -5.900 -7.707 -17.461 135 HD3 ARG 20 HD3 ARG 20 -7.372 -6.900 -18.002 136 HE ARG 20 HE ARG 20 -5.438 -6.242 -19.845 137 HH11 ARG 20 HH11 ARG 20 -6.886 -9.168 -18.637 138 HH12 ARG 20 HH12 ARG 20 -6.675 -10.040 -20.119 139 HH21 ARG 20 HH21 ARG 20 -5.154 -7.378 -21.802 140 HH22 ARG 20 HH22 ARG 20 -5.689 -9.021 -21.919 141 H GLY 21 H GLY 21 -8.312 -4.598 -17.147 142 HA2 GLY 21 HA2 GLY 21 -10.559 -4.951 -15.262 143 HA3 GLY 21 HA3 GLY 21 -10.704 -4.179 -16.834 144 H ASP 22 H ASP 22 -12.401 -6.217 -16.100 145 HA ASP 22 HA ASP 22 -11.703 -8.812 -16.733 146 HB2 ASP 22 HB2 ASP 22 -14.255 -7.262 -16.933 147 HB3 ASP 22 HB3 ASP 22 -14.186 -8.885 -17.613 148 H MET 23 H MET 23 -12.434 -6.130 -18.879 149 HA MET 23 HA MET 23 -11.763 -7.859 -21.170 150 HB2 MET 23 HB2 MET 23 -13.527 -5.404 -21.168 151 HB3 MET 23 HB3 MET 23 -13.152 -6.404 -22.564 152 HG2 MET 23 HG2 MET 23 -14.363 -7.733 -20.210 153 HG3 MET 23 HG3 MET 23 -15.388 -6.677 -21.179 154 HE1 MET 23 HE1 MET 23 -16.930 -9.377 -22.820 155 HE2 MET 23 HE2 MET 23 -16.229 -10.166 -21.407 156 HE3 MET 23 HE3 MET 23 -16.824 -8.509 -21.289 157 H PHE 24 H PHE 24 -11.541 -4.572 -19.859 158 HA PHE 24 HA PHE 24 -8.936 -4.286 -21.139 159 HB2 PHE 24 HB2 PHE 24 -11.017 -2.113 -21.384 160 HB3 PHE 24 HB3 PHE 24 -9.431 -2.174 -22.147 161 HD1 PHE 24 HD1 PHE 24 -12.831 -3.568 -22.177 162 HD2 PHE 24 HD2 PHE 24 -9.071 -3.387 -24.163 163 HE1 PHE 24 HE1 PHE 24 -13.833 -4.623 -24.161 164 HE2 PHE 24 HE2 PHE 24 -10.067 -4.439 -26.151 165 HZ PHE 24 HZ PHE 24 -12.451 -5.059 -26.153 166 H LYS 25 H LYS 25 -7.512 -2.999 -20.026 167 HA LYS 25 HA LYS 25 -7.761 -2.712 -17.300 168 HB2 LYS 25 HB2 LYS 25 -5.781 -1.401 -17.352 169 HB3 LYS 25 HB3 LYS 25 -5.653 -2.539 -18.687 170 HG2 LYS 25 HG2 LYS 25 -6.580 -0.660 -20.146 171 HG3 LYS 25 HG3 LYS 25 -6.218 0.402 -18.784 172 HD2 LYS 25 HD2 LYS 25 -4.057 0.446 -19.314 173 HD3 LYS 25 HD3 LYS 25 -3.978 -1.318 -19.347 174 HE2 LYS 25 HE2 LYS 25 -5.041 0.355 -21.616 175 HE3 LYS 25 HE3 LYS 25 -3.365 -0.178 -21.499 176 HZ1 LYS 25 HZ1 LYS 25 -5.489 -2.187 -21.281 177 HZ2 LYS 25 HZ2 LYS 25 -3.924 -2.337 -21.906 178 HZ3 LYS 25 HZ3 LYS 25 -5.125 -1.566 -22.813 179 H TYR 26 H TYR 26 -7.930 -0.799 -15.954 180 HA TYR 26 HA TYR 26 -10.180 0.812 -16.699 181 HB2 TYR 26 HB2 TYR 26 -8.399 0.800 -14.260 182 HB3 TYR 26 HB3 TYR 26 -9.772 1.885 -14.447 183 HD1 TYR 26 HD1 TYR 26 -11.756 0.089 -15.700 184 HD2 TYR 26 HD2 TYR 26 -9.020 -0.624 -12.521 185 HE1 TYR 26 HE1 TYR 26 -13.253 -1.646 -14.809 186 HE2 TYR 26 HE2 TYR 26 -10.508 -2.363 -11.622 187 HH TYR 26 HH TYR 26 -12.489 -3.365 -11.800 188 H VAL 27 H VAL 27 -10.161 3.204 -16.436 189 HA VAL 27 HA VAL 27 -7.673 4.341 -17.538 190 HB VAL 27 HB VAL 27 -9.290 4.529 -19.241 191 HG11 VAL 27 HG11 VAL 27 -11.270 3.963 -17.981 192 HG12 VAL 27 HG12 VAL 27 -11.211 5.507 -17.131 193 HG13 VAL 27 HG13 VAL 27 -11.546 5.465 -18.862 194 HG21 VAL 27 HG21 VAL 27 -8.023 6.638 -18.546 195 HG22 VAL 27 HG22 VAL 27 -9.425 6.844 -19.596 196 HG23 VAL 27 HG23 VAL 27 -9.557 7.188 -17.871 197 H CYS 28 H CYS 28 -7.014 6.389 -16.833 198 HA CYS 28 HA CYS 28 -8.051 7.116 -14.190 199 HB2 CYS 28 HB2 CYS 28 -5.620 6.630 -14.431 200 HB3 CYS 28 HB3 CYS 28 -5.488 7.997 -15.535 201 H ASP 29 H ASP 29 -9.531 8.667 -14.177 202 HA ASP 29 HA ASP 29 -9.579 10.670 -16.292 203 HB2 ASP 29 HB2 ASP 29 -11.507 9.818 -14.157 204 HB3 ASP 29 HB3 ASP 29 -11.709 11.372 -14.960 205 H CYS 30 H CYS 30 -9.652 12.928 -15.864 206 HA CYS 30 HA CYS 30 -8.656 13.751 -13.227 207 HB2 CYS 30 HB2 CYS 30 -7.419 14.311 -15.908 208 HB3 CYS 30 HB3 CYS 30 -7.201 15.434 -14.570 209 H PHE 31 H PHE 31 -9.127 15.910 -12.643 210 HA PHE 31 HA PHE 31 -10.858 17.444 -14.418 211 HB2 PHE 31 HB2 PHE 31 -11.686 16.581 -11.640 212 HB3 PHE 31 HB3 PHE 31 -12.546 17.758 -12.627 213 HD1 PHE 31 HD2 PHE 31 -13.743 17.050 -14.642 214 HD2 PHE 31 HD1 PHE 31 -11.856 14.239 -12.063 215 HE1 PHE 31 HE2 PHE 31 -15.038 15.234 -15.680 216 HE2 PHE 31 HE1 PHE 31 -13.148 12.418 -13.097 217 HZ PHE 31 HZ PHE 31 -14.741 12.914 -14.909 218 H TYR 32 H TYR 32 -11.127 19.657 -13.763 219 HA TYR 32 HA TYR 32 -9.141 20.561 -11.785 220 HB2 TYR 32 HB2 TYR 32 -9.775 22.055 -14.326 221 HB3 TYR 32 HB3 TYR 32 -8.457 22.350 -13.198 222 HD1 TYR 32 HD2 TYR 32 -6.741 20.398 -12.927 223 HD2 TYR 32 HD1 TYR 32 -9.373 20.813 -16.243 224 HE1 TYR 32 HE2 TYR 32 -5.263 18.963 -14.271 225 HE2 TYR 32 HE1 TYR 32 -7.904 19.379 -17.597 226 HH TYR 32 HH TYR 32 -6.073 18.128 -17.629 227 HA PRO 33 HA PRO 33 -13.308 22.252 -10.700 228 HB2 PRO 33 HB2 PRO 33 -13.017 21.852 -8.030 229 HB3 PRO 33 HB3 PRO 33 -13.615 20.604 -9.128 230 HG2 PRO 33 HG2 PRO 33 -10.865 20.980 -8.005 231 HG3 PRO 33 HG3 PRO 33 -11.802 19.487 -8.192 232 HD2 PRO 33 HD2 PRO 33 -9.844 20.204 -9.919 233 HD3 PRO 33 HD3 PRO 33 -11.278 19.289 -10.429 234 H GLU 34 H GLU 34 -12.092 24.222 -11.463 235 HA GLU 34 HA GLU 34 -11.489 26.387 -11.103 236 HB2 GLU 34 HB2 GLU 34 -13.197 25.834 -9.057 237 HB3 GLU 34 HB3 GLU 34 -11.753 26.298 -8.169 238 HG2 GLU 34 HG2 GLU 34 -12.419 28.098 -10.369 239 HG3 GLU 34 HG3 GLU 34 -13.648 28.011 -9.110 240 H GLY 35 H GLY 35 -9.561 24.192 -10.939 241 HA2 GLY 35 HA2 GLY 35 -7.314 25.705 -10.034 242 HA3 GLY 35 HA3 GLY 35 -7.685 24.389 -8.931 243 H GLU 36 H GLU 36 -6.982 25.105 -12.331 244 HA GLU 36 HA GLU 36 -6.187 22.334 -12.773 245 HB2 GLU 36 HB2 GLU 36 -6.129 22.849 -15.091 246 HB3 GLU 36 HB3 GLU 36 -7.566 23.627 -14.443 247 HG2 GLU 36 HG2 GLU 36 -6.116 25.722 -14.239 248 HG3 GLU 36 HG3 GLU 36 -4.983 24.880 -15.295 249 H ASP 37 H ASP 37 -4.807 25.445 -12.196 250 HA ASP 37 HA ASP 37 -2.125 24.414 -12.839 251 HB2 ASP 37 HB2 ASP 37 -3.330 27.143 -12.873 252 HB3 ASP 37 HB3 ASP 37 -1.616 26.998 -12.493 253 H LYS 38 H LYS 38 -3.728 23.891 -10.394 254 HA LYS 38 HA LYS 38 -1.687 24.726 -8.467 255 HB2 LYS 38 HB2 LYS 38 -3.559 25.081 -6.781 256 HB3 LYS 38 HB3 LYS 38 -3.366 26.324 -8.011 257 HG2 LYS 38 HG2 LYS 38 -5.191 25.207 -9.305 258 HG3 LYS 38 HG3 LYS 38 -5.452 24.160 -7.908 259 HD2 LYS 38 HD2 LYS 38 -7.015 25.895 -7.660 260 HD3 LYS 38 HD3 LYS 38 -5.703 26.310 -6.556 261 HE2 LYS 38 HE2 LYS 38 -4.768 27.758 -8.392 262 HE3 LYS 38 HE3 LYS 38 -6.267 27.475 -9.276 263 HZ1 LYS 38 HZ1 LYS 38 -5.876 28.932 -6.737 264 HZ2 LYS 38 HZ2 LYS 38 -7.395 28.328 -7.169 265 HZ3 LYS 38 HZ3 LYS 38 -6.625 29.464 -8.157 266 H THR 39 H THR 39 -4.604 22.746 -8.944 267 HA THR 39 HA THR 39 -3.230 20.377 -8.088 268 HB THR 39 HB THR 39 -5.601 21.111 -6.393 269 HG1 THR 39 HG1 THR 39 -4.300 22.116 -4.968 270 HG21 THR 39 HG21 THR 39 -3.263 19.303 -5.798 271 HG22 THR 39 HG22 THR 39 -4.744 18.743 -6.574 272 HG23 THR 39 HG23 THR 39 -4.800 19.404 -4.940 273 H GLU 40 H GLU 40 -3.924 18.933 -9.511 274 HA GLU 40 HA GLU 40 -6.635 19.151 -10.586 275 HB2 GLU 40 HB2 GLU 40 -5.817 17.430 -12.228 276 HB3 GLU 40 HB3 GLU 40 -4.969 18.970 -12.279 277 HG2 GLU 40 HG2 GLU 40 -3.071 18.080 -11.216 278 HG3 GLU 40 HG3 GLU 40 -3.932 16.624 -10.724 279 H VAL 41 H VAL 41 -8.215 17.741 -10.139 280 HA VAL 41 HA VAL 41 -7.626 15.590 -8.248 281 HB VAL 41 HB VAL 41 -10.353 16.503 -9.151 282 HG11 VAL 41 HG11 VAL 41 -10.122 14.294 -8.011 283 HG12 VAL 41 HG12 VAL 41 -9.498 15.147 -6.599 284 HG13 VAL 41 HG13 VAL 41 -11.145 15.448 -7.155 285 HG21 VAL 41 HG21 VAL 41 -8.641 17.550 -6.904 286 HG22 VAL 41 HG22 VAL 41 -9.286 18.454 -8.274 287 HG23 VAL 41 HG23 VAL 41 -10.377 17.837 -7.033 288 H CYS 42 H CYS 42 -7.181 13.670 -9.099 289 HA CYS 42 HA CYS 42 -8.692 12.805 -11.478 290 HB2 CYS 42 HB2 CYS 42 -5.934 11.884 -10.644 291 HB3 CYS 42 HB3 CYS 42 -6.784 11.456 -12.126 292 H SER 43 H SER 43 -9.370 10.631 -11.580 293 HA SER 43 HA SER 43 -9.056 8.969 -9.213 294 HB2 SER 43 HB2 SER 43 -11.668 8.623 -9.352 295 HB3 SER 43 HB3 SER 43 -10.991 9.958 -8.419 296 HG SER 43 HG SER 43 -11.361 11.304 -10.232 297 H CYS 44 H CYS 44 -9.687 6.771 -9.546 298 HA CYS 44 HA CYS 44 -9.198 5.870 -12.213 299 HB2 CYS 44 HB2 CYS 44 -8.666 4.761 -9.863 300 HB3 CYS 44 HB3 CYS 44 -10.246 4.025 -10.111 301 H GLN 45 H GLN 45 -10.603 5.336 -13.760 302 HA GLN 45 HA GLN 45 -13.372 4.725 -13.065 303 HB2 GLN 45 HB2 GLN 45 -12.477 7.013 -14.792 304 HB3 GLN 45 HB3 GLN 45 -14.042 6.253 -15.049 305 HG2 GLN 45 HG2 GLN 45 -13.706 6.831 -12.269 306 HG3 GLN 45 HG3 GLN 45 -13.377 8.277 -13.224 307 HE21 GLN 45 HE21 GLN 45 -15.668 7.190 -11.465 308 HE22 GLN 45 HE22 GLN 45 -17.077 7.550 -12.397 309 H GLN 46 H GLN 46 -14.601 4.136 -15.177 310 HA GLN 46 HA GLN 46 -12.911 2.220 -16.595 311 HB2 GLN 46 HB2 GLN 46 -15.829 2.449 -16.036 312 HB3 GLN 46 HB3 GLN 46 -15.331 1.577 -17.480 313 HG2 GLN 46 HG2 GLN 46 -14.203 -0.052 -16.250 314 HG3 GLN 46 HG3 GLN 46 -14.167 0.942 -14.796 315 HE21 GLN 46 HE21 GLN 46 -15.010 -1.026 -13.804 316 HE22 GLN 46 HE22 GLN 46 -16.713 -1.312 -13.838 317 HA PRO 47 HA PRO 47 -12.825 4.528 -20.335 318 HB2 PRO 47 HB2 PRO 47 -12.552 2.503 -22.122 319 HB3 PRO 47 HB3 PRO 47 -11.242 3.028 -21.058 320 HG2 PRO 47 HG2 PRO 47 -13.113 0.710 -20.759 321 HG3 PRO 47 HG3 PRO 47 -11.364 0.781 -20.473 322 HD2 PRO 47 HD2 PRO 47 -13.174 0.899 -18.463 323 HD3 PRO 47 HD3 PRO 47 -11.615 1.745 -18.395 324 H LYS 48 H LYS 48 -13.947 4.822 -22.389 325 HA LYS 48 HA LYS 48 -16.699 4.835 -22.189 326 HB2 LYS 48 HB2 LYS 48 -14.759 5.529 -24.152 327 HB3 LYS 48 HB3 LYS 48 -16.018 4.598 -24.952 328 HG2 LYS 48 HG2 LYS 48 -17.122 6.522 -25.108 329 HG3 LYS 48 HG3 LYS 48 -17.453 6.336 -23.385 330 HD2 LYS 48 HD2 LYS 48 -14.939 7.436 -23.394 331 HD3 LYS 48 HD3 LYS 48 -15.709 8.228 -24.771 332 HE2 LYS 48 HE2 LYS 48 -17.620 8.808 -23.286 333 HE3 LYS 48 HE3 LYS 48 -16.714 8.142 -21.930 334 HZ1 LYS 48 HZ1 LYS 48 -16.492 10.556 -22.100 335 HZ2 LYS 48 HZ2 LYS 48 -15.809 10.395 -23.639 336 HZ3 LYS 48 HZ3 LYS 48 -14.999 9.781 -22.287 337 H SER 49 H SER 49 -14.586 2.309 -23.366 338 HA SER 49 HA SER 49 -16.547 0.732 -24.651 339 HB2 SER 49 HB2 SER 49 -13.790 0.599 -24.297 340 HB3 SER 49 HB3 SER 49 -14.397 -0.825 -23.451 341 HG SER 49 HG SER 49 -14.005 -0.657 -25.979 342 H HIS 50 H HIS 50 -15.008 0.295 -21.460 343 HA HIS 50 HA HIS 50 -16.632 -1.790 -20.580 344 HB2 HIS 50 HB2 HIS 50 -14.710 0.047 -19.402 345 HB3 HIS 50 HB3 HIS 50 -16.012 -0.343 -18.282 346 HD1 HIS 50 HD1 HIS 50 -15.732 -2.453 -17.012 347 HD2 HIS 50 HD2 HIS 50 -13.433 -2.406 -20.473 348 HE1 HIS 50 HE1 HIS 50 -14.362 -4.560 -16.938 349 H LYS 51 H LYS 51 -17.171 1.665 -20.597 350 HA LYS 51 HA LYS 51 -19.400 1.679 -18.837 351 HB2 LYS 51 HB2 LYS 51 -18.462 3.780 -19.079 352 HB3 LYS 51 HB3 LYS 51 -18.237 3.595 -20.814 353 HG2 LYS 51 HG2 LYS 51 -21.030 3.633 -19.880 354 HG3 LYS 51 HG3 LYS 51 -20.131 5.141 -19.706 355 HD2 LYS 51 HD2 LYS 51 -19.480 4.236 -22.251 356 HD3 LYS 51 HD3 LYS 51 -21.203 3.888 -22.088 357 HE2 LYS 51 HE2 LYS 51 -20.914 6.096 -23.014 358 HE3 LYS 51 HE3 LYS 51 -21.570 6.228 -21.383 359 HZ1 LYS 51 HZ1 LYS 51 -18.679 6.299 -21.570 360 HZ2 LYS 51 HZ2 LYS 51 -19.728 7.240 -20.634 361 HZ3 LYS 51 HZ3 LYS 51 -19.475 7.623 -22.263 362 H ILE 52 H ILE 52 -19.162 1.774 -22.389 363 HA ILE 52 HA ILE 52 -21.915 1.744 -22.910 364 HB ILE 52 HB ILE 52 -19.637 0.694 -24.591 365 HG12 ILE 52 HG12 ILE 52 -21.174 3.240 -25.027 366 HG13 ILE 52 HG13 ILE 52 -19.821 3.192 -23.903 367 HG21 ILE 52 HG21 ILE 52 -21.461 -0.358 -25.539 368 HG22 ILE 52 HG22 ILE 52 -22.562 0.959 -25.138 369 HG23 ILE 52 HG23 ILE 52 -21.396 1.152 -26.447 370 HD11 ILE 52 HD11 ILE 52 -19.227 3.993 -26.166 371 HD12 ILE 52 HD12 ILE 52 -18.314 2.574 -25.656 372 HD13 ILE 52 HD13 ILE 52 -19.645 2.401 -26.798 373 H ALA 53 H ALA 53 -19.631 -0.859 -22.311 374 HA ALA 53 HA ALA 53 -21.337 -2.992 -23.069 375 HB1 ALA 53 HB1 ALA 53 -19.116 -3.612 -22.991 376 HB2 ALA 53 HB2 ALA 53 -18.829 -2.780 -21.462 377 HB3 ALA 53 HB3 ALA 53 -19.733 -4.294 -21.485 378 H GLU 54 H GLU 54 -20.437 -1.757 -19.843 379 HA GLU 54 HA GLU 54 -22.183 -3.384 -18.382 380 HB2 GLU 54 HB2 GLU 54 -21.808 -1.891 -16.534 381 HB3 GLU 54 HB3 GLU 54 -20.300 -2.069 -17.421 382 HG2 GLU 54 HG2 GLU 54 -20.565 0.077 -18.437 383 HG3 GLU 54 HG3 GLU 54 -22.190 0.242 -17.775 384 H LYS 55 H LYS 55 -22.703 -0.380 -20.081 385 HA LYS 55 HA LYS 55 -25.203 0.270 -18.897 386 HB2 LYS 55 HB2 LYS 55 -23.520 1.282 -21.051 387 HB3 LYS 55 HB3 LYS 55 -25.232 1.385 -21.437 388 HG2 LYS 55 HG2 LYS 55 -24.367 3.429 -20.384 389 HG3 LYS 55 HG3 LYS 55 -25.650 2.669 -19.440 390 HD2 LYS 55 HD2 LYS 55 -23.962 1.653 -17.979 391 HD3 LYS 55 HD3 LYS 55 -22.686 2.428 -18.919 392 HE2 LYS 55 HE2 LYS 55 -22.939 3.872 -17.127 393 HE3 LYS 55 HE3 LYS 55 -23.948 4.620 -18.365 394 HZ1 LYS 55 HZ1 LYS 55 -25.710 3.014 -17.176 395 HZ2 LYS 55 HZ2 LYS 55 -25.459 4.624 -16.722 396 HZ3 LYS 55 HZ3 LYS 55 -24.710 3.377 -15.859 397 H ILE 56 H ILE 56 -24.442 -1.037 -22.131 398 HA ILE 56 HA ILE 56 -27.049 -1.593 -22.913 399 HB ILE 56 HB ILE 56 -24.545 -3.107 -23.661 400 HG12 ILE 56 HG12 ILE 56 -25.900 -0.975 -25.294 401 HG13 ILE 56 HG13 ILE 56 -24.717 -0.552 -24.061 402 HG21 ILE 56 HG21 ILE 56 -26.275 -3.186 -25.803 403 HG22 ILE 56 HG22 ILE 56 -25.961 -4.503 -24.673 404 HG23 ILE 56 HG23 ILE 56 -27.335 -3.428 -24.414 405 HD11 ILE 56 HD11 ILE 56 -23.863 -0.752 -26.421 406 HD12 ILE 56 HD12 ILE 56 -22.991 -1.678 -25.199 407 HD13 ILE 56 HD13 ILE 56 -24.127 -2.489 -26.275 408 H ILE 57 H ILE 57 -24.723 -3.676 -21.224 409 HA ILE 57 HA ILE 57 -26.339 -5.974 -21.117 410 HB ILE 57 HB ILE 57 -24.182 -5.103 -19.191 411 HG12 ILE 57 HG12 ILE 57 -23.876 -7.133 -21.384 412 HG13 ILE 57 HG13 ILE 57 -23.685 -5.416 -21.727 413 HG21 ILE 57 HG21 ILE 57 -25.656 -7.688 -19.554 414 HG22 ILE 57 HG22 ILE 57 -24.035 -7.645 -18.863 415 HG23 ILE 57 HG23 ILE 57 -25.353 -6.781 -18.072 416 HD11 ILE 57 HD11 ILE 57 -22.164 -6.208 -19.406 417 HD12 ILE 57 HD12 ILE 57 -21.737 -7.158 -20.830 418 HD13 ILE 57 HD13 ILE 57 -21.639 -5.398 -20.882 419 H ASP 58 H ASP 58 -25.843 -3.373 -18.742 420 HA ASP 58 HA ASP 58 -27.512 -4.356 -16.737 421 HB2 ASP 58 HB2 ASP 58 -26.558 -1.622 -17.498 422 HB3 ASP 58 HB3 ASP 58 -27.792 -1.785 -16.251 423 H LYS 59 H LYS 59 -28.267 -2.200 -19.455 424 HA LYS 59 HA LYS 59 -30.969 -1.775 -18.820 425 HB2 LYS 59 HB2 LYS 59 -29.536 -0.525 -20.516 426 HB3 LYS 59 HB3 LYS 59 -29.848 -1.859 -21.619 427 HG2 LYS 59 HG2 LYS 59 -32.093 -1.341 -21.820 428 HG3 LYS 59 HG3 LYS 59 -32.122 -0.429 -20.309 429 HD2 LYS 59 HD2 LYS 59 -32.209 1.218 -21.964 430 HD3 LYS 59 HD3 LYS 59 -30.510 1.188 -21.489 431 HE2 LYS 59 HE2 LYS 59 -30.207 1.102 -23.731 432 HE3 LYS 59 HE3 LYS 59 -30.438 -0.623 -23.456 433 HZ1 LYS 59 HZ1 LYS 59 -31.843 0.841 -25.210 434 HZ2 LYS 59 HZ2 LYS 59 -32.878 0.866 -23.873 435 HZ3 LYS 59 HZ3 LYS 59 -32.384 -0.612 -24.534 436 H ALA 60 H ALA 60 -29.442 -4.162 -20.967 437 HA ALA 60 HA ALA 60 -31.795 -5.413 -21.836 438 HB1 ALA 60 HB1 ALA 60 -29.033 -6.583 -21.521 439 HB2 ALA 60 HB2 ALA 60 -30.351 -7.300 -22.449 440 HB3 ALA 60 HB3 ALA 60 -29.662 -5.754 -22.945 441 H LYS 61 H LYS 61 -29.493 -6.586 -19.369 442 HA LYS 61 HA LYS 61 -30.978 -8.713 -18.426 443 HB2 LYS 61 HB2 LYS 61 -28.573 -7.810 -17.813 444 HB3 LYS 61 HB3 LYS 61 -29.432 -7.058 -16.475 445 HG2 LYS 61 HG2 LYS 61 -29.097 -8.972 -15.393 446 HG3 LYS 61 HG3 LYS 61 -30.368 -9.638 -16.420 447 HD2 LYS 61 HD2 LYS 61 -28.168 -9.830 -18.033 448 HD3 LYS 61 HD3 LYS 61 -27.481 -10.130 -16.434 449 HE2 LYS 61 HE2 LYS 61 -29.385 -11.786 -16.106 450 HE3 LYS 61 HE3 LYS 61 -29.678 -11.630 -17.837 451 HZ1 LYS 61 HZ1 LYS 61 -28.084 -13.463 -16.860 452 HZ2 LYS 61 HZ2 LYS 61 -26.949 -12.213 -16.973 453 HZ3 LYS 61 HZ3 LYS 61 -27.778 -12.730 -18.354 454 H THR 62 H THR 62 -30.883 -5.428 -17.039 455 HA THR 62 HA THR 62 -32.417 -4.234 -15.853 456 HB THR 62 HB THR 62 -34.595 -6.162 -16.568 457 HG1 THR 62 HG1 THR 62 -34.569 -5.547 -18.644 458 HG21 THR 62 HG21 THR 62 -35.701 -3.854 -17.002 459 HG22 THR 62 HG22 THR 62 -34.336 -3.216 -16.086 460 HG23 THR 62 HG23 THR 62 -35.434 -4.377 -15.340 461 H THR 63 H THR 63 -31.170 -6.898 -14.892 462 HA THR 63 HA THR 63 -33.034 -7.631 -12.774 463 HB THR 63 HB THR 63 -30.262 -8.756 -13.081 464 HG1 THR 63 HG1 THR 63 -32.608 -9.431 -14.549 465 HG21 THR 63 HG21 THR 63 -31.423 -10.790 -12.194 466 HG22 THR 63 HG22 THR 63 -32.871 -9.805 -11.986 467 HG23 THR 63 HG23 THR 63 -31.406 -9.421 -11.082 468 H LEU 64 H LEU 64 -30.179 -5.739 -13.262 469 HA LEU 64 HA LEU 64 -30.082 -5.191 -10.370 470 HB2 LEU 64 HB2 LEU 64 -27.826 -5.479 -12.333 471 HB3 LEU 64 HB3 LEU 64 -27.630 -4.657 -10.787 472 HG LEU 64 HG LEU 64 -28.685 -7.448 -10.815 473 HD11 LEU 64 HD11 LEU 64 -26.741 -7.505 -12.307 474 HD12 LEU 64 HD12 LEU 64 -26.430 -8.347 -10.789 475 HD13 LEU 64 HD13 LEU 64 -25.765 -6.737 -11.056 476 HD21 LEU 64 HD21 LEU 64 -28.282 -7.338 -8.625 477 HD22 LEU 64 HD22 LEU 64 -28.058 -5.604 -8.856 478 HD23 LEU 64 HD23 LEU 64 -26.663 -6.684 -8.874 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.247 -5.441 4.561 2 HA ALA 1 HA ALA 1 -0.690 -6.500 2.768 3 HB1 ALA 1 HB1 ALA 1 -0.851 -3.811 4.102 4 HB2 ALA 1 HB2 ALA 1 -2.169 -4.883 3.628 5 HB3 ALA 1 HB3 ALA 1 -1.118 -5.320 4.975 6 H LYS 2 H LYS 2 -1.481 -5.698 0.852 7 HA LYS 2 HA LYS 2 -0.561 -3.220 -0.265 8 HB2 LYS 2 HB2 LYS 2 0.923 -5.627 -0.801 9 HB3 LYS 2 HB3 LYS 2 0.176 -5.050 -2.284 10 HG2 LYS 2 HG2 LYS 2 1.175 -2.808 -1.821 11 HG3 LYS 2 HG3 LYS 2 2.056 -3.546 -0.482 12 HD2 LYS 2 HD2 LYS 2 3.506 -4.604 -1.852 13 HD3 LYS 2 HD3 LYS 2 2.270 -4.950 -3.063 14 HE2 LYS 2 HE2 LYS 2 2.358 -2.476 -3.636 15 HE3 LYS 2 HE3 LYS 2 3.819 -2.404 -2.652 16 HZ1 LYS 2 HZ1 LYS 2 3.436 -4.180 -5.002 17 HZ2 LYS 2 HZ2 LYS 2 4.850 -4.026 -4.087 18 HZ3 LYS 2 HZ3 LYS 2 4.298 -2.724 -5.016 19 H ALA 3 H ALA 3 -1.470 -2.846 -2.448 20 HA ALA 3 HA ALA 3 -3.471 -4.610 -3.473 21 HB1 ALA 3 HB1 ALA 3 -5.431 -3.592 -2.836 22 HB2 ALA 3 HB2 ALA 3 -4.465 -3.422 -1.369 23 HB3 ALA 3 HB3 ALA 3 -4.643 -2.057 -2.471 24 H CYS 4 H CYS 4 -4.883 -3.308 -5.141 25 HA CYS 4 HA CYS 4 -3.001 -1.653 -6.673 26 HB2 CYS 4 HB2 CYS 4 -4.307 -2.263 -8.644 27 HB3 CYS 4 HB3 CYS 4 -3.794 -3.707 -7.778 28 H THR 5 H THR 5 -4.542 -0.306 -8.374 29 HA THR 5 HA THR 5 -6.158 1.420 -6.619 30 HB THR 5 HB THR 5 -4.844 2.186 -9.232 31 HG1 THR 5 HG1 THR 5 -3.988 2.402 -6.538 32 HG21 THR 5 HG21 THR 5 -6.922 3.433 -8.261 33 HG22 THR 5 HG22 THR 5 -5.537 4.359 -8.838 34 HG23 THR 5 HG23 THR 5 -5.757 4.086 -7.110 35 HA PRO 6 HA PRO 6 -9.229 -0.482 -9.481 36 HB2 PRO 6 HB2 PRO 6 -11.207 -0.593 -7.624 37 HB3 PRO 6 HB3 PRO 6 -9.977 -1.851 -7.793 38 HG2 PRO 6 HG2 PRO 6 -10.115 0.414 -5.841 39 HG3 PRO 6 HG3 PRO 6 -9.669 -1.279 -5.560 40 HD2 PRO 6 HD2 PRO 6 -7.827 0.690 -5.813 41 HD3 PRO 6 HD3 PRO 6 -7.524 -0.975 -6.347 42 H LEU 7 H LEU 7 -11.802 0.253 -9.321 43 HA LEU 7 HA LEU 7 -11.828 2.867 -10.351 44 HB2 LEU 7 HB2 LEU 7 -13.497 0.876 -10.618 45 HB3 LEU 7 HB3 LEU 7 -14.285 1.601 -9.219 46 HG LEU 7 HG LEU 7 -14.516 3.711 -10.519 47 HD11 LEU 7 HD11 LEU 7 -14.219 3.617 -12.947 48 HD12 LEU 7 HD12 LEU 7 -13.535 1.999 -12.799 49 HD13 LEU 7 HD13 LEU 7 -12.694 3.380 -12.093 50 HD21 LEU 7 HD21 LEU 7 -16.001 1.343 -10.674 51 HD22 LEU 7 HD22 LEU 7 -15.912 1.963 -12.322 52 HD23 LEU 7 HD23 LEU 7 -16.549 2.981 -11.030 53 H LEU 8 H LEU 8 -12.399 4.823 -9.501 54 HA LEU 8 HA LEU 8 -12.760 6.445 -7.947 55 HB2 LEU 8 HB2 LEU 8 -13.809 4.364 -6.064 56 HB3 LEU 8 HB3 LEU 8 -14.261 6.062 -6.194 57 HG LEU 8 HG LEU 8 -14.978 3.871 -8.142 58 HD11 LEU 8 HD11 LEU 8 -16.131 4.550 -5.701 59 HD12 LEU 8 HD12 LEU 8 -16.847 3.573 -6.983 60 HD13 LEU 8 HD13 LEU 8 -17.157 5.307 -6.919 61 HD21 LEU 8 HD21 LEU 8 -16.274 5.533 -9.305 62 HD22 LEU 8 HD22 LEU 8 -14.598 6.072 -9.211 63 HD23 LEU 8 HD23 LEU 8 -15.810 6.769 -8.137 64 H HIS 9 H HIS 9 -10.241 5.747 -8.044 65 HA HIS 9 HA HIS 9 -9.374 5.928 -5.267 66 HB2 HIS 9 HB2 HIS 9 -8.760 3.660 -7.094 67 HB3 HIS 9 HB3 HIS 9 -7.454 4.253 -6.074 68 HD1 HIS 9 HD1 HIS 9 -7.400 3.394 -3.738 69 HD2 HIS 9 HD2 HIS 9 -11.101 2.817 -5.538 70 HE1 HIS 9 HE1 HIS 9 -8.734 2.019 -2.108 71 H ASP 10 H ASP 10 -7.005 6.458 -5.136 72 HA ASP 10 HA ASP 10 -6.442 8.620 -6.921 73 HB2 ASP 10 HB2 ASP 10 -5.077 7.415 -4.542 74 HB3 ASP 10 HB3 ASP 10 -4.190 8.536 -5.571 75 H CYS 11 H CYS 11 -5.461 8.500 -8.819 76 HA CYS 11 HA CYS 11 -3.465 6.389 -9.261 77 HB2 CYS 11 HB2 CYS 11 -4.324 6.002 -11.512 78 HB3 CYS 11 HB3 CYS 11 -5.583 5.701 -10.320 79 H SER 12 H SER 12 -3.874 9.540 -8.962 80 HA SER 12 HA SER 12 -2.857 10.749 -11.260 81 HB2 SER 12 HB2 SER 12 -3.822 11.836 -9.128 82 HB3 SER 12 HB3 SER 12 -2.183 11.715 -8.486 83 HG SER 12 HG SER 12 -2.800 13.728 -9.634 84 H HIS 13 H HIS 13 -1.296 8.818 -8.872 85 HA HIS 13 HA HIS 13 1.371 9.736 -9.460 86 HB2 HIS 13 HB2 HIS 13 0.161 7.657 -7.699 87 HB3 HIS 13 HB3 HIS 13 1.852 7.467 -8.153 88 HD1 HIS 13 HD1 HIS 13 0.418 8.330 -5.298 89 HD2 HIS 13 HD2 HIS 13 2.751 10.626 -7.858 90 HE1 HIS 13 HE1 HIS 13 1.356 10.180 -3.877 91 H ASP 14 H ASP 14 -0.823 7.459 -10.778 92 HA ASP 14 HA ASP 14 0.967 6.804 -12.901 93 HB2 ASP 14 HB2 ASP 14 0.574 4.876 -10.672 94 HB3 ASP 14 HB3 ASP 14 0.561 4.227 -12.309 95 H ARG 15 H ARG 15 -0.255 6.654 -14.655 96 HA ARG 15 HA ARG 15 -3.117 6.293 -14.392 97 HB2 ARG 15 HB2 ARG 15 -1.435 6.772 -16.860 98 HB3 ARG 15 HB3 ARG 15 -3.190 6.841 -16.780 99 HG2 ARG 15 HG2 ARG 15 -3.156 8.793 -15.464 100 HG3 ARG 15 HG3 ARG 15 -1.434 8.623 -15.123 101 HD2 ARG 15 HD2 ARG 15 -0.899 9.766 -16.953 102 HD3 ARG 15 HD3 ARG 15 -1.889 8.710 -17.960 103 HE ARG 15 HE ARG 15 -3.661 10.397 -16.715 104 HH11 ARG 15 HH11 ARG 15 -0.896 10.761 -18.799 105 HH12 ARG 15 HH12 ARG 15 -1.473 12.224 -19.525 106 HH21 ARG 15 HH21 ARG 15 -4.431 12.323 -17.663 107 HH22 ARG 15 HH22 ARG 15 -3.483 13.113 -18.877 108 H HIS 16 H HIS 16 -0.410 4.347 -15.020 109 HA HIS 16 HA HIS 16 -2.082 2.278 -16.279 110 HB2 HIS 16 HB2 HIS 16 0.829 2.933 -16.462 111 HB3 HIS 16 HB3 HIS 16 0.322 1.260 -16.682 112 HD1 HIS 16 HD1 HIS 16 -2.326 1.895 -18.254 113 HD2 HIS 16 HD2 HIS 16 1.421 3.484 -19.088 114 HE1 HIS 16 HE1 HIS 16 -2.406 2.572 -20.675 115 H SER 17 H SER 17 -1.697 3.048 -13.359 116 HA SER 17 HA SER 17 -0.584 0.541 -12.325 117 HB2 SER 17 HB2 SER 17 -0.707 1.680 -10.108 118 HB3 SER 17 HB3 SER 17 0.298 2.540 -11.274 119 HG SER 17 HG SER 17 -1.462 3.941 -11.648 120 H CYS 18 H CYS 18 -3.554 2.198 -12.841 121 HA CYS 18 HA CYS 18 -5.223 1.172 -10.898 122 HB2 CYS 18 HB2 CYS 18 -5.602 2.064 -13.713 123 HB3 CYS 18 HB3 CYS 18 -6.920 1.169 -12.963 124 H CYS 19 H CYS 19 -6.746 -0.594 -10.942 125 HA CYS 19 HA CYS 19 -5.522 -3.066 -11.608 126 HB2 CYS 19 HB2 CYS 19 -8.436 -2.669 -10.927 127 HB3 CYS 19 HB3 CYS 19 -7.449 -4.102 -10.660 128 H ARG 20 H ARG 20 -6.383 -4.722 -13.011 129 HA ARG 20 HA ARG 20 -7.134 -3.650 -15.577 130 HB2 ARG 20 HB2 ARG 20 -5.490 -5.513 -15.284 131 HB3 ARG 20 HB3 ARG 20 -6.817 -6.542 -14.762 132 HG2 ARG 20 HG2 ARG 20 -7.561 -6.863 -16.853 133 HG3 ARG 20 HG3 ARG 20 -7.237 -5.197 -17.334 134 HD2 ARG 20 HD2 ARG 20 -4.718 -6.139 -17.019 135 HD3 ARG 20 HD3 ARG 20 -5.551 -7.597 -17.554 136 HE ARG 20 HE ARG 20 -6.289 -5.504 -19.248 137 HH11 ARG 20 HH11 ARG 20 -3.461 -7.359 -18.421 138 HH12 ARG 20 HH12 ARG 20 -2.731 -7.185 -19.983 139 HH21 ARG 20 HH21 ARG 20 -5.337 -5.268 -21.308 140 HH22 ARG 20 HH22 ARG 20 -3.798 -5.996 -21.624 141 H GLY 21 H GLY 21 -8.952 -4.415 -16.832 142 HA2 GLY 21 HA2 GLY 21 -11.294 -4.908 -15.114 143 HA3 GLY 21 HA3 GLY 21 -11.338 -4.143 -16.696 144 H ASP 22 H ASP 22 -13.143 -5.857 -16.739 145 HA ASP 22 HA ASP 22 -12.326 -8.577 -17.142 146 HB2 ASP 22 HB2 ASP 22 -14.682 -7.457 -16.459 147 HB3 ASP 22 HB3 ASP 22 -14.949 -7.673 -18.187 148 H MET 23 H MET 23 -12.640 -5.770 -19.121 149 HA MET 23 HA MET 23 -12.064 -7.412 -21.496 150 HB2 MET 23 HB2 MET 23 -13.578 -4.807 -21.583 151 HB3 MET 23 HB3 MET 23 -13.387 -5.989 -22.870 152 HG2 MET 23 HG2 MET 23 -15.463 -6.575 -22.245 153 HG3 MET 23 HG3 MET 23 -14.591 -7.527 -21.047 154 HE1 MET 23 HE1 MET 23 -17.904 -5.966 -19.373 155 HE2 MET 23 HE2 MET 23 -17.647 -6.496 -21.036 156 HE3 MET 23 HE3 MET 23 -17.087 -7.496 -19.695 157 H PHE 24 H PHE 24 -11.754 -4.199 -20.018 158 HA PHE 24 HA PHE 24 -9.058 -4.001 -21.107 159 HB2 PHE 24 HB2 PHE 24 -11.005 -1.721 -21.453 160 HB3 PHE 24 HB3 PHE 24 -9.376 -1.855 -22.107 161 HD1 PHE 24 HD1 PHE 24 -12.837 -3.054 -22.401 162 HD2 PHE 24 HD2 PHE 24 -8.941 -3.057 -24.116 163 HE1 PHE 24 HE1 PHE 24 -13.754 -4.016 -24.471 164 HE2 PHE 24 HE2 PHE 24 -9.851 -4.019 -26.189 165 HZ PHE 24 HZ PHE 24 -12.260 -4.501 -26.369 166 H LYS 25 H LYS 25 -7.663 -2.844 -19.841 167 HA LYS 25 HA LYS 25 -8.183 -2.554 -17.135 168 HB2 LYS 25 HB2 LYS 25 -5.940 -2.530 -18.500 169 HB3 LYS 25 HB3 LYS 25 -6.165 -0.786 -18.464 170 HG2 LYS 25 HG2 LYS 25 -6.535 -1.312 -15.872 171 HG3 LYS 25 HG3 LYS 25 -5.469 -2.656 -16.288 172 HD2 LYS 25 HD2 LYS 25 -4.868 0.224 -16.945 173 HD3 LYS 25 HD3 LYS 25 -4.297 -0.590 -15.487 174 HE2 LYS 25 HE2 LYS 25 -3.261 -2.319 -17.005 175 HE3 LYS 25 HE3 LYS 25 -3.639 -1.245 -18.352 176 HZ1 LYS 25 HZ1 LYS 25 -1.401 -1.172 -16.743 177 HZ2 LYS 25 HZ2 LYS 25 -2.318 0.172 -16.284 178 HZ3 LYS 25 HZ3 LYS 25 -1.860 -0.028 -17.901 179 H TYR 26 H TYR 26 -8.353 -0.660 -15.799 180 HA TYR 26 HA TYR 26 -10.307 1.177 -16.748 181 HB2 TYR 26 HB2 TYR 26 -8.679 1.217 -14.197 182 HB3 TYR 26 HB3 TYR 26 -10.092 2.216 -14.517 183 HD1 TYR 26 HD1 TYR 26 -11.919 0.285 -15.781 184 HD2 TYR 26 HD2 TYR 26 -9.317 -0.182 -12.448 185 HE1 TYR 26 HE1 TYR 26 -13.378 -1.488 -14.899 186 HE2 TYR 26 HE2 TYR 26 -10.769 -1.957 -11.557 187 HH TYR 26 HH TYR 26 -13.715 -2.424 -12.211 188 H VAL 27 H VAL 27 -10.087 3.545 -16.613 189 HA VAL 27 HA VAL 27 -7.432 4.402 -17.563 190 HB VAL 27 HB VAL 27 -8.799 6.365 -18.544 191 HG11 VAL 27 HG11 VAL 27 -7.676 4.649 -19.879 192 HG12 VAL 27 HG12 VAL 27 -9.084 3.597 -19.711 193 HG13 VAL 27 HG13 VAL 27 -9.218 5.117 -20.596 194 HG21 VAL 27 HG21 VAL 27 -10.872 5.680 -17.278 195 HG22 VAL 27 HG22 VAL 27 -11.097 5.996 -18.999 196 HG23 VAL 27 HG23 VAL 27 -11.017 4.335 -18.409 197 H CYS 28 H CYS 28 -6.458 6.168 -16.676 198 HA CYS 28 HA CYS 28 -7.543 7.099 -14.144 199 HB2 CYS 28 HB2 CYS 28 -5.157 6.396 -14.360 200 HB3 CYS 28 HB3 CYS 28 -4.891 7.762 -15.439 201 H ASP 29 H ASP 29 -8.939 8.731 -14.226 202 HA ASP 29 HA ASP 29 -8.732 10.751 -16.310 203 HB2 ASP 29 HB2 ASP 29 -10.803 10.071 -14.243 204 HB3 ASP 29 HB3 ASP 29 -10.854 11.615 -15.089 205 H CYS 30 H CYS 30 -8.743 13.027 -15.824 206 HA CYS 30 HA CYS 30 -7.737 13.740 -13.163 207 HB2 CYS 30 HB2 CYS 30 -6.431 14.383 -15.805 208 HB3 CYS 30 HB3 CYS 30 -6.095 15.296 -14.337 209 H PHE 31 H PHE 31 -8.425 15.681 -12.401 210 HA PHE 31 HA PHE 31 -9.718 17.562 -14.216 211 HB2 PHE 31 HB2 PHE 31 -11.126 16.406 -11.799 212 HB3 PHE 31 HB3 PHE 31 -11.741 17.697 -12.825 213 HD1 PHE 31 HD2 PHE 31 -12.156 17.163 -15.280 214 HD2 PHE 31 HD1 PHE 31 -11.553 14.178 -12.307 215 HE1 PHE 31 HE2 PHE 31 -13.216 15.495 -16.746 216 HE2 PHE 31 HE1 PHE 31 -12.611 12.505 -13.768 217 HZ PHE 31 HZ PHE 31 -13.444 13.162 -15.990 218 H TYR 32 H TYR 32 -10.654 19.442 -12.676 219 HA TYR 32 HA TYR 32 -8.769 19.995 -10.515 220 HB2 TYR 32 HB2 TYR 32 -9.243 22.095 -12.614 221 HB3 TYR 32 HB3 TYR 32 -7.975 22.024 -11.396 222 HD1 TYR 32 HD1 TYR 32 -9.106 20.697 -14.636 223 HD2 TYR 32 HD2 TYR 32 -5.956 20.784 -11.777 224 HE1 TYR 32 HE1 TYR 32 -7.591 19.673 -16.282 225 HE2 TYR 32 HE2 TYR 32 -4.432 19.762 -13.416 226 HH TYR 32 HH TYR 32 -5.179 18.131 -15.854 227 HA PRO 33 HA PRO 33 -12.254 21.794 -8.541 228 HB2 PRO 33 HB2 PRO 33 -11.063 23.686 -7.003 229 HB3 PRO 33 HB3 PRO 33 -10.949 21.956 -6.657 230 HG2 PRO 33 HG2 PRO 33 -8.977 23.751 -8.019 231 HG3 PRO 33 HG3 PRO 33 -8.691 22.490 -6.806 232 HD2 PRO 33 HD2 PRO 33 -8.268 22.088 -9.449 233 HD3 PRO 33 HD3 PRO 33 -8.799 20.792 -8.359 234 H GLU 34 H GLU 34 -12.845 22.670 -10.770 235 HA GLU 34 HA GLU 34 -13.562 24.363 -12.115 236 HB2 GLU 34 HB2 GLU 34 -14.628 24.815 -9.744 237 HB3 GLU 34 HB3 GLU 34 -13.581 26.226 -9.780 238 HG2 GLU 34 HG2 GLU 34 -14.783 27.253 -11.395 239 HG3 GLU 34 HG3 GLU 34 -15.236 25.740 -12.177 240 H GLY 35 H GLY 35 -10.666 24.087 -11.650 241 HA2 GLY 35 HA2 GLY 35 -9.757 26.282 -13.125 242 HA3 GLY 35 HA3 GLY 35 -9.434 26.615 -11.430 243 H GLU 36 H GLU 36 -7.990 25.583 -14.112 244 HA GLU 36 HA GLU 36 -6.595 23.265 -13.189 245 HB2 GLU 36 HB2 GLU 36 -7.008 24.131 -15.627 246 HB3 GLU 36 HB3 GLU 36 -5.535 25.049 -15.348 247 HG2 GLU 36 HG2 GLU 36 -4.912 22.481 -14.512 248 HG3 GLU 36 HG3 GLU 36 -5.881 22.251 -15.967 249 H ASP 37 H ASP 37 -6.289 26.592 -12.599 250 HA ASP 37 HA ASP 37 -3.455 26.411 -11.910 251 HB2 ASP 37 HB2 ASP 37 -5.399 28.700 -12.125 252 HB3 ASP 37 HB3 ASP 37 -3.834 28.896 -11.342 253 H LYS 38 H LYS 38 -5.207 24.837 -10.365 254 HA LYS 38 HA LYS 38 -4.868 26.128 -7.746 255 HB2 LYS 38 HB2 LYS 38 -7.279 24.568 -8.687 256 HB3 LYS 38 HB3 LYS 38 -6.982 24.999 -7.008 257 HG2 LYS 38 HG2 LYS 38 -6.801 27.309 -8.731 258 HG3 LYS 38 HG3 LYS 38 -8.356 26.491 -8.901 259 HD2 LYS 38 HD2 LYS 38 -7.394 26.821 -6.136 260 HD3 LYS 38 HD3 LYS 38 -7.801 28.316 -6.982 261 HE2 LYS 38 HE2 LYS 38 -9.994 27.893 -6.883 262 HE3 LYS 38 HE3 LYS 38 -9.776 26.217 -7.386 263 HZ1 LYS 38 HZ1 LYS 38 -9.106 25.707 -5.082 264 HZ2 LYS 38 HZ2 LYS 38 -10.699 26.267 -5.194 265 HZ3 LYS 38 HZ3 LYS 38 -9.478 27.296 -4.637 266 H THR 39 H THR 39 -6.119 22.967 -8.785 267 HA THR 39 HA THR 39 -3.725 21.604 -7.920 268 HB THR 39 HB THR 39 -6.302 21.065 -6.433 269 HG1 THR 39 HG1 THR 39 -5.598 22.420 -4.962 270 HG21 THR 39 HG21 THR 39 -3.510 19.984 -6.026 271 HG22 THR 39 HG22 THR 39 -4.857 19.098 -6.742 272 HG23 THR 39 HG23 THR 39 -4.928 19.598 -5.052 273 H GLU 40 H GLU 40 -3.483 19.686 -8.937 274 HA GLU 40 HA GLU 40 -5.602 18.890 -10.780 275 HB2 GLU 40 HB2 GLU 40 -3.824 17.398 -11.735 276 HB3 GLU 40 HB3 GLU 40 -3.454 19.115 -11.800 277 HG2 GLU 40 HG2 GLU 40 -2.468 17.912 -9.367 278 HG3 GLU 40 HG3 GLU 40 -1.843 17.096 -10.798 279 H VAL 41 H VAL 41 -7.036 17.462 -10.070 280 HA VAL 41 HA VAL 41 -6.127 15.333 -8.247 281 HB VAL 41 HB VAL 41 -8.966 16.288 -8.608 282 HG11 VAL 41 HG11 VAL 41 -9.517 14.948 -6.775 283 HG12 VAL 41 HG12 VAL 41 -8.422 13.941 -7.725 284 HG13 VAL 41 HG13 VAL 41 -7.834 14.768 -6.282 285 HG21 VAL 41 HG21 VAL 41 -7.846 18.148 -7.695 286 HG22 VAL 41 HG22 VAL 41 -8.578 17.324 -6.318 287 HG23 VAL 41 HG23 VAL 41 -6.855 17.136 -6.643 288 H CYS 42 H CYS 42 -5.981 13.382 -9.115 289 HA CYS 42 HA CYS 42 -7.675 12.743 -11.441 290 HB2 CYS 42 HB2 CYS 42 -5.004 11.526 -10.709 291 HB3 CYS 42 HB3 CYS 42 -5.939 11.200 -12.164 292 H SER 43 H SER 43 -8.572 10.649 -11.589 293 HA SER 43 HA SER 43 -8.394 8.904 -9.269 294 HB2 SER 43 HB2 SER 43 -11.021 8.818 -9.354 295 HB3 SER 43 HB3 SER 43 -10.209 10.086 -8.435 296 HG SER 43 HG SER 43 -10.904 10.472 -11.140 297 H CYS 44 H CYS 44 -9.265 6.791 -9.640 298 HA CYS 44 HA CYS 44 -8.881 5.897 -12.324 299 HB2 CYS 44 HB2 CYS 44 -8.485 4.687 -9.999 300 HB3 CYS 44 HB3 CYS 44 -10.137 4.138 -10.265 301 H GLN 45 H GLN 45 -10.331 5.703 -13.895 302 HA GLN 45 HA GLN 45 -13.153 5.323 -13.221 303 HB2 GLN 45 HB2 GLN 45 -12.072 7.511 -14.996 304 HB3 GLN 45 HB3 GLN 45 -13.759 7.016 -14.990 305 HG2 GLN 45 HG2 GLN 45 -12.654 7.645 -12.348 306 HG3 GLN 45 HG3 GLN 45 -12.722 9.002 -13.471 307 HE21 GLN 45 HE21 GLN 45 -14.485 6.927 -11.423 308 HE22 GLN 45 HE22 GLN 45 -16.055 7.582 -11.722 309 H GLN 46 H GLN 46 -14.439 4.931 -15.325 310 HA GLN 46 HA GLN 46 -12.946 2.942 -16.858 311 HB2 GLN 46 HB2 GLN 46 -15.913 3.428 -16.999 312 HB3 GLN 46 HB3 GLN 46 -15.027 1.969 -17.420 313 HG2 GLN 46 HG2 GLN 46 -14.450 2.442 -14.728 314 HG3 GLN 46 HG3 GLN 46 -16.177 2.752 -14.909 315 HE21 GLN 46 HE21 GLN 46 -16.838 0.953 -13.803 316 HE22 GLN 46 HE22 GLN 46 -16.628 -0.655 -14.398 317 HA PRO 47 HA PRO 47 -12.716 5.401 -20.493 318 HB2 PRO 47 HB2 PRO 47 -12.660 3.444 -22.374 319 HB3 PRO 47 HB3 PRO 47 -11.289 3.798 -21.316 320 HG2 PRO 47 HG2 PRO 47 -13.359 1.649 -21.080 321 HG3 PRO 47 HG3 PRO 47 -11.607 1.546 -20.830 322 HD2 PRO 47 HD2 PRO 47 -13.364 1.736 -18.778 323 HD3 PRO 47 HD3 PRO 47 -11.732 2.433 -18.706 324 H LYS 48 H LYS 48 -14.019 6.301 -22.036 325 HA LYS 48 HA LYS 48 -16.795 5.940 -21.859 326 HB2 LYS 48 HB2 LYS 48 -14.977 7.666 -23.250 327 HB3 LYS 48 HB3 LYS 48 -16.204 7.103 -24.377 328 HG2 LYS 48 HG2 LYS 48 -17.474 8.750 -23.598 329 HG3 LYS 48 HG3 LYS 48 -17.663 7.775 -22.139 330 HD2 LYS 48 HD2 LYS 48 -16.117 9.005 -20.955 331 HD3 LYS 48 HD3 LYS 48 -15.272 9.539 -22.410 332 HE2 LYS 48 HE2 LYS 48 -18.085 10.417 -21.922 333 HE3 LYS 48 HE3 LYS 48 -16.764 11.208 -21.064 334 HZ1 LYS 48 HZ1 LYS 48 -17.472 12.236 -23.238 335 HZ2 LYS 48 HZ2 LYS 48 -16.774 10.903 -24.008 336 HZ3 LYS 48 HZ3 LYS 48 -15.817 11.932 -23.067 337 H SER 49 H SER 49 -14.423 4.229 -23.627 338 HA SER 49 HA SER 49 -16.016 3.336 -25.796 339 HB2 SER 49 HB2 SER 49 -13.381 3.190 -25.260 340 HB3 SER 49 HB3 SER 49 -13.861 1.560 -24.789 341 HG SER 49 HG SER 49 -14.035 1.085 -26.819 342 H HIS 50 H HIS 50 -15.024 1.682 -22.795 343 HA HIS 50 HA HIS 50 -16.745 -0.541 -23.210 344 HB2 HIS 50 HB2 HIS 50 -15.430 -1.373 -21.607 345 HB3 HIS 50 HB3 HIS 50 -14.727 0.220 -21.344 346 HD1 HIS 50 HD1 HIS 50 -16.896 -2.289 -19.794 347 HD2 HIS 50 HD2 HIS 50 -16.096 1.759 -19.304 348 HE1 HIS 50 HE1 HIS 50 -17.812 -1.691 -17.530 349 H LYS 51 H LYS 51 -17.062 2.520 -21.532 350 HA LYS 51 HA LYS 51 -19.391 1.929 -20.058 351 HB2 LYS 51 HB2 LYS 51 -17.695 4.103 -20.320 352 HB3 LYS 51 HB3 LYS 51 -19.218 4.696 -20.971 353 HG2 LYS 51 HG2 LYS 51 -19.901 5.068 -18.902 354 HG3 LYS 51 HG3 LYS 51 -19.868 3.327 -18.612 355 HD2 LYS 51 HD2 LYS 51 -17.842 3.407 -17.545 356 HD3 LYS 51 HD3 LYS 51 -17.307 4.835 -18.435 357 HE2 LYS 51 HE2 LYS 51 -19.511 4.913 -16.387 358 HE3 LYS 51 HE3 LYS 51 -17.815 5.162 -15.974 359 HZ1 LYS 51 HZ1 LYS 51 -17.973 6.907 -17.892 360 HZ2 LYS 51 HZ2 LYS 51 -18.495 7.297 -16.331 361 HZ3 LYS 51 HZ3 LYS 51 -19.624 6.877 -17.519 362 H ILE 52 H ILE 52 -19.019 3.665 -23.153 363 HA ILE 52 HA ILE 52 -21.787 3.879 -23.665 364 HB ILE 52 HB ILE 52 -19.477 3.923 -25.611 365 HG12 ILE 52 HG12 ILE 52 -21.015 6.277 -24.527 366 HG13 ILE 52 HG13 ILE 52 -19.586 5.648 -23.714 367 HG21 ILE 52 HG21 ILE 52 -21.457 5.440 -26.713 368 HG22 ILE 52 HG22 ILE 52 -21.101 3.768 -27.147 369 HG23 ILE 52 HG23 ILE 52 -22.373 4.124 -25.978 370 HD11 ILE 52 HD11 ILE 52 -18.368 6.958 -25.012 371 HD12 ILE 52 HD12 ILE 52 -18.848 5.964 -26.388 372 HD13 ILE 52 HD13 ILE 52 -19.779 7.403 -25.971 373 H ALA 53 H ALA 53 -19.348 1.532 -24.723 374 HA ALA 53 HA ALA 53 -20.954 0.043 -26.460 375 HB1 ALA 53 HB1 ALA 53 -18.666 -0.927 -24.751 376 HB2 ALA 53 HB2 ALA 53 -19.330 -1.754 -26.161 377 HB3 ALA 53 HB3 ALA 53 -18.527 -0.196 -26.350 378 H GLU 54 H GLU 54 -20.269 -0.489 -23.003 379 HA GLU 54 HA GLU 54 -21.886 -2.760 -22.695 380 HB2 GLU 54 HB2 GLU 54 -20.866 -0.682 -20.780 381 HB3 GLU 54 HB3 GLU 54 -21.939 -1.963 -20.232 382 HG2 GLU 54 HG2 GLU 54 -19.488 -2.667 -21.772 383 HG3 GLU 54 HG3 GLU 54 -19.354 -2.236 -20.068 384 H LYS 55 H LYS 55 -22.596 0.675 -22.129 385 HA LYS 55 HA LYS 55 -25.182 0.433 -21.159 386 HB2 LYS 55 HB2 LYS 55 -23.839 2.579 -22.787 387 HB3 LYS 55 HB3 LYS 55 -25.508 2.737 -22.255 388 HG2 LYS 55 HG2 LYS 55 -23.239 2.213 -20.357 389 HG3 LYS 55 HG3 LYS 55 -23.760 3.838 -20.810 390 HD2 LYS 55 HD2 LYS 55 -26.118 2.572 -20.135 391 HD3 LYS 55 HD3 LYS 55 -24.963 1.933 -18.963 392 HE2 LYS 55 HE2 LYS 55 -25.661 3.824 -17.872 393 HE3 LYS 55 HE3 LYS 55 -24.271 4.458 -18.752 394 HZ1 LYS 55 HZ1 LYS 55 -25.762 5.279 -20.459 395 HZ2 LYS 55 HZ2 LYS 55 -26.193 5.910 -18.950 396 HZ3 LYS 55 HZ3 LYS 55 -27.100 4.655 -19.632 397 H ILE 56 H ILE 56 -24.156 0.883 -24.541 398 HA ILE 56 HA ILE 56 -26.683 0.800 -25.710 399 HB ILE 56 HB ILE 56 -24.070 -0.166 -26.877 400 HG12 ILE 56 HG12 ILE 56 -25.366 2.465 -27.489 401 HG13 ILE 56 HG13 ILE 56 -24.416 2.292 -26.017 402 HG21 ILE 56 HG21 ILE 56 -25.416 -0.966 -28.485 403 HG22 ILE 56 HG22 ILE 56 -26.793 -0.003 -27.952 404 HG23 ILE 56 HG23 ILE 56 -25.550 0.724 -28.971 405 HD11 ILE 56 HD11 ILE 56 -23.120 3.218 -27.877 406 HD12 ILE 56 HD12 ILE 56 -22.471 1.677 -27.314 407 HD13 ILE 56 HD13 ILE 56 -23.416 1.746 -28.803 408 H ILE 57 H ILE 57 -24.350 -1.867 -25.308 409 HA ILE 57 HA ILE 57 -25.924 -3.904 -26.361 410 HB ILE 57 HB ILE 57 -23.895 -4.108 -24.133 411 HG12 ILE 57 HG12 ILE 57 -23.440 -4.761 -27.033 412 HG13 ILE 57 HG13 ILE 57 -23.237 -3.118 -26.435 413 HG21 ILE 57 HG21 ILE 57 -25.169 -6.100 -24.108 414 HG22 ILE 57 HG22 ILE 57 -25.192 -6.193 -25.868 415 HG23 ILE 57 HG23 ILE 57 -23.689 -6.476 -24.991 416 HD11 ILE 57 HD11 ILE 57 -21.595 -5.533 -25.958 417 HD12 ILE 57 HD12 ILE 57 -21.108 -3.858 -26.221 418 HD13 ILE 57 HD13 ILE 57 -21.729 -4.359 -24.648 419 H ASP 58 H ASP 58 -25.754 -2.653 -23.057 420 HA ASP 58 HA ASP 58 -27.398 -4.544 -21.819 421 HB2 ASP 58 HB2 ASP 58 -26.774 -1.664 -21.210 422 HB3 ASP 58 HB3 ASP 58 -27.896 -2.584 -20.211 423 H LYS 59 H LYS 59 -28.320 -1.273 -22.913 424 HA LYS 59 HA LYS 59 -31.080 -1.631 -22.565 425 HB2 LYS 59 HB2 LYS 59 -29.484 0.253 -24.296 426 HB3 LYS 59 HB3 LYS 59 -31.240 0.308 -24.222 427 HG2 LYS 59 HG2 LYS 59 -29.903 0.328 -21.612 428 HG3 LYS 59 HG3 LYS 59 -29.582 1.735 -22.628 429 HD2 LYS 59 HD2 LYS 59 -32.396 0.843 -22.459 430 HD3 LYS 59 HD3 LYS 59 -31.705 1.549 -20.996 431 HE2 LYS 59 HE2 LYS 59 -31.601 3.614 -21.891 432 HE3 LYS 59 HE3 LYS 59 -31.135 3.013 -23.482 433 HZ1 LYS 59 HZ1 LYS 59 -33.625 2.186 -23.439 434 HZ2 LYS 59 HZ2 LYS 59 -33.212 3.743 -23.955 435 HZ3 LYS 59 HZ3 LYS 59 -33.797 3.498 -22.386 436 H ALA 60 H ALA 60 -28.937 -2.609 -25.099 437 HA ALA 60 HA ALA 60 -30.837 -2.917 -27.175 438 HB1 ALA 60 HB1 ALA 60 -28.474 -2.835 -27.665 439 HB2 ALA 60 HB2 ALA 60 -28.197 -4.305 -26.730 440 HB3 ALA 60 HB3 ALA 60 -29.138 -4.371 -28.220 441 H LYS 61 H LYS 61 -29.302 -5.398 -25.116 442 HA LYS 61 HA LYS 61 -31.101 -7.446 -25.913 443 HB2 LYS 61 HB2 LYS 61 -30.104 -8.727 -24.034 444 HB3 LYS 61 HB3 LYS 61 -28.900 -8.027 -25.108 445 HG2 LYS 61 HG2 LYS 61 -27.950 -7.430 -23.156 446 HG3 LYS 61 HG3 LYS 61 -29.056 -6.062 -23.301 447 HD2 LYS 61 HD2 LYS 61 -29.252 -6.915 -21.081 448 HD3 LYS 61 HD3 LYS 61 -30.715 -7.374 -21.956 449 HE2 LYS 61 HE2 LYS 61 -29.993 -9.609 -22.186 450 HE3 LYS 61 HE3 LYS 61 -28.344 -9.206 -21.710 451 HZ1 LYS 61 HZ1 LYS 61 -30.676 -9.710 -20.061 452 HZ2 LYS 61 HZ2 LYS 61 -29.690 -8.436 -19.548 453 HZ3 LYS 61 HZ3 LYS 61 -29.039 -9.986 -19.736 454 H THR 62 H THR 62 -31.146 -5.026 -23.422 455 HA THR 62 HA THR 62 -33.170 -6.268 -21.820 456 HB THR 62 HB THR 62 -32.233 -3.393 -21.885 457 HG1 THR 62 HG1 THR 62 -31.650 -5.265 -19.858 458 HG21 THR 62 HG21 THR 62 -34.190 -3.119 -20.757 459 HG22 THR 62 HG22 THR 62 -33.210 -3.707 -19.415 460 HG23 THR 62 HG23 THR 62 -34.278 -4.814 -20.278 461 H THR 63 H THR 63 -33.136 -4.257 -24.632 462 HA THR 63 HA THR 63 -35.991 -3.653 -24.361 463 HB THR 63 HB THR 63 -33.975 -2.658 -26.386 464 HG1 THR 63 HG1 THR 63 -34.961 -1.687 -23.945 465 HG21 THR 63 HG21 THR 63 -35.847 -2.306 -27.607 466 HG22 THR 63 HG22 THR 63 -36.057 -0.934 -26.519 467 HG23 THR 63 HG23 THR 63 -36.911 -2.445 -26.208 468 H LEU 64 H LEU 64 -33.766 -5.627 -26.142 469 HA LEU 64 HA LEU 64 -34.024 -7.172 -27.795 470 HB2 LEU 64 HB2 LEU 64 -36.546 -7.288 -26.230 471 HB3 LEU 64 HB3 LEU 64 -36.480 -8.172 -27.752 472 HG LEU 64 HG LEU 64 -34.492 -8.558 -25.521 473 HD11 LEU 64 HD11 LEU 64 -36.361 -9.341 -24.466 474 HD12 LEU 64 HD12 LEU 64 -35.893 -10.781 -25.369 475 HD13 LEU 64 HD13 LEU 64 -37.183 -9.742 -25.975 476 HD21 LEU 64 HD21 LEU 64 -35.082 -9.943 -28.114 477 HD22 LEU 64 HD22 LEU 64 -34.284 -10.787 -26.786 478 HD23 LEU 64 HD23 LEU 64 -33.540 -9.352 -27.494 Start of MODEL 13 1 H1 ALA 1 H ALA 1 -10.143 -8.244 -5.000 2 HA ALA 1 HA ALA 1 -7.586 -8.193 -6.165 3 HB1 ALA 1 HB1 ALA 1 -9.926 -6.558 -6.176 4 HB2 ALA 1 HB2 ALA 1 -8.506 -5.536 -5.955 5 HB3 ALA 1 HB3 ALA 1 -8.606 -6.616 -7.345 6 H LYS 2 H LYS 2 -5.685 -7.879 -5.233 7 HA LYS 2 HA LYS 2 -5.525 -6.062 -2.922 8 HB2 LYS 2 HB2 LYS 2 -5.123 -8.802 -2.819 9 HB3 LYS 2 HB3 LYS 2 -3.492 -8.154 -2.934 10 HG2 LYS 2 HG2 LYS 2 -5.240 -6.802 -0.999 11 HG3 LYS 2 HG3 LYS 2 -4.843 -8.481 -0.623 12 HD2 LYS 2 HD2 LYS 2 -2.490 -8.004 -0.720 13 HD3 LYS 2 HD3 LYS 2 -2.801 -6.368 -1.308 14 HE2 LYS 2 HE2 LYS 2 -3.761 -5.724 0.778 15 HE3 LYS 2 HE3 LYS 2 -3.763 -7.387 1.358 16 HZ1 LYS 2 HZ1 LYS 2 -1.920 -5.810 2.146 17 HZ2 LYS 2 HZ2 LYS 2 -1.234 -6.062 0.622 18 HZ3 LYS 2 HZ3 LYS 2 -1.484 -7.372 1.663 19 H ALA 3 H ALA 3 -3.843 -4.645 -2.898 20 HA ALA 3 HA ALA 3 -2.089 -3.403 -3.647 21 HB1 ALA 3 HB1 ALA 3 -1.125 -5.893 -3.585 22 HB2 ALA 3 HB2 ALA 3 -0.974 -5.576 -5.313 23 HB3 ALA 3 HB3 ALA 3 -0.181 -4.515 -4.150 24 H CYS 4 H CYS 4 -4.526 -3.367 -5.111 25 HA CYS 4 HA CYS 4 -3.487 -2.622 -7.758 26 HB2 CYS 4 HB2 CYS 4 -5.684 -4.494 -7.102 27 HB3 CYS 4 HB3 CYS 4 -6.015 -3.344 -8.393 28 H THR 5 H THR 5 -4.886 -1.070 -8.903 29 HA THR 5 HA THR 5 -6.296 0.688 -7.003 30 HB THR 5 HB THR 5 -4.749 1.470 -9.481 31 HG1 THR 5 HG1 THR 5 -3.509 0.944 -7.559 32 HG21 THR 5 HG21 THR 5 -5.825 3.420 -9.471 33 HG22 THR 5 HG22 THR 5 -5.440 3.659 -7.767 34 HG23 THR 5 HG23 THR 5 -6.903 2.788 -8.227 35 HA PRO 6 HA PRO 6 -9.448 -0.714 -10.067 36 HB2 PRO 6 HB2 PRO 6 -11.461 -0.865 -8.250 37 HB3 PRO 6 HB3 PRO 6 -10.320 -2.186 -8.533 38 HG2 PRO 6 HG2 PRO 6 -10.329 -0.123 -6.363 39 HG3 PRO 6 HG3 PRO 6 -10.010 -1.863 -6.250 40 HD2 PRO 6 HD2 PRO 6 -8.028 -0.017 -6.286 41 HD3 PRO 6 HD3 PRO 6 -7.836 -1.639 -6.982 42 H LEU 7 H LEU 7 -11.952 0.189 -9.895 43 HA LEU 7 HA LEU 7 -11.780 2.882 -10.649 44 HB2 LEU 7 HB2 LEU 7 -13.568 1.662 -11.532 45 HB3 LEU 7 HB3 LEU 7 -14.067 1.077 -9.947 46 HG LEU 7 HG LEU 7 -14.784 3.417 -9.407 47 HD11 LEU 7 HD11 LEU 7 -13.425 3.979 -11.816 48 HD12 LEU 7 HD12 LEU 7 -14.284 5.098 -10.758 49 HD13 LEU 7 HD13 LEU 7 -15.136 4.315 -12.089 50 HD21 LEU 7 HD21 LEU 7 -16.309 1.597 -10.202 51 HD22 LEU 7 HD22 LEU 7 -16.151 2.261 -11.829 52 HD23 LEU 7 HD23 LEU 7 -16.869 3.234 -10.544 53 H LEU 8 H LEU 8 -12.558 4.779 -9.653 54 HA LEU 8 HA LEU 8 -12.783 6.266 -7.948 55 HB2 LEU 8 HB2 LEU 8 -14.106 3.831 -6.815 56 HB3 LEU 8 HB3 LEU 8 -13.919 5.285 -5.836 57 HG LEU 8 HG LEU 8 -15.433 5.084 -8.439 58 HD11 LEU 8 HD11 LEU 8 -16.720 3.995 -6.807 59 HD12 LEU 8 HD12 LEU 8 -17.364 5.635 -6.880 60 HD13 LEU 8 HD13 LEU 8 -16.289 5.168 -5.562 61 HD21 LEU 8 HD21 LEU 8 -16.204 7.377 -7.801 62 HD22 LEU 8 HD22 LEU 8 -14.505 7.273 -8.265 63 HD23 LEU 8 HD23 LEU 8 -14.949 7.389 -6.561 64 H HIS 9 H HIS 9 -10.284 5.661 -8.127 65 HA HIS 9 HA HIS 9 -9.377 5.472 -5.362 66 HB2 HIS 9 HB2 HIS 9 -8.770 3.502 -7.491 67 HB3 HIS 9 HB3 HIS 9 -7.412 4.016 -6.495 68 HD1 HIS 9 HD1 HIS 9 -7.101 2.722 -4.413 69 HD2 HIS 9 HD2 HIS 9 -11.019 2.532 -5.779 70 HE1 HIS 9 HE1 HIS 9 -8.280 1.142 -2.852 71 H ASP 10 H ASP 10 -6.997 6.025 -5.209 72 HA ASP 10 HA ASP 10 -6.545 8.449 -6.682 73 HB2 ASP 10 HB2 ASP 10 -4.411 8.513 -5.323 74 HB3 ASP 10 HB3 ASP 10 -5.903 8.469 -4.386 75 H CYS 11 H CYS 11 -5.618 8.562 -8.606 76 HA CYS 11 HA CYS 11 -3.494 6.641 -9.273 77 HB2 CYS 11 HB2 CYS 11 -4.348 6.388 -11.521 78 HB3 CYS 11 HB3 CYS 11 -5.626 5.985 -10.378 79 H SER 12 H SER 12 -4.089 9.712 -8.637 80 HA SER 12 HA SER 12 -3.124 11.187 -10.818 81 HB2 SER 12 HB2 SER 12 -4.215 11.947 -8.546 82 HB3 SER 12 HB3 SER 12 -2.538 12.056 -8.012 83 HG SER 12 HG SER 12 -2.140 13.529 -9.651 84 H HIS 13 H HIS 13 -1.494 9.265 -8.440 85 HA HIS 13 HA HIS 13 1.109 10.402 -8.914 86 HB2 HIS 13 HB2 HIS 13 0.348 7.829 -7.516 87 HB3 HIS 13 HB3 HIS 13 1.928 8.606 -7.463 88 HD1 HIS 13 HD1 HIS 13 0.627 11.535 -7.080 89 HD2 HIS 13 HD2 HIS 13 -0.067 8.149 -4.777 90 HE1 HIS 13 HE1 HIS 13 -0.160 12.389 -4.850 91 H ASP 14 H ASP 14 -0.872 8.146 -10.485 92 HA ASP 14 HA ASP 14 1.034 7.664 -12.525 93 HB2 ASP 14 HB2 ASP 14 0.883 5.728 -10.329 94 HB3 ASP 14 HB3 ASP 14 0.658 5.006 -11.920 95 H ARG 15 H ARG 15 -0.256 7.786 -14.231 96 HA ARG 15 HA ARG 15 -3.037 7.158 -14.119 97 HB2 ARG 15 HB2 ARG 15 -1.447 7.553 -16.646 98 HB3 ARG 15 HB3 ARG 15 -3.147 7.903 -16.360 99 HG2 ARG 15 HG2 ARG 15 -2.477 9.704 -14.806 100 HG3 ARG 15 HG3 ARG 15 -0.791 9.387 -15.220 101 HD2 ARG 15 HD2 ARG 15 -2.691 9.854 -17.450 102 HD3 ARG 15 HD3 ARG 15 -2.243 11.241 -16.459 103 HE ARG 15 HE ARG 15 0.122 9.994 -17.113 104 HH11 ARG 15 HH11 ARG 15 -2.530 11.449 -18.836 105 HH12 ARG 15 HH12 ARG 15 -1.556 11.945 -20.181 106 HH21 ARG 15 HH21 ARG 15 1.416 10.640 -18.878 107 HH22 ARG 15 HH22 ARG 15 0.688 11.482 -20.203 108 H HIS 16 H HIS 16 -0.252 5.302 -14.632 109 HA HIS 16 HA HIS 16 -1.774 3.205 -16.025 110 HB2 HIS 16 HB2 HIS 16 1.109 3.953 -15.963 111 HB3 HIS 16 HB3 HIS 16 0.710 2.249 -16.156 112 HD1 HIS 16 HD1 HIS 16 -0.551 1.572 -18.342 113 HD2 HIS 16 HD2 HIS 16 0.629 5.552 -18.180 114 HE1 HIS 16 HE1 HIS 16 -0.775 2.436 -20.693 115 H SER 17 H SER 17 -1.819 3.897 -13.114 116 HA SER 17 HA SER 17 -0.535 1.623 -11.850 117 HB2 SER 17 HB2 SER 17 -1.930 4.080 -10.913 118 HB3 SER 17 HB3 SER 17 -1.952 2.680 -9.841 119 HG SER 17 HG SER 17 -0.051 3.395 -9.286 120 H CYS 18 H CYS 18 -3.792 2.743 -12.620 121 HA CYS 18 HA CYS 18 -5.317 0.885 -11.267 122 HB2 CYS 18 HB2 CYS 18 -5.754 2.160 -13.969 123 HB3 CYS 18 HB3 CYS 18 -6.972 1.176 -13.164 124 H CYS 19 H CYS 19 -5.760 -1.229 -11.470 125 HA CYS 19 HA CYS 19 -4.186 -2.795 -13.303 126 HB2 CYS 19 HB2 CYS 19 -6.203 -3.532 -11.179 127 HB3 CYS 19 HB3 CYS 19 -5.381 -4.725 -12.179 128 H ARG 20 H ARG 20 -5.230 -4.598 -14.547 129 HA ARG 20 HA ARG 20 -7.259 -3.486 -16.259 130 HB2 ARG 20 HB2 ARG 20 -5.385 -4.779 -17.184 131 HB3 ARG 20 HB3 ARG 20 -5.929 -6.202 -16.306 132 HG2 ARG 20 HG2 ARG 20 -7.717 -6.551 -17.701 133 HG3 ARG 20 HG3 ARG 20 -7.802 -4.858 -18.190 134 HD2 ARG 20 HD2 ARG 20 -6.465 -5.213 -19.935 135 HD3 ARG 20 HD3 ARG 20 -5.274 -6.040 -18.932 136 HE ARG 20 HE ARG 20 -7.385 -7.804 -19.348 137 HH11 ARG 20 HH11 ARG 20 -4.942 -6.172 -21.216 138 HH12 ARG 20 HH12 ARG 20 -4.852 -7.411 -22.422 139 HH21 ARG 20 HH21 ARG 20 -7.276 -9.442 -20.930 140 HH22 ARG 20 HH22 ARG 20 -6.180 -9.271 -22.260 141 H GLY 21 H GLY 21 -9.294 -4.437 -16.728 142 HA2 GLY 21 HA2 GLY 21 -10.468 -5.765 -14.394 143 HA3 GLY 21 HA3 GLY 21 -11.353 -4.937 -15.666 144 H ASP 22 H ASP 22 -12.726 -6.827 -15.701 145 HA ASP 22 HA ASP 22 -11.633 -9.348 -16.548 146 HB2 ASP 22 HB2 ASP 22 -14.233 -8.321 -15.691 147 HB3 ASP 22 HB3 ASP 22 -14.354 -9.487 -17.006 148 H MET 23 H MET 23 -13.231 -6.614 -18.066 149 HA MET 23 HA MET 23 -13.149 -7.973 -20.662 150 HB2 MET 23 HB2 MET 23 -14.621 -5.581 -19.611 151 HB3 MET 23 HB3 MET 23 -14.389 -5.780 -21.344 152 HG2 MET 23 HG2 MET 23 -15.577 -7.855 -21.329 153 HG3 MET 23 HG3 MET 23 -15.664 -7.845 -19.570 154 HE1 MET 23 HE1 MET 23 -17.826 -8.600 -20.936 155 HE2 MET 23 HE2 MET 23 -19.016 -7.775 -19.928 156 HE3 MET 23 HE3 MET 23 -18.977 -7.480 -21.667 157 H PHE 24 H PHE 24 -12.492 -4.671 -19.471 158 HA PHE 24 HA PHE 24 -10.022 -4.666 -21.055 159 HB2 PHE 24 HB2 PHE 24 -11.897 -2.302 -20.993 160 HB3 PHE 24 HB3 PHE 24 -10.478 -2.530 -22.011 161 HD1 PHE 24 HD2 PHE 24 -10.542 -4.185 -23.856 162 HD2 PHE 24 HD1 PHE 24 -14.011 -3.149 -21.619 163 HE1 PHE 24 HE2 PHE 24 -11.963 -5.130 -25.629 164 HE2 PHE 24 HE1 PHE 24 -15.438 -4.093 -23.386 165 HZ PHE 24 HZ PHE 24 -14.414 -5.087 -25.395 166 H LYS 25 H LYS 25 -8.710 -2.613 -20.506 167 HA LYS 25 HA LYS 25 -8.385 -2.577 -17.641 168 HB2 LYS 25 HB2 LYS 25 -6.608 -2.450 -19.651 169 HB3 LYS 25 HB3 LYS 25 -6.817 -0.729 -19.355 170 HG2 LYS 25 HG2 LYS 25 -6.490 -1.730 -16.826 171 HG3 LYS 25 HG3 LYS 25 -5.415 -2.746 -17.788 172 HD2 LYS 25 HD2 LYS 25 -5.018 -0.134 -18.717 173 HD3 LYS 25 HD3 LYS 25 -5.088 -0.007 -16.957 174 HE2 LYS 25 HE2 LYS 25 -3.387 -1.764 -16.775 175 HE3 LYS 25 HE3 LYS 25 -3.312 -1.870 -18.533 176 HZ1 LYS 25 HZ1 LYS 25 -2.926 0.773 -18.022 177 HZ2 LYS 25 HZ2 LYS 25 -1.715 -0.350 -18.382 178 HZ3 LYS 25 HZ3 LYS 25 -2.075 0.017 -16.770 179 H TYR 26 H TYR 26 -8.220 -0.594 -16.394 180 HA TYR 26 HA TYR 26 -10.356 1.248 -17.093 181 HB2 TYR 26 HB2 TYR 26 -8.668 1.120 -14.585 182 HB3 TYR 26 HB3 TYR 26 -10.136 2.067 -14.807 183 HD1 TYR 26 HD1 TYR 26 -11.882 0.110 -16.168 184 HD2 TYR 26 HD2 TYR 26 -9.209 -0.396 -12.897 185 HE1 TYR 26 HE1 TYR 26 -13.230 -1.784 -15.367 186 HE2 TYR 26 HE2 TYR 26 -10.549 -2.293 -12.088 187 HH TYR 26 HH TYR 26 -12.196 -4.017 -13.263 188 H VAL 27 H VAL 27 -10.027 3.601 -16.696 189 HA VAL 27 HA VAL 27 -7.347 4.445 -17.592 190 HB VAL 27 HB VAL 27 -8.791 4.857 -19.415 191 HG11 VAL 27 HG11 VAL 27 -10.730 5.730 -17.318 192 HG12 VAL 27 HG12 VAL 27 -10.881 6.349 -18.964 193 HG13 VAL 27 HG13 VAL 27 -10.957 4.613 -18.663 194 HG21 VAL 27 HG21 VAL 27 -8.839 7.519 -18.039 195 HG22 VAL 27 HG22 VAL 27 -7.316 6.776 -18.527 196 HG23 VAL 27 HG23 VAL 27 -8.543 7.153 -19.738 197 H CYS 28 H CYS 28 -6.525 6.402 -16.784 198 HA CYS 28 HA CYS 28 -7.616 7.131 -14.172 199 HB2 CYS 28 HB2 CYS 28 -5.230 6.544 -14.311 200 HB3 CYS 28 HB3 CYS 28 -4.974 7.854 -15.458 201 H ASP 29 H ASP 29 -9.007 8.761 -14.118 202 HA ASP 29 HA ASP 29 -8.936 10.826 -16.168 203 HB2 ASP 29 HB2 ASP 29 -10.901 10.077 -14.018 204 HB3 ASP 29 HB3 ASP 29 -11.026 11.616 -14.866 205 H CYS 30 H CYS 30 -8.900 13.076 -15.667 206 HA CYS 30 HA CYS 30 -7.899 13.789 -13.008 207 HB2 CYS 30 HB2 CYS 30 -6.539 14.412 -15.632 208 HB3 CYS 30 HB3 CYS 30 -6.191 15.285 -14.142 209 H PHE 31 H PHE 31 -8.560 15.752 -12.279 210 HA PHE 31 HA PHE 31 -9.783 17.639 -14.135 211 HB2 PHE 31 HB2 PHE 31 -11.234 16.189 -11.947 212 HB3 PHE 31 HB3 PHE 31 -11.715 17.826 -12.381 213 HD1 PHE 31 HD2 PHE 31 -11.797 18.103 -15.107 214 HD2 PHE 31 HD1 PHE 31 -12.510 14.544 -12.883 215 HE1 PHE 31 HE2 PHE 31 -13.146 17.216 -16.964 216 HE2 PHE 31 HE1 PHE 31 -13.859 13.652 -14.736 217 HZ PHE 31 HZ PHE 31 -14.179 14.989 -16.780 218 H TYR 32 H TYR 32 -10.595 19.621 -12.769 219 HA TYR 32 HA TYR 32 -8.853 20.133 -10.483 220 HB2 TYR 32 HB2 TYR 32 -8.975 22.184 -12.670 221 HB3 TYR 32 HB3 TYR 32 -7.789 22.009 -11.381 222 HD1 TYR 32 HD1 TYR 32 -8.879 20.728 -14.656 223 HD2 TYR 32 HD2 TYR 32 -5.895 20.555 -11.628 224 HE1 TYR 32 HE1 TYR 32 -7.395 19.513 -16.196 225 HE2 TYR 32 HE2 TYR 32 -4.402 19.341 -13.160 226 HH TYR 32 HH TYR 32 -5.497 18.276 -16.331 227 HA PRO 33 HA PRO 33 -12.330 22.296 -8.902 228 HB2 PRO 33 HB2 PRO 33 -11.118 24.155 -7.338 229 HB3 PRO 33 HB3 PRO 33 -11.184 22.440 -6.917 230 HG2 PRO 33 HG2 PRO 33 -8.954 24.000 -8.166 231 HG3 PRO 33 HG3 PRO 33 -8.882 22.779 -6.882 232 HD2 PRO 33 HD2 PRO 33 -8.271 22.220 -9.460 233 HD3 PRO 33 HD3 PRO 33 -9.003 21.024 -8.372 234 H GLU 34 H GLU 34 -12.634 23.112 -11.216 235 HA GLU 34 HA GLU 34 -13.140 24.798 -12.660 236 HB2 GLU 34 HB2 GLU 34 -13.202 26.339 -10.064 237 HB3 GLU 34 HB3 GLU 34 -13.728 27.003 -11.604 238 HG2 GLU 34 HG2 GLU 34 -15.488 25.393 -11.772 239 HG3 GLU 34 HG3 GLU 34 -14.898 24.531 -10.353 240 H GLY 35 H GLY 35 -10.292 24.260 -11.895 241 HA2 GLY 35 HA2 GLY 35 -9.044 26.149 -13.524 242 HA3 GLY 35 HA3 GLY 35 -8.848 26.691 -11.863 243 H GLU 36 H GLU 36 -7.250 25.200 -14.212 244 HA GLU 36 HA GLU 36 -6.162 22.945 -12.804 245 HB2 GLU 36 HB2 GLU 36 -4.785 22.607 -14.710 246 HB3 GLU 36 HB3 GLU 36 -6.345 23.146 -15.317 247 HG2 GLU 36 HG2 GLU 36 -5.151 25.511 -15.163 248 HG3 GLU 36 HG3 GLU 36 -3.717 24.505 -15.356 249 H ASP 37 H ASP 37 -5.724 26.226 -12.525 250 HA ASP 37 HA ASP 37 -2.890 26.085 -11.850 251 HB2 ASP 37 HB2 ASP 37 -4.127 28.026 -13.116 252 HB3 ASP 37 HB3 ASP 37 -4.554 28.550 -11.489 253 H LYS 38 H LYS 38 -5.323 24.953 -10.296 254 HA LYS 38 HA LYS 38 -4.642 26.165 -7.697 255 HB2 LYS 38 HB2 LYS 38 -7.183 24.800 -8.595 256 HB3 LYS 38 HB3 LYS 38 -6.852 25.259 -6.929 257 HG2 LYS 38 HG2 LYS 38 -6.631 27.616 -7.686 258 HG3 LYS 38 HG3 LYS 38 -7.139 27.097 -9.294 259 HD2 LYS 38 HD2 LYS 38 -9.290 27.032 -8.694 260 HD3 LYS 38 HD3 LYS 38 -8.928 26.142 -7.213 261 HE2 LYS 38 HE2 LYS 38 -8.558 28.102 -5.990 262 HE3 LYS 38 HE3 LYS 38 -8.367 29.080 -7.444 263 HZ1 LYS 38 HZ1 LYS 38 -10.506 29.573 -7.335 264 HZ2 LYS 38 HZ2 LYS 38 -10.698 28.602 -5.964 265 HZ3 LYS 38 HZ3 LYS 38 -10.914 27.941 -7.506 266 H THR 39 H THR 39 -6.167 23.093 -8.630 267 HA THR 39 HA THR 39 -3.912 21.584 -7.596 268 HB THR 39 HB THR 39 -6.638 21.114 -6.390 269 HG1 THR 39 HG1 THR 39 -5.419 22.035 -4.470 270 HG21 THR 39 HG21 THR 39 -4.121 19.709 -6.365 271 HG22 THR 39 HG22 THR 39 -5.683 19.218 -5.707 272 HG23 THR 39 HG23 THR 39 -4.581 20.189 -4.731 273 H GLU 40 H GLU 40 -3.756 19.557 -8.459 274 HA GLU 40 HA GLU 40 -5.731 18.892 -10.519 275 HB2 GLU 40 HB2 GLU 40 -3.947 17.292 -11.304 276 HB3 GLU 40 HB3 GLU 40 -3.524 18.996 -11.399 277 HG2 GLU 40 HG2 GLU 40 -2.743 17.827 -8.869 278 HG3 GLU 40 HG3 GLU 40 -2.030 16.983 -10.241 279 H VAL 41 H VAL 41 -7.261 17.502 -9.961 280 HA VAL 41 HA VAL 41 -6.611 15.384 -8.018 281 HB VAL 41 HB VAL 41 -9.376 16.382 -8.698 282 HG11 VAL 41 HG11 VAL 41 -10.092 15.181 -6.780 283 HG12 VAL 41 HG12 VAL 41 -9.073 14.083 -7.713 284 HG13 VAL 41 HG13 VAL 41 -8.433 14.872 -6.270 285 HG21 VAL 41 HG21 VAL 41 -8.449 18.274 -7.733 286 HG22 VAL 41 HG22 VAL 41 -9.134 17.436 -6.341 287 HG23 VAL 41 HG23 VAL 41 -7.403 17.342 -6.662 288 H CYS 42 H CYS 42 -6.348 13.449 -8.893 289 HA CYS 42 HA CYS 42 -7.912 12.765 -11.297 290 HB2 CYS 42 HB2 CYS 42 -5.211 11.673 -10.481 291 HB3 CYS 42 HB3 CYS 42 -6.091 11.278 -11.953 292 H SER 43 H SER 43 -8.731 10.644 -11.474 293 HA SER 43 HA SER 43 -8.533 8.875 -9.179 294 HB2 SER 43 HB2 SER 43 -11.197 8.759 -9.371 295 HB3 SER 43 HB3 SER 43 -10.387 9.889 -8.287 296 HG SER 43 HG SER 43 -12.014 10.863 -9.631 297 H CYS 44 H CYS 44 -9.315 6.746 -9.594 298 HA CYS 44 HA CYS 44 -8.890 5.890 -12.269 299 HB2 CYS 44 HB2 CYS 44 -8.583 4.649 -9.947 300 HB3 CYS 44 HB3 CYS 44 -10.226 4.109 -10.279 301 H GLN 45 H GLN 45 -10.282 5.627 -13.890 302 HA GLN 45 HA GLN 45 -13.136 5.337 -13.308 303 HB2 GLN 45 HB2 GLN 45 -11.962 7.386 -15.194 304 HB3 GLN 45 HB3 GLN 45 -13.671 6.975 -15.112 305 HG2 GLN 45 HG2 GLN 45 -12.372 7.764 -12.580 306 HG3 GLN 45 HG3 GLN 45 -12.593 9.025 -13.792 307 HE21 GLN 45 HE21 GLN 45 -13.880 9.430 -11.544 308 HE22 GLN 45 HE22 GLN 45 -15.571 9.104 -11.691 309 H GLN 46 H GLN 46 -14.355 4.876 -15.434 310 HA GLN 46 HA GLN 46 -12.855 2.791 -16.827 311 HB2 GLN 46 HB2 GLN 46 -15.742 3.331 -16.318 312 HB3 GLN 46 HB3 GLN 46 -15.316 2.417 -17.758 313 HG2 GLN 46 HG2 GLN 46 -15.254 0.599 -16.504 314 HG3 GLN 46 HG3 GLN 46 -13.833 1.264 -15.700 315 HE21 GLN 46 HE21 GLN 46 -15.813 -0.464 -14.570 316 HE22 GLN 46 HE22 GLN 46 -16.548 0.391 -13.260 317 HA PRO 47 HA PRO 47 -12.452 5.084 -20.554 318 HB2 PRO 47 HB2 PRO 47 -12.366 3.045 -22.345 319 HB3 PRO 47 HB3 PRO 47 -11.027 3.423 -21.255 320 HG2 PRO 47 HG2 PRO 47 -13.142 1.321 -21.000 321 HG3 PRO 47 HG3 PRO 47 -11.402 1.201 -20.681 322 HD2 PRO 47 HD2 PRO 47 -13.226 1.510 -18.704 323 HD3 PRO 47 HD3 PRO 47 -11.585 2.182 -18.604 324 H LYS 48 H LYS 48 -13.482 5.448 -22.666 325 HA LYS 48 HA LYS 48 -16.226 5.776 -22.506 326 HB2 LYS 48 HB2 LYS 48 -14.254 6.477 -24.302 327 HB3 LYS 48 HB3 LYS 48 -15.269 5.395 -25.246 328 HG2 LYS 48 HG2 LYS 48 -17.161 6.765 -24.977 329 HG3 LYS 48 HG3 LYS 48 -16.399 7.698 -23.686 330 HD2 LYS 48 HD2 LYS 48 -15.702 9.161 -25.208 331 HD3 LYS 48 HD3 LYS 48 -14.705 7.894 -25.927 332 HE2 LYS 48 HE2 LYS 48 -17.091 7.248 -26.978 333 HE3 LYS 48 HE3 LYS 48 -17.314 8.986 -26.788 334 HZ1 LYS 48 HZ1 LYS 48 -14.906 8.938 -27.890 335 HZ2 LYS 48 HZ2 LYS 48 -16.329 9.007 -28.799 336 HZ3 LYS 48 HZ3 LYS 48 -15.541 7.528 -28.573 337 H SER 49 H SER 49 -14.368 3.083 -23.798 338 HA SER 49 HA SER 49 -16.476 1.718 -25.061 339 HB2 SER 49 HB2 SER 49 -14.306 0.133 -23.777 340 HB3 SER 49 HB3 SER 49 -14.964 0.028 -25.410 341 HG SER 49 HG SER 49 -13.804 1.883 -25.951 342 H HIS 50 H HIS 50 -15.082 1.301 -21.811 343 HA HIS 50 HA HIS 50 -16.808 -0.721 -20.946 344 HB2 HIS 50 HB2 HIS 50 -14.861 1.073 -19.743 345 HB3 HIS 50 HB3 HIS 50 -16.217 0.761 -18.665 346 HD1 HIS 50 HD1 HIS 50 -16.623 -1.768 -18.002 347 HD2 HIS 50 HD2 HIS 50 -13.078 -1.005 -20.031 348 HE1 HIS 50 HE1 HIS 50 -15.196 -3.809 -17.653 349 H LYS 51 H LYS 51 -17.120 2.793 -20.824 350 HA LYS 51 HA LYS 51 -19.438 2.917 -19.241 351 HB2 LYS 51 HB2 LYS 51 -18.417 4.974 -19.461 352 HB3 LYS 51 HB3 LYS 51 -18.097 4.751 -21.176 353 HG2 LYS 51 HG2 LYS 51 -20.933 4.948 -20.376 354 HG3 LYS 51 HG3 LYS 51 -19.960 6.415 -20.240 355 HD2 LYS 51 HD2 LYS 51 -19.347 5.197 -22.727 356 HD3 LYS 51 HD3 LYS 51 -21.105 5.243 -22.570 357 HE2 LYS 51 HE2 LYS 51 -20.287 7.266 -23.642 358 HE3 LYS 51 HE3 LYS 51 -20.991 7.639 -22.069 359 HZ1 LYS 51 HZ1 LYS 51 -18.156 7.100 -22.011 360 HZ2 LYS 51 HZ2 LYS 51 -19.037 8.344 -21.278 361 HZ3 LYS 51 HZ3 LYS 51 -18.579 8.477 -22.901 362 H ILE 52 H ILE 52 -19.048 2.873 -22.776 363 HA ILE 52 HA ILE 52 -21.784 3.004 -23.407 364 HB ILE 52 HB ILE 52 -19.480 1.829 -24.963 365 HG12 ILE 52 HG12 ILE 52 -19.399 4.269 -24.493 366 HG13 ILE 52 HG13 ILE 52 -19.550 3.908 -26.209 367 HG21 ILE 52 HG21 ILE 52 -22.375 1.965 -25.557 368 HG22 ILE 52 HG22 ILE 52 -21.267 2.372 -26.866 369 HG23 ILE 52 HG23 ILE 52 -21.162 0.796 -26.080 370 HD11 ILE 52 HD11 ILE 52 -21.111 5.647 -24.730 371 HD12 ILE 52 HD12 ILE 52 -21.439 5.056 -26.358 372 HD13 ILE 52 HD13 ILE 52 -22.134 4.231 -24.964 373 H ALA 53 H ALA 53 -19.630 0.156 -23.473 374 HA ALA 53 HA ALA 53 -21.546 -1.780 -23.936 375 HB1 ALA 53 HB1 ALA 53 -18.973 -1.936 -22.380 376 HB2 ALA 53 HB2 ALA 53 -19.954 -3.346 -22.781 377 HB3 ALA 53 HB3 ALA 53 -19.248 -2.368 -24.068 378 H GLU 54 H GLU 54 -20.641 -0.231 -20.911 379 HA GLU 54 HA GLU 54 -22.038 -1.973 -19.181 380 HB2 GLU 54 HB2 GLU 54 -20.902 0.775 -18.968 381 HB3 GLU 54 HB3 GLU 54 -22.043 0.256 -17.736 382 HG2 GLU 54 HG2 GLU 54 -19.666 -1.414 -18.460 383 HG3 GLU 54 HG3 GLU 54 -19.547 -0.090 -17.303 384 H LYS 55 H LYS 55 -22.930 1.201 -20.528 385 HA LYS 55 HA LYS 55 -25.506 1.309 -19.422 386 HB2 LYS 55 HB2 LYS 55 -25.710 3.263 -20.552 387 HB3 LYS 55 HB3 LYS 55 -23.985 3.048 -20.815 388 HG2 LYS 55 HG2 LYS 55 -24.626 1.843 -22.963 389 HG3 LYS 55 HG3 LYS 55 -26.243 2.503 -22.712 390 HD2 LYS 55 HD2 LYS 55 -23.975 4.398 -22.519 391 HD3 LYS 55 HD3 LYS 55 -24.358 3.771 -24.125 392 HE2 LYS 55 HE2 LYS 55 -26.741 4.449 -23.708 393 HE3 LYS 55 HE3 LYS 55 -26.184 5.260 -22.246 394 HZ1 LYS 55 HZ1 LYS 55 -26.295 6.858 -23.983 395 HZ2 LYS 55 HZ2 LYS 55 -25.411 5.880 -25.042 396 HZ3 LYS 55 HZ3 LYS 55 -24.656 6.560 -23.689 397 H ILE 56 H ILE 56 -24.264 -0.266 -22.278 398 HA ILE 56 HA ILE 56 -26.777 -0.751 -23.522 399 HB ILE 56 HB ILE 56 -24.142 -2.190 -23.849 400 HG12 ILE 56 HG12 ILE 56 -25.346 -0.293 -25.832 401 HG13 ILE 56 HG13 ILE 56 -24.474 0.345 -24.443 402 HG21 ILE 56 HG21 ILE 56 -25.376 -3.731 -24.903 403 HG22 ILE 56 HG22 ILE 56 -26.795 -2.686 -24.961 404 HG23 ILE 56 HG23 ILE 56 -25.532 -2.525 -26.182 405 HD11 ILE 56 HD11 ILE 56 -22.457 -0.450 -25.176 406 HD12 ILE 56 HD12 ILE 56 -23.187 -1.745 -26.126 407 HD13 ILE 56 HD13 ILE 56 -23.254 -0.079 -26.704 408 H ILE 57 H ILE 57 -24.560 -2.994 -21.848 409 HA ILE 57 HA ILE 57 -26.287 -5.169 -21.735 410 HB ILE 57 HB ILE 57 -24.143 -4.405 -19.748 411 HG12 ILE 57 HG12 ILE 57 -23.357 -4.632 -22.086 412 HG13 ILE 57 HG13 ILE 57 -22.698 -5.881 -21.036 413 HG21 ILE 57 HG21 ILE 57 -25.707 -6.934 -20.156 414 HG22 ILE 57 HG22 ILE 57 -24.121 -6.933 -19.386 415 HG23 ILE 57 HG23 ILE 57 -25.450 -6.021 -18.669 416 HD11 ILE 57 HD11 ILE 57 -25.014 -6.220 -22.927 417 HD12 ILE 57 HD12 ILE 57 -23.362 -6.775 -23.199 418 HD13 ILE 57 HD13 ILE 57 -24.323 -7.472 -21.894 419 H ASP 58 H ASP 58 -25.868 -2.498 -19.450 420 HA ASP 58 HA ASP 58 -27.619 -3.477 -17.467 421 HB2 ASP 58 HB2 ASP 58 -26.457 -0.804 -18.131 422 HB3 ASP 58 HB3 ASP 58 -27.777 -0.889 -16.968 423 H LYS 59 H LYS 59 -28.147 -1.057 -20.029 424 HA LYS 59 HA LYS 59 -30.872 -0.638 -19.520 425 HB2 LYS 59 HB2 LYS 59 -29.416 0.812 -20.941 426 HB3 LYS 59 HB3 LYS 59 -29.467 -0.425 -22.189 427 HG2 LYS 59 HG2 LYS 59 -31.831 -0.134 -22.465 428 HG3 LYS 59 HG3 LYS 59 -31.897 0.970 -21.088 429 HD2 LYS 59 HD2 LYS 59 -31.839 2.478 -22.811 430 HD3 LYS 59 HD3 LYS 59 -30.111 2.297 -22.503 431 HE2 LYS 59 HE2 LYS 59 -29.898 0.740 -24.324 432 HE3 LYS 59 HE3 LYS 59 -31.644 0.723 -24.568 433 HZ1 LYS 59 HZ1 LYS 59 -30.201 3.275 -24.749 434 HZ2 LYS 59 HZ2 LYS 59 -31.625 2.790 -25.521 435 HZ3 LYS 59 HZ3 LYS 59 -30.133 2.199 -26.054 436 H ALA 60 H ALA 60 -29.206 -3.162 -21.233 437 HA ALA 60 HA ALA 60 -31.466 -4.148 -22.670 438 HB1 ALA 60 HB1 ALA 60 -29.203 -4.614 -23.423 439 HB2 ALA 60 HB2 ALA 60 -28.878 -5.517 -21.943 440 HB3 ALA 60 HB3 ALA 60 -30.068 -6.117 -23.098 441 H LYS 61 H LYS 61 -29.772 -5.283 -19.745 442 HA LYS 61 HA LYS 61 -31.635 -7.346 -19.183 443 HB2 LYS 61 HB2 LYS 61 -30.510 -7.516 -17.026 444 HB3 LYS 61 HB3 LYS 61 -29.334 -7.372 -18.325 445 HG2 LYS 61 HG2 LYS 61 -29.100 -4.972 -17.804 446 HG3 LYS 61 HG3 LYS 61 -30.206 -5.188 -16.445 447 HD2 LYS 61 HD2 LYS 61 -27.704 -6.827 -16.731 448 HD3 LYS 61 HD3 LYS 61 -27.696 -5.243 -15.951 449 HE2 LYS 61 HE2 LYS 61 -28.340 -6.221 -14.064 450 HE3 LYS 61 HE3 LYS 61 -29.860 -6.651 -14.846 451 HZ1 LYS 61 HZ1 LYS 61 -28.322 -8.474 -13.820 452 HZ2 LYS 61 HZ2 LYS 61 -27.513 -8.350 -15.301 453 HZ3 LYS 61 HZ3 LYS 61 -29.153 -8.766 -15.266 454 H THR 62 H THR 62 -31.565 -3.954 -18.529 455 HA THR 62 HA THR 62 -33.474 -4.019 -16.383 456 HB THR 62 HB THR 62 -32.534 -1.703 -18.086 457 HG1 THR 62 HG1 THR 62 -31.833 -2.269 -15.396 458 HG21 THR 62 HG21 THR 62 -33.423 -0.315 -16.214 459 HG22 THR 62 HG22 THR 62 -34.168 -1.769 -15.548 460 HG23 THR 62 HG23 THR 62 -34.673 -1.162 -17.125 461 H THR 63 H THR 63 -33.574 -3.638 -19.862 462 HA THR 63 HA THR 63 -36.394 -2.937 -19.846 463 HB THR 63 HB THR 63 -34.638 -3.528 -22.235 464 HG1 THR 63 HG1 THR 63 -33.795 -1.624 -21.909 465 HG21 THR 63 HG21 THR 63 -37.423 -2.643 -21.857 466 HG22 THR 63 HG22 THR 63 -36.672 -3.477 -23.217 467 HG23 THR 63 HG23 THR 63 -36.495 -1.731 -23.046 468 H LEU 64 H LEU 64 -34.336 -5.688 -20.612 469 HA LEU 64 HA LEU 64 -36.722 -7.288 -21.230 470 HB2 LEU 64 HB2 LEU 64 -33.803 -7.795 -21.774 471 HB3 LEU 64 HB3 LEU 64 -35.092 -8.945 -22.120 472 HG LEU 64 HG LEU 64 -35.050 -6.199 -23.342 473 HD11 LEU 64 HD11 LEU 64 -32.931 -7.257 -23.901 474 HD12 LEU 64 HD12 LEU 64 -33.990 -7.192 -25.309 475 HD13 LEU 64 HD13 LEU 64 -33.781 -8.708 -24.434 476 HD21 LEU 64 HD21 LEU 64 -36.977 -8.125 -23.290 477 HD22 LEU 64 HD22 LEU 64 -36.130 -8.506 -24.790 478 HD23 LEU 64 HD23 LEU 64 -36.809 -6.896 -24.544 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -9.495 -6.814 -1.072 2 HA ALA 1 HA ALA 1 -7.123 -6.200 0.400 3 HB1 ALA 1 HB1 ALA 1 -7.316 -8.326 1.001 4 HB2 ALA 1 HB2 ALA 1 -8.682 -8.494 -0.104 5 HB3 ALA 1 HB3 ALA 1 -7.047 -8.851 -0.661 6 H LYS 2 H LYS 2 -7.401 -5.090 -2.350 7 HA LYS 2 HA LYS 2 -5.036 -6.315 -3.604 8 HB2 LYS 2 HB2 LYS 2 -7.261 -4.655 -4.795 9 HB3 LYS 2 HB3 LYS 2 -5.810 -5.117 -5.675 10 HG2 LYS 2 HG2 LYS 2 -6.810 -7.492 -4.601 11 HG3 LYS 2 HG3 LYS 2 -8.217 -6.611 -5.201 12 HD2 LYS 2 HD2 LYS 2 -7.385 -6.542 -7.387 13 HD3 LYS 2 HD3 LYS 2 -5.739 -6.912 -6.868 14 HE2 LYS 2 HE2 LYS 2 -6.211 -9.164 -6.556 15 HE3 LYS 2 HE3 LYS 2 -7.946 -8.884 -6.420 16 HZ1 LYS 2 HZ1 LYS 2 -8.198 -8.762 -8.675 17 HZ2 LYS 2 HZ2 LYS 2 -6.938 -9.887 -8.582 18 HZ3 LYS 2 HZ3 LYS 2 -6.603 -8.271 -8.957 19 H ALA 3 H ALA 3 -3.199 -5.190 -3.708 20 HA ALA 3 HA ALA 3 -3.140 -2.500 -2.619 21 HB1 ALA 3 HB1 ALA 3 -0.809 -2.759 -2.429 22 HB2 ALA 3 HB2 ALA 3 -1.491 -4.334 -2.020 23 HB3 ALA 3 HB3 ALA 3 -0.776 -4.067 -3.611 24 H CYS 4 H CYS 4 -4.481 -2.607 -5.055 25 HA CYS 4 HA CYS 4 -2.594 -1.214 -6.841 26 HB2 CYS 4 HB2 CYS 4 -3.913 -1.990 -8.744 27 HB3 CYS 4 HB3 CYS 4 -3.343 -3.359 -7.795 28 H THR 5 H THR 5 -4.198 -0.023 -8.594 29 HA THR 5 HA THR 5 -5.840 1.763 -6.925 30 HB THR 5 HB THR 5 -4.631 2.416 -9.615 31 HG1 THR 5 HG1 THR 5 -3.208 3.728 -8.136 32 HG21 THR 5 HG21 THR 5 -5.856 4.134 -7.455 33 HG22 THR 5 HG22 THR 5 -6.545 3.794 -9.042 34 HG23 THR 5 HG23 THR 5 -5.066 4.744 -8.908 35 HA PRO 6 HA PRO 6 -8.903 -0.405 -9.596 36 HB2 PRO 6 HB2 PRO 6 -10.851 -0.429 -7.705 37 HB3 PRO 6 HB3 PRO 6 -9.592 -1.666 -7.803 38 HG2 PRO 6 HG2 PRO 6 -9.759 0.730 -6.014 39 HG3 PRO 6 HG3 PRO 6 -9.266 -0.927 -5.621 40 HD2 PRO 6 HD2 PRO 6 -7.478 1.062 -6.043 41 HD3 PRO 6 HD3 PRO 6 -7.140 -0.629 -6.463 42 H LEU 7 H LEU 7 -11.446 0.267 -9.585 43 HA LEU 7 HA LEU 7 -11.510 2.875 -10.663 44 HB2 LEU 7 HB2 LEU 7 -13.030 0.827 -11.111 45 HB3 LEU 7 HB3 LEU 7 -13.961 1.425 -9.740 46 HG LEU 7 HG LEU 7 -14.098 3.632 -11.040 47 HD11 LEU 7 HD11 LEU 7 -12.995 1.780 -13.115 48 HD12 LEU 7 HD12 LEU 7 -12.540 3.443 -12.746 49 HD13 LEU 7 HD13 LEU 7 -14.065 3.108 -13.567 50 HD21 LEU 7 HD21 LEU 7 -15.975 2.734 -12.442 51 HD22 LEU 7 HD22 LEU 7 -16.043 2.294 -10.735 52 HD23 LEU 7 HD23 LEU 7 -15.496 1.116 -11.929 53 H LEU 8 H LEU 8 -12.303 4.791 -9.878 54 HA LEU 8 HA LEU 8 -12.897 6.384 -8.367 55 HB2 LEU 8 HB2 LEU 8 -13.909 4.232 -6.544 56 HB3 LEU 8 HB3 LEU 8 -14.480 5.890 -6.717 57 HG LEU 8 HG LEU 8 -14.823 3.783 -8.845 58 HD11 LEU 8 HD11 LEU 8 -16.375 4.340 -6.397 59 HD12 LEU 8 HD12 LEU 8 -16.216 2.852 -7.330 60 HD13 LEU 8 HD13 LEU 8 -17.299 4.129 -7.885 61 HD21 LEU 8 HD21 LEU 8 -16.345 5.300 -9.840 62 HD22 LEU 8 HD22 LEU 8 -14.893 6.227 -9.463 63 HD23 LEU 8 HD23 LEU 8 -16.318 6.363 -8.432 64 H HIS 9 H HIS 9 -10.310 5.741 -8.300 65 HA HIS 9 HA HIS 9 -9.652 6.070 -5.476 66 HB2 HIS 9 HB2 HIS 9 -8.817 3.787 -7.183 67 HB3 HIS 9 HB3 HIS 9 -7.591 4.483 -6.129 68 HD1 HIS 9 HD1 HIS 9 -7.535 3.559 -3.835 69 HD2 HIS 9 HD2 HIS 9 -11.247 3.030 -5.628 70 HE1 HIS 9 HE1 HIS 9 -8.888 2.212 -2.197 71 H ASP 10 H ASP 10 -7.344 6.753 -5.192 72 HA ASP 10 HA ASP 10 -6.780 8.944 -6.890 73 HB2 ASP 10 HB2 ASP 10 -5.857 7.949 -4.383 74 HB3 ASP 10 HB3 ASP 10 -4.451 8.241 -5.404 75 H CYS 11 H CYS 11 -5.953 8.850 -8.861 76 HA CYS 11 HA CYS 11 -3.972 6.749 -9.458 77 HB2 CYS 11 HB2 CYS 11 -4.802 6.572 -11.670 78 HB3 CYS 11 HB3 CYS 11 -6.224 6.576 -10.633 79 H SER 12 H SER 12 -4.080 9.832 -8.700 80 HA SER 12 HA SER 12 -2.970 11.354 -10.707 81 HB2 SER 12 HB2 SER 12 -2.816 12.892 -9.077 82 HB3 SER 12 HB3 SER 12 -3.403 11.656 -7.965 83 HG SER 12 HG SER 12 -1.290 11.138 -7.461 84 H HIS 13 H HIS 13 -1.279 9.258 -8.394 85 HA HIS 13 HA HIS 13 1.220 9.653 -9.861 86 HB2 HIS 13 HB2 HIS 13 0.538 8.525 -7.163 87 HB3 HIS 13 HB3 HIS 13 2.088 8.155 -7.913 88 HD1 HIS 13 HD1 HIS 13 2.107 9.710 -5.325 89 HD2 HIS 13 HD2 HIS 13 1.945 11.528 -9.057 90 HE1 HIS 13 HE1 HIS 13 2.984 12.041 -4.976 91 H ASP 14 H ASP 14 -1.181 8.001 -10.724 92 HA ASP 14 HA ASP 14 0.371 5.712 -11.616 93 HB2 ASP 14 HB2 ASP 14 -1.973 5.527 -9.777 94 HB3 ASP 14 HB3 ASP 14 -1.797 4.301 -11.030 95 H ARG 15 H ARG 15 0.216 6.205 -13.734 96 HA ARG 15 HA ARG 15 -2.214 7.167 -14.919 97 HB2 ARG 15 HB2 ARG 15 0.250 6.136 -16.329 98 HB3 ARG 15 HB3 ARG 15 -0.993 7.188 -16.993 99 HG2 ARG 15 HG2 ARG 15 -0.306 9.002 -15.617 100 HG3 ARG 15 HG3 ARG 15 0.771 7.961 -14.685 101 HD2 ARG 15 HD2 ARG 15 1.098 8.393 -17.643 102 HD3 ARG 15 HD3 ARG 15 1.844 9.451 -16.446 103 HE ARG 15 HE ARG 15 2.524 6.830 -15.795 104 HH11 ARG 15 HH11 ARG 15 3.070 9.118 -18.362 105 HH12 ARG 15 HH12 ARG 15 4.615 8.463 -18.793 106 HH21 ARG 15 HH21 ARG 15 4.556 5.959 -16.355 107 HH22 ARG 15 HH22 ARG 15 5.459 6.665 -17.652 108 H HIS 16 H HIS 16 -0.250 4.331 -15.813 109 HA HIS 16 HA HIS 16 -2.745 2.928 -16.486 110 HB2 HIS 16 HB2 HIS 16 0.011 2.877 -17.614 111 HB3 HIS 16 HB3 HIS 16 -0.915 1.381 -17.656 112 HD1 HIS 16 HD1 HIS 16 -2.532 1.130 -19.534 113 HD2 HIS 16 HD2 HIS 16 -1.349 5.076 -18.995 114 HE1 HIS 16 HE1 HIS 16 -3.531 2.402 -21.460 115 H SER 17 H SER 17 -1.503 3.175 -13.799 116 HA SER 17 HA SER 17 -0.580 0.470 -13.241 117 HB2 SER 17 HB2 SER 17 -1.053 2.464 -11.070 118 HB3 SER 17 HB3 SER 17 0.238 1.274 -11.241 119 HG SER 17 HG SER 17 1.394 2.696 -12.272 120 H CYS 18 H CYS 18 -3.493 2.145 -13.366 121 HA CYS 18 HA CYS 18 -4.977 1.230 -11.229 122 HB2 CYS 18 HB2 CYS 18 -5.628 1.976 -14.041 123 HB3 CYS 18 HB3 CYS 18 -6.875 1.169 -13.095 124 H CYS 19 H CYS 19 -6.516 -0.515 -11.046 125 HA CYS 19 HA CYS 19 -5.387 -3.031 -11.707 126 HB2 CYS 19 HB2 CYS 19 -8.222 -2.561 -10.783 127 HB3 CYS 19 HB3 CYS 19 -7.229 -3.994 -10.539 128 H ARG 20 H ARG 20 -6.238 -4.686 -13.037 129 HA ARG 20 HA ARG 20 -7.340 -3.702 -15.510 130 HB2 ARG 20 HB2 ARG 20 -5.564 -5.403 -15.499 131 HB3 ARG 20 HB3 ARG 20 -6.637 -6.518 -14.663 132 HG2 ARG 20 HG2 ARG 20 -7.737 -7.069 -16.540 133 HG3 ARG 20 HG3 ARG 20 -7.697 -5.422 -17.171 134 HD2 ARG 20 HD2 ARG 20 -5.182 -5.865 -17.536 135 HD3 ARG 20 HD3 ARG 20 -5.611 -7.566 -17.353 136 HE ARG 20 HE ARG 20 -7.218 -6.148 -19.276 137 HH11 ARG 20 HH11 ARG 20 -4.294 -7.963 -18.748 138 HH12 ARG 20 HH12 ARG 20 -4.141 -8.448 -20.404 139 HH21 ARG 20 HH21 ARG 20 -7.028 -6.780 -21.459 140 HH22 ARG 20 HH22 ARG 20 -5.697 -7.774 -21.946 141 H GLY 21 H GLY 21 -9.262 -4.463 -16.514 142 HA2 GLY 21 HA2 GLY 21 -11.349 -5.131 -14.559 143 HA3 GLY 21 HA3 GLY 21 -11.616 -4.412 -16.141 144 H ASP 22 H ASP 22 -13.299 -6.209 -16.021 145 HA ASP 22 HA ASP 22 -12.409 -8.901 -16.371 146 HB2 ASP 22 HB2 ASP 22 -14.755 -7.884 -15.614 147 HB3 ASP 22 HB3 ASP 22 -15.099 -8.056 -17.332 148 H MET 23 H MET 23 -13.275 -6.258 -18.514 149 HA MET 23 HA MET 23 -12.783 -7.981 -20.841 150 HB2 MET 23 HB2 MET 23 -14.007 -5.219 -20.744 151 HB3 MET 23 HB3 MET 23 -13.878 -6.246 -22.165 152 HG2 MET 23 HG2 MET 23 -15.670 -7.460 -21.607 153 HG3 MET 23 HG3 MET 23 -15.241 -7.492 -19.898 154 HE1 MET 23 HE1 MET 23 -18.412 -6.105 -18.937 155 HE2 MET 23 HE2 MET 23 -17.168 -7.353 -18.885 156 HE3 MET 23 HE3 MET 23 -16.903 -5.810 -18.073 157 H PHE 24 H PHE 24 -11.999 -4.733 -19.608 158 HA PHE 24 HA PHE 24 -9.325 -4.990 -20.737 159 HB2 PHE 24 HB2 PHE 24 -10.958 -2.512 -21.281 160 HB3 PHE 24 HB3 PHE 24 -9.389 -2.941 -21.953 161 HD1 PHE 24 HD1 PHE 24 -12.995 -3.573 -22.086 162 HD2 PHE 24 HD2 PHE 24 -9.200 -4.469 -23.794 163 HE1 PHE 24 HE1 PHE 24 -14.113 -4.595 -24.025 164 HE2 PHE 24 HE2 PHE 24 -10.312 -5.490 -25.737 165 HZ PHE 24 HZ PHE 24 -12.771 -5.556 -25.854 166 H LYS 25 H LYS 25 -7.993 -2.969 -20.103 167 HA LYS 25 HA LYS 25 -8.183 -2.714 -17.253 168 HB2 LYS 25 HB2 LYS 25 -6.089 -2.723 -18.909 169 HB3 LYS 25 HB3 LYS 25 -6.336 -0.984 -18.821 170 HG2 LYS 25 HG2 LYS 25 -6.458 -1.755 -16.187 171 HG3 LYS 25 HG3 LYS 25 -5.217 -2.814 -16.860 172 HD2 LYS 25 HD2 LYS 25 -5.138 0.087 -17.531 173 HD3 LYS 25 HD3 LYS 25 -4.616 -0.424 -15.924 174 HE2 LYS 25 HE2 LYS 25 -2.687 -0.368 -17.324 175 HE3 LYS 25 HE3 LYS 25 -3.085 -2.061 -17.037 176 HZ1 LYS 25 HZ1 LYS 25 -4.117 -2.173 -19.198 177 HZ2 LYS 25 HZ2 LYS 25 -2.529 -1.614 -19.362 178 HZ3 LYS 25 HZ3 LYS 25 -3.823 -0.530 -19.473 179 H TYR 26 H TYR 26 -8.175 -0.645 -16.119 180 HA TYR 26 HA TYR 26 -10.206 1.115 -17.196 181 HB2 TYR 26 HB2 TYR 26 -8.772 1.121 -14.533 182 HB3 TYR 26 HB3 TYR 26 -10.098 2.197 -14.963 183 HD1 TYR 26 HD1 TYR 26 -11.990 0.445 -16.301 184 HD2 TYR 26 HD2 TYR 26 -9.561 -0.309 -12.889 185 HE1 TYR 26 HE1 TYR 26 -13.610 -1.235 -15.526 186 HE2 TYR 26 HE2 TYR 26 -11.174 -1.992 -12.106 187 HH TYR 26 HH TYR 26 -14.194 -2.215 -13.032 188 H VAL 27 H VAL 27 -9.912 3.521 -16.882 189 HA VAL 27 HA VAL 27 -7.195 4.301 -17.724 190 HB VAL 27 HB VAL 27 -8.595 4.656 -19.592 191 HG11 VAL 27 HG11 VAL 27 -10.655 6.282 -19.128 192 HG12 VAL 27 HG12 VAL 27 -10.788 4.526 -19.018 193 HG13 VAL 27 HG13 VAL 27 -10.577 5.489 -17.555 194 HG21 VAL 27 HG21 VAL 27 -8.368 6.960 -19.985 195 HG22 VAL 27 HG22 VAL 27 -8.594 7.361 -18.283 196 HG23 VAL 27 HG23 VAL 27 -7.107 6.577 -18.814 197 H CYS 28 H CYS 28 -6.364 6.276 -16.974 198 HA CYS 28 HA CYS 28 -7.540 7.152 -14.440 199 HB2 CYS 28 HB2 CYS 28 -5.232 6.505 -14.266 200 HB3 CYS 28 HB3 CYS 28 -4.790 7.522 -15.633 201 H ASP 29 H ASP 29 -8.689 8.954 -14.366 202 HA ASP 29 HA ASP 29 -8.402 10.912 -16.533 203 HB2 ASP 29 HB2 ASP 29 -10.632 10.156 -14.692 204 HB3 ASP 29 HB3 ASP 29 -10.591 11.792 -15.344 205 H CYS 30 H CYS 30 -8.416 13.185 -16.028 206 HA CYS 30 HA CYS 30 -7.580 13.857 -13.296 207 HB2 CYS 30 HB2 CYS 30 -6.091 14.458 -15.845 208 HB3 CYS 30 HB3 CYS 30 -5.874 15.440 -14.399 209 H PHE 31 H PHE 31 -8.374 15.742 -12.539 210 HA PHE 31 HA PHE 31 -9.469 17.706 -14.397 211 HB2 PHE 31 HB2 PHE 31 -11.089 16.233 -12.324 212 HB3 PHE 31 HB3 PHE 31 -11.581 17.800 -12.958 213 HD1 PHE 31 HD1 PHE 31 -10.979 14.273 -13.816 214 HD2 PHE 31 HD2 PHE 31 -12.530 18.015 -15.123 215 HE1 PHE 31 HE1 PHE 31 -12.051 13.157 -15.729 216 HE2 PHE 31 HE2 PHE 31 -13.605 16.906 -17.038 217 HZ PHE 31 HZ PHE 31 -13.364 14.473 -17.344 218 H TYR 32 H TYR 32 -10.617 19.480 -12.810 219 HA TYR 32 HA TYR 32 -8.909 19.949 -10.489 220 HB2 TYR 32 HB2 TYR 32 -9.279 22.229 -12.385 221 HB3 TYR 32 HB3 TYR 32 -8.003 21.953 -11.205 222 HD1 TYR 32 HD1 TYR 32 -9.217 21.107 -14.573 223 HD2 TYR 32 HD2 TYR 32 -6.043 20.684 -11.772 224 HE1 TYR 32 HE1 TYR 32 -7.762 20.247 -16.361 225 HE2 TYR 32 HE2 TYR 32 -4.579 19.824 -13.552 226 HH TYR 32 HH TYR 32 -4.542 20.117 -16.208 227 HA PRO 33 HA PRO 33 -12.586 21.541 -8.697 228 HB2 PRO 33 HB2 PRO 33 -11.563 23.337 -6.936 229 HB3 PRO 33 HB3 PRO 33 -11.445 21.588 -6.703 230 HG2 PRO 33 HG2 PRO 33 -9.402 23.500 -7.767 231 HG3 PRO 33 HG3 PRO 33 -9.192 22.161 -6.623 232 HD2 PRO 33 HD2 PRO 33 -8.546 21.954 -9.245 233 HD3 PRO 33 HD3 PRO 33 -9.140 20.575 -8.296 234 H GLU 34 H GLU 34 -13.022 22.565 -10.892 235 HA GLU 34 HA GLU 34 -13.759 24.331 -12.121 236 HB2 GLU 34 HB2 GLU 34 -13.756 25.686 -9.419 237 HB3 GLU 34 HB3 GLU 34 -14.501 26.347 -10.867 238 HG2 GLU 34 HG2 GLU 34 -15.651 23.898 -10.772 239 HG3 GLU 34 HG3 GLU 34 -15.431 24.238 -9.056 240 H GLY 35 H GLY 35 -10.837 23.950 -11.527 241 HA2 GLY 35 HA2 GLY 35 -9.772 25.966 -13.079 242 HA3 GLY 35 HA3 GLY 35 -9.637 26.535 -11.421 243 H GLU 36 H GLU 36 -7.788 25.375 -13.683 244 HA GLU 36 HA GLU 36 -6.448 23.297 -12.127 245 HB2 GLU 36 HB2 GLU 36 -5.239 22.759 -14.092 246 HB3 GLU 36 HB3 GLU 36 -6.893 23.058 -14.609 247 HG2 GLU 36 HG2 GLU 36 -5.995 25.486 -15.013 248 HG3 GLU 36 HG3 GLU 36 -4.437 24.665 -15.083 249 H ASP 37 H ASP 37 -6.446 26.131 -11.320 250 HA ASP 37 HA ASP 37 -3.570 26.721 -11.552 251 HB2 ASP 37 HB2 ASP 37 -5.287 28.438 -12.353 252 HB3 ASP 37 HB3 ASP 37 -5.692 28.665 -10.654 253 H LYS 38 H LYS 38 -4.930 24.840 -9.685 254 HA LYS 38 HA LYS 38 -3.782 25.932 -7.221 255 HB2 LYS 38 HB2 LYS 38 -5.841 24.624 -6.128 256 HB3 LYS 38 HB3 LYS 38 -5.924 26.328 -6.555 257 HG2 LYS 38 HG2 LYS 38 -6.677 24.418 -8.672 258 HG3 LYS 38 HG3 LYS 38 -7.763 24.527 -7.286 259 HD2 LYS 38 HD2 LYS 38 -7.042 27.167 -8.027 260 HD3 LYS 38 HD3 LYS 38 -7.507 26.305 -9.497 261 HE2 LYS 38 HE2 LYS 38 -9.574 26.974 -8.848 262 HE3 LYS 38 HE3 LYS 38 -9.482 25.494 -7.895 263 HZ1 LYS 38 HZ1 LYS 38 -9.399 28.270 -7.027 264 HZ2 LYS 38 HZ2 LYS 38 -8.375 27.204 -6.207 265 HZ3 LYS 38 HZ3 LYS 38 -10.039 26.911 -6.250 266 H THR 39 H THR 39 -5.483 23.010 -8.370 267 HA THR 39 HA THR 39 -3.139 21.386 -8.044 268 HB THR 39 HB THR 39 -5.443 20.637 -6.259 269 HG1 THR 39 HG1 THR 39 -4.731 21.960 -4.760 270 HG21 THR 39 HG21 THR 39 -2.515 19.894 -6.224 271 HG22 THR 39 HG22 THR 39 -3.810 18.899 -6.889 272 HG23 THR 39 HG23 THR 39 -3.770 19.256 -5.162 273 H GLU 40 H GLU 40 -3.360 19.322 -8.955 274 HA GLU 40 HA GLU 40 -5.735 19.031 -10.650 275 HB2 GLU 40 HB2 GLU 40 -4.294 17.343 -11.865 276 HB3 GLU 40 HB3 GLU 40 -3.744 19.011 -11.939 277 HG2 GLU 40 HG2 GLU 40 -2.061 18.589 -10.282 278 HG3 GLU 40 HG3 GLU 40 -2.674 16.958 -10.017 279 H VAL 41 H VAL 41 -7.238 17.600 -10.129 280 HA VAL 41 HA VAL 41 -6.550 15.451 -8.243 281 HB VAL 41 HB VAL 41 -9.326 16.392 -8.950 282 HG11 VAL 41 HG11 VAL 41 -9.135 14.152 -7.959 283 HG12 VAL 41 HG12 VAL 41 -8.278 14.847 -6.581 284 HG13 VAL 41 HG13 VAL 41 -9.960 15.282 -6.886 285 HG21 VAL 41 HG21 VAL 41 -9.147 17.521 -6.646 286 HG22 VAL 41 HG22 VAL 41 -7.403 17.407 -6.885 287 HG23 VAL 41 HG23 VAL 41 -8.391 18.320 -8.026 288 H CYS 42 H CYS 42 -6.188 13.548 -9.160 289 HA CYS 42 HA CYS 42 -7.700 12.836 -11.585 290 HB2 CYS 42 HB2 CYS 42 -5.086 11.659 -10.618 291 HB3 CYS 42 HB3 CYS 42 -5.884 11.331 -12.153 292 H SER 43 H SER 43 -8.562 10.737 -11.780 293 HA SER 43 HA SER 43 -8.525 8.989 -9.460 294 HB2 SER 43 HB2 SER 43 -11.119 8.889 -9.619 295 HB3 SER 43 HB3 SER 43 -10.375 10.226 -8.743 296 HG SER 43 HG SER 43 -11.735 11.251 -10.058 297 H CYS 44 H CYS 44 -9.219 6.865 -9.903 298 HA CYS 44 HA CYS 44 -8.789 6.034 -12.599 299 HB2 CYS 44 HB2 CYS 44 -8.346 4.807 -10.291 300 HB3 CYS 44 HB3 CYS 44 -9.968 4.186 -10.573 301 H GLN 45 H GLN 45 -10.215 5.643 -14.171 302 HA GLN 45 HA GLN 45 -13.033 5.239 -13.498 303 HB2 GLN 45 HB2 GLN 45 -12.002 7.333 -15.414 304 HB3 GLN 45 HB3 GLN 45 -13.682 6.824 -15.329 305 HG2 GLN 45 HG2 GLN 45 -12.499 7.644 -12.772 306 HG3 GLN 45 HG3 GLN 45 -12.646 8.919 -13.981 307 HE21 GLN 45 HE21 GLN 45 -14.280 6.915 -11.749 308 HE22 GLN 45 HE22 GLN 45 -15.874 7.523 -12.019 309 H GLN 46 H GLN 46 -14.280 4.770 -15.644 310 HA GLN 46 HA GLN 46 -12.768 2.674 -17.002 311 HB2 GLN 46 HB2 GLN 46 -14.867 1.748 -17.647 312 HB3 GLN 46 HB3 GLN 46 -15.011 2.216 -15.958 313 HG2 GLN 46 HG2 GLN 46 -15.856 4.460 -17.309 314 HG3 GLN 46 HG3 GLN 46 -16.487 3.133 -18.282 315 HE21 GLN 46 HE21 GLN 46 -16.766 4.913 -15.382 316 HE22 GLN 46 HE22 GLN 46 -18.111 4.058 -14.716 317 HA PRO 47 HA PRO 47 -12.304 4.937 -20.743 318 HB2 PRO 47 HB2 PRO 47 -12.160 2.877 -22.506 319 HB3 PRO 47 HB3 PRO 47 -10.847 3.283 -21.393 320 HG2 PRO 47 HG2 PRO 47 -12.944 1.160 -21.154 321 HG3 PRO 47 HG3 PRO 47 -11.209 1.064 -20.800 322 HD2 PRO 47 HD2 PRO 47 -13.076 1.377 -18.864 323 HD3 PRO 47 HD3 PRO 47 -11.446 2.070 -18.740 324 H LYS 48 H LYS 48 -13.281 5.208 -22.915 325 HA LYS 48 HA LYS 48 -16.054 5.484 -22.789 326 HB2 LYS 48 HB2 LYS 48 -14.052 6.283 -24.522 327 HB3 LYS 48 HB3 LYS 48 -15.031 5.207 -25.511 328 HG2 LYS 48 HG2 LYS 48 -16.580 6.766 -25.767 329 HG3 LYS 48 HG3 LYS 48 -16.727 6.974 -24.021 330 HD2 LYS 48 HD2 LYS 48 -14.561 8.247 -25.687 331 HD3 LYS 48 HD3 LYS 48 -16.081 9.044 -25.277 332 HE2 LYS 48 HE2 LYS 48 -15.531 8.671 -22.869 333 HE3 LYS 48 HE3 LYS 48 -13.950 8.078 -23.376 334 HZ1 LYS 48 HZ1 LYS 48 -14.714 10.661 -24.447 335 HZ2 LYS 48 HZ2 LYS 48 -13.228 10.141 -23.829 336 HZ3 LYS 48 HZ3 LYS 48 -14.459 10.624 -22.775 337 H SER 49 H SER 49 -14.068 2.940 -24.228 338 HA SER 49 HA SER 49 -16.153 1.522 -25.478 339 HB2 SER 49 HB2 SER 49 -14.552 -0.406 -25.430 340 HB3 SER 49 HB3 SER 49 -13.858 1.077 -26.086 341 HG SER 49 HG SER 49 -12.529 -0.067 -24.516 342 H HIS 50 H HIS 50 -14.826 1.400 -22.219 343 HA HIS 50 HA HIS 50 -16.191 -0.923 -21.369 344 HB2 HIS 50 HB2 HIS 50 -14.641 1.238 -20.110 345 HB3 HIS 50 HB3 HIS 50 -15.863 0.515 -19.067 346 HD1 HIS 50 HD1 HIS 50 -14.589 -1.006 -17.579 347 HD2 HIS 50 HD2 HIS 50 -13.414 -1.367 -21.548 348 HE1 HIS 50 HE1 HIS 50 -12.947 -2.910 -17.624 349 H LYS 51 H LYS 51 -16.899 2.515 -20.736 350 HA LYS 51 HA LYS 51 -19.345 2.128 -19.452 351 HB2 LYS 51 HB2 LYS 51 -19.819 4.492 -20.076 352 HB3 LYS 51 HB3 LYS 51 -18.233 4.263 -19.350 353 HG2 LYS 51 HG2 LYS 51 -17.263 4.240 -21.644 354 HG3 LYS 51 HG3 LYS 51 -18.861 4.661 -22.267 355 HD2 LYS 51 HD2 LYS 51 -17.229 6.283 -20.312 356 HD3 LYS 51 HD3 LYS 51 -17.466 6.648 -22.023 357 HE2 LYS 51 HE2 LYS 51 -19.584 6.577 -19.876 358 HE3 LYS 51 HE3 LYS 51 -18.947 8.009 -20.682 359 HZ1 LYS 51 HZ1 LYS 51 -20.660 7.744 -22.060 360 HZ2 LYS 51 HZ2 LYS 51 -20.955 6.154 -21.565 361 HZ3 LYS 51 HZ3 LYS 51 -19.783 6.468 -22.743 362 H ILE 52 H ILE 52 -18.635 2.661 -22.887 363 HA ILE 52 HA ILE 52 -21.316 2.700 -23.764 364 HB ILE 52 HB ILE 52 -18.760 2.035 -25.221 365 HG12 ILE 52 HG12 ILE 52 -19.099 4.373 -24.405 366 HG13 ILE 52 HG13 ILE 52 -18.981 4.249 -26.157 367 HG21 ILE 52 HG21 ILE 52 -20.279 0.920 -26.549 368 HG22 ILE 52 HG22 ILE 52 -21.591 2.034 -26.168 369 HG23 ILE 52 HG23 ILE 52 -20.301 2.532 -27.263 370 HD11 ILE 52 HD11 ILE 52 -20.723 5.805 -25.467 371 HD12 ILE 52 HD12 ILE 52 -21.396 4.429 -26.343 372 HD13 ILE 52 HD13 ILE 52 -21.535 4.509 -24.587 373 H ALA 53 H ALA 53 -18.904 0.080 -23.748 374 HA ALA 53 HA ALA 53 -20.430 -1.936 -24.864 375 HB1 ALA 53 HB1 ALA 53 -18.029 -2.121 -24.359 376 HB2 ALA 53 HB2 ALA 53 -18.414 -2.249 -22.643 377 HB3 ALA 53 HB3 ALA 53 -18.947 -3.503 -23.763 378 H GLU 54 H GLU 54 -20.121 -1.116 -21.409 379 HA GLU 54 HA GLU 54 -21.920 -3.055 -20.466 380 HB2 GLU 54 HB2 GLU 54 -20.582 -0.676 -19.392 381 HB3 GLU 54 HB3 GLU 54 -22.134 -1.018 -18.640 382 HG2 GLU 54 HG2 GLU 54 -20.783 -3.472 -18.805 383 HG3 GLU 54 HG3 GLU 54 -19.606 -2.289 -18.239 384 H LYS 55 H LYS 55 -22.408 0.339 -21.366 385 HA LYS 55 HA LYS 55 -25.063 0.632 -20.632 386 HB2 LYS 55 HB2 LYS 55 -23.192 1.990 -22.394 387 HB3 LYS 55 HB3 LYS 55 -24.834 2.051 -23.020 388 HG2 LYS 55 HG2 LYS 55 -24.522 3.988 -21.703 389 HG3 LYS 55 HG3 LYS 55 -25.556 2.902 -20.773 390 HD2 LYS 55 HD2 LYS 55 -23.368 2.096 -19.682 391 HD3 LYS 55 HD3 LYS 55 -22.659 3.566 -20.354 392 HE2 LYS 55 HE2 LYS 55 -23.308 4.399 -18.347 393 HE3 LYS 55 HE3 LYS 55 -24.819 4.640 -19.224 394 HZ1 LYS 55 HZ1 LYS 55 -24.607 3.332 -16.893 395 HZ2 LYS 55 HZ2 LYS 55 -24.542 2.043 -17.987 396 HZ3 LYS 55 HZ3 LYS 55 -25.862 3.099 -18.003 397 H ILE 56 H ILE 56 -23.766 -0.472 -23.758 398 HA ILE 56 HA ILE 56 -26.253 -0.936 -24.983 399 HB ILE 56 HB ILE 56 -23.606 -2.286 -25.527 400 HG12 ILE 56 HG12 ILE 56 -23.559 0.181 -25.736 401 HG13 ILE 56 HG13 ILE 56 -23.338 -0.624 -27.286 402 HG21 ILE 56 HG21 ILE 56 -26.131 -2.142 -27.167 403 HG22 ILE 56 HG22 ILE 56 -24.577 -2.717 -27.771 404 HG23 ILE 56 HG23 ILE 56 -25.394 -3.586 -26.472 405 HD11 ILE 56 HD11 ILE 56 -25.025 0.525 -28.125 406 HD12 ILE 56 HD12 ILE 56 -26.112 -0.147 -26.909 407 HD13 ILE 56 HD13 ILE 56 -25.230 1.344 -26.578 408 H ILE 57 H ILE 57 -24.001 -3.247 -23.463 409 HA ILE 57 HA ILE 57 -25.501 -5.547 -23.729 410 HB ILE 57 HB ILE 57 -23.746 -4.786 -21.391 411 HG12 ILE 57 HG12 ILE 57 -22.938 -6.583 -23.649 412 HG13 ILE 57 HG13 ILE 57 -22.857 -4.838 -23.859 413 HG21 ILE 57 HG21 ILE 57 -24.546 -6.661 -20.480 414 HG22 ILE 57 HG22 ILE 57 -25.302 -7.173 -21.988 415 HG23 ILE 57 HG23 ILE 57 -23.595 -7.510 -21.699 416 HD11 ILE 57 HD11 ILE 57 -21.168 -6.634 -22.268 417 HD12 ILE 57 HD12 ILE 57 -20.780 -5.111 -23.068 418 HD13 ILE 57 HD13 ILE 57 -21.586 -5.103 -21.500 419 H ASP 58 H ASP 58 -25.699 -3.063 -21.220 420 HA ASP 58 HA ASP 58 -27.609 -4.406 -19.614 421 HB2 ASP 58 HB2 ASP 58 -26.611 -1.590 -19.807 422 HB3 ASP 58 HB3 ASP 58 -28.049 -1.930 -18.847 423 H LYS 59 H LYS 59 -27.890 -1.973 -22.173 424 HA LYS 59 HA LYS 59 -30.678 -1.611 -21.990 425 HB2 LYS 59 HB2 LYS 59 -28.843 -0.261 -23.285 426 HB3 LYS 59 HB3 LYS 59 -29.223 -1.368 -24.598 427 HG2 LYS 59 HG2 LYS 59 -31.172 -0.365 -25.044 428 HG3 LYS 59 HG3 LYS 59 -31.566 -0.149 -23.337 429 HD2 LYS 59 HD2 LYS 59 -29.356 1.501 -24.406 430 HD3 LYS 59 HD3 LYS 59 -30.980 1.889 -24.980 431 HE2 LYS 59 HE2 LYS 59 -31.758 2.290 -22.779 432 HE3 LYS 59 HE3 LYS 59 -30.314 1.577 -22.062 433 HZ1 LYS 59 HZ1 LYS 59 -29.482 3.616 -21.987 434 HZ2 LYS 59 HZ2 LYS 59 -30.766 4.255 -22.884 435 HZ3 LYS 59 HZ3 LYS 59 -29.414 3.618 -23.677 436 H ALA 60 H ALA 60 -28.703 -3.987 -23.633 437 HA ALA 60 HA ALA 60 -30.819 -5.049 -25.242 438 HB1 ALA 60 HB1 ALA 60 -27.990 -5.572 -24.825 439 HB2 ALA 60 HB2 ALA 60 -28.932 -7.047 -25.044 440 HB3 ALA 60 HB3 ALA 60 -28.980 -5.779 -26.269 441 H LYS 61 H LYS 61 -29.050 -6.401 -22.449 442 HA LYS 61 HA LYS 61 -30.747 -8.587 -22.043 443 HB2 LYS 61 HB2 LYS 61 -28.405 -7.959 -21.014 444 HB3 LYS 61 HB3 LYS 61 -29.386 -7.274 -19.725 445 HG2 LYS 61 HG2 LYS 61 -29.053 -9.372 -18.907 446 HG3 LYS 61 HG3 LYS 61 -30.552 -9.628 -19.805 447 HD2 LYS 61 HD2 LYS 61 -28.615 -10.052 -21.711 448 HD3 LYS 61 HD3 LYS 61 -27.886 -10.728 -20.252 449 HE2 LYS 61 HE2 LYS 61 -29.057 -12.567 -20.791 450 HE3 LYS 61 HE3 LYS 61 -30.414 -11.699 -20.073 451 HZ1 LYS 61 HZ1 LYS 61 -29.790 -12.155 -22.905 452 HZ2 LYS 61 HZ2 LYS 61 -30.640 -10.757 -22.476 453 HZ3 LYS 61 HZ3 LYS 61 -31.271 -12.280 -22.097 454 H THR 62 H THR 62 -30.675 -5.464 -20.325 455 HA THR 62 HA THR 62 -32.292 -4.294 -19.230 456 HB THR 62 HB THR 62 -34.448 -6.026 -20.381 457 HG1 THR 62 HG1 THR 62 -33.048 -4.014 -21.839 458 HG21 THR 62 HG21 THR 62 -35.504 -4.349 -19.272 459 HG22 THR 62 HG22 THR 62 -35.207 -3.481 -20.780 460 HG23 THR 62 HG23 THR 62 -34.129 -3.252 -19.402 461 H THR 63 H THR 63 -31.289 -7.083 -18.364 462 HA THR 63 HA THR 63 -33.440 -7.856 -16.544 463 HB THR 63 HB THR 63 -30.744 -9.179 -16.872 464 HG1 THR 63 HG1 THR 63 -32.431 -9.033 -18.744 465 HG21 THR 63 HG21 THR 63 -33.326 -10.370 -15.878 466 HG22 THR 63 HG22 THR 63 -32.145 -9.623 -14.802 467 HG23 THR 63 HG23 THR 63 -31.698 -11.037 -15.756 468 H LEU 64 H LEU 64 -30.188 -6.521 -16.523 469 HA LEU 64 HA LEU 64 -30.176 -6.416 -13.606 470 HB2 LEU 64 HB2 LEU 64 -28.024 -5.357 -15.405 471 HB3 LEU 64 HB3 LEU 64 -27.894 -5.902 -13.734 472 HG LEU 64 HG LEU 64 -28.438 -7.733 -16.067 473 HD11 LEU 64 HD11 LEU 64 -25.886 -6.794 -14.831 474 HD12 LEU 64 HD12 LEU 64 -26.290 -7.028 -16.530 475 HD13 LEU 64 HD13 LEU 64 -26.003 -8.424 -15.493 476 HD21 LEU 64 HD21 LEU 64 -27.298 -9.179 -14.041 477 HD22 LEU 64 HD22 LEU 64 -29.023 -9.103 -14.399 478 HD23 LEU 64 HD23 LEU 64 -28.330 -8.048 -13.166 Start of MODEL 15 1 H1 ALA 1 H ALA 1 4.446 -5.939 -4.770 2 HA ALA 1 HA ALA 1 2.767 -7.142 -2.753 3 HB1 ALA 1 HB1 ALA 1 3.556 -4.653 -2.999 4 HB2 ALA 1 HB2 ALA 1 2.117 -4.521 -4.011 5 HB3 ALA 1 HB3 ALA 1 1.968 -5.035 -2.330 6 H LYS 2 H LYS 2 0.363 -6.984 -2.946 7 HA LYS 2 HA LYS 2 -0.494 -7.697 -5.674 8 HB2 LYS 2 HB2 LYS 2 -1.219 -8.843 -3.000 9 HB3 LYS 2 HB3 LYS 2 -2.355 -8.952 -4.338 10 HG2 LYS 2 HG2 LYS 2 -0.128 -9.856 -5.544 11 HG3 LYS 2 HG3 LYS 2 0.181 -10.373 -3.885 12 HD2 LYS 2 HD2 LYS 2 -1.110 -12.139 -4.317 13 HD3 LYS 2 HD3 LYS 2 -2.480 -11.027 -4.318 14 HE2 LYS 2 HE2 LYS 2 -1.568 -10.663 -6.827 15 HE3 LYS 2 HE3 LYS 2 -1.090 -12.340 -6.567 16 HZ1 LYS 2 HZ1 LYS 2 -3.601 -12.346 -5.642 17 HZ2 LYS 2 HZ2 LYS 2 -3.175 -12.761 -7.225 18 HZ3 LYS 2 HZ3 LYS 2 -3.730 -11.200 -6.881 19 H ALA 3 H ALA 3 -0.474 -5.074 -4.181 20 HA ALA 3 HA ALA 3 -3.273 -4.478 -3.770 21 HB1 ALA 3 HB1 ALA 3 -2.233 -2.077 -3.598 22 HB2 ALA 3 HB2 ALA 3 -2.010 -3.251 -2.301 23 HB3 ALA 3 HB3 ALA 3 -0.719 -2.973 -3.470 24 H CYS 4 H CYS 4 -4.645 -3.655 -5.220 25 HA CYS 4 HA CYS 4 -3.539 -2.699 -7.780 26 HB2 CYS 4 HB2 CYS 4 -5.753 -4.560 -7.156 27 HB3 CYS 4 HB3 CYS 4 -6.073 -3.394 -8.436 28 H THR 5 H THR 5 -4.881 -1.111 -8.922 29 HA THR 5 HA THR 5 -6.289 0.654 -7.025 30 HB THR 5 HB THR 5 -4.741 1.408 -9.512 31 HG1 THR 5 HG1 THR 5 -3.261 1.135 -7.938 32 HG21 THR 5 HG21 THR 5 -5.404 3.619 -7.817 33 HG22 THR 5 HG22 THR 5 -6.880 2.756 -8.252 34 HG23 THR 5 HG23 THR 5 -5.808 3.363 -9.514 35 HA PRO 6 HA PRO 6 -9.463 -0.729 -10.081 36 HB2 PRO 6 HB2 PRO 6 -11.464 -0.893 -8.253 37 HB3 PRO 6 HB3 PRO 6 -10.328 -2.213 -8.555 38 HG2 PRO 6 HG2 PRO 6 -10.319 -0.171 -6.366 39 HG3 PRO 6 HG3 PRO 6 -10.003 -1.913 -6.272 40 HD2 PRO 6 HD2 PRO 6 -8.019 -0.071 -6.301 41 HD3 PRO 6 HD3 PRO 6 -7.832 -1.686 -7.015 42 H LEU 7 H LEU 7 -11.966 0.177 -9.880 43 HA LEU 7 HA LEU 7 -11.795 2.875 -10.616 44 HB2 LEU 7 HB2 LEU 7 -13.595 1.665 -11.486 45 HB3 LEU 7 HB3 LEU 7 -14.080 1.073 -9.899 46 HG LEU 7 HG LEU 7 -14.788 3.406 -9.335 47 HD11 LEU 7 HD11 LEU 7 -15.146 4.331 -12.008 48 HD12 LEU 7 HD12 LEU 7 -13.436 3.994 -11.739 49 HD13 LEU 7 HD13 LEU 7 -14.294 5.103 -10.670 50 HD21 LEU 7 HD21 LEU 7 -16.880 3.243 -10.461 51 HD22 LEU 7 HD22 LEU 7 -16.323 1.599 -10.146 52 HD23 LEU 7 HD23 LEU 7 -16.173 2.286 -11.764 53 H LEU 8 H LEU 8 -12.542 4.769 -9.597 54 HA LEU 8 HA LEU 8 -12.740 6.245 -7.880 55 HB2 LEU 8 HB2 LEU 8 -14.075 3.814 -6.751 56 HB3 LEU 8 HB3 LEU 8 -13.870 5.263 -5.769 57 HG LEU 8 HG LEU 8 -15.403 5.083 -8.361 58 HD11 LEU 8 HD11 LEU 8 -17.375 5.321 -7.032 59 HD12 LEU 8 HD12 LEU 8 -16.423 5.516 -5.561 60 HD13 LEU 8 HD13 LEU 8 -16.447 3.963 -6.396 61 HD21 LEU 8 HD21 LEU 8 -14.895 7.378 -6.476 62 HD22 LEU 8 HD22 LEU 8 -16.152 7.379 -7.713 63 HD23 LEU 8 HD23 LEU 8 -14.455 7.265 -8.181 64 H HIS 9 H HIS 9 -10.249 5.631 -8.078 65 HA HIS 9 HA HIS 9 -9.325 5.394 -5.321 66 HB2 HIS 9 HB2 HIS 9 -8.731 3.470 -7.496 67 HB3 HIS 9 HB3 HIS 9 -7.366 3.964 -6.499 68 HD1 HIS 9 HD1 HIS 9 -7.031 2.596 -4.471 69 HD2 HIS 9 HD2 HIS 9 -10.977 2.491 -5.766 70 HE1 HIS 9 HE1 HIS 9 -8.201 0.989 -2.931 71 H ASP 10 H ASP 10 -6.948 5.950 -5.169 72 HA ASP 10 HA ASP 10 -6.505 8.399 -6.607 73 HB2 ASP 10 HB2 ASP 10 -5.007 6.932 -4.449 74 HB3 ASP 10 HB3 ASP 10 -4.307 8.336 -5.250 75 H CYS 11 H CYS 11 -5.552 8.549 -8.516 76 HA CYS 11 HA CYS 11 -3.422 6.642 -9.197 77 HB2 CYS 11 HB2 CYS 11 -4.264 6.415 -11.456 78 HB3 CYS 11 HB3 CYS 11 -5.534 5.972 -10.321 79 H SER 12 H SER 12 -4.045 9.705 -8.539 80 HA SER 12 HA SER 12 -3.097 11.217 -10.692 81 HB2 SER 12 HB2 SER 12 -4.214 12.103 -8.610 82 HB3 SER 12 HB3 SER 12 -2.681 11.873 -7.769 83 HG SER 12 HG SER 12 -2.123 13.729 -8.550 84 H HIS 13 H HIS 13 -1.433 9.246 -8.383 85 HA HIS 13 HA HIS 13 1.162 10.401 -8.861 86 HB2 HIS 13 HB2 HIS 13 0.161 8.017 -7.332 87 HB3 HIS 13 HB3 HIS 13 1.884 8.228 -7.629 88 HD1 HIS 13 HD1 HIS 13 3.029 9.349 -5.761 89 HD2 HIS 13 HD2 HIS 13 -0.918 10.599 -6.108 90 HE1 HIS 13 HE1 HIS 13 2.676 10.988 -3.887 91 H ASP 14 H ASP 14 -0.821 8.055 -10.370 92 HA ASP 14 HA ASP 14 1.056 7.667 -12.480 93 HB2 ASP 14 HB2 ASP 14 0.795 5.597 -10.367 94 HB3 ASP 14 HB3 ASP 14 0.818 5.028 -12.034 95 H ARG 15 H ARG 15 -0.223 7.758 -14.194 96 HA ARG 15 HA ARG 15 -3.012 7.190 -14.069 97 HB2 ARG 15 HB2 ARG 15 -1.321 7.579 -16.542 98 HB3 ARG 15 HB3 ARG 15 -3.063 7.779 -16.407 99 HG2 ARG 15 HG2 ARG 15 -2.831 9.738 -15.104 100 HG3 ARG 15 HG3 ARG 15 -1.108 9.451 -14.857 101 HD2 ARG 15 HD2 ARG 15 -2.295 9.880 -17.584 102 HD3 ARG 15 HD3 ARG 15 -1.758 11.218 -16.571 103 HE ARG 15 HE ARG 15 -0.112 9.448 -18.076 104 HH11 ARG 15 HH11 ARG 15 -0.241 11.334 -15.153 105 HH12 ARG 15 HH12 ARG 15 1.477 11.523 -15.043 106 HH21 ARG 15 HH21 ARG 15 2.153 9.689 -17.943 107 HH22 ARG 15 HH22 ARG 15 2.837 10.589 -16.631 108 H HIS 16 H HIS 16 -0.226 5.310 -14.720 109 HA HIS 16 HA HIS 16 -1.813 3.206 -16.009 110 HB2 HIS 16 HB2 HIS 16 1.082 3.900 -15.969 111 HB3 HIS 16 HB3 HIS 16 0.655 2.198 -16.128 112 HD1 HIS 16 HD1 HIS 16 -1.542 2.100 -18.070 113 HD2 HIS 16 HD2 HIS 16 1.541 4.860 -18.441 114 HE1 HIS 16 HE1 HIS 16 -1.526 2.769 -20.494 115 H SER 17 H SER 17 -1.848 3.931 -13.110 116 HA SER 17 HA SER 17 -0.579 1.687 -11.795 117 HB2 SER 17 HB2 SER 17 -2.049 4.125 -10.927 118 HB3 SER 17 HB3 SER 17 -2.069 2.740 -9.837 119 HG SER 17 HG SER 17 -0.266 3.823 -9.281 120 H CYS 18 H CYS 18 -3.852 2.742 -12.612 121 HA CYS 18 HA CYS 18 -5.348 0.841 -11.286 122 HB2 CYS 18 HB2 CYS 18 -5.801 2.108 -13.991 123 HB3 CYS 18 HB3 CYS 18 -7.005 1.122 -13.168 124 H CYS 19 H CYS 19 -5.764 -1.277 -11.523 125 HA CYS 19 HA CYS 19 -4.135 -2.799 -13.344 126 HB2 CYS 19 HB2 CYS 19 -6.206 -3.623 -11.303 127 HB3 CYS 19 HB3 CYS 19 -5.266 -4.763 -12.261 128 H ARG 20 H ARG 20 -5.100 -4.576 -14.657 129 HA ARG 20 HA ARG 20 -7.145 -3.483 -16.365 130 HB2 ARG 20 HB2 ARG 20 -5.332 -4.608 -17.442 131 HB3 ARG 20 HB3 ARG 20 -5.549 -6.041 -16.446 132 HG2 ARG 20 HG2 ARG 20 -7.555 -6.624 -17.561 133 HG3 ARG 20 HG3 ARG 20 -7.633 -5.061 -18.377 134 HD2 ARG 20 HD2 ARG 20 -6.235 -5.714 -20.001 135 HD3 ARG 20 HD3 ARG 20 -5.146 -6.508 -18.864 136 HE ARG 20 HE ARG 20 -7.564 -7.977 -19.265 137 HH11 ARG 20 HH11 ARG 20 -4.421 -7.302 -20.603 138 HH12 ARG 20 HH12 ARG 20 -4.322 -8.803 -21.465 139 HH21 ARG 20 HH21 ARG 20 -7.444 -9.955 -20.393 140 HH22 ARG 20 HH22 ARG 20 -6.043 -10.310 -21.345 141 H GLY 21 H GLY 21 -9.150 -4.451 -16.862 142 HA2 GLY 21 HA2 GLY 21 -10.277 -5.951 -14.608 143 HA3 GLY 21 HA3 GLY 21 -11.192 -5.061 -15.815 144 H ASP 22 H ASP 22 -12.475 -7.078 -15.815 145 HA ASP 22 HA ASP 22 -11.292 -9.427 -16.989 146 HB2 ASP 22 HB2 ASP 22 -13.158 -9.533 -15.338 147 HB3 ASP 22 HB3 ASP 22 -14.216 -8.799 -16.540 148 H MET 23 H MET 23 -13.064 -6.640 -18.088 149 HA MET 23 HA MET 23 -13.249 -7.790 -20.785 150 HB2 MET 23 HB2 MET 23 -14.571 -5.277 -19.757 151 HB3 MET 23 HB3 MET 23 -14.902 -6.107 -21.272 152 HG2 MET 23 HG2 MET 23 -16.581 -7.077 -20.190 153 HG3 MET 23 HG3 MET 23 -15.347 -8.067 -19.415 154 HE1 MET 23 HE1 MET 23 -17.779 -5.476 -19.458 155 HE2 MET 23 HE2 MET 23 -18.514 -5.936 -17.922 156 HE3 MET 23 HE3 MET 23 -17.564 -4.453 -18.037 157 H PHE 24 H PHE 24 -12.616 -4.599 -19.316 158 HA PHE 24 HA PHE 24 -10.279 -4.293 -21.030 159 HB2 PHE 24 HB2 PHE 24 -12.404 -2.149 -20.959 160 HB3 PHE 24 HB3 PHE 24 -10.966 -2.205 -21.974 161 HD1 PHE 24 HD1 PHE 24 -14.305 -3.639 -21.415 162 HD2 PHE 24 HD2 PHE 24 -10.931 -3.451 -24.002 163 HE1 PHE 24 HE1 PHE 24 -15.608 -4.739 -23.188 164 HE2 PHE 24 HE2 PHE 24 -12.228 -4.549 -25.781 165 HZ PHE 24 HZ PHE 24 -14.570 -5.194 -25.375 166 H LYS 25 H LYS 25 -8.689 -3.057 -20.142 167 HA LYS 25 HA LYS 25 -8.626 -2.641 -17.394 168 HB2 LYS 25 HB2 LYS 25 -6.540 -1.574 -17.719 169 HB3 LYS 25 HB3 LYS 25 -6.666 -2.769 -19.005 170 HG2 LYS 25 HG2 LYS 25 -7.632 -0.755 -20.367 171 HG3 LYS 25 HG3 LYS 25 -6.777 0.203 -19.157 172 HD2 LYS 25 HD2 LYS 25 -5.409 -2.034 -20.614 173 HD3 LYS 25 HD3 LYS 25 -5.540 -0.426 -21.330 174 HE2 LYS 25 HE2 LYS 25 -3.694 0.105 -20.201 175 HE3 LYS 25 HE3 LYS 25 -4.675 0.049 -18.737 176 HZ1 LYS 25 HZ1 LYS 25 -4.137 -2.401 -18.690 177 HZ2 LYS 25 HZ2 LYS 25 -2.855 -1.352 -18.345 178 HZ3 LYS 25 HZ3 LYS 25 -2.963 -2.085 -19.866 179 H TYR 26 H TYR 26 -8.392 -0.590 -16.221 180 HA TYR 26 HA TYR 26 -10.485 1.265 -17.028 181 HB2 TYR 26 HB2 TYR 26 -8.876 1.235 -14.469 182 HB3 TYR 26 HB3 TYR 26 -10.366 2.121 -14.770 183 HD1 TYR 26 HD1 TYR 26 -12.214 0.295 -15.876 184 HD2 TYR 26 HD2 TYR 26 -9.206 -0.476 -12.965 185 HE1 TYR 26 HE1 TYR 26 -13.522 -1.612 -15.037 186 HE2 TYR 26 HE2 TYR 26 -10.506 -2.386 -12.121 187 HH TYR 26 HH TYR 26 -13.689 -2.880 -12.781 188 H VAL 27 H VAL 27 -10.081 3.634 -16.582 189 HA VAL 27 HA VAL 27 -7.368 4.384 -17.465 190 HB VAL 27 HB VAL 27 -8.726 4.814 -19.335 191 HG11 VAL 27 HG11 VAL 27 -10.914 4.538 -18.532 192 HG12 VAL 27 HG12 VAL 27 -10.741 5.845 -17.359 193 HG13 VAL 27 HG13 VAL 27 -10.845 6.212 -19.082 194 HG21 VAL 27 HG21 VAL 27 -8.498 7.122 -19.655 195 HG22 VAL 27 HG22 VAL 27 -8.800 7.479 -17.954 196 HG23 VAL 27 HG23 VAL 27 -7.280 6.730 -18.441 197 H CYS 28 H CYS 28 -6.494 6.301 -16.647 198 HA CYS 28 HA CYS 28 -7.608 7.103 -14.076 199 HB2 CYS 28 HB2 CYS 28 -5.227 6.511 -14.189 200 HB3 CYS 28 HB3 CYS 28 -4.960 7.786 -15.372 201 H ASP 29 H ASP 29 -9.001 8.732 -14.054 202 HA ASP 29 HA ASP 29 -8.912 10.774 -16.127 203 HB2 ASP 29 HB2 ASP 29 -10.902 9.967 -14.038 204 HB3 ASP 29 HB3 ASP 29 -11.001 11.573 -14.754 205 H CYS 30 H CYS 30 -8.925 13.039 -15.630 206 HA CYS 30 HA CYS 30 -7.924 13.774 -12.979 207 HB2 CYS 30 HB2 CYS 30 -6.553 14.373 -15.600 208 HB3 CYS 30 HB3 CYS 30 -6.223 15.273 -14.123 209 H PHE 31 H PHE 31 -8.563 15.763 -12.278 210 HA PHE 31 HA PHE 31 -9.815 17.609 -14.155 211 HB2 PHE 31 HB2 PHE 31 -11.232 16.221 -11.902 212 HB3 PHE 31 HB3 PHE 31 -11.732 17.833 -12.405 213 HD1 PHE 31 HD2 PHE 31 -11.879 18.006 -15.119 214 HD2 PHE 31 HD1 PHE 31 -12.456 14.502 -12.771 215 HE1 PHE 31 HE2 PHE 31 -13.234 17.024 -16.923 216 HE2 PHE 31 HE1 PHE 31 -13.812 13.515 -14.572 217 HZ PHE 31 HZ PHE 31 -14.203 14.776 -16.651 218 H TYR 32 H TYR 32 -10.607 19.620 -12.829 219 HA TYR 32 HA TYR 32 -8.849 20.181 -10.566 220 HB2 TYR 32 HB2 TYR 32 -8.965 22.174 -12.808 221 HB3 TYR 32 HB3 TYR 32 -7.780 22.031 -11.514 222 HD1 TYR 32 HD1 TYR 32 -8.850 20.715 -14.772 223 HD2 TYR 32 HD2 TYR 32 -5.913 20.513 -11.699 224 HE1 TYR 32 HE1 TYR 32 -7.371 19.451 -16.276 225 HE2 TYR 32 HE2 TYR 32 -4.426 19.250 -13.196 226 HH TYR 32 HH TYR 32 -4.148 19.040 -15.767 227 HA PRO 33 HA PRO 33 -12.303 22.412 -9.029 228 HB2 PRO 33 HB2 PRO 33 -11.073 24.313 -7.531 229 HB3 PRO 33 HB3 PRO 33 -11.142 22.611 -7.057 230 HG2 PRO 33 HG2 PRO 33 -8.915 24.124 -8.368 231 HG3 PRO 33 HG3 PRO 33 -8.840 22.942 -7.049 232 HD2 PRO 33 HD2 PRO 33 -8.248 22.302 -9.612 233 HD3 PRO 33 HD3 PRO 33 -8.978 21.143 -8.483 234 H GLU 34 H GLU 34 -12.652 23.162 -11.347 235 HA GLU 34 HA GLU 34 -13.153 24.803 -12.843 236 HB2 GLU 34 HB2 GLU 34 -13.199 26.396 -10.279 237 HB3 GLU 34 HB3 GLU 34 -13.694 27.057 -11.831 238 HG2 GLU 34 HG2 GLU 34 -14.939 24.522 -10.910 239 HG3 GLU 34 HG3 GLU 34 -15.436 26.035 -10.155 240 H GLY 35 H GLY 35 -10.315 24.253 -12.176 241 HA2 GLY 35 HA2 GLY 35 -9.051 26.036 -13.860 242 HA3 GLY 35 HA3 GLY 35 -8.884 26.720 -12.250 243 H GLU 36 H GLU 36 -7.111 25.239 -14.371 244 HA GLU 36 HA GLU 36 -6.070 23.028 -12.838 245 HB2 GLU 36 HB2 GLU 36 -4.538 22.700 -14.650 246 HB3 GLU 36 HB3 GLU 36 -6.113 23.070 -15.338 247 HG2 GLU 36 HG2 GLU 36 -5.123 25.533 -15.282 248 HG3 GLU 36 HG3 GLU 36 -3.607 24.639 -15.378 249 H ASP 37 H ASP 37 -5.810 26.265 -12.478 250 HA ASP 37 HA ASP 37 -2.980 26.266 -11.736 251 HB2 ASP 37 HB2 ASP 37 -4.307 28.148 -13.053 252 HB3 ASP 37 HB3 ASP 37 -4.708 28.678 -11.422 253 H LYS 38 H LYS 38 -5.120 24.844 -10.230 254 HA LYS 38 HA LYS 38 -4.659 26.139 -7.626 255 HB2 LYS 38 HB2 LYS 38 -7.189 25.075 -8.802 256 HB3 LYS 38 HB3 LYS 38 -6.936 24.907 -7.069 257 HG2 LYS 38 HG2 LYS 38 -7.745 26.956 -6.843 258 HG3 LYS 38 HG3 LYS 38 -6.278 27.552 -7.625 259 HD2 LYS 38 HD2 LYS 38 -7.307 27.658 -9.728 260 HD3 LYS 38 HD3 LYS 38 -8.638 26.612 -9.226 261 HE2 LYS 38 HE2 LYS 38 -9.726 28.302 -8.117 262 HE3 LYS 38 HE3 LYS 38 -8.242 29.205 -7.815 263 HZ1 LYS 38 HZ1 LYS 38 -8.308 29.388 -10.429 264 HZ2 LYS 38 HZ2 LYS 38 -9.138 30.482 -9.441 265 HZ3 LYS 38 HZ3 LYS 38 -9.970 29.202 -10.171 266 H THR 39 H THR 39 -6.177 23.080 -8.608 267 HA THR 39 HA THR 39 -3.940 21.554 -7.559 268 HB THR 39 HB THR 39 -6.644 20.936 -6.405 269 HG1 THR 39 HG1 THR 39 -4.692 22.729 -5.354 270 HG21 THR 39 HG21 THR 39 -3.952 19.907 -6.180 271 HG22 THR 39 HG22 THR 39 -5.468 19.217 -5.601 272 HG23 THR 39 HG23 THR 39 -4.589 20.375 -4.604 273 H GLU 40 H GLU 40 -3.776 19.544 -8.450 274 HA GLU 40 HA GLU 40 -5.752 18.891 -10.513 275 HB2 GLU 40 HB2 GLU 40 -3.955 17.314 -11.323 276 HB3 GLU 40 HB3 GLU 40 -3.555 19.023 -11.409 277 HG2 GLU 40 HG2 GLU 40 -1.845 18.815 -9.996 278 HG3 GLU 40 HG3 GLU 40 -2.750 17.769 -8.904 279 H VAL 41 H VAL 41 -7.292 17.534 -9.884 280 HA VAL 41 HA VAL 41 -6.611 15.395 -7.981 281 HB VAL 41 HB VAL 41 -9.379 16.365 -8.691 282 HG11 VAL 41 HG11 VAL 41 -9.903 15.266 -6.482 283 HG12 VAL 41 HG12 VAL 41 -9.461 14.172 -7.793 284 HG13 VAL 41 HG13 VAL 41 -8.286 14.568 -6.538 285 HG21 VAL 41 HG21 VAL 41 -8.725 18.241 -7.616 286 HG22 VAL 41 HG22 VAL 41 -9.009 17.258 -6.180 287 HG23 VAL 41 HG23 VAL 41 -7.373 17.441 -6.814 288 H CYS 42 H CYS 42 -6.357 13.441 -8.813 289 HA CYS 42 HA CYS 42 -7.872 12.734 -11.242 290 HB2 CYS 42 HB2 CYS 42 -5.145 11.718 -10.408 291 HB3 CYS 42 HB3 CYS 42 -6.017 11.264 -11.869 292 H SER 43 H SER 43 -8.712 10.639 -11.397 293 HA SER 43 HA SER 43 -8.453 8.841 -9.131 294 HB2 SER 43 HB2 SER 43 -10.983 8.672 -8.948 295 HB3 SER 43 HB3 SER 43 -10.267 10.153 -8.311 296 HG SER 43 HG SER 43 -10.826 11.161 -10.304 297 H CYS 44 H CYS 44 -9.273 6.720 -9.548 298 HA CYS 44 HA CYS 44 -8.903 5.889 -12.240 299 HB2 CYS 44 HB2 CYS 44 -8.570 4.619 -9.937 300 HB3 CYS 44 HB3 CYS 44 -10.223 4.101 -10.247 301 H GLN 45 H GLN 45 -10.325 5.681 -13.841 302 HA GLN 45 HA GLN 45 -13.168 5.381 -13.221 303 HB2 GLN 45 HB2 GLN 45 -12.000 7.521 -15.002 304 HB3 GLN 45 HB3 GLN 45 -13.700 7.073 -15.009 305 HG2 GLN 45 HG2 GLN 45 -12.605 7.704 -12.364 306 HG3 GLN 45 HG3 GLN 45 -12.629 9.048 -13.504 307 HE21 GLN 45 HE21 GLN 45 -14.321 7.628 -11.128 308 HE22 GLN 45 HE22 GLN 45 -15.926 8.090 -11.571 309 H GLN 46 H GLN 46 -14.426 4.984 -15.332 310 HA GLN 46 HA GLN 46 -12.949 2.954 -16.825 311 HB2 GLN 46 HB2 GLN 46 -15.865 3.405 -17.236 312 HB3 GLN 46 HB3 GLN 46 -14.954 1.900 -17.219 313 HG2 GLN 46 HG2 GLN 46 -14.677 2.268 -14.725 314 HG3 GLN 46 HG3 GLN 46 -15.900 3.526 -14.883 315 HE21 GLN 46 HE21 GLN 46 -18.015 2.947 -15.436 316 HE22 GLN 46 HE22 GLN 46 -18.593 1.331 -15.247 317 HA PRO 47 HA PRO 47 -12.597 5.407 -20.457 318 HB2 PRO 47 HB2 PRO 47 -12.449 3.434 -22.316 319 HB3 PRO 47 HB3 PRO 47 -11.122 3.816 -21.212 320 HG2 PRO 47 HG2 PRO 47 -13.171 1.641 -21.029 321 HG3 PRO 47 HG3 PRO 47 -11.428 1.564 -20.715 322 HD2 PRO 47 HD2 PRO 47 -13.260 1.750 -18.729 323 HD3 PRO 47 HD3 PRO 47 -11.641 2.469 -18.606 324 H LYS 48 H LYS 48 -13.870 6.294 -22.025 325 HA LYS 48 HA LYS 48 -16.639 5.897 -21.952 326 HB2 LYS 48 HB2 LYS 48 -14.807 7.644 -23.267 327 HB3 LYS 48 HB3 LYS 48 -15.936 7.030 -24.467 328 HG2 LYS 48 HG2 LYS 48 -17.789 7.924 -23.347 329 HG3 LYS 48 HG3 LYS 48 -16.871 8.183 -21.862 330 HD2 LYS 48 HD2 LYS 48 -16.956 10.320 -22.717 331 HD3 LYS 48 HD3 LYS 48 -15.423 9.746 -23.380 332 HE2 LYS 48 HE2 LYS 48 -17.709 9.108 -25.070 333 HE3 LYS 48 HE3 LYS 48 -17.508 10.841 -24.814 334 HZ1 LYS 48 HZ1 LYS 48 -14.983 9.954 -25.314 335 HZ2 LYS 48 HZ2 LYS 48 -15.997 10.729 -26.424 336 HZ3 LYS 48 HZ3 LYS 48 -15.928 9.040 -26.379 337 H SER 49 H SER 49 -14.188 4.202 -23.634 338 HA SER 49 HA SER 49 -15.709 3.260 -25.833 339 HB2 SER 49 HB2 SER 49 -13.529 2.835 -26.308 340 HB3 SER 49 HB3 SER 49 -13.094 2.649 -24.609 341 HG SER 49 HG SER 49 -14.468 0.724 -26.181 342 H HIS 50 H HIS 50 -14.704 1.583 -22.847 343 HA HIS 50 HA HIS 50 -16.388 -0.651 -23.266 344 HB2 HIS 50 HB2 HIS 50 -15.154 -1.459 -21.589 345 HB3 HIS 50 HB3 HIS 50 -14.411 0.127 -21.395 346 HD1 HIS 50 HD1 HIS 50 -16.745 -2.226 -19.790 347 HD2 HIS 50 HD2 HIS 50 -15.645 1.760 -19.383 348 HE1 HIS 50 HE1 HIS 50 -17.625 -1.512 -17.545 349 H LYS 51 H LYS 51 -16.808 2.398 -21.576 350 HA LYS 51 HA LYS 51 -19.173 1.758 -20.188 351 HB2 LYS 51 HB2 LYS 51 -17.751 4.245 -20.956 352 HB3 LYS 51 HB3 LYS 51 -19.456 4.408 -20.557 353 HG2 LYS 51 HG2 LYS 51 -19.142 3.795 -18.363 354 HG3 LYS 51 HG3 LYS 51 -17.657 2.908 -18.712 355 HD2 LYS 51 HD2 LYS 51 -17.151 4.955 -17.507 356 HD3 LYS 51 HD3 LYS 51 -16.508 5.040 -19.149 357 HE2 LYS 51 HE2 LYS 51 -18.020 6.631 -19.804 358 HE3 LYS 51 HE3 LYS 51 -19.238 6.108 -18.642 359 HZ1 LYS 51 HZ1 LYS 51 -18.556 7.658 -17.241 360 HZ2 LYS 51 HZ2 LYS 51 -17.457 8.223 -18.396 361 HZ3 LYS 51 HZ3 LYS 51 -16.973 7.062 -17.265 362 H ILE 52 H ILE 52 -18.836 3.748 -23.133 363 HA ILE 52 HA ILE 52 -21.542 3.864 -23.767 364 HB ILE 52 HB ILE 52 -19.189 3.912 -25.661 365 HG12 ILE 52 HG12 ILE 52 -20.734 6.290 -24.659 366 HG13 ILE 52 HG13 ILE 52 -19.394 5.629 -23.727 367 HG21 ILE 52 HG21 ILE 52 -20.776 3.777 -27.234 368 HG22 ILE 52 HG22 ILE 52 -22.073 4.118 -26.090 369 HG23 ILE 52 HG23 ILE 52 -21.145 5.443 -26.791 370 HD11 ILE 52 HD11 ILE 52 -17.954 6.745 -24.973 371 HD12 ILE 52 HD12 ILE 52 -18.565 5.962 -26.430 372 HD13 ILE 52 HD13 ILE 52 -19.301 7.459 -25.858 373 H ALA 53 H ALA 53 -19.073 1.633 -25.045 374 HA ALA 53 HA ALA 53 -20.676 0.130 -26.721 375 HB1 ALA 53 HB1 ALA 53 -18.375 -0.873 -25.049 376 HB2 ALA 53 HB2 ALA 53 -19.028 -1.645 -26.495 377 HB3 ALA 53 HB3 ALA 53 -18.236 -0.073 -26.615 378 H GLU 54 H GLU 54 -20.089 -0.309 -23.248 379 HA GLU 54 HA GLU 54 -21.618 -2.668 -22.975 380 HB2 GLU 54 HB2 GLU 54 -20.594 -0.593 -21.075 381 HB3 GLU 54 HB3 GLU 54 -21.738 -1.800 -20.505 382 HG2 GLU 54 HG2 GLU 54 -19.326 -2.700 -21.993 383 HG3 GLU 54 HG3 GLU 54 -19.155 -2.180 -20.317 384 H LYS 55 H LYS 55 -22.435 0.741 -22.849 385 HA LYS 55 HA LYS 55 -25.070 0.375 -21.820 386 HB2 LYS 55 HB2 LYS 55 -24.376 2.531 -21.452 387 HB3 LYS 55 HB3 LYS 55 -23.509 2.628 -22.980 388 HG2 LYS 55 HG2 LYS 55 -26.462 2.445 -23.104 389 HG3 LYS 55 HG3 LYS 55 -25.760 3.956 -22.522 390 HD2 LYS 55 HD2 LYS 55 -24.846 4.468 -24.544 391 HD3 LYS 55 HD3 LYS 55 -24.593 2.776 -24.979 392 HE2 LYS 55 HE2 LYS 55 -26.334 3.086 -26.356 393 HE3 LYS 55 HE3 LYS 55 -27.310 2.919 -24.897 394 HZ1 LYS 55 HZ1 LYS 55 -27.948 5.026 -25.039 395 HZ2 LYS 55 HZ2 LYS 55 -27.250 5.079 -26.579 396 HZ3 LYS 55 HZ3 LYS 55 -26.362 5.586 -25.231 397 H ILE 56 H ILE 56 -23.655 0.484 -25.025 398 HA ILE 56 HA ILE 56 -26.125 0.684 -26.438 399 HB ILE 56 HB ILE 56 -23.402 -0.245 -27.355 400 HG12 ILE 56 HG12 ILE 56 -24.846 2.359 -27.885 401 HG13 ILE 56 HG13 ILE 56 -23.649 2.145 -26.611 402 HG21 ILE 56 HG21 ILE 56 -25.018 -1.229 -28.810 403 HG22 ILE 56 HG22 ILE 56 -25.919 0.282 -28.921 404 HG23 ILE 56 HG23 ILE 56 -24.317 0.156 -29.647 405 HD11 ILE 56 HD11 ILE 56 -21.988 1.540 -28.335 406 HD12 ILE 56 HD12 ILE 56 -23.196 1.893 -29.573 407 HD13 ILE 56 HD13 ILE 56 -22.620 3.177 -28.511 408 H ILE 57 H ILE 57 -23.936 -2.018 -25.694 409 HA ILE 57 HA ILE 57 -25.523 -3.996 -26.965 410 HB ILE 57 HB ILE 57 -23.472 -4.323 -24.770 411 HG12 ILE 57 HG12 ILE 57 -22.572 -3.254 -26.797 412 HG13 ILE 57 HG13 ILE 57 -21.924 -4.876 -26.585 413 HG21 ILE 57 HG21 ILE 57 -24.202 -6.427 -24.696 414 HG22 ILE 57 HG22 ILE 57 -25.214 -6.208 -26.122 415 HG23 ILE 57 HG23 ILE 57 -23.509 -6.619 -26.305 416 HD11 ILE 57 HD11 ILE 57 -23.378 -3.764 -28.791 417 HD12 ILE 57 HD12 ILE 57 -22.520 -5.299 -28.670 418 HD13 ILE 57 HD13 ILE 57 -24.205 -5.189 -28.160 419 H ASP 58 H ASP 58 -25.291 -2.847 -23.627 420 HA ASP 58 HA ASP 58 -27.045 -4.764 -22.509 421 HB2 ASP 58 HB2 ASP 58 -26.143 -2.034 -21.603 422 HB3 ASP 58 HB3 ASP 58 -27.262 -3.012 -20.657 423 H LYS 59 H LYS 59 -27.578 -1.379 -23.484 424 HA LYS 59 HA LYS 59 -30.330 -1.320 -22.928 425 HB2 LYS 59 HB2 LYS 59 -28.818 0.657 -23.369 426 HB3 LYS 59 HB3 LYS 59 -28.930 0.270 -25.081 427 HG2 LYS 59 HG2 LYS 59 -30.776 1.478 -25.206 428 HG3 LYS 59 HG3 LYS 59 -31.567 0.360 -24.092 429 HD2 LYS 59 HD2 LYS 59 -31.809 2.310 -22.923 430 HD3 LYS 59 HD3 LYS 59 -30.248 1.778 -22.294 431 HE2 LYS 59 HE2 LYS 59 -29.081 3.366 -23.470 432 HE3 LYS 59 HE3 LYS 59 -30.301 3.478 -24.738 433 HZ1 LYS 59 HZ1 LYS 59 -31.745 4.479 -22.879 434 HZ2 LYS 59 HZ2 LYS 59 -30.553 5.448 -23.587 435 HZ3 LYS 59 HZ3 LYS 59 -30.281 4.740 -22.075 436 H ALA 60 H ALA 60 -28.549 -2.198 -25.850 437 HA ALA 60 HA ALA 60 -30.773 -2.459 -27.560 438 HB1 ALA 60 HB1 ALA 60 -29.226 -3.930 -28.903 439 HB2 ALA 60 HB2 ALA 60 -28.628 -2.309 -28.549 440 HB3 ALA 60 HB3 ALA 60 -28.029 -3.690 -27.630 441 H LYS 61 H LYS 61 -28.848 -5.069 -26.066 442 HA LYS 61 HA LYS 61 -30.533 -7.173 -26.679 443 HB2 LYS 61 HB2 LYS 61 -28.176 -7.118 -25.547 444 HB3 LYS 61 HB3 LYS 61 -29.097 -7.108 -24.048 445 HG2 LYS 61 HG2 LYS 61 -28.577 -9.358 -24.465 446 HG3 LYS 61 HG3 LYS 61 -30.274 -9.174 -24.913 447 HD2 LYS 61 HD2 LYS 61 -29.862 -9.750 -27.029 448 HD3 LYS 61 HD3 LYS 61 -28.506 -8.624 -27.143 449 HE2 LYS 61 HE2 LYS 61 -27.383 -10.518 -25.614 450 HE3 LYS 61 HE3 LYS 61 -28.538 -11.512 -26.500 451 HZ1 LYS 61 HZ1 LYS 61 -26.432 -9.775 -27.663 452 HZ2 LYS 61 HZ2 LYS 61 -27.614 -10.573 -28.572 453 HZ3 LYS 61 HZ3 LYS 61 -26.482 -11.466 -27.688 454 H THR 62 H THR 62 -30.433 -5.355 -23.612 455 HA THR 62 HA THR 62 -32.030 -4.929 -22.044 456 HB THR 62 HB THR 62 -34.201 -5.818 -23.908 457 HG1 THR 62 HG1 THR 62 -33.655 -4.352 -25.323 458 HG21 THR 62 HG21 THR 62 -35.141 -5.026 -21.954 459 HG22 THR 62 HG22 THR 62 -35.098 -3.557 -22.929 460 HG23 THR 62 HG23 THR 62 -33.865 -3.836 -21.699 461 H THR 63 H THR 63 -31.033 -7.763 -22.769 462 HA THR 63 HA THR 63 -33.162 -9.407 -21.660 463 HB THR 63 HB THR 63 -30.387 -10.187 -22.578 464 HG1 THR 63 HG1 THR 63 -32.180 -9.412 -24.113 465 HG21 THR 63 HG21 THR 63 -32.579 -11.671 -21.282 466 HG22 THR 63 HG22 THR 63 -30.850 -12.017 -21.337 467 HG23 THR 63 HG23 THR 63 -31.879 -12.444 -22.705 468 H LEU 64 H LEU 64 -30.153 -7.949 -20.700 469 HA LEU 64 HA LEU 64 -29.971 -9.502 -18.257 470 HB2 LEU 64 HB2 LEU 64 -28.322 -7.358 -19.532 471 HB3 LEU 64 HB3 LEU 64 -28.090 -7.758 -17.831 472 HG LEU 64 HG LEU 64 -27.975 -9.942 -19.864 473 HD11 LEU 64 HD11 LEU 64 -25.905 -7.823 -19.415 474 HD12 LEU 64 HD12 LEU 64 -26.510 -8.481 -20.933 475 HD13 LEU 64 HD13 LEU 64 -25.457 -9.455 -19.908 476 HD21 LEU 64 HD21 LEU 64 -27.915 -10.464 -17.472 477 HD22 LEU 64 HD22 LEU 64 -26.507 -9.419 -17.280 478 HD23 LEU 64 HD23 LEU 64 -26.395 -10.879 -18.266 Start of MODEL 16 1 H1 ALA 1 H ALA 1 -7.109 -8.516 -1.568 2 HA ALA 1 HA ALA 1 -4.749 -7.764 -0.153 3 HB1 ALA 1 HB1 ALA 1 -5.102 -9.936 0.313 4 HB2 ALA 1 HB2 ALA 1 -5.901 -10.246 -1.229 5 HB3 ALA 1 HB3 ALA 1 -4.140 -10.205 -1.141 6 H LYS 2 H LYS 2 -5.327 -6.486 -2.809 7 HA LYS 2 HA LYS 2 -2.862 -7.253 -4.224 8 HB2 LYS 2 HB2 LYS 2 -5.334 -5.844 -5.245 9 HB3 LYS 2 HB3 LYS 2 -3.879 -6.114 -6.196 10 HG2 LYS 2 HG2 LYS 2 -4.373 -8.630 -5.401 11 HG3 LYS 2 HG3 LYS 2 -6.017 -7.989 -5.423 12 HD2 LYS 2 HD2 LYS 2 -6.052 -8.280 -7.627 13 HD3 LYS 2 HD3 LYS 2 -4.778 -7.065 -7.772 14 HE2 LYS 2 HE2 LYS 2 -3.168 -8.999 -7.243 15 HE3 LYS 2 HE3 LYS 2 -4.529 -10.052 -7.624 16 HZ1 LYS 2 HZ1 LYS 2 -3.768 -9.888 -9.704 17 HZ2 LYS 2 HZ2 LYS 2 -2.857 -8.499 -9.386 18 HZ3 LYS 2 HZ3 LYS 2 -4.511 -8.368 -9.719 19 H ALA 3 H ALA 3 -4.692 -4.570 -2.888 20 HA ALA 3 HA ALA 3 -4.086 -2.463 -2.276 21 HB1 ALA 3 HB1 ALA 3 -2.158 -3.767 -1.278 22 HB2 ALA 3 HB2 ALA 3 -1.222 -3.276 -2.691 23 HB3 ALA 3 HB3 ALA 3 -1.866 -2.056 -1.593 24 H CYS 4 H CYS 4 -4.661 -3.029 -5.025 25 HA CYS 4 HA CYS 4 -2.816 -1.323 -6.518 26 HB2 CYS 4 HB2 CYS 4 -3.779 -2.181 -8.491 27 HB3 CYS 4 HB3 CYS 4 -3.702 -3.559 -7.398 28 H THR 5 H THR 5 -4.312 -0.116 -8.362 29 HA THR 5 HA THR 5 -6.050 1.661 -6.785 30 HB THR 5 HB THR 5 -4.610 2.314 -9.362 31 HG1 THR 5 HG1 THR 5 -2.966 2.894 -8.158 32 HG21 THR 5 HG21 THR 5 -5.391 4.482 -9.151 33 HG22 THR 5 HG22 THR 5 -5.709 4.311 -7.425 34 HG23 THR 5 HG23 THR 5 -6.781 3.548 -8.598 35 HA PRO 6 HA PRO 6 -8.906 -0.483 -9.709 36 HB2 PRO 6 HB2 PRO 6 -10.961 -0.621 -7.939 37 HB3 PRO 6 HB3 PRO 6 -9.673 -1.830 -8.013 38 HG2 PRO 6 HG2 PRO 6 -9.993 0.485 -6.142 39 HG3 PRO 6 HG3 PRO 6 -9.491 -1.179 -5.788 40 HD2 PRO 6 HD2 PRO 6 -7.723 0.858 -6.021 41 HD3 PRO 6 HD3 PRO 6 -7.327 -0.808 -6.488 42 H LEU 7 H LEU 7 -11.519 0.149 -9.666 43 HA LEU 7 HA LEU 7 -11.606 2.722 -10.792 44 HB2 LEU 7 HB2 LEU 7 -13.169 0.718 -11.147 45 HB3 LEU 7 HB3 LEU 7 -14.011 1.292 -9.710 46 HG LEU 7 HG LEU 7 -14.446 3.436 -10.862 47 HD11 LEU 7 HD11 LEU 7 -12.566 3.440 -12.395 48 HD12 LEU 7 HD12 LEU 7 -14.084 3.574 -13.282 49 HD13 LEU 7 HD13 LEU 7 -13.222 2.036 -13.236 50 HD21 LEU 7 HD21 LEU 7 -15.530 1.540 -12.807 51 HD22 LEU 7 HD22 LEU 7 -16.361 2.617 -11.684 52 HD23 LEU 7 HD23 LEU 7 -15.757 1.055 -11.126 53 H LEU 8 H LEU 8 -12.192 4.687 -10.014 54 HA LEU 8 HA LEU 8 -12.679 6.347 -8.536 55 HB2 LEU 8 HB2 LEU 8 -13.809 4.293 -6.665 56 HB3 LEU 8 HB3 LEU 8 -14.265 5.986 -6.846 57 HG LEU 8 HG LEU 8 -14.787 3.880 -8.940 58 HD11 LEU 8 HD11 LEU 8 -16.792 4.993 -6.997 59 HD12 LEU 8 HD12 LEU 8 -15.934 3.477 -6.723 60 HD13 LEU 8 HD13 LEU 8 -16.988 3.653 -8.127 61 HD21 LEU 8 HD21 LEU 8 -16.542 5.669 -9.546 62 HD22 LEU 8 HD22 LEU 8 -14.860 5.952 -9.993 63 HD23 LEU 8 HD23 LEU 8 -15.545 6.756 -8.580 64 H HIS 9 H HIS 9 -10.154 5.727 -8.462 65 HA HIS 9 HA HIS 9 -9.459 5.940 -5.638 66 HB2 HIS 9 HB2 HIS 9 -8.673 3.709 -7.431 67 HB3 HIS 9 HB3 HIS 9 -7.415 4.363 -6.387 68 HD1 HIS 9 HD1 HIS 9 -7.311 3.368 -4.126 69 HD2 HIS 9 HD2 HIS 9 -11.070 2.925 -5.839 70 HE1 HIS 9 HE1 HIS 9 -8.634 1.983 -2.495 71 H ASP 10 H ASP 10 -7.084 6.518 -5.394 72 HA ASP 10 HA ASP 10 -6.524 8.711 -7.175 73 HB2 ASP 10 HB2 ASP 10 -4.601 9.124 -5.654 74 HB3 ASP 10 HB3 ASP 10 -6.140 9.018 -4.803 75 H CYS 11 H CYS 11 -5.358 8.583 -8.965 76 HA CYS 11 HA CYS 11 -3.315 6.470 -9.170 77 HB2 CYS 11 HB2 CYS 11 -3.825 6.281 -11.559 78 HB3 CYS 11 HB3 CYS 11 -5.251 5.938 -10.585 79 H SER 12 H SER 12 -3.578 9.591 -8.688 80 HA SER 12 HA SER 12 -2.197 10.902 -10.727 81 HB2 SER 12 HB2 SER 12 -3.337 12.106 -8.924 82 HB3 SER 12 HB3 SER 12 -2.172 11.485 -7.755 83 HG SER 12 HG SER 12 -1.093 13.219 -8.240 84 H HIS 13 H HIS 13 -1.061 8.831 -8.173 85 HA HIS 13 HA HIS 13 1.708 9.570 -8.464 86 HB2 HIS 13 HB2 HIS 13 0.173 7.603 -6.837 87 HB3 HIS 13 HB3 HIS 13 1.882 7.279 -7.107 88 HD1 HIS 13 HD1 HIS 13 3.351 9.699 -6.621 89 HD2 HIS 13 HD2 HIS 13 -0.160 8.946 -4.530 90 HE1 HIS 13 HE1 HIS 13 3.476 11.134 -4.558 91 H ASP 14 H ASP 14 -0.462 7.416 -10.011 92 HA ASP 14 HA ASP 14 1.543 6.607 -11.889 93 HB2 ASP 14 HB2 ASP 14 0.592 4.706 -9.789 94 HB3 ASP 14 HB3 ASP 14 0.885 4.091 -11.413 95 H ARG 15 H ARG 15 0.485 6.860 -13.734 96 HA ARG 15 HA ARG 15 -2.389 6.521 -13.859 97 HB2 ARG 15 HB2 ARG 15 -0.440 7.275 -16.045 98 HB3 ARG 15 HB3 ARG 15 -2.192 7.401 -16.126 99 HG2 ARG 15 HG2 ARG 15 -2.256 9.286 -14.874 100 HG3 ARG 15 HG3 ARG 15 -0.854 8.823 -13.907 101 HD2 ARG 15 HD2 ARG 15 -0.785 9.798 -16.761 102 HD3 ARG 15 HD3 ARG 15 -0.379 10.757 -15.338 103 HE ARG 15 HE ARG 15 1.271 8.603 -15.168 104 HH11 ARG 15 HH11 ARG 15 0.613 10.977 -17.628 105 HH12 ARG 15 HH12 ARG 15 2.212 10.920 -18.295 106 HH21 ARG 15 HH21 ARG 15 3.380 8.520 -16.037 107 HH22 ARG 15 HH22 ARG 15 3.784 9.521 -17.389 108 H HIS 16 H HIS 16 0.201 4.487 -14.119 109 HA HIS 16 HA HIS 16 -1.263 2.677 -15.927 110 HB2 HIS 16 HB2 HIS 16 1.644 3.312 -15.721 111 HB3 HIS 16 HB3 HIS 16 1.185 1.663 -16.137 112 HD1 HIS 16 HD1 HIS 16 1.959 1.753 -18.552 113 HD2 HIS 16 HD2 HIS 16 -0.740 4.760 -17.587 114 HE1 HIS 16 HE1 HIS 16 1.313 2.805 -20.743 115 H SER 17 H SER 17 -1.137 3.114 -12.890 116 HA SER 17 HA SER 17 -0.237 0.448 -12.069 117 HB2 SER 17 HB2 SER 17 -0.702 3.030 -10.628 118 HB3 SER 17 HB3 SER 17 -0.825 1.519 -9.727 119 HG SER 17 HG SER 17 1.266 1.293 -9.834 120 H CYS 18 H CYS 18 -3.062 2.289 -12.682 121 HA CYS 18 HA CYS 18 -4.958 1.189 -11.007 122 HB2 CYS 18 HB2 CYS 18 -5.015 2.334 -13.751 123 HB3 CYS 18 HB3 CYS 18 -6.435 1.440 -13.222 124 H CYS 19 H CYS 19 -6.208 -0.640 -10.989 125 HA CYS 19 HA CYS 19 -5.088 -2.985 -12.147 126 HB2 CYS 19 HB2 CYS 19 -7.395 -2.349 -10.387 127 HB3 CYS 19 HB3 CYS 19 -7.470 -3.866 -11.277 128 H ARG 20 H ARG 20 -6.748 -4.600 -13.206 129 HA ARG 20 HA ARG 20 -7.514 -3.386 -15.703 130 HB2 ARG 20 HB2 ARG 20 -6.637 -5.892 -14.967 131 HB3 ARG 20 HB3 ARG 20 -8.348 -6.158 -15.272 132 HG2 ARG 20 HG2 ARG 20 -8.042 -5.072 -17.499 133 HG3 ARG 20 HG3 ARG 20 -6.306 -5.051 -17.180 134 HD2 ARG 20 HD2 ARG 20 -6.528 -7.007 -18.375 135 HD3 ARG 20 HD3 ARG 20 -6.647 -7.594 -16.716 136 HE ARG 20 HE ARG 20 -9.220 -6.992 -17.673 137 HH11 ARG 20 HH11 ARG 20 -6.651 -9.297 -18.128 138 HH12 ARG 20 HH12 ARG 20 -7.710 -10.578 -18.615 139 HH21 ARG 20 HH21 ARG 20 -10.625 -8.671 -18.314 140 HH22 ARG 20 HH22 ARG 20 -9.971 -10.221 -18.722 141 H GLY 21 H GLY 21 -9.696 -4.351 -16.656 142 HA2 GLY 21 HA2 GLY 21 -11.797 -3.777 -14.655 143 HA3 GLY 21 HA3 GLY 21 -11.883 -3.230 -16.323 144 H ASP 22 H ASP 22 -14.039 -4.418 -15.844 145 HA ASP 22 HA ASP 22 -14.012 -7.267 -15.873 146 HB2 ASP 22 HB2 ASP 22 -15.909 -5.919 -15.003 147 HB3 ASP 22 HB3 ASP 22 -16.255 -5.391 -16.647 148 H MET 23 H MET 23 -14.146 -4.775 -18.338 149 HA MET 23 HA MET 23 -14.078 -6.886 -20.392 150 HB2 MET 23 HB2 MET 23 -15.189 -4.085 -20.648 151 HB3 MET 23 HB3 MET 23 -15.121 -5.280 -21.936 152 HG2 MET 23 HG2 MET 23 -16.459 -6.264 -19.550 153 HG3 MET 23 HG3 MET 23 -17.232 -4.839 -20.242 154 HE1 MET 23 HE1 MET 23 -18.192 -7.601 -19.677 155 HE2 MET 23 HE2 MET 23 -19.476 -7.335 -20.857 156 HE3 MET 23 HE3 MET 23 -18.401 -8.725 -21.021 157 H PHE 24 H PHE 24 -12.866 -3.730 -19.393 158 HA PHE 24 HA PHE 24 -10.417 -4.239 -20.891 159 HB2 PHE 24 HB2 PHE 24 -11.823 -1.579 -21.139 160 HB3 PHE 24 HB3 PHE 24 -10.405 -2.135 -22.021 161 HD1 PHE 24 HD1 PHE 24 -14.046 -2.470 -21.668 162 HD2 PHE 24 HD2 PHE 24 -10.610 -3.518 -23.951 163 HE1 PHE 24 HE1 PHE 24 -15.501 -3.290 -23.475 164 HE2 PHE 24 HE2 PHE 24 -12.059 -4.339 -25.763 165 HZ PHE 24 HZ PHE 24 -14.508 -4.224 -25.526 166 H LYS 25 H LYS 25 -8.601 -3.104 -20.115 167 HA LYS 25 HA LYS 25 -8.425 -2.753 -17.380 168 HB2 LYS 25 HB2 LYS 25 -6.579 -2.928 -19.225 169 HB3 LYS 25 HB3 LYS 25 -6.661 -1.171 -19.217 170 HG2 LYS 25 HG2 LYS 25 -6.473 -1.770 -16.549 171 HG3 LYS 25 HG3 LYS 25 -5.455 -3.000 -17.299 172 HD2 LYS 25 HD2 LYS 25 -4.781 -0.676 -18.641 173 HD3 LYS 25 HD3 LYS 25 -4.995 -0.150 -16.970 174 HE2 LYS 25 HE2 LYS 25 -3.504 -2.068 -16.298 175 HE3 LYS 25 HE3 LYS 25 -3.155 -2.295 -18.012 176 HZ1 LYS 25 HZ1 LYS 25 -2.143 -0.327 -16.190 177 HZ2 LYS 25 HZ2 LYS 25 -2.731 0.358 -17.620 178 HZ3 LYS 25 HZ3 LYS 25 -1.530 -0.831 -17.684 179 H TYR 26 H TYR 26 -8.127 -0.860 -16.074 180 HA TYR 26 HA TYR 26 -10.043 1.193 -16.685 181 HB2 TYR 26 HB2 TYR 26 -8.189 0.764 -14.341 182 HB3 TYR 26 HB3 TYR 26 -9.307 2.118 -14.453 183 HD1 TYR 26 HD1 TYR 26 -11.685 0.796 -15.615 184 HD2 TYR 26 HD2 TYR 26 -9.014 -0.518 -12.575 185 HE1 TYR 26 HE1 TYR 26 -13.471 -0.598 -14.656 186 HE2 TYR 26 HE2 TYR 26 -10.792 -1.916 -11.609 187 HH TYR 26 HH TYR 26 -13.996 -2.118 -13.123 188 H VAL 27 H VAL 27 -9.542 3.502 -16.529 189 HA VAL 27 HA VAL 27 -6.848 4.123 -17.558 190 HB VAL 27 HB VAL 27 -8.281 4.431 -19.404 191 HG11 VAL 27 HG11 VAL 27 -10.338 5.905 -19.199 192 HG12 VAL 27 HG12 VAL 27 -10.436 4.306 -18.458 193 HG13 VAL 27 HG13 VAL 27 -10.164 5.730 -17.453 194 HG21 VAL 27 HG21 VAL 27 -7.973 6.687 -19.931 195 HG22 VAL 27 HG22 VAL 27 -8.206 7.205 -18.261 196 HG23 VAL 27 HG23 VAL 27 -6.729 6.359 -18.724 197 H CYS 28 H CYS 28 -5.923 6.099 -16.937 198 HA CYS 28 HA CYS 28 -6.976 7.145 -14.417 199 HB2 CYS 28 HB2 CYS 28 -4.603 6.358 -14.568 200 HB3 CYS 28 HB3 CYS 28 -4.289 7.669 -15.700 201 H ASP 29 H ASP 29 -8.347 8.787 -14.658 202 HA ASP 29 HA ASP 29 -7.843 10.775 -16.758 203 HB2 ASP 29 HB2 ASP 29 -10.276 9.814 -15.341 204 HB3 ASP 29 HB3 ASP 29 -10.247 11.504 -15.837 205 H CYS 30 H CYS 30 -7.500 12.902 -16.311 206 HA CYS 30 HA CYS 30 -7.372 13.662 -13.467 207 HB2 CYS 30 HB2 CYS 30 -5.507 14.594 -15.658 208 HB3 CYS 30 HB3 CYS 30 -5.413 15.021 -13.952 209 H PHE 31 H PHE 31 -8.511 15.402 -12.915 210 HA PHE 31 HA PHE 31 -9.076 17.471 -14.890 211 HB2 PHE 31 HB2 PHE 31 -11.193 15.861 -13.464 212 HB3 PHE 31 HB3 PHE 31 -11.517 17.447 -14.158 213 HD1 PHE 31 HD2 PHE 31 -11.119 17.770 -16.639 214 HD2 PHE 31 HD1 PHE 31 -11.248 13.941 -14.784 215 HE1 PHE 31 HE2 PHE 31 -11.537 16.727 -18.828 216 HE2 PHE 31 HE1 PHE 31 -11.666 12.892 -16.970 217 HZ PHE 31 HZ PHE 31 -11.811 14.284 -18.995 218 H TYR 32 H TYR 32 -9.638 19.483 -13.989 219 HA TYR 32 HA TYR 32 -8.644 19.861 -11.299 220 HB2 TYR 32 HB2 TYR 32 -9.720 21.925 -13.229 221 HB3 TYR 32 HB3 TYR 32 -8.765 22.232 -11.783 222 HD1 TYR 32 HD1 TYR 32 -8.649 20.730 -15.167 223 HD2 TYR 32 HD2 TYR 32 -6.403 22.161 -11.849 224 HE1 TYR 32 HE1 TYR 32 -6.592 20.592 -16.508 225 HE2 TYR 32 HE2 TYR 32 -4.340 22.028 -13.180 226 HH TYR 32 HH TYR 32 -3.454 21.581 -15.165 227 HA PRO 33 HA PRO 33 -12.490 20.096 -9.193 228 HB2 PRO 33 HB2 PRO 33 -11.922 21.948 -7.292 229 HB3 PRO 33 HB3 PRO 33 -11.273 20.304 -7.256 230 HG2 PRO 33 HG2 PRO 33 -9.971 22.833 -8.188 231 HG3 PRO 33 HG3 PRO 33 -9.293 21.522 -7.207 232 HD2 PRO 33 HD2 PRO 33 -8.804 21.760 -9.859 233 HD3 PRO 33 HD3 PRO 33 -8.892 20.186 -9.042 234 H GLU 34 H GLU 34 -13.263 21.182 -11.312 235 HA GLU 34 HA GLU 34 -14.434 22.819 -12.385 236 HB2 GLU 34 HB2 GLU 34 -15.595 22.378 -9.963 237 HB3 GLU 34 HB3 GLU 34 -15.304 24.111 -9.880 238 HG2 GLU 34 HG2 GLU 34 -16.456 23.287 -12.417 239 HG3 GLU 34 HG3 GLU 34 -17.471 22.878 -11.035 240 H GLY 35 H GLY 35 -11.661 23.423 -11.652 241 HA2 GLY 35 HA2 GLY 35 -11.421 26.010 -12.564 242 HA3 GLY 35 HA3 GLY 35 -11.506 26.151 -10.815 243 H GLU 36 H GLU 36 -9.310 26.668 -12.782 244 HA GLU 36 HA GLU 36 -7.318 24.666 -12.160 245 HB2 GLU 36 HB2 GLU 36 -7.487 25.946 -14.358 246 HB3 GLU 36 HB3 GLU 36 -6.846 27.332 -13.488 247 HG2 GLU 36 HG2 GLU 36 -5.056 25.382 -12.834 248 HG3 GLU 36 HG3 GLU 36 -5.492 24.947 -14.486 249 H ASP 37 H ASP 37 -7.685 25.088 -9.788 250 HA ASP 37 HA ASP 37 -6.761 27.499 -8.611 251 HB2 ASP 37 HB2 ASP 37 -7.867 25.000 -7.719 252 HB3 ASP 37 HB3 ASP 37 -6.455 25.400 -6.744 253 H LYS 38 H LYS 38 -5.300 24.277 -8.218 254 HA LYS 38 HA LYS 38 -2.652 25.536 -8.513 255 HB2 LYS 38 HB2 LYS 38 -1.830 23.879 -6.819 256 HB3 LYS 38 HB3 LYS 38 -2.926 25.096 -6.178 257 HG2 LYS 38 HG2 LYS 38 -4.756 23.313 -6.587 258 HG3 LYS 38 HG3 LYS 38 -3.402 22.183 -6.646 259 HD2 LYS 38 HD2 LYS 38 -3.409 22.120 -4.424 260 HD3 LYS 38 HD3 LYS 38 -2.978 23.831 -4.401 261 HE2 LYS 38 HE2 LYS 38 -5.668 23.908 -4.908 262 HE3 LYS 38 HE3 LYS 38 -5.530 22.522 -3.827 263 HZ1 LYS 38 HZ1 LYS 38 -5.846 24.850 -2.826 264 HZ2 LYS 38 HZ2 LYS 38 -4.204 25.069 -3.164 265 HZ3 LYS 38 HZ3 LYS 38 -4.695 23.824 -2.129 266 H THR 39 H THR 39 -4.427 22.458 -8.603 267 HA THR 39 HA THR 39 -3.162 21.725 -11.077 268 HB THR 39 HB THR 39 -2.708 19.700 -8.933 269 HG1 THR 39 HG1 THR 39 -0.559 20.715 -8.693 270 HG21 THR 39 HG21 THR 39 -1.991 18.746 -10.853 271 HG22 THR 39 HG22 THR 39 -0.536 19.696 -10.553 272 HG23 THR 39 HG23 THR 39 -1.768 20.297 -11.661 273 H GLU 40 H GLU 40 -3.894 19.499 -11.785 274 HA GLU 40 HA GLU 40 -6.722 19.237 -11.138 275 HB2 GLU 40 HB2 GLU 40 -6.755 17.686 -13.093 276 HB3 GLU 40 HB3 GLU 40 -6.206 19.311 -13.481 277 HG2 GLU 40 HG2 GLU 40 -3.914 18.577 -13.519 278 HG3 GLU 40 HG3 GLU 40 -4.387 16.965 -12.986 279 H VAL 41 H VAL 41 -7.698 17.272 -10.536 280 HA VAL 41 HA VAL 41 -5.925 15.519 -9.009 281 HB VAL 41 HB VAL 41 -8.943 15.575 -9.000 282 HG11 VAL 41 HG11 VAL 41 -8.577 14.490 -6.753 283 HG12 VAL 41 HG12 VAL 41 -8.165 13.501 -8.155 284 HG13 VAL 41 HG13 VAL 41 -6.890 14.283 -7.219 285 HG21 VAL 41 HG21 VAL 41 -8.059 17.739 -8.304 286 HG22 VAL 41 HG22 VAL 41 -8.760 16.878 -6.934 287 HG23 VAL 41 HG23 VAL 41 -7.008 16.944 -7.133 288 H CYS 42 H CYS 42 -5.427 13.528 -9.650 289 HA CYS 42 HA CYS 42 -6.755 12.451 -12.023 290 HB2 CYS 42 HB2 CYS 42 -4.218 11.580 -10.621 291 HB3 CYS 42 HB3 CYS 42 -4.848 10.881 -12.109 292 H SER 43 H SER 43 -8.014 10.685 -11.996 293 HA SER 43 HA SER 43 -8.016 8.959 -9.631 294 HB2 SER 43 HB2 SER 43 -10.644 9.007 -9.977 295 HB3 SER 43 HB3 SER 43 -9.837 10.208 -8.969 296 HG SER 43 HG SER 43 -10.635 10.506 -11.676 297 H CYS 44 H CYS 44 -9.065 6.893 -9.985 298 HA CYS 44 HA CYS 44 -8.537 5.896 -12.636 299 HB2 CYS 44 HB2 CYS 44 -8.209 4.760 -10.255 300 HB3 CYS 44 HB3 CYS 44 -9.851 4.204 -10.562 301 H GLN 45 H GLN 45 -9.965 5.818 -14.231 302 HA GLN 45 HA GLN 45 -12.817 5.542 -13.569 303 HB2 GLN 45 HB2 GLN 45 -11.575 7.424 -15.577 304 HB3 GLN 45 HB3 GLN 45 -13.291 7.040 -15.540 305 HG2 GLN 45 HG2 GLN 45 -12.294 7.868 -12.947 306 HG3 GLN 45 HG3 GLN 45 -12.037 9.089 -14.192 307 HE21 GLN 45 HE21 GLN 45 -14.015 8.440 -11.830 308 HE22 GLN 45 HE22 GLN 45 -15.533 8.940 -12.488 309 H GLN 46 H GLN 46 -13.993 5.215 -15.887 310 HA GLN 46 HA GLN 46 -12.772 2.779 -16.935 311 HB2 GLN 46 HB2 GLN 46 -15.485 3.769 -17.734 312 HB3 GLN 46 HB3 GLN 46 -14.896 2.115 -17.616 313 HG2 GLN 46 HG2 GLN 46 -16.130 2.101 -15.744 314 HG3 GLN 46 HG3 GLN 46 -14.696 2.852 -15.046 315 HE21 GLN 46 HE21 GLN 46 -16.008 3.817 -13.456 316 HE22 GLN 46 HE22 GLN 46 -16.970 5.207 -13.811 317 HA PRO 47 HA PRO 47 -11.565 4.482 -20.795 318 HB2 PRO 47 HB2 PRO 47 -12.010 2.388 -22.464 319 HB3 PRO 47 HB3 PRO 47 -10.684 2.421 -21.296 320 HG2 PRO 47 HG2 PRO 47 -13.355 1.085 -21.093 321 HG3 PRO 47 HG3 PRO 47 -11.756 0.466 -20.637 322 HD2 PRO 47 HD2 PRO 47 -13.506 1.458 -18.824 323 HD3 PRO 47 HD3 PRO 47 -11.746 1.607 -18.635 324 H LYS 48 H LYS 48 -12.327 4.748 -23.116 325 HA LYS 48 HA LYS 48 -14.811 6.020 -23.173 326 HB2 LYS 48 HB2 LYS 48 -12.642 5.753 -24.900 327 HB3 LYS 48 HB3 LYS 48 -13.993 5.064 -25.792 328 HG2 LYS 48 HG2 LYS 48 -14.462 7.149 -26.401 329 HG3 LYS 48 HG3 LYS 48 -15.052 7.380 -24.753 330 HD2 LYS 48 HD2 LYS 48 -12.826 8.150 -24.071 331 HD3 LYS 48 HD3 LYS 48 -12.244 7.922 -25.721 332 HE2 LYS 48 HE2 LYS 48 -14.655 9.561 -25.543 333 HE3 LYS 48 HE3 LYS 48 -13.271 10.248 -24.693 334 HZ1 LYS 48 HZ1 LYS 48 -13.696 9.868 -27.537 335 HZ2 LYS 48 HZ2 LYS 48 -12.138 9.508 -26.985 336 HZ3 LYS 48 HZ3 LYS 48 -12.794 11.045 -26.724 337 H SER 49 H SER 49 -13.989 2.700 -23.561 338 HA SER 49 HA SER 49 -16.334 1.928 -25.009 339 HB2 SER 49 HB2 SER 49 -13.969 0.614 -23.903 340 HB3 SER 49 HB3 SER 49 -15.433 -0.354 -23.726 341 HG SER 49 HG SER 49 -14.064 -0.378 -25.805 342 H HIS 50 H HIS 50 -15.301 1.417 -21.633 343 HA HIS 50 HA HIS 50 -17.826 0.432 -20.788 344 HB2 HIS 50 HB2 HIS 50 -15.230 0.937 -19.604 345 HB3 HIS 50 HB3 HIS 50 -16.526 1.438 -18.523 346 HD1 HIS 50 HD1 HIS 50 -16.766 -0.391 -16.874 347 HD2 HIS 50 HD2 HIS 50 -16.328 -1.841 -20.743 348 HE1 HIS 50 HE1 HIS 50 -17.039 -2.884 -16.692 349 H LYS 51 H LYS 51 -16.414 3.610 -21.012 350 HA LYS 51 HA LYS 51 -18.296 4.930 -19.324 351 HB2 LYS 51 HB2 LYS 51 -16.335 6.142 -19.588 352 HB3 LYS 51 HB3 LYS 51 -16.238 5.809 -21.312 353 HG2 LYS 51 HG2 LYS 51 -18.567 7.392 -20.480 354 HG3 LYS 51 HG3 LYS 51 -17.000 8.171 -20.249 355 HD2 LYS 51 HD2 LYS 51 -16.873 6.996 -22.781 356 HD3 LYS 51 HD3 LYS 51 -18.483 7.713 -22.681 357 HE2 LYS 51 HE2 LYS 51 -16.903 9.316 -23.584 358 HE3 LYS 51 HE3 LYS 51 -17.472 9.847 -22.002 359 HZ1 LYS 51 HZ1 LYS 51 -14.987 9.997 -22.500 360 HZ2 LYS 51 HZ2 LYS 51 -14.961 8.320 -22.283 361 HZ3 LYS 51 HZ3 LYS 51 -15.451 9.329 -21.016 362 H ILE 52 H ILE 52 -17.924 4.836 -22.871 363 HA ILE 52 HA ILE 52 -20.301 6.216 -23.451 364 HB ILE 52 HB ILE 52 -18.718 4.249 -25.101 365 HG12 ILE 52 HG12 ILE 52 -18.956 7.264 -25.240 366 HG13 ILE 52 HG13 ILE 52 -17.610 6.388 -24.519 367 HG21 ILE 52 HG21 ILE 52 -20.949 4.176 -25.945 368 HG22 ILE 52 HG22 ILE 52 -21.091 5.931 -25.878 369 HG23 ILE 52 HG23 ILE 52 -19.995 5.180 -27.038 370 HD11 ILE 52 HD11 ILE 52 -18.050 7.114 -27.247 371 HD12 ILE 52 HD12 ILE 52 -16.622 6.403 -26.493 372 HD13 ILE 52 HD13 ILE 52 -17.905 5.362 -27.107 373 H ALA 53 H ALA 53 -19.616 2.747 -23.194 374 HA ALA 53 HA ALA 53 -22.147 1.816 -23.972 375 HB1 ALA 53 HB1 ALA 53 -21.497 -0.290 -23.117 376 HB2 ALA 53 HB2 ALA 53 -20.024 0.470 -23.724 377 HB3 ALA 53 HB3 ALA 53 -20.352 0.439 -21.991 378 H GLU 54 H GLU 54 -20.818 2.336 -20.703 379 HA GLU 54 HA GLU 54 -23.112 1.650 -19.273 380 HB2 GLU 54 HB2 GLU 54 -20.779 3.443 -18.666 381 HB3 GLU 54 HB3 GLU 54 -22.106 3.278 -17.525 382 HG2 GLU 54 HG2 GLU 54 -20.696 0.869 -18.595 383 HG3 GLU 54 HG3 GLU 54 -20.034 1.788 -17.245 384 H LYS 55 H LYS 55 -22.117 4.738 -20.666 385 HA LYS 55 HA LYS 55 -24.120 6.347 -19.546 386 HB2 LYS 55 HB2 LYS 55 -22.484 6.550 -22.061 387 HB3 LYS 55 HB3 LYS 55 -23.714 7.749 -21.682 388 HG2 LYS 55 HG2 LYS 55 -21.465 7.045 -19.815 389 HG3 LYS 55 HG3 LYS 55 -21.378 8.346 -21.005 390 HD2 LYS 55 HD2 LYS 55 -23.673 8.244 -19.095 391 HD3 LYS 55 HD3 LYS 55 -22.109 8.853 -18.547 392 HE2 LYS 55 HE2 LYS 55 -22.551 10.092 -21.006 393 HE3 LYS 55 HE3 LYS 55 -24.114 10.128 -20.192 394 HZ1 LYS 55 HZ1 LYS 55 -23.256 11.967 -19.260 395 HZ2 LYS 55 HZ2 LYS 55 -21.651 11.509 -19.530 396 HZ3 LYS 55 HZ3 LYS 55 -22.501 10.875 -18.211 397 H ILE 56 H ILE 56 -24.016 4.858 -22.788 398 HA ILE 56 HA ILE 56 -26.565 5.577 -23.615 399 HB ILE 56 HB ILE 56 -25.011 3.082 -24.302 400 HG12 ILE 56 HG12 ILE 56 -23.894 5.231 -24.842 401 HG13 ILE 56 HG13 ILE 56 -24.316 4.308 -26.281 402 HG21 ILE 56 HG21 ILE 56 -27.486 4.272 -25.530 403 HG22 ILE 56 HG22 ILE 56 -26.456 3.112 -26.366 404 HG23 ILE 56 HG23 ILE 56 -27.270 2.650 -24.872 405 HD11 ILE 56 HD11 ILE 56 -24.893 6.965 -25.778 406 HD12 ILE 56 HD12 ILE 56 -25.566 5.961 -27.062 407 HD13 ILE 56 HD13 ILE 56 -26.426 6.130 -25.532 408 H ILE 57 H ILE 57 -25.576 2.465 -22.173 409 HA ILE 57 HA ILE 57 -28.081 1.301 -21.989 410 HB ILE 57 HB ILE 57 -25.759 0.994 -20.082 411 HG12 ILE 57 HG12 ILE 57 -25.257 0.462 -22.452 412 HG13 ILE 57 HG13 ILE 57 -25.180 -0.956 -21.413 413 HG21 ILE 57 HG21 ILE 57 -26.951 -1.336 -19.852 414 HG22 ILE 57 HG22 ILE 57 -27.457 0.042 -18.876 415 HG23 ILE 57 HG23 ILE 57 -28.376 -0.406 -20.314 416 HD11 ILE 57 HD11 ILE 57 -27.404 -1.624 -22.175 417 HD12 ILE 57 HD12 ILE 57 -27.458 -0.212 -23.232 418 HD13 ILE 57 HD13 ILE 57 -26.263 -1.479 -23.512 419 H ASP 58 H ASP 58 -26.419 3.355 -19.615 420 HA ASP 58 HA ASP 58 -28.312 3.250 -17.579 421 HB2 ASP 58 HB2 ASP 58 -26.194 5.182 -18.383 422 HB3 ASP 58 HB3 ASP 58 -27.396 5.732 -17.219 423 H LYS 59 H LYS 59 -28.006 5.682 -20.169 424 HA LYS 59 HA LYS 59 -30.365 7.081 -19.501 425 HB2 LYS 59 HB2 LYS 59 -28.341 7.708 -21.065 426 HB3 LYS 59 HB3 LYS 59 -29.350 6.992 -22.315 427 HG2 LYS 59 HG2 LYS 59 -31.185 8.570 -21.394 428 HG3 LYS 59 HG3 LYS 59 -29.829 9.442 -20.675 429 HD2 LYS 59 HD2 LYS 59 -29.752 8.704 -23.571 430 HD3 LYS 59 HD3 LYS 59 -30.696 10.100 -23.048 431 HE2 LYS 59 HE2 LYS 59 -28.342 10.492 -21.729 432 HE3 LYS 59 HE3 LYS 59 -27.791 9.737 -23.223 433 HZ1 LYS 59 HZ1 LYS 59 -28.220 12.338 -22.986 434 HZ2 LYS 59 HZ2 LYS 59 -29.759 11.861 -23.500 435 HZ3 LYS 59 HZ3 LYS 59 -28.404 11.509 -24.450 436 H ALA 60 H ALA 60 -29.805 4.153 -21.234 437 HA ALA 60 HA ALA 60 -32.204 4.124 -22.763 438 HB1 ALA 60 HB1 ALA 60 -31.334 2.275 -23.645 439 HB2 ALA 60 HB2 ALA 60 -29.924 2.561 -22.624 440 HB3 ALA 60 HB3 ALA 60 -31.212 1.491 -22.069 441 H LYS 61 H LYS 61 -31.279 2.377 -19.791 442 HA LYS 61 HA LYS 61 -33.913 1.405 -19.317 443 HB2 LYS 61 HB2 LYS 61 -33.015 0.727 -17.110 444 HB3 LYS 61 HB3 LYS 61 -32.005 0.199 -18.448 445 HG2 LYS 61 HG2 LYS 61 -30.373 0.991 -17.107 446 HG3 LYS 61 HG3 LYS 61 -30.788 2.508 -17.909 447 HD2 LYS 61 HD2 LYS 61 -30.870 3.199 -15.734 448 HD3 LYS 61 HD3 LYS 61 -32.538 2.654 -15.926 449 HE2 LYS 61 HE2 LYS 61 -31.910 0.474 -14.969 450 HE3 LYS 61 HE3 LYS 61 -30.266 1.064 -14.737 451 HZ1 LYS 61 HZ1 LYS 61 -32.241 1.223 -12.909 452 HZ2 LYS 61 HZ2 LYS 61 -32.293 2.766 -13.599 453 HZ3 LYS 61 HZ3 LYS 61 -30.855 2.193 -12.918 454 H THR 62 H THR 62 -32.183 4.289 -18.438 455 HA THR 62 HA THR 62 -33.947 5.079 -16.326 456 HB THR 62 HB THR 62 -31.969 6.714 -17.929 457 HG1 THR 62 HG1 THR 62 -31.033 5.047 -16.640 458 HG21 THR 62 HG21 THR 62 -32.121 8.250 -15.925 459 HG22 THR 62 HG22 THR 62 -33.569 7.359 -15.457 460 HG23 THR 62 HG23 THR 62 -33.528 8.239 -16.985 461 H THR 63 H THR 63 -33.890 5.450 -19.780 462 HA THR 63 HA THR 63 -35.993 7.473 -19.725 463 HB THR 63 HB THR 63 -34.539 6.223 -22.064 464 HG1 THR 63 HG1 THR 63 -33.198 7.868 -21.880 465 HG21 THR 63 HG21 THR 63 -35.646 8.576 -22.940 466 HG22 THR 63 HG22 THR 63 -36.912 7.925 -21.900 467 HG23 THR 63 HG23 THR 63 -36.297 6.966 -23.246 468 H LEU 64 H LEU 64 -35.457 4.230 -21.099 469 HA LEU 64 HA LEU 64 -38.369 3.925 -21.350 470 HB2 LEU 64 HB2 LEU 64 -36.090 2.457 -22.659 471 HB3 LEU 64 HB3 LEU 64 -37.778 1.974 -22.807 472 HG LEU 64 HG LEU 64 -36.853 4.707 -23.642 473 HD11 LEU 64 HD11 LEU 64 -35.829 2.405 -24.746 474 HD12 LEU 64 HD12 LEU 64 -35.927 3.980 -25.534 475 HD13 LEU 64 HD13 LEU 64 -37.195 2.782 -25.796 476 HD21 LEU 64 HD21 LEU 64 -39.057 3.107 -24.866 477 HD22 LEU 64 HD22 LEU 64 -38.869 4.857 -24.746 478 HD23 LEU 64 HD23 LEU 64 -39.321 3.918 -23.322 Start of MODEL 17 1 H1 ALA 1 H ALA 1 3.605 -1.927 -0.289 2 HA ALA 1 HA ALA 1 1.675 -3.853 0.833 3 HB1 ALA 1 HB1 ALA 1 0.777 -1.944 1.652 4 HB2 ALA 1 HB2 ALA 1 1.503 -0.933 0.402 5 HB3 ALA 1 HB3 ALA 1 0.056 -1.876 0.044 6 H LYS 2 H LYS 2 0.706 -5.167 -0.565 7 HA LYS 2 HA LYS 2 0.957 -4.574 -3.435 8 HB2 LYS 2 HB2 LYS 2 0.737 -7.148 -1.894 9 HB3 LYS 2 HB3 LYS 2 0.383 -7.087 -3.616 10 HG2 LYS 2 HG2 LYS 2 2.538 -7.102 -4.145 11 HG3 LYS 2 HG3 LYS 2 2.900 -5.802 -3.006 12 HD2 LYS 2 HD2 LYS 2 3.541 -7.234 -1.373 13 HD3 LYS 2 HD3 LYS 2 2.348 -8.453 -1.826 14 HE2 LYS 2 HE2 LYS 2 4.423 -8.044 -3.840 15 HE3 LYS 2 HE3 LYS 2 5.052 -8.598 -2.289 16 HZ1 LYS 2 HZ1 LYS 2 4.514 -10.609 -3.067 17 HZ2 LYS 2 HZ2 LYS 2 3.450 -10.004 -4.235 18 HZ3 LYS 2 HZ3 LYS 2 2.928 -10.204 -2.638 19 H ALA 3 H ALA 3 -0.821 -3.605 -4.175 20 HA ALA 3 HA ALA 3 -3.364 -4.962 -3.931 21 HB1 ALA 3 HB1 ALA 3 -3.112 -3.387 -1.928 22 HB2 ALA 3 HB2 ALA 3 -3.305 -2.082 -3.099 23 HB3 ALA 3 HB3 ALA 3 -4.589 -3.271 -2.885 24 H CYS 4 H CYS 4 -5.041 -3.949 -5.308 25 HA CYS 4 HA CYS 4 -3.791 -2.799 -7.699 26 HB2 CYS 4 HB2 CYS 4 -6.085 -4.591 -7.202 27 HB3 CYS 4 HB3 CYS 4 -6.324 -3.400 -8.476 28 H THR 5 H THR 5 -5.042 -1.178 -8.920 29 HA THR 5 HA THR 5 -6.459 0.650 -7.090 30 HB THR 5 HB THR 5 -4.789 1.333 -9.519 31 HG1 THR 5 HG1 THR 5 -3.831 0.754 -7.322 32 HG21 THR 5 HG21 THR 5 -5.459 3.563 -7.836 33 HG22 THR 5 HG22 THR 5 -6.930 2.758 -8.383 34 HG23 THR 5 HG23 THR 5 -5.753 3.342 -9.560 35 HA PRO 6 HA PRO 6 -9.554 -0.643 -10.266 36 HB2 PRO 6 HB2 PRO 6 -11.631 -0.726 -8.519 37 HB3 PRO 6 HB3 PRO 6 -10.531 -2.087 -8.769 38 HG2 PRO 6 HG2 PRO 6 -10.539 -0.033 -6.591 39 HG3 PRO 6 HG3 PRO 6 -10.287 -1.784 -6.476 40 HD2 PRO 6 HD2 PRO 6 -8.240 -0.012 -6.435 41 HD3 PRO 6 HD3 PRO 6 -8.083 -1.637 -7.132 42 H LEU 7 H LEU 7 -12.008 0.352 -10.223 43 HA LEU 7 HA LEU 7 -11.720 3.034 -10.948 44 HB2 LEU 7 HB2 LEU 7 -13.523 1.837 -11.870 45 HB3 LEU 7 HB3 LEU 7 -14.115 1.350 -10.284 46 HG LEU 7 HG LEU 7 -14.709 3.756 -9.874 47 HD11 LEU 7 HD11 LEU 7 -13.945 5.297 -11.272 48 HD12 LEU 7 HD12 LEU 7 -14.985 4.626 -12.527 49 HD13 LEU 7 HD13 LEU 7 -13.324 4.059 -12.363 50 HD21 LEU 7 HD21 LEU 7 -16.105 1.765 -11.111 51 HD22 LEU 7 HD22 LEU 7 -16.256 3.088 -12.268 52 HD23 LEU 7 HD23 LEU 7 -16.782 3.312 -10.599 53 H LEU 8 H LEU 8 -12.465 4.961 -9.976 54 HA LEU 8 HA LEU 8 -12.683 6.458 -8.279 55 HB2 LEU 8 HB2 LEU 8 -14.121 4.075 -7.174 56 HB3 LEU 8 HB3 LEU 8 -13.920 5.535 -6.206 57 HG LEU 8 HG LEU 8 -15.358 5.345 -8.854 58 HD11 LEU 8 HD11 LEU 8 -17.245 6.117 -7.183 59 HD12 LEU 8 HD12 LEU 8 -16.234 5.270 -6.014 60 HD13 LEU 8 HD13 LEU 8 -16.865 4.410 -7.418 61 HD21 LEU 8 HD21 LEU 8 -16.093 7.677 -8.196 62 HD22 LEU 8 HD22 LEU 8 -14.422 7.508 -8.735 63 HD23 LEU 8 HD23 LEU 8 -14.783 7.653 -7.014 64 H HIS 9 H HIS 9 -10.209 5.818 -8.367 65 HA HIS 9 HA HIS 9 -9.397 5.548 -5.579 66 HB2 HIS 9 HB2 HIS 9 -8.753 3.622 -7.736 67 HB3 HIS 9 HB3 HIS 9 -7.417 4.092 -6.689 68 HD1 HIS 9 HD1 HIS 9 -7.180 2.721 -4.648 69 HD2 HIS 9 HD2 HIS 9 -11.072 2.668 -6.099 70 HE1 HIS 9 HE1 HIS 9 -8.431 1.127 -3.159 71 H ASP 10 H ASP 10 -7.004 6.046 -5.345 72 HA ASP 10 HA ASP 10 -6.470 8.501 -6.745 73 HB2 ASP 10 HB2 ASP 10 -4.714 7.038 -4.763 74 HB3 ASP 10 HB3 ASP 10 -4.573 8.726 -5.250 75 H CYS 11 H CYS 11 -5.482 8.620 -8.638 76 HA CYS 11 HA CYS 11 -3.408 6.628 -9.277 77 HB2 CYS 11 HB2 CYS 11 -4.144 6.534 -11.558 78 HB3 CYS 11 HB3 CYS 11 -5.548 6.249 -10.536 79 H SER 12 H SER 12 -3.943 9.751 -8.582 80 HA SER 12 HA SER 12 -2.680 11.238 -10.572 81 HB2 SER 12 HB2 SER 12 -3.918 12.219 -8.657 82 HB3 SER 12 HB3 SER 12 -2.596 11.747 -7.588 83 HG SER 12 HG SER 12 -1.965 13.254 -9.849 84 H HIS 13 H HIS 13 -1.364 9.169 -8.106 85 HA HIS 13 HA HIS 13 1.336 10.138 -8.388 86 HB2 HIS 13 HB2 HIS 13 0.097 7.812 -6.926 87 HB3 HIS 13 HB3 HIS 13 1.843 8.032 -7.011 88 HD1 HIS 13 HD1 HIS 13 0.222 8.151 -4.340 89 HD2 HIS 13 HD2 HIS 13 1.394 11.447 -6.581 90 HE1 HIS 13 HE1 HIS 13 0.272 10.078 -2.726 91 H ASP 14 H ASP 14 -0.672 7.872 -9.987 92 HA ASP 14 HA ASP 14 1.400 7.259 -11.877 93 HB2 ASP 14 HB2 ASP 14 0.537 5.251 -9.847 94 HB3 ASP 14 HB3 ASP 14 0.826 4.692 -11.493 95 H ARG 15 H ARG 15 0.430 7.350 -13.782 96 HA ARG 15 HA ARG 15 -2.429 7.156 -14.008 97 HB2 ARG 15 HB2 ARG 15 -0.378 7.404 -16.215 98 HB3 ARG 15 HB3 ARG 15 -2.099 7.742 -16.334 99 HG2 ARG 15 HG2 ARG 15 -1.921 9.683 -15.028 100 HG3 ARG 15 HG3 ARG 15 -0.313 9.242 -14.449 101 HD2 ARG 15 HD2 ARG 15 -0.925 9.802 -17.342 102 HD3 ARG 15 HD3 ARG 15 -0.402 11.050 -16.211 103 HE ARG 15 HE ARG 15 1.409 8.913 -16.101 104 HH11 ARG 15 HH11 ARG 15 0.378 11.430 -18.272 105 HH12 ARG 15 HH12 ARG 15 1.907 11.543 -19.077 106 HH21 ARG 15 HH21 ARG 15 3.429 9.052 -17.152 107 HH22 ARG 15 HH22 ARG 15 3.642 10.190 -18.440 108 H HIS 16 H HIS 16 0.208 4.999 -14.313 109 HA HIS 16 HA HIS 16 -1.457 3.057 -15.768 110 HB2 HIS 16 HB2 HIS 16 1.481 3.522 -15.608 111 HB3 HIS 16 HB3 HIS 16 0.925 1.864 -15.814 112 HD1 HIS 16 HD1 HIS 16 -1.036 1.784 -17.886 113 HD2 HIS 16 HD2 HIS 16 1.953 4.668 -17.996 114 HE1 HIS 16 HE1 HIS 16 -0.912 2.534 -20.284 115 H SER 17 H SER 17 -1.609 3.734 -12.886 116 HA SER 17 HA SER 17 -0.526 1.423 -11.523 117 HB2 SER 17 HB2 SER 17 -1.748 2.416 -9.539 118 HB3 SER 17 HB3 SER 17 -0.523 3.458 -10.264 119 HG SER 17 HG SER 17 -2.499 4.561 -9.846 120 H CYS 18 H CYS 18 -3.692 2.629 -12.528 121 HA CYS 18 HA CYS 18 -5.348 0.783 -11.315 122 HB2 CYS 18 HB2 CYS 18 -5.580 2.102 -14.023 123 HB3 CYS 18 HB3 CYS 18 -6.873 1.155 -13.293 124 H CYS 19 H CYS 19 -5.816 -1.316 -11.586 125 HA CYS 19 HA CYS 19 -4.164 -2.878 -13.357 126 HB2 CYS 19 HB2 CYS 19 -6.360 -3.689 -11.439 127 HB3 CYS 19 HB3 CYS 19 -5.333 -4.816 -12.321 128 H ARG 20 H ARG 20 -5.079 -4.545 -14.785 129 HA ARG 20 HA ARG 20 -7.093 -3.393 -16.492 130 HB2 ARG 20 HB2 ARG 20 -5.134 -4.507 -17.454 131 HB3 ARG 20 HB3 ARG 20 -5.606 -6.018 -16.688 132 HG2 ARG 20 HG2 ARG 20 -7.357 -6.367 -18.143 133 HG3 ARG 20 HG3 ARG 20 -7.494 -4.656 -18.552 134 HD2 ARG 20 HD2 ARG 20 -6.485 -5.398 -20.452 135 HD3 ARG 20 HD3 ARG 20 -5.048 -5.069 -19.485 136 HE ARG 20 HE ARG 20 -5.873 -7.721 -19.051 137 HH11 ARG 20 HH11 ARG 20 -4.460 -5.711 -21.516 138 HH12 ARG 20 HH12 ARG 20 -3.603 -7.014 -22.272 139 HH21 ARG 20 HH21 ARG 20 -4.750 -9.445 -20.035 140 HH22 ARG 20 HH22 ARG 20 -3.770 -9.137 -21.429 141 H GLY 21 H GLY 21 -9.045 -4.433 -17.142 142 HA2 GLY 21 HA2 GLY 21 -10.124 -6.228 -15.058 143 HA3 GLY 21 HA3 GLY 21 -11.082 -5.035 -15.924 144 H ASP 22 H ASP 22 -11.184 -8.065 -15.615 145 HA ASP 22 HA ASP 22 -10.590 -9.376 -17.977 146 HB2 ASP 22 HB2 ASP 22 -12.469 -9.797 -15.744 147 HB3 ASP 22 HB3 ASP 22 -12.918 -10.594 -17.249 148 H MET 23 H MET 23 -13.115 -7.093 -17.305 149 HA MET 23 HA MET 23 -14.377 -7.646 -19.898 150 HB2 MET 23 HB2 MET 23 -15.385 -5.825 -17.711 151 HB3 MET 23 HB3 MET 23 -16.278 -6.406 -19.111 152 HG2 MET 23 HG2 MET 23 -16.142 -8.691 -18.236 153 HG3 MET 23 HG3 MET 23 -15.282 -8.086 -16.822 154 HE1 MET 23 HE1 MET 23 -16.003 -6.800 -15.141 155 HE2 MET 23 HE2 MET 23 -17.183 -5.541 -15.504 156 HE3 MET 23 HE3 MET 23 -17.629 -6.894 -14.463 157 H PHE 24 H PHE 24 -13.223 -4.911 -17.929 158 HA PHE 24 HA PHE 24 -12.292 -3.594 -20.351 159 HB2 PHE 24 HB2 PHE 24 -14.070 -2.098 -18.424 160 HB3 PHE 24 HB3 PHE 24 -13.462 -1.544 -19.981 161 HD1 PHE 24 HD1 PHE 24 -15.847 -3.794 -18.317 162 HD2 PHE 24 HD2 PHE 24 -14.549 -2.133 -22.014 163 HE1 PHE 24 HE1 PHE 24 -17.893 -4.622 -19.404 164 HE2 PHE 24 HE2 PHE 24 -16.593 -2.957 -23.107 165 HZ PHE 24 HZ PHE 24 -18.269 -4.203 -21.801 166 H LYS 25 H LYS 25 -10.613 -2.154 -20.013 167 HA LYS 25 HA LYS 25 -9.311 -2.390 -17.420 168 HB2 LYS 25 HB2 LYS 25 -7.863 -2.814 -19.249 169 HB3 LYS 25 HB3 LYS 25 -8.412 -1.385 -20.114 170 HG2 LYS 25 HG2 LYS 25 -7.026 -0.006 -18.992 171 HG3 LYS 25 HG3 LYS 25 -7.182 -0.903 -17.479 172 HD2 LYS 25 HD2 LYS 25 -5.189 -1.810 -17.867 173 HD3 LYS 25 HD3 LYS 25 -5.870 -2.616 -19.283 174 HE2 LYS 25 HE2 LYS 25 -4.962 -1.127 -20.734 175 HE3 LYS 25 HE3 LYS 25 -5.109 0.223 -19.610 176 HZ1 LYS 25 HZ1 LYS 25 -2.802 -0.322 -19.972 177 HZ2 LYS 25 HZ2 LYS 25 -3.063 -1.927 -19.505 178 HZ3 LYS 25 HZ3 LYS 25 -3.220 -0.680 -18.371 179 H TYR 26 H TYR 26 -8.810 -0.695 -16.079 180 HA TYR 26 HA TYR 26 -10.387 1.721 -16.474 181 HB2 TYR 26 HB2 TYR 26 -8.731 0.911 -14.077 182 HB3 TYR 26 HB3 TYR 26 -9.935 2.193 -14.142 183 HD1 TYR 26 HD1 TYR 26 -12.267 1.122 -15.284 184 HD2 TYR 26 HD2 TYR 26 -9.439 -0.871 -12.808 185 HE1 TYR 26 HE1 TYR 26 -14.007 -0.472 -14.590 186 HE2 TYR 26 HE2 TYR 26 -11.171 -2.471 -12.107 187 HH TYR 26 HH TYR 26 -14.353 -2.498 -13.586 188 H VAL 27 H VAL 27 -9.571 3.726 -16.793 189 HA VAL 27 HA VAL 27 -6.640 3.956 -17.016 190 HB VAL 27 HB VAL 27 -7.259 5.896 -18.626 191 HG11 VAL 27 HG11 VAL 27 -7.873 3.206 -19.771 192 HG12 VAL 27 HG12 VAL 27 -6.868 4.503 -20.422 193 HG13 VAL 27 HG13 VAL 27 -6.281 3.519 -19.080 194 HG21 VAL 27 HG21 VAL 27 -9.354 6.075 -19.439 195 HG22 VAL 27 HG22 VAL 27 -9.630 4.332 -19.404 196 HG23 VAL 27 HG23 VAL 27 -9.798 5.282 -17.928 197 H CYS 28 H CYS 28 -5.672 5.926 -16.398 198 HA CYS 28 HA CYS 28 -6.960 7.198 -14.170 199 HB2 CYS 28 HB2 CYS 28 -4.508 6.682 -14.269 200 HB3 CYS 28 HB3 CYS 28 -4.343 7.938 -15.491 201 H ASP 29 H ASP 29 -8.132 8.997 -14.179 202 HA ASP 29 HA ASP 29 -7.972 10.756 -16.540 203 HB2 ASP 29 HB2 ASP 29 -10.310 9.658 -15.061 204 HB3 ASP 29 HB3 ASP 29 -10.435 11.311 -15.657 205 H CYS 30 H CYS 30 -7.448 12.810 -16.169 206 HA CYS 30 HA CYS 30 -7.445 13.754 -13.384 207 HB2 CYS 30 HB2 CYS 30 -5.809 14.657 -15.761 208 HB3 CYS 30 HB3 CYS 30 -5.755 15.410 -14.172 209 H PHE 31 H PHE 31 -8.410 15.661 -12.824 210 HA PHE 31 HA PHE 31 -9.593 17.331 -14.900 211 HB2 PHE 31 HB2 PHE 31 -11.169 15.844 -12.806 212 HB3 PHE 31 HB3 PHE 31 -11.784 17.311 -13.560 213 HD1 PHE 31 HD2 PHE 31 -12.146 17.350 -16.033 214 HD2 PHE 31 HD1 PHE 31 -11.271 13.769 -13.904 215 HE1 PHE 31 HE2 PHE 31 -13.000 16.022 -17.921 216 HE2 PHE 31 HE1 PHE 31 -12.123 12.436 -15.789 217 HZ PHE 31 HZ PHE 31 -12.987 13.562 -17.801 218 H TYR 32 H TYR 32 -10.862 19.199 -13.708 219 HA TYR 32 HA TYR 32 -9.423 20.005 -11.284 220 HB2 TYR 32 HB2 TYR 32 -9.856 22.079 -13.382 221 HB3 TYR 32 HB3 TYR 32 -8.607 21.978 -12.146 222 HD1 TYR 32 HD1 TYR 32 -9.640 20.806 -15.479 223 HD2 TYR 32 HD2 TYR 32 -6.546 20.815 -12.558 224 HE1 TYR 32 HE1 TYR 32 -8.069 19.922 -17.150 225 HE2 TYR 32 HE2 TYR 32 -4.965 19.932 -14.223 226 HH TYR 32 HH TYR 32 -4.653 19.376 -16.353 227 HA PRO 33 HA PRO 33 -13.349 21.397 -9.897 228 HB2 PRO 33 HB2 PRO 33 -12.610 23.406 -8.227 229 HB3 PRO 33 HB3 PRO 33 -12.371 21.698 -7.840 230 HG2 PRO 33 HG2 PRO 33 -10.410 23.687 -8.917 231 HG3 PRO 33 HG3 PRO 33 -10.184 22.466 -7.652 232 HD2 PRO 33 HD2 PRO 33 -9.324 22.108 -10.194 233 HD3 PRO 33 HD3 PRO 33 -9.878 20.764 -9.176 234 H GLU 34 H GLU 34 -11.452 23.180 -11.966 235 HA GLU 34 HA GLU 34 -12.006 24.810 -13.473 236 HB2 GLU 34 HB2 GLU 34 -14.627 25.212 -12.047 237 HB3 GLU 34 HB3 GLU 34 -14.235 25.556 -13.726 238 HG2 GLU 34 HG2 GLU 34 -13.778 22.906 -13.669 239 HG3 GLU 34 HG3 GLU 34 -15.038 23.034 -12.443 240 H GLY 35 H GLY 35 -10.631 25.279 -10.988 241 HA2 GLY 35 HA2 GLY 35 -10.762 28.151 -10.973 242 HA3 GLY 35 HA3 GLY 35 -11.353 27.435 -9.481 243 H GLU 36 H GLU 36 -9.518 25.198 -9.525 244 HA GLU 36 HA GLU 36 -7.110 26.638 -8.662 245 HB2 GLU 36 HB2 GLU 36 -8.455 24.128 -7.813 246 HB3 GLU 36 HB3 GLU 36 -6.701 24.168 -7.707 247 HG2 GLU 36 HG2 GLU 36 -6.824 26.164 -6.309 248 HG3 GLU 36 HG3 GLU 36 -8.584 26.131 -6.419 249 H ASP 37 H ASP 37 -6.379 26.850 -10.879 250 HA ASP 37 HA ASP 37 -5.817 24.598 -12.507 251 HB2 ASP 37 HB2 ASP 37 -4.404 27.262 -12.639 252 HB3 ASP 37 HB3 ASP 37 -4.668 26.111 -13.947 253 H LYS 38 H LYS 38 -4.380 25.702 -9.687 254 HA LYS 38 HA LYS 38 -1.747 24.607 -10.356 255 HB2 LYS 38 HB2 LYS 38 -2.708 26.174 -7.958 256 HB3 LYS 38 HB3 LYS 38 -1.074 25.550 -8.141 257 HG2 LYS 38 HG2 LYS 38 -0.478 27.160 -9.592 258 HG3 LYS 38 HG3 LYS 38 -2.059 27.188 -10.377 259 HD2 LYS 38 HD2 LYS 38 -1.603 29.293 -9.216 260 HD3 LYS 38 HD3 LYS 38 -2.978 28.449 -8.500 261 HE2 LYS 38 HE2 LYS 38 -1.647 27.692 -6.668 262 HE3 LYS 38 HE3 LYS 38 -0.166 28.264 -7.434 263 HZ1 LYS 38 HZ1 LYS 38 -1.863 30.446 -7.257 264 HZ2 LYS 38 HZ2 LYS 38 -0.450 30.168 -6.370 265 HZ3 LYS 38 HZ3 LYS 38 -1.946 29.672 -5.755 266 H THR 39 H THR 39 -4.330 23.094 -9.790 267 HA THR 39 HA THR 39 -3.107 21.021 -8.213 268 HB THR 39 HB THR 39 -5.754 21.872 -7.129 269 HG1 THR 39 HG1 THR 39 -4.489 23.157 -5.563 270 HG21 THR 39 HG21 THR 39 -3.291 20.615 -5.912 271 HG22 THR 39 HG22 THR 39 -4.762 19.772 -6.394 272 HG23 THR 39 HG23 THR 39 -4.803 20.928 -5.062 273 H GLU 40 H GLU 40 -3.449 19.468 -9.694 274 HA GLU 40 HA GLU 40 -6.111 19.203 -10.889 275 HB2 GLU 40 HB2 GLU 40 -5.008 17.612 -12.444 276 HB3 GLU 40 HB3 GLU 40 -4.304 19.223 -12.487 277 HG2 GLU 40 HG2 GLU 40 -2.307 18.491 -11.831 278 HG3 GLU 40 HG3 GLU 40 -2.995 17.460 -10.579 279 H VAL 41 H VAL 41 -7.424 17.506 -10.497 280 HA VAL 41 HA VAL 41 -6.502 15.545 -8.508 281 HB VAL 41 HB VAL 41 -9.365 16.162 -9.234 282 HG11 VAL 41 HG11 VAL 41 -8.385 15.009 -6.651 283 HG12 VAL 41 HG12 VAL 41 -9.979 14.883 -7.399 284 HG13 VAL 41 HG13 VAL 41 -8.619 13.976 -8.062 285 HG21 VAL 41 HG21 VAL 41 -9.346 17.425 -7.034 286 HG22 VAL 41 HG22 VAL 41 -7.586 17.396 -7.145 287 HG23 VAL 41 HG23 VAL 41 -8.535 18.205 -8.391 288 H CYS 42 H CYS 42 -5.971 13.630 -9.307 289 HA CYS 42 HA CYS 42 -7.353 12.667 -11.720 290 HB2 CYS 42 HB2 CYS 42 -4.713 11.705 -10.606 291 HB3 CYS 42 HB3 CYS 42 -5.416 11.297 -12.167 292 H SER 43 H SER 43 -8.314 10.675 -11.756 293 HA SER 43 HA SER 43 -8.089 8.917 -9.450 294 HB2 SER 43 HB2 SER 43 -10.552 8.812 -9.145 295 HB3 SER 43 HB3 SER 43 -9.895 10.407 -8.773 296 HG SER 43 HG SER 43 -11.833 9.880 -10.419 297 H CYS 44 H CYS 44 -9.051 6.814 -9.811 298 HA CYS 44 HA CYS 44 -8.604 5.871 -12.452 299 HB2 CYS 44 HB2 CYS 44 -8.472 4.669 -10.086 300 HB3 CYS 44 HB3 CYS 44 -10.128 4.223 -10.485 301 H GLN 45 H GLN 45 -9.943 5.911 -14.121 302 HA GLN 45 HA GLN 45 -12.813 5.583 -13.686 303 HB2 GLN 45 HB2 GLN 45 -11.511 7.938 -15.023 304 HB3 GLN 45 HB3 GLN 45 -13.145 7.447 -15.443 305 HG2 GLN 45 HG2 GLN 45 -12.848 7.618 -12.591 306 HG3 GLN 45 HG3 GLN 45 -12.352 9.124 -13.362 307 HE21 GLN 45 HE21 GLN 45 -14.739 8.270 -11.724 308 HE22 GLN 45 HE22 GLN 45 -16.099 8.800 -12.648 309 H GLN 46 H GLN 46 -13.966 5.347 -15.853 310 HA GLN 46 HA GLN 46 -12.468 3.423 -17.424 311 HB2 GLN 46 HB2 GLN 46 -14.676 3.041 -18.544 312 HB3 GLN 46 HB3 GLN 46 -14.682 2.759 -16.809 313 HG2 GLN 46 HG2 GLN 46 -15.433 5.470 -17.690 314 HG3 GLN 46 HG3 GLN 46 -16.557 4.173 -18.090 315 HE21 GLN 46 HE21 GLN 46 -15.668 6.383 -15.784 316 HE22 GLN 46 HE22 GLN 46 -16.475 5.696 -14.419 317 HA PRO 47 HA PRO 47 -11.493 6.120 -20.756 318 HB2 PRO 47 HB2 PRO 47 -11.322 4.308 -22.770 319 HB3 PRO 47 HB3 PRO 47 -10.097 4.457 -21.504 320 HG2 PRO 47 HG2 PRO 47 -12.346 2.495 -21.742 321 HG3 PRO 47 HG3 PRO 47 -10.663 2.215 -21.258 322 HD2 PRO 47 HD2 PRO 47 -12.681 2.417 -19.464 323 HD3 PRO 47 HD3 PRO 47 -11.027 2.953 -19.105 324 H LYS 48 H LYS 48 -12.478 7.241 -22.391 325 HA LYS 48 HA LYS 48 -15.241 7.250 -22.613 326 HB2 LYS 48 HB2 LYS 48 -13.131 8.768 -23.623 327 HB3 LYS 48 HB3 LYS 48 -13.966 8.175 -25.054 328 HG2 LYS 48 HG2 LYS 48 -15.477 9.767 -24.804 329 HG3 LYS 48 HG3 LYS 48 -15.950 9.059 -23.258 330 HD2 LYS 48 HD2 LYS 48 -15.377 11.170 -22.577 331 HD3 LYS 48 HD3 LYS 48 -13.822 10.354 -22.398 332 HE2 LYS 48 HE2 LYS 48 -14.569 11.736 -24.952 333 HE3 LYS 48 HE3 LYS 48 -13.889 12.634 -23.597 334 HZ1 LYS 48 HZ1 LYS 48 -12.076 10.826 -23.677 335 HZ2 LYS 48 HZ2 LYS 48 -12.036 12.073 -24.819 336 HZ3 LYS 48 HZ3 LYS 48 -12.630 10.549 -25.251 337 H SER 49 H SER 49 -12.866 5.389 -24.362 338 HA SER 49 HA SER 49 -14.470 4.591 -26.537 339 HB2 SER 49 HB2 SER 49 -11.846 4.132 -25.686 340 HB3 SER 49 HB3 SER 49 -12.593 2.535 -25.713 341 HG SER 49 HG SER 49 -13.303 3.083 -27.882 342 H HIS 50 H HIS 50 -13.651 2.816 -23.552 343 HA HIS 50 HA HIS 50 -15.424 0.680 -24.006 344 HB2 HIS 50 HB2 HIS 50 -14.181 1.759 -21.476 345 HB3 HIS 50 HB3 HIS 50 -15.174 0.305 -21.507 346 HD1 HIS 50 HD1 HIS 50 -12.177 0.261 -20.682 347 HD2 HIS 50 HD2 HIS 50 -13.604 -0.591 -24.490 348 HE1 HIS 50 HE1 HIS 50 -10.408 -1.165 -21.759 349 H LYS 51 H LYS 51 -15.865 3.838 -22.590 350 HA LYS 51 HA LYS 51 -18.311 3.366 -21.268 351 HB2 LYS 51 HB2 LYS 51 -16.632 5.624 -21.884 352 HB3 LYS 51 HB3 LYS 51 -18.318 6.033 -22.173 353 HG2 LYS 51 HG2 LYS 51 -18.852 5.964 -19.985 354 HG3 LYS 51 HG3 LYS 51 -17.746 4.631 -19.644 355 HD2 LYS 51 HD2 LYS 51 -16.933 6.573 -18.508 356 HD3 LYS 51 HD3 LYS 51 -15.854 6.250 -19.866 357 HE2 LYS 51 HE2 LYS 51 -16.450 8.139 -20.959 358 HE3 LYS 51 HE3 LYS 51 -18.124 8.057 -20.410 359 HZ1 LYS 51 HZ1 LYS 51 -16.203 8.601 -18.324 360 HZ2 LYS 51 HZ2 LYS 51 -17.688 9.342 -18.648 361 HZ3 LYS 51 HZ3 LYS 51 -16.305 9.811 -19.502 362 H ILE 52 H ILE 52 -17.721 4.969 -24.403 363 HA ILE 52 HA ILE 52 -20.408 5.113 -25.177 364 HB ILE 52 HB ILE 52 -17.976 4.929 -26.959 365 HG12 ILE 52 HG12 ILE 52 -19.442 7.419 -26.094 366 HG13 ILE 52 HG13 ILE 52 -18.061 6.785 -25.205 367 HG21 ILE 52 HG21 ILE 52 -19.409 4.918 -28.654 368 HG22 ILE 52 HG22 ILE 52 -20.778 5.037 -27.550 369 HG23 ILE 52 HG23 ILE 52 -19.984 6.501 -28.130 370 HD11 ILE 52 HD11 ILE 52 -16.853 6.891 -27.484 371 HD12 ILE 52 HD12 ILE 52 -18.160 7.988 -27.932 372 HD13 ILE 52 HD13 ILE 52 -17.110 8.377 -26.570 373 H ALA 53 H ALA 53 -17.938 2.661 -25.870 374 HA ALA 53 HA ALA 53 -19.396 1.047 -27.598 375 HB1 ALA 53 HB1 ALA 53 -17.611 -0.263 -25.616 376 HB2 ALA 53 HB2 ALA 53 -17.727 -0.492 -27.361 377 HB3 ALA 53 HB3 ALA 53 -16.910 0.930 -26.711 378 H GLU 54 H GLU 54 -19.101 0.764 -24.056 379 HA GLU 54 HA GLU 54 -20.843 -1.404 -23.749 380 HB2 GLU 54 HB2 GLU 54 -19.730 0.692 -21.971 381 HB3 GLU 54 HB3 GLU 54 -21.161 -0.149 -21.394 382 HG2 GLU 54 HG2 GLU 54 -19.162 -1.965 -22.453 383 HG3 GLU 54 HG3 GLU 54 -18.551 -0.982 -21.124 384 H LYS 55 H LYS 55 -21.467 2.085 -23.573 385 HA LYS 55 HA LYS 55 -24.157 1.999 -22.878 386 HB2 LYS 55 HB2 LYS 55 -22.633 3.981 -24.571 387 HB3 LYS 55 HB3 LYS 55 -24.295 4.233 -24.053 388 HG2 LYS 55 HG2 LYS 55 -22.115 3.687 -22.072 389 HG3 LYS 55 HG3 LYS 55 -22.419 5.313 -22.689 390 HD2 LYS 55 HD2 LYS 55 -24.932 4.350 -21.994 391 HD3 LYS 55 HD3 LYS 55 -23.871 3.783 -20.703 392 HE2 LYS 55 HE2 LYS 55 -23.502 6.583 -21.562 393 HE3 LYS 55 HE3 LYS 55 -25.017 6.218 -20.737 394 HZ1 LYS 55 HZ1 LYS 55 -22.777 6.837 -19.462 395 HZ2 LYS 55 HZ2 LYS 55 -22.605 5.155 -19.512 396 HZ3 LYS 55 HZ3 LYS 55 -23.972 5.844 -18.793 397 H ILE 56 H ILE 56 -22.713 2.110 -26.131 398 HA ILE 56 HA ILE 56 -25.091 2.039 -27.591 399 HB ILE 56 HB ILE 56 -22.408 0.882 -28.354 400 HG12 ILE 56 HG12 ILE 56 -23.488 3.501 -29.326 401 HG13 ILE 56 HG13 ILE 56 -22.742 3.416 -27.734 402 HG21 ILE 56 HG21 ILE 56 -24.974 1.096 -29.773 403 HG22 ILE 56 HG22 ILE 56 -23.561 1.638 -30.678 404 HG23 ILE 56 HG23 ILE 56 -23.618 -0.002 -30.033 405 HD11 ILE 56 HD11 ILE 56 -21.327 2.374 -30.152 406 HD12 ILE 56 HD12 ILE 56 -21.293 4.087 -29.734 407 HD13 ILE 56 HD13 ILE 56 -20.657 2.890 -28.606 408 H ILE 57 H ILE 57 -22.936 -0.678 -26.754 409 HA ILE 57 HA ILE 57 -24.426 -2.743 -27.821 410 HB ILE 57 HB ILE 57 -22.800 -2.808 -25.276 411 HG12 ILE 57 HG12 ILE 57 -21.889 -3.768 -27.971 412 HG13 ILE 57 HG13 ILE 57 -21.754 -2.065 -27.546 413 HG21 ILE 57 HG21 ILE 57 -22.579 -5.284 -26.260 414 HG22 ILE 57 HG22 ILE 57 -23.829 -4.816 -25.109 415 HG23 ILE 57 HG23 ILE 57 -24.201 -4.894 -26.830 416 HD11 ILE 57 HD11 ILE 57 -20.707 -3.850 -25.499 417 HD12 ILE 57 HD12 ILE 57 -19.881 -3.986 -27.052 418 HD13 ILE 57 HD13 ILE 57 -19.987 -2.423 -26.243 419 H ASP 58 H ASP 58 -24.594 -1.460 -24.501 420 HA ASP 58 HA ASP 58 -26.641 -3.121 -23.581 421 HB2 ASP 58 HB2 ASP 58 -25.809 -0.335 -22.777 422 HB3 ASP 58 HB3 ASP 58 -27.074 -1.225 -21.935 423 H LYS 59 H LYS 59 -26.822 0.100 -25.066 424 HA LYS 59 HA LYS 59 -29.603 0.410 -24.910 425 HB2 LYS 59 HB2 LYS 59 -27.383 1.747 -26.194 426 HB3 LYS 59 HB3 LYS 59 -28.777 1.696 -27.264 427 HG2 LYS 59 HG2 LYS 59 -29.060 3.684 -26.117 428 HG3 LYS 59 HG3 LYS 59 -30.099 2.564 -25.233 429 HD2 LYS 59 HD2 LYS 59 -28.650 2.446 -23.427 430 HD3 LYS 59 HD3 LYS 59 -27.260 2.970 -24.379 431 HE2 LYS 59 HE2 LYS 59 -27.594 5.051 -23.686 432 HE3 LYS 59 HE3 LYS 59 -29.169 5.049 -24.476 433 HZ1 LYS 59 HZ1 LYS 59 -28.502 4.569 -21.660 434 HZ2 LYS 59 HZ2 LYS 59 -29.864 3.804 -22.309 435 HZ3 LYS 59 HZ3 LYS 59 -29.754 5.492 -22.328 436 H ALA 60 H ALA 60 -27.584 -1.308 -27.190 437 HA ALA 60 HA ALA 60 -29.584 -1.681 -29.183 438 HB1 ALA 60 HB1 ALA 60 -27.851 -2.429 -30.347 439 HB2 ALA 60 HB2 ALA 60 -26.840 -2.236 -28.914 440 HB3 ALA 60 HB3 ALA 60 -27.637 -3.778 -29.230 441 H LYS 61 H LYS 61 -28.135 -4.007 -26.891 442 HA LYS 61 HA LYS 61 -29.885 -6.107 -27.337 443 HB2 LYS 61 HB2 LYS 61 -28.606 -5.377 -24.696 444 HB3 LYS 61 HB3 LYS 61 -29.198 -6.965 -25.163 445 HG2 LYS 61 HG2 LYS 61 -27.496 -7.146 -26.863 446 HG3 LYS 61 HG3 LYS 61 -26.944 -5.503 -26.526 447 HD2 LYS 61 HD2 LYS 61 -25.428 -6.673 -25.282 448 HD3 LYS 61 HD3 LYS 61 -26.701 -6.479 -24.076 449 HE2 LYS 61 HE2 LYS 61 -26.598 -8.700 -23.849 450 HE3 LYS 61 HE3 LYS 61 -27.454 -8.769 -25.388 451 HZ1 LYS 61 HZ1 LYS 61 -25.327 -10.114 -25.166 452 HZ2 LYS 61 HZ2 LYS 61 -24.504 -8.640 -25.266 453 HZ3 LYS 61 HZ3 LYS 61 -25.484 -9.150 -26.547 454 H THR 62 H THR 62 -30.100 -3.614 -24.797 455 HA THR 62 HA THR 62 -31.874 -2.763 -23.650 456 HB THR 62 HB THR 62 -33.812 -4.036 -25.548 457 HG1 THR 62 HG1 THR 62 -33.363 -2.136 -26.916 458 HG21 THR 62 HG21 THR 62 -33.652 -1.361 -24.158 459 HG22 THR 62 HG22 THR 62 -34.734 -2.697 -23.765 460 HG23 THR 62 HG23 THR 62 -34.923 -1.827 -25.287 461 H THR 63 H THR 63 -30.969 -5.716 -23.498 462 HA THR 63 HA THR 63 -33.330 -6.991 -22.385 463 HB THR 63 HB THR 63 -30.617 -8.207 -22.126 464 HG1 THR 63 HG1 THR 63 -30.816 -8.935 -24.323 465 HG21 THR 63 HG21 THR 63 -33.274 -9.047 -21.792 466 HG22 THR 63 HG22 THR 63 -31.820 -10.043 -21.732 467 HG23 THR 63 HG23 THR 63 -32.695 -9.851 -23.251 468 H LEU 64 H LEU 64 -30.569 -5.227 -21.302 469 HA LEU 64 HA LEU 64 -31.334 -5.784 -18.513 470 HB2 LEU 64 HB2 LEU 64 -28.548 -5.112 -19.424 471 HB3 LEU 64 HB3 LEU 64 -29.062 -5.648 -17.826 472 HG LEU 64 HG LEU 64 -29.342 -7.422 -20.231 473 HD11 LEU 64 HD11 LEU 64 -27.074 -7.103 -20.378 474 HD12 LEU 64 HD12 LEU 64 -27.151 -8.432 -19.222 475 HD13 LEU 64 HD13 LEU 64 -26.895 -6.783 -18.652 476 HD21 LEU 64 HD21 LEU 64 -30.353 -7.722 -17.788 477 HD22 LEU 64 HD22 LEU 64 -28.744 -8.379 -17.489 478 HD23 LEU 64 HD23 LEU 64 -29.765 -9.085 -18.742 Start of MODEL 18 1 H1 ALA 1 H ALA 1 -4.783 -9.126 -6.911 2 HA ALA 1 HA ALA 1 -4.584 -9.094 -3.970 3 HB1 ALA 1 HB1 ALA 1 -2.576 -7.514 -5.402 4 HB2 ALA 1 HB2 ALA 1 -2.400 -8.593 -4.017 5 HB3 ALA 1 HB3 ALA 1 -2.447 -9.256 -5.650 6 H LYS 2 H LYS 2 -4.222 -6.806 -3.132 7 HA LYS 2 HA LYS 2 -5.942 -4.946 -4.639 8 HB2 LYS 2 HB2 LYS 2 -6.329 -3.972 -2.253 9 HB3 LYS 2 HB3 LYS 2 -7.203 -5.414 -2.752 10 HG2 LYS 2 HG2 LYS 2 -6.397 -5.699 -0.508 11 HG3 LYS 2 HG3 LYS 2 -5.530 -6.798 -1.584 12 HD2 LYS 2 HD2 LYS 2 -3.619 -5.316 -1.618 13 HD3 LYS 2 HD3 LYS 2 -4.492 -4.119 -0.658 14 HE2 LYS 2 HE2 LYS 2 -3.681 -5.087 1.171 15 HE3 LYS 2 HE3 LYS 2 -4.645 -6.512 0.787 16 HZ1 LYS 2 HZ1 LYS 2 -2.722 -7.213 -0.654 17 HZ2 LYS 2 HZ2 LYS 2 -2.444 -7.254 1.014 18 HZ3 LYS 2 HZ3 LYS 2 -1.818 -5.988 0.083 19 H ALA 3 H ALA 3 -2.897 -5.395 -4.377 20 HA ALA 3 HA ALA 3 -2.015 -2.867 -3.259 21 HB1 ALA 3 HB1 ALA 3 -0.184 -4.638 -4.797 22 HB2 ALA 3 HB2 ALA 3 0.112 -3.702 -3.330 23 HB3 ALA 3 HB3 ALA 3 -0.804 -5.206 -3.246 24 H CYS 4 H CYS 4 -3.755 -2.340 -5.276 25 HA CYS 4 HA CYS 4 -2.023 -1.005 -7.200 26 HB2 CYS 4 HB2 CYS 4 -3.364 -1.757 -9.123 27 HB3 CYS 4 HB3 CYS 4 -2.572 -3.107 -8.317 28 H THR 5 H THR 5 -3.764 0.148 -8.850 29 HA THR 5 HA THR 5 -5.515 1.678 -7.044 30 HB THR 5 HB THR 5 -4.418 2.591 -9.708 31 HG1 THR 5 HG1 THR 5 -3.490 3.141 -7.066 32 HG21 THR 5 HG21 THR 5 -5.818 4.027 -7.451 33 HG22 THR 5 HG22 THR 5 -6.413 3.783 -9.093 34 HG23 THR 5 HG23 THR 5 -5.030 4.836 -8.805 35 HA PRO 6 HA PRO 6 -8.447 -0.581 -9.782 36 HB2 PRO 6 HB2 PRO 6 -10.344 -0.872 -7.862 37 HB3 PRO 6 HB3 PRO 6 -8.990 -1.991 -8.052 38 HG2 PRO 6 HG2 PRO 6 -9.315 0.280 -6.129 39 HG3 PRO 6 HG3 PRO 6 -8.679 -1.350 -5.838 40 HD2 PRO 6 HD2 PRO 6 -7.071 0.802 -6.178 41 HD3 PRO 6 HD3 PRO 6 -6.604 -0.829 -6.698 42 H LEU 7 H LEU 7 -11.044 -0.126 -9.664 43 HA LEU 7 HA LEU 7 -11.352 2.510 -10.619 44 HB2 LEU 7 HB2 LEU 7 -12.734 0.318 -11.029 45 HB3 LEU 7 HB3 LEU 7 -13.688 0.916 -9.673 46 HG LEU 7 HG LEU 7 -13.946 3.067 -11.026 47 HD11 LEU 7 HD11 LEU 7 -12.975 1.222 -13.202 48 HD12 LEU 7 HD12 LEU 7 -12.186 2.696 -12.642 49 HD13 LEU 7 HD13 LEU 7 -13.745 2.786 -13.462 50 HD21 LEU 7 HD21 LEU 7 -15.247 0.825 -12.476 51 HD22 LEU 7 HD22 LEU 7 -15.941 2.313 -11.832 52 HD23 LEU 7 HD23 LEU 7 -15.546 0.980 -10.745 53 H LEU 8 H LEU 8 -12.256 4.326 -9.724 54 HA LEU 8 HA LEU 8 -12.905 5.807 -8.124 55 HB2 LEU 8 HB2 LEU 8 -13.709 3.488 -6.398 56 HB3 LEU 8 HB3 LEU 8 -14.375 5.119 -6.424 57 HG LEU 8 HG LEU 8 -14.729 3.058 -8.600 58 HD11 LEU 8 HD11 LEU 8 -16.365 3.827 -6.230 59 HD12 LEU 8 HD12 LEU 8 -16.067 2.235 -6.928 60 HD13 LEU 8 HD13 LEU 8 -17.175 3.353 -7.723 61 HD21 LEU 8 HD21 LEU 8 -15.299 5.928 -8.400 62 HD22 LEU 8 HD22 LEU 8 -16.661 4.943 -8.937 63 HD23 LEU 8 HD23 LEU 8 -15.134 4.896 -9.822 64 H HIS 9 H HIS 9 -10.286 5.387 -8.157 65 HA HIS 9 HA HIS 9 -9.561 5.615 -5.340 66 HB2 HIS 9 HB2 HIS 9 -8.606 3.498 -7.194 67 HB3 HIS 9 HB3 HIS 9 -7.403 4.236 -6.141 68 HD1 HIS 9 HD1 HIS 9 -7.198 3.210 -3.899 69 HD2 HIS 9 HD2 HIS 9 -10.908 2.460 -5.611 70 HE1 HIS 9 HE1 HIS 9 -8.379 1.674 -2.297 71 H ASP 10 H ASP 10 -7.302 6.462 -5.090 72 HA ASP 10 HA ASP 10 -6.972 8.773 -6.693 73 HB2 ASP 10 HB2 ASP 10 -4.813 9.018 -5.404 74 HB3 ASP 10 HB3 ASP 10 -6.265 8.884 -4.416 75 H CYS 11 H CYS 11 -6.455 8.533 -8.787 76 HA CYS 11 HA CYS 11 -4.271 6.700 -9.495 77 HB2 CYS 11 HB2 CYS 11 -5.137 6.646 -11.707 78 HB3 CYS 11 HB3 CYS 11 -6.528 6.502 -10.638 79 H SER 12 H SER 12 -4.543 9.766 -8.600 80 HA SER 12 HA SER 12 -3.480 11.403 -10.540 81 HB2 SER 12 HB2 SER 12 -4.043 12.561 -8.621 82 HB3 SER 12 HB3 SER 12 -3.304 11.366 -7.556 83 HG SER 12 HG SER 12 -1.946 13.246 -9.194 84 H HIS 13 H HIS 13 -1.716 9.333 -8.255 85 HA HIS 13 HA HIS 13 0.780 9.890 -9.673 86 HB2 HIS 13 HB2 HIS 13 0.094 8.717 -7.008 87 HB3 HIS 13 HB3 HIS 13 1.646 8.322 -7.741 88 HD1 HIS 13 HD1 HIS 13 1.878 9.802 -5.209 89 HD2 HIS 13 HD2 HIS 13 1.351 11.771 -8.829 90 HE1 HIS 13 HE1 HIS 13 2.734 12.137 -4.835 91 H ASP 14 H ASP 14 -1.544 8.129 -10.587 92 HA ASP 14 HA ASP 14 0.136 5.970 -11.564 93 HB2 ASP 14 HB2 ASP 14 -2.131 5.583 -9.672 94 HB3 ASP 14 HB3 ASP 14 -1.963 4.425 -10.989 95 H ARG 15 H ARG 15 -0.094 6.741 -13.631 96 HA ARG 15 HA ARG 15 -2.650 7.427 -14.734 97 HB2 ARG 15 HB2 ARG 15 -0.049 6.903 -16.183 98 HB3 ARG 15 HB3 ARG 15 -1.452 7.749 -16.820 99 HG2 ARG 15 HG2 ARG 15 -1.138 9.518 -15.160 100 HG3 ARG 15 HG3 ARG 15 0.279 8.672 -14.535 101 HD2 ARG 15 HD2 ARG 15 1.461 9.881 -15.992 102 HD3 ARG 15 HD3 ARG 15 0.783 8.833 -17.237 103 HE ARG 15 HE ARG 15 -0.497 10.585 -17.961 104 HH11 ARG 15 HH11 ARG 15 0.717 11.302 -14.777 105 HH12 ARG 15 HH12 ARG 15 0.149 12.939 -14.787 106 HH21 ARG 15 HH21 ARG 15 -1.250 12.739 -17.986 107 HH22 ARG 15 HH22 ARG 15 -0.970 13.754 -16.612 108 H HIS 16 H HIS 16 -0.310 4.998 -15.889 109 HA HIS 16 HA HIS 16 -2.575 3.335 -16.738 110 HB2 HIS 16 HB2 HIS 16 0.275 3.567 -17.646 111 HB3 HIS 16 HB3 HIS 16 -0.639 2.100 -17.977 112 HD1 HIS 16 HD1 HIS 16 -0.138 2.983 -20.520 113 HD2 HIS 16 HD2 HIS 16 -2.932 5.095 -18.287 114 HE1 HIS 16 HE1 HIS 16 -1.473 4.305 -22.191 115 H SER 17 H SER 17 -1.488 3.537 -13.972 116 HA SER 17 HA SER 17 -0.374 0.861 -13.574 117 HB2 SER 17 HB2 SER 17 -0.440 3.373 -11.978 118 HB3 SER 17 HB3 SER 17 -0.415 1.850 -11.087 119 HG SER 17 HG SER 17 1.450 1.298 -12.399 120 H CYS 18 H CYS 18 -3.342 2.441 -13.554 121 HA CYS 18 HA CYS 18 -4.750 1.383 -11.434 122 HB2 CYS 18 HB2 CYS 18 -5.470 2.248 -14.188 123 HB3 CYS 18 HB3 CYS 18 -6.668 1.313 -13.300 124 H CYS 19 H CYS 19 -6.093 -0.454 -11.183 125 HA CYS 19 HA CYS 19 -4.926 -2.881 -12.027 126 HB2 CYS 19 HB2 CYS 19 -7.724 -2.545 -10.939 127 HB3 CYS 19 HB3 CYS 19 -6.697 -3.971 -10.837 128 H ARG 20 H ARG 20 -5.951 -4.595 -13.262 129 HA ARG 20 HA ARG 20 -7.045 -3.586 -15.728 130 HB2 ARG 20 HB2 ARG 20 -5.368 -5.397 -15.698 131 HB3 ARG 20 HB3 ARG 20 -6.515 -6.432 -14.860 132 HG2 ARG 20 HG2 ARG 20 -7.720 -6.849 -16.728 133 HG3 ARG 20 HG3 ARG 20 -7.415 -5.251 -17.414 134 HD2 ARG 20 HD2 ARG 20 -5.427 -7.516 -17.268 135 HD3 ARG 20 HD3 ARG 20 -6.323 -7.027 -18.705 136 HE ARG 20 HE ARG 20 -5.063 -4.755 -17.994 137 HH11 ARG 20 HH11 ARG 20 -3.957 -8.022 -18.464 138 HH12 ARG 20 HH12 ARG 20 -2.371 -7.551 -18.975 139 HH21 ARG 20 HH21 ARG 20 -2.977 -4.121 -18.665 140 HH22 ARG 20 HH22 ARG 20 -1.814 -5.332 -19.088 141 H GLY 21 H GLY 21 -9.019 -4.299 -16.696 142 HA2 GLY 21 HA2 GLY 21 -11.114 -4.756 -14.690 143 HA3 GLY 21 HA3 GLY 21 -11.361 -4.108 -16.305 144 H ASP 22 H ASP 22 -13.132 -5.850 -15.939 145 HA ASP 22 HA ASP 22 -12.344 -8.580 -16.257 146 HB2 ASP 22 HB2 ASP 22 -14.761 -7.152 -15.738 147 HB3 ASP 22 HB3 ASP 22 -15.031 -8.208 -17.122 148 H MET 23 H MET 23 -12.947 -5.938 -18.399 149 HA MET 23 HA MET 23 -12.596 -7.755 -20.690 150 HB2 MET 23 HB2 MET 23 -14.337 -5.287 -20.567 151 HB3 MET 23 HB3 MET 23 -14.014 -6.219 -22.023 152 HG2 MET 23 HG2 MET 23 -14.954 -7.970 -19.974 153 HG3 MET 23 HG3 MET 23 -16.051 -6.600 -20.124 154 HE1 MET 23 HE1 MET 23 -17.994 -6.927 -22.979 155 HE2 MET 23 HE2 MET 23 -18.359 -8.089 -21.704 156 HE3 MET 23 HE3 MET 23 -17.736 -6.491 -21.290 157 H PHE 24 H PHE 24 -12.220 -4.432 -19.504 158 HA PHE 24 HA PHE 24 -9.757 -4.229 -21.089 159 HB2 PHE 24 HB2 PHE 24 -11.834 -2.039 -20.882 160 HB3 PHE 24 HB3 PHE 24 -10.299 -1.937 -21.737 161 HD1 PHE 24 HD1 PHE 24 -13.580 -3.639 -21.702 162 HD2 PHE 24 HD2 PHE 24 -10.084 -2.708 -23.943 163 HE1 PHE 24 HE1 PHE 24 -14.665 -4.489 -23.740 164 HE2 PHE 24 HE2 PHE 24 -11.163 -3.556 -25.985 165 HZ PHE 24 HZ PHE 24 -13.456 -4.449 -25.885 166 H LYS 25 H LYS 25 -8.353 -2.421 -20.347 167 HA LYS 25 HA LYS 25 -8.154 -2.483 -17.479 168 HB2 LYS 25 HB2 LYS 25 -6.041 -2.536 -18.358 169 HB3 LYS 25 HB3 LYS 25 -6.471 -1.526 -19.732 170 HG2 LYS 25 HG2 LYS 25 -6.458 -0.267 -17.047 171 HG3 LYS 25 HG3 LYS 25 -4.905 -0.665 -17.786 172 HD2 LYS 25 HD2 LYS 25 -5.928 0.516 -19.881 173 HD3 LYS 25 HD3 LYS 25 -7.006 1.257 -18.695 174 HE2 LYS 25 HE2 LYS 25 -5.399 2.612 -17.933 175 HE3 LYS 25 HE3 LYS 25 -4.211 1.310 -17.878 176 HZ1 LYS 25 HZ1 LYS 25 -4.598 1.831 -20.548 177 HZ2 LYS 25 HZ2 LYS 25 -3.259 2.274 -19.617 178 HZ3 LYS 25 HZ3 LYS 25 -4.541 3.357 -19.822 179 H TYR 26 H TYR 26 -8.414 -0.809 -16.044 180 HA TYR 26 HA TYR 26 -10.283 1.214 -16.751 181 HB2 TYR 26 HB2 TYR 26 -8.623 0.910 -14.240 182 HB3 TYR 26 HB3 TYR 26 -10.006 1.984 -14.428 183 HD1 TYR 26 HD1 TYR 26 -11.917 0.262 -15.856 184 HD2 TYR 26 HD2 TYR 26 -9.281 -0.651 -12.643 185 HE1 TYR 26 HE1 TYR 26 -13.422 -1.548 -15.144 186 HE2 TYR 26 HE2 TYR 26 -10.779 -2.464 -11.922 187 HH TYR 26 HH TYR 26 -12.854 -3.347 -12.170 188 H VAL 27 H VAL 27 -10.019 3.432 -16.908 189 HA VAL 27 HA VAL 27 -7.261 4.308 -17.445 190 HB VAL 27 HB VAL 27 -8.576 4.591 -19.397 191 HG11 VAL 27 HG11 VAL 27 -10.789 4.372 -18.585 192 HG12 VAL 27 HG12 VAL 27 -10.636 5.810 -17.572 193 HG13 VAL 27 HG13 VAL 27 -10.691 5.968 -19.329 194 HG21 VAL 27 HG21 VAL 27 -8.426 6.936 -19.797 195 HG22 VAL 27 HG22 VAL 27 -8.569 7.300 -18.078 196 HG23 VAL 27 HG23 VAL 27 -7.118 6.509 -18.693 197 H CYS 28 H CYS 28 -6.538 6.326 -16.683 198 HA CYS 28 HA CYS 28 -7.793 7.134 -14.180 199 HB2 CYS 28 HB2 CYS 28 -5.425 6.748 -14.056 200 HB3 CYS 28 HB3 CYS 28 -5.127 7.801 -15.434 201 H ASP 29 H ASP 29 -9.027 8.878 -13.993 202 HA ASP 29 HA ASP 29 -9.012 10.841 -16.184 203 HB2 ASP 29 HB2 ASP 29 -11.151 9.751 -14.425 204 HB3 ASP 29 HB3 ASP 29 -11.293 11.434 -14.923 205 H CYS 30 H CYS 30 -8.104 12.734 -15.773 206 HA CYS 30 HA CYS 30 -7.784 13.579 -12.981 207 HB2 CYS 30 HB2 CYS 30 -6.272 14.148 -15.506 208 HB3 CYS 30 HB3 CYS 30 -6.181 15.281 -14.162 209 H PHE 31 H PHE 31 -8.462 15.570 -12.263 210 HA PHE 31 HA PHE 31 -9.787 17.374 -14.133 211 HB2 PHE 31 HB2 PHE 31 -11.156 15.821 -11.984 212 HB3 PHE 31 HB3 PHE 31 -11.680 17.475 -12.275 213 HD1 PHE 31 HD2 PHE 31 -11.907 17.980 -14.938 214 HD2 PHE 31 HD1 PHE 31 -12.371 14.200 -13.036 215 HE1 PHE 31 HE2 PHE 31 -13.295 17.209 -16.816 216 HE2 PHE 31 HE1 PHE 31 -13.759 13.423 -14.913 217 HZ PHE 31 HZ PHE 31 -14.223 14.928 -16.806 218 H TYR 32 H TYR 32 -10.471 19.425 -13.012 219 HA TYR 32 HA TYR 32 -8.947 20.019 -10.594 220 HB2 TYR 32 HB2 TYR 32 -8.718 21.975 -12.838 221 HB3 TYR 32 HB3 TYR 32 -7.621 21.681 -11.493 222 HD1 TYR 32 HD1 TYR 32 -8.639 20.582 -14.843 223 HD2 TYR 32 HD2 TYR 32 -5.926 19.960 -11.625 224 HE1 TYR 32 HE1 TYR 32 -7.220 19.210 -16.312 225 HE2 TYR 32 HE2 TYR 32 -4.499 18.588 -13.085 226 HH TYR 32 HH TYR 32 -4.946 18.441 -16.480 227 HA PRO 33 HA PRO 33 -12.419 22.491 -9.547 228 HB2 PRO 33 HB2 PRO 33 -11.258 24.430 -8.044 229 HB3 PRO 33 HB3 PRO 33 -11.453 22.766 -7.481 230 HG2 PRO 33 HG2 PRO 33 -9.040 24.103 -8.644 231 HG3 PRO 33 HG3 PRO 33 -9.150 23.003 -7.257 232 HD2 PRO 33 HD2 PRO 33 -8.336 22.183 -9.705 233 HD3 PRO 33 HD3 PRO 33 -9.226 21.125 -8.591 234 H GLU 34 H GLU 34 -12.478 23.104 -11.937 235 HA GLU 34 HA GLU 34 -12.729 24.664 -13.577 236 HB2 GLU 34 HB2 GLU 34 -13.005 26.463 -11.166 237 HB3 GLU 34 HB3 GLU 34 -13.393 26.944 -12.810 238 HG2 GLU 34 HG2 GLU 34 -15.165 25.356 -12.936 239 HG3 GLU 34 HG3 GLU 34 -14.695 24.631 -11.400 240 H GLY 35 H GLY 35 -10.012 24.098 -12.517 241 HA2 GLY 35 HA2 GLY 35 -8.511 25.784 -14.120 242 HA3 GLY 35 HA3 GLY 35 -8.505 26.510 -12.520 243 H GLU 36 H GLU 36 -6.397 25.170 -14.231 244 HA GLU 36 HA GLU 36 -5.651 22.893 -12.576 245 HB2 GLU 36 HB2 GLU 36 -4.218 24.091 -14.953 246 HB3 GLU 36 HB3 GLU 36 -3.847 22.557 -14.180 247 HG2 GLU 36 HG2 GLU 36 -5.252 21.538 -15.539 248 HG3 GLU 36 HG3 GLU 36 -6.578 22.495 -14.884 249 H ASP 37 H ASP 37 -5.570 25.922 -11.877 250 HA ASP 37 HA ASP 37 -2.768 25.999 -10.978 251 HB2 ASP 37 HB2 ASP 37 -4.135 27.906 -12.381 252 HB3 ASP 37 HB3 ASP 37 -4.356 28.463 -10.724 253 H LYS 38 H LYS 38 -4.807 24.468 -9.651 254 HA LYS 38 HA LYS 38 -4.695 25.781 -7.033 255 HB2 LYS 38 HB2 LYS 38 -7.146 24.682 -8.383 256 HB3 LYS 38 HB3 LYS 38 -7.036 24.762 -6.630 257 HG2 LYS 38 HG2 LYS 38 -7.155 27.040 -6.585 258 HG3 LYS 38 HG3 LYS 38 -6.439 27.220 -8.188 259 HD2 LYS 38 HD2 LYS 38 -8.559 26.247 -9.129 260 HD3 LYS 38 HD3 LYS 38 -9.250 26.373 -7.509 261 HE2 LYS 38 HE2 LYS 38 -8.296 28.868 -7.797 262 HE3 LYS 38 HE3 LYS 38 -8.627 28.481 -9.484 263 HZ1 LYS 38 HZ1 LYS 38 -10.744 28.932 -9.095 264 HZ2 LYS 38 HZ2 LYS 38 -10.445 29.183 -7.450 265 HZ3 LYS 38 HZ3 LYS 38 -10.823 27.633 -8.014 266 H THR 39 H THR 39 -6.213 22.790 -8.205 267 HA THR 39 HA THR 39 -4.145 21.170 -6.974 268 HB THR 39 HB THR 39 -6.982 20.722 -6.068 269 HG1 THR 39 HG1 THR 39 -4.999 22.009 -4.501 270 HG21 THR 39 HG21 THR 39 -6.143 19.070 -4.771 271 HG22 THR 39 HG22 THR 39 -4.660 19.958 -4.420 272 HG23 THR 39 HG23 THR 39 -4.828 19.091 -5.945 273 H GLU 40 H GLU 40 -3.962 19.178 -7.891 274 HA GLU 40 HA GLU 40 -5.739 18.631 -10.150 275 HB2 GLU 40 HB2 GLU 40 -3.280 17.029 -9.574 276 HB3 GLU 40 HB3 GLU 40 -4.013 17.428 -11.121 277 HG2 GLU 40 HG2 GLU 40 -2.498 19.321 -9.339 278 HG3 GLU 40 HG3 GLU 40 -1.902 18.584 -10.825 279 H VAL 41 H VAL 41 -7.451 17.427 -9.645 280 HA VAL 41 HA VAL 41 -7.109 15.204 -7.749 281 HB VAL 41 HB VAL 41 -9.730 16.386 -8.657 282 HG11 VAL 41 HG11 VAL 41 -8.973 14.632 -6.322 283 HG12 VAL 41 HG12 VAL 41 -10.578 15.309 -6.607 284 HG13 VAL 41 HG13 VAL 41 -9.894 14.148 -7.746 285 HG21 VAL 41 HG21 VAL 41 -9.716 17.517 -6.406 286 HG22 VAL 41 HG22 VAL 41 -7.997 17.132 -6.309 287 HG23 VAL 41 HG23 VAL 41 -8.595 18.180 -7.595 288 H CYS 42 H CYS 42 -6.810 13.304 -8.699 289 HA CYS 42 HA CYS 42 -8.287 12.729 -11.184 290 HB2 CYS 42 HB2 CYS 42 -5.671 11.460 -10.371 291 HB3 CYS 42 HB3 CYS 42 -6.471 11.366 -11.935 292 H SER 43 H SER 43 -9.051 10.581 -11.479 293 HA SER 43 HA SER 43 -8.969 8.769 -9.209 294 HB2 SER 43 HB2 SER 43 -11.558 8.578 -9.405 295 HB3 SER 43 HB3 SER 43 -10.872 9.912 -8.478 296 HG SER 43 HG SER 43 -11.376 11.302 -10.067 297 H CYS 44 H CYS 44 -9.303 6.646 -9.760 298 HA CYS 44 HA CYS 44 -8.954 5.945 -12.486 299 HB2 CYS 44 HB2 CYS 44 -8.324 4.686 -10.239 300 HB3 CYS 44 HB3 CYS 44 -9.892 3.929 -10.495 301 H GLN 45 H GLN 45 -10.376 5.333 -14.013 302 HA GLN 45 HA GLN 45 -13.142 4.762 -13.251 303 HB2 GLN 45 HB2 GLN 45 -12.248 6.949 -15.114 304 HB3 GLN 45 HB3 GLN 45 -13.849 6.232 -15.241 305 HG2 GLN 45 HG2 GLN 45 -13.238 6.997 -12.522 306 HG3 GLN 45 HG3 GLN 45 -13.096 8.357 -13.635 307 HE21 GLN 45 HE21 GLN 45 -15.209 6.242 -11.992 308 HE22 GLN 45 HE22 GLN 45 -16.695 6.889 -12.589 309 H GLN 46 H GLN 46 -14.378 4.305 -15.493 310 HA GLN 46 HA GLN 46 -12.824 2.166 -16.735 311 HB2 GLN 46 HB2 GLN 46 -15.770 2.791 -16.656 312 HB3 GLN 46 HB3 GLN 46 -15.102 1.553 -17.711 313 HG2 GLN 46 HG2 GLN 46 -14.307 0.296 -15.836 314 HG3 GLN 46 HG3 GLN 46 -14.755 1.588 -14.724 315 HE21 GLN 46 HE21 GLN 46 -17.012 2.048 -14.448 316 HE22 GLN 46 HE22 GLN 46 -18.182 0.798 -14.680 317 HA PRO 47 HA PRO 47 -12.198 4.354 -20.499 318 HB2 PRO 47 HB2 PRO 47 -11.952 2.253 -22.201 319 HB3 PRO 47 HB3 PRO 47 -10.697 2.701 -21.039 320 HG2 PRO 47 HG2 PRO 47 -12.782 0.562 -20.845 321 HG3 PRO 47 HG3 PRO 47 -11.064 0.493 -20.408 322 HD2 PRO 47 HD2 PRO 47 -13.024 0.834 -18.569 323 HD3 PRO 47 HD3 PRO 47 -11.408 1.546 -18.386 324 H LYS 48 H LYS 48 -13.074 4.557 -22.722 325 HA LYS 48 HA LYS 48 -15.817 4.891 -22.766 326 HB2 LYS 48 HB2 LYS 48 -13.783 5.535 -24.450 327 HB3 LYS 48 HB3 LYS 48 -14.589 4.278 -25.379 328 HG2 LYS 48 HG2 LYS 48 -16.498 5.512 -25.658 329 HG3 LYS 48 HG3 LYS 48 -16.231 6.457 -24.192 330 HD2 LYS 48 HD2 LYS 48 -14.094 7.236 -25.609 331 HD3 LYS 48 HD3 LYS 48 -15.196 6.864 -26.935 332 HE2 LYS 48 HE2 LYS 48 -16.796 8.426 -26.164 333 HE3 LYS 48 HE3 LYS 48 -15.984 8.602 -24.609 334 HZ1 LYS 48 HZ1 LYS 48 -14.163 9.256 -26.630 335 HZ2 LYS 48 HZ2 LYS 48 -14.824 10.270 -25.449 336 HZ3 LYS 48 HZ3 LYS 48 -15.598 10.097 -26.943 337 H SER 49 H SER 49 -13.919 2.060 -23.504 338 HA SER 49 HA SER 49 -15.913 0.599 -24.880 339 HB2 SER 49 HB2 SER 49 -13.276 0.036 -23.688 340 HB3 SER 49 HB3 SER 49 -14.374 -1.345 -23.740 341 HG SER 49 HG SER 49 -12.919 -0.477 -25.694 342 H HIS 50 H HIS 50 -14.726 0.191 -21.538 343 HA HIS 50 HA HIS 50 -16.671 -1.589 -20.679 344 HB2 HIS 50 HB2 HIS 50 -14.657 0.097 -19.446 345 HB3 HIS 50 HB3 HIS 50 -16.100 -0.020 -18.442 346 HD1 HIS 50 HD1 HIS 50 -14.792 -1.431 -16.698 347 HD2 HIS 50 HD2 HIS 50 -15.068 -3.175 -20.458 348 HE1 HIS 50 HE1 HIS 50 -14.097 -3.827 -16.381 349 H LYS 51 H LYS 51 -16.742 1.930 -20.812 350 HA LYS 51 HA LYS 51 -19.122 2.316 -19.358 351 HB2 LYS 51 HB2 LYS 51 -17.828 3.980 -21.522 352 HB3 LYS 51 HB3 LYS 51 -19.216 4.511 -20.580 353 HG2 LYS 51 HG2 LYS 51 -16.537 3.765 -19.424 354 HG3 LYS 51 HG3 LYS 51 -17.075 5.412 -19.757 355 HD2 LYS 51 HD2 LYS 51 -18.429 3.473 -17.882 356 HD3 LYS 51 HD3 LYS 51 -17.369 4.797 -17.394 357 HE2 LYS 51 HE2 LYS 51 -19.005 6.294 -18.711 358 HE3 LYS 51 HE3 LYS 51 -20.105 4.920 -18.616 359 HZ1 LYS 51 HZ1 LYS 51 -18.813 6.019 -16.198 360 HZ2 LYS 51 HZ2 LYS 51 -20.204 5.065 -16.310 361 HZ3 LYS 51 HZ3 LYS 51 -20.247 6.682 -16.803 362 H ILE 52 H ILE 52 -18.696 2.585 -22.891 363 HA ILE 52 HA ILE 52 -21.387 2.599 -23.560 364 HB ILE 52 HB ILE 52 -19.085 1.492 -25.172 365 HG12 ILE 52 HG12 ILE 52 -18.853 3.865 -24.490 366 HG13 ILE 52 HG13 ILE 52 -19.034 3.679 -26.231 367 HG21 ILE 52 HG21 ILE 52 -20.711 0.723 -26.508 368 HG22 ILE 52 HG22 ILE 52 -21.949 1.695 -25.716 369 HG23 ILE 52 HG23 ILE 52 -20.929 2.414 -26.963 370 HD11 ILE 52 HD11 ILE 52 -20.812 4.992 -26.239 371 HD12 ILE 52 HD12 ILE 52 -21.596 4.032 -24.984 372 HD13 ILE 52 HD13 ILE 52 -20.496 5.337 -24.539 373 H ALA 53 H ALA 53 -19.168 -0.188 -23.475 374 HA ALA 53 HA ALA 53 -20.909 -2.181 -24.248 375 HB1 ALA 53 HB1 ALA 53 -19.420 -3.730 -23.290 376 HB2 ALA 53 HB2 ALA 53 -18.423 -2.354 -23.764 377 HB3 ALA 53 HB3 ALA 53 -18.873 -2.575 -22.074 378 H GLU 54 H GLU 54 -20.275 -1.067 -20.921 379 HA GLU 54 HA GLU 54 -22.063 -2.748 -19.613 380 HB2 GLU 54 HB2 GLU 54 -20.829 -0.109 -18.990 381 HB3 GLU 54 HB3 GLU 54 -22.171 -0.646 -17.988 382 HG2 GLU 54 HG2 GLU 54 -20.209 -2.737 -18.383 383 HG3 GLU 54 HG3 GLU 54 -19.505 -1.289 -17.664 384 H LYS 55 H LYS 55 -22.589 0.505 -20.933 385 HA LYS 55 HA LYS 55 -25.212 0.891 -20.117 386 HB2 LYS 55 HB2 LYS 55 -23.416 2.040 -22.087 387 HB3 LYS 55 HB3 LYS 55 -25.077 2.023 -22.666 388 HG2 LYS 55 HG2 LYS 55 -25.216 3.977 -21.583 389 HG3 LYS 55 HG3 LYS 55 -25.435 2.960 -20.157 390 HD2 LYS 55 HD2 LYS 55 -22.812 3.013 -20.104 391 HD3 LYS 55 HD3 LYS 55 -23.032 4.482 -21.057 392 HE2 LYS 55 HE2 LYS 55 -24.813 4.383 -18.769 393 HE3 LYS 55 HE3 LYS 55 -23.119 4.269 -18.293 394 HZ1 LYS 55 HZ1 LYS 55 -22.646 6.294 -19.448 395 HZ2 LYS 55 HZ2 LYS 55 -23.954 6.570 -18.412 396 HZ3 LYS 55 HZ3 LYS 55 -24.216 6.377 -20.073 397 H ILE 56 H ILE 56 -24.042 -0.572 -23.143 398 HA ILE 56 HA ILE 56 -26.547 -1.144 -24.250 399 HB ILE 56 HB ILE 56 -23.963 -2.666 -24.615 400 HG12 ILE 56 HG12 ILE 56 -23.779 -0.271 -25.163 401 HG13 ILE 56 HG13 ILE 56 -23.665 -1.273 -26.605 402 HG21 ILE 56 HG21 ILE 56 -26.640 -2.994 -25.739 403 HG22 ILE 56 HG22 ILE 56 -25.367 -2.873 -26.952 404 HG23 ILE 56 HG23 ILE 56 -25.278 -4.114 -25.703 405 HD11 ILE 56 HD11 ILE 56 -25.488 0.844 -26.007 406 HD12 ILE 56 HD12 ILE 56 -25.250 -0.036 -27.517 407 HD13 ILE 56 HD13 ILE 56 -26.378 -0.648 -26.308 408 H ILE 57 H ILE 57 -24.343 -3.378 -22.546 409 HA ILE 57 HA ILE 57 -26.027 -5.571 -22.432 410 HB ILE 57 HB ILE 57 -24.013 -4.717 -20.348 411 HG12 ILE 57 HG12 ILE 57 -23.075 -4.921 -22.625 412 HG13 ILE 57 HG13 ILE 57 -22.454 -6.165 -21.545 413 HG21 ILE 57 HG21 ILE 57 -25.431 -6.382 -19.403 414 HG22 ILE 57 HG22 ILE 57 -25.358 -7.359 -20.869 415 HG23 ILE 57 HG23 ILE 57 -23.924 -7.173 -19.862 416 HD11 ILE 57 HD11 ILE 57 -22.924 -7.150 -23.665 417 HD12 ILE 57 HD12 ILE 57 -24.115 -7.738 -22.506 418 HD13 ILE 57 HD13 ILE 57 -24.557 -6.487 -23.668 419 H ASP 58 H ASP 58 -25.902 -2.741 -20.349 420 HA ASP 58 HA ASP 58 -27.615 -3.703 -18.321 421 HB2 ASP 58 HB2 ASP 58 -26.615 -1.032 -19.177 422 HB3 ASP 58 HB3 ASP 58 -28.026 -1.074 -18.123 423 H LYS 59 H LYS 59 -28.251 -1.686 -21.179 424 HA LYS 59 HA LYS 59 -31.017 -1.405 -20.766 425 HB2 LYS 59 HB2 LYS 59 -29.282 -0.304 -22.491 426 HB3 LYS 59 HB3 LYS 59 -30.001 -1.506 -23.555 427 HG2 LYS 59 HG2 LYS 59 -32.041 -0.489 -23.561 428 HG3 LYS 59 HG3 LYS 59 -31.822 0.209 -21.955 429 HD2 LYS 59 HD2 LYS 59 -29.838 1.407 -23.462 430 HD3 LYS 59 HD3 LYS 59 -31.209 1.321 -24.572 431 HE2 LYS 59 HE2 LYS 59 -32.531 2.221 -22.484 432 HE3 LYS 59 HE3 LYS 59 -30.936 2.783 -21.987 433 HZ1 LYS 59 HZ1 LYS 59 -31.536 4.562 -23.206 434 HZ2 LYS 59 HZ2 LYS 59 -32.630 3.699 -24.164 435 HZ3 LYS 59 HZ3 LYS 59 -30.973 3.627 -24.498 436 H ALA 60 H ALA 60 -29.122 -3.866 -22.424 437 HA ALA 60 HA ALA 60 -31.353 -5.230 -23.557 438 HB1 ALA 60 HB1 ALA 60 -29.796 -6.949 -24.154 439 HB2 ALA 60 HB2 ALA 60 -29.018 -5.387 -24.409 440 HB3 ALA 60 HB3 ALA 60 -28.614 -6.353 -22.989 441 H LYS 61 H LYS 61 -29.141 -6.229 -20.935 442 HA LYS 61 HA LYS 61 -30.609 -8.398 -20.031 443 HB2 LYS 61 HB2 LYS 61 -28.244 -7.444 -19.350 444 HB3 LYS 61 HB3 LYS 61 -29.160 -6.689 -18.053 445 HG2 LYS 61 HG2 LYS 61 -28.713 -8.594 -16.964 446 HG3 LYS 61 HG3 LYS 61 -30.080 -9.221 -17.889 447 HD2 LYS 61 HD2 LYS 61 -28.762 -10.653 -18.973 448 HD3 LYS 61 HD3 LYS 61 -27.661 -9.356 -19.446 449 HE2 LYS 61 HE2 LYS 61 -26.288 -9.680 -17.625 450 HE3 LYS 61 HE3 LYS 61 -27.571 -10.398 -16.652 451 HZ1 LYS 61 HZ1 LYS 61 -27.422 -12.407 -17.897 452 HZ2 LYS 61 HZ2 LYS 61 -25.855 -11.995 -17.413 453 HZ3 LYS 61 HZ3 LYS 61 -26.346 -11.723 -19.009 454 H THR 62 H THR 62 -30.628 -5.093 -18.688 455 HA THR 62 HA THR 62 -32.218 -3.920 -17.557 456 HB THR 62 HB THR 62 -34.337 -5.883 -18.355 457 HG1 THR 62 HG1 THR 62 -32.806 -4.224 -20.047 458 HG21 THR 62 HG21 THR 62 -35.424 -4.187 -17.312 459 HG22 THR 62 HG22 THR 62 -35.298 -3.430 -18.899 460 HG23 THR 62 HG23 THR 62 -34.140 -3.023 -17.633 461 H THR 63 H THR 63 -30.971 -6.558 -16.533 462 HA THR 63 HA THR 63 -32.906 -7.346 -14.509 463 HB THR 63 HB THR 63 -30.075 -8.326 -14.930 464 HG1 THR 63 HG1 THR 63 -31.781 -8.719 -16.624 465 HG21 THR 63 HG21 THR 63 -31.647 -10.280 -13.690 466 HG22 THR 63 HG22 THR 63 -32.020 -8.776 -12.847 467 HG23 THR 63 HG23 THR 63 -30.351 -9.335 -12.961 468 H LEU 64 H LEU 64 -30.048 -5.391 -14.829 469 HA LEU 64 HA LEU 64 -28.861 -4.112 -13.367 470 HB2 LEU 64 HB2 LEU 64 -31.670 -3.997 -12.421 471 HB3 LEU 64 HB3 LEU 64 -30.427 -3.348 -11.354 472 HG LEU 64 HG LEU 64 -30.561 -2.440 -14.200 473 HD11 LEU 64 HD11 LEU 64 -32.774 -2.272 -12.572 474 HD12 LEU 64 HD12 LEU 64 -32.420 -1.236 -13.956 475 HD13 LEU 64 HD13 LEU 64 -31.973 -0.719 -12.330 476 HD21 LEU 64 HD21 LEU 64 -30.004 -0.341 -12.477 477 HD22 LEU 64 HD22 LEU 64 -28.840 -1.254 -13.438 478 HD23 LEU 64 HD23 LEU 64 -29.165 -1.721 -11.768 Start of MODEL 19 1 H1 ALA 1 H ALA 1 1.183 -9.778 -4.596 2 HA ALA 1 HA ALA 1 0.430 -9.376 -1.896 3 HB1 ALA 1 HB1 ALA 1 3.110 -9.143 -3.252 4 HB2 ALA 1 HB2 ALA 1 2.866 -9.082 -1.506 5 HB3 ALA 1 HB3 ALA 1 2.462 -10.546 -2.402 6 H LYS 2 H LYS 2 0.792 -7.225 -4.493 7 HA LYS 2 HA LYS 2 1.018 -4.939 -2.648 8 HB2 LYS 2 HB2 LYS 2 2.062 -5.410 -5.401 9 HB3 LYS 2 HB3 LYS 2 1.581 -3.773 -4.973 10 HG2 LYS 2 HG2 LYS 2 3.802 -3.745 -4.422 11 HG3 LYS 2 HG3 LYS 2 3.076 -4.189 -2.875 12 HD2 LYS 2 HD2 LYS 2 3.526 -6.553 -3.358 13 HD3 LYS 2 HD3 LYS 2 4.271 -6.094 -4.891 14 HE2 LYS 2 HE2 LYS 2 6.051 -4.983 -3.795 15 HE3 LYS 2 HE3 LYS 2 5.228 -5.045 -2.239 16 HZ1 LYS 2 HZ1 LYS 2 7.113 -6.729 -2.810 17 HZ2 LYS 2 HZ2 LYS 2 5.872 -7.564 -3.599 18 HZ3 LYS 2 HZ3 LYS 2 5.751 -7.236 -1.944 19 H ALA 3 H ALA 3 -0.686 -3.637 -2.470 20 HA ALA 3 HA ALA 3 -3.119 -4.183 -3.811 21 HB1 ALA 3 HB1 ALA 3 -2.193 -2.044 -1.941 22 HB2 ALA 3 HB2 ALA 3 -3.754 -1.900 -2.749 23 HB3 ALA 3 HB3 ALA 3 -3.425 -3.283 -1.705 24 H CYS 4 H CYS 4 -4.193 -3.079 -5.422 25 HA CYS 4 HA CYS 4 -2.517 -1.277 -7.033 26 HB2 CYS 4 HB2 CYS 4 -3.876 -1.937 -8.945 27 HB3 CYS 4 HB3 CYS 4 -3.231 -3.366 -8.143 28 H THR 5 H THR 5 -4.256 -0.005 -8.596 29 HA THR 5 HA THR 5 -5.890 1.540 -6.696 30 HB THR 5 HB THR 5 -4.774 2.470 -9.347 31 HG1 THR 5 HG1 THR 5 -3.896 3.252 -6.760 32 HG21 THR 5 HG21 THR 5 -6.910 3.499 -8.138 33 HG22 THR 5 HG22 THR 5 -5.720 4.512 -8.955 34 HG23 THR 5 HG23 THR 5 -5.663 4.324 -7.203 35 HA PRO 6 HA PRO 6 -8.970 -0.512 -9.442 36 HB2 PRO 6 HB2 PRO 6 -10.819 -0.837 -7.481 37 HB3 PRO 6 HB3 PRO 6 -9.508 -1.987 -7.765 38 HG2 PRO 6 HG2 PRO 6 -9.703 0.196 -5.727 39 HG3 PRO 6 HG3 PRO 6 -9.111 -1.464 -5.534 40 HD2 PRO 6 HD2 PRO 6 -7.446 0.652 -5.821 41 HD3 PRO 6 HD3 PRO 6 -7.047 -0.967 -6.431 42 H LEU 7 H LEU 7 -11.565 0.013 -9.160 43 HA LEU 7 HA LEU 7 -11.857 2.646 -10.074 44 HB2 LEU 7 HB2 LEU 7 -13.384 0.500 -10.252 45 HB3 LEU 7 HB3 LEU 7 -14.172 1.229 -8.854 46 HG LEU 7 HG LEU 7 -14.510 3.294 -10.241 47 HD11 LEU 7 HD11 LEU 7 -14.443 2.865 -12.734 48 HD12 LEU 7 HD12 LEU 7 -13.434 1.467 -12.371 49 HD13 LEU 7 HD13 LEU 7 -12.886 3.086 -11.938 50 HD21 LEU 7 HD21 LEU 7 -16.458 2.116 -10.039 51 HD22 LEU 7 HD22 LEU 7 -15.782 0.655 -10.759 52 HD23 LEU 7 HD23 LEU 7 -16.226 2.020 -11.785 53 H LEU 8 H LEU 8 -12.554 4.523 -9.127 54 HA LEU 8 HA LEU 8 -12.966 6.059 -7.501 55 HB2 LEU 8 HB2 LEU 8 -13.665 3.837 -5.617 56 HB3 LEU 8 HB3 LEU 8 -14.291 5.484 -5.662 57 HG LEU 8 HG LEU 8 -14.887 3.411 -7.767 58 HD11 LEU 8 HD11 LEU 8 -16.114 2.433 -6.167 59 HD12 LEU 8 HD12 LEU 8 -17.213 3.789 -6.416 60 HD13 LEU 8 HD13 LEU 8 -16.035 3.837 -5.104 61 HD21 LEU 8 HD21 LEU 8 -16.730 4.957 -8.312 62 HD22 LEU 8 HD22 LEU 8 -15.140 5.684 -8.543 63 HD23 LEU 8 HD23 LEU 8 -16.099 6.095 -7.121 64 H HIS 9 H HIS 9 -10.416 5.681 -7.785 65 HA HIS 9 HA HIS 9 -9.370 5.828 -5.071 66 HB2 HIS 9 HB2 HIS 9 -8.639 3.735 -7.058 67 HB3 HIS 9 HB3 HIS 9 -7.338 4.426 -6.091 68 HD1 HIS 9 HD1 HIS 9 -7.035 3.487 -3.803 69 HD2 HIS 9 HD2 HIS 9 -10.743 2.533 -5.416 70 HE1 HIS 9 HE1 HIS 9 -8.086 1.884 -2.174 71 H ASP 10 H ASP 10 -7.077 6.629 -5.071 72 HA ASP 10 HA ASP 10 -6.891 8.891 -6.830 73 HB2 ASP 10 HB2 ASP 10 -4.830 9.409 -5.551 74 HB3 ASP 10 HB3 ASP 10 -6.221 9.129 -4.508 75 H CYS 11 H CYS 11 -5.997 8.886 -8.773 76 HA CYS 11 HA CYS 11 -3.726 7.094 -9.290 77 HB2 CYS 11 HB2 CYS 11 -4.628 6.639 -11.551 78 HB3 CYS 11 HB3 CYS 11 -5.673 6.026 -10.274 79 H SER 12 H SER 12 -4.625 10.154 -9.011 80 HA SER 12 HA SER 12 -3.930 11.499 -11.331 81 HB2 SER 12 HB2 SER 12 -2.955 12.815 -8.901 82 HB3 SER 12 HB3 SER 12 -4.168 13.351 -10.063 83 HG SER 12 HG SER 12 -4.620 12.494 -7.659 84 H HIS 13 H HIS 13 -1.868 10.167 -8.809 85 HA HIS 13 HA HIS 13 0.545 11.274 -9.923 86 HB2 HIS 13 HB2 HIS 13 0.176 9.123 -7.826 87 HB3 HIS 13 HB3 HIS 13 1.691 9.935 -8.209 88 HD1 HIS 13 HD1 HIS 13 2.006 12.336 -7.332 89 HD2 HIS 13 HD2 HIS 13 -1.638 10.625 -6.301 90 HE1 HIS 13 HE1 HIS 13 1.027 13.844 -5.573 91 H ASP 14 H ASP 14 -1.370 8.480 -10.441 92 HA ASP 14 HA ASP 14 0.448 7.572 -12.500 93 HB2 ASP 14 HB2 ASP 14 -0.327 5.705 -10.247 94 HB3 ASP 14 HB3 ASP 14 0.613 5.280 -11.674 95 H ARG 15 H ARG 15 -0.957 7.606 -14.139 96 HA ARG 15 HA ARG 15 -3.714 6.801 -13.771 97 HB2 ARG 15 HB2 ARG 15 -2.274 7.638 -16.295 98 HB3 ARG 15 HB3 ARG 15 -4.014 7.482 -16.094 99 HG2 ARG 15 HG2 ARG 15 -4.206 9.463 -15.042 100 HG3 ARG 15 HG3 ARG 15 -2.664 9.289 -14.202 101 HD2 ARG 15 HD2 ARG 15 -2.658 11.134 -15.841 102 HD3 ARG 15 HD3 ARG 15 -1.459 9.892 -16.204 103 HE ARG 15 HE ARG 15 -3.886 9.399 -17.586 104 HH11 ARG 15 HH11 ARG 15 -1.053 11.422 -17.611 105 HH12 ARG 15 HH12 ARG 15 -1.106 11.700 -19.319 106 HH21 ARG 15 HH21 ARG 15 -3.967 9.757 -19.838 107 HH22 ARG 15 HH22 ARG 15 -2.765 10.753 -20.586 108 H HIS 16 H HIS 16 -0.762 5.464 -15.008 109 HA HIS 16 HA HIS 16 -2.154 3.233 -16.275 110 HB2 HIS 16 HB2 HIS 16 0.654 4.257 -16.295 111 HB3 HIS 16 HB3 HIS 16 0.373 2.559 -16.665 112 HD1 HIS 16 HD1 HIS 16 -1.934 2.516 -18.486 113 HD2 HIS 16 HD2 HIS 16 0.883 5.565 -18.637 114 HE1 HIS 16 HE1 HIS 16 -2.126 3.495 -20.795 115 H SER 17 H SER 17 -1.848 3.831 -13.268 116 HA SER 17 HA SER 17 -0.537 1.343 -12.437 117 HB2 SER 17 HB2 SER 17 -0.640 2.275 -10.159 118 HB3 SER 17 HB3 SER 17 0.163 3.386 -11.268 119 HG SER 17 HG SER 17 -2.382 3.568 -10.092 120 H CYS 18 H CYS 18 -3.619 2.747 -12.902 121 HA CYS 18 HA CYS 18 -5.222 1.523 -11.022 122 HB2 CYS 18 HB2 CYS 18 -5.628 2.458 -13.817 123 HB3 CYS 18 HB3 CYS 18 -6.871 1.418 -13.129 124 H CYS 19 H CYS 19 -6.542 -0.382 -11.097 125 HA CYS 19 HA CYS 19 -5.092 -2.704 -11.860 126 HB2 CYS 19 HB2 CYS 19 -8.010 -2.628 -11.096 127 HB3 CYS 19 HB3 CYS 19 -6.867 -3.950 -10.881 128 H ARG 20 H ARG 20 -5.736 -4.353 -13.337 129 HA ARG 20 HA ARG 20 -6.636 -3.320 -15.843 130 HB2 ARG 20 HB2 ARG 20 -6.061 -5.403 -16.751 131 HB3 ARG 20 HB3 ARG 20 -4.920 -5.184 -15.431 132 HG2 ARG 20 HG2 ARG 20 -6.630 -6.532 -14.040 133 HG3 ARG 20 HG3 ARG 20 -7.266 -7.025 -15.611 134 HD2 ARG 20 HD2 ARG 20 -4.462 -7.290 -15.741 135 HD3 ARG 20 HD3 ARG 20 -4.967 -7.989 -14.203 136 HE ARG 20 HE ARG 20 -6.662 -8.924 -16.237 137 HH11 ARG 20 HH11 ARG 20 -3.374 -9.222 -15.135 138 HH12 ARG 20 HH12 ARG 20 -3.172 -10.825 -15.761 139 HH21 ARG 20 HH21 ARG 20 -6.410 -11.035 -17.065 140 HH22 ARG 20 HH22 ARG 20 -4.899 -11.855 -16.859 141 H GLY 21 H GLY 21 -8.316 -4.611 -17.132 142 HA2 GLY 21 HA2 GLY 21 -10.670 -5.038 -15.396 143 HA3 GLY 21 HA3 GLY 21 -10.757 -4.319 -16.998 144 H ASP 22 H ASP 22 -12.455 -6.211 -16.838 145 HA ASP 22 HA ASP 22 -11.513 -8.864 -17.176 146 HB2 ASP 22 HB2 ASP 22 -14.090 -7.464 -17.309 147 HB3 ASP 22 HB3 ASP 22 -13.970 -8.842 -18.400 148 H MET 23 H MET 23 -12.197 -6.233 -19.393 149 HA MET 23 HA MET 23 -11.179 -7.910 -21.592 150 HB2 MET 23 HB2 MET 23 -13.232 -5.699 -21.794 151 HB3 MET 23 HB3 MET 23 -12.608 -6.652 -23.134 152 HG2 MET 23 HG2 MET 23 -13.643 -8.370 -21.078 153 HG3 MET 23 HG3 MET 23 -14.850 -7.180 -21.563 154 HE1 MET 23 HE1 MET 23 -13.845 -10.321 -21.705 155 HE2 MET 23 HE2 MET 23 -15.344 -10.655 -22.571 156 HE3 MET 23 HE3 MET 23 -13.789 -10.983 -23.338 157 H PHE 24 H PHE 24 -11.318 -4.714 -20.131 158 HA PHE 24 HA PHE 24 -8.761 -4.073 -21.376 159 HB2 PHE 24 HB2 PHE 24 -11.050 -2.107 -21.480 160 HB3 PHE 24 HB3 PHE 24 -9.462 -1.946 -22.224 161 HD1 PHE 24 HD1 PHE 24 -12.702 -3.675 -22.402 162 HD2 PHE 24 HD2 PHE 24 -8.971 -2.960 -24.321 163 HE1 PHE 24 HE1 PHE 24 -13.581 -4.670 -24.473 164 HE2 PHE 24 HE2 PHE 24 -9.844 -3.954 -26.396 165 HZ PHE 24 HZ PHE 24 -12.151 -4.810 -26.474 166 H LYS 25 H LYS 25 -7.444 -2.870 -20.100 167 HA LYS 25 HA LYS 25 -7.850 -2.736 -17.367 168 HB2 LYS 25 HB2 LYS 25 -5.855 -1.488 -17.236 169 HB3 LYS 25 HB3 LYS 25 -5.669 -2.493 -18.668 170 HG2 LYS 25 HG2 LYS 25 -6.538 -0.459 -19.966 171 HG3 LYS 25 HG3 LYS 25 -6.187 0.451 -18.495 172 HD2 LYS 25 HD2 LYS 25 -4.178 0.692 -19.533 173 HD3 LYS 25 HD3 LYS 25 -3.871 -0.846 -18.725 174 HE2 LYS 25 HE2 LYS 25 -3.877 -2.012 -20.660 175 HE3 LYS 25 HE3 LYS 25 -5.154 -1.028 -21.371 176 HZ1 LYS 25 HZ1 LYS 25 -2.949 0.619 -21.142 177 HZ2 LYS 25 HZ2 LYS 25 -3.594 -0.033 -22.562 178 HZ3 LYS 25 HZ3 LYS 25 -2.356 -0.846 -21.744 179 H TYR 26 H TYR 26 -7.975 -0.795 -15.980 180 HA TYR 26 HA TYR 26 -10.247 0.788 -16.705 181 HB2 TYR 26 HB2 TYR 26 -8.437 0.778 -14.290 182 HB3 TYR 26 HB3 TYR 26 -9.790 1.890 -14.461 183 HD1 TYR 26 HD1 TYR 26 -11.872 0.206 -15.624 184 HD2 TYR 26 HD2 TYR 26 -9.018 -0.708 -12.604 185 HE1 TYR 26 HE1 TYR 26 -13.391 -1.499 -14.713 186 HE2 TYR 26 HE2 TYR 26 -10.530 -2.417 -11.684 187 HH TYR 26 HH TYR 26 -13.253 -2.714 -11.792 188 H VAL 27 H VAL 27 -10.102 3.242 -16.092 189 HA VAL 27 HA VAL 27 -7.673 4.398 -17.288 190 HB VAL 27 HB VAL 27 -9.199 4.533 -19.072 191 HG11 VAL 27 HG11 VAL 27 -11.220 3.904 -17.892 192 HG12 VAL 27 HG12 VAL 27 -11.267 5.474 -17.087 193 HG13 VAL 27 HG13 VAL 27 -11.503 5.368 -18.832 194 HG21 VAL 27 HG21 VAL 27 -8.043 6.683 -18.348 195 HG22 VAL 27 HG22 VAL 27 -9.417 6.845 -19.441 196 HG23 VAL 27 HG23 VAL 27 -9.614 7.185 -17.723 197 H CYS 28 H CYS 28 -7.095 6.463 -16.567 198 HA CYS 28 HA CYS 28 -8.262 7.182 -13.979 199 HB2 CYS 28 HB2 CYS 28 -5.807 6.805 -14.138 200 HB3 CYS 28 HB3 CYS 28 -5.701 8.161 -15.257 201 H ASP 29 H ASP 29 -9.814 8.660 -14.031 202 HA ASP 29 HA ASP 29 -9.875 10.649 -16.162 203 HB2 ASP 29 HB2 ASP 29 -11.848 9.707 -14.105 204 HB3 ASP 29 HB3 ASP 29 -12.090 11.249 -14.921 205 H CYS 30 H CYS 30 -9.129 12.642 -15.911 206 HA CYS 30 HA CYS 30 -8.560 13.594 -13.189 207 HB2 CYS 30 HB2 CYS 30 -7.358 14.223 -15.874 208 HB3 CYS 30 HB3 CYS 30 -7.134 15.306 -14.505 209 H PHE 31 H PHE 31 -9.043 15.762 -12.611 210 HA PHE 31 HA PHE 31 -10.840 17.249 -14.361 211 HB2 PHE 31 HB2 PHE 31 -11.594 16.339 -11.578 212 HB3 PHE 31 HB3 PHE 31 -12.477 17.556 -12.495 213 HD1 PHE 31 HD2 PHE 31 -13.651 16.913 -14.580 214 HD2 PHE 31 HD1 PHE 31 -11.878 14.031 -11.998 215 HE1 PHE 31 HE2 PHE 31 -14.988 15.143 -15.643 216 HE2 PHE 31 HE1 PHE 31 -13.212 12.256 -13.058 217 HZ PHE 31 HZ PHE 31 -14.771 12.810 -14.882 218 H TYR 32 H TYR 32 -10.971 19.461 -13.892 219 HA TYR 32 HA TYR 32 -9.000 20.415 -11.919 220 HB2 TYR 32 HB2 TYR 32 -9.783 21.905 -14.420 221 HB3 TYR 32 HB3 TYR 32 -8.402 22.196 -13.369 222 HD1 TYR 32 HD2 TYR 32 -6.564 20.433 -13.295 223 HD2 TYR 32 HD1 TYR 32 -9.591 20.494 -16.284 224 HE1 TYR 32 HE2 TYR 32 -5.163 19.016 -14.735 225 HE2 TYR 32 HE1 TYR 32 -8.198 19.075 -17.731 226 HH TYR 32 HH TYR 32 -6.349 17.458 -17.495 227 HA PRO 33 HA PRO 33 -13.151 22.022 -10.654 228 HB2 PRO 33 HB2 PRO 33 -12.739 21.629 -8.000 229 HB3 PRO 33 HB3 PRO 33 -13.360 20.369 -9.073 230 HG2 PRO 33 HG2 PRO 33 -10.573 20.797 -8.068 231 HG3 PRO 33 HG3 PRO 33 -11.488 19.286 -8.216 232 HD2 PRO 33 HD2 PRO 33 -9.620 20.040 -10.025 233 HD3 PRO 33 HD3 PRO 33 -11.057 19.099 -10.473 234 H GLU 34 H GLU 34 -11.982 24.009 -11.473 235 HA GLU 34 HA GLU 34 -11.394 26.182 -11.142 236 HB2 GLU 34 HB2 GLU 34 -12.980 25.544 -8.963 237 HB3 GLU 34 HB3 GLU 34 -11.537 26.228 -8.229 238 HG2 GLU 34 HG2 GLU 34 -12.041 28.002 -10.236 239 HG3 GLU 34 HG3 GLU 34 -13.666 27.519 -9.753 240 H GLY 35 H GLY 35 -9.431 24.021 -11.022 241 HA2 GLY 35 HA2 GLY 35 -7.203 25.580 -10.093 242 HA3 GLY 35 HA3 GLY 35 -7.507 24.170 -9.088 243 H GLU 36 H GLU 36 -7.012 25.120 -12.477 244 HA GLU 36 HA GLU 36 -6.367 22.500 -13.362 245 HB2 GLU 36 HB2 GLU 36 -5.531 25.097 -14.655 246 HB3 GLU 36 HB3 GLU 36 -5.714 23.530 -15.430 247 HG2 GLU 36 HG2 GLU 36 -8.157 23.649 -14.823 248 HG3 GLU 36 HG3 GLU 36 -7.872 25.328 -14.370 249 H ASP 37 H ASP 37 -4.263 25.360 -12.990 250 HA ASP 37 HA ASP 37 -1.947 23.586 -12.801 251 HB2 ASP 37 HB2 ASP 37 -2.371 26.436 -13.507 252 HB3 ASP 37 HB3 ASP 37 -0.860 26.046 -12.691 253 H LYS 38 H LYS 38 -4.005 24.055 -10.643 254 HA LYS 38 HA LYS 38 -2.157 24.975 -8.539 255 HB2 LYS 38 HB2 LYS 38 -5.181 25.040 -8.512 256 HB3 LYS 38 HB3 LYS 38 -4.125 25.604 -7.222 257 HG2 LYS 38 HG2 LYS 38 -3.191 27.035 -9.330 258 HG3 LYS 38 HG3 LYS 38 -4.906 26.902 -9.729 259 HD2 LYS 38 HD2 LYS 38 -5.507 27.822 -7.565 260 HD3 LYS 38 HD3 LYS 38 -3.806 27.877 -7.092 261 HE2 LYS 38 HE2 LYS 38 -4.409 30.075 -7.751 262 HE3 LYS 38 HE3 LYS 38 -3.422 29.406 -9.050 263 HZ1 LYS 38 HZ1 LYS 38 -5.956 30.495 -9.259 264 HZ2 LYS 38 HZ2 LYS 38 -6.154 28.833 -9.504 265 HZ3 LYS 38 HZ3 LYS 38 -5.076 29.708 -10.472 266 H THR 39 H THR 39 -4.933 22.810 -9.097 267 HA THR 39 HA THR 39 -3.584 20.634 -7.784 268 HB THR 39 HB THR 39 -6.207 21.282 -6.520 269 HG1 THR 39 HG1 THR 39 -3.814 22.312 -5.421 270 HG21 THR 39 HG21 THR 39 -3.678 19.868 -5.701 271 HG22 THR 39 HG22 THR 39 -5.291 19.188 -5.914 272 HG23 THR 39 HG23 THR 39 -4.960 20.261 -4.554 273 H GLU 40 H GLU 40 -3.936 19.234 -9.411 274 HA GLU 40 HA GLU 40 -6.544 19.071 -10.681 275 HB2 GLU 40 HB2 GLU 40 -4.170 17.296 -11.229 276 HB3 GLU 40 HB3 GLU 40 -5.525 17.656 -12.290 277 HG2 GLU 40 HG2 GLU 40 -4.759 19.914 -12.589 278 HG3 GLU 40 HG3 GLU 40 -3.471 19.669 -11.410 279 H VAL 41 H VAL 41 -8.082 17.685 -10.113 280 HA VAL 41 HA VAL 41 -7.412 15.549 -8.215 281 HB VAL 41 HB VAL 41 -10.173 16.537 -8.917 282 HG11 VAL 41 HG11 VAL 41 -9.906 14.291 -7.841 283 HG12 VAL 41 HG12 VAL 41 -9.200 15.111 -6.448 284 HG13 VAL 41 HG13 VAL 41 -10.868 15.444 -6.916 285 HG21 VAL 41 HG21 VAL 41 -8.988 18.435 -8.067 286 HG22 VAL 41 HG22 VAL 41 -10.028 17.825 -6.780 287 HG23 VAL 41 HG23 VAL 41 -8.299 17.483 -6.752 288 H CYS 42 H CYS 42 -7.113 13.607 -9.072 289 HA CYS 42 HA CYS 42 -8.782 12.812 -11.368 290 HB2 CYS 42 HB2 CYS 42 -6.021 11.755 -10.745 291 HB3 CYS 42 HB3 CYS 42 -6.970 11.477 -12.203 292 H SER 43 H SER 43 -9.455 10.617 -11.465 293 HA SER 43 HA SER 43 -9.047 8.946 -9.122 294 HB2 SER 43 HB2 SER 43 -11.561 8.619 -8.903 295 HB3 SER 43 HB3 SER 43 -10.934 10.165 -8.333 296 HG SER 43 HG SER 43 -12.465 9.586 -10.608 297 H CYS 44 H CYS 44 -9.564 6.761 -9.458 298 HA CYS 44 HA CYS 44 -9.279 5.869 -12.138 299 HB2 CYS 44 HB2 CYS 44 -8.651 4.743 -9.820 300 HB3 CYS 44 HB3 CYS 44 -10.247 4.020 -10.004 301 H GLN 45 H GLN 45 -10.770 5.477 -13.633 302 HA GLN 45 HA GLN 45 -13.523 4.906 -12.796 303 HB2 GLN 45 HB2 GLN 45 -12.674 6.990 -14.809 304 HB3 GLN 45 HB3 GLN 45 -14.321 6.384 -14.677 305 HG2 GLN 45 HG2 GLN 45 -13.181 7.312 -12.149 306 HG3 GLN 45 HG3 GLN 45 -13.337 8.562 -13.381 307 HE21 GLN 45 HE21 GLN 45 -14.772 8.146 -10.843 308 HE22 GLN 45 HE22 GLN 45 -16.448 8.100 -11.262 309 H GLN 46 H GLN 46 -14.861 4.176 -14.741 310 HA GLN 46 HA GLN 46 -13.330 2.126 -16.116 311 HB2 GLN 46 HB2 GLN 46 -16.256 2.661 -15.719 312 HB3 GLN 46 HB3 GLN 46 -15.719 1.525 -16.949 313 HG2 GLN 46 HG2 GLN 46 -14.724 0.108 -15.336 314 HG3 GLN 46 HG3 GLN 46 -14.904 1.317 -14.066 315 HE21 GLN 46 HE21 GLN 46 -15.829 -1.388 -14.020 316 HE22 GLN 46 HE22 GLN 46 -17.549 -1.337 -13.859 317 HA PRO 47 HA PRO 47 -12.996 4.431 -19.870 318 HB2 PRO 47 HB2 PRO 47 -12.312 2.369 -21.498 319 HB3 PRO 47 HB3 PRO 47 -11.189 3.091 -20.340 320 HG2 PRO 47 HG2 PRO 47 -12.814 0.590 -20.094 321 HG3 PRO 47 HG3 PRO 47 -11.124 0.875 -19.639 322 HD2 PRO 47 HD2 PRO 47 -13.140 0.878 -17.832 323 HD3 PRO 47 HD3 PRO 47 -11.700 1.902 -17.657 324 H LYS 48 H LYS 48 -14.242 4.907 -21.632 325 HA LYS 48 HA LYS 48 -16.891 4.019 -21.729 326 HB2 LYS 48 HB2 LYS 48 -15.383 6.015 -22.958 327 HB3 LYS 48 HB3 LYS 48 -15.952 5.018 -24.291 328 HG2 LYS 48 HG2 LYS 48 -18.044 5.762 -24.097 329 HG3 LYS 48 HG3 LYS 48 -18.032 5.611 -22.339 330 HD2 LYS 48 HD2 LYS 48 -16.852 7.724 -22.140 331 HD3 LYS 48 HD3 LYS 48 -16.763 7.863 -23.898 332 HE2 LYS 48 HE2 LYS 48 -19.030 8.297 -24.105 333 HE3 LYS 48 HE3 LYS 48 -19.415 7.565 -22.548 334 HZ1 LYS 48 HZ1 LYS 48 -19.019 10.249 -23.089 335 HZ2 LYS 48 HZ2 LYS 48 -17.673 9.763 -22.188 336 HZ3 LYS 48 HZ3 LYS 48 -19.231 9.529 -21.572 337 H SER 49 H SER 49 -14.033 2.634 -23.005 338 HA SER 49 HA SER 49 -15.165 1.202 -25.180 339 HB2 SER 49 HB2 SER 49 -12.947 -0.247 -24.181 340 HB3 SER 49 HB3 SER 49 -12.983 0.860 -25.554 341 HG SER 49 HG SER 49 -11.691 2.018 -24.373 342 H HIS 50 H HIS 50 -14.048 0.004 -22.007 343 HA HIS 50 HA HIS 50 -15.281 -2.517 -22.252 344 HB2 HIS 50 HB2 HIS 50 -14.079 -2.913 -20.410 345 HB3 HIS 50 HB3 HIS 50 -13.616 -1.214 -20.385 346 HD1 HIS 50 HD1 HIS 50 -15.743 -3.707 -18.665 347 HD2 HIS 50 HD2 HIS 50 -15.138 0.403 -18.605 348 HE1 HIS 50 HE1 HIS 50 -16.858 -2.893 -16.562 349 H LYS 51 H LYS 51 -16.379 0.541 -20.910 350 HA LYS 51 HA LYS 51 -18.696 -0.415 -19.623 351 HB2 LYS 51 HB2 LYS 51 -17.439 2.026 -19.864 352 HB3 LYS 51 HB3 LYS 51 -18.931 2.272 -20.763 353 HG2 LYS 51 HG2 LYS 51 -20.055 2.531 -18.877 354 HG3 LYS 51 HG3 LYS 51 -19.543 0.935 -18.321 355 HD2 LYS 51 HD2 LYS 51 -18.551 2.119 -16.676 356 HD3 LYS 51 HD3 LYS 51 -17.285 2.351 -17.884 357 HE2 LYS 51 HE2 LYS 51 -17.582 4.540 -17.561 358 HE3 LYS 51 HE3 LYS 51 -19.086 4.353 -18.462 359 HZ1 LYS 51 HZ1 LYS 51 -19.401 5.481 -16.328 360 HZ2 LYS 51 HZ2 LYS 51 -18.833 4.113 -15.512 361 HZ3 LYS 51 HZ3 LYS 51 -20.268 4.030 -16.403 362 H ILE 52 H ILE 52 -18.497 1.389 -22.698 363 HA ILE 52 HA ILE 52 -21.122 0.903 -23.506 364 HB ILE 52 HB ILE 52 -18.686 1.386 -25.225 365 HG12 ILE 52 HG12 ILE 52 -19.188 3.164 -23.570 366 HG13 ILE 52 HG13 ILE 52 -19.399 3.710 -25.230 367 HG21 ILE 52 HG21 ILE 52 -21.618 1.352 -25.871 368 HG22 ILE 52 HG22 ILE 52 -20.452 2.240 -26.851 369 HG23 ILE 52 HG23 ILE 52 -20.304 0.492 -26.672 370 HD11 ILE 52 HD11 ILE 52 -21.222 3.886 -23.121 371 HD12 ILE 52 HD12 ILE 52 -21.492 4.283 -24.818 372 HD13 ILE 52 HD13 ILE 52 -21.868 2.668 -24.220 373 H ALA 53 H ALA 53 -18.254 -1.065 -23.767 374 HA ALA 53 HA ALA 53 -19.150 -2.864 -25.744 375 HB1 ALA 53 HB1 ALA 53 -17.095 -3.054 -23.567 376 HB2 ALA 53 HB2 ALA 53 -17.453 -4.424 -24.620 377 HB3 ALA 53 HB3 ALA 53 -16.857 -2.915 -25.309 378 H GLU 54 H GLU 54 -18.978 -3.355 -22.208 379 HA GLU 54 HA GLU 54 -20.480 -5.725 -22.191 380 HB2 GLU 54 HB2 GLU 54 -20.406 -5.605 -19.872 381 HB3 GLU 54 HB3 GLU 54 -18.995 -4.669 -20.345 382 HG2 GLU 54 HG2 GLU 54 -19.884 -3.281 -18.781 383 HG3 GLU 54 HG3 GLU 54 -20.686 -2.664 -20.224 384 H LYS 55 H LYS 55 -21.426 -2.375 -22.211 385 HA LYS 55 HA LYS 55 -24.089 -2.692 -21.320 386 HB2 LYS 55 HB2 LYS 55 -22.435 -0.576 -22.306 387 HB3 LYS 55 HB3 LYS 55 -23.967 -0.541 -23.171 388 HG2 LYS 55 HG2 LYS 55 -24.541 0.757 -21.411 389 HG3 LYS 55 HG3 LYS 55 -24.918 -0.816 -20.705 390 HD2 LYS 55 HD2 LYS 55 -23.197 -0.716 -19.241 391 HD3 LYS 55 HD3 LYS 55 -22.131 0.096 -20.390 392 HE2 LYS 55 HE2 LYS 55 -22.843 2.179 -19.786 393 HE3 LYS 55 HE3 LYS 55 -24.454 1.620 -19.344 394 HZ1 LYS 55 HZ1 LYS 55 -23.097 0.414 -17.465 395 HZ2 LYS 55 HZ2 LYS 55 -23.597 2.021 -17.294 396 HZ3 LYS 55 HZ3 LYS 55 -22.004 1.674 -17.748 397 H ILE 56 H ILE 56 -22.732 -2.442 -24.605 398 HA ILE 56 HA ILE 56 -25.179 -2.852 -25.949 399 HB ILE 56 HB ILE 56 -22.369 -3.396 -26.914 400 HG12 ILE 56 HG12 ILE 56 -24.074 -1.015 -27.599 401 HG13 ILE 56 HG13 ILE 56 -23.074 -1.024 -26.150 402 HG21 ILE 56 HG21 ILE 56 -23.697 -4.557 -28.415 403 HG22 ILE 56 HG22 ILE 56 -25.021 -3.400 -28.294 404 HG23 ILE 56 HG23 ILE 56 -23.556 -2.972 -29.176 405 HD11 ILE 56 HD11 ILE 56 -21.946 0.082 -27.988 406 HD12 ILE 56 HD12 ILE 56 -21.092 -1.391 -27.527 407 HD13 ILE 56 HD13 ILE 56 -22.098 -1.370 -28.976 408 H ILE 57 H ILE 57 -22.493 -5.097 -25.281 409 HA ILE 57 HA ILE 57 -23.585 -7.383 -26.409 410 HB ILE 57 HB ILE 57 -21.823 -7.188 -23.963 411 HG12 ILE 57 HG12 ILE 57 -20.895 -6.151 -26.016 412 HG13 ILE 57 HG13 ILE 57 -19.980 -7.566 -25.505 413 HG21 ILE 57 HG21 ILE 57 -22.304 -9.369 -23.761 414 HG22 ILE 57 HG22 ILE 57 -22.982 -9.469 -25.386 415 HG23 ILE 57 HG23 ILE 57 -21.237 -9.569 -25.151 416 HD11 ILE 57 HD11 ILE 57 -21.032 -8.903 -27.216 417 HD12 ILE 57 HD12 ILE 57 -22.046 -7.540 -27.690 418 HD13 ILE 57 HD13 ILE 57 -20.301 -7.466 -27.931 419 H ASP 58 H ASP 58 -23.944 -6.140 -23.104 420 HA ASP 58 HA ASP 58 -25.506 -8.261 -22.116 421 HB2 ASP 58 HB2 ASP 58 -25.156 -5.391 -21.283 422 HB3 ASP 58 HB3 ASP 58 -26.295 -6.446 -20.451 423 H LYS 59 H LYS 59 -26.545 -5.017 -23.180 424 HA LYS 59 HA LYS 59 -29.286 -5.443 -23.028 425 HB2 LYS 59 HB2 LYS 59 -27.718 -3.337 -23.711 426 HB3 LYS 59 HB3 LYS 59 -28.360 -3.776 -25.288 427 HG2 LYS 59 HG2 LYS 59 -30.325 -3.606 -23.099 428 HG3 LYS 59 HG3 LYS 59 -29.578 -2.086 -23.598 429 HD2 LYS 59 HD2 LYS 59 -30.825 -2.016 -25.441 430 HD3 LYS 59 HD3 LYS 59 -30.321 -3.644 -25.901 431 HE2 LYS 59 HE2 LYS 59 -32.098 -4.640 -24.748 432 HE3 LYS 59 HE3 LYS 59 -32.414 -3.188 -23.799 433 HZ1 LYS 59 HZ1 LYS 59 -33.381 -3.919 -26.405 434 HZ2 LYS 59 HZ2 LYS 59 -32.769 -2.344 -26.344 435 HZ3 LYS 59 HZ3 LYS 59 -34.009 -2.810 -25.291 436 H ALA 60 H ALA 60 -26.990 -6.498 -25.409 437 HA ALA 60 HA ALA 60 -28.943 -7.128 -27.421 438 HB1 ALA 60 HB1 ALA 60 -26.798 -6.627 -28.243 439 HB2 ALA 60 HB2 ALA 60 -26.017 -7.741 -27.120 440 HB3 ALA 60 HB3 ALA 60 -26.983 -8.368 -28.455 441 H LYS 61 H LYS 61 -26.778 -9.161 -25.439 442 HA LYS 61 HA LYS 61 -27.964 -11.606 -26.069 443 HB2 LYS 61 HB2 LYS 61 -26.809 -12.503 -24.142 444 HB3 LYS 61 HB3 LYS 61 -25.764 -11.346 -24.957 445 HG2 LYS 61 HG2 LYS 61 -26.437 -9.643 -23.279 446 HG3 LYS 61 HG3 LYS 61 -27.331 -10.904 -22.426 447 HD2 LYS 61 HD2 LYS 61 -24.470 -11.392 -23.088 448 HD3 LYS 61 HD3 LYS 61 -24.850 -10.287 -21.766 449 HE2 LYS 61 HE2 LYS 61 -25.704 -11.937 -20.450 450 HE3 LYS 61 HE3 LYS 61 -26.277 -12.884 -21.822 451 HZ1 LYS 61 HZ1 LYS 61 -23.570 -12.940 -22.078 452 HZ2 LYS 61 HZ2 LYS 61 -24.527 -14.178 -21.434 453 HZ3 LYS 61 HZ3 LYS 61 -23.795 -13.053 -20.405 454 H THR 62 H THR 62 -28.962 -9.109 -23.892 455 HA THR 62 HA THR 62 -30.730 -10.723 -22.323 456 HB THR 62 HB THR 62 -30.650 -7.722 -22.686 457 HG1 THR 62 HG1 THR 62 -29.737 -9.254 -20.473 458 HG21 THR 62 HG21 THR 62 -31.843 -7.852 -20.404 459 HG22 THR 62 HG22 THR 62 -32.242 -9.505 -20.871 460 HG23 THR 62 HG23 THR 62 -32.793 -8.153 -21.859 461 H THR 63 H THR 63 -30.941 -9.070 -25.356 462 HA THR 63 HA THR 63 -33.842 -9.124 -25.414 463 HB THR 63 HB THR 63 -31.940 -8.404 -27.650 464 HG1 THR 63 HG1 THR 63 -31.547 -6.796 -26.290 465 HG21 THR 63 HG21 THR 63 -34.692 -8.832 -27.671 466 HG22 THR 63 HG22 THR 63 -33.745 -7.993 -28.900 467 HG23 THR 63 HG23 THR 63 -34.513 -7.079 -27.603 468 H LEU 64 H LEU 64 -31.138 -10.948 -26.675 469 HA LEU 64 HA LEU 64 -32.874 -12.579 -28.352 470 HB2 LEU 64 HB2 LEU 64 -29.900 -12.530 -27.904 471 HB3 LEU 64 HB3 LEU 64 -30.701 -13.758 -28.883 472 HG LEU 64 HG LEU 64 -31.057 -10.857 -29.525 473 HD11 LEU 64 HD11 LEU 64 -28.870 -12.439 -30.796 474 HD12 LEU 64 HD12 LEU 64 -28.573 -11.606 -29.270 475 HD13 LEU 64 HD13 LEU 64 -29.081 -10.690 -30.689 476 HD21 LEU 64 HD21 LEU 64 -30.766 -12.927 -31.595 477 HD22 LEU 64 HD22 LEU 64 -31.923 -11.601 -31.465 478 HD23 LEU 64 HD23 LEU 64 -32.179 -13.088 -30.552 Start of MODEL 20 1 H1 ALA 1 H ALA 1 -2.865 -9.048 0.685 2 HA ALA 1 HA ALA 1 -5.374 -7.674 0.080 3 HB1 ALA 1 HB1 ALA 1 -4.354 -5.477 0.200 4 HB2 ALA 1 HB2 ALA 1 -4.239 -6.289 1.762 5 HB3 ALA 1 HB3 ALA 1 -2.826 -6.192 0.712 6 H LYS 2 H LYS 2 -5.396 -6.626 -1.977 7 HA LYS 2 HA LYS 2 -3.565 -7.881 -3.874 8 HB2 LYS 2 HB2 LYS 2 -5.170 -7.008 -5.584 9 HB3 LYS 2 HB3 LYS 2 -5.887 -8.117 -4.422 10 HG2 LYS 2 HG2 LYS 2 -6.117 -5.412 -3.486 11 HG3 LYS 2 HG3 LYS 2 -6.775 -5.561 -5.117 12 HD2 LYS 2 HD2 LYS 2 -7.480 -7.575 -3.019 13 HD3 LYS 2 HD3 LYS 2 -8.306 -6.017 -3.064 14 HE2 LYS 2 HE2 LYS 2 -9.374 -6.486 -5.022 15 HE3 LYS 2 HE3 LYS 2 -8.070 -7.515 -5.613 16 HZ1 LYS 2 HZ1 LYS 2 -9.514 -9.142 -5.119 17 HZ2 LYS 2 HZ2 LYS 2 -10.393 -8.200 -4.023 18 HZ3 LYS 2 HZ3 LYS 2 -8.952 -8.938 -3.536 19 H ALA 3 H ALA 3 -4.443 -4.742 -2.619 20 HA ALA 3 HA ALA 3 -3.494 -2.684 -2.826 21 HB1 ALA 3 HB1 ALA 3 -1.434 -4.065 -2.360 22 HB2 ALA 3 HB2 ALA 3 -1.136 -4.050 -4.099 23 HB3 ALA 3 HB3 ALA 3 -1.163 -2.536 -3.195 24 H CYS 4 H CYS 4 -5.227 -3.572 -4.886 25 HA CYS 4 HA CYS 4 -4.037 -2.601 -7.369 26 HB2 CYS 4 HB2 CYS 4 -6.418 -4.210 -6.649 27 HB3 CYS 4 HB3 CYS 4 -6.584 -3.165 -8.055 28 H THR 5 H THR 5 -5.090 -0.961 -8.641 29 HA THR 5 HA THR 5 -6.518 1.009 -6.976 30 HB THR 5 HB THR 5 -4.700 1.517 -9.340 31 HG1 THR 5 HG1 THR 5 -3.678 0.964 -7.296 32 HG21 THR 5 HG21 THR 5 -5.312 3.837 -7.768 33 HG22 THR 5 HG22 THR 5 -6.807 3.088 -8.327 34 HG23 THR 5 HG23 THR 5 -5.570 3.562 -9.490 35 HA PRO 6 HA PRO 6 -9.484 -0.289 -10.272 36 HB2 PRO 6 HB2 PRO 6 -11.657 -0.226 -8.645 37 HB3 PRO 6 HB3 PRO 6 -10.600 -1.638 -8.784 38 HG2 PRO 6 HG2 PRO 6 -10.646 0.495 -6.684 39 HG3 PRO 6 HG3 PRO 6 -10.473 -1.259 -6.494 40 HD2 PRO 6 HD2 PRO 6 -8.361 0.432 -6.398 41 HD3 PRO 6 HD3 PRO 6 -8.231 -1.222 -7.028 42 H LEU 7 H LEU 7 -11.886 0.801 -10.424 43 HA LEU 7 HA LEU 7 -11.439 3.453 -11.196 44 HB2 LEU 7 HB2 LEU 7 -13.269 1.844 -11.944 45 HB3 LEU 7 HB3 LEU 7 -14.135 2.332 -10.488 46 HG LEU 7 HG LEU 7 -13.713 4.749 -11.513 47 HD11 LEU 7 HD11 LEU 7 -13.618 2.875 -13.862 48 HD12 LEU 7 HD12 LEU 7 -12.481 4.154 -13.439 49 HD13 LEU 7 HD13 LEU 7 -14.102 4.566 -13.999 50 HD21 LEU 7 HD21 LEU 7 -15.895 4.100 -10.994 51 HD22 LEU 7 HD22 LEU 7 -15.864 2.750 -12.128 52 HD23 LEU 7 HD23 LEU 7 -15.945 4.406 -12.730 53 H LEU 8 H LEU 8 -12.126 5.429 -10.320 54 HA LEU 8 HA LEU 8 -12.518 6.971 -8.695 55 HB2 LEU 8 HB2 LEU 8 -13.694 4.834 -6.961 56 HB3 LEU 8 HB3 LEU 8 -14.120 6.542 -7.056 57 HG LEU 8 HG LEU 8 -14.766 4.421 -9.105 58 HD11 LEU 8 HD11 LEU 8 -16.014 4.635 -6.808 59 HD12 LEU 8 HD12 LEU 8 -16.912 4.396 -8.306 60 HD13 LEU 8 HD13 LEU 8 -16.788 6.008 -7.601 61 HD21 LEU 8 HD21 LEU 8 -16.183 6.311 -10.049 62 HD22 LEU 8 HD22 LEU 8 -14.443 6.405 -10.321 63 HD23 LEU 8 HD23 LEU 8 -15.194 7.395 -9.069 64 H HIS 9 H HIS 9 -10.015 6.219 -8.718 65 HA HIS 9 HA HIS 9 -9.278 6.198 -5.896 66 HB2 HIS 9 HB2 HIS 9 -8.606 4.062 -7.856 67 HB3 HIS 9 HB3 HIS 9 -7.338 4.563 -6.740 68 HD1 HIS 9 HD1 HIS 9 -7.370 3.483 -4.506 69 HD2 HIS 9 HD2 HIS 9 -11.040 3.193 -6.432 70 HE1 HIS 9 HE1 HIS 9 -8.792 2.024 -3.030 71 H ASP 10 H ASP 10 -6.917 6.692 -5.614 72 HA ASP 10 HA ASP 10 -6.235 8.919 -7.308 73 HB2 ASP 10 HB2 ASP 10 -4.266 9.117 -5.739 74 HB3 ASP 10 HB3 ASP 10 -5.849 9.217 -4.972 75 H CYS 11 H CYS 11 -5.211 8.660 -9.171 76 HA CYS 11 HA CYS 11 -3.153 6.558 -9.361 77 HB2 CYS 11 HB2 CYS 11 -3.698 6.322 -11.728 78 HB3 CYS 11 HB3 CYS 11 -5.130 6.044 -10.741 79 H SER 12 H SER 12 -3.394 9.691 -8.919 80 HA SER 12 HA SER 12 -2.004 10.944 -10.999 81 HB2 SER 12 HB2 SER 12 -3.197 12.117 -9.139 82 HB3 SER 12 HB3 SER 12 -1.875 11.665 -8.062 83 HG SER 12 HG SER 12 -0.519 12.762 -9.746 84 H HIS 13 H HIS 13 -0.909 8.884 -8.439 85 HA HIS 13 HA HIS 13 1.862 9.639 -8.655 86 HB2 HIS 13 HB2 HIS 13 0.349 7.535 -7.147 87 HB3 HIS 13 HB3 HIS 13 2.102 7.431 -7.277 88 HD1 HIS 13 HD1 HIS 13 2.884 10.350 -6.888 89 HD2 HIS 13 HD2 HIS 13 -0.004 8.420 -4.607 90 HE1 HIS 13 HE1 HIS 13 2.744 11.651 -4.739 91 H ASP 14 H ASP 14 -0.261 7.505 -10.285 92 HA ASP 14 HA ASP 14 1.791 6.724 -12.122 93 HB2 ASP 14 HB2 ASP 14 0.896 4.850 -10.005 94 HB3 ASP 14 HB3 ASP 14 1.009 4.191 -11.635 95 H ARG 15 H ARG 15 0.857 6.745 -14.049 96 HA ARG 15 HA ARG 15 -2.017 6.684 -14.283 97 HB2 ARG 15 HB2 ARG 15 0.036 6.823 -16.494 98 HB3 ARG 15 HB3 ARG 15 -1.665 7.254 -16.600 99 HG2 ARG 15 HG2 ARG 15 -1.361 9.178 -15.266 100 HG3 ARG 15 HG3 ARG 15 0.255 8.667 -14.773 101 HD2 ARG 15 HD2 ARG 15 1.143 9.725 -16.510 102 HD3 ARG 15 HD3 ARG 15 0.157 8.772 -17.618 103 HE ARG 15 HE ARG 15 -1.129 10.620 -17.944 104 HH11 ARG 15 HH11 ARG 15 0.486 10.935 -14.877 105 HH12 ARG 15 HH12 ARG 15 -0.118 12.531 -14.575 106 HH21 ARG 15 HH21 ARG 15 -1.932 12.721 -17.558 107 HH22 ARG 15 HH22 ARG 15 -1.494 13.545 -16.100 108 H HIS 16 H HIS 16 0.465 4.395 -14.364 109 HA HIS 16 HA HIS 16 -1.245 2.495 -15.833 110 HB2 HIS 16 HB2 HIS 16 1.714 2.871 -15.758 111 HB3 HIS 16 HB3 HIS 16 1.091 1.235 -15.947 112 HD1 HIS 16 HD1 HIS 16 0.812 0.557 -18.298 113 HD2 HIS 16 HD2 HIS 16 0.420 4.667 -17.828 114 HE1 HIS 16 HE1 HIS 16 0.458 1.469 -20.615 115 H SER 17 H SER 17 -1.332 3.215 -12.977 116 HA SER 17 HA SER 17 -0.315 0.827 -11.650 117 HB2 SER 17 HB2 SER 17 -1.280 1.990 -9.588 118 HB3 SER 17 HB3 SER 17 0.066 2.800 -10.389 119 HG SER 17 HG SER 17 -2.649 3.404 -10.930 120 H CYS 18 H CYS 18 -3.352 2.336 -12.565 121 HA CYS 18 HA CYS 18 -5.171 0.838 -11.132 122 HB2 CYS 18 HB2 CYS 18 -5.308 1.978 -13.920 123 HB3 CYS 18 HB3 CYS 18 -6.681 1.167 -13.173 124 H CYS 19 H CYS 19 -5.909 -1.200 -11.180 125 HA CYS 19 HA CYS 19 -4.527 -3.128 -12.816 126 HB2 CYS 19 HB2 CYS 19 -6.613 -3.328 -10.654 127 HB3 CYS 19 HB3 CYS 19 -6.118 -4.736 -11.587 128 H ARG 20 H ARG 20 -6.043 -4.998 -13.673 129 HA ARG 20 HA ARG 20 -7.547 -3.843 -15.810 130 HB2 ARG 20 HB2 ARG 20 -6.228 -5.895 -16.109 131 HB3 ARG 20 HB3 ARG 20 -7.269 -6.733 -14.965 132 HG2 ARG 20 HG2 ARG 20 -9.128 -6.607 -16.443 133 HG3 ARG 20 HG3 ARG 20 -8.264 -5.515 -17.527 134 HD2 ARG 20 HD2 ARG 20 -7.554 -7.284 -18.668 135 HD3 ARG 20 HD3 ARG 20 -6.642 -7.789 -17.247 136 HE ARG 20 HE ARG 20 -9.408 -8.572 -17.192 137 HH11 ARG 20 HH11 ARG 20 -6.205 -9.427 -18.256 138 HH12 ARG 20 HH12 ARG 20 -6.544 -11.124 -18.336 139 HH21 ARG 20 HH21 ARG 20 -9.866 -10.804 -17.293 140 HH22 ARG 20 HH22 ARG 20 -8.626 -11.906 -17.789 141 H GLY 21 H GLY 21 -9.774 -4.210 -16.294 142 HA2 GLY 21 HA2 GLY 21 -11.420 -4.280 -13.871 143 HA3 GLY 21 HA3 GLY 21 -11.918 -3.666 -15.440 144 H ASP 22 H ASP 22 -13.859 -4.947 -15.043 145 HA ASP 22 HA ASP 22 -13.636 -7.819 -15.048 146 HB2 ASP 22 HB2 ASP 22 -15.524 -6.237 -14.062 147 HB3 ASP 22 HB3 ASP 22 -16.208 -6.441 -15.671 148 H MET 23 H MET 23 -14.289 -5.284 -17.385 149 HA MET 23 HA MET 23 -14.373 -7.336 -19.500 150 HB2 MET 23 HB2 MET 23 -15.646 -4.594 -19.534 151 HB3 MET 23 HB3 MET 23 -15.716 -5.780 -20.831 152 HG2 MET 23 HG2 MET 23 -16.890 -7.319 -19.272 153 HG3 MET 23 HG3 MET 23 -16.936 -6.010 -18.093 154 HE1 MET 23 HE1 MET 23 -20.291 -6.120 -18.508 155 HE2 MET 23 HE2 MET 23 -20.253 -7.148 -19.940 156 HE3 MET 23 HE3 MET 23 -19.156 -7.468 -18.594 157 H PHE 24 H PHE 24 -13.243 -4.109 -18.606 158 HA PHE 24 HA PHE 24 -10.984 -4.446 -20.424 159 HB2 PHE 24 HB2 PHE 24 -12.577 -1.881 -20.400 160 HB3 PHE 24 HB3 PHE 24 -11.248 -2.311 -21.472 161 HD1 PHE 24 HD1 PHE 24 -14.783 -2.924 -20.675 162 HD2 PHE 24 HD2 PHE 24 -11.603 -3.650 -23.409 163 HE1 PHE 24 HE1 PHE 24 -16.396 -3.801 -22.313 164 HE2 PHE 24 HE2 PHE 24 -13.210 -4.528 -25.052 165 HZ PHE 24 HZ PHE 24 -15.610 -4.604 -24.505 166 H LYS 25 H LYS 25 -9.185 -3.070 -19.934 167 HA LYS 25 HA LYS 25 -8.783 -2.712 -17.151 168 HB2 LYS 25 HB2 LYS 25 -7.087 -3.126 -19.133 169 HB3 LYS 25 HB3 LYS 25 -7.025 -1.369 -19.161 170 HG2 LYS 25 HG2 LYS 25 -6.731 -1.958 -16.491 171 HG3 LYS 25 HG3 LYS 25 -5.836 -3.250 -17.294 172 HD2 LYS 25 HD2 LYS 25 -4.994 -1.112 -18.717 173 HD3 LYS 25 HD3 LYS 25 -5.279 -0.357 -17.147 174 HE2 LYS 25 HE2 LYS 25 -3.673 -1.640 -16.093 175 HE3 LYS 25 HE3 LYS 25 -3.761 -2.925 -17.297 176 HZ1 LYS 25 HZ1 LYS 25 -1.776 -1.908 -17.798 177 HZ2 LYS 25 HZ2 LYS 25 -2.335 -0.355 -17.433 178 HZ3 LYS 25 HZ3 LYS 25 -2.825 -1.115 -18.863 179 H TYR 26 H TYR 26 -8.194 -0.709 -16.074 180 HA TYR 26 HA TYR 26 -9.981 1.450 -16.857 181 HB2 TYR 26 HB2 TYR 26 -8.286 1.127 -14.372 182 HB3 TYR 26 HB3 TYR 26 -9.502 2.372 -14.634 183 HD1 TYR 26 HD1 TYR 26 -11.721 0.861 -15.798 184 HD2 TYR 26 HD2 TYR 26 -9.084 -0.183 -12.627 185 HE1 TYR 26 HE1 TYR 26 -13.446 -0.620 -14.859 186 HE2 TYR 26 HE2 TYR 26 -10.802 -1.668 -11.679 187 HH TYR 26 HH TYR 26 -13.377 -1.800 -11.779 188 H VAL 27 H VAL 27 -9.224 3.709 -16.700 189 HA VAL 27 HA VAL 27 -6.398 4.008 -17.475 190 HB VAL 27 HB VAL 27 -7.540 4.223 -19.531 191 HG11 VAL 27 HG11 VAL 27 -9.432 6.027 -19.643 192 HG12 VAL 27 HG12 VAL 27 -9.793 4.392 -19.089 193 HG13 VAL 27 HG13 VAL 27 -9.576 5.693 -17.918 194 HG21 VAL 27 HG21 VAL 27 -7.333 7.078 -18.621 195 HG22 VAL 27 HG22 VAL 27 -5.909 6.065 -18.856 196 HG23 VAL 27 HG23 VAL 27 -6.985 6.402 -20.212 197 H CYS 28 H CYS 28 -5.407 5.974 -16.918 198 HA CYS 28 HA CYS 28 -6.601 7.263 -14.604 199 HB2 CYS 28 HB2 CYS 28 -4.187 6.491 -14.695 200 HB3 CYS 28 HB3 CYS 28 -3.892 7.814 -15.818 201 H ASP 29 H ASP 29 -7.694 9.100 -14.719 202 HA ASP 29 HA ASP 29 -7.198 10.891 -17.008 203 HB2 ASP 29 HB2 ASP 29 -9.729 9.918 -15.786 204 HB3 ASP 29 HB3 ASP 29 -9.692 11.592 -16.335 205 H CYS 30 H CYS 30 -6.902 13.028 -16.611 206 HA CYS 30 HA CYS 30 -7.006 13.879 -13.790 207 HB2 CYS 30 HB2 CYS 30 -5.122 14.929 -15.907 208 HB3 CYS 30 HB3 CYS 30 -5.095 15.294 -14.185 209 H PHE 31 H PHE 31 -8.097 15.696 -13.306 210 HA PHE 31 HA PHE 31 -8.820 17.567 -15.423 211 HB2 PHE 31 HB2 PHE 31 -10.763 15.906 -13.854 212 HB3 PHE 31 HB3 PHE 31 -11.224 17.517 -14.397 213 HD1 PHE 31 HD2 PHE 31 -10.636 17.961 -16.967 214 HD2 PHE 31 HD1 PHE 31 -11.315 14.145 -15.207 215 HE1 PHE 31 HE2 PHE 31 -11.223 17.049 -19.177 216 HE2 PHE 31 HE1 PHE 31 -11.901 13.228 -17.413 217 HZ PHE 31 HZ PHE 31 -11.855 14.680 -19.401 218 H TYR 32 H TYR 32 -10.389 19.303 -14.235 219 HA TYR 32 HA TYR 32 -8.890 20.129 -11.840 220 HB2 TYR 32 HB2 TYR 32 -10.504 22.059 -13.456 221 HB3 TYR 32 HB3 TYR 32 -9.050 22.340 -12.504 222 HD1 TYR 32 HD2 TYR 32 -6.834 21.592 -13.410 223 HD2 TYR 32 HD1 TYR 32 -10.375 21.554 -15.766 224 HE1 TYR 32 HE2 TYR 32 -5.468 21.467 -15.451 225 HE2 TYR 32 HE1 TYR 32 -9.020 21.428 -17.814 226 HH TYR 32 HH TYR 32 -5.476 21.512 -17.677 227 HA PRO 33 HA PRO 33 -12.508 20.050 -9.359 228 HB2 PRO 33 HB2 PRO 33 -12.120 22.201 -7.748 229 HB3 PRO 33 HB3 PRO 33 -11.184 20.709 -7.601 230 HG2 PRO 33 HG2 PRO 33 -10.450 23.281 -8.946 231 HG3 PRO 33 HG3 PRO 33 -9.461 22.240 -7.905 232 HD2 PRO 33 HD2 PRO 33 -9.257 22.214 -10.604 233 HD3 PRO 33 HD3 PRO 33 -8.988 20.767 -9.612 234 H GLU 34 H GLU 34 -12.002 22.441 -11.635 235 HA GLU 34 HA GLU 34 -13.483 23.750 -12.785 236 HB2 GLU 34 HB2 GLU 34 -15.149 21.932 -11.565 237 HB3 GLU 34 HB3 GLU 34 -15.774 23.467 -10.981 238 HG2 GLU 34 HG2 GLU 34 -15.339 23.807 -13.727 239 HG3 GLU 34 HG3 GLU 34 -16.098 22.226 -13.539 240 H GLY 35 H GLY 35 -11.830 24.644 -10.566 241 HA2 GLY 35 HA2 GLY 35 -12.748 27.298 -10.352 242 HA3 GLY 35 HA3 GLY 35 -13.144 26.445 -8.868 243 H GLU 36 H GLU 36 -11.106 24.963 -8.209 244 HA GLU 36 HA GLU 36 -8.909 26.883 -7.918 245 HB2 GLU 36 HB2 GLU 36 -9.420 24.340 -6.367 246 HB3 GLU 36 HB3 GLU 36 -8.218 25.569 -5.996 247 HG2 GLU 36 HG2 GLU 36 -11.111 26.292 -6.115 248 HG3 GLU 36 HG3 GLU 36 -10.447 25.508 -4.683 249 H ASP 37 H ASP 37 -8.358 26.284 -10.212 250 HA ASP 37 HA ASP 37 -7.226 23.692 -10.694 251 HB2 ASP 37 HB2 ASP 37 -8.243 25.062 -12.493 252 HB3 ASP 37 HB3 ASP 37 -6.943 26.236 -12.309 253 H LYS 38 H LYS 38 -5.936 24.184 -8.548 254 HA LYS 38 HA LYS 38 -3.400 25.513 -9.179 255 HB2 LYS 38 HB2 LYS 38 -4.380 24.474 -6.515 256 HB3 LYS 38 HB3 LYS 38 -2.959 25.474 -6.793 257 HG2 LYS 38 HG2 LYS 38 -4.602 27.193 -7.754 258 HG3 LYS 38 HG3 LYS 38 -5.850 26.232 -6.957 259 HD2 LYS 38 HD2 LYS 38 -4.438 26.458 -4.845 260 HD3 LYS 38 HD3 LYS 38 -3.545 27.709 -5.713 261 HE2 LYS 38 HE2 LYS 38 -5.485 29.062 -5.926 262 HE3 LYS 38 HE3 LYS 38 -6.538 27.754 -5.389 263 HZ1 LYS 38 HZ1 LYS 38 -6.305 29.169 -3.558 264 HZ2 LYS 38 HZ2 LYS 38 -4.637 29.345 -3.775 265 HZ3 LYS 38 HZ3 LYS 38 -5.267 27.875 -3.224 266 H THR 39 H THR 39 -4.807 22.427 -8.903 267 HA THR 39 HA THR 39 -2.302 21.148 -9.508 268 HB THR 39 HB THR 39 -3.647 19.961 -7.123 269 HG1 THR 39 HG1 THR 39 -1.599 21.879 -6.781 270 HG21 THR 39 HG21 THR 39 -1.279 19.329 -6.625 271 HG22 THR 39 HG22 THR 39 -0.812 20.083 -8.148 272 HG23 THR 39 HG23 THR 39 -1.891 18.688 -8.148 273 H GLU 40 H GLU 40 -3.004 20.079 -11.252 274 HA GLU 40 HA GLU 40 -5.556 19.188 -11.797 275 HB2 GLU 40 HB2 GLU 40 -3.011 17.841 -12.713 276 HB3 GLU 40 HB3 GLU 40 -4.580 17.776 -13.506 277 HG2 GLU 40 HG2 GLU 40 -4.295 20.382 -13.577 278 HG3 GLU 40 HG3 GLU 40 -2.586 19.980 -13.418 279 H VAL 41 H VAL 41 -6.807 17.636 -11.002 280 HA VAL 41 HA VAL 41 -5.638 15.669 -9.184 281 HB VAL 41 HB VAL 41 -8.563 16.182 -9.724 282 HG11 VAL 41 HG11 VAL 41 -7.332 14.972 -7.267 283 HG12 VAL 41 HG12 VAL 41 -9.011 14.912 -7.805 284 HG13 VAL 41 HG13 VAL 41 -7.774 13.993 -8.665 285 HG21 VAL 41 HG21 VAL 41 -8.145 18.179 -8.771 286 HG22 VAL 41 HG22 VAL 41 -8.111 17.246 -7.275 287 HG23 VAL 41 HG23 VAL 41 -6.603 17.652 -8.096 288 H CYS 42 H CYS 42 -5.184 13.693 -9.870 289 HA CYS 42 HA CYS 42 -6.492 12.695 -12.301 290 HB2 CYS 42 HB2 CYS 42 -3.983 11.709 -10.928 291 HB3 CYS 42 HB3 CYS 42 -4.623 11.121 -12.460 292 H SER 43 H SER 43 -7.795 10.964 -12.266 293 HA SER 43 HA SER 43 -7.819 9.237 -9.899 294 HB2 SER 43 HB2 SER 43 -10.449 9.324 -10.274 295 HB3 SER 43 HB3 SER 43 -9.630 10.498 -9.246 296 HG SER 43 HG SER 43 -9.951 11.012 -11.992 297 H CYS 44 H CYS 44 -8.829 7.172 -10.247 298 HA CYS 44 HA CYS 44 -8.270 6.115 -12.843 299 HB2 CYS 44 HB2 CYS 44 -8.164 5.003 -10.438 300 HB3 CYS 44 HB3 CYS 44 -9.822 4.553 -10.826 301 H GLN 45 H GLN 45 -9.580 6.260 -14.529 302 HA GLN 45 HA GLN 45 -12.489 6.232 -14.059 303 HB2 GLN 45 HB2 GLN 45 -10.934 7.647 -16.230 304 HB3 GLN 45 HB3 GLN 45 -12.688 7.549 -16.163 305 HG2 GLN 45 HG2 GLN 45 -11.029 8.754 -13.968 306 HG3 GLN 45 HG3 GLN 45 -11.665 9.684 -15.322 307 HE21 GLN 45 HE21 GLN 45 -12.595 7.608 -12.632 308 HE22 GLN 45 HE22 GLN 45 -14.159 8.305 -12.397 309 H GLN 46 H GLN 46 -13.623 5.675 -16.290 310 HA GLN 46 HA GLN 46 -12.660 3.021 -16.967 311 HB2 GLN 46 HB2 GLN 46 -15.221 4.423 -17.021 312 HB3 GLN 46 HB3 GLN 46 -14.941 3.457 -18.464 313 HG2 GLN 46 HG2 GLN 46 -14.892 1.473 -17.293 314 HG3 GLN 46 HG3 GLN 46 -14.485 2.263 -15.770 315 HE21 GLN 46 HE21 GLN 46 -16.238 0.848 -15.003 316 HE22 GLN 46 HE22 GLN 46 -17.862 1.430 -15.101 317 HA PRO 47 HA PRO 47 -10.937 3.963 -20.890 318 HB2 PRO 47 HB2 PRO 47 -11.638 1.778 -22.340 319 HB3 PRO 47 HB3 PRO 47 -10.408 1.735 -21.071 320 HG2 PRO 47 HG2 PRO 47 -13.284 0.909 -20.952 321 HG3 PRO 47 HG3 PRO 47 -11.856 0.091 -20.289 322 HD2 PRO 47 HD2 PRO 47 -13.514 1.591 -18.764 323 HD3 PRO 47 HD3 PRO 47 -11.774 1.461 -18.438 324 H LYS 48 H LYS 48 -11.472 4.098 -23.269 325 HA LYS 48 HA LYS 48 -13.703 5.726 -23.681 326 HB2 LYS 48 HB2 LYS 48 -11.470 5.016 -25.142 327 HB3 LYS 48 HB3 LYS 48 -12.790 4.338 -26.088 328 HG2 LYS 48 HG2 LYS 48 -13.776 6.438 -26.424 329 HG3 LYS 48 HG3 LYS 48 -12.819 7.185 -25.143 330 HD2 LYS 48 HD2 LYS 48 -10.809 6.977 -26.457 331 HD3 LYS 48 HD3 LYS 48 -11.672 6.069 -27.701 332 HE2 LYS 48 HE2 LYS 48 -13.141 8.095 -27.994 333 HE3 LYS 48 HE3 LYS 48 -12.017 8.965 -26.952 334 HZ1 LYS 48 HZ1 LYS 48 -11.570 9.259 -29.344 335 HZ2 LYS 48 HZ2 LYS 48 -11.248 7.604 -29.476 336 HZ3 LYS 48 HZ3 LYS 48 -10.260 8.584 -28.513 337 H SER 49 H SER 49 -13.412 2.302 -23.648 338 HA SER 49 HA SER 49 -15.720 1.741 -25.249 339 HB2 SER 49 HB2 SER 49 -14.350 -0.064 -23.243 340 HB3 SER 49 HB3 SER 49 -15.421 -0.559 -24.553 341 HG SER 49 HG SER 49 -13.799 0.460 -25.970 342 H HIS 50 H HIS 50 -15.057 1.551 -21.753 343 HA HIS 50 HA HIS 50 -17.704 0.946 -20.998 344 HB2 HIS 50 HB2 HIS 50 -15.241 1.848 -19.602 345 HB3 HIS 50 HB3 HIS 50 -16.768 2.088 -18.760 346 HD1 HIS 50 HD1 HIS 50 -18.260 -0.202 -18.541 347 HD2 HIS 50 HD2 HIS 50 -14.199 -0.635 -19.303 348 HE1 HIS 50 HE1 HIS 50 -17.708 -2.575 -17.917 349 H LYS 51 H LYS 51 -16.019 3.974 -21.528 350 HA LYS 51 HA LYS 51 -18.024 5.645 -20.384 351 HB2 LYS 51 HB2 LYS 51 -15.944 6.678 -20.515 352 HB3 LYS 51 HB3 LYS 51 -15.643 6.090 -22.145 353 HG2 LYS 51 HG2 LYS 51 -17.938 7.895 -21.916 354 HG3 LYS 51 HG3 LYS 51 -16.382 8.625 -21.512 355 HD2 LYS 51 HD2 LYS 51 -16.045 7.044 -23.853 356 HD3 LYS 51 HD3 LYS 51 -17.465 8.068 -24.078 357 HE2 LYS 51 HE2 LYS 51 -15.056 9.339 -22.915 358 HE3 LYS 51 HE3 LYS 51 -14.976 8.887 -24.617 359 HZ1 LYS 51 HZ1 LYS 51 -15.841 10.980 -24.758 360 HZ2 LYS 51 HZ2 LYS 51 -16.691 10.869 -23.299 361 HZ3 LYS 51 HZ3 LYS 51 -17.276 10.086 -24.680 362 H ILE 52 H ILE 52 -17.105 5.081 -23.787 363 HA ILE 52 HA ILE 52 -19.221 6.448 -24.959 364 HB ILE 52 HB ILE 52 -17.652 4.075 -25.957 365 HG12 ILE 52 HG12 ILE 52 -16.430 6.209 -25.617 366 HG13 ILE 52 HG13 ILE 52 -16.488 5.724 -27.308 367 HG21 ILE 52 HG21 ILE 52 -19.506 3.848 -27.283 368 HG22 ILE 52 HG22 ILE 52 -19.912 5.562 -27.200 369 HG23 ILE 52 HG23 ILE 52 -18.584 5.018 -28.227 370 HD11 ILE 52 HD11 ILE 52 -18.730 7.386 -26.754 371 HD12 ILE 52 HD12 ILE 52 -17.266 8.173 -26.165 372 HD13 ILE 52 HD13 ILE 52 -17.378 7.668 -27.851 373 H ALA 53 H ALA 53 -18.987 3.010 -24.092 374 HA ALA 53 HA ALA 53 -21.508 2.233 -25.047 375 HB1 ALA 53 HB1 ALA 53 -19.841 0.586 -24.512 376 HB2 ALA 53 HB2 ALA 53 -19.839 1.079 -22.818 377 HB3 ALA 53 HB3 ALA 53 -21.264 0.303 -23.509 378 H GLU 54 H GLU 54 -20.496 3.209 -21.775 379 HA GLU 54 HA GLU 54 -22.899 2.915 -20.452 380 HB2 GLU 54 HB2 GLU 54 -20.533 4.686 -20.090 381 HB3 GLU 54 HB3 GLU 54 -21.983 5.065 -19.171 382 HG2 GLU 54 HG2 GLU 54 -21.056 2.256 -19.132 383 HG3 GLU 54 HG3 GLU 54 -20.084 3.444 -18.266 384 H LYS 55 H LYS 55 -21.711 5.815 -22.143 385 HA LYS 55 HA LYS 55 -23.938 7.438 -21.697 386 HB2 LYS 55 HB2 LYS 55 -22.055 7.414 -24.064 387 HB3 LYS 55 HB3 LYS 55 -23.164 8.720 -23.669 388 HG2 LYS 55 HG2 LYS 55 -20.959 7.769 -21.854 389 HG3 LYS 55 HG3 LYS 55 -20.814 9.125 -22.975 390 HD2 LYS 55 HD2 LYS 55 -21.555 10.395 -21.290 391 HD3 LYS 55 HD3 LYS 55 -23.140 9.688 -21.612 392 HE2 LYS 55 HE2 LYS 55 -22.940 9.242 -19.375 393 HE3 LYS 55 HE3 LYS 55 -22.237 7.774 -20.050 394 HZ1 LYS 55 HZ1 LYS 55 -20.543 10.095 -19.377 395 HZ2 LYS 55 HZ2 LYS 55 -20.097 8.473 -19.546 396 HZ3 LYS 55 HZ3 LYS 55 -20.982 8.969 -18.192 397 H ILE 56 H ILE 56 -23.177 5.489 -24.587 398 HA ILE 56 HA ILE 56 -25.484 5.958 -26.028 399 HB ILE 56 HB ILE 56 -23.835 3.436 -25.886 400 HG12 ILE 56 HG12 ILE 56 -22.687 5.506 -26.663 401 HG13 ILE 56 HG13 ILE 56 -22.785 4.262 -27.904 402 HG21 ILE 56 HG21 ILE 56 -24.914 3.190 -28.266 403 HG22 ILE 56 HG22 ILE 56 -25.750 2.603 -26.829 404 HG23 ILE 56 HG23 ILE 56 -26.203 4.152 -27.542 405 HD11 ILE 56 HD11 ILE 56 -24.625 5.427 -28.959 406 HD12 ILE 56 HD12 ILE 56 -24.605 6.647 -27.685 407 HD13 ILE 56 HD13 ILE 56 -23.234 6.497 -28.784 408 H ILE 57 H ILE 57 -24.887 3.257 -23.777 409 HA ILE 57 HA ILE 57 -27.426 2.109 -23.928 410 HB ILE 57 HB ILE 57 -25.487 2.130 -21.613 411 HG12 ILE 57 HG12 ILE 57 -24.648 1.138 -23.730 412 HG13 ILE 57 HG13 ILE 57 -24.801 -0.048 -22.439 413 HG21 ILE 57 HG21 ILE 57 -27.310 1.395 -20.493 414 HG22 ILE 57 HG22 ILE 57 -28.142 0.886 -21.961 415 HG23 ILE 57 HG23 ILE 57 -26.882 -0.131 -21.265 416 HD11 ILE 57 HD11 ILE 57 -25.565 -0.940 -24.563 417 HD12 ILE 57 HD12 ILE 57 -26.893 -0.833 -23.408 418 HD13 ILE 57 HD13 ILE 57 -26.747 0.362 -24.696 419 H ASP 58 H ASP 58 -26.155 4.463 -21.579 420 HA ASP 58 HA ASP 58 -28.407 4.745 -19.993 421 HB2 ASP 58 HB2 ASP 58 -26.162 6.596 -20.718 422 HB3 ASP 58 HB3 ASP 58 -27.505 7.191 -19.745 423 H LYS 59 H LYS 59 -27.510 6.701 -22.835 424 HA LYS 59 HA LYS 59 -29.869 8.238 -22.876 425 HB2 LYS 59 HB2 LYS 59 -27.533 8.415 -24.176 426 HB3 LYS 59 HB3 LYS 59 -28.487 7.656 -25.442 427 HG2 LYS 59 HG2 LYS 59 -29.129 9.706 -26.000 428 HG3 LYS 59 HG3 LYS 59 -30.124 9.682 -24.543 429 HD2 LYS 59 HD2 LYS 59 -28.018 10.510 -23.330 430 HD3 LYS 59 HD3 LYS 59 -27.399 10.880 -24.942 431 HE2 LYS 59 HE2 LYS 59 -29.050 12.480 -25.338 432 HE3 LYS 59 HE3 LYS 59 -30.095 11.853 -24.063 433 HZ1 LYS 59 HZ1 LYS 59 -27.461 13.065 -23.474 434 HZ2 LYS 59 HZ2 LYS 59 -28.749 12.790 -22.413 435 HZ3 LYS 59 HZ3 LYS 59 -28.867 13.998 -23.591 436 H ALA 60 H ALA 60 -29.065 5.106 -24.212 437 HA ALA 60 HA ALA 60 -31.190 4.836 -26.025 438 HB1 ALA 60 HB1 ALA 60 -29.235 3.345 -25.965 439 HB2 ALA 60 HB2 ALA 60 -29.823 2.657 -24.451 440 HB3 ALA 60 HB3 ALA 60 -30.758 2.455 -25.934 441 H LYS 61 H LYS 61 -30.921 3.787 -22.633 442 HA LYS 61 HA LYS 61 -33.587 2.812 -22.482 443 HB2 LYS 61 HB2 LYS 61 -31.819 3.695 -20.196 444 HB3 LYS 61 HB3 LYS 61 -33.194 2.601 -20.108 445 HG2 LYS 61 HG2 LYS 61 -30.641 2.054 -21.609 446 HG3 LYS 61 HG3 LYS 61 -31.038 1.430 -20.005 447 HD2 LYS 61 HD2 LYS 61 -32.820 0.957 -22.378 448 HD3 LYS 61 HD3 LYS 61 -31.455 -0.102 -22.014 449 HE2 LYS 61 HE2 LYS 61 -32.678 -1.180 -20.508 450 HE3 LYS 61 HE3 LYS 61 -32.928 0.320 -19.618 451 HZ1 LYS 61 HZ1 LYS 61 -34.565 -0.045 -21.990 452 HZ2 LYS 61 HZ2 LYS 61 -34.976 0.592 -20.478 453 HZ3 LYS 61 HZ3 LYS 61 -34.903 -1.084 -20.698 454 H THR 62 H THR 62 -32.048 5.873 -21.620 455 HA THR 62 HA THR 62 -32.900 7.940 -21.193 456 HB THR 62 HB THR 62 -35.622 7.068 -22.102 457 HG1 THR 62 HG1 THR 62 -33.552 7.777 -23.912 458 HG21 THR 62 HG21 THR 62 -35.153 9.398 -23.318 459 HG22 THR 62 HG22 THR 62 -34.046 9.578 -21.956 460 HG23 THR 62 HG23 THR 62 -35.763 9.300 -21.666 461 H THR 63 H THR 63 -33.351 5.483 -19.374 462 HA THR 63 HA THR 63 -35.652 6.303 -17.810 463 HB THR 63 HB THR 63 -33.651 4.241 -16.927 464 HG1 THR 63 HG1 THR 63 -35.817 3.785 -18.725 465 HG21 THR 63 HG21 THR 63 -36.543 4.838 -16.426 466 HG22 THR 63 HG22 THR 63 -35.247 4.535 -15.268 467 HG23 THR 63 HG23 THR 63 -35.925 3.201 -16.202 468 H LEU 64 H LEU 64 -32.274 6.892 -17.879 469 HA LEU 64 HA LEU 64 -32.113 7.682 -15.094 470 HB2 LEU 64 HB2 LEU 64 -30.194 7.507 -17.372 471 HB3 LEU 64 HB3 LEU 64 -29.791 8.514 -15.983 472 HG LEU 64 HG LEU 64 -30.403 5.562 -15.848 473 HD11 LEU 64 HD11 LEU 64 -27.869 5.599 -15.225 474 HD12 LEU 64 HD12 LEU 64 -27.860 7.086 -16.172 475 HD13 LEU 64 HD13 LEU 64 -28.369 5.570 -16.916 476 HD21 LEU 64 HD21 LEU 64 -30.434 5.789 -13.641 477 HD22 LEU 64 HD22 LEU 64 -30.420 7.538 -13.862 478 HD23 LEU 64 HD23 LEU 64 -28.902 6.661 -13.660
Contact the webmaster for help, if required. Wednesday, May 29, 2024 1:23:57 AM GMT (wattos1)