NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
644429 | 6qeu | 34350 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 -18.963 3.737 -3.158 2 H2 LEU 1 H2 LEU 1 -19.078 4.939 -2.073 3 H3 LEU 1 H3 LEU 1 -19.382 3.409 -1.619 4 HA LEU 1 HA LEU 1 -17.238 4.097 -0.826 5 HB2 LEU 1 HB2 LEU 1 -17.862 1.731 -1.896 6 HB3 LEU 1 HB3 LEU 1 -16.665 2.226 -3.070 7 HG LEU 1 HG LEU 1 -14.979 2.399 -1.341 8 HD11 LEU 1 HD11 LEU 1 -16.366 3.029 0.546 9 HD12 LEU 1 HD12 LEU 1 -15.449 1.576 0.926 10 HD13 LEU 1 HD13 LEU 1 -17.157 1.455 0.515 11 HD21 LEU 1 HD21 LEU 1 -14.810 0.004 -0.798 12 HD22 LEU 1 HD22 LEU 1 -15.217 0.291 -2.488 13 HD23 LEU 1 HD23 LEU 1 -16.469 -0.216 -1.355 14 HA PRO 2 HA PRO 2 -14.970 7.017 -3.283 15 HB2 PRO 2 HB2 PRO 2 -12.551 5.610 -2.261 16 HB3 PRO 2 HB3 PRO 2 -12.959 7.329 -2.224 17 HG2 PRO 2 HG2 PRO 2 -13.153 5.862 -0.020 18 HG3 PRO 2 HG3 PRO 2 -14.386 7.090 -0.404 19 HD2 PRO 2 HD2 PRO 2 -14.508 4.116 -0.701 20 HD3 PRO 2 HD3 PRO 2 -15.767 5.242 -0.169 21 H ARG 3 H ARG 3 -13.748 7.171 -5.153 22 HA ARG 3 HA ARG 3 -14.543 5.434 -7.100 23 HB2 ARG 3 HB2 ARG 3 -13.739 7.770 -7.406 24 HB3 ARG 3 HB3 ARG 3 -12.089 7.189 -7.233 25 HG2 ARG 3 HG2 ARG 3 -12.457 5.730 -9.211 26 HG3 ARG 3 HG3 ARG 3 -14.040 6.488 -9.414 27 HD2 ARG 3 HD2 ARG 3 -12.917 8.688 -9.573 28 HD3 ARG 3 HD3 ARG 3 -11.361 7.866 -9.488 29 HE ARG 3 HE ARG 3 -13.200 7.093 -11.619 30 HH11 ARG 3 HH11 ARG 3 -10.275 8.750 -10.636 31 HH12 ARG 3 HH12 ARG 3 -9.688 8.940 -12.257 32 HH21 ARG 3 HH21 ARG 3 -12.429 7.331 -13.749 33 HH22 ARG 3 HH22 ARG 3 -10.915 8.133 -14.029 34 H ASP 4 H ASP 4 -11.427 5.358 -5.424 35 HA ASP 4 HA ASP 4 -10.614 3.113 -7.159 36 HB2 ASP 4 HB2 ASP 4 -8.901 5.003 -5.546 37 HB3 ASP 4 HB3 ASP 4 -8.299 3.670 -6.522 38 H THR 5 H THR 5 -11.957 3.486 -4.206 39 HA THR 5 HA THR 5 -10.156 2.046 -2.554 40 HB THR 5 HB THR 5 -13.137 2.421 -2.251 41 HG1 THR 5 HG1 THR 5 -11.713 3.749 -0.448 42 HG21 THR 5 HG21 THR 5 -12.335 0.464 -1.004 43 HG22 THR 5 HG22 THR 5 -12.784 1.777 0.088 44 HG23 THR 5 HG23 THR 5 -11.083 1.456 -0.256 45 H SER 6 H SER 6 -13.162 0.999 -4.195 46 HA SER 6 HA SER 6 -13.014 -1.681 -3.407 47 HB2 SER 6 HB2 SER 6 -15.020 -0.603 -4.384 48 HB3 SER 6 HB3 SER 6 -14.224 -0.602 -5.955 49 HG SER 6 HG SER 6 -14.962 -2.544 -6.174 50 H ARG 7 H ARG 7 -11.746 0.012 -6.203 51 HA ARG 7 HA ARG 7 -10.494 -2.038 -7.594 52 HB2 ARG 7 HB2 ARG 7 -10.461 0.023 -8.661 53 HB3 ARG 7 HB3 ARG 7 -10.001 0.885 -7.203 54 HG2 ARG 7 HG2 ARG 7 -7.772 -0.541 -7.559 55 HG3 ARG 7 HG3 ARG 7 -8.318 -0.441 -9.237 56 HD2 ARG 7 HD2 ARG 7 -8.437 1.987 -9.060 57 HD3 ARG 7 HD3 ARG 7 -7.950 1.895 -7.365 58 HE ARG 7 HE ARG 7 -6.004 0.620 -8.906 59 HH11 ARG 7 HH11 ARG 7 -7.295 3.855 -8.526 60 HH12 ARG 7 HH12 ARG 7 -5.771 4.626 -8.829 61 HH21 ARG 7 HH21 ARG 7 -4.005 1.643 -9.329 62 HH22 ARG 7 HH22 ARG 7 -3.905 3.376 -9.293 63 H CYS 8 H CYS 8 -9.259 -0.038 -4.954 64 HA CYS 8 HA CYS 8 -6.635 -1.085 -5.017 65 HB2 CYS 8 HB2 CYS 8 -7.533 1.144 -4.080 66 HB3 CYS 8 HB3 CYS 8 -7.870 0.215 -2.626 67 H VAL 9 H VAL 9 -9.533 -2.014 -3.294 68 HA VAL 9 HA VAL 9 -8.546 -3.467 -1.174 69 HB VAL 9 HB VAL 9 -10.925 -4.160 -2.903 70 HG11 VAL 9 HG11 VAL 9 -10.261 -6.082 -1.562 71 HG12 VAL 9 HG12 VAL 9 -11.764 -5.391 -0.952 72 HG13 VAL 9 HG13 VAL 9 -10.244 -5.082 -0.111 73 HG21 VAL 9 HG21 VAL 9 -10.714 -2.568 -0.360 74 HG22 VAL 9 HG22 VAL 9 -12.215 -2.999 -1.180 75 HG23 VAL 9 HG23 VAL 9 -11.050 -1.937 -1.971 76 H GLY 10 H GLY 10 -8.877 -4.504 -4.531 77 HA2 GLY 10 HA2 GLY 10 -7.828 -7.142 -3.946 78 HA3 GLY 10 HA3 GLY 10 -8.236 -6.509 -5.533 79 H TYR 11 H TYR 11 -6.498 -4.079 -4.750 80 HA TYR 11 HA TYR 11 -4.107 -5.246 -5.954 81 HB2 TYR 11 HB2 TYR 11 -5.148 -2.445 -5.723 82 HB3 TYR 11 HB3 TYR 11 -3.481 -2.774 -6.182 83 HD1 TYR 11 HD1 TYR 11 -6.598 -2.075 -7.463 84 HD2 TYR 11 HD2 TYR 11 -3.343 -4.737 -8.053 85 HE1 TYR 11 HE1 TYR 11 -7.324 -2.432 -9.782 86 HE2 TYR 11 HE2 TYR 11 -4.053 -5.105 -10.368 87 HH TYR 11 HH TYR 11 -6.333 -3.142 -11.927 88 H HIS 12 H HIS 12 -4.710 -2.729 -3.495 89 HA HIS 12 HA HIS 12 -2.163 -3.535 -2.251 90 HB2 HIS 12 HB2 HIS 12 -3.103 -0.691 -2.116 91 HB3 HIS 12 HB3 HIS 12 -1.467 -1.331 -1.999 92 HD1 HIS 12 HD1 HIS 12 -3.551 0.496 -4.212 93 HD2 HIS 12 HD2 HIS 12 -0.620 -2.407 -4.695 94 HE1 HIS 12 HE1 HIS 12 -2.841 0.653 -6.615 95 HE2 HIS 12 HE2 HIS 12 -0.837 -0.874 -6.774 96 H GLY 13 H GLY 13 -5.195 -3.952 -1.755 97 HA2 GLY 13 HA2 GLY 13 -5.900 -4.831 0.344 98 HA3 GLY 13 HA3 GLY 13 -4.855 -3.672 1.146 99 H TYR 14 H TYR 14 -6.880 -3.414 2.431 100 HA TYR 14 HA TYR 14 -9.120 -2.111 1.168 101 HB2 TYR 14 HB2 TYR 14 -10.000 -1.911 3.480 102 HB3 TYR 14 HB3 TYR 14 -9.544 -3.559 3.072 103 HD1 TYR 14 HD1 TYR 14 -7.876 -4.707 4.314 104 HD2 TYR 14 HD2 TYR 14 -8.532 -0.558 4.975 105 HE1 TYR 14 HE1 TYR 14 -6.482 -4.812 6.336 106 HE2 TYR 14 HE2 TYR 14 -7.137 -0.653 6.995 107 HH TYR 14 HH TYR 14 -6.379 -2.275 8.615 108 H CYS 15 H CYS 15 -9.861 -0.012 2.637 109 HA CYS 15 HA CYS 15 -7.514 1.741 2.662 110 HB2 CYS 15 HB2 CYS 15 -8.681 1.774 0.430 111 HB3 CYS 15 HB3 CYS 15 -10.056 2.499 1.251 112 H ILE 16 H ILE 16 -7.453 2.423 4.640 113 HA ILE 16 HA ILE 16 -9.904 3.217 6.031 114 HB ILE 16 HB ILE 16 -8.539 3.321 8.081 115 HG12 ILE 16 HG12 ILE 16 -6.344 2.292 6.280 116 HG13 ILE 16 HG13 ILE 16 -6.352 3.794 7.187 117 HG21 ILE 16 HG21 ILE 16 -8.209 0.875 8.318 118 HG22 ILE 16 HG22 ILE 16 -8.509 0.715 6.586 119 HG23 ILE 16 HG23 ILE 16 -9.775 1.330 7.647 120 HD11 ILE 16 HD11 ILE 16 -6.294 1.027 8.369 121 HD12 ILE 16 HD12 ILE 16 -6.297 2.540 9.277 122 HD13 ILE 16 HD13 ILE 16 -4.928 2.136 8.240 123 H ARG 17 H ARG 17 -9.110 5.175 7.690 124 HA ARG 17 HA ARG 17 -8.822 7.348 5.852 125 HB2 ARG 17 HB2 ARG 17 -10.268 7.588 7.777 126 HB3 ARG 17 HB3 ARG 17 -8.928 7.278 8.873 127 HG2 ARG 17 HG2 ARG 17 -7.846 9.353 8.085 128 HG3 ARG 17 HG3 ARG 17 -9.260 9.672 7.076 129 HD2 ARG 17 HD2 ARG 17 -9.277 9.371 10.076 130 HD3 ARG 17 HD3 ARG 17 -9.337 10.901 9.202 131 HE ARG 17 HE ARG 17 -11.441 9.589 8.181 132 HH11 ARG 17 HH11 ARG 17 -10.421 10.162 11.478 133 HH12 ARG 17 HH12 ARG 17 -12.034 10.131 12.117 134 HH21 ARG 17 HH21 ARG 17 -13.563 9.547 9.017 135 HH22 ARG 17 HH22 ARG 17 -13.819 9.773 10.718 136 H SER 18 H SER 18 -6.709 5.902 8.342 137 HA SER 18 HA SER 18 -4.626 7.807 7.507 138 HB2 SER 18 HB2 SER 18 -5.289 6.888 10.308 139 HB3 SER 18 HB3 SER 18 -3.917 7.910 9.880 140 HG SER 18 HG SER 18 -5.457 9.433 9.058 141 H LYS 19 H LYS 19 -2.428 7.072 8.481 142 HA LYS 19 HA LYS 19 -1.879 4.546 7.231 143 HB2 LYS 19 HB2 LYS 19 -0.053 6.502 8.630 144 HB3 LYS 19 HB3 LYS 19 0.469 5.137 7.656 145 HG2 LYS 19 HG2 LYS 19 0.667 7.055 6.342 146 HG3 LYS 19 HG3 LYS 19 -0.713 6.184 5.714 147 HD2 LYS 19 HD2 LYS 19 -2.172 7.724 7.009 148 HD3 LYS 19 HD3 LYS 19 -0.736 8.626 7.489 149 HE2 LYS 19 HE2 LYS 19 -1.674 8.193 4.661 150 HE3 LYS 19 HE3 LYS 19 -1.918 9.662 5.603 151 HZ1 LYS 19 HZ1 LYS 19 0.491 9.859 5.731 152 HZ2 LYS 19 HZ2 LYS 19 -0.030 9.901 4.193 153 HZ3 LYS 19 HZ3 LYS 19 0.666 8.554 4.772 154 H VAL 20 H VAL 20 -3.313 4.790 9.792 155 HA VAL 20 HA VAL 20 -1.663 3.622 11.840 156 HB VAL 20 HB VAL 20 -4.666 3.625 11.892 157 HG11 VAL 20 HG11 VAL 20 -3.520 2.489 13.710 158 HG12 VAL 20 HG12 VAL 20 -4.327 3.945 14.295 159 HG13 VAL 20 HG13 VAL 20 -2.581 3.944 14.045 160 HG21 VAL 20 HG21 VAL 20 -4.611 5.895 12.809 161 HG22 VAL 20 HG22 VAL 20 -4.018 5.843 11.150 162 HG23 VAL 20 HG23 VAL 20 -2.879 5.977 12.490 163 H CYS 21 H CYS 21 -1.737 2.162 9.379 164 HA CYS 21 HA CYS 21 -3.460 -0.027 9.351 165 HB2 CYS 21 HB2 CYS 21 -0.600 0.089 8.382 166 HB3 CYS 21 HB3 CYS 21 -1.851 -1.023 7.829 167 HA PRO 22 HA PRO 22 -1.877 -2.509 12.728 168 HB2 PRO 22 HB2 PRO 22 -3.223 -4.779 12.121 169 HB3 PRO 22 HB3 PRO 22 -4.010 -3.381 12.863 170 HG2 PRO 22 HG2 PRO 22 -3.980 -4.239 9.998 171 HG3 PRO 22 HG3 PRO 22 -5.330 -3.624 10.970 172 HD2 PRO 22 HD2 PRO 22 -3.945 -2.079 9.216 173 HD3 PRO 22 HD3 PRO 22 -4.699 -1.432 10.686 174 H LYS 23 H LYS 23 -1.134 -5.041 12.714 175 HA LYS 23 HA LYS 23 0.666 -5.267 10.409 176 HB2 LYS 23 HB2 LYS 23 2.210 -4.881 12.022 177 HB3 LYS 23 HB3 LYS 23 1.146 -5.404 13.315 178 HG2 LYS 23 HG2 LYS 23 2.293 -7.450 11.487 179 HG3 LYS 23 HG3 LYS 23 3.319 -6.729 12.729 180 HD2 LYS 23 HD2 LYS 23 1.754 -7.398 14.453 181 HD3 LYS 23 HD3 LYS 23 0.646 -8.033 13.235 182 HE2 LYS 23 HE2 LYS 23 1.919 -9.834 14.279 183 HE3 LYS 23 HE3 LYS 23 2.334 -9.683 12.571 184 HZ1 LYS 23 HZ1 LYS 23 4.282 -9.954 13.928 185 HZ2 LYS 23 HZ2 LYS 23 3.920 -8.634 14.804 186 HZ3 LYS 23 HZ3 LYS 23 4.302 -8.481 13.231 187 HA PRO 24 HA PRO 24 1.891 -6.463 9.492 188 HB2 PRO 24 HB2 PRO 24 2.220 -8.129 7.441 189 HB3 PRO 24 HB3 PRO 24 2.786 -8.566 9.059 190 HG2 PRO 24 HG2 PRO 24 0.339 -9.460 7.599 191 HG3 PRO 24 HG3 PRO 24 1.426 -10.395 8.639 192 HD2 PRO 24 HD2 PRO 24 -1.013 -9.286 9.418 193 HD3 PRO 24 HD3 PRO 24 0.271 -9.817 10.519 194 H PHE 25 H PHE 25 0.766 -4.648 8.788 195 HA PHE 25 HA PHE 25 -0.366 -4.872 6.109 196 HB2 PHE 25 HB2 PHE 25 -1.758 -3.604 8.468 197 HB3 PHE 25 HB3 PHE 25 -2.154 -3.181 6.807 198 HD1 PHE 25 HD1 PHE 25 -3.588 -4.507 5.550 199 HD2 PHE 25 HD2 PHE 25 -2.017 -5.987 9.213 200 HE1 PHE 25 HE1 PHE 25 -5.123 -6.425 5.425 201 HE2 PHE 25 HE2 PHE 25 -3.560 -7.905 9.101 202 HZ PHE 25 HZ PHE 25 -5.105 -8.120 7.197 203 H ALA 26 H ALA 26 0.221 -3.252 4.809 204 HA ALA 26 HA ALA 26 1.958 -1.221 6.045 205 HB1 ALA 26 HB1 ALA 26 1.993 -2.142 3.177 206 HB2 ALA 26 HB2 ALA 26 3.007 -2.838 4.442 207 HB3 ALA 26 HB3 ALA 26 3.188 -1.138 3.997 208 H ALA 27 H ALA 27 1.392 0.860 5.911 209 HA ALA 27 HA ALA 27 -0.846 1.865 4.590 210 HB1 ALA 27 HB1 ALA 27 0.261 3.063 6.398 211 HB2 ALA 27 HB2 ALA 27 0.204 4.068 4.949 212 HB3 ALA 27 HB3 ALA 27 1.704 3.263 5.405 213 H PHE 28 H PHE 28 -0.909 1.109 2.516 214 HA PHE 28 HA PHE 28 1.357 1.513 0.752 215 HB2 PHE 28 HB2 PHE 28 -0.756 -0.374 0.953 216 HB3 PHE 28 HB3 PHE 28 -0.964 0.463 -0.573 217 HD1 PHE 28 HD1 PHE 28 1.341 0.791 -1.899 218 HD2 PHE 28 HD2 PHE 28 0.498 -2.263 0.936 219 HE1 PHE 28 HE1 PHE 28 3.084 -0.622 -2.908 220 HE2 PHE 28 HE2 PHE 28 2.235 -3.682 -0.065 221 HZ PHE 28 HZ PHE 28 3.536 -2.860 -1.988 222 H GLY 29 H GLY 29 1.358 3.731 0.661 223 HA2 GLY 29 HA2 GLY 29 0.777 5.826 -0.054 224 HA3 GLY 29 HA3 GLY 29 0.226 4.979 -1.482 225 H THR 30 H THR 30 -1.619 5.790 -2.023 226 HA THR 30 HA THR 30 -3.774 5.843 -0.035 227 HB THR 30 HB THR 30 -4.646 7.925 -1.099 228 HG1 THR 30 HG1 THR 30 -2.715 7.354 -2.888 229 HG21 THR 30 HG21 THR 30 -1.860 8.037 0.059 230 HG22 THR 30 HG22 THR 30 -3.392 8.246 0.911 231 HG23 THR 30 HG23 THR 30 -2.845 9.468 -0.235 232 H CYS 31 H CYS 31 -5.834 5.271 -0.918 233 HA CYS 31 HA CYS 31 -5.594 3.685 -3.321 234 HB2 CYS 31 HB2 CYS 31 -7.933 3.012 -2.830 235 HB3 CYS 31 HB3 CYS 31 -6.843 2.752 -1.473 236 H SER 32 H SER 32 -8.146 5.979 -2.372 237 HA SER 32 HA SER 32 -8.257 6.851 -5.176 238 HB2 SER 32 HB2 SER 32 -10.292 5.702 -4.062 239 HB3 SER 32 HB3 SER 32 -10.479 7.211 -3.172 240 HG SER 32 HG SER 32 -10.200 7.283 -5.971 241 H TRP 33 H TRP 33 -9.286 8.187 -2.046 242 HA TRP 33 HA TRP 33 -8.230 10.785 -2.820 243 HB2 TRP 33 HB2 TRP 33 -9.458 10.180 -0.141 244 HB3 TRP 33 HB3 TRP 33 -9.450 11.692 -1.032 245 HD1 TRP 33 HD1 TRP 33 -11.979 9.837 0.197 246 HE1 TRP 33 HE1 TRP 33 -13.996 9.489 -1.361 247 HE3 TRP 33 HE3 TRP 33 -9.758 10.944 -4.268 248 HZ2 TRP 33 HZ2 TRP 33 -14.565 9.661 -4.107 249 HZ3 TRP 33 HZ3 TRP 33 -11.123 10.828 -6.317 250 HH2 TRP 33 HH2 TRP 33 -13.466 10.204 -6.237 251 H ARG 34 H ARG 34 -6.584 11.830 -1.667 252 HA ARG 34 HA ARG 34 -4.578 10.193 -0.511 253 HB2 ARG 34 HB2 ARG 34 -4.190 12.379 -1.679 254 HB3 ARG 34 HB3 ARG 34 -4.895 13.193 -0.292 255 HG2 ARG 34 HG2 ARG 34 -2.620 11.346 0.135 256 HG3 ARG 34 HG3 ARG 34 -2.315 12.935 -0.545 257 HD2 ARG 34 HD2 ARG 34 -3.347 13.979 1.391 258 HD3 ARG 34 HD3 ARG 34 -3.739 12.393 2.055 259 HE ARG 34 HE ARG 34 -0.928 12.935 1.519 260 HH11 ARG 34 HH11 ARG 34 -3.501 12.816 3.887 261 HH12 ARG 34 HH12 ARG 34 -2.422 12.679 5.236 262 HH21 ARG 34 HH21 ARG 34 0.490 12.747 3.277 263 HH22 ARG 34 HH22 ARG 34 -0.144 12.632 4.889 264 H GLN 35 H GLN 35 -7.232 11.961 0.645 265 HA GLN 35 HA GLN 35 -6.842 12.271 3.334 266 HB2 GLN 35 HB2 GLN 35 -9.419 11.331 2.070 267 HB3 GLN 35 HB3 GLN 35 -9.245 12.214 3.581 268 HG2 GLN 35 HG2 GLN 35 -8.270 14.089 2.277 269 HG3 GLN 35 HG3 GLN 35 -8.685 13.217 0.810 270 HE21 GLN 35 HE21 GLN 35 -10.820 13.057 0.182 271 HE22 GLN 35 HE22 GLN 35 -12.077 14.007 0.894 272 H LYS 36 H LYS 36 -7.383 9.290 1.618 273 HA LYS 36 HA LYS 36 -7.376 7.859 4.196 274 HB2 LYS 36 HB2 LYS 36 -8.409 5.974 2.796 275 HB3 LYS 36 HB3 LYS 36 -9.427 7.341 3.204 276 HG2 LYS 36 HG2 LYS 36 -8.752 8.299 0.945 277 HG3 LYS 36 HG3 LYS 36 -8.127 6.687 0.601 278 HD2 LYS 36 HD2 LYS 36 -10.338 6.927 -0.310 279 HD3 LYS 36 HD3 LYS 36 -10.346 5.755 1.007 280 HE2 LYS 36 HE2 LYS 36 -11.034 8.602 1.569 281 HE3 LYS 36 HE3 LYS 36 -12.231 7.565 0.794 282 HZ1 LYS 36 HZ1 LYS 36 -11.929 6.045 2.686 283 HZ2 LYS 36 HZ2 LYS 36 -12.539 7.484 3.119 284 HZ3 LYS 36 HZ3 LYS 36 -10.983 7.150 3.417 285 H THR 37 H THR 37 -6.462 5.629 4.041 286 HA THR 37 HA THR 37 -4.042 5.604 2.348 287 HB THR 37 HB THR 37 -4.292 4.586 5.193 288 HG1 THR 37 HG1 THR 37 -4.226 7.003 4.641 289 HG21 THR 37 HG21 THR 37 -1.859 4.891 3.422 290 HG22 THR 37 HG22 THR 37 -2.636 3.365 3.843 291 HG23 THR 37 HG23 THR 37 -1.859 4.332 5.095 292 H CYS 38 H CYS 38 -3.538 3.642 1.374 293 HA CYS 38 HA CYS 38 -5.596 1.583 1.543 294 HB2 CYS 38 HB2 CYS 38 -4.518 2.498 -0.631 295 HB3 CYS 38 HB3 CYS 38 -3.132 1.508 -0.195 296 H CYS 39 H CYS 39 -5.182 -0.497 2.363 297 HA CYS 39 HA CYS 39 -2.544 -0.935 3.564 298 HB2 CYS 39 HB2 CYS 39 -5.155 -1.111 5.075 299 HB3 CYS 39 HB3 CYS 39 -3.579 -1.582 5.699 300 H VAL 40 H VAL 40 -1.881 -2.842 2.858 301 HA VAL 40 HA VAL 40 -3.891 -4.982 2.588 302 HB VAL 40 HB VAL 40 -2.836 -4.110 0.450 303 HG11 VAL 40 HG11 VAL 40 -0.560 -3.881 1.218 304 HG12 VAL 40 HG12 VAL 40 -0.655 -4.950 -0.181 305 HG13 VAL 40 HG13 VAL 40 -0.444 -5.626 1.436 306 HG21 VAL 40 HG21 VAL 40 -2.608 -7.044 1.071 307 HG22 VAL 40 HG22 VAL 40 -2.653 -6.335 -0.549 308 HG23 VAL 40 HG23 VAL 40 -4.049 -6.190 0.518 309 H ASP 41 H ASP 41 -3.305 -7.075 3.213 310 HA ASP 41 HA ASP 41 -1.623 -7.281 5.479 311 HB2 ASP 41 HB2 ASP 41 -3.542 -8.747 5.177 312 HB3 ASP 41 HB3 ASP 41 -2.833 -9.414 3.718 313 H THR 42 H THR 42 0.411 -6.660 4.985 314 HA THR 42 HA THR 42 1.689 -7.615 2.591 315 HB THR 42 HB THR 42 3.574 -6.119 3.403 316 HG1 THR 42 HG1 THR 42 2.388 -6.290 5.666 317 HG21 THR 42 HG21 THR 42 2.268 -4.028 2.968 318 HG22 THR 42 HG22 THR 42 0.797 -4.990 3.029 319 HG23 THR 42 HG23 THR 42 1.999 -5.292 1.777 320 H THR 43 H THR 43 1.877 -9.833 3.041 321 HA THR 43 HA THR 43 3.852 -10.524 5.102 322 HB THR 43 HB THR 43 2.861 -12.905 4.583 323 HG1 THR 43 HG1 THR 43 0.472 -11.481 4.179 324 HG21 THR 43 HG21 THR 43 1.366 -10.815 6.151 325 HG22 THR 43 HG22 THR 43 2.733 -11.764 6.733 326 HG23 THR 43 HG23 THR 43 1.208 -12.558 6.347 327 H SER 44 H SER 44 2.793 -12.118 2.089 328 HA SER 44 HA SER 44 5.528 -13.075 1.791 329 HB2 SER 44 HB2 SER 44 3.014 -13.905 0.344 330 HB3 SER 44 HB3 SER 44 4.572 -14.728 0.272 331 HG SER 44 HG SER 44 2.831 -15.449 1.858 332 H ASP 45 H ASP 45 3.136 -12.186 -0.714 333 HA ASP 45 HA ASP 45 5.343 -11.433 -2.456 334 HB2 ASP 45 HB2 ASP 45 3.684 -11.467 -4.254 335 HB3 ASP 45 HB3 ASP 45 3.632 -12.963 -3.329 336 H PHE 46 H PHE 46 3.485 -9.965 -0.292 337 HA PHE 46 HA PHE 46 2.412 -7.735 -1.634 338 HB2 PHE 46 HB2 PHE 46 2.902 -8.245 1.287 339 HB3 PHE 46 HB3 PHE 46 1.928 -6.923 0.642 340 HD1 PHE 46 HD1 PHE 46 2.151 -10.544 1.127 341 HD2 PHE 46 HD2 PHE 46 -0.246 -7.327 -0.287 342 HE1 PHE 46 HE1 PHE 46 0.210 -12.042 1.033 343 HE2 PHE 46 HE2 PHE 46 -2.201 -8.821 -0.380 344 HZ PHE 46 HZ PHE 46 -1.974 -11.183 0.280 345 H HIS 47 H HIS 47 5.571 -8.349 -1.042 346 HA HIS 47 HA HIS 47 6.803 -5.960 -0.375 347 HB2 HIS 47 HB2 HIS 47 7.643 -7.888 -2.554 348 HB3 HIS 47 HB3 HIS 47 8.668 -6.651 -1.848 349 HD1 HIS 47 HD1 HIS 47 8.713 -7.033 1.023 350 HD2 HIS 47 HD2 HIS 47 8.207 -10.280 -1.519 351 HE1 HIS 47 HE1 HIS 47 9.409 -9.044 2.351 352 HE2 HIS 47 HE2 HIS 47 9.274 -10.965 0.734 353 H THR 48 H THR 48 4.460 -6.065 -2.491 354 HA THR 48 HA THR 48 4.917 -5.169 -4.974 355 HB THR 48 HB THR 48 2.747 -4.194 -3.174 356 HG1 THR 48 HG1 THR 48 1.956 -6.388 -4.369 357 HG21 THR 48 HG21 THR 48 2.782 -4.809 -6.127 358 HG22 THR 48 HG22 THR 48 2.620 -3.217 -5.377 359 HG23 THR 48 HG23 THR 48 1.335 -4.415 -5.198 360 H CYS 49 H CYS 49 6.095 -3.382 -2.479 361 HA CYS 49 HA CYS 49 5.465 -0.779 -2.599 362 HB2 CYS 49 HB2 CYS 49 7.386 -0.464 -1.488 363 HB3 CYS 49 HB3 CYS 49 7.581 -2.202 -1.623 364 H GLN 50 H GLN 50 7.376 -2.400 -5.135 365 HA GLN 50 HA GLN 50 8.154 -0.075 -6.483 366 HB2 GLN 50 HB2 GLN 50 8.563 -1.562 -8.423 367 HB3 GLN 50 HB3 GLN 50 9.301 -2.118 -6.936 368 HG2 GLN 50 HG2 GLN 50 6.659 -3.177 -7.875 369 HG3 GLN 50 HG3 GLN 50 8.186 -3.839 -8.453 370 HE21 GLN 50 HE21 GLN 50 6.125 -5.151 -6.916 371 HE22 GLN 50 HE22 GLN 50 6.879 -5.684 -5.448 372 H ASP 51 H ASP 51 5.094 -1.672 -6.416 373 HA ASP 51 HA ASP 51 4.041 -0.754 -8.884 374 HB2 ASP 51 HB2 ASP 51 2.950 -2.505 -7.530 375 HB3 ASP 51 HB3 ASP 51 2.588 -1.317 -6.281 376 H LYS 52 H LYS 52 4.365 0.659 -5.724 377 HA LYS 52 HA LYS 52 2.862 3.044 -6.421 378 HB2 LYS 52 HB2 LYS 52 4.472 2.358 -3.958 379 HB3 LYS 52 HB3 LYS 52 3.475 3.788 -4.140 380 HG2 LYS 52 HG2 LYS 52 2.472 0.958 -4.217 381 HG3 LYS 52 HG3 LYS 52 2.408 2.029 -2.818 382 HD2 LYS 52 HD2 LYS 52 1.155 2.788 -5.438 383 HD3 LYS 52 HD3 LYS 52 0.297 1.802 -4.258 384 HE2 LYS 52 HE2 LYS 52 -0.403 3.965 -3.773 385 HE3 LYS 52 HE3 LYS 52 0.862 3.658 -2.590 386 HZ1 LYS 52 HZ1 LYS 52 2.317 5.045 -3.732 387 HZ2 LYS 52 HZ2 LYS 52 0.906 5.853 -3.778 388 HZ3 LYS 52 HZ3 LYS 52 1.419 5.054 -5.094 389 H GLY 53 H GLY 53 5.732 1.969 -7.335 390 HA2 GLY 53 HA2 GLY 53 7.636 2.996 -8.129 391 HA3 GLY 53 HA3 GLY 53 6.925 4.548 -7.699 392 H GLY 54 H GLY 54 7.621 1.712 -5.693 393 HA2 GLY 54 HA2 GLY 54 8.634 3.139 -3.520 394 HA3 GLY 54 HA3 GLY 54 8.961 1.442 -3.848 395 H HIS 55 H HIS 55 10.441 4.205 -3.215 396 HA HIS 55 HA HIS 55 12.436 4.185 -5.326 397 HB2 HIS 55 HB2 HIS 55 11.996 5.964 -2.931 398 HB3 HIS 55 HB3 HIS 55 13.413 6.102 -3.963 399 HD1 HIS 55 HD1 HIS 55 13.188 7.656 -5.880 400 HD2 HIS 55 HD2 HIS 55 9.490 6.366 -4.472 401 HE1 HIS 55 HE1 HIS 55 11.479 8.993 -7.147 402 HE2 HIS 55 HE2 HIS 55 9.260 8.050 -6.431 403 H CYS 56 H CYS 56 14.760 4.427 -4.584 404 HA CYS 56 HA CYS 56 15.313 2.543 -2.402 405 HB2 CYS 56 HB2 CYS 56 16.581 2.676 -5.141 406 HB3 CYS 56 HB3 CYS 56 17.292 1.793 -3.792 407 H VAL 57 H VAL 57 16.438 3.493 -0.855 408 HA VAL 57 HA VAL 57 18.170 5.736 -1.635 409 HB VAL 57 HB VAL 57 17.637 6.875 0.428 410 HG11 VAL 57 HG11 VAL 57 16.236 7.309 -1.499 411 HG12 VAL 57 HG12 VAL 57 15.313 7.450 -0.002 412 HG13 VAL 57 HG13 VAL 57 15.144 6.013 -1.011 413 HG21 VAL 57 HG21 VAL 57 15.877 6.072 1.943 414 HG22 VAL 57 HG22 VAL 57 17.266 4.986 1.899 415 HG23 VAL 57 HG23 VAL 57 15.792 4.568 1.024 416 H SER 58 H SER 58 20.149 5.778 -0.898 417 HA SER 58 HA SER 58 21.266 3.467 0.316 418 HB2 SER 58 HB2 SER 58 23.271 5.274 0.237 419 HB3 SER 58 HB3 SER 58 22.751 4.368 -1.167 420 HG SER 58 HG SER 58 22.905 6.671 -1.493 421 HA PRO 59 HA PRO 59 21.053 4.324 4.573 422 HB2 PRO 59 HB2 PRO 59 23.697 3.932 5.355 423 HB3 PRO 59 HB3 PRO 59 22.464 2.682 5.189 424 HG2 PRO 59 HG2 PRO 59 24.624 3.477 3.302 425 HG3 PRO 59 HG3 PRO 59 23.960 1.871 3.640 426 HD2 PRO 59 HD2 PRO 59 23.329 3.218 1.403 427 HD3 PRO 59 HD3 PRO 59 22.151 2.184 2.233 428 H LYS 60 H LYS 60 22.903 6.387 2.619 429 HA LYS 60 HA LYS 60 23.463 8.207 4.849 430 HB2 LYS 60 HB2 LYS 60 24.773 9.517 3.288 431 HB3 LYS 60 HB3 LYS 60 25.271 7.835 3.204 432 HG2 LYS 60 HG2 LYS 60 24.219 7.521 1.119 433 HG3 LYS 60 HG3 LYS 60 23.305 9.021 1.268 434 HD2 LYS 60 HD2 LYS 60 25.131 9.305 -0.307 435 HD3 LYS 60 HD3 LYS 60 25.401 10.297 1.124 436 HE2 LYS 60 HE2 LYS 60 27.475 9.264 0.501 437 HE3 LYS 60 HE3 LYS 60 26.910 8.526 1.998 438 HZ1 LYS 60 HZ1 LYS 60 27.663 6.848 0.518 439 HZ2 LYS 60 HZ2 LYS 60 26.716 7.373 -0.692 440 HZ3 LYS 60 HZ3 LYS 60 26.046 6.709 0.629 441 H ILE 61 H ILE 61 21.007 7.577 2.668 442 HA ILE 61 HA ILE 61 20.300 10.314 2.041 443 HB ILE 61 HB ILE 61 18.698 7.784 1.634 444 HG12 ILE 61 HG12 ILE 61 20.960 7.880 0.513 445 HG13 ILE 61 HG13 ILE 61 19.588 7.631 -0.558 446 HG21 ILE 61 HG21 ILE 61 17.472 9.087 -0.042 447 HG22 ILE 61 HG22 ILE 61 18.414 10.513 0.387 448 HG23 ILE 61 HG23 ILE 61 17.327 9.789 1.569 449 HD11 ILE 61 HD11 ILE 61 21.162 9.158 -1.539 450 HD12 ILE 61 HD12 ILE 61 21.087 10.203 -0.119 451 HD13 ILE 61 HD13 ILE 61 19.669 10.013 -1.151 452 H ARG 62 H ARG 62 18.671 11.489 2.939 453 HA ARG 62 HA ARG 62 17.469 10.357 5.369 454 HB2 ARG 62 HB2 ARG 62 17.938 13.230 4.559 455 HB3 ARG 62 HB3 ARG 62 16.958 12.767 5.943 456 HG2 ARG 62 HG2 ARG 62 19.042 13.256 6.854 457 HG3 ARG 62 HG3 ARG 62 19.011 11.495 6.752 458 HD2 ARG 62 HD2 ARG 62 21.160 12.315 6.004 459 HD3 ARG 62 HD3 ARG 62 20.283 11.621 4.642 460 HE ARG 62 HE ARG 62 19.892 14.447 4.891 461 HH11 ARG 62 HH11 ARG 62 22.034 11.978 3.619 462 HH12 ARG 62 HH12 ARG 62 22.739 13.032 2.430 463 HH21 ARG 62 HH21 ARG 62 20.823 15.825 3.329 464 HH22 ARG 62 HH22 ARG 62 22.049 15.216 2.265 465 H CYS 63 H CYS 63 15.858 9.268 4.388 466 HA CYS 63 HA CYS 63 13.688 10.878 3.247 467 HB2 CYS 63 HB2 CYS 63 14.797 9.817 1.375 468 HB3 CYS 63 HB3 CYS 63 14.782 8.264 2.197 469 H LEU 64 H LEU 64 11.564 10.009 3.607 470 HA LEU 64 HA LEU 64 11.351 8.415 5.978 471 HB2 LEU 64 HB2 LEU 64 9.371 9.540 4.050 472 HB3 LEU 64 HB3 LEU 64 8.869 8.351 5.236 473 HG LEU 64 HG LEU 64 9.798 9.870 7.015 474 HD11 LEU 64 HD11 LEU 64 10.123 12.214 6.463 475 HD12 LEU 64 HD12 LEU 64 9.883 11.856 4.753 476 HD13 LEU 64 HD13 LEU 64 11.277 11.192 5.606 477 HD21 LEU 64 HD21 LEU 64 7.434 9.699 6.575 478 HD22 LEU 64 HD22 LEU 64 7.560 10.911 5.300 479 HD23 LEU 64 HD23 LEU 64 7.867 11.358 6.979 480 H GLU 65 H GLU 65 12.442 6.592 5.489 481 HA GLU 65 HA GLU 65 11.802 5.081 3.125 482 HB2 GLU 65 HB2 GLU 65 13.624 3.507 4.076 483 HB3 GLU 65 HB3 GLU 65 14.079 5.061 3.407 484 HG2 GLU 65 HG2 GLU 65 15.349 4.671 5.378 485 HG3 GLU 65 HG3 GLU 65 14.209 5.963 5.712 486 H GLU 66 H GLU 66 11.805 2.659 3.358 487 HA GLU 66 HA GLU 66 11.015 0.701 4.176 488 HB2 GLU 66 HB2 GLU 66 9.733 2.263 6.416 489 HB3 GLU 66 HB3 GLU 66 9.733 0.509 6.253 490 HG2 GLU 66 HG2 GLU 66 12.375 1.045 6.052 491 HG3 GLU 66 HG3 GLU 66 11.849 2.328 7.140 492 H GLN 67 H GLN 67 10.059 1.072 2.133 493 HA GLN 67 HA GLN 67 7.169 1.438 2.161 494 HB2 GLN 67 HB2 GLN 67 9.098 1.964 0.286 495 HB3 GLN 67 HB3 GLN 67 8.503 0.414 -0.268 496 HG2 GLN 67 HG2 GLN 67 6.723 2.776 0.256 497 HG3 GLN 67 HG3 GLN 67 7.461 2.451 -1.304 498 HE21 GLN 67 HE21 GLN 67 5.599 2.159 -2.406 499 HE22 GLN 67 HE22 GLN 67 4.535 0.811 -2.155 500 H LEU 68 H LEU 68 9.157 -1.005 0.544 501 HA LEU 68 HA LEU 68 8.545 -3.207 2.147 502 HB2 LEU 68 HB2 LEU 68 6.513 -2.500 0.160 503 HB3 LEU 68 HB3 LEU 68 7.086 -4.150 0.020 504 HG LEU 68 HG LEU 68 6.243 -3.111 2.679 505 HD11 LEU 68 HD11 LEU 68 4.433 -2.499 1.202 506 HD12 LEU 68 HD12 LEU 68 3.968 -3.850 2.233 507 HD13 LEU 68 HD13 LEU 68 4.398 -4.137 0.549 508 HD21 LEU 68 HD21 LEU 68 5.679 -5.410 3.097 509 HD22 LEU 68 HD22 LEU 68 7.335 -5.305 2.500 510 HD23 LEU 68 HD23 LEU 68 6.041 -5.833 1.425 511 H GLY 69 H GLY 69 9.652 -5.024 1.477 512 HA2 GLY 69 HA2 GLY 69 10.700 -6.455 -0.036 513 HA3 GLY 69 HA3 GLY 69 10.478 -5.248 -1.292 514 H LEU 70 H LEU 70 12.795 -6.368 -1.424 515 HA LEU 70 HA LEU 70 14.681 -4.607 -0.020 516 HB2 LEU 70 HB2 LEU 70 14.675 -7.342 -0.170 517 HB3 LEU 70 HB3 LEU 70 15.749 -6.920 -1.488 518 HG LEU 70 HG LEU 70 16.101 -6.102 1.399 519 HD11 LEU 70 HD11 LEU 70 17.592 -8.100 -0.295 520 HD12 LEU 70 HD12 LEU 70 16.500 -8.471 1.039 521 HD13 LEU 70 HD13 LEU 70 18.015 -7.623 1.350 522 HD21 LEU 70 HD21 LEU 70 18.283 -5.264 0.701 523 HD22 LEU 70 HD22 LEU 70 16.985 -4.417 -0.141 524 HD23 LEU 70 HD23 LEU 70 17.911 -5.664 -0.976 525 H CYS 71 H CYS 71 15.901 -3.263 -1.152 526 HA CYS 71 HA CYS 71 15.407 -2.817 -3.926 527 HB2 CYS 71 HB2 CYS 71 17.160 -1.562 -1.841 528 HB3 CYS 71 HB3 CYS 71 17.346 -1.122 -3.536 529 HA PRO 72 HA PRO 72 18.624 -4.946 -6.175 530 HB2 PRO 72 HB2 PRO 72 19.789 -2.216 -6.618 531 HB3 PRO 72 HB3 PRO 72 19.566 -3.544 -7.773 532 HG2 PRO 72 HG2 PRO 72 17.866 -1.503 -7.732 533 HG3 PRO 72 HG3 PRO 72 17.283 -3.160 -7.971 534 HD2 PRO 72 HD2 PRO 72 17.060 -1.402 -5.587 535 HD3 PRO 72 HD3 PRO 72 15.985 -2.702 -6.138 536 H LEU 73 H LEU 73 20.026 -2.119 -4.454 537 HA LEU 73 HA LEU 73 22.346 -3.616 -3.649 538 HB2 LEU 73 HB2 LEU 73 21.309 -0.968 -2.663 539 HB3 LEU 73 HB3 LEU 73 22.825 -1.673 -2.180 540 HG LEU 73 HG LEU 73 23.509 -0.144 -3.729 541 HD11 LEU 73 HD11 LEU 73 24.205 -1.299 -5.725 542 HD12 LEU 73 HD12 LEU 73 23.008 -2.563 -5.442 543 HD13 LEU 73 HD13 LEU 73 24.354 -2.355 -4.319 544 HD21 LEU 73 HD21 LEU 73 21.045 -0.774 -5.331 545 HD22 LEU 73 HD22 LEU 73 22.348 0.274 -5.889 546 HD23 LEU 73 HD23 LEU 73 21.424 0.712 -4.454 547 H LYS 74 H LYS 74 22.902 -3.812 -1.315 548 HA LYS 74 HA LYS 74 20.616 -5.240 -0.170 549 HB2 LYS 74 HB2 LYS 74 23.573 -5.582 0.320 550 HB3 LYS 74 HB3 LYS 74 22.309 -6.551 1.066 551 HG2 LYS 74 HG2 LYS 74 22.942 -6.392 -1.873 552 HG3 LYS 74 HG3 LYS 74 23.287 -7.744 -0.793 553 HD2 LYS 74 HD2 LYS 74 20.875 -8.024 -0.401 554 HD3 LYS 74 HD3 LYS 74 20.549 -6.695 -1.513 555 HE2 LYS 74 HE2 LYS 74 20.239 -8.844 -2.612 556 HE3 LYS 74 HE3 LYS 74 21.577 -7.954 -3.331 557 HZ1 LYS 74 HZ1 LYS 74 21.917 -10.060 -1.323 558 HZ2 LYS 74 HZ2 LYS 74 23.093 -9.335 -2.181 559 HZ3 LYS 74 HZ3 LYS 74 22.033 -10.314 -2.926 560 H ARG 75 H ARG 75 22.737 -2.619 0.519 561 HA ARG 75 HA ARG 75 21.887 -2.569 3.319 562 HB2 ARG 75 HB2 ARG 75 23.966 -1.018 1.787 563 HB3 ARG 75 HB3 ARG 75 23.495 -0.601 3.429 564 HG2 ARG 75 HG2 ARG 75 24.215 -2.760 4.228 565 HG3 ARG 75 HG3 ARG 75 24.589 -3.274 2.582 566 HD2 ARG 75 HD2 ARG 75 25.878 -0.911 3.923 567 HD3 ARG 75 HD3 ARG 75 26.553 -2.538 3.969 568 HE ARG 75 HE ARG 75 26.056 -1.819 1.297 569 HH11 ARG 75 HH11 ARG 75 28.189 -1.005 3.947 570 HH12 ARG 75 HH12 ARG 75 29.515 -0.572 2.916 571 HH21 ARG 75 HH21 ARG 75 27.802 -1.257 -0.069 572 HH22 ARG 75 HH22 ARG 75 29.292 -0.702 0.631 573 H TRP 76 H TRP 76 20.537 -1.714 0.583 574 HA TRP 76 HA TRP 76 19.742 0.991 1.339 575 HB2 TRP 76 HB2 TRP 76 19.352 -0.613 -1.186 576 HB3 TRP 76 HB3 TRP 76 18.641 0.978 -0.925 577 HD1 TRP 76 HD1 TRP 76 22.270 -0.190 -0.203 578 HE1 TRP 76 HE1 TRP 76 23.865 1.357 -1.475 579 HE3 TRP 76 HE3 TRP 76 18.831 2.758 -2.533 580 HZ2 TRP 76 HZ2 TRP 76 23.684 3.546 -3.226 581 HZ3 TRP 76 HZ3 TRP 76 19.616 4.599 -3.955 582 HH2 TRP 76 HH2 TRP 76 22.004 4.991 -4.265 583 H THR 77 H THR 77 17.639 1.589 1.624 584 HA THR 77 HA THR 77 15.764 -0.610 2.173 585 HB THR 77 HB THR 77 15.637 2.220 3.222 586 HG1 THR 77 HG1 THR 77 17.041 -0.034 4.105 587 HG21 THR 77 HG21 THR 77 14.115 1.242 4.890 588 HG22 THR 77 HG22 THR 77 14.245 -0.318 4.079 589 HG23 THR 77 HG23 THR 77 13.502 1.048 3.248 590 H CYS 78 H CYS 78 13.897 -0.714 1.023 591 HA CYS 78 HA CYS 78 13.346 1.075 -1.110 592 HB2 CYS 78 HB2 CYS 78 12.534 -1.292 -1.051 593 HB3 CYS 78 HB3 CYS 78 11.445 -0.855 0.259 594 H CYS 79 H CYS 79 12.375 3.006 -1.027 595 HA CYS 79 HA CYS 79 11.184 3.782 1.550 596 HB2 CYS 79 HB2 CYS 79 13.148 4.997 1.372 597 HB3 CYS 79 HB3 CYS 79 12.962 5.261 -0.360 598 H LYS 80 H LYS 80 9.329 4.972 1.595 599 HA LYS 80 HA LYS 80 7.636 4.518 -0.693 600 HB2 LYS 80 HB2 LYS 80 7.013 4.154 1.750 601 HB3 LYS 80 HB3 LYS 80 6.884 5.902 1.872 602 HG2 LYS 80 HG2 LYS 80 5.140 5.926 0.207 603 HG3 LYS 80 HG3 LYS 80 5.309 4.189 -0.034 604 HD2 LYS 80 HD2 LYS 80 4.431 5.562 2.504 605 HD3 LYS 80 HD3 LYS 80 3.392 4.686 1.383 606 HE2 LYS 80 HE2 LYS 80 3.730 3.046 2.934 607 HE3 LYS 80 HE3 LYS 80 5.111 2.734 1.886 608 HZ1 LYS 80 HZ1 LYS 80 5.170 4.274 4.385 609 HZ2 LYS 80 HZ2 LYS 80 6.450 4.035 3.417 610 HZ3 LYS 80 HZ3 LYS 80 5.767 2.775 4.178 611 H GLU 81 H GLU 81 8.341 5.926 -2.252 612 HA GLU 81 HA GLU 81 8.218 7.802 -3.517 613 HB2 GLU 81 HB2 GLU 81 5.848 8.202 -1.702 614 HB3 GLU 81 HB3 GLU 81 6.146 9.145 -3.158 615 HG2 GLU 81 HG2 GLU 81 5.861 7.273 -4.555 616 HG3 GLU 81 HG3 GLU 81 5.966 6.150 -3.202 617 H ILE 82 H ILE 82 10.086 8.862 -3.042 618 HA ILE 82 HA ILE 82 10.543 10.402 -0.703 619 HB ILE 82 HB ILE 82 11.984 10.686 -3.345 620 HG12 ILE 82 HG12 ILE 82 12.593 8.777 -1.074 621 HG13 ILE 82 HG13 ILE 82 11.937 8.317 -2.641 622 HG21 ILE 82 HG21 ILE 82 12.465 12.445 -1.749 623 HG22 ILE 82 HG22 ILE 82 13.867 11.389 -1.927 624 HG23 ILE 82 HG23 ILE 82 12.831 11.249 -0.506 625 HD11 ILE 82 HD11 ILE 82 13.984 9.138 -3.717 626 HD12 ILE 82 HD12 ILE 82 14.305 7.857 -2.549 627 HD13 ILE 82 HD13 ILE 82 14.640 9.537 -2.131 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 -18.009 3.555 -4.121 2 H2 LEU 1 H2 LEU 1 -18.566 4.863 -3.340 3 H3 LEU 1 H3 LEU 1 -18.652 3.404 -2.632 4 HA LEU 1 HA LEU 1 -16.891 4.640 -1.652 5 HB2 LEU 1 HB2 LEU 1 -16.098 2.353 -3.435 6 HB3 LEU 1 HB3 LEU 1 -14.977 3.082 -2.309 7 HG LEU 1 HG LEU 1 -17.569 1.785 -1.559 8 HD11 LEU 1 HD11 LEU 1 -16.025 0.141 -2.440 9 HD12 LEU 1 HD12 LEU 1 -16.174 -0.039 -0.693 10 HD13 LEU 1 HD13 LEU 1 -14.753 0.745 -1.379 11 HD21 LEU 1 HD21 LEU 1 -16.883 3.494 0.024 12 HD22 LEU 1 HD22 LEU 1 -15.280 2.769 0.127 13 HD23 LEU 1 HD23 LEU 1 -16.686 1.888 0.724 14 HA PRO 2 HA PRO 2 -14.350 7.421 -4.011 15 HB2 PRO 2 HB2 PRO 2 -11.965 6.022 -2.905 16 HB3 PRO 2 HB3 PRO 2 -12.370 7.743 -2.885 17 HG2 PRO 2 HG2 PRO 2 -12.624 6.308 -0.676 18 HG3 PRO 2 HG3 PRO 2 -13.878 7.497 -1.114 19 HD2 PRO 2 HD2 PRO 2 -13.892 4.516 -1.440 20 HD3 PRO 2 HD3 PRO 2 -15.194 5.585 -0.884 21 H ARG 3 H ARG 3 -12.644 7.495 -5.652 22 HA ARG 3 HA ARG 3 -13.339 5.952 -7.791 23 HB2 ARG 3 HB2 ARG 3 -12.188 8.081 -7.958 24 HB3 ARG 3 HB3 ARG 3 -10.723 7.366 -7.302 25 HG2 ARG 3 HG2 ARG 3 -10.613 5.883 -9.274 26 HG3 ARG 3 HG3 ARG 3 -12.016 6.724 -9.939 27 HD2 ARG 3 HD2 ARG 3 -9.353 7.951 -9.254 28 HD3 ARG 3 HD3 ARG 3 -9.964 7.620 -10.874 29 HE ARG 3 HE ARG 3 -11.866 9.224 -9.781 30 HH11 ARG 3 HH11 ARG 3 -8.405 9.499 -10.200 31 HH12 ARG 3 HH12 ARG 3 -8.430 11.227 -10.333 32 HH21 ARG 3 HH21 ARG 3 -11.902 11.504 -9.924 33 HH22 ARG 3 HH22 ARG 3 -10.418 12.369 -10.176 34 H ASP 4 H ASP 4 -10.551 5.383 -5.669 35 HA ASP 4 HA ASP 4 -9.897 3.001 -7.282 36 HB2 ASP 4 HB2 ASP 4 -8.068 4.732 -5.614 37 HB3 ASP 4 HB3 ASP 4 -7.580 3.292 -6.499 38 H THR 5 H THR 5 -11.543 3.507 -4.598 39 HA THR 5 HA THR 5 -10.055 2.039 -2.660 40 HB THR 5 HB THR 5 -13.015 2.649 -2.739 41 HG1 THR 5 HG1 THR 5 -11.740 3.961 -0.834 42 HG21 THR 5 HG21 THR 5 -12.963 2.119 -0.335 43 HG22 THR 5 HG22 THR 5 -11.278 1.615 -0.496 44 HG23 THR 5 HG23 THR 5 -12.549 0.716 -1.322 45 H SER 6 H SER 6 -12.896 1.158 -4.631 46 HA SER 6 HA SER 6 -12.973 -1.542 -3.822 47 HB2 SER 6 HB2 SER 6 -14.870 -0.410 -4.874 48 HB3 SER 6 HB3 SER 6 -13.960 -0.257 -6.375 49 HG SER 6 HG SER 6 -13.863 -2.800 -5.786 50 H ARG 7 H ARG 7 -11.112 0.198 -6.111 51 HA ARG 7 HA ARG 7 -10.052 -2.014 -7.554 52 HB2 ARG 7 HB2 ARG 7 -9.932 0.088 -8.616 53 HB3 ARG 7 HB3 ARG 7 -9.301 0.874 -7.178 54 HG2 ARG 7 HG2 ARG 7 -7.323 -0.880 -7.668 55 HG3 ARG 7 HG3 ARG 7 -7.902 -0.582 -9.309 56 HD2 ARG 7 HD2 ARG 7 -7.671 1.825 -8.953 57 HD3 ARG 7 HD3 ARG 7 -7.103 1.525 -7.306 58 HE ARG 7 HE ARG 7 -5.420 0.095 -8.898 59 HH11 ARG 7 HH11 ARG 7 -6.379 3.467 -8.799 60 HH12 ARG 7 HH12 ARG 7 -4.823 4.040 -9.324 61 HH21 ARG 7 HH21 ARG 7 -3.395 0.854 -9.610 62 HH22 ARG 7 HH22 ARG 7 -3.137 2.560 -9.797 63 H CYS 8 H CYS 8 -8.795 0.055 -4.961 64 HA CYS 8 HA CYS 8 -6.261 -1.186 -4.858 65 HB2 CYS 8 HB2 CYS 8 -7.313 1.122 -3.923 66 HB3 CYS 8 HB3 CYS 8 -7.238 0.168 -2.443 67 H VAL 9 H VAL 9 -9.235 -1.642 -3.026 68 HA VAL 9 HA VAL 9 -8.281 -2.967 -0.812 69 HB VAL 9 HB VAL 9 -10.590 -2.222 -1.009 70 HG11 VAL 9 HG11 VAL 9 -12.237 -3.504 -2.289 71 HG12 VAL 9 HG12 VAL 9 -10.936 -4.495 -2.952 72 HG13 VAL 9 HG13 VAL 9 -11.008 -2.772 -3.323 73 HG21 VAL 9 HG21 VAL 9 -11.708 -4.140 0.019 74 HG22 VAL 9 HG22 VAL 9 -10.080 -3.921 0.659 75 HG23 VAL 9 HG23 VAL 9 -10.399 -5.193 -0.520 76 H GLY 10 H GLY 10 -8.817 -4.279 -4.030 77 HA2 GLY 10 HA2 GLY 10 -8.296 -6.987 -3.096 78 HA3 GLY 10 HA3 GLY 10 -8.664 -6.505 -4.746 79 H TYR 11 H TYR 11 -6.559 -4.348 -4.544 80 HA TYR 11 HA TYR 11 -4.445 -6.113 -5.503 81 HB2 TYR 11 HB2 TYR 11 -4.822 -3.133 -5.797 82 HB3 TYR 11 HB3 TYR 11 -3.519 -4.068 -6.516 83 HD1 TYR 11 HD1 TYR 11 -5.136 -6.491 -7.311 84 HD2 TYR 11 HD2 TYR 11 -5.879 -2.330 -7.742 85 HE1 TYR 11 HE1 TYR 11 -6.555 -6.956 -9.248 86 HE2 TYR 11 HE2 TYR 11 -7.307 -2.778 -9.690 87 HH TYR 11 HH TYR 11 -8.371 -5.927 -10.496 88 H HIS 12 H HIS 12 -4.667 -3.132 -3.555 89 HA HIS 12 HA HIS 12 -2.032 -3.809 -2.419 90 HB2 HIS 12 HB2 HIS 12 -3.063 -0.990 -2.690 91 HB3 HIS 12 HB3 HIS 12 -1.410 -1.530 -2.437 92 HD1 HIS 12 HD1 HIS 12 -3.206 0.063 -4.911 93 HD2 HIS 12 HD2 HIS 12 -0.782 -3.318 -4.966 94 HE1 HIS 12 HE1 HIS 12 -2.470 -0.204 -7.299 95 HE2 HIS 12 HE2 HIS 12 -0.940 -2.206 -7.298 96 H GLY 13 H GLY 13 -5.072 -3.998 -1.630 97 HA2 GLY 13 HA2 GLY 13 -5.651 -4.581 0.619 98 HA3 GLY 13 HA3 GLY 13 -4.509 -3.376 1.184 99 H TYR 14 H TYR 14 -6.791 -3.264 2.403 100 HA TYR 14 HA TYR 14 -8.846 -1.861 0.972 101 HB2 TYR 14 HB2 TYR 14 -9.993 -1.800 3.193 102 HB3 TYR 14 HB3 TYR 14 -9.556 -3.412 2.649 103 HD1 TYR 14 HD1 TYR 14 -8.010 -4.752 3.875 104 HD2 TYR 14 HD2 TYR 14 -8.734 -0.729 5.032 105 HE1 TYR 14 HE1 TYR 14 -6.860 -5.166 6.003 106 HE2 TYR 14 HE2 TYR 14 -7.583 -1.126 7.171 107 HH TYR 14 HH TYR 14 -5.699 -3.911 7.733 108 H CYS 15 H CYS 15 -9.862 0.083 2.351 109 HA CYS 15 HA CYS 15 -7.661 2.033 2.377 110 HB2 CYS 15 HB2 CYS 15 -10.435 2.431 1.256 111 HB3 CYS 15 HB3 CYS 15 -9.095 3.574 1.184 112 H ILE 16 H ILE 16 -7.592 2.068 4.636 113 HA ILE 16 HA ILE 16 -9.909 3.230 5.990 114 HB ILE 16 HB ILE 16 -8.529 3.057 8.054 115 HG12 ILE 16 HG12 ILE 16 -6.596 1.655 6.211 116 HG13 ILE 16 HG13 ILE 16 -6.307 3.156 7.075 117 HG21 ILE 16 HG21 ILE 16 -10.120 1.340 7.539 118 HG22 ILE 16 HG22 ILE 16 -8.672 0.592 8.213 119 HG23 ILE 16 HG23 ILE 16 -8.967 0.537 6.475 120 HD11 ILE 16 HD11 ILE 16 -6.427 1.969 9.197 121 HD12 ILE 16 HD12 ILE 16 -5.191 1.279 8.144 122 HD13 ILE 16 HD13 ILE 16 -6.740 0.460 8.340 123 H ARG 17 H ARG 17 -9.204 5.117 7.557 124 HA ARG 17 HA ARG 17 -8.405 7.103 5.582 125 HB2 ARG 17 HB2 ARG 17 -10.522 7.316 6.888 126 HB3 ARG 17 HB3 ARG 17 -9.561 7.531 8.344 127 HG2 ARG 17 HG2 ARG 17 -8.560 9.548 7.374 128 HG3 ARG 17 HG3 ARG 17 -9.561 9.340 5.937 129 HD2 ARG 17 HD2 ARG 17 -10.539 9.801 8.750 130 HD3 ARG 17 HD3 ARG 17 -10.547 10.973 7.433 131 HE ARG 17 HE ARG 17 -12.032 8.472 7.108 132 HH11 ARG 17 HH11 ARG 17 -12.058 11.940 7.584 133 HH12 ARG 17 HH12 ARG 17 -13.716 12.118 7.111 134 HH21 ARG 17 HH21 ARG 17 -14.201 8.695 6.488 135 HH22 ARG 17 HH22 ARG 17 -14.939 10.266 6.481 136 H SER 18 H SER 18 -6.796 5.380 7.891 137 HA SER 18 HA SER 18 -4.683 7.356 8.032 138 HB2 SER 18 HB2 SER 18 -6.066 6.277 10.492 139 HB3 SER 18 HB3 SER 18 -4.508 7.108 10.527 140 HG SER 18 HG SER 18 -6.354 8.502 9.108 141 H LYS 19 H LYS 19 -2.751 6.401 9.240 142 HA LYS 19 HA LYS 19 -2.129 3.969 7.847 143 HB2 LYS 19 HB2 LYS 19 -0.494 5.735 9.667 144 HB3 LYS 19 HB3 LYS 19 0.146 4.375 8.759 145 HG2 LYS 19 HG2 LYS 19 0.643 6.414 7.651 146 HG3 LYS 19 HG3 LYS 19 -0.478 5.496 6.668 147 HD2 LYS 19 HD2 LYS 19 -2.303 6.929 7.598 148 HD3 LYS 19 HD3 LYS 19 -1.064 7.903 8.390 149 HE2 LYS 19 HE2 LYS 19 -1.230 7.412 5.427 150 HE3 LYS 19 HE3 LYS 19 -1.856 8.844 6.241 151 HZ1 LYS 19 HZ1 LYS 19 0.375 9.318 6.975 152 HZ2 LYS 19 HZ2 LYS 19 0.330 9.224 5.354 153 HZ3 LYS 19 HZ3 LYS 19 0.951 7.998 6.216 154 H VAL 20 H VAL 20 -3.936 4.028 10.154 155 HA VAL 20 HA VAL 20 -2.726 2.717 12.382 156 HB VAL 20 HB VAL 20 -5.660 2.532 11.777 157 HG11 VAL 20 HG11 VAL 20 -4.123 2.905 14.344 158 HG12 VAL 20 HG12 VAL 20 -4.810 1.390 13.758 159 HG13 VAL 20 HG13 VAL 20 -5.872 2.727 14.200 160 HG21 VAL 20 HG21 VAL 20 -5.055 4.834 11.279 161 HG22 VAL 20 HG22 VAL 20 -4.244 4.972 12.840 162 HG23 VAL 20 HG23 VAL 20 -5.991 4.743 12.771 163 H CYS 21 H CYS 21 -2.145 1.373 9.894 164 HA CYS 21 HA CYS 21 -3.772 -0.869 9.437 165 HB2 CYS 21 HB2 CYS 21 -0.802 -0.604 8.961 166 HB3 CYS 21 HB3 CYS 21 -1.912 -1.695 8.135 167 HA PRO 22 HA PRO 22 -2.563 -3.401 12.950 168 HB2 PRO 22 HB2 PRO 22 -3.990 -5.579 12.243 169 HB3 PRO 22 HB3 PRO 22 -4.756 -4.142 12.928 170 HG2 PRO 22 HG2 PRO 22 -4.561 -5.007 10.072 171 HG3 PRO 22 HG3 PRO 22 -5.948 -4.326 10.943 172 HD2 PRO 22 HD2 PRO 22 -4.347 -2.859 9.298 173 HD3 PRO 22 HD3 PRO 22 -5.200 -2.168 10.692 174 H LYS 23 H LYS 23 -1.913 -5.949 12.946 175 HA LYS 23 HA LYS 23 -0.026 -6.253 10.705 176 HB2 LYS 23 HB2 LYS 23 0.238 -6.921 13.612 177 HB3 LYS 23 HB3 LYS 23 1.163 -7.825 12.426 178 HG2 LYS 23 HG2 LYS 23 2.572 -6.115 13.221 179 HG3 LYS 23 HG3 LYS 23 2.063 -5.628 11.606 180 HD2 LYS 23 HD2 LYS 23 0.355 -4.168 12.609 181 HD3 LYS 23 HD3 LYS 23 0.926 -4.630 14.215 182 HE2 LYS 23 HE2 LYS 23 2.531 -3.219 12.089 183 HE3 LYS 23 HE3 LYS 23 1.864 -2.487 13.545 184 HZ1 LYS 23 HZ1 LYS 23 3.945 -4.550 13.438 185 HZ2 LYS 23 HZ2 LYS 23 3.277 -3.996 14.813 186 HZ3 LYS 23 HZ3 LYS 23 4.146 -2.995 13.874 187 HA PRO 24 HA PRO 24 1.134 -7.484 9.768 188 HB2 PRO 24 HB2 PRO 24 1.353 -9.007 7.602 189 HB3 PRO 24 HB3 PRO 24 1.883 -9.592 9.183 190 HG2 PRO 24 HG2 PRO 24 -0.588 -10.232 7.640 191 HG3 PRO 24 HG3 PRO 24 0.408 -11.293 8.651 192 HD2 PRO 24 HD2 PRO 24 -1.976 -10.079 9.434 193 HD3 PRO 24 HD3 PRO 24 -0.754 -10.744 10.532 194 H PHE 25 H PHE 25 0.223 -5.520 9.111 195 HA PHE 25 HA PHE 25 -0.684 -5.489 6.347 196 HB2 PHE 25 HB2 PHE 25 -2.236 -4.241 8.626 197 HB3 PHE 25 HB3 PHE 25 -2.441 -3.746 6.953 198 HD1 PHE 25 HD1 PHE 25 -2.580 -6.736 9.156 199 HD2 PHE 25 HD2 PHE 25 -3.973 -4.833 5.614 200 HE1 PHE 25 HE1 PHE 25 -4.236 -8.530 8.846 201 HE2 PHE 25 HE2 PHE 25 -5.608 -6.640 5.286 202 HZ PHE 25 HZ PHE 25 -5.734 -8.481 6.900 203 H ALA 26 H ALA 26 -0.040 -3.700 5.243 204 HA ALA 26 HA ALA 26 1.631 -1.819 6.781 205 HB1 ALA 26 HB1 ALA 26 2.079 -2.643 3.919 206 HB2 ALA 26 HB2 ALA 26 2.898 -3.374 5.299 207 HB3 ALA 26 HB3 ALA 26 3.140 -1.665 4.932 208 H ALA 27 H ALA 27 1.274 0.283 6.561 209 HA ALA 27 HA ALA 27 -0.824 1.381 5.048 210 HB1 ALA 27 HB1 ALA 27 1.611 2.665 6.284 211 HB2 ALA 27 HB2 ALA 27 0.022 2.489 7.026 212 HB3 ALA 27 HB3 ALA 27 0.234 3.548 5.631 213 H PHE 28 H PHE 28 -0.601 0.709 2.912 214 HA PHE 28 HA PHE 28 1.884 1.329 1.536 215 HB2 PHE 28 HB2 PHE 28 -0.294 -0.584 1.168 216 HB3 PHE 28 HB3 PHE 28 0.198 0.183 -0.330 217 HD1 PHE 28 HD1 PHE 28 3.027 0.521 -0.103 218 HD2 PHE 28 HD2 PHE 28 0.579 -2.672 1.257 219 HE1 PHE 28 HE1 PHE 28 4.952 -1.006 -0.224 220 HE2 PHE 28 HE2 PHE 28 2.491 -4.208 1.129 221 HZ PHE 28 HZ PHE 28 4.685 -3.372 0.389 222 H GLY 29 H GLY 29 1.761 3.530 1.494 223 HA2 GLY 29 HA2 GLY 29 1.323 5.566 0.547 224 HA3 GLY 29 HA3 GLY 29 0.771 4.660 -0.849 225 H THR 30 H THR 30 -1.027 5.665 -1.422 226 HA THR 30 HA THR 30 -3.240 5.586 0.503 227 HB THR 30 HB THR 30 -4.101 7.724 -0.423 228 HG1 THR 30 HG1 THR 30 -1.563 8.139 -1.614 229 HG21 THR 30 HG21 THR 30 -2.880 7.943 1.607 230 HG22 THR 30 HG22 THR 30 -2.276 9.220 0.544 231 HG23 THR 30 HG23 THR 30 -1.336 7.743 0.779 232 H CYS 31 H CYS 31 -5.342 5.209 -0.535 233 HA CYS 31 HA CYS 31 -5.045 3.492 -2.819 234 HB2 CYS 31 HB2 CYS 31 -7.551 4.483 -1.457 235 HB3 CYS 31 HB3 CYS 31 -7.494 3.220 -2.679 236 H SER 32 H SER 32 -7.369 6.118 -2.393 237 HA SER 32 HA SER 32 -6.994 6.814 -5.224 238 HB2 SER 32 HB2 SER 32 -9.261 5.871 -4.360 239 HB3 SER 32 HB3 SER 32 -9.463 7.457 -3.620 240 HG SER 32 HG SER 32 -8.857 7.113 -6.375 241 H TRP 33 H TRP 33 -8.366 8.340 -2.332 242 HA TRP 33 HA TRP 33 -6.994 10.828 -2.939 243 HB2 TRP 33 HB2 TRP 33 -8.532 10.459 -0.406 244 HB3 TRP 33 HB3 TRP 33 -8.434 11.864 -1.453 245 HD1 TRP 33 HD1 TRP 33 -11.031 10.005 -0.225 246 HE1 TRP 33 HE1 TRP 33 -12.945 9.573 -1.883 247 HE3 TRP 33 HE3 TRP 33 -8.569 10.986 -4.595 248 HZ2 TRP 33 HZ2 TRP 33 -13.354 9.624 -4.654 249 HZ3 TRP 33 HZ3 TRP 33 -9.808 10.771 -6.712 250 HH2 TRP 33 HH2 TRP 33 -12.144 10.105 -6.740 251 H ARG 34 H ARG 34 -5.583 11.818 -1.387 252 HA ARG 34 HA ARG 34 -3.770 10.036 -0.161 253 HB2 ARG 34 HB2 ARG 34 -3.028 12.176 -0.990 254 HB3 ARG 34 HB3 ARG 34 -4.123 13.023 0.089 255 HG2 ARG 34 HG2 ARG 34 -2.109 11.236 1.317 256 HG3 ARG 34 HG3 ARG 34 -1.552 12.738 0.600 257 HD2 ARG 34 HD2 ARG 34 -3.199 13.969 1.966 258 HD3 ARG 34 HD3 ARG 34 -3.668 12.448 2.719 259 HE ARG 34 HE ARG 34 -1.077 13.805 3.042 260 HH11 ARG 34 HH11 ARG 34 -3.361 11.346 4.023 261 HH12 ARG 34 HH12 ARG 34 -2.615 11.080 5.563 262 HH21 ARG 34 HH21 ARG 34 -0.085 13.464 5.072 263 HH22 ARG 34 HH22 ARG 34 -0.743 12.286 6.160 264 H GLN 35 H GLN 35 -6.597 11.644 0.892 265 HA GLN 35 HA GLN 35 -6.658 11.596 3.588 266 HB2 GLN 35 HB2 GLN 35 -8.803 10.410 1.816 267 HB3 GLN 35 HB3 GLN 35 -9.026 10.944 3.472 268 HG2 GLN 35 HG2 GLN 35 -8.547 13.233 2.808 269 HG3 GLN 35 HG3 GLN 35 -8.294 12.704 1.146 270 HE21 GLN 35 HE21 GLN 35 -10.251 14.577 2.289 271 HE22 GLN 35 HE22 GLN 35 -11.800 13.979 1.813 272 H LYS 36 H LYS 36 -7.094 8.710 1.531 273 HA LYS 36 HA LYS 36 -7.157 7.104 3.988 274 HB2 LYS 36 HB2 LYS 36 -8.370 5.427 2.551 275 HB3 LYS 36 HB3 LYS 36 -9.230 6.925 2.867 276 HG2 LYS 36 HG2 LYS 36 -8.204 7.686 0.606 277 HG3 LYS 36 HG3 LYS 36 -7.974 5.958 0.345 278 HD2 LYS 36 HD2 LYS 36 -10.050 6.629 -0.646 279 HD3 LYS 36 HD3 LYS 36 -10.381 5.625 0.772 280 HE2 LYS 36 HE2 LYS 36 -10.276 8.551 1.186 281 HE3 LYS 36 HE3 LYS 36 -11.644 7.930 0.265 282 HZ1 LYS 36 HZ1 LYS 36 -12.144 6.493 2.124 283 HZ2 LYS 36 HZ2 LYS 36 -12.135 8.047 2.600 284 HZ3 LYS 36 HZ3 LYS 36 -10.887 7.079 2.974 285 H THR 37 H THR 37 -5.836 5.483 4.304 286 HA THR 37 HA THR 37 -3.539 5.172 2.562 287 HB THR 37 HB THR 37 -4.134 3.789 5.184 288 HG1 THR 37 HG1 THR 37 -3.519 6.415 4.654 289 HG21 THR 37 HG21 THR 37 -1.511 4.455 3.848 290 HG22 THR 37 HG22 THR 37 -2.280 2.869 3.832 291 HG23 THR 37 HG23 THR 37 -1.730 3.564 5.356 292 H CYS 38 H CYS 38 -2.909 3.164 1.642 293 HA CYS 38 HA CYS 38 -5.117 1.267 1.274 294 HB2 CYS 38 HB2 CYS 38 -3.721 2.370 -0.642 295 HB3 CYS 38 HB3 CYS 38 -2.497 1.185 -0.206 296 H CYS 39 H CYS 39 -5.100 -0.222 2.883 297 HA CYS 39 HA CYS 39 -2.483 -1.150 3.868 298 HB2 CYS 39 HB2 CYS 39 -5.178 -1.155 5.233 299 HB3 CYS 39 HB3 CYS 39 -3.688 -1.778 5.934 300 H VAL 40 H VAL 40 -1.927 -2.987 2.903 301 HA VAL 40 HA VAL 40 -4.005 -5.026 2.454 302 HB VAL 40 HB VAL 40 -2.586 -4.247 0.508 303 HG11 VAL 40 HG11 VAL 40 -0.462 -4.119 1.728 304 HG12 VAL 40 HG12 VAL 40 -0.351 -5.101 0.267 305 HG13 VAL 40 HG13 VAL 40 -0.445 -5.878 1.848 306 HG21 VAL 40 HG21 VAL 40 -2.604 -7.174 1.227 307 HG22 VAL 40 HG22 VAL 40 -2.271 -6.539 -0.387 308 HG23 VAL 40 HG23 VAL 40 -3.852 -6.284 0.351 309 H ASP 41 H ASP 41 -3.669 -7.165 3.108 310 HA ASP 41 HA ASP 41 -2.189 -7.658 5.454 311 HB2 ASP 41 HB2 ASP 41 -4.058 -9.071 4.915 312 HB3 ASP 41 HB3 ASP 41 -3.334 -9.533 3.383 313 H THR 42 H THR 42 -0.069 -7.368 5.455 314 HA THR 42 HA THR 42 1.389 -7.906 3.009 315 HB THR 42 HB THR 42 3.256 -6.695 4.349 316 HG1 THR 42 HG1 THR 42 2.654 -5.705 6.166 317 HG21 THR 42 HG21 THR 42 0.768 -5.137 3.641 318 HG22 THR 42 HG22 THR 42 1.913 -5.757 2.455 319 HG23 THR 42 HG23 THR 42 2.431 -4.554 3.633 320 H THR 43 H THR 43 1.402 -10.192 3.192 321 HA THR 43 HA THR 43 3.321 -11.194 5.168 322 HB THR 43 HB THR 43 2.271 -13.465 4.405 323 HG1 THR 43 HG1 THR 43 -0.059 -11.900 4.091 324 HG21 THR 43 HG21 THR 43 0.825 -11.497 6.170 325 HG22 THR 43 HG22 THR 43 2.165 -12.534 6.654 326 HG23 THR 43 HG23 THR 43 0.617 -13.248 6.199 327 H SER 44 H SER 44 2.209 -12.357 1.998 328 HA SER 44 HA SER 44 4.964 -13.109 1.359 329 HB2 SER 44 HB2 SER 44 2.511 -13.737 -0.224 330 HB3 SER 44 HB3 SER 44 4.045 -14.596 -0.229 331 HG SER 44 HG SER 44 2.203 -15.516 1.045 332 H ASP 45 H ASP 45 2.243 -11.560 -0.353 333 HA ASP 45 HA ASP 45 3.972 -10.768 -2.523 334 HB2 ASP 45 HB2 ASP 45 1.953 -9.996 -3.634 335 HB3 ASP 45 HB3 ASP 45 1.706 -11.614 -2.994 336 H PHE 46 H PHE 46 3.262 -9.540 0.381 337 HA PHE 46 HA PHE 46 2.691 -6.900 0.279 338 HB2 PHE 46 HB2 PHE 46 3.823 -6.673 2.387 339 HB3 PHE 46 HB3 PHE 46 3.004 -8.212 2.281 340 HD1 PHE 46 HD1 PHE 46 5.322 -7.337 4.135 341 HD2 PHE 46 HD2 PHE 46 5.066 -9.523 0.526 342 HE1 PHE 46 HE1 PHE 46 7.352 -8.579 4.756 343 HE2 PHE 46 HE2 PHE 46 7.071 -10.796 1.118 344 HZ PHE 46 HZ PHE 46 8.248 -10.308 3.245 345 H HIS 47 H HIS 47 5.468 -8.267 -1.018 346 HA HIS 47 HA HIS 47 7.300 -6.156 -0.922 347 HB2 HIS 47 HB2 HIS 47 7.244 -8.660 -2.087 348 HB3 HIS 47 HB3 HIS 47 7.365 -7.566 -3.464 349 HD1 HIS 47 HD1 HIS 47 9.514 -6.153 -3.675 350 HD2 HIS 47 HD2 HIS 47 9.456 -8.699 -0.390 351 HE1 HIS 47 HE1 HIS 47 11.834 -6.068 -2.713 352 HE2 HIS 47 HE2 HIS 47 11.829 -7.762 -0.845 353 H THR 48 H THR 48 4.313 -5.983 -2.089 354 HA THR 48 HA THR 48 4.115 -4.822 -4.541 355 HB THR 48 HB THR 48 2.635 -3.928 -2.100 356 HG1 THR 48 HG1 THR 48 2.902 -6.418 -3.065 357 HG21 THR 48 HG21 THR 48 1.979 -2.713 -4.079 358 HG22 THR 48 HG22 THR 48 0.697 -3.847 -3.649 359 HG23 THR 48 HG23 THR 48 1.792 -4.215 -4.982 360 H CYS 49 H CYS 49 6.122 -3.473 -2.284 361 HA CYS 49 HA CYS 49 5.463 -0.830 -2.028 362 HB2 CYS 49 HB2 CYS 49 7.667 -0.402 -1.362 363 HB3 CYS 49 HB3 CYS 49 7.446 -2.103 -1.008 364 H GLN 50 H GLN 50 7.430 -2.152 -4.749 365 HA GLN 50 HA GLN 50 7.677 0.396 -5.952 366 HB2 GLN 50 HB2 GLN 50 8.576 -0.752 -7.888 367 HB3 GLN 50 HB3 GLN 50 9.303 -1.339 -6.411 368 HG2 GLN 50 HG2 GLN 50 7.122 -2.759 -7.923 369 HG3 GLN 50 HG3 GLN 50 8.842 -3.092 -8.097 370 HE21 GLN 50 HE21 GLN 50 6.017 -3.668 -6.299 371 HE22 GLN 50 HE22 GLN 50 6.731 -4.655 -5.059 372 H ASP 51 H ASP 51 5.109 -1.814 -5.875 373 HA ASP 51 HA ASP 51 3.842 -0.998 -8.320 374 HB2 ASP 51 HB2 ASP 51 2.781 -2.401 -5.864 375 HB3 ASP 51 HB3 ASP 51 1.811 -2.082 -7.293 376 H LYS 52 H LYS 52 3.760 -0.034 -4.952 377 HA LYS 52 HA LYS 52 1.607 1.836 -5.275 378 HB2 LYS 52 HB2 LYS 52 3.585 1.308 -3.080 379 HB3 LYS 52 HB3 LYS 52 2.421 2.618 -2.986 380 HG2 LYS 52 HG2 LYS 52 1.797 -0.313 -3.243 381 HG3 LYS 52 HG3 LYS 52 1.653 0.664 -1.785 382 HD2 LYS 52 HD2 LYS 52 0.046 0.914 -4.324 383 HD3 LYS 52 HD3 LYS 52 -0.538 0.464 -2.723 384 HE2 LYS 52 HE2 LYS 52 -0.004 2.705 -1.889 385 HE3 LYS 52 HE3 LYS 52 0.610 3.152 -3.480 386 HZ1 LYS 52 HZ1 LYS 52 -1.624 3.927 -3.169 387 HZ2 LYS 52 HZ2 LYS 52 -2.166 2.421 -2.886 388 HZ3 LYS 52 HZ3 LYS 52 -1.594 2.813 -4.357 389 H GLY 53 H GLY 53 4.942 1.867 -5.880 390 HA2 GLY 53 HA2 GLY 53 5.808 3.857 -7.068 391 HA3 GLY 53 HA3 GLY 53 4.990 4.817 -5.839 392 H GLY 54 H GLY 54 6.839 1.857 -5.437 393 HA2 GLY 54 HA2 GLY 54 8.352 3.005 -3.290 394 HA3 GLY 54 HA3 GLY 54 8.505 1.374 -3.919 395 H HIS 55 H HIS 55 10.020 4.216 -3.554 396 HA HIS 55 HA HIS 55 11.648 3.946 -5.985 397 HB2 HIS 55 HB2 HIS 55 11.433 6.184 -3.962 398 HB3 HIS 55 HB3 HIS 55 12.607 6.161 -5.270 399 HD1 HIS 55 HD1 HIS 55 11.878 7.247 -7.381 400 HD2 HIS 55 HD2 HIS 55 8.653 6.134 -5.001 401 HE1 HIS 55 HE1 HIS 55 9.842 8.174 -8.525 402 HE2 HIS 55 HE2 HIS 55 7.897 7.322 -7.169 403 H CYS 56 H CYS 56 14.030 4.334 -5.617 404 HA CYS 56 HA CYS 56 14.864 2.972 -3.152 405 HB2 CYS 56 HB2 CYS 56 15.892 2.640 -5.970 406 HB3 CYS 56 HB3 CYS 56 16.784 2.080 -4.556 407 H VAL 57 H VAL 57 15.984 4.249 -1.900 408 HA VAL 57 HA VAL 57 17.540 6.408 -3.160 409 HB VAL 57 HB VAL 57 17.027 7.830 -1.238 410 HG11 VAL 57 HG11 VAL 57 14.673 8.261 -1.731 411 HG12 VAL 57 HG12 VAL 57 14.566 6.700 -2.545 412 HG13 VAL 57 HG13 VAL 57 15.608 7.965 -3.199 413 HG21 VAL 57 HG21 VAL 57 16.711 6.148 0.477 414 HG22 VAL 57 HG22 VAL 57 15.256 5.567 -0.333 415 HG23 VAL 57 HG23 VAL 57 15.285 7.181 0.375 416 H SER 58 H SER 58 19.516 6.818 -2.418 417 HA SER 58 HA SER 58 20.863 4.734 -1.000 418 HB2 SER 58 HB2 SER 58 22.864 6.029 -1.502 419 HB3 SER 58 HB3 SER 58 21.825 6.022 -2.918 420 HG SER 58 HG SER 58 21.759 8.100 -2.807 421 HA PRO 59 HA PRO 59 20.786 6.131 3.152 422 HB2 PRO 59 HB2 PRO 59 23.448 6.150 3.879 423 HB3 PRO 59 HB3 PRO 59 22.422 4.716 3.822 424 HG2 PRO 59 HG2 PRO 59 24.389 5.720 1.811 425 HG3 PRO 59 HG3 PRO 59 24.061 4.055 2.328 426 HD2 PRO 59 HD2 PRO 59 23.125 5.012 0.011 427 HD3 PRO 59 HD3 PRO 59 22.180 3.877 0.989 428 H LYS 60 H LYS 60 22.198 8.112 0.827 429 HA LYS 60 HA LYS 60 22.724 10.236 2.791 430 HB2 LYS 60 HB2 LYS 60 23.921 11.401 1.009 431 HB3 LYS 60 HB3 LYS 60 24.561 9.785 1.257 432 HG2 LYS 60 HG2 LYS 60 23.435 8.979 -0.709 433 HG3 LYS 60 HG3 LYS 60 22.636 10.536 -0.930 434 HD2 LYS 60 HD2 LYS 60 24.547 10.292 -2.435 435 HD3 LYS 60 HD3 LYS 60 24.798 11.607 -1.287 436 HE2 LYS 60 HE2 LYS 60 26.142 10.058 0.111 437 HE3 LYS 60 HE3 LYS 60 25.962 8.830 -1.139 438 HZ1 LYS 60 HZ1 LYS 60 28.033 10.017 -1.340 439 HZ2 LYS 60 HZ2 LYS 60 27.259 11.435 -1.504 440 HZ3 LYS 60 HZ3 LYS 60 27.104 10.292 -2.647 441 H ILE 61 H ILE 61 20.260 9.125 0.952 442 HA ILE 61 HA ILE 61 19.216 11.712 0.118 443 HB ILE 61 HB ILE 61 17.784 9.056 0.080 444 HG12 ILE 61 HG12 ILE 61 19.963 8.968 -1.106 445 HG13 ILE 61 HG13 ILE 61 18.579 8.690 -2.152 446 HG21 ILE 61 HG21 ILE 61 16.480 10.078 -1.725 447 HG22 ILE 61 HG22 ILE 61 17.390 11.575 -1.528 448 HG23 ILE 61 HG23 ILE 61 16.353 10.996 -0.224 449 HD11 ILE 61 HD11 ILE 61 18.755 11.029 -2.913 450 HD12 ILE 61 HD12 ILE 61 20.182 10.058 -3.275 451 HD13 ILE 61 HD13 ILE 61 20.212 11.203 -1.933 452 H ARG 62 H ARG 62 17.239 12.554 0.936 453 HA ARG 62 HA ARG 62 16.487 11.498 3.578 454 HB2 ARG 62 HB2 ARG 62 16.531 14.370 2.647 455 HB3 ARG 62 HB3 ARG 62 15.775 13.838 4.145 456 HG2 ARG 62 HG2 ARG 62 17.943 12.961 4.894 457 HG3 ARG 62 HG3 ARG 62 18.686 13.600 3.426 458 HD2 ARG 62 HD2 ARG 62 17.306 15.201 5.580 459 HD3 ARG 62 HD3 ARG 62 19.040 15.135 5.269 460 HE ARG 62 HE ARG 62 17.274 16.088 3.140 461 HH11 ARG 62 HH11 ARG 62 19.720 16.792 5.548 462 HH12 ARG 62 HH12 ARG 62 20.084 18.356 4.895 463 HH21 ARG 62 HH21 ARG 62 17.754 18.146 2.289 464 HH22 ARG 62 HH22 ARG 62 18.969 19.127 3.049 465 H CYS 63 H CYS 63 14.954 10.202 2.793 466 HA CYS 63 HA CYS 63 12.508 11.482 1.800 467 HB2 CYS 63 HB2 CYS 63 13.683 10.442 -0.109 468 HB3 CYS 63 HB3 CYS 63 13.703 8.907 0.752 469 H LEU 64 H LEU 64 10.558 10.304 2.321 470 HA LEU 64 HA LEU 64 10.627 8.967 4.823 471 HB2 LEU 64 HB2 LEU 64 8.499 9.181 2.718 472 HB3 LEU 64 HB3 LEU 64 8.247 8.410 4.273 473 HG LEU 64 HG LEU 64 8.789 11.319 3.720 474 HD11 LEU 64 HD11 LEU 64 6.663 11.602 4.887 475 HD12 LEU 64 HD12 LEU 64 6.538 9.852 5.060 476 HD13 LEU 64 HD13 LEU 64 6.499 10.585 3.457 477 HD21 LEU 64 HD21 LEU 64 10.130 10.715 5.640 478 HD22 LEU 64 HD22 LEU 64 8.757 9.886 6.375 479 HD23 LEU 64 HD23 LEU 64 8.723 11.637 6.167 480 H GLU 65 H GLU 65 12.120 7.318 4.528 481 HA GLU 65 HA GLU 65 11.649 5.341 2.469 482 HB2 GLU 65 HB2 GLU 65 13.793 4.426 3.038 483 HB3 GLU 65 HB3 GLU 65 13.936 6.171 2.917 484 HG2 GLU 65 HG2 GLU 65 13.620 4.722 5.532 485 HG3 GLU 65 HG3 GLU 65 15.183 5.078 4.806 486 H GLU 66 H GLU 66 12.005 3.013 3.087 487 HA GLU 66 HA GLU 66 11.592 1.123 4.277 488 HB2 GLU 66 HB2 GLU 66 10.751 2.990 6.484 489 HB3 GLU 66 HB3 GLU 66 10.766 1.235 6.629 490 HG2 GLU 66 HG2 GLU 66 13.116 1.148 6.374 491 HG3 GLU 66 HG3 GLU 66 13.179 2.841 5.886 492 H GLN 67 H GLN 67 10.072 1.672 2.376 493 HA GLN 67 HA GLN 67 7.275 1.720 3.075 494 HB2 GLN 67 HB2 GLN 67 8.258 2.575 0.911 495 HB3 GLN 67 HB3 GLN 67 8.496 0.895 0.447 496 HG2 GLN 67 HG2 GLN 67 6.105 0.496 0.616 497 HG3 GLN 67 HG3 GLN 67 5.854 2.168 1.113 498 HE21 GLN 67 HE21 GLN 67 4.724 0.859 -1.169 499 HE22 GLN 67 HE22 GLN 67 5.304 1.703 -2.565 500 H LEU 68 H LEU 68 9.229 -0.710 1.359 501 HA LEU 68 HA LEU 68 8.663 -2.867 3.070 502 HB2 LEU 68 HB2 LEU 68 6.423 -2.286 1.665 503 HB3 LEU 68 HB3 LEU 68 7.228 -3.340 0.516 504 HG LEU 68 HG LEU 68 5.653 -4.608 1.834 505 HD11 LEU 68 HD11 LEU 68 8.483 -5.243 2.633 506 HD12 LEU 68 HD12 LEU 68 7.673 -5.760 1.155 507 HD13 LEU 68 HD13 LEU 68 7.112 -6.348 2.720 508 HD21 LEU 68 HD21 LEU 68 7.207 -3.705 4.251 509 HD22 LEU 68 HD22 LEU 68 5.881 -4.866 4.245 510 HD23 LEU 68 HD23 LEU 68 5.581 -3.184 3.809 511 H GLY 69 H GLY 69 10.250 -4.327 2.674 512 HA2 GLY 69 HA2 GLY 69 11.414 -5.862 1.346 513 HA3 GLY 69 HA3 GLY 69 10.860 -5.001 -0.083 514 H LEU 70 H LEU 70 13.484 -5.930 0.276 515 HA LEU 70 HA LEU 70 15.034 -3.521 0.871 516 HB2 LEU 70 HB2 LEU 70 15.494 -6.115 1.516 517 HB3 LEU 70 HB3 LEU 70 16.397 -6.003 0.019 518 HG LEU 70 HG LEU 70 16.815 -4.247 2.442 519 HD11 LEU 70 HD11 LEU 70 18.915 -5.472 2.690 520 HD12 LEU 70 HD12 LEU 70 18.458 -6.522 1.348 521 HD13 LEU 70 HD13 LEU 70 17.517 -6.537 2.840 522 HD21 LEU 70 HD21 LEU 70 17.366 -3.077 0.377 523 HD22 LEU 70 HD22 LEU 70 18.366 -4.434 -0.139 524 HD23 LEU 70 HD23 LEU 70 18.828 -3.485 1.272 525 H CYS 71 H CYS 71 15.837 -2.300 -0.673 526 HA CYS 71 HA CYS 71 15.202 -2.650 -3.393 527 HB2 CYS 71 HB2 CYS 71 16.881 -0.730 -1.837 528 HB3 CYS 71 HB3 CYS 71 16.996 -0.740 -3.594 529 HA PRO 72 HA PRO 72 18.454 -4.844 -5.529 530 HB2 PRO 72 HB2 PRO 72 19.177 -2.106 -6.540 531 HB3 PRO 72 HB3 PRO 72 19.111 -3.644 -7.421 532 HG2 PRO 72 HG2 PRO 72 17.096 -1.932 -7.602 533 HG3 PRO 72 HG3 PRO 72 16.784 -3.670 -7.463 534 HD2 PRO 72 HD2 PRO 72 16.408 -1.521 -5.456 535 HD3 PRO 72 HD3 PRO 72 15.557 -3.068 -5.630 536 H LEU 73 H LEU 73 19.698 -1.602 -4.571 537 HA LEU 73 HA LEU 73 22.174 -2.748 -3.660 538 HB2 LEU 73 HB2 LEU 73 21.043 -0.023 -3.122 539 HB3 LEU 73 HB3 LEU 73 22.640 -0.539 -2.668 540 HG LEU 73 HG LEU 73 23.079 0.691 -4.551 541 HD11 LEU 73 HD11 LEU 73 23.667 -0.780 -6.352 542 HD12 LEU 73 HD12 LEU 73 22.572 -2.019 -5.739 543 HD13 LEU 73 HD13 LEU 73 23.995 -1.559 -4.803 544 HD21 LEU 73 HD21 LEU 73 21.698 0.621 -6.625 545 HD22 LEU 73 HD22 LEU 73 20.890 1.300 -5.213 546 HD23 LEU 73 HD23 LEU 73 20.519 -0.346 -5.737 547 H LYS 74 H LYS 74 22.882 -2.728 -1.521 548 HA LYS 74 HA LYS 74 20.737 -3.590 0.260 549 HB2 LYS 74 HB2 LYS 74 23.716 -4.042 0.364 550 HB3 LYS 74 HB3 LYS 74 22.603 -4.582 1.610 551 HG2 LYS 74 HG2 LYS 74 22.590 -5.451 -1.273 552 HG3 LYS 74 HG3 LYS 74 23.184 -6.389 0.097 553 HD2 LYS 74 HD2 LYS 74 20.888 -6.269 1.075 554 HD3 LYS 74 HD3 LYS 74 20.346 -5.516 -0.425 555 HE2 LYS 74 HE2 LYS 74 19.851 -7.867 -0.511 556 HE3 LYS 74 HE3 LYS 74 21.139 -7.512 -1.660 557 HZ1 LYS 74 HZ1 LYS 74 21.595 -9.489 -0.380 558 HZ2 LYS 74 HZ2 LYS 74 21.529 -8.658 1.014 559 HZ3 LYS 74 HZ3 LYS 74 22.709 -8.348 -0.058 560 H ARG 75 H ARG 75 22.868 -0.972 -0.188 561 HA ARG 75 HA ARG 75 22.696 -0.119 2.600 562 HB2 ARG 75 HB2 ARG 75 23.894 1.312 0.215 563 HB3 ARG 75 HB3 ARG 75 24.015 1.832 1.886 564 HG2 ARG 75 HG2 ARG 75 25.227 -0.642 0.676 565 HG3 ARG 75 HG3 ARG 75 26.078 0.811 1.190 566 HD2 ARG 75 HD2 ARG 75 26.389 -0.826 2.887 567 HD3 ARG 75 HD3 ARG 75 25.243 0.357 3.515 568 HE ARG 75 HE ARG 75 23.716 -1.615 2.358 569 HH11 ARG 75 HH11 ARG 75 26.154 -1.530 4.873 570 HH12 ARG 75 HH12 ARG 75 25.395 -2.761 5.828 571 HH21 ARG 75 HH21 ARG 75 22.705 -3.225 3.617 572 HH22 ARG 75 HH22 ARG 75 23.443 -3.750 5.097 573 H TRP 76 H TRP 76 20.688 -0.144 0.055 574 HA TRP 76 HA TRP 76 19.640 2.563 0.469 575 HB2 TRP 76 HB2 TRP 76 19.178 0.576 -1.761 576 HB3 TRP 76 HB3 TRP 76 18.402 2.152 -1.649 577 HD1 TRP 76 HD1 TRP 76 22.159 1.410 -1.079 578 HE1 TRP 76 HE1 TRP 76 23.507 2.749 -2.794 579 HE3 TRP 76 HE3 TRP 76 18.305 3.491 -3.664 580 HZ2 TRP 76 HZ2 TRP 76 22.996 4.475 -4.958 581 HZ3 TRP 76 HZ3 TRP 76 18.803 5.008 -5.522 582 HH2 TRP 76 HH2 TRP 76 21.105 5.501 -6.147 583 H THR 77 H THR 77 17.344 2.838 0.530 584 HA THR 77 HA THR 77 15.930 0.518 1.671 585 HB THR 77 HB THR 77 15.437 3.409 2.393 586 HG1 THR 77 HG1 THR 77 17.018 1.442 3.732 587 HG21 THR 77 HG21 THR 77 13.582 1.856 2.800 588 HG22 THR 77 HG22 THR 77 14.274 2.448 4.309 589 HG23 THR 77 HG23 THR 77 14.657 0.823 3.741 590 H CYS 78 H CYS 78 13.850 0.130 0.951 591 HA CYS 78 HA CYS 78 12.970 1.425 -1.453 592 HB2 CYS 78 HB2 CYS 78 12.526 -1.009 -0.833 593 HB3 CYS 78 HB3 CYS 78 11.347 -0.414 0.329 594 H CYS 79 H CYS 79 12.019 3.349 -1.473 595 HA CYS 79 HA CYS 79 10.889 4.335 1.055 596 HB2 CYS 79 HB2 CYS 79 12.678 5.696 0.553 597 HB3 CYS 79 HB3 CYS 79 12.388 5.648 -1.181 598 H LYS 80 H LYS 80 8.966 5.388 1.136 599 HA LYS 80 HA LYS 80 7.109 4.605 -0.947 600 HB2 LYS 80 HB2 LYS 80 6.801 4.431 1.630 601 HB3 LYS 80 HB3 LYS 80 6.380 6.134 1.531 602 HG2 LYS 80 HG2 LYS 80 4.656 5.484 -0.182 603 HG3 LYS 80 HG3 LYS 80 4.992 3.808 0.248 604 HD2 LYS 80 HD2 LYS 80 4.014 5.953 2.130 605 HD3 LYS 80 HD3 LYS 80 3.033 4.666 1.433 606 HE2 LYS 80 HE2 LYS 80 3.512 3.810 3.520 607 HE3 LYS 80 HE3 LYS 80 4.792 3.096 2.545 608 HZ1 LYS 80 HZ1 LYS 80 5.048 5.449 4.280 609 HZ2 LYS 80 HZ2 LYS 80 6.236 4.877 3.329 610 HZ3 LYS 80 HZ3 LYS 80 5.679 3.974 4.558 611 H GLU 81 H GLU 81 7.468 5.970 -2.647 612 HA GLU 81 HA GLU 81 7.136 7.781 -3.970 613 HB2 GLU 81 HB2 GLU 81 5.106 8.419 -1.831 614 HB3 GLU 81 HB3 GLU 81 5.211 9.244 -3.380 615 HG2 GLU 81 HG2 GLU 81 4.739 7.181 -4.548 616 HG3 GLU 81 HG3 GLU 81 4.729 6.297 -3.025 617 H ILE 82 H ILE 82 9.077 8.786 -3.862 618 HA ILE 82 HA ILE 82 10.081 10.330 -1.761 619 HB ILE 82 HB ILE 82 10.714 10.621 -4.705 620 HG12 ILE 82 HG12 ILE 82 12.080 8.971 -2.561 621 HG13 ILE 82 HG13 ILE 82 11.092 8.333 -3.872 622 HG21 ILE 82 HG21 ILE 82 12.834 11.590 -3.930 623 HG22 ILE 82 HG22 ILE 82 12.257 11.498 -2.266 624 HG23 ILE 82 HG23 ILE 82 11.444 12.551 -3.425 625 HD11 ILE 82 HD11 ILE 82 13.473 8.085 -4.326 626 HD12 ILE 82 HD12 ILE 82 13.681 9.833 -4.205 627 HD13 ILE 82 HD13 ILE 82 12.700 9.149 -5.501 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 -18.741 3.352 -3.042 2 H2 LEU 1 H2 LEU 1 -18.437 1.798 -2.677 3 H3 LEU 1 H3 LEU 1 -18.097 2.363 -4.163 4 HA LEU 1 HA LEU 1 -16.803 3.229 -1.694 5 HB2 LEU 1 HB2 LEU 1 -15.904 1.408 -3.912 6 HB3 LEU 1 HB3 LEU 1 -14.773 2.179 -2.825 7 HG LEU 1 HG LEU 1 -16.946 0.281 -2.017 8 HD11 LEU 1 HD11 LEU 1 -15.105 -1.281 -1.564 9 HD12 LEU 1 HD12 LEU 1 -13.977 -0.122 -2.264 10 HD13 LEU 1 HD13 LEU 1 -15.221 -0.858 -3.272 11 HD21 LEU 1 HD21 LEU 1 -14.735 1.559 -0.428 12 HD22 LEU 1 HD22 LEU 1 -15.787 0.273 0.160 13 HD23 LEU 1 HD23 LEU 1 -16.464 1.849 -0.245 14 HA PRO 2 HA PRO 2 -15.194 6.781 -3.820 15 HB2 PRO 2 HB2 PRO 2 -12.474 5.795 -3.121 16 HB3 PRO 2 HB3 PRO 2 -13.214 7.368 -2.807 17 HG2 PRO 2 HG2 PRO 2 -12.936 5.630 -0.832 18 HG3 PRO 2 HG3 PRO 2 -14.451 6.559 -0.987 19 HD2 PRO 2 HD2 PRO 2 -13.868 3.720 -1.792 20 HD3 PRO 2 HD3 PRO 2 -15.299 4.367 -0.965 21 H ARG 3 H ARG 3 -13.394 7.403 -5.427 22 HA ARG 3 HA ARG 3 -14.034 6.119 -7.785 23 HB2 ARG 3 HB2 ARG 3 -13.268 8.397 -7.772 24 HB3 ARG 3 HB3 ARG 3 -11.700 7.915 -7.139 25 HG2 ARG 3 HG2 ARG 3 -11.233 6.708 -9.207 26 HG3 ARG 3 HG3 ARG 3 -12.804 7.193 -9.842 27 HD2 ARG 3 HD2 ARG 3 -12.159 9.522 -9.749 28 HD3 ARG 3 HD3 ARG 3 -10.617 9.090 -9.010 29 HE ARG 3 HE ARG 3 -10.555 7.689 -11.295 30 HH11 ARG 3 HH11 ARG 3 -11.305 11.050 -10.651 31 HH12 ARG 3 HH12 ARG 3 -10.703 11.608 -12.179 32 HH21 ARG 3 HH21 ARG 3 -9.768 8.419 -13.303 33 HH22 ARG 3 HH22 ARG 3 -9.826 10.108 -13.688 34 H ASP 4 H ASP 4 -10.998 5.807 -5.924 35 HA ASP 4 HA ASP 4 -10.238 3.680 -7.822 36 HB2 ASP 4 HB2 ASP 4 -8.510 5.581 -6.256 37 HB3 ASP 4 HB3 ASP 4 -7.873 4.174 -7.099 38 H THR 5 H THR 5 -11.691 3.604 -5.079 39 HA THR 5 HA THR 5 -9.851 2.131 -3.443 40 HB THR 5 HB THR 5 -12.843 2.453 -3.181 41 HG1 THR 5 HG1 THR 5 -10.729 3.683 -1.712 42 HG21 THR 5 HG21 THR 5 -12.555 1.663 -0.898 43 HG22 THR 5 HG22 THR 5 -10.830 1.428 -1.176 44 HG23 THR 5 HG23 THR 5 -12.005 0.436 -2.039 45 H SER 6 H SER 6 -12.517 1.281 -5.609 46 HA SER 6 HA SER 6 -12.546 -1.475 -4.995 47 HB2 SER 6 HB2 SER 6 -14.438 -0.402 -6.070 48 HB3 SER 6 HB3 SER 6 -13.459 -0.017 -7.483 49 HG SER 6 HG SER 6 -13.575 -2.694 -6.711 50 H ARG 7 H ARG 7 -10.549 0.472 -7.044 51 HA ARG 7 HA ARG 7 -9.319 -1.723 -8.433 52 HB2 ARG 7 HB2 ARG 7 -9.285 0.425 -9.513 53 HB3 ARG 7 HB3 ARG 7 -8.597 1.196 -8.092 54 HG2 ARG 7 HG2 ARG 7 -6.793 -0.827 -8.836 55 HG3 ARG 7 HG3 ARG 7 -7.266 -0.002 -10.324 56 HD2 ARG 7 HD2 ARG 7 -6.263 1.358 -7.827 57 HD3 ARG 7 HD3 ARG 7 -5.272 0.983 -9.231 58 HE ARG 7 HE ARG 7 -7.548 2.867 -9.273 59 HH11 ARG 7 HH11 ARG 7 -4.383 1.852 -10.389 60 HH12 ARG 7 HH12 ARG 7 -4.112 3.288 -11.320 61 HH21 ARG 7 HH21 ARG 7 -7.184 4.765 -10.464 62 HH22 ARG 7 HH22 ARG 7 -5.708 4.944 -11.374 63 H CYS 8 H CYS 8 -8.538 0.339 -5.710 64 HA CYS 8 HA CYS 8 -5.888 -0.587 -5.362 65 HB2 CYS 8 HB2 CYS 8 -6.983 1.588 -4.608 66 HB3 CYS 8 HB3 CYS 8 -7.605 0.655 -3.259 67 H VAL 9 H VAL 9 -8.978 -1.530 -3.990 68 HA VAL 9 HA VAL 9 -8.156 -2.763 -1.665 69 HB VAL 9 HB VAL 9 -10.477 -2.368 -2.047 70 HG11 VAL 9 HG11 VAL 9 -10.486 -2.645 -4.466 71 HG12 VAL 9 HG12 VAL 9 -11.785 -3.570 -3.704 72 HG13 VAL 9 HG13 VAL 9 -10.331 -4.394 -4.268 73 HG21 VAL 9 HG21 VAL 9 -11.458 -4.539 -1.449 74 HG22 VAL 9 HG22 VAL 9 -9.978 -4.211 -0.549 75 HG23 VAL 9 HG23 VAL 9 -9.954 -5.336 -1.907 76 H GLY 10 H GLY 10 -8.246 -4.150 -4.935 77 HA2 GLY 10 HA2 GLY 10 -7.443 -6.754 -3.965 78 HA3 GLY 10 HA3 GLY 10 -7.587 -6.264 -5.647 79 H TYR 11 H TYR 11 -5.832 -3.850 -4.771 80 HA TYR 11 HA TYR 11 -3.380 -5.232 -5.542 81 HB2 TYR 11 HB2 TYR 11 -4.223 -2.349 -5.639 82 HB3 TYR 11 HB3 TYR 11 -2.556 -2.847 -5.890 83 HD1 TYR 11 HD1 TYR 11 -4.935 -1.582 -7.713 84 HD2 TYR 11 HD2 TYR 11 -2.911 -5.313 -7.469 85 HE1 TYR 11 HE1 TYR 11 -5.429 -2.001 -10.084 86 HE2 TYR 11 HE2 TYR 11 -3.399 -5.742 -9.833 87 HH TYR 11 HH TYR 11 -5.129 -5.001 -11.520 88 H HIS 12 H HIS 12 -4.289 -2.598 -3.301 89 HA HIS 12 HA HIS 12 -1.845 -3.259 -1.785 90 HB2 HIS 12 HB2 HIS 12 -2.953 -0.485 -1.693 91 HB3 HIS 12 HB3 HIS 12 -1.286 -1.031 -1.557 92 HD1 HIS 12 HD1 HIS 12 -3.448 0.705 -3.794 93 HD2 HIS 12 HD2 HIS 12 -0.323 -1.984 -4.264 94 HE1 HIS 12 HE1 HIS 12 -2.702 0.944 -6.181 95 HE2 HIS 12 HE2 HIS 12 -0.705 -0.586 -6.401 96 H GLY 13 H GLY 13 -4.903 -3.844 -1.545 97 HA2 GLY 13 HA2 GLY 13 -5.794 -4.696 0.496 98 HA3 GLY 13 HA3 GLY 13 -4.865 -3.487 1.371 99 H TYR 14 H TYR 14 -7.057 -3.287 2.428 100 HA TYR 14 HA TYR 14 -9.125 -1.992 0.841 101 HB2 TYR 14 HB2 TYR 14 -10.412 -2.025 2.991 102 HB3 TYR 14 HB3 TYR 14 -9.906 -3.612 2.427 103 HD1 TYR 14 HD1 TYR 14 -8.699 -5.031 3.829 104 HD2 TYR 14 HD2 TYR 14 -8.989 -0.906 4.809 105 HE1 TYR 14 HE1 TYR 14 -7.668 -5.483 6.012 106 HE2 TYR 14 HE2 TYR 14 -7.954 -1.342 6.995 107 HH TYR 14 HH TYR 14 -6.454 -4.326 7.745 108 H CYS 15 H CYS 15 -10.247 -0.132 2.452 109 HA CYS 15 HA CYS 15 -8.042 1.761 2.875 110 HB2 CYS 15 HB2 CYS 15 -9.726 1.860 0.721 111 HB3 CYS 15 HB3 CYS 15 -10.458 2.994 1.833 112 H ILE 16 H ILE 16 -8.119 1.904 4.994 113 HA ILE 16 HA ILE 16 -10.619 2.679 6.301 114 HB ILE 16 HB ILE 16 -9.375 2.555 8.414 115 HG12 ILE 16 HG12 ILE 16 -7.076 1.719 6.650 116 HG13 ILE 16 HG13 ILE 16 -7.154 3.150 7.661 117 HG21 ILE 16 HG21 ILE 16 -8.989 0.082 8.362 118 HG22 ILE 16 HG22 ILE 16 -9.277 0.149 6.620 119 HG23 ILE 16 HG23 ILE 16 -10.550 0.620 7.747 120 HD11 ILE 16 HD11 ILE 16 -7.189 1.752 9.654 121 HD12 ILE 16 HD12 ILE 16 -5.762 1.435 8.667 122 HD13 ILE 16 HD13 ILE 16 -7.118 0.308 8.644 123 H ARG 17 H ARG 17 -10.395 4.568 7.851 124 HA ARG 17 HA ARG 17 -9.680 6.737 6.072 125 HB2 ARG 17 HB2 ARG 17 -11.891 6.624 7.178 126 HB3 ARG 17 HB3 ARG 17 -11.102 6.827 8.733 127 HG2 ARG 17 HG2 ARG 17 -10.221 9.017 7.902 128 HG3 ARG 17 HG3 ARG 17 -11.249 8.812 6.482 129 HD2 ARG 17 HD2 ARG 17 -12.296 10.208 8.232 130 HD3 ARG 17 HD3 ARG 17 -13.221 8.754 7.861 131 HE ARG 17 HE ARG 17 -12.395 7.783 9.910 132 HH11 ARG 17 HH11 ARG 17 -11.916 11.230 9.549 133 HH12 ARG 17 HH12 ARG 17 -11.720 11.509 11.246 134 HH21 ARG 17 HH21 ARG 17 -12.137 8.138 12.139 135 HH22 ARG 17 HH22 ARG 17 -11.850 9.744 12.727 136 H SER 18 H SER 18 -8.122 5.185 8.637 137 HA SER 18 HA SER 18 -6.402 7.531 8.992 138 HB2 SER 18 HB2 SER 18 -7.393 5.714 11.194 139 HB3 SER 18 HB3 SER 18 -6.249 7.040 11.400 140 HG SER 18 HG SER 18 -8.250 8.139 10.212 141 H LYS 19 H LYS 19 -4.272 6.851 10.041 142 HA LYS 19 HA LYS 19 -3.230 4.703 8.389 143 HB2 LYS 19 HB2 LYS 19 -1.649 6.398 10.313 144 HB3 LYS 19 HB3 LYS 19 -1.090 5.598 8.849 145 HG2 LYS 19 HG2 LYS 19 -3.060 7.869 8.875 146 HG3 LYS 19 HG3 LYS 19 -1.327 8.064 8.672 147 HD2 LYS 19 HD2 LYS 19 -1.339 6.927 6.602 148 HD3 LYS 19 HD3 LYS 19 -2.962 6.292 6.881 149 HE2 LYS 19 HE2 LYS 19 -3.833 8.610 6.790 150 HE3 LYS 19 HE3 LYS 19 -2.214 9.173 6.383 151 HZ1 LYS 19 HZ1 LYS 19 -2.317 7.914 4.378 152 HZ2 LYS 19 HZ2 LYS 19 -3.647 8.849 4.448 153 HZ3 LYS 19 HZ3 LYS 19 -3.755 7.258 4.777 154 H VAL 20 H VAL 20 -4.898 4.241 10.777 155 HA VAL 20 HA VAL 20 -3.168 3.091 12.796 156 HB VAL 20 HB VAL 20 -6.094 2.581 12.844 157 HG11 VAL 20 HG11 VAL 20 -4.659 1.807 14.651 158 HG12 VAL 20 HG12 VAL 20 -5.793 3.030 15.225 159 HG13 VAL 20 HG13 VAL 20 -4.109 3.459 14.935 160 HG21 VAL 20 HG21 VAL 20 -6.025 4.857 12.025 161 HG22 VAL 20 HG22 VAL 20 -4.901 5.306 13.312 162 HG23 VAL 20 HG23 VAL 20 -6.551 4.831 13.712 163 H CYS 21 H CYS 21 -2.983 1.842 10.214 164 HA CYS 21 HA CYS 21 -4.529 -0.382 9.758 165 HB2 CYS 21 HB2 CYS 21 -1.559 -0.101 9.302 166 HB3 CYS 21 HB3 CYS 21 -2.622 -1.252 8.497 167 HA PRO 22 HA PRO 22 -3.676 -3.112 13.193 168 HB2 PRO 22 HB2 PRO 22 -4.950 -5.282 12.169 169 HB3 PRO 22 HB3 PRO 22 -5.810 -3.909 12.874 170 HG2 PRO 22 HG2 PRO 22 -5.276 -4.537 9.997 171 HG3 PRO 22 HG3 PRO 22 -6.769 -3.955 10.756 172 HD2 PRO 22 HD2 PRO 22 -5.086 -2.312 9.427 173 HD3 PRO 22 HD3 PRO 22 -6.030 -1.772 10.829 174 H LYS 23 H LYS 23 -3.091 -5.696 13.143 175 HA LYS 23 HA LYS 23 -0.805 -5.889 11.308 176 HB2 LYS 23 HB2 LYS 23 0.395 -5.791 13.205 177 HB3 LYS 23 HB3 LYS 23 -0.999 -6.125 14.213 178 HG2 LYS 23 HG2 LYS 23 0.292 -8.355 12.708 179 HG3 LYS 23 HG3 LYS 23 1.038 -7.746 14.185 180 HD2 LYS 23 HD2 LYS 23 -1.121 -8.117 15.362 181 HD3 LYS 23 HD3 LYS 23 -1.755 -8.846 13.887 182 HE2 LYS 23 HE2 LYS 23 0.621 -9.834 15.465 183 HE3 LYS 23 HE3 LYS 23 -0.993 -10.543 15.481 184 HZ1 LYS 23 HZ1 LYS 23 0.738 -10.362 13.118 185 HZ2 LYS 23 HZ2 LYS 23 -0.725 -11.066 13.169 186 HZ3 LYS 23 HZ3 LYS 23 0.509 -11.702 14.007 187 HA PRO 24 HA PRO 24 0.484 -7.032 10.485 188 HB2 PRO 24 HB2 PRO 24 1.103 -8.530 8.369 189 HB3 PRO 24 HB3 PRO 24 1.415 -9.102 10.011 190 HG2 PRO 24 HG2 PRO 24 -0.772 -9.843 8.122 191 HG3 PRO 24 HG3 PRO 24 0.119 -10.865 9.262 192 HD2 PRO 24 HD2 PRO 24 -2.409 -9.772 9.697 193 HD3 PRO 24 HD3 PRO 24 -1.327 -10.392 10.957 194 H PHE 25 H PHE 25 -0.410 -5.112 9.715 195 HA PHE 25 HA PHE 25 -1.097 -5.108 6.878 196 HB2 PHE 25 HB2 PHE 25 -2.836 -3.948 9.063 197 HB3 PHE 25 HB3 PHE 25 -2.938 -3.407 7.393 198 HD1 PHE 25 HD1 PHE 25 -4.314 -4.505 5.907 199 HD2 PHE 25 HD2 PHE 25 -3.180 -6.440 9.519 200 HE1 PHE 25 HE1 PHE 25 -5.883 -6.330 5.414 201 HE2 PHE 25 HE2 PHE 25 -4.756 -8.269 9.036 202 HZ PHE 25 HZ PHE 25 -6.096 -8.210 6.976 203 H ALA 26 H ALA 26 -0.335 -3.359 5.818 204 HA ALA 26 HA ALA 26 0.965 -1.304 7.483 205 HB1 ALA 26 HB1 ALA 26 1.866 -2.114 4.729 206 HB2 ALA 26 HB2 ALA 26 2.517 -2.826 6.204 207 HB3 ALA 26 HB3 ALA 26 2.717 -1.100 5.894 208 H ALA 27 H ALA 27 0.539 0.766 7.075 209 HA ALA 27 HA ALA 27 -1.530 1.636 5.407 210 HB1 ALA 27 HB1 ALA 27 -0.533 3.908 5.835 211 HB2 ALA 27 HB2 ALA 27 0.781 3.098 6.684 212 HB3 ALA 27 HB3 ALA 27 -0.870 2.965 7.286 213 H PHE 28 H PHE 28 -1.281 0.957 3.289 214 HA PHE 28 HA PHE 28 1.232 1.565 1.931 215 HB2 PHE 28 HB2 PHE 28 -0.804 -0.450 1.651 216 HB3 PHE 28 HB3 PHE 28 -0.604 0.400 0.129 217 HD1 PHE 28 HD1 PHE 28 0.471 -2.295 1.995 218 HD2 PHE 28 HD2 PHE 28 1.957 0.795 -0.517 219 HE1 PHE 28 HE1 PHE 28 2.453 -3.660 1.503 220 HE2 PHE 28 HE2 PHE 28 3.947 -0.560 -1.013 221 HZ PHE 28 HZ PHE 28 4.197 -2.793 -0.004 222 H GLY 29 H GLY 29 1.042 3.797 1.862 223 HA2 GLY 29 HA2 GLY 29 0.563 5.791 0.845 224 HA3 GLY 29 HA3 GLY 29 0.158 4.817 -0.555 225 H THR 30 H THR 30 -1.662 5.506 -1.318 226 HA THR 30 HA THR 30 -3.996 5.604 0.451 227 HB THR 30 HB THR 30 -4.818 7.640 -0.659 228 HG1 THR 30 HG1 THR 30 -3.085 7.053 -2.500 229 HG21 THR 30 HG21 THR 30 -2.075 7.850 0.573 230 HG22 THR 30 HG22 THR 30 -3.639 8.094 1.354 231 HG23 THR 30 HG23 THR 30 -3.049 9.261 0.169 232 H CYS 31 H CYS 31 -5.982 5.134 -0.668 233 HA CYS 31 HA CYS 31 -5.555 3.609 -3.108 234 HB2 CYS 31 HB2 CYS 31 -7.886 2.856 -2.788 235 HB3 CYS 31 HB3 CYS 31 -6.886 2.558 -1.373 236 H SER 32 H SER 32 -8.141 5.821 -2.115 237 HA SER 32 HA SER 32 -8.203 6.872 -4.856 238 HB2 SER 32 HB2 SER 32 -10.241 5.646 -4.027 239 HB3 SER 32 HB3 SER 32 -10.428 6.889 -2.792 240 HG SER 32 HG SER 32 -10.158 8.090 -5.159 241 H TRP 33 H TRP 33 -9.303 7.979 -1.661 242 HA TRP 33 HA TRP 33 -8.260 10.631 -2.216 243 HB2 TRP 33 HB2 TRP 33 -9.556 9.798 0.371 244 HB3 TRP 33 HB3 TRP 33 -9.532 11.386 -0.385 245 HD1 TRP 33 HD1 TRP 33 -12.066 9.324 0.546 246 HE1 TRP 33 HE1 TRP 33 -14.009 9.106 -1.128 247 HE3 TRP 33 HE3 TRP 33 -9.712 11.020 -3.672 248 HZ2 TRP 33 HZ2 TRP 33 -14.479 9.586 -3.861 249 HZ3 TRP 33 HZ3 TRP 33 -10.992 11.107 -5.772 250 HH2 TRP 33 HH2 TRP 33 -13.316 10.407 -5.861 251 H ARG 34 H ARG 34 -7.066 11.681 -0.316 252 HA ARG 34 HA ARG 34 -4.790 9.977 0.207 253 HB2 ARG 34 HB2 ARG 34 -4.453 12.247 -0.648 254 HB3 ARG 34 HB3 ARG 34 -5.240 12.908 0.777 255 HG2 ARG 34 HG2 ARG 34 -2.906 11.154 1.234 256 HG3 ARG 34 HG3 ARG 34 -2.607 12.734 0.520 257 HD2 ARG 34 HD2 ARG 34 -4.138 12.255 3.068 258 HD3 ARG 34 HD3 ARG 34 -2.445 12.743 2.986 259 HE ARG 34 HE ARG 34 -3.795 14.617 1.512 260 HH11 ARG 34 HH11 ARG 34 -4.021 13.426 4.791 261 HH12 ARG 34 HH12 ARG 34 -4.535 14.951 5.442 262 HH21 ARG 34 HH21 ARG 34 -4.477 16.623 2.362 263 HH22 ARG 34 HH22 ARG 34 -4.794 16.771 4.061 264 H GLN 35 H GLN 35 -7.385 11.489 1.931 265 HA GLN 35 HA GLN 35 -6.596 11.238 4.570 266 HB2 GLN 35 HB2 GLN 35 -9.365 10.603 3.551 267 HB3 GLN 35 HB3 GLN 35 -8.934 11.167 5.158 268 HG2 GLN 35 HG2 GLN 35 -8.143 13.293 4.097 269 HG3 GLN 35 HG3 GLN 35 -8.825 12.703 2.581 270 HE21 GLN 35 HE21 GLN 35 -11.060 11.388 3.937 271 HE22 GLN 35 HE22 GLN 35 -12.145 12.658 4.383 272 H LYS 36 H LYS 36 -8.371 8.828 2.640 273 HA LYS 36 HA LYS 36 -8.036 6.843 4.692 274 HB2 LYS 36 HB2 LYS 36 -9.176 5.326 3.049 275 HB3 LYS 36 HB3 LYS 36 -10.108 6.723 3.537 276 HG2 LYS 36 HG2 LYS 36 -9.067 7.766 1.355 277 HG3 LYS 36 HG3 LYS 36 -8.892 6.065 0.914 278 HD2 LYS 36 HD2 LYS 36 -11.457 7.435 1.727 279 HD3 LYS 36 HD3 LYS 36 -11.004 6.963 0.089 280 HE2 LYS 36 HE2 LYS 36 -11.470 4.785 0.446 281 HE3 LYS 36 HE3 LYS 36 -10.919 4.837 2.113 282 HZ1 LYS 36 HZ1 LYS 36 -13.316 4.493 1.869 283 HZ2 LYS 36 HZ2 LYS 36 -13.464 5.972 1.210 284 HZ3 LYS 36 HZ3 LYS 36 -12.961 5.817 2.745 285 H THR 37 H THR 37 -6.992 4.873 4.461 286 HA THR 37 HA THR 37 -4.552 5.110 2.824 287 HB THR 37 HB THR 37 -4.793 3.644 5.445 288 HG1 THR 37 HG1 THR 37 -5.351 5.811 5.821 289 HG21 THR 37 HG21 THR 37 -2.396 3.920 5.527 290 HG22 THR 37 HG22 THR 37 -2.422 4.893 4.058 291 HG23 THR 37 HG23 THR 37 -2.840 3.181 3.989 292 H CYS 38 H CYS 38 -3.813 3.276 1.753 293 HA CYS 38 HA CYS 38 -5.760 1.134 1.481 294 HB2 CYS 38 HB2 CYS 38 -4.256 2.368 -0.363 295 HB3 CYS 38 HB3 CYS 38 -3.140 1.077 0.064 296 H CYS 39 H CYS 39 -5.657 -0.316 3.103 297 HA CYS 39 HA CYS 39 -2.998 -1.030 4.136 298 HB2 CYS 39 HB2 CYS 39 -5.700 -1.237 5.468 299 HB3 CYS 39 HB3 CYS 39 -4.167 -1.718 6.183 300 H VAL 40 H VAL 40 -2.265 -2.849 3.358 301 HA VAL 40 HA VAL 40 -4.164 -5.027 2.766 302 HB VAL 40 HB VAL 40 -2.655 -4.049 0.922 303 HG11 VAL 40 HG11 VAL 40 -0.597 -3.940 2.163 304 HG12 VAL 40 HG12 VAL 40 -0.411 -4.988 0.760 305 HG13 VAL 40 HG13 VAL 40 -0.592 -5.689 2.368 306 HG21 VAL 40 HG21 VAL 40 -2.660 -7.019 1.436 307 HG22 VAL 40 HG22 VAL 40 -2.337 -6.246 -0.120 308 HG23 VAL 40 HG23 VAL 40 -3.925 -6.089 0.628 309 H ASP 41 H ASP 41 -3.585 -7.195 3.421 310 HA ASP 41 HA ASP 41 -2.298 -7.357 5.909 311 HB2 ASP 41 HB2 ASP 41 -2.668 -9.777 5.606 312 HB3 ASP 41 HB3 ASP 41 -4.115 -8.837 5.377 313 H THR 42 H THR 42 -0.240 -6.690 5.790 314 HA THR 42 HA THR 42 1.417 -7.393 3.562 315 HB THR 42 HB THR 42 3.136 -6.052 4.941 316 HG1 THR 42 HG1 THR 42 1.911 -6.341 6.936 317 HG21 THR 42 HG21 THR 42 1.786 -5.166 3.036 318 HG22 THR 42 HG22 THR 42 2.187 -3.955 4.249 319 HG23 THR 42 HG23 THR 42 0.566 -4.646 4.199 320 H THR 43 H THR 43 1.445 -9.721 3.908 321 HA THR 43 HA THR 43 3.565 -10.416 5.811 322 HB THR 43 HB THR 43 1.720 -11.753 6.381 323 HG1 THR 43 HG1 THR 43 2.455 -13.914 5.422 324 HG21 THR 43 HG21 THR 43 0.218 -12.789 4.967 325 HG22 THR 43 HG22 THR 43 1.360 -12.864 3.633 326 HG23 THR 43 HG23 THR 43 0.607 -11.327 4.059 327 H SER 44 H SER 44 2.480 -11.909 2.735 328 HA SER 44 HA SER 44 5.253 -11.909 1.821 329 HB2 SER 44 HB2 SER 44 3.920 -14.019 1.732 330 HB3 SER 44 HB3 SER 44 2.849 -13.232 0.580 331 HG SER 44 HG SER 44 5.225 -14.423 0.150 332 H ASP 45 H ASP 45 2.024 -10.964 0.732 333 HA ASP 45 HA ASP 45 2.750 -9.914 -1.767 334 HB2 ASP 45 HB2 ASP 45 0.336 -9.160 -0.109 335 HB3 ASP 45 HB3 ASP 45 0.502 -9.020 -1.854 336 H PHE 46 H PHE 46 3.234 -8.684 1.290 337 HA PHE 46 HA PHE 46 2.725 -5.967 1.075 338 HB2 PHE 46 HB2 PHE 46 3.997 -5.678 3.033 339 HB3 PHE 46 HB3 PHE 46 3.255 -7.261 3.140 340 HD1 PHE 46 HD1 PHE 46 4.897 -8.925 1.572 341 HD2 PHE 46 HD2 PHE 46 5.992 -5.812 4.207 342 HE1 PHE 46 HE1 PHE 46 7.027 -10.058 1.970 343 HE2 PHE 46 HE2 PHE 46 8.157 -6.905 4.619 344 HZ PHE 46 HZ PHE 46 8.693 -9.038 3.494 345 H HIS 47 H HIS 47 5.108 -7.816 -0.336 346 HA HIS 47 HA HIS 47 7.199 -6.070 -0.820 347 HB2 HIS 47 HB2 HIS 47 7.598 -8.270 -1.386 348 HB3 HIS 47 HB3 HIS 47 6.035 -8.470 -2.160 349 HD1 HIS 47 HD1 HIS 47 9.279 -6.591 -2.864 350 HD2 HIS 47 HD2 HIS 47 6.201 -8.600 -4.795 351 HE1 HIS 47 HE1 HIS 47 9.884 -6.542 -5.290 352 HE2 HIS 47 HE2 HIS 47 7.952 -7.660 -6.473 353 H THR 48 H THR 48 4.071 -5.533 -1.621 354 HA THR 48 HA THR 48 3.776 -4.634 -4.172 355 HB THR 48 HB THR 48 2.653 -3.398 -1.676 356 HG1 THR 48 HG1 THR 48 2.409 -5.855 -2.631 357 HG21 THR 48 HG21 THR 48 1.520 -3.466 -4.467 358 HG22 THR 48 HG22 THR 48 2.188 -2.047 -3.657 359 HG23 THR 48 HG23 THR 48 0.726 -2.812 -3.034 360 H CYS 49 H CYS 49 6.012 -3.214 -2.041 361 HA CYS 49 HA CYS 49 5.838 -0.529 -2.145 362 HB2 CYS 49 HB2 CYS 49 7.784 -0.892 -1.123 363 HB3 CYS 49 HB3 CYS 49 8.070 -2.395 -1.982 364 H GLN 50 H GLN 50 7.250 -2.387 -4.890 365 HA GLN 50 HA GLN 50 7.944 -0.096 -6.354 366 HB2 GLN 50 HB2 GLN 50 8.395 -1.532 -8.184 367 HB3 GLN 50 HB3 GLN 50 8.835 -2.413 -6.741 368 HG2 GLN 50 HG2 GLN 50 6.261 -2.772 -8.264 369 HG3 GLN 50 HG3 GLN 50 7.685 -3.793 -8.435 370 HE21 GLN 50 HE21 GLN 50 8.373 -3.851 -5.662 371 HE22 GLN 50 HE22 GLN 50 7.169 -4.793 -4.850 372 H ASP 51 H ASP 51 4.914 -1.761 -6.041 373 HA ASP 51 HA ASP 51 3.743 -0.596 -8.411 374 HB2 ASP 51 HB2 ASP 51 3.052 -2.822 -7.446 375 HB3 ASP 51 HB3 ASP 51 2.323 -1.943 -6.103 376 H LYS 52 H LYS 52 3.844 0.055 -4.970 377 HA LYS 52 HA LYS 52 1.785 2.035 -4.994 378 HB2 LYS 52 HB2 LYS 52 1.905 1.364 -2.861 379 HB3 LYS 52 HB3 LYS 52 3.468 0.623 -3.113 380 HG2 LYS 52 HG2 LYS 52 3.868 2.124 -1.452 381 HG3 LYS 52 HG3 LYS 52 4.384 3.009 -2.878 382 HD2 LYS 52 HD2 LYS 52 2.058 4.024 -2.926 383 HD3 LYS 52 HD3 LYS 52 1.821 3.335 -1.321 384 HE2 LYS 52 HE2 LYS 52 4.087 5.189 -2.018 385 HE3 LYS 52 HE3 LYS 52 2.545 5.743 -1.375 386 HZ1 LYS 52 HZ1 LYS 52 2.982 4.366 0.557 387 HZ2 LYS 52 HZ2 LYS 52 4.131 5.502 0.358 388 HZ3 LYS 52 HZ3 LYS 52 4.438 3.949 -0.039 389 H GLY 53 H GLY 53 5.131 1.964 -5.699 390 HA2 GLY 53 HA2 GLY 53 5.994 3.926 -6.922 391 HA3 GLY 53 HA3 GLY 53 5.210 4.917 -5.699 392 H GLY 54 H GLY 54 6.824 1.976 -4.825 393 HA2 GLY 54 HA2 GLY 54 8.568 3.266 -3.008 394 HA3 GLY 54 HA3 GLY 54 8.654 1.574 -3.497 395 H HIS 55 H HIS 55 10.566 4.009 -3.209 396 HA HIS 55 HA HIS 55 11.731 3.949 -5.905 397 HB2 HIS 55 HB2 HIS 55 12.055 5.883 -3.617 398 HB3 HIS 55 HB3 HIS 55 13.087 5.913 -5.041 399 HD1 HIS 55 HD1 HIS 55 12.161 6.994 -7.137 400 HD2 HIS 55 HD2 HIS 55 9.327 6.570 -4.119 401 HE1 HIS 55 HE1 HIS 55 10.165 8.332 -7.886 402 HE2 HIS 55 HE2 HIS 55 8.411 7.925 -6.121 403 H CYS 56 H CYS 56 14.228 4.300 -5.775 404 HA CYS 56 HA CYS 56 15.355 2.463 -3.783 405 HB2 CYS 56 HB2 CYS 56 15.770 2.451 -6.767 406 HB3 CYS 56 HB3 CYS 56 16.893 1.673 -5.657 407 H VAL 57 H VAL 57 16.940 3.389 -2.688 408 HA VAL 57 HA VAL 57 18.458 5.536 -4.000 409 HB VAL 57 HB VAL 57 18.419 6.865 -1.974 410 HG11 VAL 57 HG11 VAL 57 16.092 7.568 -1.997 411 HG12 VAL 57 HG12 VAL 57 15.644 6.067 -2.808 412 HG13 VAL 57 HG13 VAL 57 16.678 7.236 -3.629 413 HG21 VAL 57 HG21 VAL 57 18.262 5.135 -0.297 414 HG22 VAL 57 HG22 VAL 57 16.637 4.717 -0.841 415 HG23 VAL 57 HG23 VAL 57 16.940 6.285 -0.088 416 H SER 58 H SER 58 20.565 5.704 -3.498 417 HA SER 58 HA SER 58 21.834 3.351 -2.488 418 HB2 SER 58 HB2 SER 58 23.906 4.534 -3.161 419 HB3 SER 58 HB3 SER 58 22.703 4.534 -4.441 420 HG SER 58 HG SER 58 23.023 6.600 -4.435 421 HA PRO 59 HA PRO 59 22.865 4.295 1.743 422 HB2 PRO 59 HB2 PRO 59 25.695 4.582 0.839 423 HB3 PRO 59 HB3 PRO 59 25.038 3.680 2.208 424 HG2 PRO 59 HG2 PRO 59 25.772 2.471 -0.079 425 HG3 PRO 59 HG3 PRO 59 24.421 1.891 0.907 426 HD2 PRO 59 HD2 PRO 59 24.386 3.218 -1.718 427 HD3 PRO 59 HD3 PRO 59 23.149 2.215 -0.946 428 H LYS 60 H LYS 60 24.579 6.286 -0.668 429 HA LYS 60 HA LYS 60 25.145 8.411 1.117 430 HB2 LYS 60 HB2 LYS 60 25.813 9.661 -0.839 431 HB3 LYS 60 HB3 LYS 60 26.423 8.022 -0.945 432 HG2 LYS 60 HG2 LYS 60 24.649 7.444 -2.498 433 HG3 LYS 60 HG3 LYS 60 23.988 9.071 -2.367 434 HD2 LYS 60 HD2 LYS 60 26.807 8.572 -3.278 435 HD3 LYS 60 HD3 LYS 60 25.450 8.531 -4.400 436 HE2 LYS 60 HE2 LYS 60 26.258 10.714 -4.571 437 HE3 LYS 60 HE3 LYS 60 24.873 10.857 -3.497 438 HZ1 LYS 60 HZ1 LYS 60 26.353 10.972 -1.655 439 HZ2 LYS 60 HZ2 LYS 60 26.829 12.077 -2.743 440 HZ3 LYS 60 HZ3 LYS 60 27.656 10.689 -2.587 441 H ILE 61 H ILE 61 22.241 7.532 -0.472 442 HA ILE 61 HA ILE 61 21.238 10.228 -0.770 443 HB ILE 61 HB ILE 61 19.688 7.647 -0.904 444 HG12 ILE 61 HG12 ILE 61 21.663 7.797 -2.463 445 HG13 ILE 61 HG13 ILE 61 20.105 7.529 -3.231 446 HG21 ILE 61 HG21 ILE 61 18.314 9.639 -0.647 447 HG22 ILE 61 HG22 ILE 61 18.110 8.940 -2.252 448 HG23 ILE 61 HG23 ILE 61 19.107 10.377 -2.039 449 HD11 ILE 61 HD11 ILE 61 21.610 10.126 -3.084 450 HD12 ILE 61 HD12 ILE 61 20.020 9.904 -3.815 451 HD13 ILE 61 HD13 ILE 61 21.424 9.085 -4.497 452 H ARG 62 H ARG 62 20.064 11.311 0.646 453 HA ARG 62 HA ARG 62 19.336 9.941 3.128 454 HB2 ARG 62 HB2 ARG 62 19.813 12.873 2.583 455 HB3 ARG 62 HB3 ARG 62 19.222 12.239 4.118 456 HG2 ARG 62 HG2 ARG 62 21.247 10.842 4.277 457 HG3 ARG 62 HG3 ARG 62 21.853 11.599 2.805 458 HD2 ARG 62 HD2 ARG 62 21.861 13.767 3.897 459 HD3 ARG 62 HD3 ARG 62 21.186 13.050 5.362 460 HE ARG 62 HE ARG 62 23.648 11.837 4.495 461 HH11 ARG 62 HH11 ARG 62 22.268 14.459 6.361 462 HH12 ARG 62 HH12 ARG 62 23.641 14.599 7.410 463 HH21 ARG 62 HH21 ARG 62 25.451 12.014 5.881 464 HH22 ARG 62 HH22 ARG 62 25.452 13.215 7.133 465 H CYS 63 H CYS 63 17.542 9.040 2.428 466 HA CYS 63 HA CYS 63 15.204 10.766 2.071 467 HB2 CYS 63 HB2 CYS 63 15.799 9.938 -0.136 468 HB3 CYS 63 HB3 CYS 63 15.914 8.295 0.478 469 H LEU 64 H LEU 64 13.209 9.741 2.770 470 HA LEU 64 HA LEU 64 13.577 8.170 5.118 471 HB2 LEU 64 HB2 LEU 64 11.121 8.940 3.551 472 HB3 LEU 64 HB3 LEU 64 11.045 7.997 5.024 473 HG LEU 64 HG LEU 64 10.522 10.222 5.627 474 HD11 LEU 64 HD11 LEU 64 12.060 9.074 7.148 475 HD12 LEU 64 HD12 LEU 64 12.261 10.824 7.182 476 HD13 LEU 64 HD13 LEU 64 13.422 9.820 6.316 477 HD21 LEU 64 HD21 LEU 64 11.364 11.337 3.618 478 HD22 LEU 64 HD22 LEU 64 13.016 11.128 4.198 479 HD23 LEU 64 HD23 LEU 64 11.893 12.153 5.088 480 H GLU 65 H GLU 65 14.680 6.378 4.428 481 HA GLU 65 HA GLU 65 13.586 4.754 2.307 482 HB2 GLU 65 HB2 GLU 65 15.618 3.487 2.389 483 HB3 GLU 65 HB3 GLU 65 16.018 5.195 2.438 484 HG2 GLU 65 HG2 GLU 65 15.856 3.513 4.920 485 HG3 GLU 65 HG3 GLU 65 17.325 3.639 3.958 486 H GLU 66 H GLU 66 13.696 2.350 2.595 487 HA GLU 66 HA GLU 66 13.185 0.395 3.595 488 HB2 GLU 66 HB2 GLU 66 13.056 2.000 6.141 489 HB3 GLU 66 HB3 GLU 66 12.771 0.263 6.057 490 HG2 GLU 66 HG2 GLU 66 14.977 -0.131 5.254 491 HG3 GLU 66 HG3 GLU 66 15.269 1.599 5.091 492 H GLN 67 H GLN 67 11.479 1.315 2.071 493 HA GLN 67 HA GLN 67 8.868 1.549 3.273 494 HB2 GLN 67 HB2 GLN 67 9.379 2.587 1.084 495 HB3 GLN 67 HB3 GLN 67 9.632 0.988 0.399 496 HG2 GLN 67 HG2 GLN 67 7.315 0.417 0.777 497 HG3 GLN 67 HG3 GLN 67 7.039 1.958 1.584 498 HE21 GLN 67 HE21 GLN 67 5.750 0.821 -0.778 499 HE22 GLN 67 HE22 GLN 67 5.998 1.969 -2.050 500 H LEU 68 H LEU 68 9.680 -0.778 0.743 501 HA LEU 68 HA LEU 68 9.166 -3.006 2.553 502 HB2 LEU 68 HB2 LEU 68 7.533 -2.369 0.119 503 HB3 LEU 68 HB3 LEU 68 7.756 -4.031 0.616 504 HG LEU 68 HG LEU 68 5.692 -3.430 1.514 505 HD11 LEU 68 HD11 LEU 68 7.192 -4.500 3.149 506 HD12 LEU 68 HD12 LEU 68 5.949 -3.493 3.892 507 HD13 LEU 68 HD13 LEU 68 7.606 -2.903 3.772 508 HD21 LEU 68 HD21 LEU 68 5.778 -1.054 1.114 509 HD22 LEU 68 HD22 LEU 68 6.928 -0.850 2.437 510 HD23 LEU 68 HD23 LEU 68 5.275 -1.371 2.774 511 H GLY 69 H GLY 69 11.473 -3.314 2.204 512 HA2 GLY 69 HA2 GLY 69 12.337 -5.459 1.314 513 HA3 GLY 69 HA3 GLY 69 11.769 -4.920 -0.254 514 H LEU 70 H LEU 70 14.151 -5.781 -0.309 515 HA LEU 70 HA LEU 70 16.024 -3.531 -0.078 516 HB2 LEU 70 HB2 LEU 70 16.385 -5.977 0.841 517 HB3 LEU 70 HB3 LEU 70 16.788 -6.335 -0.823 518 HG LEU 70 HG LEU 70 18.203 -4.201 0.771 519 HD11 LEU 70 HD11 LEU 70 18.488 -6.334 1.901 520 HD12 LEU 70 HD12 LEU 70 19.987 -5.837 1.114 521 HD13 LEU 70 HD13 LEU 70 18.977 -7.087 0.384 522 HD21 LEU 70 HD21 LEU 70 18.997 -5.704 -1.716 523 HD22 LEU 70 HD22 LEU 70 19.931 -4.445 -0.909 524 HD23 LEU 70 HD23 LEU 70 18.391 -4.049 -1.671 525 H CYS 71 H CYS 71 16.908 -2.649 -1.886 526 HA CYS 71 HA CYS 71 15.488 -3.078 -4.342 527 HB2 CYS 71 HB2 CYS 71 17.539 -1.115 -3.388 528 HB3 CYS 71 HB3 CYS 71 17.115 -1.200 -5.096 529 HA PRO 72 HA PRO 72 18.040 -5.478 -7.081 530 HB2 PRO 72 HB2 PRO 72 18.727 -2.813 -8.293 531 HB3 PRO 72 HB3 PRO 72 18.373 -4.353 -9.099 532 HG2 PRO 72 HG2 PRO 72 16.491 -2.478 -8.869 533 HG3 PRO 72 HG3 PRO 72 16.095 -4.196 -8.693 534 HD2 PRO 72 HD2 PRO 72 16.201 -2.072 -6.646 535 HD3 PRO 72 HD3 PRO 72 15.325 -3.614 -6.629 536 H LEU 73 H LEU 73 19.742 -2.343 -6.516 537 HA LEU 73 HA LEU 73 22.263 -3.653 -6.214 538 HB2 LEU 73 HB2 LEU 73 21.432 -0.893 -5.327 539 HB3 LEU 73 HB3 LEU 73 23.057 -1.525 -5.216 540 HG LEU 73 HG LEU 73 23.201 -0.238 -7.059 541 HD11 LEU 73 HD11 LEU 73 23.925 -2.488 -7.606 542 HD12 LEU 73 HD12 LEU 73 23.332 -1.618 -9.021 543 HD13 LEU 73 HD13 LEU 73 22.322 -2.845 -8.252 544 HD21 LEU 73 HD21 LEU 73 21.033 0.582 -7.298 545 HD22 LEU 73 HD22 LEU 73 20.383 -1.012 -7.700 546 HD23 LEU 73 HD23 LEU 73 21.420 -0.167 -8.849 547 H LYS 74 H LYS 74 23.350 -4.158 -4.395 548 HA LYS 74 HA LYS 74 21.640 -5.256 -2.402 549 HB2 LYS 74 HB2 LYS 74 23.679 -6.380 -3.236 550 HB3 LYS 74 HB3 LYS 74 24.655 -5.144 -2.454 551 HG2 LYS 74 HG2 LYS 74 24.605 -7.143 -1.104 552 HG3 LYS 74 HG3 LYS 74 23.759 -5.835 -0.276 553 HD2 LYS 74 HD2 LYS 74 21.615 -6.753 -1.060 554 HD3 LYS 74 HD3 LYS 74 22.482 -8.082 -1.832 555 HE2 LYS 74 HE2 LYS 74 22.404 -7.449 1.113 556 HE3 LYS 74 HE3 LYS 74 21.595 -8.792 0.306 557 HZ1 LYS 74 HZ1 LYS 74 24.493 -8.406 0.554 558 HZ2 LYS 74 HZ2 LYS 74 23.799 -9.595 -0.314 559 HZ3 LYS 74 HZ3 LYS 74 23.598 -9.548 1.297 560 H ARG 75 H ARG 75 23.562 -2.384 -2.570 561 HA ARG 75 HA ARG 75 23.539 -1.995 0.315 562 HB2 ARG 75 HB2 ARG 75 24.650 -0.334 -1.937 563 HB3 ARG 75 HB3 ARG 75 24.794 0.078 -0.232 564 HG2 ARG 75 HG2 ARG 75 26.128 -1.831 0.206 565 HG3 ARG 75 HG3 ARG 75 25.807 -2.493 -1.397 566 HD2 ARG 75 HD2 ARG 75 27.278 0.067 -0.831 567 HD3 ARG 75 HD3 ARG 75 28.036 -1.477 -1.217 568 HE ARG 75 HE ARG 75 26.138 -0.675 -3.204 569 HH11 ARG 75 HH11 ARG 75 29.416 -0.232 -2.071 570 HH12 ARG 75 HH12 ARG 75 30.027 0.270 -3.616 571 HH21 ARG 75 HH21 ARG 75 26.926 0.004 -5.248 572 HH22 ARG 75 HH22 ARG 75 28.606 0.402 -5.428 573 H TRP 76 H TRP 76 21.357 -1.518 -2.083 574 HA TRP 76 HA TRP 76 20.530 1.147 -1.196 575 HB2 TRP 76 HB2 TRP 76 19.658 -0.501 -3.571 576 HB3 TRP 76 HB3 TRP 76 19.039 1.095 -3.173 577 HD1 TRP 76 HD1 TRP 76 22.761 0.024 -3.190 578 HE1 TRP 76 HE1 TRP 76 23.997 1.485 -4.909 579 HE3 TRP 76 HE3 TRP 76 18.796 2.688 -4.984 580 HZ2 TRP 76 HZ2 TRP 76 23.360 3.485 -6.760 581 HZ3 TRP 76 HZ3 TRP 76 19.191 4.386 -6.703 582 HH2 TRP 76 HH2 TRP 76 21.442 4.786 -7.560 583 H THR 77 H THR 77 18.559 1.555 -0.347 584 HA THR 77 HA THR 77 16.945 -0.795 0.388 585 HB THR 77 HB THR 77 16.927 1.928 1.701 586 HG1 THR 77 HG1 THR 77 18.900 0.333 1.825 587 HG21 THR 77 HG21 THR 77 15.802 -0.751 2.513 588 HG22 THR 77 HG22 THR 77 14.885 0.679 2.038 589 HG23 THR 77 HG23 THR 77 15.822 0.687 3.531 590 H CYS 78 H CYS 78 14.754 -0.803 -0.062 591 HA CYS 78 HA CYS 78 13.742 0.950 -2.053 592 HB2 CYS 78 HB2 CYS 78 12.843 -1.307 -1.818 593 HB3 CYS 78 HB3 CYS 78 12.310 -0.953 -0.179 594 H CYS 79 H CYS 79 13.050 2.963 -1.773 595 HA CYS 79 HA CYS 79 12.632 3.854 0.991 596 HB2 CYS 79 HB2 CYS 79 14.462 4.994 0.126 597 HB3 CYS 79 HB3 CYS 79 13.713 5.230 -1.446 598 H LYS 80 H LYS 80 10.913 5.101 1.568 599 HA LYS 80 HA LYS 80 8.622 4.725 -0.183 600 HB2 LYS 80 HB2 LYS 80 8.586 4.048 2.250 601 HB3 LYS 80 HB3 LYS 80 8.609 5.763 2.645 602 HG2 LYS 80 HG2 LYS 80 6.552 5.992 1.200 603 HG3 LYS 80 HG3 LYS 80 6.487 4.229 1.184 604 HD2 LYS 80 HD2 LYS 80 6.466 5.936 3.663 605 HD3 LYS 80 HD3 LYS 80 5.038 5.247 2.892 606 HE2 LYS 80 HE2 LYS 80 5.897 3.003 3.274 607 HE3 LYS 80 HE3 LYS 80 7.358 3.671 3.998 608 HZ1 LYS 80 HZ1 LYS 80 6.073 4.517 5.775 609 HZ2 LYS 80 HZ2 LYS 80 5.665 2.955 5.604 610 HZ3 LYS 80 HZ3 LYS 80 4.665 4.113 5.067 611 H GLU 81 H GLU 81 8.790 6.315 -1.682 612 HA GLU 81 HA GLU 81 8.108 8.276 -2.590 613 HB2 GLU 81 HB2 GLU 81 7.064 8.787 0.196 614 HB3 GLU 81 HB3 GLU 81 6.704 9.782 -1.208 615 HG2 GLU 81 HG2 GLU 81 5.467 8.081 -2.237 616 HG3 GLU 81 HG3 GLU 81 6.106 6.847 -1.157 617 H ILE 82 H ILE 82 10.143 9.031 -3.048 618 HA ILE 82 HA ILE 82 11.738 10.490 -1.182 619 HB ILE 82 HB ILE 82 11.926 10.562 -4.201 620 HG12 ILE 82 HG12 ILE 82 13.365 8.747 -2.243 621 HG13 ILE 82 HG13 ILE 82 12.091 8.248 -3.354 622 HG21 ILE 82 HG21 ILE 82 13.931 11.227 -2.048 623 HG22 ILE 82 HG22 ILE 82 13.116 12.372 -3.112 624 HG23 ILE 82 HG23 ILE 82 14.262 11.210 -3.781 625 HD11 ILE 82 HD11 ILE 82 13.515 8.816 -5.252 626 HD12 ILE 82 HD12 ILE 82 14.292 7.638 -4.192 627 HD13 ILE 82 HD13 ILE 82 14.789 9.329 -4.146 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 -18.122 4.459 -4.133 2 H2 LEU 1 H2 LEU 1 -18.107 2.915 -3.636 3 H3 LEU 1 H3 LEU 1 -17.479 3.306 -5.084 4 HA LEU 1 HA LEU 1 -16.437 4.166 -2.494 5 HB2 LEU 1 HB2 LEU 1 -15.503 2.095 -4.466 6 HB3 LEU 1 HB3 LEU 1 -14.438 2.774 -3.258 7 HG LEU 1 HG LEU 1 -16.963 1.268 -2.683 8 HD11 LEU 1 HD11 LEU 1 -15.285 -0.182 -3.673 9 HD12 LEU 1 HD12 LEU 1 -15.495 -0.546 -1.960 10 HD13 LEU 1 HD13 LEU 1 -14.097 0.383 -2.500 11 HD21 LEU 1 HD21 LEU 1 -14.777 2.261 -0.868 12 HD22 LEU 1 HD22 LEU 1 -16.100 1.206 -0.376 13 HD23 LEU 1 HD23 LEU 1 -16.441 2.846 -0.925 14 HA PRO 2 HA PRO 2 -14.089 7.351 -4.491 15 HB2 PRO 2 HB2 PRO 2 -11.649 6.097 -3.337 16 HB3 PRO 2 HB3 PRO 2 -12.234 7.759 -3.197 17 HG2 PRO 2 HG2 PRO 2 -12.469 6.100 -1.146 18 HG3 PRO 2 HG3 PRO 2 -13.810 7.199 -1.558 19 HD2 PRO 2 HD2 PRO 2 -13.496 4.274 -2.155 20 HD3 PRO 2 HD3 PRO 2 -14.934 5.148 -1.593 21 H ARG 3 H ARG 3 -12.266 7.729 -5.970 22 HA ARG 3 HA ARG 3 -12.666 6.361 -8.289 23 HB2 ARG 3 HB2 ARG 3 -11.638 8.582 -8.109 24 HB3 ARG 3 HB3 ARG 3 -10.161 7.845 -7.506 25 HG2 ARG 3 HG2 ARG 3 -9.949 6.623 -9.647 26 HG3 ARG 3 HG3 ARG 3 -11.367 7.492 -10.241 27 HD2 ARG 3 HD2 ARG 3 -8.720 8.657 -9.406 28 HD3 ARG 3 HD3 ARG 3 -9.410 8.621 -11.028 29 HE ARG 3 HE ARG 3 -11.260 10.032 -9.870 30 HH11 ARG 3 HH11 ARG 3 -7.804 10.243 -9.331 31 HH12 ARG 3 HH12 ARG 3 -7.864 11.891 -8.798 32 HH21 ARG 3 HH21 ARG 3 -11.331 12.207 -9.170 33 HH22 ARG 3 HH22 ARG 3 -9.861 13.007 -8.711 34 H ASP 4 H ASP 4 -9.966 5.809 -6.027 35 HA ASP 4 HA ASP 4 -9.170 3.559 -7.748 36 HB2 ASP 4 HB2 ASP 4 -7.508 5.355 -6.002 37 HB3 ASP 4 HB3 ASP 4 -6.900 3.833 -6.644 38 H THR 5 H THR 5 -10.923 3.833 -5.101 39 HA THR 5 HA THR 5 -9.501 2.206 -3.246 40 HB THR 5 HB THR 5 -12.465 2.778 -3.398 41 HG1 THR 5 HG1 THR 5 -10.749 3.916 -1.497 42 HG21 THR 5 HG21 THR 5 -12.500 2.119 -1.037 43 HG22 THR 5 HG22 THR 5 -10.793 1.688 -1.127 44 HG23 THR 5 HG23 THR 5 -11.983 0.778 -2.060 45 H SER 6 H SER 6 -12.029 1.492 -5.649 46 HA SER 6 HA SER 6 -12.291 -1.236 -4.953 47 HB2 SER 6 HB2 SER 6 -13.995 0.022 -6.214 48 HB3 SER 6 HB3 SER 6 -12.902 0.116 -7.590 49 HG SER 6 HG SER 6 -13.048 -2.085 -7.850 50 H ARG 7 H ARG 7 -10.097 0.520 -7.004 51 HA ARG 7 HA ARG 7 -8.898 -1.779 -8.210 52 HB2 ARG 7 HB2 ARG 7 -8.653 0.339 -9.328 53 HB3 ARG 7 HB3 ARG 7 -7.970 1.082 -7.887 54 HG2 ARG 7 HG2 ARG 7 -6.421 -1.207 -8.695 55 HG3 ARG 7 HG3 ARG 7 -6.583 -0.051 -10.019 56 HD2 ARG 7 HD2 ARG 7 -5.720 0.703 -7.230 57 HD3 ARG 7 HD3 ARG 7 -4.590 0.263 -8.506 58 HE ARG 7 HE ARG 7 -6.454 2.516 -8.866 59 HH11 ARG 7 HH11 ARG 7 -3.184 1.240 -8.796 60 HH12 ARG 7 HH12 ARG 7 -2.463 2.728 -9.312 61 HH21 ARG 7 HH21 ARG 7 -5.499 4.472 -9.538 62 HH22 ARG 7 HH22 ARG 7 -3.769 4.565 -9.729 63 H CYS 8 H CYS 8 -8.142 0.301 -5.468 64 HA CYS 8 HA CYS 8 -5.587 -0.785 -4.961 65 HB2 CYS 8 HB2 CYS 8 -6.822 1.428 -4.156 66 HB3 CYS 8 HB3 CYS 8 -7.164 0.416 -2.761 67 H VAL 9 H VAL 9 -8.793 -1.487 -3.664 68 HA VAL 9 HA VAL 9 -8.111 -2.818 -1.350 69 HB VAL 9 HB VAL 9 -10.389 -2.160 -1.858 70 HG11 VAL 9 HG11 VAL 9 -10.387 -4.381 -3.890 71 HG12 VAL 9 HG12 VAL 9 -10.411 -2.650 -4.234 72 HG13 VAL 9 HG13 VAL 9 -11.782 -3.408 -3.419 73 HG21 VAL 9 HG21 VAL 9 -11.572 -4.164 -1.080 74 HG22 VAL 9 HG22 VAL 9 -10.077 -3.893 -0.185 75 HG23 VAL 9 HG23 VAL 9 -10.142 -5.135 -1.434 76 H GLY 10 H GLY 10 -8.207 -4.118 -4.632 77 HA2 GLY 10 HA2 GLY 10 -7.674 -6.809 -3.689 78 HA3 GLY 10 HA3 GLY 10 -7.802 -6.295 -5.366 79 H TYR 11 H TYR 11 -5.838 -4.055 -4.659 80 HA TYR 11 HA TYR 11 -3.518 -5.682 -5.362 81 HB2 TYR 11 HB2 TYR 11 -4.185 -2.773 -5.696 82 HB3 TYR 11 HB3 TYR 11 -2.541 -3.361 -5.889 83 HD1 TYR 11 HD1 TYR 11 -2.919 -5.909 -7.257 84 HD2 TYR 11 HD2 TYR 11 -4.922 -2.202 -7.816 85 HE1 TYR 11 HE1 TYR 11 -3.400 -6.530 -9.581 86 HE2 TYR 11 HE2 TYR 11 -5.413 -2.813 -10.146 87 HH TYR 11 HH TYR 11 -5.025 -5.968 -11.335 88 H HIS 12 H HIS 12 -4.181 -2.852 -3.300 89 HA HIS 12 HA HIS 12 -1.753 -3.549 -1.780 90 HB2 HIS 12 HB2 HIS 12 -2.804 -0.741 -1.883 91 HB3 HIS 12 HB3 HIS 12 -1.162 -1.304 -1.605 92 HD1 HIS 12 HD1 HIS 12 -3.007 0.428 -4.031 93 HD2 HIS 12 HD2 HIS 12 -0.203 -2.631 -4.214 94 HE1 HIS 12 HE1 HIS 12 -2.128 0.455 -6.389 95 HE2 HIS 12 HE2 HIS 12 -0.433 -1.418 -6.489 96 H GLY 13 H GLY 13 -4.848 -3.949 -1.504 97 HA2 GLY 13 HA2 GLY 13 -5.727 -4.734 0.567 98 HA3 GLY 13 HA3 GLY 13 -4.728 -3.554 1.398 99 H TYR 14 H TYR 14 -7.037 -3.469 2.393 100 HA TYR 14 HA TYR 14 -8.949 -1.963 0.817 101 HB2 TYR 14 HB2 TYR 14 -10.412 -2.172 2.808 102 HB3 TYR 14 HB3 TYR 14 -9.834 -3.726 2.225 103 HD1 TYR 14 HD1 TYR 14 -9.814 -1.354 4.971 104 HD2 TYR 14 HD2 TYR 14 -8.149 -4.984 3.518 105 HE1 TYR 14 HE1 TYR 14 -9.009 -1.874 7.233 106 HE2 TYR 14 HE2 TYR 14 -7.338 -5.519 5.774 107 HH TYR 14 HH TYR 14 -8.378 -3.858 8.544 108 H CYS 15 H CYS 15 -9.940 0.046 1.786 109 HA CYS 15 HA CYS 15 -7.619 1.669 2.564 110 HB2 CYS 15 HB2 CYS 15 -8.489 1.875 0.202 111 HB3 CYS 15 HB3 CYS 15 -9.934 2.603 0.893 112 H ILE 16 H ILE 16 -7.865 2.045 4.627 113 HA ILE 16 HA ILE 16 -10.473 2.769 5.723 114 HB ILE 16 HB ILE 16 -9.448 2.472 7.937 115 HG12 ILE 16 HG12 ILE 16 -6.998 1.613 6.385 116 HG13 ILE 16 HG13 ILE 16 -7.134 3.062 7.373 117 HG21 ILE 16 HG21 ILE 16 -10.578 0.625 6.894 118 HG22 ILE 16 HG22 ILE 16 -9.188 0.039 7.806 119 HG23 ILE 16 HG23 ILE 16 -9.102 0.164 6.046 120 HD11 ILE 16 HD11 ILE 16 -7.431 1.684 9.360 121 HD12 ILE 16 HD12 ILE 16 -5.920 1.308 8.534 122 HD13 ILE 16 HD13 ILE 16 -7.305 0.229 8.374 123 H ARG 17 H ARG 17 -9.877 4.351 7.804 124 HA ARG 17 HA ARG 17 -9.480 6.840 6.520 125 HB2 ARG 17 HB2 ARG 17 -9.665 7.792 8.793 126 HB3 ARG 17 HB3 ARG 17 -10.946 6.637 8.454 127 HG2 ARG 17 HG2 ARG 17 -9.754 4.938 9.735 128 HG3 ARG 17 HG3 ARG 17 -8.451 6.084 10.050 129 HD2 ARG 17 HD2 ARG 17 -9.965 7.504 11.299 130 HD3 ARG 17 HD3 ARG 17 -11.320 6.442 10.918 131 HE ARG 17 HE ARG 17 -9.863 4.701 12.155 132 HH11 ARG 17 HH11 ARG 17 -10.150 8.091 12.985 133 HH12 ARG 17 HH12 ARG 17 -9.804 7.841 14.664 134 HH21 ARG 17 HH21 ARG 17 -9.403 4.368 14.370 135 HH22 ARG 17 HH22 ARG 17 -9.379 5.723 15.453 136 H SER 18 H SER 18 -7.385 4.955 8.733 137 HA SER 18 HA SER 18 -5.208 6.812 8.147 138 HB2 SER 18 HB2 SER 18 -6.194 6.212 10.936 139 HB3 SER 18 HB3 SER 18 -4.751 7.143 10.543 140 HG SER 18 HG SER 18 -6.651 8.260 9.165 141 H LYS 19 H LYS 19 -3.378 6.036 9.942 142 HA LYS 19 HA LYS 19 -2.498 3.590 8.683 143 HB2 LYS 19 HB2 LYS 19 -0.949 4.959 10.843 144 HB3 LYS 19 HB3 LYS 19 -0.367 4.180 9.380 145 HG2 LYS 19 HG2 LYS 19 -1.827 6.808 9.470 146 HG3 LYS 19 HG3 LYS 19 -0.087 6.612 9.353 147 HD2 LYS 19 HD2 LYS 19 -0.206 5.738 7.193 148 HD3 LYS 19 HD3 LYS 19 -1.919 5.344 7.354 149 HE2 LYS 19 HE2 LYS 19 -1.552 7.290 5.899 150 HE3 LYS 19 HE3 LYS 19 -2.496 7.697 7.332 151 HZ1 LYS 19 HZ1 LYS 19 0.384 8.190 7.037 152 HZ2 LYS 19 HZ2 LYS 19 -0.537 8.634 8.299 153 HZ3 LYS 19 HZ3 LYS 19 -0.772 9.318 6.846 154 H VAL 20 H VAL 20 -4.652 3.693 10.742 155 HA VAL 20 HA VAL 20 -3.636 2.292 13.055 156 HB VAL 20 HB VAL 20 -6.547 2.516 12.303 157 HG11 VAL 20 HG11 VAL 20 -6.878 2.532 14.727 158 HG12 VAL 20 HG12 VAL 20 -5.134 2.424 14.966 159 HG13 VAL 20 HG13 VAL 20 -6.002 1.092 14.204 160 HG21 VAL 20 HG21 VAL 20 -4.879 4.619 13.678 161 HG22 VAL 20 HG22 VAL 20 -6.633 4.658 13.484 162 HG23 VAL 20 HG23 VAL 20 -5.586 4.740 12.068 163 H CYS 21 H CYS 21 -3.107 1.051 10.529 164 HA CYS 21 HA CYS 21 -4.889 -1.025 9.893 165 HB2 CYS 21 HB2 CYS 21 -1.895 -1.015 9.513 166 HB3 CYS 21 HB3 CYS 21 -3.090 -1.885 8.554 167 HA PRO 22 HA PRO 22 -4.031 -3.937 13.208 168 HB2 PRO 22 HB2 PRO 22 -5.166 -6.106 12.030 169 HB3 PRO 22 HB3 PRO 22 -6.115 -4.823 12.789 170 HG2 PRO 22 HG2 PRO 22 -5.494 -5.262 9.895 171 HG3 PRO 22 HG3 PRO 22 -7.025 -4.787 10.652 172 HD2 PRO 22 HD2 PRO 22 -5.380 -3.005 9.450 173 HD3 PRO 22 HD3 PRO 22 -6.391 -2.578 10.845 174 H LYS 23 H LYS 23 -3.255 -6.457 13.053 175 HA LYS 23 HA LYS 23 -1.036 -6.457 11.134 176 HB2 LYS 23 HB2 LYS 23 0.151 -6.185 13.060 177 HB3 LYS 23 HB3 LYS 23 -1.111 -6.872 14.064 178 HG2 LYS 23 HG2 LYS 23 0.517 -8.650 12.303 179 HG3 LYS 23 HG3 LYS 23 1.174 -8.071 13.838 180 HD2 LYS 23 HD2 LYS 23 -0.806 -8.963 14.994 181 HD3 LYS 23 HD3 LYS 23 -1.412 -9.577 13.456 182 HE2 LYS 23 HE2 LYS 23 -0.351 -11.379 14.648 183 HE3 LYS 23 HE3 LYS 23 0.647 -10.954 13.258 184 HZ1 LYS 23 HZ1 LYS 23 1.143 -10.033 15.999 185 HZ2 LYS 23 HZ2 LYS 23 2.098 -9.766 14.712 186 HZ3 LYS 23 HZ3 LYS 23 1.923 -11.275 15.291 187 HA PRO 24 HA PRO 24 0.353 -7.606 10.346 188 HB2 PRO 24 HB2 PRO 24 0.994 -9.067 8.214 189 HB3 PRO 24 HB3 PRO 24 1.284 -9.674 9.848 190 HG2 PRO 24 HG2 PRO 24 -0.888 -10.367 7.924 191 HG3 PRO 24 HG3 PRO 24 -0.007 -11.418 9.044 192 HD2 PRO 24 HD2 PRO 24 -2.534 -10.318 9.488 193 HD3 PRO 24 HD3 PRO 24 -1.468 -10.990 10.736 194 H PHE 25 H PHE 25 -0.579 -5.680 9.633 195 HA PHE 25 HA PHE 25 -1.198 -5.604 6.782 196 HB2 PHE 25 HB2 PHE 25 -2.986 -4.473 8.947 197 HB3 PHE 25 HB3 PHE 25 -3.060 -3.934 7.276 198 HD1 PHE 25 HD1 PHE 25 -4.382 -5.056 5.749 199 HD2 PHE 25 HD2 PHE 25 -3.348 -6.966 9.408 200 HE1 PHE 25 HE1 PHE 25 -5.914 -6.903 5.218 201 HE2 PHE 25 HE2 PHE 25 -4.890 -8.806 8.883 202 HZ PHE 25 HZ PHE 25 -6.167 -8.772 6.786 203 H ALA 26 H ALA 26 -0.512 -3.741 5.791 204 HA ALA 26 HA ALA 26 0.917 -1.867 7.570 205 HB1 ALA 26 HB1 ALA 26 2.676 -1.654 5.981 206 HB2 ALA 26 HB2 ALA 26 1.787 -2.592 4.784 207 HB3 ALA 26 HB3 ALA 26 2.404 -3.379 6.236 208 H ALA 27 H ALA 27 0.489 0.215 7.370 209 HA ALA 27 HA ALA 27 -1.399 1.339 5.657 210 HB1 ALA 27 HB1 ALA 27 -0.401 3.498 6.356 211 HB2 ALA 27 HB2 ALA 27 0.929 2.610 7.099 212 HB3 ALA 27 HB3 ALA 27 -0.712 2.417 7.714 213 H PHE 28 H PHE 28 -1.093 0.869 3.503 214 HA PHE 28 HA PHE 28 1.519 1.443 2.325 215 HB2 PHE 28 HB2 PHE 28 -0.544 -0.501 1.829 216 HB3 PHE 28 HB3 PHE 28 -0.250 0.422 0.365 217 HD1 PHE 28 HD1 PHE 28 0.444 -2.540 1.569 218 HD2 PHE 28 HD2 PHE 28 2.588 0.948 0.430 219 HE1 PHE 28 HE1 PHE 28 2.435 -3.914 1.138 220 HE2 PHE 28 HE2 PHE 28 4.585 -0.415 0.008 221 HZ PHE 28 HZ PHE 28 4.511 -2.850 0.352 222 H GLY 29 H GLY 29 1.413 3.665 2.375 223 HA2 GLY 29 HA2 GLY 29 0.998 5.757 1.538 224 HA3 GLY 29 HA3 GLY 29 0.669 4.917 0.030 225 H THR 30 H THR 30 -1.051 5.946 -0.720 226 HA THR 30 HA THR 30 -3.501 5.806 0.900 227 HB THR 30 HB THR 30 -4.274 7.887 -0.179 228 HG1 THR 30 HG1 THR 30 -1.859 8.705 -1.153 229 HG21 THR 30 HG21 THR 30 -3.190 8.239 1.917 230 HG22 THR 30 HG22 THR 30 -2.551 9.469 0.821 231 HG23 THR 30 HG23 THR 30 -1.594 8.037 1.198 232 H CYS 31 H CYS 31 -5.490 5.566 -0.478 233 HA CYS 31 HA CYS 31 -4.849 3.904 -2.788 234 HB2 CYS 31 HB2 CYS 31 -7.257 3.301 -2.752 235 HB3 CYS 31 HB3 CYS 31 -6.437 2.964 -1.232 236 H SER 32 H SER 32 -7.467 6.228 -2.236 237 HA SER 32 HA SER 32 -7.011 7.284 -4.940 238 HB2 SER 32 HB2 SER 32 -9.236 6.129 -4.401 239 HB3 SER 32 HB3 SER 32 -9.569 7.491 -3.339 240 HG SER 32 HG SER 32 -8.778 8.432 -5.709 241 H TRP 33 H TRP 33 -8.540 8.341 -1.918 242 HA TRP 33 HA TRP 33 -7.402 10.997 -2.225 243 HB2 TRP 33 HB2 TRP 33 -9.052 10.107 0.128 244 HB3 TRP 33 HB3 TRP 33 -8.914 11.711 -0.575 245 HD1 TRP 33 HD1 TRP 33 -11.561 9.650 -0.029 246 HE1 TRP 33 HE1 TRP 33 -13.286 9.524 -1.931 247 HE3 TRP 33 HE3 TRP 33 -8.685 11.447 -3.861 248 HZ2 TRP 33 HZ2 TRP 33 -13.409 10.095 -4.682 249 HZ3 TRP 33 HZ3 TRP 33 -9.695 11.621 -6.100 250 HH2 TRP 33 HH2 TRP 33 -11.998 10.962 -6.499 251 H ARG 34 H ARG 34 -6.315 11.982 -0.341 252 HA ARG 34 HA ARG 34 -4.268 10.198 0.613 253 HB2 ARG 34 HB2 ARG 34 -3.733 12.467 -0.182 254 HB3 ARG 34 HB3 ARG 34 -4.702 13.148 1.115 255 HG2 ARG 34 HG2 ARG 34 -2.426 11.334 1.744 256 HG3 ARG 34 HG3 ARG 34 -2.131 13.019 1.352 257 HD2 ARG 34 HD2 ARG 34 -3.980 12.045 3.520 258 HD3 ARG 34 HD3 ARG 34 -2.320 12.574 3.789 259 HE ARG 34 HE ARG 34 -3.575 14.669 2.514 260 HH11 ARG 34 HH11 ARG 34 -4.059 12.847 5.464 261 HH12 ARG 34 HH12 ARG 34 -4.726 14.186 6.342 262 HH21 ARG 34 HH21 ARG 34 -4.466 16.448 3.671 263 HH22 ARG 34 HH22 ARG 34 -4.955 16.237 5.321 264 H GLN 35 H GLN 35 -7.033 11.833 1.855 265 HA GLN 35 HA GLN 35 -6.626 11.714 4.596 266 HB2 GLN 35 HB2 GLN 35 -9.100 11.767 4.754 267 HB3 GLN 35 HB3 GLN 35 -8.437 12.982 3.669 268 HG2 GLN 35 HG2 GLN 35 -8.942 11.506 1.770 269 HG3 GLN 35 HG3 GLN 35 -9.688 10.364 2.885 270 HE21 GLN 35 HE21 GLN 35 -10.799 12.534 4.532 271 HE22 GLN 35 HE22 GLN 35 -12.141 13.153 3.638 272 H LYS 36 H LYS 36 -6.974 9.096 2.502 273 HA LYS 36 HA LYS 36 -7.548 7.330 4.777 274 HB2 LYS 36 HB2 LYS 36 -8.607 5.773 3.064 275 HB3 LYS 36 HB3 LYS 36 -9.526 7.192 3.525 276 HG2 LYS 36 HG2 LYS 36 -8.372 8.246 1.424 277 HG3 LYS 36 HG3 LYS 36 -8.160 6.556 0.964 278 HD2 LYS 36 HD2 LYS 36 -10.763 7.948 1.575 279 HD3 LYS 36 HD3 LYS 36 -10.199 7.431 -0.013 280 HE2 LYS 36 HE2 LYS 36 -11.554 5.666 0.473 281 HE3 LYS 36 HE3 LYS 36 -10.070 5.088 1.226 282 HZ1 LYS 36 HZ1 LYS 36 -10.877 5.854 3.319 283 HZ2 LYS 36 HZ2 LYS 36 -11.990 4.869 2.664 284 HZ3 LYS 36 HZ3 LYS 36 -12.222 6.476 2.651 285 H THR 37 H THR 37 -6.696 5.172 4.569 286 HA THR 37 HA THR 37 -4.090 5.212 3.183 287 HB THR 37 HB THR 37 -4.774 3.870 5.806 288 HG1 THR 37 HG1 THR 37 -4.553 6.399 5.420 289 HG21 THR 37 HG21 THR 37 -2.092 4.445 4.541 290 HG22 THR 37 HG22 THR 37 -2.892 2.873 4.537 291 HG23 THR 37 HG23 THR 37 -2.381 3.598 6.061 292 H CYS 38 H CYS 38 -3.393 3.307 2.177 293 HA CYS 38 HA CYS 38 -5.505 1.332 1.702 294 HB2 CYS 38 HB2 CYS 38 -4.143 2.551 -0.134 295 HB3 CYS 38 HB3 CYS 38 -2.828 1.479 0.317 296 H CYS 39 H CYS 39 -5.475 -0.387 3.073 297 HA CYS 39 HA CYS 39 -2.870 -1.174 4.205 298 HB2 CYS 39 HB2 CYS 39 -5.627 -1.372 5.419 299 HB3 CYS 39 HB3 CYS 39 -4.149 -1.962 6.168 300 H VAL 40 H VAL 40 -2.156 -2.994 3.344 301 HA VAL 40 HA VAL 40 -4.104 -5.111 2.701 302 HB VAL 40 HB VAL 40 -2.628 -4.195 0.847 303 HG11 VAL 40 HG11 VAL 40 -0.574 -4.027 2.178 304 HG12 VAL 40 HG12 VAL 40 -0.352 -4.946 0.692 305 HG13 VAL 40 HG13 VAL 40 -0.485 -5.788 2.236 306 HG21 VAL 40 HG21 VAL 40 -3.803 -6.251 0.539 307 HG22 VAL 40 HG22 VAL 40 -2.608 -7.137 1.487 308 HG23 VAL 40 HG23 VAL 40 -2.165 -6.459 -0.083 309 H ASP 41 H ASP 41 -3.632 -7.261 3.301 310 HA ASP 41 HA ASP 41 -2.248 -7.623 5.750 311 HB2 ASP 41 HB2 ASP 41 -4.116 -9.061 5.068 312 HB3 ASP 41 HB3 ASP 41 -3.158 -9.691 3.740 313 H THR 42 H THR 42 -0.195 -7.144 5.732 314 HA THR 42 HA THR 42 1.472 -7.827 3.462 315 HB THR 42 HB THR 42 3.186 -6.477 4.805 316 HG1 THR 42 HG1 THR 42 1.855 -6.761 6.796 317 HG21 THR 42 HG21 THR 42 0.627 -5.049 4.064 318 HG22 THR 42 HG22 THR 42 1.846 -5.574 2.905 319 HG23 THR 42 HG23 THR 42 2.248 -4.359 4.116 320 H THR 43 H THR 43 1.585 -10.135 3.793 321 HA THR 43 HA THR 43 3.216 -10.901 6.080 322 HB THR 43 HB THR 43 1.289 -12.437 4.349 323 HG1 THR 43 HG1 THR 43 0.172 -11.508 5.979 324 HG21 THR 43 HG21 THR 43 3.116 -13.509 6.475 325 HG22 THR 43 HG22 THR 43 3.267 -13.777 4.741 326 HG23 THR 43 HG23 THR 43 1.873 -14.416 5.612 327 H SER 44 H SER 44 2.728 -12.299 2.823 328 HA SER 44 HA SER 44 5.623 -12.671 2.597 329 HB2 SER 44 HB2 SER 44 3.426 -13.831 0.911 330 HB3 SER 44 HB3 SER 44 5.118 -14.319 0.906 331 HG SER 44 HG SER 44 4.651 -14.685 3.297 332 H ASP 45 H ASP 45 2.918 -11.592 0.534 333 HA ASP 45 HA ASP 45 4.728 -10.759 -1.541 334 HB2 ASP 45 HB2 ASP 45 2.809 -10.372 -2.895 335 HB3 ASP 45 HB3 ASP 45 2.522 -11.859 -2.006 336 H PHE 46 H PHE 46 3.739 -9.375 1.203 337 HA PHE 46 HA PHE 46 2.889 -6.850 0.898 338 HB2 PHE 46 HB2 PHE 46 3.908 -6.322 2.977 339 HB3 PHE 46 HB3 PHE 46 3.376 -7.994 2.986 340 HD1 PHE 46 HD1 PHE 46 5.068 -9.730 2.299 341 HD2 PHE 46 HD2 PHE 46 6.075 -5.885 3.690 342 HE1 PHE 46 HE1 PHE 46 7.281 -10.577 2.928 343 HE2 PHE 46 HE2 PHE 46 8.319 -6.677 4.331 344 HZ PHE 46 HZ PHE 46 8.932 -9.036 3.949 345 H HIS 47 H HIS 47 5.906 -7.932 -0.212 346 HA HIS 47 HA HIS 47 7.467 -5.624 -0.275 347 HB2 HIS 47 HB2 HIS 47 7.295 -7.873 -2.273 348 HB3 HIS 47 HB3 HIS 47 8.541 -6.632 -2.305 349 HD1 HIS 47 HD1 HIS 47 10.366 -6.737 -0.473 350 HD2 HIS 47 HD2 HIS 47 7.591 -9.826 -0.299 351 HE1 HIS 47 HE1 HIS 47 11.316 -8.409 1.141 352 HE2 HIS 47 HE2 HIS 47 9.693 -10.335 1.120 353 H THR 48 H THR 48 4.485 -5.912 -1.558 354 HA THR 48 HA THR 48 4.294 -4.910 -4.063 355 HB THR 48 HB THR 48 2.574 -4.157 -1.723 356 HG1 THR 48 HG1 THR 48 1.799 -6.140 -1.790 357 HG21 THR 48 HG21 THR 48 1.995 -2.877 -3.671 358 HG22 THR 48 HG22 THR 48 0.763 -4.122 -3.414 359 HG23 THR 48 HG23 THR 48 1.986 -4.335 -4.669 360 H CYS 49 H CYS 49 5.810 -3.169 -1.594 361 HA CYS 49 HA CYS 49 4.950 -0.573 -1.815 362 HB2 CYS 49 HB2 CYS 49 7.106 0.124 -1.046 363 HB3 CYS 49 HB3 CYS 49 6.772 -1.431 -0.299 364 H GLN 50 H GLN 50 7.081 -2.313 -3.991 365 HA GLN 50 HA GLN 50 7.939 -0.222 -5.599 366 HB2 GLN 50 HB2 GLN 50 8.365 -1.996 -7.269 367 HB3 GLN 50 HB3 GLN 50 8.947 -2.406 -5.663 368 HG2 GLN 50 HG2 GLN 50 6.545 -3.523 -5.505 369 HG3 GLN 50 HG3 GLN 50 6.760 -3.595 -7.249 370 HE21 GLN 50 HE21 GLN 50 7.795 -4.766 -4.177 371 HE22 GLN 50 HE22 GLN 50 8.827 -6.022 -4.795 372 H ASP 51 H ASP 51 4.914 -2.034 -5.687 373 HA ASP 51 HA ASP 51 4.067 -0.865 -8.190 374 HB2 ASP 51 HB2 ASP 51 3.335 -3.134 -7.417 375 HB3 ASP 51 HB3 ASP 51 2.393 -2.348 -6.154 376 H LYS 52 H LYS 52 3.703 -0.244 -4.796 377 HA LYS 52 HA LYS 52 1.592 1.640 -4.954 378 HB2 LYS 52 HB2 LYS 52 3.526 0.708 -2.938 379 HB3 LYS 52 HB3 LYS 52 2.892 2.326 -2.695 380 HG2 LYS 52 HG2 LYS 52 1.262 -0.173 -3.024 381 HG3 LYS 52 HG3 LYS 52 1.612 0.641 -1.507 382 HD2 LYS 52 HD2 LYS 52 0.031 1.758 -3.825 383 HD3 LYS 52 HD3 LYS 52 -0.607 1.272 -2.258 384 HE2 LYS 52 HE2 LYS 52 0.445 3.081 -1.157 385 HE3 LYS 52 HE3 LYS 52 1.469 3.432 -2.543 386 HZ1 LYS 52 HZ1 LYS 52 -0.266 5.001 -2.465 387 HZ2 LYS 52 HZ2 LYS 52 -1.421 3.867 -2.363 388 HZ3 LYS 52 HZ3 LYS 52 -0.568 4.034 -3.737 389 H GLY 53 H GLY 53 4.759 1.776 -5.960 390 HA2 GLY 53 HA2 GLY 53 5.576 3.742 -7.078 391 HA3 GLY 53 HA3 GLY 53 4.763 4.718 -5.858 392 H GLY 54 H GLY 54 6.739 1.839 -5.425 393 HA2 GLY 54 HA2 GLY 54 8.336 3.216 -3.445 394 HA3 GLY 54 HA3 GLY 54 8.428 1.514 -3.860 395 H HIS 55 H HIS 55 9.902 4.435 -4.072 396 HA HIS 55 HA HIS 55 11.255 3.922 -6.611 397 HB2 HIS 55 HB2 HIS 55 11.357 6.292 -4.737 398 HB3 HIS 55 HB3 HIS 55 12.274 6.172 -6.231 399 HD1 HIS 55 HD1 HIS 55 11.185 7.185 -8.213 400 HD2 HIS 55 HD2 HIS 55 8.419 6.158 -5.280 401 HE1 HIS 55 HE1 HIS 55 8.974 8.073 -9.022 402 HE2 HIS 55 HE2 HIS 55 7.320 7.461 -7.222 403 H CYS 56 H CYS 56 13.544 3.861 -6.744 404 HA CYS 56 HA CYS 56 14.720 2.705 -4.329 405 HB2 CYS 56 HB2 CYS 56 15.421 2.405 -7.248 406 HB3 CYS 56 HB3 CYS 56 16.407 1.755 -5.940 407 H VAL 57 H VAL 57 16.067 3.904 -3.219 408 HA VAL 57 HA VAL 57 17.586 5.976 -4.655 409 HB VAL 57 HB VAL 57 17.383 7.455 -2.740 410 HG11 VAL 57 HG11 VAL 57 15.701 7.594 -4.490 411 HG12 VAL 57 HG12 VAL 57 15.018 8.007 -2.915 412 HG13 VAL 57 HG13 VAL 57 14.700 6.424 -3.629 413 HG21 VAL 57 HG21 VAL 57 15.671 5.296 -1.516 414 HG22 VAL 57 HG22 VAL 57 15.857 6.927 -0.874 415 HG23 VAL 57 HG23 VAL 57 17.248 5.844 -0.941 416 H SER 58 H SER 58 19.661 6.232 -4.136 417 HA SER 58 HA SER 58 20.994 4.092 -2.813 418 HB2 SER 58 HB2 SER 58 23.018 5.241 -3.487 419 HB3 SER 58 HB3 SER 58 21.864 5.368 -4.803 420 HG SER 58 HG SER 58 21.719 7.457 -4.514 421 HA PRO 59 HA PRO 59 21.360 5.639 1.319 422 HB2 PRO 59 HB2 PRO 59 24.078 5.431 1.795 423 HB3 PRO 59 HB3 PRO 59 22.913 4.116 1.952 424 HG2 PRO 59 HG2 PRO 59 24.797 4.723 -0.271 425 HG3 PRO 59 HG3 PRO 59 24.271 3.156 0.363 426 HD2 PRO 59 HD2 PRO 59 23.325 4.191 -1.945 427 HD3 PRO 59 HD3 PRO 59 22.346 3.152 -0.896 428 H LYS 60 H LYS 60 23.061 7.130 -1.242 429 HA LYS 60 HA LYS 60 23.935 9.406 0.331 430 HB2 LYS 60 HB2 LYS 60 24.087 8.800 -2.623 431 HB3 LYS 60 HB3 LYS 60 24.639 10.311 -1.921 432 HG2 LYS 60 HG2 LYS 60 26.556 8.986 -2.195 433 HG3 LYS 60 HG3 LYS 60 26.178 8.930 -0.474 434 HD2 LYS 60 HD2 LYS 60 25.105 6.750 -0.787 435 HD3 LYS 60 HD3 LYS 60 25.496 6.808 -2.507 436 HE2 LYS 60 HE2 LYS 60 27.105 5.432 -1.320 437 HE3 LYS 60 HE3 LYS 60 27.883 6.882 -1.949 438 HZ1 LYS 60 HZ1 LYS 60 28.538 6.415 0.308 439 HZ2 LYS 60 HZ2 LYS 60 27.001 6.512 0.825 440 HZ3 LYS 60 HZ3 LYS 60 27.745 7.832 0.236 441 H ILE 61 H ILE 61 21.122 8.399 -1.243 442 HA ILE 61 HA ILE 61 20.138 11.047 -1.882 443 HB ILE 61 HB ILE 61 18.643 8.425 -1.691 444 HG12 ILE 61 HG12 ILE 61 20.564 8.649 -3.387 445 HG13 ILE 61 HG13 ILE 61 19.011 8.064 -3.966 446 HG21 ILE 61 HG21 ILE 61 16.944 9.546 -3.069 447 HG22 ILE 61 HG22 ILE 61 17.870 11.043 -2.972 448 HG23 ILE 61 HG23 ILE 61 17.171 10.343 -1.512 449 HD11 ILE 61 HD11 ILE 61 20.012 9.630 -5.517 450 HD12 ILE 61 HD12 ILE 61 20.069 10.864 -4.256 451 HD13 ILE 61 HD13 ILE 61 18.516 10.277 -4.848 452 H ARG 62 H ARG 62 18.861 12.279 -0.586 453 HA ARG 62 HA ARG 62 18.248 11.170 2.053 454 HB2 ARG 62 HB2 ARG 62 18.483 13.999 1.063 455 HB3 ARG 62 HB3 ARG 62 17.615 13.640 2.547 456 HG2 ARG 62 HG2 ARG 62 19.794 14.245 3.194 457 HG3 ARG 62 HG3 ARG 62 19.715 12.489 3.353 458 HD2 ARG 62 HD2 ARG 62 20.857 12.232 1.218 459 HD3 ARG 62 HD3 ARG 62 20.896 13.983 1.018 460 HE ARG 62 HE ARG 62 22.139 13.106 3.450 461 HH11 ARG 62 HH11 ARG 62 22.620 13.570 0.018 462 HH12 ARG 62 HH12 ARG 62 24.335 13.789 0.158 463 HH21 ARG 62 HH21 ARG 62 24.407 13.385 3.639 464 HH22 ARG 62 HH22 ARG 62 25.354 13.665 2.213 465 H CYS 63 H CYS 63 16.540 9.941 1.550 466 HA CYS 63 HA CYS 63 14.055 11.354 0.881 467 HB2 CYS 63 HB2 CYS 63 14.880 10.120 -1.110 468 HB3 CYS 63 HB3 CYS 63 14.890 8.640 -0.164 469 H LEU 64 H LEU 64 12.146 10.368 1.800 470 HA LEU 64 HA LEU 64 12.664 8.975 4.263 471 HB2 LEU 64 HB2 LEU 64 10.710 10.639 3.516 472 HB3 LEU 64 HB3 LEU 64 9.936 9.106 3.174 473 HG LEU 64 HG LEU 64 11.121 9.809 5.852 474 HD11 LEU 64 HD11 LEU 64 9.294 11.308 5.328 475 HD12 LEU 64 HD12 LEU 64 8.835 10.168 6.591 476 HD13 LEU 64 HD13 LEU 64 8.261 9.934 4.941 477 HD21 LEU 64 HD21 LEU 64 10.964 7.417 5.397 478 HD22 LEU 64 HD22 LEU 64 9.257 7.603 4.997 479 HD23 LEU 64 HD23 LEU 64 9.816 7.909 6.642 480 H GLU 65 H GLU 65 13.642 7.186 3.555 481 HA GLU 65 HA GLU 65 12.363 5.410 1.679 482 HB2 GLU 65 HB2 GLU 65 14.541 4.011 2.424 483 HB3 GLU 65 HB3 GLU 65 14.537 5.211 1.145 484 HG2 GLU 65 HG2 GLU 65 16.452 5.505 2.574 485 HG3 GLU 65 HG3 GLU 65 15.374 6.888 2.714 486 H GLU 66 H GLU 66 12.524 3.028 2.185 487 HA GLU 66 HA GLU 66 12.035 1.192 3.410 488 HB2 GLU 66 HB2 GLU 66 11.959 3.065 5.762 489 HB3 GLU 66 HB3 GLU 66 11.637 1.337 5.875 490 HG2 GLU 66 HG2 GLU 66 13.849 0.858 5.006 491 HG3 GLU 66 HG3 GLU 66 14.158 2.589 4.853 492 H GLN 67 H GLN 67 10.336 2.053 1.833 493 HA GLN 67 HA GLN 67 7.731 2.483 2.910 494 HB2 GLN 67 HB2 GLN 67 8.364 2.992 0.555 495 HB3 GLN 67 HB3 GLN 67 8.495 1.265 0.252 496 HG2 GLN 67 HG2 GLN 67 6.146 0.963 0.670 497 HG3 GLN 67 HG3 GLN 67 5.977 2.651 1.149 498 HE21 GLN 67 HE21 GLN 67 4.625 1.181 -1.001 499 HE22 GLN 67 HE22 GLN 67 5.006 2.043 -2.454 500 H LEU 68 H LEU 68 9.035 -0.380 1.236 501 HA LEU 68 HA LEU 68 8.691 -2.145 3.368 502 HB2 LEU 68 HB2 LEU 68 6.253 -1.563 2.670 503 HB3 LEU 68 HB3 LEU 68 6.575 -2.638 1.312 504 HG LEU 68 HG LEU 68 6.924 -4.502 2.756 505 HD11 LEU 68 HD11 LEU 68 6.739 -2.515 5.022 506 HD12 LEU 68 HD12 LEU 68 8.130 -3.508 4.580 507 HD13 LEU 68 HD13 LEU 68 6.679 -4.264 5.232 508 HD21 LEU 68 HD21 LEU 68 4.746 -4.533 4.002 509 HD22 LEU 68 HD22 LEU 68 4.638 -4.116 2.293 510 HD23 LEU 68 HD23 LEU 68 4.533 -2.851 3.519 511 H GLY 69 H GLY 69 10.767 -2.603 2.441 512 HA2 GLY 69 HA2 GLY 69 11.302 -4.894 1.395 513 HA3 GLY 69 HA3 GLY 69 10.635 -4.160 -0.051 514 H LEU 70 H LEU 70 13.180 -5.237 0.119 515 HA LEU 70 HA LEU 70 15.006 -2.955 0.177 516 HB2 LEU 70 HB2 LEU 70 15.316 -5.499 1.049 517 HB3 LEU 70 HB3 LEU 70 15.942 -5.668 -0.576 518 HG LEU 70 HG LEU 70 16.985 -3.582 1.337 519 HD11 LEU 70 HD11 LEU 70 18.815 -5.125 1.830 520 HD12 LEU 70 HD12 LEU 70 18.014 -6.382 0.885 521 HD13 LEU 70 HD13 LEU 70 17.265 -5.776 2.363 522 HD21 LEU 70 HD21 LEU 70 18.170 -4.862 -1.124 523 HD22 LEU 70 HD22 LEU 70 18.940 -3.634 -0.119 524 HD23 LEU 70 HD23 LEU 70 17.487 -3.240 -1.035 525 H CYS 71 H CYS 71 16.060 -2.233 -1.657 526 HA CYS 71 HA CYS 71 14.685 -2.767 -4.145 527 HB2 CYS 71 HB2 CYS 71 16.536 -0.669 -3.131 528 HB3 CYS 71 HB3 CYS 71 16.463 -0.930 -4.871 529 HA PRO 72 HA PRO 72 17.404 -5.297 -6.578 530 HB2 PRO 72 HB2 PRO 72 18.123 -2.724 -7.944 531 HB3 PRO 72 HB3 PRO 72 17.805 -4.318 -8.651 532 HG2 PRO 72 HG2 PRO 72 15.923 -2.421 -8.633 533 HG3 PRO 72 HG3 PRO 72 15.515 -4.130 -8.386 534 HD2 PRO 72 HD2 PRO 72 15.493 -1.900 -6.459 535 HD3 PRO 72 HD3 PRO 72 14.644 -3.455 -6.395 536 H LEU 73 H LEU 73 19.022 -2.093 -6.195 537 HA LEU 73 HA LEU 73 21.541 -3.317 -5.643 538 HB2 LEU 73 HB2 LEU 73 20.544 -0.521 -5.171 539 HB3 LEU 73 HB3 LEU 73 22.135 -1.040 -4.673 540 HG LEU 73 HG LEU 73 22.640 -0.047 -6.616 541 HD11 LEU 73 HD11 LEU 73 23.395 -2.342 -6.796 542 HD12 LEU 73 HD12 LEU 73 23.037 -1.641 -8.374 543 HD13 LEU 73 HD13 LEU 73 21.901 -2.768 -7.632 544 HD21 LEU 73 HD21 LEU 73 19.991 -0.926 -7.707 545 HD22 LEU 73 HD22 LEU 73 21.216 -0.078 -8.650 546 HD23 LEU 73 HD23 LEU 73 20.487 0.705 -7.247 547 H LYS 74 H LYS 74 22.447 -3.851 -3.777 548 HA LYS 74 HA LYS 74 20.638 -4.560 -1.682 549 HB2 LYS 74 HB2 LYS 74 22.580 -5.951 -2.418 550 HB3 LYS 74 HB3 LYS 74 23.653 -4.757 -1.707 551 HG2 LYS 74 HG2 LYS 74 23.387 -6.651 -0.228 552 HG3 LYS 74 HG3 LYS 74 22.694 -5.201 0.498 553 HD2 LYS 74 HD2 LYS 74 21.252 -7.150 0.841 554 HD3 LYS 74 HD3 LYS 74 20.458 -5.929 -0.153 555 HE2 LYS 74 HE2 LYS 74 20.085 -8.191 -1.016 556 HE3 LYS 74 HE3 LYS 74 20.979 -7.196 -2.162 557 HZ1 LYS 74 HZ1 LYS 74 22.162 -9.194 -0.368 558 HZ2 LYS 74 HZ2 LYS 74 22.986 -8.284 -1.430 559 HZ3 LYS 74 HZ3 LYS 74 21.922 -9.386 -1.967 560 H ARG 75 H ARG 75 22.667 -1.896 -2.281 561 HA ARG 75 HA ARG 75 22.817 -1.083 0.508 562 HB2 ARG 75 HB2 ARG 75 23.880 0.172 -2.020 563 HB3 ARG 75 HB3 ARG 75 24.147 0.804 -0.400 564 HG2 ARG 75 HG2 ARG 75 25.429 -1.085 0.223 565 HG3 ARG 75 HG3 ARG 75 24.955 -1.968 -1.230 566 HD2 ARG 75 HD2 ARG 75 26.559 0.576 -1.212 567 HD3 ARG 75 HD3 ARG 75 27.252 -1.040 -1.324 568 HE ARG 75 HE ARG 75 25.350 -0.788 -3.353 569 HH11 ARG 75 HH11 ARG 75 28.432 0.604 -2.457 570 HH12 ARG 75 HH12 ARG 75 28.915 0.920 -4.092 571 HH21 ARG 75 HH21 ARG 75 25.990 -0.386 -5.518 572 HH22 ARG 75 HH22 ARG 75 27.526 0.357 -5.831 573 H TRP 76 H TRP 76 20.542 -0.903 -1.858 574 HA TRP 76 HA TRP 76 19.730 1.853 -1.219 575 HB2 TRP 76 HB2 TRP 76 18.905 0.056 -3.502 576 HB3 TRP 76 HB3 TRP 76 18.280 1.676 -3.223 577 HD1 TRP 76 HD1 TRP 76 22.011 0.715 -2.991 578 HE1 TRP 76 HE1 TRP 76 23.281 2.004 -4.802 579 HE3 TRP 76 HE3 TRP 76 18.060 2.979 -5.275 580 HZ2 TRP 76 HZ2 TRP 76 22.680 3.733 -6.929 581 HZ3 TRP 76 HZ3 TRP 76 18.484 4.472 -7.166 582 HH2 TRP 76 HH2 TRP 76 20.757 4.854 -7.970 583 H THR 77 H THR 77 17.514 2.305 -0.840 584 HA THR 77 HA THR 77 16.028 0.011 0.258 585 HB THR 77 HB THR 77 15.985 2.844 1.308 586 HG1 THR 77 HG1 THR 77 17.089 1.607 3.140 587 HG21 THR 77 HG21 THR 77 13.934 1.625 1.753 588 HG22 THR 77 HG22 THR 77 14.862 1.801 3.241 589 HG23 THR 77 HG23 THR 77 14.856 0.260 2.386 590 H CYS 78 H CYS 78 13.839 -0.096 -0.142 591 HA CYS 78 HA CYS 78 12.778 1.391 -2.336 592 HB2 CYS 78 HB2 CYS 78 12.099 -0.929 -1.898 593 HB3 CYS 78 HB3 CYS 78 11.421 -0.451 -0.348 594 H CYS 79 H CYS 79 12.076 3.409 -2.199 595 HA CYS 79 HA CYS 79 11.314 4.445 0.440 596 HB2 CYS 79 HB2 CYS 79 13.147 5.654 -0.319 597 HB3 CYS 79 HB3 CYS 79 12.575 5.697 -1.983 598 H LYS 80 H LYS 80 9.437 5.466 0.791 599 HA LYS 80 HA LYS 80 7.330 4.973 -1.117 600 HB2 LYS 80 HB2 LYS 80 7.193 4.750 1.446 601 HB3 LYS 80 HB3 LYS 80 7.035 6.502 1.456 602 HG2 LYS 80 HG2 LYS 80 5.093 6.177 -0.147 603 HG3 LYS 80 HG3 LYS 80 5.181 4.467 0.274 604 HD2 LYS 80 HD2 LYS 80 4.727 6.746 2.201 605 HD3 LYS 80 HD3 LYS 80 3.496 5.636 1.606 606 HE2 LYS 80 HE2 LYS 80 4.019 4.766 3.690 607 HE3 LYS 80 HE3 LYS 80 5.000 3.791 2.602 608 HZ1 LYS 80 HZ1 LYS 80 5.974 6.091 4.140 609 HZ2 LYS 80 HZ2 LYS 80 6.879 5.160 3.171 610 HZ3 LYS 80 HZ3 LYS 80 6.237 4.534 4.524 611 H GLU 81 H GLU 81 7.645 6.319 -2.831 612 HA GLU 81 HA GLU 81 7.403 8.178 -4.102 613 HB2 GLU 81 HB2 GLU 81 5.708 9.093 -1.777 614 HB3 GLU 81 HB3 GLU 81 5.679 9.769 -3.401 615 HG2 GLU 81 HG2 GLU 81 4.886 7.671 -4.297 616 HG3 GLU 81 HG3 GLU 81 5.006 6.924 -2.707 617 H ILE 82 H ILE 82 9.431 8.974 -4.188 618 HA ILE 82 HA ILE 82 10.842 10.347 -2.219 619 HB ILE 82 HB ILE 82 11.075 10.758 -5.207 620 HG12 ILE 82 HG12 ILE 82 12.548 8.827 -3.399 621 HG13 ILE 82 HG13 ILE 82 11.282 8.384 -4.540 622 HG21 ILE 82 HG21 ILE 82 12.190 12.493 -3.908 623 HG22 ILE 82 HG22 ILE 82 13.368 11.451 -4.706 624 HG23 ILE 82 HG23 ILE 82 13.050 11.262 -2.982 625 HD11 ILE 82 HD11 ILE 82 13.515 7.900 -5.402 626 HD12 ILE 82 HD12 ILE 82 13.935 9.609 -5.265 627 HD13 ILE 82 HD13 ILE 82 12.679 9.098 -6.392 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 -18.200 3.210 -4.584 2 H2 LEU 1 H2 LEU 1 -18.887 4.406 -3.729 3 H3 LEU 1 H3 LEU 1 -18.768 2.919 -3.086 4 HA LEU 1 HA LEU 1 -17.147 4.397 -2.133 5 HB2 LEU 1 HB2 LEU 1 -16.182 2.125 -3.846 6 HB3 LEU 1 HB3 LEU 1 -15.109 2.992 -2.775 7 HG LEU 1 HG LEU 1 -17.573 1.525 -1.900 8 HD11 LEU 1 HD11 LEU 1 -16.043 -0.180 -1.047 9 HD12 LEU 1 HD12 LEU 1 -14.687 0.685 -1.770 10 HD13 LEU 1 HD13 LEU 1 -15.930 -0.025 -2.800 11 HD21 LEU 1 HD21 LEU 1 -15.297 2.747 -0.353 12 HD22 LEU 1 HD22 LEU 1 -16.574 1.749 0.342 13 HD23 LEU 1 HD23 LEU 1 -16.969 3.307 -0.381 14 HA PRO 2 HA PRO 2 -14.914 7.373 -4.573 15 HB2 PRO 2 HB2 PRO 2 -12.406 6.265 -3.413 16 HB3 PRO 2 HB3 PRO 2 -12.992 7.932 -3.445 17 HG2 PRO 2 HG2 PRO 2 -13.118 6.543 -1.200 18 HG3 PRO 2 HG3 PRO 2 -14.491 7.572 -1.683 19 HD2 PRO 2 HD2 PRO 2 -14.165 4.597 -1.926 20 HD3 PRO 2 HD3 PRO 2 -15.586 5.521 -1.405 21 H ARG 3 H ARG 3 -13.126 7.599 -6.147 22 HA ARG 3 HA ARG 3 -13.522 6.040 -8.324 23 HB2 ARG 3 HB2 ARG 3 -12.452 8.194 -8.445 24 HB3 ARG 3 HB3 ARG 3 -11.057 7.598 -7.562 25 HG2 ARG 3 HG2 ARG 3 -10.564 6.075 -9.442 26 HG3 ARG 3 HG3 ARG 3 -11.907 6.795 -10.333 27 HD2 ARG 3 HD2 ARG 3 -10.835 8.961 -10.262 28 HD3 ARG 3 HD3 ARG 3 -9.531 8.313 -9.270 29 HE ARG 3 HE ARG 3 -9.755 6.881 -11.706 30 HH11 ARG 3 HH11 ARG 3 -8.635 9.921 -10.393 31 HH12 ARG 3 HH12 ARG 3 -7.419 10.149 -11.609 32 HH21 ARG 3 HH21 ARG 3 -8.158 7.164 -13.305 33 HH22 ARG 3 HH22 ARG 3 -7.147 8.573 -13.267 34 H ASP 4 H ASP 4 -10.824 5.611 -6.037 35 HA ASP 4 HA ASP 4 -10.062 3.200 -7.558 36 HB2 ASP 4 HB2 ASP 4 -8.313 5.092 -5.997 37 HB3 ASP 4 HB3 ASP 4 -7.760 3.591 -6.725 38 H THR 5 H THR 5 -11.744 3.728 -4.917 39 HA THR 5 HA THR 5 -10.172 2.407 -2.927 40 HB THR 5 HB THR 5 -13.146 2.924 -2.976 41 HG1 THR 5 HG1 THR 5 -12.081 4.411 -1.186 42 HG21 THR 5 HG21 THR 5 -12.604 1.067 -1.494 43 HG22 THR 5 HG22 THR 5 -13.028 2.496 -0.550 44 HG23 THR 5 HG23 THR 5 -11.336 2.027 -0.731 45 H SER 6 H SER 6 -13.087 1.377 -4.723 46 HA SER 6 HA SER 6 -13.113 -1.265 -3.803 47 HB2 SER 6 HB2 SER 6 -14.969 -0.106 -4.990 48 HB3 SER 6 HB3 SER 6 -14.059 -0.252 -6.489 49 HG SER 6 HG SER 6 -14.062 -2.618 -5.920 50 H ARG 7 H ARG 7 -11.435 0.310 -6.391 51 HA ARG 7 HA ARG 7 -10.236 -1.886 -7.654 52 HB2 ARG 7 HB2 ARG 7 -10.145 0.211 -8.741 53 HB3 ARG 7 HB3 ARG 7 -9.514 1.015 -7.314 54 HG2 ARG 7 HG2 ARG 7 -7.504 -0.683 -7.764 55 HG3 ARG 7 HG3 ARG 7 -8.109 -0.507 -9.414 56 HD2 ARG 7 HD2 ARG 7 -7.948 1.932 -9.200 57 HD3 ARG 7 HD3 ARG 7 -7.333 1.739 -7.554 58 HE ARG 7 HE ARG 7 -5.588 0.300 -9.003 59 HH11 ARG 7 HH11 ARG 7 -6.824 3.557 -9.449 60 HH12 ARG 7 HH12 ARG 7 -5.339 4.149 -10.130 61 HH21 ARG 7 HH21 ARG 7 -3.640 1.095 -9.894 62 HH22 ARG 7 HH22 ARG 7 -3.534 2.757 -10.377 63 H CYS 8 H CYS 8 -9.001 0.247 -5.078 64 HA CYS 8 HA CYS 8 -6.467 -0.986 -5.005 65 HB2 CYS 8 HB2 CYS 8 -7.304 1.374 -4.119 66 HB3 CYS 8 HB3 CYS 8 -7.502 0.457 -2.626 67 H VAL 9 H VAL 9 -9.409 -1.516 -3.118 68 HA VAL 9 HA VAL 9 -8.380 -2.841 -0.922 69 HB VAL 9 HB VAL 9 -10.962 -3.528 -2.335 70 HG11 VAL 9 HG11 VAL 9 -11.707 -4.328 -0.143 71 HG12 VAL 9 HG12 VAL 9 -10.111 -3.986 0.523 72 HG13 VAL 9 HG13 VAL 9 -10.301 -5.227 -0.714 73 HG21 VAL 9 HG21 VAL 9 -12.001 -1.967 -0.747 74 HG22 VAL 9 HG22 VAL 9 -10.849 -1.164 -1.814 75 HG23 VAL 9 HG23 VAL 9 -10.401 -1.530 -0.149 76 H GLY 10 H GLY 10 -9.145 -4.174 -4.105 77 HA2 GLY 10 HA2 GLY 10 -8.452 -6.854 -3.301 78 HA3 GLY 10 HA3 GLY 10 -8.826 -6.318 -4.931 79 H TYR 11 H TYR 11 -6.698 -4.130 -4.457 80 HA TYR 11 HA TYR 11 -4.568 -5.791 -5.560 81 HB2 TYR 11 HB2 TYR 11 -5.112 -2.835 -5.646 82 HB3 TYR 11 HB3 TYR 11 -3.581 -3.526 -6.168 83 HD1 TYR 11 HD1 TYR 11 -6.413 -2.238 -7.439 84 HD2 TYR 11 HD2 TYR 11 -4.171 -5.836 -7.660 85 HE1 TYR 11 HE1 TYR 11 -7.395 -2.700 -9.643 86 HE2 TYR 11 HE2 TYR 11 -5.141 -6.320 -9.858 87 HH TYR 11 HH TYR 11 -6.971 -3.976 -11.613 88 H HIS 12 H HIS 12 -4.752 -2.980 -3.343 89 HA HIS 12 HA HIS 12 -2.235 -3.963 -2.155 90 HB2 HIS 12 HB2 HIS 12 -2.899 -1.038 -2.180 91 HB3 HIS 12 HB3 HIS 12 -1.326 -1.820 -2.090 92 HD1 HIS 12 HD1 HIS 12 -3.311 0.068 -4.326 93 HD2 HIS 12 HD2 HIS 12 -0.783 -3.205 -4.754 94 HE1 HIS 12 HE1 HIS 12 -2.715 -0.013 -6.766 95 HE2 HIS 12 HE2 HIS 12 -1.005 -1.848 -6.948 96 H GLY 13 H GLY 13 -5.208 -4.128 -1.427 97 HA2 GLY 13 HA2 GLY 13 -5.806 -4.770 0.791 98 HA3 GLY 13 HA3 GLY 13 -4.679 -3.570 1.404 99 H TYR 14 H TYR 14 -6.858 -3.379 2.673 100 HA TYR 14 HA TYR 14 -8.999 -2.057 1.290 101 HB2 TYR 14 HB2 TYR 14 -10.029 -1.915 3.571 102 HB3 TYR 14 HB3 TYR 14 -9.615 -3.546 3.062 103 HD1 TYR 14 HD1 TYR 14 -8.451 -0.719 5.156 104 HD2 TYR 14 HD2 TYR 14 -8.215 -4.888 4.378 105 HE1 TYR 14 HE1 TYR 14 -7.174 -1.020 7.235 106 HE2 TYR 14 HE2 TYR 14 -6.938 -5.209 6.452 107 HH TYR 14 HH TYR 14 -5.534 -3.926 7.962 108 H CYS 15 H CYS 15 -9.957 -0.044 2.547 109 HA CYS 15 HA CYS 15 -7.749 1.900 2.469 110 HB2 CYS 15 HB2 CYS 15 -10.561 2.302 1.446 111 HB3 CYS 15 HB3 CYS 15 -9.194 3.394 1.248 112 H ILE 16 H ILE 16 -7.566 2.109 4.694 113 HA ILE 16 HA ILE 16 -9.891 3.121 6.149 114 HB ILE 16 HB ILE 16 -8.487 3.056 8.161 115 HG12 ILE 16 HG12 ILE 16 -6.380 1.967 6.292 116 HG13 ILE 16 HG13 ILE 16 -6.299 3.463 7.205 117 HG21 ILE 16 HG21 ILE 16 -8.296 0.601 8.301 118 HG22 ILE 16 HG22 ILE 16 -8.585 0.517 6.563 119 HG23 ILE 16 HG23 ILE 16 -9.833 1.149 7.633 120 HD11 ILE 16 HD11 ILE 16 -6.374 0.700 8.394 121 HD12 ILE 16 HD12 ILE 16 -6.240 2.216 9.286 122 HD13 ILE 16 HD13 ILE 16 -4.939 1.708 8.209 123 H ARG 17 H ARG 17 -8.940 4.971 7.855 124 HA ARG 17 HA ARG 17 -8.511 7.140 5.979 125 HB2 ARG 17 HB2 ARG 17 -10.233 7.322 7.728 126 HB3 ARG 17 HB3 ARG 17 -8.983 7.228 8.961 127 HG2 ARG 17 HG2 ARG 17 -7.988 9.301 8.047 128 HG3 ARG 17 HG3 ARG 17 -9.340 9.408 6.916 129 HD2 ARG 17 HD2 ARG 17 -9.508 9.457 9.926 130 HD3 ARG 17 HD3 ARG 17 -9.724 10.830 8.844 131 HE ARG 17 HE ARG 17 -11.525 8.580 8.460 132 HH11 ARG 17 HH11 ARG 17 -11.008 11.749 9.866 133 HH12 ARG 17 HH12 ARG 17 -12.704 12.076 10.059 134 HH21 ARG 17 HH21 ARG 17 -13.746 9.004 8.713 135 HH22 ARG 17 HH22 ARG 17 -14.261 10.512 9.400 136 H SER 18 H SER 18 -6.717 5.489 8.493 137 HA SER 18 HA SER 18 -4.571 7.477 8.191 138 HB2 SER 18 HB2 SER 18 -5.569 6.198 10.738 139 HB3 SER 18 HB3 SER 18 -4.154 7.242 10.626 140 HG SER 18 HG SER 18 -6.073 8.577 9.478 141 H LYS 19 H LYS 19 -2.519 6.547 9.384 142 HA LYS 19 HA LYS 19 -1.854 4.146 7.901 143 HB2 LYS 19 HB2 LYS 19 -0.034 5.670 9.750 144 HB3 LYS 19 HB3 LYS 19 0.403 4.690 8.358 145 HG2 LYS 19 HG2 LYS 19 -1.128 7.272 8.203 146 HG3 LYS 19 HG3 LYS 19 0.612 7.123 7.993 147 HD2 LYS 19 HD2 LYS 19 0.348 5.812 6.026 148 HD3 LYS 19 HD3 LYS 19 -1.379 5.605 6.326 149 HE2 LYS 19 HE2 LYS 19 -1.001 7.240 4.567 150 HE3 LYS 19 HE3 LYS 19 -1.728 7.997 5.983 151 HZ1 LYS 19 HZ1 LYS 19 0.468 8.776 6.586 152 HZ2 LYS 19 HZ2 LYS 19 0.043 9.329 5.121 153 HZ3 LYS 19 HZ3 LYS 19 1.110 8.110 5.247 154 H VAL 20 H VAL 20 -3.601 4.171 10.277 155 HA VAL 20 HA VAL 20 -2.216 2.892 12.443 156 HB VAL 20 HB VAL 20 -5.204 2.883 12.069 157 HG11 VAL 20 HG11 VAL 20 -3.480 3.062 14.537 158 HG12 VAL 20 HG12 VAL 20 -4.280 1.606 13.949 159 HG13 VAL 20 HG13 VAL 20 -5.240 2.980 14.499 160 HG21 VAL 20 HG21 VAL 20 -5.335 5.070 13.079 161 HG22 VAL 20 HG22 VAL 20 -4.360 5.150 11.611 162 HG23 VAL 20 HG23 VAL 20 -3.577 5.157 13.191 163 H CYS 21 H CYS 21 -1.941 1.529 9.906 164 HA CYS 21 HA CYS 21 -3.665 -0.657 9.616 165 HB2 CYS 21 HB2 CYS 21 -0.728 -0.556 8.922 166 HB3 CYS 21 HB3 CYS 21 -1.960 -1.578 8.187 167 HA PRO 22 HA PRO 22 -2.298 -3.179 13.085 168 HB2 PRO 22 HB2 PRO 22 -3.900 -5.291 12.560 169 HB3 PRO 22 HB3 PRO 22 -4.520 -3.802 13.283 170 HG2 PRO 22 HG2 PRO 22 -4.654 -4.728 10.443 171 HG3 PRO 22 HG3 PRO 22 -5.901 -3.939 11.424 172 HD2 PRO 22 HD2 PRO 22 -4.368 -2.619 9.593 173 HD3 PRO 22 HD3 PRO 22 -5.057 -1.844 11.029 174 H LYS 23 H LYS 23 -1.715 -5.751 13.078 175 HA LYS 23 HA LYS 23 -0.161 -6.147 10.627 176 HB2 LYS 23 HB2 LYS 23 1.567 -7.072 11.823 177 HB3 LYS 23 HB3 LYS 23 0.931 -5.917 12.985 178 HG2 LYS 23 HG2 LYS 23 0.330 -8.866 12.956 179 HG3 LYS 23 HG3 LYS 23 1.488 -8.059 14.016 180 HD2 LYS 23 HD2 LYS 23 -0.342 -6.691 14.921 181 HD3 LYS 23 HD3 LYS 23 -1.475 -7.577 13.900 182 HE2 LYS 23 HE2 LYS 23 -0.847 -9.662 15.038 183 HE3 LYS 23 HE3 LYS 23 0.258 -8.757 16.070 184 HZ1 LYS 23 HZ1 LYS 23 -2.652 -8.391 15.969 185 HZ2 LYS 23 HZ2 LYS 23 -1.634 -7.560 16.925 186 HZ3 LYS 23 HZ3 LYS 23 -1.836 -9.157 17.153 187 HA PRO 24 HA PRO 24 0.975 -7.472 9.825 188 HB2 PRO 24 HB2 PRO 24 1.224 -9.056 7.682 189 HB3 PRO 24 HB3 PRO 24 1.640 -9.639 9.297 190 HG2 PRO 24 HG2 PRO 24 -0.806 -10.162 7.667 191 HG3 PRO 24 HG3 PRO 24 0.096 -11.264 8.718 192 HD2 PRO 24 HD2 PRO 24 -2.240 -9.908 9.417 193 HD3 PRO 24 HD3 PRO 24 -1.092 -10.629 10.560 194 H PHE 25 H PHE 25 0.150 -5.480 9.132 195 HA PHE 25 HA PHE 25 -0.808 -5.420 6.383 196 HB2 PHE 25 HB2 PHE 25 -2.271 -4.147 8.706 197 HB3 PHE 25 HB3 PHE 25 -2.508 -3.637 7.039 198 HD1 PHE 25 HD1 PHE 25 -3.955 -4.798 5.624 199 HD2 PHE 25 HD2 PHE 25 -2.789 -6.517 9.334 200 HE1 PHE 25 HE1 PHE 25 -5.617 -6.581 5.314 201 HE2 PHE 25 HE2 PHE 25 -4.457 -8.304 9.028 202 HZ PHE 25 HZ PHE 25 -5.862 -8.333 7.010 203 H ALA 26 H ALA 26 -0.050 -3.720 5.252 204 HA ALA 26 HA ALA 26 1.555 -1.766 6.770 205 HB1 ALA 26 HB1 ALA 26 3.205 -1.766 5.066 206 HB2 ALA 26 HB2 ALA 26 2.181 -2.708 3.984 207 HB3 ALA 26 HB3 ALA 26 2.860 -3.462 5.427 208 H ALA 27 H ALA 27 1.206 0.334 6.391 209 HA ALA 27 HA ALA 27 -0.867 1.296 4.771 210 HB1 ALA 27 HB1 ALA 27 1.528 2.713 5.935 211 HB2 ALA 27 HB2 ALA 27 -0.060 2.546 6.680 212 HB3 ALA 27 HB3 ALA 27 0.134 3.516 5.220 213 H PHE 28 H PHE 28 -0.726 0.671 2.672 214 HA PHE 28 HA PHE 28 1.725 1.273 1.200 215 HB2 PHE 28 HB2 PHE 28 -0.361 -0.768 1.002 216 HB3 PHE 28 HB3 PHE 28 0.035 -0.046 -0.547 217 HD1 PHE 28 HD1 PHE 28 0.596 -2.835 1.054 218 HD2 PHE 28 HD2 PHE 28 2.871 0.461 -0.362 219 HE1 PHE 28 HE1 PHE 28 2.578 -4.276 0.910 220 HE2 PHE 28 HE2 PHE 28 4.862 -0.973 -0.505 221 HZ PHE 28 HZ PHE 28 4.717 -3.344 0.128 222 H GLY 29 H GLY 29 1.508 3.461 0.993 223 HA2 GLY 29 HA2 GLY 29 0.860 5.416 0.001 224 HA3 GLY 29 HA3 GLY 29 0.354 4.399 -1.337 225 H THR 30 H THR 30 -1.519 5.326 -1.906 226 HA THR 30 HA THR 30 -3.693 5.208 0.056 227 HB THR 30 HB THR 30 -4.597 7.358 -0.705 228 HG1 THR 30 HG1 THR 30 -2.175 7.646 -2.192 229 HG21 THR 30 HG21 THR 30 -1.759 7.378 0.299 230 HG22 THR 30 HG22 THR 30 -3.247 7.586 1.223 231 HG23 THR 30 HG23 THR 30 -2.698 8.858 0.130 232 H CYS 31 H CYS 31 -5.748 4.729 -0.868 233 HA CYS 31 HA CYS 31 -5.672 3.304 -3.321 234 HB2 CYS 31 HB2 CYS 31 -8.107 4.195 -1.780 235 HB3 CYS 31 HB3 CYS 31 -7.995 2.850 -2.907 236 H SER 32 H SER 32 -7.926 5.896 -2.423 237 HA SER 32 HA SER 32 -7.859 6.794 -5.223 238 HB2 SER 32 HB2 SER 32 -10.016 5.787 -4.350 239 HB3 SER 32 HB3 SER 32 -10.130 7.158 -3.248 240 HG SER 32 HG SER 32 -9.667 8.047 -5.738 241 H TRP 33 H TRP 33 -9.042 8.214 -2.198 242 HA TRP 33 HA TRP 33 -7.581 10.660 -2.782 243 HB2 TRP 33 HB2 TRP 33 -9.208 10.261 -0.289 244 HB3 TRP 33 HB3 TRP 33 -8.944 11.730 -1.216 245 HD1 TRP 33 HD1 TRP 33 -11.752 10.017 -0.275 246 HE1 TRP 33 HE1 TRP 33 -13.595 9.854 -2.058 247 HE3 TRP 33 HE3 TRP 33 -8.967 11.077 -4.443 248 HZ2 TRP 33 HZ2 TRP 33 -13.840 10.124 -4.844 249 HZ3 TRP 33 HZ3 TRP 33 -10.101 11.099 -6.628 250 HH2 TRP 33 HH2 TRP 33 -12.475 10.632 -6.822 251 H ARG 34 H ARG 34 -6.109 11.558 -1.201 252 HA ARG 34 HA ARG 34 -4.314 9.679 -0.113 253 HB2 ARG 34 HB2 ARG 34 -3.719 12.002 -0.789 254 HB3 ARG 34 HB3 ARG 34 -4.612 12.604 0.598 255 HG2 ARG 34 HG2 ARG 34 -2.411 10.646 0.996 256 HG3 ARG 34 HG3 ARG 34 -2.037 12.337 0.708 257 HD2 ARG 34 HD2 ARG 34 -3.748 11.226 2.926 258 HD3 ARG 34 HD3 ARG 34 -2.114 11.859 3.092 259 HE ARG 34 HE ARG 34 -3.773 13.837 1.965 260 HH11 ARG 34 HH11 ARG 34 -3.181 12.179 4.988 261 HH12 ARG 34 HH12 ARG 34 -3.777 13.479 5.968 262 HH21 ARG 34 HH21 ARG 34 -4.572 15.554 3.254 263 HH22 ARG 34 HH22 ARG 34 -4.578 15.394 4.983 264 H GLN 35 H GLN 35 -7.025 11.349 1.093 265 HA GLN 35 HA GLN 35 -6.873 11.135 3.826 266 HB2 GLN 35 HB2 GLN 35 -9.338 10.731 2.143 267 HB3 GLN 35 HB3 GLN 35 -9.290 11.249 3.822 268 HG2 GLN 35 HG2 GLN 35 -8.007 13.236 3.094 269 HG3 GLN 35 HG3 GLN 35 -8.268 12.740 1.431 270 HE21 GLN 35 HE21 GLN 35 -10.303 12.916 0.529 271 HE22 GLN 35 HE22 GLN 35 -11.570 13.835 1.260 272 H LYS 36 H LYS 36 -7.231 8.573 1.578 273 HA LYS 36 HA LYS 36 -7.562 6.754 3.861 274 HB2 LYS 36 HB2 LYS 36 -8.537 5.091 2.169 275 HB3 LYS 36 HB3 LYS 36 -9.561 6.385 2.759 276 HG2 LYS 36 HG2 LYS 36 -8.089 6.959 0.281 277 HG3 LYS 36 HG3 LYS 36 -9.329 5.705 0.178 278 HD2 LYS 36 HD2 LYS 36 -9.813 8.431 1.374 279 HD3 LYS 36 HD3 LYS 36 -10.129 8.041 -0.319 280 HE2 LYS 36 HE2 LYS 36 -11.837 6.557 0.214 281 HE3 LYS 36 HE3 LYS 36 -11.289 6.363 1.870 282 HZ1 LYS 36 HZ1 LYS 36 -12.020 8.609 2.296 283 HZ2 LYS 36 HZ2 LYS 36 -13.257 7.706 1.755 284 HZ3 LYS 36 HZ3 LYS 36 -12.541 8.772 0.766 285 H THR 37 H THR 37 -6.070 5.361 4.206 286 HA THR 37 HA THR 37 -3.816 5.098 2.387 287 HB THR 37 HB THR 37 -4.246 3.878 5.126 288 HG1 THR 37 HG1 THR 37 -3.887 6.429 4.442 289 HG21 THR 37 HG21 THR 37 -1.693 4.410 3.604 290 HG22 THR 37 HG22 THR 37 -2.470 2.834 3.750 291 HG23 THR 37 HG23 THR 37 -1.837 3.642 5.186 292 H CYS 38 H CYS 38 -3.153 3.098 1.477 293 HA CYS 38 HA CYS 38 -5.303 1.116 1.303 294 HB2 CYS 38 HB2 CYS 38 -3.985 2.207 -0.693 295 HB3 CYS 38 HB3 CYS 38 -2.761 1.014 -0.284 296 H CYS 39 H CYS 39 -5.169 -0.299 2.965 297 HA CYS 39 HA CYS 39 -2.487 -1.123 3.855 298 HB2 CYS 39 HB2 CYS 39 -5.123 -1.129 5.328 299 HB3 CYS 39 HB3 CYS 39 -3.605 -1.731 5.986 300 H VAL 40 H VAL 40 -1.973 -2.922 2.773 301 HA VAL 40 HA VAL 40 -3.979 -5.038 2.500 302 HB VAL 40 HB VAL 40 -2.516 -4.271 0.547 303 HG11 VAL 40 HG11 VAL 40 -0.401 -4.245 1.807 304 HG12 VAL 40 HG12 VAL 40 -0.318 -5.203 0.332 305 HG13 VAL 40 HG13 VAL 40 -0.457 -6.005 1.898 306 HG21 VAL 40 HG21 VAL 40 -3.858 -6.204 0.319 307 HG22 VAL 40 HG22 VAL 40 -2.776 -7.160 1.333 308 HG23 VAL 40 HG23 VAL 40 -2.250 -6.633 -0.269 309 H ASP 41 H ASP 41 -3.567 -7.167 3.170 310 HA ASP 41 HA ASP 41 -2.140 -7.468 5.571 311 HB2 ASP 41 HB2 ASP 41 -2.705 -9.920 5.050 312 HB3 ASP 41 HB3 ASP 41 -4.026 -8.818 5.343 313 H THR 42 H THR 42 -0.030 -6.958 5.235 314 HA THR 42 HA THR 42 1.399 -7.884 2.943 315 HB THR 42 HB THR 42 3.358 -6.834 4.338 316 HG1 THR 42 HG1 THR 42 2.685 -6.371 6.294 317 HG21 THR 42 HG21 THR 42 2.739 -4.624 3.565 318 HG22 THR 42 HG22 THR 42 1.053 -5.116 3.409 319 HG23 THR 42 HG23 THR 42 2.280 -5.822 2.357 320 H THR 43 H THR 43 1.076 -10.172 3.273 321 HA THR 43 HA THR 43 3.141 -11.249 5.053 322 HB THR 43 HB THR 43 1.096 -12.224 5.716 323 HG1 THR 43 HG1 THR 43 1.539 -14.476 4.466 324 HG21 THR 43 HG21 THR 43 -0.166 -11.663 3.620 325 HG22 THR 43 HG22 THR 43 -0.516 -13.252 4.297 326 HG23 THR 43 HG23 THR 43 0.535 -13.108 2.891 327 H SER 44 H SER 44 1.631 -12.062 1.902 328 HA SER 44 HA SER 44 4.235 -13.010 0.964 329 HB2 SER 44 HB2 SER 44 2.316 -14.519 0.689 330 HB3 SER 44 HB3 SER 44 1.502 -13.300 -0.282 331 HG SER 44 HG SER 44 2.729 -13.764 -1.943 332 H ASP 45 H ASP 45 1.627 -10.813 -0.033 333 HA ASP 45 HA ASP 45 2.958 -10.145 -2.492 334 HB2 ASP 45 HB2 ASP 45 0.967 -8.930 -3.048 335 HB3 ASP 45 HB3 ASP 45 0.491 -10.454 -2.311 336 H PHE 46 H PHE 46 3.230 -8.998 0.569 337 HA PHE 46 HA PHE 46 3.138 -6.297 0.584 338 HB2 PHE 46 HB2 PHE 46 4.782 -6.318 2.340 339 HB3 PHE 46 HB3 PHE 46 3.616 -7.624 2.536 340 HD1 PHE 46 HD1 PHE 46 7.016 -6.740 2.369 341 HD2 PHE 46 HD2 PHE 46 4.301 -9.875 1.627 342 HE1 PHE 46 HE1 PHE 46 8.878 -8.339 2.458 343 HE2 PHE 46 HE2 PHE 46 6.131 -11.510 1.703 344 HZ PHE 46 HZ PHE 46 8.442 -10.745 2.117 345 H HIS 47 H HIS 47 5.463 -8.149 -1.139 346 HA HIS 47 HA HIS 47 7.491 -6.223 -1.397 347 HB2 HIS 47 HB2 HIS 47 6.733 -8.606 -3.040 348 HB3 HIS 47 HB3 HIS 47 7.974 -7.493 -3.612 349 HD1 HIS 47 HD1 HIS 47 9.835 -6.978 -1.538 350 HD2 HIS 47 HD2 HIS 47 7.829 -10.617 -1.610 351 HE1 HIS 47 HE1 HIS 47 11.185 -8.520 -0.091 352 HE2 HIS 47 HE2 HIS 47 9.905 -10.690 -0.065 353 H THR 48 H THR 48 4.392 -5.947 -2.376 354 HA THR 48 HA THR 48 4.189 -4.791 -4.831 355 HB THR 48 HB THR 48 2.906 -4.114 -2.210 356 HG1 THR 48 HG1 THR 48 2.081 -6.000 -2.780 357 HG21 THR 48 HG21 THR 48 1.147 -2.908 -3.393 358 HG22 THR 48 HG22 THR 48 2.004 -3.128 -4.918 359 HG23 THR 48 HG23 THR 48 2.713 -2.123 -3.647 360 H CYS 49 H CYS 49 6.261 -3.615 -2.461 361 HA CYS 49 HA CYS 49 5.895 -0.994 -2.092 362 HB2 CYS 49 HB2 CYS 49 8.021 -0.920 -1.288 363 HB3 CYS 49 HB3 CYS 49 7.847 -2.657 -1.434 364 H GLN 50 H GLN 50 7.583 -2.180 -5.069 365 HA GLN 50 HA GLN 50 8.173 0.449 -5.925 366 HB2 GLN 50 HB2 GLN 50 8.773 -0.552 -8.078 367 HB3 GLN 50 HB3 GLN 50 9.516 -1.373 -6.728 368 HG2 GLN 50 HG2 GLN 50 7.024 -2.394 -8.045 369 HG3 GLN 50 HG3 GLN 50 8.636 -2.798 -8.629 370 HE21 GLN 50 HE21 GLN 50 6.274 -3.315 -6.198 371 HE22 GLN 50 HE22 GLN 50 7.121 -4.541 -5.306 372 H ASP 51 H ASP 51 5.308 -1.457 -6.230 373 HA ASP 51 HA ASP 51 4.125 -0.166 -8.464 374 HB2 ASP 51 HB2 ASP 51 3.113 -2.190 -7.722 375 HB3 ASP 51 HB3 ASP 51 2.977 -1.607 -6.069 376 H LYS 52 H LYS 52 4.238 0.489 -5.061 377 HA LYS 52 HA LYS 52 2.278 2.626 -5.235 378 HB2 LYS 52 HB2 LYS 52 3.775 1.453 -2.896 379 HB3 LYS 52 HB3 LYS 52 2.481 2.636 -2.782 380 HG2 LYS 52 HG2 LYS 52 1.838 0.226 -4.319 381 HG3 LYS 52 HG3 LYS 52 2.149 -0.026 -2.603 382 HD2 LYS 52 HD2 LYS 52 -0.258 0.407 -3.195 383 HD3 LYS 52 HD3 LYS 52 0.414 1.512 -1.995 384 HE2 LYS 52 HE2 LYS 52 -0.871 2.796 -3.546 385 HE3 LYS 52 HE3 LYS 52 0.830 3.147 -3.829 386 HZ1 LYS 52 HZ1 LYS 52 -1.017 1.640 -5.499 387 HZ2 LYS 52 HZ2 LYS 52 0.571 1.319 -5.606 388 HZ3 LYS 52 HZ3 LYS 52 0.019 2.818 -5.928 389 H GLY 53 H GLY 53 5.168 2.658 -6.222 390 HA2 GLY 53 HA2 GLY 53 6.474 4.547 -6.666 391 HA3 GLY 53 HA3 GLY 53 5.672 5.384 -5.342 392 H GLY 54 H GLY 54 7.021 2.184 -4.993 393 HA2 GLY 54 HA2 GLY 54 8.850 3.111 -2.975 394 HA3 GLY 54 HA3 GLY 54 8.686 1.462 -3.550 395 H HIS 55 H HIS 55 10.518 4.202 -3.557 396 HA HIS 55 HA HIS 55 12.047 3.457 -5.951 397 HB2 HIS 55 HB2 HIS 55 12.031 5.988 -4.289 398 HB3 HIS 55 HB3 HIS 55 13.156 5.695 -5.609 399 HD1 HIS 55 HD1 HIS 55 12.444 6.714 -7.737 400 HD2 HIS 55 HD2 HIS 55 9.182 5.731 -5.344 401 HE1 HIS 55 HE1 HIS 55 10.417 7.517 -8.990 402 HE2 HIS 55 HE2 HIS 55 8.452 6.868 -7.553 403 H CYS 56 H CYS 56 14.522 4.063 -5.545 404 HA CYS 56 HA CYS 56 15.278 2.678 -3.064 405 HB2 CYS 56 HB2 CYS 56 16.467 2.465 -5.830 406 HB3 CYS 56 HB3 CYS 56 17.265 1.849 -4.387 407 H VAL 57 H VAL 57 16.490 3.832 -1.736 408 HA VAL 57 HA VAL 57 18.126 5.980 -2.897 409 HB VAL 57 HB VAL 57 17.662 7.423 -1.013 410 HG11 VAL 57 HG11 VAL 57 16.181 7.547 -2.939 411 HG12 VAL 57 HG12 VAL 57 15.329 7.940 -1.444 412 HG13 VAL 57 HG13 VAL 57 15.109 6.359 -2.195 413 HG21 VAL 57 HG21 VAL 57 15.956 6.850 0.662 414 HG22 VAL 57 HG22 VAL 57 17.364 5.792 0.739 415 HG23 VAL 57 HG23 VAL 57 15.871 5.220 -0.007 416 H SER 58 H SER 58 20.138 6.110 -2.246 417 HA SER 58 HA SER 58 21.386 4.099 -0.721 418 HB2 SER 58 HB2 SER 58 22.680 5.189 -2.382 419 HB3 SER 58 HB3 SER 58 22.257 6.790 -1.787 420 HG SER 58 HG SER 58 24.412 5.524 -1.246 421 HA PRO 59 HA PRO 59 20.865 5.474 3.432 422 HB2 PRO 59 HB2 PRO 59 23.330 4.951 4.495 423 HB3 PRO 59 HB3 PRO 59 22.112 3.713 4.174 424 HG2 PRO 59 HG2 PRO 59 24.480 4.512 2.527 425 HG3 PRO 59 HG3 PRO 59 23.873 2.891 2.901 426 HD2 PRO 59 HD2 PRO 59 23.392 4.069 0.538 427 HD3 PRO 59 HD3 PRO 59 22.189 3.019 1.313 428 H LYS 60 H LYS 60 22.943 7.042 1.308 429 HA LYS 60 HA LYS 60 23.466 9.190 3.240 430 HB2 LYS 60 HB2 LYS 60 25.051 10.082 1.606 431 HB3 LYS 60 HB3 LYS 60 25.428 8.416 2.012 432 HG2 LYS 60 HG2 LYS 60 24.433 7.660 -0.072 433 HG3 LYS 60 HG3 LYS 60 23.997 9.323 -0.476 434 HD2 LYS 60 HD2 LYS 60 26.342 9.952 -0.518 435 HD3 LYS 60 HD3 LYS 60 26.808 8.321 -0.038 436 HE2 LYS 60 HE2 LYS 60 25.873 7.435 -2.107 437 HE3 LYS 60 HE3 LYS 60 25.366 9.055 -2.580 438 HZ1 LYS 60 HZ1 LYS 60 27.439 8.403 -3.612 439 HZ2 LYS 60 HZ2 LYS 60 28.148 8.230 -2.161 440 HZ3 LYS 60 HZ3 LYS 60 27.658 9.701 -2.652 441 H ILE 61 H ILE 61 21.152 8.274 1.172 442 HA ILE 61 HA ILE 61 20.512 10.921 0.118 443 HB ILE 61 HB ILE 61 18.990 8.313 -0.074 444 HG12 ILE 61 HG12 ILE 61 21.259 8.539 -1.241 445 HG13 ILE 61 HG13 ILE 61 19.897 8.007 -2.216 446 HG21 ILE 61 HG21 ILE 61 18.535 10.944 -1.478 447 HG22 ILE 61 HG22 ILE 61 17.506 10.227 -0.239 448 HG23 ILE 61 HG23 ILE 61 17.669 9.445 -1.811 449 HD11 ILE 61 HD11 ILE 61 19.670 10.297 -3.076 450 HD12 ILE 61 HD12 ILE 61 21.235 9.573 -3.439 451 HD13 ILE 61 HD13 ILE 61 21.094 10.764 -2.144 452 H ARG 62 H ARG 62 19.195 12.276 1.157 453 HA ARG 62 HA ARG 62 18.064 11.366 3.664 454 HB2 ARG 62 HB2 ARG 62 18.278 14.127 2.464 455 HB3 ARG 62 HB3 ARG 62 17.547 13.786 4.030 456 HG2 ARG 62 HG2 ARG 62 19.666 12.835 4.796 457 HG3 ARG 62 HG3 ARG 62 20.398 13.241 3.243 458 HD2 ARG 62 HD2 ARG 62 19.235 15.192 5.226 459 HD3 ARG 62 HD3 ARG 62 20.949 14.919 4.918 460 HE ARG 62 HE ARG 62 19.122 15.939 2.837 461 HH11 ARG 62 HH11 ARG 62 22.112 16.163 4.663 462 HH12 ARG 62 HH12 ARG 62 22.741 17.459 3.702 463 HH21 ARG 62 HH21 ARG 62 19.968 17.643 1.573 464 HH22 ARG 62 HH22 ARG 62 21.530 18.294 1.945 465 H CYS 63 H CYS 63 16.470 10.095 3.007 466 HA CYS 63 HA CYS 63 14.038 11.434 2.047 467 HB2 CYS 63 HB2 CYS 63 14.929 10.181 0.154 468 HB3 CYS 63 HB3 CYS 63 15.113 8.748 1.156 469 H LEU 64 H LEU 64 12.124 10.706 3.043 470 HA LEU 64 HA LEU 64 12.426 9.031 5.363 471 HB2 LEU 64 HB2 LEU 64 9.985 10.081 3.927 472 HB3 LEU 64 HB3 LEU 64 9.886 9.056 5.342 473 HG LEU 64 HG LEU 64 9.548 11.264 6.102 474 HD11 LEU 64 HD11 LEU 64 12.432 10.586 6.640 475 HD12 LEU 64 HD12 LEU 64 11.041 9.933 7.502 476 HD13 LEU 64 HD13 LEU 64 11.411 11.654 7.602 477 HD21 LEU 64 HD21 LEU 64 12.019 12.055 4.568 478 HD22 LEU 64 HD22 LEU 64 11.100 13.108 5.643 479 HD23 LEU 64 HD23 LEU 64 10.354 12.484 4.172 480 H GLU 65 H GLU 65 13.330 7.190 4.596 481 HA GLU 65 HA GLU 65 12.150 5.914 2.272 482 HB2 GLU 65 HB2 GLU 65 14.300 4.377 2.805 483 HB3 GLU 65 HB3 GLU 65 14.348 5.813 1.807 484 HG2 GLU 65 HG2 GLU 65 16.203 5.860 3.285 485 HG3 GLU 65 HG3 GLU 65 15.080 7.115 3.780 486 H GLU 66 H GLU 66 10.264 5.045 3.217 487 HA GLU 66 HA GLU 66 10.750 2.349 4.089 488 HB2 GLU 66 HB2 GLU 66 9.535 4.368 5.916 489 HB3 GLU 66 HB3 GLU 66 8.953 2.708 5.966 490 HG2 GLU 66 HG2 GLU 66 11.798 2.707 5.918 491 HG3 GLU 66 HG3 GLU 66 11.230 3.792 7.198 492 H GLN 67 H GLN 67 9.833 2.147 1.932 493 HA GLN 67 HA GLN 67 6.918 2.292 1.869 494 HB2 GLN 67 HB2 GLN 67 8.020 2.775 -0.232 495 HB3 GLN 67 HB3 GLN 67 8.937 1.276 -0.147 496 HG2 GLN 67 HG2 GLN 67 7.268 0.742 -1.632 497 HG3 GLN 67 HG3 GLN 67 6.618 0.139 -0.109 498 HE21 GLN 67 HE21 GLN 67 6.177 2.156 -2.750 499 HE22 GLN 67 HE22 GLN 67 4.740 2.963 -2.233 500 H LEU 68 H LEU 68 9.211 -0.290 1.036 501 HA LEU 68 HA LEU 68 8.456 -2.074 3.080 502 HB2 LEU 68 HB2 LEU 68 6.501 -1.972 1.184 503 HB3 LEU 68 HB3 LEU 68 7.523 -3.239 0.528 504 HG LEU 68 HG LEU 68 5.928 -4.387 1.788 505 HD11 LEU 68 HD11 LEU 68 8.281 -4.018 3.631 506 HD12 LEU 68 HD12 LEU 68 8.172 -5.165 2.298 507 HD13 LEU 68 HD13 LEU 68 7.113 -5.337 3.700 508 HD21 LEU 68 HD21 LEU 68 6.330 -2.389 4.008 509 HD22 LEU 68 HD22 LEU 68 5.257 -3.787 4.060 510 HD23 LEU 68 HD23 LEU 68 4.943 -2.475 2.922 511 H GLY 69 H GLY 69 10.510 -2.846 3.313 512 HA2 GLY 69 HA2 GLY 69 11.785 -4.782 2.833 513 HA3 GLY 69 HA3 GLY 69 11.319 -4.640 1.150 514 H LEU 70 H LEU 70 13.679 -5.195 1.140 515 HA LEU 70 HA LEU 70 15.411 -2.833 1.404 516 HB2 LEU 70 HB2 LEU 70 15.827 -5.044 2.660 517 HB3 LEU 70 HB3 LEU 70 16.288 -5.693 1.103 518 HG LEU 70 HG LEU 70 18.100 -4.836 2.742 519 HD11 LEU 70 HD11 LEU 70 18.589 -5.630 0.520 520 HD12 LEU 70 HD12 LEU 70 19.543 -4.194 0.885 521 HD13 LEU 70 HD13 LEU 70 18.126 -4.070 -0.158 522 HD21 LEU 70 HD21 LEU 70 17.416 -2.236 1.404 523 HD22 LEU 70 HD22 LEU 70 18.706 -2.539 2.566 524 HD23 LEU 70 HD23 LEU 70 17.022 -2.628 3.079 525 H CYS 71 H CYS 71 16.781 -2.288 -0.333 526 HA CYS 71 HA CYS 71 15.583 -2.937 -2.906 527 HB2 CYS 71 HB2 CYS 71 17.266 -0.721 -1.850 528 HB3 CYS 71 HB3 CYS 71 17.304 -1.045 -3.580 529 HA PRO 72 HA PRO 72 18.607 -5.435 -4.977 530 HB2 PRO 72 HB2 PRO 72 19.315 -2.925 -6.459 531 HB3 PRO 72 HB3 PRO 72 19.104 -4.573 -7.079 532 HG2 PRO 72 HG2 PRO 72 17.164 -2.753 -7.319 533 HG3 PRO 72 HG3 PRO 72 16.796 -4.454 -6.984 534 HD2 PRO 72 HD2 PRO 72 16.580 -2.102 -5.214 535 HD3 PRO 72 HD3 PRO 72 15.753 -3.667 -5.117 536 H LEU 73 H LEU 73 19.897 -2.121 -4.404 537 HA LEU 73 HA LEU 73 22.473 -3.218 -3.717 538 HB2 LEU 73 HB2 LEU 73 21.474 -0.390 -3.395 539 HB3 LEU 73 HB3 LEU 73 23.127 -0.931 -3.179 540 HG LEU 73 HG LEU 73 21.685 -1.314 -5.757 541 HD11 LEU 73 HD11 LEU 73 23.401 1.017 -4.959 542 HD12 LEU 73 HD12 LEU 73 21.672 1.067 -5.303 543 HD13 LEU 73 HD13 LEU 73 22.818 0.687 -6.590 544 HD21 LEU 73 HD21 LEU 73 23.696 -2.660 -5.334 545 HD22 LEU 73 HD22 LEU 73 24.609 -1.171 -5.083 546 HD23 LEU 73 HD23 LEU 73 23.917 -1.523 -6.664 547 H LYS 74 H LYS 74 23.299 -3.502 -1.807 548 HA LYS 74 HA LYS 74 21.489 -4.579 0.031 549 HB2 LYS 74 HB2 LYS 74 23.912 -5.242 -0.431 550 HB3 LYS 74 HB3 LYS 74 24.357 -3.957 0.682 551 HG2 LYS 74 HG2 LYS 74 24.343 -5.728 2.107 552 HG3 LYS 74 HG3 LYS 74 22.672 -5.194 2.273 553 HD2 LYS 74 HD2 LYS 74 23.643 -7.418 0.476 554 HD3 LYS 74 HD3 LYS 74 22.834 -7.629 2.025 555 HE2 LYS 74 HE2 LYS 74 20.861 -6.435 1.081 556 HE3 LYS 74 HE3 LYS 74 21.678 -6.422 -0.481 557 HZ1 LYS 74 HZ1 LYS 74 21.690 -8.819 -0.417 558 HZ2 LYS 74 HZ2 LYS 74 20.169 -8.264 -0.307 559 HZ3 LYS 74 HZ3 LYS 74 20.921 -8.826 1.016 560 H ARG 75 H ARG 75 22.957 -1.436 -0.033 561 HA ARG 75 HA ARG 75 22.291 -0.957 2.777 562 HB2 ARG 75 HB2 ARG 75 23.796 0.739 0.793 563 HB3 ARG 75 HB3 ARG 75 23.578 1.106 2.496 564 HG2 ARG 75 HG2 ARG 75 24.903 -0.742 3.158 565 HG3 ARG 75 HG3 ARG 75 24.939 -1.380 1.513 566 HD2 ARG 75 HD2 ARG 75 26.111 1.248 2.382 567 HD3 ARG 75 HD3 ARG 75 27.027 -0.239 2.146 568 HE ARG 75 HE ARG 75 25.548 0.380 -0.193 569 HH11 ARG 75 HH11 ARG 75 28.358 1.425 1.625 570 HH12 ARG 75 HH12 ARG 75 29.198 2.026 0.232 571 HH21 ARG 75 HH21 ARG 75 26.668 1.173 -2.036 572 HH22 ARG 75 HH22 ARG 75 28.245 1.872 -1.846 573 H TRP 76 H TRP 76 20.682 -0.763 -0.055 574 HA TRP 76 HA TRP 76 19.649 1.952 0.315 575 HB2 TRP 76 HB2 TRP 76 19.411 -0.018 -1.952 576 HB3 TRP 76 HB3 TRP 76 18.582 1.535 -1.926 577 HD1 TRP 76 HD1 TRP 76 22.272 0.723 -1.058 578 HE1 TRP 76 HE1 TRP 76 23.775 2.221 -2.494 579 HE3 TRP 76 HE3 TRP 76 18.673 3.086 -3.774 580 HZ2 TRP 76 HZ2 TRP 76 23.468 4.154 -4.524 581 HZ3 TRP 76 HZ3 TRP 76 19.341 4.751 -5.435 582 HH2 TRP 76 HH2 TRP 76 21.693 5.278 -5.808 583 H THR 77 H THR 77 17.710 2.361 1.087 584 HA THR 77 HA THR 77 15.946 0.129 1.752 585 HB THR 77 HB THR 77 15.631 3.042 2.492 586 HG1 THR 77 HG1 THR 77 16.603 2.358 4.504 587 HG21 THR 77 HG21 THR 77 14.496 0.508 3.683 588 HG22 THR 77 HG22 THR 77 13.603 1.722 2.764 589 HG23 THR 77 HG23 THR 77 14.278 2.128 4.343 590 H CYS 78 H CYS 78 13.746 0.074 1.130 591 HA CYS 78 HA CYS 78 13.201 1.347 -1.422 592 HB2 CYS 78 HB2 CYS 78 12.599 -1.054 -0.964 593 HB3 CYS 78 HB3 CYS 78 11.420 -0.487 0.210 594 H CYS 79 H CYS 79 12.417 3.345 -1.449 595 HA CYS 79 HA CYS 79 11.075 4.339 0.970 596 HB2 CYS 79 HB2 CYS 79 13.036 5.541 0.564 597 HB3 CYS 79 HB3 CYS 79 12.715 5.698 -1.157 598 H LYS 80 H LYS 80 9.160 5.361 0.916 599 HA LYS 80 HA LYS 80 7.589 4.999 -1.519 600 HB2 LYS 80 HB2 LYS 80 6.874 4.307 0.877 601 HB3 LYS 80 HB3 LYS 80 6.546 6.013 1.116 602 HG2 LYS 80 HG2 LYS 80 5.327 4.471 -1.147 603 HG3 LYS 80 HG3 LYS 80 4.603 4.500 0.456 604 HD2 LYS 80 HD2 LYS 80 5.176 6.922 -1.246 605 HD3 LYS 80 HD3 LYS 80 3.599 6.145 -1.069 606 HE2 LYS 80 HE2 LYS 80 3.689 6.593 1.353 607 HE3 LYS 80 HE3 LYS 80 5.226 7.424 1.125 608 HZ1 LYS 80 HZ1 LYS 80 4.036 8.950 -0.355 609 HZ2 LYS 80 HZ2 LYS 80 3.497 9.014 1.178 610 HZ3 LYS 80 HZ3 LYS 80 2.627 8.238 0.044 611 H GLU 81 H GLU 81 8.143 6.629 -2.865 612 HA GLU 81 HA GLU 81 8.112 8.676 -3.826 613 HB2 GLU 81 HB2 GLU 81 6.126 9.224 -1.632 614 HB3 GLU 81 HB3 GLU 81 6.479 10.354 -2.931 615 HG2 GLU 81 HG2 GLU 81 5.721 8.734 -4.571 616 HG3 GLU 81 HG3 GLU 81 5.412 7.565 -3.287 617 H ILE 82 H ILE 82 10.087 9.462 -3.640 618 HA ILE 82 HA ILE 82 11.310 10.348 -1.250 619 HB ILE 82 HB ILE 82 12.041 11.074 -4.094 620 HG12 ILE 82 HG12 ILE 82 13.038 8.802 -2.360 621 HG13 ILE 82 HG13 ILE 82 11.911 8.629 -3.701 622 HG21 ILE 82 HG21 ILE 82 13.102 12.518 -2.444 623 HG22 ILE 82 HG22 ILE 82 14.288 11.438 -3.177 624 HG23 ILE 82 HG23 ILE 82 13.675 11.106 -1.557 625 HD11 ILE 82 HD11 ILE 82 13.621 9.401 -5.247 626 HD12 ILE 82 HD12 ILE 82 14.167 7.995 -4.332 627 HD13 ILE 82 HD13 ILE 82 14.747 9.605 -3.906 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 -18.663 3.695 -3.910 2 H2 LEU 1 H2 LEU 1 -18.676 4.922 -2.846 3 H3 LEU 1 H3 LEU 1 -19.142 3.440 -2.375 4 HA LEU 1 HA LEU 1 -16.971 3.873 -1.533 5 HB2 LEU 1 HB2 LEU 1 -17.734 1.587 -2.572 6 HB3 LEU 1 HB3 LEU 1 -16.596 2.005 -3.830 7 HG LEU 1 HG LEU 1 -14.793 2.100 -2.183 8 HD11 LEU 1 HD11 LEU 1 -16.900 1.107 -0.272 9 HD12 LEU 1 HD12 LEU 1 -16.065 2.659 -0.196 10 HD13 LEU 1 HD13 LEU 1 -15.170 1.162 0.059 11 HD21 LEU 1 HD21 LEU 1 -15.191 0.059 -3.442 12 HD22 LEU 1 HD22 LEU 1 -16.343 -0.483 -2.223 13 HD23 LEU 1 HD23 LEU 1 -14.636 -0.315 -1.811 14 HA PRO 2 HA PRO 2 -14.728 6.927 -3.745 15 HB2 PRO 2 HB2 PRO 2 -12.351 5.640 -2.470 16 HB3 PRO 2 HB3 PRO 2 -12.841 7.343 -2.495 17 HG2 PRO 2 HG2 PRO 2 -13.248 5.960 -0.315 18 HG3 PRO 2 HG3 PRO 2 -14.553 6.995 -0.932 19 HD2 PRO 2 HD2 PRO 2 -14.230 4.016 -1.212 20 HD3 PRO 2 HD3 PRO 2 -15.677 4.941 -0.765 21 H ARG 3 H ARG 3 -13.413 7.266 -5.444 22 HA ARG 3 HA ARG 3 -13.609 5.754 -7.605 23 HB2 ARG 3 HB2 ARG 3 -12.761 8.019 -7.632 24 HB3 ARG 3 HB3 ARG 3 -11.251 7.493 -6.909 25 HG2 ARG 3 HG2 ARG 3 -10.870 6.084 -8.943 26 HG3 ARG 3 HG3 ARG 3 -12.277 6.871 -9.664 27 HD2 ARG 3 HD2 ARG 3 -11.215 9.034 -9.451 28 HD3 ARG 3 HD3 ARG 3 -9.843 8.305 -8.624 29 HE ARG 3 HE ARG 3 -10.519 7.607 -11.402 30 HH11 ARG 3 HH11 ARG 3 -8.199 8.602 -8.969 31 HH12 ARG 3 HH12 ARG 3 -6.863 8.629 -10.076 32 HH21 ARG 3 HH21 ARG 3 -8.751 7.618 -12.846 33 HH22 ARG 3 HH22 ARG 3 -7.178 8.069 -12.276 34 H ASP 4 H ASP 4 -10.769 5.472 -5.453 35 HA ASP 4 HA ASP 4 -9.783 3.362 -7.245 36 HB2 ASP 4 HB2 ASP 4 -8.288 5.099 -5.284 37 HB3 ASP 4 HB3 ASP 4 -7.560 3.790 -6.209 38 H THR 5 H THR 5 -11.436 3.529 -4.434 39 HA THR 5 HA THR 5 -9.914 1.906 -2.702 40 HB THR 5 HB THR 5 -12.903 2.323 -2.797 41 HG1 THR 5 HG1 THR 5 -11.777 3.526 -0.737 42 HG21 THR 5 HG21 THR 5 -12.876 1.557 -0.456 43 HG22 THR 5 HG22 THR 5 -11.159 1.180 -0.609 44 HG23 THR 5 HG23 THR 5 -12.345 0.290 -1.563 45 H SER 6 H SER 6 -12.643 1.058 -4.857 46 HA SER 6 HA SER 6 -12.717 -1.660 -4.212 47 HB2 SER 6 HB2 SER 6 -14.510 -0.463 -5.394 48 HB3 SER 6 HB3 SER 6 -13.490 -0.356 -6.824 49 HG SER 6 HG SER 6 -13.765 -2.454 -7.207 50 H ARG 7 H ARG 7 -10.729 0.115 -6.454 51 HA ARG 7 HA ARG 7 -9.608 -2.162 -7.763 52 HB2 ARG 7 HB2 ARG 7 -9.542 -0.079 -8.940 53 HB3 ARG 7 HB3 ARG 7 -8.780 0.738 -7.584 54 HG2 ARG 7 HG2 ARG 7 -7.229 -1.514 -8.577 55 HG3 ARG 7 HG3 ARG 7 -7.496 -0.265 -9.793 56 HD2 ARG 7 HD2 ARG 7 -6.429 0.258 -7.021 57 HD3 ARG 7 HD3 ARG 7 -5.409 -0.011 -8.430 58 HE ARG 7 HE ARG 7 -7.318 2.233 -8.265 59 HH11 ARG 7 HH11 ARG 7 -4.151 0.946 -9.061 60 HH12 ARG 7 HH12 ARG 7 -3.526 2.478 -9.579 61 HH21 ARG 7 HH21 ARG 7 -6.479 4.257 -8.928 62 HH22 ARG 7 HH22 ARG 7 -4.836 4.349 -9.499 63 H CYS 8 H CYS 8 -8.600 -0.040 -5.131 64 HA CYS 8 HA CYS 8 -5.977 -1.026 -4.943 65 HB2 CYS 8 HB2 CYS 8 -7.136 1.110 -3.911 66 HB3 CYS 8 HB3 CYS 8 -7.377 0.025 -2.550 67 H VAL 9 H VAL 9 -8.994 -2.036 -3.457 68 HA VAL 9 HA VAL 9 -8.183 -3.379 -1.223 69 HB VAL 9 HB VAL 9 -10.363 -4.199 -3.145 70 HG11 VAL 9 HG11 VAL 9 -11.340 -5.427 -1.271 71 HG12 VAL 9 HG12 VAL 9 -9.934 -5.040 -0.280 72 HG13 VAL 9 HG13 VAL 9 -9.756 -6.072 -1.700 73 HG21 VAL 9 HG21 VAL 9 -10.446 -2.579 -0.607 74 HG22 VAL 9 HG22 VAL 9 -11.836 -3.030 -1.595 75 HG23 VAL 9 HG23 VAL 9 -10.603 -1.950 -2.247 76 H GLY 10 H GLY 10 -8.398 -4.785 -4.484 77 HA2 GLY 10 HA2 GLY 10 -7.357 -7.309 -3.565 78 HA3 GLY 10 HA3 GLY 10 -7.689 -6.865 -5.231 79 H TYR 11 H TYR 11 -5.959 -4.373 -4.750 80 HA TYR 11 HA TYR 11 -3.558 -5.768 -5.651 81 HB2 TYR 11 HB2 TYR 11 -4.431 -2.899 -5.901 82 HB3 TYR 11 HB3 TYR 11 -2.879 -3.506 -6.453 83 HD1 TYR 11 HD1 TYR 11 -5.503 -2.298 -7.887 84 HD2 TYR 11 HD2 TYR 11 -3.709 -6.138 -7.572 85 HE1 TYR 11 HE1 TYR 11 -6.552 -2.958 -10.010 86 HE2 TYR 11 HE2 TYR 11 -4.748 -6.806 -9.689 87 HH TYR 11 HH TYR 11 -6.734 -6.149 -11.063 88 H HIS 12 H HIS 12 -4.334 -2.993 -3.541 89 HA HIS 12 HA HIS 12 -1.700 -3.383 -2.268 90 HB2 HIS 12 HB2 HIS 12 -3.025 -0.692 -2.372 91 HB3 HIS 12 HB3 HIS 12 -1.319 -1.080 -2.196 92 HD1 HIS 12 HD1 HIS 12 -3.469 0.413 -4.516 93 HD2 HIS 12 HD2 HIS 12 -0.451 -2.426 -4.860 94 HE1 HIS 12 HE1 HIS 12 -2.779 0.447 -6.934 95 HE2 HIS 12 HE2 HIS 12 -1.042 -1.365 -7.144 96 H GLY 13 H GLY 13 -4.798 -3.910 -1.742 97 HA2 GLY 13 HA2 GLY 13 -5.564 -4.603 0.412 98 HA3 GLY 13 HA3 GLY 13 -4.540 -3.371 1.135 99 H TYR 14 H TYR 14 -6.803 -3.200 2.222 100 HA TYR 14 HA TYR 14 -8.811 -1.876 0.613 101 HB2 TYR 14 HB2 TYR 14 -10.119 -1.873 2.762 102 HB3 TYR 14 HB3 TYR 14 -9.647 -3.465 2.180 103 HD1 TYR 14 HD1 TYR 14 -8.421 -4.920 3.549 104 HD2 TYR 14 HD2 TYR 14 -8.730 -0.819 4.610 105 HE1 TYR 14 HE1 TYR 14 -7.412 -5.416 5.735 106 HE2 TYR 14 HE2 TYR 14 -7.718 -1.299 6.796 107 HH TYR 14 HH TYR 14 -7.432 -3.196 8.310 108 H CYS 15 H CYS 15 -9.962 0.027 1.993 109 HA CYS 15 HA CYS 15 -7.790 1.991 2.308 110 HB2 CYS 15 HB2 CYS 15 -10.455 2.372 0.940 111 HB3 CYS 15 HB3 CYS 15 -9.248 3.628 1.187 112 H ILE 16 H ILE 16 -7.858 1.984 4.556 113 HA ILE 16 HA ILE 16 -10.350 2.841 5.820 114 HB ILE 16 HB ILE 16 -9.128 2.634 7.964 115 HG12 ILE 16 HG12 ILE 16 -6.907 1.654 6.170 116 HG13 ILE 16 HG13 ILE 16 -6.861 3.019 7.269 117 HG21 ILE 16 HG21 ILE 16 -9.016 0.155 7.931 118 HG22 ILE 16 HG22 ILE 16 -9.207 0.216 6.178 119 HG23 ILE 16 HG23 ILE 16 -10.489 0.819 7.227 120 HD11 ILE 16 HD11 ILE 16 -5.627 1.116 8.144 121 HD12 ILE 16 HD12 ILE 16 -7.089 0.133 8.080 122 HD13 ILE 16 HD13 ILE 16 -7.004 1.515 9.168 123 H ARG 17 H ARG 17 -9.888 4.600 7.621 124 HA ARG 17 HA ARG 17 -9.379 6.930 6.150 125 HB2 ARG 17 HB2 ARG 17 -10.881 6.995 8.024 126 HB3 ARG 17 HB3 ARG 17 -9.621 6.482 9.131 127 HG2 ARG 17 HG2 ARG 17 -8.424 8.593 8.717 128 HG3 ARG 17 HG3 ARG 17 -9.752 9.112 7.674 129 HD2 ARG 17 HD2 ARG 17 -9.975 10.054 9.914 130 HD3 ARG 17 HD3 ARG 17 -11.298 8.945 9.553 131 HE ARG 17 HE ARG 17 -9.290 7.503 10.854 132 HH11 ARG 17 HH11 ARG 17 -11.534 10.095 11.556 133 HH12 ARG 17 HH12 ARG 17 -11.679 9.681 13.235 134 HH21 ARG 17 HH21 ARG 17 -9.478 6.958 13.062 135 HH22 ARG 17 HH22 ARG 17 -10.515 7.896 14.091 136 H SER 18 H SER 18 -7.295 5.141 8.448 137 HA SER 18 HA SER 18 -5.124 6.948 7.699 138 HB2 SER 18 HB2 SER 18 -6.270 7.792 9.786 139 HB3 SER 18 HB3 SER 18 -5.704 6.342 10.589 140 HG SER 18 HG SER 18 -4.274 8.117 10.878 141 H LYS 19 H LYS 19 -3.153 6.235 9.165 142 HA LYS 19 HA LYS 19 -2.416 3.709 8.029 143 HB2 LYS 19 HB2 LYS 19 -0.868 5.582 9.819 144 HB3 LYS 19 HB3 LYS 19 -0.196 4.306 8.811 145 HG2 LYS 19 HG2 LYS 19 -0.427 5.503 6.897 146 HG3 LYS 19 HG3 LYS 19 -1.848 6.370 7.478 147 HD2 LYS 19 HD2 LYS 19 0.863 6.822 8.654 148 HD3 LYS 19 HD3 LYS 19 0.328 7.687 7.213 149 HE2 LYS 19 HE2 LYS 19 -1.611 8.530 8.463 150 HE3 LYS 19 HE3 LYS 19 -1.048 7.677 9.898 151 HZ1 LYS 19 HZ1 LYS 19 0.385 9.839 8.528 152 HZ2 LYS 19 HZ2 LYS 19 0.929 9.040 9.837 153 HZ3 LYS 19 HZ3 LYS 19 -0.400 9.970 9.950 154 H VAL 20 H VAL 20 -4.239 4.135 10.499 155 HA VAL 20 HA VAL 20 -3.013 2.698 12.641 156 HB VAL 20 HB VAL 20 -5.985 2.716 12.211 157 HG11 VAL 20 HG11 VAL 20 -5.114 1.477 14.119 158 HG12 VAL 20 HG12 VAL 20 -6.034 2.886 14.649 159 HG13 VAL 20 HG13 VAL 20 -4.271 2.921 14.684 160 HG21 VAL 20 HG21 VAL 20 -4.329 5.033 13.193 161 HG22 VAL 20 HG22 VAL 20 -6.086 4.923 13.292 162 HG23 VAL 20 HG23 VAL 20 -5.293 4.975 11.719 163 H CYS 21 H CYS 21 -2.634 1.350 10.150 164 HA CYS 21 HA CYS 21 -4.378 -0.759 9.628 165 HB2 CYS 21 HB2 CYS 21 -1.379 -0.757 9.284 166 HB3 CYS 21 HB3 CYS 21 -2.551 -1.702 8.371 167 HA PRO 22 HA PRO 22 -3.597 -3.553 13.067 168 HB2 PRO 22 HB2 PRO 22 -4.847 -5.707 11.974 169 HB3 PRO 22 HB3 PRO 22 -5.726 -4.365 12.714 170 HG2 PRO 22 HG2 PRO 22 -5.190 -4.913 9.823 171 HG3 PRO 22 HG3 PRO 22 -6.680 -4.345 10.599 172 HD2 PRO 22 HD2 PRO 22 -4.981 -2.680 9.306 173 HD3 PRO 22 HD3 PRO 22 -5.945 -2.166 10.704 174 H LYS 23 H LYS 23 -2.921 -6.113 12.955 175 HA LYS 23 HA LYS 23 -0.677 -6.177 11.068 176 HB2 LYS 23 HB2 LYS 23 0.421 -6.061 13.074 177 HB3 LYS 23 HB3 LYS 23 -0.894 -6.810 13.961 178 HG2 LYS 23 HG2 LYS 23 0.716 -8.472 12.086 179 HG3 LYS 23 HG3 LYS 23 1.385 -8.039 13.661 180 HD2 LYS 23 HD2 LYS 23 -0.426 -9.072 14.806 181 HD3 LYS 23 HD3 LYS 23 -1.336 -9.274 13.308 182 HE2 LYS 23 HE2 LYS 23 0.374 -10.839 12.499 183 HE3 LYS 23 HE3 LYS 23 1.267 -10.637 14.005 184 HZ1 LYS 23 HZ1 LYS 23 -1.438 -11.746 13.773 185 HZ2 LYS 23 HZ2 LYS 23 -0.616 -11.565 15.161 186 HZ3 LYS 23 HZ3 LYS 23 -0.084 -12.609 14.036 187 HA PRO 24 HA PRO 24 0.617 -7.268 10.207 188 HB2 PRO 24 HB2 PRO 24 1.350 -8.733 8.107 189 HB3 PRO 24 HB3 PRO 24 1.575 -9.329 9.756 190 HG2 PRO 24 HG2 PRO 24 -0.494 -10.066 7.745 191 HG3 PRO 24 HG3 PRO 24 0.330 -11.083 8.937 192 HD2 PRO 24 HD2 PRO 24 -2.222 -9.958 9.209 193 HD3 PRO 24 HD3 PRO 24 -1.244 -10.659 10.511 194 H PHE 25 H PHE 25 -0.280 -5.354 9.467 195 HA PHE 25 HA PHE 25 -0.913 -5.296 6.612 196 HB2 PHE 25 HB2 PHE 25 -2.625 -4.126 8.809 197 HB3 PHE 25 HB3 PHE 25 -2.712 -3.552 7.149 198 HD1 PHE 25 HD1 PHE 25 -3.069 -6.598 9.245 199 HD2 PHE 25 HD2 PHE 25 -4.066 -4.627 5.608 200 HE1 PHE 25 HE1 PHE 25 -4.677 -8.382 8.720 201 HE2 PHE 25 HE2 PHE 25 -5.666 -6.414 5.077 202 HZ PHE 25 HZ PHE 25 -5.965 -8.288 6.629 203 H ALA 26 H ALA 26 -0.154 -3.506 5.563 204 HA ALA 26 HA ALA 26 1.310 -1.587 7.256 205 HB1 ALA 26 HB1 ALA 26 3.043 -1.446 5.636 206 HB2 ALA 26 HB2 ALA 26 2.117 -2.390 4.472 207 HB3 ALA 26 HB3 ALA 26 2.750 -3.163 5.926 208 H ALA 27 H ALA 27 0.942 0.499 6.964 209 HA ALA 27 HA ALA 27 -1.047 1.553 5.313 210 HB1 ALA 27 HB1 ALA 27 -0.298 2.701 7.299 211 HB2 ALA 27 HB2 ALA 27 -0.027 3.737 5.896 212 HB3 ALA 27 HB3 ALA 27 1.323 2.873 6.630 213 H PHE 28 H PHE 28 -0.856 1.078 3.173 214 HA PHE 28 HA PHE 28 1.692 1.611 1.849 215 HB2 PHE 28 HB2 PHE 28 -0.334 -0.379 1.558 216 HB3 PHE 28 HB3 PHE 28 -0.241 0.519 0.058 217 HD1 PHE 28 HD1 PHE 28 2.512 1.131 -0.320 218 HD2 PHE 28 HD2 PHE 28 0.752 -2.365 1.341 219 HE1 PHE 28 HE1 PHE 28 4.494 -0.169 -0.953 220 HE2 PHE 28 HE2 PHE 28 2.729 -3.674 0.706 221 HZ PHE 28 HZ PHE 28 4.608 -2.573 -0.446 222 H GLY 29 H GLY 29 1.586 3.822 1.864 223 HA2 GLY 29 HA2 GLY 29 1.060 5.919 1.107 224 HA3 GLY 29 HA3 GLY 29 0.706 5.095 -0.400 225 H THR 30 H THR 30 -1.033 6.107 -1.090 226 HA THR 30 HA THR 30 -3.466 5.872 0.520 227 HB THR 30 HB THR 30 -4.191 8.121 -0.200 228 HG1 THR 30 HG1 THR 30 -2.430 7.977 -2.007 229 HG21 THR 30 HG21 THR 30 -2.624 9.458 1.197 230 HG22 THR 30 HG22 THR 30 -1.542 8.065 1.253 231 HG23 THR 30 HG23 THR 30 -3.150 7.966 1.976 232 H CYS 31 H CYS 31 -5.219 5.261 -0.682 233 HA CYS 31 HA CYS 31 -4.620 4.399 -3.382 234 HB2 CYS 31 HB2 CYS 31 -6.862 3.268 -3.191 235 HB3 CYS 31 HB3 CYS 31 -5.640 2.742 -2.040 236 H SER 32 H SER 32 -7.533 5.892 -1.995 237 HA SER 32 HA SER 32 -8.039 7.034 -4.632 238 HB2 SER 32 HB2 SER 32 -10.325 7.474 -3.419 239 HB3 SER 32 HB3 SER 32 -9.896 5.840 -3.938 240 HG SER 32 HG SER 32 -10.102 5.293 -1.931 241 H TRP 33 H TRP 33 -8.957 8.189 -1.421 242 HA TRP 33 HA TRP 33 -7.908 10.831 -2.097 243 HB2 TRP 33 HB2 TRP 33 -9.213 10.236 0.532 244 HB3 TRP 33 HB3 TRP 33 -9.272 11.704 -0.433 245 HD1 TRP 33 HD1 TRP 33 -11.595 9.394 0.763 246 HE1 TRP 33 HE1 TRP 33 -13.575 8.971 -0.804 247 HE3 TRP 33 HE3 TRP 33 -9.629 11.281 -3.569 248 HZ2 TRP 33 HZ2 TRP 33 -14.222 9.354 -3.496 249 HZ3 TRP 33 HZ3 TRP 33 -11.015 11.208 -5.604 250 HH2 TRP 33 HH2 TRP 33 -13.256 10.273 -5.567 251 H ARG 34 H ARG 34 -6.249 11.802 -0.866 252 HA ARG 34 HA ARG 34 -4.334 10.117 0.354 253 HB2 ARG 34 HB2 ARG 34 -3.786 12.321 -0.615 254 HB3 ARG 34 HB3 ARG 34 -4.722 13.107 0.644 255 HG2 ARG 34 HG2 ARG 34 -2.440 11.334 1.365 256 HG3 ARG 34 HG3 ARG 34 -2.147 12.977 0.829 257 HD2 ARG 34 HD2 ARG 34 -3.742 12.072 3.215 258 HD3 ARG 34 HD3 ARG 34 -2.228 12.973 3.221 259 HE ARG 34 HE ARG 34 -3.899 14.602 1.860 260 HH11 ARG 34 HH11 ARG 34 -4.068 13.020 4.975 261 HH12 ARG 34 HH12 ARG 34 -5.145 14.197 5.659 262 HH21 ARG 34 HH21 ARG 34 -5.311 16.156 2.748 263 HH22 ARG 34 HH22 ARG 34 -5.851 15.989 4.389 264 H GLN 35 H GLN 35 -7.072 11.835 1.435 265 HA GLN 35 HA GLN 35 -6.863 11.939 4.167 266 HB2 GLN 35 HB2 GLN 35 -9.356 11.134 2.671 267 HB3 GLN 35 HB3 GLN 35 -9.269 11.913 4.242 268 HG2 GLN 35 HG2 GLN 35 -8.169 13.849 3.104 269 HG3 GLN 35 HG3 GLN 35 -8.559 13.077 1.573 270 HE21 GLN 35 HE21 GLN 35 -11.089 12.011 2.631 271 HE22 GLN 35 HE22 GLN 35 -12.175 13.355 2.676 272 H LYS 36 H LYS 36 -7.160 9.132 2.195 273 HA LYS 36 HA LYS 36 -7.353 7.488 4.628 274 HB2 LYS 36 HB2 LYS 36 -8.488 5.757 3.139 275 HB3 LYS 36 HB3 LYS 36 -9.443 7.129 3.672 276 HG2 LYS 36 HG2 LYS 36 -8.540 8.073 1.319 277 HG3 LYS 36 HG3 LYS 36 -8.578 6.345 0.969 278 HD2 LYS 36 HD2 LYS 36 -10.886 7.919 2.101 279 HD3 LYS 36 HD3 LYS 36 -10.680 7.534 0.395 280 HE2 LYS 36 HE2 LYS 36 -12.200 5.972 1.289 281 HE3 LYS 36 HE3 LYS 36 -10.694 5.108 1.037 282 HZ1 LYS 36 HZ1 LYS 36 -11.635 4.539 3.138 283 HZ2 LYS 36 HZ2 LYS 36 -11.749 6.092 3.596 284 HZ3 LYS 36 HZ3 LYS 36 -10.288 5.406 3.422 285 H THR 37 H THR 37 -6.308 5.503 4.618 286 HA THR 37 HA THR 37 -3.907 5.479 2.923 287 HB THR 37 HB THR 37 -4.422 4.073 5.559 288 HG1 THR 37 HG1 THR 37 -3.775 6.670 4.977 289 HG21 THR 37 HG21 THR 37 -1.828 4.626 4.108 290 HG22 THR 37 HG22 THR 37 -2.645 3.064 4.171 291 HG23 THR 37 HG23 THR 37 -2.009 3.786 5.649 292 H CYS 38 H CYS 38 -3.210 3.503 1.943 293 HA CYS 38 HA CYS 38 -5.359 1.537 1.596 294 HB2 CYS 38 HB2 CYS 38 -4.137 2.604 -0.378 295 HB3 CYS 38 HB3 CYS 38 -2.731 1.672 0.112 296 H CYS 39 H CYS 39 -5.291 -0.222 2.883 297 HA CYS 39 HA CYS 39 -2.671 -0.973 4.007 298 HB2 CYS 39 HB2 CYS 39 -5.404 -1.116 5.280 299 HB3 CYS 39 HB3 CYS 39 -3.935 -1.770 5.997 300 H VAL 40 H VAL 40 -1.966 -2.784 3.129 301 HA VAL 40 HA VAL 40 -3.927 -4.855 2.406 302 HB VAL 40 HB VAL 40 -2.367 -3.979 0.629 303 HG11 VAL 40 HG11 VAL 40 -0.087 -4.735 0.569 304 HG12 VAL 40 HG12 VAL 40 -0.287 -5.569 2.110 305 HG13 VAL 40 HG13 VAL 40 -0.369 -3.810 2.044 306 HG21 VAL 40 HG21 VAL 40 -3.535 -6.072 0.333 307 HG22 VAL 40 HG22 VAL 40 -2.297 -6.928 1.253 308 HG23 VAL 40 HG23 VAL 40 -1.899 -6.211 -0.313 309 H ASP 41 H ASP 41 -3.588 -6.997 2.971 310 HA ASP 41 HA ASP 41 -2.394 -7.542 5.477 311 HB2 ASP 41 HB2 ASP 41 -4.245 -8.869 4.737 312 HB3 ASP 41 HB3 ASP 41 -3.410 -9.303 3.257 313 H THR 42 H THR 42 -0.304 -6.973 5.470 314 HA THR 42 HA THR 42 1.429 -7.667 3.272 315 HB THR 42 HB THR 42 3.137 -6.434 4.769 316 HG1 THR 42 HG1 THR 42 1.722 -6.671 6.668 317 HG21 THR 42 HG21 THR 42 1.984 -5.446 2.792 318 HG22 THR 42 HG22 THR 42 2.359 -4.273 4.048 319 HG23 THR 42 HG23 THR 42 0.711 -4.871 3.870 320 H THR 43 H THR 43 1.391 -9.993 3.555 321 HA THR 43 HA THR 43 3.234 -10.826 5.689 322 HB THR 43 HB THR 43 1.420 -12.161 6.096 323 HG1 THR 43 HG1 THR 43 2.734 -13.804 5.866 324 HG21 THR 43 HG21 THR 43 0.876 -12.096 3.141 325 HG22 THR 43 HG22 THR 43 -0.116 -11.483 4.459 326 HG23 THR 43 HG23 THR 43 0.056 -13.220 4.219 327 H SER 44 H SER 44 2.432 -12.415 2.604 328 HA SER 44 HA SER 44 5.211 -12.205 1.766 329 HB2 SER 44 HB2 SER 44 3.925 -14.382 1.634 330 HB3 SER 44 HB3 SER 44 2.955 -13.633 0.370 331 HG SER 44 HG SER 44 5.750 -14.124 0.348 332 H ASP 45 H ASP 45 1.951 -11.329 0.795 333 HA ASP 45 HA ASP 45 2.469 -10.302 -1.756 334 HB2 ASP 45 HB2 ASP 45 0.273 -9.398 0.112 335 HB3 ASP 45 HB3 ASP 45 0.262 -9.348 -1.646 336 H PHE 46 H PHE 46 3.255 -9.055 1.246 337 HA PHE 46 HA PHE 46 2.688 -6.362 1.108 338 HB2 PHE 46 HB2 PHE 46 4.112 -6.092 2.939 339 HB3 PHE 46 HB3 PHE 46 3.438 -7.710 3.059 340 HD1 PHE 46 HD1 PHE 46 6.404 -5.846 3.115 341 HD2 PHE 46 HD2 PHE 46 4.757 -9.573 2.040 342 HE1 PHE 46 HE1 PHE 46 8.650 -6.851 3.248 343 HE2 PHE 46 HE2 PHE 46 6.965 -10.626 2.165 344 HZ PHE 46 HZ PHE 46 8.943 -9.259 2.769 345 H HIS 47 H HIS 47 5.022 -8.077 -0.612 346 HA HIS 47 HA HIS 47 7.027 -6.166 -0.976 347 HB2 HIS 47 HB2 HIS 47 6.092 -8.460 -2.647 348 HB3 HIS 47 HB3 HIS 47 7.371 -7.396 -3.221 349 HD1 HIS 47 HD1 HIS 47 9.444 -7.157 -1.410 350 HD2 HIS 47 HD2 HIS 47 7.003 -10.514 -1.140 351 HE1 HIS 47 HE1 HIS 47 10.708 -8.800 0.009 352 HE2 HIS 47 HE2 HIS 47 9.261 -10.864 0.074 353 H THR 48 H THR 48 3.895 -5.735 -1.733 354 HA THR 48 HA THR 48 3.535 -4.810 -4.277 355 HB THR 48 HB THR 48 2.379 -3.551 -1.819 356 HG1 THR 48 HG1 THR 48 2.296 -6.121 -2.586 357 HG21 THR 48 HG21 THR 48 1.234 -3.991 -4.574 358 HG22 THR 48 HG22 THR 48 1.715 -2.444 -3.873 359 HG23 THR 48 HG23 THR 48 0.349 -3.333 -3.197 360 H CYS 49 H CYS 49 5.812 -3.432 -2.284 361 HA CYS 49 HA CYS 49 5.620 -0.728 -2.329 362 HB2 CYS 49 HB2 CYS 49 7.512 -2.120 -1.412 363 HB3 CYS 49 HB3 CYS 49 8.165 -2.178 -3.047 364 H GLN 50 H GLN 50 7.211 -2.536 -5.006 365 HA GLN 50 HA GLN 50 7.564 -0.237 -6.586 366 HB2 GLN 50 HB2 GLN 50 8.183 -1.745 -8.390 367 HB3 GLN 50 HB3 GLN 50 8.963 -2.197 -6.891 368 HG2 GLN 50 HG2 GLN 50 6.542 -3.557 -8.064 369 HG3 GLN 50 HG3 GLN 50 8.203 -4.125 -8.215 370 HE21 GLN 50 HE21 GLN 50 5.423 -3.958 -6.240 371 HE22 GLN 50 HE22 GLN 50 6.066 -4.799 -4.855 372 H ASP 51 H ASP 51 4.770 -2.159 -6.097 373 HA ASP 51 HA ASP 51 3.447 -1.494 -8.550 374 HB2 ASP 51 HB2 ASP 51 2.395 -2.404 -5.865 375 HB3 ASP 51 HB3 ASP 51 1.355 -2.095 -7.247 376 H LYS 52 H LYS 52 3.797 -0.095 -5.396 377 HA LYS 52 HA LYS 52 1.884 2.026 -5.829 378 HB2 LYS 52 HB2 LYS 52 3.874 1.422 -3.656 379 HB3 LYS 52 HB3 LYS 52 2.857 2.853 -3.642 380 HG2 LYS 52 HG2 LYS 52 1.736 0.083 -3.829 381 HG3 LYS 52 HG3 LYS 52 2.098 0.859 -2.291 382 HD2 LYS 52 HD2 LYS 52 0.204 1.890 -4.408 383 HD3 LYS 52 HD3 LYS 52 -0.262 1.126 -2.890 384 HE2 LYS 52 HE2 LYS 52 -0.469 3.320 -2.288 385 HE3 LYS 52 HE3 LYS 52 1.222 3.063 -1.867 386 HZ1 LYS 52 HZ1 LYS 52 0.223 4.317 -4.328 387 HZ2 LYS 52 HZ2 LYS 52 1.788 4.019 -4.027 388 HZ3 LYS 52 HZ3 LYS 52 0.979 5.072 -3.101 389 H GLY 53 H GLY 53 5.091 1.427 -6.646 390 HA2 GLY 53 HA2 GLY 53 6.325 2.978 -8.017 391 HA3 GLY 53 HA3 GLY 53 5.569 4.296 -7.127 392 H GLY 54 H GLY 54 6.798 1.460 -5.542 393 HA2 GLY 54 HA2 GLY 54 8.343 2.816 -3.677 394 HA3 GLY 54 HA3 GLY 54 8.533 1.116 -4.088 395 H HIS 55 H HIS 55 10.187 3.823 -3.754 396 HA HIS 55 HA HIS 55 11.818 3.589 -6.178 397 HB2 HIS 55 HB2 HIS 55 11.760 5.675 -3.994 398 HB3 HIS 55 HB3 HIS 55 12.886 5.695 -5.344 399 HD1 HIS 55 HD1 HIS 55 11.883 6.224 -7.711 400 HD2 HIS 55 HD2 HIS 55 9.208 6.552 -4.548 401 HE1 HIS 55 HE1 HIS 55 9.910 7.499 -8.619 402 HE2 HIS 55 HE2 HIS 55 8.251 7.586 -6.715 403 H CYS 56 H CYS 56 14.223 3.952 -5.789 404 HA CYS 56 HA CYS 56 15.106 2.414 -3.451 405 HB2 CYS 56 HB2 CYS 56 15.942 2.075 -6.333 406 HB3 CYS 56 HB3 CYS 56 16.872 1.427 -4.984 407 H VAL 57 H VAL 57 16.383 3.617 -2.254 408 HA VAL 57 HA VAL 57 18.139 5.549 -3.604 409 HB VAL 57 HB VAL 57 17.750 7.185 -1.878 410 HG11 VAL 57 HG11 VAL 57 15.145 6.149 -2.954 411 HG12 VAL 57 HG12 VAL 57 16.270 7.217 -3.793 412 HG13 VAL 57 HG13 VAL 57 15.437 7.777 -2.342 413 HG21 VAL 57 HG21 VAL 57 15.853 5.192 -0.652 414 HG22 VAL 57 HG22 VAL 57 16.029 6.871 -0.145 415 HG23 VAL 57 HG23 VAL 57 17.380 5.753 0.031 416 H SER 58 H SER 58 20.136 5.791 -2.794 417 HA SER 58 HA SER 58 21.208 3.654 -1.243 418 HB2 SER 58 HB2 SER 58 23.327 4.608 -1.788 419 HB3 SER 58 HB3 SER 58 22.312 4.939 -3.184 420 HG SER 58 HG SER 58 23.167 6.871 -2.778 421 HA PRO 59 HA PRO 59 21.233 5.486 2.813 422 HB2 PRO 59 HB2 PRO 59 23.810 5.081 3.657 423 HB3 PRO 59 HB3 PRO 59 22.566 3.828 3.638 424 HG2 PRO 59 HG2 PRO 59 24.751 4.359 1.669 425 HG3 PRO 59 HG3 PRO 59 24.154 2.809 2.291 426 HD2 PRO 59 HD2 PRO 59 23.467 3.745 -0.138 427 HD3 PRO 59 HD3 PRO 59 22.351 2.785 0.847 428 H LYS 60 H LYS 60 22.991 6.781 0.285 429 HA LYS 60 HA LYS 60 23.947 9.080 1.841 430 HB2 LYS 60 HB2 LYS 60 24.416 8.380 -1.064 431 HB3 LYS 60 HB3 LYS 60 25.143 9.726 -0.203 432 HG2 LYS 60 HG2 LYS 60 25.579 6.819 0.446 433 HG3 LYS 60 HG3 LYS 60 26.673 7.828 -0.498 434 HD2 LYS 60 HD2 LYS 60 26.868 9.340 1.475 435 HD3 LYS 60 HD3 LYS 60 25.921 8.172 2.400 436 HE2 LYS 60 HE2 LYS 60 27.615 6.454 1.938 437 HE3 LYS 60 HE3 LYS 60 28.566 7.642 1.047 438 HZ1 LYS 60 HZ1 LYS 60 28.745 8.900 3.094 439 HZ2 LYS 60 HZ2 LYS 60 29.373 7.412 3.269 440 HZ3 LYS 60 HZ3 LYS 60 27.917 7.755 3.905 441 H ILE 61 H ILE 61 21.331 8.070 -0.042 442 HA ILE 61 HA ILE 61 20.748 10.615 -1.280 443 HB ILE 61 HB ILE 61 19.061 8.121 -1.042 444 HG12 ILE 61 HG12 ILE 61 21.186 7.891 -2.322 445 HG13 ILE 61 HG13 ILE 61 19.741 7.595 -3.280 446 HG21 ILE 61 HG21 ILE 61 17.699 9.076 -2.838 447 HG22 ILE 61 HG22 ILE 61 18.669 10.546 -2.788 448 HG23 ILE 61 HG23 ILE 61 17.684 10.096 -1.398 449 HD11 ILE 61 HD11 ILE 61 21.421 10.087 -3.290 450 HD12 ILE 61 HD12 ILE 61 19.941 9.849 -4.217 451 HD13 ILE 61 HD13 ILE 61 21.354 8.848 -4.544 452 H ARG 62 H ARG 62 19.320 12.110 -0.608 453 HA ARG 62 HA ARG 62 18.234 11.748 2.083 454 HB2 ARG 62 HB2 ARG 62 18.646 14.218 0.398 455 HB3 ARG 62 HB3 ARG 62 17.726 14.237 1.896 456 HG2 ARG 62 HG2 ARG 62 19.865 14.961 2.490 457 HG3 ARG 62 HG3 ARG 62 19.797 13.274 3.000 458 HD2 ARG 62 HD2 ARG 62 21.923 13.726 1.939 459 HD3 ARG 62 HD3 ARG 62 20.975 12.624 0.940 460 HE ARG 62 HE ARG 62 20.630 15.368 0.197 461 HH11 ARG 62 HH11 ARG 62 22.687 12.556 -0.204 462 HH12 ARG 62 HH12 ARG 62 23.351 13.115 -1.709 463 HH21 ARG 62 HH21 ARG 62 21.507 16.085 -1.783 464 HH22 ARG 62 HH22 ARG 62 22.687 15.110 -2.602 465 H CYS 63 H CYS 63 16.546 10.444 1.650 466 HA CYS 63 HA CYS 63 14.266 11.674 0.267 467 HB2 CYS 63 HB2 CYS 63 15.319 10.002 -1.233 468 HB3 CYS 63 HB3 CYS 63 15.118 8.783 0.017 469 H LEU 64 H LEU 64 12.208 11.040 1.104 470 HA LEU 64 HA LEU 64 12.237 10.166 3.837 471 HB2 LEU 64 HB2 LEU 64 9.993 10.606 1.886 472 HB3 LEU 64 HB3 LEU 64 9.757 10.174 3.570 473 HG LEU 64 HG LEU 64 10.948 12.724 2.490 474 HD11 LEU 64 HD11 LEU 64 9.069 13.740 3.657 475 HD12 LEU 64 HD12 LEU 64 8.512 12.140 4.141 476 HD13 LEU 64 HD13 LEU 64 8.531 12.588 2.437 477 HD21 LEU 64 HD21 LEU 64 10.731 11.791 5.352 478 HD22 LEU 64 HD22 LEU 64 11.169 13.419 4.839 479 HD23 LEU 64 HD23 LEU 64 12.222 12.061 4.451 480 H GLU 65 H GLU 65 13.264 8.205 3.704 481 HA GLU 65 HA GLU 65 12.411 6.217 1.816 482 HB2 GLU 65 HB2 GLU 65 14.239 4.863 2.677 483 HB3 GLU 65 HB3 GLU 65 14.785 6.495 2.326 484 HG2 GLU 65 HG2 GLU 65 13.993 5.682 5.098 485 HG3 GLU 65 HG3 GLU 65 15.605 5.359 4.470 486 H GLU 66 H GLU 66 12.224 3.938 2.548 487 HA GLU 66 HA GLU 66 11.472 2.241 3.839 488 HB2 GLU 66 HB2 GLU 66 10.676 4.325 5.870 489 HB3 GLU 66 HB3 GLU 66 10.521 2.586 6.087 490 HG2 GLU 66 HG2 GLU 66 13.113 2.741 5.417 491 HG3 GLU 66 HG3 GLU 66 12.900 4.309 6.189 492 H GLN 67 H GLN 67 10.160 2.259 1.923 493 HA GLN 67 HA GLN 67 7.339 2.792 2.489 494 HB2 GLN 67 HB2 GLN 67 8.249 3.426 0.272 495 HB3 GLN 67 HB3 GLN 67 8.632 1.736 -0.030 496 HG2 GLN 67 HG2 GLN 67 6.306 1.148 -0.002 497 HG3 GLN 67 HG3 GLN 67 5.859 2.779 0.492 498 HE21 GLN 67 HE21 GLN 67 5.072 1.221 -1.856 499 HE22 GLN 67 HE22 GLN 67 5.521 2.176 -3.224 500 H LEU 68 H LEU 68 9.039 0.069 0.927 501 HA LEU 68 HA LEU 68 8.619 -1.749 3.018 502 HB2 LEU 68 HB2 LEU 68 6.236 -1.389 2.068 503 HB3 LEU 68 HB3 LEU 68 6.794 -2.352 0.706 504 HG LEU 68 HG LEU 68 6.951 -4.296 1.960 505 HD11 LEU 68 HD11 LEU 68 6.910 -4.306 4.460 506 HD12 LEU 68 HD12 LEU 68 7.025 -2.548 4.425 507 HD13 LEU 68 HD13 LEU 68 8.336 -3.532 3.774 508 HD21 LEU 68 HD21 LEU 68 4.884 -4.374 3.393 509 HD22 LEU 68 HD22 LEU 68 4.645 -3.801 1.744 510 HD23 LEU 68 HD23 LEU 68 4.692 -2.649 3.081 511 H GLY 69 H GLY 69 10.006 -3.399 2.764 512 HA2 GLY 69 HA2 GLY 69 10.889 -5.244 1.583 513 HA3 GLY 69 HA3 GLY 69 10.478 -4.443 0.075 514 H LEU 70 H LEU 70 12.894 -5.651 0.399 515 HA LEU 70 HA LEU 70 14.796 -3.473 0.861 516 HB2 LEU 70 HB2 LEU 70 15.266 -5.573 2.023 517 HB3 LEU 70 HB3 LEU 70 15.241 -6.439 0.499 518 HG LEU 70 HG LEU 70 17.236 -5.217 -0.242 519 HD11 LEU 70 HD11 LEU 70 18.491 -3.845 1.371 520 HD12 LEU 70 HD12 LEU 70 17.140 -3.964 2.499 521 HD13 LEU 70 HD13 LEU 70 16.930 -3.139 0.955 522 HD21 LEU 70 HD21 LEU 70 18.829 -6.254 1.306 523 HD22 LEU 70 HD22 LEU 70 17.508 -7.344 0.887 524 HD23 LEU 70 HD23 LEU 70 17.519 -6.535 2.453 525 H CYS 71 H CYS 71 15.705 -2.479 -0.764 526 HA CYS 71 HA CYS 71 14.983 -3.001 -3.448 527 HB2 CYS 71 HB2 CYS 71 16.804 -1.074 -2.067 528 HB3 CYS 71 HB3 CYS 71 16.874 -1.226 -3.820 529 HA PRO 72 HA PRO 72 17.960 -5.621 -5.428 530 HB2 PRO 72 HB2 PRO 72 19.382 -3.476 -6.748 531 HB3 PRO 72 HB3 PRO 72 18.282 -4.670 -7.448 532 HG2 PRO 72 HG2 PRO 72 17.749 -1.900 -6.606 533 HG3 PRO 72 HG3 PRO 72 16.851 -2.927 -7.735 534 HD2 PRO 72 HD2 PRO 72 15.870 -2.286 -5.318 535 HD3 PRO 72 HD3 PRO 72 15.580 -3.881 -6.048 536 H LEU 73 H LEU 73 19.534 -2.520 -4.541 537 HA LEU 73 HA LEU 73 21.900 -3.904 -3.669 538 HB2 LEU 73 HB2 LEU 73 21.110 -1.022 -3.276 539 HB3 LEU 73 HB3 LEU 73 22.650 -1.707 -2.826 540 HG LEU 73 HG LEU 73 23.152 -0.663 -4.773 541 HD11 LEU 73 HD11 LEU 73 23.590 -2.313 -6.445 542 HD12 LEU 73 HD12 LEU 73 22.356 -3.377 -5.772 543 HD13 LEU 73 HD13 LEU 73 23.813 -3.021 -4.845 544 HD21 LEU 73 HD21 LEU 73 21.019 0.113 -5.454 545 HD22 LEU 73 HD22 LEU 73 20.484 -1.522 -5.855 546 HD23 LEU 73 HD23 LEU 73 21.732 -0.739 -6.824 547 H LYS 74 H LYS 74 22.606 -4.142 -1.592 548 HA LYS 74 HA LYS 74 20.402 -4.777 0.174 549 HB2 LYS 74 HB2 LYS 74 23.368 -5.230 0.546 550 HB3 LYS 74 HB3 LYS 74 22.087 -5.923 1.533 551 HG2 LYS 74 HG2 LYS 74 22.509 -6.446 -1.404 552 HG3 LYS 74 HG3 LYS 74 22.967 -7.526 -0.086 553 HD2 LYS 74 HD2 LYS 74 20.649 -7.784 0.559 554 HD3 LYS 74 HD3 LYS 74 20.151 -6.605 -0.656 555 HE2 LYS 74 HE2 LYS 74 20.919 -8.068 -2.427 556 HE3 LYS 74 HE3 LYS 74 21.506 -9.231 -1.242 557 HZ1 LYS 74 HZ1 LYS 74 19.362 -9.835 -2.136 558 HZ2 LYS 74 HZ2 LYS 74 18.701 -8.457 -1.590 559 HZ3 LYS 74 HZ3 LYS 74 19.254 -9.561 -0.537 560 H ARG 75 H ARG 75 22.593 -2.232 -0.194 561 HA ARG 75 HA ARG 75 22.373 -1.368 2.587 562 HB2 ARG 75 HB2 ARG 75 23.957 -0.342 0.240 563 HB3 ARG 75 HB3 ARG 75 23.904 0.475 1.798 564 HG2 ARG 75 HG2 ARG 75 24.944 -1.354 2.888 565 HG3 ARG 75 HG3 ARG 75 24.764 -2.383 1.466 566 HD2 ARG 75 HD2 ARG 75 26.399 0.139 1.532 567 HD3 ARG 75 HD3 ARG 75 27.059 -1.472 1.811 568 HE ARG 75 HE ARG 75 25.601 -1.224 -0.670 569 HH11 ARG 75 HH11 ARG 75 28.707 -0.821 0.904 570 HH12 ARG 75 HH12 ARG 75 29.620 -0.993 -0.559 571 HH21 ARG 75 HH21 ARG 75 26.807 -1.469 -2.605 572 HH22 ARG 75 HH22 ARG 75 28.538 -1.367 -2.559 573 H TRP 76 H TRP 76 20.484 -1.175 -0.049 574 HA TRP 76 HA TRP 76 19.788 1.655 0.282 575 HB2 TRP 76 HB2 TRP 76 19.094 -0.323 -1.893 576 HB3 TRP 76 HB3 TRP 76 18.488 1.330 -1.828 577 HD1 TRP 76 HD1 TRP 76 22.137 0.260 -1.152 578 HE1 TRP 76 HE1 TRP 76 23.642 1.403 -2.877 579 HE3 TRP 76 HE3 TRP 76 18.549 2.540 -3.987 580 HZ2 TRP 76 HZ2 TRP 76 23.356 3.027 -5.140 581 HZ3 TRP 76 HZ3 TRP 76 19.254 3.894 -5.903 582 HH2 TRP 76 HH2 TRP 76 21.611 4.145 -6.461 583 H THR 77 H THR 77 17.622 2.281 0.486 584 HA THR 77 HA THR 77 15.861 0.206 1.616 585 HB THR 77 HB THR 77 15.869 3.162 2.265 586 HG1 THR 77 HG1 THR 77 17.280 0.998 3.320 587 HG21 THR 77 HG21 THR 77 14.476 0.836 3.592 588 HG22 THR 77 HG22 THR 77 13.705 2.060 2.583 589 HG23 THR 77 HG23 THR 77 14.428 2.514 4.125 590 H CYS 78 H CYS 78 13.819 0.039 0.764 591 HA CYS 78 HA CYS 78 13.172 1.441 -1.622 592 HB2 CYS 78 HB2 CYS 78 12.275 -0.818 -1.164 593 HB3 CYS 78 HB3 CYS 78 11.359 -0.171 0.194 594 H CYS 79 H CYS 79 12.218 3.360 -1.844 595 HA CYS 79 HA CYS 79 11.390 4.683 0.649 596 HB2 CYS 79 HB2 CYS 79 13.365 5.705 -0.010 597 HB3 CYS 79 HB3 CYS 79 12.937 5.683 -1.726 598 H LYS 80 H LYS 80 9.595 5.925 0.705 599 HA LYS 80 HA LYS 80 7.662 5.406 -1.401 600 HB2 LYS 80 HB2 LYS 80 7.257 5.189 1.131 601 HB3 LYS 80 HB3 LYS 80 7.190 6.944 1.141 602 HG2 LYS 80 HG2 LYS 80 5.354 6.824 -0.523 603 HG3 LYS 80 HG3 LYS 80 5.381 5.068 -0.354 604 HD2 LYS 80 HD2 LYS 80 4.845 7.038 1.868 605 HD3 LYS 80 HD3 LYS 80 3.624 6.099 1.013 606 HE2 LYS 80 HE2 LYS 80 3.937 4.849 2.930 607 HE3 LYS 80 HE3 LYS 80 5.019 4.054 1.793 608 HZ1 LYS 80 HZ1 LYS 80 6.837 5.292 2.771 609 HZ2 LYS 80 HZ2 LYS 80 6.082 4.408 3.904 610 HZ3 LYS 80 HZ3 LYS 80 5.828 6.010 3.825 611 H GLU 81 H GLU 81 8.206 6.696 -3.049 612 HA GLU 81 HA GLU 81 8.408 8.499 -4.361 613 HB2 GLU 81 HB2 GLU 81 6.571 9.500 -2.255 614 HB3 GLU 81 HB3 GLU 81 7.235 10.653 -3.407 615 HG2 GLU 81 HG2 GLU 81 5.623 8.192 -4.045 616 HG3 GLU 81 HG3 GLU 81 5.119 9.873 -4.196 617 H ILE 82 H ILE 82 10.219 9.398 -4.759 618 HA ILE 82 HA ILE 82 11.905 10.501 -2.693 619 HB ILE 82 HB ILE 82 12.320 10.446 -5.692 620 HG12 ILE 82 HG12 ILE 82 13.426 8.635 -3.533 621 HG13 ILE 82 HG13 ILE 82 12.162 8.196 -4.677 622 HG21 ILE 82 HG21 ILE 82 14.676 10.885 -5.153 623 HG22 ILE 82 HG22 ILE 82 14.252 11.030 -3.447 624 HG23 ILE 82 HG23 ILE 82 13.626 12.194 -4.615 625 HD11 ILE 82 HD11 ILE 82 14.989 8.931 -5.400 626 HD12 ILE 82 HD12 ILE 82 13.723 8.420 -6.517 627 HD13 ILE 82 HD13 ILE 82 14.339 7.294 -5.307 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 -19.131 2.783 -4.229 2 H2 LEU 1 H2 LEU 1 -19.636 3.840 -3.104 3 H3 LEU 1 H3 LEU 1 -19.438 2.276 -2.714 4 HA LEU 1 HA LEU 1 -17.649 3.593 -1.851 5 HB2 LEU 1 HB2 LEU 1 -17.017 1.644 -4.059 6 HB3 LEU 1 HB3 LEU 1 -15.772 2.333 -3.040 7 HG LEU 1 HG LEU 1 -18.087 0.697 -2.053 8 HD11 LEU 1 HD11 LEU 1 -16.610 -0.647 -3.443 9 HD12 LEU 1 HD12 LEU 1 -16.456 -1.100 -1.746 10 HD13 LEU 1 HD13 LEU 1 -15.219 -0.099 -2.509 11 HD21 LEU 1 HD21 LEU 1 -16.786 0.571 0.024 12 HD22 LEU 1 HD22 LEU 1 -17.225 2.228 -0.379 13 HD23 LEU 1 HD23 LEU 1 -15.586 1.656 -0.677 14 HA PRO 2 HA PRO 2 -15.802 6.880 -4.294 15 HB2 PRO 2 HB2 PRO 2 -13.133 5.749 -3.627 16 HB3 PRO 2 HB3 PRO 2 -13.775 7.369 -3.333 17 HG2 PRO 2 HG2 PRO 2 -13.498 5.662 -1.326 18 HG3 PRO 2 HG3 PRO 2 -14.944 6.701 -1.432 19 HD2 PRO 2 HD2 PRO 2 -14.628 3.807 -2.180 20 HD3 PRO 2 HD3 PRO 2 -15.943 4.587 -1.278 21 H ARG 3 H ARG 3 -13.301 6.772 -5.657 22 HA ARG 3 HA ARG 3 -14.184 5.374 -8.014 23 HB2 ARG 3 HB2 ARG 3 -13.129 7.605 -8.145 24 HB3 ARG 3 HB3 ARG 3 -11.632 6.922 -7.525 25 HG2 ARG 3 HG2 ARG 3 -11.901 5.307 -9.582 26 HG3 ARG 3 HG3 ARG 3 -12.883 6.633 -10.206 27 HD2 ARG 3 HD2 ARG 3 -10.026 6.812 -9.267 28 HD3 ARG 3 HD3 ARG 3 -10.571 6.834 -10.940 29 HE ARG 3 HE ARG 3 -11.717 8.962 -10.372 30 HH11 ARG 3 HH11 ARG 3 -9.073 7.857 -8.344 31 HH12 ARG 3 HH12 ARG 3 -8.573 9.469 -7.921 32 HH21 ARG 3 HH21 ARG 3 -11.068 11.067 -9.802 33 HH22 ARG 3 HH22 ARG 3 -9.706 11.296 -8.749 34 H ASP 4 H ASP 4 -11.480 5.087 -5.749 35 HA ASP 4 HA ASP 4 -10.451 2.826 -7.337 36 HB2 ASP 4 HB2 ASP 4 -8.971 4.757 -5.556 37 HB3 ASP 4 HB3 ASP 4 -8.239 3.413 -6.421 38 H THR 5 H THR 5 -12.315 2.934 -4.822 39 HA THR 5 HA THR 5 -10.651 1.658 -2.839 40 HB THR 5 HB THR 5 -13.636 2.119 -2.864 41 HG1 THR 5 HG1 THR 5 -11.534 3.470 -1.482 42 HG21 THR 5 HG21 THR 5 -13.079 0.282 -1.383 43 HG22 THR 5 HG22 THR 5 -13.462 1.711 -0.425 44 HG23 THR 5 HG23 THR 5 -11.782 1.224 -0.654 45 H SER 6 H SER 6 -13.297 0.664 -4.984 46 HA SER 6 HA SER 6 -13.196 -2.081 -4.240 47 HB2 SER 6 HB2 SER 6 -15.156 -1.016 -5.312 48 HB3 SER 6 HB3 SER 6 -14.229 -0.841 -6.798 49 HG SER 6 HG SER 6 -15.214 -3.171 -5.563 50 H ARG 7 H ARG 7 -11.399 -0.039 -6.298 51 HA ARG 7 HA ARG 7 -10.052 -2.045 -7.817 52 HB2 ARG 7 HB2 ARG 7 -10.020 0.087 -8.783 53 HB3 ARG 7 HB3 ARG 7 -9.656 0.876 -7.258 54 HG2 ARG 7 HG2 ARG 7 -7.419 -0.579 -7.559 55 HG3 ARG 7 HG3 ARG 7 -7.846 -0.317 -9.251 56 HD2 ARG 7 HD2 ARG 7 -7.948 2.080 -8.865 57 HD3 ARG 7 HD3 ARG 7 -7.597 1.829 -7.154 58 HE ARG 7 HE ARG 7 -5.524 0.676 -8.571 59 HH11 ARG 7 HH11 ARG 7 -6.894 3.890 -8.293 60 HH12 ARG 7 HH12 ARG 7 -5.355 4.690 -8.417 61 HH21 ARG 7 HH21 ARG 7 -3.503 1.740 -8.759 62 HH22 ARG 7 HH22 ARG 7 -3.439 3.470 -8.696 63 H CYS 8 H CYS 8 -9.168 -0.066 -4.998 64 HA CYS 8 HA CYS 8 -6.524 -1.046 -4.880 65 HB2 CYS 8 HB2 CYS 8 -7.718 1.100 -3.826 66 HB3 CYS 8 HB3 CYS 8 -7.788 0.031 -2.434 67 H VAL 9 H VAL 9 -9.501 -2.062 -3.351 68 HA VAL 9 HA VAL 9 -8.546 -3.433 -1.158 69 HB VAL 9 HB VAL 9 -10.898 -3.026 -1.461 70 HG11 VAL 9 HG11 VAL 9 -12.243 -4.232 -3.090 71 HG12 VAL 9 HG12 VAL 9 -10.791 -5.006 -3.724 72 HG13 VAL 9 HG13 VAL 9 -10.996 -3.259 -3.876 73 HG21 VAL 9 HG21 VAL 9 -10.317 -5.986 -1.377 74 HG22 VAL 9 HG22 VAL 9 -11.825 -5.227 -0.869 75 HG23 VAL 9 HG23 VAL 9 -10.328 -4.879 -0.004 76 H GLY 10 H GLY 10 -8.585 -4.478 -4.520 77 HA2 GLY 10 HA2 GLY 10 -7.691 -7.150 -3.771 78 HA3 GLY 10 HA3 GLY 10 -8.008 -6.577 -5.401 79 H TYR 11 H TYR 11 -6.329 -4.130 -4.676 80 HA TYR 11 HA TYR 11 -3.853 -5.326 -5.629 81 HB2 TYR 11 HB2 TYR 11 -4.880 -2.503 -5.575 82 HB3 TYR 11 HB3 TYR 11 -3.220 -2.898 -6.000 83 HD1 TYR 11 HD1 TYR 11 -3.304 -5.142 -7.697 84 HD2 TYR 11 HD2 TYR 11 -6.111 -1.972 -7.426 85 HE1 TYR 11 HE1 TYR 11 -3.997 -5.574 -10.007 86 HE2 TYR 11 HE2 TYR 11 -6.821 -2.383 -9.737 87 HH TYR 11 HH TYR 11 -5.865 -5.194 -11.478 88 H HIS 12 H HIS 12 -4.641 -2.684 -3.333 89 HA HIS 12 HA HIS 12 -2.116 -3.333 -1.945 90 HB2 HIS 12 HB2 HIS 12 -3.236 -0.559 -1.866 91 HB3 HIS 12 HB3 HIS 12 -1.571 -1.091 -1.697 92 HD1 HIS 12 HD1 HIS 12 -3.508 0.798 -3.865 93 HD2 HIS 12 HD2 HIS 12 -0.768 -2.258 -4.478 94 HE1 HIS 12 HE1 HIS 12 -2.739 1.053 -6.244 95 HE2 HIS 12 HE2 HIS 12 -0.901 -0.650 -6.505 96 H GLY 13 H GLY 13 -5.190 -3.839 -1.530 97 HA2 GLY 13 HA2 GLY 13 -5.992 -4.600 0.585 98 HA3 GLY 13 HA3 GLY 13 -4.984 -3.391 1.365 99 H TYR 14 H TYR 14 -7.030 -2.997 2.557 100 HA TYR 14 HA TYR 14 -9.222 -1.861 1.027 101 HB2 TYR 14 HB2 TYR 14 -10.363 -1.781 3.268 102 HB3 TYR 14 HB3 TYR 14 -9.884 -3.387 2.733 103 HD1 TYR 14 HD1 TYR 14 -8.675 -4.755 4.173 104 HD2 TYR 14 HD2 TYR 14 -8.727 -0.564 4.867 105 HE1 TYR 14 HE1 TYR 14 -7.494 -5.098 6.303 106 HE2 TYR 14 HE2 TYR 14 -7.545 -0.891 6.995 107 HH TYR 14 HH TYR 14 -7.241 -2.697 8.660 108 H CYS 15 H CYS 15 -10.348 0.085 2.295 109 HA CYS 15 HA CYS 15 -8.246 2.149 2.393 110 HB2 CYS 15 HB2 CYS 15 -11.053 2.421 1.310 111 HB3 CYS 15 HB3 CYS 15 -9.813 3.667 1.309 112 H ILE 16 H ILE 16 -8.131 2.217 4.661 113 HA ILE 16 HA ILE 16 -10.543 3.115 6.059 114 HB ILE 16 HB ILE 16 -9.269 2.939 8.137 115 HG12 ILE 16 HG12 ILE 16 -7.019 1.986 6.358 116 HG13 ILE 16 HG13 ILE 16 -7.029 3.436 7.349 117 HG21 ILE 16 HG21 ILE 16 -9.025 0.475 8.145 118 HG22 ILE 16 HG22 ILE 16 -9.233 0.495 6.394 119 HG23 ILE 16 HG23 ILE 16 -10.539 1.044 7.443 120 HD11 ILE 16 HD11 ILE 16 -7.084 2.086 9.362 121 HD12 ILE 16 HD12 ILE 16 -5.705 1.652 8.352 122 HD13 ILE 16 HD13 ILE 16 -7.131 0.615 8.392 123 H ARG 17 H ARG 17 -9.564 4.848 7.936 124 HA ARG 17 HA ARG 17 -9.156 7.146 6.242 125 HB2 ARG 17 HB2 ARG 17 -10.700 7.286 8.135 126 HB3 ARG 17 HB3 ARG 17 -9.382 6.952 9.251 127 HG2 ARG 17 HG2 ARG 17 -8.266 9.036 8.354 128 HG3 ARG 17 HG3 ARG 17 -9.801 9.398 7.560 129 HD2 ARG 17 HD2 ARG 17 -9.697 10.564 9.667 130 HD3 ARG 17 HD3 ARG 17 -10.919 9.297 9.761 131 HE ARG 17 HE ARG 17 -8.492 8.255 10.686 132 HH11 ARG 17 HH11 ARG 17 -10.879 10.632 11.616 133 HH12 ARG 17 HH12 ARG 17 -10.581 10.457 13.315 134 HH21 ARG 17 HH21 ARG 17 -8.098 8.013 12.917 135 HH22 ARG 17 HH22 ARG 17 -9.006 8.956 14.054 136 H SER 18 H SER 18 -7.270 5.419 8.724 137 HA SER 18 HA SER 18 -5.071 7.289 8.185 138 HB2 SER 18 HB2 SER 18 -6.066 6.383 10.889 139 HB3 SER 18 HB3 SER 18 -4.595 7.318 10.624 140 HG SER 18 HG SER 18 -6.137 8.813 9.458 141 H LYS 19 H LYS 19 -3.022 6.513 9.309 142 HA LYS 19 HA LYS 19 -2.370 4.027 8.046 143 HB2 LYS 19 HB2 LYS 19 -0.775 6.060 9.597 144 HB3 LYS 19 HB3 LYS 19 -0.068 4.640 8.847 145 HG2 LYS 19 HG2 LYS 19 0.272 6.537 7.478 146 HG3 LYS 19 HG3 LYS 19 -0.815 5.449 6.651 147 HD2 LYS 19 HD2 LYS 19 -1.564 7.705 6.313 148 HD3 LYS 19 HD3 LYS 19 -2.695 6.908 7.405 149 HE2 LYS 19 HE2 LYS 19 -1.740 8.012 9.301 150 HE3 LYS 19 HE3 LYS 19 -0.428 8.665 8.323 151 HZ1 LYS 19 HZ1 LYS 19 -2.044 9.976 7.150 152 HZ2 LYS 19 HZ2 LYS 19 -2.141 10.290 8.742 153 HZ3 LYS 19 HZ3 LYS 19 -3.264 9.358 8.031 154 H VAL 20 H VAL 20 -4.018 4.164 10.512 155 HA VAL 20 HA VAL 20 -2.483 2.940 12.628 156 HB VAL 20 HB VAL 20 -5.476 2.871 12.568 157 HG11 VAL 20 HG11 VAL 20 -4.299 1.825 14.425 158 HG12 VAL 20 HG12 VAL 20 -5.214 3.233 14.971 159 HG13 VAL 20 HG13 VAL 20 -3.466 3.341 14.764 160 HG21 VAL 20 HG21 VAL 20 -4.955 5.108 11.807 161 HG22 VAL 20 HG22 VAL 20 -3.821 5.323 13.143 162 HG23 VAL 20 HG23 VAL 20 -5.546 5.158 13.470 163 H CYS 21 H CYS 21 -2.418 1.559 10.134 164 HA CYS 21 HA CYS 21 -4.208 -0.561 9.877 165 HB2 CYS 21 HB2 CYS 21 -1.293 -0.537 9.096 166 HB3 CYS 21 HB3 CYS 21 -2.573 -1.511 8.380 167 HA PRO 22 HA PRO 22 -2.975 -3.274 13.221 168 HB2 PRO 22 HB2 PRO 22 -4.456 -5.400 12.445 169 HB3 PRO 22 HB3 PRO 22 -5.175 -3.972 13.200 170 HG2 PRO 22 HG2 PRO 22 -5.026 -4.711 10.301 171 HG3 PRO 22 HG3 PRO 22 -6.395 -4.055 11.219 172 HD2 PRO 22 HD2 PRO 22 -4.824 -2.521 9.637 173 HD3 PRO 22 HD3 PRO 22 -5.598 -1.900 11.106 174 H LYS 23 H LYS 23 -2.459 -5.851 13.140 175 HA LYS 23 HA LYS 23 -0.489 -6.167 10.976 176 HB2 LYS 23 HB2 LYS 23 -0.432 -7.048 13.849 177 HB3 LYS 23 HB3 LYS 23 0.575 -7.834 12.646 178 HG2 LYS 23 HG2 LYS 23 1.906 -6.205 13.740 179 HG3 LYS 23 HG3 LYS 23 1.556 -5.595 12.125 180 HD2 LYS 23 HD2 LYS 23 -0.124 -4.115 12.987 181 HD3 LYS 23 HD3 LYS 23 0.023 -4.816 14.599 182 HE2 LYS 23 HE2 LYS 23 1.188 -2.686 14.479 183 HE3 LYS 23 HE3 LYS 23 2.329 -4.004 14.740 184 HZ1 LYS 23 HZ1 LYS 23 3.100 -2.450 13.084 185 HZ2 LYS 23 HZ2 LYS 23 1.796 -2.720 12.159 186 HZ3 LYS 23 HZ3 LYS 23 2.866 -3.914 12.411 187 HA PRO 24 HA PRO 24 0.633 -7.393 10.047 188 HB2 PRO 24 HB2 PRO 24 1.001 -8.935 7.903 189 HB3 PRO 24 HB3 PRO 24 1.358 -9.544 9.524 190 HG2 PRO 24 HG2 PRO 24 -1.006 -10.072 7.779 191 HG3 PRO 24 HG3 PRO 24 -0.124 -11.184 8.837 192 HD2 PRO 24 HD2 PRO 24 -2.513 -9.893 9.478 193 HD3 PRO 24 HD3 PRO 24 -1.395 -10.619 10.647 194 H PHE 25 H PHE 25 -0.224 -5.415 9.365 195 HA PHE 25 HA PHE 25 -1.086 -5.353 6.576 196 HB2 PHE 25 HB2 PHE 25 -2.583 -4.077 8.871 197 HB3 PHE 25 HB3 PHE 25 -2.760 -3.523 7.212 198 HD1 PHE 25 HD1 PHE 25 -4.247 -4.563 5.778 199 HD2 PHE 25 HD2 PHE 25 -3.119 -6.505 9.389 200 HE1 PHE 25 HE1 PHE 25 -5.951 -6.285 5.379 201 HE2 PHE 25 HE2 PHE 25 -4.830 -8.233 8.996 202 HZ PHE 25 HZ PHE 25 -6.237 -8.118 6.981 203 H ALA 26 H ALA 26 -0.605 -3.396 5.511 204 HA ALA 26 HA ALA 26 1.097 -1.551 7.055 205 HB1 ALA 26 HB1 ALA 26 1.719 -2.428 4.243 206 HB2 ALA 26 HB2 ALA 26 2.447 -3.155 5.674 207 HB3 ALA 26 HB3 ALA 26 2.720 -1.448 5.315 208 H ALA 27 H ALA 27 0.756 0.553 6.698 209 HA ALA 27 HA ALA 27 -1.375 1.518 5.154 210 HB1 ALA 27 HB1 ALA 27 -0.568 2.748 7.061 211 HB2 ALA 27 HB2 ALA 27 -0.357 3.740 5.618 212 HB3 ALA 27 HB3 ALA 27 1.027 2.913 6.330 213 H PHE 28 H PHE 28 -1.274 0.971 3.017 214 HA PHE 28 HA PHE 28 1.181 1.624 1.563 215 HB2 PHE 28 HB2 PHE 28 -0.828 -0.469 1.326 216 HB3 PHE 28 HB3 PHE 28 -0.533 0.340 -0.204 217 HD1 PHE 28 HD1 PHE 28 2.181 0.905 -0.381 218 HD2 PHE 28 HD2 PHE 28 0.314 -2.414 1.502 219 HE1 PHE 28 HE1 PHE 28 4.226 -0.425 -0.704 220 HE2 PHE 28 HE2 PHE 28 2.346 -3.750 1.188 221 HZ PHE 28 HZ PHE 28 4.310 -2.754 0.085 222 H GLY 29 H GLY 29 0.844 3.816 1.521 223 HA2 GLY 29 HA2 GLY 29 0.141 5.783 0.608 224 HA3 GLY 29 HA3 GLY 29 -0.177 4.821 -0.818 225 H THR 30 H THR 30 -2.010 5.554 -1.542 226 HA THR 30 HA THR 30 -4.361 5.372 0.171 227 HB THR 30 HB THR 30 -5.160 7.583 -0.694 228 HG1 THR 30 HG1 THR 30 -4.002 8.260 -2.362 229 HG21 THR 30 HG21 THR 30 -3.627 8.976 0.721 230 HG22 THR 30 HG22 THR 30 -2.595 7.557 0.898 231 HG23 THR 30 HG23 THR 30 -4.244 7.533 1.525 232 H CYS 31 H CYS 31 -6.164 4.686 -0.961 233 HA CYS 31 HA CYS 31 -5.691 3.591 -3.547 234 HB2 CYS 31 HB2 CYS 31 -8.121 2.949 -3.381 235 HB3 CYS 31 HB3 CYS 31 -7.077 2.339 -2.103 236 H SER 32 H SER 32 -8.342 5.729 -2.513 237 HA SER 32 HA SER 32 -8.424 6.732 -5.271 238 HB2 SER 32 HB2 SER 32 -10.431 5.505 -4.180 239 HB3 SER 32 HB3 SER 32 -10.657 6.989 -3.257 240 HG SER 32 HG SER 32 -10.365 7.159 -6.044 241 H TRP 33 H TRP 33 -9.582 7.985 -2.165 242 HA TRP 33 HA TRP 33 -8.394 10.571 -2.780 243 HB2 TRP 33 HB2 TRP 33 -9.897 9.992 -0.251 244 HB3 TRP 33 HB3 TRP 33 -9.815 11.485 -1.176 245 HD1 TRP 33 HD1 TRP 33 -12.384 9.444 -0.182 246 HE1 TRP 33 HE1 TRP 33 -14.242 9.092 -1.915 247 HE3 TRP 33 HE3 TRP 33 -9.863 10.891 -4.403 248 HZ2 TRP 33 HZ2 TRP 33 -14.601 9.369 -4.686 249 HZ3 TRP 33 HZ3 TRP 33 -11.055 10.806 -6.558 250 HH2 TRP 33 HH2 TRP 33 -13.366 10.062 -6.690 251 H ARG 34 H ARG 34 -6.915 11.570 -1.325 252 HA ARG 34 HA ARG 34 -4.994 9.731 -0.299 253 HB2 ARG 34 HB2 ARG 34 -4.351 11.842 -1.363 254 HB3 ARG 34 HB3 ARG 34 -5.124 12.740 -0.065 255 HG2 ARG 34 HG2 ARG 34 -3.020 10.780 0.644 256 HG3 ARG 34 HG3 ARG 34 -2.542 12.288 -0.106 257 HD2 ARG 34 HD2 ARG 34 -3.570 13.559 1.646 258 HD3 ARG 34 HD3 ARG 34 -4.268 12.098 2.348 259 HE ARG 34 HE ARG 34 -1.700 11.491 2.481 260 HH11 ARG 34 HH11 ARG 34 -3.300 14.501 3.272 261 HH12 ARG 34 HH12 ARG 34 -2.114 14.971 4.448 262 HH21 ARG 34 HH21 ARG 34 -0.132 12.103 4.015 263 HH22 ARG 34 HH22 ARG 34 -0.307 13.604 4.869 264 H GLN 35 H GLN 35 -7.533 11.617 1.026 265 HA GLN 35 HA GLN 35 -6.937 11.625 3.735 266 HB2 GLN 35 HB2 GLN 35 -9.404 11.708 4.080 267 HB3 GLN 35 HB3 GLN 35 -8.797 12.886 2.924 268 HG2 GLN 35 HG2 GLN 35 -9.525 11.493 1.090 269 HG3 GLN 35 HG3 GLN 35 -10.074 10.255 2.217 270 HE21 GLN 35 HE21 GLN 35 -11.117 12.238 4.099 271 HE22 GLN 35 HE22 GLN 35 -12.577 12.841 3.403 272 H LYS 36 H LYS 36 -7.591 8.899 1.782 273 HA LYS 36 HA LYS 36 -7.936 7.286 4.212 274 HB2 LYS 36 HB2 LYS 36 -9.207 5.643 2.734 275 HB3 LYS 36 HB3 LYS 36 -10.042 7.108 3.213 276 HG2 LYS 36 HG2 LYS 36 -9.014 7.923 0.870 277 HG3 LYS 36 HG3 LYS 36 -9.173 6.192 0.551 278 HD2 LYS 36 HD2 LYS 36 -11.403 7.902 1.639 279 HD3 LYS 36 HD3 LYS 36 -11.175 7.581 -0.080 280 HE2 LYS 36 HE2 LYS 36 -11.880 5.433 0.089 281 HE3 LYS 36 HE3 LYS 36 -11.229 5.233 1.714 282 HZ1 LYS 36 HZ1 LYS 36 -13.615 5.222 1.742 283 HZ2 LYS 36 HZ2 LYS 36 -13.692 6.676 1.023 284 HZ3 LYS 36 HZ3 LYS 36 -13.084 6.549 2.525 285 H THR 37 H THR 37 -6.560 5.739 4.537 286 HA THR 37 HA THR 37 -4.334 5.393 2.722 287 HB THR 37 HB THR 37 -4.806 4.135 5.436 288 HG1 THR 37 HG1 THR 37 -4.205 6.715 4.734 289 HG21 THR 37 HG21 THR 37 -2.380 3.890 5.508 290 HG22 THR 37 HG22 THR 37 -2.242 4.648 3.919 291 HG23 THR 37 HG23 THR 37 -3.032 3.080 4.083 292 H CYS 38 H CYS 38 -3.685 3.387 1.835 293 HA CYS 38 HA CYS 38 -5.847 1.407 1.651 294 HB2 CYS 38 HB2 CYS 38 -4.683 2.507 -0.383 295 HB3 CYS 38 HB3 CYS 38 -3.331 1.450 -0.000 296 H CYS 39 H CYS 39 -5.662 -0.180 3.150 297 HA CYS 39 HA CYS 39 -2.943 -0.944 3.993 298 HB2 CYS 39 HB2 CYS 39 -5.546 -1.167 5.511 299 HB3 CYS 39 HB3 CYS 39 -3.970 -1.672 6.110 300 H VAL 40 H VAL 40 -2.303 -2.755 3.070 301 HA VAL 40 HA VAL 40 -4.249 -4.912 2.626 302 HB VAL 40 HB VAL 40 -2.766 -4.027 0.728 303 HG11 VAL 40 HG11 VAL 40 -0.689 -3.942 2.011 304 HG12 VAL 40 HG12 VAL 40 -0.535 -4.909 0.547 305 HG13 VAL 40 HG13 VAL 40 -0.686 -5.702 2.116 306 HG21 VAL 40 HG21 VAL 40 -4.050 -6.039 0.483 307 HG22 VAL 40 HG22 VAL 40 -2.849 -6.966 1.384 308 HG23 VAL 40 HG23 VAL 40 -2.446 -6.303 -0.205 309 H ASP 41 H ASP 41 -3.731 -7.062 3.292 310 HA ASP 41 HA ASP 41 -2.293 -7.290 5.693 311 HB2 ASP 41 HB2 ASP 41 -2.794 -9.692 5.394 312 HB3 ASP 41 HB3 ASP 41 -4.206 -8.682 5.271 313 H THR 42 H THR 42 -0.198 -6.685 5.401 314 HA THR 42 HA THR 42 1.282 -7.545 3.106 315 HB THR 42 HB THR 42 3.178 -6.383 4.490 316 HG1 THR 42 HG1 THR 42 2.447 -5.959 6.442 317 HG21 THR 42 HG21 THR 42 2.472 -4.227 3.659 318 HG22 THR 42 HG22 THR 42 0.802 -4.776 3.541 319 HG23 THR 42 HG23 THR 42 2.034 -5.465 2.484 320 H THR 43 H THR 43 1.060 -9.842 3.492 321 HA THR 43 HA THR 43 3.245 -10.769 5.212 322 HB THR 43 HB THR 43 1.254 -11.860 5.918 323 HG1 THR 43 HG1 THR 43 3.147 -13.210 5.637 324 HG21 THR 43 HG21 THR 43 0.768 -12.780 3.088 325 HG22 THR 43 HG22 THR 43 -0.073 -11.436 3.857 326 HG23 THR 43 HG23 THR 43 -0.254 -13.069 4.495 327 H SER 44 H SER 44 1.686 -11.581 2.085 328 HA SER 44 HA SER 44 4.298 -12.366 1.030 329 HB2 SER 44 HB2 SER 44 1.582 -12.629 -0.245 330 HB3 SER 44 HB3 SER 44 3.076 -13.382 -0.794 331 HG SER 44 HG SER 44 1.841 -14.856 0.398 332 H ASP 45 H ASP 45 1.557 -10.287 0.147 333 HA ASP 45 HA ASP 45 2.719 -9.507 -2.334 334 HB2 ASP 45 HB2 ASP 45 0.263 -8.482 -0.908 335 HB3 ASP 45 HB3 ASP 45 0.712 -8.064 -2.556 336 H PHE 46 H PHE 46 3.365 -8.391 0.691 337 HA PHE 46 HA PHE 46 3.003 -5.681 0.709 338 HB2 PHE 46 HB2 PHE 46 4.781 -5.567 2.369 339 HB3 PHE 46 HB3 PHE 46 3.619 -6.857 2.676 340 HD1 PHE 46 HD1 PHE 46 4.238 -9.153 2.053 341 HD2 PHE 46 HD2 PHE 46 7.029 -5.990 2.081 342 HE1 PHE 46 HE1 PHE 46 6.067 -10.798 2.111 343 HE2 PHE 46 HE2 PHE 46 8.892 -7.598 2.147 344 HZ PHE 46 HZ PHE 46 8.413 -10.020 2.159 345 H HIS 47 H HIS 47 5.289 -7.334 -1.181 346 HA HIS 47 HA HIS 47 7.316 -5.428 -1.432 347 HB2 HIS 47 HB2 HIS 47 6.344 -7.430 -3.462 348 HB3 HIS 47 HB3 HIS 47 7.791 -6.446 -3.634 349 HD1 HIS 47 HD1 HIS 47 9.857 -7.101 -2.250 350 HD2 HIS 47 HD2 HIS 47 6.552 -9.542 -1.602 351 HE1 HIS 47 HE1 HIS 47 10.718 -9.085 -0.969 352 HE2 HIS 47 HE2 HIS 47 8.742 -10.631 -0.757 353 H THR 48 H THR 48 4.178 -4.902 -2.104 354 HA THR 48 HA THR 48 3.853 -3.654 -4.503 355 HB THR 48 HB THR 48 2.757 -2.582 -1.927 356 HG1 THR 48 HG1 THR 48 1.736 -4.764 -3.446 357 HG21 THR 48 HG21 THR 48 2.207 -1.303 -3.932 358 HG22 THR 48 HG22 THR 48 0.779 -2.103 -3.277 359 HG23 THR 48 HG23 THR 48 1.587 -2.767 -4.699 360 H CYS 49 H CYS 49 6.114 -2.624 -2.193 361 HA CYS 49 HA CYS 49 6.303 0.077 -2.220 362 HB2 CYS 49 HB2 CYS 49 8.019 -1.579 -1.349 363 HB3 CYS 49 HB3 CYS 49 8.623 -1.693 -2.996 364 H GLN 50 H GLN 50 7.363 -2.053 -4.825 365 HA GLN 50 HA GLN 50 8.271 -0.348 -6.728 366 HB2 GLN 50 HB2 GLN 50 7.575 -2.056 -8.351 367 HB3 GLN 50 HB3 GLN 50 8.297 -2.770 -6.920 368 HG2 GLN 50 HG2 GLN 50 5.879 -3.015 -6.082 369 HG3 GLN 50 HG3 GLN 50 5.429 -2.746 -7.760 370 HE21 GLN 50 HE21 GLN 50 6.852 -4.889 -5.488 371 HE22 GLN 50 HE22 GLN 50 6.958 -6.259 -6.544 372 H ASP 51 H ASP 51 4.853 -1.043 -6.054 373 HA ASP 51 HA ASP 51 3.939 0.339 -8.403 374 HB2 ASP 51 HB2 ASP 51 2.744 -1.604 -7.373 375 HB3 ASP 51 HB3 ASP 51 2.321 -0.567 -6.016 376 H LYS 52 H LYS 52 4.415 1.077 -5.047 377 HA LYS 52 HA LYS 52 3.005 3.580 -5.089 378 HB2 LYS 52 HB2 LYS 52 4.828 2.208 -3.163 379 HB3 LYS 52 HB3 LYS 52 4.547 3.930 -2.976 380 HG2 LYS 52 HG2 LYS 52 2.013 2.875 -3.289 381 HG3 LYS 52 HG3 LYS 52 2.861 1.686 -2.298 382 HD2 LYS 52 HD2 LYS 52 1.777 3.353 -0.887 383 HD3 LYS 52 HD3 LYS 52 3.533 3.477 -0.748 384 HE2 LYS 52 HE2 LYS 52 3.566 5.380 -2.227 385 HE3 LYS 52 HE3 LYS 52 1.840 5.211 -2.551 386 HZ1 LYS 52 HZ1 LYS 52 3.184 6.291 -0.232 387 HZ2 LYS 52 HZ2 LYS 52 1.790 5.496 0.031 388 HZ3 LYS 52 HZ3 LYS 52 1.807 6.783 -0.960 389 H GLY 53 H GLY 53 5.819 2.603 -6.504 390 HA2 GLY 53 HA2 GLY 53 7.387 3.929 -7.632 391 HA3 GLY 53 HA3 GLY 53 6.799 5.331 -6.740 392 H GLY 54 H GLY 54 7.705 2.280 -5.290 393 HA2 GLY 54 HA2 GLY 54 9.164 3.237 -3.200 394 HA3 GLY 54 HA3 GLY 54 9.455 1.659 -3.928 395 H HIS 55 H HIS 55 10.963 4.302 -2.953 396 HA HIS 55 HA HIS 55 12.543 4.872 -5.325 397 HB2 HIS 55 HB2 HIS 55 12.458 6.127 -2.580 398 HB3 HIS 55 HB3 HIS 55 13.611 6.606 -3.820 399 HD1 HIS 55 HD1 HIS 55 12.837 8.308 -5.483 400 HD2 HIS 55 HD2 HIS 55 9.689 6.659 -3.329 401 HE1 HIS 55 HE1 HIS 55 10.809 9.658 -6.109 402 HE2 HIS 55 HE2 HIS 55 8.893 8.533 -4.924 403 H CYS 56 H CYS 56 14.881 4.891 -5.234 404 HA CYS 56 HA CYS 56 15.918 2.838 -3.411 405 HB2 CYS 56 HB2 CYS 56 16.456 3.254 -6.343 406 HB3 CYS 56 HB3 CYS 56 17.540 2.320 -5.316 407 H VAL 57 H VAL 57 17.397 3.547 -2.099 408 HA VAL 57 HA VAL 57 19.068 5.807 -2.959 409 HB VAL 57 HB VAL 57 19.058 6.665 -0.668 410 HG11 VAL 57 HG11 VAL 57 16.282 6.266 -1.763 411 HG12 VAL 57 HG12 VAL 57 17.422 7.522 -2.245 412 HG13 VAL 57 HG13 VAL 57 16.769 7.506 -0.606 413 HG21 VAL 57 HG21 VAL 57 18.705 4.609 0.567 414 HG22 VAL 57 HG22 VAL 57 17.076 4.466 -0.093 415 HG23 VAL 57 HG23 VAL 57 17.471 5.793 0.999 416 H SER 58 H SER 58 21.174 5.665 -2.566 417 HA SER 58 HA SER 58 22.301 3.123 -1.981 418 HB2 SER 58 HB2 SER 58 24.432 4.270 -2.396 419 HB3 SER 58 HB3 SER 58 23.253 4.732 -3.610 420 HG SER 58 HG SER 58 23.455 6.709 -2.994 421 HA PRO 59 HA PRO 59 22.881 3.150 2.329 422 HB2 PRO 59 HB2 PRO 59 25.538 2.564 2.689 423 HB3 PRO 59 HB3 PRO 59 24.303 1.381 2.240 424 HG2 PRO 59 HG2 PRO 59 26.231 2.854 0.485 425 HG3 PRO 59 HG3 PRO 59 25.784 1.138 0.460 426 HD2 PRO 59 HD2 PRO 59 24.727 2.841 -1.294 427 HD3 PRO 59 HD3 PRO 59 23.739 1.559 -0.572 428 H LYS 60 H LYS 60 24.546 5.497 0.529 429 HA LYS 60 HA LYS 60 25.485 6.856 2.950 430 HB2 LYS 60 HB2 LYS 60 26.647 8.391 1.340 431 HB3 LYS 60 HB3 LYS 60 27.184 6.725 1.301 432 HG2 LYS 60 HG2 LYS 60 27.092 7.337 -0.935 433 HG3 LYS 60 HG3 LYS 60 25.601 6.435 -0.681 434 HD2 LYS 60 HD2 LYS 60 25.065 8.364 -1.977 435 HD3 LYS 60 HD3 LYS 60 24.432 8.628 -0.352 436 HE2 LYS 60 HE2 LYS 60 25.478 10.651 -1.152 437 HE3 LYS 60 HE3 LYS 60 26.426 9.981 0.173 438 HZ1 LYS 60 HZ1 LYS 60 27.055 9.700 -2.678 439 HZ2 LYS 60 HZ2 LYS 60 27.928 9.069 -1.462 440 HZ3 LYS 60 HZ3 LYS 60 27.823 10.683 -1.631 441 H ILE 61 H ILE 61 22.797 6.727 1.068 442 HA ILE 61 HA ILE 61 22.127 9.540 1.101 443 HB ILE 61 HB ILE 61 20.348 7.162 0.565 444 HG12 ILE 61 HG12 ILE 61 22.368 7.499 -0.956 445 HG13 ILE 61 HG13 ILE 61 20.796 7.382 -1.738 446 HG21 ILE 61 HG21 ILE 61 19.966 10.094 -0.025 447 HG22 ILE 61 HG22 ILE 61 19.079 9.134 1.159 448 HG23 ILE 61 HG23 ILE 61 18.893 8.802 -0.563 449 HD11 ILE 61 HD11 ILE 61 22.124 9.100 -2.763 450 HD12 ILE 61 HD12 ILE 61 22.361 9.894 -1.206 451 HD13 ILE 61 HD13 ILE 61 20.753 9.828 -1.930 452 H ARG 62 H ARG 62 20.902 10.570 2.577 453 HA ARG 62 HA ARG 62 19.968 8.981 4.861 454 HB2 ARG 62 HB2 ARG 62 20.813 11.853 4.631 455 HB3 ARG 62 HB3 ARG 62 19.763 11.340 5.940 456 HG2 ARG 62 HG2 ARG 62 21.960 11.315 6.791 457 HG3 ARG 62 HG3 ARG 62 21.509 9.631 6.534 458 HD2 ARG 62 HD2 ARG 62 22.750 9.631 4.420 459 HD3 ARG 62 HD3 ARG 62 23.212 11.310 4.698 460 HE ARG 62 HE ARG 62 23.935 9.554 6.853 461 HH11 ARG 62 HH11 ARG 62 24.942 10.789 3.738 462 HH12 ARG 62 HH12 ARG 62 26.630 10.538 4.046 463 HH21 ARG 62 HH21 ARG 62 26.148 9.217 7.256 464 HH22 ARG 62 HH22 ARG 62 27.316 9.648 6.049 465 H CYS 63 H CYS 63 18.102 8.290 4.012 466 HA CYS 63 HA CYS 63 15.972 10.265 3.611 467 HB2 CYS 63 HB2 CYS 63 16.641 9.543 1.400 468 HB3 CYS 63 HB3 CYS 63 16.621 7.859 1.897 469 H LEU 64 H LEU 64 13.811 9.397 4.129 470 HA LEU 64 HA LEU 64 13.846 7.506 6.256 471 HB2 LEU 64 HB2 LEU 64 11.689 8.843 4.698 472 HB3 LEU 64 HB3 LEU 64 11.288 7.487 5.733 473 HG LEU 64 HG LEU 64 12.389 8.741 7.628 474 HD11 LEU 64 HD11 LEU 64 12.231 11.041 5.691 475 HD12 LEU 64 HD12 LEU 64 13.712 10.287 6.285 476 HD13 LEU 64 HD13 LEU 64 12.648 11.145 7.402 477 HD21 LEU 64 HD21 LEU 64 10.450 10.150 8.016 478 HD22 LEU 64 HD22 LEU 64 9.984 8.579 7.366 479 HD23 LEU 64 HD23 LEU 64 9.993 9.998 6.320 480 H GLU 65 H GLU 65 14.894 5.759 5.444 481 HA GLU 65 HA GLU 65 13.974 4.494 3.024 482 HB2 GLU 65 HB2 GLU 65 15.939 3.137 3.137 483 HB3 GLU 65 HB3 GLU 65 16.395 4.794 3.495 484 HG2 GLU 65 HG2 GLU 65 15.908 2.718 5.612 485 HG3 GLU 65 HG3 GLU 65 17.485 3.022 4.895 486 H GLU 66 H GLU 66 13.936 2.080 2.994 487 HA GLU 66 HA GLU 66 13.211 0.056 3.633 488 HB2 GLU 66 HB2 GLU 66 13.113 1.238 6.398 489 HB3 GLU 66 HB3 GLU 66 12.729 -0.441 6.028 490 HG2 GLU 66 HG2 GLU 66 14.941 -0.773 5.127 491 HG3 GLU 66 HG3 GLU 66 15.323 0.916 5.419 492 H GLN 67 H GLN 67 11.590 1.252 2.248 493 HA GLN 67 HA GLN 67 8.950 1.329 3.392 494 HB2 GLN 67 HB2 GLN 67 9.542 2.468 1.247 495 HB3 GLN 67 HB3 GLN 67 9.727 0.889 0.499 496 HG2 GLN 67 HG2 GLN 67 7.425 0.420 0.684 497 HG3 GLN 67 HG3 GLN 67 7.160 1.757 1.800 498 HE21 GLN 67 HE21 GLN 67 5.873 1.132 -0.761 499 HE22 GLN 67 HE22 GLN 67 6.104 2.524 -1.754 500 H LEU 68 H LEU 68 9.826 -0.905 0.768 501 HA LEU 68 HA LEU 68 9.557 -3.202 2.566 502 HB2 LEU 68 HB2 LEU 68 7.900 -2.865 0.066 503 HB3 LEU 68 HB3 LEU 68 8.182 -4.412 0.818 504 HG LEU 68 HG LEU 68 6.061 -3.826 1.517 505 HD11 LEU 68 HD11 LEU 68 6.164 -3.433 3.891 506 HD12 LEU 68 HD12 LEU 68 7.815 -2.834 3.749 507 HD13 LEU 68 HD13 LEU 68 7.458 -4.525 3.400 508 HD21 LEU 68 HD21 LEU 68 7.033 -1.047 2.102 509 HD22 LEU 68 HD22 LEU 68 5.381 -1.643 2.275 510 HD23 LEU 68 HD23 LEU 68 6.125 -1.551 0.676 511 H GLY 69 H GLY 69 11.364 -4.357 2.243 512 HA2 GLY 69 HA2 GLY 69 12.464 -6.025 1.058 513 HA3 GLY 69 HA3 GLY 69 11.694 -5.460 -0.411 514 H LEU 70 H LEU 70 13.815 -5.946 -1.263 515 HA LEU 70 HA LEU 70 15.895 -3.975 -0.630 516 HB2 LEU 70 HB2 LEU 70 16.497 -6.340 -0.372 517 HB3 LEU 70 HB3 LEU 70 16.052 -6.643 -2.039 518 HG LEU 70 HG LEU 70 17.889 -5.128 -2.760 519 HD11 LEU 70 HD11 LEU 70 19.609 -4.526 -1.115 520 HD12 LEU 70 HD12 LEU 70 18.576 -5.141 0.174 521 HD13 LEU 70 HD13 LEU 70 18.064 -3.746 -0.776 522 HD21 LEU 70 HD21 LEU 70 18.199 -7.547 -2.663 523 HD22 LEU 70 HD22 LEU 70 18.716 -7.416 -0.981 524 HD23 LEU 70 HD23 LEU 70 19.688 -6.691 -2.261 525 H CYS 71 H CYS 71 17.068 -3.019 -2.331 526 HA CYS 71 HA CYS 71 15.459 -2.428 -4.675 527 HB2 CYS 71 HB2 CYS 71 17.729 -1.118 -3.264 528 HB3 CYS 71 HB3 CYS 71 17.538 -0.797 -4.985 529 HA PRO 72 HA PRO 72 17.709 -4.441 -8.000 530 HB2 PRO 72 HB2 PRO 72 18.754 -1.687 -8.570 531 HB3 PRO 72 HB3 PRO 72 18.152 -2.915 -9.697 532 HG2 PRO 72 HG2 PRO 72 16.623 -0.853 -8.921 533 HG3 PRO 72 HG3 PRO 72 15.942 -2.460 -9.222 534 HD2 PRO 72 HD2 PRO 72 16.313 -1.031 -6.677 535 HD3 PRO 72 HD3 PRO 72 15.233 -2.384 -7.063 536 H LEU 73 H LEU 73 19.691 -1.742 -6.675 537 HA LEU 73 HA LEU 73 22.095 -3.297 -6.771 538 HB2 LEU 73 HB2 LEU 73 21.506 -0.741 -5.294 539 HB3 LEU 73 HB3 LEU 73 23.079 -1.483 -5.383 540 HG LEU 73 HG LEU 73 23.290 0.143 -6.958 541 HD11 LEU 73 HD11 LEU 73 23.770 -2.012 -7.978 542 HD12 LEU 73 HD12 LEU 73 23.217 -0.821 -9.156 543 HD13 LEU 73 HD13 LEU 73 22.119 -2.083 -8.596 544 HD21 LEU 73 HD21 LEU 73 21.161 1.142 -6.882 545 HD22 LEU 73 HD22 LEU 73 20.392 -0.261 -7.631 546 HD23 LEU 73 HD23 LEU 73 21.476 0.761 -8.576 547 H LYS 74 H LYS 74 23.394 -3.675 -4.789 548 HA LYS 74 HA LYS 74 21.710 -5.413 -3.195 549 HB2 LYS 74 HB2 LYS 74 23.811 -6.201 -4.308 550 HB3 LYS 74 HB3 LYS 74 24.723 -5.203 -3.180 551 HG2 LYS 74 HG2 LYS 74 24.671 -7.528 -2.461 552 HG3 LYS 74 HG3 LYS 74 23.824 -6.492 -1.309 553 HD2 LYS 74 HD2 LYS 74 21.683 -7.135 -2.346 554 HD3 LYS 74 HD3 LYS 74 22.552 -8.209 -3.440 555 HE2 LYS 74 HE2 LYS 74 23.355 -9.496 -1.521 556 HE3 LYS 74 HE3 LYS 74 22.486 -8.416 -0.433 557 HZ1 LYS 74 HZ1 LYS 74 21.180 -10.018 -2.511 558 HZ2 LYS 74 HZ2 LYS 74 20.452 -9.159 -1.338 559 HZ3 LYS 74 HZ3 LYS 74 21.305 -10.484 -0.957 560 H ARG 75 H ARG 75 23.901 -2.717 -2.675 561 HA ARG 75 HA ARG 75 23.476 -2.882 0.203 562 HB2 ARG 75 HB2 ARG 75 25.097 -0.857 0.120 563 HB3 ARG 75 HB3 ARG 75 25.705 -2.490 -0.119 564 HG2 ARG 75 HG2 ARG 75 25.597 -2.117 -2.559 565 HG3 ARG 75 HG3 ARG 75 25.119 -0.445 -2.245 566 HD2 ARG 75 HD2 ARG 75 27.173 0.020 -1.163 567 HD3 ARG 75 HD3 ARG 75 27.619 -1.686 -1.145 568 HE ARG 75 HE ARG 75 27.431 -1.274 -3.754 569 HH11 ARG 75 HH11 ARG 75 28.941 0.701 -1.287 570 HH12 ARG 75 HH12 ARG 75 30.145 1.341 -2.357 571 HH21 ARG 75 HH21 ARG 75 29.027 -0.444 -5.163 572 HH22 ARG 75 HH22 ARG 75 30.201 0.684 -4.560 573 H TRP 76 H TRP 76 21.625 -1.780 -2.074 574 HA TRP 76 HA TRP 76 21.090 0.838 -0.880 575 HB2 TRP 76 HB2 TRP 76 20.016 -0.468 -3.380 576 HB3 TRP 76 HB3 TRP 76 19.491 1.095 -2.770 577 HD1 TRP 76 HD1 TRP 76 23.129 -0.178 -3.131 578 HE1 TRP 76 HE1 TRP 76 24.381 1.443 -4.667 579 HE3 TRP 76 HE3 TRP 76 19.285 2.971 -4.271 580 HZ2 TRP 76 HZ2 TRP 76 23.808 3.758 -6.168 581 HZ3 TRP 76 HZ3 TRP 76 19.720 4.888 -5.736 582 HH2 TRP 76 HH2 TRP 76 21.944 5.280 -6.651 583 H THR 77 H THR 77 18.913 1.400 -0.343 584 HA THR 77 HA THR 77 17.345 -0.925 0.561 585 HB THR 77 HB THR 77 17.377 1.771 1.914 586 HG1 THR 77 HG1 THR 77 19.163 -0.400 2.136 587 HG21 THR 77 HG21 THR 77 16.537 0.476 3.824 588 HG22 THR 77 HG22 THR 77 16.575 -0.988 2.842 589 HG23 THR 77 HG23 THR 77 15.478 0.327 2.422 590 H CYS 78 H CYS 78 15.188 -0.944 0.040 591 HA CYS 78 HA CYS 78 14.110 0.954 -1.771 592 HB2 CYS 78 HB2 CYS 78 13.194 -1.307 -1.730 593 HB3 CYS 78 HB3 CYS 78 12.734 -1.122 -0.039 594 H CYS 79 H CYS 79 13.706 2.987 -1.227 595 HA CYS 79 HA CYS 79 13.213 3.585 1.586 596 HB2 CYS 79 HB2 CYS 79 15.034 4.798 0.822 597 HB3 CYS 79 HB3 CYS 79 14.277 5.187 -0.718 598 H LYS 80 H LYS 80 11.553 4.835 2.298 599 HA LYS 80 HA LYS 80 9.157 4.460 0.714 600 HB2 LYS 80 HB2 LYS 80 9.580 3.949 3.249 601 HB3 LYS 80 HB3 LYS 80 9.262 5.660 3.465 602 HG2 LYS 80 HG2 LYS 80 7.350 3.766 2.129 603 HG3 LYS 80 HG3 LYS 80 7.318 4.142 3.849 604 HD2 LYS 80 HD2 LYS 80 7.172 6.599 3.084 605 HD3 LYS 80 HD3 LYS 80 6.728 5.923 1.510 606 HE2 LYS 80 HE2 LYS 80 4.870 4.748 2.499 607 HE3 LYS 80 HE3 LYS 80 5.335 5.304 4.107 608 HZ1 LYS 80 HZ1 LYS 80 4.460 7.021 1.891 609 HZ2 LYS 80 HZ2 LYS 80 4.911 7.550 3.365 610 HZ3 LYS 80 HZ3 LYS 80 3.575 6.640 3.208 611 H GLU 81 H GLU 81 9.307 6.001 -0.838 612 HA GLU 81 HA GLU 81 9.005 8.000 -1.858 613 HB2 GLU 81 HB2 GLU 81 7.255 8.378 0.561 614 HB3 GLU 81 HB3 GLU 81 7.190 9.366 -0.893 615 HG2 GLU 81 HG2 GLU 81 6.556 7.453 -2.222 616 HG3 GLU 81 HG3 GLU 81 6.732 6.399 -0.817 617 H ILE 82 H ILE 82 10.962 8.969 -1.860 618 HA ILE 82 HA ILE 82 12.111 10.398 0.287 619 HB ILE 82 HB ILE 82 12.609 10.904 -2.652 620 HG12 ILE 82 HG12 ILE 82 13.978 8.906 -0.831 621 HG13 ILE 82 HG13 ILE 82 12.849 8.497 -2.119 622 HG21 ILE 82 HG21 ILE 82 14.820 11.629 -1.879 623 HG22 ILE 82 HG22 ILE 82 14.334 11.326 -0.212 624 HG23 ILE 82 HG23 ILE 82 13.531 12.585 -1.149 625 HD11 ILE 82 HD11 ILE 82 15.143 8.143 -2.824 626 HD12 ILE 82 HD12 ILE 82 15.526 9.828 -2.471 627 HD13 ILE 82 HD13 ILE 82 14.394 9.432 -3.764 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 -18.710 2.800 -2.915 2 H2 LEU 1 H2 LEU 1 -18.405 1.270 -2.462 3 H3 LEU 1 H3 LEU 1 -18.032 1.759 -3.966 4 HA LEU 1 HA LEU 1 -16.803 2.766 -1.518 5 HB2 LEU 1 HB2 LEU 1 -15.789 0.873 -3.625 6 HB3 LEU 1 HB3 LEU 1 -14.750 1.647 -2.454 7 HG LEU 1 HG LEU 1 -17.018 -0.175 -1.769 8 HD11 LEU 1 HD11 LEU 1 -14.072 -0.754 -1.882 9 HD12 LEU 1 HD12 LEU 1 -15.302 -1.404 -2.964 10 HD13 LEU 1 HD13 LEU 1 -15.306 -1.847 -1.256 11 HD21 LEU 1 HD21 LEU 1 -16.517 1.375 0.012 12 HD22 LEU 1 HD22 LEU 1 -14.805 0.973 -0.092 13 HD23 LEU 1 HD23 LEU 1 -15.963 -0.240 0.452 14 HA PRO 2 HA PRO 2 -15.256 6.258 -3.743 15 HB2 PRO 2 HB2 PRO 2 -12.552 5.448 -2.798 16 HB3 PRO 2 HB3 PRO 2 -13.389 6.995 -2.625 17 HG2 PRO 2 HG2 PRO 2 -13.192 5.384 -0.543 18 HG3 PRO 2 HG3 PRO 2 -14.739 6.205 -0.872 19 HD2 PRO 2 HD2 PRO 2 -13.930 3.376 -1.469 20 HD3 PRO 2 HD3 PRO 2 -15.451 3.979 -0.782 21 H ARG 3 H ARG 3 -13.567 6.945 -5.295 22 HA ARG 3 HA ARG 3 -13.876 5.633 -7.645 23 HB2 ARG 3 HB2 ARG 3 -13.165 7.939 -7.480 24 HB3 ARG 3 HB3 ARG 3 -11.616 7.446 -6.815 25 HG2 ARG 3 HG2 ARG 3 -11.062 6.353 -8.937 26 HG3 ARG 3 HG3 ARG 3 -12.612 6.882 -9.600 27 HD2 ARG 3 HD2 ARG 3 -11.982 9.201 -9.281 28 HD3 ARG 3 HD3 ARG 3 -10.466 8.711 -8.535 29 HE ARG 3 HE ARG 3 -10.945 7.806 -11.261 30 HH11 ARG 3 HH11 ARG 3 -9.395 10.097 -9.113 31 HH12 ARG 3 HH12 ARG 3 -8.216 10.595 -10.283 32 HH21 ARG 3 HH21 ARG 3 -9.390 8.460 -12.811 33 HH22 ARG 3 HH22 ARG 3 -8.213 9.663 -12.387 34 H ASP 4 H ASP 4 -10.998 5.343 -5.548 35 HA ASP 4 HA ASP 4 -9.987 3.299 -7.421 36 HB2 ASP 4 HB2 ASP 4 -8.500 5.046 -5.466 37 HB3 ASP 4 HB3 ASP 4 -7.754 3.743 -6.385 38 H THR 5 H THR 5 -11.663 3.271 -4.672 39 HA THR 5 HA THR 5 -9.972 1.724 -2.975 40 HB THR 5 HB THR 5 -12.959 2.149 -2.864 41 HG1 THR 5 HG1 THR 5 -10.892 3.312 -1.285 42 HG21 THR 5 HG21 THR 5 -11.084 1.075 -0.747 43 HG22 THR 5 HG22 THR 5 -12.249 0.115 -1.658 44 HG23 THR 5 HG23 THR 5 -12.814 1.373 -0.561 45 H SER 6 H SER 6 -12.604 0.899 -5.216 46 HA SER 6 HA SER 6 -12.692 -1.841 -4.516 47 HB2 SER 6 HB2 SER 6 -14.516 -0.651 -5.690 48 HB3 SER 6 HB3 SER 6 -13.506 -0.564 -7.129 49 HG SER 6 HG SER 6 -13.512 -2.837 -7.200 50 H ARG 7 H ARG 7 -10.703 0.025 -6.669 51 HA ARG 7 HA ARG 7 -9.441 -2.199 -7.944 52 HB2 ARG 7 HB2 ARG 7 -9.342 -0.051 -9.027 53 HB3 ARG 7 HB3 ARG 7 -8.640 0.698 -7.601 54 HG2 ARG 7 HG2 ARG 7 -6.997 -1.485 -8.500 55 HG3 ARG 7 HG3 ARG 7 -7.292 -0.346 -9.814 56 HD2 ARG 7 HD2 ARG 7 -6.306 0.416 -7.068 57 HD3 ARG 7 HD3 ARG 7 -5.258 0.128 -8.453 58 HE ARG 7 HE ARG 7 -7.333 2.205 -8.600 59 HH11 ARG 7 HH11 ARG 7 -3.960 1.256 -8.692 60 HH12 ARG 7 HH12 ARG 7 -3.394 2.839 -9.113 61 HH21 ARG 7 HH21 ARG 7 -6.580 4.312 -9.128 62 HH22 ARG 7 HH22 ARG 7 -4.874 4.568 -9.369 63 H CYS 8 H CYS 8 -8.614 -0.048 -5.273 64 HA CYS 8 HA CYS 8 -6.037 -1.069 -4.823 65 HB2 CYS 8 HB2 CYS 8 -7.296 1.110 -3.975 66 HB3 CYS 8 HB3 CYS 8 -7.577 0.090 -2.579 67 H VAL 9 H VAL 9 -9.166 -1.845 -3.370 68 HA VAL 9 HA VAL 9 -8.328 -3.181 -1.111 69 HB VAL 9 HB VAL 9 -10.647 -2.565 -1.485 70 HG11 VAL 9 HG11 VAL 9 -10.696 -4.783 -3.519 71 HG12 VAL 9 HG12 VAL 9 -10.812 -3.052 -3.846 72 HG13 VAL 9 HG13 VAL 9 -12.098 -3.871 -2.954 73 HG21 VAL 9 HG21 VAL 9 -10.296 -5.530 -1.058 74 HG22 VAL 9 HG22 VAL 9 -11.732 -4.597 -0.634 75 HG23 VAL 9 HG23 VAL 9 -10.200 -4.273 0.176 76 H GLY 10 H GLY 10 -8.479 -4.398 -4.394 77 HA2 GLY 10 HA2 GLY 10 -7.872 -7.107 -3.556 78 HA3 GLY 10 HA3 GLY 10 -8.033 -6.536 -5.211 79 H TYR 11 H TYR 11 -6.141 -4.282 -4.653 80 HA TYR 11 HA TYR 11 -3.777 -5.865 -5.290 81 HB2 TYR 11 HB2 TYR 11 -4.441 -2.950 -5.664 82 HB3 TYR 11 HB3 TYR 11 -2.853 -3.625 -5.999 83 HD1 TYR 11 HD1 TYR 11 -3.326 -6.097 -7.314 84 HD2 TYR 11 HD2 TYR 11 -5.505 -2.467 -7.653 85 HE1 TYR 11 HE1 TYR 11 -4.062 -6.758 -9.551 86 HE2 TYR 11 HE2 TYR 11 -6.255 -3.117 -9.902 87 HH TYR 11 HH TYR 11 -5.993 -6.240 -11.090 88 H HIS 12 H HIS 12 -4.300 -2.816 -3.494 89 HA HIS 12 HA HIS 12 -1.921 -3.517 -1.906 90 HB2 HIS 12 HB2 HIS 12 -2.944 -0.713 -1.976 91 HB3 HIS 12 HB3 HIS 12 -1.292 -1.300 -1.844 92 HD1 HIS 12 HD1 HIS 12 -3.293 0.508 -4.057 93 HD2 HIS 12 HD2 HIS 12 -0.577 -2.592 -4.561 94 HE1 HIS 12 HE1 HIS 12 -2.654 0.562 -6.487 95 HE2 HIS 12 HE2 HIS 12 -0.747 -1.088 -6.664 96 H GLY 13 H GLY 13 -5.017 -3.908 -1.596 97 HA2 GLY 13 HA2 GLY 13 -5.919 -4.606 0.498 98 HA3 GLY 13 HA3 GLY 13 -4.903 -3.412 1.294 99 H TYR 14 H TYR 14 -7.232 -3.254 2.262 100 HA TYR 14 HA TYR 14 -9.144 -1.820 0.635 101 HB2 TYR 14 HB2 TYR 14 -10.477 -1.783 2.781 102 HB3 TYR 14 HB3 TYR 14 -10.076 -3.384 2.170 103 HD1 TYR 14 HD1 TYR 14 -9.092 -0.834 4.665 104 HD2 TYR 14 HD2 TYR 14 -8.889 -4.913 3.502 105 HE1 TYR 14 HE1 TYR 14 -8.111 -1.396 6.848 106 HE2 TYR 14 HE2 TYR 14 -7.909 -5.493 5.680 107 HH TYR 14 HH TYR 14 -7.924 -3.380 8.312 108 H CYS 15 H CYS 15 -10.241 0.114 2.110 109 HA CYS 15 HA CYS 15 -7.965 1.934 2.533 110 HB2 CYS 15 HB2 CYS 15 -10.531 2.654 1.124 111 HB3 CYS 15 HB3 CYS 15 -9.093 3.651 1.304 112 H ILE 16 H ILE 16 -8.105 2.029 4.743 113 HA ILE 16 HA ILE 16 -10.646 2.805 5.955 114 HB ILE 16 HB ILE 16 -9.509 2.545 8.124 115 HG12 ILE 16 HG12 ILE 16 -7.153 1.716 6.425 116 HG13 ILE 16 HG13 ILE 16 -7.232 3.073 7.537 117 HG21 ILE 16 HG21 ILE 16 -10.733 0.692 7.244 118 HG22 ILE 16 HG22 ILE 16 -9.275 0.088 8.030 119 HG23 ILE 16 HG23 ILE 16 -9.354 0.188 6.271 120 HD11 ILE 16 HD11 ILE 16 -7.357 0.167 8.306 121 HD12 ILE 16 HD12 ILE 16 -7.422 1.537 9.413 122 HD13 ILE 16 HD13 ILE 16 -5.960 1.231 8.476 123 H ARG 17 H ARG 17 -10.022 4.444 7.966 124 HA ARG 17 HA ARG 17 -9.650 6.874 6.553 125 HB2 ARG 17 HB2 ARG 17 -11.176 6.659 8.470 126 HB3 ARG 17 HB3 ARG 17 -9.797 6.410 9.532 127 HG2 ARG 17 HG2 ARG 17 -8.971 8.646 8.977 128 HG3 ARG 17 HG3 ARG 17 -10.374 8.895 7.935 129 HD2 ARG 17 HD2 ARG 17 -10.458 8.358 10.899 130 HD3 ARG 17 HD3 ARG 17 -10.657 9.934 10.139 131 HE ARG 17 HE ARG 17 -12.592 8.532 8.949 132 HH11 ARG 17 HH11 ARG 17 -11.661 8.723 12.312 133 HH12 ARG 17 HH12 ARG 17 -13.276 8.509 12.908 134 HH21 ARG 17 HH21 ARG 17 -14.731 8.265 9.729 135 HH22 ARG 17 HH22 ARG 17 -15.023 8.253 11.439 136 H SER 18 H SER 18 -7.575 5.079 8.846 137 HA SER 18 HA SER 18 -5.454 7.000 8.228 138 HB2 SER 18 HB2 SER 18 -6.626 7.667 10.336 139 HB3 SER 18 HB3 SER 18 -6.134 6.141 11.038 140 HG SER 18 HG SER 18 -4.769 8.373 10.994 141 H LYS 19 H LYS 19 -3.495 6.154 9.792 142 HA LYS 19 HA LYS 19 -2.720 3.732 8.428 143 HB2 LYS 19 HB2 LYS 19 -1.055 5.253 10.415 144 HB3 LYS 19 HB3 LYS 19 -0.517 4.290 9.044 145 HG2 LYS 19 HG2 LYS 19 -0.247 6.293 8.094 146 HG3 LYS 19 HG3 LYS 19 -1.964 6.158 7.763 147 HD2 LYS 19 HD2 LYS 19 -2.350 7.346 9.960 148 HD3 LYS 19 HD3 LYS 19 -0.618 7.662 9.998 149 HE2 LYS 19 HE2 LYS 19 -2.524 8.536 7.833 150 HE3 LYS 19 HE3 LYS 19 -1.867 9.564 9.103 151 HZ1 LYS 19 HZ1 LYS 19 -0.310 8.232 7.005 152 HZ2 LYS 19 HZ2 LYS 19 0.321 9.144 8.193 153 HZ3 LYS 19 HZ3 LYS 19 -0.647 9.823 7.077 154 H VAL 20 H VAL 20 -4.624 3.951 10.795 155 HA VAL 20 HA VAL 20 -3.406 2.443 12.922 156 HB VAL 20 HB VAL 20 -6.375 2.590 12.488 157 HG11 VAL 20 HG11 VAL 20 -5.589 1.222 14.328 158 HG12 VAL 20 HG12 VAL 20 -6.412 2.657 14.941 159 HG13 VAL 20 HG13 VAL 20 -4.650 2.575 14.959 160 HG21 VAL 20 HG21 VAL 20 -5.512 4.842 12.112 161 HG22 VAL 20 HG22 VAL 20 -4.663 4.781 13.656 162 HG23 VAL 20 HG23 VAL 20 -6.426 4.748 13.615 163 H CYS 21 H CYS 21 -3.104 1.246 10.344 164 HA CYS 21 HA CYS 21 -4.867 -0.810 9.732 165 HB2 CYS 21 HB2 CYS 21 -1.869 -0.825 9.373 166 HB3 CYS 21 HB3 CYS 21 -3.051 -1.723 8.426 167 HA PRO 22 HA PRO 22 -4.164 -3.771 13.031 168 HB2 PRO 22 HB2 PRO 22 -5.352 -5.884 11.779 169 HB3 PRO 22 HB3 PRO 22 -6.258 -4.606 12.596 170 HG2 PRO 22 HG2 PRO 22 -5.690 -4.959 9.684 171 HG3 PRO 22 HG3 PRO 22 -7.186 -4.442 10.482 172 HD2 PRO 22 HD2 PRO 22 -5.483 -2.699 9.309 173 HD3 PRO 22 HD3 PRO 22 -6.451 -2.273 10.734 174 H LYS 23 H LYS 23 -3.467 -6.297 12.857 175 HA LYS 23 HA LYS 23 -1.173 -6.325 11.012 176 HB2 LYS 23 HB2 LYS 23 -1.327 -7.034 13.920 177 HB3 LYS 23 HB3 LYS 23 -0.140 -7.825 12.897 178 HG2 LYS 23 HG2 LYS 23 0.863 -5.947 14.030 179 HG3 LYS 23 HG3 LYS 23 0.790 -5.631 12.298 180 HD2 LYS 23 HD2 LYS 23 -1.271 -4.292 12.690 181 HD3 LYS 23 HD3 LYS 23 -1.041 -4.524 14.425 182 HE2 LYS 23 HE2 LYS 23 1.039 -3.341 14.370 183 HE3 LYS 23 HE3 LYS 23 1.010 -3.268 12.610 184 HZ1 LYS 23 HZ1 LYS 23 -0.936 -1.948 14.367 185 HZ2 LYS 23 HZ2 LYS 23 -0.888 -1.836 12.744 186 HZ3 LYS 23 HZ3 LYS 23 0.315 -1.201 13.637 187 HA PRO 24 HA PRO 24 0.201 -7.449 10.203 188 HB2 PRO 24 HB2 PRO 24 0.850 -8.874 8.051 189 HB3 PRO 24 HB3 PRO 24 1.140 -9.503 9.677 190 HG2 PRO 24 HG2 PRO 24 -1.024 -10.181 7.742 191 HG3 PRO 24 HG3 PRO 24 -0.139 -11.242 8.850 192 HD2 PRO 24 HD2 PRO 24 -2.673 -10.151 9.304 193 HD3 PRO 24 HD3 PRO 24 -1.610 -10.844 10.542 194 H PHE 25 H PHE 25 -0.703 -5.525 9.510 195 HA PHE 25 HA PHE 25 -1.328 -5.417 6.662 196 HB2 PHE 25 HB2 PHE 25 -3.076 -4.264 8.849 197 HB3 PHE 25 HB3 PHE 25 -3.144 -3.695 7.189 198 HD1 PHE 25 HD1 PHE 25 -4.545 -4.725 5.680 199 HD2 PHE 25 HD2 PHE 25 -3.475 -6.775 9.252 200 HE1 PHE 25 HE1 PHE 25 -6.152 -6.505 5.140 201 HE2 PHE 25 HE2 PHE 25 -5.088 -8.548 8.720 202 HZ PHE 25 HZ PHE 25 -6.418 -8.410 6.661 203 H ALA 26 H ALA 26 -0.769 -3.421 5.706 204 HA ALA 26 HA ALA 26 0.732 -1.624 7.496 205 HB1 ALA 26 HB1 ALA 26 2.223 -3.159 6.177 206 HB2 ALA 26 HB2 ALA 26 2.529 -1.436 5.964 207 HB3 ALA 26 HB3 ALA 26 1.657 -2.333 4.724 208 H ALA 27 H ALA 27 0.483 0.486 7.201 209 HA ALA 27 HA ALA 27 -1.481 1.609 5.556 210 HB1 ALA 27 HB1 ALA 27 -0.457 3.758 6.196 211 HB2 ALA 27 HB2 ALA 27 0.911 2.883 6.882 212 HB3 ALA 27 HB3 ALA 27 -0.697 2.690 7.579 213 H PHE 28 H PHE 28 -1.329 1.263 3.409 214 HA PHE 28 HA PHE 28 1.244 1.756 2.094 215 HB2 PHE 28 HB2 PHE 28 -0.796 -0.238 1.793 216 HB3 PHE 28 HB3 PHE 28 -0.646 0.645 0.290 217 HD1 PHE 28 HD1 PHE 28 1.909 1.088 -0.398 218 HD2 PHE 28 HD2 PHE 28 0.462 -2.096 2.021 219 HE1 PHE 28 HE1 PHE 28 3.890 -0.259 -0.984 220 HE2 PHE 28 HE2 PHE 28 2.422 -3.448 1.441 221 HZ PHE 28 HZ PHE 28 4.151 -2.526 -0.060 222 H GLY 29 H GLY 29 1.061 3.979 2.137 223 HA2 GLY 29 HA2 GLY 29 0.496 6.053 1.366 224 HA3 GLY 29 HA3 GLY 29 0.224 5.225 -0.154 225 H THR 30 H THR 30 -1.489 6.213 -0.900 226 HA THR 30 HA THR 30 -3.994 5.950 0.608 227 HB THR 30 HB THR 30 -4.729 8.127 -0.322 228 HG1 THR 30 HG1 THR 30 -3.597 8.709 -2.041 229 HG21 THR 30 HG21 THR 30 -3.213 9.607 1.002 230 HG22 THR 30 HG22 THR 30 -2.138 8.223 1.227 231 HG23 THR 30 HG23 THR 30 -3.773 8.188 1.890 232 H CYS 31 H CYS 31 -5.768 5.349 -0.693 233 HA CYS 31 HA CYS 31 -4.980 4.310 -3.299 234 HB2 CYS 31 HB2 CYS 31 -7.162 3.124 -3.232 235 HB3 CYS 31 HB3 CYS 31 -6.106 2.744 -1.876 236 H SER 32 H SER 32 -8.020 5.826 -2.187 237 HA SER 32 HA SER 32 -8.240 7.045 -4.849 238 HB2 SER 32 HB2 SER 32 -10.090 5.559 -3.912 239 HB3 SER 32 HB3 SER 32 -10.405 6.834 -2.744 240 HG SER 32 HG SER 32 -10.313 7.957 -5.140 241 H TRP 33 H TRP 33 -9.446 7.958 -1.642 242 HA TRP 33 HA TRP 33 -8.619 10.705 -2.121 243 HB2 TRP 33 HB2 TRP 33 -9.936 9.749 0.406 244 HB3 TRP 33 HB3 TRP 33 -10.043 11.323 -0.366 245 HD1 TRP 33 HD1 TRP 33 -12.374 8.980 0.503 246 HE1 TRP 33 HE1 TRP 33 -14.251 8.601 -1.210 247 HE3 TRP 33 HE3 TRP 33 -10.129 10.985 -3.643 248 HZ2 TRP 33 HZ2 TRP 33 -14.713 9.064 -3.938 249 HZ3 TRP 33 HZ3 TRP 33 -11.375 10.973 -5.765 250 HH2 TRP 33 HH2 TRP 33 -13.612 10.033 -5.907 251 H ARG 34 H ARG 34 -7.148 11.774 -0.793 252 HA ARG 34 HA ARG 34 -5.015 10.164 0.188 253 HB2 ARG 34 HB2 ARG 34 -4.542 12.283 -0.864 254 HB3 ARG 34 HB3 ARG 34 -5.536 13.137 0.303 255 HG2 ARG 34 HG2 ARG 34 -3.200 11.579 1.286 256 HG3 ARG 34 HG3 ARG 34 -2.931 13.121 0.490 257 HD2 ARG 34 HD2 ARG 34 -4.709 12.660 2.876 258 HD3 ARG 34 HD3 ARG 34 -3.096 13.373 2.922 259 HE ARG 34 HE ARG 34 -4.246 15.065 1.291 260 HH11 ARG 34 HH11 ARG 34 -5.585 13.615 4.185 261 HH12 ARG 34 HH12 ARG 34 -6.651 14.945 4.511 262 HH21 ARG 34 HH21 ARG 34 -5.635 16.825 1.725 263 HH22 ARG 34 HH22 ARG 34 -6.675 16.774 3.116 264 H GLN 35 H GLN 35 -7.736 11.734 1.591 265 HA GLN 35 HA GLN 35 -6.980 11.840 4.277 266 HB2 GLN 35 HB2 GLN 35 -9.416 11.837 4.747 267 HB3 GLN 35 HB3 GLN 35 -8.934 13.003 3.523 268 HG2 GLN 35 HG2 GLN 35 -9.675 11.457 1.780 269 HG3 GLN 35 HG3 GLN 35 -10.184 10.314 3.022 270 HE21 GLN 35 HE21 GLN 35 -11.994 10.783 4.272 271 HE22 GLN 35 HE22 GLN 35 -13.147 11.980 3.801 272 H LYS 36 H LYS 36 -7.613 9.094 2.365 273 HA LYS 36 HA LYS 36 -7.840 7.438 4.791 274 HB2 LYS 36 HB2 LYS 36 -8.933 5.735 3.253 275 HB3 LYS 36 HB3 LYS 36 -9.896 7.133 3.689 276 HG2 LYS 36 HG2 LYS 36 -8.962 8.100 1.450 277 HG3 LYS 36 HG3 LYS 36 -8.661 6.403 1.081 278 HD2 LYS 36 HD2 LYS 36 -11.313 7.648 1.790 279 HD3 LYS 36 HD3 LYS 36 -10.811 7.087 0.199 280 HE2 LYS 36 HE2 LYS 36 -12.027 5.287 0.868 281 HE3 LYS 36 HE3 LYS 36 -10.459 4.825 1.499 282 HZ1 LYS 36 HZ1 LYS 36 -11.150 5.680 3.636 283 HZ2 LYS 36 HZ2 LYS 36 -12.160 4.510 3.132 284 HZ3 LYS 36 HZ3 LYS 36 -12.616 6.069 3.046 285 H THR 37 H THR 37 -6.797 5.407 4.753 286 HA THR 37 HA THR 37 -4.353 5.443 3.112 287 HB THR 37 HB THR 37 -4.848 4.078 5.770 288 HG1 THR 37 HG1 THR 37 -4.745 6.554 5.530 289 HG21 THR 37 HG21 THR 37 -3.071 3.052 4.396 290 HG22 THR 37 HG22 THR 37 -2.432 3.807 5.855 291 HG23 THR 37 HG23 THR 37 -2.267 4.618 4.296 292 H CYS 38 H CYS 38 -3.671 3.542 2.064 293 HA CYS 38 HA CYS 38 -5.754 1.518 1.706 294 HB2 CYS 38 HB2 CYS 38 -4.535 2.628 -0.235 295 HB3 CYS 38 HB3 CYS 38 -3.100 1.749 0.270 296 H CYS 39 H CYS 39 -5.670 -0.267 2.957 297 HA CYS 39 HA CYS 39 -3.070 -0.981 4.145 298 HB2 CYS 39 HB2 CYS 39 -5.836 -1.150 5.341 299 HB3 CYS 39 HB3 CYS 39 -4.391 -1.813 6.093 300 H VAL 40 H VAL 40 -2.329 -2.788 3.286 301 HA VAL 40 HA VAL 40 -4.252 -4.894 2.553 302 HB VAL 40 HB VAL 40 -2.713 -4.008 0.765 303 HG11 VAL 40 HG11 VAL 40 -0.723 -3.728 2.117 304 HG12 VAL 40 HG12 VAL 40 -0.416 -4.749 0.714 305 HG13 VAL 40 HG13 VAL 40 -0.601 -5.475 2.310 306 HG21 VAL 40 HG21 VAL 40 -3.809 -6.114 0.457 307 HG22 VAL 40 HG22 VAL 40 -2.610 -6.938 1.455 308 HG23 VAL 40 HG23 VAL 40 -2.145 -6.265 -0.110 309 H ASP 41 H ASP 41 -3.959 -6.989 3.228 310 HA ASP 41 HA ASP 41 -2.618 -7.553 5.638 311 HB2 ASP 41 HB2 ASP 41 -4.466 -8.915 4.915 312 HB3 ASP 41 HB3 ASP 41 -3.643 -9.326 3.424 313 H THR 42 H THR 42 -0.503 -7.149 5.715 314 HA THR 42 HA THR 42 1.116 -7.563 3.336 315 HB THR 42 HB THR 42 2.841 -6.317 4.810 316 HG1 THR 42 HG1 THR 42 1.942 -6.450 6.814 317 HG21 THR 42 HG21 THR 42 1.538 -5.308 2.930 318 HG22 THR 42 HG22 THR 42 1.932 -4.171 4.215 319 HG23 THR 42 HG23 THR 42 0.305 -4.836 4.100 320 H THR 43 H THR 43 1.201 -9.923 3.535 321 HA THR 43 HA THR 43 3.317 -10.671 5.422 322 HB THR 43 HB THR 43 1.435 -12.024 5.932 323 HG1 THR 43 HG1 THR 43 3.134 -13.360 6.022 324 HG21 THR 43 HG21 THR 43 1.255 -12.868 3.042 325 HG22 THR 43 HG22 THR 43 0.204 -11.670 3.796 326 HG23 THR 43 HG23 THR 43 0.186 -13.342 4.361 327 H SER 44 H SER 44 2.100 -11.530 2.182 328 HA SER 44 HA SER 44 4.818 -12.190 1.351 329 HB2 SER 44 HB2 SER 44 3.629 -13.224 -0.602 330 HB3 SER 44 HB3 SER 44 3.207 -13.895 0.972 331 HG SER 44 HG SER 44 1.272 -13.558 0.098 332 H ASP 45 H ASP 45 2.004 -10.549 -0.037 333 HA ASP 45 HA ASP 45 3.499 -9.494 -2.221 334 HB2 ASP 45 HB2 ASP 45 1.086 -10.250 -2.260 335 HB3 ASP 45 HB3 ASP 45 0.690 -8.759 -1.417 336 H PHE 46 H PHE 46 3.199 -8.487 0.888 337 HA PHE 46 HA PHE 46 2.676 -5.806 0.942 338 HB2 PHE 46 HB2 PHE 46 3.773 -5.727 3.018 339 HB3 PHE 46 HB3 PHE 46 3.094 -7.336 2.844 340 HD1 PHE 46 HD1 PHE 46 5.958 -5.538 3.659 341 HD2 PHE 46 HD2 PHE 46 4.620 -9.100 1.847 342 HE1 PHE 46 HE1 PHE 46 8.159 -6.555 4.096 343 HE2 PHE 46 HE2 PHE 46 6.802 -10.165 2.268 344 HZ PHE 46 HZ PHE 46 8.590 -8.882 3.398 345 H HIS 47 H HIS 47 5.354 -7.286 -0.469 346 HA HIS 47 HA HIS 47 7.229 -5.193 -0.419 347 HB2 HIS 47 HB2 HIS 47 6.866 -7.620 -2.101 348 HB3 HIS 47 HB3 HIS 47 7.984 -6.375 -2.657 349 HD1 HIS 47 HD1 HIS 47 9.820 -5.655 -0.772 350 HD2 HIS 47 HD2 HIS 47 7.975 -9.349 -0.314 351 HE1 HIS 47 HE1 HIS 47 11.238 -6.918 0.865 352 HE2 HIS 47 HE2 HIS 47 10.232 -9.226 0.948 353 H THR 48 H THR 48 4.273 -4.930 -1.582 354 HA THR 48 HA THR 48 4.140 -4.140 -4.175 355 HB THR 48 HB THR 48 2.761 -2.847 -1.846 356 HG1 THR 48 HG1 THR 48 2.705 -5.372 -2.648 357 HG21 THR 48 HG21 THR 48 1.852 -3.136 -4.703 358 HG22 THR 48 HG22 THR 48 2.404 -1.642 -3.945 359 HG23 THR 48 HG23 THR 48 0.925 -2.422 -3.381 360 H CYS 49 H CYS 49 6.166 -2.536 -2.009 361 HA CYS 49 HA CYS 49 5.738 0.136 -2.258 362 HB2 CYS 49 HB2 CYS 49 8.054 0.512 -1.785 363 HB3 CYS 49 HB3 CYS 49 7.529 -0.910 -0.898 364 H GLN 50 H GLN 50 7.502 -1.825 -4.707 365 HA GLN 50 HA GLN 50 8.236 0.379 -6.297 366 HB2 GLN 50 HB2 GLN 50 8.841 -1.172 -7.994 367 HB3 GLN 50 HB3 GLN 50 9.257 -1.896 -6.463 368 HG2 GLN 50 HG2 GLN 50 6.789 -2.540 -8.059 369 HG3 GLN 50 HG3 GLN 50 8.277 -3.482 -8.078 370 HE21 GLN 50 HE21 GLN 50 8.844 -3.275 -5.301 371 HE22 GLN 50 HE22 GLN 50 7.651 -4.194 -4.442 372 H ASP 51 H ASP 51 5.292 -1.478 -6.118 373 HA ASP 51 HA ASP 51 4.168 -0.616 -8.591 374 HB2 ASP 51 HB2 ASP 51 3.360 -2.615 -7.345 375 HB3 ASP 51 HB3 ASP 51 2.758 -1.559 -6.074 376 H LYS 52 H LYS 52 4.190 0.559 -5.317 377 HA LYS 52 HA LYS 52 2.294 2.666 -5.707 378 HB2 LYS 52 HB2 LYS 52 4.293 2.045 -3.547 379 HB3 LYS 52 HB3 LYS 52 3.268 3.470 -3.500 380 HG2 LYS 52 HG2 LYS 52 2.230 0.653 -3.667 381 HG3 LYS 52 HG3 LYS 52 2.443 1.548 -2.165 382 HD2 LYS 52 HD2 LYS 52 0.615 2.250 -4.457 383 HD3 LYS 52 HD3 LYS 52 0.143 1.724 -2.841 384 HE2 LYS 52 HE2 LYS 52 1.505 4.311 -3.590 385 HE3 LYS 52 HE3 LYS 52 -0.142 4.109 -3.002 386 HZ1 LYS 52 HZ1 LYS 52 2.241 3.434 -1.443 387 HZ2 LYS 52 HZ2 LYS 52 0.706 3.457 -0.909 388 HZ3 LYS 52 HZ3 LYS 52 1.445 4.845 -1.320 389 H GLY 53 H GLY 53 5.623 2.248 -6.351 390 HA2 GLY 53 HA2 GLY 53 6.634 3.990 -7.795 391 HA3 GLY 53 HA3 GLY 53 5.974 5.165 -6.664 392 H GLY 54 H GLY 54 7.668 2.109 -6.136 393 HA2 GLY 54 HA2 GLY 54 9.254 3.344 -4.063 394 HA3 GLY 54 HA3 GLY 54 9.224 1.638 -4.481 395 H HIS 55 H HIS 55 11.176 4.139 -4.289 396 HA HIS 55 HA HIS 55 12.698 3.570 -6.735 397 HB2 HIS 55 HB2 HIS 55 12.839 5.824 -4.730 398 HB3 HIS 55 HB3 HIS 55 14.039 5.596 -5.997 399 HD1 HIS 55 HD1 HIS 55 13.468 6.477 -8.295 400 HD2 HIS 55 HD2 HIS 55 10.214 6.477 -5.711 401 HE1 HIS 55 HE1 HIS 55 11.659 7.745 -9.489 402 HE2 HIS 55 HE2 HIS 55 9.789 7.923 -7.806 403 H CYS 56 H CYS 56 15.172 3.695 -6.308 404 HA CYS 56 HA CYS 56 15.788 2.165 -3.876 405 HB2 CYS 56 HB2 CYS 56 16.670 1.646 -6.707 406 HB3 CYS 56 HB3 CYS 56 17.593 1.049 -5.332 407 H VAL 57 H VAL 57 17.090 3.284 -2.633 408 HA VAL 57 HA VAL 57 19.020 5.079 -3.941 409 HB VAL 57 HB VAL 57 18.866 6.587 -2.058 410 HG11 VAL 57 HG11 VAL 57 16.139 5.895 -3.115 411 HG12 VAL 57 HG12 VAL 57 17.339 6.903 -3.922 412 HG13 VAL 57 HG13 VAL 57 16.616 7.436 -2.401 413 HG21 VAL 57 HG21 VAL 57 17.152 6.281 -0.307 414 HG22 VAL 57 HG22 VAL 57 18.419 5.056 -0.260 415 HG23 VAL 57 HG23 VAL 57 16.838 4.664 -0.937 416 H SER 58 H SER 58 21.043 5.109 -3.255 417 HA SER 58 HA SER 58 22.019 2.828 -1.867 418 HB2 SER 58 HB2 SER 58 24.179 4.362 -2.275 419 HB3 SER 58 HB3 SER 58 23.449 3.417 -3.555 420 HG SER 58 HG SER 58 23.641 5.438 -4.359 421 HA PRO 59 HA PRO 59 22.559 4.349 2.256 422 HB2 PRO 59 HB2 PRO 59 25.292 3.939 2.623 423 HB3 PRO 59 HB3 PRO 59 24.025 2.746 2.909 424 HG2 PRO 59 HG2 PRO 59 25.823 3.075 0.558 425 HG3 PRO 59 HG3 PRO 59 25.191 1.592 1.294 426 HD2 PRO 59 HD2 PRO 59 24.201 2.572 -1.006 427 HD3 PRO 59 HD3 PRO 59 23.170 1.751 0.183 428 H LYS 60 H LYS 60 24.460 5.592 -0.340 429 HA LYS 60 HA LYS 60 25.531 7.811 1.178 430 HB2 LYS 60 HB2 LYS 60 25.615 7.191 -1.777 431 HB3 LYS 60 HB3 LYS 60 26.444 8.540 -1.014 432 HG2 LYS 60 HG2 LYS 60 26.949 5.617 -0.487 433 HG3 LYS 60 HG3 LYS 60 27.968 6.700 -1.434 434 HD2 LYS 60 HD2 LYS 60 27.374 6.921 1.516 435 HD3 LYS 60 HD3 LYS 60 28.893 6.400 0.791 436 HE2 LYS 60 HE2 LYS 60 27.636 9.130 0.549 437 HE3 LYS 60 HE3 LYS 60 29.039 8.714 1.526 438 HZ1 LYS 60 HZ1 LYS 60 29.758 9.681 -0.492 439 HZ2 LYS 60 HZ2 LYS 60 28.875 8.665 -1.399 440 HZ3 LYS 60 HZ3 LYS 60 30.146 8.101 -0.556 441 H ILE 61 H ILE 61 22.607 7.128 -0.387 442 HA ILE 61 HA ILE 61 22.066 9.826 -1.281 443 HB ILE 61 HB ILE 61 20.156 7.505 -0.962 444 HG12 ILE 61 HG12 ILE 61 22.071 7.070 -2.489 445 HG13 ILE 61 HG13 ILE 61 20.502 7.008 -3.280 446 HG21 ILE 61 HG21 ILE 61 19.904 10.040 -2.572 447 HG22 ILE 61 HG22 ILE 61 19.041 9.671 -1.080 448 HG23 ILE 61 HG23 ILE 61 18.736 8.720 -2.533 449 HD11 ILE 61 HD11 ILE 61 20.898 9.271 -4.151 450 HD12 ILE 61 HD12 ILE 61 22.111 8.104 -4.681 451 HD13 ILE 61 HD13 ILE 61 22.495 9.254 -3.400 452 H ARG 62 H ARG 62 20.734 11.286 -0.288 453 HA ARG 62 HA ARG 62 19.912 10.590 2.443 454 HB2 ARG 62 HB2 ARG 62 20.570 13.274 1.229 455 HB3 ARG 62 HB3 ARG 62 19.749 13.110 2.776 456 HG2 ARG 62 HG2 ARG 62 21.962 13.394 3.379 457 HG3 ARG 62 HG3 ARG 62 21.755 11.644 3.439 458 HD2 ARG 62 HD2 ARG 62 23.843 12.155 2.353 459 HD3 ARG 62 HD3 ARG 62 22.719 11.494 1.165 460 HE ARG 62 HE ARG 62 22.637 14.348 1.247 461 HH11 ARG 62 HH11 ARG 62 24.450 11.625 -0.019 462 HH12 ARG 62 HH12 ARG 62 25.105 12.527 -1.347 463 HH21 ARG 62 HH21 ARG 62 23.485 15.523 -0.503 464 HH22 ARG 62 HH22 ARG 62 24.552 14.745 -1.629 465 H CYS 63 H CYS 63 18.044 9.622 1.928 466 HA CYS 63 HA CYS 63 15.872 11.348 0.961 467 HB2 CYS 63 HB2 CYS 63 16.511 9.857 -0.875 468 HB3 CYS 63 HB3 CYS 63 16.399 8.465 0.194 469 H LEU 64 H LEU 64 13.794 10.827 1.840 470 HA LEU 64 HA LEU 64 13.909 9.472 4.391 471 HB2 LEU 64 HB2 LEU 64 11.609 10.642 2.816 472 HB3 LEU 64 HB3 LEU 64 11.410 9.867 4.373 473 HG LEU 64 HG LEU 64 11.390 12.194 4.780 474 HD11 LEU 64 HD11 LEU 64 13.313 12.555 6.204 475 HD12 LEU 64 HD12 LEU 64 14.171 11.231 5.415 476 HD13 LEU 64 HD13 LEU 64 12.724 10.901 6.368 477 HD21 LEU 64 HD21 LEU 64 13.908 12.396 3.136 478 HD22 LEU 64 HD22 LEU 64 13.167 13.716 4.039 479 HD23 LEU 64 HD23 LEU 64 12.308 12.983 2.685 480 H GLU 65 H GLU 65 14.566 7.475 3.824 481 HA GLU 65 HA GLU 65 13.192 6.031 1.731 482 HB2 GLU 65 HB2 GLU 65 15.062 4.283 2.325 483 HB3 GLU 65 HB3 GLU 65 15.411 5.701 1.355 484 HG2 GLU 65 HG2 GLU 65 17.172 5.357 2.926 485 HG3 GLU 65 HG3 GLU 65 16.306 6.823 3.352 486 H GLU 66 H GLU 66 13.039 3.627 2.079 487 HA GLU 66 HA GLU 66 12.368 1.768 3.192 488 HB2 GLU 66 HB2 GLU 66 11.882 3.492 5.622 489 HB3 GLU 66 HB3 GLU 66 11.791 1.735 5.555 490 HG2 GLU 66 HG2 GLU 66 14.210 1.804 4.785 491 HG3 GLU 66 HG3 GLU 66 14.201 3.488 5.294 492 H GLN 67 H GLN 67 10.890 2.313 1.455 493 HA GLN 67 HA GLN 67 8.235 3.172 2.126 494 HB2 GLN 67 HB2 GLN 67 9.262 3.267 -0.174 495 HB3 GLN 67 HB3 GLN 67 9.100 1.514 -0.246 496 HG2 GLN 67 HG2 GLN 67 6.760 1.622 -0.193 497 HG3 GLN 67 HG3 GLN 67 6.768 3.306 0.320 498 HE21 GLN 67 HE21 GLN 67 5.303 2.367 -1.830 499 HE22 GLN 67 HE22 GLN 67 5.927 3.110 -3.260 500 H LEU 68 H LEU 68 9.406 0.038 0.933 501 HA LEU 68 HA LEU 68 8.545 -1.446 3.168 502 HB2 LEU 68 HB2 LEU 68 6.430 -0.794 1.540 503 HB3 LEU 68 HB3 LEU 68 6.914 -2.353 0.900 504 HG LEU 68 HG LEU 68 5.351 -3.007 2.432 505 HD11 LEU 68 HD11 LEU 68 7.829 -2.846 4.135 506 HD12 LEU 68 HD12 LEU 68 7.414 -4.140 3.013 507 HD13 LEU 68 HD13 LEU 68 6.425 -3.862 4.446 508 HD21 LEU 68 HD21 LEU 68 6.258 -0.774 4.240 509 HD22 LEU 68 HD22 LEU 68 4.980 -1.930 4.615 510 HD23 LEU 68 HD23 LEU 68 4.789 -0.812 3.265 511 H GLY 69 H GLY 69 10.873 -1.920 2.538 512 HA2 GLY 69 HA2 GLY 69 11.399 -4.409 1.935 513 HA3 GLY 69 HA3 GLY 69 11.018 -3.838 0.322 514 H LEU 70 H LEU 70 13.359 -5.020 0.986 515 HA LEU 70 HA LEU 70 15.352 -2.863 0.974 516 HB2 LEU 70 HB2 LEU 70 15.347 -4.863 2.625 517 HB3 LEU 70 HB3 LEU 70 15.867 -5.813 1.256 518 HG LEU 70 HG LEU 70 17.382 -3.422 2.314 519 HD11 LEU 70 HD11 LEU 70 17.808 -6.357 2.848 520 HD12 LEU 70 HD12 LEU 70 17.268 -5.151 4.015 521 HD13 LEU 70 HD13 LEU 70 18.893 -5.055 3.336 522 HD21 LEU 70 HD21 LEU 70 19.241 -4.323 1.028 523 HD22 LEU 70 HD22 LEU 70 17.862 -3.986 -0.020 524 HD23 LEU 70 HD23 LEU 70 18.223 -5.645 0.458 525 H CYS 71 H CYS 71 16.575 -2.557 -0.835 526 HA CYS 71 HA CYS 71 15.487 -3.578 -3.273 527 HB2 CYS 71 HB2 CYS 71 17.657 -1.618 -2.604 528 HB3 CYS 71 HB3 CYS 71 17.377 -2.134 -4.262 529 HA PRO 72 HA PRO 72 18.051 -6.911 -4.608 530 HB2 PRO 72 HB2 PRO 72 19.126 -5.065 -6.709 531 HB3 PRO 72 HB3 PRO 72 18.537 -6.730 -6.868 532 HG2 PRO 72 HG2 PRO 72 17.005 -4.692 -7.606 533 HG3 PRO 72 HG3 PRO 72 16.306 -6.089 -6.765 534 HD2 PRO 72 HD2 PRO 72 16.860 -3.345 -5.749 535 HD3 PRO 72 HD3 PRO 72 15.581 -4.487 -5.289 536 H LEU 73 H LEU 73 19.756 -3.787 -4.843 537 HA LEU 73 HA LEU 73 22.299 -4.896 -4.214 538 HB2 LEU 73 HB2 LEU 73 21.298 -2.059 -4.088 539 HB3 LEU 73 HB3 LEU 73 22.974 -2.530 -3.850 540 HG LEU 73 HG LEU 73 21.449 -3.147 -6.347 541 HD11 LEU 73 HD11 LEU 73 22.612 -1.258 -7.379 542 HD12 LEU 73 HD12 LEU 73 23.259 -0.815 -5.800 543 HD13 LEU 73 HD13 LEU 73 21.523 -0.738 -6.093 544 HD21 LEU 73 HD21 LEU 73 23.395 -4.538 -5.967 545 HD22 LEU 73 HD22 LEU 73 24.385 -3.099 -5.714 546 HD23 LEU 73 HD23 LEU 73 23.688 -3.422 -7.302 547 H LYS 74 H LYS 74 23.299 -5.122 -2.365 548 HA LYS 74 HA LYS 74 21.666 -5.956 -0.254 549 HB2 LYS 74 HB2 LYS 74 24.640 -5.489 -0.305 550 HB3 LYS 74 HB3 LYS 74 23.794 -6.327 0.985 551 HG2 LYS 74 HG2 LYS 74 23.648 -7.250 -1.869 552 HG3 LYS 74 HG3 LYS 74 24.952 -7.741 -0.790 553 HD2 LYS 74 HD2 LYS 74 23.511 -9.475 -0.444 554 HD3 LYS 74 HD3 LYS 74 22.924 -8.367 0.794 555 HE2 LYS 74 HE2 LYS 74 21.178 -7.591 -0.762 556 HE3 LYS 74 HE3 LYS 74 21.761 -8.733 -1.967 557 HZ1 LYS 74 HZ1 LYS 74 19.876 -9.573 -0.727 558 HZ2 LYS 74 HZ2 LYS 74 20.703 -9.471 0.667 559 HZ3 LYS 74 HZ3 LYS 74 21.188 -10.509 -0.488 560 H ARG 75 H ARG 75 23.272 -2.893 -0.675 561 HA ARG 75 HA ARG 75 22.579 -2.201 2.097 562 HB2 ARG 75 HB2 ARG 75 24.207 -0.246 1.685 563 HB3 ARG 75 HB3 ARG 75 24.874 -1.847 1.953 564 HG2 ARG 75 HG2 ARG 75 24.394 -0.909 -0.836 565 HG3 ARG 75 HG3 ARG 75 25.800 -0.325 0.053 566 HD2 ARG 75 HD2 ARG 75 26.573 -2.577 0.400 567 HD3 ARG 75 HD3 ARG 75 25.111 -3.235 -0.327 568 HE ARG 75 HE ARG 75 26.072 -1.793 -2.347 569 HH11 ARG 75 HH11 ARG 75 27.675 -3.990 -0.151 570 HH12 ARG 75 HH12 ARG 75 28.880 -4.472 -1.303 571 HH21 ARG 75 HH21 ARG 75 27.645 -2.442 -3.888 572 HH22 ARG 75 HH22 ARG 75 28.858 -3.596 -3.432 573 H TRP 76 H TRP 76 21.082 -2.033 -0.637 574 HA TRP 76 HA TRP 76 20.494 0.833 -0.580 575 HB2 TRP 76 HB2 TRP 76 19.922 -1.311 -2.616 576 HB3 TRP 76 HB3 TRP 76 19.242 0.313 -2.720 577 HD1 TRP 76 HD1 TRP 76 22.828 -0.931 -1.971 578 HE1 TRP 76 HE1 TRP 76 24.448 0.339 -3.490 579 HE3 TRP 76 HE3 TRP 76 19.443 1.896 -4.501 580 HZ2 TRP 76 HZ2 TRP 76 24.305 2.320 -5.484 581 HZ3 TRP 76 HZ3 TRP 76 20.258 3.501 -6.169 582 HH2 TRP 76 HH2 TRP 76 22.646 3.716 -6.633 583 H THR 77 H THR 77 18.390 1.609 -0.531 584 HA THR 77 HA THR 77 16.501 -0.216 0.808 585 HB THR 77 HB THR 77 16.771 2.749 1.315 586 HG1 THR 77 HG1 THR 77 17.617 1.691 3.431 587 HG21 THR 77 HG21 THR 77 14.579 1.791 1.841 588 HG22 THR 77 HG22 THR 77 15.440 2.261 3.306 589 HG23 THR 77 HG23 THR 77 15.355 0.562 2.841 590 H CYS 78 H CYS 78 14.455 -0.281 0.049 591 HA CYS 78 HA CYS 78 13.710 1.139 -2.316 592 HB2 CYS 78 HB2 CYS 78 12.844 -1.127 -1.757 593 HB3 CYS 78 HB3 CYS 78 11.993 -0.447 -0.377 594 H CYS 79 H CYS 79 13.329 3.256 -2.249 595 HA CYS 79 HA CYS 79 12.307 4.416 0.252 596 HB2 CYS 79 HB2 CYS 79 14.435 5.294 -0.325 597 HB3 CYS 79 HB3 CYS 79 13.939 5.613 -1.990 598 H LYS 80 H LYS 80 10.590 5.758 0.286 599 HA LYS 80 HA LYS 80 8.805 5.499 -1.995 600 HB2 LYS 80 HB2 LYS 80 8.216 5.135 0.520 601 HB3 LYS 80 HB3 LYS 80 8.116 6.890 0.574 602 HG2 LYS 80 HG2 LYS 80 6.368 6.910 -1.051 603 HG3 LYS 80 HG3 LYS 80 6.577 5.186 -1.356 604 HD2 LYS 80 HD2 LYS 80 4.698 5.267 0.003 605 HD3 LYS 80 HD3 LYS 80 6.003 4.879 1.124 606 HE2 LYS 80 HE2 LYS 80 4.913 7.631 0.640 607 HE3 LYS 80 HE3 LYS 80 4.424 6.587 1.969 608 HZ1 LYS 80 HZ1 LYS 80 6.051 8.031 2.789 609 HZ2 LYS 80 HZ2 LYS 80 7.054 7.794 1.536 610 HZ3 LYS 80 HZ3 LYS 80 6.812 6.602 2.614 611 H GLU 81 H GLU 81 9.517 6.893 -3.487 612 HA GLU 81 HA GLU 81 9.838 8.799 -4.623 613 HB2 GLU 81 HB2 GLU 81 7.971 9.764 -2.493 614 HB3 GLU 81 HB3 GLU 81 8.620 10.866 -3.703 615 HG2 GLU 81 HG2 GLU 81 7.027 8.376 -4.241 616 HG3 GLU 81 HG3 GLU 81 6.465 10.038 -4.370 617 H ILE 82 H ILE 82 11.636 9.733 -4.831 618 HA ILE 82 HA ILE 82 13.250 10.497 -2.540 619 HB ILE 82 HB ILE 82 13.913 10.706 -5.487 620 HG12 ILE 82 HG12 ILE 82 14.672 8.529 -3.524 621 HG13 ILE 82 HG13 ILE 82 13.405 8.377 -4.738 622 HG21 ILE 82 HG21 ILE 82 15.667 10.790 -3.031 623 HG22 ILE 82 HG22 ILE 82 15.297 12.140 -4.103 624 HG23 ILE 82 HG23 ILE 82 16.245 10.777 -4.697 625 HD11 ILE 82 HD11 ILE 82 15.057 8.659 -6.502 626 HD12 ILE 82 HD12 ILE 82 15.466 7.304 -5.449 627 HD13 ILE 82 HD13 ILE 82 16.326 8.836 -5.292 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 -19.037 3.295 -4.313 2 H2 LEU 1 H2 LEU 1 -18.321 3.753 -5.697 3 H3 LEU 1 H3 LEU 1 -18.625 4.853 -4.539 4 HA LEU 1 HA LEU 1 -17.080 3.827 -3.051 5 HB2 LEU 1 HB2 LEU 1 -17.512 1.580 -4.382 6 HB3 LEU 1 HB3 LEU 1 -16.163 2.142 -5.339 7 HG LEU 1 HG LEU 1 -14.747 2.180 -3.355 8 HD11 LEU 1 HD11 LEU 1 -15.535 1.082 -1.290 9 HD12 LEU 1 HD12 LEU 1 -17.161 1.024 -1.970 10 HD13 LEU 1 HD13 LEU 1 -16.400 2.577 -1.635 11 HD21 LEU 1 HD21 LEU 1 -14.565 -0.245 -3.078 12 HD22 LEU 1 HD22 LEU 1 -14.784 0.208 -4.767 13 HD23 LEU 1 HD23 LEU 1 -16.139 -0.444 -3.846 14 HA PRO 2 HA PRO 2 -14.443 6.943 -4.773 15 HB2 PRO 2 HB2 PRO 2 -12.259 5.661 -3.213 16 HB3 PRO 2 HB3 PRO 2 -12.846 7.322 -3.167 17 HG2 PRO 2 HG2 PRO 2 -13.421 5.643 -1.193 18 HG3 PRO 2 HG3 PRO 2 -14.647 6.793 -1.794 19 HD2 PRO 2 HD2 PRO 2 -14.350 3.863 -2.369 20 HD3 PRO 2 HD3 PRO 2 -15.818 4.792 -2.015 21 H ARG 3 H ARG 3 -12.721 7.247 -6.228 22 HA ARG 3 HA ARG 3 -12.852 5.643 -8.409 23 HB2 ARG 3 HB2 ARG 3 -11.945 7.930 -8.426 24 HB3 ARG 3 HB3 ARG 3 -10.487 7.351 -7.633 25 HG2 ARG 3 HG2 ARG 3 -10.196 5.800 -9.628 26 HG3 ARG 3 HG3 ARG 3 -11.434 6.774 -10.421 27 HD2 ARG 3 HD2 ARG 3 -10.066 8.770 -10.119 28 HD3 ARG 3 HD3 ARG 3 -8.839 7.816 -9.291 29 HE ARG 3 HE ARG 3 -9.563 7.465 -12.131 30 HH11 ARG 3 HH11 ARG 3 -7.218 7.357 -9.529 31 HH12 ARG 3 HH12 ARG 3 -5.873 7.080 -10.588 32 HH21 ARG 3 HH21 ARG 3 -7.802 7.048 -13.516 33 HH22 ARG 3 HH22 ARG 3 -6.210 6.866 -12.853 34 H ASP 4 H ASP 4 -10.190 5.531 -6.035 35 HA ASP 4 HA ASP 4 -9.126 3.253 -7.555 36 HB2 ASP 4 HB2 ASP 4 -7.759 5.181 -5.691 37 HB3 ASP 4 HB3 ASP 4 -6.987 3.728 -6.318 38 H THR 5 H THR 5 -11.104 3.558 -5.078 39 HA THR 5 HA THR 5 -9.842 1.897 -3.133 40 HB THR 5 HB THR 5 -12.778 2.479 -3.558 41 HG1 THR 5 HG1 THR 5 -11.772 3.628 -1.386 42 HG21 THR 5 HG21 THR 5 -13.068 1.723 -1.254 43 HG22 THR 5 HG22 THR 5 -11.353 1.319 -1.161 44 HG23 THR 5 HG23 THR 5 -12.411 0.428 -2.256 45 H SER 6 H SER 6 -12.145 1.327 -5.777 46 HA SER 6 HA SER 6 -12.371 -1.463 -5.354 47 HB2 SER 6 HB2 SER 6 -13.989 -0.109 -6.661 48 HB3 SER 6 HB3 SER 6 -12.779 0.077 -7.925 49 HG SER 6 HG SER 6 -12.981 -2.511 -7.386 50 H ARG 7 H ARG 7 -9.997 0.533 -6.849 51 HA ARG 7 HA ARG 7 -8.669 -1.599 -8.254 52 HB2 ARG 7 HB2 ARG 7 -8.406 0.635 -9.127 53 HB3 ARG 7 HB3 ARG 7 -7.831 1.229 -7.575 54 HG2 ARG 7 HG2 ARG 7 -6.185 -0.946 -8.488 55 HG3 ARG 7 HG3 ARG 7 -6.296 0.310 -9.724 56 HD2 ARG 7 HD2 ARG 7 -5.641 0.893 -6.844 57 HD3 ARG 7 HD3 ARG 7 -4.407 0.505 -8.039 58 HE ARG 7 HE ARG 7 -6.221 2.765 -8.528 59 HH11 ARG 7 HH11 ARG 7 -2.991 1.537 -7.939 60 HH12 ARG 7 HH12 ARG 7 -2.219 3.059 -8.245 61 HH21 ARG 7 HH21 ARG 7 -5.210 4.759 -8.936 62 HH22 ARG 7 HH22 ARG 7 -3.477 4.892 -8.819 63 H CYS 8 H CYS 8 -8.188 0.211 -5.260 64 HA CYS 8 HA CYS 8 -5.667 -0.942 -4.689 65 HB2 CYS 8 HB2 CYS 8 -6.876 1.251 -3.766 66 HB3 CYS 8 HB3 CYS 8 -7.351 0.136 -2.499 67 H VAL 9 H VAL 9 -8.961 -1.709 -3.729 68 HA VAL 9 HA VAL 9 -8.503 -3.247 -1.488 69 HB VAL 9 HB VAL 9 -10.726 -2.550 -2.153 70 HG11 VAL 9 HG11 VAL 9 -11.928 -3.619 -3.980 71 HG12 VAL 9 HG12 VAL 9 -10.482 -4.539 -4.395 72 HG13 VAL 9 HG13 VAL 9 -10.483 -2.781 -4.555 73 HG21 VAL 9 HG21 VAL 9 -10.579 -4.457 -0.650 74 HG22 VAL 9 HG22 VAL 9 -10.499 -5.557 -2.026 75 HG23 VAL 9 HG23 VAL 9 -11.967 -4.627 -1.726 76 H GLY 10 H GLY 10 -8.149 -4.183 -4.855 77 HA2 GLY 10 HA2 GLY 10 -7.658 -6.957 -4.116 78 HA3 GLY 10 HA3 GLY 10 -7.674 -6.300 -5.745 79 H TYR 11 H TYR 11 -5.854 -4.080 -4.689 80 HA TYR 11 HA TYR 11 -3.416 -5.565 -5.281 81 HB2 TYR 11 HB2 TYR 11 -4.137 -2.655 -5.453 82 HB3 TYR 11 HB3 TYR 11 -2.469 -3.201 -5.546 83 HD1 TYR 11 HD1 TYR 11 -2.792 -5.690 -7.135 84 HD2 TYR 11 HD2 TYR 11 -4.576 -1.858 -7.592 85 HE1 TYR 11 HE1 TYR 11 -3.052 -6.107 -9.538 86 HE2 TYR 11 HE2 TYR 11 -4.846 -2.265 -10.001 87 HH TYR 11 HH TYR 11 -3.705 -3.708 -11.760 88 H HIS 12 H HIS 12 -4.250 -2.808 -3.149 89 HA HIS 12 HA HIS 12 -2.017 -3.677 -1.426 90 HB2 HIS 12 HB2 HIS 12 -2.898 -0.834 -1.355 91 HB3 HIS 12 HB3 HIS 12 -1.291 -1.515 -1.147 92 HD1 HIS 12 HD1 HIS 12 -3.041 0.571 -3.343 93 HD2 HIS 12 HD2 HIS 12 -0.403 -2.589 -3.900 94 HE1 HIS 12 HE1 HIS 12 -2.200 0.804 -5.698 95 HE2 HIS 12 HE2 HIS 12 -0.421 -0.965 -5.921 96 H GLY 13 H GLY 13 -5.132 -3.997 -1.418 97 HA2 GLY 13 HA2 GLY 13 -6.189 -4.803 0.564 98 HA3 GLY 13 HA3 GLY 13 -5.218 -3.675 1.497 99 H TYR 14 H TYR 14 -7.359 -3.241 2.482 100 HA TYR 14 HA TYR 14 -9.311 -1.882 0.821 101 HB2 TYR 14 HB2 TYR 14 -10.600 -1.723 2.980 102 HB3 TYR 14 HB3 TYR 14 -10.227 -3.359 2.456 103 HD1 TYR 14 HD1 TYR 14 -9.115 -4.838 3.888 104 HD2 TYR 14 HD2 TYR 14 -9.101 -0.680 4.770 105 HE1 TYR 14 HE1 TYR 14 -8.111 -5.311 6.080 106 HE2 TYR 14 HE2 TYR 14 -8.096 -1.138 6.965 107 HH TYR 14 HH TYR 14 -6.851 -4.244 7.790 108 H CYS 15 H CYS 15 -10.339 0.141 2.146 109 HA CYS 15 HA CYS 15 -8.060 1.957 2.564 110 HB2 CYS 15 HB2 CYS 15 -10.592 2.591 1.043 111 HB3 CYS 15 HB3 CYS 15 -9.232 3.674 1.304 112 H ILE 16 H ILE 16 -8.259 2.097 4.776 113 HA ILE 16 HA ILE 16 -10.831 2.920 5.885 114 HB ILE 16 HB ILE 16 -9.708 2.760 8.101 115 HG12 ILE 16 HG12 ILE 16 -7.414 1.651 6.475 116 HG13 ILE 16 HG13 ILE 16 -7.399 3.140 7.407 117 HG21 ILE 16 HG21 ILE 16 -11.026 0.932 7.315 118 HG22 ILE 16 HG22 ILE 16 -9.588 0.286 8.105 119 HG23 ILE 16 HG23 ILE 16 -9.688 0.323 6.344 120 HD11 ILE 16 HD11 ILE 16 -6.240 1.360 8.574 121 HD12 ILE 16 HD12 ILE 16 -7.694 0.363 8.529 122 HD13 ILE 16 HD13 ILE 16 -7.679 1.859 9.463 123 H ARG 17 H ARG 17 -10.422 4.664 7.781 124 HA ARG 17 HA ARG 17 -9.789 6.996 6.231 125 HB2 ARG 17 HB2 ARG 17 -11.747 6.965 7.695 126 HB3 ARG 17 HB3 ARG 17 -10.713 6.740 9.100 127 HG2 ARG 17 HG2 ARG 17 -9.695 8.932 8.694 128 HG3 ARG 17 HG3 ARG 17 -10.753 9.156 7.300 129 HD2 ARG 17 HD2 ARG 17 -12.706 9.061 8.740 130 HD3 ARG 17 HD3 ARG 17 -11.682 8.756 10.141 131 HE ARG 17 HE ARG 17 -10.751 11.108 9.103 132 HH11 ARG 17 HH11 ARG 17 -13.854 9.954 10.234 133 HH12 ARG 17 HH12 ARG 17 -14.396 11.524 10.741 134 HH21 ARG 17 HH21 ARG 17 -11.435 13.165 9.813 135 HH22 ARG 17 HH22 ARG 17 -13.009 13.350 10.519 136 H SER 18 H SER 18 -8.097 5.115 8.632 137 HA SER 18 HA SER 18 -6.011 7.170 8.650 138 HB2 SER 18 HB2 SER 18 -7.394 7.473 10.659 139 HB3 SER 18 HB3 SER 18 -7.098 5.811 11.119 140 HG SER 18 HG SER 18 -5.426 8.034 11.240 141 H LYS 19 H LYS 19 -4.098 6.179 10.055 142 HA LYS 19 HA LYS 19 -3.239 3.908 8.482 143 HB2 LYS 19 HB2 LYS 19 -1.720 5.534 10.525 144 HB3 LYS 19 HB3 LYS 19 -1.035 4.442 9.335 145 HG2 LYS 19 HG2 LYS 19 -0.671 6.617 8.569 146 HG3 LYS 19 HG3 LYS 19 -1.941 5.962 7.557 147 HD2 LYS 19 HD2 LYS 19 -3.595 7.199 8.867 148 HD3 LYS 19 HD3 LYS 19 -2.315 7.829 9.903 149 HE2 LYS 19 HE2 LYS 19 -2.585 8.313 6.942 150 HE3 LYS 19 HE3 LYS 19 -3.037 9.451 8.208 151 HZ1 LYS 19 HZ1 LYS 19 -0.893 10.000 7.412 152 HZ2 LYS 19 HZ2 LYS 19 -0.335 8.488 7.606 153 HZ3 LYS 19 HZ3 LYS 19 -0.699 9.389 8.910 154 H VAL 20 H VAL 20 -5.126 3.899 10.828 155 HA VAL 20 HA VAL 20 -3.910 2.416 12.947 156 HB VAL 20 HB VAL 20 -6.849 2.286 12.349 157 HG11 VAL 20 HG11 VAL 20 -6.006 0.984 14.233 158 HG12 VAL 20 HG12 VAL 20 -7.041 2.302 14.786 159 HG13 VAL 20 HG13 VAL 20 -5.288 2.438 14.927 160 HG21 VAL 20 HG21 VAL 20 -7.175 4.413 13.462 161 HG22 VAL 20 HG22 VAL 20 -6.160 4.610 12.034 162 HG23 VAL 20 HG23 VAL 20 -5.431 4.609 13.640 163 H CYS 21 H CYS 21 -3.358 1.250 10.365 164 HA CYS 21 HA CYS 21 -4.895 -0.980 9.725 165 HB2 CYS 21 HB2 CYS 21 -1.893 -0.720 9.505 166 HB3 CYS 21 HB3 CYS 21 -2.940 -1.754 8.534 167 HA PRO 22 HA PRO 22 -4.037 -3.689 13.195 168 HB2 PRO 22 HB2 PRO 22 -5.237 -5.893 12.170 169 HB3 PRO 22 HB3 PRO 22 -6.155 -4.544 12.848 170 HG2 PRO 22 HG2 PRO 22 -5.563 -5.187 9.989 171 HG3 PRO 22 HG3 PRO 22 -7.078 -4.625 10.719 172 HD2 PRO 22 HD2 PRO 22 -5.376 -2.977 9.390 173 HD3 PRO 22 HD3 PRO 22 -6.402 -2.427 10.729 174 H LYS 23 H LYS 23 -3.232 -6.168 13.202 175 HA LYS 23 HA LYS 23 -1.080 -6.321 11.210 176 HB2 LYS 23 HB2 LYS 23 -1.075 -7.378 14.038 177 HB3 LYS 23 HB3 LYS 23 0.277 -7.428 12.913 178 HG2 LYS 23 HG2 LYS 23 -0.930 -5.039 14.275 179 HG3 LYS 23 HG3 LYS 23 0.724 -5.644 14.380 180 HD2 LYS 23 HD2 LYS 23 1.163 -4.995 12.108 181 HD3 LYS 23 HD3 LYS 23 -0.534 -4.574 11.864 182 HE2 LYS 23 HE2 LYS 23 0.727 -2.556 12.174 183 HE3 LYS 23 HE3 LYS 23 -0.299 -2.812 13.584 184 HZ1 LYS 23 HZ1 LYS 23 1.921 -2.143 14.189 185 HZ2 LYS 23 HZ2 LYS 23 2.565 -3.434 13.440 186 HZ3 LYS 23 HZ3 LYS 23 1.620 -3.644 14.747 187 HA PRO 24 HA PRO 24 0.266 -7.486 10.402 188 HB2 PRO 24 HB2 PRO 24 0.794 -8.966 8.252 189 HB3 PRO 24 HB3 PRO 24 1.195 -9.540 9.875 190 HG2 PRO 24 HG2 PRO 24 -1.077 -10.297 8.094 191 HG3 PRO 24 HG3 PRO 24 -0.117 -11.316 9.179 192 HD2 PRO 24 HD2 PRO 24 -2.629 -10.268 9.754 193 HD3 PRO 24 HD3 PRO 24 -1.471 -10.859 10.957 194 H PHE 25 H PHE 25 -0.642 -5.567 9.671 195 HA PHE 25 HA PHE 25 -1.344 -5.531 6.841 196 HB2 PHE 25 HB2 PHE 25 -3.074 -4.347 9.026 197 HB3 PHE 25 HB3 PHE 25 -3.163 -3.809 7.358 198 HD1 PHE 25 HD1 PHE 25 -4.781 -4.728 6.040 199 HD2 PHE 25 HD2 PHE 25 -3.304 -6.966 9.343 200 HE1 PHE 25 HE1 PHE 25 -6.446 -6.481 5.594 201 HE2 PHE 25 HE2 PHE 25 -4.967 -8.722 8.901 202 HZ PHE 25 HZ PHE 25 -6.532 -8.473 7.027 203 H ALA 26 H ALA 26 -0.698 -3.630 5.822 204 HA ALA 26 HA ALA 26 0.779 -1.771 7.576 205 HB1 ALA 26 HB1 ALA 26 2.481 -1.517 5.915 206 HB2 ALA 26 HB2 ALA 26 1.570 -2.488 4.761 207 HB3 ALA 26 HB3 ALA 26 2.255 -3.245 6.199 208 H ALA 27 H ALA 27 0.365 0.327 7.377 209 HA ALA 27 HA ALA 27 -1.594 1.439 5.733 210 HB1 ALA 27 HB1 ALA 27 -0.860 2.537 7.761 211 HB2 ALA 27 HB2 ALA 27 -0.574 3.607 6.387 212 HB3 ALA 27 HB3 ALA 27 0.768 2.722 7.109 213 H PHE 28 H PHE 28 -1.324 0.893 3.610 214 HA PHE 28 HA PHE 28 1.220 1.464 2.311 215 HB2 PHE 28 HB2 PHE 28 -0.916 -0.457 1.922 216 HB3 PHE 28 HB3 PHE 28 -0.574 0.405 0.431 217 HD1 PHE 28 HD1 PHE 28 2.156 0.766 0.211 218 HD2 PHE 28 HD2 PHE 28 0.117 -2.472 2.050 219 HE1 PHE 28 HE1 PHE 28 4.106 -0.687 -0.197 220 HE2 PHE 28 HE2 PHE 28 2.049 -3.934 1.651 221 HZ PHE 28 HZ PHE 28 4.055 -3.040 0.528 222 H GLY 29 H GLY 29 1.074 3.684 2.359 223 HA2 GLY 29 HA2 GLY 29 0.587 5.761 1.553 224 HA3 GLY 29 HA3 GLY 29 0.325 4.922 0.039 225 H THR 30 H THR 30 -1.387 5.816 -0.787 226 HA THR 30 HA THR 30 -3.906 5.582 0.675 227 HB THR 30 HB THR 30 -4.644 7.782 -0.200 228 HG1 THR 30 HG1 THR 30 -2.156 8.752 -0.780 229 HG21 THR 30 HG21 THR 30 -3.761 7.815 2.039 230 HG22 THR 30 HG22 THR 30 -3.154 9.248 1.203 231 HG23 THR 30 HG23 THR 30 -2.104 7.848 1.436 232 H CYS 31 H CYS 31 -5.598 4.898 -0.677 233 HA CYS 31 HA CYS 31 -4.810 3.930 -3.253 234 HB2 CYS 31 HB2 CYS 31 -7.219 3.158 -3.338 235 HB3 CYS 31 HB3 CYS 31 -6.236 2.506 -2.033 236 H SER 32 H SER 32 -7.692 5.844 -2.374 237 HA SER 32 HA SER 32 -7.485 7.093 -5.028 238 HB2 SER 32 HB2 SER 32 -9.552 5.709 -4.340 239 HB3 SER 32 HB3 SER 32 -9.948 7.064 -3.287 240 HG SER 32 HG SER 32 -9.363 8.036 -5.693 241 H TRP 33 H TRP 33 -9.022 8.003 -1.962 242 HA TRP 33 HA TRP 33 -8.039 10.717 -2.302 243 HB2 TRP 33 HB2 TRP 33 -9.689 9.768 0.027 244 HB3 TRP 33 HB3 TRP 33 -9.619 11.371 -0.693 245 HD1 TRP 33 HD1 TRP 33 -12.182 9.193 -0.202 246 HE1 TRP 33 HE1 TRP 33 -13.834 8.958 -2.150 247 HE3 TRP 33 HE3 TRP 33 -9.268 11.041 -3.987 248 HZ2 TRP 33 HZ2 TRP 33 -13.895 9.456 -4.914 249 HZ3 TRP 33 HZ3 TRP 33 -10.218 11.108 -6.260 250 HH2 TRP 33 HH2 TRP 33 -12.475 10.338 -6.708 251 H ARG 34 H ARG 34 -6.616 11.689 -0.902 252 HA ARG 34 HA ARG 34 -4.721 10.016 0.382 253 HB2 ARG 34 HB2 ARG 34 -4.036 12.110 -0.595 254 HB3 ARG 34 HB3 ARG 34 -5.143 13.004 0.435 255 HG2 ARG 34 HG2 ARG 34 -3.136 11.359 1.825 256 HG3 ARG 34 HG3 ARG 34 -2.532 12.740 0.925 257 HD2 ARG 34 HD2 ARG 34 -4.655 12.796 3.059 258 HD3 ARG 34 HD3 ARG 34 -2.992 13.353 3.236 259 HE ARG 34 HE ARG 34 -4.262 14.693 1.086 260 HH11 ARG 34 HH11 ARG 34 -4.150 14.608 4.583 261 HH12 ARG 34 HH12 ARG 34 -4.636 16.261 4.767 262 HH21 ARG 34 HH21 ARG 34 -4.894 16.879 1.331 263 HH22 ARG 34 HH22 ARG 34 -5.055 17.551 2.921 264 H GLN 35 H GLN 35 -7.562 11.606 1.364 265 HA GLN 35 HA GLN 35 -7.318 11.817 4.113 266 HB2 GLN 35 HB2 GLN 35 -9.807 10.937 2.652 267 HB3 GLN 35 HB3 GLN 35 -9.719 11.767 4.199 268 HG2 GLN 35 HG2 GLN 35 -8.614 13.664 2.944 269 HG3 GLN 35 HG3 GLN 35 -9.117 12.844 1.472 270 HE21 GLN 35 HE21 GLN 35 -11.589 11.867 2.705 271 HE22 GLN 35 HE22 GLN 35 -12.645 13.232 2.785 272 H LYS 36 H LYS 36 -7.604 8.989 2.169 273 HA LYS 36 HA LYS 36 -7.982 7.352 4.588 274 HB2 LYS 36 HB2 LYS 36 -8.958 5.633 3.023 275 HB3 LYS 36 HB3 LYS 36 -9.929 7.073 3.265 276 HG2 LYS 36 HG2 LYS 36 -8.523 7.816 1.098 277 HG3 LYS 36 HG3 LYS 36 -8.579 6.071 0.851 278 HD2 LYS 36 HD2 LYS 36 -10.952 7.882 1.283 279 HD3 LYS 36 HD3 LYS 36 -10.445 7.193 -0.257 280 HE2 LYS 36 HE2 LYS 36 -12.048 5.689 0.310 281 HE3 LYS 36 HE3 LYS 36 -10.663 4.938 1.096 282 HZ1 LYS 36 HZ1 LYS 36 -12.536 5.031 2.568 283 HZ2 LYS 36 HZ2 LYS 36 -12.640 6.646 2.425 284 HZ3 LYS 36 HZ3 LYS 36 -11.349 5.983 3.151 285 H THR 37 H THR 37 -6.853 5.429 4.751 286 HA THR 37 HA THR 37 -4.365 5.347 3.184 287 HB THR 37 HB THR 37 -4.960 4.258 5.951 288 HG1 THR 37 HG1 THR 37 -4.560 6.688 5.336 289 HG21 THR 37 HG21 THR 37 -3.280 2.914 4.751 290 HG22 THR 37 HG22 THR 37 -2.568 3.796 6.100 291 HG23 THR 37 HG23 THR 37 -2.339 4.373 4.448 292 H CYS 38 H CYS 38 -3.676 3.372 2.299 293 HA CYS 38 HA CYS 38 -5.818 1.408 1.983 294 HB2 CYS 38 HB2 CYS 38 -4.505 2.441 0.044 295 HB3 CYS 38 HB3 CYS 38 -3.151 1.454 0.575 296 H CYS 39 H CYS 39 -5.771 -0.472 3.108 297 HA CYS 39 HA CYS 39 -3.221 -1.191 4.401 298 HB2 CYS 39 HB2 CYS 39 -5.999 -1.355 5.574 299 HB3 CYS 39 HB3 CYS 39 -4.537 -1.952 6.349 300 H VAL 40 H VAL 40 -2.505 -3.016 3.582 301 HA VAL 40 HA VAL 40 -4.447 -5.157 2.972 302 HB VAL 40 HB VAL 40 -3.051 -4.220 1.059 303 HG11 VAL 40 HG11 VAL 40 -0.852 -5.750 2.412 304 HG12 VAL 40 HG12 VAL 40 -0.958 -3.998 2.241 305 HG13 VAL 40 HG13 VAL 40 -0.783 -5.013 0.809 306 HG21 VAL 40 HG21 VAL 40 -2.906 -7.170 1.646 307 HG22 VAL 40 HG22 VAL 40 -2.657 -6.432 0.062 308 HG23 VAL 40 HG23 VAL 40 -4.229 -6.316 0.851 309 H ASP 41 H ASP 41 -3.905 -7.296 3.604 310 HA ASP 41 HA ASP 41 -2.475 -7.563 5.996 311 HB2 ASP 41 HB2 ASP 41 -2.838 -10.008 5.507 312 HB3 ASP 41 HB3 ASP 41 -4.283 -9.037 5.603 313 H THR 42 H THR 42 -0.373 -7.038 5.891 314 HA THR 42 HA THR 42 1.167 -7.691 3.536 315 HB THR 42 HB THR 42 2.960 -6.395 4.893 316 HG1 THR 42 HG1 THR 42 2.346 -5.839 6.830 317 HG21 THR 42 HG21 THR 42 2.064 -4.288 4.150 318 HG22 THR 42 HG22 THR 42 0.429 -4.942 4.110 319 HG23 THR 42 HG23 THR 42 1.638 -5.519 2.964 320 H THR 43 H THR 43 1.214 -10.002 3.838 321 HA THR 43 HA THR 43 3.328 -10.751 5.720 322 HB THR 43 HB THR 43 1.345 -11.966 6.263 323 HG1 THR 43 HG1 THR 43 2.975 -13.805 4.834 324 HG21 THR 43 HG21 THR 43 0.250 -11.781 4.025 325 HG22 THR 43 HG22 THR 43 0.122 -13.369 4.778 326 HG23 THR 43 HG23 THR 43 1.277 -13.107 3.475 327 H SER 44 H SER 44 2.120 -11.844 2.519 328 HA SER 44 HA SER 44 4.876 -12.448 1.739 329 HB2 SER 44 HB2 SER 44 2.374 -13.110 0.220 330 HB3 SER 44 HB3 SER 44 3.969 -13.823 0.022 331 HG SER 44 HG SER 44 2.545 -15.166 1.233 332 H ASP 45 H ASP 45 2.011 -10.788 0.479 333 HA ASP 45 HA ASP 45 3.369 -9.938 -1.899 334 HB2 ASP 45 HB2 ASP 45 0.982 -10.668 -1.843 335 HB3 ASP 45 HB3 ASP 45 0.600 -9.202 -0.946 336 H PHE 46 H PHE 46 3.233 -8.728 1.164 337 HA PHE 46 HA PHE 46 2.865 -6.031 0.979 338 HB2 PHE 46 HB2 PHE 46 4.324 -5.781 2.918 339 HB3 PHE 46 HB3 PHE 46 3.158 -7.076 3.108 340 HD1 PHE 46 HD1 PHE 46 5.008 -8.831 1.185 341 HD2 PHE 46 HD2 PHE 46 5.551 -6.713 4.808 342 HE1 PHE 46 HE1 PHE 46 6.827 -10.369 1.786 343 HE2 PHE 46 HE2 PHE 46 7.385 -8.221 5.433 344 HZ PHE 46 HZ PHE 46 8.039 -10.056 3.919 345 H HIS 47 H HIS 47 5.465 -7.765 -0.374 346 HA HIS 47 HA HIS 47 7.426 -5.791 -0.621 347 HB2 HIS 47 HB2 HIS 47 6.772 -8.241 -2.186 348 HB3 HIS 47 HB3 HIS 47 7.940 -7.099 -2.845 349 HD1 HIS 47 HD1 HIS 47 10.034 -6.571 -1.211 350 HD2 HIS 47 HD2 HIS 47 7.795 -9.961 -0.342 351 HE1 HIS 47 HE1 HIS 47 11.468 -7.950 0.321 352 HE2 HIS 47 HE2 HIS 47 10.177 -10.085 0.656 353 H THR 48 H THR 48 4.392 -5.520 -1.644 354 HA THR 48 HA THR 48 4.146 -4.595 -4.169 355 HB THR 48 HB THR 48 2.934 -3.739 -1.579 356 HG1 THR 48 HG1 THR 48 2.526 -5.861 -2.527 357 HG21 THR 48 HG21 THR 48 1.183 -2.546 -2.740 358 HG22 THR 48 HG22 THR 48 1.951 -2.874 -4.293 359 HG23 THR 48 HG23 THR 48 2.750 -1.823 -3.118 360 H CYS 49 H CYS 49 6.252 -3.140 -1.944 361 HA CYS 49 HA CYS 49 5.871 -0.485 -1.886 362 HB2 CYS 49 HB2 CYS 49 8.206 -0.159 -1.535 363 HB3 CYS 49 HB3 CYS 49 7.775 -1.718 -0.845 364 H GLN 50 H GLN 50 7.356 -2.097 -4.731 365 HA GLN 50 HA GLN 50 8.121 0.204 -6.079 366 HB2 GLN 50 HB2 GLN 50 7.935 -1.160 -8.161 367 HB3 GLN 50 HB3 GLN 50 8.894 -1.889 -6.892 368 HG2 GLN 50 HG2 GLN 50 6.016 -2.604 -7.367 369 HG3 GLN 50 HG3 GLN 50 7.352 -3.417 -8.181 370 HE21 GLN 50 HE21 GLN 50 5.395 -4.498 -6.309 371 HE22 GLN 50 HE22 GLN 50 6.305 -5.128 -4.971 372 H ASP 51 H ASP 51 4.920 -1.213 -5.808 373 HA ASP 51 HA ASP 51 3.807 0.345 -7.963 374 HB2 ASP 51 HB2 ASP 51 2.959 -1.912 -7.110 375 HB3 ASP 51 HB3 ASP 51 2.234 -1.014 -5.781 376 H LYS 52 H LYS 52 4.336 0.751 -4.589 377 HA LYS 52 HA LYS 52 2.565 2.928 -4.109 378 HB2 LYS 52 HB2 LYS 52 4.830 1.609 -2.767 379 HB3 LYS 52 HB3 LYS 52 4.642 3.307 -2.383 380 HG2 LYS 52 HG2 LYS 52 2.448 1.283 -2.124 381 HG3 LYS 52 HG3 LYS 52 3.548 1.723 -0.826 382 HD2 LYS 52 HD2 LYS 52 1.639 3.566 -2.265 383 HD3 LYS 52 HD3 LYS 52 1.471 2.970 -0.616 384 HE2 LYS 52 HE2 LYS 52 3.695 4.758 -1.613 385 HE3 LYS 52 HE3 LYS 52 2.295 5.290 -0.697 386 HZ1 LYS 52 HZ1 LYS 52 3.074 3.857 1.098 387 HZ2 LYS 52 HZ2 LYS 52 4.142 5.030 0.736 388 HZ3 LYS 52 HZ3 LYS 52 4.416 3.500 0.246 389 H GLY 53 H GLY 53 5.107 2.701 -6.179 390 HA2 GLY 53 HA2 GLY 53 6.360 4.377 -7.221 391 HA3 GLY 53 HA3 GLY 53 5.830 5.515 -5.977 392 H GLY 54 H GLY 54 7.209 2.315 -5.559 393 HA2 GLY 54 HA2 GLY 54 8.775 2.951 -3.368 394 HA3 GLY 54 HA3 GLY 54 9.052 1.568 -4.411 395 H HIS 55 H HIS 55 10.383 4.251 -3.179 396 HA HIS 55 HA HIS 55 11.773 5.178 -5.534 397 HB2 HIS 55 HB2 HIS 55 11.771 6.038 -2.654 398 HB3 HIS 55 HB3 HIS 55 12.893 6.719 -3.828 399 HD1 HIS 55 HD1 HIS 55 11.934 8.360 -5.567 400 HD2 HIS 55 HD2 HIS 55 9.093 6.823 -2.949 401 HE1 HIS 55 HE1 HIS 55 9.877 9.769 -5.893 402 HE2 HIS 55 HE2 HIS 55 8.126 8.713 -4.424 403 H CYS 56 H CYS 56 14.031 5.243 -5.712 404 HA CYS 56 HA CYS 56 15.385 3.104 -4.224 405 HB2 CYS 56 HB2 CYS 56 15.512 3.747 -7.171 406 HB3 CYS 56 HB3 CYS 56 16.705 2.734 -6.364 407 H VAL 57 H VAL 57 16.888 3.963 -2.980 408 HA VAL 57 HA VAL 57 18.399 6.232 -4.079 409 HB VAL 57 HB VAL 57 18.638 7.169 -1.851 410 HG11 VAL 57 HG11 VAL 57 15.767 6.675 -2.587 411 HG12 VAL 57 HG12 VAL 57 16.813 7.925 -3.259 412 HG13 VAL 57 HG13 VAL 57 16.362 7.975 -1.554 413 HG21 VAL 57 HG21 VAL 57 17.295 6.343 0.026 414 HG22 VAL 57 HG22 VAL 57 18.478 5.152 -0.514 415 HG23 VAL 57 HG23 VAL 57 16.779 4.973 -0.956 416 H SER 58 H SER 58 20.501 6.124 -4.029 417 HA SER 58 HA SER 58 21.910 3.792 -3.283 418 HB2 SER 58 HB2 SER 58 22.809 5.137 -5.027 419 HB3 SER 58 HB3 SER 58 22.720 6.601 -4.056 420 HG SER 58 HG SER 58 24.646 4.608 -4.126 421 HA PRO 59 HA PRO 59 22.550 4.277 1.029 422 HB2 PRO 59 HB2 PRO 59 25.247 3.665 1.229 423 HB3 PRO 59 HB3 PRO 59 23.934 2.487 1.172 424 HG2 PRO 59 HG2 PRO 59 25.751 3.408 -0.999 425 HG3 PRO 59 HG3 PRO 59 25.080 1.795 -0.701 426 HD2 PRO 59 HD2 PRO 59 24.125 3.423 -2.624 427 HD3 PRO 59 HD3 PRO 59 23.078 2.303 -1.733 428 H LYS 60 H LYS 60 24.287 6.202 -1.206 429 HA LYS 60 HA LYS 60 25.472 7.890 0.841 430 HB2 LYS 60 HB2 LYS 60 26.333 9.224 -1.036 431 HB3 LYS 60 HB3 LYS 60 26.756 7.527 -1.186 432 HG2 LYS 60 HG2 LYS 60 25.017 7.205 -2.841 433 HG3 LYS 60 HG3 LYS 60 24.503 8.883 -2.648 434 HD2 LYS 60 HD2 LYS 60 26.686 9.648 -3.429 435 HD3 LYS 60 HD3 LYS 60 27.217 7.976 -3.602 436 HE2 LYS 60 HE2 LYS 60 24.897 9.204 -5.083 437 HE3 LYS 60 HE3 LYS 60 26.524 9.034 -5.738 438 HZ1 LYS 60 HZ1 LYS 60 26.304 6.671 -5.537 439 HZ2 LYS 60 HZ2 LYS 60 25.062 7.245 -6.413 440 HZ3 LYS 60 HZ3 LYS 60 24.826 6.802 -4.868 441 H ILE 61 H ILE 61 22.475 7.589 -0.616 442 HA ILE 61 HA ILE 61 21.784 10.404 -0.624 443 HB ILE 61 HB ILE 61 19.905 8.041 -0.750 444 HG12 ILE 61 HG12 ILE 61 21.702 7.938 -2.474 445 HG13 ILE 61 HG13 ILE 61 20.080 8.054 -3.137 446 HG21 ILE 61 HG21 ILE 61 18.815 10.163 -0.317 447 HG22 ILE 61 HG22 ILE 61 18.426 9.594 -1.940 448 HG23 ILE 61 HG23 ILE 61 19.611 10.880 -1.717 449 HD11 ILE 61 HD11 ILE 61 20.455 10.449 -3.530 450 HD12 ILE 61 HD12 ILE 61 21.598 9.421 -4.393 451 HD13 ILE 61 HD13 ILE 61 22.103 10.267 -2.929 452 H ARG 62 H ARG 62 20.170 11.283 0.815 453 HA ARG 62 HA ARG 62 20.108 9.868 3.390 454 HB2 ARG 62 HB2 ARG 62 20.268 12.815 2.802 455 HB3 ARG 62 HB3 ARG 62 19.812 12.196 4.385 456 HG2 ARG 62 HG2 ARG 62 21.924 11.016 4.553 457 HG3 ARG 62 HG3 ARG 62 22.386 11.586 2.950 458 HD2 ARG 62 HD2 ARG 62 21.784 13.389 5.288 459 HD3 ARG 62 HD3 ARG 62 23.403 12.885 4.809 460 HE ARG 62 HE ARG 62 21.638 14.384 2.985 461 HH11 ARG 62 HH11 ARG 62 24.726 13.954 4.594 462 HH12 ARG 62 HH12 ARG 62 25.483 15.264 3.749 463 HH21 ARG 62 HH21 ARG 62 22.649 16.093 1.864 464 HH22 ARG 62 HH22 ARG 62 24.313 16.465 2.189 465 H CYS 63 H CYS 63 18.299 8.783 2.962 466 HA CYS 63 HA CYS 63 15.783 10.300 3.077 467 HB2 CYS 63 HB2 CYS 63 16.018 9.556 0.768 468 HB3 CYS 63 HB3 CYS 63 16.416 7.928 1.300 469 H LEU 64 H LEU 64 14.075 9.156 4.216 470 HA LEU 64 HA LEU 64 15.000 7.126 6.037 471 HB2 LEU 64 HB2 LEU 64 12.257 8.172 5.357 472 HB3 LEU 64 HB3 LEU 64 12.500 6.867 6.498 473 HG LEU 64 HG LEU 64 12.184 8.844 7.766 474 HD11 LEU 64 HD11 LEU 64 15.146 8.316 7.671 475 HD12 LEU 64 HD12 LEU 64 13.962 7.365 8.565 476 HD13 LEU 64 HD13 LEU 64 14.251 9.048 9.002 477 HD21 LEU 64 HD21 LEU 64 13.530 10.866 7.475 478 HD22 LEU 64 HD22 LEU 64 12.586 10.492 6.032 479 HD23 LEU 64 HD23 LEU 64 14.314 10.138 6.071 480 H GLU 65 H GLU 65 15.861 5.606 4.666 481 HA GLU 65 HA GLU 65 14.323 4.742 2.385 482 HB2 GLU 65 HB2 GLU 65 16.399 3.472 1.799 483 HB3 GLU 65 HB3 GLU 65 16.608 5.209 1.935 484 HG2 GLU 65 HG2 GLU 65 17.777 5.031 3.947 485 HG3 GLU 65 HG3 GLU 65 17.228 3.381 4.224 486 H GLU 66 H GLU 66 12.670 3.610 3.436 487 HA GLU 66 HA GLU 66 13.053 0.880 3.022 488 HB2 GLU 66 HB2 GLU 66 13.123 1.702 5.876 489 HB3 GLU 66 HB3 GLU 66 12.120 0.313 5.476 490 HG2 GLU 66 HG2 GLU 66 14.253 -0.474 4.186 491 HG3 GLU 66 HG3 GLU 66 15.070 0.648 5.267 492 H GLN 67 H GLN 67 11.317 0.759 1.802 493 HA GLN 67 HA GLN 67 8.737 1.521 2.974 494 HB2 GLN 67 HB2 GLN 67 9.316 2.457 0.731 495 HB3 GLN 67 HB3 GLN 67 9.352 0.816 0.100 496 HG2 GLN 67 HG2 GLN 67 7.057 0.563 0.266 497 HG3 GLN 67 HG3 GLN 67 6.901 1.841 1.471 498 HE21 GLN 67 HE21 GLN 67 7.216 1.132 -1.912 499 HE22 GLN 67 HE22 GLN 67 6.861 2.720 -2.483 500 H LEU 68 H LEU 68 9.927 -1.046 0.795 501 HA LEU 68 HA LEU 68 9.460 -3.143 2.598 502 HB2 LEU 68 HB2 LEU 68 7.066 -2.228 1.697 503 HB3 LEU 68 HB3 LEU 68 7.424 -3.436 0.475 504 HG LEU 68 HG LEU 68 6.128 -4.570 2.053 505 HD11 LEU 68 HD11 LEU 68 8.102 -5.843 1.444 506 HD12 LEU 68 HD12 LEU 68 7.604 -6.205 3.096 507 HD13 LEU 68 HD13 LEU 68 8.987 -5.152 2.802 508 HD21 LEU 68 HD21 LEU 68 7.802 -3.326 4.230 509 HD22 LEU 68 HD22 LEU 68 6.511 -4.502 4.474 510 HD23 LEU 68 HD23 LEU 68 6.138 -2.910 3.816 511 H GLY 69 H GLY 69 11.660 -3.090 1.332 512 HA2 GLY 69 HA2 GLY 69 12.119 -5.392 0.125 513 HA3 GLY 69 HA3 GLY 69 11.402 -4.513 -1.211 514 H LEU 70 H LEU 70 13.699 -5.383 -1.823 515 HA LEU 70 HA LEU 70 15.672 -3.255 -1.320 516 HB2 LEU 70 HB2 LEU 70 16.053 -5.825 -0.818 517 HB3 LEU 70 HB3 LEU 70 16.359 -5.902 -2.539 518 HG LEU 70 HG LEU 70 17.861 -4.008 -0.741 519 HD11 LEU 70 HD11 LEU 70 18.639 -6.816 -1.514 520 HD12 LEU 70 HD12 LEU 70 18.144 -6.295 0.096 521 HD13 LEU 70 HD13 LEU 70 19.630 -5.666 -0.616 522 HD21 LEU 70 HD21 LEU 70 19.514 -4.085 -2.524 523 HD22 LEU 70 HD22 LEU 70 17.944 -3.574 -3.147 524 HD23 LEU 70 HD23 LEU 70 18.509 -5.221 -3.423 525 H CYS 71 H CYS 71 16.626 -2.245 -3.056 526 HA CYS 71 HA CYS 71 14.936 -2.120 -5.386 527 HB2 CYS 71 HB2 CYS 71 17.041 -0.430 -4.171 528 HB3 CYS 71 HB3 CYS 71 16.790 -0.273 -5.908 529 HA PRO 72 HA PRO 72 17.102 -3.998 -8.803 530 HB2 PRO 72 HB2 PRO 72 17.889 -1.164 -9.422 531 HB3 PRO 72 HB3 PRO 72 17.388 -2.454 -10.529 532 HG2 PRO 72 HG2 PRO 72 15.654 -0.587 -9.728 533 HG3 PRO 72 HG3 PRO 72 15.156 -2.274 -9.944 534 HD2 PRO 72 HD2 PRO 72 15.485 -0.724 -7.462 535 HD3 PRO 72 HD3 PRO 72 14.557 -2.206 -7.751 536 H LEU 73 H LEU 73 19.017 -1.183 -7.629 537 HA LEU 73 HA LEU 73 21.475 -2.645 -7.907 538 HB2 LEU 73 HB2 LEU 73 20.929 -0.083 -6.433 539 HB3 LEU 73 HB3 LEU 73 22.508 -0.770 -6.664 540 HG LEU 73 HG LEU 73 22.491 0.862 -8.254 541 HD11 LEU 73 HD11 LEU 73 23.035 -1.268 -9.270 542 HD12 LEU 73 HD12 LEU 73 22.296 -0.158 -10.425 543 HD13 LEU 73 HD13 LEU 73 21.348 -1.479 -9.742 544 HD21 LEU 73 HD21 LEU 73 19.583 0.267 -8.709 545 HD22 LEU 73 HD22 LEU 73 20.533 1.338 -9.737 546 HD23 LEU 73 HD23 LEU 73 20.312 1.726 -8.030 547 H LYS 74 H LYS 74 22.892 -3.078 -6.122 548 HA LYS 74 HA LYS 74 21.414 -4.837 -4.407 549 HB2 LYS 74 HB2 LYS 74 23.416 -5.650 -5.489 550 HB3 LYS 74 HB3 LYS 74 24.383 -4.390 -4.736 551 HG2 LYS 74 HG2 LYS 74 24.745 -6.494 -3.619 552 HG3 LYS 74 HG3 LYS 74 23.920 -5.375 -2.534 553 HD2 LYS 74 HD2 LYS 74 21.762 -6.476 -3.212 554 HD3 LYS 74 HD3 LYS 74 22.729 -7.693 -4.047 555 HE2 LYS 74 HE2 LYS 74 22.769 -7.050 -1.102 556 HE3 LYS 74 HE3 LYS 74 22.115 -8.501 -1.855 557 HZ1 LYS 74 HZ1 LYS 74 24.942 -7.711 -1.834 558 HZ2 LYS 74 HZ2 LYS 74 24.351 -9.029 -2.579 559 HZ3 LYS 74 HZ3 LYS 74 24.278 -8.915 -0.962 560 H ARG 75 H ARG 75 23.195 -1.858 -3.969 561 HA ARG 75 HA ARG 75 22.946 -2.148 -1.062 562 HB2 ARG 75 HB2 ARG 75 24.602 -0.230 -2.703 563 HB3 ARG 75 HB3 ARG 75 24.556 -0.273 -0.945 564 HG2 ARG 75 HG2 ARG 75 25.423 -2.559 -0.980 565 HG3 ARG 75 HG3 ARG 75 25.488 -2.500 -2.742 566 HD2 ARG 75 HD2 ARG 75 26.969 -0.638 -0.901 567 HD3 ARG 75 HD3 ARG 75 27.670 -2.067 -1.654 568 HE ARG 75 HE ARG 75 26.655 -0.594 -3.733 569 HH11 ARG 75 HH11 ARG 75 28.931 -0.011 -1.146 570 HH12 ARG 75 HH12 ARG 75 29.895 1.095 -2.070 571 HH21 ARG 75 HH21 ARG 75 27.933 0.854 -4.963 572 HH22 ARG 75 HH22 ARG 75 29.327 1.588 -4.238 573 H TRP 76 H TRP 76 21.008 -1.153 -3.323 574 HA TRP 76 HA TRP 76 20.265 1.396 -2.082 575 HB2 TRP 76 HB2 TRP 76 19.293 0.091 -4.630 576 HB3 TRP 76 HB3 TRP 76 18.696 1.619 -4.002 577 HD1 TRP 76 HD1 TRP 76 22.398 0.538 -4.344 578 HE1 TRP 76 HE1 TRP 76 23.565 2.209 -5.903 579 HE3 TRP 76 HE3 TRP 76 18.399 3.444 -5.532 580 HZ2 TRP 76 HZ2 TRP 76 22.861 4.466 -7.442 581 HZ3 TRP 76 HZ3 TRP 76 18.712 5.360 -7.020 582 HH2 TRP 76 HH2 TRP 76 20.911 5.862 -7.965 583 H THR 77 H THR 77 18.472 1.593 -0.904 584 HA THR 77 HA THR 77 16.854 -0.815 -0.486 585 HB THR 77 HB THR 77 16.863 1.757 1.101 586 HG1 THR 77 HG1 THR 77 18.548 0.980 2.104 587 HG21 THR 77 HG21 THR 77 14.790 0.489 1.313 588 HG22 THR 77 HG22 THR 77 15.721 0.418 2.809 589 HG23 THR 77 HG23 THR 77 15.708 -0.964 1.713 590 H CYS 78 H CYS 78 14.685 -0.904 -0.923 591 HA CYS 78 HA CYS 78 13.501 1.067 -2.615 592 HB2 CYS 78 HB2 CYS 78 12.905 -1.348 -2.715 593 HB3 CYS 78 HB3 CYS 78 12.195 -1.222 -1.110 594 H CYS 79 H CYS 79 13.277 3.007 -1.706 595 HA CYS 79 HA CYS 79 12.656 3.232 1.126 596 HB2 CYS 79 HB2 CYS 79 14.514 4.478 0.481 597 HB3 CYS 79 HB3 CYS 79 13.730 5.104 -0.965 598 H LYS 80 H LYS 80 11.039 4.589 1.960 599 HA LYS 80 HA LYS 80 8.669 4.555 0.277 600 HB2 LYS 80 HB2 LYS 80 8.570 3.491 2.505 601 HB3 LYS 80 HB3 LYS 80 8.921 5.045 3.249 602 HG2 LYS 80 HG2 LYS 80 6.844 5.922 2.703 603 HG3 LYS 80 HG3 LYS 80 6.564 4.726 1.438 604 HD2 LYS 80 HD2 LYS 80 5.157 4.189 3.281 605 HD3 LYS 80 HD3 LYS 80 6.440 2.985 3.214 606 HE2 LYS 80 HE2 LYS 80 6.095 3.629 5.506 607 HE3 LYS 80 HE3 LYS 80 7.655 4.246 4.963 608 HZ1 LYS 80 HZ1 LYS 80 6.556 6.383 4.605 609 HZ2 LYS 80 HZ2 LYS 80 6.506 5.926 6.162 610 HZ3 LYS 80 HZ3 LYS 80 5.176 5.791 5.235 611 H GLU 81 H GLU 81 8.898 6.315 -0.989 612 HA GLU 81 HA GLU 81 8.429 8.431 -1.635 613 HB2 GLU 81 HB2 GLU 81 7.057 8.519 1.053 614 HB3 GLU 81 HB3 GLU 81 6.779 9.636 -0.280 615 HG2 GLU 81 HG2 GLU 81 5.796 7.967 -1.622 616 HG3 GLU 81 HG3 GLU 81 6.392 6.677 -0.579 617 H ILE 82 H ILE 82 10.424 9.308 -1.755 618 HA ILE 82 HA ILE 82 12.005 10.163 0.421 619 HB ILE 82 HB ILE 82 12.135 11.161 -2.431 620 HG12 ILE 82 HG12 ILE 82 13.610 8.828 -1.187 621 HG13 ILE 82 HG13 ILE 82 12.224 8.669 -2.262 622 HG21 ILE 82 HG21 ILE 82 14.498 11.584 -1.901 623 HG22 ILE 82 HG22 ILE 82 14.202 11.078 -0.238 624 HG23 ILE 82 HG23 ILE 82 13.407 12.517 -0.876 625 HD11 ILE 82 HD11 ILE 82 14.870 9.915 -2.983 626 HD12 ILE 82 HD12 ILE 82 13.486 9.721 -4.058 627 HD13 ILE 82 HD13 ILE 82 14.327 8.301 -3.438 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 -18.440 2.414 -3.574 2 H2 LEU 1 H2 LEU 1 -17.773 2.840 -4.991 3 H3 LEU 1 H3 LEU 1 -18.514 3.958 -4.078 4 HA LEU 1 HA LEU 1 -16.888 3.746 -2.360 5 HB2 LEU 1 HB2 LEU 1 -15.785 1.728 -4.289 6 HB3 LEU 1 HB3 LEU 1 -14.790 2.464 -3.057 7 HG LEU 1 HG LEU 1 -17.257 0.847 -2.539 8 HD11 LEU 1 HD11 LEU 1 -14.356 0.093 -2.325 9 HD12 LEU 1 HD12 LEU 1 -15.530 -0.561 -3.466 10 HD13 LEU 1 HD13 LEU 1 -15.700 -0.884 -1.741 11 HD21 LEU 1 HD21 LEU 1 -16.468 0.837 -0.214 12 HD22 LEU 1 HD22 LEU 1 -16.833 2.464 -0.786 13 HD23 LEU 1 HD23 LEU 1 -15.159 1.924 -0.673 14 HA PRO 2 HA PRO 2 -14.565 7.008 -4.292 15 HB2 PRO 2 HB2 PRO 2 -12.123 5.839 -3.045 16 HB3 PRO 2 HB3 PRO 2 -12.762 7.485 -2.943 17 HG2 PRO 2 HG2 PRO 2 -13.015 5.843 -0.882 18 HG3 PRO 2 HG3 PRO 2 -14.376 6.893 -1.358 19 HD2 PRO 2 HD2 PRO 2 -13.950 3.973 -1.912 20 HD3 PRO 2 HD3 PRO 2 -15.431 4.804 -1.400 21 H ARG 3 H ARG 3 -12.746 7.427 -5.762 22 HA ARG 3 HA ARG 3 -13.034 5.998 -8.059 23 HB2 ARG 3 HB2 ARG 3 -12.060 8.245 -7.941 24 HB3 ARG 3 HB3 ARG 3 -10.596 7.577 -7.234 25 HG2 ARG 3 HG2 ARG 3 -10.386 6.183 -9.344 26 HG3 ARG 3 HG3 ARG 3 -11.637 7.226 -10.024 27 HD2 ARG 3 HD2 ARG 3 -10.238 9.183 -9.590 28 HD3 ARG 3 HD3 ARG 3 -8.992 8.142 -8.908 29 HE ARG 3 HE ARG 3 -9.813 8.188 -11.739 30 HH11 ARG 3 HH11 ARG 3 -7.485 7.333 -9.256 31 HH12 ARG 3 HH12 ARG 3 -6.210 7.023 -10.390 32 HH21 ARG 3 HH21 ARG 3 -8.138 7.752 -13.222 33 HH22 ARG 3 HH22 ARG 3 -6.578 7.262 -12.641 34 H ASP 4 H ASP 4 -10.431 5.560 -5.687 35 HA ASP 4 HA ASP 4 -9.436 3.313 -7.316 36 HB2 ASP 4 HB2 ASP 4 -7.938 5.204 -5.512 37 HB3 ASP 4 HB3 ASP 4 -7.230 3.753 -6.217 38 H THR 5 H THR 5 -11.363 3.519 -4.809 39 HA THR 5 HA THR 5 -9.892 2.007 -2.854 40 HB THR 5 HB THR 5 -12.833 2.661 -3.009 41 HG1 THR 5 HG1 THR 5 -10.616 3.738 -1.575 42 HG21 THR 5 HG21 THR 5 -11.227 1.404 -0.779 43 HG22 THR 5 HG22 THR 5 -12.522 0.638 -1.696 44 HG23 THR 5 HG23 THR 5 -12.881 1.992 -0.625 45 H SER 6 H SER 6 -12.630 1.233 -5.015 46 HA SER 6 HA SER 6 -12.746 -1.506 -4.355 47 HB2 SER 6 HB2 SER 6 -14.568 -0.294 -5.484 48 HB3 SER 6 HB3 SER 6 -13.565 -0.122 -6.921 49 HG SER 6 HG SER 6 -13.839 -2.198 -7.391 50 H ARG 7 H ARG 7 -10.758 0.361 -6.440 51 HA ARG 7 HA ARG 7 -9.515 -1.754 -7.883 52 HB2 ARG 7 HB2 ARG 7 -9.349 0.398 -8.826 53 HB3 ARG 7 HB3 ARG 7 -8.888 1.127 -7.298 54 HG2 ARG 7 HG2 ARG 7 -6.796 -0.499 -7.645 55 HG3 ARG 7 HG3 ARG 7 -7.236 -0.222 -9.332 56 HD2 ARG 7 HD2 ARG 7 -7.151 2.193 -8.956 57 HD3 ARG 7 HD3 ARG 7 -6.731 1.916 -7.262 58 HE ARG 7 HE ARG 7 -4.834 0.586 -8.757 59 HH11 ARG 7 HH11 ARG 7 -5.950 3.902 -8.563 60 HH12 ARG 7 HH12 ARG 7 -4.367 4.576 -8.823 61 HH21 ARG 7 HH21 ARG 7 -2.749 1.487 -9.110 62 HH22 ARG 7 HH22 ARG 7 -2.560 3.210 -9.119 63 H CYS 8 H CYS 8 -8.549 0.197 -5.082 64 HA CYS 8 HA CYS 8 -6.012 -1.018 -4.816 65 HB2 CYS 8 HB2 CYS 8 -7.101 1.254 -3.908 66 HB3 CYS 8 HB3 CYS 8 -7.250 0.260 -2.463 67 H VAL 9 H VAL 9 -9.133 -1.631 -3.337 68 HA VAL 9 HA VAL 9 -8.309 -2.997 -1.069 69 HB VAL 9 HB VAL 9 -10.590 -2.212 -1.387 70 HG11 VAL 9 HG11 VAL 9 -12.163 -3.408 -2.816 71 HG12 VAL 9 HG12 VAL 9 -10.852 -4.436 -3.395 72 HG13 VAL 9 HG13 VAL 9 -10.836 -2.706 -3.747 73 HG21 VAL 9 HG21 VAL 9 -11.787 -4.125 -0.468 74 HG22 VAL 9 HG22 VAL 9 -10.184 -3.977 0.253 75 HG23 VAL 9 HG23 VAL 9 -10.485 -5.197 -0.983 76 H GLY 10 H GLY 10 -8.566 -4.150 -4.371 77 HA2 GLY 10 HA2 GLY 10 -8.070 -6.898 -3.530 78 HA3 GLY 10 HA3 GLY 10 -8.293 -6.338 -5.182 79 H TYR 11 H TYR 11 -6.290 -4.135 -4.534 80 HA TYR 11 HA TYR 11 -4.007 -5.714 -5.413 81 HB2 TYR 11 HB2 TYR 11 -4.581 -2.756 -5.499 82 HB3 TYR 11 HB3 TYR 11 -3.044 -3.459 -5.980 83 HD1 TYR 11 HD1 TYR 11 -4.075 -5.926 -7.351 84 HD2 TYR 11 HD2 TYR 11 -5.346 -1.877 -7.529 85 HE1 TYR 11 HE1 TYR 11 -4.947 -6.310 -9.604 86 HE2 TYR 11 HE2 TYR 11 -6.230 -2.249 -9.792 87 HH TYR 11 HH TYR 11 -6.615 -5.345 -11.132 88 H HIS 12 H HIS 12 -4.388 -2.828 -3.339 89 HA HIS 12 HA HIS 12 -2.000 -3.749 -1.871 90 HB2 HIS 12 HB2 HIS 12 -2.808 -0.864 -1.919 91 HB3 HIS 12 HB3 HIS 12 -1.213 -1.568 -1.694 92 HD1 HIS 12 HD1 HIS 12 -2.801 0.462 -3.971 93 HD2 HIS 12 HD2 HIS 12 -0.604 -3.036 -4.404 94 HE1 HIS 12 HE1 HIS 12 -2.037 0.436 -6.363 95 HE2 HIS 12 HE2 HIS 12 -0.490 -1.550 -6.520 96 H GLY 13 H GLY 13 -5.038 -4.015 -1.462 97 HA2 GLY 13 HA2 GLY 13 -5.883 -4.672 0.669 98 HA3 GLY 13 HA3 GLY 13 -4.841 -3.466 1.414 99 H TYR 14 H TYR 14 -7.210 -3.343 2.373 100 HA TYR 14 HA TYR 14 -9.140 -1.986 0.735 101 HB2 TYR 14 HB2 TYR 14 -10.445 -1.910 2.897 102 HB3 TYR 14 HB3 TYR 14 -9.995 -3.519 2.344 103 HD1 TYR 14 HD1 TYR 14 -8.819 -4.966 3.760 104 HD2 TYR 14 HD2 TYR 14 -8.968 -0.820 4.671 105 HE1 TYR 14 HE1 TYR 14 -7.779 -5.414 5.944 106 HE2 TYR 14 HE2 TYR 14 -7.928 -1.248 6.851 107 HH TYR 14 HH TYR 14 -7.714 -3.136 8.432 108 H CYS 15 H CYS 15 -10.277 -0.005 1.885 109 HA CYS 15 HA CYS 15 -8.108 1.919 2.405 110 HB2 CYS 15 HB2 CYS 15 -10.669 2.370 0.865 111 HB3 CYS 15 HB3 CYS 15 -9.455 3.594 1.207 112 H ILE 16 H ILE 16 -8.399 1.773 4.665 113 HA ILE 16 HA ILE 16 -10.948 2.738 5.716 114 HB ILE 16 HB ILE 16 -9.963 2.443 7.946 115 HG12 ILE 16 HG12 ILE 16 -7.542 1.488 6.418 116 HG13 ILE 16 HG13 ILE 16 -7.637 2.902 7.450 117 HG21 ILE 16 HG21 ILE 16 -9.807 0.069 6.116 118 HG22 ILE 16 HG22 ILE 16 -11.196 0.619 7.051 119 HG23 ILE 16 HG23 ILE 16 -9.780 -0.036 7.875 120 HD11 ILE 16 HD11 ILE 16 -7.904 0.052 8.370 121 HD12 ILE 16 HD12 ILE 16 -7.959 1.486 9.394 122 HD13 ILE 16 HD13 ILE 16 -6.474 1.069 8.539 123 H ARG 17 H ARG 17 -10.643 4.495 7.506 124 HA ARG 17 HA ARG 17 -9.775 6.782 6.098 125 HB2 ARG 17 HB2 ARG 17 -11.536 7.052 7.678 126 HB3 ARG 17 HB3 ARG 17 -10.582 6.355 8.978 127 HG2 ARG 17 HG2 ARG 17 -9.100 8.288 8.949 128 HG3 ARG 17 HG3 ARG 17 -10.028 8.985 7.619 129 HD2 ARG 17 HD2 ARG 17 -11.982 9.162 9.013 130 HD3 ARG 17 HD3 ARG 17 -11.165 8.318 10.328 131 HE ARG 17 HE ARG 17 -9.619 10.272 10.387 132 HH11 ARG 17 HH11 ARG 17 -12.837 10.626 9.049 133 HH12 ARG 17 HH12 ARG 17 -12.945 12.315 9.430 134 HH21 ARG 17 HH21 ARG 17 -9.759 12.495 10.887 135 HH22 ARG 17 HH22 ARG 17 -11.198 13.376 10.482 136 H SER 18 H SER 18 -8.278 4.917 8.745 137 HA SER 18 HA SER 18 -6.062 6.849 8.694 138 HB2 SER 18 HB2 SER 18 -7.292 5.412 11.045 139 HB3 SER 18 HB3 SER 18 -5.839 6.408 11.138 140 HG SER 18 HG SER 18 -8.241 7.252 11.454 141 H LYS 19 H LYS 19 -4.073 5.897 9.850 142 HA LYS 19 HA LYS 19 -3.340 3.554 8.297 143 HB2 LYS 19 HB2 LYS 19 -1.566 5.135 10.150 144 HB3 LYS 19 HB3 LYS 19 -1.097 4.177 8.753 145 HG2 LYS 19 HG2 LYS 19 -1.822 5.767 7.248 146 HG3 LYS 19 HG3 LYS 19 -2.890 6.535 8.421 147 HD2 LYS 19 HD2 LYS 19 -0.603 6.977 9.669 148 HD3 LYS 19 HD3 LYS 19 0.038 6.838 8.028 149 HE2 LYS 19 HE2 LYS 19 -1.532 8.551 7.272 150 HE3 LYS 19 HE3 LYS 19 -2.184 8.676 8.904 151 HZ1 LYS 19 HZ1 LYS 19 -0.600 10.404 8.512 152 HZ2 LYS 19 HZ2 LYS 19 0.556 9.344 8.089 153 HZ3 LYS 19 HZ3 LYS 19 0.016 9.384 9.620 154 H VAL 20 H VAL 20 -5.062 3.519 10.708 155 HA VAL 20 HA VAL 20 -3.668 2.208 12.838 156 HB VAL 20 HB VAL 20 -6.637 2.011 12.434 157 HG11 VAL 20 HG11 VAL 20 -5.659 0.837 14.325 158 HG12 VAL 20 HG12 VAL 20 -6.675 2.171 14.872 159 HG13 VAL 20 HG13 VAL 20 -4.921 2.335 14.888 160 HG21 VAL 20 HG21 VAL 20 -5.156 4.444 13.423 161 HG22 VAL 20 HG22 VAL 20 -6.902 4.202 13.506 162 HG23 VAL 20 HG23 VAL 20 -6.102 4.319 11.938 163 H CYS 21 H CYS 21 -3.264 0.948 10.297 164 HA CYS 21 HA CYS 21 -4.862 -1.232 9.708 165 HB2 CYS 21 HB2 CYS 21 -1.860 -1.127 9.443 166 HB3 CYS 21 HB3 CYS 21 -2.990 -2.048 8.454 167 HA PRO 22 HA PRO 22 -4.073 -4.030 13.140 168 HB2 PRO 22 HB2 PRO 22 -5.335 -6.170 12.042 169 HB3 PRO 22 HB3 PRO 22 -6.206 -4.829 12.790 170 HG2 PRO 22 HG2 PRO 22 -5.677 -5.366 9.896 171 HG3 PRO 22 HG3 PRO 22 -7.166 -4.801 10.678 172 HD2 PRO 22 HD2 PRO 22 -5.468 -3.132 9.390 173 HD3 PRO 22 HD3 PRO 22 -6.428 -2.622 10.791 174 H LYS 23 H LYS 23 -3.413 -6.569 13.026 175 HA LYS 23 HA LYS 23 -1.216 -6.700 11.078 176 HB2 LYS 23 HB2 LYS 23 -1.355 -7.627 13.926 177 HB3 LYS 23 HB3 LYS 23 -0.218 -8.357 12.807 178 HG2 LYS 23 HG2 LYS 23 0.989 -6.703 13.937 179 HG3 LYS 23 HG3 LYS 23 0.632 -6.019 12.355 180 HD2 LYS 23 HD2 LYS 23 0.162 -4.254 13.768 181 HD3 LYS 23 HD3 LYS 23 -1.426 -4.985 13.545 182 HE2 LYS 23 HE2 LYS 23 0.388 -5.594 15.876 183 HE3 LYS 23 HE3 LYS 23 -0.858 -4.353 15.909 184 HZ1 LYS 23 HZ1 LYS 23 -1.708 -6.329 16.853 185 HZ2 LYS 23 HZ2 LYS 23 -1.275 -7.236 15.580 186 HZ3 LYS 23 HZ3 LYS 23 -2.457 -6.131 15.423 187 HA PRO 24 HA PRO 24 0.080 -7.847 10.278 188 HB2 PRO 24 HB2 PRO 24 0.727 -9.274 8.121 189 HB3 PRO 24 HB3 PRO 24 0.971 -9.919 9.748 190 HG2 PRO 24 HG2 PRO 24 -1.165 -10.537 7.763 191 HG3 PRO 24 HG3 PRO 24 -0.345 -11.617 8.901 192 HD2 PRO 24 HD2 PRO 24 -2.857 -10.454 9.272 193 HD3 PRO 24 HD3 PRO 24 -1.853 -11.174 10.543 194 H PHE 25 H PHE 25 -0.755 -5.878 9.587 195 HA PHE 25 HA PHE 25 -1.301 -5.700 6.725 196 HB2 PHE 25 HB2 PHE 25 -3.103 -4.559 8.876 197 HB3 PHE 25 HB3 PHE 25 -3.104 -3.960 7.223 198 HD1 PHE 25 HD1 PHE 25 -4.496 -4.911 5.668 199 HD2 PHE 25 HD2 PHE 25 -3.532 -7.090 9.194 200 HE1 PHE 25 HE1 PHE 25 -6.123 -6.644 5.037 201 HE2 PHE 25 HE2 PHE 25 -5.164 -8.821 8.570 202 HZ PHE 25 HZ PHE 25 -6.450 -8.593 6.489 203 H ALA 26 H ALA 26 -0.667 -3.735 5.816 204 HA ALA 26 HA ALA 26 0.705 -1.908 7.682 205 HB1 ALA 26 HB1 ALA 26 2.586 -1.693 6.274 206 HB2 ALA 26 HB2 ALA 26 1.800 -2.565 4.964 207 HB3 ALA 26 HB3 ALA 26 2.289 -3.425 6.423 208 H ALA 27 H ALA 27 0.478 0.208 7.327 209 HA ALA 27 HA ALA 27 -1.474 1.236 5.595 210 HB1 ALA 27 HB1 ALA 27 0.823 2.614 6.984 211 HB2 ALA 27 HB2 ALA 27 -0.799 2.378 7.632 212 HB3 ALA 27 HB3 ALA 27 -0.551 3.429 6.237 213 H PHE 28 H PHE 28 -1.172 0.761 3.457 214 HA PHE 28 HA PHE 28 1.419 1.396 2.266 215 HB2 PHE 28 HB2 PHE 28 -0.622 -0.571 1.747 216 HB3 PHE 28 HB3 PHE 28 -0.308 0.359 0.295 217 HD1 PHE 28 HD1 PHE 28 2.286 0.743 -0.201 218 HD2 PHE 28 HD2 PHE 28 0.630 -2.408 2.130 219 HE1 PHE 28 HE1 PHE 28 4.311 -0.606 -0.580 220 HE2 PHE 28 HE2 PHE 28 2.630 -3.763 1.750 221 HZ PHE 28 HZ PHE 28 4.490 -2.861 0.398 222 H GLY 29 H GLY 29 1.289 3.597 2.340 223 HA2 GLY 29 HA2 GLY 29 0.811 5.689 1.579 224 HA3 GLY 29 HA3 GLY 29 0.489 4.896 0.056 225 H THR 30 H THR 30 -1.231 5.854 -0.685 226 HA THR 30 HA THR 30 -3.719 5.547 0.819 227 HB THR 30 HB THR 30 -4.471 7.791 0.069 228 HG1 THR 30 HG1 THR 30 -2.072 7.677 -1.269 229 HG21 THR 30 HG21 THR 30 -3.569 7.619 2.306 230 HG22 THR 30 HG22 THR 30 -3.035 9.137 1.585 231 HG23 THR 30 HG23 THR 30 -1.923 7.771 1.689 232 H CYS 31 H CYS 31 -5.537 5.233 -0.567 233 HA CYS 31 HA CYS 31 -4.718 4.168 -3.140 234 HB2 CYS 31 HB2 CYS 31 -7.044 3.238 -3.193 235 HB3 CYS 31 HB3 CYS 31 -6.052 2.689 -1.848 236 H SER 32 H SER 32 -7.641 5.983 -2.174 237 HA SER 32 HA SER 32 -7.551 7.246 -4.821 238 HB2 SER 32 HB2 SER 32 -9.602 5.912 -4.046 239 HB3 SER 32 HB3 SER 32 -9.904 7.232 -2.924 240 HG SER 32 HG SER 32 -9.479 8.295 -5.315 241 H TRP 33 H TRP 33 -8.949 8.224 -1.709 242 HA TRP 33 HA TRP 33 -7.776 10.872 -2.025 243 HB2 TRP 33 HB2 TRP 33 -9.439 10.082 0.340 244 HB3 TRP 33 HB3 TRP 33 -9.319 11.641 -0.460 245 HD1 TRP 33 HD1 TRP 33 -11.917 9.508 0.212 246 HE1 TRP 33 HE1 TRP 33 -13.659 9.279 -1.662 247 HE3 TRP 33 HE3 TRP 33 -9.156 11.301 -3.713 248 HZ2 TRP 33 HZ2 TRP 33 -13.848 9.779 -4.420 249 HZ3 TRP 33 HZ3 TRP 33 -10.210 11.389 -5.936 250 HH2 TRP 33 HH2 TRP 33 -12.497 10.648 -6.278 251 H ARG 34 H ARG 34 -6.405 11.775 -0.427 252 HA ARG 34 HA ARG 34 -4.548 9.947 0.690 253 HB2 ARG 34 HB2 ARG 34 -3.944 12.214 -0.085 254 HB3 ARG 34 HB3 ARG 34 -4.873 12.903 1.239 255 HG2 ARG 34 HG2 ARG 34 -2.719 10.967 1.869 256 HG3 ARG 34 HG3 ARG 34 -2.279 12.593 1.389 257 HD2 ARG 34 HD2 ARG 34 -3.290 13.548 3.245 258 HD3 ARG 34 HD3 ARG 34 -4.311 12.139 3.532 259 HE ARG 34 HE ARG 34 -2.164 10.982 4.155 260 HH11 ARG 34 HH11 ARG 34 -2.519 14.448 4.503 261 HH12 ARG 34 HH12 ARG 34 -1.385 14.554 5.810 262 HH21 ARG 34 HH21 ARG 34 -0.680 11.118 5.861 263 HH22 ARG 34 HH22 ARG 34 -0.350 12.654 6.599 264 H GLN 35 H GLN 35 -7.303 11.628 1.889 265 HA GLN 35 HA GLN 35 -6.950 11.398 4.641 266 HB2 GLN 35 HB2 GLN 35 -9.445 11.483 4.759 267 HB3 GLN 35 HB3 GLN 35 -8.700 12.783 3.842 268 HG2 GLN 35 HG2 GLN 35 -9.318 11.762 1.780 269 HG3 GLN 35 HG3 GLN 35 -9.871 10.307 2.607 270 HE21 GLN 35 HE21 GLN 35 -11.833 10.320 3.670 271 HE22 GLN 35 HE22 GLN 35 -12.999 11.578 3.452 272 H LYS 36 H LYS 36 -7.256 8.851 2.478 273 HA LYS 36 HA LYS 36 -7.780 7.069 4.740 274 HB2 LYS 36 HB2 LYS 36 -8.955 5.504 3.126 275 HB3 LYS 36 HB3 LYS 36 -9.843 6.923 3.644 276 HG2 LYS 36 HG2 LYS 36 -8.623 7.797 1.356 277 HG3 LYS 36 HG3 LYS 36 -8.976 6.108 0.986 278 HD2 LYS 36 HD2 LYS 36 -11.007 8.046 2.081 279 HD3 LYS 36 HD3 LYS 36 -10.778 7.742 0.364 280 HE2 LYS 36 HE2 LYS 36 -12.630 6.451 1.157 281 HE3 LYS 36 HE3 LYS 36 -11.317 5.354 0.749 282 HZ1 LYS 36 HZ1 LYS 36 -12.349 4.728 2.792 283 HZ2 LYS 36 HZ2 LYS 36 -12.131 6.203 3.441 284 HZ3 LYS 36 HZ3 LYS 36 -10.847 5.256 3.132 285 H THR 37 H THR 37 -6.729 5.138 4.756 286 HA THR 37 HA THR 37 -4.278 5.130 3.147 287 HB THR 37 HB THR 37 -4.936 3.760 5.769 288 HG1 THR 37 HG1 THR 37 -4.690 6.144 5.704 289 HG21 THR 37 HG21 THR 37 -2.555 3.279 5.919 290 HG22 THR 37 HG22 THR 37 -2.282 4.037 4.350 291 HG23 THR 37 HG23 THR 37 -3.230 2.554 4.459 292 H CYS 38 H CYS 38 -3.535 3.224 2.134 293 HA CYS 38 HA CYS 38 -5.619 1.239 1.595 294 HB2 CYS 38 HB2 CYS 38 -4.196 2.452 -0.202 295 HB3 CYS 38 HB3 CYS 38 -2.898 1.383 0.304 296 H CYS 39 H CYS 39 -5.630 -0.307 3.162 297 HA CYS 39 HA CYS 39 -3.040 -1.136 4.290 298 HB2 CYS 39 HB2 CYS 39 -5.829 -1.371 5.426 299 HB3 CYS 39 HB3 CYS 39 -4.375 -1.988 6.201 300 H VAL 40 H VAL 40 -2.298 -2.843 3.222 301 HA VAL 40 HA VAL 40 -4.158 -4.999 2.517 302 HB VAL 40 HB VAL 40 -2.530 -4.055 0.805 303 HG11 VAL 40 HG11 VAL 40 -0.598 -3.888 2.255 304 HG12 VAL 40 HG12 VAL 40 -0.264 -4.854 0.820 305 HG13 VAL 40 HG13 VAL 40 -0.532 -5.645 2.373 306 HG21 VAL 40 HG21 VAL 40 -3.673 -6.104 0.364 307 HG22 VAL 40 HG22 VAL 40 -2.571 -7.002 1.412 308 HG23 VAL 40 HG23 VAL 40 -1.985 -6.315 -0.104 309 H ASP 41 H ASP 41 -3.839 -7.103 3.208 310 HA ASP 41 HA ASP 41 -2.504 -7.569 5.652 311 HB2 ASP 41 HB2 ASP 41 -4.341 -8.980 4.960 312 HB3 ASP 41 HB3 ASP 41 -3.465 -9.488 3.525 313 H THR 42 H THR 42 -0.410 -7.426 5.876 314 HA THR 42 HA THR 42 1.268 -7.796 3.509 315 HB THR 42 HB THR 42 2.948 -6.499 4.933 316 HG1 THR 42 HG1 THR 42 1.748 -6.912 6.925 317 HG21 THR 42 HG21 THR 42 0.354 -5.079 4.298 318 HG22 THR 42 HG22 THR 42 1.581 -5.497 3.104 319 HG23 THR 42 HG23 THR 42 1.961 -4.360 4.393 320 H THR 43 H THR 43 1.360 -10.130 3.747 321 HA THR 43 HA THR 43 3.399 -10.851 5.720 322 HB THR 43 HB THR 43 1.516 -12.225 6.150 323 HG1 THR 43 HG1 THR 43 3.148 -13.598 6.324 324 HG21 THR 43 HG21 THR 43 0.245 -13.422 4.584 325 HG22 THR 43 HG22 THR 43 1.447 -13.216 3.316 326 HG23 THR 43 HG23 THR 43 0.481 -11.837 3.846 327 H SER 44 H SER 44 2.375 -11.974 2.478 328 HA SER 44 HA SER 44 5.187 -12.258 1.742 329 HB2 SER 44 HB2 SER 44 3.554 -14.150 1.473 330 HB3 SER 44 HB3 SER 44 2.770 -13.208 0.209 331 HG SER 44 HG SER 44 4.729 -14.826 -0.144 332 H ASP 45 H ASP 45 2.163 -10.983 0.396 333 HA ASP 45 HA ASP 45 3.398 -9.914 -1.926 334 HB2 ASP 45 HB2 ASP 45 1.007 -10.738 -1.693 335 HB3 ASP 45 HB3 ASP 45 0.658 -9.217 -0.879 336 H PHE 46 H PHE 46 3.299 -8.797 1.186 337 HA PHE 46 HA PHE 46 2.796 -6.093 1.061 338 HB2 PHE 46 HB2 PHE 46 3.852 -5.895 3.146 339 HB3 PHE 46 HB3 PHE 46 3.154 -7.501 3.069 340 HD1 PHE 46 HD1 PHE 46 4.918 -9.137 1.772 341 HD2 PHE 46 HD2 PHE 46 5.786 -5.905 4.346 342 HE1 PHE 46 HE1 PHE 46 7.050 -10.212 2.363 343 HE2 PHE 46 HE2 PHE 46 7.936 -6.938 4.950 344 HZ PHE 46 HZ PHE 46 8.580 -9.101 3.955 345 H HIS 47 H HIS 47 5.278 -7.698 -0.408 346 HA HIS 47 HA HIS 47 7.331 -5.790 -0.483 347 HB2 HIS 47 HB2 HIS 47 6.543 -8.000 -2.351 348 HB3 HIS 47 HB3 HIS 47 7.871 -6.909 -2.745 349 HD1 HIS 47 HD1 HIS 47 9.816 -6.803 -0.847 350 HD2 HIS 47 HD2 HIS 47 7.251 -10.076 -0.736 351 HE1 HIS 47 HE1 HIS 47 10.957 -8.509 0.602 352 HE2 HIS 47 HE2 HIS 47 9.319 -10.417 0.782 353 H THR 48 H THR 48 4.306 -5.192 -1.334 354 HA THR 48 HA THR 48 3.972 -4.334 -3.880 355 HB THR 48 HB THR 48 2.959 -2.951 -1.421 356 HG1 THR 48 HG1 THR 48 2.366 -5.416 -2.588 357 HG21 THR 48 HG21 THR 48 1.777 -3.158 -4.188 358 HG22 THR 48 HG22 THR 48 2.420 -1.698 -3.427 359 HG23 THR 48 HG23 THR 48 0.964 -2.464 -2.784 360 H CYS 49 H CYS 49 6.329 -2.914 -1.911 361 HA CYS 49 HA CYS 49 6.044 -0.208 -2.152 362 HB2 CYS 49 HB2 CYS 49 8.402 0.020 -1.830 363 HB3 CYS 49 HB3 CYS 49 7.879 -1.392 -0.926 364 H GLN 50 H GLN 50 7.718 -2.261 -4.597 365 HA GLN 50 HA GLN 50 8.305 -0.119 -6.316 366 HB2 GLN 50 HB2 GLN 50 8.763 -1.797 -8.022 367 HB3 GLN 50 HB3 GLN 50 9.481 -2.239 -6.491 368 HG2 GLN 50 HG2 GLN 50 6.854 -3.347 -7.420 369 HG3 GLN 50 HG3 GLN 50 8.403 -4.093 -7.816 370 HE21 GLN 50 HE21 GLN 50 6.128 -5.044 -6.189 371 HE22 GLN 50 HE22 GLN 50 6.793 -5.401 -4.626 372 H ASP 51 H ASP 51 5.410 -1.960 -5.859 373 HA ASP 51 HA ASP 51 4.276 -1.386 -8.411 374 HB2 ASP 51 HB2 ASP 51 3.565 -3.314 -6.996 375 HB3 ASP 51 HB3 ASP 51 2.844 -2.175 -5.863 376 H LYS 52 H LYS 52 4.139 0.083 -5.213 377 HA LYS 52 HA LYS 52 2.259 2.117 -5.918 378 HB2 LYS 52 HB2 LYS 52 4.195 1.779 -3.658 379 HB3 LYS 52 HB3 LYS 52 3.364 3.306 -3.895 380 HG2 LYS 52 HG2 LYS 52 1.256 1.673 -3.940 381 HG3 LYS 52 HG3 LYS 52 2.350 0.713 -2.933 382 HD2 LYS 52 HD2 LYS 52 1.263 2.025 -1.361 383 HD3 LYS 52 HD3 LYS 52 2.739 2.938 -1.660 384 HE2 LYS 52 HE2 LYS 52 -0.038 3.506 -2.685 385 HE3 LYS 52 HE3 LYS 52 0.935 4.486 -1.611 386 HZ1 LYS 52 HZ1 LYS 52 2.404 4.967 -3.429 387 HZ2 LYS 52 HZ2 LYS 52 0.881 5.363 -3.841 388 HZ3 LYS 52 HZ3 LYS 52 1.549 4.009 -4.435 389 H GLY 53 H GLY 53 5.554 1.606 -6.511 390 HA2 GLY 53 HA2 GLY 53 6.682 3.180 -8.036 391 HA3 GLY 53 HA3 GLY 53 6.000 4.472 -7.054 392 H GLY 54 H GLY 54 7.775 1.465 -6.451 393 HA2 GLY 54 HA2 GLY 54 9.223 2.758 -4.286 394 HA3 GLY 54 HA3 GLY 54 9.248 1.048 -4.673 395 H HIS 55 H HIS 55 10.927 3.860 -4.769 396 HA HIS 55 HA HIS 55 12.545 3.078 -7.089 397 HB2 HIS 55 HB2 HIS 55 12.356 5.707 -5.612 398 HB3 HIS 55 HB3 HIS 55 13.465 5.394 -6.943 399 HD1 HIS 55 HD1 HIS 55 12.589 5.809 -9.242 400 HD2 HIS 55 HD2 HIS 55 9.544 5.506 -6.423 401 HE1 HIS 55 HE1 HIS 55 10.477 6.387 -10.467 402 HE2 HIS 55 HE2 HIS 55 8.635 6.001 -8.800 403 H CYS 56 H CYS 56 14.842 3.097 -6.920 404 HA CYS 56 HA CYS 56 15.714 2.298 -4.248 405 HB2 CYS 56 HB2 CYS 56 16.814 1.755 -6.999 406 HB3 CYS 56 HB3 CYS 56 17.731 1.409 -5.536 407 H VAL 57 H VAL 57 16.694 3.752 -3.076 408 HA VAL 57 HA VAL 57 18.386 5.733 -4.440 409 HB VAL 57 HB VAL 57 17.747 7.422 -2.848 410 HG11 VAL 57 HG11 VAL 57 15.306 6.067 -3.960 411 HG12 VAL 57 HG12 VAL 57 16.364 7.178 -4.828 412 HG13 VAL 57 HG13 VAL 57 15.418 7.752 -3.453 413 HG21 VAL 57 HG21 VAL 57 16.016 5.311 -1.574 414 HG22 VAL 57 HG22 VAL 57 15.961 7.031 -1.187 415 HG23 VAL 57 HG23 VAL 57 17.425 6.101 -0.865 416 H SER 58 H SER 58 20.313 6.180 -3.549 417 HA SER 58 HA SER 58 21.436 4.310 -1.717 418 HB2 SER 58 HB2 SER 58 23.497 5.472 -2.132 419 HB3 SER 58 HB3 SER 58 22.620 5.479 -3.653 420 HG SER 58 HG SER 58 23.130 7.542 -3.499 421 HA PRO 59 HA PRO 59 20.761 6.448 2.094 422 HB2 PRO 59 HB2 PRO 59 23.181 6.290 3.349 423 HB3 PRO 59 HB3 PRO 59 22.070 4.924 3.204 424 HG2 PRO 59 HG2 PRO 59 24.489 5.583 1.573 425 HG3 PRO 59 HG3 PRO 59 23.952 4.013 2.194 426 HD2 PRO 59 HD2 PRO 59 23.569 4.765 -0.369 427 HD3 PRO 59 HD3 PRO 59 22.421 3.723 0.489 428 H LYS 60 H LYS 60 22.791 7.612 -0.265 429 HA LYS 60 HA LYS 60 23.391 10.108 1.153 430 HB2 LYS 60 HB2 LYS 60 24.459 9.071 -1.480 431 HB3 LYS 60 HB3 LYS 60 24.982 10.537 -0.661 432 HG2 LYS 60 HG2 LYS 60 25.904 9.271 1.151 433 HG3 LYS 60 HG3 LYS 60 25.241 7.773 0.497 434 HD2 LYS 60 HD2 LYS 60 26.663 8.019 -1.485 435 HD3 LYS 60 HD3 LYS 60 27.336 9.505 -0.812 436 HE2 LYS 60 HE2 LYS 60 28.222 8.273 1.081 437 HE3 LYS 60 HE3 LYS 60 27.490 6.787 0.481 438 HZ1 LYS 60 HZ1 LYS 60 29.825 6.951 -0.061 439 HZ2 LYS 60 HZ2 LYS 60 29.569 8.310 -0.917 440 HZ3 LYS 60 HZ3 LYS 60 28.921 6.906 -1.416 441 H ILE 61 H ILE 61 21.138 8.756 -0.877 442 HA ILE 61 HA ILE 61 20.522 11.126 -2.420 443 HB ILE 61 HB ILE 61 18.936 8.582 -1.983 444 HG12 ILE 61 HG12 ILE 61 21.097 8.343 -3.199 445 HG13 ILE 61 HG13 ILE 61 19.691 7.893 -4.154 446 HG21 ILE 61 HG21 ILE 61 18.459 10.829 -3.936 447 HG22 ILE 61 HG22 ILE 61 17.453 10.413 -2.549 448 HG23 ILE 61 HG23 ILE 61 17.587 9.296 -3.907 449 HD11 ILE 61 HD11 ILE 61 19.808 10.074 -5.278 450 HD12 ILE 61 HD12 ILE 61 21.263 9.103 -5.501 451 HD13 ILE 61 HD13 ILE 61 21.266 10.445 -4.356 452 H ARG 62 H ARG 62 18.845 12.542 -2.000 453 HA ARG 62 HA ARG 62 17.753 12.360 0.713 454 HB2 ARG 62 HB2 ARG 62 18.129 14.686 -1.159 455 HB3 ARG 62 HB3 ARG 62 17.035 14.793 0.213 456 HG2 ARG 62 HG2 ARG 62 19.088 15.725 0.912 457 HG3 ARG 62 HG3 ARG 62 18.967 14.141 1.674 458 HD2 ARG 62 HD2 ARG 62 20.414 13.212 -0.095 459 HD3 ARG 62 HD3 ARG 62 20.576 14.827 -0.778 460 HE ARG 62 HE ARG 62 21.334 14.628 1.998 461 HH11 ARG 62 HH11 ARG 62 22.420 14.422 -1.325 462 HH12 ARG 62 HH12 ARG 62 24.087 14.674 -0.929 463 HH21 ARG 62 HH21 ARG 62 23.534 14.961 2.520 464 HH22 ARG 62 HH22 ARG 62 24.723 14.979 1.256 465 H CYS 63 H CYS 63 16.209 10.858 0.315 466 HA CYS 63 HA CYS 63 13.826 11.851 -1.085 467 HB2 CYS 63 HB2 CYS 63 14.905 10.190 -2.536 468 HB3 CYS 63 HB3 CYS 63 14.937 9.038 -1.208 469 H LEU 64 H LEU 64 11.836 11.168 -0.162 470 HA LEU 64 HA LEU 64 11.914 10.374 2.579 471 HB2 LEU 64 HB2 LEU 64 9.648 10.434 0.605 472 HB3 LEU 64 HB3 LEU 64 9.464 10.141 2.324 473 HG LEU 64 HG LEU 64 10.260 12.689 0.939 474 HD11 LEU 64 HD11 LEU 64 8.116 11.975 2.916 475 HD12 LEU 64 HD12 LEU 64 7.894 12.246 1.188 476 HD13 LEU 64 HD13 LEU 64 8.391 13.575 2.233 477 HD21 LEU 64 HD21 LEU 64 11.820 12.431 2.772 478 HD22 LEU 64 HD22 LEU 64 10.502 12.038 3.874 479 HD23 LEU 64 HD23 LEU 64 10.617 13.654 3.180 480 H GLU 65 H GLU 65 13.155 8.527 2.525 481 HA GLU 65 HA GLU 65 12.403 6.313 0.838 482 HB2 GLU 65 HB2 GLU 65 14.418 5.216 1.777 483 HB3 GLU 65 HB3 GLU 65 14.750 6.772 1.034 484 HG2 GLU 65 HG2 GLU 65 14.962 7.823 3.165 485 HG3 GLU 65 HG3 GLU 65 14.402 6.371 3.994 486 H GLU 66 H GLU 66 12.532 4.116 1.795 487 HA GLU 66 HA GLU 66 12.015 2.478 3.264 488 HB2 GLU 66 HB2 GLU 66 11.227 4.642 5.210 489 HB3 GLU 66 HB3 GLU 66 11.335 2.923 5.566 490 HG2 GLU 66 HG2 GLU 66 13.755 3.073 4.869 491 HG3 GLU 66 HG3 GLU 66 13.553 4.818 4.892 492 H GLN 67 H GLN 67 10.485 2.321 1.476 493 HA GLN 67 HA GLN 67 7.725 2.653 2.398 494 HB2 GLN 67 HB2 GLN 67 7.969 3.264 0.106 495 HB3 GLN 67 HB3 GLN 67 8.871 1.794 -0.255 496 HG2 GLN 67 HG2 GLN 67 7.017 0.626 -0.616 497 HG3 GLN 67 HG3 GLN 67 6.262 1.214 0.855 498 HE21 GLN 67 HE21 GLN 67 6.738 1.805 -2.552 499 HE22 GLN 67 HE22 GLN 67 5.384 2.852 -2.742 500 H LEU 68 H LEU 68 9.699 0.053 0.971 501 HA LEU 68 HA LEU 68 9.221 -1.811 3.026 502 HB2 LEU 68 HB2 LEU 68 6.947 -1.574 1.648 503 HB3 LEU 68 HB3 LEU 68 7.771 -2.672 0.557 504 HG LEU 68 HG LEU 68 6.361 -3.946 2.017 505 HD11 LEU 68 HD11 LEU 68 8.471 -4.987 1.445 506 HD12 LEU 68 HD12 LEU 68 7.973 -5.449 3.072 507 HD13 LEU 68 HD13 LEU 68 9.241 -4.243 2.846 508 HD21 LEU 68 HD21 LEU 68 6.636 -3.934 4.450 509 HD22 LEU 68 HD22 LEU 68 6.146 -2.354 3.839 510 HD23 LEU 68 HD23 LEU 68 7.822 -2.638 4.307 511 H GLY 69 H GLY 69 11.333 -2.513 2.830 512 HA2 GLY 69 HA2 GLY 69 12.309 -4.564 1.896 513 HA3 GLY 69 HA3 GLY 69 11.847 -3.964 0.314 514 H LEU 70 H LEU 70 14.393 -4.853 1.069 515 HA LEU 70 HA LEU 70 16.010 -2.410 1.050 516 HB2 LEU 70 HB2 LEU 70 16.351 -4.528 2.601 517 HB3 LEU 70 HB3 LEU 70 17.149 -5.177 1.185 518 HG LEU 70 HG LEU 70 17.964 -2.551 2.418 519 HD11 LEU 70 HD11 LEU 70 19.057 -5.297 3.005 520 HD12 LEU 70 HD12 LEU 70 18.159 -4.274 4.124 521 HD13 LEU 70 HD13 LEU 70 19.749 -3.772 3.554 522 HD21 LEU 70 HD21 LEU 70 20.061 -2.987 1.262 523 HD22 LEU 70 HD22 LEU 70 18.707 -2.962 0.130 524 HD23 LEU 70 HD23 LEU 70 19.410 -4.500 0.633 525 H CYS 71 H CYS 71 17.192 -1.866 -0.702 526 HA CYS 71 HA CYS 71 16.400 -3.046 -3.205 527 HB2 CYS 71 HB2 CYS 71 17.854 -0.584 -2.359 528 HB3 CYS 71 HB3 CYS 71 18.030 -1.136 -4.021 529 HA PRO 72 HA PRO 72 19.701 -5.598 -4.682 530 HB2 PRO 72 HB2 PRO 72 20.505 -3.228 -6.338 531 HB3 PRO 72 HB3 PRO 72 20.421 -4.938 -6.797 532 HG2 PRO 72 HG2 PRO 72 18.456 -3.252 -7.444 533 HG3 PRO 72 HG3 PRO 72 18.109 -4.919 -6.954 534 HD2 PRO 72 HD2 PRO 72 17.626 -2.398 -5.503 535 HD3 PRO 72 HD3 PRO 72 16.846 -3.977 -5.310 536 H LEU 73 H LEU 73 20.900 -2.218 -4.379 537 HA LEU 73 HA LEU 73 23.443 -3.120 -3.408 538 HB2 LEU 73 HB2 LEU 73 22.187 -0.386 -3.345 539 HB3 LEU 73 HB3 LEU 73 23.814 -0.736 -2.803 540 HG LEU 73 HG LEU 73 24.215 0.112 -4.858 541 HD11 LEU 73 HD11 LEU 73 25.177 -2.130 -4.710 542 HD12 LEU 73 HD12 LEU 73 24.862 -1.619 -6.367 543 HD13 LEU 73 HD13 LEU 73 23.779 -2.766 -5.574 544 HD21 LEU 73 HD21 LEU 73 22.810 -0.401 -6.878 545 HD22 LEU 73 HD22 LEU 73 22.046 0.570 -5.621 546 HD23 LEU 73 HD23 LEU 73 21.652 -1.145 -5.773 547 H LYS 74 H LYS 74 24.221 -3.019 -1.342 548 HA LYS 74 HA LYS 74 22.388 -4.151 0.472 549 HB2 LYS 74 HB2 LYS 74 24.801 -4.723 0.272 550 HB3 LYS 74 HB3 LYS 74 25.188 -3.191 1.034 551 HG2 LYS 74 HG2 LYS 74 25.354 -4.849 2.704 552 HG3 LYS 74 HG3 LYS 74 23.870 -3.956 3.026 553 HD2 LYS 74 HD2 LYS 74 23.630 -6.361 1.318 554 HD3 LYS 74 HD3 LYS 74 24.007 -6.637 3.017 555 HE2 LYS 74 HE2 LYS 74 22.033 -5.320 3.653 556 HE3 LYS 74 HE3 LYS 74 21.655 -5.072 1.952 557 HZ1 LYS 74 HZ1 LYS 74 20.397 -6.884 2.931 558 HZ2 LYS 74 HZ2 LYS 74 21.766 -7.688 3.274 559 HZ3 LYS 74 HZ3 LYS 74 21.351 -7.423 1.727 560 H ARG 75 H ARG 75 23.571 -0.895 0.145 561 HA ARG 75 HA ARG 75 22.427 -0.223 2.765 562 HB2 ARG 75 HB2 ARG 75 23.748 1.961 2.434 563 HB3 ARG 75 HB3 ARG 75 24.630 0.507 2.857 564 HG2 ARG 75 HG2 ARG 75 24.354 1.229 -0.018 565 HG3 ARG 75 HG3 ARG 75 25.493 2.124 0.988 566 HD2 ARG 75 HD2 ARG 75 26.574 0.026 1.630 567 HD3 ARG 75 HD3 ARG 75 25.434 -0.873 0.632 568 HE ARG 75 HE ARG 75 26.501 0.761 -1.173 569 HH11 ARG 75 HH11 ARG 75 28.019 -1.173 1.315 570 HH12 ARG 75 HH12 ARG 75 29.499 -1.377 0.431 571 HH21 ARG 75 HH21 ARG 75 28.445 0.476 -2.344 572 HH22 ARG 75 HH22 ARG 75 29.737 -0.445 -1.650 573 H TRP 76 H TRP 76 21.265 -0.397 -0.146 574 HA TRP 76 HA TRP 76 20.108 2.294 -0.241 575 HB2 TRP 76 HB2 TRP 76 20.007 0.008 -2.203 576 HB3 TRP 76 HB3 TRP 76 19.110 1.508 -2.408 577 HD1 TRP 76 HD1 TRP 76 22.800 1.101 -1.313 578 HE1 TRP 76 HE1 TRP 76 24.272 2.356 -2.996 579 HE3 TRP 76 HE3 TRP 76 19.173 2.659 -4.546 580 HZ2 TRP 76 HZ2 TRP 76 23.935 3.799 -5.387 581 HZ3 TRP 76 HZ3 TRP 76 19.816 4.009 -6.487 582 HH2 TRP 76 HH2 TRP 76 22.158 4.572 -6.894 583 H THR 77 H THR 77 17.888 2.642 -0.331 584 HA THR 77 HA THR 77 16.315 0.550 1.025 585 HB THR 77 HB THR 77 15.805 3.526 1.127 586 HG1 THR 77 HG1 THR 77 16.999 3.613 2.985 587 HG21 THR 77 HG21 THR 77 13.921 2.062 1.705 588 HG22 THR 77 HG22 THR 77 14.500 2.963 3.104 589 HG23 THR 77 HG23 THR 77 14.922 1.261 2.917 590 H CYS 78 H CYS 78 14.286 0.036 0.206 591 HA CYS 78 HA CYS 78 13.547 1.029 -2.386 592 HB2 CYS 78 HB2 CYS 78 13.022 -1.296 -1.559 593 HB3 CYS 78 HB3 CYS 78 11.851 -0.581 -0.457 594 H CYS 79 H CYS 79 13.076 3.120 -2.429 595 HA CYS 79 HA CYS 79 11.850 4.383 -0.125 596 HB2 CYS 79 HB2 CYS 79 13.706 5.543 -0.817 597 HB3 CYS 79 HB3 CYS 79 13.356 5.330 -2.532 598 H LYS 80 H LYS 80 10.128 5.852 -0.267 599 HA LYS 80 HA LYS 80 8.018 4.815 -1.967 600 HB2 LYS 80 HB2 LYS 80 7.849 5.178 0.542 601 HB3 LYS 80 HB3 LYS 80 7.855 6.901 0.208 602 HG2 LYS 80 HG2 LYS 80 5.830 6.485 -1.255 603 HG3 LYS 80 HG3 LYS 80 5.776 4.872 -0.531 604 HD2 LYS 80 HD2 LYS 80 5.705 7.471 0.995 605 HD3 LYS 80 HD3 LYS 80 4.302 6.469 0.629 606 HE2 LYS 80 HE2 LYS 80 6.677 5.403 2.127 607 HE3 LYS 80 HE3 LYS 80 5.353 6.226 2.947 608 HZ1 LYS 80 HZ1 LYS 80 4.974 3.875 1.235 609 HZ2 LYS 80 HZ2 LYS 80 3.882 4.557 2.231 610 HZ3 LYS 80 HZ3 LYS 80 5.169 3.786 2.851 611 H GLU 81 H GLU 81 8.487 5.714 -3.967 612 HA GLU 81 HA GLU 81 8.205 7.197 -5.658 613 HB2 GLU 81 HB2 GLU 81 6.182 8.287 -3.708 614 HB3 GLU 81 HB3 GLU 81 6.241 8.669 -5.425 615 HG2 GLU 81 HG2 GLU 81 5.778 6.404 -6.017 616 HG3 GLU 81 HG3 GLU 81 5.933 5.883 -4.341 617 H ILE 82 H ILE 82 10.140 8.249 -5.791 618 HA ILE 82 HA ILE 82 10.968 10.403 -4.165 619 HB ILE 82 HB ILE 82 11.820 9.894 -7.020 620 HG12 ILE 82 HG12 ILE 82 12.998 8.772 -4.467 621 HG13 ILE 82 HG13 ILE 82 12.051 7.854 -5.633 622 HG21 ILE 82 HG21 ILE 82 13.214 11.269 -4.725 623 HG22 ILE 82 HG22 ILE 82 12.492 12.060 -6.126 624 HG23 ILE 82 HG23 ILE 82 13.891 11.006 -6.333 625 HD11 ILE 82 HD11 ILE 82 13.773 8.236 -7.325 626 HD12 ILE 82 HD12 ILE 82 14.428 7.429 -5.898 627 HD13 ILE 82 HD13 ILE 82 14.719 9.150 -6.151
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