NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
502954 | 2l7p | 17365 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -14.628 0.776 47.030 2 HA2 GLY 1 HA2 GLY 1 -15.001 -0.538 44.796 3 HA3 GLY 1 HA3 GLY 1 -15.702 0.996 44.308 4 H SER 2 H SER 2 -12.982 -0.803 44.144 5 HA SER 2 HA SER 2 -11.127 1.455 44.280 6 HB2 SER 2 HB2 SER 2 -10.633 -0.838 45.325 7 HB3 SER 2 HB3 SER 2 -10.399 -1.407 43.661 8 HG SER 2 HG SER 2 -9.031 0.834 44.723 9 H ARG 3 H ARG 3 -12.582 2.137 42.314 10 HA ARG 3 HA ARG 3 -12.306 0.955 39.810 11 HB2 ARG 3 HB2 ARG 3 -13.000 3.054 38.869 12 HB3 ARG 3 HB3 ARG 3 -13.885 2.799 40.382 13 HG2 ARG 3 HG2 ARG 3 -12.227 4.277 41.531 14 HG3 ARG 3 HG3 ARG 3 -11.545 4.636 39.936 15 HD2 ARG 3 HD2 ARG 3 -13.028 6.307 39.812 16 HD3 ARG 3 HD3 ARG 3 -14.247 5.048 39.572 17 HE ARG 3 HE ARG 3 -15.087 5.567 41.622 18 HH11 ARG 3 HH11 ARG 3 -11.761 6.589 41.507 19 HH12 ARG 3 HH12 ARG 3 -11.796 7.325 43.076 20 HH21 ARG 3 HH21 ARG 3 -15.146 6.532 43.689 21 HH22 ARG 3 HH22 ARG 3 -13.723 7.290 44.316 22 H ARG 4 H ARG 4 -10.759 0.935 38.280 23 HA ARG 4 HA ARG 4 -8.495 2.763 38.476 24 HB2 ARG 4 HB2 ARG 4 -7.839 0.805 39.809 25 HB3 ARG 4 HB3 ARG 4 -8.166 -0.242 38.419 26 HG2 ARG 4 HG2 ARG 4 -6.408 1.684 37.438 27 HG3 ARG 4 HG3 ARG 4 -5.804 1.284 39.055 28 HD2 ARG 4 HD2 ARG 4 -6.637 -1.005 37.365 29 HD3 ARG 4 HD3 ARG 4 -5.191 -0.126 36.849 30 HE ARG 4 HE ARG 4 -5.454 -1.820 39.156 31 HH11 ARG 4 HH11 ARG 4 -3.687 0.816 37.725 32 HH12 ARG 4 HH12 ARG 4 -2.260 0.544 38.669 33 HH21 ARG 4 HH21 ARG 4 -3.581 -2.189 40.405 34 HH22 ARG 4 HH22 ARG 4 -2.201 -1.166 40.193 35 H ALA 5 H ALA 5 -7.702 3.345 36.529 36 HA ALA 5 HA ALA 5 -8.470 1.762 34.175 37 HB1 ALA 5 HB1 ALA 5 -10.068 3.582 34.340 38 HB2 ALA 5 HB2 ALA 5 -8.753 4.755 34.430 39 HB3 ALA 5 HB3 ALA 5 -9.006 3.824 32.953 40 H SER 6 H SER 6 -7.279 2.692 32.167 41 HA SER 6 HA SER 6 -4.830 4.051 32.488 42 HB2 SER 6 HB2 SER 6 -4.671 1.466 33.453 43 HB3 SER 6 HB3 SER 6 -4.064 1.309 31.795 44 HG SER 6 HG SER 6 -2.504 1.905 33.525 45 H VAL 7 H VAL 7 -3.315 3.384 30.487 46 HA VAL 7 HA VAL 7 -4.901 2.695 28.144 47 HB VAL 7 HB VAL 7 -4.218 4.706 26.904 48 HG11 VAL 7 HG11 VAL 7 -5.726 5.335 29.439 49 HG12 VAL 7 HG12 VAL 7 -5.781 6.261 27.937 50 HG13 VAL 7 HG13 VAL 7 -6.416 4.616 27.985 51 HG21 VAL 7 HG21 VAL 7 -2.323 5.586 27.838 52 HG22 VAL 7 HG22 VAL 7 -3.535 6.667 28.525 53 HG23 VAL 7 HG23 VAL 7 -2.890 5.340 29.491 54 H GLY 8 H GLY 8 -3.392 2.935 26.112 55 HA2 GLY 8 HA2 GLY 8 -0.985 1.424 26.766 56 HA3 GLY 8 HA3 GLY 8 -1.167 1.634 25.165 57 H SER 9 H SER 9 0.437 2.105 24.381 58 HA SER 9 HA SER 9 1.156 4.914 24.779 59 HB2 SER 9 HB2 SER 9 2.603 2.983 26.044 60 HB3 SER 9 HB3 SER 9 3.467 3.094 24.499 61 HG SER 9 HG SER 9 4.164 5.022 25.009 62 H GLU 10 H GLU 10 3.313 5.123 23.165 63 HA GLU 10 HA GLU 10 2.347 4.135 20.561 64 HB2 GLU 10 HB2 GLU 10 2.675 6.817 21.472 65 HB3 GLU 10 HB3 GLU 10 3.892 6.509 20.224 66 HG2 GLU 10 HG2 GLU 10 1.898 5.523 18.877 67 HG3 GLU 10 HG3 GLU 10 0.917 6.467 20.008 68 H PHE 11 H PHE 11 3.728 2.823 19.591 69 HA PHE 11 HA PHE 11 6.518 3.396 19.401 70 HB2 PHE 11 HB2 PHE 11 6.603 2.473 21.625 71 HB3 PHE 11 HB3 PHE 11 5.635 1.081 21.131 72 HD1 PHE 11 HD2 PHE 11 8.918 2.716 20.629 73 HD2 PHE 11 HD1 PHE 11 6.621 -0.848 20.247 74 HE1 PHE 11 HE2 PHE 11 10.962 1.460 20.085 75 HE2 PHE 11 HE1 PHE 11 8.662 -2.110 19.705 76 HZ PHE 11 HZ PHE 11 10.837 -0.955 19.621 77 H MET 12 H MET 12 7.494 2.282 17.741 78 HA MET 12 HA MET 12 6.369 -0.087 16.604 79 HB2 MET 12 HB2 MET 12 5.579 0.749 14.532 80 HB3 MET 12 HB3 MET 12 4.834 1.754 15.786 81 HG2 MET 12 HG2 MET 12 7.061 3.201 15.276 82 HG3 MET 12 HG3 MET 12 6.773 2.467 13.695 83 HE1 MET 12 HE1 MET 12 5.795 4.685 16.426 84 HE2 MET 12 HE2 MET 12 6.050 5.920 15.192 85 HE3 MET 12 HE3 MET 12 4.438 5.660 15.860 86 H VAL 13 H VAL 13 7.465 -0.453 14.332 87 HA VAL 13 HA VAL 13 10.313 -0.116 14.791 88 HB VAL 13 HB VAL 13 10.566 -1.622 12.823 89 HG11 VAL 13 HG11 VAL 13 8.766 -2.573 15.049 90 HG12 VAL 13 HG12 VAL 13 9.642 -3.633 13.941 91 HG13 VAL 13 HG13 VAL 13 10.529 -2.573 15.037 92 HG21 VAL 13 HG21 VAL 13 7.996 -0.825 12.220 93 HG22 VAL 13 HG22 VAL 13 8.879 -2.146 11.455 94 HG23 VAL 13 HG23 VAL 13 7.786 -2.478 12.799 95 H VAL 14 H VAL 14 11.659 0.238 12.711 96 HA VAL 14 HA VAL 14 10.453 2.359 11.067 97 HB VAL 14 HB VAL 14 12.678 3.542 11.142 98 HG11 VAL 14 HG11 VAL 14 11.678 4.908 12.582 99 HG12 VAL 14 HG12 VAL 14 10.498 3.634 12.896 100 HG13 VAL 14 HG13 VAL 14 11.935 3.774 13.909 101 HG21 VAL 14 HG21 VAL 14 14.070 3.078 13.162 102 HG22 VAL 14 HG22 VAL 14 13.125 1.611 13.414 103 HG23 VAL 14 HG23 VAL 14 14.098 1.793 11.954 104 H ASP 15 H ASP 15 10.711 2.027 8.962 105 HA ASP 15 HA ASP 15 12.418 -0.126 8.049 106 HB2 ASP 15 HB2 ASP 15 11.348 0.149 5.904 107 HB3 ASP 15 HB3 ASP 15 10.108 0.202 7.164 108 H VAL 16 H VAL 16 13.219 0.645 5.571 109 HA VAL 16 HA VAL 16 14.752 3.113 5.843 110 HB VAL 16 HB VAL 16 16.122 1.180 6.766 111 HG11 VAL 16 HG11 VAL 16 16.917 0.367 4.070 112 HG12 VAL 16 HG12 VAL 16 16.660 -0.605 5.520 113 HG13 VAL 16 HG13 VAL 16 15.287 -0.129 4.522 114 HG21 VAL 16 HG21 VAL 16 16.838 3.419 5.357 115 HG22 VAL 16 HG22 VAL 16 17.942 2.380 6.259 116 HG23 VAL 16 HG23 VAL 16 17.726 2.141 4.525 117 H THR 17 H THR 17 12.568 1.964 4.130 118 HA THR 17 HA THR 17 13.769 2.700 1.566 119 HB THR 17 HB THR 17 12.518 0.865 0.419 120 HG1 THR 17 HG1 THR 17 12.038 -0.952 1.953 121 HG21 THR 17 HG21 THR 17 14.346 -0.451 0.494 122 HG22 THR 17 HG22 THR 17 14.263 -0.635 2.247 123 HG23 THR 17 HG23 THR 17 14.997 0.807 1.545 124 H ILE 18 H ILE 18 11.965 2.900 -0.144 125 HA ILE 18 HA ILE 18 9.933 4.624 0.984 126 HB ILE 18 HB ILE 18 10.150 3.919 -1.927 127 HG12 ILE 18 HG12 ILE 18 12.408 4.466 -1.231 128 HG13 ILE 18 HG13 ILE 18 11.737 5.806 -2.173 129 HG21 ILE 18 HG21 ILE 18 8.289 5.240 -1.635 130 HG22 ILE 18 HG22 ILE 18 9.009 6.148 -0.307 131 HG23 ILE 18 HG23 ILE 18 9.524 6.454 -1.966 132 HD11 ILE 18 HD11 ILE 18 12.448 7.115 -0.525 133 HD12 ILE 18 HD12 ILE 18 11.074 6.500 0.393 134 HD13 ILE 18 HD13 ILE 18 12.663 5.759 0.579 135 H GLU 19 H GLU 19 7.664 4.456 0.331 136 HA GLU 19 HA GLU 19 6.647 1.842 0.812 137 HB2 GLU 19 HB2 GLU 19 5.122 4.266 -0.164 138 HB3 GLU 19 HB3 GLU 19 4.460 2.847 0.664 139 HG2 GLU 19 HG2 GLU 19 5.545 3.430 2.713 140 HG3 GLU 19 HG3 GLU 19 6.443 4.729 1.915 141 H ASP 20 H ASP 20 7.577 0.648 -0.939 142 HA ASP 20 HA ASP 20 5.827 0.535 -3.229 143 HB2 ASP 20 HB2 ASP 20 7.331 1.041 -4.930 144 HB3 ASP 20 HB3 ASP 20 7.721 2.252 -3.702 145 H SER 21 H SER 21 6.846 -1.103 -0.924 146 HA SER 21 HA SER 21 6.854 -3.607 -2.171 147 HB2 SER 21 HB2 SER 21 9.358 -4.077 -1.309 148 HB3 SER 21 HB3 SER 21 8.999 -3.549 -2.963 149 HG SER 21 HG SER 21 9.955 -2.017 -0.795 150 H TYR 22 H TYR 22 5.312 -3.686 -0.427 151 HA TYR 22 HA TYR 22 6.389 -3.776 2.280 152 HB2 TYR 22 HB2 TYR 22 3.634 -3.726 1.094 153 HB3 TYR 22 HB3 TYR 22 3.858 -4.306 2.745 154 HD1 TYR 22 HD2 TYR 22 4.903 -2.783 4.459 155 HD2 TYR 22 HD1 TYR 22 3.653 -1.395 0.636 156 HE1 TYR 22 HE2 TYR 22 4.909 -0.471 5.301 157 HE2 TYR 22 HE1 TYR 22 3.657 0.919 1.468 158 HH TYR 22 HH TYR 22 3.767 1.707 4.709 159 H SER 23 H SER 23 5.236 -5.608 3.651 160 HA SER 23 HA SER 23 5.290 -7.814 4.211 161 HB2 SER 23 HB2 SER 23 4.310 -7.976 1.353 162 HB3 SER 23 HB3 SER 23 4.438 -9.399 2.403 163 HG SER 23 HG SER 23 2.340 -8.379 2.416 164 H THR 24 H THR 24 6.091 -10.101 3.174 165 HA THR 24 HA THR 24 8.902 -9.600 2.517 166 HB THR 24 HB THR 24 9.063 -12.139 3.032 167 HG1 THR 24 HG1 THR 24 7.313 -13.059 3.794 168 HG21 THR 24 HG21 THR 24 8.820 -11.506 5.593 169 HG22 THR 24 HG22 THR 24 8.703 -9.876 4.930 170 HG23 THR 24 HG23 THR 24 10.129 -10.860 4.605 171 H GLU 25 H GLU 25 6.750 -12.330 1.755 172 HA GLU 25 HA GLU 25 7.946 -12.520 -0.884 173 HB2 GLU 25 HB2 GLU 25 7.679 -14.596 0.257 174 HB3 GLU 25 HB3 GLU 25 5.982 -14.248 0.616 175 HG2 GLU 25 HG2 GLU 25 5.327 -14.557 -1.634 176 HG3 GLU 25 HG3 GLU 25 7.008 -14.563 -2.186 177 H SER 26 H SER 26 4.548 -12.907 0.080 178 HA SER 26 HA SER 26 3.509 -12.086 -2.388 179 HB2 SER 26 HB2 SER 26 1.469 -11.538 -0.621 180 HB3 SER 26 HB3 SER 26 1.809 -13.128 -1.328 181 HG SER 26 HG SER 26 2.779 -13.768 0.502 182 H ALA 27 H ALA 27 2.483 -10.167 -3.037 183 HA ALA 27 HA ALA 27 3.186 -7.781 -1.455 184 HB1 ALA 27 HB1 ALA 27 4.417 -7.022 -3.136 185 HB2 ALA 27 HB2 ALA 27 4.069 -8.483 -4.061 186 HB3 ALA 27 HB3 ALA 27 3.009 -7.079 -4.197 187 H TRP 28 H TRP 28 1.863 -5.836 -2.111 188 HA TRP 28 HA TRP 28 -0.929 -6.680 -2.492 189 HB2 TRP 28 HB2 TRP 28 0.364 -4.486 -0.912 190 HB3 TRP 28 HB3 TRP 28 -1.284 -4.260 -1.497 191 HD1 TRP 28 HD1 TRP 28 0.470 -5.544 1.425 192 HE1 TRP 28 HE1 TRP 28 -1.069 -7.015 2.870 193 HE3 TRP 28 HE3 TRP 28 -3.330 -6.272 -1.917 194 HZ2 TRP 28 HZ2 TRP 28 -3.564 -8.314 2.626 195 HZ3 TRP 28 HZ3 TRP 28 -5.255 -7.641 -1.232 196 HH2 TRP 28 HH2 TRP 28 -5.368 -8.640 0.992 197 H VAL 29 H VAL 29 -2.132 -5.866 -4.117 198 HA VAL 29 HA VAL 29 -1.012 -3.667 -5.717 199 HB VAL 29 HB VAL 29 -1.918 -4.869 -7.763 200 HG11 VAL 29 HG11 VAL 29 0.370 -6.240 -6.359 201 HG12 VAL 29 HG12 VAL 29 0.103 -6.114 -8.099 202 HG13 VAL 29 HG13 VAL 29 0.490 -4.673 -7.158 203 HG21 VAL 29 HG21 VAL 29 -2.230 -7.244 -7.665 204 HG22 VAL 29 HG22 VAL 29 -1.775 -7.283 -5.962 205 HG23 VAL 29 HG23 VAL 29 -3.277 -6.502 -6.456 206 H ARG 30 H ARG 30 -2.473 -2.232 -6.544 207 HA ARG 30 HA ARG 30 -5.261 -2.606 -5.685 208 HB2 ARG 30 HB2 ARG 30 -4.020 -0.651 -4.767 209 HB3 ARG 30 HB3 ARG 30 -3.851 -0.035 -6.418 210 HG2 ARG 30 HG2 ARG 30 -6.570 -0.507 -6.178 211 HG3 ARG 30 HG3 ARG 30 -6.097 0.142 -4.599 212 HD2 ARG 30 HD2 ARG 30 -6.739 1.967 -6.056 213 HD3 ARG 30 HD3 ARG 30 -5.001 2.040 -5.734 214 HE ARG 30 HE ARG 30 -5.692 0.632 -8.150 215 HH11 ARG 30 HH11 ARG 30 -4.953 3.719 -6.723 216 HH12 ARG 30 HH12 ARG 30 -4.436 4.432 -8.215 217 HH21 ARG 30 HH21 ARG 30 -5.014 1.559 -10.122 218 HH22 ARG 30 HH22 ARG 30 -4.472 3.203 -10.148 219 H CYS 31 H CYS 31 -6.951 -2.324 -7.103 220 HA CYS 31 HA CYS 31 -6.367 -2.785 -9.872 221 HB2 CYS 31 HB2 CYS 31 -8.278 -3.848 -8.723 222 HB3 CYS 31 HB3 CYS 31 -9.021 -2.261 -8.516 223 H ASP 32 H ASP 32 -6.501 -1.410 -11.567 224 HA ASP 32 HA ASP 32 -6.780 1.431 -10.932 225 HB2 ASP 32 HB2 ASP 32 -4.844 0.263 -12.313 226 HB3 ASP 32 HB3 ASP 32 -5.991 0.458 -13.645 227 H ASP 33 H ASP 33 -9.137 -0.186 -11.009 228 HA ASP 33 HA ASP 33 -10.585 1.252 -13.102 229 HB2 ASP 33 HB2 ASP 33 -9.983 -1.125 -13.851 230 HB3 ASP 33 HB3 ASP 33 -11.126 -1.673 -12.616 231 H CYS 34 H CYS 34 -10.770 -0.817 -10.235 232 HA CYS 34 HA CYS 34 -13.212 0.633 -9.447 233 HB2 CYS 34 HB2 CYS 34 -13.955 -1.342 -8.256 234 HB3 CYS 34 HB3 CYS 34 -13.635 -1.753 -9.943 235 H PHE 35 H PHE 35 -9.988 0.074 -8.757 236 HA PHE 35 HA PHE 35 -8.627 0.662 -7.033 237 HB2 PHE 35 HB2 PHE 35 -11.036 2.094 -5.887 238 HB3 PHE 35 HB3 PHE 35 -9.336 2.420 -5.540 239 HD1 PHE 35 HD1 PHE 35 -7.850 3.212 -7.463 240 HD2 PHE 35 HD2 PHE 35 -12.103 3.247 -7.612 241 HE1 PHE 35 HE1 PHE 35 -7.769 4.870 -9.279 242 HE2 PHE 35 HE2 PHE 35 -12.029 4.903 -9.430 243 HZ PHE 35 HZ PHE 35 -9.861 5.717 -10.267 244 H LYS 36 H LYS 36 -8.983 -1.745 -6.638 245 HA LYS 36 HA LYS 36 -9.927 -2.088 -3.872 246 HB2 LYS 36 HB2 LYS 36 -11.503 -3.045 -5.619 247 HB3 LYS 36 HB3 LYS 36 -10.220 -4.204 -6.003 248 HG2 LYS 36 HG2 LYS 36 -11.751 -5.273 -4.522 249 HG3 LYS 36 HG3 LYS 36 -10.259 -4.940 -3.625 250 HD2 LYS 36 HD2 LYS 36 -12.174 -4.393 -2.245 251 HD3 LYS 36 HD3 LYS 36 -11.303 -2.913 -2.681 252 HE2 LYS 36 HE2 LYS 36 -13.137 -2.051 -3.606 253 HE3 LYS 36 HE3 LYS 36 -13.267 -3.450 -4.683 254 HZ1 LYS 36 HZ1 LYS 36 -14.439 -3.146 -1.978 255 HZ2 LYS 36 HZ2 LYS 36 -14.372 -4.630 -2.789 256 HZ3 LYS 36 HZ3 LYS 36 -15.258 -3.347 -3.445 257 H TRP 37 H TRP 37 -8.637 -3.283 -2.550 258 HA TRP 37 HA TRP 37 -5.941 -3.718 -3.367 259 HB2 TRP 37 HB2 TRP 37 -7.511 -4.029 -0.855 260 HB3 TRP 37 HB3 TRP 37 -6.022 -4.964 -0.992 261 HD1 TRP 37 HD1 TRP 37 -6.950 -1.978 0.590 262 HE1 TRP 37 HE1 TRP 37 -5.066 -0.227 0.669 263 HE3 TRP 37 HE3 TRP 37 -3.895 -3.908 -3.027 264 HZ2 TRP 37 HZ2 TRP 37 -2.610 0.271 -0.630 265 HZ3 TRP 37 HZ3 TRP 37 -1.797 -2.733 -3.549 266 HH2 TRP 37 HH2 TRP 37 -1.169 -0.687 -2.374 267 H ARG 38 H ARG 38 -4.838 -5.616 -3.719 268 HA ARG 38 HA ARG 38 -6.285 -8.143 -3.582 269 HB2 ARG 38 HB2 ARG 38 -6.165 -6.759 -5.971 270 HB3 ARG 38 HB3 ARG 38 -4.815 -7.897 -6.094 271 HG2 ARG 38 HG2 ARG 38 -6.363 -9.307 -6.891 272 HG3 ARG 38 HG3 ARG 38 -6.766 -9.532 -5.180 273 HD2 ARG 38 HD2 ARG 38 -8.414 -7.638 -5.410 274 HD3 ARG 38 HD3 ARG 38 -8.109 -7.695 -7.152 275 HE ARG 38 HE ARG 38 -8.769 -10.259 -6.526 276 HH11 ARG 38 HH11 ARG 38 -10.281 -7.161 -6.030 277 HH12 ARG 38 HH12 ARG 38 -11.893 -7.793 -6.089 278 HH21 ARG 38 HH21 ARG 38 -10.887 -11.102 -6.605 279 HH22 ARG 38 HH22 ARG 38 -12.237 -10.035 -6.416 280 H ARG 39 H ARG 39 -5.013 -9.644 -2.724 281 HA ARG 39 HA ARG 39 -2.177 -9.127 -2.437 282 HB2 ARG 39 HB2 ARG 39 -3.918 -10.161 -0.716 283 HB3 ARG 39 HB3 ARG 39 -3.420 -11.668 -1.498 284 HG2 ARG 39 HG2 ARG 39 -0.999 -10.570 -1.025 285 HG3 ARG 39 HG3 ARG 39 -1.931 -9.907 0.327 286 HD2 ARG 39 HD2 ARG 39 -2.723 -12.257 0.810 287 HD3 ARG 39 HD3 ARG 39 -1.539 -12.806 -0.384 288 HE ARG 39 HE ARG 39 -0.418 -11.132 1.670 289 HH11 ARG 39 HH11 ARG 39 -1.280 -14.382 0.766 290 HH12 ARG 39 HH12 ARG 39 -0.154 -15.123 1.854 291 HH21 ARG 39 HH21 ARG 39 1.069 -12.096 3.107 292 HH22 ARG 39 HH22 ARG 39 1.182 -13.821 3.185 293 H ILE 40 H ILE 40 -0.666 -9.896 -3.749 294 HA ILE 40 HA ILE 40 -1.247 -12.329 -5.304 295 HB ILE 40 HB ILE 40 -0.221 -11.448 -7.251 296 HG12 ILE 40 HG12 ILE 40 0.536 -9.078 -5.527 297 HG13 ILE 40 HG13 ILE 40 1.637 -10.256 -6.261 298 HG21 ILE 40 HG21 ILE 40 -2.547 -10.748 -6.854 299 HG22 ILE 40 HG22 ILE 40 -1.956 -9.267 -6.101 300 HG23 ILE 40 HG23 ILE 40 -1.648 -9.570 -7.810 301 HD11 ILE 40 HD11 ILE 40 0.850 -9.468 -8.503 302 HD12 ILE 40 HD12 ILE 40 0.005 -8.165 -7.668 303 HD13 ILE 40 HD13 ILE 40 1.761 -8.287 -7.564 304 HA PRO 41 HA PRO 41 2.593 -13.903 -3.867 305 HB2 PRO 41 HB2 PRO 41 3.323 -15.494 -5.975 306 HB3 PRO 41 HB3 PRO 41 2.010 -15.888 -4.866 307 HG2 PRO 41 HG2 PRO 41 1.893 -14.598 -7.572 308 HG3 PRO 41 HG3 PRO 41 0.871 -15.921 -6.894 309 HD2 PRO 41 HD2 PRO 41 0.026 -13.345 -7.036 310 HD3 PRO 41 HD3 PRO 41 -0.447 -14.438 -5.723 311 H ALA 42 H ALA 42 4.866 -13.798 -4.144 312 HA ALA 42 HA ALA 42 5.794 -11.449 -5.426 313 HB1 ALA 42 HB1 ALA 42 7.667 -11.762 -4.230 314 HB2 ALA 42 HB2 ALA 42 6.729 -13.014 -3.414 315 HB3 ALA 42 HB3 ALA 42 7.824 -13.447 -4.726 316 H SER 43 H SER 43 5.174 -14.545 -6.610 317 HA SER 43 HA SER 43 7.238 -14.653 -8.599 318 HB2 SER 43 HB2 SER 43 5.368 -16.453 -7.543 319 HB3 SER 43 HB3 SER 43 4.892 -16.237 -9.237 320 HG SER 43 HG SER 43 6.423 -17.659 -9.553 321 H VAL 44 H VAL 44 3.878 -13.605 -8.491 322 HA VAL 44 HA VAL 44 3.910 -12.944 -11.332 323 HB VAL 44 HB VAL 44 1.898 -13.995 -10.255 324 HG11 VAL 44 HG11 VAL 44 0.418 -12.607 -8.928 325 HG12 VAL 44 HG12 VAL 44 1.996 -12.726 -8.146 326 HG13 VAL 44 HG13 VAL 44 1.554 -11.262 -9.025 327 HG21 VAL 44 HG21 VAL 44 0.466 -11.818 -11.195 328 HG22 VAL 44 HG22 VAL 44 2.012 -11.710 -12.037 329 HG23 VAL 44 HG23 VAL 44 1.048 -13.183 -12.149 330 H VAL 45 H VAL 45 4.069 -11.408 -8.205 331 HA VAL 45 HA VAL 45 3.403 -8.790 -8.837 332 HB VAL 45 HB VAL 45 4.095 -9.883 -6.558 333 HG11 VAL 45 HG11 VAL 45 6.304 -9.536 -5.836 334 HG12 VAL 45 HG12 VAL 45 6.459 -10.244 -7.445 335 HG13 VAL 45 HG13 VAL 45 6.684 -8.510 -7.218 336 HG21 VAL 45 HG21 VAL 45 3.309 -7.840 -6.100 337 HG22 VAL 45 HG22 VAL 45 5.001 -7.346 -6.039 338 HG23 VAL 45 HG23 VAL 45 4.072 -7.129 -7.522 339 H GLY 46 H GLY 46 6.221 -10.624 -9.680 340 HA2 GLY 46 HA2 GLY 46 7.619 -8.201 -10.577 341 HA3 GLY 46 HA3 GLY 46 8.338 -9.793 -10.416 342 H SER 47 H SER 47 5.246 -9.538 -11.930 343 HA SER 47 HA SER 47 6.481 -9.667 -14.592 344 HB2 SER 47 HB2 SER 47 4.198 -11.490 -13.827 345 HB3 SER 47 HB3 SER 47 5.278 -11.597 -15.227 346 HG SER 47 HG SER 47 5.569 -12.902 -13.042 347 H ILE 48 H ILE 48 3.545 -9.225 -12.679 348 HA ILE 48 HA ILE 48 1.949 -8.245 -14.814 349 HB ILE 48 HB ILE 48 0.424 -7.435 -13.056 350 HG12 ILE 48 HG12 ILE 48 1.412 -8.496 -10.705 351 HG13 ILE 48 HG13 ILE 48 2.840 -7.745 -11.434 352 HG21 ILE 48 HG21 ILE 48 0.438 -9.825 -11.810 353 HG22 ILE 48 HG22 ILE 48 -0.191 -9.570 -13.437 354 HG23 ILE 48 HG23 ILE 48 1.444 -10.193 -13.212 355 HD11 ILE 48 HD11 ILE 48 2.086 -5.937 -10.328 356 HD12 ILE 48 HD12 ILE 48 1.093 -5.751 -11.774 357 HD13 ILE 48 HD13 ILE 48 0.414 -6.497 -10.326 358 H ASP 49 H ASP 49 4.345 -6.821 -12.785 359 HA ASP 49 HA ASP 49 3.492 -4.101 -13.212 360 HB2 ASP 49 HB2 ASP 49 5.900 -5.383 -11.931 361 HB3 ASP 49 HB3 ASP 49 5.838 -3.640 -12.222 362 H GLU 50 H GLU 50 3.516 -4.925 -15.660 363 HA GLU 50 HA GLU 50 6.139 -4.324 -16.834 364 HB2 GLU 50 HB2 GLU 50 5.378 -5.376 -18.845 365 HB3 GLU 50 HB3 GLU 50 4.983 -6.442 -17.488 366 HG2 GLU 50 HG2 GLU 50 2.671 -5.708 -17.530 367 HG3 GLU 50 HG3 GLU 50 3.045 -4.572 -18.833 368 H SER 51 H SER 51 3.050 -3.003 -16.299 369 HA SER 51 HA SER 51 3.704 -0.748 -18.062 370 HB2 SER 51 HB2 SER 51 1.862 -2.446 -18.910 371 HB3 SER 51 HB3 SER 51 0.838 -1.561 -17.764 372 HG SER 51 HG SER 51 2.286 -0.479 -19.950 373 H SER 52 H SER 52 3.420 -1.638 -15.029 374 HA SER 52 HA SER 52 3.063 -0.557 -13.059 375 HB2 SER 52 HB2 SER 52 3.986 1.384 -14.716 376 HB3 SER 52 HB3 SER 52 2.399 2.051 -14.295 377 HG SER 52 HG SER 52 4.574 2.135 -12.841 378 H ARG 53 H ARG 53 0.843 -1.644 -14.758 379 HA ARG 53 HA ARG 53 -1.344 -0.397 -13.257 380 HB2 ARG 53 HB2 ARG 53 -1.159 -0.779 -16.225 381 HB3 ARG 53 HB3 ARG 53 -2.736 -0.867 -15.426 382 HG2 ARG 53 HG2 ARG 53 -2.609 1.372 -14.676 383 HG3 ARG 53 HG3 ARG 53 -0.890 1.475 -15.090 384 HD2 ARG 53 HD2 ARG 53 -2.693 0.770 -17.325 385 HD3 ARG 53 HD3 ARG 53 -2.886 2.399 -16.661 386 HE ARG 53 HE ARG 53 -0.156 1.939 -17.070 387 HH11 ARG 53 HH11 ARG 53 -3.088 2.333 -18.907 388 HH12 ARG 53 HH12 ARG 53 -2.284 2.994 -20.293 389 HH21 ARG 53 HH21 ARG 53 0.912 2.808 -18.889 390 HH22 ARG 53 HH22 ARG 53 -0.009 3.262 -20.281 391 H TRP 54 H TRP 54 -2.768 -1.812 -12.405 392 HA TRP 54 HA TRP 54 -2.782 -4.574 -13.385 393 HB2 TRP 54 HB2 TRP 54 -1.184 -4.454 -11.491 394 HB3 TRP 54 HB3 TRP 54 -2.479 -3.830 -10.467 395 HD1 TRP 54 HD1 TRP 54 -1.059 -7.054 -11.773 396 HE1 TRP 54 HE1 TRP 54 -2.414 -9.035 -10.844 397 HE3 TRP 54 HE3 TRP 54 -4.994 -4.476 -9.772 398 HZ2 TRP 54 HZ2 TRP 54 -4.833 -9.450 -9.448 399 HZ3 TRP 54 HZ3 TRP 54 -6.787 -5.740 -8.658 400 HH2 TRP 54 HH2 TRP 54 -6.707 -8.175 -8.500 401 H ILE 55 H ILE 55 -4.713 -5.671 -13.096 402 HA ILE 55 HA ILE 55 -6.898 -4.227 -11.771 403 HB ILE 55 HB ILE 55 -8.381 -5.036 -13.715 404 HG12 ILE 55 HG12 ILE 55 -5.646 -5.094 -15.013 405 HG13 ILE 55 HG13 ILE 55 -6.759 -6.461 -14.828 406 HG21 ILE 55 HG21 ILE 55 -6.423 -2.809 -14.250 407 HG22 ILE 55 HG22 ILE 55 -8.045 -2.976 -14.918 408 HG23 ILE 55 HG23 ILE 55 -7.829 -2.681 -13.193 409 HD11 ILE 55 HD11 ILE 55 -7.431 -5.992 -16.893 410 HD12 ILE 55 HD12 ILE 55 -8.289 -4.628 -16.175 411 HD13 ILE 55 HD13 ILE 55 -6.684 -4.394 -16.868 412 H CYS 56 H CYS 56 -8.855 -5.633 -11.503 413 HA CYS 56 HA CYS 56 -8.217 -7.977 -10.141 414 HB2 CYS 56 HB2 CYS 56 -10.888 -7.314 -11.399 415 HB3 CYS 56 HB3 CYS 56 -10.603 -8.397 -10.036 416 H MET 57 H MET 57 -9.653 -7.599 -13.378 417 HA MET 57 HA MET 57 -9.823 -10.316 -14.007 418 HB2 MET 57 HB2 MET 57 -9.858 -9.570 -16.378 419 HB3 MET 57 HB3 MET 57 -10.977 -8.672 -15.340 420 HG2 MET 57 HG2 MET 57 -8.643 -7.176 -15.238 421 HG3 MET 57 HG3 MET 57 -8.741 -7.722 -16.914 422 HE1 MET 57 HE1 MET 57 -11.787 -6.501 -14.345 423 HE2 MET 57 HE2 MET 57 -10.176 -5.846 -14.052 424 HE3 MET 57 HE3 MET 57 -11.443 -4.811 -14.712 425 H ASN 58 H ASN 58 -7.098 -8.246 -13.788 426 HA ASN 58 HA ASN 58 -5.407 -9.871 -15.486 427 HB2 ASN 58 HB2 ASN 58 -5.152 -7.310 -14.011 428 HB3 ASN 58 HB3 ASN 58 -3.667 -8.250 -14.199 429 HD21 ASN 58 HD21 ASN 58 -6.421 -7.923 -16.388 430 HD22 ASN 58 HD22 ASN 58 -5.520 -7.263 -17.706 431 H ASN 59 H ASN 59 -6.540 -10.059 -12.347 432 HA ASN 59 HA ASN 59 -4.348 -10.902 -10.856 433 HB2 ASN 59 HB2 ASN 59 -6.746 -10.437 -10.077 434 HB3 ASN 59 HB3 ASN 59 -7.102 -12.096 -10.572 435 HD21 ASN 59 HD21 ASN 59 -7.648 -12.398 -8.320 436 HD22 ASN 59 HD22 ASN 59 -6.396 -12.753 -7.184 437 H SER 60 H SER 60 -3.682 -13.039 -10.223 438 HA SER 60 HA SER 60 -3.441 -14.800 -12.478 439 HB2 SER 60 HB2 SER 60 -1.768 -14.254 -10.461 440 HB3 SER 60 HB3 SER 60 -2.569 -15.674 -9.765 441 HG SER 60 HG SER 60 -1.025 -16.609 -10.915 442 H ASP 61 H ASP 61 -5.417 -14.619 -9.639 443 HA ASP 61 HA ASP 61 -6.210 -17.337 -9.514 444 HB2 ASP 61 HB2 ASP 61 -6.569 -15.157 -7.912 445 HB3 ASP 61 HB3 ASP 61 -8.177 -15.324 -8.632 446 H LYS 62 H LYS 62 -8.872 -17.520 -9.575 447 HA LYS 62 HA LYS 62 -9.666 -16.683 -12.284 448 HB2 LYS 62 HB2 LYS 62 -10.916 -18.915 -12.374 449 HB3 LYS 62 HB3 LYS 62 -9.158 -18.959 -12.577 450 HG2 LYS 62 HG2 LYS 62 -9.857 -19.220 -9.791 451 HG3 LYS 62 HG3 LYS 62 -10.692 -20.434 -10.776 452 HD2 LYS 62 HD2 LYS 62 -8.753 -21.471 -11.412 453 HD3 LYS 62 HD3 LYS 62 -7.807 -19.975 -11.317 454 HE2 LYS 62 HE2 LYS 62 -7.659 -20.093 -8.947 455 HE3 LYS 62 HE3 LYS 62 -8.892 -21.362 -8.877 456 HZ1 LYS 62 HZ1 LYS 62 -7.140 -22.603 -10.373 457 HZ2 LYS 62 HZ2 LYS 62 -7.030 -22.621 -8.686 458 HZ3 LYS 62 HZ3 LYS 62 -6.063 -21.564 -9.585 459 H ARG 63 H ARG 63 -10.681 -17.632 -9.047 460 HA ARG 63 HA ARG 63 -13.431 -16.869 -9.545 461 HB2 ARG 63 HB2 ARG 63 -11.922 -18.183 -7.357 462 HB3 ARG 63 HB3 ARG 63 -13.343 -17.242 -6.875 463 HG2 ARG 63 HG2 ARG 63 -14.354 -19.246 -7.192 464 HG3 ARG 63 HG3 ARG 63 -14.461 -18.617 -8.845 465 HD2 ARG 63 HD2 ARG 63 -13.232 -20.307 -9.621 466 HD3 ARG 63 HD3 ARG 63 -11.930 -19.896 -8.496 467 HE ARG 63 HE ARG 63 -13.777 -21.249 -6.985 468 HH11 ARG 63 HH11 ARG 63 -11.915 -21.912 -9.851 469 HH12 ARG 63 HH12 ARG 63 -11.824 -23.617 -9.556 470 HH21 ARG 63 HH21 ARG 63 -13.666 -23.493 -6.586 471 HH22 ARG 63 HH22 ARG 63 -12.821 -24.516 -7.699 472 H PHE 64 H PHE 64 -10.543 -15.433 -8.355 473 HA PHE 64 HA PHE 64 -12.078 -13.096 -7.426 474 HB2 PHE 64 HB2 PHE 64 -9.590 -14.392 -6.384 475 HB3 PHE 64 HB3 PHE 64 -9.756 -12.643 -6.223 476 HD1 PHE 64 HD1 PHE 64 -11.918 -15.645 -5.705 477 HD2 PHE 64 HD2 PHE 64 -10.569 -11.889 -4.225 478 HE1 PHE 64 HE1 PHE 64 -13.308 -15.942 -3.696 479 HE2 PHE 64 HE2 PHE 64 -11.955 -12.181 -2.213 480 HZ PHE 64 HZ PHE 64 -13.327 -14.210 -1.947 481 H ALA 65 H ALA 65 -11.030 -13.851 -10.137 482 HA ALA 65 HA ALA 65 -9.203 -11.584 -10.570 483 HB1 ALA 65 HB1 ALA 65 -8.639 -14.049 -11.254 484 HB2 ALA 65 HB2 ALA 65 -9.654 -13.673 -12.647 485 HB3 ALA 65 HB3 ALA 65 -8.219 -12.704 -12.316 486 H ASP 66 H ASP 66 -11.328 -10.352 -10.353 487 HA ASP 66 HA ASP 66 -12.096 -9.392 -12.874 488 HB2 ASP 66 HB2 ASP 66 -13.689 -11.620 -11.809 489 HB3 ASP 66 HB3 ASP 66 -14.646 -10.196 -12.240 490 H CYS 67 H CYS 67 -13.208 -7.472 -12.719 491 HA CYS 67 HA CYS 67 -13.151 -6.133 -10.242 492 HB2 CYS 67 HB2 CYS 67 -14.172 -5.524 -12.979 493 HB3 CYS 67 HB3 CYS 67 -14.736 -4.512 -11.648 494 H SER 68 H SER 68 -15.569 -8.058 -11.790 495 HA SER 68 HA SER 68 -17.812 -7.045 -10.345 496 HB2 SER 68 HB2 SER 68 -17.312 -9.042 -12.377 497 HB3 SER 68 HB3 SER 68 -18.368 -9.698 -11.113 498 HG SER 68 HG SER 68 -19.549 -8.617 -12.761 499 H LYS 69 H LYS 69 -15.333 -9.375 -9.697 500 HA LYS 69 HA LYS 69 -16.647 -10.869 -7.691 501 HB2 LYS 69 HB2 LYS 69 -13.688 -10.310 -8.016 502 HB3 LYS 69 HB3 LYS 69 -14.402 -11.601 -7.035 503 HG2 LYS 69 HG2 LYS 69 -14.603 -11.341 -10.038 504 HG3 LYS 69 HG3 LYS 69 -13.562 -12.465 -9.145 505 HD2 LYS 69 HD2 LYS 69 -15.284 -13.897 -9.463 506 HD3 LYS 69 HD3 LYS 69 -15.945 -13.070 -8.043 507 HE2 LYS 69 HE2 LYS 69 -17.539 -11.976 -9.236 508 HE3 LYS 69 HE3 LYS 69 -16.490 -11.794 -10.648 509 HZ1 LYS 69 HZ1 LYS 69 -16.842 -14.180 -11.111 510 HZ2 LYS 69 HZ2 LYS 69 -18.268 -13.275 -11.189 511 HZ3 LYS 69 HZ3 LYS 69 -17.955 -14.246 -9.839 512 H SER 70 H SER 70 -15.317 -10.856 -5.412 513 HA SER 70 HA SER 70 -15.772 -8.150 -4.352 514 HB2 SER 70 HB2 SER 70 -15.928 -10.881 -3.053 515 HB3 SER 70 HB3 SER 70 -15.960 -9.369 -2.128 516 HG SER 70 HG SER 70 -17.947 -9.030 -2.741 517 H GLN 71 H GLN 71 -14.470 -7.910 -2.152 518 HA GLN 71 HA GLN 71 -11.713 -7.851 -2.917 519 HB2 GLN 71 HB2 GLN 71 -12.925 -6.114 -1.520 520 HB3 GLN 71 HB3 GLN 71 -12.832 -7.264 -0.179 521 HG2 GLN 71 HG2 GLN 71 -10.508 -7.122 -0.038 522 HG3 GLN 71 HG3 GLN 71 -10.371 -6.418 -1.654 523 HE21 GLN 71 HE21 GLN 71 -8.992 -5.053 -0.028 524 HE22 GLN 71 HE22 GLN 71 -9.774 -3.621 0.540 525 H GLU 72 H GLU 72 -9.971 -8.666 -1.478 526 HA GLU 72 HA GLU 72 -10.515 -11.445 -0.804 527 HB2 GLU 72 HB2 GLU 72 -7.846 -10.042 -0.674 528 HB3 GLU 72 HB3 GLU 72 -8.163 -11.777 -0.834 529 HG2 GLU 72 HG2 GLU 72 -9.412 -10.763 -3.051 530 HG3 GLU 72 HG3 GLU 72 -8.003 -9.706 -2.880 531 H MET 73 H MET 73 -9.371 -8.482 0.742 532 HA MET 73 HA MET 73 -9.996 -9.683 3.343 533 HB2 MET 73 HB2 MET 73 -7.417 -8.381 2.510 534 HB3 MET 73 HB3 MET 73 -7.942 -8.339 4.199 535 HG2 MET 73 HG2 MET 73 -7.801 -10.668 4.437 536 HG3 MET 73 HG3 MET 73 -7.755 -10.918 2.689 537 HE1 MET 73 HE1 MET 73 -5.692 -7.927 3.943 538 HE2 MET 73 HE2 MET 73 -5.805 -8.853 5.439 539 HE3 MET 73 HE3 MET 73 -4.247 -8.669 4.631 540 H SER 74 H SER 74 -10.093 -7.974 5.087 541 HA SER 74 HA SER 74 -11.733 -5.802 4.122 542 HB2 SER 74 HB2 SER 74 -10.880 -6.383 6.974 543 HB3 SER 74 HB3 SER 74 -12.247 -5.386 6.442 544 HG SER 74 HG SER 74 -13.089 -7.357 6.961 545 H ASN 75 H ASN 75 -11.377 -3.582 4.559 546 HA ASN 75 HA ASN 75 -8.889 -2.587 3.932 547 HB2 ASN 75 HB2 ASN 75 -11.251 -1.369 5.347 548 HB3 ASN 75 HB3 ASN 75 -9.776 -0.432 5.075 549 HD21 ASN 75 HD21 ASN 75 -8.958 -1.129 2.635 550 HD22 ASN 75 HD22 ASN 75 -10.144 -0.729 1.443 551 H GLU 76 H GLU 76 -10.285 -3.123 7.139 552 HA GLU 76 HA GLU 76 -8.253 -1.950 8.661 553 HB2 GLU 76 HB2 GLU 76 -9.043 -3.451 10.496 554 HB3 GLU 76 HB3 GLU 76 -10.332 -2.531 9.704 555 HG2 GLU 76 HG2 GLU 76 -10.789 -4.567 8.296 556 HG3 GLU 76 HG3 GLU 76 -9.680 -5.443 9.360 557 H GLU 77 H GLU 77 -8.649 -5.313 7.582 558 HA GLU 77 HA GLU 77 -6.348 -6.348 8.800 559 HB2 GLU 77 HB2 GLU 77 -7.696 -7.235 6.237 560 HB3 GLU 77 HB3 GLU 77 -6.537 -8.189 7.176 561 HG2 GLU 77 HG2 GLU 77 -8.338 -7.657 9.101 562 HG3 GLU 77 HG3 GLU 77 -9.388 -7.648 7.676 563 H ILE 78 H ILE 78 -6.835 -4.975 5.567 564 HA ILE 78 HA ILE 78 -4.202 -5.415 4.644 565 HB ILE 78 HB ILE 78 -6.110 -3.250 3.757 566 HG12 ILE 78 HG12 ILE 78 -5.744 -6.012 2.579 567 HG13 ILE 78 HG13 ILE 78 -7.038 -5.601 3.717 568 HG21 ILE 78 HG21 ILE 78 -4.847 -3.613 1.572 569 HG22 ILE 78 HG22 ILE 78 -3.999 -2.758 2.861 570 HG23 ILE 78 HG23 ILE 78 -3.642 -4.456 2.546 571 HD11 ILE 78 HD11 ILE 78 -7.009 -5.286 0.908 572 HD12 ILE 78 HD12 ILE 78 -8.293 -4.887 2.048 573 HD13 ILE 78 HD13 ILE 78 -7.076 -3.681 1.633 574 H ASN 79 H ASN 79 -5.755 -2.606 6.158 575 HA ASN 79 HA ASN 79 -3.604 -0.832 5.985 576 HB2 ASN 79 HB2 ASN 79 -5.203 0.479 6.828 577 HB3 ASN 79 HB3 ASN 79 -6.154 -0.931 7.309 578 HD21 ASN 79 HD21 ASN 79 -6.039 -1.697 9.397 579 HD22 ASN 79 HD22 ASN 79 -5.301 -0.805 10.678 580 H GLU 80 H GLU 80 -4.433 -3.203 8.481 581 HA GLU 80 HA GLU 80 -2.219 -2.510 10.162 582 HB2 GLU 80 HB2 GLU 80 -2.875 -4.366 11.533 583 HB3 GLU 80 HB3 GLU 80 -4.339 -3.525 11.001 584 HG2 GLU 80 HG2 GLU 80 -4.849 -5.210 9.404 585 HG3 GLU 80 HG3 GLU 80 -3.270 -5.975 9.631 586 H GLU 81 H GLU 81 -2.766 -4.732 7.541 587 HA GLU 81 HA GLU 81 -0.597 -6.477 8.009 588 HB2 GLU 81 HB2 GLU 81 -2.439 -7.031 6.491 589 HB3 GLU 81 HB3 GLU 81 -1.932 -5.732 5.401 590 HG2 GLU 81 HG2 GLU 81 -0.156 -6.894 4.584 591 HG3 GLU 81 HG3 GLU 81 0.079 -7.794 6.090 592 H LEU 82 H LEU 82 -0.897 -3.674 5.831 593 HA LEU 82 HA LEU 82 1.930 -3.711 5.245 594 HB2 LEU 82 HB2 LEU 82 -0.172 -1.656 4.542 595 HB3 LEU 82 HB3 LEU 82 1.463 -1.762 3.865 596 HG LEU 82 HG LEU 82 0.175 -4.254 3.414 597 HD11 LEU 82 HD11 LEU 82 -1.980 -3.655 3.304 598 HD12 LEU 82 HD12 LEU 82 -1.529 -2.918 1.767 599 HD13 LEU 82 HD13 LEU 82 -1.604 -1.933 3.228 600 HD21 LEU 82 HD21 LEU 82 0.302 -3.070 0.991 601 HD22 LEU 82 HD22 LEU 82 1.683 -3.813 1.801 602 HD23 LEU 82 HD23 LEU 82 1.436 -2.068 1.897 603 H GLY 83 H GLY 83 -0.240 -2.021 7.386 604 HA2 GLY 83 HA2 GLY 83 0.394 -0.888 9.336 605 HA3 GLY 83 HA3 GLY 83 2.049 -0.843 8.752 606 H ILE 84 H ILE 84 -0.741 0.205 6.893 607 HA ILE 84 HA ILE 84 0.386 2.919 6.888 608 HB ILE 84 HB ILE 84 -0.891 3.296 4.836 609 HG12 ILE 84 HG12 ILE 84 -1.715 0.398 5.153 610 HG13 ILE 84 HG13 ILE 84 -2.782 1.804 5.313 611 HG21 ILE 84 HG21 ILE 84 0.909 2.556 3.774 612 HG22 ILE 84 HG22 ILE 84 1.303 1.539 5.158 613 HG23 ILE 84 HG23 ILE 84 0.296 0.905 3.858 614 HD11 ILE 84 HD11 ILE 84 -3.189 1.791 3.143 615 HD12 ILE 84 HD12 ILE 84 -1.467 1.926 2.786 616 HD13 ILE 84 HD13 ILE 84 -2.203 0.337 2.991 617 H GLY 85 H GLY 85 -1.620 4.497 6.177 618 HA2 GLY 85 HA2 GLY 85 -3.612 4.137 8.330 619 HA3 GLY 85 HA3 GLY 85 -2.977 5.700 7.847 620 H GLN 86 H GLN 86 -4.838 2.933 6.637 621 HA GLN 86 HA GLN 86 -5.851 4.255 4.353 622 HB2 GLN 86 HB2 GLN 86 -6.319 1.721 5.766 623 HB3 GLN 86 HB3 GLN 86 -7.744 2.359 4.930 624 HG2 GLN 86 HG2 GLN 86 -6.751 2.229 2.833 625 HG3 GLN 86 HG3 GLN 86 -5.119 2.154 3.516 626 HE21 GLN 86 HE21 GLN 86 -4.564 0.297 2.423 627 HE22 GLN 86 HE22 GLN 86 -5.231 -1.250 2.806 628 H ASP 87 H ASP 87 -8.177 4.736 3.993 629 HA ASP 87 HA ASP 87 -10.005 6.015 4.438 630 HB2 ASP 87 HB2 ASP 87 -10.568 4.027 5.819 631 HB3 ASP 87 HB3 ASP 87 -9.787 4.805 7.203 632 H GLU 88 H GLU 88 -8.863 7.979 4.203 633 HA GLU 88 HA GLU 88 -7.432 9.268 6.237 634 HB2 GLU 88 HB2 GLU 88 -7.177 10.019 3.987 635 HB3 GLU 88 HB3 GLU 88 -8.910 10.350 3.840 636 HG2 GLU 88 HG2 GLU 88 -7.665 12.416 4.064 637 HG3 GLU 88 HG3 GLU 88 -8.714 12.155 5.466 638 H ALA 89 H ALA 89 -10.768 9.901 5.140 639 HA ALA 89 HA ALA 89 -12.559 10.847 6.182 640 HB1 ALA 89 HB1 ALA 89 -11.677 8.791 7.767 641 HB2 ALA 89 HB2 ALA 89 -11.782 10.137 8.902 642 HB3 ALA 89 HB3 ALA 89 -13.198 9.661 7.964 643 H ASP 90 H ASP 90 -13.018 12.097 8.524 644 HA ASP 90 HA ASP 90 -11.987 14.643 8.170 645 HB2 ASP 90 HB2 ASP 90 -13.711 13.316 10.043 646 HB3 ASP 90 HB3 ASP 90 -12.602 14.372 10.925 647 H ALA 91 H ALA 91 -10.853 12.046 10.279 648 HA ALA 91 HA ALA 91 -8.873 11.709 11.352 649 HB1 ALA 91 HB1 ALA 91 -7.793 13.956 9.660 650 HB2 ALA 91 HB2 ALA 91 -6.879 12.668 10.445 651 HB3 ALA 91 HB3 ALA 91 -7.961 12.291 9.104 652 H TYR 92 H TYR 92 -10.846 13.985 12.053 653 HA TYR 92 HA TYR 92 -9.288 15.955 13.404 654 HB2 TYR 92 HB2 TYR 92 -12.100 15.393 12.938 655 HB3 TYR 92 HB3 TYR 92 -11.815 15.906 14.602 656 HD1 TYR 92 HD1 TYR 92 -10.998 18.139 15.117 657 HD2 TYR 92 HD2 TYR 92 -11.698 16.942 11.095 658 HE1 TYR 92 HE1 TYR 92 -10.893 20.490 14.406 659 HE2 TYR 92 HE2 TYR 92 -11.593 19.290 10.372 660 HH TYR 92 HH TYR 92 -11.992 21.579 11.490 661 H ASP 93 H ASP 93 -8.242 15.750 15.258 662 HA ASP 93 HA ASP 93 -9.346 14.268 17.464 663 HB2 ASP 93 HB2 ASP 93 -7.669 12.875 15.710 664 HB3 ASP 93 HB3 ASP 93 -6.637 13.301 17.081 665 H CYS 94 H CYS 94 -7.569 14.213 19.300 666 HA CYS 94 HA CYS 94 -6.894 16.939 19.794 667 HB2 CYS 94 HB2 CYS 94 -5.963 16.112 21.914 668 HB3 CYS 94 HB3 CYS 94 -7.580 15.470 21.616 669 H ASP 95 H ASP 95 -4.854 17.876 20.040 670 HA ASP 95 HA ASP 95 -2.426 16.474 19.594 671 HB2 ASP 95 HB2 ASP 95 -3.540 16.609 17.265 672 HB3 ASP 95 HB3 ASP 95 -3.137 18.330 17.335 673 H ALA 96 H ALA 96 -3.551 18.378 21.443 674 HA ALA 96 HA ALA 96 -2.700 21.000 21.091 675 HB1 ALA 96 HB1 ALA 96 -2.420 20.783 23.731 676 HB2 ALA 96 HB2 ALA 96 -3.999 20.845 22.946 677 HB3 ALA 96 HB3 ALA 96 -3.316 19.293 23.431 678 H ALA 97 H ALA 97 -0.895 18.143 22.001 679 HA ALA 97 HA ALA 97 1.415 19.390 23.005 680 HB1 ALA 97 HB1 ALA 97 0.863 16.980 23.250 681 HB2 ALA 97 HB2 ALA 97 1.279 16.754 21.551 682 HB3 ALA 97 HB3 ALA 97 2.512 17.277 22.699 683 H LYS 98 H LYS 98 0.335 18.731 19.744 684 HA LYS 98 HA LYS 98 1.167 19.276 17.697 685 HB2 LYS 98 HB2 LYS 98 2.136 21.449 19.496 686 HB3 LYS 98 HB3 LYS 98 2.804 21.369 17.857 687 HG2 LYS 98 HG2 LYS 98 -0.152 21.443 18.454 688 HG3 LYS 98 HG3 LYS 98 0.832 22.879 18.123 689 HD2 LYS 98 HD2 LYS 98 1.256 22.242 15.908 690 HD3 LYS 98 HD3 LYS 98 0.791 20.559 16.220 691 HE2 LYS 98 HE2 LYS 98 -1.016 21.450 15.009 692 HE3 LYS 98 HE3 LYS 98 -1.546 21.464 16.697 693 HZ1 LYS 98 HZ1 LYS 98 -0.362 23.818 15.335 694 HZ2 LYS 98 HZ2 LYS 98 -1.109 23.782 16.852 695 HZ3 LYS 98 HZ3 LYS 98 -2.027 23.540 15.453 696 H ARG 99 H ARG 99 3.414 19.892 16.553 697 HA ARG 99 HA ARG 99 5.064 17.638 16.869 698 HB2 ARG 99 HB2 ARG 99 5.255 20.200 15.328 699 HB3 ARG 99 HB3 ARG 99 6.674 19.149 15.436 700 HG2 ARG 99 HG2 ARG 99 4.888 17.307 14.716 701 HG3 ARG 99 HG3 ARG 99 4.117 18.736 14.008 702 HD2 ARG 99 HD2 ARG 99 5.460 18.347 12.245 703 HD3 ARG 99 HD3 ARG 99 6.706 19.098 13.252 704 HE ARG 99 HE ARG 99 7.743 17.075 13.370 705 HH11 ARG 99 HH11 ARG 99 4.398 16.554 12.563 706 HH12 ARG 99 HH12 ARG 99 4.580 14.845 12.347 707 HH21 ARG 99 HH21 ARG 99 7.997 14.825 13.089 708 HH22 ARG 99 HH22 ARG 99 6.628 13.862 12.646 709 H GLY 100 H GLY 100 6.150 21.016 17.229 710 HA2 GLY 100 HA2 GLY 100 7.007 21.535 19.569 711 HA3 GLY 100 HA3 GLY 100 7.973 20.084 19.359 Start of MODEL 2 1 H1 GLY 1 H GLY 1 28.900 8.085 37.904 2 HA2 GLY 1 HA2 GLY 1 27.882 6.060 36.876 3 HA3 GLY 1 HA3 GLY 1 26.560 7.102 36.382 4 H SER 2 H SER 2 26.646 7.169 34.229 5 HA SER 2 HA SER 2 28.733 8.566 32.919 6 HB2 SER 2 HB2 SER 2 29.095 5.725 33.192 7 HB3 SER 2 HB3 SER 2 28.852 6.127 31.484 8 HG SER 2 HG SER 2 30.942 6.520 31.671 9 H ARG 3 H ARG 3 28.466 8.065 30.370 10 HA ARG 3 HA ARG 3 25.731 7.510 29.623 11 HB2 ARG 3 HB2 ARG 3 25.271 9.678 28.642 12 HB3 ARG 3 HB3 ARG 3 25.621 9.863 30.368 13 HG2 ARG 3 HG2 ARG 3 26.947 11.538 29.676 14 HG3 ARG 3 HG3 ARG 3 28.087 10.225 29.334 15 HD2 ARG 3 HD2 ARG 3 27.321 10.121 27.016 16 HD3 ARG 3 HD3 ARG 3 26.131 11.387 27.353 17 HE ARG 3 HE ARG 3 27.783 12.936 27.093 18 HH11 ARG 3 HH11 ARG 3 29.248 9.850 27.760 19 HH12 ARG 3 HH12 ARG 3 30.867 10.418 27.518 20 HH21 ARG 3 HH21 ARG 3 29.909 13.697 26.773 21 HH22 ARG 3 HH22 ARG 3 31.242 12.608 26.958 22 H ARG 4 H ARG 4 25.454 7.215 27.387 23 HA ARG 4 HA ARG 4 27.677 7.640 25.590 24 HB2 ARG 4 HB2 ARG 4 27.816 5.255 24.914 25 HB3 ARG 4 HB3 ARG 4 28.370 5.546 26.570 26 HG2 ARG 4 HG2 ARG 4 25.806 4.953 27.081 27 HG3 ARG 4 HG3 ARG 4 26.041 4.020 25.594 28 HD2 ARG 4 HD2 ARG 4 28.335 3.468 27.024 29 HD3 ARG 4 HD3 ARG 4 27.090 3.561 28.277 30 HE ARG 4 HE ARG 4 26.186 1.975 26.116 31 HH11 ARG 4 HH11 ARG 4 28.371 1.927 28.825 32 HH12 ARG 4 HH12 ARG 4 28.304 0.206 29.016 33 HH21 ARG 4 HH21 ARG 4 26.089 -0.291 26.357 34 HH22 ARG 4 HH22 ARG 4 27.006 -1.055 27.611 35 H ALA 5 H ALA 5 27.118 6.758 23.354 36 HA ALA 5 HA ALA 5 24.358 7.502 22.790 37 HB1 ALA 5 HB1 ALA 5 25.196 7.347 20.380 38 HB2 ALA 5 HB2 ALA 5 25.860 8.629 21.395 39 HB3 ALA 5 HB3 ALA 5 26.804 7.171 21.084 40 H SER 6 H SER 6 23.531 6.227 20.691 41 HA SER 6 HA SER 6 24.043 3.382 20.838 42 HB2 SER 6 HB2 SER 6 21.487 4.634 21.819 43 HB3 SER 6 HB3 SER 6 21.478 3.008 21.110 44 HG SER 6 HG SER 6 22.733 2.269 22.733 45 H VAL 7 H VAL 7 23.763 2.442 18.905 46 HA VAL 7 HA VAL 7 21.921 3.581 16.960 47 HB VAL 7 HB VAL 7 23.618 3.684 15.182 48 HG11 VAL 7 HG11 VAL 7 24.704 5.749 15.900 49 HG12 VAL 7 HG12 VAL 7 23.013 5.714 16.404 50 HG13 VAL 7 HG13 VAL 7 24.291 5.391 17.577 51 HG21 VAL 7 HG21 VAL 7 25.948 3.812 16.886 52 HG22 VAL 7 HG22 VAL 7 25.176 2.227 16.969 53 HG23 VAL 7 HG23 VAL 7 25.682 2.882 15.411 54 H GLY 8 H GLY 8 22.349 2.221 14.767 55 HA2 GLY 8 HA2 GLY 8 21.840 -0.523 15.565 56 HA3 GLY 8 HA3 GLY 8 21.654 0.141 13.952 57 H SER 9 H SER 9 23.018 -0.633 12.505 58 HA SER 9 HA SER 9 25.796 -0.730 12.792 59 HB2 SER 9 HB2 SER 9 26.329 -2.781 13.576 60 HB3 SER 9 HB3 SER 9 24.679 -2.790 14.222 61 HG SER 9 HG SER 9 25.634 -3.964 11.835 62 H GLU 10 H GLU 10 22.930 -2.066 11.271 63 HA GLU 10 HA GLU 10 22.395 -2.461 9.096 64 HB2 GLU 10 HB2 GLU 10 24.341 -0.308 9.034 65 HB3 GLU 10 HB3 GLU 10 24.428 -1.304 7.575 66 HG2 GLU 10 HG2 GLU 10 22.925 0.580 7.261 67 HG3 GLU 10 HG3 GLU 10 22.059 -0.960 7.168 68 H PHE 11 H PHE 11 23.112 -3.601 7.115 69 HA PHE 11 HA PHE 11 25.634 -4.973 7.152 70 HB2 PHE 11 HB2 PHE 11 23.488 -6.150 8.565 71 HB3 PHE 11 HB3 PHE 11 23.657 -7.066 7.066 72 HD1 PHE 11 HD1 PHE 11 25.329 -6.093 10.178 73 HD2 PHE 11 HD2 PHE 11 25.594 -8.406 6.615 74 HE1 PHE 11 HE1 PHE 11 27.236 -7.326 11.125 75 HE2 PHE 11 HE2 PHE 11 27.501 -9.644 7.557 76 HZ PHE 11 HZ PHE 11 28.323 -9.105 9.816 77 H MET 12 H MET 12 26.214 -5.073 5.095 78 HA MET 12 HA MET 12 26.143 -5.194 2.825 79 HB2 MET 12 HB2 MET 12 24.258 -7.177 3.813 80 HB3 MET 12 HB3 MET 12 23.803 -6.575 2.211 81 HG2 MET 12 HG2 MET 12 25.782 -7.320 1.218 82 HG3 MET 12 HG3 MET 12 26.597 -7.480 2.776 83 HE1 MET 12 HE1 MET 12 25.631 -8.960 0.027 84 HE2 MET 12 HE2 MET 12 26.287 -10.505 0.566 85 HE3 MET 12 HE3 MET 12 24.556 -10.339 0.264 86 H VAL 13 H VAL 13 24.465 -4.918 0.870 87 HA VAL 13 HA VAL 13 22.458 -2.897 1.522 88 HB VAL 13 HB VAL 13 23.311 -1.430 -0.332 89 HG11 VAL 13 HG11 VAL 13 23.679 -1.019 2.117 90 HG12 VAL 13 HG12 VAL 13 25.276 -1.746 1.930 91 HG13 VAL 13 HG13 VAL 13 24.867 -0.272 1.050 92 HG21 VAL 13 HG21 VAL 13 24.755 -3.263 -1.309 93 HG22 VAL 13 HG22 VAL 13 25.509 -1.675 -1.174 94 HG23 VAL 13 HG23 VAL 13 25.895 -2.937 -0.004 95 H VAL 14 H VAL 14 20.883 -2.586 -0.098 96 HA VAL 14 HA VAL 14 20.782 -4.770 -2.069 97 HB VAL 14 HB VAL 14 18.377 -4.556 -2.058 98 HG11 VAL 14 HG11 VAL 14 18.033 -5.660 -0.103 99 HG12 VAL 14 HG12 VAL 14 19.798 -5.661 -0.091 100 HG13 VAL 14 HG13 VAL 14 18.909 -4.466 0.855 101 HG21 VAL 14 HG21 VAL 14 17.446 -2.587 -1.613 102 HG22 VAL 14 HG22 VAL 14 17.817 -2.844 0.092 103 HG23 VAL 14 HG23 VAL 14 18.955 -1.974 -0.937 104 H ASP 15 H ASP 15 18.938 -3.945 -3.816 105 HA ASP 15 HA ASP 15 20.347 -2.160 -5.482 106 HB2 ASP 15 HB2 ASP 15 18.344 -3.985 -5.854 107 HB3 ASP 15 HB3 ASP 15 17.470 -2.459 -6.033 108 H VAL 16 H VAL 16 18.604 -0.414 -6.588 109 HA VAL 16 HA VAL 16 18.334 1.576 -4.470 110 HB VAL 16 HB VAL 16 19.513 2.060 -6.671 111 HG11 VAL 16 HG11 VAL 16 16.824 2.591 -7.834 112 HG12 VAL 16 HG12 VAL 16 18.364 2.288 -8.641 113 HG13 VAL 16 HG13 VAL 16 17.474 0.954 -7.908 114 HG21 VAL 16 HG21 VAL 16 19.225 4.182 -6.074 115 HG22 VAL 16 HG22 VAL 16 17.563 4.167 -6.662 116 HG23 VAL 16 HG23 VAL 16 17.917 3.663 -5.010 117 H THR 17 H THR 17 16.426 -0.724 -5.039 118 HA THR 17 HA THR 17 13.983 0.805 -5.599 119 HB THR 17 HB THR 17 12.867 -1.367 -5.865 120 HG1 THR 17 HG1 THR 17 14.229 -3.261 -5.856 121 HG21 THR 17 HG21 THR 17 15.184 -0.534 -7.483 122 HG22 THR 17 HG22 THR 17 13.516 -0.843 -7.965 123 HG23 THR 17 HG23 THR 17 14.634 -2.189 -7.746 124 H ILE 18 H ILE 18 12.661 1.356 -3.997 125 HA ILE 18 HA ILE 18 12.845 -0.122 -1.455 126 HB ILE 18 HB ILE 18 12.146 2.800 -1.639 127 HG12 ILE 18 HG12 ILE 18 14.393 2.546 -2.534 128 HG13 ILE 18 HG13 ILE 18 14.464 3.272 -0.918 129 HG21 ILE 18 HG21 ILE 18 12.929 2.673 0.778 130 HG22 ILE 18 HG22 ILE 18 11.400 1.886 0.391 131 HG23 ILE 18 HG23 ILE 18 12.863 0.920 0.591 132 HD11 ILE 18 HD11 ILE 18 15.700 0.873 -1.875 133 HD12 ILE 18 HD12 ILE 18 15.929 1.721 -0.345 134 HD13 ILE 18 HD13 ILE 18 14.652 0.516 -0.503 135 H GLU 19 H GLU 19 10.905 -0.188 -0.175 136 HA GLU 19 HA GLU 19 8.700 -0.734 0.041 137 HB2 GLU 19 HB2 GLU 19 8.653 1.896 -1.412 138 HB3 GLU 19 HB3 GLU 19 7.144 1.059 -1.013 139 HG2 GLU 19 HG2 GLU 19 8.534 1.008 1.369 140 HG3 GLU 19 HG3 GLU 19 8.928 2.593 0.687 141 H ASP 20 H ASP 20 9.988 -2.099 -2.044 142 HA ASP 20 HA ASP 20 7.845 -2.309 -4.055 143 HB2 ASP 20 HB2 ASP 20 10.618 -1.954 -4.411 144 HB3 ASP 20 HB3 ASP 20 10.280 -3.633 -4.854 145 H SER 21 H SER 21 8.025 -3.589 -1.394 146 HA SER 21 HA SER 21 7.083 -6.137 -2.061 147 HB2 SER 21 HB2 SER 21 9.938 -5.969 -2.001 148 HB3 SER 21 HB3 SER 21 9.405 -6.934 -0.614 149 HG SER 21 HG SER 21 9.562 -7.697 -3.134 150 H TYR 22 H TYR 22 5.529 -5.978 -0.556 151 HA TYR 22 HA TYR 22 6.198 -5.155 2.157 152 HB2 TYR 22 HB2 TYR 22 3.481 -5.911 1.061 153 HB3 TYR 22 HB3 TYR 22 3.828 -5.006 2.537 154 HD1 TYR 22 HD2 TYR 22 5.413 -2.841 2.045 155 HD2 TYR 22 HD1 TYR 22 2.694 -4.630 -0.695 156 HE1 TYR 22 HE2 TYR 22 5.266 -0.718 0.812 157 HE2 TYR 22 HE1 TYR 22 2.541 -2.513 -1.936 158 HH TYR 22 HH TYR 22 3.150 0.263 -0.920 159 H SER 23 H SER 23 5.666 -6.410 4.001 160 HA SER 23 HA SER 23 5.489 -8.305 5.254 161 HB2 SER 23 HB2 SER 23 3.856 -8.833 2.943 162 HB3 SER 23 HB3 SER 23 4.701 -10.315 3.423 163 HG SER 23 HG SER 23 2.686 -10.011 4.520 164 H THR 24 H THR 24 6.236 -9.794 2.117 165 HA THR 24 HA THR 24 9.007 -10.021 2.479 166 HB THR 24 HB THR 24 8.555 -12.739 2.766 167 HG1 THR 24 HG1 THR 24 7.186 -12.953 4.517 168 HG21 THR 24 HG21 THR 24 10.379 -12.149 3.944 169 HG22 THR 24 HG22 THR 24 9.255 -11.948 5.287 170 HG23 THR 24 HG23 THR 24 9.734 -10.553 4.322 171 H GLU 25 H GLU 25 6.690 -12.550 1.530 172 HA GLU 25 HA GLU 25 7.915 -12.625 -1.114 173 HB2 GLU 25 HB2 GLU 25 7.661 -14.765 -0.099 174 HB3 GLU 25 HB3 GLU 25 5.966 -14.441 0.300 175 HG2 GLU 25 HG2 GLU 25 5.280 -14.629 -1.950 176 HG3 GLU 25 HG3 GLU 25 6.951 -14.574 -2.531 177 H SER 26 H SER 26 4.525 -13.076 -0.149 178 HA SER 26 HA SER 26 3.459 -12.118 -2.552 179 HB2 SER 26 HB2 SER 26 2.223 -12.313 0.210 180 HB3 SER 26 HB3 SER 26 1.310 -11.936 -1.261 181 HG SER 26 HG SER 26 1.131 -14.080 -1.161 182 H ALA 27 H ALA 27 2.381 -10.168 -3.058 183 HA ALA 27 HA ALA 27 3.087 -7.870 -1.358 184 HB1 ALA 27 HB1 ALA 27 3.001 -7.029 -4.068 185 HB2 ALA 27 HB2 ALA 27 4.365 -7.011 -2.951 186 HB3 ALA 27 HB3 ALA 27 4.068 -8.428 -3.958 187 H TRP 28 H TRP 28 1.775 -5.903 -1.899 188 HA TRP 28 HA TRP 28 -1.002 -6.717 -2.392 189 HB2 TRP 28 HB2 TRP 28 0.269 -4.536 -0.771 190 HB3 TRP 28 HB3 TRP 28 -1.379 -4.326 -1.358 191 HD1 TRP 28 HD1 TRP 28 0.420 -5.684 1.526 192 HE1 TRP 28 HE1 TRP 28 -1.117 -7.168 2.960 193 HE3 TRP 28 HE3 TRP 28 -3.446 -6.273 -1.768 194 HZ2 TRP 28 HZ2 TRP 28 -3.634 -8.424 2.726 195 HZ3 TRP 28 HZ3 TRP 28 -5.380 -7.631 -1.085 196 HH2 TRP 28 HH2 TRP 28 -5.470 -8.684 1.116 197 H VAL 29 H VAL 29 -2.163 -5.895 -4.039 198 HA VAL 29 HA VAL 29 -1.021 -3.664 -5.577 199 HB VAL 29 HB VAL 29 -0.486 -5.745 -6.760 200 HG11 VAL 29 HG11 VAL 29 -2.161 -7.248 -6.055 201 HG12 VAL 29 HG12 VAL 29 -3.457 -6.184 -6.607 202 HG13 VAL 29 HG13 VAL 29 -2.432 -7.010 -7.781 203 HG21 VAL 29 HG21 VAL 29 -1.224 -3.544 -7.900 204 HG22 VAL 29 HG22 VAL 29 -1.108 -5.010 -8.875 205 HG23 VAL 29 HG23 VAL 29 -2.683 -4.440 -8.323 206 H ARG 30 H ARG 30 -2.487 -2.271 -6.524 207 HA ARG 30 HA ARG 30 -5.282 -2.640 -5.678 208 HB2 ARG 30 HB2 ARG 30 -4.063 -0.680 -4.736 209 HB3 ARG 30 HB3 ARG 30 -3.876 -0.061 -6.384 210 HG2 ARG 30 HG2 ARG 30 -6.586 -0.527 -6.214 211 HG3 ARG 30 HG3 ARG 30 -6.165 0.061 -4.597 212 HD2 ARG 30 HD2 ARG 30 -6.751 1.955 -5.955 213 HD3 ARG 30 HD3 ARG 30 -5.008 1.991 -5.657 214 HE ARG 30 HE ARG 30 -5.720 0.682 -8.113 215 HH11 ARG 30 HH11 ARG 30 -5.040 3.739 -6.592 216 HH12 ARG 30 HH12 ARG 30 -4.564 4.514 -8.067 217 HH21 ARG 30 HH21 ARG 30 -5.096 1.691 -10.060 218 HH22 ARG 30 HH22 ARG 30 -4.596 3.348 -10.039 219 H CYS 31 H CYS 31 -6.947 -2.371 -7.126 220 HA CYS 31 HA CYS 31 -6.306 -2.813 -9.887 221 HB2 CYS 31 HB2 CYS 31 -8.222 -3.914 -8.795 222 HB3 CYS 31 HB3 CYS 31 -8.986 -2.339 -8.564 223 H ASP 32 H ASP 32 -6.523 -1.449 -11.603 224 HA ASP 32 HA ASP 32 -6.800 1.392 -10.953 225 HB2 ASP 32 HB2 ASP 32 -4.887 0.167 -12.390 226 HB3 ASP 32 HB3 ASP 32 -6.032 0.528 -13.690 227 H ASP 33 H ASP 33 -9.144 -0.243 -11.035 228 HA ASP 33 HA ASP 33 -10.605 1.194 -13.118 229 HB2 ASP 33 HB2 ASP 33 -10.073 -1.031 -14.059 230 HB3 ASP 33 HB3 ASP 33 -10.881 -1.787 -12.678 231 H CYS 34 H CYS 34 -10.755 -0.894 -10.265 232 HA CYS 34 HA CYS 34 -13.237 0.489 -9.481 233 HB2 CYS 34 HB2 CYS 34 -13.890 -1.509 -8.252 234 HB3 CYS 34 HB3 CYS 34 -13.597 -1.904 -9.946 235 H PHE 35 H PHE 35 -9.993 -0.006 -8.770 236 HA PHE 35 HA PHE 35 -8.650 0.623 -7.047 237 HB2 PHE 35 HB2 PHE 35 -11.083 2.094 -6.003 238 HB3 PHE 35 HB3 PHE 35 -9.397 2.413 -5.591 239 HD1 PHE 35 HD1 PHE 35 -7.824 3.179 -7.439 240 HD2 PHE 35 HD2 PHE 35 -12.063 3.189 -7.825 241 HE1 PHE 35 HE1 PHE 35 -7.649 4.795 -9.286 242 HE2 PHE 35 HE2 PHE 35 -11.895 4.804 -9.673 243 HZ PHE 35 HZ PHE 35 -9.686 5.609 -10.408 244 H LYS 36 H LYS 36 -8.867 -1.717 -6.510 245 HA LYS 36 HA LYS 36 -9.849 -1.986 -3.759 246 HB2 LYS 36 HB2 LYS 36 -11.237 -3.070 -5.842 247 HB3 LYS 36 HB3 LYS 36 -10.151 -4.403 -5.417 248 HG2 LYS 36 HG2 LYS 36 -12.014 -4.846 -4.126 249 HG3 LYS 36 HG3 LYS 36 -10.951 -3.986 -2.998 250 HD2 LYS 36 HD2 LYS 36 -12.152 -1.901 -3.404 251 HD3 LYS 36 HD3 LYS 36 -13.186 -2.721 -4.586 252 HE2 LYS 36 HE2 LYS 36 -13.590 -4.348 -2.494 253 HE3 LYS 36 HE3 LYS 36 -13.211 -2.854 -1.625 254 HZ1 LYS 36 HZ1 LYS 36 -15.545 -2.927 -1.954 255 HZ2 LYS 36 HZ2 LYS 36 -15.382 -3.269 -3.604 256 HZ3 LYS 36 HZ3 LYS 36 -14.942 -1.748 -3.007 257 H TRP 37 H TRP 37 -8.586 -3.220 -2.433 258 HA TRP 37 HA TRP 37 -5.905 -3.711 -3.270 259 HB2 TRP 37 HB2 TRP 37 -7.458 -3.992 -0.742 260 HB3 TRP 37 HB3 TRP 37 -5.975 -4.933 -0.889 261 HD1 TRP 37 HD1 TRP 37 -6.883 -1.925 0.673 262 HE1 TRP 37 HE1 TRP 37 -4.985 -0.187 0.732 263 HE3 TRP 37 HE3 TRP 37 -3.849 -3.914 -2.929 264 HZ2 TRP 37 HZ2 TRP 37 -2.528 0.279 -0.576 265 HZ3 TRP 37 HZ3 TRP 37 -1.743 -2.761 -3.465 266 HH2 TRP 37 HH2 TRP 37 -1.098 -0.708 -2.312 267 H ARG 38 H ARG 38 -4.838 -5.633 -3.615 268 HA ARG 38 HA ARG 38 -6.322 -8.133 -3.440 269 HB2 ARG 38 HB2 ARG 38 -6.249 -6.774 -5.838 270 HB3 ARG 38 HB3 ARG 38 -4.899 -7.909 -5.986 271 HG2 ARG 38 HG2 ARG 38 -6.529 -9.246 -6.803 272 HG3 ARG 38 HG3 ARG 38 -6.735 -9.605 -5.082 273 HD2 ARG 38 HD2 ARG 38 -8.499 -7.889 -4.932 274 HD3 ARG 38 HD3 ARG 38 -8.302 -7.568 -6.660 275 HE ARG 38 HE ARG 38 -8.815 -10.250 -6.514 276 HH11 ARG 38 HH11 ARG 38 -10.425 -7.359 -5.436 277 HH12 ARG 38 HH12 ARG 38 -12.014 -8.036 -5.572 278 HH21 ARG 38 HH21 ARG 38 -10.902 -11.154 -6.697 279 HH22 ARG 38 HH22 ARG 38 -12.284 -10.195 -6.289 280 H ARG 39 H ARG 39 -5.059 -9.677 -2.643 281 HA ARG 39 HA ARG 39 -2.217 -9.189 -2.367 282 HB2 ARG 39 HB2 ARG 39 -3.904 -10.212 -0.626 283 HB3 ARG 39 HB3 ARG 39 -3.537 -11.721 -1.477 284 HG2 ARG 39 HG2 ARG 39 -1.034 -10.773 -1.070 285 HG3 ARG 39 HG3 ARG 39 -1.877 -10.137 0.354 286 HD2 ARG 39 HD2 ARG 39 -2.802 -12.512 0.657 287 HD3 ARG 39 HD3 ARG 39 -1.564 -12.997 -0.509 288 HE ARG 39 HE ARG 39 -0.546 -11.458 1.701 289 HH11 ARG 39 HH11 ARG 39 -1.348 -14.640 0.537 290 HH12 ARG 39 HH12 ARG 39 -0.272 -15.451 1.627 291 HH21 ARG 39 HH21 ARG 39 0.873 -12.515 3.140 292 HH22 ARG 39 HH22 ARG 39 0.990 -14.241 3.107 293 H ILE 40 H ILE 40 -0.765 -9.867 -3.787 294 HA ILE 40 HA ILE 40 -1.346 -12.294 -5.353 295 HB ILE 40 HB ILE 40 -0.373 -11.367 -7.306 296 HG12 ILE 40 HG12 ILE 40 0.390 -9.013 -5.563 297 HG13 ILE 40 HG13 ILE 40 1.492 -10.172 -6.327 298 HG21 ILE 40 HG21 ILE 40 -1.827 -9.483 -7.793 299 HG22 ILE 40 HG22 ILE 40 -2.694 -10.705 -6.863 300 HG23 ILE 40 HG23 ILE 40 -2.115 -9.239 -6.070 301 HD11 ILE 40 HD11 ILE 40 0.622 -9.365 -8.548 302 HD12 ILE 40 HD12 ILE 40 -0.165 -8.058 -7.662 303 HD13 ILE 40 HD13 ILE 40 1.590 -8.214 -7.628 304 HA PRO 41 HA PRO 41 2.543 -13.855 -4.035 305 HB2 PRO 41 HB2 PRO 41 3.242 -15.394 -6.190 306 HB3 PRO 41 HB3 PRO 41 1.959 -15.826 -5.060 307 HG2 PRO 41 HG2 PRO 41 1.765 -14.484 -7.735 308 HG3 PRO 41 HG3 PRO 41 0.774 -15.832 -7.062 309 HD2 PRO 41 HD2 PRO 41 -0.102 -13.264 -7.133 310 HD3 PRO 41 HD3 PRO 41 -0.533 -14.387 -5.832 311 H ALA 42 H ALA 42 4.805 -13.710 -4.354 312 HA ALA 42 HA ALA 42 5.678 -11.330 -5.617 313 HB1 ALA 42 HB1 ALA 42 6.679 -12.956 -3.664 314 HB2 ALA 42 HB2 ALA 42 7.768 -13.284 -5.012 315 HB3 ALA 42 HB3 ALA 42 7.555 -11.631 -4.432 316 H SER 43 H SER 43 5.072 -14.414 -6.839 317 HA SER 43 HA SER 43 7.094 -14.461 -8.872 318 HB2 SER 43 HB2 SER 43 5.015 -16.223 -7.902 319 HB3 SER 43 HB3 SER 43 4.966 -16.122 -9.671 320 HG SER 43 HG SER 43 7.073 -16.803 -9.770 321 H VAL 44 H VAL 44 3.728 -13.453 -8.671 322 HA VAL 44 HA VAL 44 3.686 -12.752 -11.502 323 HB VAL 44 HB VAL 44 1.711 -13.840 -10.386 324 HG11 VAL 44 HG11 VAL 44 1.388 -11.122 -9.119 325 HG12 VAL 44 HG12 VAL 44 0.241 -12.459 -9.026 326 HG13 VAL 44 HG13 VAL 44 1.828 -12.603 -8.270 327 HG21 VAL 44 HG21 VAL 44 0.476 -11.395 -11.297 328 HG22 VAL 44 HG22 VAL 44 1.825 -11.854 -12.337 329 HG23 VAL 44 HG23 VAL 44 0.505 -12.988 -12.053 330 H VAL 45 H VAL 45 3.891 -11.257 -8.356 331 HA VAL 45 HA VAL 45 3.190 -8.637 -8.948 332 HB VAL 45 HB VAL 45 3.921 -9.753 -6.691 333 HG11 VAL 45 HG11 VAL 45 6.134 -9.390 -5.991 334 HG12 VAL 45 HG12 VAL 45 6.275 -10.080 -7.609 335 HG13 VAL 45 HG13 VAL 45 6.487 -8.345 -7.366 336 HG21 VAL 45 HG21 VAL 45 4.819 -7.203 -6.176 337 HG22 VAL 45 HG22 VAL 45 3.828 -6.995 -7.621 338 HG23 VAL 45 HG23 VAL 45 3.135 -7.726 -6.173 339 H GLY 46 H GLY 46 6.008 -10.437 -9.853 340 HA2 GLY 46 HA2 GLY 46 7.395 -7.998 -10.713 341 HA3 GLY 46 HA3 GLY 46 8.102 -9.602 -10.895 342 H SER 47 H SER 47 4.985 -9.294 -12.058 343 HA SER 47 HA SER 47 6.156 -9.309 -14.750 344 HB2 SER 47 HB2 SER 47 4.184 -11.323 -13.638 345 HB3 SER 47 HB3 SER 47 4.520 -11.128 -15.367 346 HG SER 47 HG SER 47 6.235 -12.291 -15.097 347 H ILE 48 H ILE 48 3.253 -9.005 -12.759 348 HA ILE 48 HA ILE 48 1.652 -7.892 -14.852 349 HB ILE 48 HB ILE 48 0.040 -7.355 -13.075 350 HG12 ILE 48 HG12 ILE 48 0.805 -8.471 -10.772 351 HG13 ILE 48 HG13 ILE 48 2.398 -7.967 -11.362 352 HG21 ILE 48 HG21 ILE 48 1.254 -10.099 -13.122 353 HG22 ILE 48 HG22 ILE 48 -0.201 -9.739 -12.195 354 HG23 ILE 48 HG23 ILE 48 -0.193 -9.519 -13.944 355 HD11 ILE 48 HD11 ILE 48 0.234 -6.367 -10.263 356 HD12 ILE 48 HD12 ILE 48 1.958 -6.013 -10.401 357 HD13 ILE 48 HD13 ILE 48 0.885 -5.723 -11.770 358 H ASP 49 H ASP 49 4.091 -6.656 -12.856 359 HA ASP 49 HA ASP 49 3.103 -3.913 -12.966 360 HB2 ASP 49 HB2 ASP 49 4.810 -5.368 -11.214 361 HB3 ASP 49 HB3 ASP 49 5.772 -4.077 -11.944 362 H GLU 50 H GLU 50 4.082 -5.591 -15.318 363 HA GLU 50 HA GLU 50 6.455 -4.204 -16.203 364 HB2 GLU 50 HB2 GLU 50 6.338 -5.562 -18.170 365 HB3 GLU 50 HB3 GLU 50 5.962 -6.590 -16.778 366 HG2 GLU 50 HG2 GLU 50 3.533 -6.263 -17.284 367 HG3 GLU 50 HG3 GLU 50 4.028 -5.453 -18.778 368 H SER 51 H SER 51 3.034 -3.843 -16.497 369 HA SER 51 HA SER 51 3.350 -1.873 -18.651 370 HB2 SER 51 HB2 SER 51 1.595 -3.812 -18.667 371 HB3 SER 51 HB3 SER 51 0.691 -2.755 -17.567 372 HG SER 51 HG SER 51 1.496 -2.222 -20.227 373 H SER 52 H SER 52 3.583 -1.849 -15.455 374 HA SER 52 HA SER 52 3.427 -0.249 -13.845 375 HB2 SER 52 HB2 SER 52 2.566 1.709 -15.979 376 HB3 SER 52 HB3 SER 52 3.458 2.031 -14.483 377 HG SER 52 HG SER 52 4.370 1.059 -16.921 378 H ARG 53 H ARG 53 1.231 -1.896 -14.201 379 HA ARG 53 HA ARG 53 -0.774 -0.485 -12.812 380 HB2 ARG 53 HB2 ARG 53 -2.517 -0.279 -14.385 381 HB3 ARG 53 HB3 ARG 53 -1.085 0.386 -15.183 382 HG2 ARG 53 HG2 ARG 53 -1.060 -2.310 -15.873 383 HG3 ARG 53 HG3 ARG 53 -2.763 -1.828 -15.965 384 HD2 ARG 53 HD2 ARG 53 -0.564 -0.195 -17.229 385 HD3 ARG 53 HD3 ARG 53 -1.358 -1.534 -18.071 386 HE ARG 53 HE ARG 53 -3.234 0.339 -17.004 387 HH11 ARG 53 HH11 ARG 53 -1.070 -0.282 -19.660 388 HH12 ARG 53 HH12 ARG 53 -1.952 0.703 -20.779 389 HH21 ARG 53 HH21 ARG 53 -4.404 1.639 -18.469 390 HH22 ARG 53 HH22 ARG 53 -3.847 1.796 -20.101 391 H TRP 54 H TRP 54 -2.875 -1.864 -12.739 392 HA TRP 54 HA TRP 54 -2.663 -4.638 -13.352 393 HB2 TRP 54 HB2 TRP 54 -1.093 -4.633 -11.493 394 HB3 TRP 54 HB3 TRP 54 -2.267 -3.799 -10.473 395 HD1 TRP 54 HD1 TRP 54 -1.262 -7.242 -11.588 396 HE1 TRP 54 HE1 TRP 54 -2.786 -8.992 -10.473 397 HE3 TRP 54 HE3 TRP 54 -4.810 -4.113 -9.651 398 HZ2 TRP 54 HZ2 TRP 54 -5.175 -9.040 -8.971 399 HZ3 TRP 54 HZ3 TRP 54 -6.682 -5.091 -8.388 400 HH2 TRP 54 HH2 TRP 54 -6.860 -7.503 -8.058 401 H ILE 55 H ILE 55 -4.597 -5.735 -13.039 402 HA ILE 55 HA ILE 55 -6.787 -4.262 -11.760 403 HB ILE 55 HB ILE 55 -8.263 -5.091 -13.695 404 HG12 ILE 55 HG12 ILE 55 -5.521 -5.211 -14.975 405 HG13 ILE 55 HG13 ILE 55 -6.658 -6.556 -14.774 406 HG21 ILE 55 HG21 ILE 55 -6.277 -2.894 -14.258 407 HG22 ILE 55 HG22 ILE 55 -7.891 -3.062 -14.948 408 HG23 ILE 55 HG23 ILE 55 -7.698 -2.733 -13.226 409 HD11 ILE 55 HD11 ILE 55 -8.158 -4.748 -16.166 410 HD12 ILE 55 HD12 ILE 55 -6.547 -4.511 -16.840 411 HD13 ILE 55 HD13 ILE 55 -7.283 -6.113 -16.861 412 H CYS 56 H CYS 56 -8.768 -5.672 -11.533 413 HA CYS 56 HA CYS 56 -8.148 -7.985 -10.100 414 HB2 CYS 56 HB2 CYS 56 -10.794 -7.342 -11.421 415 HB3 CYS 56 HB3 CYS 56 -10.538 -8.410 -10.041 416 H MET 57 H MET 57 -9.533 -7.677 -13.367 417 HA MET 57 HA MET 57 -9.678 -10.407 -13.945 418 HB2 MET 57 HB2 MET 57 -9.665 -9.702 -16.336 419 HB3 MET 57 HB3 MET 57 -10.826 -8.815 -15.334 420 HG2 MET 57 HG2 MET 57 -8.516 -7.276 -15.204 421 HG3 MET 57 HG3 MET 57 -8.589 -7.832 -16.878 422 HE1 MET 57 HE1 MET 57 -10.042 -5.926 -14.055 423 HE2 MET 57 HE2 MET 57 -11.329 -4.926 -14.728 424 HE3 MET 57 HE3 MET 57 -11.644 -6.613 -14.321 425 H ASN 58 H ASN 58 -6.970 -8.313 -13.735 426 HA ASN 58 HA ASN 58 -5.246 -9.978 -15.364 427 HB2 ASN 58 HB2 ASN 58 -5.025 -7.366 -13.970 428 HB3 ASN 58 HB3 ASN 58 -3.531 -8.298 -14.127 429 HD21 ASN 58 HD21 ASN 58 -6.287 -8.048 -16.325 430 HD22 ASN 58 HD22 ASN 58 -5.388 -7.426 -17.663 431 H ASN 59 H ASN 59 -6.409 -10.056 -12.229 432 HA ASN 59 HA ASN 59 -4.225 -10.827 -10.688 433 HB2 ASN 59 HB2 ASN 59 -6.584 -10.334 -9.899 434 HB3 ASN 59 HB3 ASN 59 -7.005 -11.974 -10.409 435 HD21 ASN 59 HD21 ASN 59 -7.570 -12.343 -8.195 436 HD22 ASN 59 HD22 ASN 59 -6.340 -12.731 -7.043 437 H SER 60 H SER 60 -3.275 -12.792 -10.202 438 HA SER 60 HA SER 60 -3.088 -14.667 -12.307 439 HB2 SER 60 HB2 SER 60 -1.356 -14.090 -10.474 440 HB3 SER 60 HB3 SER 60 -2.248 -15.253 -9.474 441 HG SER 60 HG SER 60 -0.883 -16.577 -10.434 442 H ASP 61 H ASP 61 -5.122 -14.452 -9.511 443 HA ASP 61 HA ASP 61 -5.880 -17.192 -9.385 444 HB2 ASP 61 HB2 ASP 61 -6.217 -15.059 -7.737 445 HB3 ASP 61 HB3 ASP 61 -7.827 -15.167 -8.464 446 H LYS 62 H LYS 62 -8.595 -17.270 -9.380 447 HA LYS 62 HA LYS 62 -9.394 -16.447 -12.087 448 HB2 LYS 62 HB2 LYS 62 -10.151 -19.115 -10.897 449 HB3 LYS 62 HB3 LYS 62 -10.323 -18.575 -12.574 450 HG2 LYS 62 HG2 LYS 62 -8.482 -19.844 -12.870 451 HG3 LYS 62 HG3 LYS 62 -7.667 -18.367 -12.326 452 HD2 LYS 62 HD2 LYS 62 -6.747 -20.201 -11.093 453 HD3 LYS 62 HD3 LYS 62 -7.766 -19.257 -9.991 454 HE2 LYS 62 HE2 LYS 62 -9.222 -20.947 -9.677 455 HE3 LYS 62 HE3 LYS 62 -9.197 -21.394 -11.389 456 HZ1 LYS 62 HZ1 LYS 62 -8.262 -23.197 -10.258 457 HZ2 LYS 62 HZ2 LYS 62 -7.307 -22.215 -9.267 458 HZ3 LYS 62 HZ3 LYS 62 -6.932 -22.378 -10.909 459 H ARG 63 H ARG 63 -10.616 -17.854 -9.047 460 HA ARG 63 HA ARG 63 -13.279 -16.953 -9.446 461 HB2 ARG 63 HB2 ARG 63 -11.751 -18.328 -7.347 462 HB3 ARG 63 HB3 ARG 63 -13.050 -17.296 -6.731 463 HG2 ARG 63 HG2 ARG 63 -14.001 -19.434 -6.984 464 HG3 ARG 63 HG3 ARG 63 -14.590 -18.472 -8.350 465 HD2 ARG 63 HD2 ARG 63 -12.736 -19.439 -9.740 466 HD3 ARG 63 HD3 ARG 63 -12.370 -20.510 -8.379 467 HE ARG 63 HE ARG 63 -15.110 -20.679 -9.142 468 HH11 ARG 63 HH11 ARG 63 -11.902 -21.730 -9.989 469 HH12 ARG 63 HH12 ARG 63 -12.442 -23.175 -10.778 470 HH21 ARG 63 HH21 ARG 63 -15.835 -22.577 -10.178 471 HH22 ARG 63 HH22 ARG 63 -14.680 -23.655 -10.886 472 H PHE 64 H PHE 64 -10.422 -15.446 -8.275 473 HA PHE 64 HA PHE 64 -12.011 -13.137 -7.362 474 HB2 PHE 64 HB2 PHE 64 -9.508 -14.376 -6.283 475 HB3 PHE 64 HB3 PHE 64 -9.729 -12.634 -6.119 476 HD1 PHE 64 HD1 PHE 64 -11.494 -15.839 -5.445 477 HD2 PHE 64 HD2 PHE 64 -10.909 -11.773 -4.329 478 HE1 PHE 64 HE1 PHE 64 -12.906 -16.184 -3.459 479 HE2 PHE 64 HE2 PHE 64 -12.319 -12.112 -2.342 480 HZ PHE 64 HZ PHE 64 -13.319 -14.319 -1.904 481 H ALA 65 H ALA 65 -10.891 -13.899 -10.050 482 HA ALA 65 HA ALA 65 -9.104 -11.596 -10.467 483 HB1 ALA 65 HB1 ALA 65 -8.477 -14.052 -11.122 484 HB2 ALA 65 HB2 ALA 65 -9.477 -13.712 -12.534 485 HB3 ALA 65 HB3 ALA 65 -8.067 -12.709 -12.188 486 H ASP 66 H ASP 66 -11.233 -10.384 -10.309 487 HA ASP 66 HA ASP 66 -11.985 -9.485 -12.859 488 HB2 ASP 66 HB2 ASP 66 -13.577 -11.693 -11.748 489 HB3 ASP 66 HB3 ASP 66 -14.535 -10.287 -12.229 490 H CYS 67 H CYS 67 -13.116 -7.571 -12.760 491 HA CYS 67 HA CYS 67 -13.085 -6.175 -10.312 492 HB2 CYS 67 HB2 CYS 67 -14.047 -5.632 -13.077 493 HB3 CYS 67 HB3 CYS 67 -14.677 -4.606 -11.788 494 H SER 68 H SER 68 -15.476 -8.145 -11.843 495 HA SER 68 HA SER 68 -17.749 -7.110 -10.472 496 HB2 SER 68 HB2 SER 68 -18.053 -8.340 -12.538 497 HB3 SER 68 HB3 SER 68 -17.283 -9.773 -11.834 498 HG SER 68 HG SER 68 -19.701 -8.589 -10.928 499 H LYS 69 H LYS 69 -15.262 -9.390 -9.683 500 HA LYS 69 HA LYS 69 -16.641 -10.731 -7.584 501 HB2 LYS 69 HB2 LYS 69 -13.649 -10.408 -7.893 502 HB3 LYS 69 HB3 LYS 69 -14.509 -11.684 -7.015 503 HG2 LYS 69 HG2 LYS 69 -14.534 -11.254 -10.005 504 HG3 LYS 69 HG3 LYS 69 -13.655 -12.517 -9.125 505 HD2 LYS 69 HD2 LYS 69 -15.884 -13.298 -8.221 506 HD3 LYS 69 HD3 LYS 69 -16.640 -12.188 -9.379 507 HE2 LYS 69 HE2 LYS 69 -14.636 -13.797 -10.699 508 HE3 LYS 69 HE3 LYS 69 -15.796 -14.821 -9.839 509 HZ1 LYS 69 HZ1 LYS 69 -17.488 -13.180 -10.985 510 HZ2 LYS 69 HZ2 LYS 69 -16.901 -14.550 -11.785 511 HZ3 LYS 69 HZ3 LYS 69 -16.229 -13.030 -12.106 512 H SER 70 H SER 70 -15.901 -10.640 -5.286 513 HA SER 70 HA SER 70 -15.906 -7.872 -4.409 514 HB2 SER 70 HB2 SER 70 -15.814 -9.490 -2.136 515 HB3 SER 70 HB3 SER 70 -17.266 -8.790 -2.876 516 HG SER 70 HG SER 70 -17.740 -10.878 -2.945 517 H GLN 71 H GLN 71 -14.599 -7.687 -2.156 518 HA GLN 71 HA GLN 71 -11.847 -7.742 -2.942 519 HB2 GLN 71 HB2 GLN 71 -12.998 -5.966 -1.521 520 HB3 GLN 71 HB3 GLN 71 -12.897 -7.124 -0.185 521 HG2 GLN 71 HG2 GLN 71 -10.583 -7.016 -0.073 522 HG3 GLN 71 HG3 GLN 71 -10.445 -6.376 -1.717 523 HE21 GLN 71 HE21 GLN 71 -9.011 -5.054 -0.024 524 HE22 GLN 71 HE22 GLN 71 -9.729 -3.556 0.451 525 H GLU 72 H GLU 72 -10.134 -8.625 -1.496 526 HA GLU 72 HA GLU 72 -10.797 -11.381 -0.818 527 HB2 GLU 72 HB2 GLU 72 -8.060 -10.111 -0.746 528 HB3 GLU 72 HB3 GLU 72 -8.466 -11.827 -0.891 529 HG2 GLU 72 HG2 GLU 72 -9.704 -10.763 -3.090 530 HG3 GLU 72 HG3 GLU 72 -8.247 -9.772 -2.950 531 H MET 73 H MET 73 -9.510 -8.460 0.691 532 HA MET 73 HA MET 73 -10.096 -9.644 3.311 533 HB2 MET 73 HB2 MET 73 -7.546 -8.281 2.453 534 HB3 MET 73 HB3 MET 73 -8.024 -8.391 4.154 535 HG2 MET 73 HG2 MET 73 -8.292 -10.981 3.394 536 HG3 MET 73 HG3 MET 73 -6.969 -10.454 2.353 537 HE1 MET 73 HE1 MET 73 -5.846 -8.161 5.252 538 HE2 MET 73 HE2 MET 73 -4.403 -9.030 4.727 539 HE3 MET 73 HE3 MET 73 -5.569 -8.454 3.534 540 H SER 74 H SER 74 -10.155 -7.939 5.052 541 HA SER 74 HA SER 74 -11.795 -5.753 4.121 542 HB2 SER 74 HB2 SER 74 -10.893 -6.284 6.962 543 HB3 SER 74 HB3 SER 74 -12.310 -5.364 6.425 544 HG SER 74 HG SER 74 -12.121 -7.984 6.917 545 H ASN 75 H ASN 75 -11.402 -3.543 4.488 546 HA ASN 75 HA ASN 75 -8.900 -2.586 3.856 547 HB2 ASN 75 HB2 ASN 75 -11.282 -1.329 5.193 548 HB3 ASN 75 HB3 ASN 75 -9.789 -0.405 4.985 549 HD21 ASN 75 HD21 ASN 75 -8.853 -0.918 2.618 550 HD22 ASN 75 HD22 ASN 75 -9.993 -0.582 1.364 551 H GLU 76 H GLU 76 -10.308 -3.100 7.055 552 HA GLU 76 HA GLU 76 -8.278 -1.894 8.571 553 HB2 GLU 76 HB2 GLU 76 -9.095 -3.357 10.429 554 HB3 GLU 76 HB3 GLU 76 -10.365 -2.429 9.615 555 HG2 GLU 76 HG2 GLU 76 -10.458 -4.703 8.172 556 HG3 GLU 76 HG3 GLU 76 -9.927 -5.336 9.736 557 H GLU 77 H GLU 77 -8.707 -5.276 7.563 558 HA GLU 77 HA GLU 77 -6.426 -6.312 8.812 559 HB2 GLU 77 HB2 GLU 77 -7.777 -7.226 6.261 560 HB3 GLU 77 HB3 GLU 77 -6.621 -8.177 7.207 561 HG2 GLU 77 HG2 GLU 77 -8.414 -7.607 9.129 562 HG3 GLU 77 HG3 GLU 77 -9.467 -7.613 7.708 563 H ILE 78 H ILE 78 -6.872 -4.959 5.569 564 HA ILE 78 HA ILE 78 -4.243 -5.458 4.659 565 HB ILE 78 HB ILE 78 -6.107 -3.265 3.744 566 HG12 ILE 78 HG12 ILE 78 -5.790 -6.037 2.577 567 HG13 ILE 78 HG13 ILE 78 -7.069 -5.610 3.727 568 HG21 ILE 78 HG21 ILE 78 -4.840 -3.688 1.566 569 HG22 ILE 78 HG22 ILE 78 -3.992 -2.818 2.844 570 HG23 ILE 78 HG23 ILE 78 -3.652 -4.526 2.565 571 HD11 ILE 78 HD11 ILE 78 -7.063 -3.701 1.612 572 HD12 ILE 78 HD12 ILE 78 -7.105 -5.329 0.935 573 HD13 ILE 78 HD13 ILE 78 -8.332 -4.826 2.097 574 H ASN 79 H ASN 79 -5.754 -2.591 6.110 575 HA ASN 79 HA ASN 79 -3.567 -0.867 5.943 576 HB2 ASN 79 HB2 ASN 79 -5.094 0.512 6.803 577 HB3 ASN 79 HB3 ASN 79 -6.138 -0.866 7.183 578 HD21 ASN 79 HD21 ASN 79 -6.168 -1.709 9.244 579 HD22 ASN 79 HD22 ASN 79 -5.456 -0.898 10.593 580 H GLU 80 H GLU 80 -4.464 -3.192 8.460 581 HA GLU 80 HA GLU 80 -2.250 -2.521 10.151 582 HB2 GLU 80 HB2 GLU 80 -2.955 -4.344 11.541 583 HB3 GLU 80 HB3 GLU 80 -4.397 -3.481 10.983 584 HG2 GLU 80 HG2 GLU 80 -4.916 -5.178 9.397 585 HG3 GLU 80 HG3 GLU 80 -3.361 -5.978 9.670 586 H GLU 81 H GLU 81 -2.824 -4.768 7.558 587 HA GLU 81 HA GLU 81 -0.697 -6.552 8.063 588 HB2 GLU 81 HB2 GLU 81 -2.537 -7.080 6.534 589 HB3 GLU 81 HB3 GLU 81 -1.987 -5.807 5.433 590 HG2 GLU 81 HG2 GLU 81 -1.324 -8.048 4.680 591 HG3 GLU 81 HG3 GLU 81 0.061 -6.995 4.999 592 H LEU 82 H LEU 82 -0.914 -3.767 5.852 593 HA LEU 82 HA LEU 82 1.913 -3.874 5.285 594 HB2 LEU 82 HB2 LEU 82 -0.128 -1.763 4.567 595 HB3 LEU 82 HB3 LEU 82 1.503 -1.921 3.895 596 HG LEU 82 HG LEU 82 0.157 -4.376 3.446 597 HD11 LEU 82 HD11 LEU 82 -1.986 -3.746 3.332 598 HD12 LEU 82 HD12 LEU 82 -1.524 -2.989 1.809 599 HD13 LEU 82 HD13 LEU 82 -1.582 -2.030 3.287 600 HD21 LEU 82 HD21 LEU 82 0.295 -3.194 1.023 601 HD22 LEU 82 HD22 LEU 82 1.665 -3.963 1.825 602 HD23 LEU 82 HD23 LEU 82 1.452 -2.215 1.924 603 H GLY 83 H GLY 83 -0.219 -2.123 7.414 604 HA2 GLY 83 HA2 GLY 83 0.461 -1.023 9.374 605 HA3 GLY 83 HA3 GLY 83 2.104 -0.979 8.761 606 H ILE 84 H ILE 84 -0.699 0.082 6.935 607 HA ILE 84 HA ILE 84 0.422 2.799 6.949 608 HB ILE 84 HB ILE 84 -0.854 3.189 4.900 609 HG12 ILE 84 HG12 ILE 84 -1.637 0.270 5.101 610 HG13 ILE 84 HG13 ILE 84 -2.721 1.629 5.443 611 HG21 ILE 84 HG21 ILE 84 0.338 0.794 3.919 612 HG22 ILE 84 HG22 ILE 84 0.934 2.449 3.815 613 HG23 ILE 84 HG23 ILE 84 1.350 1.447 5.206 614 HD11 ILE 84 HD11 ILE 84 -1.406 1.682 2.811 615 HD12 ILE 84 HD12 ILE 84 -2.600 0.408 3.065 616 HD13 ILE 84 HD13 ILE 84 -3.056 2.100 3.271 617 H GLY 85 H GLY 85 -1.588 4.376 6.252 618 HA2 GLY 85 HA2 GLY 85 -3.587 3.986 8.393 619 HA3 GLY 85 HA3 GLY 85 -2.948 5.557 7.942 620 H GLN 86 H GLN 86 -4.918 2.856 6.805 621 HA GLN 86 HA GLN 86 -5.892 4.237 4.503 622 HB2 GLN 86 HB2 GLN 86 -6.409 1.656 5.859 623 HB3 GLN 86 HB3 GLN 86 -7.748 2.313 4.904 624 HG2 GLN 86 HG2 GLN 86 -6.540 2.232 2.905 625 HG3 GLN 86 HG3 GLN 86 -4.996 2.070 3.753 626 HE21 GLN 86 HE21 GLN 86 -4.472 0.233 2.555 627 HE22 GLN 86 HE22 GLN 86 -5.210 -1.299 2.864 628 H ASP 87 H ASP 87 -8.227 4.695 4.168 629 HA ASP 87 HA ASP 87 -10.074 5.926 4.667 630 HB2 ASP 87 HB2 ASP 87 -10.815 4.006 5.888 631 HB3 ASP 87 HB3 ASP 87 -9.757 4.396 7.251 632 H GLU 88 H GLU 88 -8.771 7.859 4.505 633 HA GLU 88 HA GLU 88 -7.408 9.100 6.569 634 HB2 GLU 88 HB2 GLU 88 -7.461 9.807 4.160 635 HB3 GLU 88 HB3 GLU 88 -9.048 10.527 4.472 636 HG2 GLU 88 HG2 GLU 88 -8.175 12.174 5.877 637 HG3 GLU 88 HG3 GLU 88 -6.654 11.299 6.093 638 H ALA 89 H ALA 89 -10.756 9.815 5.560 639 HA ALA 89 HA ALA 89 -12.572 10.547 6.721 640 HB1 ALA 89 HB1 ALA 89 -13.000 9.357 8.557 641 HB2 ALA 89 HB2 ALA 89 -11.398 8.648 8.345 642 HB3 ALA 89 HB3 ALA 89 -11.616 10.034 9.415 643 H ASP 90 H ASP 90 -13.228 12.088 8.568 644 HA ASP 90 HA ASP 90 -11.724 14.491 8.243 645 HB2 ASP 90 HB2 ASP 90 -14.185 13.734 9.801 646 HB3 ASP 90 HB3 ASP 90 -13.428 15.317 10.022 647 H ALA 91 H ALA 91 -11.650 11.919 10.494 648 HA ALA 91 HA ALA 91 -10.439 13.474 12.621 649 HB1 ALA 91 HB1 ALA 91 -11.623 11.827 13.633 650 HB2 ALA 91 HB2 ALA 91 -11.398 10.694 12.300 651 HB3 ALA 91 HB3 ALA 91 -10.095 10.963 13.458 652 H TYR 92 H TYR 92 -9.304 12.592 9.761 653 HA TYR 92 HA TYR 92 -7.002 11.111 10.101 654 HB2 TYR 92 HB2 TYR 92 -6.215 12.025 8.060 655 HB3 TYR 92 HB3 TYR 92 -7.975 11.992 7.932 656 HD1 TYR 92 HD2 TYR 92 -9.207 14.202 8.668 657 HD2 TYR 92 HD1 TYR 92 -5.120 14.001 7.500 658 HE1 TYR 92 HE2 TYR 92 -9.242 16.606 8.145 659 HE2 TYR 92 HE1 TYR 92 -5.145 16.404 6.974 660 HH TYR 92 HH TYR 92 -6.326 18.284 7.009 661 H ASP 93 H ASP 93 -4.716 11.981 9.940 662 HA ASP 93 HA ASP 93 -2.976 12.949 11.050 663 HB2 ASP 93 HB2 ASP 93 -3.804 14.813 9.552 664 HB3 ASP 93 HB3 ASP 93 -4.659 15.456 10.962 665 H CYS 94 H CYS 94 -4.002 11.547 12.866 666 HA CYS 94 HA CYS 94 -4.050 13.217 15.246 667 HB2 CYS 94 HB2 CYS 94 -6.454 12.694 14.308 668 HB3 CYS 94 HB3 CYS 94 -6.175 11.117 15.048 669 H ASP 95 H ASP 95 -1.907 11.906 14.832 670 HA ASP 95 HA ASP 95 -0.459 10.360 15.661 671 HB2 ASP 95 HB2 ASP 95 -2.688 9.535 17.534 672 HB3 ASP 95 HB3 ASP 95 -0.947 9.323 17.770 673 H ALA 96 H ALA 96 -2.410 9.706 13.520 674 HA ALA 96 HA ALA 96 -3.163 6.971 13.812 675 HB1 ALA 96 HB1 ALA 96 -4.333 7.357 11.961 676 HB2 ALA 96 HB2 ALA 96 -3.741 9.017 12.024 677 HB3 ALA 96 HB3 ALA 96 -2.886 7.812 11.061 678 H ALA 97 H ALA 97 -0.308 8.623 12.710 679 HA ALA 97 HA ALA 97 0.909 6.721 11.119 680 HB1 ALA 97 HB1 ALA 97 2.351 8.429 13.137 681 HB2 ALA 97 HB2 ALA 97 2.991 7.771 11.631 682 HB3 ALA 97 HB3 ALA 97 1.751 9.025 11.589 683 H LYS 98 H LYS 98 0.458 6.743 14.573 684 HA LYS 98 HA LYS 98 1.526 4.027 14.702 685 HB2 LYS 98 HB2 LYS 98 2.805 4.493 16.730 686 HB3 LYS 98 HB3 LYS 98 3.388 5.473 15.376 687 HG2 LYS 98 HG2 LYS 98 1.328 6.707 17.108 688 HG3 LYS 98 HG3 LYS 98 2.938 6.469 17.812 689 HD2 LYS 98 HD2 LYS 98 3.962 7.915 16.339 690 HD3 LYS 98 HD3 LYS 98 2.725 7.674 15.092 691 HE2 LYS 98 HE2 LYS 98 2.652 9.931 16.148 692 HE3 LYS 98 HE3 LYS 98 1.146 9.013 16.301 693 HZ1 LYS 98 HZ1 LYS 98 2.209 10.230 18.347 694 HZ2 LYS 98 HZ2 LYS 98 3.106 8.801 18.467 695 HZ3 LYS 98 HZ3 LYS 98 1.416 8.748 18.531 696 H ARG 99 H ARG 99 -1.118 4.625 14.646 697 HA ARG 99 HA ARG 99 -2.294 5.069 17.182 698 HB2 ARG 99 HB2 ARG 99 -3.174 4.432 14.485 699 HB3 ARG 99 HB3 ARG 99 -4.123 3.571 15.706 700 HG2 ARG 99 HG2 ARG 99 -3.680 6.420 16.287 701 HG3 ARG 99 HG3 ARG 99 -4.648 6.082 14.842 702 HD2 ARG 99 HD2 ARG 99 -6.424 5.532 16.073 703 HD3 ARG 99 HD3 ARG 99 -5.465 4.364 16.994 704 HE ARG 99 HE ARG 99 -4.920 6.995 17.883 705 HH11 ARG 99 HH11 ARG 99 -7.359 4.512 17.998 706 HH12 ARG 99 HH12 ARG 99 -8.007 5.039 19.518 707 HH21 ARG 99 HH21 ARG 99 -5.764 7.696 19.883 708 HH22 ARG 99 HH22 ARG 99 -7.100 6.849 20.587 709 H GLY 100 H GLY 100 -1.388 2.143 15.419 710 HA2 GLY 100 HA2 GLY 100 -1.795 0.632 17.920 711 HA3 GLY 100 HA3 GLY 100 -2.360 0.011 16.388 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -2.638 13.771 51.877 2 HA2 GLY 1 HA2 GLY 1 -0.633 12.343 50.463 3 HA3 GLY 1 HA3 GLY 1 -0.160 12.540 52.141 4 H SER 2 H SER 2 -0.501 10.033 51.139 5 HA SER 2 HA SER 2 -2.782 9.107 52.711 6 HB2 SER 2 HB2 SER 2 -3.743 9.161 50.512 7 HB3 SER 2 HB3 SER 2 -2.308 8.391 49.812 8 HG SER 2 HG SER 2 -3.667 7.035 51.844 9 H ARG 3 H ARG 3 -2.215 7.473 53.988 10 HA ARG 3 HA ARG 3 0.382 6.210 53.572 11 HB2 ARG 3 HB2 ARG 3 -0.651 7.220 55.807 12 HB3 ARG 3 HB3 ARG 3 -1.313 5.583 55.939 13 HG2 ARG 3 HG2 ARG 3 1.563 5.738 55.294 14 HG3 ARG 3 HG3 ARG 3 1.091 6.312 56.902 15 HD2 ARG 3 HD2 ARG 3 -0.353 4.002 56.722 16 HD3 ARG 3 HD3 ARG 3 1.099 3.592 55.799 17 HE ARG 3 HE ARG 3 2.237 3.477 57.766 18 HH11 ARG 3 HH11 ARG 3 -0.570 5.482 58.235 19 HH12 ARG 3 HH12 ARG 3 -0.301 5.687 59.934 20 HH21 ARG 3 HH21 ARG 3 2.601 3.740 60.003 21 HH22 ARG 3 HH22 ARG 3 1.504 4.696 60.939 22 H ARG 4 H ARG 4 0.006 4.721 51.949 23 HA ARG 4 HA ARG 4 -1.106 2.229 52.762 24 HB2 ARG 4 HB2 ARG 4 -2.941 4.020 51.668 25 HB3 ARG 4 HB3 ARG 4 -2.525 2.938 50.330 26 HG2 ARG 4 HG2 ARG 4 -3.644 1.211 51.205 27 HG3 ARG 4 HG3 ARG 4 -3.041 1.538 52.838 28 HD2 ARG 4 HD2 ARG 4 -4.879 2.689 53.424 29 HD3 ARG 4 HD3 ARG 4 -4.927 3.547 51.878 30 HE ARG 4 HE ARG 4 -5.733 0.904 51.435 31 HH11 ARG 4 HH11 ARG 4 -6.829 3.775 53.072 32 HH12 ARG 4 HH12 ARG 4 -8.509 3.385 52.906 33 HH21 ARG 4 HH21 ARG 4 -7.941 0.380 51.212 34 HH22 ARG 4 HH22 ARG 4 -9.140 1.454 51.848 35 H ALA 5 H ALA 5 -1.403 0.876 50.487 36 HA ALA 5 HA ALA 5 1.228 0.549 49.539 37 HB1 ALA 5 HB1 ALA 5 -0.678 -1.156 49.601 38 HB2 ALA 5 HB2 ALA 5 -1.198 -0.441 48.074 39 HB3 ALA 5 HB3 ALA 5 0.398 -1.183 48.203 40 H SER 6 H SER 6 1.809 0.577 47.175 41 HA SER 6 HA SER 6 0.506 2.684 45.638 42 HB2 SER 6 HB2 SER 6 3.494 2.833 45.911 43 HB3 SER 6 HB3 SER 6 2.338 4.104 45.472 44 HG SER 6 HG SER 6 3.352 3.980 47.736 45 H VAL 7 H VAL 7 1.888 2.952 43.484 46 HA VAL 7 HA VAL 7 3.146 0.537 42.556 47 HB VAL 7 HB VAL 7 0.794 -0.127 42.384 48 HG11 VAL 7 HG11 VAL 7 -0.729 1.032 40.872 49 HG12 VAL 7 HG12 VAL 7 -0.188 2.105 42.165 50 HG13 VAL 7 HG13 VAL 7 0.504 2.250 40.548 51 HG21 VAL 7 HG21 VAL 7 0.938 -1.036 40.259 52 HG22 VAL 7 HG22 VAL 7 1.686 0.409 39.578 53 HG23 VAL 7 HG23 VAL 7 2.622 -0.661 40.621 54 H GLY 8 H GLY 8 4.324 0.847 40.692 55 HA2 GLY 8 HA2 GLY 8 4.790 3.590 39.948 56 HA3 GLY 8 HA3 GLY 8 5.636 2.182 39.327 57 H SER 9 H SER 9 4.447 0.844 37.735 58 HA SER 9 HA SER 9 2.303 2.185 36.304 59 HB2 SER 9 HB2 SER 9 4.914 2.677 35.518 60 HB3 SER 9 HB3 SER 9 4.405 1.364 34.442 61 HG SER 9 HG SER 9 3.322 2.797 33.375 62 H GLU 10 H GLU 10 1.762 0.808 34.256 63 HA GLU 10 HA GLU 10 1.756 -2.003 35.121 64 HB2 GLU 10 HB2 GLU 10 -0.363 -0.378 34.523 65 HB3 GLU 10 HB3 GLU 10 -0.103 -1.214 32.985 66 HG2 GLU 10 HG2 GLU 10 -0.697 -3.252 33.809 67 HG3 GLU 10 HG3 GLU 10 -0.164 -2.857 35.450 68 H PHE 11 H PHE 11 1.081 -3.311 32.868 69 HA PHE 11 HA PHE 11 2.740 -2.549 30.645 70 HB2 PHE 11 HB2 PHE 11 3.761 -4.331 32.716 71 HB3 PHE 11 HB3 PHE 11 3.758 -5.093 31.124 72 HD1 PHE 11 HD2 PHE 11 4.556 -3.320 29.194 73 HD2 PHE 11 HD1 PHE 11 5.758 -3.350 33.277 74 HE1 PHE 11 HE2 PHE 11 6.620 -2.125 28.592 75 HE2 PHE 11 HE1 PHE 11 7.825 -2.154 32.681 76 HZ PHE 11 HZ PHE 11 8.258 -1.541 30.335 77 H MET 12 H MET 12 1.837 -3.284 28.833 78 HA MET 12 HA MET 12 0.095 -5.653 29.005 79 HB2 MET 12 HB2 MET 12 -1.494 -4.666 27.553 80 HB3 MET 12 HB3 MET 12 -1.118 -3.442 28.776 81 HG2 MET 12 HG2 MET 12 0.390 -2.315 27.216 82 HG3 MET 12 HG3 MET 12 0.032 -3.541 25.999 83 HE1 MET 12 HE1 MET 12 -1.733 -3.886 24.782 84 HE2 MET 12 HE2 MET 12 -3.361 -3.595 25.395 85 HE3 MET 12 HE3 MET 12 -2.691 -2.551 24.139 86 H VAL 13 H VAL 13 -0.482 -6.208 26.495 87 HA VAL 13 HA VAL 13 1.874 -7.337 25.452 88 HB VAL 13 HB VAL 13 0.529 -7.943 23.490 89 HG11 VAL 13 HG11 VAL 13 -0.917 -8.294 26.114 90 HG12 VAL 13 HG12 VAL 13 -1.185 -9.258 24.660 91 HG13 VAL 13 HG13 VAL 13 0.372 -9.319 25.486 92 HG21 VAL 13 HG21 VAL 13 -1.827 -7.269 23.354 93 HG22 VAL 13 HG22 VAL 13 -1.602 -6.216 24.751 94 HG23 VAL 13 HG23 VAL 13 -0.744 -5.882 23.247 95 H VAL 14 H VAL 14 2.190 -7.007 22.889 96 HA VAL 14 HA VAL 14 2.328 -4.143 22.287 97 HB VAL 14 HB VAL 14 4.650 -4.331 21.519 98 HG11 VAL 14 HG11 VAL 14 3.841 -3.883 24.012 99 HG12 VAL 14 HG12 VAL 14 4.814 -5.325 24.307 100 HG13 VAL 14 HG13 VAL 14 5.546 -3.904 23.564 101 HG21 VAL 14 HG21 VAL 14 5.999 -6.273 22.019 102 HG22 VAL 14 HG22 VAL 14 4.623 -7.072 22.780 103 HG23 VAL 14 HG23 VAL 14 4.610 -6.756 21.046 104 H ASP 15 H ASP 15 3.517 -4.050 19.945 105 HA ASP 15 HA ASP 15 1.689 -5.453 18.206 106 HB2 ASP 15 HB2 ASP 15 2.369 -3.994 16.509 107 HB3 ASP 15 HB3 ASP 15 2.495 -3.011 17.975 108 H VAL 16 H VAL 16 2.151 -7.067 16.787 109 HA VAL 16 HA VAL 16 4.882 -7.893 16.303 110 HB VAL 16 HB VAL 16 4.168 -8.996 18.481 111 HG11 VAL 16 HG11 VAL 16 2.457 -10.470 18.587 112 HG12 VAL 16 HG12 VAL 16 1.845 -9.512 17.238 113 HG13 VAL 16 HG13 VAL 16 2.690 -11.029 16.932 114 HG21 VAL 16 HG21 VAL 16 5.685 -10.570 18.022 115 HG22 VAL 16 HG22 VAL 16 4.698 -11.271 16.739 116 HG23 VAL 16 HG23 VAL 16 5.734 -9.885 16.398 117 H THR 17 H THR 17 2.401 -7.008 14.859 118 HA THR 17 HA THR 17 1.410 -9.232 13.385 119 HB THR 17 HB THR 17 1.038 -6.964 11.791 120 HG1 THR 17 HG1 THR 17 0.172 -5.525 13.502 121 HG21 THR 17 HG21 THR 17 -0.594 -8.538 13.725 122 HG22 THR 17 HG22 THR 17 -0.794 -8.334 11.984 123 HG23 THR 17 HG23 THR 17 -1.262 -7.038 13.085 124 H ILE 18 H ILE 18 1.688 -9.560 11.069 125 HA ILE 18 HA ILE 18 4.485 -9.432 10.341 126 HB ILE 18 HB ILE 18 2.261 -10.515 8.626 127 HG12 ILE 18 HG12 ILE 18 2.031 -11.538 10.817 128 HG13 ILE 18 HG13 ILE 18 2.697 -12.715 9.671 129 HG21 ILE 18 HG21 ILE 18 4.110 -10.588 7.302 130 HG22 ILE 18 HG22 ILE 18 5.220 -10.679 8.667 131 HG23 ILE 18 HG23 ILE 18 4.330 -12.113 8.158 132 HD11 ILE 18 HD11 ILE 18 4.954 -11.595 10.742 133 HD12 ILE 18 HD12 ILE 18 3.848 -11.652 12.116 134 HD13 ILE 18 HD13 ILE 18 4.227 -13.126 11.226 135 H GLU 19 H GLU 19 5.243 -8.613 8.300 136 HA GLU 19 HA GLU 19 3.674 -7.042 6.569 137 HB2 GLU 19 HB2 GLU 19 4.692 -4.805 7.184 138 HB3 GLU 19 HB3 GLU 19 3.460 -5.428 8.291 139 HG2 GLU 19 HG2 GLU 19 5.277 -6.276 9.762 140 HG3 GLU 19 HG3 GLU 19 6.439 -5.474 8.697 141 H ASP 20 H ASP 20 4.726 -7.439 4.746 142 HA ASP 20 HA ASP 20 7.615 -6.945 4.648 143 HB2 ASP 20 HB2 ASP 20 8.102 -8.963 3.506 144 HB3 ASP 20 HB3 ASP 20 7.094 -9.424 4.884 145 H SER 21 H SER 21 8.239 -5.796 2.923 146 HA SER 21 HA SER 21 6.214 -5.227 0.873 147 HB2 SER 21 HB2 SER 21 7.379 -3.393 2.324 148 HB3 SER 21 HB3 SER 21 8.740 -3.639 1.216 149 HG SER 21 HG SER 21 7.586 -2.120 0.205 150 H TYR 22 H TYR 22 7.717 -4.279 -1.169 151 HA TYR 22 HA TYR 22 8.807 -4.947 -3.050 152 HB2 TYR 22 HB2 TYR 22 10.586 -5.218 -0.940 153 HB3 TYR 22 HB3 TYR 22 10.688 -6.776 -1.764 154 HD1 TYR 22 HD1 TYR 22 10.427 -3.204 -2.860 155 HD2 TYR 22 HD2 TYR 22 12.433 -6.935 -3.253 156 HE1 TYR 22 HE1 TYR 22 11.901 -2.225 -4.568 157 HE2 TYR 22 HE2 TYR 22 13.914 -5.966 -4.961 158 HH TYR 22 HH TYR 22 13.303 -2.951 -6.423 159 H SER 23 H SER 23 9.939 -7.208 -3.952 160 HA SER 23 HA SER 23 7.694 -9.087 -3.909 161 HB2 SER 23 HB2 SER 23 9.026 -10.072 -5.920 162 HB3 SER 23 HB3 SER 23 8.169 -8.534 -6.131 163 HG SER 23 HG SER 23 10.937 -8.892 -5.624 164 H THR 24 H THR 24 7.842 -10.769 -2.598 165 HA THR 24 HA THR 24 10.339 -12.270 -2.458 166 HB THR 24 HB THR 24 9.771 -12.450 0.135 167 HG1 THR 24 HG1 THR 24 9.087 -9.747 -0.414 168 HG21 THR 24 HG21 THR 24 11.860 -11.673 0.122 169 HG22 THR 24 HG22 THR 24 11.212 -10.037 -0.001 170 HG23 THR 24 HG23 THR 24 11.615 -10.938 -1.462 171 H GLU 25 H GLU 25 7.030 -12.076 -1.144 172 HA GLU 25 HA GLU 25 6.620 -14.861 -1.954 173 HB2 GLU 25 HB2 GLU 25 7.140 -15.165 0.325 174 HB3 GLU 25 HB3 GLU 25 6.217 -13.733 0.806 175 HG2 GLU 25 HG2 GLU 25 4.264 -14.838 0.894 176 HG3 GLU 25 HG3 GLU 25 4.647 -15.825 -0.523 177 H SER 26 H SER 26 5.195 -11.837 -0.811 178 HA SER 26 HA SER 26 3.068 -12.044 -2.732 179 HB2 SER 26 HB2 SER 26 1.222 -11.929 -1.080 180 HB3 SER 26 HB3 SER 26 2.123 -13.451 -0.979 181 HG SER 26 HG SER 26 2.370 -11.204 0.735 182 H ALA 27 H ALA 27 2.200 -10.077 -3.221 183 HA ALA 27 HA ALA 27 2.966 -7.798 -1.522 184 HB1 ALA 27 HB1 ALA 27 2.865 -7.100 -4.330 185 HB2 ALA 27 HB2 ALA 27 4.131 -6.807 -3.138 186 HB3 ALA 27 HB3 ALA 27 4.074 -8.343 -4.004 187 H TRP 28 H TRP 28 1.655 -5.848 -1.914 188 HA TRP 28 HA TRP 28 -1.125 -6.602 -2.443 189 HB2 TRP 28 HB2 TRP 28 0.180 -4.404 -0.857 190 HB3 TRP 28 HB3 TRP 28 -1.496 -4.244 -1.381 191 HD1 TRP 28 HD1 TRP 28 0.519 -5.658 1.375 192 HE1 TRP 28 HE1 TRP 28 -0.944 -7.124 2.904 193 HE3 TRP 28 HE3 TRP 28 -3.612 -6.073 -1.608 194 HZ2 TRP 28 HZ2 TRP 28 -3.509 -8.301 2.851 195 HZ3 TRP 28 HZ3 TRP 28 -5.527 -7.387 -0.795 196 HH2 TRP 28 HH2 TRP 28 -5.475 -8.477 1.388 197 H VAL 29 H VAL 29 -2.222 -5.857 -4.148 198 HA VAL 29 HA VAL 29 -1.094 -3.596 -5.662 199 HB VAL 29 HB VAL 29 -0.584 -5.707 -6.828 200 HG11 VAL 29 HG11 VAL 29 -2.353 -7.131 -6.124 201 HG12 VAL 29 HG12 VAL 29 -3.575 -6.045 -6.787 202 HG13 VAL 29 HG13 VAL 29 -2.509 -6.941 -7.869 203 HG21 VAL 29 HG21 VAL 29 -1.385 -3.431 -7.927 204 HG22 VAL 29 HG22 VAL 29 -1.009 -4.852 -8.900 205 HG23 VAL 29 HG23 VAL 29 -2.686 -4.465 -8.517 206 H ARG 30 H ARG 30 -2.555 -2.197 -6.609 207 HA ARG 30 HA ARG 30 -5.340 -2.525 -5.726 208 HB2 ARG 30 HB2 ARG 30 -4.079 -0.542 -4.883 209 HB3 ARG 30 HB3 ARG 30 -3.932 0.016 -6.557 210 HG2 ARG 30 HG2 ARG 30 -6.637 -0.422 -6.309 211 HG3 ARG 30 HG3 ARG 30 -6.178 0.210 -4.719 212 HD2 ARG 30 HD2 ARG 30 -6.774 2.075 -6.104 213 HD3 ARG 30 HD3 ARG 30 -5.022 2.094 -5.870 214 HE ARG 30 HE ARG 30 -5.810 0.719 -8.257 215 HH11 ARG 30 HH11 ARG 30 -5.139 3.837 -6.862 216 HH12 ARG 30 HH12 ARG 30 -4.729 4.571 -8.377 217 HH21 ARG 30 HH21 ARG 30 -5.273 1.674 -10.258 218 HH22 ARG 30 HH22 ARG 30 -4.807 3.340 -10.308 219 H CYS 31 H CYS 31 -7.030 -2.302 -7.150 220 HA CYS 31 HA CYS 31 -6.441 -2.840 -9.907 221 HB2 CYS 31 HB2 CYS 31 -8.338 -3.899 -8.729 222 HB3 CYS 31 HB3 CYS 31 -9.100 -2.317 -8.559 223 H ASP 32 H ASP 32 -6.719 -1.538 -11.668 224 HA ASP 32 HA ASP 32 -6.994 1.324 -11.104 225 HB2 ASP 32 HB2 ASP 32 -5.037 0.180 -12.446 226 HB3 ASP 32 HB3 ASP 32 -6.195 0.255 -13.782 227 H ASP 33 H ASP 33 -9.321 -0.343 -11.119 228 HA ASP 33 HA ASP 33 -10.813 1.019 -13.231 229 HB2 ASP 33 HB2 ASP 33 -10.141 -1.404 -13.875 230 HB3 ASP 33 HB3 ASP 33 -11.363 -1.888 -12.691 231 H CYS 34 H CYS 34 -10.918 -0.979 -10.311 232 HA CYS 34 HA CYS 34 -13.422 0.384 -9.562 233 HB2 CYS 34 HB2 CYS 34 -14.021 -1.563 -8.247 234 HB3 CYS 34 HB3 CYS 34 -13.699 -2.046 -9.914 235 H PHE 35 H PHE 35 -10.160 0.033 -8.867 236 HA PHE 35 HA PHE 35 -8.820 0.767 -7.184 237 HB2 PHE 35 HB2 PHE 35 -11.298 2.250 -6.263 238 HB3 PHE 35 HB3 PHE 35 -9.637 2.597 -5.779 239 HD1 PHE 35 HD1 PHE 35 -7.991 3.394 -7.501 240 HD2 PHE 35 HD2 PHE 35 -12.175 3.174 -8.245 241 HE1 PHE 35 HE1 PHE 35 -7.731 4.938 -9.399 242 HE2 PHE 35 HE2 PHE 35 -11.922 4.717 -10.145 243 HZ PHE 35 HZ PHE 35 -9.698 5.601 -10.724 244 H LYS 36 H LYS 36 -9.051 -1.575 -6.553 245 HA LYS 36 HA LYS 36 -9.936 -1.698 -3.761 246 HB2 LYS 36 HB2 LYS 36 -11.454 -2.828 -5.703 247 HB3 LYS 36 HB3 LYS 36 -10.356 -4.168 -5.331 248 HG2 LYS 36 HG2 LYS 36 -12.104 -4.584 -3.896 249 HG3 LYS 36 HG3 LYS 36 -10.991 -3.669 -2.865 250 HD2 LYS 36 HD2 LYS 36 -12.247 -1.631 -3.212 251 HD3 LYS 36 HD3 LYS 36 -13.299 -2.450 -4.379 252 HE2 LYS 36 HE2 LYS 36 -13.653 -4.091 -2.288 253 HE3 LYS 36 HE3 LYS 36 -13.266 -2.599 -1.419 254 HZ1 LYS 36 HZ1 LYS 36 -15.571 -2.573 -1.668 255 HZ2 LYS 36 HZ2 LYS 36 -15.512 -3.100 -3.274 256 HZ3 LYS 36 HZ3 LYS 36 -15.023 -1.529 -2.881 257 H TRP 37 H TRP 37 -8.695 -2.988 -2.435 258 HA TRP 37 HA TRP 37 -6.033 -3.511 -3.310 259 HB2 TRP 37 HB2 TRP 37 -7.552 -3.742 -0.762 260 HB3 TRP 37 HB3 TRP 37 -6.111 -4.746 -0.921 261 HD1 TRP 37 HD1 TRP 37 -6.868 -1.703 0.646 262 HE1 TRP 37 HE1 TRP 37 -4.903 -0.042 0.669 263 HE3 TRP 37 HE3 TRP 37 -3.980 -3.812 -3.007 264 HZ2 TRP 37 HZ2 TRP 37 -2.453 0.327 -0.684 265 HZ3 TRP 37 HZ3 TRP 37 -1.840 -2.743 -3.584 266 HH2 TRP 37 HH2 TRP 37 -1.094 -0.716 -2.445 267 H ARG 38 H ARG 38 -4.995 -5.446 -3.670 268 HA ARG 38 HA ARG 38 -6.520 -7.926 -3.487 269 HB2 ARG 38 HB2 ARG 38 -6.503 -6.603 -5.866 270 HB3 ARG 38 HB3 ARG 38 -5.069 -7.626 -6.037 271 HG2 ARG 38 HG2 ARG 38 -6.528 -9.138 -6.821 272 HG3 ARG 38 HG3 ARG 38 -6.846 -9.432 -5.102 273 HD2 ARG 38 HD2 ARG 38 -8.661 -7.696 -5.221 274 HD3 ARG 38 HD3 ARG 38 -8.410 -7.660 -6.971 275 HE ARG 38 HE ARG 38 -8.828 -10.283 -6.474 276 HH11 ARG 38 HH11 ARG 38 -10.569 -7.387 -5.638 277 HH12 ARG 38 HH12 ARG 38 -12.118 -8.163 -5.633 278 HH21 ARG 38 HH21 ARG 38 -10.862 -11.316 -6.471 279 HH22 ARG 38 HH22 ARG 38 -12.283 -10.398 -6.106 280 H ARG 39 H ARG 39 -5.283 -9.463 -2.644 281 HA ARG 39 HA ARG 39 -2.432 -9.035 -2.388 282 HB2 ARG 39 HB2 ARG 39 -3.953 -9.893 -0.540 283 HB3 ARG 39 HB3 ARG 39 -4.000 -11.424 -1.428 284 HG2 ARG 39 HG2 ARG 39 -1.348 -11.108 -1.318 285 HG3 ARG 39 HG3 ARG 39 -1.808 -10.212 0.140 286 HD2 ARG 39 HD2 ARG 39 -3.345 -12.407 0.458 287 HD3 ARG 39 HD3 ARG 39 -1.993 -13.100 -0.448 288 HE ARG 39 HE ARG 39 -0.925 -11.557 1.615 289 HH11 ARG 39 HH11 ARG 39 -2.830 -14.442 1.205 290 HH12 ARG 39 HH12 ARG 39 -2.263 -15.180 2.666 291 HH21 ARG 39 HH21 ARG 39 -0.171 -12.519 3.541 292 HH22 ARG 39 HH22 ARG 39 -0.751 -14.086 3.994 293 H ILE 40 H ILE 40 -0.953 -9.838 -3.717 294 HA ILE 40 HA ILE 40 -1.616 -12.242 -5.284 295 HB ILE 40 HB ILE 40 -0.582 -11.375 -7.235 296 HG12 ILE 40 HG12 ILE 40 0.249 -9.038 -5.501 297 HG13 ILE 40 HG13 ILE 40 1.314 -10.238 -6.252 298 HG21 ILE 40 HG21 ILE 40 -1.983 -9.501 -7.791 299 HG22 ILE 40 HG22 ILE 40 -2.893 -10.609 -6.767 300 HG23 ILE 40 HG23 ILE 40 -2.226 -9.126 -6.086 301 HD11 ILE 40 HD11 ILE 40 -0.133 -7.962 -7.518 302 HD12 ILE 40 HD12 ILE 40 1.558 -8.443 -7.663 303 HD13 ILE 40 HD13 ILE 40 0.304 -9.376 -8.478 304 HA PRO 41 HA PRO 41 2.191 -13.933 -3.896 305 HB2 PRO 41 HB2 PRO 41 2.862 -15.520 -6.024 306 HB3 PRO 41 HB3 PRO 41 1.547 -15.891 -4.909 307 HG2 PRO 41 HG2 PRO 41 1.442 -14.574 -7.602 308 HG3 PRO 41 HG3 PRO 41 0.392 -15.875 -6.927 309 HD2 PRO 41 HD2 PRO 41 -0.384 -13.275 -7.037 310 HD3 PRO 41 HD3 PRO 41 -0.877 -14.368 -5.731 311 H ALA 42 H ALA 42 4.454 -13.844 -4.157 312 HA ALA 42 HA ALA 42 5.433 -11.524 -5.448 313 HB1 ALA 42 HB1 ALA 42 7.698 -12.836 -4.904 314 HB2 ALA 42 HB2 ALA 42 6.764 -11.983 -3.676 315 HB3 ALA 42 HB3 ALA 42 6.595 -13.730 -3.858 316 H SER 43 H SER 43 4.749 -14.608 -6.630 317 HA SER 43 HA SER 43 6.806 -14.750 -8.625 318 HB2 SER 43 HB2 SER 43 4.847 -16.501 -7.576 319 HB3 SER 43 HB3 SER 43 4.495 -16.326 -9.305 320 HG SER 43 HG SER 43 6.739 -17.408 -8.047 321 H VAL 44 H VAL 44 3.467 -13.647 -8.495 322 HA VAL 44 HA VAL 44 3.481 -13.008 -11.341 323 HB VAL 44 HB VAL 44 1.461 -14.009 -10.207 324 HG11 VAL 44 HG11 VAL 44 1.576 -12.701 -8.139 325 HG12 VAL 44 HG12 VAL 44 1.206 -11.234 -9.050 326 HG13 VAL 44 HG13 VAL 44 0.011 -12.526 -8.932 327 HG21 VAL 44 HG21 VAL 44 0.319 -13.197 -11.935 328 HG22 VAL 44 HG22 VAL 44 0.296 -11.579 -11.232 329 HG23 VAL 44 HG23 VAL 44 1.661 -12.090 -12.225 330 H VAL 45 H VAL 45 3.689 -11.447 -8.226 331 HA VAL 45 HA VAL 45 3.082 -8.820 -8.900 332 HB VAL 45 HB VAL 45 3.713 -9.902 -6.597 333 HG11 VAL 45 HG11 VAL 45 6.346 -8.622 -7.294 334 HG12 VAL 45 HG12 VAL 45 5.928 -9.528 -5.838 335 HG13 VAL 45 HG13 VAL 45 6.065 -10.360 -7.388 336 HG21 VAL 45 HG21 VAL 45 4.643 -7.397 -6.060 337 HG22 VAL 45 HG22 VAL 45 3.807 -7.147 -7.593 338 HG23 VAL 45 HG23 VAL 45 2.940 -7.829 -6.216 339 H GLY 46 H GLY 46 5.863 -10.735 -9.678 340 HA2 GLY 46 HA2 GLY 46 7.339 -8.361 -10.581 341 HA3 GLY 46 HA3 GLY 46 8.011 -9.972 -10.384 342 H SER 47 H SER 47 4.953 -9.696 -11.947 343 HA SER 47 HA SER 47 6.219 -9.856 -14.592 344 HB2 SER 47 HB2 SER 47 3.965 -11.683 -13.718 345 HB3 SER 47 HB3 SER 47 4.881 -11.747 -15.234 346 HG SER 47 HG SER 47 5.586 -12.631 -12.699 347 H ILE 48 H ILE 48 3.255 -9.388 -12.727 348 HA ILE 48 HA ILE 48 1.707 -8.401 -14.897 349 HB ILE 48 HB ILE 48 0.178 -7.540 -13.126 350 HG12 ILE 48 HG12 ILE 48 1.260 -8.894 -10.879 351 HG13 ILE 48 HG13 ILE 48 2.537 -7.853 -11.528 352 HG21 ILE 48 HG21 ILE 48 -0.323 -9.693 -13.863 353 HG22 ILE 48 HG22 ILE 48 1.116 -10.385 -13.117 354 HG23 ILE 48 HG23 ILE 48 -0.234 -9.864 -12.110 355 HD11 ILE 48 HD11 ILE 48 0.148 -7.140 -10.058 356 HD12 ILE 48 HD12 ILE 48 1.618 -6.211 -10.356 357 HD13 ILE 48 HD13 ILE 48 0.321 -6.218 -11.551 358 H ASP 49 H ASP 49 4.028 -6.981 -12.762 359 HA ASP 49 HA ASP 49 3.205 -4.262 -13.188 360 HB2 ASP 49 HB2 ASP 49 5.547 -5.602 -11.872 361 HB3 ASP 49 HB3 ASP 49 5.614 -3.872 -12.228 362 H GLU 50 H GLU 50 3.205 -4.973 -15.642 363 HA GLU 50 HA GLU 50 5.705 -4.960 -16.997 364 HB2 GLU 50 HB2 GLU 50 4.363 -4.679 -19.044 365 HB3 GLU 50 HB3 GLU 50 3.747 -5.980 -18.012 366 HG2 GLU 50 HG2 GLU 50 1.740 -5.057 -18.097 367 HG3 GLU 50 HG3 GLU 50 2.388 -3.665 -17.214 368 H SER 51 H SER 51 3.546 -2.491 -15.875 369 HA SER 51 HA SER 51 5.433 -0.456 -16.791 370 HB2 SER 51 HB2 SER 51 3.934 -0.155 -18.534 371 HB3 SER 51 HB3 SER 51 2.540 -0.628 -17.545 372 HG SER 51 HG SER 51 2.243 1.412 -17.200 373 H SER 52 H SER 52 2.181 -0.311 -15.364 374 HA SER 52 HA SER 52 2.953 0.066 -12.706 375 HB2 SER 52 HB2 SER 52 2.408 2.598 -12.626 376 HB3 SER 52 HB3 SER 52 4.016 2.102 -13.183 377 HG SER 52 HG SER 52 3.596 2.934 -15.061 378 H ARG 53 H ARG 53 0.893 -1.177 -14.272 379 HA ARG 53 HA ARG 53 -1.425 -0.103 -12.855 380 HB2 ARG 53 HB2 ARG 53 -1.181 -0.436 -15.832 381 HB3 ARG 53 HB3 ARG 53 -2.755 -0.603 -15.037 382 HG2 ARG 53 HG2 ARG 53 -2.778 1.629 -14.323 383 HG3 ARG 53 HG3 ARG 53 -1.044 1.823 -14.627 384 HD2 ARG 53 HD2 ARG 53 -2.466 1.021 -17.032 385 HD3 ARG 53 HD3 ARG 53 -3.122 2.512 -16.339 386 HE ARG 53 HE ARG 53 -0.299 2.641 -16.433 387 HH11 ARG 53 HH11 ARG 53 -3.115 2.781 -18.475 388 HH12 ARG 53 HH12 ARG 53 -2.357 3.775 -19.674 389 HH21 ARG 53 HH21 ARG 53 0.711 3.951 -18.004 390 HH22 ARG 53 HH22 ARG 53 -0.181 4.440 -19.405 391 H TRP 54 H TRP 54 -3.217 -1.635 -12.741 392 HA TRP 54 HA TRP 54 -2.892 -4.334 -13.594 393 HB2 TRP 54 HB2 TRP 54 -1.264 -4.452 -11.818 394 HB3 TRP 54 HB3 TRP 54 -2.380 -3.687 -10.685 395 HD1 TRP 54 HD1 TRP 54 -1.428 -7.056 -12.047 396 HE1 TRP 54 HE1 TRP 54 -2.878 -8.876 -10.947 397 HE3 TRP 54 HE3 TRP 54 -4.869 -4.064 -9.737 398 HZ2 TRP 54 HZ2 TRP 54 -5.177 -9.023 -9.315 399 HZ3 TRP 54 HZ3 TRP 54 -6.662 -5.123 -8.427 400 HH2 TRP 54 HH2 TRP 54 -6.812 -7.551 -8.221 401 H ILE 55 H ILE 55 -4.768 -5.520 -13.372 402 HA ILE 55 HA ILE 55 -6.993 -4.219 -11.949 403 HB ILE 55 HB ILE 55 -8.461 -5.165 -13.840 404 HG12 ILE 55 HG12 ILE 55 -5.752 -5.104 -15.189 405 HG13 ILE 55 HG13 ILE 55 -6.783 -6.525 -14.949 406 HG21 ILE 55 HG21 ILE 55 -8.228 -3.125 -15.136 407 HG22 ILE 55 HG22 ILE 55 -8.086 -2.778 -13.414 408 HG23 ILE 55 HG23 ILE 55 -6.642 -2.833 -14.425 409 HD11 ILE 55 HD11 ILE 55 -8.434 -4.813 -16.313 410 HD12 ILE 55 HD12 ILE 55 -6.858 -4.518 -17.044 411 HD13 ILE 55 HD13 ILE 55 -7.521 -6.150 -17.009 412 H CYS 56 H CYS 56 -8.851 -5.726 -11.593 413 HA CYS 56 HA CYS 56 -8.047 -7.993 -10.189 414 HB2 CYS 56 HB2 CYS 56 -10.777 -7.486 -11.396 415 HB3 CYS 56 HB3 CYS 56 -10.412 -8.560 -10.044 416 H MET 57 H MET 57 -9.570 -7.782 -13.401 417 HA MET 57 HA MET 57 -9.598 -10.521 -13.957 418 HB2 MET 57 HB2 MET 57 -9.737 -9.845 -16.343 419 HB3 MET 57 HB3 MET 57 -10.875 -8.977 -15.301 420 HG2 MET 57 HG2 MET 57 -8.621 -7.360 -15.305 421 HG3 MET 57 HG3 MET 57 -8.736 -7.956 -16.961 422 HE1 MET 57 HE1 MET 57 -11.774 -6.871 -14.347 423 HE2 MET 57 HE2 MET 57 -10.216 -6.083 -14.103 424 HE3 MET 57 HE3 MET 57 -11.575 -5.166 -14.755 425 H ASN 58 H ASN 58 -6.994 -8.299 -13.843 426 HA ASN 58 HA ASN 58 -5.249 -9.868 -15.543 427 HB2 ASN 58 HB2 ASN 58 -5.113 -7.255 -14.146 428 HB3 ASN 58 HB3 ASN 58 -3.579 -8.111 -14.343 429 HD21 ASN 58 HD21 ASN 58 -6.394 -8.012 -16.475 430 HD22 ASN 58 HD22 ASN 58 -5.563 -7.337 -17.831 431 H ASN 59 H ASN 59 -6.308 -10.051 -12.385 432 HA ASN 59 HA ASN 59 -4.029 -10.720 -10.925 433 HB2 ASN 59 HB2 ASN 59 -6.437 -10.358 -10.106 434 HB3 ASN 59 HB3 ASN 59 -6.700 -12.057 -10.519 435 HD21 ASN 59 HD21 ASN 59 -7.179 -12.221 -8.213 436 HD22 ASN 59 HD22 ASN 59 -5.873 -12.475 -7.112 437 H SER 60 H SER 60 -3.242 -12.804 -10.245 438 HA SER 60 HA SER 60 -2.956 -14.615 -12.453 439 HB2 SER 60 HB2 SER 60 -1.783 -15.925 -10.370 440 HB3 SER 60 HB3 SER 60 -0.978 -14.682 -11.343 441 HG SER 60 HG SER 60 -1.425 -14.612 -8.766 442 H ASP 61 H ASP 61 -4.944 -14.424 -9.638 443 HA ASP 61 HA ASP 61 -5.588 -17.171 -9.380 444 HB2 ASP 61 HB2 ASP 61 -6.102 -14.910 -7.917 445 HB3 ASP 61 HB3 ASP 61 -7.690 -15.264 -8.615 446 H LYS 62 H LYS 62 -7.977 -17.875 -9.624 447 HA LYS 62 HA LYS 62 -8.945 -17.013 -12.271 448 HB2 LYS 62 HB2 LYS 62 -9.883 -19.464 -12.292 449 HB3 LYS 62 HB3 LYS 62 -8.204 -19.142 -12.752 450 HG2 LYS 62 HG2 LYS 62 -8.306 -21.081 -11.316 451 HG3 LYS 62 HG3 LYS 62 -7.476 -19.752 -10.489 452 HD2 LYS 62 HD2 LYS 62 -9.212 -19.388 -9.009 453 HD3 LYS 62 HD3 LYS 62 -10.418 -20.088 -10.103 454 HE2 LYS 62 HE2 LYS 62 -8.246 -21.808 -8.940 455 HE3 LYS 62 HE3 LYS 62 -9.690 -21.413 -7.995 456 HZ1 LYS 62 HZ1 LYS 62 -11.062 -22.544 -9.452 457 HZ2 LYS 62 HZ2 LYS 62 -9.691 -23.535 -9.408 458 HZ3 LYS 62 HZ3 LYS 62 -9.947 -22.501 -10.723 459 H ARG 63 H ARG 63 -9.645 -17.408 -8.988 460 HA ARG 63 HA ARG 63 -12.544 -17.343 -9.489 461 HB2 ARG 63 HB2 ARG 63 -11.062 -18.903 -7.735 462 HB3 ARG 63 HB3 ARG 63 -11.738 -17.632 -6.704 463 HG2 ARG 63 HG2 ARG 63 -13.244 -19.488 -6.683 464 HG3 ARG 63 HG3 ARG 63 -13.989 -18.171 -7.605 465 HD2 ARG 63 HD2 ARG 63 -12.969 -19.320 -9.683 466 HD3 ARG 63 HD3 ARG 63 -12.776 -20.719 -8.618 467 HE ARG 63 HE ARG 63 -15.203 -19.782 -9.784 468 HH11 ARG 63 HH11 ARG 63 -13.868 -21.388 -6.998 469 HH12 ARG 63 HH12 ARG 63 -15.331 -22.237 -6.623 470 HH21 ARG 63 HH21 ARG 63 -17.135 -20.895 -9.300 471 HH22 ARG 63 HH22 ARG 63 -17.189 -21.956 -7.934 472 H PHE 64 H PHE 64 -9.858 -15.548 -8.288 473 HA PHE 64 HA PHE 64 -11.683 -13.420 -7.382 474 HB2 PHE 64 HB2 PHE 64 -9.048 -14.373 -6.330 475 HB3 PHE 64 HB3 PHE 64 -9.462 -12.667 -6.157 476 HD1 PHE 64 HD2 PHE 64 -11.014 -16.010 -5.581 477 HD2 PHE 64 HD1 PHE 64 -10.543 -11.995 -4.251 478 HE1 PHE 64 HE2 PHE 64 -12.357 -16.518 -3.584 479 HE2 PHE 64 HE1 PHE 64 -11.884 -12.497 -2.250 480 HZ PHE 64 HZ PHE 64 -12.795 -14.760 -1.915 481 H ALA 65 H ALA 65 -10.404 -14.105 -10.066 482 HA ALA 65 HA ALA 65 -8.880 -11.633 -10.502 483 HB1 ALA 65 HB1 ALA 65 -9.155 -14.073 -12.253 484 HB2 ALA 65 HB2 ALA 65 -8.174 -12.653 -12.618 485 HB3 ALA 65 HB3 ALA 65 -7.774 -13.669 -11.233 486 H ASP 66 H ASP 66 -11.041 -10.535 -10.272 487 HA ASP 66 HA ASP 66 -11.959 -9.698 -12.794 488 HB2 ASP 66 HB2 ASP 66 -13.396 -11.950 -11.560 489 HB3 ASP 66 HB3 ASP 66 -14.434 -10.596 -12.029 490 H CYS 67 H CYS 67 -13.154 -7.829 -12.657 491 HA CYS 67 HA CYS 67 -13.071 -6.417 -10.212 492 HB2 CYS 67 HB2 CYS 67 -14.055 -5.914 -12.962 493 HB3 CYS 67 HB3 CYS 67 -14.797 -4.943 -11.688 494 H SER 68 H SER 68 -15.437 -8.478 -11.647 495 HA SER 68 HA SER 68 -17.718 -7.505 -10.260 496 HB2 SER 68 HB2 SER 68 -17.073 -9.716 -12.053 497 HB3 SER 68 HB3 SER 68 -18.204 -10.196 -10.776 498 HG SER 68 HG SER 68 -19.640 -9.281 -12.006 499 H LYS 69 H LYS 69 -15.159 -9.732 -9.468 500 HA LYS 69 HA LYS 69 -16.453 -10.950 -7.238 501 HB2 LYS 69 HB2 LYS 69 -13.471 -10.707 -7.635 502 HB3 LYS 69 HB3 LYS 69 -14.359 -11.972 -6.772 503 HG2 LYS 69 HG2 LYS 69 -14.340 -11.503 -9.754 504 HG3 LYS 69 HG3 LYS 69 -13.558 -12.829 -8.874 505 HD2 LYS 69 HD2 LYS 69 -15.422 -14.030 -9.078 506 HD3 LYS 69 HD3 LYS 69 -16.260 -12.831 -8.076 507 HE2 LYS 69 HE2 LYS 69 -17.142 -11.708 -9.896 508 HE3 LYS 69 HE3 LYS 69 -15.863 -12.273 -10.981 509 HZ1 LYS 69 HZ1 LYS 69 -17.106 -14.566 -10.219 510 HZ2 LYS 69 HZ2 LYS 69 -17.352 -13.751 -11.680 511 HZ3 LYS 69 HZ3 LYS 69 -18.391 -13.476 -10.373 512 H SER 70 H SER 70 -16.299 -10.498 -5.068 513 HA SER 70 HA SER 70 -15.967 -7.784 -4.335 514 HB2 SER 70 HB2 SER 70 -16.224 -10.287 -2.641 515 HB3 SER 70 HB3 SER 70 -16.269 -8.635 -1.998 516 HG SER 70 HG SER 70 -18.323 -8.756 -2.422 517 H GLN 71 H GLN 71 -14.634 -7.546 -2.065 518 HA GLN 71 HA GLN 71 -11.896 -7.624 -2.894 519 HB2 GLN 71 HB2 GLN 71 -13.008 -5.812 -1.500 520 HB3 GLN 71 HB3 GLN 71 -12.910 -6.941 -0.138 521 HG2 GLN 71 HG2 GLN 71 -10.592 -6.854 -0.046 522 HG3 GLN 71 HG3 GLN 71 -10.462 -6.250 -1.704 523 HE21 GLN 71 HE21 GLN 71 -9.005 -4.917 -0.023 524 HE22 GLN 71 HE22 GLN 71 -9.704 -3.398 0.413 525 H GLU 72 H GLU 72 -10.160 -8.484 -1.466 526 HA GLU 72 HA GLU 72 -10.804 -11.227 -0.737 527 HB2 GLU 72 HB2 GLU 72 -8.083 -9.916 -0.693 528 HB3 GLU 72 HB3 GLU 72 -8.457 -11.644 -0.775 529 HG2 GLU 72 HG2 GLU 72 -9.723 -10.646 -3.005 530 HG3 GLU 72 HG3 GLU 72 -8.248 -9.675 -2.905 531 H MET 73 H MET 73 -9.524 -8.286 0.742 532 HA MET 73 HA MET 73 -10.145 -9.424 3.374 533 HB2 MET 73 HB2 MET 73 -7.553 -8.136 2.519 534 HB3 MET 73 HB3 MET 73 -8.050 -8.211 4.217 535 HG2 MET 73 HG2 MET 73 -8.373 -10.798 3.531 536 HG3 MET 73 HG3 MET 73 -7.064 -10.339 2.440 537 HE1 MET 73 HE1 MET 73 -5.799 -7.998 5.239 538 HE2 MET 73 HE2 MET 73 -4.396 -8.924 4.702 539 HE3 MET 73 HE3 MET 73 -5.577 -8.349 3.524 540 H SER 74 H SER 74 -10.182 -7.696 5.089 541 HA SER 74 HA SER 74 -11.754 -5.480 4.112 542 HB2 SER 74 HB2 SER 74 -10.946 -6.318 6.912 543 HB3 SER 74 HB3 SER 74 -12.013 -4.950 6.548 544 HG SER 74 HG SER 74 -13.171 -6.890 7.008 545 H ASN 75 H ASN 75 -11.319 -3.271 4.508 546 HA ASN 75 HA ASN 75 -8.796 -2.372 3.865 547 HB2 ASN 75 HB2 ASN 75 -11.300 -1.205 4.620 548 HB3 ASN 75 HB3 ASN 75 -10.001 -0.365 5.477 549 HD21 ASN 75 HD21 ASN 75 -10.105 -1.839 2.260 550 HD22 ASN 75 HD22 ASN 75 -9.681 -0.403 1.399 551 H GLU 76 H GLU 76 -10.207 -2.829 7.075 552 HA GLU 76 HA GLU 76 -8.140 -1.691 8.583 553 HB2 GLU 76 HB2 GLU 76 -8.978 -3.143 10.439 554 HB3 GLU 76 HB3 GLU 76 -10.236 -2.190 9.634 555 HG2 GLU 76 HG2 GLU 76 -11.360 -4.129 9.627 556 HG3 GLU 76 HG3 GLU 76 -10.376 -4.456 8.193 557 H GLU 77 H GLU 77 -8.641 -5.056 7.551 558 HA GLU 77 HA GLU 77 -6.370 -6.139 8.786 559 HB2 GLU 77 HB2 GLU 77 -7.767 -7.030 6.250 560 HB3 GLU 77 HB3 GLU 77 -6.621 -8.002 7.188 561 HG2 GLU 77 HG2 GLU 77 -8.372 -7.406 9.131 562 HG3 GLU 77 HG3 GLU 77 -9.449 -7.363 7.726 563 H ILE 78 H ILE 78 -6.826 -4.755 5.559 564 HA ILE 78 HA ILE 78 -4.220 -5.316 4.612 565 HB ILE 78 HB ILE 78 -6.061 -3.093 3.723 566 HG12 ILE 78 HG12 ILE 78 -5.778 -5.859 2.534 567 HG13 ILE 78 HG13 ILE 78 -7.039 -5.433 3.702 568 HG21 ILE 78 HG21 ILE 78 -4.821 -3.480 1.539 569 HG22 ILE 78 HG22 ILE 78 -3.925 -2.679 2.829 570 HG23 ILE 78 HG23 ILE 78 -3.645 -4.386 2.492 571 HD11 ILE 78 HD11 ILE 78 -8.315 -4.611 2.099 572 HD12 ILE 78 HD12 ILE 78 -7.033 -3.512 1.590 573 HD13 ILE 78 HD13 ILE 78 -7.117 -5.140 0.917 574 H ASN 79 H ASN 79 -5.657 -2.417 6.076 575 HA ASN 79 HA ASN 79 -3.430 -0.743 5.888 576 HB2 ASN 79 HB2 ASN 79 -4.895 0.687 6.772 577 HB3 ASN 79 HB3 ASN 79 -5.998 -0.656 7.102 578 HD21 ASN 79 HD21 ASN 79 -6.189 -1.457 9.144 579 HD22 ASN 79 HD22 ASN 79 -5.442 -0.735 10.525 580 H GLU 80 H GLU 80 -4.369 -3.043 8.411 581 HA GLU 80 HA GLU 80 -2.136 -2.414 10.094 582 HB2 GLU 80 HB2 GLU 80 -2.884 -4.198 11.503 583 HB3 GLU 80 HB3 GLU 80 -4.314 -3.327 10.924 584 HG2 GLU 80 HG2 GLU 80 -4.822 -5.044 9.340 585 HG3 GLU 80 HG3 GLU 80 -3.292 -5.866 9.680 586 H GLU 81 H GLU 81 -2.773 -4.660 7.513 587 HA GLU 81 HA GLU 81 -0.685 -6.489 8.021 588 HB2 GLU 81 HB2 GLU 81 -2.545 -6.984 6.502 589 HB3 GLU 81 HB3 GLU 81 -1.971 -5.732 5.391 590 HG2 GLU 81 HG2 GLU 81 -1.367 -7.996 4.655 591 HG3 GLU 81 HG3 GLU 81 0.044 -6.970 4.951 592 H LEU 82 H LEU 82 -0.850 -3.715 5.790 593 HA LEU 82 HA LEU 82 1.966 -3.890 5.201 594 HB2 LEU 82 HB2 LEU 82 -0.030 -1.728 4.507 595 HB3 LEU 82 HB3 LEU 82 1.592 -1.922 3.819 596 HG LEU 82 HG LEU 82 0.193 -4.346 3.373 597 HD11 LEU 82 HD11 LEU 82 -1.483 -2.889 1.770 598 HD12 LEU 82 HD12 LEU 82 -1.520 -1.986 3.285 599 HD13 LEU 82 HD13 LEU 82 -1.941 -3.698 3.269 600 HD21 LEU 82 HD21 LEU 82 0.313 -3.151 0.956 601 HD22 LEU 82 HD22 LEU 82 1.681 -3.948 1.731 602 HD23 LEU 82 HD23 LEU 82 1.500 -2.196 1.844 603 H GLY 83 H GLY 83 -0.096 -2.087 7.354 604 HA2 GLY 83 HA2 GLY 83 0.644 -1.018 9.313 605 HA3 GLY 83 HA3 GLY 83 2.275 -0.999 8.661 606 H ILE 84 H ILE 84 -0.538 0.114 6.889 607 HA ILE 84 HA ILE 84 0.614 2.817 6.906 608 HB ILE 84 HB ILE 84 -0.675 3.236 4.876 609 HG12 ILE 84 HG12 ILE 84 -1.513 0.333 5.068 610 HG13 ILE 84 HG13 ILE 84 -2.565 1.708 5.439 611 HG21 ILE 84 HG21 ILE 84 1.060 2.453 3.736 612 HG22 ILE 84 HG22 ILE 84 1.510 1.488 5.142 613 HG23 ILE 84 HG23 ILE 84 0.466 0.801 3.898 614 HD11 ILE 84 HD11 ILE 84 -1.281 1.720 2.782 615 HD12 ILE 84 HD12 ILE 84 -2.544 0.520 3.060 616 HD13 ILE 84 HD13 ILE 84 -2.895 2.235 3.270 617 H GLY 85 H GLY 85 -1.391 4.420 6.241 618 HA2 GLY 85 HA2 GLY 85 -3.373 4.033 8.399 619 HA3 GLY 85 HA3 GLY 85 -2.704 5.598 7.968 620 H GLN 86 H GLN 86 -4.704 2.940 6.764 621 HA GLN 86 HA GLN 86 -5.673 4.367 4.499 622 HB2 GLN 86 HB2 GLN 86 -6.251 1.792 5.845 623 HB3 GLN 86 HB3 GLN 86 -7.577 2.490 4.900 624 HG2 GLN 86 HG2 GLN 86 -6.386 2.387 2.895 625 HG3 GLN 86 HG3 GLN 86 -4.839 2.185 3.731 626 HE21 GLN 86 HE21 GLN 86 -4.396 0.347 2.479 627 HE22 GLN 86 HE22 GLN 86 -5.156 -1.171 2.804 628 H ASP 87 H ASP 87 -7.451 5.616 4.244 629 HA ASP 87 HA ASP 87 -8.665 6.702 6.618 630 HB2 ASP 87 HB2 ASP 87 -8.027 7.925 4.401 631 HB3 ASP 87 HB3 ASP 87 -9.590 7.324 3.830 632 H GLU 88 H GLU 88 -9.663 4.689 7.338 633 HA GLU 88 HA GLU 88 -11.789 3.531 5.800 634 HB2 GLU 88 HB2 GLU 88 -12.235 2.195 7.823 635 HB3 GLU 88 HB3 GLU 88 -10.529 2.152 7.352 636 HG2 GLU 88 HG2 GLU 88 -10.456 4.213 9.071 637 HG3 GLU 88 HG3 GLU 88 -11.802 3.288 9.754 638 H ALA 89 H ALA 89 -11.529 5.883 8.391 639 HA ALA 89 HA ALA 89 -13.040 7.275 9.373 640 HB1 ALA 89 HB1 ALA 89 -15.081 7.777 7.786 641 HB2 ALA 89 HB2 ALA 89 -13.465 8.379 7.416 642 HB3 ALA 89 HB3 ALA 89 -14.077 6.937 6.605 643 H ASP 90 H ASP 90 -13.597 5.827 11.042 644 HA ASP 90 HA ASP 90 -15.984 4.184 10.654 645 HB2 ASP 90 HB2 ASP 90 -14.107 3.090 11.739 646 HB3 ASP 90 HB3 ASP 90 -14.037 4.366 12.961 647 H ALA 91 H ALA 91 -14.783 6.432 13.154 648 HA ALA 91 HA ALA 91 -17.362 7.755 13.235 649 HB1 ALA 91 HB1 ALA 91 -17.802 7.357 15.554 650 HB2 ALA 91 HB2 ALA 91 -17.590 5.798 14.757 651 HB3 ALA 91 HB3 ALA 91 -16.289 6.469 15.739 652 H TYR 92 H TYR 92 -14.382 8.241 12.782 653 HA TYR 92 HA TYR 92 -14.079 10.453 14.707 654 HB2 TYR 92 HB2 TYR 92 -12.177 8.457 13.653 655 HB3 TYR 92 HB3 TYR 92 -11.574 10.116 13.667 656 HD1 TYR 92 HD1 TYR 92 -13.402 7.786 15.954 657 HD2 TYR 92 HD2 TYR 92 -10.473 10.846 15.555 658 HE1 TYR 92 HE1 TYR 92 -12.890 7.600 18.352 659 HE2 TYR 92 HE2 TYR 92 -9.951 10.667 17.953 660 HH TYR 92 HH TYR 92 -10.937 9.896 19.998 661 H ASP 93 H ASP 93 -12.894 12.351 13.863 662 HA ASP 93 HA ASP 93 -12.988 12.718 10.976 663 HB2 ASP 93 HB2 ASP 93 -14.390 14.659 11.027 664 HB3 ASP 93 HB3 ASP 93 -15.244 13.363 11.875 665 H CYS 94 H CYS 94 -10.803 12.532 12.740 666 HA CYS 94 HA CYS 94 -9.844 15.301 12.950 667 HB2 CYS 94 HB2 CYS 94 -8.560 12.819 14.101 668 HB3 CYS 94 HB3 CYS 94 -8.189 14.497 14.497 669 H ASP 95 H ASP 95 -7.197 15.099 12.808 670 HA ASP 95 HA ASP 95 -5.430 15.008 11.380 671 HB2 ASP 95 HB2 ASP 95 -6.779 12.568 10.197 672 HB3 ASP 95 HB3 ASP 95 -5.061 12.982 10.129 673 H ALA 96 H ALA 96 -7.481 16.724 10.673 674 HA ALA 96 HA ALA 96 -8.411 16.457 8.034 675 HB1 ALA 96 HB1 ALA 96 -7.856 19.137 9.233 676 HB2 ALA 96 HB2 ALA 96 -9.208 18.615 8.228 677 HB3 ALA 96 HB3 ALA 96 -9.114 18.105 9.914 678 H ALA 97 H ALA 97 -5.346 17.425 9.321 679 HA ALA 97 HA ALA 97 -4.415 18.816 7.006 680 HB1 ALA 97 HB1 ALA 97 -3.511 18.441 9.615 681 HB2 ALA 97 HB2 ALA 97 -2.289 17.687 8.592 682 HB3 ALA 97 HB3 ALA 97 -2.729 19.376 8.340 683 H LYS 98 H LYS 98 -4.578 15.492 7.965 684 HA LYS 98 HA LYS 98 -2.574 14.515 6.181 685 HB2 LYS 98 HB2 LYS 98 -4.528 13.397 8.060 686 HB3 LYS 98 HB3 LYS 98 -4.252 12.384 6.633 687 HG2 LYS 98 HG2 LYS 98 -2.610 11.539 7.937 688 HG3 LYS 98 HG3 LYS 98 -1.714 12.908 7.255 689 HD2 LYS 98 HD2 LYS 98 -2.726 14.200 9.316 690 HD3 LYS 98 HD3 LYS 98 -2.864 12.565 9.987 691 HE2 LYS 98 HE2 LYS 98 -0.306 12.587 8.939 692 HE3 LYS 98 HE3 LYS 98 -0.502 14.226 9.577 693 HZ1 LYS 98 HZ1 LYS 98 0.399 12.616 11.203 694 HZ2 LYS 98 HZ2 LYS 98 -1.062 11.767 11.141 695 HZ3 LYS 98 HZ3 LYS 98 -1.033 13.356 11.720 696 H ARG 99 H ARG 99 -2.709 14.360 4.048 697 HA ARG 99 HA ARG 99 -5.022 13.368 2.715 698 HB2 ARG 99 HB2 ARG 99 -4.968 15.645 1.260 699 HB3 ARG 99 HB3 ARG 99 -6.093 15.358 2.596 700 HG2 ARG 99 HG2 ARG 99 -4.999 16.778 4.029 701 HG3 ARG 99 HG3 ARG 99 -3.448 16.579 3.197 702 HD2 ARG 99 HD2 ARG 99 -3.981 18.091 1.524 703 HD3 ARG 99 HD3 ARG 99 -5.721 17.880 1.765 704 HE ARG 99 HE ARG 99 -4.906 19.009 4.090 705 HH11 ARG 99 HH11 ARG 99 -4.506 19.848 0.734 706 HH12 ARG 99 HH12 ARG 99 -4.444 21.554 1.034 707 HH21 ARG 99 HH21 ARG 99 -4.827 21.252 4.496 708 HH22 ARG 99 HH22 ARG 99 -4.627 22.351 3.173 709 H GLY 100 H GLY 100 -2.610 15.765 1.660 710 HA2 GLY 100 HA2 GLY 100 -0.942 15.641 0.089 711 HA3 GLY 100 HA3 GLY 100 -0.771 13.958 0.558 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -2.208 58.474 -14.237 2 HA2 GLY 1 HA2 GLY 1 -3.233 57.508 -12.243 3 HA3 GLY 1 HA3 GLY 1 -3.159 56.277 -13.494 4 H SER 2 H SER 2 -2.935 54.483 -12.249 5 HA SER 2 HA SER 2 -0.348 54.093 -11.001 6 HB2 SER 2 HB2 SER 2 -1.951 52.998 -9.044 7 HB3 SER 2 HB3 SER 2 -1.119 54.558 -8.931 8 HG SER 2 HG SER 2 -2.963 55.565 -9.122 9 H ARG 3 H ARG 3 0.275 52.343 -12.092 10 HA ARG 3 HA ARG 3 -1.646 50.134 -12.413 11 HB2 ARG 3 HB2 ARG 3 0.668 51.072 -14.090 12 HB3 ARG 3 HB3 ARG 3 0.088 49.403 -14.204 13 HG2 ARG 3 HG2 ARG 3 -2.070 50.104 -14.938 14 HG3 ARG 3 HG3 ARG 3 -1.687 51.799 -14.594 15 HD2 ARG 3 HD2 ARG 3 0.194 51.589 -16.294 16 HD3 ARG 3 HD3 ARG 3 -0.540 50.045 -16.751 17 HE ARG 3 HE ARG 3 -2.495 52.078 -16.800 18 HH11 ARG 3 HH11 ARG 3 0.300 50.952 -18.542 19 HH12 ARG 3 HH12 ARG 3 -0.235 51.581 -20.066 20 HH21 ARG 3 HH21 ARG 3 -3.209 52.911 -18.799 21 HH22 ARG 3 HH22 ARG 3 -2.230 52.696 -20.210 22 H ARG 4 H ARG 4 -1.084 48.074 -11.805 23 HA ARG 4 HA ARG 4 1.587 47.558 -10.776 24 HB2 ARG 4 HB2 ARG 4 0.711 46.686 -8.627 25 HB3 ARG 4 HB3 ARG 4 0.481 48.431 -8.813 26 HG2 ARG 4 HG2 ARG 4 -1.834 48.198 -9.230 27 HG3 ARG 4 HG3 ARG 4 -1.681 46.445 -9.441 28 HD2 ARG 4 HD2 ARG 4 -0.686 47.350 -6.850 29 HD3 ARG 4 HD3 ARG 4 -2.388 47.754 -7.115 30 HE ARG 4 HE ARG 4 -2.223 45.145 -7.858 31 HH11 ARG 4 HH11 ARG 4 -1.344 46.917 -4.994 32 HH12 ARG 4 HH12 ARG 4 -1.613 45.580 -3.925 33 HH21 ARG 4 HH21 ARG 4 -2.582 43.377 -6.462 34 HH22 ARG 4 HH22 ARG 4 -2.317 43.567 -4.762 35 H ALA 5 H ALA 5 1.437 45.169 -9.723 36 HA ALA 5 HA ALA 5 -0.286 43.455 -11.336 37 HB1 ALA 5 HB1 ALA 5 2.721 43.387 -11.457 38 HB2 ALA 5 HB2 ALA 5 1.697 42.052 -11.986 39 HB3 ALA 5 HB3 ALA 5 1.585 43.620 -12.786 40 H SER 6 H SER 6 0.096 41.087 -10.715 41 HA SER 6 HA SER 6 1.209 40.578 -8.121 42 HB2 SER 6 HB2 SER 6 -1.740 40.959 -8.480 43 HB3 SER 6 HB3 SER 6 -1.174 39.708 -7.359 44 HG SER 6 HG SER 6 0.032 41.328 -6.279 45 H VAL 7 H VAL 7 2.321 38.886 -8.994 46 HA VAL 7 HA VAL 7 0.779 36.486 -9.545 47 HB VAL 7 HB VAL 7 2.127 35.986 -11.601 48 HG11 VAL 7 HG11 VAL 7 0.624 37.045 -13.045 49 HG12 VAL 7 HG12 VAL 7 -0.253 36.936 -11.518 50 HG13 VAL 7 HG13 VAL 7 0.483 38.463 -12.007 51 HG21 VAL 7 HG21 VAL 7 2.682 38.934 -11.718 52 HG22 VAL 7 HG22 VAL 7 3.839 37.797 -11.026 53 HG23 VAL 7 HG23 VAL 7 3.354 37.645 -12.715 54 H GLY 8 H GLY 8 2.390 34.603 -9.998 55 HA2 GLY 8 HA2 GLY 8 4.942 34.278 -9.511 56 HA3 GLY 8 HA3 GLY 8 4.436 34.781 -7.905 57 H SER 9 H SER 9 5.578 32.469 -7.840 58 HA SER 9 HA SER 9 3.544 30.661 -7.023 59 HB2 SER 9 HB2 SER 9 4.189 30.529 -9.758 60 HB3 SER 9 HB3 SER 9 5.021 29.158 -9.004 61 HG SER 9 HG SER 9 2.270 29.721 -9.108 62 H GLU 10 H GLU 10 4.694 28.343 -6.732 63 HA GLU 10 HA GLU 10 7.269 28.921 -5.424 64 HB2 GLU 10 HB2 GLU 10 4.911 27.873 -4.349 65 HB3 GLU 10 HB3 GLU 10 5.987 26.480 -4.529 66 HG2 GLU 10 HG2 GLU 10 7.703 28.232 -3.425 67 HG3 GLU 10 HG3 GLU 10 6.180 28.801 -2.728 68 H PHE 11 H PHE 11 8.331 26.549 -4.971 69 HA PHE 11 HA PHE 11 8.180 24.796 -7.247 70 HB2 PHE 11 HB2 PHE 11 10.404 26.777 -6.935 71 HB3 PHE 11 HB3 PHE 11 10.777 25.174 -7.571 72 HD1 PHE 11 HD1 PHE 11 9.125 24.346 -9.480 73 HD2 PHE 11 HD2 PHE 11 9.875 28.412 -8.469 74 HE1 PHE 11 HE1 PHE 11 8.392 25.036 -11.726 75 HE2 PHE 11 HE2 PHE 11 9.142 29.108 -10.712 76 HZ PHE 11 HZ PHE 11 8.400 27.421 -12.344 77 H MET 12 H MET 12 8.461 22.816 -6.479 78 HA MET 12 HA MET 12 10.030 22.474 -4.016 79 HB2 MET 12 HB2 MET 12 8.732 20.556 -3.517 80 HB3 MET 12 HB3 MET 12 7.589 21.797 -4.056 81 HG2 MET 12 HG2 MET 12 8.091 20.580 -6.411 82 HG3 MET 12 HG3 MET 12 8.316 19.231 -5.296 83 HE1 MET 12 HE1 MET 12 4.745 21.554 -6.524 84 HE2 MET 12 HE2 MET 12 6.358 21.377 -7.215 85 HE3 MET 12 HE3 MET 12 5.136 20.136 -7.498 86 H VAL 13 H VAL 13 10.830 20.024 -3.914 87 HA VAL 13 HA VAL 13 12.953 19.812 -5.727 88 HB VAL 13 HB VAL 13 13.269 17.522 -4.828 89 HG11 VAL 13 HG11 VAL 13 12.926 18.655 -2.281 90 HG12 VAL 13 HG12 VAL 13 14.391 18.633 -3.265 91 HG13 VAL 13 HG13 VAL 13 13.273 19.994 -3.374 92 HG21 VAL 13 HG21 VAL 13 10.787 17.096 -4.595 93 HG22 VAL 13 HG22 VAL 13 11.792 16.566 -3.246 94 HG23 VAL 13 HG23 VAL 13 10.853 18.053 -3.114 95 H VAL 14 H VAL 14 13.253 17.449 -6.794 96 HA VAL 14 HA VAL 14 10.870 16.902 -8.430 97 HB VAL 14 HB VAL 14 12.458 16.516 -10.370 98 HG11 VAL 14 HG11 VAL 14 12.817 19.310 -10.167 99 HG12 VAL 14 HG12 VAL 14 11.550 18.432 -11.028 100 HG13 VAL 14 HG13 VAL 14 11.304 18.918 -9.350 101 HG21 VAL 14 HG21 VAL 14 14.520 16.448 -9.020 102 HG22 VAL 14 HG22 VAL 14 14.606 17.635 -10.323 103 HG23 VAL 14 HG23 VAL 14 14.322 18.165 -8.665 104 H ASP 15 H ASP 15 11.488 15.382 -6.248 105 HA ASP 15 HA ASP 15 12.994 13.061 -7.161 106 HB2 ASP 15 HB2 ASP 15 11.638 13.656 -4.518 107 HB3 ASP 15 HB3 ASP 15 12.584 12.202 -4.863 108 H VAL 16 H VAL 16 12.045 11.449 -8.200 109 HA VAL 16 HA VAL 16 9.341 10.636 -7.463 110 HB VAL 16 HB VAL 16 10.078 11.143 -10.347 111 HG11 VAL 16 HG11 VAL 16 7.638 10.107 -8.956 112 HG12 VAL 16 HG12 VAL 16 7.510 10.911 -10.521 113 HG13 VAL 16 HG13 VAL 16 8.488 9.452 -10.356 114 HG21 VAL 16 HG21 VAL 16 8.439 13.000 -10.220 115 HG22 VAL 16 HG22 VAL 16 8.364 12.770 -8.472 116 HG23 VAL 16 HG23 VAL 16 9.875 13.269 -9.232 117 H THR 17 H THR 17 10.999 9.023 -6.582 118 HA THR 17 HA THR 17 11.783 7.066 -8.628 119 HB THR 17 HB THR 17 13.147 6.035 -6.799 120 HG1 THR 17 HG1 THR 17 12.809 6.732 -4.839 121 HG21 THR 17 HG21 THR 17 14.282 7.464 -8.334 122 HG22 THR 17 HG22 THR 17 14.834 7.908 -6.718 123 HG23 THR 17 HG23 THR 17 13.647 8.911 -7.551 124 H ILE 18 H ILE 18 11.811 4.726 -7.530 125 HA ILE 18 HA ILE 18 9.029 4.239 -6.751 126 HB ILE 18 HB ILE 18 11.034 2.141 -7.553 127 HG12 ILE 18 HG12 ILE 18 10.951 3.788 -9.345 128 HG13 ILE 18 HG13 ILE 18 10.118 2.304 -9.839 129 HG21 ILE 18 HG21 ILE 18 8.854 1.030 -8.300 130 HG22 ILE 18 HG22 ILE 18 9.164 1.138 -6.568 131 HG23 ILE 18 HG23 ILE 18 8.044 2.263 -7.335 132 HD11 ILE 18 HD11 ILE 18 8.869 4.906 -9.016 133 HD12 ILE 18 HD12 ILE 18 8.792 4.109 -10.587 134 HD13 ILE 18 HD13 ILE 18 7.960 3.407 -9.199 135 H GLU 19 H GLU 19 8.540 2.693 -5.084 136 HA GLU 19 HA GLU 19 10.420 1.547 -3.360 137 HB2 GLU 19 HB2 GLU 19 9.994 3.074 -1.362 138 HB3 GLU 19 HB3 GLU 19 11.102 3.672 -2.606 139 HG2 GLU 19 HG2 GLU 19 9.332 5.053 -3.558 140 HG3 GLU 19 HG3 GLU 19 8.204 4.441 -2.340 141 H ASP 20 H ASP 20 8.754 -0.033 -3.811 142 HA ASP 20 HA ASP 20 6.713 -0.021 -1.746 143 HB2 ASP 20 HB2 ASP 20 5.599 1.037 -3.683 144 HB3 ASP 20 HB3 ASP 20 5.980 -0.389 -4.659 145 H SER 21 H SER 21 7.172 -1.858 -0.732 146 HA SER 21 HA SER 21 6.871 -4.373 -2.013 147 HB2 SER 21 HB2 SER 21 9.388 -4.944 -1.155 148 HB3 SER 21 HB3 SER 21 8.987 -4.513 -2.827 149 HG SER 21 HG SER 21 10.397 -3.100 -0.949 150 H TYR 22 H TYR 22 5.372 -4.458 -0.261 151 HA TYR 22 HA TYR 22 6.457 -4.554 2.439 152 HB2 TYR 22 HB2 TYR 22 3.635 -4.771 1.366 153 HB3 TYR 22 HB3 TYR 22 4.046 -4.901 3.077 154 HD1 TYR 22 HD1 TYR 22 4.156 -2.585 0.183 155 HD2 TYR 22 HD2 TYR 22 4.371 -2.985 4.413 156 HE1 TYR 22 HE1 TYR 22 4.042 -0.139 0.415 157 HE2 TYR 22 HE2 TYR 22 4.256 -0.541 4.657 158 HH TYR 22 HH TYR 22 3.166 1.464 2.604 159 H SER 23 H SER 23 5.527 -6.377 3.857 160 HA SER 23 HA SER 23 5.540 -8.582 4.414 161 HB2 SER 23 HB2 SER 23 3.862 -8.357 2.186 162 HB3 SER 23 HB3 SER 23 4.922 -9.730 1.819 163 HG SER 23 HG SER 23 4.332 -10.625 3.849 164 H THR 24 H THR 24 6.338 -10.869 3.354 165 HA THR 24 HA THR 24 9.151 -10.374 2.765 166 HB THR 24 HB THR 24 9.238 -12.957 3.028 167 HG1 THR 24 HG1 THR 24 6.818 -12.457 4.435 168 HG21 THR 24 HG21 THR 24 8.757 -10.948 5.202 169 HG22 THR 24 HG22 THR 24 10.266 -11.721 4.713 170 HG23 THR 24 HG23 THR 24 9.046 -12.643 5.592 171 H GLU 25 H GLU 25 6.390 -12.156 1.425 172 HA GLU 25 HA GLU 25 7.823 -12.256 -1.147 173 HB2 GLU 25 HB2 GLU 25 5.945 -14.337 -0.003 174 HB3 GLU 25 HB3 GLU 25 6.663 -14.384 -1.621 175 HG2 GLU 25 HG2 GLU 25 8.921 -14.407 -0.542 176 HG3 GLU 25 HG3 GLU 25 8.097 -14.592 1.013 177 H SER 26 H SER 26 4.514 -12.923 -0.000 178 HA SER 26 HA SER 26 3.193 -12.075 -2.281 179 HB2 SER 26 HB2 SER 26 2.245 -11.995 0.600 180 HB3 SER 26 HB3 SER 26 1.194 -11.818 -0.816 181 HG SER 26 HG SER 26 1.083 -13.915 -0.705 182 H ALA 27 H ALA 27 2.452 -10.159 -3.050 183 HA ALA 27 HA ALA 27 3.171 -7.743 -1.520 184 HB1 ALA 27 HB1 ALA 27 4.364 -7.038 -3.248 185 HB2 ALA 27 HB2 ALA 27 4.013 -8.542 -4.099 186 HB3 ALA 27 HB3 ALA 27 2.948 -7.148 -4.294 187 H TRP 28 H TRP 28 1.861 -5.809 -2.089 188 HA TRP 28 HA TRP 28 -0.949 -6.593 -2.441 189 HB2 TRP 28 HB2 TRP 28 0.438 -4.467 -0.874 190 HB3 TRP 28 HB3 TRP 28 -1.166 -4.097 -1.506 191 HD1 TRP 28 HD1 TRP 28 0.330 -5.414 1.506 192 HE1 TRP 28 HE1 TRP 28 -1.354 -6.781 2.892 193 HE3 TRP 28 HE3 TRP 28 -3.295 -6.072 -2.039 194 HZ2 TRP 28 HZ2 TRP 28 -3.883 -7.981 2.531 195 HZ3 TRP 28 HZ3 TRP 28 -5.315 -7.343 -1.438 196 HH2 TRP 28 HH2 TRP 28 -5.600 -8.276 0.799 197 H VAL 29 H VAL 29 -2.126 -5.851 -4.104 198 HA VAL 29 HA VAL 29 -1.024 -3.667 -5.738 199 HB VAL 29 HB VAL 29 -1.919 -4.896 -7.762 200 HG11 VAL 29 HG11 VAL 29 0.109 -5.977 -8.144 201 HG12 VAL 29 HG12 VAL 29 0.515 -4.761 -6.932 202 HG13 VAL 29 HG13 VAL 29 0.289 -6.443 -6.453 203 HG21 VAL 29 HG21 VAL 29 -2.286 -7.253 -7.640 204 HG22 VAL 29 HG22 VAL 29 -1.808 -7.297 -5.943 205 HG23 VAL 29 HG23 VAL 29 -3.304 -6.491 -6.417 206 H ARG 30 H ARG 30 -2.494 -2.251 -6.586 207 HA ARG 30 HA ARG 30 -5.282 -2.629 -5.726 208 HB2 ARG 30 HB2 ARG 30 -4.054 -0.671 -4.794 209 HB3 ARG 30 HB3 ARG 30 -3.878 -0.051 -6.442 210 HG2 ARG 30 HG2 ARG 30 -6.591 -0.520 -6.241 211 HG3 ARG 30 HG3 ARG 30 -6.147 0.089 -4.638 212 HD2 ARG 30 HD2 ARG 30 -6.748 1.968 -6.011 213 HD3 ARG 30 HD3 ARG 30 -5.001 2.001 -5.740 214 HE ARG 30 HE ARG 30 -5.790 0.674 -8.173 215 HH11 ARG 30 HH11 ARG 30 -4.947 3.706 -6.684 216 HH12 ARG 30 HH12 ARG 30 -4.461 4.450 -8.172 217 HH21 ARG 30 HH21 ARG 30 -5.153 1.643 -10.138 218 HH22 ARG 30 HH22 ARG 30 -4.579 3.276 -10.135 219 H CYS 31 H CYS 31 -6.960 -2.382 -7.155 220 HA CYS 31 HA CYS 31 -6.346 -2.800 -9.926 221 HB2 CYS 31 HB2 CYS 31 -8.232 -3.935 -8.824 222 HB3 CYS 31 HB3 CYS 31 -9.014 -2.374 -8.564 223 H ASP 32 H ASP 32 -6.591 -1.425 -11.629 224 HA ASP 32 HA ASP 32 -6.905 1.406 -10.957 225 HB2 ASP 32 HB2 ASP 32 -4.983 0.232 -12.412 226 HB3 ASP 32 HB3 ASP 32 -6.148 0.553 -13.704 227 H ASP 33 H ASP 33 -9.217 -0.300 -11.050 228 HA ASP 33 HA ASP 33 -10.718 1.132 -13.116 229 HB2 ASP 33 HB2 ASP 33 -10.176 -1.102 -14.036 230 HB3 ASP 33 HB3 ASP 33 -10.966 -1.845 -12.639 231 H CYS 34 H CYS 34 -10.827 -0.933 -10.242 232 HA CYS 34 HA CYS 34 -13.306 0.449 -9.444 233 HB2 CYS 34 HB2 CYS 34 -13.923 -1.547 -8.177 234 HB3 CYS 34 HB3 CYS 34 -13.691 -1.934 -9.884 235 H PHE 35 H PHE 35 -10.055 -0.024 -8.766 236 HA PHE 35 HA PHE 35 -8.696 0.617 -7.059 237 HB2 PHE 35 HB2 PHE 35 -11.126 2.075 -5.990 238 HB3 PHE 35 HB3 PHE 35 -9.438 2.405 -5.599 239 HD1 PHE 35 HD2 PHE 35 -7.891 3.159 -7.483 240 HD2 PHE 35 HD1 PHE 35 -12.136 3.175 -7.788 241 HE1 PHE 35 HE2 PHE 35 -7.748 4.772 -9.335 242 HE2 PHE 35 HE1 PHE 35 -12.000 4.787 -9.642 243 HZ PHE 35 HZ PHE 35 -9.805 5.588 -10.417 244 H LYS 36 H LYS 36 -8.938 -1.743 -6.538 245 HA LYS 36 HA LYS 36 -9.882 -2.008 -3.771 246 HB2 LYS 36 HB2 LYS 36 -11.259 -3.115 -5.850 247 HB3 LYS 36 HB3 LYS 36 -10.159 -4.433 -5.418 248 HG2 LYS 36 HG2 LYS 36 -12.029 -4.883 -4.130 249 HG3 LYS 36 HG3 LYS 36 -10.962 -4.026 -3.005 250 HD2 LYS 36 HD2 LYS 36 -12.164 -1.944 -3.385 251 HD3 LYS 36 HD3 LYS 36 -13.194 -2.746 -4.584 252 HE2 LYS 36 HE2 LYS 36 -13.617 -4.401 -2.518 253 HE3 LYS 36 HE3 LYS 36 -13.235 -2.921 -1.626 254 HZ1 LYS 36 HZ1 LYS 36 -15.445 -2.612 -1.900 255 HZ2 LYS 36 HZ2 LYS 36 -15.529 -3.519 -3.324 256 HZ3 LYS 36 HZ3 LYS 36 -14.944 -1.933 -3.365 257 H TRP 37 H TRP 37 -8.602 -3.230 -2.447 258 HA TRP 37 HA TRP 37 -5.916 -3.685 -3.288 259 HB2 TRP 37 HB2 TRP 37 -7.462 -4.008 -0.755 260 HB3 TRP 37 HB3 TRP 37 -5.949 -4.901 -0.911 261 HD1 TRP 37 HD1 TRP 37 -6.954 -1.926 0.661 262 HE1 TRP 37 HE1 TRP 37 -5.114 -0.128 0.723 263 HE3 TRP 37 HE3 TRP 37 -3.860 -3.809 -2.947 264 HZ2 TRP 37 HZ2 TRP 37 -2.673 0.420 -0.585 265 HZ3 TRP 37 HZ3 TRP 37 -1.792 -2.587 -3.483 266 HH2 TRP 37 HH2 TRP 37 -1.213 -0.516 -2.325 267 H ARG 38 H ARG 38 -4.838 -5.580 -3.681 268 HA ARG 38 HA ARG 38 -6.292 -8.103 -3.500 269 HB2 ARG 38 HB2 ARG 38 -6.209 -6.732 -5.893 270 HB3 ARG 38 HB3 ARG 38 -4.855 -7.862 -6.034 271 HG2 ARG 38 HG2 ARG 38 -6.455 -9.226 -6.851 272 HG3 ARG 38 HG3 ARG 38 -6.717 -9.550 -5.128 273 HD2 ARG 38 HD2 ARG 38 -8.461 -7.787 -5.084 274 HD3 ARG 38 HD3 ARG 38 -8.231 -7.568 -6.824 275 HE ARG 38 HE ARG 38 -8.766 -10.253 -6.457 276 HH11 ARG 38 HH11 ARG 38 -10.375 -7.221 -5.867 277 HH12 ARG 38 HH12 ARG 38 -11.966 -7.879 -6.063 278 HH21 ARG 38 HH21 ARG 38 -10.856 -11.129 -6.717 279 HH22 ARG 38 HH22 ARG 38 -12.239 -10.101 -6.546 280 H ARG 39 H ARG 39 -5.017 -9.610 -2.658 281 HA ARG 39 HA ARG 39 -2.174 -9.106 -2.409 282 HB2 ARG 39 HB2 ARG 39 -3.947 -10.170 -0.692 283 HB3 ARG 39 HB3 ARG 39 -3.347 -11.655 -1.445 284 HG2 ARG 39 HG2 ARG 39 -1.006 -10.391 -0.934 285 HG3 ARG 39 HG3 ARG 39 -2.011 -9.808 0.403 286 HD2 ARG 39 HD2 ARG 39 -2.629 -12.186 0.896 287 HD3 ARG 39 HD3 ARG 39 -1.450 -12.677 -0.328 288 HE ARG 39 HE ARG 39 -0.372 -10.960 1.720 289 HH11 ARG 39 HH11 ARG 39 -1.054 -14.240 0.768 290 HH12 ARG 39 HH12 ARG 39 0.146 -14.930 1.811 291 HH21 ARG 39 HH21 ARG 39 1.210 -11.857 3.097 292 HH22 ARG 39 HH22 ARG 39 1.432 -13.574 3.136 293 H ILE 40 H ILE 40 -0.683 -9.892 -3.734 294 HA ILE 40 HA ILE 40 -1.296 -12.330 -5.269 295 HB ILE 40 HB ILE 40 -0.302 -11.462 -7.239 296 HG12 ILE 40 HG12 ILE 40 0.483 -9.081 -5.543 297 HG13 ILE 40 HG13 ILE 40 1.571 -10.262 -6.292 298 HG21 ILE 40 HG21 ILE 40 -1.739 -9.588 -7.787 299 HG22 ILE 40 HG22 ILE 40 -2.621 -10.761 -6.812 300 HG23 ILE 40 HG23 ILE 40 -2.022 -9.276 -6.075 301 HD11 ILE 40 HD11 ILE 40 -0.104 -8.200 -7.692 302 HD12 ILE 40 HD12 ILE 40 1.655 -8.279 -7.595 303 HD13 ILE 40 HD13 ILE 40 0.767 -9.490 -8.521 304 HA PRO 41 HA PRO 41 2.568 -13.897 -3.890 305 HB2 PRO 41 HB2 PRO 41 3.263 -15.496 -6.003 306 HB3 PRO 41 HB3 PRO 41 1.968 -15.888 -4.870 307 HG2 PRO 41 HG2 PRO 41 1.804 -14.611 -7.579 308 HG3 PRO 41 HG3 PRO 41 0.796 -15.931 -6.877 309 HD2 PRO 41 HD2 PRO 41 -0.053 -13.357 -7.018 310 HD3 PRO 41 HD3 PRO 41 -0.504 -14.441 -5.691 311 H ALA 42 H ALA 42 4.833 -13.780 -4.195 312 HA ALA 42 HA ALA 42 5.739 -11.442 -5.511 313 HB1 ALA 42 HB1 ALA 42 7.655 -13.576 -4.710 314 HB2 ALA 42 HB2 ALA 42 7.763 -11.827 -4.510 315 HB3 ALA 42 HB3 ALA 42 6.706 -12.772 -3.459 316 H SER 43 H SER 43 5.112 -14.552 -6.661 317 HA SER 43 HA SER 43 7.140 -14.662 -8.686 318 HB2 SER 43 HB2 SER 43 5.954 -16.666 -7.673 319 HB3 SER 43 HB3 SER 43 4.541 -16.206 -8.639 320 HG SER 43 HG SER 43 6.544 -17.673 -9.426 321 H VAL 44 H VAL 44 3.775 -13.635 -8.525 322 HA VAL 44 HA VAL 44 3.754 -12.993 -11.370 323 HB VAL 44 HB VAL 44 1.770 -14.052 -10.237 324 HG11 VAL 44 HG11 VAL 44 1.425 -11.296 -9.061 325 HG12 VAL 44 HG12 VAL 44 0.295 -12.644 -8.922 326 HG13 VAL 44 HG13 VAL 44 1.883 -12.741 -8.159 327 HG21 VAL 44 HG21 VAL 44 0.837 -13.292 -12.107 328 HG22 VAL 44 HG22 VAL 44 0.336 -11.863 -11.204 329 HG23 VAL 44 HG23 VAL 44 1.855 -11.852 -12.099 330 H VAL 45 H VAL 45 3.978 -11.439 -8.261 331 HA VAL 45 HA VAL 45 3.269 -8.830 -8.884 332 HB VAL 45 HB VAL 45 4.033 -9.903 -6.622 333 HG11 VAL 45 HG11 VAL 45 6.598 -8.522 -7.349 334 HG12 VAL 45 HG12 VAL 45 6.258 -9.567 -5.968 335 HG13 VAL 45 HG13 VAL 45 6.372 -10.254 -7.588 336 HG21 VAL 45 HG21 VAL 45 4.938 -7.370 -6.126 337 HG22 VAL 45 HG22 VAL 45 3.999 -7.147 -7.602 338 HG23 VAL 45 HG23 VAL 45 3.242 -7.853 -6.174 339 H GLY 46 H GLY 46 6.078 -10.642 -9.802 340 HA2 GLY 46 HA2 GLY 46 7.433 -8.213 -10.744 341 HA3 GLY 46 HA3 GLY 46 8.161 -9.806 -10.604 342 H SER 47 H SER 47 5.025 -9.568 -12.021 343 HA SER 47 HA SER 47 6.173 -9.677 -14.723 344 HB2 SER 47 HB2 SER 47 3.951 -11.532 -13.846 345 HB3 SER 47 HB3 SER 47 4.922 -11.604 -15.328 346 HG SER 47 HG SER 47 6.649 -12.322 -14.181 347 H ILE 48 H ILE 48 3.294 -9.272 -12.716 348 HA ILE 48 HA ILE 48 1.626 -8.294 -14.798 349 HB ILE 48 HB ILE 48 0.138 -7.525 -12.996 350 HG12 ILE 48 HG12 ILE 48 1.051 -8.448 -10.642 351 HG13 ILE 48 HG13 ILE 48 2.590 -7.979 -11.384 352 HG21 ILE 48 HG21 ILE 48 1.215 -10.266 -13.159 353 HG22 ILE 48 HG22 ILE 48 0.210 -9.907 -11.756 354 HG23 ILE 48 HG23 ILE 48 -0.433 -9.676 -13.382 355 HD11 ILE 48 HD11 ILE 48 0.383 -6.298 -10.408 356 HD12 ILE 48 HD12 ILE 48 2.121 -5.997 -10.438 357 HD13 ILE 48 HD13 ILE 48 1.162 -5.771 -11.900 358 H ASP 49 H ASP 49 4.153 -6.893 -12.982 359 HA ASP 49 HA ASP 49 3.228 -4.163 -13.386 360 HB2 ASP 49 HB2 ASP 49 5.571 -5.411 -11.965 361 HB3 ASP 49 HB3 ASP 49 5.553 -3.681 -12.328 362 H GLU 50 H GLU 50 3.491 -5.375 -15.796 363 HA GLU 50 HA GLU 50 6.080 -4.496 -16.865 364 HB2 GLU 50 HB2 GLU 50 5.604 -5.846 -18.811 365 HB3 GLU 50 HB3 GLU 50 5.376 -6.820 -17.351 366 HG2 GLU 50 HG2 GLU 50 3.349 -7.366 -18.042 367 HG3 GLU 50 HG3 GLU 50 2.881 -5.663 -17.930 368 H SER 51 H SER 51 3.060 -3.305 -16.404 369 HA SER 51 HA SER 51 3.342 -1.457 -18.668 370 HB2 SER 51 HB2 SER 51 0.973 -3.126 -17.934 371 HB3 SER 51 HB3 SER 51 0.684 -1.487 -18.539 372 HG SER 51 HG SER 51 2.117 -2.116 -20.333 373 H SER 52 H SER 52 3.505 -1.705 -15.499 374 HA SER 52 HA SER 52 3.354 -0.249 -13.758 375 HB2 SER 52 HB2 SER 52 2.496 1.962 -15.606 376 HB3 SER 52 HB3 SER 52 3.564 2.028 -14.193 377 HG SER 52 HG SER 52 4.976 0.604 -15.591 378 H ARG 53 H ARG 53 1.182 -1.821 -14.108 379 HA ARG 53 HA ARG 53 -0.841 -0.424 -12.733 380 HB2 ARG 53 HB2 ARG 53 -2.583 -0.253 -14.325 381 HB3 ARG 53 HB3 ARG 53 -1.154 0.456 -15.092 382 HG2 ARG 53 HG2 ARG 53 -1.034 -2.213 -15.829 383 HG3 ARG 53 HG3 ARG 53 -2.758 -1.812 -15.905 384 HD2 ARG 53 HD2 ARG 53 -0.542 -0.233 -17.232 385 HD3 ARG 53 HD3 ARG 53 -1.595 -1.403 -18.041 386 HE ARG 53 HE ARG 53 -3.296 0.400 -16.858 387 HH11 ARG 53 HH11 ARG 53 -0.702 0.540 -19.176 388 HH12 ARG 53 HH12 ARG 53 -1.351 1.910 -20.015 389 HH21 ARG 53 HH21 ARG 53 -4.161 2.203 -17.956 390 HH22 ARG 53 HH22 ARG 53 -3.319 2.855 -19.321 391 H TRP 54 H TRP 54 -2.944 -1.820 -12.701 392 HA TRP 54 HA TRP 54 -2.691 -4.595 -13.295 393 HB2 TRP 54 HB2 TRP 54 -1.152 -4.504 -11.385 394 HB3 TRP 54 HB3 TRP 54 -2.415 -3.769 -10.398 395 HD1 TRP 54 HD1 TRP 54 -1.149 -7.116 -11.526 396 HE1 TRP 54 HE1 TRP 54 -2.610 -8.981 -10.521 397 HE3 TRP 54 HE3 TRP 54 -4.979 -4.256 -9.714 398 HZ2 TRP 54 HZ2 TRP 54 -5.064 -9.210 -9.144 399 HZ3 TRP 54 HZ3 TRP 54 -6.846 -5.376 -8.566 400 HH2 TRP 54 HH2 TRP 54 -6.885 -7.801 -8.289 401 H ILE 55 H ILE 55 -4.621 -5.704 -13.033 402 HA ILE 55 HA ILE 55 -6.850 -4.263 -11.788 403 HB ILE 55 HB ILE 55 -8.276 -5.085 -13.769 404 HG12 ILE 55 HG12 ILE 55 -5.506 -5.125 -14.992 405 HG13 ILE 55 HG13 ILE 55 -6.612 -6.500 -14.835 406 HG21 ILE 55 HG21 ILE 55 -6.314 -2.835 -14.196 407 HG22 ILE 55 HG22 ILE 55 -7.873 -3.028 -14.998 408 HG23 ILE 55 HG23 ILE 55 -7.805 -2.731 -13.262 409 HD11 ILE 55 HD11 ILE 55 -8.117 -4.675 -16.224 410 HD12 ILE 55 HD12 ILE 55 -6.495 -4.447 -16.880 411 HD13 ILE 55 HD13 ILE 55 -7.244 -6.044 -16.913 412 H CYS 56 H CYS 56 -8.802 -5.673 -11.556 413 HA CYS 56 HA CYS 56 -8.193 -8.009 -10.173 414 HB2 CYS 56 HB2 CYS 56 -10.831 -7.364 -11.511 415 HB3 CYS 56 HB3 CYS 56 -10.580 -8.446 -10.140 416 H MET 57 H MET 57 -9.535 -7.653 -13.452 417 HA MET 57 HA MET 57 -9.672 -10.374 -14.074 418 HB2 MET 57 HB2 MET 57 -9.618 -9.628 -16.456 419 HB3 MET 57 HB3 MET 57 -10.801 -8.768 -15.457 420 HG2 MET 57 HG2 MET 57 -8.512 -7.212 -15.254 421 HG3 MET 57 HG3 MET 57 -8.535 -7.744 -16.937 422 HE1 MET 57 HE1 MET 57 -10.063 -5.904 -14.127 423 HE2 MET 57 HE2 MET 57 -11.304 -4.860 -14.821 424 HE3 MET 57 HE3 MET 57 -11.676 -6.543 -14.445 425 H ASN 58 H ASN 58 -6.968 -8.286 -13.788 426 HA ASN 58 HA ASN 58 -5.219 -9.922 -15.420 427 HB2 ASN 58 HB2 ASN 58 -5.017 -7.335 -13.979 428 HB3 ASN 58 HB3 ASN 58 -3.521 -8.265 -14.133 429 HD21 ASN 58 HD21 ASN 58 -6.248 -7.980 -16.363 430 HD22 ASN 58 HD22 ASN 58 -5.332 -7.333 -17.677 431 H ASN 59 H ASN 59 -6.431 -10.057 -12.308 432 HA ASN 59 HA ASN 59 -4.259 -10.863 -10.757 433 HB2 ASN 59 HB2 ASN 59 -6.606 -10.347 -9.963 434 HB3 ASN 59 HB3 ASN 59 -7.062 -11.964 -10.514 435 HD21 ASN 59 HD21 ASN 59 -7.639 -12.439 -8.344 436 HD22 ASN 59 HD22 ASN 59 -6.429 -12.855 -7.183 437 H SER 60 H SER 60 -3.262 -12.799 -10.374 438 HA SER 60 HA SER 60 -3.121 -14.663 -12.474 439 HB2 SER 60 HB2 SER 60 -1.592 -14.087 -10.258 440 HB3 SER 60 HB3 SER 60 -2.266 -15.676 -9.852 441 HG SER 60 HG SER 60 -0.870 -15.026 -12.240 442 H ASP 61 H ASP 61 -5.146 -14.474 -9.669 443 HA ASP 61 HA ASP 61 -5.921 -17.206 -9.565 444 HB2 ASP 61 HB2 ASP 61 -6.355 -14.929 -8.013 445 HB3 ASP 61 HB3 ASP 61 -7.959 -15.354 -8.627 446 H LYS 62 H LYS 62 -8.636 -17.276 -9.576 447 HA LYS 62 HA LYS 62 -9.421 -16.435 -12.283 448 HB2 LYS 62 HB2 LYS 62 -10.177 -19.115 -11.119 449 HB3 LYS 62 HB3 LYS 62 -10.344 -18.561 -12.792 450 HG2 LYS 62 HG2 LYS 62 -8.499 -19.815 -13.098 451 HG3 LYS 62 HG3 LYS 62 -7.686 -18.348 -12.525 452 HD2 LYS 62 HD2 LYS 62 -6.776 -20.203 -11.315 453 HD3 LYS 62 HD3 LYS 62 -7.802 -19.277 -10.206 454 HE2 LYS 62 HE2 LYS 62 -9.281 -20.962 -9.949 455 HE3 LYS 62 HE3 LYS 62 -9.199 -21.408 -11.659 456 HZ1 LYS 62 HZ1 LYS 62 -7.464 -22.827 -11.308 457 HZ2 LYS 62 HZ2 LYS 62 -8.255 -22.980 -9.821 458 HZ3 LYS 62 HZ3 LYS 62 -6.886 -21.995 -9.954 459 H ARG 63 H ARG 63 -10.672 -17.898 -9.280 460 HA ARG 63 HA ARG 63 -13.328 -16.992 -9.678 461 HB2 ARG 63 HB2 ARG 63 -11.811 -18.392 -7.594 462 HB3 ARG 63 HB3 ARG 63 -13.100 -17.357 -6.960 463 HG2 ARG 63 HG2 ARG 63 -13.940 -19.596 -7.274 464 HG3 ARG 63 HG3 ARG 63 -14.716 -18.494 -8.423 465 HD2 ARG 63 HD2 ARG 63 -14.028 -19.741 -10.137 466 HD3 ARG 63 HD3 ARG 63 -12.348 -19.525 -9.624 467 HE ARG 63 HE ARG 63 -12.375 -21.642 -8.759 468 HH11 ARG 63 HH11 ARG 63 -15.650 -20.592 -9.294 469 HH12 ARG 63 HH12 ARG 63 -16.343 -22.140 -8.938 470 HH21 ARG 63 HH21 ARG 63 -13.274 -23.685 -8.288 471 HH22 ARG 63 HH22 ARG 63 -14.991 -23.898 -8.365 472 H PHE 64 H PHE 64 -10.483 -15.488 -8.471 473 HA PHE 64 HA PHE 64 -12.086 -13.189 -7.558 474 HB2 PHE 64 HB2 PHE 64 -9.625 -14.460 -6.435 475 HB3 PHE 64 HB3 PHE 64 -9.797 -12.709 -6.290 476 HD1 PHE 64 HD1 PHE 64 -12.132 -15.601 -5.926 477 HD2 PHE 64 HD2 PHE 64 -10.512 -12.054 -4.219 478 HE1 PHE 64 HE1 PHE 64 -13.585 -15.888 -3.960 479 HE2 PHE 64 HE2 PHE 64 -11.962 -12.336 -2.250 480 HZ PHE 64 HZ PHE 64 -13.499 -14.255 -2.119 481 H ALA 65 H ALA 65 -10.939 -13.917 -10.237 482 HA ALA 65 HA ALA 65 -9.134 -11.620 -10.605 483 HB1 ALA 65 HB1 ALA 65 -8.079 -12.719 -12.322 484 HB2 ALA 65 HB2 ALA 65 -8.513 -14.073 -11.279 485 HB3 ALA 65 HB3 ALA 65 -9.489 -13.708 -12.702 486 H ASP 66 H ASP 66 -11.264 -10.404 -10.457 487 HA ASP 66 HA ASP 66 -11.975 -9.453 -12.996 488 HB2 ASP 66 HB2 ASP 66 -13.568 -11.704 -11.986 489 HB3 ASP 66 HB3 ASP 66 -14.534 -10.291 -12.433 490 H CYS 67 H CYS 67 -13.112 -7.547 -12.873 491 HA CYS 67 HA CYS 67 -13.140 -6.207 -10.399 492 HB2 CYS 67 HB2 CYS 67 -14.056 -5.619 -13.167 493 HB3 CYS 67 HB3 CYS 67 -14.748 -4.638 -11.873 494 H SER 68 H SER 68 -15.493 -8.168 -12.002 495 HA SER 68 HA SER 68 -17.805 -7.193 -10.672 496 HB2 SER 68 HB2 SER 68 -17.275 -9.035 -12.703 497 HB3 SER 68 HB3 SER 68 -17.963 -10.008 -11.389 498 HG SER 68 HG SER 68 -19.795 -9.288 -12.132 499 H LYS 69 H LYS 69 -15.274 -9.386 -9.792 500 HA LYS 69 HA LYS 69 -16.642 -10.775 -7.730 501 HB2 LYS 69 HB2 LYS 69 -13.671 -10.250 -7.931 502 HB3 LYS 69 HB3 LYS 69 -14.468 -11.559 -7.044 503 HG2 LYS 69 HG2 LYS 69 -14.384 -11.212 -10.042 504 HG3 LYS 69 HG3 LYS 69 -13.509 -12.417 -9.080 505 HD2 LYS 69 HD2 LYS 69 -15.238 -13.794 -9.387 506 HD3 LYS 69 HD3 LYS 69 -16.171 -12.724 -8.327 507 HE2 LYS 69 HE2 LYS 69 -17.055 -11.500 -10.163 508 HE3 LYS 69 HE3 LYS 69 -15.901 -12.236 -11.283 509 HZ1 LYS 69 HZ1 LYS 69 -17.513 -14.181 -9.932 510 HZ2 LYS 69 HZ2 LYS 69 -17.218 -13.987 -11.585 511 HZ3 LYS 69 HZ3 LYS 69 -18.441 -13.091 -10.834 512 H SER 70 H SER 70 -15.139 -10.584 -5.477 513 HA SER 70 HA SER 70 -15.599 -7.807 -4.605 514 HB2 SER 70 HB2 SER 70 -15.620 -10.096 -2.665 515 HB3 SER 70 HB3 SER 70 -16.472 -8.544 -2.587 516 HG SER 70 HG SER 70 -17.760 -10.492 -3.115 517 H GLN 71 H GLN 71 -14.400 -7.645 -2.265 518 HA GLN 71 HA GLN 71 -11.618 -7.666 -2.934 519 HB2 GLN 71 HB2 GLN 71 -12.873 -5.938 -1.518 520 HB3 GLN 71 HB3 GLN 71 -12.753 -7.115 -0.201 521 HG2 GLN 71 HG2 GLN 71 -10.457 -6.917 -0.033 522 HG3 GLN 71 HG3 GLN 71 -10.298 -6.285 -1.678 523 HE21 GLN 71 HE21 GLN 71 -8.946 -4.927 0.076 524 HE22 GLN 71 HE22 GLN 71 -9.714 -3.441 0.505 525 H GLU 72 H GLU 72 -9.964 -8.546 -1.403 526 HA GLU 72 HA GLU 72 -10.653 -11.315 -0.774 527 HB2 GLU 72 HB2 GLU 72 -7.905 -10.072 -0.680 528 HB3 GLU 72 HB3 GLU 72 -8.326 -11.785 -0.827 529 HG2 GLU 72 HG2 GLU 72 -9.537 -10.711 -3.036 530 HG3 GLU 72 HG3 GLU 72 -8.070 -9.735 -2.887 531 H MET 73 H MET 73 -9.453 -8.378 0.744 532 HA MET 73 HA MET 73 -10.035 -9.565 3.360 533 HB2 MET 73 HB2 MET 73 -7.462 -8.246 2.509 534 HB3 MET 73 HB3 MET 73 -7.961 -8.288 4.208 535 HG2 MET 73 HG2 MET 73 -7.825 -10.633 4.320 536 HG3 MET 73 HG3 MET 73 -7.768 -10.784 2.562 537 HE1 MET 73 HE1 MET 73 -5.834 -8.920 5.469 538 HE2 MET 73 HE2 MET 73 -4.287 -8.643 4.668 539 HE3 MET 73 HE3 MET 73 -5.749 -7.869 4.054 540 H SER 74 H SER 74 -10.153 -7.878 5.092 541 HA SER 74 HA SER 74 -11.736 -5.665 4.124 542 HB2 SER 74 HB2 SER 74 -10.943 -6.215 6.994 543 HB3 SER 74 HB3 SER 74 -12.343 -5.300 6.404 544 HG SER 74 HG SER 74 -12.157 -7.924 6.891 545 H ASN 75 H ASN 75 -11.365 -3.451 4.699 546 HA ASN 75 HA ASN 75 -8.862 -2.475 4.073 547 HB2 ASN 75 HB2 ASN 75 -11.102 -1.212 5.666 548 HB3 ASN 75 HB3 ASN 75 -9.664 -0.324 5.149 549 HD21 ASN 75 HD21 ASN 75 -9.168 -0.891 2.690 550 HD22 ASN 75 HD22 ASN 75 -10.515 -0.617 1.642 551 H GLU 76 H GLU 76 -10.246 -3.105 7.269 552 HA GLU 76 HA GLU 76 -8.213 -2.014 8.834 553 HB2 GLU 76 HB2 GLU 76 -8.976 -3.625 10.592 554 HB3 GLU 76 HB3 GLU 76 -10.274 -2.668 9.861 555 HG2 GLU 76 HG2 GLU 76 -10.736 -4.621 8.345 556 HG3 GLU 76 HG3 GLU 76 -9.610 -5.552 9.345 557 H GLU 77 H GLU 77 -8.577 -5.323 7.589 558 HA GLU 77 HA GLU 77 -6.265 -6.399 8.741 559 HB2 GLU 77 HB2 GLU 77 -7.390 -7.206 6.056 560 HB3 GLU 77 HB3 GLU 77 -6.500 -8.213 7.210 561 HG2 GLU 77 HG2 GLU 77 -8.568 -7.506 8.764 562 HG3 GLU 77 HG3 GLU 77 -9.344 -7.432 7.176 563 H ILE 78 H ILE 78 -6.757 -4.879 5.571 564 HA ILE 78 HA ILE 78 -4.111 -5.222 4.652 565 HB ILE 78 HB ILE 78 -6.099 -3.091 3.860 566 HG12 ILE 78 HG12 ILE 78 -5.533 -5.573 2.280 567 HG13 ILE 78 HG13 ILE 78 -6.650 -5.656 3.652 568 HG21 ILE 78 HG21 ILE 78 -4.694 -3.392 1.661 569 HG22 ILE 78 HG22 ILE 78 -4.144 -2.318 2.946 570 HG23 ILE 78 HG23 ILE 78 -3.451 -3.931 2.790 571 HD11 ILE 78 HD11 ILE 78 -7.269 -4.921 1.051 572 HD12 ILE 78 HD12 ILE 78 -8.293 -4.752 2.478 573 HD13 ILE 78 HD13 ILE 78 -7.273 -3.410 1.959 574 H ASN 79 H ASN 79 -5.709 -2.601 6.405 575 HA ASN 79 HA ASN 79 -3.614 -0.736 6.295 576 HB2 ASN 79 HB2 ASN 79 -5.165 0.507 7.305 577 HB3 ASN 79 HB3 ASN 79 -6.161 -0.934 7.542 578 HD21 ASN 79 HD21 ASN 79 -6.412 -1.751 9.531 579 HD22 ASN 79 HD22 ASN 79 -5.633 -1.144 10.949 580 H GLU 80 H GLU 80 -4.350 -3.291 8.632 581 HA GLU 80 HA GLU 80 -2.143 -2.644 10.341 582 HB2 GLU 80 HB2 GLU 80 -2.719 -4.640 11.569 583 HB3 GLU 80 HB3 GLU 80 -4.201 -3.764 11.155 584 HG2 GLU 80 HG2 GLU 80 -4.767 -5.309 9.452 585 HG3 GLU 80 HG3 GLU 80 -3.170 -6.066 9.528 586 H GLU 81 H GLU 81 -2.647 -4.699 7.581 587 HA GLU 81 HA GLU 81 -0.399 -6.387 7.926 588 HB2 GLU 81 HB2 GLU 81 -2.243 -6.971 6.434 589 HB3 GLU 81 HB3 GLU 81 -1.855 -5.588 5.400 590 HG2 GLU 81 HG2 GLU 81 -0.094 -6.614 4.422 591 HG3 GLU 81 HG3 GLU 81 0.331 -7.506 5.890 592 H LEU 82 H LEU 82 -0.886 -3.498 5.896 593 HA LEU 82 HA LEU 82 1.896 -3.385 5.175 594 HB2 LEU 82 HB2 LEU 82 -0.230 -1.271 4.807 595 HB3 LEU 82 HB3 LEU 82 1.320 -1.396 3.956 596 HG LEU 82 HG LEU 82 -0.439 -3.727 3.638 597 HD11 LEU 82 HD11 LEU 82 -2.108 -1.931 3.670 598 HD12 LEU 82 HD12 LEU 82 -1.937 -2.644 2.067 599 HD13 LEU 82 HD13 LEU 82 -1.205 -1.078 2.418 600 HD21 LEU 82 HD21 LEU 82 1.335 -3.843 2.220 601 HD22 LEU 82 HD22 LEU 82 1.462 -2.091 2.053 602 HD23 LEU 82 HD23 LEU 82 0.210 -2.972 1.177 603 H GLY 83 H GLY 83 -0.166 -1.942 7.587 604 HA2 GLY 83 HA2 GLY 83 0.601 -1.000 9.599 605 HA3 GLY 83 HA3 GLY 83 2.191 -0.809 8.878 606 H ILE 84 H ILE 84 -0.722 0.253 7.270 607 HA ILE 84 HA ILE 84 0.211 3.025 7.558 608 HB ILE 84 HB ILE 84 -1.096 3.544 5.570 609 HG12 ILE 84 HG12 ILE 84 -1.798 0.596 5.587 610 HG13 ILE 84 HG13 ILE 84 -2.917 1.933 5.904 611 HG21 ILE 84 HG21 ILE 84 1.193 1.915 5.672 612 HG22 ILE 84 HG22 ILE 84 0.186 1.285 4.369 613 HG23 ILE 84 HG23 ILE 84 0.678 2.979 4.362 614 HD11 ILE 84 HD11 ILE 84 -1.648 2.377 3.391 615 HD12 ILE 84 HD12 ILE 84 -2.313 0.744 3.433 616 HD13 ILE 84 HD13 ILE 84 -3.357 2.128 3.751 617 H GLY 85 H GLY 85 -1.932 4.510 7.031 618 HA2 GLY 85 HA2 GLY 85 -3.861 3.758 9.140 619 HA3 GLY 85 HA3 GLY 85 -3.327 5.408 8.863 620 H GLN 86 H GLN 86 -4.683 2.750 6.907 621 HA GLN 86 HA GLN 86 -5.893 4.287 4.962 622 HB2 GLN 86 HB2 GLN 86 -6.001 1.558 5.853 623 HB3 GLN 86 HB3 GLN 86 -7.636 2.117 5.463 624 HG2 GLN 86 HG2 GLN 86 -7.043 2.647 3.235 625 HG3 GLN 86 HG3 GLN 86 -5.319 2.464 3.588 626 HE21 GLN 86 HE21 GLN 86 -4.512 0.717 2.700 627 HE22 GLN 86 HE22 GLN 86 -5.301 -0.813 2.547 628 H ASP 87 H ASP 87 -8.321 4.495 4.631 629 HA ASP 87 HA ASP 87 -9.399 5.915 6.923 630 HB2 ASP 87 HB2 ASP 87 -10.003 5.794 4.000 631 HB3 ASP 87 HB3 ASP 87 -11.299 6.285 5.099 632 H GLU 88 H GLU 88 -9.928 4.209 8.322 633 HA GLU 88 HA GLU 88 -11.627 2.058 7.508 634 HB2 GLU 88 HB2 GLU 88 -11.194 2.964 10.351 635 HB3 GLU 88 HB3 GLU 88 -11.553 1.336 9.758 636 HG2 GLU 88 HG2 GLU 88 -9.308 1.390 8.593 637 HG3 GLU 88 HG3 GLU 88 -8.975 2.857 9.526 638 H ALA 89 H ALA 89 -12.171 4.740 9.801 639 HA ALA 89 HA ALA 89 -15.037 4.375 9.618 640 HB1 ALA 89 HB1 ALA 89 -15.196 5.633 11.504 641 HB2 ALA 89 HB2 ALA 89 -13.515 5.121 11.667 642 HB3 ALA 89 HB3 ALA 89 -13.893 6.720 11.024 643 H ASP 90 H ASP 90 -14.277 4.933 7.132 644 HA ASP 90 HA ASP 90 -14.112 7.660 6.435 645 HB2 ASP 90 HB2 ASP 90 -13.406 6.058 4.822 646 HB3 ASP 90 HB3 ASP 90 -14.959 5.213 4.887 647 H ALA 91 H ALA 91 -16.782 5.604 7.243 648 HA ALA 91 HA ALA 91 -18.579 7.709 7.621 649 HB1 ALA 91 HB1 ALA 91 -19.150 8.185 5.511 650 HB2 ALA 91 HB2 ALA 91 -18.449 6.691 4.885 651 HB3 ALA 91 HB3 ALA 91 -20.074 6.684 5.574 652 H TYR 92 H TYR 92 -18.085 4.320 6.890 653 HA TYR 92 HA TYR 92 -19.062 2.414 7.656 654 HB2 TYR 92 HB2 TYR 92 -18.597 4.037 9.839 655 HB3 TYR 92 HB3 TYR 92 -20.298 3.607 10.031 656 HD1 TYR 92 HD1 TYR 92 -17.269 1.726 8.889 657 HD2 TYR 92 HD2 TYR 92 -20.594 1.894 11.539 658 HE1 TYR 92 HE1 TYR 92 -16.631 -0.461 9.817 659 HE2 TYR 92 HE2 TYR 92 -19.965 -0.292 12.476 660 HH TYR 92 HH TYR 92 -17.044 -1.664 12.142 661 H ASP 93 H ASP 93 -21.326 1.758 8.945 662 HA ASP 93 HA ASP 93 -23.546 3.210 7.731 663 HB2 ASP 93 HB2 ASP 93 -22.496 1.017 6.431 664 HB3 ASP 93 HB3 ASP 93 -23.815 0.312 7.376 665 H CYS 94 H CYS 94 -25.625 1.613 8.281 666 HA CYS 94 HA CYS 94 -26.123 1.988 10.973 667 HB2 CYS 94 HB2 CYS 94 -27.460 0.797 8.737 668 HB3 CYS 94 HB3 CYS 94 -27.653 -0.257 10.139 669 H ASP 95 H ASP 95 -26.525 0.365 12.663 670 HA ASP 95 HA ASP 95 -25.189 -2.175 12.486 671 HB2 ASP 95 HB2 ASP 95 -23.452 -0.242 12.998 672 HB3 ASP 95 HB3 ASP 95 -24.093 -0.418 14.638 673 H ALA 96 H ALA 96 -27.822 -0.992 13.164 674 HA ALA 96 HA ALA 96 -28.371 -1.066 15.893 675 HB1 ALA 96 HB1 ALA 96 -29.846 -0.480 13.767 676 HB2 ALA 96 HB2 ALA 96 -30.421 -2.127 14.028 677 HB3 ALA 96 HB3 ALA 96 -30.568 -0.928 15.313 678 H ALA 97 H ALA 97 -27.998 -3.665 13.576 679 HA ALA 97 HA ALA 97 -29.175 -5.771 14.951 680 HB1 ALA 97 HB1 ALA 97 -26.645 -6.371 13.552 681 HB2 ALA 97 HB2 ALA 97 -28.239 -7.109 13.390 682 HB3 ALA 97 HB3 ALA 97 -27.895 -5.568 12.603 683 H LYS 98 H LYS 98 -26.181 -4.110 15.546 684 HA LYS 98 HA LYS 98 -24.630 -4.262 17.203 685 HB2 LYS 98 HB2 LYS 98 -27.091 -4.703 18.395 686 HB3 LYS 98 HB3 LYS 98 -26.108 -6.063 18.964 687 HG2 LYS 98 HG2 LYS 98 -25.618 -4.566 20.599 688 HG3 LYS 98 HG3 LYS 98 -24.359 -4.132 19.429 689 HD2 LYS 98 HD2 LYS 98 -26.694 -2.680 18.726 690 HD3 LYS 98 HD3 LYS 98 -26.460 -2.509 20.474 691 HE2 LYS 98 HE2 LYS 98 -24.280 -2.045 18.428 692 HE3 LYS 98 HE3 LYS 98 -25.312 -0.768 19.089 693 HZ1 LYS 98 HZ1 LYS 98 -23.930 -2.497 20.996 694 HZ2 LYS 98 HZ2 LYS 98 -24.297 -0.850 21.100 695 HZ3 LYS 98 HZ3 LYS 98 -22.995 -1.367 20.153 696 H ARG 99 H ARG 99 -23.023 -5.435 16.260 697 HA ARG 99 HA ARG 99 -22.681 -8.147 17.180 698 HB2 ARG 99 HB2 ARG 99 -23.001 -7.508 14.243 699 HB3 ARG 99 HB3 ARG 99 -22.222 -8.983 14.833 700 HG2 ARG 99 HG2 ARG 99 -24.326 -9.537 16.060 701 HG3 ARG 99 HG3 ARG 99 -25.081 -8.148 15.256 702 HD2 ARG 99 HD2 ARG 99 -24.225 -9.266 13.063 703 HD3 ARG 99 HD3 ARG 99 -24.106 -10.717 14.070 704 HE ARG 99 HE ARG 99 -26.644 -9.648 14.462 705 HH11 ARG 99 HH11 ARG 99 -24.771 -11.050 11.884 706 HH12 ARG 99 HH12 ARG 99 -26.151 -11.689 11.054 707 HH21 ARG 99 HH21 ARG 99 -28.469 -10.483 13.378 708 HH22 ARG 99 HH22 ARG 99 -28.254 -11.365 11.904 709 H GLY 100 H GLY 100 -21.489 -5.589 15.024 710 HA2 GLY 100 HA2 GLY 100 -19.269 -4.689 15.870 711 HA3 GLY 100 HA3 GLY 100 -18.739 -6.361 15.766 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -16.114 -3.958 51.992 2 HA2 GLY 1 HA2 GLY 1 -17.678 -3.360 49.984 3 HA3 GLY 1 HA3 GLY 1 -17.951 -1.922 50.954 4 H SER 2 H SER 2 -16.378 -0.346 51.076 5 HA SER 2 HA SER 2 -14.652 0.936 50.332 6 HB2 SER 2 HB2 SER 2 -12.987 -1.475 49.727 7 HB3 SER 2 HB3 SER 2 -12.543 0.031 50.550 8 HG SER 2 HG SER 2 -13.496 -2.303 51.598 9 H ARG 3 H ARG 3 -15.618 1.694 48.456 10 HA ARG 3 HA ARG 3 -15.407 0.186 45.996 11 HB2 ARG 3 HB2 ARG 3 -17.239 1.956 46.871 12 HB3 ARG 3 HB3 ARG 3 -16.203 3.039 45.930 13 HG2 ARG 3 HG2 ARG 3 -16.749 2.081 43.931 14 HG3 ARG 3 HG3 ARG 3 -17.066 0.499 44.663 15 HD2 ARG 3 HD2 ARG 3 -18.863 2.734 45.448 16 HD3 ARG 3 HD3 ARG 3 -19.014 2.108 43.801 17 HE ARG 3 HE ARG 3 -19.898 0.839 46.179 18 HH11 ARG 3 HH11 ARG 3 -18.529 0.191 43.045 19 HH12 ARG 3 HH12 ARG 3 -19.204 -1.401 42.934 20 HH21 ARG 3 HH21 ARG 3 -20.792 -1.256 46.046 21 HH22 ARG 3 HH22 ARG 3 -20.491 -2.223 44.642 22 H ARG 4 H ARG 4 -13.865 0.380 44.496 23 HA ARG 4 HA ARG 4 -12.417 2.742 43.961 24 HB2 ARG 4 HB2 ARG 4 -11.314 2.295 46.073 25 HB3 ARG 4 HB3 ARG 4 -10.968 0.634 45.569 26 HG2 ARG 4 HG2 ARG 4 -9.416 1.358 43.913 27 HG3 ARG 4 HG3 ARG 4 -9.892 3.050 44.139 28 HD2 ARG 4 HD2 ARG 4 -8.767 3.257 46.145 29 HD3 ARG 4 HD3 ARG 4 -8.864 1.523 46.482 30 HE ARG 4 HE ARG 4 -6.909 1.212 45.323 31 HH11 ARG 4 HH11 ARG 4 -8.159 4.391 44.651 32 HH12 ARG 4 HH12 ARG 4 -6.737 4.916 43.814 33 HH21 ARG 4 HH21 ARG 4 -5.030 1.891 44.222 34 HH22 ARG 4 HH22 ARG 4 -4.957 3.493 43.570 35 H ALA 5 H ALA 5 -12.808 2.283 41.833 36 HA ALA 5 HA ALA 5 -11.979 -0.281 40.730 37 HB1 ALA 5 HB1 ALA 5 -13.424 0.114 39.063 38 HB2 ALA 5 HB2 ALA 5 -14.052 1.375 40.124 39 HB3 ALA 5 HB3 ALA 5 -12.890 1.782 38.860 40 H SER 6 H SER 6 -10.979 0.079 38.362 41 HA SER 6 HA SER 6 -8.909 2.123 38.384 42 HB2 SER 6 HB2 SER 6 -7.888 -0.615 37.827 43 HB3 SER 6 HB3 SER 6 -7.087 0.762 38.606 44 HG SER 6 HG SER 6 -7.684 -1.119 39.975 45 H VAL 7 H VAL 7 -7.415 1.617 36.331 46 HA VAL 7 HA VAL 7 -8.982 0.579 34.106 47 HB VAL 7 HB VAL 7 -8.591 2.640 32.757 48 HG11 VAL 7 HG11 VAL 7 -10.435 3.922 33.746 49 HG12 VAL 7 HG12 VAL 7 -10.773 2.190 33.734 50 HG13 VAL 7 HG13 VAL 7 -10.283 2.983 35.231 51 HG21 VAL 7 HG21 VAL 7 -7.278 4.255 33.525 52 HG22 VAL 7 HG22 VAL 7 -8.399 4.537 34.858 53 HG23 VAL 7 HG23 VAL 7 -7.078 3.383 35.046 54 H GLY 8 H GLY 8 -7.750 -0.153 32.417 55 HA2 GLY 8 HA2 GLY 8 -4.915 0.520 32.308 56 HA3 GLY 8 HA3 GLY 8 -5.302 -1.158 32.655 57 H SER 9 H SER 9 -4.143 0.513 30.288 58 HA SER 9 HA SER 9 -5.404 -1.135 28.245 59 HB2 SER 9 HB2 SER 9 -6.461 1.284 28.472 60 HB3 SER 9 HB3 SER 9 -5.020 1.749 27.553 61 HG SER 9 HG SER 9 -7.259 0.594 26.658 62 H GLU 10 H GLU 10 -4.210 -0.857 26.102 63 HA GLU 10 HA GLU 10 -1.368 -0.252 26.557 64 HB2 GLU 10 HB2 GLU 10 -2.617 -2.806 25.773 65 HB3 GLU 10 HB3 GLU 10 -1.237 -2.315 24.781 66 HG2 GLU 10 HG2 GLU 10 0.242 -2.328 26.602 67 HG3 GLU 10 HG3 GLU 10 -1.084 -2.357 27.773 68 H PHE 11 H PHE 11 -0.208 -0.462 24.274 69 HA PHE 11 HA PHE 11 -1.812 0.426 22.052 70 HB2 PHE 11 HB2 PHE 11 -0.904 2.606 21.788 71 HB3 PHE 11 HB3 PHE 11 -1.439 2.492 23.466 72 HD1 PHE 11 HD2 PHE 11 0.269 2.016 25.265 73 HD2 PHE 11 HD1 PHE 11 1.336 3.117 21.295 74 HE1 PHE 11 HE2 PHE 11 2.508 2.663 26.051 75 HE2 PHE 11 HE1 PHE 11 3.578 3.764 22.073 76 HZ PHE 11 HZ PHE 11 4.166 3.539 24.454 77 H MET 12 H MET 12 -0.826 0.064 20.115 78 HA MET 12 HA MET 12 1.733 -1.323 20.220 79 HB2 MET 12 HB2 MET 12 1.234 -2.169 18.062 80 HB3 MET 12 HB3 MET 12 -0.281 -2.225 18.977 81 HG2 MET 12 HG2 MET 12 -1.042 -0.174 17.890 82 HG3 MET 12 HG3 MET 12 0.476 -0.093 16.993 83 HE1 MET 12 HE1 MET 12 0.501 -2.719 14.491 84 HE2 MET 12 HE2 MET 12 0.072 -1.046 14.130 85 HE3 MET 12 HE3 MET 12 1.270 -1.400 15.376 86 H VAL 13 H VAL 13 3.408 -0.859 18.626 87 HA VAL 13 HA VAL 13 4.149 1.853 18.611 88 HB VAL 13 HB VAL 13 5.965 1.172 17.079 89 HG11 VAL 13 HG11 VAL 13 5.857 -1.019 19.078 90 HG12 VAL 13 HG12 VAL 13 7.153 0.121 18.714 91 HG13 VAL 13 HG13 VAL 13 5.764 0.639 19.669 92 HG21 VAL 13 HG21 VAL 13 5.109 -0.406 15.625 93 HG22 VAL 13 HG22 VAL 13 6.064 -1.406 16.720 94 HG23 VAL 13 HG23 VAL 13 4.313 -1.314 16.912 95 H VAL 14 H VAL 14 4.884 2.911 16.450 96 HA VAL 14 HA VAL 14 2.800 2.584 14.402 97 HB VAL 14 HB VAL 14 2.819 5.108 14.150 98 HG11 VAL 14 HG11 VAL 14 1.240 3.453 15.643 99 HG12 VAL 14 HG12 VAL 14 1.690 4.691 16.816 100 HG13 VAL 14 HG13 VAL 14 0.900 5.149 15.306 101 HG21 VAL 14 HG21 VAL 14 4.096 4.924 16.876 102 HG22 VAL 14 HG22 VAL 14 4.827 5.595 15.417 103 HG23 VAL 14 HG23 VAL 14 3.441 6.395 16.159 104 H ASP 15 H ASP 15 3.479 2.777 12.328 105 HA ASP 15 HA ASP 15 6.265 2.646 11.792 106 HB2 ASP 15 HB2 ASP 15 3.763 2.642 10.161 107 HB3 ASP 15 HB3 ASP 15 5.288 2.998 9.339 108 H VAL 16 H VAL 16 7.014 4.074 9.765 109 HA VAL 16 HA VAL 16 6.240 6.861 10.079 110 HB VAL 16 HB VAL 16 8.085 6.359 11.756 111 HG11 VAL 16 HG11 VAL 16 9.923 6.432 9.389 112 HG12 VAL 16 HG12 VAL 16 10.272 5.960 11.053 113 HG13 VAL 16 HG13 VAL 16 9.307 4.905 10.018 114 HG21 VAL 16 HG21 VAL 16 9.079 8.402 9.836 115 HG22 VAL 16 HG22 VAL 16 7.465 8.607 10.519 116 HG23 VAL 16 HG23 VAL 16 8.867 8.502 11.583 117 H THR 17 H THR 17 6.267 4.696 7.998 118 HA THR 17 HA THR 17 7.490 6.312 5.884 119 HB THR 17 HB THR 17 8.142 4.040 4.790 120 HG1 THR 17 HG1 THR 17 7.310 2.630 6.312 121 HG21 THR 17 HG21 THR 17 9.763 5.743 5.421 122 HG22 THR 17 HG22 THR 17 10.366 4.141 5.847 123 HG23 THR 17 HG23 THR 17 9.710 5.197 7.097 124 H ILE 18 H ILE 18 6.330 6.391 4.026 125 HA ILE 18 HA ILE 18 3.860 4.788 3.944 126 HB ILE 18 HB ILE 18 4.285 7.392 2.493 127 HG12 ILE 18 HG12 ILE 18 2.644 8.121 4.477 128 HG13 ILE 18 HG13 ILE 18 3.561 6.868 5.332 129 HG21 ILE 18 HG21 ILE 18 1.719 7.344 2.734 130 HG22 ILE 18 HG22 ILE 18 2.475 6.289 1.543 131 HG23 ILE 18 HG23 ILE 18 1.938 5.631 3.088 132 HD11 ILE 18 HD11 ILE 18 4.859 8.657 5.825 133 HD12 ILE 18 HD12 ILE 18 5.615 8.181 4.302 134 HD13 ILE 18 HD13 ILE 18 4.452 9.507 4.335 135 H GLU 19 H GLU 19 3.091 4.098 1.863 136 HA GLU 19 HA GLU 19 3.406 2.924 -0.069 137 HB2 GLU 19 HB2 GLU 19 5.120 5.346 -0.672 138 HB3 GLU 19 HB3 GLU 19 4.556 4.176 -1.874 139 HG2 GLU 19 HG2 GLU 19 2.305 5.100 -0.386 140 HG3 GLU 19 HG3 GLU 19 3.247 6.492 -0.933 141 H ASP 20 H ASP 20 4.576 1.263 1.107 142 HA ASP 20 HA ASP 20 7.329 1.023 0.125 143 HB2 ASP 20 HB2 ASP 20 6.581 1.397 2.862 144 HB3 ASP 20 HB3 ASP 20 7.212 -0.244 2.669 145 H SER 21 H SER 21 8.105 -1.348 0.753 146 HA SER 21 HA SER 21 5.988 -3.136 -0.230 147 HB2 SER 21 HB2 SER 21 9.004 -3.467 -0.321 148 HB3 SER 21 HB3 SER 21 7.818 -4.597 -1.000 149 HG SER 21 HG SER 21 8.412 -1.964 -1.837 150 H TYR 22 H TYR 22 5.001 -3.905 1.568 151 HA TYR 22 HA TYR 22 6.571 -4.808 3.838 152 HB2 TYR 22 HB2 TYR 22 3.960 -3.811 3.486 153 HB3 TYR 22 HB3 TYR 22 3.769 -5.489 3.996 154 HD1 TYR 22 HD2 TYR 22 5.374 -2.284 4.955 155 HD2 TYR 22 HD1 TYR 22 4.091 -6.133 6.237 156 HE1 TYR 22 HE2 TYR 22 5.800 -1.642 7.291 157 HE2 TYR 22 HE1 TYR 22 4.512 -5.500 8.576 158 HH TYR 22 HH TYR 22 4.899 -3.734 9.966 159 H SER 23 H SER 23 5.209 -6.952 4.779 160 HA SER 23 HA SER 23 5.059 -9.217 4.651 161 HB2 SER 23 HB2 SER 23 3.887 -8.231 2.243 162 HB3 SER 23 HB3 SER 23 4.821 -9.683 1.845 163 HG SER 23 HG SER 23 2.454 -9.524 3.065 164 H THR 24 H THR 24 6.003 -11.175 3.243 165 HA THR 24 HA THR 24 8.859 -10.559 2.906 166 HB THR 24 HB THR 24 8.715 -13.300 3.011 167 HG1 THR 24 HG1 THR 24 6.785 -12.221 4.815 168 HG21 THR 24 HG21 THR 24 10.343 -12.606 4.393 169 HG22 THR 24 HG22 THR 24 9.096 -12.609 5.639 170 HG23 THR 24 HG23 THR 24 9.492 -11.115 4.791 171 H GLU 25 H GLU 25 6.188 -12.417 1.494 172 HA GLU 25 HA GLU 25 7.687 -12.468 -1.044 173 HB2 GLU 25 HB2 GLU 25 5.767 -14.540 0.045 174 HB3 GLU 25 HB3 GLU 25 6.478 -14.571 -1.577 175 HG2 GLU 25 HG2 GLU 25 8.174 -14.532 0.906 176 HG3 GLU 25 HG3 GLU 25 7.551 -16.033 0.204 177 H SER 26 H SER 26 4.334 -13.096 -0.003 178 HA SER 26 HA SER 26 3.094 -12.211 -2.317 179 HB2 SER 26 HB2 SER 26 1.975 -11.984 0.494 180 HB3 SER 26 HB3 SER 26 1.049 -12.072 -1.015 181 HG SER 26 HG SER 26 1.554 -14.172 -1.238 182 H ALA 27 H ALA 27 2.296 -10.278 -3.042 183 HA ALA 27 HA ALA 27 3.059 -7.884 -1.500 184 HB1 ALA 27 HB1 ALA 27 3.749 -8.659 -4.199 185 HB2 ALA 27 HB2 ALA 27 2.941 -7.092 -4.157 186 HB3 ALA 27 HB3 ALA 27 4.397 -7.361 -3.197 187 H TRP 28 H TRP 28 1.751 -5.967 -1.920 188 HA TRP 28 HA TRP 28 -1.052 -6.704 -2.376 189 HB2 TRP 28 HB2 TRP 28 0.305 -4.506 -0.835 190 HB3 TRP 28 HB3 TRP 28 -1.372 -4.319 -1.349 191 HD1 TRP 28 HD1 TRP 28 0.569 -5.605 1.474 192 HE1 TRP 28 HE1 TRP 28 -0.888 -7.071 3.007 193 HE3 TRP 28 HE3 TRP 28 -3.439 -6.289 -1.626 194 HZ2 TRP 28 HZ2 TRP 28 -3.403 -8.349 2.915 195 HZ3 TRP 28 HZ3 TRP 28 -5.329 -7.647 -0.827 196 HH2 TRP 28 HH2 TRP 28 -5.309 -8.656 1.396 197 H VAL 29 H VAL 29 -2.196 -5.924 -4.043 198 HA VAL 29 HA VAL 29 -1.050 -3.717 -5.617 199 HB VAL 29 HB VAL 29 -0.572 -5.819 -6.784 200 HG11 VAL 29 HG11 VAL 29 -2.564 -7.060 -7.754 201 HG12 VAL 29 HG12 VAL 29 -2.252 -7.292 -6.033 202 HG13 VAL 29 HG13 VAL 29 -3.543 -6.212 -6.558 203 HG21 VAL 29 HG21 VAL 29 -1.104 -3.723 -8.028 204 HG22 VAL 29 HG22 VAL 29 -1.435 -5.201 -8.934 205 HG23 VAL 29 HG23 VAL 29 -2.762 -4.302 -8.196 206 H ARG 30 H ARG 30 -2.506 -2.307 -6.552 207 HA ARG 30 HA ARG 30 -5.291 -2.611 -5.651 208 HB2 ARG 30 HB2 ARG 30 -4.020 -0.657 -4.766 209 HB3 ARG 30 HB3 ARG 30 -3.847 -0.072 -6.428 210 HG2 ARG 30 HG2 ARG 30 -6.562 -0.479 -6.210 211 HG3 ARG 30 HG3 ARG 30 -6.105 0.127 -4.609 212 HD2 ARG 30 HD2 ARG 30 -6.660 2.022 -5.962 213 HD3 ARG 30 HD3 ARG 30 -4.906 2.004 -5.740 214 HE ARG 30 HE ARG 30 -5.658 0.655 -8.128 215 HH11 ARG 30 HH11 ARG 30 -5.212 3.814 -6.737 216 HH12 ARG 30 HH12 ARG 30 -4.868 4.577 -8.254 217 HH21 ARG 30 HH21 ARG 30 -5.208 1.648 -10.132 218 HH22 ARG 30 HH22 ARG 30 -4.868 3.344 -10.185 219 H CYS 31 H CYS 31 -6.973 -2.370 -7.072 220 HA CYS 31 HA CYS 31 -6.384 -2.840 -9.841 221 HB2 CYS 31 HB2 CYS 31 -8.275 -3.938 -8.700 222 HB3 CYS 31 HB3 CYS 31 -9.041 -2.365 -8.473 223 H ASP 32 H ASP 32 -6.690 -1.500 -11.576 224 HA ASP 32 HA ASP 32 -6.957 1.348 -10.942 225 HB2 ASP 32 HB2 ASP 32 -5.012 0.232 -12.332 226 HB3 ASP 32 HB3 ASP 32 -6.183 0.346 -13.653 227 H ASP 33 H ASP 33 -9.279 -0.348 -10.994 228 HA ASP 33 HA ASP 33 -10.788 1.066 -13.065 229 HB2 ASP 33 HB2 ASP 33 -10.275 -1.153 -13.999 230 HB3 ASP 33 HB3 ASP 33 -11.000 -1.914 -12.575 231 H CYS 34 H CYS 34 -10.876 -0.972 -10.172 232 HA CYS 34 HA CYS 34 -13.366 0.394 -9.380 233 HB2 CYS 34 HB2 CYS 34 -13.954 -1.582 -8.079 234 HB3 CYS 34 HB3 CYS 34 -13.695 -2.013 -9.770 235 H PHE 35 H PHE 35 -10.101 -0.009 -8.715 236 HA PHE 35 HA PHE 35 -8.742 0.683 -7.027 237 HB2 PHE 35 HB2 PHE 35 -11.194 2.164 -6.040 238 HB3 PHE 35 HB3 PHE 35 -9.520 2.496 -5.592 239 HD1 PHE 35 HD2 PHE 35 -7.903 3.227 -7.415 240 HD2 PHE 35 HD1 PHE 35 -12.130 3.210 -7.911 241 HE1 PHE 35 HE2 PHE 35 -7.685 4.799 -9.294 242 HE2 PHE 35 HE1 PHE 35 -11.919 4.782 -9.793 243 HZ PHE 35 HZ PHE 35 -9.695 5.580 -10.485 244 H LYS 36 H LYS 36 -9.029 -1.685 -6.462 245 HA LYS 36 HA LYS 36 -9.905 -1.858 -3.667 246 HB2 LYS 36 HB2 LYS 36 -11.396 -2.961 -5.644 247 HB3 LYS 36 HB3 LYS 36 -10.291 -4.298 -5.290 248 HG2 LYS 36 HG2 LYS 36 -12.046 -4.761 -3.876 249 HG3 LYS 36 HG3 LYS 36 -10.953 -3.851 -2.818 250 HD2 LYS 36 HD2 LYS 36 -12.229 -1.838 -3.090 251 HD3 LYS 36 HD3 LYS 36 -13.227 -2.592 -4.346 252 HE2 LYS 36 HE2 LYS 36 -13.778 -4.336 -2.465 253 HE3 LYS 36 HE3 LYS 36 -13.250 -3.031 -1.392 254 HZ1 LYS 36 HZ1 LYS 36 -15.171 -1.996 -1.673 255 HZ2 LYS 36 HZ2 LYS 36 -15.738 -3.329 -2.544 256 HZ3 LYS 36 HZ3 LYS 36 -15.025 -2.029 -3.358 257 H TRP 37 H TRP 37 -8.660 -3.152 -2.353 258 HA TRP 37 HA TRP 37 -5.989 -3.646 -3.220 259 HB2 TRP 37 HB2 TRP 37 -7.522 -3.935 -0.682 260 HB3 TRP 37 HB3 TRP 37 -6.058 -4.904 -0.851 261 HD1 TRP 37 HD1 TRP 37 -6.890 -1.899 0.754 262 HE1 TRP 37 HE1 TRP 37 -4.960 -0.198 0.812 263 HE3 TRP 37 HE3 TRP 37 -3.933 -3.899 -2.905 264 HZ2 TRP 37 HZ2 TRP 37 -2.508 0.239 -0.517 265 HZ3 TRP 37 HZ3 TRP 37 -1.812 -2.779 -3.452 266 HH2 TRP 37 HH2 TRP 37 -1.116 -0.752 -2.282 267 H ARG 38 H ARG 38 -4.934 -5.572 -3.589 268 HA ARG 38 HA ARG 38 -6.450 -8.060 -3.456 269 HB2 ARG 38 HB2 ARG 38 -6.376 -6.694 -5.823 270 HB3 ARG 38 HB3 ARG 38 -4.968 -7.756 -5.979 271 HG2 ARG 38 HG2 ARG 38 -6.519 -9.153 -6.850 272 HG3 ARG 38 HG3 ARG 38 -6.728 -9.564 -5.139 273 HD2 ARG 38 HD2 ARG 38 -8.527 -7.782 -5.043 274 HD3 ARG 38 HD3 ARG 38 -8.411 -7.708 -6.807 275 HE ARG 38 HE ARG 38 -8.790 -10.379 -6.087 276 HH11 ARG 38 HH11 ARG 38 -10.508 -7.352 -5.991 277 HH12 ARG 38 HH12 ARG 38 -12.072 -8.088 -6.107 278 HH21 ARG 38 HH21 ARG 38 -10.844 -11.358 -6.241 279 HH22 ARG 38 HH22 ARG 38 -12.262 -10.366 -6.248 280 H ARG 39 H ARG 39 -5.220 -9.600 -2.610 281 HA ARG 39 HA ARG 39 -2.369 -9.166 -2.329 282 HB2 ARG 39 HB2 ARG 39 -4.052 -10.095 -0.556 283 HB3 ARG 39 HB3 ARG 39 -3.785 -11.634 -1.389 284 HG2 ARG 39 HG2 ARG 39 -1.225 -10.820 -1.037 285 HG3 ARG 39 HG3 ARG 39 -2.007 -10.119 0.389 286 HD2 ARG 39 HD2 ARG 39 -3.099 -12.528 0.556 287 HD3 ARG 39 HD3 ARG 39 -1.665 -12.975 -0.377 288 HE ARG 39 HE ARG 39 -0.683 -11.486 1.688 289 HH11 ARG 39 HH11 ARG 39 -2.679 -14.327 1.433 290 HH12 ARG 39 HH12 ARG 39 -2.134 -15.002 2.933 291 HH21 ARG 39 HH21 ARG 39 0.041 -12.365 3.663 292 HH22 ARG 39 HH22 ARG 39 -0.588 -13.886 4.202 293 H ILE 40 H ILE 40 -0.923 -9.916 -3.720 294 HA ILE 40 HA ILE 40 -1.552 -12.364 -5.233 295 HB ILE 40 HB ILE 40 -0.575 -11.501 -7.213 296 HG12 ILE 40 HG12 ILE 40 0.244 -9.128 -5.522 297 HG13 ILE 40 HG13 ILE 40 1.316 -10.313 -6.288 298 HG21 ILE 40 HG21 ILE 40 -2.012 -9.635 -7.755 299 HG22 ILE 40 HG22 ILE 40 -2.887 -10.783 -6.743 300 HG23 ILE 40 HG23 ILE 40 -2.259 -9.292 -6.042 301 HD11 ILE 40 HD11 ILE 40 1.336 -8.247 -7.535 302 HD12 ILE 40 HD12 ILE 40 0.597 -9.528 -8.496 303 HD13 ILE 40 HD13 ILE 40 -0.416 -8.312 -7.719 304 HA PRO 41 HA PRO 41 2.317 -13.946 -3.885 305 HB2 PRO 41 HB2 PRO 41 2.981 -15.559 -5.995 306 HB3 PRO 41 HB3 PRO 41 1.697 -15.937 -4.848 307 HG2 PRO 41 HG2 PRO 41 1.511 -14.672 -7.562 308 HG3 PRO 41 HG3 PRO 41 0.503 -15.983 -6.842 309 HD2 PRO 41 HD2 PRO 41 -0.334 -13.405 -6.986 310 HD3 PRO 41 HD3 PRO 41 -0.776 -14.481 -5.649 311 H ALA 42 H ALA 42 4.578 -13.836 -4.209 312 HA ALA 42 HA ALA 42 5.481 -11.512 -5.550 313 HB1 ALA 42 HB1 ALA 42 6.456 -12.932 -3.511 314 HB2 ALA 42 HB2 ALA 42 7.456 -13.587 -4.807 315 HB3 ALA 42 HB3 ALA 42 7.454 -11.853 -4.486 316 H SER 43 H SER 43 4.831 -14.627 -6.671 317 HA SER 43 HA SER 43 6.843 -14.760 -8.711 318 HB2 SER 43 HB2 SER 43 4.987 -16.544 -7.581 319 HB3 SER 43 HB3 SER 43 4.509 -16.373 -9.279 320 HG SER 43 HG SER 43 7.121 -17.010 -8.366 321 H VAL 44 H VAL 44 3.487 -13.715 -8.523 322 HA VAL 44 HA VAL 44 3.431 -13.111 -11.376 323 HB VAL 44 HB VAL 44 1.456 -14.139 -10.195 324 HG11 VAL 44 HG11 VAL 44 0.003 -12.679 -8.899 325 HG12 VAL 44 HG12 VAL 44 1.592 -12.806 -8.141 326 HG13 VAL 44 HG13 VAL 44 1.163 -11.361 -9.057 327 HG21 VAL 44 HG21 VAL 44 -0.046 -12.068 -11.185 328 HG22 VAL 44 HG22 VAL 44 1.489 -11.869 -12.030 329 HG23 VAL 44 HG23 VAL 44 0.618 -13.399 -12.134 330 H VAL 45 H VAL 45 3.677 -11.512 -8.286 331 HA VAL 45 HA VAL 45 2.997 -8.906 -8.963 332 HB VAL 45 HB VAL 45 3.727 -9.949 -6.673 333 HG11 VAL 45 HG11 VAL 45 6.307 -8.603 -7.420 334 HG12 VAL 45 HG12 VAL 45 5.951 -9.583 -5.996 335 HG13 VAL 45 HG13 VAL 45 6.070 -10.343 -7.584 336 HG21 VAL 45 HG21 VAL 45 3.628 -7.237 -7.698 337 HG22 VAL 45 HG22 VAL 45 2.990 -7.899 -6.192 338 HG23 VAL 45 HG23 VAL 45 4.673 -7.378 -6.283 339 H GLY 46 H GLY 46 5.800 -10.763 -9.808 340 HA2 GLY 46 HA2 GLY 46 7.179 -8.363 -10.794 341 HA3 GLY 46 HA3 GLY 46 7.905 -9.949 -10.589 342 H SER 47 H SER 47 4.794 -9.770 -12.068 343 HA SER 47 HA SER 47 5.990 -9.962 -14.744 344 HB2 SER 47 HB2 SER 47 4.844 -12.128 -13.289 345 HB3 SER 47 HB3 SER 47 3.735 -11.719 -14.610 346 HG SER 47 HG SER 47 6.434 -12.523 -14.756 347 H ILE 48 H ILE 48 3.075 -9.503 -12.801 348 HA ILE 48 HA ILE 48 1.438 -8.602 -14.940 349 HB ILE 48 HB ILE 48 -0.042 -7.713 -13.143 350 HG12 ILE 48 HG12 ILE 48 1.114 -8.961 -10.885 351 HG13 ILE 48 HG13 ILE 48 2.383 -7.965 -11.617 352 HG21 ILE 48 HG21 ILE 48 0.874 -10.502 -13.385 353 HG22 ILE 48 HG22 ILE 48 -0.091 -10.131 -11.956 354 HG23 ILE 48 HG23 ILE 48 -0.741 -9.814 -13.564 355 HD11 ILE 48 HD11 ILE 48 -0.072 -7.156 -10.226 356 HD12 ILE 48 HD12 ILE 48 1.491 -6.346 -10.350 357 HD13 ILE 48 HD13 ILE 48 0.327 -6.225 -11.671 358 H ASP 49 H ASP 49 3.660 -7.027 -12.747 359 HA ASP 49 HA ASP 49 2.819 -4.363 -13.425 360 HB2 ASP 49 HB2 ASP 49 5.103 -5.525 -11.844 361 HB3 ASP 49 HB3 ASP 49 5.066 -3.804 -12.251 362 H GLU 50 H GLU 50 3.075 -5.256 -15.813 363 HA GLU 50 HA GLU 50 5.711 -5.213 -16.906 364 HB2 GLU 50 HB2 GLU 50 4.553 -5.172 -19.101 365 HB3 GLU 50 HB3 GLU 50 3.982 -6.464 -18.033 366 HG2 GLU 50 HG2 GLU 50 2.219 -4.537 -17.389 367 HG3 GLU 50 HG3 GLU 50 2.564 -4.100 -19.067 368 H SER 51 H SER 51 3.040 -2.885 -16.796 369 HA SER 51 HA SER 51 4.856 -0.824 -17.846 370 HB2 SER 51 HB2 SER 51 1.830 -0.946 -17.728 371 HB3 SER 51 HB3 SER 51 2.741 0.486 -18.238 372 HG SER 51 HG SER 51 2.536 -0.464 -20.126 373 H SER 52 H SER 52 1.969 -0.583 -15.799 374 HA SER 52 HA SER 52 3.217 0.010 -13.382 375 HB2 SER 52 HB2 SER 52 3.684 2.062 -15.181 376 HB3 SER 52 HB3 SER 52 2.284 2.642 -14.260 377 HG SER 52 HG SER 52 4.271 3.214 -13.266 378 H ARG 53 H ARG 53 0.892 -1.302 -14.411 379 HA ARG 53 HA ARG 53 -1.071 -0.178 -12.606 380 HB2 ARG 53 HB2 ARG 53 -2.832 0.095 -14.167 381 HB3 ARG 53 HB3 ARG 53 -1.434 0.938 -14.848 382 HG2 ARG 53 HG2 ARG 53 -1.140 -1.543 -15.940 383 HG3 ARG 53 HG3 ARG 53 -2.903 -1.379 -15.859 384 HD2 ARG 53 HD2 ARG 53 -1.921 1.100 -16.785 385 HD3 ARG 53 HD3 ARG 53 -1.052 -0.157 -17.676 386 HE ARG 53 HE ARG 53 -3.799 0.552 -17.963 387 HH11 ARG 53 HH11 ARG 53 -1.552 -2.098 -18.172 388 HH12 ARG 53 HH12 ARG 53 -2.508 -2.990 -19.309 389 HH21 ARG 53 HH21 ARG 53 -5.067 -0.612 -19.460 390 HH22 ARG 53 HH22 ARG 53 -4.507 -2.143 -20.042 391 H TRP 54 H TRP 54 -3.095 -1.624 -12.606 392 HA TRP 54 HA TRP 54 -2.810 -4.313 -13.524 393 HB2 TRP 54 HB2 TRP 54 -1.244 -4.530 -11.718 394 HB3 TRP 54 HB3 TRP 54 -2.338 -3.714 -10.602 395 HD1 TRP 54 HD1 TRP 54 -1.591 -7.121 -12.047 396 HE1 TRP 54 HE1 TRP 54 -3.114 -8.873 -10.934 397 HE3 TRP 54 HE3 TRP 54 -4.765 -3.976 -9.563 398 HZ2 TRP 54 HZ2 TRP 54 -5.363 -8.916 -9.230 399 HZ3 TRP 54 HZ3 TRP 54 -6.577 -4.953 -8.215 400 HH2 TRP 54 HH2 TRP 54 -6.869 -7.371 -8.053 401 H ILE 55 H ILE 55 -4.694 -5.532 -13.255 402 HA ILE 55 HA ILE 55 -6.936 -4.196 -11.907 403 HB ILE 55 HB ILE 55 -8.376 -5.078 -13.854 404 HG12 ILE 55 HG12 ILE 55 -5.636 -5.004 -15.141 405 HG13 ILE 55 HG13 ILE 55 -6.683 -6.422 -14.962 406 HG21 ILE 55 HG21 ILE 55 -8.086 -3.004 -15.089 407 HG22 ILE 55 HG22 ILE 55 -7.994 -2.708 -13.354 408 HG23 ILE 55 HG23 ILE 55 -6.520 -2.748 -14.321 409 HD11 ILE 55 HD11 ILE 55 -6.688 -4.370 -17.008 410 HD12 ILE 55 HD12 ILE 55 -7.391 -5.987 -17.019 411 HD13 ILE 55 HD13 ILE 55 -8.285 -4.642 -16.311 412 H CYS 56 H CYS 56 -8.814 -5.667 -11.587 413 HA CYS 56 HA CYS 56 -8.084 -7.983 -10.236 414 HB2 CYS 56 HB2 CYS 56 -10.775 -7.381 -11.488 415 HB3 CYS 56 HB3 CYS 56 -10.469 -8.520 -10.175 416 H MET 57 H MET 57 -9.523 -7.671 -13.478 417 HA MET 57 HA MET 57 -9.592 -10.396 -14.097 418 HB2 MET 57 HB2 MET 57 -9.620 -9.646 -16.480 419 HB3 MET 57 HB3 MET 57 -10.805 -8.828 -15.451 420 HG2 MET 57 HG2 MET 57 -8.561 -7.199 -15.304 421 HG3 MET 57 HG3 MET 57 -8.615 -7.729 -16.987 422 HE1 MET 57 HE1 MET 57 -10.155 -5.944 -14.124 423 HE2 MET 57 HE2 MET 57 -11.486 -4.991 -14.781 424 HE3 MET 57 HE3 MET 57 -11.722 -6.700 -14.414 425 H ASN 58 H ASN 58 -6.947 -8.223 -13.880 426 HA ASN 58 HA ASN 58 -5.193 -9.834 -15.541 427 HB2 ASN 58 HB2 ASN 58 -5.031 -7.203 -14.164 428 HB3 ASN 58 HB3 ASN 58 -3.513 -8.084 -14.373 429 HD21 ASN 58 HD21 ASN 58 -6.351 -7.932 -16.472 430 HD22 ASN 58 HD22 ASN 58 -5.522 -7.281 -17.841 431 H ASN 59 H ASN 59 -6.309 -9.930 -12.394 432 HA ASN 59 HA ASN 59 -4.106 -10.570 -10.843 433 HB2 ASN 59 HB2 ASN 59 -6.534 -10.280 -10.113 434 HB3 ASN 59 HB3 ASN 59 -6.772 -11.962 -10.596 435 HD21 ASN 59 HD21 ASN 59 -7.363 -12.187 -8.317 436 HD22 ASN 59 HD22 ASN 59 -6.110 -12.486 -7.165 437 H SER 60 H SER 60 -3.067 -12.493 -10.297 438 HA SER 60 HA SER 60 -2.656 -14.314 -12.423 439 HB2 SER 60 HB2 SER 60 -1.232 -13.613 -10.206 440 HB3 SER 60 HB3 SER 60 -1.851 -15.201 -9.724 441 HG SER 60 HG SER 60 -0.026 -15.679 -10.796 442 H ASP 61 H ASP 61 -4.808 -14.282 -9.709 443 HA ASP 61 HA ASP 61 -5.380 -17.079 -9.686 444 HB2 ASP 61 HB2 ASP 61 -5.960 -14.901 -8.044 445 HB3 ASP 61 HB3 ASP 61 -7.532 -15.399 -8.683 446 H LYS 62 H LYS 62 -8.085 -17.317 -9.715 447 HA LYS 62 HA LYS 62 -8.909 -16.420 -12.393 448 HB2 LYS 62 HB2 LYS 62 -9.524 -19.176 -11.330 449 HB3 LYS 62 HB3 LYS 62 -9.704 -18.573 -12.986 450 HG2 LYS 62 HG2 LYS 62 -7.793 -19.733 -13.300 451 HG3 LYS 62 HG3 LYS 62 -7.071 -18.228 -12.700 452 HD2 LYS 62 HD2 LYS 62 -6.054 -20.044 -11.516 453 HD3 LYS 62 HD3 LYS 62 -7.138 -19.200 -10.397 454 HE2 LYS 62 HE2 LYS 62 -8.535 -20.966 -10.191 455 HE3 LYS 62 HE3 LYS 62 -8.378 -21.402 -11.899 456 HZ1 LYS 62 HZ1 LYS 62 -7.107 -23.069 -11.212 457 HZ2 LYS 62 HZ2 LYS 62 -7.004 -22.460 -9.638 458 HZ3 LYS 62 HZ3 LYS 62 -5.917 -21.932 -10.822 459 H ARG 63 H ARG 63 -10.061 -18.008 -9.418 460 HA ARG 63 HA ARG 63 -12.774 -17.269 -9.805 461 HB2 ARG 63 HB2 ARG 63 -11.205 -18.716 -7.847 462 HB3 ARG 63 HB3 ARG 63 -12.388 -17.659 -7.059 463 HG2 ARG 63 HG2 ARG 63 -13.678 -19.513 -7.298 464 HG3 ARG 63 HG3 ARG 63 -14.007 -18.735 -8.855 465 HD2 ARG 63 HD2 ARG 63 -11.637 -20.280 -9.157 466 HD3 ARG 63 HD3 ARG 63 -12.846 -21.285 -8.346 467 HE ARG 63 HE ARG 63 -14.125 -20.047 -10.476 468 HH11 ARG 63 HH11 ARG 63 -11.527 -22.308 -9.968 469 HH12 ARG 63 HH12 ARG 63 -11.770 -23.127 -11.475 470 HH21 ARG 63 HH21 ARG 63 -14.456 -21.117 -12.464 471 HH22 ARG 63 HH22 ARG 63 -13.437 -22.448 -12.895 472 H PHE 64 H PHE 64 -10.029 -15.604 -8.602 473 HA PHE 64 HA PHE 64 -11.766 -13.439 -7.611 474 HB2 PHE 64 HB2 PHE 64 -9.163 -14.516 -6.585 475 HB3 PHE 64 HB3 PHE 64 -9.544 -12.810 -6.342 476 HD1 PHE 64 HD1 PHE 64 -11.383 -16.047 -6.038 477 HD2 PHE 64 HD2 PHE 64 -10.407 -12.290 -4.291 478 HE1 PHE 64 HE1 PHE 64 -12.748 -16.611 -4.070 479 HE2 PHE 64 HE2 PHE 64 -11.769 -12.849 -2.320 480 HZ PHE 64 HZ PHE 64 -12.941 -15.012 -2.207 481 H ALA 65 H ALA 65 -10.584 -14.056 -10.320 482 HA ALA 65 HA ALA 65 -8.943 -11.639 -10.673 483 HB1 ALA 65 HB1 ALA 65 -9.253 -13.683 -12.820 484 HB2 ALA 65 HB2 ALA 65 -7.886 -12.630 -12.454 485 HB3 ALA 65 HB3 ALA 65 -8.215 -14.034 -11.438 486 H ASP 66 H ASP 66 -11.103 -10.515 -10.440 487 HA ASP 66 HA ASP 66 -11.955 -9.584 -12.953 488 HB2 ASP 66 HB2 ASP 66 -13.451 -11.853 -11.821 489 HB3 ASP 66 HB3 ASP 66 -14.458 -10.467 -12.266 490 H CYS 67 H CYS 67 -13.125 -7.704 -12.781 491 HA CYS 67 HA CYS 67 -13.067 -6.364 -10.297 492 HB2 CYS 67 HB2 CYS 67 -13.993 -5.772 -13.046 493 HB3 CYS 67 HB3 CYS 67 -14.766 -4.839 -11.764 494 H SER 68 H SER 68 -15.441 -8.350 -11.829 495 HA SER 68 HA SER 68 -17.743 -7.398 -10.490 496 HB2 SER 68 HB2 SER 68 -17.218 -9.286 -12.456 497 HB3 SER 68 HB3 SER 68 -17.791 -10.257 -11.088 498 HG SER 68 HG SER 68 -19.175 -8.536 -12.700 499 H LYS 69 H LYS 69 -15.188 -9.582 -9.584 500 HA LYS 69 HA LYS 69 -16.532 -10.781 -7.375 501 HB2 LYS 69 HB2 LYS 69 -13.542 -10.495 -7.711 502 HB3 LYS 69 HB3 LYS 69 -14.421 -11.742 -6.812 503 HG2 LYS 69 HG2 LYS 69 -14.432 -11.388 -9.811 504 HG3 LYS 69 HG3 LYS 69 -13.542 -12.622 -8.900 505 HD2 LYS 69 HD2 LYS 69 -15.361 -13.889 -9.353 506 HD3 LYS 69 HD3 LYS 69 -16.024 -13.045 -7.942 507 HE2 LYS 69 HE2 LYS 69 -17.439 -11.765 -9.184 508 HE3 LYS 69 HE3 LYS 69 -16.315 -11.677 -10.548 509 HZ1 LYS 69 HZ1 LYS 69 -18.516 -13.096 -10.649 510 HZ2 LYS 69 HZ2 LYS 69 -17.515 -14.277 -9.967 511 HZ3 LYS 69 HZ3 LYS 69 -17.110 -13.582 -11.454 512 H SER 70 H SER 70 -15.973 -10.486 -5.115 513 HA SER 70 HA SER 70 -15.823 -7.674 -4.445 514 HB2 SER 70 HB2 SER 70 -16.250 -10.163 -2.770 515 HB3 SER 70 HB3 SER 70 -16.203 -8.524 -2.099 516 HG SER 70 HG SER 70 -18.299 -8.756 -2.501 517 H GLN 71 H GLN 71 -14.572 -7.456 -2.123 518 HA GLN 71 HA GLN 71 -11.816 -7.560 -2.841 519 HB2 GLN 71 HB2 GLN 71 -12.967 -5.802 -1.400 520 HB3 GLN 71 HB3 GLN 71 -12.908 -6.991 -0.090 521 HG2 GLN 71 HG2 GLN 71 -10.582 -6.939 0.042 522 HG3 GLN 71 HG3 GLN 71 -10.424 -6.209 -1.560 523 HE21 GLN 71 HE21 GLN 71 -8.985 -4.939 0.099 524 HE22 GLN 71 HE22 GLN 71 -9.705 -3.485 0.694 525 H GLU 72 H GLU 72 -10.133 -8.494 -1.395 526 HA GLU 72 HA GLU 72 -10.850 -11.250 -0.761 527 HB2 GLU 72 HB2 GLU 72 -8.090 -10.024 -0.732 528 HB3 GLU 72 HB3 GLU 72 -8.517 -11.740 -0.838 529 HG2 GLU 72 HG2 GLU 72 -9.784 -10.657 -3.030 530 HG3 GLU 72 HG3 GLU 72 -8.271 -9.744 -2.937 531 H MET 73 H MET 73 -9.432 -8.393 0.761 532 HA MET 73 HA MET 73 -10.005 -9.601 3.378 533 HB2 MET 73 HB2 MET 73 -7.478 -8.224 2.481 534 HB3 MET 73 HB3 MET 73 -7.922 -8.336 4.191 535 HG2 MET 73 HG2 MET 73 -8.201 -10.928 3.423 536 HG3 MET 73 HG3 MET 73 -6.887 -10.389 2.373 537 HE1 MET 73 HE1 MET 73 -4.315 -8.963 4.752 538 HE2 MET 73 HE2 MET 73 -5.482 -8.392 3.560 539 HE3 MET 73 HE3 MET 73 -5.765 -8.110 5.280 540 H SER 74 H SER 74 -10.058 -7.929 5.142 541 HA SER 74 HA SER 74 -11.713 -5.732 4.267 542 HB2 SER 74 HB2 SER 74 -10.893 -6.816 6.960 543 HB3 SER 74 HB3 SER 74 -11.748 -5.270 6.811 544 HG SER 74 HG SER 74 -13.246 -6.926 7.092 545 H ASN 75 H ASN 75 -11.321 -3.529 4.655 546 HA ASN 75 HA ASN 75 -8.818 -2.561 4.030 547 HB2 ASN 75 HB2 ASN 75 -11.215 -1.330 5.360 548 HB3 ASN 75 HB3 ASN 75 -9.723 -0.396 5.195 549 HD21 ASN 75 HD21 ASN 75 -8.762 -1.039 2.797 550 HD22 ASN 75 HD22 ASN 75 -9.873 -0.614 1.544 551 H GLU 76 H GLU 76 -10.200 -3.209 7.204 552 HA GLU 76 HA GLU 76 -8.202 -1.974 8.753 553 HB2 GLU 76 HB2 GLU 76 -8.990 -3.495 10.576 554 HB3 GLU 76 HB3 GLU 76 -10.279 -2.573 9.784 555 HG2 GLU 76 HG2 GLU 76 -11.329 -4.552 9.727 556 HG3 GLU 76 HG3 GLU 76 -10.323 -4.814 8.296 557 H GLU 77 H GLU 77 -8.565 -5.338 7.663 558 HA GLU 77 HA GLU 77 -6.251 -6.346 8.887 559 HB2 GLU 77 HB2 GLU 77 -7.590 -7.265 6.331 560 HB3 GLU 77 HB3 GLU 77 -6.432 -8.203 7.287 561 HG2 GLU 77 HG2 GLU 77 -8.216 -7.708 9.206 562 HG3 GLU 77 HG3 GLU 77 -9.286 -7.626 7.800 563 H ILE 78 H ILE 78 -6.764 -4.969 5.664 564 HA ILE 78 HA ILE 78 -4.131 -5.401 4.724 565 HB ILE 78 HB ILE 78 -6.047 -3.244 3.835 566 HG12 ILE 78 HG12 ILE 78 -5.713 -6.028 2.699 567 HG13 ILE 78 HG13 ILE 78 -7.003 -5.577 3.826 568 HG21 ILE 78 HG21 ILE 78 -3.942 -2.777 2.914 569 HG22 ILE 78 HG22 ILE 78 -3.600 -4.480 2.616 570 HG23 ILE 78 HG23 ILE 78 -4.807 -3.640 1.643 571 HD11 ILE 78 HD11 ILE 78 -8.248 -4.883 2.143 572 HD12 ILE 78 HD12 ILE 78 -7.015 -3.699 1.706 573 HD13 ILE 78 HD13 ILE 78 -6.967 -5.319 1.012 574 H ASN 79 H ASN 79 -5.699 -2.613 6.256 575 HA ASN 79 HA ASN 79 -3.559 -0.819 6.062 576 HB2 ASN 79 HB2 ASN 79 -5.289 0.412 6.800 577 HB3 ASN 79 HB3 ASN 79 -6.074 -0.989 7.542 578 HD21 ASN 79 HD21 ASN 79 -5.607 -1.535 9.675 579 HD22 ASN 79 HD22 ASN 79 -4.859 -0.419 10.760 580 H GLU 80 H GLU 80 -4.372 -3.193 8.561 581 HA GLU 80 HA GLU 80 -2.167 -2.475 10.244 582 HB2 GLU 80 HB2 GLU 80 -2.814 -4.326 11.625 583 HB3 GLU 80 HB3 GLU 80 -4.284 -3.501 11.081 584 HG2 GLU 80 HG2 GLU 80 -4.753 -5.202 9.476 585 HG3 GLU 80 HG3 GLU 80 -3.181 -5.963 9.756 586 H GLU 81 H GLU 81 -2.698 -4.712 7.634 587 HA GLU 81 HA GLU 81 -0.514 -6.437 8.112 588 HB2 GLU 81 HB2 GLU 81 -2.362 -7.014 6.604 589 HB3 GLU 81 HB3 GLU 81 -1.855 -5.728 5.497 590 HG2 GLU 81 HG2 GLU 81 -1.139 -7.938 4.728 591 HG3 GLU 81 HG3 GLU 81 0.228 -6.867 5.061 592 H LEU 82 H LEU 82 -0.847 -3.660 5.905 593 HA LEU 82 HA LEU 82 1.984 -3.673 5.328 594 HB2 LEU 82 HB2 LEU 82 -0.141 -1.663 4.566 595 HB3 LEU 82 HB3 LEU 82 1.497 -1.767 3.898 596 HG LEU 82 HG LEU 82 0.241 -4.283 3.503 597 HD11 LEU 82 HD11 LEU 82 -1.563 -1.990 3.252 598 HD12 LEU 82 HD12 LEU 82 -1.921 -3.713 3.371 599 HD13 LEU 82 HD13 LEU 82 -1.472 -3.011 1.817 600 HD21 LEU 82 HD21 LEU 82 1.479 -2.118 1.937 601 HD22 LEU 82 HD22 LEU 82 0.366 -3.161 1.052 602 HD23 LEU 82 HD23 LEU 82 1.753 -3.860 1.887 603 H GLY 83 H GLY 83 -0.220 -1.986 7.430 604 HA2 GLY 83 HA2 GLY 83 0.333 -0.749 9.324 605 HA3 GLY 83 HA3 GLY 83 2.016 -0.787 8.826 606 H ILE 84 H ILE 84 -0.718 0.315 6.888 607 HA ILE 84 HA ILE 84 0.557 2.959 6.749 608 HB ILE 84 HB ILE 84 -0.760 3.311 4.702 609 HG12 ILE 84 HG12 ILE 84 -1.606 0.426 5.059 610 HG13 ILE 84 HG13 ILE 84 -2.655 1.826 5.336 611 HG21 ILE 84 HG21 ILE 84 0.461 0.721 4.080 612 HG22 ILE 84 HG22 ILE 84 0.815 2.327 3.445 613 HG23 ILE 84 HG23 ILE 84 1.495 1.821 4.992 614 HD11 ILE 84 HD11 ILE 84 -1.378 1.765 2.699 615 HD12 ILE 84 HD12 ILE 84 -2.525 0.461 3.011 616 HD13 ILE 84 HD13 ILE 84 -3.039 2.142 3.154 617 H GLY 85 H GLY 85 -1.356 4.621 6.001 618 HA2 GLY 85 HA2 GLY 85 -3.309 4.494 8.213 619 HA3 GLY 85 HA3 GLY 85 -2.632 5.984 7.579 620 H GLN 86 H GLN 86 -4.434 3.138 6.411 621 HA GLN 86 HA GLN 86 -5.537 4.331 4.151 622 HB2 GLN 86 HB2 GLN 86 -5.994 1.924 5.735 623 HB3 GLN 86 HB3 GLN 86 -7.484 2.553 5.011 624 HG2 GLN 86 HG2 GLN 86 -6.723 2.267 2.839 625 HG3 GLN 86 HG3 GLN 86 -5.027 2.215 3.346 626 HE21 GLN 86 HE21 GLN 86 -4.414 0.287 2.564 627 HE22 GLN 86 HE22 GLN 86 -5.116 -1.225 3.015 628 H ASP 87 H ASP 87 -8.080 4.493 3.968 629 HA ASP 87 HA ASP 87 -8.816 6.750 5.576 630 HB2 ASP 87 HB2 ASP 87 -9.383 6.290 3.089 631 HB3 ASP 87 HB3 ASP 87 -10.691 5.288 3.734 632 H GLU 88 H GLU 88 -8.809 5.756 7.678 633 HA GLU 88 HA GLU 88 -10.299 3.580 8.495 634 HB2 GLU 88 HB2 GLU 88 -8.704 4.677 9.959 635 HB3 GLU 88 HB3 GLU 88 -9.712 6.132 10.004 636 HG2 GLU 88 HG2 GLU 88 -11.193 5.254 11.477 637 HG3 GLU 88 HG3 GLU 88 -10.982 3.606 10.865 638 H ALA 89 H ALA 89 -11.329 6.908 7.983 639 HA ALA 89 HA ALA 89 -13.389 7.857 7.789 640 HB1 ALA 89 HB1 ALA 89 -14.527 5.080 7.610 641 HB2 ALA 89 HB2 ALA 89 -15.169 6.572 6.923 642 HB3 ALA 89 HB3 ALA 89 -13.694 5.860 6.265 643 H ASP 90 H ASP 90 -15.860 7.312 8.720 644 HA ASP 90 HA ASP 90 -15.640 7.837 11.478 645 HB2 ASP 90 HB2 ASP 90 -18.022 7.008 9.801 646 HB3 ASP 90 HB3 ASP 90 -18.132 7.540 11.486 647 H ALA 91 H ALA 91 -16.300 4.891 9.672 648 HA ALA 91 HA ALA 91 -16.295 2.697 10.279 649 HB1 ALA 91 HB1 ALA 91 -15.160 3.406 12.954 650 HB2 ALA 91 HB2 ALA 91 -14.842 1.998 11.940 651 HB3 ALA 91 HB3 ALA 91 -14.183 3.574 11.495 652 H TYR 92 H TYR 92 -18.378 4.771 11.270 653 HA TYR 92 HA TYR 92 -19.494 3.926 13.676 654 HB2 TYR 92 HB2 TYR 92 -21.468 5.075 13.042 655 HB3 TYR 92 HB3 TYR 92 -20.131 5.963 12.308 656 HD1 TYR 92 HD2 TYR 92 -22.978 3.746 11.620 657 HD2 TYR 92 HD1 TYR 92 -19.830 6.046 9.918 658 HE1 TYR 92 HE2 TYR 92 -24.031 3.539 9.407 659 HE2 TYR 92 HE1 TYR 92 -20.875 5.847 7.700 660 HH TYR 92 HH TYR 92 -23.982 4.955 7.206 661 H ASP 93 H ASP 93 -19.509 2.435 10.561 662 HA ASP 93 HA ASP 93 -21.775 0.857 10.630 663 HB2 ASP 93 HB2 ASP 93 -20.317 -0.831 9.329 664 HB3 ASP 93 HB3 ASP 93 -20.548 0.780 8.636 665 H CYS 94 H CYS 94 -22.004 -1.447 11.111 666 HA CYS 94 HA CYS 94 -21.033 -2.030 13.756 667 HB2 CYS 94 HB2 CYS 94 -22.512 -3.917 13.716 668 HB3 CYS 94 HB3 CYS 94 -23.359 -2.546 12.995 669 H ASP 95 H ASP 95 -20.136 -2.836 10.537 670 HA ASP 95 HA ASP 95 -18.846 -5.303 11.004 671 HB2 ASP 95 HB2 ASP 95 -17.729 -4.937 8.873 672 HB3 ASP 95 HB3 ASP 95 -19.431 -4.471 8.750 673 H ALA 96 H ALA 96 -17.938 -2.024 11.634 674 HA ALA 96 HA ALA 96 -15.144 -2.293 11.731 675 HB1 ALA 96 HB1 ALA 96 -15.845 -0.098 11.752 676 HB2 ALA 96 HB2 ALA 96 -17.099 -0.397 12.956 677 HB3 ALA 96 HB3 ALA 96 -15.404 -0.345 13.441 678 H ALA 97 H ALA 97 -17.638 -3.273 13.935 679 HA ALA 97 HA ALA 97 -16.234 -3.427 16.333 680 HB1 ALA 97 HB1 ALA 97 -18.517 -5.021 15.221 681 HB2 ALA 97 HB2 ALA 97 -17.844 -5.364 16.814 682 HB3 ALA 97 HB3 ALA 97 -18.536 -3.779 16.473 683 H LYS 98 H LYS 98 -16.211 -5.553 13.548 684 HA LYS 98 HA LYS 98 -14.744 -7.647 14.865 685 HB2 LYS 98 HB2 LYS 98 -15.065 -7.225 11.889 686 HB3 LYS 98 HB3 LYS 98 -14.704 -8.738 12.734 687 HG2 LYS 98 HG2 LYS 98 -17.299 -7.199 12.839 688 HG3 LYS 98 HG3 LYS 98 -17.000 -8.734 12.005 689 HD2 LYS 98 HD2 LYS 98 -16.804 -8.285 14.992 690 HD3 LYS 98 HD3 LYS 98 -18.145 -9.079 14.146 691 HE2 LYS 98 HE2 LYS 98 -16.050 -10.517 13.195 692 HE3 LYS 98 HE3 LYS 98 -15.456 -10.090 14.807 693 HZ1 LYS 98 HZ1 LYS 98 -17.591 -11.886 14.051 694 HZ2 LYS 98 HZ2 LYS 98 -17.963 -10.869 15.349 695 HZ3 LYS 98 HZ3 LYS 98 -16.613 -11.886 15.431 696 H ARG 99 H ARG 99 -13.178 -5.828 15.600 697 HA ARG 99 HA ARG 99 -11.344 -4.606 13.951 698 HB2 ARG 99 HB2 ARG 99 -9.737 -4.889 15.946 699 HB3 ARG 99 HB3 ARG 99 -11.241 -3.991 16.202 700 HG2 ARG 99 HG2 ARG 99 -11.682 -5.315 17.922 701 HG3 ARG 99 HG3 ARG 99 -11.866 -6.653 16.777 702 HD2 ARG 99 HD2 ARG 99 -9.722 -7.451 17.133 703 HD3 ARG 99 HD3 ARG 99 -9.131 -5.877 17.682 704 HE ARG 99 HE ARG 99 -10.279 -7.930 19.296 705 HH11 ARG 99 HH11 ARG 99 -9.908 -4.482 18.986 706 HH12 ARG 99 HH12 ARG 99 -10.082 -4.179 20.684 707 HH21 ARG 99 HH21 ARG 99 -10.509 -7.544 21.533 708 HH22 ARG 99 HH22 ARG 99 -10.423 -5.923 22.131 709 H GLY 100 H GLY 100 -10.926 -7.769 15.558 710 HA2 GLY 100 HA2 GLY 100 -9.547 -9.539 15.062 711 HA3 GLY 100 HA3 GLY 100 -9.916 -9.152 13.389 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -21.948 41.969 27.577 2 HA2 GLY 1 HA2 GLY 1 -24.078 42.449 29.435 3 HA3 GLY 1 HA3 GLY 1 -24.556 41.344 28.154 4 H SER 2 H SER 2 -23.497 39.319 27.970 5 HA SER 2 HA SER 2 -21.463 38.455 29.730 6 HB2 SER 2 HB2 SER 2 -23.176 36.757 30.883 7 HB3 SER 2 HB3 SER 2 -22.817 38.348 31.580 8 HG SER 2 HG SER 2 -25.165 37.444 30.869 9 H ARG 3 H ARG 3 -20.826 37.750 27.608 10 HA ARG 3 HA ARG 3 -21.771 35.060 27.044 11 HB2 ARG 3 HB2 ARG 3 -21.901 37.324 25.049 12 HB3 ARG 3 HB3 ARG 3 -21.901 35.621 24.570 13 HG2 ARG 3 HG2 ARG 3 -23.910 35.410 26.205 14 HG3 ARG 3 HG3 ARG 3 -24.003 37.170 26.017 15 HD2 ARG 3 HD2 ARG 3 -23.757 35.532 23.540 16 HD3 ARG 3 HD3 ARG 3 -25.300 35.497 24.406 17 HE ARG 3 HE ARG 3 -24.208 37.690 22.904 18 HH11 ARG 3 HH11 ARG 3 -26.393 36.773 25.454 19 HH12 ARG 3 HH12 ARG 3 -27.380 38.189 25.295 20 HH21 ARG 3 HH21 ARG 3 -25.500 39.558 22.685 21 HH22 ARG 3 HH22 ARG 3 -26.871 39.771 23.718 22 H ARG 4 H ARG 4 -20.117 33.761 26.565 23 HA ARG 4 HA ARG 4 -17.763 34.774 25.210 24 HB2 ARG 4 HB2 ARG 4 -16.266 33.762 27.005 25 HB3 ARG 4 HB3 ARG 4 -17.055 35.298 27.399 26 HG2 ARG 4 HG2 ARG 4 -18.369 34.391 29.010 27 HG3 ARG 4 HG3 ARG 4 -18.477 32.827 28.184 28 HD2 ARG 4 HD2 ARG 4 -15.767 33.131 28.863 29 HD3 ARG 4 HD3 ARG 4 -16.688 33.667 30.277 30 HE ARG 4 HE ARG 4 -17.812 31.271 29.424 31 HH11 ARG 4 HH11 ARG 4 -14.784 32.422 30.700 32 HH12 ARG 4 HH12 ARG 4 -14.387 30.920 31.468 33 HH21 ARG 4 HH21 ARG 4 -17.300 29.289 30.431 34 HH22 ARG 4 HH22 ARG 4 -15.818 29.139 31.313 35 H ALA 5 H ALA 5 -16.328 33.080 24.498 36 HA ALA 5 HA ALA 5 -17.714 30.494 24.266 37 HB1 ALA 5 HB1 ALA 5 -15.909 30.325 22.316 38 HB2 ALA 5 HB2 ALA 5 -17.476 31.103 22.091 39 HB3 ALA 5 HB3 ALA 5 -16.042 32.081 22.404 40 H SER 6 H SER 6 -15.926 28.725 23.637 41 HA SER 6 HA SER 6 -13.484 28.934 25.144 42 HB2 SER 6 HB2 SER 6 -13.955 27.667 26.978 43 HB3 SER 6 HB3 SER 6 -15.599 28.258 26.678 44 HG SER 6 HG SER 6 -15.444 25.946 26.939 45 H VAL 7 H VAL 7 -12.136 27.015 24.932 46 HA VAL 7 HA VAL 7 -12.975 25.014 22.998 47 HB VAL 7 HB VAL 7 -10.929 25.383 21.598 48 HG11 VAL 7 HG11 VAL 7 -11.896 27.191 20.283 49 HG12 VAL 7 HG12 VAL 7 -13.155 26.099 20.866 50 HG13 VAL 7 HG13 VAL 7 -12.907 27.660 21.650 51 HG21 VAL 7 HG21 VAL 7 -9.464 27.041 21.970 52 HG22 VAL 7 HG22 VAL 7 -10.729 28.202 22.376 53 HG23 VAL 7 HG23 VAL 7 -10.148 27.067 23.596 54 H GLY 8 H GLY 8 -10.927 23.551 22.517 55 HA2 GLY 8 HA2 GLY 8 -8.752 23.222 24.072 56 HA3 GLY 8 HA3 GLY 8 -10.038 22.646 25.122 57 H SER 9 H SER 9 -7.786 21.180 23.965 58 HA SER 9 HA SER 9 -9.131 18.811 23.252 59 HB2 SER 9 HB2 SER 9 -9.209 20.376 21.116 60 HB3 SER 9 HB3 SER 9 -7.549 19.788 20.909 61 HG SER 9 HG SER 9 -9.674 18.555 20.142 62 H GLU 10 H GLU 10 -7.378 17.259 22.103 63 HA GLU 10 HA GLU 10 -4.684 17.781 23.026 64 HB2 GLU 10 HB2 GLU 10 -6.532 15.855 24.363 65 HB3 GLU 10 HB3 GLU 10 -4.831 15.397 24.181 66 HG2 GLU 10 HG2 GLU 10 -4.494 17.861 25.172 67 HG3 GLU 10 HG3 GLU 10 -6.065 17.468 25.886 68 H PHE 11 H PHE 11 -3.255 15.817 22.546 69 HA PHE 11 HA PHE 11 -4.198 14.029 20.494 70 HB2 PHE 11 HB2 PHE 11 -2.849 14.788 18.692 71 HB3 PHE 11 HB3 PHE 11 -3.705 16.207 19.299 72 HD1 PHE 11 HD2 PHE 11 -2.462 17.687 21.009 73 HD2 PHE 11 HD1 PHE 11 -0.537 14.871 18.464 74 HE1 PHE 11 HE2 PHE 11 -0.330 18.876 21.311 75 HE2 PHE 11 HE1 PHE 11 1.599 16.055 18.762 76 HZ PHE 11 HZ PHE 11 1.704 18.061 20.187 77 H MET 12 H MET 12 -2.157 12.834 19.534 78 HA MET 12 HA MET 12 0.052 12.610 21.378 79 HB2 MET 12 HB2 MET 12 -0.295 10.374 22.082 80 HB3 MET 12 HB3 MET 12 -1.822 11.223 22.370 81 HG2 MET 12 HG2 MET 12 -2.320 10.295 19.907 82 HG3 MET 12 HG3 MET 12 -1.185 9.061 20.464 83 HE1 MET 12 HE1 MET 12 -2.450 7.859 23.654 84 HE2 MET 12 HE2 MET 12 -2.626 6.771 22.276 85 HE3 MET 12 HE3 MET 12 -1.236 7.855 22.372 86 H VAL 13 H VAL 13 1.128 10.233 20.632 87 HA VAL 13 HA VAL 13 1.141 10.121 17.716 88 HB VAL 13 HB VAL 13 3.633 10.200 17.661 89 HG11 VAL 13 HG11 VAL 13 3.653 12.444 17.292 90 HG12 VAL 13 HG12 VAL 13 1.908 12.208 17.411 91 HG13 VAL 13 HG13 VAL 13 2.814 12.813 18.798 92 HG21 VAL 13 HG21 VAL 13 3.649 11.584 20.291 93 HG22 VAL 13 HG22 VAL 13 3.627 9.820 20.278 94 HG23 VAL 13 HG23 VAL 13 4.933 10.692 19.475 95 H VAL 14 H VAL 14 2.791 8.354 17.011 96 HA VAL 14 HA VAL 14 3.107 6.210 18.943 97 HB VAL 14 HB VAL 14 2.000 4.556 17.392 98 HG11 VAL 14 HG11 VAL 14 -0.114 4.814 18.384 99 HG12 VAL 14 HG12 VAL 14 1.015 5.552 19.523 100 HG13 VAL 14 HG13 VAL 14 0.042 6.569 18.459 101 HG21 VAL 14 HG21 VAL 14 0.137 6.415 16.249 102 HG22 VAL 14 HG22 VAL 14 1.777 6.821 15.745 103 HG23 VAL 14 HG23 VAL 14 1.139 5.204 15.448 104 H ASP 15 H ASP 15 4.402 4.435 18.120 105 HA ASP 15 HA ASP 15 5.781 4.876 15.594 106 HB2 ASP 15 HB2 ASP 15 8.010 4.767 16.607 107 HB3 ASP 15 HB3 ASP 15 7.107 6.165 17.206 108 H VAL 16 H VAL 16 6.252 3.011 14.602 109 HA VAL 16 HA VAL 16 6.561 0.565 16.169 110 HB VAL 16 HB VAL 16 4.665 0.612 13.828 111 HG11 VAL 16 HG11 VAL 16 5.920 -1.456 15.190 112 HG12 VAL 16 HG12 VAL 16 4.284 -1.422 15.849 113 HG13 VAL 16 HG13 VAL 16 4.531 -1.592 14.111 114 HG21 VAL 16 HG21 VAL 16 4.054 0.921 16.761 115 HG22 VAL 16 HG22 VAL 16 3.643 2.028 15.451 116 HG23 VAL 16 HG23 VAL 16 2.853 0.455 15.556 117 H THR 17 H THR 17 8.624 1.812 14.982 118 HA THR 17 HA THR 17 10.316 1.614 13.466 119 HB THR 17 HB THR 17 11.016 -0.567 12.940 120 HG1 THR 17 HG1 THR 17 9.657 -2.020 12.221 121 HG21 THR 17 HG21 THR 17 10.933 -0.192 15.351 122 HG22 THR 17 HG22 THR 17 10.603 -1.883 14.975 123 HG23 THR 17 HG23 THR 17 9.278 -0.799 15.401 124 H ILE 18 H ILE 18 10.700 0.335 11.122 125 HA ILE 18 HA ILE 18 8.534 1.383 9.420 126 HB ILE 18 HB ILE 18 11.391 1.028 8.543 127 HG12 ILE 18 HG12 ILE 18 11.413 2.556 10.431 128 HG13 ILE 18 HG13 ILE 18 11.678 3.455 8.927 129 HG21 ILE 18 HG21 ILE 18 10.341 3.060 7.092 130 HG22 ILE 18 HG22 ILE 18 10.335 1.371 6.589 131 HG23 ILE 18 HG23 ILE 18 8.910 2.064 7.362 132 HD11 ILE 18 HD11 ILE 18 8.889 3.414 9.439 133 HD12 ILE 18 HD12 ILE 18 9.725 3.913 10.911 134 HD13 ILE 18 HD13 ILE 18 9.990 4.791 9.404 135 H GLU 19 H GLU 19 8.106 0.265 7.428 136 HA GLU 19 HA GLU 19 9.249 -2.178 6.686 137 HB2 GLU 19 HB2 GLU 19 7.278 -3.660 7.344 138 HB3 GLU 19 HB3 GLU 19 8.418 -3.220 8.626 139 HG2 GLU 19 HG2 GLU 19 6.904 -2.000 9.767 140 HG3 GLU 19 HG3 GLU 19 6.111 -1.423 8.294 141 H ASP 20 H ASP 20 8.991 -1.490 4.613 142 HA ASP 20 HA ASP 20 6.219 -1.315 3.634 143 HB2 ASP 20 HB2 ASP 20 7.833 0.837 3.723 144 HB3 ASP 20 HB3 ASP 20 8.325 0.170 2.160 145 H SER 21 H SER 21 5.985 -3.277 2.713 146 HA SER 21 HA SER 21 6.219 -4.976 1.219 147 HB2 SER 21 HB2 SER 21 8.143 -3.234 -0.329 148 HB3 SER 21 HB3 SER 21 7.040 -4.478 -0.945 149 HG SER 21 HG SER 21 5.310 -3.054 -0.146 150 H TYR 22 H TYR 22 8.206 -4.472 3.438 151 HA TYR 22 HA TYR 22 10.692 -5.558 2.486 152 HB2 TYR 22 HB2 TYR 22 9.642 -4.455 4.984 153 HB3 TYR 22 HB3 TYR 22 10.709 -5.837 5.240 154 HD1 TYR 22 HD2 TYR 22 10.686 -2.817 3.026 155 HD2 TYR 22 HD1 TYR 22 12.906 -5.312 5.660 156 HE1 TYR 22 HE2 TYR 22 12.656 -1.377 2.719 157 HE2 TYR 22 HE1 TYR 22 14.882 -3.879 5.362 158 HH TYR 22 HH TYR 22 14.708 -0.840 3.661 159 H SER 23 H SER 23 8.678 -6.781 5.148 160 HA SER 23 HA SER 23 9.528 -9.478 4.618 161 HB2 SER 23 HB2 SER 23 8.289 -8.034 6.801 162 HB3 SER 23 HB3 SER 23 7.416 -9.542 6.474 163 HG SER 23 HG SER 23 9.629 -10.511 6.467 164 H THR 24 H THR 24 7.825 -11.252 4.603 165 HA THR 24 HA THR 24 6.086 -12.316 3.585 166 HB THR 24 HB THR 24 4.714 -9.679 3.133 167 HG1 THR 24 HG1 THR 24 4.459 -11.119 5.554 168 HG21 THR 24 HG21 THR 24 3.755 -12.476 3.750 169 HG22 THR 24 HG22 THR 24 3.604 -11.616 2.218 170 HG23 THR 24 HG23 THR 24 2.707 -11.063 3.632 171 H GLU 25 H GLU 25 7.004 -13.047 1.733 172 HA GLU 25 HA GLU 25 7.938 -11.617 -0.420 173 HB2 GLU 25 HB2 GLU 25 7.884 -13.616 -1.677 174 HB3 GLU 25 HB3 GLU 25 8.120 -14.115 0.004 175 HG2 GLU 25 HG2 GLU 25 5.487 -14.137 -1.473 176 HG3 GLU 25 HG3 GLU 25 6.521 -15.542 -1.177 177 H SER 26 H SER 26 4.634 -12.538 0.323 178 HA SER 26 HA SER 26 3.472 -11.933 -2.164 179 HB2 SER 26 HB2 SER 26 2.372 -12.003 0.651 180 HB3 SER 26 HB3 SER 26 1.356 -11.614 -0.748 181 HG SER 26 HG SER 26 1.940 -13.996 0.120 182 H ALA 27 H ALA 27 2.748 -10.081 -3.071 183 HA ALA 27 HA ALA 27 3.279 -7.587 -1.596 184 HB1 ALA 27 HB1 ALA 27 4.351 -6.829 -3.386 185 HB2 ALA 27 HB2 ALA 27 4.175 -8.426 -4.114 186 HB3 ALA 27 HB3 ALA 27 2.967 -7.178 -4.421 187 H TRP 28 H TRP 28 1.852 -5.764 -2.063 188 HA TRP 28 HA TRP 28 -0.916 -6.677 -2.387 189 HB2 TRP 28 HB2 TRP 28 0.378 -4.379 -0.957 190 HB3 TRP 28 HB3 TRP 28 -1.302 -4.232 -1.474 191 HD1 TRP 28 HD1 TRP 28 0.690 -5.458 1.362 192 HE1 TRP 28 HE1 TRP 28 -0.761 -6.864 2.958 193 HE3 TRP 28 HE3 TRP 28 -3.389 -6.148 -1.642 194 HZ2 TRP 28 HZ2 TRP 28 -3.297 -8.101 2.945 195 HZ3 TRP 28 HZ3 TRP 28 -5.285 -7.455 -0.776 196 HH2 TRP 28 HH2 TRP 28 -5.237 -8.411 1.470 197 H VAL 29 H VAL 29 -2.185 -5.996 -4.016 198 HA VAL 29 HA VAL 29 -1.170 -3.854 -5.763 199 HB VAL 29 HB VAL 29 -2.210 -5.149 -7.685 200 HG11 VAL 29 HG11 VAL 29 0.133 -6.525 -6.390 201 HG12 VAL 29 HG12 VAL 29 -0.217 -6.368 -8.112 202 HG13 VAL 29 HG13 VAL 29 0.247 -4.949 -7.172 203 HG21 VAL 29 HG21 VAL 29 -1.931 -7.503 -5.831 204 HG22 VAL 29 HG22 VAL 29 -3.469 -6.699 -6.140 205 HG23 VAL 29 HG23 VAL 29 -2.600 -7.477 -7.462 206 H ARG 30 H ARG 30 -2.619 -2.341 -6.327 207 HA ARG 30 HA ARG 30 -5.402 -2.752 -5.471 208 HB2 ARG 30 HB2 ARG 30 -4.120 -0.878 -4.431 209 HB3 ARG 30 HB3 ARG 30 -3.987 -0.142 -6.035 210 HG2 ARG 30 HG2 ARG 30 -6.690 -0.589 -5.812 211 HG3 ARG 30 HG3 ARG 30 -6.216 -0.145 -4.164 212 HD2 ARG 30 HD2 ARG 30 -6.828 1.858 -5.360 213 HD3 ARG 30 HD3 ARG 30 -5.083 1.862 -5.070 214 HE ARG 30 HE ARG 30 -5.811 0.767 -7.624 215 HH11 ARG 30 HH11 ARG 30 -5.125 3.686 -5.855 216 HH12 ARG 30 HH12 ARG 30 -4.657 4.584 -7.262 217 HH21 ARG 30 HH21 ARG 30 -5.199 1.938 -9.483 218 HH22 ARG 30 HH22 ARG 30 -4.702 3.588 -9.325 219 H CYS 31 H CYS 31 -7.104 -2.347 -6.846 220 HA CYS 31 HA CYS 31 -6.550 -2.608 -9.648 221 HB2 CYS 31 HB2 CYS 31 -8.473 -3.706 -8.481 222 HB3 CYS 31 HB3 CYS 31 -9.210 -2.114 -8.298 223 H ASP 32 H ASP 32 -6.611 -1.099 -11.213 224 HA ASP 32 HA ASP 32 -6.912 1.684 -10.372 225 HB2 ASP 32 HB2 ASP 32 -4.955 0.606 -11.813 226 HB3 ASP 32 HB3 ASP 32 -6.075 0.944 -13.139 227 H ASP 33 H ASP 33 -9.275 0.125 -10.587 228 HA ASP 33 HA ASP 33 -10.694 1.730 -12.562 229 HB2 ASP 33 HB2 ASP 33 -10.102 -0.406 -13.703 230 HB3 ASP 33 HB3 ASP 33 -11.004 -1.276 -12.455 231 H CYS 34 H CYS 34 -10.881 -0.654 -9.955 232 HA CYS 34 HA CYS 34 -13.381 0.632 -9.068 233 HB2 CYS 34 HB2 CYS 34 -14.163 -1.452 -8.212 234 HB3 CYS 34 HB3 CYS 34 -13.624 -1.742 -9.866 235 H PHE 35 H PHE 35 -10.162 0.157 -8.384 236 HA PHE 35 HA PHE 35 -8.851 0.563 -6.571 237 HB2 PHE 35 HB2 PHE 35 -11.346 2.075 -6.007 238 HB3 PHE 35 HB3 PHE 35 -10.264 1.806 -4.640 239 HD1 PHE 35 HD1 PHE 35 -9.507 2.478 -8.223 240 HD2 PHE 35 HD2 PHE 35 -9.206 3.805 -4.191 241 HE1 PHE 35 HE1 PHE 35 -8.091 4.355 -8.950 242 HE2 PHE 35 HE2 PHE 35 -7.791 5.684 -4.911 243 HZ PHE 35 HZ PHE 35 -7.233 5.962 -7.293 244 H LYS 36 H LYS 36 -8.995 -1.840 -6.380 245 HA LYS 36 HA LYS 36 -10.080 -2.547 -3.740 246 HB2 LYS 36 HB2 LYS 36 -11.609 -3.568 -5.224 247 HB3 LYS 36 HB3 LYS 36 -10.316 -4.092 -6.315 248 HG2 LYS 36 HG2 LYS 36 -10.242 -5.136 -3.537 249 HG3 LYS 36 HG3 LYS 36 -11.515 -5.745 -4.612 250 HD2 LYS 36 HD2 LYS 36 -9.572 -6.080 -6.316 251 HD3 LYS 36 HD3 LYS 36 -8.542 -5.986 -4.876 252 HE2 LYS 36 HE2 LYS 36 -9.053 -8.308 -5.346 253 HE3 LYS 36 HE3 LYS 36 -9.851 -7.807 -3.847 254 HZ1 LYS 36 HZ1 LYS 36 -11.709 -8.592 -4.743 255 HZ2 LYS 36 HZ2 LYS 36 -11.009 -8.754 -6.275 256 HZ3 LYS 36 HZ3 LYS 36 -11.685 -7.276 -5.807 257 H TRP 37 H TRP 37 -8.711 -3.614 -2.431 258 HA TRP 37 HA TRP 37 -5.981 -3.934 -3.280 259 HB2 TRP 37 HB2 TRP 37 -7.475 -4.096 -0.709 260 HB3 TRP 37 HB3 TRP 37 -5.961 -4.996 -0.814 261 HD1 TRP 37 HD1 TRP 37 -6.945 -1.916 0.548 262 HE1 TRP 37 HE1 TRP 37 -5.110 -0.115 0.443 263 HE3 TRP 37 HE3 TRP 37 -3.912 -4.050 -2.971 264 HZ2 TRP 37 HZ2 TRP 37 -2.698 0.343 -0.949 265 HZ3 TRP 37 HZ3 TRP 37 -1.860 -2.866 -3.634 266 HH2 TRP 37 HH2 TRP 37 -1.267 -0.715 -2.643 267 H ARG 38 H ARG 38 -4.851 -5.803 -3.605 268 HA ARG 38 HA ARG 38 -6.211 -8.361 -3.213 269 HB2 ARG 38 HB2 ARG 38 -6.215 -7.169 -5.687 270 HB3 ARG 38 HB3 ARG 38 -4.781 -8.203 -5.772 271 HG2 ARG 38 HG2 ARG 38 -7.353 -9.349 -4.769 272 HG3 ARG 38 HG3 ARG 38 -7.106 -9.118 -6.507 273 HD2 ARG 38 HD2 ARG 38 -5.250 -10.577 -6.560 274 HD3 ARG 38 HD3 ARG 38 -5.088 -10.542 -4.799 275 HE ARG 38 HE ARG 38 -7.595 -11.624 -5.682 276 HH11 ARG 38 HH11 ARG 38 -4.251 -12.338 -5.028 277 HH12 ARG 38 HH12 ARG 38 -4.531 -14.024 -4.743 278 HH21 ARG 38 HH21 ARG 38 -7.977 -13.843 -5.309 279 HH22 ARG 38 HH22 ARG 38 -6.650 -14.878 -4.903 280 H ARG 39 H ARG 39 -4.886 -9.750 -2.259 281 HA ARG 39 HA ARG 39 -2.052 -9.147 -2.095 282 HB2 ARG 39 HB2 ARG 39 -3.624 -9.946 -0.178 283 HB3 ARG 39 HB3 ARG 39 -3.344 -11.556 -0.861 284 HG2 ARG 39 HG2 ARG 39 -0.796 -10.552 -0.684 285 HG3 ARG 39 HG3 ARG 39 -1.590 -9.879 0.751 286 HD2 ARG 39 HD2 ARG 39 -2.495 -12.375 0.968 287 HD3 ARG 39 HD3 ARG 39 -1.023 -12.709 0.045 288 HE ARG 39 HE ARG 39 -0.549 -11.020 2.309 289 HH11 ARG 39 HH11 ARG 39 -0.935 -14.317 1.263 290 HH12 ARG 39 HH12 ARG 39 -0.019 -14.980 2.576 291 HH21 ARG 39 HH21 ARG 39 0.659 -11.878 4.043 292 HH22 ARG 39 HH22 ARG 39 0.887 -13.590 4.158 293 H ILE 40 H ILE 40 -0.726 -9.855 -3.623 294 HA ILE 40 HA ILE 40 -1.254 -12.494 -4.829 295 HB ILE 40 HB ILE 40 -0.318 -11.774 -6.882 296 HG12 ILE 40 HG12 ILE 40 0.486 -9.262 -5.396 297 HG13 ILE 40 HG13 ILE 40 1.566 -10.491 -6.077 298 HG21 ILE 40 HG21 ILE 40 -1.789 -9.980 -7.552 299 HG22 ILE 40 HG22 ILE 40 -2.635 -11.051 -6.436 300 HG23 ILE 40 HG23 ILE 40 -2.017 -9.498 -5.871 301 HD11 ILE 40 HD11 ILE 40 -0.210 -8.637 -7.645 302 HD12 ILE 40 HD12 ILE 40 1.545 -8.534 -7.487 303 HD13 ILE 40 HD13 ILE 40 0.814 -9.898 -8.332 304 HA PRO 41 HA PRO 41 2.656 -13.889 -3.395 305 HB2 PRO 41 HB2 PRO 41 3.327 -15.660 -5.374 306 HB3 PRO 41 HB3 PRO 41 2.062 -15.965 -4.183 307 HG2 PRO 41 HG2 PRO 41 1.824 -14.933 -6.989 308 HG3 PRO 41 HG3 PRO 41 0.848 -16.198 -6.152 309 HD2 PRO 41 HD2 PRO 41 -0.037 -13.654 -6.499 310 HD3 PRO 41 HD3 PRO 41 -0.445 -14.624 -5.073 311 H ALA 42 H ALA 42 4.912 -13.772 -3.758 312 HA ALA 42 HA ALA 42 5.760 -11.550 -5.291 313 HB1 ALA 42 HB1 ALA 42 7.679 -11.731 -4.141 314 HB2 ALA 42 HB2 ALA 42 6.790 -12.913 -3.180 315 HB3 ALA 42 HB3 ALA 42 7.844 -13.452 -4.488 316 H SER 43 H SER 43 5.149 -14.755 -6.153 317 HA SER 43 HA SER 43 7.133 -15.010 -8.210 318 HB2 SER 43 HB2 SER 43 6.426 -17.085 -7.411 319 HB3 SER 43 HB3 SER 43 4.723 -16.595 -7.380 320 HG SER 43 HG SER 43 5.521 -18.049 -9.159 321 H VAL 44 H VAL 44 3.752 -14.036 -8.052 322 HA VAL 44 HA VAL 44 3.648 -13.650 -10.940 323 HB VAL 44 HB VAL 44 1.716 -14.639 -9.651 324 HG11 VAL 44 HG11 VAL 44 0.242 -13.140 -8.448 325 HG12 VAL 44 HG12 VAL 44 1.850 -13.113 -7.722 326 HG13 VAL 44 HG13 VAL 44 1.325 -11.785 -8.758 327 HG21 VAL 44 HG21 VAL 44 1.020 -14.048 -11.733 328 HG22 VAL 44 HG22 VAL 44 0.063 -12.895 -10.803 329 HG23 VAL 44 HG23 VAL 44 1.568 -12.380 -11.564 330 H VAL 45 H VAL 45 3.940 -11.825 -7.993 331 HA VAL 45 HA VAL 45 3.148 -9.295 -8.802 332 HB VAL 45 HB VAL 45 4.028 -10.144 -6.493 333 HG11 VAL 45 HG11 VAL 45 6.329 -10.560 -7.534 334 HG12 VAL 45 HG12 VAL 45 6.544 -8.810 -7.442 335 HG13 VAL 45 HG13 VAL 45 6.273 -9.746 -5.971 336 HG21 VAL 45 HG21 VAL 45 4.903 -7.591 -6.218 337 HG22 VAL 45 HG22 VAL 45 3.976 -7.472 -7.713 338 HG23 VAL 45 HG23 VAL 45 3.204 -8.065 -6.242 339 H GLY 46 H GLY 46 5.963 -11.120 -9.685 340 HA2 GLY 46 HA2 GLY 46 7.197 -8.750 -10.910 341 HA3 GLY 46 HA3 GLY 46 7.987 -10.297 -10.644 342 H SER 47 H SER 47 4.791 -10.293 -11.948 343 HA SER 47 HA SER 47 5.842 -10.653 -14.667 344 HB2 SER 47 HB2 SER 47 5.550 -12.890 -14.258 345 HB3 SER 47 HB3 SER 47 4.315 -12.604 -13.019 346 HG SER 47 HG SER 47 2.802 -12.672 -14.493 347 H ILE 48 H ILE 48 3.050 -10.061 -12.595 348 HA ILE 48 HA ILE 48 1.225 -9.403 -14.646 349 HB ILE 48 HB ILE 48 -0.051 -8.232 -12.848 350 HG12 ILE 48 HG12 ILE 48 1.374 -9.208 -10.589 351 HG13 ILE 48 HG13 ILE 48 2.511 -8.278 -11.577 352 HG21 ILE 48 HG21 ILE 48 0.052 -10.482 -11.337 353 HG22 ILE 48 HG22 ILE 48 -0.828 -10.339 -12.857 354 HG23 ILE 48 HG23 ILE 48 0.789 -11.043 -12.837 355 HD11 ILE 48 HD11 ILE 48 1.678 -6.634 -10.231 356 HD12 ILE 48 HD12 ILE 48 0.582 -6.513 -11.608 357 HD13 ILE 48 HD13 ILE 48 0.074 -7.361 -10.148 358 H ASP 49 H ASP 49 3.765 -7.621 -13.094 359 HA ASP 49 HA ASP 49 2.878 -5.008 -13.745 360 HB2 ASP 49 HB2 ASP 49 5.330 -6.259 -12.693 361 HB3 ASP 49 HB3 ASP 49 5.605 -4.785 -13.630 362 H GLU 50 H GLU 50 2.207 -5.077 -15.915 363 HA GLU 50 HA GLU 50 4.211 -5.656 -17.951 364 HB2 GLU 50 HB2 GLU 50 2.327 -5.277 -19.548 365 HB3 GLU 50 HB3 GLU 50 2.037 -6.574 -18.378 366 HG2 GLU 50 HG2 GLU 50 0.218 -5.585 -17.584 367 HG3 GLU 50 HG3 GLU 50 1.072 -4.049 -17.379 368 H SER 51 H SER 51 2.572 -2.966 -16.477 369 HA SER 51 HA SER 51 4.241 -1.139 -18.049 370 HB2 SER 51 HB2 SER 51 1.404 -1.386 -18.300 371 HB3 SER 51 HB3 SER 51 1.763 0.176 -17.542 372 HG SER 51 HG SER 51 1.762 0.169 -19.895 373 H SER 52 H SER 52 1.771 -1.030 -15.475 374 HA SER 52 HA SER 52 3.507 -0.388 -13.388 375 HB2 SER 52 HB2 SER 52 2.492 2.130 -13.318 376 HB3 SER 52 HB3 SER 52 4.073 1.725 -14.006 377 HG SER 52 HG SER 52 3.349 2.180 -15.927 378 H ARG 53 H ARG 53 0.329 -0.012 -14.818 379 HA ARG 53 HA ARG 53 -0.959 0.157 -12.218 380 HB2 ARG 53 HB2 ARG 53 -3.039 0.383 -13.466 381 HB3 ARG 53 HB3 ARG 53 -1.818 1.503 -14.088 382 HG2 ARG 53 HG2 ARG 53 -1.692 -0.988 -15.525 383 HG3 ARG 53 HG3 ARG 53 -3.340 -0.335 -15.540 384 HD2 ARG 53 HD2 ARG 53 -2.092 1.927 -16.096 385 HD3 ARG 53 HD3 ARG 53 -0.829 0.820 -16.654 386 HE ARG 53 HE ARG 53 -3.296 1.385 -17.959 387 HH11 ARG 53 HH11 ARG 53 -0.946 -1.122 -17.403 388 HH12 ARG 53 HH12 ARG 53 -1.311 -1.970 -18.869 389 HH21 ARG 53 HH21 ARG 53 -3.786 0.278 -19.892 390 HH22 ARG 53 HH22 ARG 53 -2.926 -1.172 -20.284 391 H TRP 54 H TRP 54 -3.149 -1.274 -12.272 392 HA TRP 54 HA TRP 54 -2.870 -3.915 -13.302 393 HB2 TRP 54 HB2 TRP 54 -1.198 -4.081 -11.523 394 HB3 TRP 54 HB3 TRP 54 -2.379 -3.514 -10.342 395 HD1 TRP 54 HD1 TRP 54 -1.327 -6.637 -12.219 396 HE1 TRP 54 HE1 TRP 54 -2.634 -8.653 -11.300 397 HE3 TRP 54 HE3 TRP 54 -4.682 -4.152 -9.268 398 HZ2 TRP 54 HZ2 TRP 54 -4.802 -9.129 -9.555 399 HZ3 TRP 54 HZ3 TRP 54 -6.341 -5.462 -8.008 400 HH2 TRP 54 HH2 TRP 54 -6.398 -7.898 -8.151 401 H ILE 55 H ILE 55 -4.747 -5.120 -13.080 402 HA ILE 55 HA ILE 55 -6.928 -3.899 -11.533 403 HB ILE 55 HB ILE 55 -8.449 -4.663 -13.467 404 HG12 ILE 55 HG12 ILE 55 -5.770 -4.488 -14.868 405 HG13 ILE 55 HG13 ILE 55 -6.798 -5.924 -14.730 406 HG21 ILE 55 HG21 ILE 55 -6.745 -2.348 -14.264 407 HG22 ILE 55 HG22 ILE 55 -8.502 -2.509 -14.271 408 HG23 ILE 55 HG23 ILE 55 -7.643 -2.281 -12.747 409 HD11 ILE 55 HD11 ILE 55 -6.935 -3.709 -16.616 410 HD12 ILE 55 HD12 ILE 55 -7.553 -5.357 -16.746 411 HD13 ILE 55 HD13 ILE 55 -8.490 -4.128 -15.896 412 H CYS 56 H CYS 56 -8.868 -5.452 -11.462 413 HA CYS 56 HA CYS 56 -8.064 -7.827 -10.201 414 HB2 CYS 56 HB2 CYS 56 -10.793 -7.258 -11.378 415 HB3 CYS 56 HB3 CYS 56 -10.413 -8.368 -10.060 416 H MET 57 H MET 57 -9.591 -7.329 -13.380 417 HA MET 57 HA MET 57 -9.622 -10.006 -14.178 418 HB2 MET 57 HB2 MET 57 -9.723 -9.099 -16.505 419 HB3 MET 57 HB3 MET 57 -10.903 -8.383 -15.396 420 HG2 MET 57 HG2 MET 57 -8.678 -6.720 -15.198 421 HG3 MET 57 HG3 MET 57 -8.795 -7.122 -16.913 422 HE1 MET 57 HE1 MET 57 -11.573 -4.574 -14.395 423 HE2 MET 57 HE2 MET 57 -11.770 -6.303 -14.109 424 HE3 MET 57 HE3 MET 57 -10.195 -5.544 -13.877 425 H ASN 58 H ASN 58 -7.015 -7.796 -13.888 426 HA ASN 58 HA ASN 58 -5.273 -9.190 -15.726 427 HB2 ASN 58 HB2 ASN 58 -5.121 -6.756 -14.037 428 HB3 ASN 58 HB3 ASN 58 -3.594 -7.596 -14.328 429 HD21 ASN 58 HD21 ASN 58 -6.404 -7.222 -16.436 430 HD22 ASN 58 HD22 ASN 58 -5.564 -6.406 -17.706 431 H ASN 59 H ASN 59 -6.331 -9.702 -12.595 432 HA ASN 59 HA ASN 59 -4.050 -10.570 -11.241 433 HB2 ASN 59 HB2 ASN 59 -6.325 -10.225 -10.243 434 HB3 ASN 59 HB3 ASN 59 -6.825 -11.747 -10.990 435 HD21 ASN 59 HD21 ASN 59 -7.286 -12.245 -8.698 436 HD22 ASN 59 HD22 ASN 59 -6.015 -12.930 -7.748 437 H SER 60 H SER 60 -3.017 -12.534 -11.052 438 HA SER 60 HA SER 60 -2.891 -14.155 -13.352 439 HB2 SER 60 HB2 SER 60 -0.906 -14.392 -12.284 440 HB3 SER 60 HB3 SER 60 -1.628 -14.107 -10.690 441 HG SER 60 HG SER 60 -0.871 -16.405 -11.675 442 H ASP 61 H ASP 61 -4.825 -14.317 -10.483 443 HA ASP 61 HA ASP 61 -5.527 -17.067 -10.647 444 HB2 ASP 61 HB2 ASP 61 -5.853 -15.148 -8.757 445 HB3 ASP 61 HB3 ASP 61 -7.481 -15.198 -9.449 446 H LYS 62 H LYS 62 -8.240 -17.208 -10.571 447 HA LYS 62 HA LYS 62 -9.153 -16.088 -13.132 448 HB2 LYS 62 HB2 LYS 62 -9.787 -18.913 -12.287 449 HB3 LYS 62 HB3 LYS 62 -10.010 -18.166 -13.877 450 HG2 LYS 62 HG2 LYS 62 -8.140 -19.334 -14.356 451 HG3 LYS 62 HG3 LYS 62 -7.361 -17.904 -13.658 452 HD2 LYS 62 HD2 LYS 62 -6.349 -19.836 -12.672 453 HD3 LYS 62 HD3 LYS 62 -7.369 -19.064 -11.444 454 HE2 LYS 62 HE2 LYS 62 -8.832 -20.799 -11.360 455 HE3 LYS 62 HE3 LYS 62 -8.687 -21.123 -13.093 456 HZ1 LYS 62 HZ1 LYS 62 -6.653 -22.275 -12.746 457 HZ2 LYS 62 HZ2 LYS 62 -7.770 -22.892 -11.635 458 HZ3 LYS 62 HZ3 LYS 62 -6.579 -21.807 -11.121 459 H ARG 63 H ARG 63 -10.193 -17.891 -10.240 460 HA ARG 63 HA ARG 63 -12.910 -17.091 -10.441 461 HB2 ARG 63 HB2 ARG 63 -11.257 -18.670 -8.636 462 HB3 ARG 63 HB3 ARG 63 -12.459 -17.704 -7.766 463 HG2 ARG 63 HG2 ARG 63 -13.520 -19.750 -8.161 464 HG3 ARG 63 HG3 ARG 63 -14.174 -18.652 -9.388 465 HD2 ARG 63 HD2 ARG 63 -13.464 -19.983 -11.027 466 HD3 ARG 63 HD3 ARG 63 -11.809 -19.885 -10.410 467 HE ARG 63 HE ARG 63 -12.073 -21.944 -9.427 468 HH11 ARG 63 HH11 ARG 63 -15.174 -20.729 -10.441 469 HH12 ARG 63 HH12 ARG 63 -16.002 -22.222 -10.144 470 HH21 ARG 63 HH21 ARG 63 -13.151 -23.915 -9.033 471 HH22 ARG 63 HH22 ARG 63 -14.851 -24.033 -9.342 472 H PHE 64 H PHE 64 -10.079 -15.589 -9.188 473 HA PHE 64 HA PHE 64 -11.735 -13.472 -7.979 474 HB2 PHE 64 HB2 PHE 64 -9.118 -14.673 -7.141 475 HB3 PHE 64 HB3 PHE 64 -9.459 -12.987 -6.745 476 HD1 PHE 64 HD1 PHE 64 -11.416 -16.168 -6.672 477 HD2 PHE 64 HD2 PHE 64 -10.169 -12.668 -4.597 478 HE1 PHE 64 HE1 PHE 64 -12.719 -16.873 -4.707 479 HE2 PHE 64 HE2 PHE 64 -11.469 -13.367 -2.628 480 HZ PHE 64 HZ PHE 64 -12.746 -15.473 -2.682 481 H ALA 65 H ALA 65 -10.588 -13.933 -10.765 482 HA ALA 65 HA ALA 65 -8.950 -11.501 -10.984 483 HB1 ALA 65 HB1 ALA 65 -7.943 -12.371 -12.855 484 HB2 ALA 65 HB2 ALA 65 -8.262 -13.841 -11.933 485 HB3 ALA 65 HB3 ALA 65 -9.328 -13.385 -13.263 486 H ASP 66 H ASP 66 -11.074 -10.360 -10.631 487 HA ASP 66 HA ASP 66 -11.964 -9.210 -13.016 488 HB2 ASP 66 HB2 ASP 66 -13.407 -11.622 -12.184 489 HB3 ASP 66 HB3 ASP 66 -14.458 -10.217 -12.403 490 H CYS 67 H CYS 67 -13.187 -7.383 -12.650 491 HA CYS 67 HA CYS 67 -13.117 -6.271 -10.073 492 HB2 CYS 67 HB2 CYS 67 -14.349 -5.509 -12.685 493 HB3 CYS 67 HB3 CYS 67 -14.872 -4.648 -11.237 494 H SER 68 H SER 68 -15.486 -8.213 -11.686 495 HA SER 68 HA SER 68 -17.738 -7.509 -10.118 496 HB2 SER 68 HB2 SER 68 -18.315 -8.603 -12.090 497 HB3 SER 68 HB3 SER 68 -17.043 -9.823 -11.896 498 HG SER 68 HG SER 68 -18.680 -10.976 -11.208 499 H LYS 69 H LYS 69 -15.023 -9.590 -9.587 500 HA LYS 69 HA LYS 69 -16.153 -11.214 -7.550 501 HB2 LYS 69 HB2 LYS 69 -13.240 -10.484 -7.938 502 HB3 LYS 69 HB3 LYS 69 -13.880 -11.888 -7.067 503 HG2 LYS 69 HG2 LYS 69 -14.071 -11.375 -10.037 504 HG3 LYS 69 HG3 LYS 69 -13.047 -12.570 -9.222 505 HD2 LYS 69 HD2 LYS 69 -15.029 -13.742 -8.397 506 HD3 LYS 69 HD3 LYS 69 -16.065 -12.531 -9.173 507 HE2 LYS 69 HE2 LYS 69 -14.080 -13.827 -10.941 508 HE3 LYS 69 HE3 LYS 69 -15.360 -14.877 -10.317 509 HZ1 LYS 69 HZ1 LYS 69 -16.867 -13.928 -11.630 510 HZ2 LYS 69 HZ2 LYS 69 -15.571 -13.244 -12.473 511 HZ3 LYS 69 HZ3 LYS 69 -16.354 -12.358 -11.264 512 H SER 70 H SER 70 -15.379 -11.191 -5.267 513 HA SER 70 HA SER 70 -15.680 -8.503 -4.198 514 HB2 SER 70 HB2 SER 70 -15.463 -10.139 -2.006 515 HB3 SER 70 HB3 SER 70 -16.984 -9.737 -2.824 516 HG SER 70 HG SER 70 -15.458 -12.081 -2.963 517 H GLN 71 H GLN 71 -14.351 -8.002 -2.175 518 HA GLN 71 HA GLN 71 -11.613 -7.929 -2.913 519 HB2 GLN 71 HB2 GLN 71 -12.871 -6.203 -1.547 520 HB3 GLN 71 HB3 GLN 71 -12.736 -7.320 -0.179 521 HG2 GLN 71 HG2 GLN 71 -10.417 -7.096 -0.048 522 HG3 GLN 71 HG3 GLN 71 -10.308 -6.426 -1.682 523 HE21 GLN 71 HE21 GLN 71 -8.984 -5.036 0.048 524 HE22 GLN 71 HE22 GLN 71 -9.806 -3.596 0.531 525 H GLU 72 H GLU 72 -9.825 -8.645 -1.481 526 HA GLU 72 HA GLU 72 -10.243 -11.428 -0.750 527 HB2 GLU 72 HB2 GLU 72 -7.786 -9.706 -1.073 528 HB3 GLU 72 HB3 GLU 72 -7.712 -11.350 -0.421 529 HG2 GLU 72 HG2 GLU 72 -9.208 -11.223 -2.911 530 HG3 GLU 72 HG3 GLU 72 -7.550 -10.630 -3.077 531 H MET 73 H MET 73 -9.223 -8.394 0.750 532 HA MET 73 HA MET 73 -9.825 -9.566 3.368 533 HB2 MET 73 HB2 MET 73 -7.286 -8.145 2.573 534 HB3 MET 73 HB3 MET 73 -7.816 -8.247 4.259 535 HG2 MET 73 HG2 MET 73 -7.984 -10.847 3.580 536 HG3 MET 73 HG3 MET 73 -6.692 -10.324 2.497 537 HE1 MET 73 HE1 MET 73 -4.154 -8.718 4.832 538 HE2 MET 73 HE2 MET 73 -5.332 -8.234 3.612 539 HE3 MET 73 HE3 MET 73 -5.641 -7.901 5.317 540 H SER 74 H SER 74 -9.989 -7.841 5.080 541 HA SER 74 HA SER 74 -11.652 -5.711 4.063 542 HB2 SER 74 HB2 SER 74 -10.868 -6.508 6.882 543 HB3 SER 74 HB3 SER 74 -11.990 -5.191 6.494 544 HG SER 74 HG SER 74 -13.245 -6.968 6.821 545 H ASN 75 H ASN 75 -11.332 -3.484 4.428 546 HA ASN 75 HA ASN 75 -8.844 -2.461 3.857 547 HB2 ASN 75 HB2 ASN 75 -11.414 -1.424 4.422 548 HB3 ASN 75 HB3 ASN 75 -10.282 -0.561 5.471 549 HD21 ASN 75 HD21 ASN 75 -9.964 -1.849 2.185 550 HD22 ASN 75 HD22 ASN 75 -9.509 -0.349 1.456 551 H GLU 76 H GLU 76 -10.290 -3.066 7.016 552 HA GLU 76 HA GLU 76 -8.341 -1.783 8.583 553 HB2 GLU 76 HB2 GLU 76 -9.146 -3.286 10.415 554 HB3 GLU 76 HB3 GLU 76 -10.428 -2.393 9.583 555 HG2 GLU 76 HG2 GLU 76 -10.417 -4.658 8.122 556 HG3 GLU 76 HG3 GLU 76 -9.901 -5.286 9.693 557 H GLU 77 H GLU 77 -8.636 -5.177 7.562 558 HA GLU 77 HA GLU 77 -6.323 -6.114 8.846 559 HB2 GLU 77 HB2 GLU 77 -8.264 -7.410 7.707 560 HB3 GLU 77 HB3 GLU 77 -7.285 -7.250 6.241 561 HG2 GLU 77 HG2 GLU 77 -6.896 -9.395 7.309 562 HG3 GLU 77 HG3 GLU 77 -5.435 -8.397 7.330 563 H ILE 78 H ILE 78 -6.821 -4.742 5.630 564 HA ILE 78 HA ILE 78 -4.176 -5.195 4.703 565 HB ILE 78 HB ILE 78 -6.118 -3.085 3.758 566 HG12 ILE 78 HG12 ILE 78 -5.707 -5.839 2.589 567 HG13 ILE 78 HG13 ILE 78 -6.963 -5.495 3.791 568 HG21 ILE 78 HG21 ILE 78 -4.849 -3.459 1.591 569 HG22 ILE 78 HG22 ILE 78 -3.995 -2.597 2.870 570 HG23 ILE 78 HG23 ILE 78 -3.642 -4.298 2.566 571 HD11 ILE 78 HD11 ILE 78 -7.070 -3.593 1.632 572 HD12 ILE 78 HD12 ILE 78 -7.188 -5.250 1.038 573 HD13 ILE 78 HD13 ILE 78 -8.323 -4.666 2.255 574 H ASN 79 H ASN 79 -5.791 -2.382 6.142 575 HA ASN 79 HA ASN 79 -3.673 -0.571 5.940 576 HB2 ASN 79 HB2 ASN 79 -5.363 0.692 6.691 577 HB3 ASN 79 HB3 ASN 79 -6.215 -0.720 7.328 578 HD21 ASN 79 HD21 ASN 79 -6.007 -1.277 9.464 579 HD22 ASN 79 HD22 ASN 79 -5.252 -0.255 10.634 580 H GLU 80 H GLU 80 -4.502 -2.848 8.532 581 HA GLU 80 HA GLU 80 -2.275 -2.090 10.168 582 HB2 GLU 80 HB2 GLU 80 -3.072 -3.581 11.729 583 HB3 GLU 80 HB3 GLU 80 -4.551 -3.216 10.827 584 HG2 GLU 80 HG2 GLU 80 -4.702 -5.486 10.932 585 HG3 GLU 80 HG3 GLU 80 -3.829 -5.294 9.405 586 H GLU 81 H GLU 81 -2.851 -4.426 7.658 587 HA GLU 81 HA GLU 81 -0.716 -6.184 8.195 588 HB2 GLU 81 HB2 GLU 81 -2.468 -6.854 6.694 589 HB3 GLU 81 HB3 GLU 81 -2.123 -5.494 5.614 590 HG2 GLU 81 HG2 GLU 81 -1.278 -7.595 4.707 591 HG3 GLU 81 HG3 GLU 81 0.028 -6.450 5.043 592 H LEU 82 H LEU 82 -0.935 -3.462 5.903 593 HA LEU 82 HA LEU 82 1.900 -3.567 5.370 594 HB2 LEU 82 HB2 LEU 82 -0.149 -1.501 4.548 595 HB3 LEU 82 HB3 LEU 82 1.490 -1.677 3.898 596 HG LEU 82 HG LEU 82 0.210 -4.158 3.512 597 HD11 LEU 82 HD11 LEU 82 -1.959 -3.658 3.391 598 HD12 LEU 82 HD12 LEU 82 -1.561 -2.825 1.888 599 HD13 LEU 82 HD13 LEU 82 -1.650 -1.922 3.400 600 HD21 LEU 82 HD21 LEU 82 0.233 -2.996 1.065 601 HD22 LEU 82 HD22 LEU 82 1.643 -3.726 1.834 602 HD23 LEU 82 HD23 LEU 82 1.391 -1.983 1.929 603 H GLY 83 H GLY 83 -0.277 -1.753 7.401 604 HA2 GLY 83 HA2 GLY 83 0.346 -0.553 9.313 605 HA3 GLY 83 HA3 GLY 83 2.010 -0.562 8.752 606 H ILE 84 H ILE 84 -0.796 0.479 6.891 607 HA ILE 84 HA ILE 84 0.410 3.155 6.734 608 HB ILE 84 HB ILE 84 -0.893 3.477 4.691 609 HG12 ILE 84 HG12 ILE 84 -1.759 0.599 5.053 610 HG13 ILE 84 HG13 ILE 84 -2.796 2.004 5.355 611 HG21 ILE 84 HG21 ILE 84 0.192 1.021 3.780 612 HG22 ILE 84 HG22 ILE 84 0.875 2.641 3.646 613 HG23 ILE 84 HG23 ILE 84 1.243 1.643 5.053 614 HD11 ILE 84 HD11 ILE 84 -2.933 0.739 3.084 615 HD12 ILE 84 HD12 ILE 84 -3.026 2.500 3.131 616 HD13 ILE 84 HD13 ILE 84 -1.515 1.708 2.685 617 H GLY 85 H GLY 85 -1.578 4.747 5.981 618 HA2 GLY 85 HA2 GLY 85 -3.537 4.534 8.183 619 HA3 GLY 85 HA3 GLY 85 -2.859 6.057 7.630 620 H GLN 86 H GLN 86 -4.578 3.248 6.258 621 HA GLN 86 HA GLN 86 -5.647 4.508 4.037 622 HB2 GLN 86 HB2 GLN 86 -6.242 2.090 5.602 623 HB3 GLN 86 HB3 GLN 86 -7.626 2.741 4.710 624 HG2 GLN 86 HG2 GLN 86 -6.635 2.416 2.641 625 HG3 GLN 86 HG3 GLN 86 -5.008 2.341 3.331 626 HE21 GLN 86 HE21 GLN 86 -4.637 0.401 2.206 627 HE22 GLN 86 HE22 GLN 86 -5.297 -1.097 2.759 628 H ASP 87 H ASP 87 -8.110 4.822 3.733 629 HA ASP 87 HA ASP 87 -8.922 6.848 5.651 630 HB2 ASP 87 HB2 ASP 87 -9.007 7.032 3.060 631 HB3 ASP 87 HB3 ASP 87 -10.489 6.078 3.206 632 H GLU 88 H GLU 88 -9.287 5.195 7.339 633 HA GLU 88 HA GLU 88 -11.521 3.406 7.024 634 HB2 GLU 88 HB2 GLU 88 -11.112 2.757 9.313 635 HB3 GLU 88 HB3 GLU 88 -9.568 2.857 8.453 636 HG2 GLU 88 HG2 GLU 88 -9.397 5.233 9.413 637 HG3 GLU 88 HG3 GLU 88 -10.683 4.718 10.515 638 H ALA 89 H ALA 89 -10.923 6.540 8.487 639 HA ALA 89 HA ALA 89 -12.320 8.149 9.290 640 HB1 ALA 89 HB1 ALA 89 -13.736 8.413 7.579 641 HB2 ALA 89 HB2 ALA 89 -13.929 6.675 7.348 642 HB3 ALA 89 HB3 ALA 89 -14.882 7.513 8.573 643 H ASP 90 H ASP 90 -14.600 8.338 10.527 644 HA ASP 90 HA ASP 90 -14.341 6.493 12.771 645 HB2 ASP 90 HB2 ASP 90 -14.431 9.031 13.027 646 HB3 ASP 90 HB3 ASP 90 -16.145 8.906 12.612 647 H ALA 91 H ALA 91 -16.945 7.818 10.730 648 HA ALA 91 HA ALA 91 -18.941 6.952 10.061 649 HB1 ALA 91 HB1 ALA 91 -17.847 4.271 10.890 650 HB2 ALA 91 HB2 ALA 91 -19.135 4.596 9.729 651 HB3 ALA 91 HB3 ALA 91 -17.473 5.058 9.356 652 H TYR 92 H TYR 92 -18.203 7.497 13.016 653 HA TYR 92 HA TYR 92 -19.678 5.871 14.713 654 HB2 TYR 92 HB2 TYR 92 -19.599 7.635 16.306 655 HB3 TYR 92 HB3 TYR 92 -18.107 7.736 15.370 656 HD1 TYR 92 HD1 TYR 92 -17.973 9.437 13.476 657 HD2 TYR 92 HD2 TYR 92 -21.028 9.507 16.436 658 HE1 TYR 92 HE1 TYR 92 -18.438 11.790 12.931 659 HE2 TYR 92 HE2 TYR 92 -21.503 11.859 15.898 660 HH TYR 92 HH TYR 92 -19.845 13.509 13.244 661 H ASP 93 H ASP 93 -21.739 6.321 15.783 662 HA ASP 93 HA ASP 93 -23.651 8.038 14.513 663 HB2 ASP 93 HB2 ASP 93 -23.408 5.868 13.068 664 HB3 ASP 93 HB3 ASP 93 -24.363 5.129 14.361 665 H CYS 94 H CYS 94 -24.869 8.769 16.113 666 HA CYS 94 HA CYS 94 -25.052 7.260 18.594 667 HB2 CYS 94 HB2 CYS 94 -24.561 9.799 18.355 668 HB3 CYS 94 HB3 CYS 94 -26.303 9.952 18.117 669 H ASP 95 H ASP 95 -26.395 5.825 16.846 670 HA ASP 95 HA ASP 95 -28.394 4.835 16.403 671 HB2 ASP 95 HB2 ASP 95 -28.460 5.364 19.027 672 HB3 ASP 95 HB3 ASP 95 -29.811 6.385 18.512 673 H ALA 96 H ALA 96 -27.705 7.376 15.135 674 HA ALA 96 HA ALA 96 -30.111 8.916 14.883 675 HB1 ALA 96 HB1 ALA 96 -28.890 10.368 13.622 676 HB2 ALA 96 HB2 ALA 96 -27.574 9.556 14.474 677 HB3 ALA 96 HB3 ALA 96 -27.981 9.084 12.823 678 H ALA 97 H ALA 97 -28.757 6.146 13.308 679 HA ALA 97 HA ALA 97 -30.243 6.336 10.883 680 HB1 ALA 97 HB1 ALA 97 -28.177 5.026 11.065 681 HB2 ALA 97 HB2 ALA 97 -28.992 3.907 12.159 682 HB3 ALA 97 HB3 ALA 97 -29.526 4.050 10.483 683 H LYS 98 H LYS 98 -30.887 5.063 14.059 684 HA LYS 98 HA LYS 98 -33.080 3.400 13.367 685 HB2 LYS 98 HB2 LYS 98 -31.650 4.081 15.708 686 HB3 LYS 98 HB3 LYS 98 -33.350 4.471 16.020 687 HG2 LYS 98 HG2 LYS 98 -33.516 2.322 16.622 688 HG3 LYS 98 HG3 LYS 98 -33.581 2.023 14.876 689 HD2 LYS 98 HD2 LYS 98 -30.911 2.209 16.215 690 HD3 LYS 98 HD3 LYS 98 -31.872 0.731 16.397 691 HE2 LYS 98 HE2 LYS 98 -31.423 0.055 14.309 692 HE3 LYS 98 HE3 LYS 98 -31.802 1.651 13.645 693 HZ1 LYS 98 HZ1 LYS 98 -29.218 0.810 14.842 694 HZ2 LYS 98 HZ2 LYS 98 -29.571 2.386 14.341 695 HZ3 LYS 98 HZ3 LYS 98 -29.518 1.131 13.209 696 H ARG 99 H ARG 99 -35.206 4.063 14.861 697 HA ARG 99 HA ARG 99 -36.007 6.792 14.531 698 HB2 ARG 99 HB2 ARG 99 -38.036 5.867 13.048 699 HB3 ARG 99 HB3 ARG 99 -36.551 6.517 12.340 700 HG2 ARG 99 HG2 ARG 99 -36.518 3.628 12.957 701 HG3 ARG 99 HG3 ARG 99 -37.613 4.146 11.664 702 HD2 ARG 99 HD2 ARG 99 -35.037 5.449 11.419 703 HD3 ARG 99 HD3 ARG 99 -34.869 3.688 11.464 704 HE ARG 99 HE ARG 99 -36.875 4.079 9.683 705 HH11 ARG 99 HH11 ARG 99 -33.643 5.336 9.990 706 HH12 ARG 99 HH12 ARG 99 -33.419 5.536 8.285 707 HH21 ARG 99 HH21 ARG 99 -36.592 4.339 7.434 708 HH22 ARG 99 HH22 ARG 99 -35.097 4.970 6.831 709 H GLY 100 H GLY 100 -37.669 3.631 14.451 710 HA2 GLY 100 HA2 GLY 100 -38.413 3.452 17.095 711 HA3 GLY 100 HA3 GLY 100 -39.632 4.474 16.350 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -29.426 44.414 -13.895 2 HA2 GLY 1 HA2 GLY 1 -30.224 42.798 -11.636 3 HA3 GLY 1 HA3 GLY 1 -29.706 41.865 -13.032 4 H SER 2 H SER 2 -28.269 41.419 -10.888 5 HA SER 2 HA SER 2 -25.660 42.291 -11.607 6 HB2 SER 2 HB2 SER 2 -26.816 44.212 -10.176 7 HB3 SER 2 HB3 SER 2 -26.327 43.165 -8.830 8 HG SER 2 HG SER 2 -24.247 43.490 -9.293 9 H ARG 3 H ARG 3 -23.991 41.269 -10.329 10 HA ARG 3 HA ARG 3 -24.821 39.285 -8.377 11 HB2 ARG 3 HB2 ARG 3 -23.716 38.608 -11.093 12 HB3 ARG 3 HB3 ARG 3 -23.449 37.536 -9.709 13 HG2 ARG 3 HG2 ARG 3 -25.351 36.564 -10.387 14 HG3 ARG 3 HG3 ARG 3 -26.120 37.914 -9.534 15 HD2 ARG 3 HD2 ARG 3 -27.177 38.160 -11.533 16 HD3 ARG 3 HD3 ARG 3 -25.723 39.105 -11.883 17 HE ARG 3 HE ARG 3 -25.016 36.621 -12.664 18 HH11 ARG 3 HH11 ARG 3 -27.775 38.630 -13.347 19 HH12 ARG 3 HH12 ARG 3 -28.029 37.969 -14.928 20 HH21 ARG 3 HH21 ARG 3 -25.340 35.743 -14.744 21 HH22 ARG 3 HH22 ARG 3 -26.644 36.326 -15.721 22 H ARG 4 H ARG 4 -22.757 37.951 -7.732 23 HA ARG 4 HA ARG 4 -20.207 39.107 -8.054 24 HB2 ARG 4 HB2 ARG 4 -21.689 40.731 -6.508 25 HB3 ARG 4 HB3 ARG 4 -21.090 39.619 -5.268 26 HG2 ARG 4 HG2 ARG 4 -18.964 40.368 -5.403 27 HG3 ARG 4 HG3 ARG 4 -19.072 40.661 -7.147 28 HD2 ARG 4 HD2 ARG 4 -19.642 42.813 -6.869 29 HD3 ARG 4 HD3 ARG 4 -20.811 42.412 -5.603 30 HE ARG 4 HE ARG 4 -18.084 43.262 -5.239 31 HH11 ARG 4 HH11 ARG 4 -20.800 41.613 -3.816 32 HH12 ARG 4 HH12 ARG 4 -20.277 41.882 -2.186 33 HH21 ARG 4 HH21 ARG 4 -17.384 43.622 -3.098 34 HH22 ARG 4 HH22 ARG 4 -18.333 43.024 -1.779 35 H ALA 5 H ALA 5 -21.185 36.529 -8.154 36 HA ALA 5 HA ALA 5 -20.958 35.019 -5.812 37 HB1 ALA 5 HB1 ALA 5 -21.578 33.418 -7.214 38 HB2 ALA 5 HB2 ALA 5 -21.317 34.513 -8.573 39 HB3 ALA 5 HB3 ALA 5 -20.003 33.480 -8.008 40 H SER 6 H SER 6 -19.282 34.150 -4.712 41 HA SER 6 HA SER 6 -16.614 34.099 -5.824 42 HB2 SER 6 HB2 SER 6 -16.417 35.408 -3.249 43 HB3 SER 6 HB3 SER 6 -15.761 35.911 -4.816 44 HG SER 6 HG SER 6 -18.323 36.464 -3.745 45 H VAL 7 H VAL 7 -15.926 32.141 -5.300 46 HA VAL 7 HA VAL 7 -16.059 31.255 -2.533 47 HB VAL 7 HB VAL 7 -16.912 29.002 -3.198 48 HG11 VAL 7 HG11 VAL 7 -19.142 29.581 -2.921 49 HG12 VAL 7 HG12 VAL 7 -18.293 30.980 -2.260 50 HG13 VAL 7 HG13 VAL 7 -18.985 31.051 -3.882 51 HG21 VAL 7 HG21 VAL 7 -18.367 29.754 -5.519 52 HG22 VAL 7 HG22 VAL 7 -16.663 30.107 -5.802 53 HG23 VAL 7 HG23 VAL 7 -17.161 28.479 -5.342 54 H GLY 8 H GLY 8 -14.950 28.992 -2.386 55 HA2 GLY 8 HA2 GLY 8 -13.071 28.254 -4.375 56 HA3 GLY 8 HA3 GLY 8 -12.294 29.271 -3.172 57 H SER 9 H SER 9 -11.498 26.649 -3.623 58 HA SER 9 HA SER 9 -12.101 25.474 -1.013 59 HB2 SER 9 HB2 SER 9 -12.846 23.454 -1.785 60 HB3 SER 9 HB3 SER 9 -13.393 24.464 -3.136 61 HG SER 9 HG SER 9 -11.894 22.421 -3.380 62 H GLU 10 H GLU 10 -10.584 23.490 -0.682 63 HA GLU 10 HA GLU 10 -7.903 24.283 -1.609 64 HB2 GLU 10 HB2 GLU 10 -8.827 24.130 0.975 65 HB3 GLU 10 HB3 GLU 10 -8.032 22.563 0.761 66 HG2 GLU 10 HG2 GLU 10 -6.022 23.468 0.975 67 HG3 GLU 10 HG3 GLU 10 -6.376 24.655 -0.288 68 H PHE 11 H PHE 11 -6.379 22.192 -1.037 69 HA PHE 11 HA PHE 11 -7.506 19.672 -1.757 70 HB2 PHE 11 HB2 PHE 11 -6.949 21.379 -3.902 71 HB3 PHE 11 HB3 PHE 11 -5.577 20.270 -3.844 72 HD1 PHE 11 HD1 PHE 11 -9.209 20.504 -4.298 73 HD2 PHE 11 HD2 PHE 11 -5.809 17.943 -4.353 74 HE1 PHE 11 HE1 PHE 11 -10.538 18.768 -5.428 75 HE2 PHE 11 HE2 PHE 11 -7.131 16.205 -5.484 76 HZ PHE 11 HZ PHE 11 -9.499 16.616 -6.024 77 H MET 12 H MET 12 -6.327 18.265 -0.656 78 HA MET 12 HA MET 12 -3.623 18.950 0.153 79 HB2 MET 12 HB2 MET 12 -5.728 17.101 1.062 80 HB3 MET 12 HB3 MET 12 -4.083 16.458 1.179 81 HG2 MET 12 HG2 MET 12 -3.677 18.887 2.257 82 HG3 MET 12 HG3 MET 12 -5.374 18.642 2.681 83 HE1 MET 12 HE1 MET 12 -4.215 19.135 4.974 84 HE2 MET 12 HE2 MET 12 -5.492 17.986 5.377 85 HE3 MET 12 HE3 MET 12 -3.879 17.791 6.066 86 H VAL 13 H VAL 13 -2.148 16.835 0.270 87 HA VAL 13 HA VAL 13 -1.398 16.274 -2.390 88 HB VAL 13 HB VAL 13 0.245 14.756 -1.469 89 HG11 VAL 13 HG11 VAL 13 1.485 16.284 -0.192 90 HG12 VAL 13 HG12 VAL 13 0.437 17.289 -1.196 91 HG13 VAL 13 HG13 VAL 13 0.037 17.014 0.499 92 HG21 VAL 13 HG21 VAL 13 -1.138 13.575 0.131 93 HG22 VAL 13 HG22 VAL 13 0.286 14.229 0.940 94 HG23 VAL 13 HG23 VAL 13 -1.275 15.027 1.123 95 H VAL 14 H VAL 14 -1.072 13.986 -3.201 96 HA VAL 14 HA VAL 14 -3.208 12.154 -2.407 97 HB VAL 14 HB VAL 14 -3.829 11.774 -4.789 98 HG11 VAL 14 HG11 VAL 14 -4.285 14.625 -3.928 99 HG12 VAL 14 HG12 VAL 14 -5.332 13.623 -4.936 100 HG13 VAL 14 HG13 VAL 14 -5.122 13.241 -3.227 101 HG21 VAL 14 HG21 VAL 14 -3.261 13.523 -6.432 102 HG22 VAL 14 HG22 VAL 14 -2.186 14.264 -5.247 103 HG23 VAL 14 HG23 VAL 14 -1.840 12.648 -5.863 104 H ASP 15 H ASP 15 -2.590 10.078 -2.454 105 HA ASP 15 HA ASP 15 -1.315 8.216 -2.746 106 HB2 ASP 15 HB2 ASP 15 -1.567 9.295 -5.250 107 HB3 ASP 15 HB3 ASP 15 0.189 9.209 -5.073 108 H VAL 16 H VAL 16 0.900 7.399 -2.604 109 HA VAL 16 HA VAL 16 2.952 9.398 -2.037 110 HB VAL 16 HB VAL 16 2.398 7.217 -0.035 111 HG11 VAL 16 HG11 VAL 16 4.533 9.012 -0.441 112 HG12 VAL 16 HG12 VAL 16 3.674 9.554 1.002 113 HG13 VAL 16 HG13 VAL 16 4.288 7.902 0.906 114 HG21 VAL 16 HG21 VAL 16 1.371 10.045 -0.091 115 HG22 VAL 16 HG22 VAL 16 0.443 8.552 0.054 116 HG23 VAL 16 HG23 VAL 16 1.467 9.088 1.387 117 H THR 17 H THR 17 2.960 7.846 -4.240 118 HA THR 17 HA THR 17 4.132 6.293 -5.431 119 HB THR 17 HB THR 17 6.446 6.181 -5.039 120 HG1 THR 17 HG1 THR 17 6.910 5.551 -3.058 121 HG21 THR 17 HG21 THR 17 5.485 8.752 -3.776 122 HG22 THR 17 HG22 THR 17 5.707 8.460 -5.501 123 HG23 THR 17 HG23 THR 17 7.102 8.468 -4.420 124 H ILE 18 H ILE 18 5.794 4.244 -4.869 125 HA ILE 18 HA ILE 18 4.146 2.503 -3.156 126 HB ILE 18 HB ILE 18 5.952 1.551 -5.369 127 HG12 ILE 18 HG12 ILE 18 3.527 1.222 -6.450 128 HG13 ILE 18 HG13 ILE 18 3.196 2.670 -5.483 129 HG21 ILE 18 HG21 ILE 18 3.807 0.319 -3.679 130 HG22 ILE 18 HG22 ILE 18 4.246 -0.372 -5.240 131 HG23 ILE 18 HG23 ILE 18 5.457 -0.237 -3.965 132 HD11 ILE 18 HD11 ILE 18 5.434 3.498 -6.631 133 HD12 ILE 18 HD12 ILE 18 4.919 2.347 -7.864 134 HD13 ILE 18 HD13 ILE 18 3.856 3.675 -7.399 135 H GLU 19 H GLU 19 5.229 0.833 -1.957 136 HA GLU 19 HA GLU 19 8.004 0.562 -1.737 137 HB2 GLU 19 HB2 GLU 19 8.233 1.650 0.568 138 HB3 GLU 19 HB3 GLU 19 8.210 2.724 -0.839 139 HG2 GLU 19 HG2 GLU 19 5.881 3.270 -0.439 140 HG3 GLU 19 HG3 GLU 19 5.841 2.142 0.923 141 H ASP 20 H ASP 20 7.185 -1.587 -1.708 142 HA ASP 20 HA ASP 20 6.831 -2.614 0.946 143 HB2 ASP 20 HB2 ASP 20 4.667 -3.483 0.815 144 HB3 ASP 20 HB3 ASP 20 4.499 -1.869 0.112 145 H SER 21 H SER 21 5.991 -5.136 0.481 146 HA SER 21 HA SER 21 6.659 -7.183 -0.254 147 HB2 SER 21 HB2 SER 21 6.071 -7.129 -2.433 148 HB3 SER 21 HB3 SER 21 6.717 -5.493 -2.649 149 HG SER 21 HG SER 21 7.979 -6.830 -3.872 150 H TYR 22 H TYR 22 8.312 -7.883 0.942 151 HA TYR 22 HA TYR 22 11.011 -7.472 -0.037 152 HB2 TYR 22 HB2 TYR 22 9.989 -6.329 2.525 153 HB3 TYR 22 HB3 TYR 22 11.617 -7.009 2.516 154 HD1 TYR 22 HD2 TYR 22 13.390 -6.024 1.131 155 HD2 TYR 22 HD1 TYR 22 9.517 -4.273 1.339 156 HE1 TYR 22 HE2 TYR 22 14.284 -3.946 0.165 157 HE2 TYR 22 HE1 TYR 22 10.400 -2.191 0.372 158 HH TYR 22 HH TYR 22 13.591 -1.990 -0.957 159 H SER 23 H SER 23 9.721 -8.516 3.107 160 HA SER 23 HA SER 23 11.042 -11.105 2.703 161 HB2 SER 23 HB2 SER 23 10.949 -9.341 4.897 162 HB3 SER 23 HB3 SER 23 9.957 -10.736 5.357 163 HG SER 23 HG SER 23 11.670 -12.036 5.231 164 H THR 24 H THR 24 7.942 -9.608 3.236 165 HA THR 24 HA THR 24 6.485 -11.924 3.944 166 HB THR 24 HB THR 24 4.481 -10.658 3.394 167 HG1 THR 24 HG1 THR 24 5.004 -9.595 1.526 168 HG21 THR 24 HG21 THR 24 5.496 -10.111 5.506 169 HG22 THR 24 HG22 THR 24 4.909 -8.621 4.769 170 HG23 THR 24 HG23 THR 24 6.629 -9.008 4.727 171 H GLU 25 H GLU 25 7.896 -10.975 1.019 172 HA GLU 25 HA GLU 25 7.957 -11.984 -1.027 173 HB2 GLU 25 HB2 GLU 25 7.327 -14.039 0.601 174 HB3 GLU 25 HB3 GLU 25 5.867 -13.989 -0.400 175 HG2 GLU 25 HG2 GLU 25 7.830 -13.819 -2.289 176 HG3 GLU 25 HG3 GLU 25 8.578 -14.858 -1.066 177 H SER 26 H SER 26 4.594 -12.557 0.007 178 HA SER 26 HA SER 26 3.397 -11.914 -2.409 179 HB2 SER 26 HB2 SER 26 2.106 -11.350 0.265 180 HB3 SER 26 HB3 SER 26 1.330 -11.862 -1.245 181 HG SER 26 HG SER 26 1.641 -13.840 -0.646 182 H ALA 27 H ALA 27 2.461 -10.066 -3.261 183 HA ALA 27 HA ALA 27 3.242 -7.534 -1.968 184 HB1 ALA 27 HB1 ALA 27 3.955 -8.532 -4.532 185 HB2 ALA 27 HB2 ALA 27 2.921 -7.120 -4.750 186 HB3 ALA 27 HB3 ALA 27 4.392 -6.996 -3.785 187 H TRP 28 H TRP 28 1.880 -5.675 -2.527 188 HA TRP 28 HA TRP 28 -0.927 -6.500 -2.772 189 HB2 TRP 28 HB2 TRP 28 0.451 -4.174 -1.455 190 HB3 TRP 28 HB3 TRP 28 -1.247 -4.044 -1.916 191 HD1 TRP 28 HD1 TRP 28 0.857 -5.182 0.882 192 HE1 TRP 28 HE1 TRP 28 -0.537 -6.514 2.587 193 HE3 TRP 28 HE3 TRP 28 -3.352 -5.934 -1.920 194 HZ2 TRP 28 HZ2 TRP 28 -3.083 -7.724 2.726 195 HZ3 TRP 28 HZ3 TRP 28 -5.222 -7.189 -0.927 196 HH2 TRP 28 HH2 TRP 28 -5.087 -8.065 1.348 197 H VAL 29 H VAL 29 -2.062 -6.002 -4.530 198 HA VAL 29 HA VAL 29 -1.016 -3.908 -6.323 199 HB VAL 29 HB VAL 29 -2.148 -5.232 -8.175 200 HG11 VAL 29 HG11 VAL 29 -0.201 -6.409 -8.641 201 HG12 VAL 29 HG12 VAL 29 0.356 -5.150 -7.536 202 HG13 VAL 29 HG13 VAL 29 0.093 -6.791 -6.944 203 HG21 VAL 29 HG21 VAL 29 -2.600 -7.550 -7.833 204 HG22 VAL 29 HG22 VAL 29 -1.976 -7.489 -6.185 205 HG23 VAL 29 HG23 VAL 29 -3.474 -6.651 -6.592 206 H ARG 30 H ARG 30 -2.382 -2.330 -6.895 207 HA ARG 30 HA ARG 30 -5.154 -2.523 -5.956 208 HB2 ARG 30 HB2 ARG 30 -3.826 -0.629 -5.128 209 HB3 ARG 30 HB3 ARG 30 -3.549 -0.101 -6.794 210 HG2 ARG 30 HG2 ARG 30 -6.344 -0.365 -6.489 211 HG3 ARG 30 HG3 ARG 30 -5.737 0.492 -5.064 212 HD2 ARG 30 HD2 ARG 30 -6.325 2.068 -6.841 213 HD3 ARG 30 HD3 ARG 30 -4.588 2.097 -6.503 214 HE ARG 30 HE ARG 30 -5.336 0.332 -8.654 215 HH11 ARG 30 HH11 ARG 30 -4.433 3.575 -7.767 216 HH12 ARG 30 HH12 ARG 30 -3.862 3.988 -9.350 217 HH21 ARG 30 HH21 ARG 30 -4.587 0.864 -10.741 218 HH22 ARG 30 HH22 ARG 30 -3.951 2.445 -11.041 219 H CYS 31 H CYS 31 -6.883 -2.303 -7.298 220 HA CYS 31 HA CYS 31 -6.433 -2.762 -10.098 221 HB2 CYS 31 HB2 CYS 31 -8.266 -3.854 -8.826 222 HB3 CYS 31 HB3 CYS 31 -9.033 -2.278 -8.629 223 H ASP 32 H ASP 32 -6.682 -1.383 -11.778 224 HA ASP 32 HA ASP 32 -6.990 1.448 -11.113 225 HB2 ASP 32 HB2 ASP 32 -5.086 0.341 -12.580 226 HB3 ASP 32 HB3 ASP 32 -6.295 0.499 -13.861 227 H ASP 33 H ASP 33 -9.320 -0.170 -11.065 228 HA ASP 33 HA ASP 33 -10.895 1.245 -13.068 229 HB2 ASP 33 HB2 ASP 33 -10.187 -1.237 -13.729 230 HB3 ASP 33 HB3 ASP 33 -11.562 -1.636 -12.690 231 H CYS 34 H CYS 34 -10.891 -0.934 -10.276 232 HA CYS 34 HA CYS 34 -13.361 0.379 -9.348 233 HB2 CYS 34 HB2 CYS 34 -13.964 -1.642 -8.190 234 HB3 CYS 34 HB3 CYS 34 -13.612 -2.045 -9.871 235 H PHE 35 H PHE 35 -10.072 -0.121 -8.765 236 HA PHE 35 HA PHE 35 -8.671 0.515 -7.091 237 HB2 PHE 35 HB2 PHE 35 -11.049 1.936 -5.876 238 HB3 PHE 35 HB3 PHE 35 -9.340 2.299 -5.628 239 HD1 PHE 35 HD1 PHE 35 -7.994 2.868 -7.825 240 HD2 PHE 35 HD2 PHE 35 -12.211 3.235 -7.387 241 HE1 PHE 35 HE1 PHE 35 -8.042 4.485 -9.680 242 HE2 PHE 35 HE2 PHE 35 -12.267 4.851 -9.242 243 HZ PHE 35 HZ PHE 35 -10.181 5.477 -10.391 244 H LYS 36 H LYS 36 -8.691 -1.765 -6.495 245 HA LYS 36 HA LYS 36 -9.691 -2.115 -3.763 246 HB2 LYS 36 HB2 LYS 36 -11.272 -3.198 -5.368 247 HB3 LYS 36 HB3 LYS 36 -9.942 -4.239 -5.898 248 HG2 LYS 36 HG2 LYS 36 -10.501 -4.171 -2.988 249 HG3 LYS 36 HG3 LYS 36 -11.695 -4.968 -4.029 250 HD2 LYS 36 HD2 LYS 36 -8.737 -5.584 -4.110 251 HD3 LYS 36 HD3 LYS 36 -9.903 -6.474 -3.116 252 HE2 LYS 36 HE2 LYS 36 -11.132 -6.502 -5.566 253 HE3 LYS 36 HE3 LYS 36 -9.421 -6.584 -6.005 254 HZ1 LYS 36 HZ1 LYS 36 -9.574 -8.369 -3.997 255 HZ2 LYS 36 HZ2 LYS 36 -9.668 -8.761 -5.639 256 HZ3 LYS 36 HZ3 LYS 36 -11.084 -8.566 -4.734 257 H TRP 37 H TRP 37 -8.429 -3.427 -2.450 258 HA TRP 37 HA TRP 37 -5.694 -3.752 -3.337 259 HB2 TRP 37 HB2 TRP 37 -7.132 -3.890 -0.719 260 HB3 TRP 37 HB3 TRP 37 -5.579 -4.713 -0.864 261 HD1 TRP 37 HD1 TRP 37 -6.678 -1.667 0.488 262 HE1 TRP 37 HE1 TRP 37 -4.942 0.225 0.298 263 HE3 TRP 37 HE3 TRP 37 -3.650 -3.699 -3.096 264 HZ2 TRP 37 HZ2 TRP 37 -2.601 0.783 -1.177 265 HZ3 TRP 37 HZ3 TRP 37 -1.684 -2.421 -3.842 266 HH2 TRP 37 HH2 TRP 37 -1.172 -0.227 -2.901 267 H ARG 38 H ARG 38 -4.861 -5.565 -4.126 268 HA ARG 38 HA ARG 38 -6.195 -8.116 -3.500 269 HB2 ARG 38 HB2 ARG 38 -6.111 -6.911 -5.987 270 HB3 ARG 38 HB3 ARG 38 -4.773 -8.066 -6.051 271 HG2 ARG 38 HG2 ARG 38 -7.372 -9.049 -4.999 272 HG3 ARG 38 HG3 ARG 38 -7.243 -8.728 -6.736 273 HD2 ARG 38 HD2 ARG 38 -5.697 -10.393 -7.085 274 HD3 ARG 38 HD3 ARG 38 -5.069 -10.284 -5.434 275 HE ARG 38 HE ARG 38 -7.767 -11.283 -5.607 276 HH11 ARG 38 HH11 ARG 38 -4.381 -12.093 -5.632 277 HH12 ARG 38 HH12 ARG 38 -4.636 -13.733 -5.136 278 HH21 ARG 38 HH21 ARG 38 -8.116 -13.441 -4.955 279 HH22 ARG 38 HH22 ARG 38 -6.761 -14.499 -4.753 280 H ARG 39 H ARG 39 -4.918 -9.544 -2.537 281 HA ARG 39 HA ARG 39 -2.063 -9.043 -2.385 282 HB2 ARG 39 HB2 ARG 39 -3.688 -9.797 -0.473 283 HB3 ARG 39 HB3 ARG 39 -3.403 -11.413 -1.137 284 HG2 ARG 39 HG2 ARG 39 -0.855 -10.446 -0.941 285 HG3 ARG 39 HG3 ARG 39 -1.650 -9.704 0.457 286 HD2 ARG 39 HD2 ARG 39 -2.606 -12.210 0.691 287 HD3 ARG 39 HD3 ARG 39 -1.062 -12.546 -0.104 288 HE ARG 39 HE ARG 39 -0.742 -10.775 2.105 289 HH11 ARG 39 HH11 ARG 39 -1.170 -14.120 1.239 290 HH12 ARG 39 HH12 ARG 39 -0.387 -14.724 2.661 291 HH21 ARG 39 HH21 ARG 39 0.291 -11.558 3.982 292 HH22 ARG 39 HH22 ARG 39 0.443 -13.266 4.222 293 H ILE 40 H ILE 40 -0.737 -9.837 -3.869 294 HA ILE 40 HA ILE 40 -1.363 -12.463 -5.053 295 HB ILE 40 HB ILE 40 -0.451 -11.797 -7.135 296 HG12 ILE 40 HG12 ILE 40 0.422 -9.273 -5.713 297 HG13 ILE 40 HG13 ILE 40 1.470 -10.535 -6.383 298 HG21 ILE 40 HG21 ILE 40 -2.097 -9.482 -6.124 299 HG22 ILE 40 HG22 ILE 40 -1.896 -9.974 -7.805 300 HG23 ILE 40 HG23 ILE 40 -2.745 -11.028 -6.673 301 HD11 ILE 40 HD11 ILE 40 0.614 -9.975 -8.644 302 HD12 ILE 40 HD12 ILE 40 -0.257 -8.619 -7.927 303 HD13 ILE 40 HD13 ILE 40 1.504 -8.667 -7.865 304 HA PRO 41 HA PRO 41 2.548 -13.907 -3.668 305 HB2 PRO 41 HB2 PRO 41 3.152 -15.721 -5.631 306 HB3 PRO 41 HB3 PRO 41 1.903 -15.983 -4.412 307 HG2 PRO 41 HG2 PRO 41 1.633 -14.993 -7.230 308 HG3 PRO 41 HG3 PRO 41 0.650 -16.225 -6.356 309 HD2 PRO 41 HD2 PRO 41 -0.193 -13.673 -6.728 310 HD3 PRO 41 HD3 PRO 41 -0.595 -14.612 -5.280 311 H ALA 42 H ALA 42 4.795 -13.817 -4.060 312 HA ALA 42 HA ALA 42 5.655 -11.641 -5.647 313 HB1 ALA 42 HB1 ALA 42 7.742 -11.965 -4.727 314 HB2 ALA 42 HB2 ALA 42 6.703 -12.711 -3.513 315 HB3 ALA 42 HB3 ALA 42 7.566 -13.718 -4.676 316 H SER 43 H SER 43 4.980 -14.852 -6.447 317 HA SER 43 HA SER 43 6.921 -15.173 -8.533 318 HB2 SER 43 HB2 SER 43 5.100 -16.840 -7.182 319 HB3 SER 43 HB3 SER 43 4.584 -16.838 -8.878 320 HG SER 43 HG SER 43 6.399 -18.336 -7.999 321 H VAL 44 H VAL 44 3.560 -14.140 -8.337 322 HA VAL 44 HA VAL 44 3.419 -13.789 -11.229 323 HB VAL 44 HB VAL 44 1.491 -14.733 -9.898 324 HG11 VAL 44 HG11 VAL 44 0.055 -13.190 -8.699 325 HG12 VAL 44 HG12 VAL 44 1.671 -13.185 -7.993 326 HG13 VAL 44 HG13 VAL 44 1.160 -11.860 -9.039 327 HG21 VAL 44 HG21 VAL 44 1.401 -12.571 -11.893 328 HG22 VAL 44 HG22 VAL 44 0.687 -14.183 -11.931 329 HG23 VAL 44 HG23 VAL 44 -0.115 -12.885 -11.047 330 H VAL 45 H VAL 45 3.806 -11.936 -8.315 331 HA VAL 45 HA VAL 45 3.031 -9.402 -9.134 332 HB VAL 45 HB VAL 45 3.953 -10.241 -6.838 333 HG11 VAL 45 HG11 VAL 45 6.214 -9.874 -6.374 334 HG12 VAL 45 HG12 VAL 45 6.225 -10.689 -7.940 335 HG13 VAL 45 HG13 VAL 45 6.461 -8.943 -7.851 336 HG21 VAL 45 HG21 VAL 45 4.867 -7.695 -6.614 337 HG22 VAL 45 HG22 VAL 45 3.901 -7.582 -8.085 338 HG23 VAL 45 HG23 VAL 45 3.163 -8.149 -6.587 339 H GLY 46 H GLY 46 5.789 -11.281 -10.069 340 HA2 GLY 46 HA2 GLY 46 7.056 -8.950 -11.325 341 HA3 GLY 46 HA3 GLY 46 7.797 -10.527 -11.099 342 H SER 47 H SER 47 4.568 -10.449 -12.288 343 HA SER 47 HA SER 47 5.505 -10.756 -15.054 344 HB2 SER 47 HB2 SER 47 5.184 -13.005 -13.937 345 HB3 SER 47 HB3 SER 47 3.463 -12.601 -13.800 346 HG SER 47 HG SER 47 3.241 -12.692 -15.959 347 H ILE 48 H ILE 48 2.756 -10.302 -12.876 348 HA ILE 48 HA ILE 48 0.888 -9.553 -14.858 349 HB ILE 48 HB ILE 48 -0.365 -8.501 -12.951 350 HG12 ILE 48 HG12 ILE 48 1.114 -9.715 -10.829 351 HG13 ILE 48 HG13 ILE 48 2.204 -8.649 -11.733 352 HG21 ILE 48 HG21 ILE 48 0.422 -11.304 -13.240 353 HG22 ILE 48 HG22 ILE 48 -0.237 -10.897 -11.657 354 HG23 ILE 48 HG23 ILE 48 -1.182 -10.582 -13.113 355 HD11 ILE 48 HD11 ILE 48 0.309 -6.908 -11.516 356 HD12 ILE 48 HD12 ILE 48 -0.265 -7.950 -10.213 357 HD13 ILE 48 HD13 ILE 48 1.346 -7.237 -10.128 358 H ASP 49 H ASP 49 3.398 -7.820 -13.197 359 HA ASP 49 HA ASP 49 4.234 -5.719 -13.442 360 HB2 ASP 49 HB2 ASP 49 2.932 -6.312 -15.995 361 HB3 ASP 49 HB3 ASP 49 2.999 -4.580 -15.642 362 H GLU 50 H GLU 50 3.138 -5.085 -11.517 363 HA GLU 50 HA GLU 50 0.624 -3.629 -11.873 364 HB2 GLU 50 HB2 GLU 50 0.630 -3.528 -9.369 365 HB3 GLU 50 HB3 GLU 50 0.580 -5.165 -10.041 366 HG2 GLU 50 HG2 GLU 50 2.367 -5.729 -8.870 367 HG3 GLU 50 HG3 GLU 50 3.299 -4.461 -9.677 368 H SER 51 H SER 51 3.702 -2.896 -12.312 369 HA SER 51 HA SER 51 4.121 -0.604 -10.695 370 HB2 SER 51 HB2 SER 51 5.832 -2.013 -12.064 371 HB3 SER 51 HB3 SER 51 5.374 -0.949 -13.406 372 HG SER 51 HG SER 51 6.762 0.384 -12.575 373 H SER 52 H SER 52 3.375 -0.842 -14.178 374 HA SER 52 HA SER 52 2.701 1.931 -14.361 375 HB2 SER 52 HB2 SER 52 3.060 -0.305 -16.177 376 HB3 SER 52 HB3 SER 52 1.614 0.630 -16.593 377 HG SER 52 HG SER 52 2.957 2.520 -16.551 378 H ARG 53 H ARG 53 0.849 -1.089 -14.288 379 HA ARG 53 HA ARG 53 -1.357 0.056 -12.975 380 HB2 ARG 53 HB2 ARG 53 -2.991 0.287 -14.644 381 HB3 ARG 53 HB3 ARG 53 -1.552 1.067 -15.319 382 HG2 ARG 53 HG2 ARG 53 -1.292 -1.533 -16.187 383 HG3 ARG 53 HG3 ARG 53 -3.039 -1.241 -16.272 384 HD2 ARG 53 HD2 ARG 53 -1.133 0.808 -17.353 385 HD3 ARG 53 HD3 ARG 53 -1.511 -0.638 -18.299 386 HE ARG 53 HE ARG 53 -3.228 1.605 -17.826 387 HH11 ARG 53 HH11 ARG 53 -3.136 -1.802 -18.531 388 HH12 ARG 53 HH12 ARG 53 -4.700 -1.823 -19.279 389 HH21 ARG 53 HH21 ARG 53 -5.287 1.591 -18.808 390 HH22 ARG 53 HH22 ARG 53 -5.922 0.108 -19.436 391 H TRP 54 H TRP 54 -3.242 -1.468 -12.902 392 HA TRP 54 HA TRP 54 -2.935 -4.139 -13.835 393 HB2 TRP 54 HB2 TRP 54 -1.242 -4.255 -12.092 394 HB3 TRP 54 HB3 TRP 54 -2.379 -3.604 -10.911 395 HD1 TRP 54 HD1 TRP 54 -1.453 -6.844 -12.660 396 HE1 TRP 54 HE1 TRP 54 -2.752 -8.784 -11.577 397 HE3 TRP 54 HE3 TRP 54 -4.627 -4.142 -9.699 398 HZ2 TRP 54 HZ2 TRP 54 -4.846 -9.123 -9.715 399 HZ3 TRP 54 HZ3 TRP 54 -6.248 -5.351 -8.297 400 HH2 TRP 54 HH2 TRP 54 -6.355 -7.790 -8.308 401 H ILE 55 H ILE 55 -4.777 -5.395 -13.491 402 HA ILE 55 HA ILE 55 -6.963 -4.133 -11.985 403 HB ILE 55 HB ILE 55 -8.498 -5.009 -13.858 404 HG12 ILE 55 HG12 ILE 55 -5.841 -4.870 -15.307 405 HG13 ILE 55 HG13 ILE 55 -6.849 -6.309 -15.083 406 HG21 ILE 55 HG21 ILE 55 -8.417 -2.913 -14.993 407 HG22 ILE 55 HG22 ILE 55 -8.002 -2.621 -13.304 408 HG23 ILE 55 HG23 ILE 55 -6.734 -2.663 -14.529 409 HD11 ILE 55 HD11 ILE 55 -7.659 -5.858 -17.103 410 HD12 ILE 55 HD12 ILE 55 -8.574 -4.574 -16.311 411 HD13 ILE 55 HD13 ILE 55 -7.031 -4.210 -17.084 412 H CYS 56 H CYS 56 -8.833 -5.681 -11.696 413 HA CYS 56 HA CYS 56 -7.964 -7.996 -10.392 414 HB2 CYS 56 HB2 CYS 56 -10.738 -7.487 -11.487 415 HB3 CYS 56 HB3 CYS 56 -10.306 -8.565 -10.158 416 H MET 57 H MET 57 -9.605 -7.656 -13.533 417 HA MET 57 HA MET 57 -9.643 -10.366 -14.210 418 HB2 MET 57 HB2 MET 57 -9.856 -9.582 -16.561 419 HB3 MET 57 HB3 MET 57 -10.967 -8.774 -15.445 420 HG2 MET 57 HG2 MET 57 -8.732 -7.136 -15.435 421 HG3 MET 57 HG3 MET 57 -8.879 -7.659 -17.114 422 HE1 MET 57 HE1 MET 57 -10.246 -5.925 -14.157 423 HE2 MET 57 HE2 MET 57 -11.563 -4.904 -14.734 424 HE3 MET 57 HE3 MET 57 -11.862 -6.603 -14.366 425 H ASN 58 H ASN 58 -7.043 -8.131 -14.107 426 HA ASN 58 HA ASN 58 -5.352 -9.584 -15.942 427 HB2 ASN 58 HB2 ASN 58 -5.169 -7.092 -14.350 428 HB3 ASN 58 HB3 ASN 58 -3.642 -7.941 -14.626 429 HD21 ASN 58 HD21 ASN 58 -6.471 -7.688 -16.724 430 HD22 ASN 58 HD22 ASN 58 -5.651 -6.913 -18.032 431 H ASN 59 H ASN 59 -6.319 -10.017 -12.775 432 HA ASN 59 HA ASN 59 -3.984 -10.842 -11.474 433 HB2 ASN 59 HB2 ASN 59 -6.267 -10.440 -10.444 434 HB3 ASN 59 HB3 ASN 59 -6.724 -12.039 -11.044 435 HD21 ASN 59 HD21 ASN 59 -7.093 -12.493 -8.773 436 HD22 ASN 59 HD22 ASN 59 -5.764 -12.995 -7.789 437 H SER 60 H SER 60 -3.321 -13.036 -10.923 438 HA SER 60 HA SER 60 -3.182 -14.685 -13.277 439 HB2 SER 60 HB2 SER 60 -1.554 -14.261 -11.044 440 HB3 SER 60 HB3 SER 60 -2.138 -15.925 -10.865 441 HG SER 60 HG SER 60 -0.750 -16.446 -12.337 442 H ASP 61 H ASP 61 -5.051 -14.602 -10.379 443 HA ASP 61 HA ASP 61 -5.808 -17.331 -10.275 444 HB2 ASP 61 HB2 ASP 61 -6.100 -15.293 -8.567 445 HB3 ASP 61 HB3 ASP 61 -7.699 -15.238 -9.321 446 H LYS 62 H LYS 62 -8.219 -17.934 -10.484 447 HA LYS 62 HA LYS 62 -9.249 -16.851 -13.026 448 HB2 LYS 62 HB2 LYS 62 -10.283 -19.260 -13.179 449 HB3 LYS 62 HB3 LYS 62 -8.609 -18.968 -13.678 450 HG2 LYS 62 HG2 LYS 62 -8.739 -20.998 -12.373 451 HG3 LYS 62 HG3 LYS 62 -7.827 -19.760 -11.492 452 HD2 LYS 62 HD2 LYS 62 -9.491 -19.431 -9.925 453 HD3 LYS 62 HD3 LYS 62 -10.763 -20.012 -11.015 454 HE2 LYS 62 HE2 LYS 62 -8.614 -21.871 -10.025 455 HE3 LYS 62 HE3 LYS 62 -10.038 -21.508 -9.037 456 HZ1 LYS 62 HZ1 LYS 62 -9.839 -23.049 -11.502 457 HZ2 LYS 62 HZ2 LYS 62 -11.229 -22.103 -11.315 458 HZ3 LYS 62 HZ3 LYS 62 -10.843 -23.277 -10.160 459 H ARG 63 H ARG 63 -9.846 -17.440 -9.752 460 HA ARG 63 HA ARG 63 -12.756 -17.239 -10.137 461 HB2 ARG 63 HB2 ARG 63 -11.199 -18.897 -8.473 462 HB3 ARG 63 HB3 ARG 63 -11.985 -17.725 -7.405 463 HG2 ARG 63 HG2 ARG 63 -13.738 -19.099 -7.428 464 HG3 ARG 63 HG3 ARG 63 -14.033 -18.484 -9.063 465 HD2 ARG 63 HD2 ARG 63 -13.850 -20.604 -9.759 466 HD3 ARG 63 HD3 ARG 63 -12.116 -20.426 -9.457 467 HE ARG 63 HE ARG 63 -13.081 -21.144 -7.036 468 HH11 ARG 63 HH11 ARG 63 -13.417 -22.477 -10.233 469 HH12 ARG 63 HH12 ARG 63 -13.588 -24.108 -9.676 470 HH21 ARG 63 HH21 ARG 63 -13.305 -23.288 -6.289 471 HH22 ARG 63 HH22 ARG 63 -13.526 -24.568 -7.433 472 H PHE 64 H PHE 64 -9.963 -15.625 -8.928 473 HA PHE 64 HA PHE 64 -11.671 -13.506 -7.798 474 HB2 PHE 64 HB2 PHE 64 -9.037 -14.628 -6.940 475 HB3 PHE 64 HB3 PHE 64 -9.340 -12.912 -6.665 476 HD1 PHE 64 HD1 PHE 64 -11.260 -16.092 -6.266 477 HD2 PHE 64 HD2 PHE 64 -10.083 -12.368 -4.574 478 HE1 PHE 64 HE1 PHE 64 -12.529 -16.622 -4.227 479 HE2 PHE 64 HE2 PHE 64 -11.351 -12.892 -2.531 480 HZ PHE 64 HZ PHE 64 -12.576 -15.022 -2.355 481 H ALA 65 H ALA 65 -10.434 -14.101 -10.571 482 HA ALA 65 HA ALA 65 -8.923 -11.610 -10.922 483 HB1 ALA 65 HB1 ALA 65 -8.290 -12.527 -13.114 484 HB2 ALA 65 HB2 ALA 65 -7.846 -13.602 -11.787 485 HB3 ALA 65 HB3 ALA 65 -9.259 -13.962 -12.778 486 H ASP 66 H ASP 66 -11.034 -10.474 -10.599 487 HA ASP 66 HA ASP 66 -12.008 -9.481 -13.021 488 HB2 ASP 66 HB2 ASP 66 -13.394 -11.858 -12.005 489 HB3 ASP 66 HB3 ASP 66 -14.470 -10.481 -12.277 490 H CYS 67 H CYS 67 -13.225 -7.644 -12.725 491 HA CYS 67 HA CYS 67 -13.139 -6.432 -10.176 492 HB2 CYS 67 HB2 CYS 67 -14.297 -5.719 -12.839 493 HB3 CYS 67 HB3 CYS 67 -14.804 -4.791 -11.427 494 H SER 68 H SER 68 -15.479 -8.420 -11.737 495 HA SER 68 HA SER 68 -17.772 -7.584 -10.285 496 HB2 SER 68 HB2 SER 68 -17.130 -9.554 -12.284 497 HB3 SER 68 HB3 SER 68 -18.075 -10.310 -10.989 498 HG SER 68 HG SER 68 -18.843 -8.456 -12.860 499 H LYS 69 H LYS 69 -15.112 -9.678 -9.570 500 HA LYS 69 HA LYS 69 -16.302 -11.224 -7.527 501 HB2 LYS 69 HB2 LYS 69 -13.397 -10.420 -7.813 502 HB3 LYS 69 HB3 LYS 69 -14.025 -11.777 -6.865 503 HG2 LYS 69 HG2 LYS 69 -14.106 -11.490 -9.869 504 HG3 LYS 69 HG3 LYS 69 -13.088 -12.593 -8.925 505 HD2 LYS 69 HD2 LYS 69 -15.071 -13.760 -8.100 506 HD3 LYS 69 HD3 LYS 69 -16.106 -12.639 -9.001 507 HE2 LYS 69 HE2 LYS 69 -15.513 -13.524 -11.066 508 HE3 LYS 69 HE3 LYS 69 -13.995 -14.187 -10.444 509 HZ1 LYS 69 HZ1 LYS 69 -16.491 -15.248 -9.345 510 HZ2 LYS 69 HZ2 LYS 69 -15.017 -16.028 -9.626 511 HZ3 LYS 69 HZ3 LYS 69 -16.064 -15.710 -10.916 512 H SER 70 H SER 70 -14.841 -10.995 -5.274 513 HA SER 70 HA SER 70 -15.606 -8.334 -4.272 514 HB2 SER 70 HB2 SER 70 -15.304 -10.944 -2.750 515 HB3 SER 70 HB3 SER 70 -15.808 -9.392 -2.058 516 HG SER 70 HG SER 70 -17.488 -9.593 -3.888 517 H GLN 71 H GLN 71 -14.302 -7.843 -2.140 518 HA GLN 71 HA GLN 71 -11.572 -7.559 -2.953 519 HB2 GLN 71 HB2 GLN 71 -12.544 -5.734 -1.771 520 HB3 GLN 71 HB3 GLN 71 -13.062 -6.789 -0.446 521 HG2 GLN 71 HG2 GLN 71 -11.015 -6.833 0.530 522 HG3 GLN 71 HG3 GLN 71 -10.163 -6.669 -1.011 523 HE21 GLN 71 HE21 GLN 71 -8.828 -5.072 -0.108 524 HE22 GLN 71 HE22 GLN 71 -9.393 -3.457 0.137 525 H GLU 72 H GLU 72 -9.722 -8.389 -1.954 526 HA GLU 72 HA GLU 72 -9.962 -11.071 -1.025 527 HB2 GLU 72 HB2 GLU 72 -7.719 -9.168 -1.537 528 HB3 GLU 72 HB3 GLU 72 -7.400 -10.586 -0.526 529 HG2 GLU 72 HG2 GLU 72 -8.840 -11.212 -2.994 530 HG3 GLU 72 HG3 GLU 72 -7.239 -10.505 -3.251 531 H MET 73 H MET 73 -8.735 -8.106 0.533 532 HA MET 73 HA MET 73 -9.585 -9.217 3.116 533 HB2 MET 73 HB2 MET 73 -6.895 -8.105 2.365 534 HB3 MET 73 HB3 MET 73 -7.478 -7.992 4.033 535 HG2 MET 73 HG2 MET 73 -7.931 -10.587 3.655 536 HG3 MET 73 HG3 MET 73 -6.633 -10.365 2.478 537 HE1 MET 73 HE1 MET 73 -3.855 -8.763 4.613 538 HE2 MET 73 HE2 MET 73 -4.979 -8.321 3.328 539 HE3 MET 73 HE3 MET 73 -5.263 -7.765 4.977 540 H SER 74 H SER 74 -10.247 -7.707 4.661 541 HA SER 74 HA SER 74 -11.523 -5.411 3.683 542 HB2 SER 74 HB2 SER 74 -10.882 -6.422 6.446 543 HB3 SER 74 HB3 SER 74 -11.623 -4.828 6.221 544 HG SER 74 HG SER 74 -13.429 -5.737 5.485 545 H ASN 75 H ASN 75 -11.156 -3.169 4.360 546 HA ASN 75 HA ASN 75 -8.613 -2.251 3.660 547 HB2 ASN 75 HB2 ASN 75 -11.144 -1.110 4.389 548 HB3 ASN 75 HB3 ASN 75 -9.855 -0.254 5.245 549 HD21 ASN 75 HD21 ASN 75 -9.859 -1.763 2.048 550 HD22 ASN 75 HD22 ASN 75 -9.474 -0.322 1.175 551 H GLU 76 H GLU 76 -10.079 -2.777 6.830 552 HA GLU 76 HA GLU 76 -8.077 -1.610 8.401 553 HB2 GLU 76 HB2 GLU 76 -8.914 -3.142 10.208 554 HB3 GLU 76 HB3 GLU 76 -10.162 -2.166 9.419 555 HG2 GLU 76 HG2 GLU 76 -10.252 -4.395 7.889 556 HG3 GLU 76 HG3 GLU 76 -9.779 -5.078 9.451 557 H GLU 77 H GLU 77 -8.486 -4.992 7.368 558 HA GLU 77 HA GLU 77 -6.217 -6.033 8.618 559 HB2 GLU 77 HB2 GLU 77 -7.717 -6.862 6.135 560 HB3 GLU 77 HB3 GLU 77 -6.342 -7.784 6.759 561 HG2 GLU 77 HG2 GLU 77 -7.794 -7.600 9.008 562 HG3 GLU 77 HG3 GLU 77 -9.088 -7.540 7.802 563 H ILE 78 H ILE 78 -6.608 -4.641 5.381 564 HA ILE 78 HA ILE 78 -3.963 -5.107 4.514 565 HB ILE 78 HB ILE 78 -5.863 -2.938 3.616 566 HG12 ILE 78 HG12 ILE 78 -5.370 -5.495 2.135 567 HG13 ILE 78 HG13 ILE 78 -6.504 -5.487 3.496 568 HG21 ILE 78 HG21 ILE 78 -3.684 -2.387 2.864 569 HG22 ILE 78 HG22 ILE 78 -3.344 -4.056 2.412 570 HG23 ILE 78 HG23 ILE 78 -4.518 -3.116 1.491 571 HD11 ILE 78 HD11 ILE 78 -8.081 -4.376 2.357 572 HD12 ILE 78 HD12 ILE 78 -6.911 -3.339 1.541 573 HD13 ILE 78 HD13 ILE 78 -7.206 -4.973 0.948 574 H ASN 79 H ASN 79 -5.508 -2.185 5.842 575 HA ASN 79 HA ASN 79 -3.331 -0.482 5.791 576 HB2 ASN 79 HB2 ASN 79 -4.887 0.868 6.642 577 HB3 ASN 79 HB3 ASN 79 -5.914 -0.523 7.014 578 HD21 ASN 79 HD21 ASN 79 -5.961 -1.357 9.071 579 HD22 ASN 79 HD22 ASN 79 -5.254 -0.551 10.426 580 H GLU 80 H GLU 80 -4.249 -2.829 8.284 581 HA GLU 80 HA GLU 80 -2.041 -2.173 9.988 582 HB2 GLU 80 HB2 GLU 80 -2.774 -3.972 11.384 583 HB3 GLU 80 HB3 GLU 80 -4.214 -3.131 10.789 584 HG2 GLU 80 HG2 GLU 80 -4.708 -4.852 9.237 585 HG3 GLU 80 HG3 GLU 80 -3.135 -5.619 9.501 586 H GLU 81 H GLU 81 -2.609 -4.397 7.378 587 HA GLU 81 HA GLU 81 -0.535 -6.228 7.881 588 HB2 GLU 81 HB2 GLU 81 -2.264 -6.759 6.292 589 HB3 GLU 81 HB3 GLU 81 -1.826 -5.366 5.291 590 HG2 GLU 81 HG2 GLU 81 -1.007 -7.392 4.276 591 HG3 GLU 81 HG3 GLU 81 0.348 -6.394 4.821 592 H LEU 82 H LEU 82 -0.609 -3.367 5.757 593 HA LEU 82 HA LEU 82 2.244 -3.528 5.314 594 HB2 LEU 82 HB2 LEU 82 0.376 -1.298 4.514 595 HB3 LEU 82 HB3 LEU 82 1.963 -1.687 3.829 596 HG LEU 82 HG LEU 82 0.461 -3.986 3.410 597 HD11 LEU 82 HD11 LEU 82 -1.320 -1.776 3.724 598 HD12 LEU 82 HD12 LEU 82 -1.686 -3.454 3.322 599 HD13 LEU 82 HD13 LEU 82 -1.327 -2.298 2.039 600 HD21 LEU 82 HD21 LEU 82 1.633 -1.803 1.841 601 HD22 LEU 82 HD22 LEU 82 0.334 -2.676 1.030 602 HD23 LEU 82 HD23 LEU 82 1.747 -3.550 1.624 603 H GLY 83 H GLY 83 0.021 -1.752 7.325 604 HA2 GLY 83 HA2 GLY 83 0.620 -0.676 9.329 605 HA3 GLY 83 HA3 GLY 83 2.288 -0.627 8.779 606 H ILE 84 H ILE 84 -0.518 0.458 6.945 607 HA ILE 84 HA ILE 84 0.642 3.158 6.931 608 HB ILE 84 HB ILE 84 -0.658 3.564 4.906 609 HG12 ILE 84 HG12 ILE 84 -1.514 0.668 5.126 610 HG13 ILE 84 HG13 ILE 84 -2.554 2.051 5.507 611 HG21 ILE 84 HG21 ILE 84 1.388 1.522 5.164 612 HG22 ILE 84 HG22 ILE 84 0.400 1.307 3.719 613 HG23 ILE 84 HG23 ILE 84 1.240 2.833 3.994 614 HD11 ILE 84 HD11 ILE 84 -2.803 2.659 3.314 615 HD12 ILE 84 HD12 ILE 84 -1.287 1.906 2.819 616 HD13 ILE 84 HD13 ILE 84 -2.695 0.904 3.172 617 H GLY 85 H GLY 85 -1.367 4.758 6.264 618 HA2 GLY 85 HA2 GLY 85 -3.340 4.391 8.434 619 HA3 GLY 85 HA3 GLY 85 -2.656 5.952 8.007 620 H GLN 86 H GLN 86 -4.374 3.254 6.427 621 HA GLN 86 HA GLN 86 -5.402 4.653 4.276 622 HB2 GLN 86 HB2 GLN 86 -6.053 2.162 5.696 623 HB3 GLN 86 HB3 GLN 86 -7.418 2.884 4.829 624 HG2 GLN 86 HG2 GLN 86 -6.414 2.653 2.754 625 HG3 GLN 86 HG3 GLN 86 -4.793 2.527 3.452 626 HE21 GLN 86 HE21 GLN 86 -4.465 0.648 2.190 627 HE22 GLN 86 HE22 GLN 86 -5.128 -0.872 2.672 628 H ASP 87 H ASP 87 -7.261 5.816 3.879 629 HA ASP 87 HA ASP 87 -8.389 7.167 6.175 630 HB2 ASP 87 HB2 ASP 87 -8.623 7.521 3.191 631 HB3 ASP 87 HB3 ASP 87 -9.692 8.387 4.301 632 H GLU 88 H GLU 88 -9.440 5.237 7.043 633 HA GLU 88 HA GLU 88 -11.590 4.007 5.614 634 HB2 GLU 88 HB2 GLU 88 -12.035 2.794 7.639 635 HB3 GLU 88 HB3 GLU 88 -10.283 2.874 7.408 636 HG2 GLU 88 HG2 GLU 88 -10.396 4.939 8.960 637 HG3 GLU 88 HG3 GLU 88 -11.982 4.297 9.411 638 H ALA 89 H ALA 89 -11.280 6.691 7.821 639 HA ALA 89 HA ALA 89 -12.740 8.308 8.483 640 HB1 ALA 89 HB1 ALA 89 -14.980 7.625 6.768 641 HB2 ALA 89 HB2 ALA 89 -14.007 9.095 6.829 642 HB3 ALA 89 HB3 ALA 89 -13.457 7.711 5.884 643 H ASP 90 H ASP 90 -14.868 8.657 9.536 644 HA ASP 90 HA ASP 90 -16.630 6.552 10.138 645 HB2 ASP 90 HB2 ASP 90 -14.198 6.348 11.527 646 HB3 ASP 90 HB3 ASP 90 -15.351 7.011 12.694 647 H ALA 91 H ALA 91 -15.114 9.100 12.125 648 HA ALA 91 HA ALA 91 -17.282 10.911 11.821 649 HB1 ALA 91 HB1 ALA 91 -18.200 10.813 14.076 650 HB2 ALA 91 HB2 ALA 91 -18.416 9.273 13.240 651 HB3 ALA 91 HB3 ALA 91 -17.149 9.448 14.455 652 H TYR 92 H TYR 92 -15.878 12.569 11.586 653 HA TYR 92 HA TYR 92 -14.153 13.187 13.892 654 HB2 TYR 92 HB2 TYR 92 -12.587 14.271 12.222 655 HB3 TYR 92 HB3 TYR 92 -12.650 12.507 12.180 656 HD1 TYR 92 HD2 TYR 92 -14.147 15.486 10.508 657 HD2 TYR 92 HD1 TYR 92 -12.996 11.403 10.166 658 HE1 TYR 92 HE2 TYR 92 -14.677 15.543 8.107 659 HE2 TYR 92 HE1 TYR 92 -13.522 11.449 7.765 660 HH TYR 92 HH TYR 92 -15.214 13.004 6.280 661 H ASP 93 H ASP 93 -13.306 15.636 13.396 662 HA ASP 93 HA ASP 93 -15.320 17.380 12.347 663 HB2 ASP 93 HB2 ASP 93 -15.661 16.528 15.010 664 HB3 ASP 93 HB3 ASP 93 -15.024 18.176 15.105 665 H CYS 94 H CYS 94 -14.757 19.743 13.391 666 HA CYS 94 HA CYS 94 -12.255 20.413 12.323 667 HB2 CYS 94 HB2 CYS 94 -14.390 21.798 13.825 668 HB3 CYS 94 HB3 CYS 94 -12.788 22.522 13.962 669 H ASP 95 H ASP 95 -10.354 21.207 13.349 670 HA ASP 95 HA ASP 95 -8.622 21.087 14.819 671 HB2 ASP 95 HB2 ASP 95 -10.631 20.784 17.048 672 HB3 ASP 95 HB3 ASP 95 -9.049 21.573 17.087 673 H ALA 96 H ALA 96 -9.829 18.635 13.707 674 HA ALA 96 HA ALA 96 -9.948 16.537 15.527 675 HB1 ALA 96 HB1 ALA 96 -8.718 15.646 13.096 676 HB2 ALA 96 HB2 ALA 96 -10.362 15.380 13.679 677 HB3 ALA 96 HB3 ALA 96 -9.983 16.821 12.733 678 H ALA 97 H ALA 97 -7.215 18.283 14.309 679 HA ALA 97 HA ALA 97 -5.143 16.481 14.635 680 HB1 ALA 97 HB1 ALA 97 -4.130 18.306 13.863 681 HB2 ALA 97 HB2 ALA 97 -5.418 19.354 14.456 682 HB3 ALA 97 HB3 ALA 97 -4.095 18.890 15.526 683 H LYS 98 H LYS 98 -7.012 18.159 17.046 684 HA LYS 98 HA LYS 98 -5.659 16.618 19.127 685 HB2 LYS 98 HB2 LYS 98 -5.444 18.544 20.604 686 HB3 LYS 98 HB3 LYS 98 -4.538 18.805 19.105 687 HG2 LYS 98 HG2 LYS 98 -7.326 19.822 19.199 688 HG3 LYS 98 HG3 LYS 98 -6.105 20.666 20.167 689 HD2 LYS 98 HD2 LYS 98 -4.692 20.911 18.159 690 HD3 LYS 98 HD3 LYS 98 -5.957 20.119 17.202 691 HE2 LYS 98 HE2 LYS 98 -6.607 22.254 16.807 692 HE3 LYS 98 HE3 LYS 98 -7.426 22.041 18.363 693 HZ1 LYS 98 HZ1 LYS 98 -4.732 22.868 18.735 694 HZ2 LYS 98 HZ2 LYS 98 -6.158 23.595 19.278 695 HZ3 LYS 98 HZ3 LYS 98 -5.559 23.957 17.738 696 H ARG 99 H ARG 99 -6.902 17.443 21.342 697 HA ARG 99 HA ARG 99 -9.498 16.348 21.087 698 HB2 ARG 99 HB2 ARG 99 -8.155 17.835 23.354 699 HB3 ARG 99 HB3 ARG 99 -9.747 17.073 23.485 700 HG2 ARG 99 HG2 ARG 99 -8.104 15.071 22.460 701 HG3 ARG 99 HG3 ARG 99 -7.124 15.893 23.685 702 HD2 ARG 99 HD2 ARG 99 -8.186 14.603 25.181 703 HD3 ARG 99 HD3 ARG 99 -9.564 15.682 24.921 704 HE ARG 99 HE ARG 99 -9.668 13.714 22.955 705 HH11 ARG 99 HH11 ARG 99 -9.903 13.964 26.419 706 HH12 ARG 99 HH12 ARG 99 -10.953 12.595 26.578 707 HH21 ARG 99 HH21 ARG 99 -11.050 11.911 23.151 708 HH22 ARG 99 HH22 ARG 99 -11.604 11.427 24.718 709 H GLY 100 H GLY 100 -8.274 19.640 21.261 710 HA2 GLY 100 HA2 GLY 100 -9.309 21.587 20.546 711 HA3 GLY 100 HA3 GLY 100 -10.752 20.650 20.189 Start of MODEL 8 1 H1 GLY 1 H GLY 1 21.777 -38.534 24.131 2 HA2 GLY 1 HA2 GLY 1 22.330 -39.993 21.624 3 HA3 GLY 1 HA3 GLY 1 21.700 -38.353 21.610 4 H SER 2 H SER 2 23.894 -38.614 20.219 5 HA SER 2 HA SER 2 25.803 -37.015 21.638 6 HB2 SER 2 HB2 SER 2 27.605 -38.879 20.772 7 HB3 SER 2 HB3 SER 2 27.001 -38.765 22.433 8 HG SER 2 HG SER 2 25.981 -40.579 22.172 9 H ARG 3 H ARG 3 25.673 -35.495 20.057 10 HA ARG 3 HA ARG 3 25.940 -36.235 17.268 11 HB2 ARG 3 HB2 ARG 3 25.646 -33.546 18.626 12 HB3 ARG 3 HB3 ARG 3 25.709 -33.782 16.873 13 HG2 ARG 3 HG2 ARG 3 23.521 -34.101 16.833 14 HG3 ARG 3 HG3 ARG 3 23.721 -35.519 17.876 15 HD2 ARG 3 HD2 ARG 3 23.582 -34.118 19.868 16 HD3 ARG 3 HD3 ARG 3 23.459 -32.676 18.849 17 HE ARG 3 HE ARG 3 21.388 -34.320 18.071 18 HH11 ARG 3 HH11 ARG 3 22.417 -32.751 21.003 19 HH12 ARG 3 HH12 ARG 3 20.811 -32.583 21.631 20 HH21 ARG 3 HH21 ARG 3 19.269 -34.103 18.886 21 HH22 ARG 3 HH22 ARG 3 19.022 -33.353 20.426 22 H ARG 4 H ARG 4 27.679 -35.837 15.963 23 HA ARG 4 HA ARG 4 29.963 -34.360 16.952 24 HB2 ARG 4 HB2 ARG 4 31.553 -36.188 16.697 25 HB3 ARG 4 HB3 ARG 4 30.324 -36.597 17.905 26 HG2 ARG 4 HG2 ARG 4 29.339 -37.542 15.444 27 HG3 ARG 4 HG3 ARG 4 31.049 -37.999 15.520 28 HD2 ARG 4 HD2 ARG 4 30.754 -39.164 17.575 29 HD3 ARG 4 HD3 ARG 4 29.135 -38.481 17.790 30 HE ARG 4 HE ARG 4 28.302 -40.140 16.460 31 HH11 ARG 4 HH11 ARG 4 31.736 -39.898 15.939 32 HH12 ARG 4 HH12 ARG 4 31.814 -41.304 14.929 33 HH21 ARG 4 HH21 ARG 4 28.392 -41.994 15.133 34 HH22 ARG 4 HH22 ARG 4 29.911 -42.495 14.471 35 H ALA 5 H ALA 5 28.169 -33.963 14.792 36 HA ALA 5 HA ALA 5 30.093 -33.862 12.618 37 HB1 ALA 5 HB1 ALA 5 27.570 -35.466 12.502 38 HB2 ALA 5 HB2 ALA 5 28.234 -34.730 11.043 39 HB3 ALA 5 HB3 ALA 5 29.193 -35.893 11.959 40 H SER 6 H SER 6 30.091 -31.720 12.318 41 HA SER 6 HA SER 6 27.650 -30.447 11.417 42 HB2 SER 6 HB2 SER 6 28.929 -28.689 13.352 43 HB3 SER 6 HB3 SER 6 27.226 -29.163 13.211 44 HG SER 6 HG SER 6 28.244 -29.844 15.191 45 H VAL 7 H VAL 7 28.304 -29.632 9.543 46 HA VAL 7 HA VAL 7 30.559 -27.794 9.506 47 HB VAL 7 HB VAL 7 31.512 -28.841 7.455 48 HG11 VAL 7 HG11 VAL 7 32.691 -30.652 8.634 49 HG12 VAL 7 HG12 VAL 7 32.577 -29.185 9.608 50 HG13 VAL 7 HG13 VAL 7 31.511 -30.550 9.940 51 HG21 VAL 7 HG21 VAL 7 29.372 -30.150 6.996 52 HG22 VAL 7 HG22 VAL 7 30.899 -30.990 6.732 53 HG23 VAL 7 HG23 VAL 7 29.960 -31.306 8.191 54 H GLY 8 H GLY 8 30.739 -26.729 7.294 55 HA2 GLY 8 HA2 GLY 8 28.468 -26.791 5.559 56 HA3 GLY 8 HA3 GLY 8 28.413 -25.409 6.641 57 H SER 9 H SER 9 28.606 -23.957 4.909 58 HA SER 9 HA SER 9 31.358 -23.545 4.054 59 HB2 SER 9 HB2 SER 9 31.082 -23.865 1.827 60 HB3 SER 9 HB3 SER 9 29.725 -24.886 2.338 61 HG SER 9 HG SER 9 28.473 -23.549 1.333 62 H GLU 10 H GLU 10 31.824 -21.407 3.466 63 HA GLU 10 HA GLU 10 29.719 -19.477 4.186 64 HB2 GLU 10 HB2 GLU 10 32.251 -19.801 5.270 65 HB3 GLU 10 HB3 GLU 10 32.442 -18.435 4.160 66 HG2 GLU 10 HG2 GLU 10 30.394 -17.421 5.268 67 HG3 GLU 10 HG3 GLU 10 30.588 -18.670 6.507 68 H PHE 11 H PHE 11 29.064 -18.044 2.715 69 HA PHE 11 HA PHE 11 30.731 -17.027 0.644 70 HB2 PHE 11 HB2 PHE 11 29.257 -19.452 0.105 71 HB3 PHE 11 HB3 PHE 11 28.678 -18.144 -0.926 72 HD1 PHE 11 HD2 PHE 11 30.403 -16.814 -2.261 73 HD2 PHE 11 HD1 PHE 11 31.233 -20.571 -0.440 74 HE1 PHE 11 HE2 PHE 11 32.329 -17.113 -3.763 75 HE2 PHE 11 HE1 PHE 11 33.160 -20.875 -1.939 76 HZ PHE 11 HZ PHE 11 33.710 -19.146 -3.604 77 H MET 12 H MET 12 29.661 -15.419 -0.660 78 HA MET 12 HA MET 12 27.154 -14.464 0.560 79 HB2 MET 12 HB2 MET 12 27.849 -12.222 0.244 80 HB3 MET 12 HB3 MET 12 29.236 -13.072 0.942 81 HG2 MET 12 HG2 MET 12 29.774 -13.384 -1.686 82 HG3 MET 12 HG3 MET 12 28.911 -11.845 -1.712 83 HE1 MET 12 HE1 MET 12 29.636 -9.703 -0.625 84 HE2 MET 12 HE2 MET 12 31.357 -9.320 -0.624 85 HE3 MET 12 HE3 MET 12 30.585 -9.910 -2.097 86 H VAL 13 H VAL 13 26.427 -12.526 -1.189 87 HA VAL 13 HA VAL 13 26.313 -13.772 -3.840 88 HB VAL 13 HB VAL 13 23.891 -13.384 -3.996 89 HG11 VAL 13 HG11 VAL 13 24.225 -15.047 -1.545 90 HG12 VAL 13 HG12 VAL 13 23.295 -15.370 -3.010 91 HG13 VAL 13 HG13 VAL 13 25.052 -15.530 -3.026 92 HG21 VAL 13 HG21 VAL 13 22.898 -13.188 -1.489 93 HG22 VAL 13 HG22 VAL 13 24.341 -12.185 -1.345 94 HG23 VAL 13 HG23 VAL 13 23.129 -11.813 -2.570 95 H VAL 14 H VAL 14 24.830 -12.168 -5.262 96 HA VAL 14 HA VAL 14 25.594 -9.399 -4.663 97 HB VAL 14 HB VAL 14 26.281 -9.046 -7.007 98 HG11 VAL 14 HG11 VAL 14 28.036 -9.370 -5.441 99 HG12 VAL 14 HG12 VAL 14 27.785 -11.117 -5.422 100 HG13 VAL 14 HG13 VAL 14 28.438 -10.334 -6.862 101 HG21 VAL 14 HG21 VAL 14 25.984 -12.041 -7.204 102 HG22 VAL 14 HG22 VAL 14 25.065 -10.824 -8.091 103 HG23 VAL 14 HG23 VAL 14 26.789 -11.030 -8.406 104 H ASP 15 H ASP 15 24.114 -7.893 -5.240 105 HA ASP 15 HA ASP 15 22.015 -8.519 -7.136 106 HB2 ASP 15 HB2 ASP 15 21.402 -7.950 -4.223 107 HB3 ASP 15 HB3 ASP 15 20.201 -7.970 -5.521 108 H VAL 16 H VAL 16 21.794 -6.775 -8.357 109 HA VAL 16 HA VAL 16 21.754 -4.131 -7.123 110 HB VAL 16 HB VAL 16 23.537 -4.713 -9.489 111 HG11 VAL 16 HG11 VAL 16 23.701 -2.512 -9.750 112 HG12 VAL 16 HG12 VAL 16 22.387 -2.333 -8.586 113 HG13 VAL 16 HG13 VAL 16 24.063 -2.281 -8.040 114 HG21 VAL 16 HG21 VAL 16 24.469 -5.744 -7.500 115 HG22 VAL 16 HG22 VAL 16 25.415 -4.323 -7.947 116 HG23 VAL 16 HG23 VAL 16 24.276 -4.237 -6.603 117 H THR 17 H THR 17 19.466 -4.815 -7.776 118 HA THR 17 HA THR 17 18.889 -3.559 -10.341 119 HB THR 17 HB THR 17 19.023 -6.036 -10.753 120 HG1 THR 17 HG1 THR 17 17.111 -6.017 -11.976 121 HG21 THR 17 HG21 THR 17 17.426 -7.519 -9.859 122 HG22 THR 17 HG22 THR 17 16.442 -6.203 -9.218 123 HG23 THR 17 HG23 THR 17 17.998 -6.582 -8.479 124 H ILE 18 H ILE 18 16.299 -3.654 -10.573 125 HA ILE 18 HA ILE 18 15.328 -2.329 -8.172 126 HB ILE 18 HB ILE 18 13.805 -2.675 -10.745 127 HG12 ILE 18 HG12 ILE 18 15.984 -1.724 -11.297 128 HG13 ILE 18 HG13 ILE 18 14.715 -0.497 -11.450 129 HG21 ILE 18 HG21 ILE 18 13.583 -0.941 -8.330 130 HG22 ILE 18 HG22 ILE 18 12.993 -0.345 -9.879 131 HG23 ILE 18 HG23 ILE 18 12.330 -1.830 -9.197 132 HD11 ILE 18 HD11 ILE 18 15.940 0.829 -10.176 133 HD12 ILE 18 HD12 ILE 18 15.628 -0.265 -8.828 134 HD13 ILE 18 HD13 ILE 18 17.073 -0.473 -9.817 135 H GLU 19 H GLU 19 13.257 -2.824 -7.237 136 HA GLU 19 HA GLU 19 11.761 -5.120 -7.891 137 HB2 GLU 19 HB2 GLU 19 12.365 -6.420 -5.771 138 HB3 GLU 19 HB3 GLU 19 13.503 -6.496 -7.125 139 HG2 GLU 19 HG2 GLU 19 15.151 -5.610 -5.929 140 HG3 GLU 19 HG3 GLU 19 14.112 -4.306 -5.339 141 H ASP 20 H ASP 20 9.804 -4.953 -6.978 142 HA ASP 20 HA ASP 20 9.468 -3.659 -4.402 143 HB2 ASP 20 HB2 ASP 20 9.017 -2.269 -6.896 144 HB3 ASP 20 HB3 ASP 20 7.502 -2.430 -5.997 145 H SER 21 H SER 21 8.402 -5.272 -3.430 146 HA SER 21 HA SER 21 5.743 -5.921 -4.320 147 HB2 SER 21 HB2 SER 21 7.607 -8.269 -3.986 148 HB3 SER 21 HB3 SER 21 6.004 -8.218 -4.742 149 HG SER 21 HG SER 21 8.441 -7.763 -5.851 150 H TYR 22 H TYR 22 7.118 -4.753 -1.999 151 HA TYR 22 HA TYR 22 7.084 -4.810 0.279 152 HB2 TYR 22 HB2 TYR 22 4.542 -5.488 -0.677 153 HB3 TYR 22 HB3 TYR 22 4.871 -6.658 0.604 154 HD1 TYR 22 HD2 TYR 22 5.119 -2.978 -0.001 155 HD2 TYR 22 HD1 TYR 22 4.341 -6.101 2.782 156 HE1 TYR 22 HE2 TYR 22 4.535 -1.304 1.704 157 HE2 TYR 22 HE1 TYR 22 3.754 -4.436 4.495 158 HH TYR 22 HH TYR 22 4.130 -0.979 3.902 159 H SER 23 H SER 23 6.460 -6.650 2.169 160 HA SER 23 HA SER 23 8.483 -8.718 1.681 161 HB2 SER 23 HB2 SER 23 8.565 -7.055 3.675 162 HB3 SER 23 HB3 SER 23 7.299 -8.080 4.373 163 HG SER 23 HG SER 23 9.937 -8.817 3.658 164 H THR 24 H THR 24 7.875 -10.605 3.510 165 HA THR 24 HA THR 24 6.627 -12.475 3.866 166 HB THR 24 HB THR 24 4.152 -10.951 3.095 167 HG1 THR 24 HG1 THR 24 4.190 -9.908 5.021 168 HG21 THR 24 HG21 THR 24 4.476 -13.499 3.951 169 HG22 THR 24 HG22 THR 24 3.026 -12.538 4.244 170 HG23 THR 24 HG23 THR 24 4.268 -12.665 5.489 171 H GLU 25 H GLU 25 7.528 -11.614 1.108 172 HA GLU 25 HA GLU 25 7.548 -12.592 -0.953 173 HB2 GLU 25 HB2 GLU 25 6.764 -14.624 0.640 174 HB3 GLU 25 HB3 GLU 25 5.329 -14.469 -0.386 175 HG2 GLU 25 HG2 GLU 25 7.340 -14.396 -2.234 176 HG3 GLU 25 HG3 GLU 25 7.983 -15.508 -1.017 177 H SER 26 H SER 26 4.142 -12.978 0.023 178 HA SER 26 HA SER 26 3.074 -12.144 -2.424 179 HB2 SER 26 HB2 SER 26 1.291 -11.495 -0.238 180 HB3 SER 26 HB3 SER 26 1.155 -12.779 -1.452 181 HG SER 26 HG SER 26 1.844 -14.172 -0.039 182 H ALA 27 H ALA 27 2.183 -10.204 -3.125 183 HA ALA 27 HA ALA 27 2.966 -7.820 -1.576 184 HB1 ALA 27 HB1 ALA 27 2.742 -7.239 -4.374 185 HB2 ALA 27 HB2 ALA 27 4.128 -7.051 -3.302 186 HB3 ALA 27 HB3 ALA 27 3.853 -8.586 -4.127 187 H TRP 28 H TRP 28 1.673 -5.873 -2.068 188 HA TRP 28 HA TRP 28 -1.143 -6.613 -2.450 189 HB2 TRP 28 HB2 TRP 28 0.243 -4.416 -0.937 190 HB3 TRP 28 HB3 TRP 28 -1.438 -4.215 -1.436 191 HD1 TRP 28 HD1 TRP 28 0.529 -5.532 1.365 192 HE1 TRP 28 HE1 TRP 28 -0.933 -6.968 2.922 193 HE3 TRP 28 HE3 TRP 28 -3.542 -6.133 -1.669 194 HZ2 TRP 28 HZ2 TRP 28 -3.475 -8.194 2.871 195 HZ3 TRP 28 HZ3 TRP 28 -5.446 -7.452 -0.839 196 HH2 TRP 28 HH2 TRP 28 -5.411 -8.461 1.385 197 H VAL 29 H VAL 29 -2.288 -5.867 -4.127 198 HA VAL 29 HA VAL 29 -1.179 -3.648 -5.711 199 HB VAL 29 HB VAL 29 -2.091 -4.861 -7.756 200 HG11 VAL 29 HG11 VAL 29 0.360 -4.692 -6.862 201 HG12 VAL 29 HG12 VAL 29 0.160 -6.420 -6.573 202 HG13 VAL 29 HG13 VAL 29 -0.026 -5.770 -8.202 203 HG21 VAL 29 HG21 VAL 29 -2.569 -7.133 -7.689 204 HG22 VAL 29 HG22 VAL 29 -1.774 -7.356 -6.131 205 HG23 VAL 29 HG23 VAL 29 -3.328 -6.528 -6.215 206 H ARG 30 H ARG 30 -2.642 -2.217 -6.541 207 HA ARG 30 HA ARG 30 -5.434 -2.606 -5.704 208 HB2 ARG 30 HB2 ARG 30 -4.216 -0.659 -4.745 209 HB3 ARG 30 HB3 ARG 30 -4.022 -0.022 -6.386 210 HG2 ARG 30 HG2 ARG 30 -6.745 -0.506 -6.188 211 HG3 ARG 30 HG3 ARG 30 -6.293 0.136 -4.599 212 HD2 ARG 30 HD2 ARG 30 -6.916 1.973 -6.042 213 HD3 ARG 30 HD3 ARG 30 -5.179 2.038 -5.717 214 HE ARG 30 HE ARG 30 -5.870 0.649 -8.145 215 HH11 ARG 30 HH11 ARG 30 -5.122 3.724 -6.694 216 HH12 ARG 30 HH12 ARG 30 -4.600 4.444 -8.181 217 HH21 ARG 30 HH21 ARG 30 -5.186 1.586 -10.108 218 HH22 ARG 30 HH22 ARG 30 -4.637 3.228 -10.122 219 H CYS 31 H CYS 31 -7.109 -2.328 -7.135 220 HA CYS 31 HA CYS 31 -6.490 -2.733 -9.907 221 HB2 CYS 31 HB2 CYS 31 -8.399 -3.837 -8.772 222 HB3 CYS 31 HB3 CYS 31 -9.172 -2.261 -8.591 223 H ASP 32 H ASP 32 -6.623 -1.328 -11.577 224 HA ASP 32 HA ASP 32 -6.966 1.494 -10.894 225 HB2 ASP 32 HB2 ASP 32 -5.004 0.328 -12.304 226 HB3 ASP 32 HB3 ASP 32 -6.131 0.664 -13.625 227 H ASP 33 H ASP 33 -9.260 -0.274 -11.118 228 HA ASP 33 HA ASP 33 -10.702 1.201 -13.202 229 HB2 ASP 33 HB2 ASP 33 -10.037 -1.159 -13.950 230 HB3 ASP 33 HB3 ASP 33 -11.193 -1.738 -12.741 231 H CYS 34 H CYS 34 -10.883 -0.848 -10.325 232 HA CYS 34 HA CYS 34 -13.399 0.512 -9.610 233 HB2 CYS 34 HB2 CYS 34 -14.082 -1.471 -8.401 234 HB3 CYS 34 HB3 CYS 34 -13.697 -1.903 -10.067 235 H PHE 35 H PHE 35 -10.168 0.115 -8.850 236 HA PHE 35 HA PHE 35 -8.866 0.772 -7.104 237 HB2 PHE 35 HB2 PHE 35 -11.363 2.189 -6.136 238 HB3 PHE 35 HB3 PHE 35 -9.705 2.531 -5.639 239 HD1 PHE 35 HD1 PHE 35 -8.046 3.115 -7.598 240 HD2 PHE 35 HD2 PHE 35 -12.280 3.502 -7.800 241 HE1 PHE 35 HE1 PHE 35 -7.807 4.747 -9.425 242 HE2 PHE 35 HE2 PHE 35 -12.048 5.133 -9.625 243 HZ PHE 35 HZ PHE 35 -9.810 5.757 -10.442 244 H LYS 36 H LYS 36 -9.094 -1.599 -6.599 245 HA LYS 36 HA LYS 36 -10.067 -1.877 -3.846 246 HB2 LYS 36 HB2 LYS 36 -11.715 -2.857 -5.472 247 HB3 LYS 36 HB3 LYS 36 -10.456 -4.007 -5.953 248 HG2 LYS 36 HG2 LYS 36 -11.969 -5.041 -4.376 249 HG3 LYS 36 HG3 LYS 36 -10.359 -4.858 -3.658 250 HD2 LYS 36 HD2 LYS 36 -12.115 -4.257 -2.057 251 HD3 LYS 36 HD3 LYS 36 -11.100 -2.862 -2.463 252 HE2 LYS 36 HE2 LYS 36 -13.318 -3.041 -4.301 253 HE3 LYS 36 HE3 LYS 36 -13.894 -3.051 -2.627 254 HZ1 LYS 36 HZ1 LYS 36 -12.053 -1.098 -2.563 255 HZ2 LYS 36 HZ2 LYS 36 -13.708 -0.843 -2.806 256 HZ3 LYS 36 HZ3 LYS 36 -12.660 -0.919 -4.132 257 H TRP 37 H TRP 37 -8.829 -3.167 -2.527 258 HA TRP 37 HA TRP 37 -6.130 -3.617 -3.361 259 HB2 TRP 37 HB2 TRP 37 -7.680 -3.854 -0.835 260 HB3 TRP 37 HB3 TRP 37 -6.234 -4.855 -0.969 261 HD1 TRP 37 HD1 TRP 37 -7.004 -1.829 0.601 262 HE1 TRP 37 HE1 TRP 37 -5.048 -0.156 0.637 263 HE3 TRP 37 HE3 TRP 37 -4.097 -3.896 -3.063 264 HZ2 TRP 37 HZ2 TRP 37 -2.599 0.237 -0.709 265 HZ3 TRP 37 HZ3 TRP 37 -1.963 -2.809 -3.628 266 HH2 TRP 37 HH2 TRP 37 -1.232 -0.785 -2.475 267 H ARG 38 H ARG 38 -5.056 -5.537 -3.701 268 HA ARG 38 HA ARG 38 -6.533 -8.041 -3.524 269 HB2 ARG 38 HB2 ARG 38 -6.860 -6.959 -5.830 270 HB3 ARG 38 HB3 ARG 38 -5.150 -7.332 -6.101 271 HG2 ARG 38 HG2 ARG 38 -6.561 -9.049 -7.075 272 HG3 ARG 38 HG3 ARG 38 -5.601 -9.705 -5.739 273 HD2 ARG 38 HD2 ARG 38 -7.457 -10.403 -4.724 274 HD3 ARG 38 HD3 ARG 38 -8.034 -8.732 -4.652 275 HE ARG 38 HE ARG 38 -8.831 -10.768 -6.543 276 HH11 ARG 38 HH11 ARG 38 -8.744 -7.371 -5.790 277 HH12 ARG 38 HH12 ARG 38 -10.065 -6.971 -6.838 278 HH21 ARG 38 HH21 ARG 38 -10.571 -10.256 -7.925 279 HH22 ARG 38 HH22 ARG 38 -11.104 -8.613 -8.051 280 H ARG 39 H ARG 39 -5.265 -9.542 -2.664 281 HA ARG 39 HA ARG 39 -2.413 -9.062 -2.453 282 HB2 ARG 39 HB2 ARG 39 -4.158 -10.048 -0.682 283 HB3 ARG 39 HB3 ARG 39 -3.629 -11.568 -1.418 284 HG2 ARG 39 HG2 ARG 39 -1.235 -10.373 -0.986 285 HG3 ARG 39 HG3 ARG 39 -2.188 -9.733 0.363 286 HD2 ARG 39 HD2 ARG 39 -2.870 -12.081 0.913 287 HD3 ARG 39 HD3 ARG 39 -1.737 -12.631 -0.329 288 HE ARG 39 HE ARG 39 -0.537 -10.914 1.638 289 HH11 ARG 39 HH11 ARG 39 -1.423 -14.188 0.852 290 HH12 ARG 39 HH12 ARG 39 -0.242 -14.898 1.903 291 HH21 ARG 39 HH21 ARG 39 1.021 -11.836 3.025 292 HH22 ARG 39 HH22 ARG 39 1.147 -13.560 3.139 293 H ILE 40 H ILE 40 -0.945 -9.898 -3.773 294 HA ILE 40 HA ILE 40 -1.618 -12.347 -5.265 295 HB ILE 40 HB ILE 40 -0.595 -11.534 -7.245 296 HG12 ILE 40 HG12 ILE 40 0.256 -9.152 -5.583 297 HG13 ILE 40 HG13 ILE 40 1.313 -10.383 -6.295 298 HG21 ILE 40 HG21 ILE 40 -1.964 -9.608 -7.812 299 HG22 ILE 40 HG22 ILE 40 -2.888 -10.758 -6.847 300 HG23 ILE 40 HG23 ILE 40 -2.255 -9.291 -6.101 301 HD11 ILE 40 HD11 ILE 40 0.403 -9.609 -8.551 302 HD12 ILE 40 HD12 ILE 40 -0.191 -8.196 -7.677 303 HD13 ILE 40 HD13 ILE 40 1.537 -8.552 -7.710 304 HA PRO 41 HA PRO 41 2.192 -14.011 -3.851 305 HB2 PRO 41 HB2 PRO 41 2.843 -15.662 -5.937 306 HB3 PRO 41 HB3 PRO 41 1.535 -15.996 -4.803 307 HG2 PRO 41 HG2 PRO 41 1.417 -14.754 -7.531 308 HG3 PRO 41 HG3 PRO 41 0.366 -16.033 -6.813 309 HD2 PRO 41 HD2 PRO 41 -0.404 -13.437 -6.994 310 HD3 PRO 41 HD3 PRO 41 -0.889 -14.488 -5.652 311 H ALA 42 H ALA 42 4.456 -13.946 -4.136 312 HA ALA 42 HA ALA 42 5.436 -11.664 -5.489 313 HB1 ALA 42 HB1 ALA 42 6.350 -13.158 -3.442 314 HB2 ALA 42 HB2 ALA 42 7.387 -13.741 -4.744 315 HB3 ALA 42 HB3 ALA 42 7.348 -12.022 -4.350 316 H SER 43 H SER 43 4.726 -14.774 -6.593 317 HA SER 43 HA SER 43 6.756 -14.974 -8.607 318 HB2 SER 43 HB2 SER 43 5.257 -16.840 -7.478 319 HB3 SER 43 HB3 SER 43 4.167 -16.454 -8.822 320 HG SER 43 HG SER 43 5.405 -17.808 -9.863 321 H VAL 44 H VAL 44 3.423 -13.847 -8.478 322 HA VAL 44 HA VAL 44 3.431 -13.251 -11.332 323 HB VAL 44 HB VAL 44 1.412 -14.230 -10.185 324 HG11 VAL 44 HG11 VAL 44 1.163 -11.444 -9.058 325 HG12 VAL 44 HG12 VAL 44 -0.030 -12.737 -8.915 326 HG13 VAL 44 HG13 VAL 44 1.542 -12.896 -8.131 327 HG21 VAL 44 HG21 VAL 44 0.473 -13.480 -12.053 328 HG22 VAL 44 HG22 VAL 44 0.074 -11.986 -11.204 329 HG23 VAL 44 HG23 VAL 44 1.581 -12.108 -12.112 330 H VAL 45 H VAL 45 3.688 -11.653 -8.247 331 HA VAL 45 HA VAL 45 3.061 -9.035 -8.916 332 HB VAL 45 HB VAL 45 3.784 -10.092 -6.633 333 HG11 VAL 45 HG11 VAL 45 6.116 -10.526 -7.586 334 HG12 VAL 45 HG12 VAL 45 6.391 -8.796 -7.366 335 HG13 VAL 45 HG13 VAL 45 6.015 -9.814 -5.976 336 HG21 VAL 45 HG21 VAL 45 3.053 -8.014 -6.221 337 HG22 VAL 45 HG22 VAL 45 4.761 -7.578 -6.175 338 HG23 VAL 45 HG23 VAL 45 3.833 -7.353 -7.658 339 H GLY 46 H GLY 46 5.824 -10.942 -9.784 340 HA2 GLY 46 HA2 GLY 46 7.241 -8.568 -10.775 341 HA3 GLY 46 HA3 GLY 46 7.935 -10.169 -10.582 342 H SER 47 H SER 47 4.817 -9.914 -12.034 343 HA SER 47 HA SER 47 5.986 -10.126 -14.720 344 HB2 SER 47 HB2 SER 47 5.248 -12.371 -13.499 345 HB3 SER 47 HB3 SER 47 3.645 -11.859 -14.058 346 HG SER 47 HG SER 47 5.932 -12.139 -15.719 347 H ILE 48 H ILE 48 3.105 -9.584 -12.752 348 HA ILE 48 HA ILE 48 1.433 -8.678 -14.841 349 HB ILE 48 HB ILE 48 0.058 -7.664 -13.047 350 HG12 ILE 48 HG12 ILE 48 1.231 -8.701 -10.727 351 HG13 ILE 48 HG13 ILE 48 2.556 -7.908 -11.594 352 HG21 ILE 48 HG21 ILE 48 -0.673 -9.787 -13.277 353 HG22 ILE 48 HG22 ILE 48 0.937 -10.477 -13.090 354 HG23 ILE 48 HG23 ILE 48 0.025 -9.973 -11.668 355 HD11 ILE 48 HD11 ILE 48 0.628 -6.024 -11.798 356 HD12 ILE 48 HD12 ILE 48 0.244 -6.738 -10.231 357 HD13 ILE 48 HD13 ILE 48 1.851 -6.074 -10.529 358 H ASP 49 H ASP 49 3.966 -7.166 -13.040 359 HA ASP 49 HA ASP 49 3.176 -4.464 -13.595 360 HB2 ASP 49 HB2 ASP 49 5.550 -3.952 -12.834 361 HB3 ASP 49 HB3 ASP 49 4.506 -4.758 -11.656 362 H GLU 50 H GLU 50 2.842 -4.970 -15.946 363 HA GLU 50 HA GLU 50 5.201 -5.271 -17.575 364 HB2 GLU 50 HB2 GLU 50 3.694 -5.134 -19.471 365 HB3 GLU 50 HB3 GLU 50 3.036 -6.238 -18.252 366 HG2 GLU 50 HG2 GLU 50 1.751 -4.106 -17.435 367 HG3 GLU 50 HG3 GLU 50 2.074 -3.545 -19.081 368 H SER 51 H SER 51 3.152 -2.664 -16.476 369 HA SER 51 HA SER 51 5.014 -0.753 -17.702 370 HB2 SER 51 HB2 SER 51 3.164 -0.669 -19.197 371 HB3 SER 51 HB3 SER 51 1.999 -0.689 -17.862 372 HG SER 51 HG SER 51 3.614 1.416 -18.778 373 H SER 52 H SER 52 2.022 -0.415 -15.812 374 HA SER 52 HA SER 52 3.201 0.066 -13.326 375 HB2 SER 52 HB2 SER 52 2.749 2.617 -13.301 376 HB3 SER 52 HB3 SER 52 4.234 2.038 -14.076 377 HG SER 52 HG SER 52 2.846 3.621 -15.261 378 H ARG 53 H ARG 53 0.931 -1.242 -14.357 379 HA ARG 53 HA ARG 53 -1.102 -0.072 -12.657 380 HB2 ARG 53 HB2 ARG 53 -2.811 0.122 -14.283 381 HB3 ARG 53 HB3 ARG 53 -1.395 0.936 -14.966 382 HG2 ARG 53 HG2 ARG 53 -1.108 -1.643 -15.884 383 HG3 ARG 53 HG3 ARG 53 -2.861 -1.381 -15.935 384 HD2 ARG 53 HD2 ARG 53 -2.079 0.947 -16.998 385 HD3 ARG 53 HD3 ARG 53 -0.696 -0.053 -17.463 386 HE ARG 53 HE ARG 53 -2.779 -1.565 -18.242 387 HH11 ARG 53 HH11 ARG 53 -1.990 1.788 -18.748 388 HH12 ARG 53 HH12 ARG 53 -2.788 1.878 -20.284 389 HH21 ARG 53 HH21 ARG 53 -3.832 -1.459 -20.262 390 HH22 ARG 53 HH22 ARG 53 -3.835 0.031 -21.144 391 H TRP 54 H TRP 54 -3.098 -1.542 -12.635 392 HA TRP 54 HA TRP 54 -2.797 -4.254 -13.454 393 HB2 TRP 54 HB2 TRP 54 -1.201 -4.376 -11.649 394 HB3 TRP 54 HB3 TRP 54 -2.329 -3.587 -10.543 395 HD1 TRP 54 HD1 TRP 54 -1.396 -6.978 -11.863 396 HE1 TRP 54 HE1 TRP 54 -2.886 -8.770 -10.771 397 HE3 TRP 54 HE3 TRP 54 -4.836 -3.924 -9.632 398 HZ2 TRP 54 HZ2 TRP 54 -5.213 -8.875 -9.177 399 HZ3 TRP 54 HZ3 TRP 54 -6.663 -4.950 -8.342 400 HH2 TRP 54 HH2 TRP 54 -6.846 -7.374 -8.121 401 H ILE 55 H ILE 55 -4.683 -5.442 -13.195 402 HA ILE 55 HA ILE 55 -6.909 -4.114 -11.811 403 HB ILE 55 HB ILE 55 -8.378 -4.960 -13.739 404 HG12 ILE 55 HG12 ILE 55 -5.654 -4.957 -15.059 405 HG13 ILE 55 HG13 ILE 55 -6.741 -6.343 -14.873 406 HG21 ILE 55 HG21 ILE 55 -8.091 -2.897 -14.970 407 HG22 ILE 55 HG22 ILE 55 -7.911 -2.593 -13.242 408 HG23 ILE 55 HG23 ILE 55 -6.486 -2.676 -14.276 409 HD11 ILE 55 HD11 ILE 55 -6.727 -4.253 -16.897 410 HD12 ILE 55 HD12 ILE 55 -7.412 -5.877 -16.941 411 HD13 ILE 55 HD13 ILE 55 -8.320 -4.557 -16.206 412 H CYS 56 H CYS 56 -8.828 -5.619 -11.605 413 HA CYS 56 HA CYS 56 -8.086 -7.930 -10.224 414 HB2 CYS 56 HB2 CYS 56 -10.775 -7.381 -11.501 415 HB3 CYS 56 HB3 CYS 56 -10.453 -8.463 -10.144 416 H MET 57 H MET 57 -9.529 -7.617 -13.466 417 HA MET 57 HA MET 57 -9.556 -10.338 -14.100 418 HB2 MET 57 HB2 MET 57 -9.595 -9.573 -16.481 419 HB3 MET 57 HB3 MET 57 -10.798 -8.789 -15.445 420 HG2 MET 57 HG2 MET 57 -8.575 -7.123 -15.290 421 HG3 MET 57 HG3 MET 57 -8.646 -7.628 -16.981 422 HE1 MET 57 HE1 MET 57 -10.124 -5.868 -14.084 423 HE2 MET 57 HE2 MET 57 -11.484 -4.928 -14.699 424 HE3 MET 57 HE3 MET 57 -11.694 -6.638 -14.316 425 H ASN 58 H ASN 58 -6.944 -8.128 -13.878 426 HA ASN 58 HA ASN 58 -5.169 -9.688 -15.561 427 HB2 ASN 58 HB2 ASN 58 -5.046 -7.083 -14.136 428 HB3 ASN 58 HB3 ASN 58 -3.514 -7.941 -14.343 429 HD21 ASN 58 HD21 ASN 58 -6.332 -7.793 -16.471 430 HD22 ASN 58 HD22 ASN 58 -5.496 -7.109 -17.820 431 H ASN 59 H ASN 59 -6.281 -9.858 -12.413 432 HA ASN 59 HA ASN 59 -4.049 -10.526 -10.900 433 HB2 ASN 59 HB2 ASN 59 -6.463 -10.205 -10.126 434 HB3 ASN 59 HB3 ASN 59 -6.728 -11.884 -10.609 435 HD21 ASN 59 HD21 ASN 59 -7.288 -11.954 -8.260 436 HD22 ASN 59 HD22 ASN 59 -6.012 -12.328 -7.156 437 H SER 60 H SER 60 -3.014 -12.461 -10.410 438 HA SER 60 HA SER 60 -2.690 -14.273 -12.556 439 HB2 SER 60 HB2 SER 60 -0.873 -14.975 -11.414 440 HB3 SER 60 HB3 SER 60 -1.229 -13.625 -10.322 441 HG SER 60 HG SER 60 -1.108 -16.092 -9.628 442 H ASP 61 H ASP 61 -4.675 -14.290 -9.690 443 HA ASP 61 HA ASP 61 -5.307 -17.054 -9.686 444 HB2 ASP 61 HB2 ASP 61 -5.732 -15.017 -7.946 445 HB3 ASP 61 HB3 ASP 61 -7.341 -15.164 -8.665 446 H LYS 62 H LYS 62 -8.014 -17.278 -9.655 447 HA LYS 62 HA LYS 62 -8.884 -16.403 -12.326 448 HB2 LYS 62 HB2 LYS 62 -9.502 -19.138 -11.209 449 HB3 LYS 62 HB3 LYS 62 -9.721 -18.556 -12.867 450 HG2 LYS 62 HG2 LYS 62 -7.829 -19.731 -13.220 451 HG3 LYS 62 HG3 LYS 62 -7.076 -18.232 -12.649 452 HD2 LYS 62 HD2 LYS 62 -6.051 -20.048 -11.475 453 HD3 LYS 62 HD3 LYS 62 -7.099 -19.185 -10.337 454 HE2 LYS 62 HE2 LYS 62 -8.549 -20.919 -10.122 455 HE3 LYS 62 HE3 LYS 62 -8.353 -21.414 -11.809 456 HZ1 LYS 62 HZ1 LYS 62 -6.855 -22.924 -11.227 457 HZ2 LYS 62 HZ2 LYS 62 -7.243 -22.622 -9.610 458 HZ3 LYS 62 HZ3 LYS 62 -5.950 -21.808 -10.335 459 H ARG 63 H ARG 63 -10.010 -17.960 -9.323 460 HA ARG 63 HA ARG 63 -12.716 -17.180 -9.665 461 HB2 ARG 63 HB2 ARG 63 -11.132 -18.631 -7.722 462 HB3 ARG 63 HB3 ARG 63 -12.285 -17.552 -6.922 463 HG2 ARG 63 HG2 ARG 63 -13.656 -19.330 -7.127 464 HG3 ARG 63 HG3 ARG 63 -13.914 -18.645 -8.741 465 HD2 ARG 63 HD2 ARG 63 -12.542 -20.214 -9.782 466 HD3 ARG 63 HD3 ARG 63 -11.691 -20.592 -8.278 467 HE ARG 63 HE ARG 63 -14.395 -21.323 -8.016 468 HH11 ARG 63 HH11 ARG 63 -11.493 -22.272 -9.691 469 HH12 ARG 63 HH12 ARG 63 -11.947 -23.940 -9.801 470 HH21 ARG 63 HH21 ARG 63 -15.003 -23.517 -8.156 471 HH22 ARG 63 HH22 ARG 63 -13.944 -24.647 -8.928 472 H PHE 64 H PHE 64 -9.928 -15.534 -8.543 473 HA PHE 64 HA PHE 64 -11.618 -13.337 -7.544 474 HB2 PHE 64 HB2 PHE 64 -8.976 -14.388 -6.560 475 HB3 PHE 64 HB3 PHE 64 -9.438 -12.712 -6.263 476 HD1 PHE 64 HD1 PHE 64 -11.046 -16.074 -6.006 477 HD2 PHE 64 HD2 PHE 64 -10.372 -12.267 -4.225 478 HE1 PHE 64 HE1 PHE 64 -12.361 -16.763 -4.044 479 HE2 PHE 64 HE2 PHE 64 -11.685 -12.950 -2.260 480 HZ PHE 64 HZ PHE 64 -12.681 -15.201 -2.167 481 H ALA 65 H ALA 65 -10.537 -13.964 -10.264 482 HA ALA 65 HA ALA 65 -8.859 -11.575 -10.656 483 HB1 ALA 65 HB1 ALA 65 -8.121 -13.982 -11.374 484 HB2 ALA 65 HB2 ALA 65 -9.159 -13.661 -12.764 485 HB3 ALA 65 HB3 ALA 65 -7.796 -12.597 -12.416 486 H ASP 66 H ASP 66 -11.043 -10.475 -10.438 487 HA ASP 66 HA ASP 66 -11.880 -9.559 -12.956 488 HB2 ASP 66 HB2 ASP 66 -13.338 -11.870 -11.873 489 HB3 ASP 66 HB3 ASP 66 -14.376 -10.505 -12.305 490 H CYS 67 H CYS 67 -13.106 -7.710 -12.795 491 HA CYS 67 HA CYS 67 -13.104 -6.364 -10.321 492 HB2 CYS 67 HB2 CYS 67 -14.131 -5.820 -13.059 493 HB3 CYS 67 HB3 CYS 67 -14.826 -4.870 -11.745 494 H SER 68 H SER 68 -15.421 -8.427 -11.846 495 HA SER 68 HA SER 68 -17.725 -7.549 -10.437 496 HB2 SER 68 HB2 SER 68 -17.025 -9.692 -12.296 497 HB3 SER 68 HB3 SER 68 -18.161 -10.227 -11.045 498 HG SER 68 HG SER 68 -19.669 -9.022 -11.891 499 H LYS 69 H LYS 69 -15.079 -9.636 -9.650 500 HA LYS 69 HA LYS 69 -16.308 -11.098 -7.557 501 HB2 LYS 69 HB2 LYS 69 -13.376 -10.407 -7.842 502 HB3 LYS 69 HB3 LYS 69 -14.071 -11.753 -6.927 503 HG2 LYS 69 HG2 LYS 69 -14.242 -11.435 -9.926 504 HG3 LYS 69 HG3 LYS 69 -13.077 -12.458 -9.065 505 HD2 LYS 69 HD2 LYS 69 -14.957 -13.724 -8.065 506 HD3 LYS 69 HD3 LYS 69 -16.083 -12.739 -9.017 507 HE2 LYS 69 HE2 LYS 69 -13.890 -14.052 -10.525 508 HE3 LYS 69 HE3 LYS 69 -15.132 -15.112 -9.843 509 HZ1 LYS 69 HZ1 LYS 69 -15.355 -13.129 -11.966 510 HZ2 LYS 69 HZ2 LYS 69 -16.682 -13.276 -10.928 511 HZ3 LYS 69 HZ3 LYS 69 -16.131 -14.622 -11.793 512 H SER 70 H SER 70 -15.160 -10.911 -5.267 513 HA SER 70 HA SER 70 -15.593 -8.133 -4.402 514 HB2 SER 70 HB2 SER 70 -16.020 -10.797 -3.069 515 HB3 SER 70 HB3 SER 70 -15.798 -9.336 -2.090 516 HG SER 70 HG SER 70 -17.783 -8.834 -2.517 517 H GLN 71 H GLN 71 -14.412 -7.891 -2.083 518 HA GLN 71 HA GLN 71 -11.624 -7.844 -2.724 519 HB2 GLN 71 HB2 GLN 71 -12.918 -6.112 -1.372 520 HB3 GLN 71 HB3 GLN 71 -12.834 -7.260 -0.027 521 HG2 GLN 71 HG2 GLN 71 -10.515 -7.079 0.161 522 HG3 GLN 71 HG3 GLN 71 -10.358 -6.372 -1.453 523 HE21 GLN 71 HE21 GLN 71 -9.032 -4.968 0.165 524 HE22 GLN 71 HE22 GLN 71 -9.850 -3.556 0.732 525 H GLU 72 H GLU 72 -9.958 -8.652 -1.178 526 HA GLU 72 HA GLU 72 -10.581 -11.419 -0.476 527 HB2 GLU 72 HB2 GLU 72 -7.875 -10.071 -0.479 528 HB3 GLU 72 HB3 GLU 72 -8.215 -11.808 -0.466 529 HG2 GLU 72 HG2 GLU 72 -9.510 -10.925 -2.742 530 HG3 GLU 72 HG3 GLU 72 -8.023 -9.967 -2.698 531 H MET 73 H MET 73 -9.380 -8.431 0.960 532 HA MET 73 HA MET 73 -9.960 -9.551 3.608 533 HB2 MET 73 HB2 MET 73 -7.411 -8.199 2.730 534 HB3 MET 73 HB3 MET 73 -7.906 -8.250 4.429 535 HG2 MET 73 HG2 MET 73 -7.721 -10.592 4.542 536 HG3 MET 73 HG3 MET 73 -7.666 -10.742 2.784 537 HE1 MET 73 HE1 MET 73 -5.680 -7.759 4.165 538 HE2 MET 73 HE2 MET 73 -5.782 -8.747 5.623 539 HE3 MET 73 HE3 MET 73 -4.224 -8.495 4.835 540 H SER 74 H SER 74 -10.061 -7.804 5.298 541 HA SER 74 HA SER 74 -11.699 -5.652 4.285 542 HB2 SER 74 HB2 SER 74 -10.884 -6.442 7.097 543 HB3 SER 74 HB3 SER 74 -11.978 -5.099 6.720 544 HG SER 74 HG SER 74 -13.159 -6.983 7.164 545 H ASN 75 H ASN 75 -11.332 -3.429 4.630 546 HA ASN 75 HA ASN 75 -8.832 -2.464 4.003 547 HB2 ASN 75 HB2 ASN 75 -11.281 -1.248 5.210 548 HB3 ASN 75 HB3 ASN 75 -9.793 -0.294 5.198 549 HD21 ASN 75 HD21 ASN 75 -8.633 -0.337 3.014 550 HD22 ASN 75 HD22 ASN 75 -9.635 -0.091 1.629 551 H GLU 76 H GLU 76 -10.194 -3.137 7.165 552 HA GLU 76 HA GLU 76 -8.220 -1.827 8.705 553 HB2 GLU 76 HB2 GLU 76 -9.011 -3.301 10.557 554 HB3 GLU 76 HB3 GLU 76 -10.308 -2.425 9.728 555 HG2 GLU 76 HG2 GLU 76 -10.317 -4.704 8.297 556 HG3 GLU 76 HG3 GLU 76 -9.762 -5.315 9.861 557 H GLU 77 H GLU 77 -8.560 -5.206 7.660 558 HA GLU 77 HA GLU 77 -6.237 -6.173 8.913 559 HB2 GLU 77 HB2 GLU 77 -7.567 -7.180 6.386 560 HB3 GLU 77 HB3 GLU 77 -6.426 -8.084 7.394 561 HG2 GLU 77 HG2 GLU 77 -8.253 -7.480 9.260 562 HG3 GLU 77 HG3 GLU 77 -9.287 -7.504 7.825 563 H ILE 78 H ILE 78 -6.779 -4.745 5.735 564 HA ILE 78 HA ILE 78 -4.175 -5.248 4.723 565 HB ILE 78 HB ILE 78 -6.092 -3.068 3.892 566 HG12 ILE 78 HG12 ILE 78 -5.752 -5.823 2.690 567 HG13 ILE 78 HG13 ILE 78 -7.026 -5.414 3.852 568 HG21 ILE 78 HG21 ILE 78 -4.888 -3.344 1.695 569 HG22 ILE 78 HG22 ILE 78 -3.950 -2.608 2.993 570 HG23 ILE 78 HG23 ILE 78 -3.689 -4.299 2.566 571 HD11 ILE 78 HD11 ILE 78 -8.310 -4.650 2.228 572 HD12 ILE 78 HD12 ILE 78 -7.065 -3.496 1.749 573 HD13 ILE 78 HD13 ILE 78 -7.077 -5.118 1.057 574 H ASN 79 H ASN 79 -5.661 -2.438 6.299 575 HA ASN 79 HA ASN 79 -3.464 -0.706 6.082 576 HB2 ASN 79 HB2 ASN 79 -4.980 0.688 6.937 577 HB3 ASN 79 HB3 ASN 79 -6.035 -0.679 7.318 578 HD21 ASN 79 HD21 ASN 79 -6.083 -1.511 9.381 579 HD22 ASN 79 HD22 ASN 79 -5.363 -0.707 10.729 580 H GLU 80 H GLU 80 -4.386 -3.008 8.611 581 HA GLU 80 HA GLU 80 -2.158 -2.354 10.292 582 HB2 GLU 80 HB2 GLU 80 -3.023 -3.846 11.807 583 HB3 GLU 80 HB3 GLU 80 -4.478 -3.445 10.883 584 HG2 GLU 80 HG2 GLU 80 -4.664 -5.715 10.947 585 HG3 GLU 80 HG3 GLU 80 -3.758 -5.510 9.441 586 H GLU 81 H GLU 81 -2.762 -4.592 7.704 587 HA GLU 81 HA GLU 81 -0.651 -6.401 8.231 588 HB2 GLU 81 HB2 GLU 81 -2.447 -7.037 6.756 589 HB3 GLU 81 HB3 GLU 81 -2.073 -5.697 5.661 590 HG2 GLU 81 HG2 GLU 81 -0.272 -6.744 4.737 591 HG3 GLU 81 HG3 GLU 81 0.069 -7.672 6.204 592 H LEU 82 H LEU 82 -0.882 -3.676 5.944 593 HA LEU 82 HA LEU 82 1.921 -3.813 5.315 594 HB2 LEU 82 HB2 LEU 82 -0.140 -1.700 4.662 595 HB3 LEU 82 HB3 LEU 82 1.489 -1.805 3.975 596 HG LEU 82 HG LEU 82 0.194 -4.285 3.492 597 HD11 LEU 82 HD11 LEU 82 -1.602 -1.991 3.412 598 HD12 LEU 82 HD12 LEU 82 -1.960 -3.717 3.362 599 HD13 LEU 82 HD13 LEU 82 -1.513 -2.866 1.884 600 HD21 LEU 82 HD21 LEU 82 1.686 -3.815 1.872 601 HD22 LEU 82 HD22 LEU 82 1.444 -2.073 2.004 602 HD23 LEU 82 HD23 LEU 82 0.300 -3.055 1.088 603 H GLY 83 H GLY 83 -0.105 -2.028 7.517 604 HA2 GLY 83 HA2 GLY 83 0.673 -0.960 9.463 605 HA3 GLY 83 HA3 GLY 83 2.287 -0.923 8.770 606 H ILE 84 H ILE 84 -0.536 0.156 7.013 607 HA ILE 84 HA ILE 84 0.569 2.877 7.046 608 HB ILE 84 HB ILE 84 -0.705 3.291 5.020 609 HG12 ILE 84 HG12 ILE 84 -1.642 0.427 5.323 610 HG13 ILE 84 HG13 ILE 84 -2.647 1.873 5.522 611 HG21 ILE 84 HG21 ILE 84 1.463 1.548 5.266 612 HG22 ILE 84 HG22 ILE 84 0.389 0.796 4.088 613 HG23 ILE 84 HG23 ILE 84 0.969 2.442 3.829 614 HD11 ILE 84 HD11 ILE 84 -1.711 0.555 3.062 615 HD12 ILE 84 HD12 ILE 84 -3.211 1.421 3.394 616 HD13 ILE 84 HD13 ILE 84 -1.735 2.318 3.046 617 H GLY 85 H GLY 85 -1.493 4.431 6.369 618 HA2 GLY 85 HA2 GLY 85 -3.477 3.992 8.516 619 HA3 GLY 85 HA3 GLY 85 -2.790 5.570 8.167 620 H GLN 86 H GLN 86 -4.513 2.936 6.494 621 HA GLN 86 HA GLN 86 -5.480 4.372 4.346 622 HB2 GLN 86 HB2 GLN 86 -6.185 1.887 5.727 623 HB3 GLN 86 HB3 GLN 86 -7.562 2.658 4.923 624 HG2 GLN 86 HG2 GLN 86 -6.657 2.425 2.815 625 HG3 GLN 86 HG3 GLN 86 -5.005 2.299 3.434 626 HE21 GLN 86 HE21 GLN 86 -4.528 0.416 2.368 627 HE22 GLN 86 HE22 GLN 86 -5.240 -1.104 2.773 628 H ASP 87 H ASP 87 -7.167 5.724 3.968 629 HA ASP 87 HA ASP 87 -8.446 6.889 6.312 630 HB2 ASP 87 HB2 ASP 87 -7.339 8.144 4.271 631 HB3 ASP 87 HB3 ASP 87 -8.923 7.879 3.529 632 H GLU 88 H GLU 88 -9.132 4.252 4.799 633 HA GLU 88 HA GLU 88 -11.886 4.749 4.033 634 HB2 GLU 88 HB2 GLU 88 -10.496 3.172 2.745 635 HB3 GLU 88 HB3 GLU 88 -10.347 2.151 4.184 636 HG2 GLU 88 HG2 GLU 88 -12.321 1.183 3.846 637 HG3 GLU 88 HG3 GLU 88 -13.112 2.734 3.532 638 H ALA 89 H ALA 89 -10.094 3.200 6.639 639 HA ALA 89 HA ALA 89 -12.404 2.136 7.944 640 HB1 ALA 89 HB1 ALA 89 -9.916 1.411 8.133 641 HB2 ALA 89 HB2 ALA 89 -9.833 2.662 9.373 642 HB3 ALA 89 HB3 ALA 89 -10.961 1.318 9.550 643 H ASP 90 H ASP 90 -13.907 3.380 8.838 644 HA ASP 90 HA ASP 90 -13.041 5.777 10.319 645 HB2 ASP 90 HB2 ASP 90 -15.036 5.455 8.224 646 HB3 ASP 90 HB3 ASP 90 -15.733 6.148 9.694 647 H ALA 91 H ALA 91 -15.741 3.461 10.068 648 HA ALA 91 HA ALA 91 -16.422 3.880 12.856 649 HB1 ALA 91 HB1 ALA 91 -18.093 1.949 12.196 650 HB2 ALA 91 HB2 ALA 91 -18.365 3.615 11.686 651 HB3 ALA 91 HB3 ALA 91 -17.661 2.452 10.561 652 H TYR 92 H TYR 92 -14.017 2.255 11.492 653 HA TYR 92 HA TYR 92 -14.293 -0.188 13.084 654 HB2 TYR 92 HB2 TYR 92 -12.494 0.636 10.816 655 HB3 TYR 92 HB3 TYR 92 -12.075 -0.737 11.844 656 HD1 TYR 92 HD2 TYR 92 -14.185 -2.397 12.249 657 HD2 TYR 92 HD1 TYR 92 -13.592 0.095 8.853 658 HE1 TYR 92 HE2 TYR 92 -15.636 -3.873 10.921 659 HE2 TYR 92 HE1 TYR 92 -15.042 -1.374 7.514 660 HH TYR 92 HH TYR 92 -15.696 -4.106 7.840 661 H ASP 93 H ASP 93 -13.392 -0.312 15.019 662 HA ASP 93 HA ASP 93 -10.775 0.657 15.580 663 HB2 ASP 93 HB2 ASP 93 -12.523 2.675 15.721 664 HB3 ASP 93 HB3 ASP 93 -12.768 2.000 17.337 665 H CYS 94 H CYS 94 -12.188 -1.812 15.760 666 HA CYS 94 HA CYS 94 -12.484 -2.242 18.643 667 HB2 CYS 94 HB2 CYS 94 -13.196 -3.956 16.254 668 HB3 CYS 94 HB3 CYS 94 -13.355 -4.498 17.925 669 H ASP 95 H ASP 95 -11.153 -4.199 15.977 670 HA ASP 95 HA ASP 95 -9.345 -5.581 15.875 671 HB2 ASP 95 HB2 ASP 95 -8.117 -3.464 17.664 672 HB3 ASP 95 HB3 ASP 95 -7.233 -4.653 16.698 673 H ALA 96 H ALA 96 -11.274 -6.120 17.950 674 HA ALA 96 HA ALA 96 -9.952 -6.815 20.373 675 HB1 ALA 96 HB1 ALA 96 -12.024 -7.170 21.099 676 HB2 ALA 96 HB2 ALA 96 -12.589 -6.685 19.500 677 HB3 ALA 96 HB3 ALA 96 -12.319 -8.390 19.861 678 H ALA 97 H ALA 97 -10.489 -8.440 17.333 679 HA ALA 97 HA ALA 97 -9.998 -11.086 18.160 680 HB1 ALA 97 HB1 ALA 97 -10.898 -11.070 16.070 681 HB2 ALA 97 HB2 ALA 97 -9.994 -9.641 15.570 682 HB3 ALA 97 HB3 ALA 97 -9.194 -11.212 15.635 683 H LYS 98 H LYS 98 -7.867 -8.433 17.349 684 HA LYS 98 HA LYS 98 -5.608 -8.180 17.435 685 HB2 LYS 98 HB2 LYS 98 -6.204 -10.210 19.537 686 HB3 LYS 98 HB3 LYS 98 -4.509 -9.935 19.107 687 HG2 LYS 98 HG2 LYS 98 -6.402 -7.732 19.921 688 HG3 LYS 98 HG3 LYS 98 -5.337 -8.596 21.045 689 HD2 LYS 98 HD2 LYS 98 -3.388 -7.750 20.054 690 HD3 LYS 98 HD3 LYS 98 -4.248 -7.277 18.578 691 HE2 LYS 98 HE2 LYS 98 -3.861 -5.252 19.713 692 HE3 LYS 98 HE3 LYS 98 -5.554 -5.654 20.044 693 HZ1 LYS 98 HZ1 LYS 98 -3.393 -5.346 21.868 694 HZ2 LYS 98 HZ2 LYS 98 -4.127 -6.858 22.059 695 HZ3 LYS 98 HZ3 LYS 98 -5.053 -5.448 22.181 696 H ARG 99 H ARG 99 -3.435 -9.593 17.373 697 HA ARG 99 HA ARG 99 -3.679 -12.004 15.809 698 HB2 ARG 99 HB2 ARG 99 -2.649 -9.437 14.594 699 HB3 ARG 99 HB3 ARG 99 -2.291 -11.035 13.925 700 HG2 ARG 99 HG2 ARG 99 -4.750 -11.429 13.708 701 HG3 ARG 99 HG3 ARG 99 -4.993 -9.741 14.186 702 HD2 ARG 99 HD2 ARG 99 -5.056 -9.762 11.816 703 HD3 ARG 99 HD3 ARG 99 -3.479 -9.101 12.269 704 HE ARG 99 HE ARG 99 -3.018 -11.770 11.957 705 HH11 ARG 99 HH11 ARG 99 -4.372 -9.261 9.960 706 HH12 ARG 99 HH12 ARG 99 -3.850 -9.982 8.473 707 HH21 ARG 99 HH21 ARG 99 -2.325 -12.729 10.008 708 HH22 ARG 99 HH22 ARG 99 -2.686 -11.954 8.502 709 H GLY 100 H GLY 100 -1.490 -9.387 16.814 710 HA2 GLY 100 HA2 GLY 100 0.447 -9.562 18.086 711 HA3 GLY 100 HA3 GLY 100 0.260 -11.308 18.079 Start of MODEL 9 1 H1 GLY 1 H GLY 1 4.043 -0.656 -55.846 2 HA2 GLY 1 HA2 GLY 1 1.612 -0.365 -54.219 3 HA3 GLY 1 HA3 GLY 1 2.820 -1.547 -53.740 4 H SER 2 H SER 2 2.072 0.463 -52.022 5 HA SER 2 HA SER 2 4.539 2.057 -51.905 6 HB2 SER 2 HB2 SER 2 1.695 3.003 -51.664 7 HB3 SER 2 HB3 SER 2 2.986 3.844 -50.788 8 HG SER 2 HG SER 2 2.758 3.464 -53.586 9 H ARG 3 H ARG 3 4.852 3.002 -49.660 10 HA ARG 3 HA ARG 3 3.835 1.164 -47.599 11 HB2 ARG 3 HB2 ARG 3 6.676 2.037 -48.110 12 HB3 ARG 3 HB3 ARG 3 6.151 1.431 -46.532 13 HG2 ARG 3 HG2 ARG 3 7.002 -0.473 -47.509 14 HG3 ARG 3 HG3 ARG 3 5.274 -0.603 -47.880 15 HD2 ARG 3 HD2 ARG 3 6.433 0.918 -49.965 16 HD3 ARG 3 HD3 ARG 3 7.500 -0.463 -49.675 17 HE ARG 3 HE ARG 3 4.859 -0.530 -50.796 18 HH11 ARG 3 HH11 ARG 3 7.273 -2.349 -49.068 19 HH12 ARG 3 HH12 ARG 3 6.671 -3.888 -49.586 20 HH21 ARG 3 HH21 ARG 3 4.057 -2.551 -51.485 21 HH22 ARG 3 HH22 ARG 3 4.843 -4.003 -50.962 22 H ARG 4 H ARG 4 3.878 2.019 -45.422 23 HA ARG 4 HA ARG 4 4.349 4.847 -45.058 24 HB2 ARG 4 HB2 ARG 4 2.033 5.284 -44.237 25 HB3 ARG 4 HB3 ARG 4 2.134 4.972 -45.977 26 HG2 ARG 4 HG2 ARG 4 1.691 2.509 -44.547 27 HG3 ARG 4 HG3 ARG 4 0.465 3.719 -44.128 28 HD2 ARG 4 HD2 ARG 4 0.295 4.123 -46.680 29 HD3 ARG 4 HD3 ARG 4 1.127 2.567 -46.814 30 HE ARG 4 HE ARG 4 -1.196 2.509 -45.112 31 HH11 ARG 4 HH11 ARG 4 0.004 2.181 -48.364 32 HH12 ARG 4 HH12 ARG 4 -1.330 1.213 -48.898 33 HH21 ARG 4 HH21 ARG 4 -2.958 1.236 -45.804 34 HH22 ARG 4 HH22 ARG 4 -3.014 0.676 -47.440 35 H ALA 5 H ALA 5 4.025 5.516 -42.797 36 HA ALA 5 HA ALA 5 3.987 3.287 -40.889 37 HB1 ALA 5 HB1 ALA 5 6.288 4.866 -41.587 38 HB2 ALA 5 HB2 ALA 5 5.885 5.070 -39.881 39 HB3 ALA 5 HB3 ALA 5 6.172 3.456 -40.534 40 H SER 6 H SER 6 3.776 4.063 -38.611 41 HA SER 6 HA SER 6 2.643 6.719 -38.286 42 HB2 SER 6 HB2 SER 6 0.791 5.086 -39.017 43 HB3 SER 6 HB3 SER 6 0.994 4.349 -37.418 44 HG SER 6 HG SER 6 0.503 7.114 -37.791 45 H VAL 7 H VAL 7 2.592 7.431 -36.141 46 HA VAL 7 HA VAL 7 3.485 5.622 -34.043 47 HB VAL 7 HB VAL 7 5.279 7.197 -33.322 48 HG11 VAL 7 HG11 VAL 7 5.730 5.119 -34.605 49 HG12 VAL 7 HG12 VAL 7 5.715 6.077 -36.087 50 HG13 VAL 7 HG13 VAL 7 6.938 6.378 -34.853 51 HG21 VAL 7 HG21 VAL 7 5.306 8.357 -36.068 52 HG22 VAL 7 HG22 VAL 7 4.225 9.046 -34.858 53 HG23 VAL 7 HG23 VAL 7 5.964 9.005 -34.565 54 H GLY 8 H GLY 8 3.497 6.729 -31.885 55 HA2 GLY 8 HA2 GLY 8 2.287 9.233 -31.468 56 HA3 GLY 8 HA3 GLY 8 1.036 8.000 -31.425 57 H SER 9 H SER 9 2.780 9.817 -29.464 58 HA SER 9 HA SER 9 2.312 8.281 -27.165 59 HB2 SER 9 HB2 SER 9 4.848 7.762 -28.523 60 HB3 SER 9 HB3 SER 9 5.073 8.304 -26.851 61 HG SER 9 HG SER 9 3.283 6.639 -26.466 62 H GLU 10 H GLU 10 2.692 9.436 -25.273 63 HA GLU 10 HA GLU 10 3.810 12.137 -25.636 64 HB2 GLU 10 HB2 GLU 10 1.153 11.499 -25.087 65 HB3 GLU 10 HB3 GLU 10 1.829 11.968 -23.519 66 HG2 GLU 10 HG2 GLU 10 2.391 14.121 -24.260 67 HG3 GLU 10 HG3 GLU 10 2.196 13.666 -25.959 68 H PHE 11 H PHE 11 4.122 13.153 -23.313 69 HA PHE 11 HA PHE 11 6.170 11.663 -22.069 70 HB2 PHE 11 HB2 PHE 11 4.897 14.287 -21.723 71 HB3 PHE 11 HB3 PHE 11 5.484 13.582 -20.217 72 HD1 PHE 11 HD1 PHE 11 7.919 12.582 -20.324 73 HD2 PHE 11 HD2 PHE 11 6.382 15.533 -22.976 74 HE1 PHE 11 HE1 PHE 11 10.213 13.296 -20.852 75 HE2 PHE 11 HE2 PHE 11 8.674 16.252 -23.511 76 HZ PHE 11 HZ PHE 11 10.593 15.132 -22.449 77 H MET 12 H MET 12 6.086 11.570 -19.500 78 HA MET 12 HA MET 12 4.019 9.643 -18.903 79 HB2 MET 12 HB2 MET 12 5.258 9.111 -16.955 80 HB3 MET 12 HB3 MET 12 6.448 9.408 -18.230 81 HG2 MET 12 HG2 MET 12 6.251 11.889 -17.169 82 HG3 MET 12 HG3 MET 12 5.931 10.891 -15.749 83 HE1 MET 12 HE1 MET 12 9.310 10.245 -14.487 84 HE2 MET 12 HE2 MET 12 8.056 11.476 -14.333 85 HE3 MET 12 HE3 MET 12 7.616 9.768 -14.373 86 H VAL 13 H VAL 13 2.822 9.743 -16.828 87 HA VAL 13 HA VAL 13 1.501 12.283 -16.587 88 HB VAL 13 HB VAL 13 0.118 11.134 -14.863 89 HG11 VAL 13 HG11 VAL 13 0.297 9.380 -17.286 90 HG12 VAL 13 HG12 VAL 13 -1.134 9.916 -16.404 91 HG13 VAL 13 HG13 VAL 13 -0.240 11.055 -17.412 92 HG21 VAL 13 HG21 VAL 13 0.434 8.893 -14.271 93 HG22 VAL 13 HG22 VAL 13 1.566 8.608 -15.593 94 HG23 VAL 13 HG23 VAL 13 2.054 9.589 -14.211 95 H VAL 14 H VAL 14 0.888 12.830 -14.133 96 HA VAL 14 HA VAL 14 3.465 13.238 -12.772 97 HB VAL 14 HB VAL 14 2.253 15.100 -11.573 98 HG11 VAL 14 HG11 VAL 14 2.398 16.654 -13.490 99 HG12 VAL 14 HG12 VAL 14 3.792 15.578 -13.374 100 HG13 VAL 14 HG13 VAL 14 2.535 15.268 -14.572 101 HG21 VAL 14 HG21 VAL 14 0.269 15.397 -13.680 102 HG22 VAL 14 HG22 VAL 14 0.008 13.958 -12.695 103 HG23 VAL 14 HG23 VAL 14 0.093 15.546 -11.932 104 H ASP 15 H ASP 15 2.338 10.783 -12.369 105 HA ASP 15 HA ASP 15 0.784 10.852 -9.917 106 HB2 ASP 15 HB2 ASP 15 1.801 8.601 -11.661 107 HB3 ASP 15 HB3 ASP 15 0.963 8.324 -10.129 108 H VAL 16 H VAL 16 1.679 10.930 -7.975 109 HA VAL 16 HA VAL 16 4.194 9.537 -7.473 110 HB VAL 16 HB VAL 16 3.836 12.428 -6.676 111 HG11 VAL 16 HG11 VAL 16 6.465 11.939 -6.461 112 HG12 VAL 16 HG12 VAL 16 5.327 11.714 -5.130 113 HG13 VAL 16 HG13 VAL 16 5.836 10.332 -6.101 114 HG21 VAL 16 HG21 VAL 16 5.709 12.803 -8.332 115 HG22 VAL 16 HG22 VAL 16 5.358 11.193 -8.959 116 HG23 VAL 16 HG23 VAL 16 4.126 12.452 -9.024 117 H THR 17 H THR 17 2.293 8.295 -6.482 118 HA THR 17 HA THR 17 1.492 9.387 -3.883 119 HB THR 17 HB THR 17 -0.041 7.413 -3.786 120 HG1 THR 17 HG1 THR 17 -0.200 6.073 -5.529 121 HG21 THR 17 HG21 THR 17 -1.086 8.359 -6.218 122 HG22 THR 17 HG22 THR 17 -0.198 9.708 -5.510 123 HG23 THR 17 HG23 THR 17 -1.477 8.915 -4.591 124 H ILE 18 H ILE 18 1.238 7.483 -2.187 125 HA ILE 18 HA ILE 18 3.924 6.550 -1.698 126 HB ILE 18 HB ILE 18 1.504 5.911 -0.024 127 HG12 ILE 18 HG12 ILE 18 1.517 8.319 -0.411 128 HG13 ILE 18 HG13 ILE 18 1.987 7.958 1.259 129 HG21 ILE 18 HG21 ILE 18 3.375 4.666 0.674 130 HG22 ILE 18 HG22 ILE 18 4.464 6.039 0.477 131 HG23 ILE 18 HG23 ILE 18 3.282 6.032 1.786 132 HD11 ILE 18 HD11 ILE 18 3.884 9.059 1.016 133 HD12 ILE 18 HD12 ILE 18 4.325 8.075 -0.378 134 HD13 ILE 18 HD13 ILE 18 3.362 9.534 -0.599 135 H GLU 19 H GLU 19 4.466 4.344 -1.202 136 HA GLU 19 HA GLU 19 2.734 2.171 -1.699 137 HB2 GLU 19 HB2 GLU 19 3.899 1.353 -3.795 138 HB3 GLU 19 HB3 GLU 19 2.792 2.719 -4.003 139 HG2 GLU 19 HG2 GLU 19 4.758 4.251 -3.913 140 HG3 GLU 19 HG3 GLU 19 5.796 2.818 -3.909 141 H ASP 20 H ASP 20 3.697 0.180 -1.254 142 HA ASP 20 HA ASP 20 6.497 -0.198 -1.020 143 HB2 ASP 20 HB2 ASP 20 5.018 0.788 1.347 144 HB3 ASP 20 HB3 ASP 20 6.073 -0.603 1.632 145 H SER 21 H SER 21 5.956 -2.064 -2.177 146 HA SER 21 HA SER 21 4.644 -4.156 -0.567 147 HB2 SER 21 HB2 SER 21 4.584 -4.000 -3.592 148 HB3 SER 21 HB3 SER 21 3.664 -5.095 -2.545 149 HG SER 21 HG SER 21 2.706 -3.102 -1.656 150 H TYR 22 H TYR 22 5.609 -6.139 -0.490 151 HA TYR 22 HA TYR 22 8.389 -6.261 -1.125 152 HB2 TYR 22 HB2 TYR 22 6.603 -8.552 -0.282 153 HB3 TYR 22 HB3 TYR 22 8.355 -8.439 -0.106 154 HD1 TYR 22 HD1 TYR 22 8.940 -5.958 1.102 155 HD2 TYR 22 HD2 TYR 22 5.569 -8.462 1.787 156 HE1 TYR 22 HE1 TYR 22 8.681 -4.984 3.346 157 HE2 TYR 22 HE2 TYR 22 5.300 -7.494 4.032 158 HH TYR 22 HH TYR 22 7.387 -4.864 5.163 159 H SER 23 H SER 23 9.447 -7.677 -2.555 160 HA SER 23 HA SER 23 7.791 -8.497 -4.845 161 HB2 SER 23 HB2 SER 23 9.380 -6.858 -5.544 162 HB3 SER 23 HB3 SER 23 10.690 -7.666 -4.666 163 HG SER 23 HG SER 23 10.634 -9.340 -6.136 164 H THR 24 H THR 24 9.984 -9.589 -2.413 165 HA THR 24 HA THR 24 10.614 -12.092 -3.683 166 HB THR 24 HB THR 24 10.975 -11.280 -0.791 167 HG1 THR 24 HG1 THR 24 12.501 -10.071 -1.610 168 HG21 THR 24 HG21 THR 24 11.848 -13.643 -2.406 169 HG22 THR 24 HG22 THR 24 11.204 -13.584 -0.765 170 HG23 THR 24 HG23 THR 24 12.859 -13.064 -1.082 171 H GLU 25 H GLU 25 8.094 -10.880 -1.657 172 HA GLU 25 HA GLU 25 6.924 -13.574 -1.555 173 HB2 GLU 25 HB2 GLU 25 6.687 -11.571 0.694 174 HB3 GLU 25 HB3 GLU 25 6.164 -13.262 0.691 175 HG2 GLU 25 HG2 GLU 25 8.430 -14.044 0.676 176 HG3 GLU 25 HG3 GLU 25 9.034 -12.395 0.468 177 H SER 26 H SER 26 4.523 -13.015 -0.417 178 HA SER 26 HA SER 26 2.984 -12.072 -2.513 179 HB2 SER 26 HB2 SER 26 1.136 -11.863 -0.825 180 HB3 SER 26 HB3 SER 26 1.985 -13.419 -0.783 181 HG SER 26 HG SER 26 2.509 -11.226 0.944 182 H ALA 27 H ALA 27 2.427 -10.124 -3.250 183 HA ALA 27 HA ALA 27 3.071 -7.779 -1.583 184 HB1 ALA 27 HB1 ALA 27 2.910 -7.144 -4.384 185 HB2 ALA 27 HB2 ALA 27 4.247 -6.914 -3.256 186 HB3 ALA 27 HB3 ALA 27 4.066 -8.447 -4.109 187 H TRP 28 H TRP 28 1.783 -5.809 -2.166 188 HA TRP 28 HA TRP 28 -1.024 -6.586 -2.521 189 HB2 TRP 28 HB2 TRP 28 0.348 -4.305 -1.127 190 HB3 TRP 28 HB3 TRP 28 -1.335 -4.142 -1.631 191 HD1 TRP 28 HD1 TRP 28 0.691 -5.389 1.189 192 HE1 TRP 28 HE1 TRP 28 -0.773 -6.719 2.838 193 HE3 TRP 28 HE3 TRP 28 -3.484 -5.957 -1.707 194 HZ2 TRP 28 HZ2 TRP 28 -3.354 -7.858 2.902 195 HZ3 TRP 28 HZ3 TRP 28 -5.406 -7.180 -0.777 196 HH2 TRP 28 HH2 TRP 28 -5.341 -8.110 1.480 197 H VAL 29 H VAL 29 -2.288 -5.755 -4.111 198 HA VAL 29 HA VAL 29 -1.146 -3.695 -5.864 199 HB VAL 29 HB VAL 29 -2.105 -4.967 -7.831 200 HG11 VAL 29 HG11 VAL 29 0.089 -6.530 -6.524 201 HG12 VAL 29 HG12 VAL 29 -0.107 -6.089 -8.221 202 HG13 VAL 29 HG13 VAL 29 0.348 -4.863 -7.036 203 HG21 VAL 29 HG21 VAL 29 -2.000 -7.321 -5.955 204 HG22 VAL 29 HG22 VAL 29 -3.493 -6.487 -6.389 205 HG23 VAL 29 HG23 VAL 29 -2.543 -7.300 -7.634 206 H ARG 30 H ARG 30 -2.588 -2.243 -6.664 207 HA ARG 30 HA ARG 30 -5.374 -2.554 -5.777 208 HB2 ARG 30 HB2 ARG 30 -4.105 -0.616 -4.877 209 HB3 ARG 30 HB3 ARG 30 -3.912 -0.018 -6.533 210 HG2 ARG 30 HG2 ARG 30 -6.643 -0.429 -6.300 211 HG3 ARG 30 HG3 ARG 30 -6.161 0.230 -4.728 212 HD2 ARG 30 HD2 ARG 30 -6.738 2.067 -6.166 213 HD3 ARG 30 HD3 ARG 30 -4.987 2.071 -5.915 214 HE ARG 30 HE ARG 30 -5.833 0.670 -8.286 215 HH11 ARG 30 HH11 ARG 30 -4.908 3.738 -6.924 216 HH12 ARG 30 HH12 ARG 30 -4.423 4.414 -8.443 217 HH21 ARG 30 HH21 ARG 30 -5.196 1.550 -10.293 218 HH22 ARG 30 HH22 ARG 30 -4.588 3.169 -10.359 219 H CYS 31 H CYS 31 -7.061 -2.312 -7.189 220 HA CYS 31 HA CYS 31 -6.484 -2.751 -9.965 221 HB2 CYS 31 HB2 CYS 31 -8.371 -3.850 -8.787 222 HB3 CYS 31 HB3 CYS 31 -9.148 -2.276 -8.612 223 H ASP 32 H ASP 32 -6.708 -1.378 -11.664 224 HA ASP 32 HA ASP 32 -7.008 1.456 -11.006 225 HB2 ASP 32 HB2 ASP 32 -5.022 0.539 -12.325 226 HB3 ASP 32 HB3 ASP 32 -6.157 0.305 -13.661 227 H ASP 33 H ASP 33 -9.311 -0.326 -11.128 228 HA ASP 33 HA ASP 33 -10.837 1.141 -13.158 229 HB2 ASP 33 HB2 ASP 33 -10.275 -1.120 -14.049 230 HB3 ASP 33 HB3 ASP 33 -11.131 -1.831 -12.675 231 H CYS 34 H CYS 34 -10.919 -0.920 -10.281 232 HA CYS 34 HA CYS 34 -13.408 0.439 -9.474 233 HB2 CYS 34 HB2 CYS 34 -14.004 -1.542 -8.199 234 HB3 CYS 34 HB3 CYS 34 -13.715 -1.975 -9.886 235 H PHE 35 H PHE 35 -10.139 -0.018 -8.798 236 HA PHE 35 HA PHE 35 -8.778 0.666 -7.110 237 HB2 PHE 35 HB2 PHE 35 -11.200 2.171 -6.088 238 HB3 PHE 35 HB3 PHE 35 -9.509 2.502 -5.705 239 HD1 PHE 35 HD2 PHE 35 -7.985 2.850 -7.891 240 HD2 PHE 35 HD1 PHE 35 -12.174 3.562 -7.637 241 HE1 PHE 35 HE2 PHE 35 -7.834 4.404 -9.793 242 HE2 PHE 35 HE1 PHE 35 -12.029 5.116 -9.539 243 HZ PHE 35 HZ PHE 35 -9.856 5.539 -10.619 244 H LYS 36 H LYS 36 -8.925 -1.628 -6.462 245 HA LYS 36 HA LYS 36 -9.883 -1.814 -3.702 246 HB2 LYS 36 HB2 LYS 36 -11.345 -2.942 -5.693 247 HB3 LYS 36 HB3 LYS 36 -10.241 -4.270 -5.302 248 HG2 LYS 36 HG2 LYS 36 -12.006 -4.723 -3.903 249 HG3 LYS 36 HG3 LYS 36 -10.946 -3.775 -2.846 250 HD2 LYS 36 HD2 LYS 36 -12.241 -1.771 -3.242 251 HD3 LYS 36 HD3 LYS 36 -13.243 -2.624 -4.431 252 HE2 LYS 36 HE2 LYS 36 -13.635 -4.262 -2.361 253 HE3 LYS 36 HE3 LYS 36 -13.264 -2.781 -1.465 254 HZ1 LYS 36 HZ1 LYS 36 -15.614 -3.463 -2.972 255 HZ2 LYS 36 HZ2 LYS 36 -15.014 -1.925 -3.342 256 HZ3 LYS 36 HZ3 LYS 36 -15.412 -2.315 -1.745 257 H TRP 37 H TRP 37 -8.629 -3.068 -2.367 258 HA TRP 37 HA TRP 37 -5.956 -3.570 -3.221 259 HB2 TRP 37 HB2 TRP 37 -7.492 -3.869 -0.677 260 HB3 TRP 37 HB3 TRP 37 -5.982 -4.764 -0.838 261 HD1 TRP 37 HD1 TRP 37 -6.970 -1.781 0.729 262 HE1 TRP 37 HE1 TRP 37 -5.125 0.014 0.771 263 HE3 TRP 37 HE3 TRP 37 -3.906 -3.683 -2.895 264 HZ2 TRP 37 HZ2 TRP 37 -2.694 0.553 -0.559 265 HZ3 TRP 37 HZ3 TRP 37 -1.840 -2.466 -3.450 266 HH2 TRP 37 HH2 TRP 37 -1.249 -0.392 -2.305 267 H ARG 38 H ARG 38 -4.932 -5.463 -3.687 268 HA ARG 38 HA ARG 38 -6.423 -7.968 -3.464 269 HB2 ARG 38 HB2 ARG 38 -6.274 -6.596 -5.867 270 HB3 ARG 38 HB3 ARG 38 -4.972 -7.788 -5.988 271 HG2 ARG 38 HG2 ARG 38 -6.771 -8.918 -6.900 272 HG3 ARG 38 HG3 ARG 38 -6.759 -9.486 -5.223 273 HD2 ARG 38 HD2 ARG 38 -8.601 -8.177 -4.621 274 HD3 ARG 38 HD3 ARG 38 -8.401 -7.110 -6.018 275 HE ARG 38 HE ARG 38 -9.019 -9.832 -6.716 276 HH11 ARG 38 HH11 ARG 38 -10.320 -6.717 -5.863 277 HH12 ARG 38 HH12 ARG 38 -11.851 -7.003 -6.623 278 HH21 ARG 38 HH21 ARG 38 -11.030 -10.220 -7.720 279 HH22 ARG 38 HH22 ARG 38 -12.254 -8.996 -7.678 280 H ARG 39 H ARG 39 -5.181 -9.493 -2.604 281 HA ARG 39 HA ARG 39 -2.324 -9.047 -2.367 282 HB2 ARG 39 HB2 ARG 39 -4.004 -9.938 -0.555 283 HB3 ARG 39 HB3 ARG 39 -3.702 -11.496 -1.339 284 HG2 ARG 39 HG2 ARG 39 -1.164 -10.655 -1.024 285 HG3 ARG 39 HG3 ARG 39 -1.938 -9.863 0.360 286 HD2 ARG 39 HD2 ARG 39 -2.967 -12.129 0.907 287 HD3 ARG 39 HD3 ARG 39 -1.841 -12.799 -0.281 288 HE ARG 39 HE ARG 39 -0.585 -11.172 1.736 289 HH11 ARG 39 HH11 ARG 39 -1.666 -14.365 0.871 290 HH12 ARG 39 HH12 ARG 39 -0.582 -15.168 1.958 291 HH21 ARG 39 HH21 ARG 39 0.848 -12.217 3.170 292 HH22 ARG 39 HH22 ARG 39 0.847 -13.945 3.266 293 H ILE 40 H ILE 40 -0.861 -9.898 -3.683 294 HA ILE 40 HA ILE 40 -1.543 -12.351 -5.162 295 HB ILE 40 HB ILE 40 -0.540 -11.551 -7.155 296 HG12 ILE 40 HG12 ILE 40 0.324 -9.159 -5.515 297 HG13 ILE 40 HG13 ILE 40 1.374 -10.388 -6.238 298 HG21 ILE 40 HG21 ILE 40 -2.832 -10.777 -6.739 299 HG22 ILE 40 HG22 ILE 40 -2.192 -9.301 -6.019 300 HG23 ILE 40 HG23 ILE 40 -1.919 -9.637 -7.728 301 HD11 ILE 40 HD11 ILE 40 -0.244 -8.310 -7.683 302 HD12 ILE 40 HD12 ILE 40 1.513 -8.441 -7.588 303 HD13 ILE 40 HD13 ILE 40 0.585 -9.645 -8.483 304 HA PRO 41 HA PRO 41 2.283 -13.990 -3.762 305 HB2 PRO 41 HB2 PRO 41 2.923 -15.657 -5.838 306 HB3 PRO 41 HB3 PRO 41 1.625 -15.985 -4.691 307 HG2 PRO 41 HG2 PRO 41 1.480 -14.768 -7.429 308 HG3 PRO 41 HG3 PRO 41 0.441 -16.044 -6.692 309 HD2 PRO 41 HD2 PRO 41 -0.339 -13.452 -6.889 310 HD3 PRO 41 HD3 PRO 41 -0.811 -14.492 -5.535 311 H ALA 42 H ALA 42 4.549 -13.944 -4.082 312 HA ALA 42 HA ALA 42 5.511 -11.662 -5.455 313 HB1 ALA 42 HB1 ALA 42 7.159 -11.953 -4.000 314 HB2 ALA 42 HB2 ALA 42 6.516 -13.536 -3.563 315 HB3 ALA 42 HB3 ALA 42 7.678 -13.390 -4.882 316 H SER 43 H SER 43 4.793 -14.780 -6.530 317 HA SER 43 HA SER 43 6.807 -14.988 -8.563 318 HB2 SER 43 HB2 SER 43 4.193 -16.473 -8.155 319 HB3 SER 43 HB3 SER 43 5.393 -16.877 -9.396 320 HG SER 43 HG SER 43 5.678 -18.143 -7.519 321 H VAL 44 H VAL 44 3.467 -13.881 -8.405 322 HA VAL 44 HA VAL 44 3.438 -13.309 -11.265 323 HB VAL 44 HB VAL 44 1.438 -14.288 -10.085 324 HG11 VAL 44 HG11 VAL 44 1.606 -12.915 -8.047 325 HG12 VAL 44 HG12 VAL 44 1.161 -11.491 -8.989 326 HG13 VAL 44 HG13 VAL 44 0.012 -12.815 -8.794 327 HG21 VAL 44 HG21 VAL 44 1.564 -12.147 -12.009 328 HG22 VAL 44 HG22 VAL 44 0.507 -13.558 -11.970 329 HG23 VAL 44 HG23 VAL 44 0.051 -12.091 -11.104 330 H VAL 45 H VAL 45 3.727 -11.682 -8.198 331 HA VAL 45 HA VAL 45 3.078 -9.073 -8.884 332 HB VAL 45 HB VAL 45 3.832 -10.102 -6.599 333 HG11 VAL 45 HG11 VAL 45 6.430 -8.817 -7.383 334 HG12 VAL 45 HG12 VAL 45 6.071 -9.815 -5.972 335 HG13 VAL 45 HG13 VAL 45 6.152 -10.548 -7.575 336 HG21 VAL 45 HG21 VAL 45 3.847 -7.381 -7.655 337 HG22 VAL 45 HG22 VAL 45 3.117 -8.021 -6.183 338 HG23 VAL 45 HG23 VAL 45 4.823 -7.576 -6.199 339 H GLY 46 H GLY 46 5.835 -10.976 -9.774 340 HA2 GLY 46 HA2 GLY 46 7.235 -8.605 -10.798 341 HA3 GLY 46 HA3 GLY 46 7.932 -10.206 -10.610 342 H SER 47 H SER 47 4.792 -9.957 -12.017 343 HA SER 47 HA SER 47 5.923 -10.182 -14.718 344 HB2 SER 47 HB2 SER 47 3.652 -11.947 -13.784 345 HB3 SER 47 HB3 SER 47 4.638 -12.103 -15.249 346 HG SER 47 HG SER 47 5.417 -13.585 -13.808 347 H ILE 48 H ILE 48 3.070 -9.629 -12.711 348 HA ILE 48 HA ILE 48 1.370 -8.730 -14.781 349 HB ILE 48 HB ILE 48 -0.003 -7.746 -12.996 350 HG12 ILE 48 HG12 ILE 48 1.029 -8.513 -10.614 351 HG13 ILE 48 HG13 ILE 48 2.515 -8.087 -11.480 352 HG21 ILE 48 HG21 ILE 48 -0.800 -9.808 -12.816 353 HG22 ILE 48 HG22 ILE 48 0.770 -10.481 -13.252 354 HG23 ILE 48 HG23 ILE 48 0.394 -10.142 -11.563 355 HD11 ILE 48 HD11 ILE 48 0.232 -6.337 -10.696 356 HD12 ILE 48 HD12 ILE 48 1.965 -6.100 -10.464 357 HD13 ILE 48 HD13 ILE 48 1.255 -5.901 -12.066 358 H ASP 49 H ASP 49 3.929 -7.214 -13.020 359 HA ASP 49 HA ASP 49 3.127 -4.515 -13.598 360 HB2 ASP 49 HB2 ASP 49 5.392 -3.921 -12.747 361 HB3 ASP 49 HB3 ASP 49 4.459 -4.923 -11.624 362 H GLU 50 H GLU 50 2.813 -4.969 -15.937 363 HA GLU 50 HA GLU 50 5.188 -5.311 -17.545 364 HB2 GLU 50 HB2 GLU 50 3.703 -5.208 -19.455 365 HB3 GLU 50 HB3 GLU 50 3.021 -6.285 -18.225 366 HG2 GLU 50 HG2 GLU 50 1.743 -4.126 -17.466 367 HG3 GLU 50 HG3 GLU 50 2.087 -3.605 -19.121 368 H SER 51 H SER 51 3.143 -2.701 -16.464 369 HA SER 51 HA SER 51 4.998 -0.796 -17.709 370 HB2 SER 51 HB2 SER 51 3.269 -0.500 -19.213 371 HB3 SER 51 HB3 SER 51 2.027 -0.918 -18.019 372 HG SER 51 HG SER 51 2.180 1.367 -18.611 373 H SER 52 H SER 52 2.016 -0.448 -15.805 374 HA SER 52 HA SER 52 3.212 0.048 -13.329 375 HB2 SER 52 HB2 SER 52 2.743 2.600 -13.321 376 HB3 SER 52 HB3 SER 52 4.233 2.019 -14.086 377 HG SER 52 HG SER 52 1.861 2.407 -15.572 378 H ARG 53 H ARG 53 0.918 -1.243 -14.404 379 HA ARG 53 HA ARG 53 -1.103 -0.073 -12.678 380 HB2 ARG 53 HB2 ARG 53 -2.819 0.091 -14.302 381 HB3 ARG 53 HB3 ARG 53 -1.410 0.909 -14.993 382 HG2 ARG 53 HG2 ARG 53 -1.165 -1.733 -15.845 383 HG3 ARG 53 HG3 ARG 53 -2.891 -1.354 -15.990 384 HD2 ARG 53 HD2 ARG 53 -1.767 0.920 -16.998 385 HD3 ARG 53 HD3 ARG 53 -0.598 -0.310 -17.496 386 HE ARG 53 HE ARG 53 -2.121 -1.092 -19.009 387 HH11 ARG 53 HH11 ARG 53 -3.774 0.861 -16.648 388 HH12 ARG 53 HH12 ARG 53 -5.291 0.819 -17.484 389 HH21 ARG 53 HH21 ARG 53 -4.113 -1.155 -20.118 390 HH22 ARG 53 HH22 ARG 53 -5.483 -0.329 -19.457 391 H TRP 54 H TRP 54 -3.109 -1.551 -12.666 392 HA TRP 54 HA TRP 54 -2.780 -4.274 -13.435 393 HB2 TRP 54 HB2 TRP 54 -1.210 -4.353 -11.602 394 HB3 TRP 54 HB3 TRP 54 -2.362 -3.557 -10.529 395 HD1 TRP 54 HD1 TRP 54 -1.381 -6.961 -11.780 396 HE1 TRP 54 HE1 TRP 54 -2.875 -8.748 -10.685 397 HE3 TRP 54 HE3 TRP 54 -4.881 -3.900 -9.653 398 HZ2 TRP 54 HZ2 TRP 54 -5.226 -8.847 -9.126 399 HZ3 TRP 54 HZ3 TRP 54 -6.720 -4.921 -8.376 400 HH2 TRP 54 HH2 TRP 54 -6.888 -7.343 -8.120 401 H ILE 55 H ILE 55 -4.661 -5.475 -13.171 402 HA ILE 55 HA ILE 55 -6.914 -4.139 -11.844 403 HB ILE 55 HB ILE 55 -8.351 -5.018 -13.783 404 HG12 ILE 55 HG12 ILE 55 -5.608 -5.008 -15.065 405 HG13 ILE 55 HG13 ILE 55 -6.686 -6.401 -14.877 406 HG21 ILE 55 HG21 ILE 55 -8.046 -2.966 -15.043 407 HG22 ILE 55 HG22 ILE 55 -7.926 -2.645 -13.314 408 HG23 ILE 55 HG23 ILE 55 -6.466 -2.722 -14.299 409 HD11 ILE 55 HD11 ILE 55 -8.262 -4.645 -16.254 410 HD12 ILE 55 HD12 ILE 55 -6.661 -4.337 -16.927 411 HD13 ILE 55 HD13 ILE 55 -7.333 -5.967 -16.960 412 H CYS 56 H CYS 56 -8.828 -5.651 -11.646 413 HA CYS 56 HA CYS 56 -8.091 -7.943 -10.229 414 HB2 CYS 56 HB2 CYS 56 -10.765 -7.394 -11.540 415 HB3 CYS 56 HB3 CYS 56 -10.464 -8.495 -10.195 416 H MET 57 H MET 57 -9.493 -7.671 -13.492 417 HA MET 57 HA MET 57 -9.504 -10.399 -14.096 418 HB2 MET 57 HB2 MET 57 -9.520 -9.662 -16.484 419 HB3 MET 57 HB3 MET 57 -10.734 -8.866 -15.472 420 HG2 MET 57 HG2 MET 57 -8.524 -7.191 -15.310 421 HG3 MET 57 HG3 MET 57 -8.557 -7.723 -16.993 422 HE1 MET 57 HE1 MET 57 -10.085 -5.937 -14.155 423 HE2 MET 57 HE2 MET 57 -11.401 -4.965 -14.813 424 HE3 MET 57 HE3 MET 57 -11.674 -6.660 -14.407 425 H ASN 58 H ASN 58 -6.903 -8.178 -13.863 426 HA ASN 58 HA ASN 58 -5.102 -9.736 -15.514 427 HB2 ASN 58 HB2 ASN 58 -5.007 -7.131 -14.094 428 HB3 ASN 58 HB3 ASN 58 -3.469 -7.987 -14.263 429 HD21 ASN 58 HD21 ASN 58 -6.239 -7.854 -16.454 430 HD22 ASN 58 HD22 ASN 58 -5.376 -7.171 -17.786 431 H ASN 59 H ASN 59 -6.257 -9.913 -12.383 432 HA ASN 59 HA ASN 59 -4.063 -10.566 -10.822 433 HB2 ASN 59 HB2 ASN 59 -6.505 -10.305 -10.116 434 HB3 ASN 59 HB3 ASN 59 -6.718 -11.986 -10.621 435 HD21 ASN 59 HD21 ASN 59 -7.334 -12.192 -8.329 436 HD22 ASN 59 HD22 ASN 59 -6.086 -12.508 -7.177 437 H SER 60 H SER 60 -3.370 -12.705 -10.054 438 HA SER 60 HA SER 60 -2.828 -14.437 -12.297 439 HB2 SER 60 HB2 SER 60 -1.327 -13.743 -10.178 440 HB3 SER 60 HB3 SER 60 -2.032 -15.242 -9.548 441 HG SER 60 HG SER 60 -0.727 -16.309 -10.783 442 H ASP 61 H ASP 61 -4.941 -14.397 -9.546 443 HA ASP 61 HA ASP 61 -5.537 -17.174 -9.478 444 HB2 ASP 61 HB2 ASP 61 -6.045 -15.121 -7.804 445 HB3 ASP 61 HB3 ASP 61 -7.615 -15.243 -8.611 446 H LYS 62 H LYS 62 -8.194 -17.506 -9.597 447 HA LYS 62 HA LYS 62 -8.963 -16.691 -12.321 448 HB2 LYS 62 HB2 LYS 62 -10.085 -18.990 -12.459 449 HB3 LYS 62 HB3 LYS 62 -8.323 -18.930 -12.620 450 HG2 LYS 62 HG2 LYS 62 -9.076 -19.257 -9.854 451 HG3 LYS 62 HG3 LYS 62 -9.808 -20.511 -10.872 452 HD2 LYS 62 HD2 LYS 62 -7.692 -21.214 -11.703 453 HD3 LYS 62 HD3 LYS 62 -6.886 -19.794 -11.014 454 HE2 LYS 62 HE2 LYS 62 -7.453 -20.605 -8.738 455 HE3 LYS 62 HE3 LYS 62 -8.163 -22.051 -9.471 456 HZ1 LYS 62 HZ1 LYS 62 -5.367 -21.337 -9.121 457 HZ2 LYS 62 HZ2 LYS 62 -5.755 -22.094 -10.584 458 HZ3 LYS 62 HZ3 LYS 62 -6.107 -22.859 -9.116 459 H ARG 63 H ARG 63 -10.006 -17.727 -9.118 460 HA ARG 63 HA ARG 63 -12.782 -17.121 -9.679 461 HB2 ARG 63 HB2 ARG 63 -11.250 -18.339 -7.449 462 HB3 ARG 63 HB3 ARG 63 -12.747 -17.499 -7.015 463 HG2 ARG 63 HG2 ARG 63 -13.682 -19.507 -7.394 464 HG3 ARG 63 HG3 ARG 63 -13.629 -18.975 -9.083 465 HD2 ARG 63 HD2 ARG 63 -12.250 -20.640 -9.619 466 HD3 ARG 63 HD3 ARG 63 -11.104 -20.115 -8.379 467 HE ARG 63 HE ARG 63 -11.796 -21.858 -7.087 468 HH11 ARG 63 HH11 ARG 63 -14.293 -21.143 -9.406 469 HH12 ARG 63 HH12 ARG 63 -15.289 -22.482 -8.940 470 HH21 ARG 63 HH21 ARG 63 -13.098 -23.624 -6.466 471 HH22 ARG 63 HH22 ARG 63 -14.610 -23.892 -7.267 472 H PHE 64 H PHE 64 -10.015 -15.508 -8.448 473 HA PHE 64 HA PHE 64 -11.709 -13.276 -7.534 474 HB2 PHE 64 HB2 PHE 64 -9.121 -14.372 -6.484 475 HB3 PHE 64 HB3 PHE 64 -9.488 -12.660 -6.268 476 HD1 PHE 64 HD1 PHE 64 -11.368 -15.870 -5.924 477 HD2 PHE 64 HD2 PHE 64 -10.336 -12.108 -4.220 478 HE1 PHE 64 HE1 PHE 64 -12.740 -16.391 -3.949 479 HE2 PHE 64 HE2 PHE 64 -11.705 -12.623 -2.243 480 HZ PHE 64 HZ PHE 64 -12.910 -14.768 -2.104 481 H ALA 65 H ALA 65 -10.542 -13.978 -10.226 482 HA ALA 65 HA ALA 65 -8.866 -11.592 -10.632 483 HB1 ALA 65 HB1 ALA 65 -9.159 -13.703 -12.717 484 HB2 ALA 65 HB2 ALA 65 -7.791 -12.645 -12.365 485 HB3 ALA 65 HB3 ALA 65 -8.142 -14.016 -11.310 486 H ASP 66 H ASP 66 -11.045 -10.473 -10.455 487 HA ASP 66 HA ASP 66 -11.840 -9.563 -12.981 488 HB2 ASP 66 HB2 ASP 66 -13.306 -11.889 -11.953 489 HB3 ASP 66 HB3 ASP 66 -14.348 -10.525 -12.378 490 H CYS 67 H CYS 67 -13.063 -7.712 -12.840 491 HA CYS 67 HA CYS 67 -13.126 -6.379 -10.361 492 HB2 CYS 67 HB2 CYS 67 -14.020 -5.823 -13.129 493 HB3 CYS 67 HB3 CYS 67 -14.851 -4.919 -11.861 494 H SER 68 H SER 68 -15.396 -8.448 -11.942 495 HA SER 68 HA SER 68 -17.756 -7.586 -10.647 496 HB2 SER 68 HB2 SER 68 -16.909 -9.901 -12.275 497 HB3 SER 68 HB3 SER 68 -18.227 -10.231 -11.137 498 HG SER 68 HG SER 68 -19.250 -9.480 -12.901 499 H LYS 69 H LYS 69 -15.190 -9.787 -9.740 500 HA LYS 69 HA LYS 69 -16.476 -11.064 -7.588 501 HB2 LYS 69 HB2 LYS 69 -13.522 -10.453 -7.829 502 HB3 LYS 69 HB3 LYS 69 -14.273 -11.745 -6.877 503 HG2 LYS 69 HG2 LYS 69 -14.212 -11.531 -9.889 504 HG3 LYS 69 HG3 LYS 69 -13.302 -12.669 -8.877 505 HD2 LYS 69 HD2 LYS 69 -15.023 -14.054 -9.376 506 HD3 LYS 69 HD3 LYS 69 -15.794 -13.207 -8.024 507 HE2 LYS 69 HE2 LYS 69 -17.356 -12.320 -9.353 508 HE3 LYS 69 HE3 LYS 69 -16.127 -11.735 -10.484 509 HZ1 LYS 69 HZ1 LYS 69 -16.052 -14.025 -11.414 510 HZ2 LYS 69 HZ2 LYS 69 -17.533 -13.241 -11.639 511 HZ3 LYS 69 HZ3 LYS 69 -17.377 -14.426 -10.441 512 H SER 70 H SER 70 -14.973 -10.733 -5.351 513 HA SER 70 HA SER 70 -15.501 -7.933 -4.597 514 HB2 SER 70 HB2 SER 70 -15.881 -10.497 -3.041 515 HB3 SER 70 HB3 SER 70 -15.821 -8.911 -2.253 516 HG SER 70 HG SER 70 -17.524 -8.379 -3.932 517 H GLN 71 H GLN 71 -14.323 -7.662 -2.252 518 HA GLN 71 HA GLN 71 -11.541 -7.631 -2.901 519 HB2 GLN 71 HB2 GLN 71 -12.839 -5.908 -1.527 520 HB3 GLN 71 HB3 GLN 71 -12.715 -7.059 -0.187 521 HG2 GLN 71 HG2 GLN 71 -10.408 -6.840 -0.022 522 HG3 GLN 71 HG3 GLN 71 -10.266 -6.171 -1.654 523 HE21 GLN 71 HE21 GLN 71 -8.956 -4.819 0.146 524 HE22 GLN 71 HE22 GLN 71 -9.763 -3.360 0.597 525 H GLU 72 H GLU 72 -9.859 -8.461 -1.401 526 HA GLU 72 HA GLU 72 -10.471 -11.229 -0.715 527 HB2 GLU 72 HB2 GLU 72 -7.773 -9.869 -0.650 528 HB3 GLU 72 HB3 GLU 72 -8.111 -11.606 -0.701 529 HG2 GLU 72 HG2 GLU 72 -9.355 -10.795 -2.964 530 HG3 GLU 72 HG3 GLU 72 -8.022 -9.635 -2.873 531 H MET 73 H MET 73 -9.342 -8.246 0.779 532 HA MET 73 HA MET 73 -9.936 -9.412 3.402 533 HB2 MET 73 HB2 MET 73 -7.373 -8.096 2.540 534 HB3 MET 73 HB3 MET 73 -7.891 -8.044 4.233 535 HG2 MET 73 HG2 MET 73 -7.722 -10.367 4.493 536 HG3 MET 73 HG3 MET 73 -7.687 -10.635 2.747 537 HE1 MET 73 HE1 MET 73 -4.187 -8.357 4.672 538 HE2 MET 73 HE2 MET 73 -5.662 -7.629 4.039 539 HE3 MET 73 HE3 MET 73 -5.718 -8.597 5.513 540 H SER 74 H SER 74 -10.144 -7.723 5.107 541 HA SER 74 HA SER 74 -11.732 -5.539 4.087 542 HB2 SER 74 HB2 SER 74 -11.009 -6.197 6.959 543 HB3 SER 74 HB3 SER 74 -12.303 -5.117 6.411 544 HG SER 74 HG SER 74 -13.276 -6.956 5.406 545 H ASN 75 H ASN 75 -11.417 -3.315 4.697 546 HA ASN 75 HA ASN 75 -8.927 -2.289 4.110 547 HB2 ASN 75 HB2 ASN 75 -11.332 -1.167 5.512 548 HB3 ASN 75 HB3 ASN 75 -9.849 -0.209 5.423 549 HD21 ASN 75 HD21 ASN 75 -8.864 -0.665 2.997 550 HD22 ASN 75 HD22 ASN 75 -9.972 -0.170 1.767 551 H GLU 76 H GLU 76 -10.322 -3.001 7.282 552 HA GLU 76 HA GLU 76 -8.271 -1.897 8.848 553 HB2 GLU 76 HB2 GLU 76 -9.097 -3.443 10.632 554 HB3 GLU 76 HB3 GLU 76 -10.363 -2.464 9.872 555 HG2 GLU 76 HG2 GLU 76 -10.484 -4.659 8.315 556 HG3 GLU 76 HG3 GLU 76 -9.950 -5.378 9.842 557 H GLU 77 H GLU 77 -8.746 -5.210 7.651 558 HA GLU 77 HA GLU 77 -6.491 -6.361 8.834 559 HB2 GLU 77 HB2 GLU 77 -8.536 -7.300 7.332 560 HB3 GLU 77 HB3 GLU 77 -7.227 -7.337 6.142 561 HG2 GLU 77 HG2 GLU 77 -6.983 -9.420 7.011 562 HG3 GLU 77 HG3 GLU 77 -5.931 -8.517 8.110 563 H ILE 78 H ILE 78 -6.878 -4.769 5.694 564 HA ILE 78 HA ILE 78 -4.226 -5.236 4.806 565 HB ILE 78 HB ILE 78 -6.131 -3.050 3.959 566 HG12 ILE 78 HG12 ILE 78 -5.615 -5.584 2.435 567 HG13 ILE 78 HG13 ILE 78 -6.787 -5.579 3.764 568 HG21 ILE 78 HG21 ILE 78 -4.780 -3.135 1.846 569 HG22 ILE 78 HG22 ILE 78 -3.932 -2.486 3.249 570 HG23 ILE 78 HG23 ILE 78 -3.615 -4.135 2.713 571 HD11 ILE 78 HD11 ILE 78 -7.259 -4.874 1.119 572 HD12 ILE 78 HD12 ILE 78 -8.338 -4.642 2.496 573 HD13 ILE 78 HD13 ILE 78 -7.244 -3.349 2.004 574 H ASN 79 H ASN 79 -5.793 -2.387 6.255 575 HA ASN 79 HA ASN 79 -3.651 -0.644 6.244 576 HB2 ASN 79 HB2 ASN 79 -5.297 0.594 7.116 577 HB3 ASN 79 HB3 ASN 79 -6.188 -0.849 7.617 578 HD21 ASN 79 HD21 ASN 79 -6.087 -1.544 9.699 579 HD22 ASN 79 HD22 ASN 79 -5.289 -0.674 10.959 580 H GLU 80 H GLU 80 -4.515 -3.033 8.729 581 HA GLU 80 HA GLU 80 -2.226 -2.441 10.347 582 HB2 GLU 80 HB2 GLU 80 -3.058 -3.956 11.861 583 HB3 GLU 80 HB3 GLU 80 -4.538 -3.512 10.994 584 HG2 GLU 80 HG2 GLU 80 -4.756 -5.781 11.017 585 HG3 GLU 80 HG3 GLU 80 -3.900 -5.556 9.486 586 H GLU 81 H GLU 81 -2.945 -4.633 7.746 587 HA GLU 81 HA GLU 81 -0.925 -6.533 8.139 588 HB2 GLU 81 HB2 GLU 81 -2.660 -6.977 6.555 589 HB3 GLU 81 HB3 GLU 81 -2.253 -5.529 5.622 590 HG2 GLU 81 HG2 GLU 81 -1.512 -7.703 4.614 591 HG3 GLU 81 HG3 GLU 81 -0.250 -6.483 4.820 592 H LEU 82 H LEU 82 -0.903 -3.610 6.100 593 HA LEU 82 HA LEU 82 1.949 -3.865 5.661 594 HB2 LEU 82 HB2 LEU 82 0.142 -1.585 4.855 595 HB3 LEU 82 HB3 LEU 82 1.732 -1.997 4.191 596 HG LEU 82 HG LEU 82 0.203 -4.265 3.725 597 HD11 LEU 82 HD11 LEU 82 -1.542 -2.002 4.005 598 HD12 LEU 82 HD12 LEU 82 -1.936 -3.688 3.673 599 HD13 LEU 82 HD13 LEU 82 -1.561 -2.592 2.343 600 HD21 LEU 82 HD21 LEU 82 0.125 -2.996 1.353 601 HD22 LEU 82 HD22 LEU 82 1.566 -3.787 1.992 602 HD23 LEU 82 HD23 LEU 82 1.362 -2.044 2.172 603 H GLY 83 H GLY 83 -0.240 -2.031 7.660 604 HA2 GLY 83 HA2 GLY 83 0.374 -0.985 9.676 605 HA3 GLY 83 HA3 GLY 83 2.047 -0.981 9.141 606 H ILE 84 H ILE 84 -0.754 0.207 7.347 607 HA ILE 84 HA ILE 84 0.506 2.863 7.318 608 HB ILE 84 HB ILE 84 -0.799 3.324 5.311 609 HG12 ILE 84 HG12 ILE 84 -1.774 0.466 5.544 610 HG13 ILE 84 HG13 ILE 84 -2.750 1.895 5.926 611 HG21 ILE 84 HG21 ILE 84 1.028 2.513 4.335 612 HG22 ILE 84 HG22 ILE 84 1.187 1.238 5.542 613 HG23 ILE 84 HG23 ILE 84 0.154 0.995 4.134 614 HD11 ILE 84 HD11 ILE 84 -2.947 2.530 3.721 615 HD12 ILE 84 HD12 ILE 84 -1.514 1.628 3.225 616 HD13 ILE 84 HD13 ILE 84 -3.004 0.771 3.615 617 H GLY 85 H GLY 85 -1.464 4.530 6.674 618 HA2 GLY 85 HA2 GLY 85 -3.410 4.229 8.879 619 HA3 GLY 85 HA3 GLY 85 -2.688 5.766 8.432 620 H GLN 86 H GLN 86 -4.459 3.114 6.832 621 HA GLN 86 HA GLN 86 -5.502 4.554 4.723 622 HB2 GLN 86 HB2 GLN 86 -6.186 2.062 6.131 623 HB3 GLN 86 HB3 GLN 86 -7.541 2.817 5.274 624 HG2 GLN 86 HG2 GLN 86 -6.570 2.556 3.197 625 HG3 GLN 86 HG3 GLN 86 -4.938 2.441 3.871 626 HE21 GLN 86 HE21 GLN 86 -4.694 0.565 2.535 627 HE22 GLN 86 HE22 GLN 86 -5.315 -0.958 3.060 628 H ASP 87 H ASP 87 -7.846 5.132 4.392 629 HA ASP 87 HA ASP 87 -8.664 6.891 6.568 630 HB2 ASP 87 HB2 ASP 87 -8.588 7.221 3.834 631 HB3 ASP 87 HB3 ASP 87 -10.300 6.896 4.134 632 H GLU 88 H GLU 88 -9.093 3.832 6.283 633 HA GLU 88 HA GLU 88 -11.770 3.218 5.985 634 HB2 GLU 88 HB2 GLU 88 -9.879 1.598 6.309 635 HB3 GLU 88 HB3 GLU 88 -9.938 1.975 8.038 636 HG2 GLU 88 HG2 GLU 88 -12.419 1.301 7.895 637 HG3 GLU 88 HG3 GLU 88 -11.960 0.546 6.363 638 H ALA 89 H ALA 89 -10.073 4.261 8.925 639 HA ALA 89 HA ALA 89 -10.819 5.086 10.913 640 HB1 ALA 89 HB1 ALA 89 -12.475 6.743 10.825 641 HB2 ALA 89 HB2 ALA 89 -11.741 6.759 9.222 642 HB3 ALA 89 HB3 ALA 89 -13.300 5.972 9.471 643 H ASP 90 H ASP 90 -11.081 3.037 11.881 644 HA ASP 90 HA ASP 90 -13.897 2.273 12.261 645 HB2 ASP 90 HB2 ASP 90 -12.678 0.670 10.762 646 HB3 ASP 90 HB3 ASP 90 -11.594 0.320 12.113 647 H ALA 91 H ALA 91 -10.626 1.719 13.575 648 HA ALA 91 HA ALA 91 -9.821 1.734 15.704 649 HB1 ALA 91 HB1 ALA 91 -10.909 3.981 15.718 650 HB2 ALA 91 HB2 ALA 91 -12.330 3.229 16.445 651 HB3 ALA 91 HB3 ALA 91 -10.790 3.219 17.305 652 H TYR 92 H TYR 92 -11.998 -0.219 14.697 653 HA TYR 92 HA TYR 92 -13.124 -2.040 15.471 654 HB2 TYR 92 HB2 TYR 92 -10.661 -1.991 16.703 655 HB3 TYR 92 HB3 TYR 92 -11.766 -2.157 18.070 656 HD1 TYR 92 HD2 TYR 92 -11.626 -3.597 14.616 657 HD2 TYR 92 HD1 TYR 92 -11.994 -4.328 18.792 658 HE1 TYR 92 HE2 TYR 92 -11.850 -6.005 14.170 659 HE2 TYR 92 HE1 TYR 92 -12.217 -6.738 18.357 660 HH TYR 92 HH TYR 92 -12.099 -8.350 16.815 661 H ASP 93 H ASP 93 -14.003 -2.921 17.861 662 HA ASP 93 HA ASP 93 -15.231 -0.756 19.343 663 HB2 ASP 93 HB2 ASP 93 -16.630 -1.400 17.200 664 HB3 ASP 93 HB3 ASP 93 -17.137 -2.763 18.207 665 H CYS 94 H CYS 94 -13.385 -2.812 20.020 666 HA CYS 94 HA CYS 94 -15.017 -4.410 21.884 667 HB2 CYS 94 HB2 CYS 94 -13.649 -5.561 19.958 668 HB3 CYS 94 HB3 CYS 94 -12.279 -5.280 21.034 669 H ASP 95 H ASP 95 -14.321 -4.597 24.001 670 HA ASP 95 HA ASP 95 -11.885 -3.199 24.799 671 HB2 ASP 95 HB2 ASP 95 -13.027 -1.887 26.510 672 HB3 ASP 95 HB3 ASP 95 -13.668 -1.501 24.908 673 H ALA 96 H ALA 96 -12.700 -5.986 24.722 674 HA ALA 96 HA ALA 96 -13.457 -6.937 27.262 675 HB1 ALA 96 HB1 ALA 96 -12.996 -9.069 26.464 676 HB2 ALA 96 HB2 ALA 96 -13.380 -8.167 24.998 677 HB3 ALA 96 HB3 ALA 96 -11.699 -8.502 25.412 678 H ALA 97 H ALA 97 -10.405 -5.886 25.970 679 HA ALA 97 HA ALA 97 -8.583 -7.138 27.624 680 HB1 ALA 97 HB1 ALA 97 -7.139 -5.804 26.585 681 HB2 ALA 97 HB2 ALA 97 -8.518 -5.059 25.776 682 HB3 ALA 97 HB3 ALA 97 -7.885 -4.359 27.266 683 H LYS 98 H LYS 98 -10.580 -4.296 28.276 684 HA LYS 98 HA LYS 98 -11.129 -3.225 30.205 685 HB2 LYS 98 HB2 LYS 98 -11.286 -5.839 30.814 686 HB3 LYS 98 HB3 LYS 98 -10.012 -5.353 31.946 687 HG2 LYS 98 HG2 LYS 98 -11.884 -5.059 33.237 688 HG3 LYS 98 HG3 LYS 98 -11.671 -3.437 32.557 689 HD2 LYS 98 HD2 LYS 98 -13.264 -5.154 30.824 690 HD3 LYS 98 HD3 LYS 98 -13.971 -4.974 32.438 691 HE2 LYS 98 HE2 LYS 98 -14.020 -2.592 32.254 692 HE3 LYS 98 HE3 LYS 98 -13.041 -2.638 30.781 693 HZ1 LYS 98 HZ1 LYS 98 -14.945 -3.951 29.785 694 HZ2 LYS 98 HZ2 LYS 98 -15.225 -2.307 30.061 695 HZ3 LYS 98 HZ3 LYS 98 -15.861 -3.462 31.120 696 H ARG 99 H ARG 99 -9.743 -1.513 30.191 697 HA ARG 99 HA ARG 99 -8.141 -0.144 31.076 698 HB2 ARG 99 HB2 ARG 99 -6.997 -2.475 32.603 699 HB3 ARG 99 HB3 ARG 99 -6.939 -0.752 33.007 700 HG2 ARG 99 HG2 ARG 99 -9.640 -1.255 32.961 701 HG3 ARG 99 HG3 ARG 99 -8.963 -2.748 33.632 702 HD2 ARG 99 HD2 ARG 99 -8.164 -0.025 34.653 703 HD3 ARG 99 HD3 ARG 99 -9.567 -0.901 35.281 704 HE ARG 99 HE ARG 99 -7.129 -2.434 35.295 705 HH11 ARG 99 HH11 ARG 99 -9.126 -0.182 37.046 706 HH12 ARG 99 HH12 ARG 99 -8.488 -0.620 38.596 707 HH21 ARG 99 HH21 ARG 99 -6.281 -3.018 37.330 708 HH22 ARG 99 HH22 ARG 99 -6.869 -2.233 38.756 709 H GLY 100 H GLY 100 -6.779 -3.411 30.597 710 HA2 GLY 100 HA2 GLY 100 -5.375 -2.909 28.280 711 HA3 GLY 100 HA3 GLY 100 -4.303 -2.414 29.581 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -5.246 -9.456 -43.944 2 HA2 GLY 1 HA2 GLY 1 -7.229 -8.221 -42.198 3 HA3 GLY 1 HA3 GLY 1 -5.790 -9.091 -41.689 4 H SER 2 H SER 2 -7.185 -6.045 -42.263 5 HA SER 2 HA SER 2 -4.604 -4.753 -41.679 6 HB2 SER 2 HB2 SER 2 -5.133 -2.909 -43.127 7 HB3 SER 2 HB3 SER 2 -5.363 -4.401 -44.057 8 HG SER 2 HG SER 2 -7.121 -3.004 -44.360 9 H ARG 3 H ARG 3 -4.668 -3.859 -39.737 10 HA ARG 3 HA ARG 3 -7.066 -2.390 -38.919 11 HB2 ARG 3 HB2 ARG 3 -6.935 -3.341 -36.647 12 HB3 ARG 3 HB3 ARG 3 -7.299 -4.566 -37.872 13 HG2 ARG 3 HG2 ARG 3 -4.567 -4.686 -37.758 14 HG3 ARG 3 HG3 ARG 3 -5.008 -4.336 -36.079 15 HD2 ARG 3 HD2 ARG 3 -6.740 -6.227 -36.338 16 HD3 ARG 3 HD3 ARG 3 -5.820 -6.669 -37.782 17 HE ARG 3 HE ARG 3 -5.033 -7.059 -35.047 18 HH11 ARG 3 HH11 ARG 3 -3.914 -6.698 -38.324 19 HH12 ARG 3 HH12 ARG 3 -2.422 -7.532 -38.045 20 HH21 ARG 3 HH21 ARG 3 -3.071 -8.159 -34.667 21 HH22 ARG 3 HH22 ARG 3 -1.944 -8.364 -35.965 22 H ARG 4 H ARG 4 -6.644 -0.970 -37.026 23 HA ARG 4 HA ARG 4 -3.893 -0.344 -36.420 24 HB2 ARG 4 HB2 ARG 4 -4.934 0.875 -38.646 25 HB3 ARG 4 HB3 ARG 4 -5.280 2.059 -37.377 26 HG2 ARG 4 HG2 ARG 4 -2.752 1.619 -36.743 27 HG3 ARG 4 HG3 ARG 4 -2.669 1.144 -38.448 28 HD2 ARG 4 HD2 ARG 4 -3.536 3.297 -39.146 29 HD3 ARG 4 HD3 ARG 4 -3.771 3.769 -37.457 30 HE ARG 4 HE ARG 4 -1.087 3.132 -37.742 31 HH11 ARG 4 HH11 ARG 4 -3.341 5.464 -39.007 32 HH12 ARG 4 HH12 ARG 4 -2.139 6.688 -39.252 33 HH21 ARG 4 HH21 ARG 4 0.505 4.734 -38.058 34 HH22 ARG 4 HH22 ARG 4 0.047 6.271 -38.711 35 H ALA 5 H ALA 5 -3.789 1.615 -34.933 36 HA ALA 5 HA ALA 5 -5.650 1.223 -32.809 37 HB1 ALA 5 HB1 ALA 5 -3.590 3.405 -33.076 38 HB2 ALA 5 HB2 ALA 5 -4.354 2.833 -31.591 39 HB3 ALA 5 HB3 ALA 5 -3.251 1.780 -32.479 40 H SER 6 H SER 6 -6.603 3.241 -31.695 41 HA SER 6 HA SER 6 -7.454 5.378 -33.413 42 HB2 SER 6 HB2 SER 6 -8.936 3.327 -33.964 43 HB3 SER 6 HB3 SER 6 -9.671 3.622 -32.378 44 HG SER 6 HG SER 6 -9.567 5.405 -34.580 45 H VAL 7 H VAL 7 -6.171 4.891 -30.790 46 HA VAL 7 HA VAL 7 -8.016 5.695 -28.757 47 HB VAL 7 HB VAL 7 -6.044 5.967 -27.328 48 HG11 VAL 7 HG11 VAL 7 -6.834 3.578 -28.675 49 HG12 VAL 7 HG12 VAL 7 -5.100 3.514 -28.353 50 HG13 VAL 7 HG13 VAL 7 -6.235 3.777 -27.028 51 HG21 VAL 7 HG21 VAL 7 -4.462 6.932 -28.826 52 HG22 VAL 7 HG22 VAL 7 -3.800 5.388 -28.289 53 HG23 VAL 7 HG23 VAL 7 -4.524 5.529 -29.892 54 H GLY 8 H GLY 8 -7.951 7.697 -27.573 55 HA2 GLY 8 HA2 GLY 8 -7.299 9.969 -29.329 56 HA3 GLY 8 HA3 GLY 8 -8.510 9.986 -28.058 57 H SER 9 H SER 9 -7.542 9.505 -25.803 58 HA SER 9 HA SER 9 -4.830 10.294 -25.356 59 HB2 SER 9 HB2 SER 9 -5.012 12.484 -24.817 60 HB3 SER 9 HB3 SER 9 -6.495 12.420 -25.783 61 HG SER 9 HG SER 9 -7.619 12.703 -24.036 62 H GLU 10 H GLU 10 -4.513 10.742 -22.903 63 HA GLU 10 HA GLU 10 -6.327 8.997 -21.372 64 HB2 GLU 10 HB2 GLU 10 -3.950 8.107 -22.054 65 HB3 GLU 10 HB3 GLU 10 -3.410 9.135 -20.717 66 HG2 GLU 10 HG2 GLU 10 -4.005 7.618 -19.220 67 HG3 GLU 10 HG3 GLU 10 -5.648 7.563 -19.876 68 H PHE 11 H PHE 11 -6.753 9.575 -19.260 69 HA PHE 11 HA PHE 11 -5.387 11.784 -18.012 70 HB2 PHE 11 HB2 PHE 11 -7.195 13.321 -17.897 71 HB3 PHE 11 HB3 PHE 11 -7.058 12.845 -19.591 72 HD1 PHE 11 HD1 PHE 11 -8.564 10.859 -20.353 73 HD2 PHE 11 HD2 PHE 11 -9.276 13.225 -16.887 74 HE1 PHE 11 HE1 PHE 11 -10.931 10.183 -20.382 75 HE2 PHE 11 HE2 PHE 11 -11.643 12.552 -16.910 76 HZ PHE 11 HZ PHE 11 -12.473 11.029 -18.658 77 H MET 12 H MET 12 -5.820 11.962 -15.802 78 HA MET 12 HA MET 12 -7.879 10.367 -14.572 79 HB2 MET 12 HB2 MET 12 -6.514 8.845 -13.376 80 HB3 MET 12 HB3 MET 12 -5.988 8.756 -15.063 81 HG2 MET 12 HG2 MET 12 -4.299 10.655 -14.152 82 HG3 MET 12 HG3 MET 12 -4.549 9.710 -12.681 83 HE1 MET 12 HE1 MET 12 -3.120 10.256 -15.863 84 HE2 MET 12 HE2 MET 12 -1.579 9.664 -15.239 85 HE3 MET 12 HE3 MET 12 -2.431 8.759 -16.491 86 H VAL 13 H VAL 13 -7.474 10.399 -12.060 87 HA VAL 13 HA VAL 13 -7.434 13.124 -11.292 88 HB VAL 13 HB VAL 13 -7.500 12.223 -8.950 89 HG11 VAL 13 HG11 VAL 13 -9.506 10.927 -10.787 90 HG12 VAL 13 HG12 VAL 13 -9.745 11.429 -9.112 91 HG13 VAL 13 HG13 VAL 13 -9.517 12.640 -10.373 92 HG21 VAL 13 HG21 VAL 13 -6.990 10.108 -8.477 93 HG22 VAL 13 HG22 VAL 13 -8.073 9.499 -9.729 94 HG23 VAL 13 HG23 VAL 13 -6.418 9.951 -10.138 95 H VAL 14 H VAL 14 -6.082 13.557 -9.102 96 HA VAL 14 HA VAL 14 -3.288 13.373 -9.949 97 HB VAL 14 HB VAL 14 -2.889 15.076 -8.160 98 HG11 VAL 14 HG11 VAL 14 -5.004 16.292 -9.813 99 HG12 VAL 14 HG12 VAL 14 -3.309 16.746 -9.617 100 HG13 VAL 14 HG13 VAL 14 -3.750 15.418 -10.693 101 HG21 VAL 14 HG21 VAL 14 -4.438 15.485 -6.623 102 HG22 VAL 14 HG22 VAL 14 -5.556 16.024 -7.877 103 HG23 VAL 14 HG23 VAL 14 -5.517 14.327 -7.402 104 H ASP 15 H ASP 15 -4.161 10.968 -9.063 105 HA ASP 15 HA ASP 15 -3.790 10.556 -6.272 106 HB2 ASP 15 HB2 ASP 15 -3.738 8.159 -6.839 107 HB3 ASP 15 HB3 ASP 15 -5.091 8.990 -7.619 108 H VAL 16 H VAL 16 -1.950 10.614 -5.181 109 HA VAL 16 HA VAL 16 0.490 9.563 -6.388 110 HB VAL 16 HB VAL 16 0.446 12.293 -5.100 111 HG11 VAL 16 HG11 VAL 16 2.518 10.556 -5.265 112 HG12 VAL 16 HG12 VAL 16 2.705 11.447 -6.777 113 HG13 VAL 16 HG13 VAL 16 2.692 12.311 -5.240 114 HG21 VAL 16 HG21 VAL 16 0.461 11.479 -7.994 115 HG22 VAL 16 HG22 VAL 16 -0.649 12.575 -7.171 116 HG23 VAL 16 HG23 VAL 16 1.023 13.059 -7.449 117 H THR 17 H THR 17 -0.397 7.973 -4.711 118 HA THR 17 HA THR 17 0.379 8.714 -1.981 119 HB THR 17 HB THR 17 -0.613 6.158 -1.801 120 HG1 THR 17 HG1 THR 17 -2.495 6.161 -3.106 121 HG21 THR 17 HG21 THR 17 -1.507 8.865 -1.205 122 HG22 THR 17 HG22 THR 17 -1.630 7.396 -0.236 123 HG23 THR 17 HG23 THR 17 -2.846 7.748 -1.465 124 H ILE 18 H ILE 18 1.358 6.802 -0.711 125 HA ILE 18 HA ILE 18 3.826 6.114 -2.000 126 HB ILE 18 HB ILE 18 2.882 5.049 0.652 127 HG12 ILE 18 HG12 ILE 18 2.532 7.449 0.695 128 HG13 ILE 18 HG13 ILE 18 3.945 7.036 1.680 129 HG21 ILE 18 HG21 ILE 18 5.573 5.526 -0.602 130 HG22 ILE 18 HG22 ILE 18 5.360 5.214 1.120 131 HG23 ILE 18 HG23 ILE 18 4.876 3.999 -0.063 132 HD11 ILE 18 HD11 ILE 18 3.777 8.595 -0.812 133 HD12 ILE 18 HD12 ILE 18 4.859 8.766 0.570 134 HD13 ILE 18 HD13 ILE 18 5.171 7.528 -0.646 135 H GLU 19 H GLU 19 4.674 3.960 -2.216 136 HA GLU 19 HA GLU 19 3.099 1.637 -1.920 137 HB2 GLU 19 HB2 GLU 19 2.903 1.154 -4.420 138 HB3 GLU 19 HB3 GLU 19 1.763 2.321 -3.733 139 HG2 GLU 19 HG2 GLU 19 2.946 4.165 -4.652 140 HG3 GLU 19 HG3 GLU 19 4.303 3.131 -5.117 141 H ASP 20 H ASP 20 4.461 -0.022 -1.773 142 HA ASP 20 HA ASP 20 6.785 -0.232 -3.473 143 HB2 ASP 20 HB2 ASP 20 7.143 1.151 -1.127 144 HB3 ASP 20 HB3 ASP 20 7.573 -0.498 -0.654 145 H SER 21 H SER 21 7.579 -2.312 -3.614 146 HA SER 21 HA SER 21 6.260 -4.342 -1.939 147 HB2 SER 21 HB2 SER 21 6.579 -5.700 -4.270 148 HB3 SER 21 HB3 SER 21 5.087 -4.855 -3.816 149 HG SER 21 HG SER 21 5.413 -3.795 -5.602 150 H TYR 22 H TYR 22 7.471 -6.156 -1.434 151 HA TYR 22 HA TYR 22 10.309 -5.789 -1.451 152 HB2 TYR 22 HB2 TYR 22 8.386 -7.724 -0.275 153 HB3 TYR 22 HB3 TYR 22 10.031 -8.308 -0.534 154 HD1 TYR 22 HD2 TYR 22 8.089 -5.621 1.135 155 HD2 TYR 22 HD1 TYR 22 11.778 -7.731 0.931 156 HE1 TYR 22 HE2 TYR 22 8.824 -4.525 3.210 157 HE2 TYR 22 HE1 TYR 22 12.523 -6.642 3.007 158 HH TYR 22 HH TYR 22 10.385 -4.462 4.806 159 H SER 23 H SER 23 8.032 -7.491 -3.417 160 HA SER 23 HA SER 23 8.258 -8.671 -5.350 161 HB2 SER 23 HB2 SER 23 10.151 -6.793 -5.578 162 HB3 SER 23 HB3 SER 23 11.198 -8.220 -5.506 163 HG SER 23 HG SER 23 10.743 -8.089 -7.610 164 H THR 24 H THR 24 9.195 -9.644 -2.534 165 HA THR 24 HA THR 24 10.462 -12.127 -3.497 166 HB THR 24 HB THR 24 11.350 -12.391 -1.170 167 HG1 THR 24 HG1 THR 24 10.631 -11.037 0.277 168 HG21 THR 24 HG21 THR 24 12.164 -10.184 -3.002 169 HG22 THR 24 HG22 THR 24 13.015 -11.670 -2.582 170 HG23 THR 24 HG23 THR 24 12.968 -10.327 -1.440 171 H GLU 25 H GLU 25 7.932 -10.691 -1.581 172 HA GLU 25 HA GLU 25 6.732 -13.356 -1.262 173 HB2 GLU 25 HB2 GLU 25 7.641 -11.624 0.828 174 HB3 GLU 25 HB3 GLU 25 5.875 -11.732 0.902 175 HG2 GLU 25 HG2 GLU 25 6.434 -14.329 0.596 176 HG3 GLU 25 HG3 GLU 25 7.923 -13.801 1.395 177 H SER 26 H SER 26 4.347 -12.780 -0.212 178 HA SER 26 HA SER 26 2.819 -11.890 -2.338 179 HB2 SER 26 HB2 SER 26 0.951 -11.679 -0.683 180 HB3 SER 26 HB3 SER 26 1.831 -13.212 -0.570 181 HG SER 26 HG SER 26 1.623 -11.171 1.256 182 H ALA 27 H ALA 27 2.223 -9.963 -3.107 183 HA ALA 27 HA ALA 27 2.810 -7.579 -1.474 184 HB1 ALA 27 HB1 ALA 27 3.880 -8.291 -3.980 185 HB2 ALA 27 HB2 ALA 27 2.773 -6.947 -4.262 186 HB3 ALA 27 HB3 ALA 27 4.088 -6.776 -3.099 187 H TRP 28 H TRP 28 1.423 -5.762 -1.752 188 HA TRP 28 HA TRP 28 -1.304 -6.543 -2.458 189 HB2 TRP 28 HB2 TRP 28 -0.083 -4.454 -0.704 190 HB3 TRP 28 HB3 TRP 28 -1.669 -4.125 -1.402 191 HD1 TRP 28 HD1 TRP 28 -0.089 -5.881 1.458 192 HE1 TRP 28 HE1 TRP 28 -1.843 -7.251 2.747 193 HE3 TRP 28 HE3 TRP 28 -3.922 -5.671 -1.919 194 HZ2 TRP 28 HZ2 TRP 28 -4.501 -8.129 2.381 195 HZ3 TRP 28 HZ3 TRP 28 -6.036 -6.804 -1.373 196 HH2 TRP 28 HH2 TRP 28 -6.319 -8.007 0.732 197 H VAL 29 H VAL 29 -2.409 -5.705 -4.132 198 HA VAL 29 HA VAL 29 -1.222 -3.441 -5.592 199 HB VAL 29 HB VAL 29 -0.697 -5.546 -6.775 200 HG11 VAL 29 HG11 VAL 29 -3.367 -6.188 -6.099 201 HG12 VAL 29 HG12 VAL 29 -3.265 -6.137 -7.860 202 HG13 VAL 29 HG13 VAL 29 -2.183 -7.185 -6.943 203 HG21 VAL 29 HG21 VAL 29 -1.626 -3.203 -7.824 204 HG22 VAL 29 HG22 VAL 29 -0.902 -4.513 -8.756 205 HG23 VAL 29 HG23 VAL 29 -2.656 -4.394 -8.620 206 H ARG 30 H ARG 30 -2.664 -2.050 -6.608 207 HA ARG 30 HA ARG 30 -5.461 -2.351 -5.750 208 HB2 ARG 30 HB2 ARG 30 -4.203 -0.360 -4.927 209 HB3 ARG 30 HB3 ARG 30 -4.027 0.168 -6.608 210 HG2 ARG 30 HG2 ARG 30 -6.740 -0.249 -6.388 211 HG3 ARG 30 HG3 ARG 30 -6.296 0.414 -4.806 212 HD2 ARG 30 HD2 ARG 30 -6.860 2.254 -6.233 213 HD3 ARG 30 HD3 ARG 30 -5.108 2.262 -5.987 214 HE ARG 30 HE ARG 30 -5.893 0.843 -8.350 215 HH11 ARG 30 HH11 ARG 30 -5.209 3.986 -7.019 216 HH12 ARG 30 HH12 ARG 30 -4.785 4.685 -8.547 217 HH21 ARG 30 HH21 ARG 30 -5.338 1.751 -10.367 218 HH22 ARG 30 HH22 ARG 30 -4.859 3.413 -10.450 219 H CYS 31 H CYS 31 -7.132 -2.163 -7.194 220 HA CYS 31 HA CYS 31 -6.516 -2.735 -9.938 221 HB2 CYS 31 HB2 CYS 31 -8.419 -3.779 -8.745 222 HB3 CYS 31 HB3 CYS 31 -9.195 -2.198 -8.640 223 H ASP 32 H ASP 32 -6.800 -1.460 -11.722 224 HA ASP 32 HA ASP 32 -7.066 1.409 -11.200 225 HB2 ASP 32 HB2 ASP 32 -5.176 0.125 -12.614 226 HB3 ASP 32 HB3 ASP 32 -6.347 0.418 -13.906 227 H ASP 33 H ASP 33 -9.387 -0.315 -11.205 228 HA ASP 33 HA ASP 33 -10.903 1.045 -13.306 229 HB2 ASP 33 HB2 ASP 33 -10.312 -1.272 -14.083 230 HB3 ASP 33 HB3 ASP 33 -11.248 -1.899 -12.718 231 H CYS 34 H CYS 34 -11.042 -0.988 -10.402 232 HA CYS 34 HA CYS 34 -13.532 0.393 -9.646 233 HB2 CYS 34 HB2 CYS 34 -14.069 -1.536 -8.261 234 HB3 CYS 34 HB3 CYS 34 -13.783 -2.041 -9.927 235 H PHE 35 H PHE 35 -10.261 0.136 -8.970 236 HA PHE 35 HA PHE 35 -8.923 0.917 -7.304 237 HB2 PHE 35 HB2 PHE 35 -11.429 2.430 -6.517 238 HB3 PHE 35 HB3 PHE 35 -9.805 2.766 -5.916 239 HD1 PHE 35 HD1 PHE 35 -8.019 2.914 -8.001 240 HD2 PHE 35 HD2 PHE 35 -12.150 3.934 -8.095 241 HE1 PHE 35 HE1 PHE 35 -7.599 4.423 -9.898 242 HE2 PHE 35 HE2 PHE 35 -11.737 5.443 -9.994 243 HZ PHE 35 HZ PHE 35 -9.460 5.690 -10.898 244 H LYS 36 H LYS 36 -9.201 -1.426 -6.615 245 HA LYS 36 HA LYS 36 -10.058 -1.445 -3.810 246 HB2 LYS 36 HB2 LYS 36 -11.578 -2.641 -5.720 247 HB3 LYS 36 HB3 LYS 36 -10.495 -3.969 -5.274 248 HG2 LYS 36 HG2 LYS 36 -12.243 -4.311 -3.826 249 HG3 LYS 36 HG3 LYS 36 -11.150 -3.325 -2.838 250 HD2 LYS 36 HD2 LYS 36 -12.418 -1.333 -3.282 251 HD3 LYS 36 HD3 LYS 36 -13.422 -2.192 -4.464 252 HE2 LYS 36 HE2 LYS 36 -13.963 -3.767 -2.433 253 HE3 LYS 36 HE3 LYS 36 -13.438 -2.368 -1.484 254 HZ1 LYS 36 HZ1 LYS 36 -15.469 -1.561 -1.747 255 HZ2 LYS 36 HZ2 LYS 36 -15.893 -2.780 -2.840 256 HZ3 LYS 36 HZ3 LYS 36 -15.150 -1.366 -3.397 257 H TRP 37 H TRP 37 -8.849 -2.752 -2.449 258 HA TRP 37 HA TRP 37 -6.177 -3.279 -3.290 259 HB2 TRP 37 HB2 TRP 37 -7.723 -3.465 -0.762 260 HB3 TRP 37 HB3 TRP 37 -6.311 -4.514 -0.891 261 HD1 TRP 37 HD1 TRP 37 -6.977 -1.462 0.670 262 HE1 TRP 37 HE1 TRP 37 -4.972 0.151 0.691 263 HE3 TRP 37 HE3 TRP 37 -4.153 -3.627 -3.001 264 HZ2 TRP 37 HZ2 TRP 37 -2.518 0.466 -0.668 265 HZ3 TRP 37 HZ3 TRP 37 -1.990 -2.608 -3.581 266 HH2 TRP 37 HH2 TRP 37 -1.191 -0.603 -2.437 267 H ARG 38 H ARG 38 -5.131 -5.218 -3.617 268 HA ARG 38 HA ARG 38 -6.657 -7.696 -3.441 269 HB2 ARG 38 HB2 ARG 38 -6.169 -6.298 -5.910 270 HB3 ARG 38 HB3 ARG 38 -5.309 -7.844 -5.918 271 HG2 ARG 38 HG2 ARG 38 -8.259 -7.474 -5.387 272 HG3 ARG 38 HG3 ARG 38 -7.530 -8.055 -6.894 273 HD2 ARG 38 HD2 ARG 38 -6.482 -9.923 -5.533 274 HD3 ARG 38 HD3 ARG 38 -7.524 -9.401 -4.202 275 HE ARG 38 HE ARG 38 -8.307 -10.901 -6.506 276 HH11 ARG 38 HH11 ARG 38 -9.406 -8.626 -4.111 277 HH12 ARG 38 HH12 ARG 38 -11.069 -9.096 -4.240 278 HH21 ARG 38 HH21 ARG 38 -10.492 -11.528 -6.685 279 HH22 ARG 38 HH22 ARG 38 -11.685 -10.747 -5.704 280 H ARG 39 H ARG 39 -5.428 -9.218 -2.562 281 HA ARG 39 HA ARG 39 -2.572 -8.791 -2.310 282 HB2 ARG 39 HB2 ARG 39 -4.093 -9.584 -0.435 283 HB3 ARG 39 HB3 ARG 39 -4.156 -11.140 -1.277 284 HG2 ARG 39 HG2 ARG 39 -2.317 -11.753 -0.207 285 HG3 ARG 39 HG3 ARG 39 -1.439 -10.492 -1.090 286 HD2 ARG 39 HD2 ARG 39 -1.606 -8.954 0.646 287 HD3 ARG 39 HD3 ARG 39 -2.998 -9.782 1.360 288 HE ARG 39 HE ARG 39 -0.212 -10.377 1.801 289 HH11 ARG 39 HH11 ARG 39 -3.480 -11.564 1.971 290 HH12 ARG 39 HH12 ARG 39 -3.121 -12.762 3.170 291 HH21 ARG 39 HH21 ARG 39 0.274 -11.951 3.379 292 HH22 ARG 39 HH22 ARG 39 -0.986 -12.981 3.970 293 H ILE 40 H ILE 40 -1.059 -9.722 -3.524 294 HA ILE 40 HA ILE 40 -1.753 -12.140 -5.047 295 HB ILE 40 HB ILE 40 -0.727 -11.350 -7.028 296 HG12 ILE 40 HG12 ILE 40 0.173 -8.988 -5.365 297 HG13 ILE 40 HG13 ILE 40 1.198 -10.219 -6.117 298 HG21 ILE 40 HG21 ILE 40 -3.014 -10.534 -6.611 299 HG22 ILE 40 HG22 ILE 40 -2.341 -9.058 -5.920 300 HG23 ILE 40 HG23 ILE 40 -2.079 -9.434 -7.623 301 HD11 ILE 40 HD11 ILE 40 0.047 -9.332 -8.322 302 HD12 ILE 40 HD12 ILE 40 -0.135 -7.878 -7.340 303 HD13 ILE 40 HD13 ILE 40 1.468 -8.552 -7.628 304 HA PRO 41 HA PRO 41 2.041 -13.803 -3.588 305 HB2 PRO 41 HB2 PRO 41 2.692 -15.486 -5.648 306 HB3 PRO 41 HB3 PRO 41 1.378 -15.797 -4.516 307 HG2 PRO 41 HG2 PRO 41 1.279 -14.592 -7.262 308 HG3 PRO 41 HG3 PRO 41 0.219 -15.856 -6.531 309 HD2 PRO 41 HD2 PRO 41 -0.536 -13.258 -6.749 310 HD3 PRO 41 HD3 PRO 41 -1.035 -14.289 -5.398 311 H ALA 42 H ALA 42 4.315 -13.791 -3.891 312 HA ALA 42 HA ALA 42 5.310 -11.520 -5.263 313 HB1 ALA 42 HB1 ALA 42 6.974 -11.807 -3.827 314 HB2 ALA 42 HB2 ALA 42 6.258 -13.336 -3.314 315 HB3 ALA 42 HB3 ALA 42 7.433 -13.309 -4.628 316 H SER 43 H SER 43 4.575 -14.634 -6.327 317 HA SER 43 HA SER 43 6.618 -14.880 -8.327 318 HB2 SER 43 HB2 SER 43 4.534 -16.525 -7.246 319 HB3 SER 43 HB3 SER 43 4.366 -16.476 -9.010 320 HG SER 43 HG SER 43 6.732 -16.923 -8.994 321 H VAL 44 H VAL 44 3.298 -13.718 -8.217 322 HA VAL 44 HA VAL 44 3.300 -13.190 -11.085 323 HB VAL 44 HB VAL 44 1.273 -14.109 -9.907 324 HG11 VAL 44 HG11 VAL 44 -0.137 -12.560 -8.662 325 HG12 VAL 44 HG12 VAL 44 1.434 -12.743 -7.879 326 HG13 VAL 44 HG13 VAL 44 1.083 -11.298 -8.828 327 HG21 VAL 44 HG21 VAL 44 1.451 -11.980 -11.848 328 HG22 VAL 44 HG22 VAL 44 0.378 -13.379 -11.812 329 HG23 VAL 44 HG23 VAL 44 -0.069 -11.903 -10.956 330 H VAL 45 H VAL 45 3.566 -11.513 -8.037 331 HA VAL 45 HA VAL 45 3.015 -8.900 -8.841 332 HB VAL 45 HB VAL 45 3.580 -9.905 -6.476 333 HG11 VAL 45 HG11 VAL 45 6.230 -8.657 -7.164 334 HG12 VAL 45 HG12 VAL 45 5.779 -9.515 -5.689 335 HG13 VAL 45 HG13 VAL 45 5.948 -10.397 -7.206 336 HG21 VAL 45 HG21 VAL 45 4.583 -7.321 -6.170 337 HG22 VAL 45 HG22 VAL 45 3.536 -7.241 -7.586 338 HG23 VAL 45 HG23 VAL 45 2.898 -7.829 -6.051 339 H GLY 46 H GLY 46 5.761 -10.917 -9.464 340 HA2 GLY 46 HA2 GLY 46 7.311 -8.622 -10.447 341 HA3 GLY 46 HA3 GLY 46 7.947 -10.231 -10.143 342 H SER 47 H SER 47 4.937 -9.988 -11.802 343 HA SER 47 HA SER 47 6.275 -10.335 -14.395 344 HB2 SER 47 HB2 SER 47 5.592 -12.552 -13.327 345 HB3 SER 47 HB3 SER 47 3.916 -12.022 -13.554 346 HG SER 47 HG SER 47 5.571 -13.113 -15.347 347 H ILE 48 H ILE 48 3.300 -9.620 -12.638 348 HA ILE 48 HA ILE 48 1.774 -8.787 -14.864 349 HB ILE 48 HB ILE 48 0.320 -7.659 -13.226 350 HG12 ILE 48 HG12 ILE 48 1.141 -8.329 -10.745 351 HG13 ILE 48 HG13 ILE 48 2.711 -8.045 -11.515 352 HG21 ILE 48 HG21 ILE 48 -0.510 -9.726 -13.162 353 HG22 ILE 48 HG22 ILE 48 1.096 -10.453 -13.170 354 HG23 ILE 48 HG23 ILE 48 0.374 -9.927 -11.650 355 HD11 ILE 48 HD11 ILE 48 1.511 -5.838 -12.333 356 HD12 ILE 48 HD12 ILE 48 0.546 -6.128 -10.885 357 HD13 ILE 48 HD13 ILE 48 2.295 -5.951 -10.758 358 H ASP 49 H ASP 49 4.342 -7.303 -13.155 359 HA ASP 49 HA ASP 49 3.682 -4.583 -13.657 360 HB2 ASP 49 HB2 ASP 49 6.097 -4.160 -13.146 361 HB3 ASP 49 HB3 ASP 49 5.247 -5.090 -11.905 362 H GLU 50 H GLU 50 3.060 -4.600 -15.875 363 HA GLU 50 HA GLU 50 5.190 -5.080 -17.823 364 HB2 GLU 50 HB2 GLU 50 3.443 -4.910 -19.522 365 HB3 GLU 50 HB3 GLU 50 3.002 -6.089 -18.276 366 HG2 GLU 50 HG2 GLU 50 1.831 -3.900 -17.247 367 HG3 GLU 50 HG3 GLU 50 1.754 -3.512 -18.972 368 H SER 51 H SER 51 3.083 -2.529 -16.613 369 HA SER 51 HA SER 51 4.856 -0.560 -17.874 370 HB2 SER 51 HB2 SER 51 2.949 -0.611 -19.333 371 HB3 SER 51 HB3 SER 51 1.833 -0.558 -17.958 372 HG SER 51 HG SER 51 2.730 1.486 -19.284 373 H SER 52 H SER 52 1.874 -0.306 -15.956 374 HA SER 52 HA SER 52 3.059 0.228 -13.484 375 HB2 SER 52 HB2 SER 52 3.574 2.315 -15.195 376 HB3 SER 52 HB3 SER 52 2.099 2.859 -14.378 377 HG SER 52 HG SER 52 3.726 3.511 -13.073 378 H ARG 53 H ARG 53 0.778 -1.091 -14.619 379 HA ARG 53 HA ARG 53 -1.270 0.034 -12.882 380 HB2 ARG 53 HB2 ARG 53 -2.973 0.165 -14.504 381 HB3 ARG 53 HB3 ARG 53 -1.571 0.956 -15.237 382 HG2 ARG 53 HG2 ARG 53 -1.316 -1.697 -16.011 383 HG3 ARG 53 HG3 ARG 53 -3.054 -1.362 -16.121 384 HD2 ARG 53 HD2 ARG 53 -0.995 0.509 -17.286 385 HD3 ARG 53 HD3 ARG 53 -1.624 -0.879 -18.185 386 HE ARG 53 HE ARG 53 -3.854 0.447 -17.322 387 HH11 ARG 53 HH11 ARG 53 -1.042 1.286 -19.195 388 HH12 ARG 53 HH12 ARG 53 -1.866 2.482 -20.138 389 HH21 ARG 53 HH21 ARG 53 -4.951 2.019 -18.559 390 HH22 ARG 53 HH22 ARG 53 -4.090 2.899 -19.776 391 H TRP 54 H TRP 54 -3.197 -1.487 -12.763 392 HA TRP 54 HA TRP 54 -2.858 -4.206 -13.540 393 HB2 TRP 54 HB2 TRP 54 -1.185 -4.113 -11.727 394 HB3 TRP 54 HB3 TRP 54 -2.436 -3.555 -10.615 395 HD1 TRP 54 HD1 TRP 54 -0.998 -6.699 -12.074 396 HE1 TRP 54 HE1 TRP 54 -2.249 -8.742 -11.135 397 HE3 TRP 54 HE3 TRP 54 -4.905 -4.293 -9.822 398 HZ2 TRP 54 HZ2 TRP 54 -4.586 -9.265 -9.639 399 HZ3 TRP 54 HZ3 TRP 54 -6.605 -5.637 -8.658 400 HH2 TRP 54 HH2 TRP 54 -6.448 -8.072 -8.570 401 H ILE 55 H ILE 55 -4.728 -5.379 -13.299 402 HA ILE 55 HA ILE 55 -6.937 -4.083 -11.848 403 HB ILE 55 HB ILE 55 -8.432 -5.036 -13.711 404 HG12 ILE 55 HG12 ILE 55 -5.745 -4.980 -15.107 405 HG13 ILE 55 HG13 ILE 55 -6.768 -6.401 -14.839 406 HG21 ILE 55 HG21 ILE 55 -7.751 -2.601 -13.226 407 HG22 ILE 55 HG22 ILE 55 -6.698 -2.773 -14.630 408 HG23 ILE 55 HG23 ILE 55 -8.441 -2.981 -14.805 409 HD11 ILE 55 HD11 ILE 55 -7.495 -6.031 -16.912 410 HD12 ILE 55 HD12 ILE 55 -8.466 -4.751 -16.183 411 HD13 ILE 55 HD13 ILE 55 -6.912 -4.368 -16.924 412 H CYS 56 H CYS 56 -8.850 -5.660 -11.652 413 HA CYS 56 HA CYS 56 -8.013 -7.896 -10.174 414 HB2 CYS 56 HB2 CYS 56 -10.735 -7.413 -11.411 415 HB3 CYS 56 HB3 CYS 56 -10.376 -8.496 -10.065 416 H MET 57 H MET 57 -9.538 -7.723 -13.390 417 HA MET 57 HA MET 57 -9.503 -10.460 -13.941 418 HB2 MET 57 HB2 MET 57 -9.635 -9.784 -16.335 419 HB3 MET 57 HB3 MET 57 -10.811 -8.963 -15.297 420 HG2 MET 57 HG2 MET 57 -8.597 -7.278 -15.280 421 HG3 MET 57 HG3 MET 57 -8.714 -7.856 -16.945 422 HE1 MET 57 HE1 MET 57 -10.142 -6.002 -14.074 423 HE2 MET 57 HE2 MET 57 -11.526 -5.100 -14.691 424 HE3 MET 57 HE3 MET 57 -11.706 -6.798 -14.247 425 H ASN 58 H ASN 58 -6.947 -8.174 -13.853 426 HA ASN 58 HA ASN 58 -5.167 -9.669 -15.561 427 HB2 ASN 58 HB2 ASN 58 -5.082 -7.117 -14.060 428 HB3 ASN 58 HB3 ASN 58 -3.532 -7.948 -14.247 429 HD21 ASN 58 HD21 ASN 58 -6.289 -7.813 -16.452 430 HD22 ASN 58 HD22 ASN 58 -5.432 -7.077 -17.759 431 H ASN 59 H ASN 59 -6.234 -9.981 -12.406 432 HA ASN 59 HA ASN 59 -3.981 -10.688 -10.948 433 HB2 ASN 59 HB2 ASN 59 -6.407 -10.443 -10.157 434 HB3 ASN 59 HB3 ASN 59 -6.623 -12.116 -10.684 435 HD21 ASN 59 HD21 ASN 59 -7.163 -12.279 -8.338 436 HD22 ASN 59 HD22 ASN 59 -5.868 -12.640 -7.253 437 H SER 60 H SER 60 -3.268 -12.853 -10.285 438 HA SER 60 HA SER 60 -2.848 -14.518 -12.608 439 HB2 SER 60 HB2 SER 60 -1.304 -13.893 -10.423 440 HB3 SER 60 HB3 SER 60 -1.872 -15.524 -10.022 441 HG SER 60 HG SER 60 -0.877 -15.015 -12.596 442 H ASP 61 H ASP 61 -4.819 -14.538 -9.761 443 HA ASP 61 HA ASP 61 -5.400 -17.309 -9.678 444 HB2 ASP 61 HB2 ASP 61 -5.919 -15.196 -8.038 445 HB3 ASP 61 HB3 ASP 61 -7.510 -15.461 -8.763 446 H LYS 62 H LYS 62 -8.025 -17.722 -9.747 447 HA LYS 62 HA LYS 62 -8.877 -16.924 -12.452 448 HB2 LYS 62 HB2 LYS 62 -9.964 -19.208 -12.587 449 HB3 LYS 62 HB3 LYS 62 -8.195 -19.184 -12.671 450 HG2 LYS 62 HG2 LYS 62 -8.950 -19.440 -9.936 451 HG3 LYS 62 HG3 LYS 62 -9.852 -20.628 -10.893 452 HD2 LYS 62 HD2 LYS 62 -7.883 -21.620 -11.736 453 HD3 LYS 62 HD3 LYS 62 -6.887 -20.251 -11.214 454 HE2 LYS 62 HE2 LYS 62 -6.731 -20.989 -9.073 455 HE3 LYS 62 HE3 LYS 62 -8.377 -21.639 -9.080 456 HZ1 LYS 62 HZ1 LYS 62 -7.131 -23.542 -9.023 457 HZ2 LYS 62 HZ2 LYS 62 -5.883 -22.909 -9.973 458 HZ3 LYS 62 HZ3 LYS 62 -7.342 -23.374 -10.693 459 H ARG 63 H ARG 63 -9.833 -17.876 -9.202 460 HA ARG 63 HA ARG 63 -12.621 -17.236 -9.727 461 HB2 ARG 63 HB2 ARG 63 -11.105 -18.632 -7.618 462 HB3 ARG 63 HB3 ARG 63 -12.484 -17.684 -7.043 463 HG2 ARG 63 HG2 ARG 63 -13.385 -19.797 -7.396 464 HG3 ARG 63 HG3 ARG 63 -13.834 -18.896 -8.852 465 HD2 ARG 63 HD2 ARG 63 -11.506 -19.867 -9.716 466 HD3 ARG 63 HD3 ARG 63 -11.884 -21.109 -8.515 467 HE ARG 63 HE ARG 63 -14.083 -20.550 -10.265 468 HH11 ARG 63 HH11 ARG 63 -11.125 -22.349 -9.905 469 HH12 ARG 63 HH12 ARG 63 -11.589 -23.590 -11.022 470 HH21 ARG 63 HH21 ARG 63 -14.707 -22.176 -11.739 471 HH22 ARG 63 HH22 ARG 63 -13.626 -23.489 -12.065 472 H PHE 64 H PHE 64 -9.804 -15.700 -8.569 473 HA PHE 64 HA PHE 64 -11.423 -13.488 -7.482 474 HB2 PHE 64 HB2 PHE 64 -8.837 -14.692 -6.595 475 HB3 PHE 64 HB3 PHE 64 -9.055 -12.953 -6.385 476 HD1 PHE 64 HD1 PHE 64 -11.344 -15.872 -5.966 477 HD2 PHE 64 HD2 PHE 64 -9.538 -12.444 -4.204 478 HE1 PHE 64 HE1 PHE 64 -12.625 -16.263 -3.903 479 HE2 PHE 64 HE2 PHE 64 -10.815 -12.830 -2.137 480 HZ PHE 64 HZ PHE 64 -12.360 -14.741 -1.984 481 H ALA 65 H ALA 65 -10.364 -14.145 -10.259 482 HA ALA 65 HA ALA 65 -8.752 -11.719 -10.688 483 HB1 ALA 65 HB1 ALA 65 -7.765 -12.714 -12.529 484 HB2 ALA 65 HB2 ALA 65 -7.954 -14.074 -11.422 485 HB3 ALA 65 HB3 ALA 65 -9.090 -13.856 -12.753 486 H ASP 66 H ASP 66 -10.911 -10.615 -10.427 487 HA ASP 66 HA ASP 66 -11.834 -9.713 -12.912 488 HB2 ASP 66 HB2 ASP 66 -13.230 -12.050 -11.816 489 HB3 ASP 66 HB3 ASP 66 -14.303 -10.693 -12.189 490 H CYS 67 H CYS 67 -13.085 -7.881 -12.716 491 HA CYS 67 HA CYS 67 -13.027 -6.534 -10.244 492 HB2 CYS 67 HB2 CYS 67 -14.098 -6.010 -12.957 493 HB3 CYS 67 HB3 CYS 67 -14.856 -5.106 -11.644 494 H SER 68 H SER 68 -15.361 -8.635 -11.691 495 HA SER 68 HA SER 68 -17.625 -7.796 -10.190 496 HB2 SER 68 HB2 SER 68 -17.595 -10.626 -10.984 497 HB3 SER 68 HB3 SER 68 -18.737 -9.339 -11.410 498 HG SER 68 HG SER 68 -16.483 -10.217 -12.755 499 H LYS 69 H LYS 69 -14.928 -9.866 -9.535 500 HA LYS 69 HA LYS 69 -16.058 -11.366 -7.413 501 HB2 LYS 69 HB2 LYS 69 -13.148 -10.637 -7.812 502 HB3 LYS 69 HB3 LYS 69 -13.788 -11.998 -6.874 503 HG2 LYS 69 HG2 LYS 69 -14.027 -11.653 -9.866 504 HG3 LYS 69 HG3 LYS 69 -12.899 -12.730 -9.023 505 HD2 LYS 69 HD2 LYS 69 -14.823 -13.929 -8.022 506 HD3 LYS 69 HD3 LYS 69 -15.912 -12.894 -8.962 507 HE2 LYS 69 HE2 LYS 69 -15.251 -13.827 -11.005 508 HE3 LYS 69 HE3 LYS 69 -13.760 -14.481 -10.315 509 HZ1 LYS 69 HZ1 LYS 69 -16.317 -15.692 -10.503 510 HZ2 LYS 69 HZ2 LYS 69 -15.807 -15.652 -8.891 511 HZ3 LYS 69 HZ3 LYS 69 -14.837 -16.386 -10.066 512 H SER 70 H SER 70 -15.397 -11.200 -5.129 513 HA SER 70 HA SER 70 -15.750 -8.485 -4.200 514 HB2 SER 70 HB2 SER 70 -15.289 -10.192 -1.993 515 HB3 SER 70 HB3 SER 70 -16.844 -9.571 -2.575 516 HG SER 70 HG SER 70 -15.816 -12.082 -2.752 517 H GLN 71 H GLN 71 -14.422 -7.904 -2.140 518 HA GLN 71 HA GLN 71 -11.690 -7.709 -2.970 519 HB2 GLN 71 HB2 GLN 71 -12.925 -5.889 -1.795 520 HB3 GLN 71 HB3 GLN 71 -12.916 -6.889 -0.334 521 HG2 GLN 71 HG2 GLN 71 -10.588 -6.722 -0.082 522 HG3 GLN 71 HG3 GLN 71 -10.380 -6.118 -1.732 523 HE21 GLN 71 HE21 GLN 71 -9.202 -4.752 0.242 524 HE22 GLN 71 HE22 GLN 71 -10.015 -3.255 0.531 525 H GLU 72 H GLU 72 -9.847 -8.316 -1.647 526 HA GLU 72 HA GLU 72 -10.044 -11.028 -0.764 527 HB2 GLU 72 HB2 GLU 72 -7.853 -9.016 -1.050 528 HB3 GLU 72 HB3 GLU 72 -7.569 -10.434 -0.029 529 HG2 GLU 72 HG2 GLU 72 -8.669 -10.858 -2.765 530 HG3 GLU 72 HG3 GLU 72 -6.960 -10.435 -2.587 531 H MET 73 H MET 73 -9.395 -7.931 0.850 532 HA MET 73 HA MET 73 -10.418 -9.053 3.336 533 HB2 MET 73 HB2 MET 73 -7.599 -8.205 2.872 534 HB3 MET 73 HB3 MET 73 -8.343 -7.767 4.417 535 HG2 MET 73 HG2 MET 73 -8.445 -9.915 5.160 536 HG3 MET 73 HG3 MET 73 -8.635 -10.574 3.533 537 HE1 MET 73 HE1 MET 73 -4.539 -8.834 4.685 538 HE2 MET 73 HE2 MET 73 -5.856 -7.948 3.914 539 HE3 MET 73 HE3 MET 73 -6.002 -8.462 5.597 540 H SER 74 H SER 74 -10.444 -7.243 5.070 541 HA SER 74 HA SER 74 -11.806 -4.993 3.875 542 HB2 SER 74 HB2 SER 74 -11.679 -6.267 6.508 543 HB3 SER 74 HB3 SER 74 -11.678 -4.498 6.598 544 HG SER 74 HG SER 74 -13.648 -4.422 5.767 545 H ASN 75 H ASN 75 -11.376 -2.766 4.836 546 HA ASN 75 HA ASN 75 -8.808 -1.926 4.115 547 HB2 ASN 75 HB2 ASN 75 -11.255 -0.718 5.000 548 HB3 ASN 75 HB3 ASN 75 -9.905 0.003 5.886 549 HD21 ASN 75 HD21 ASN 75 -10.089 -1.240 2.578 550 HD22 ASN 75 HD22 ASN 75 -9.637 0.241 1.811 551 H GLU 76 H GLU 76 -10.233 -2.516 7.304 552 HA GLU 76 HA GLU 76 -8.072 -1.628 8.851 553 HB2 GLU 76 HB2 GLU 76 -9.014 -3.118 10.631 554 HB3 GLU 76 HB3 GLU 76 -10.186 -2.008 9.904 555 HG2 GLU 76 HG2 GLU 76 -10.539 -4.160 8.318 556 HG3 GLU 76 HG3 GLU 76 -10.069 -4.945 9.833 557 H GLU 77 H GLU 77 -8.861 -4.884 7.661 558 HA GLU 77 HA GLU 77 -6.681 -6.217 8.802 559 HB2 GLU 77 HB2 GLU 77 -8.847 -6.998 7.390 560 HB3 GLU 77 HB3 GLU 77 -7.595 -7.151 6.146 561 HG2 GLU 77 HG2 GLU 77 -7.529 -9.247 7.040 562 HG3 GLU 77 HG3 GLU 77 -6.310 -8.435 8.032 563 H ILE 78 H ILE 78 -7.024 -4.585 5.683 564 HA ILE 78 HA ILE 78 -4.479 -5.314 4.675 565 HB ILE 78 HB ILE 78 -6.195 -2.935 3.953 566 HG12 ILE 78 HG12 ILE 78 -5.935 -5.421 2.304 567 HG13 ILE 78 HG13 ILE 78 -7.025 -5.424 3.701 568 HG21 ILE 78 HG21 ILE 78 -3.875 -4.205 2.505 569 HG22 ILE 78 HG22 ILE 78 -4.923 -2.954 1.840 570 HG23 ILE 78 HG23 ILE 78 -3.910 -2.601 3.239 571 HD11 ILE 78 HD11 ILE 78 -7.554 -3.066 2.240 572 HD12 ILE 78 HD12 ILE 78 -7.498 -4.408 1.095 573 HD13 ILE 78 HD13 ILE 78 -8.593 -4.471 2.477 574 H ASN 79 H ASN 79 -5.651 -2.283 6.142 575 HA ASN 79 HA ASN 79 -3.291 -0.846 6.098 576 HB2 ASN 79 HB2 ASN 79 -4.641 0.654 7.048 577 HB3 ASN 79 HB3 ASN 79 -5.839 -0.612 7.353 578 HD21 ASN 79 HD21 ASN 79 -6.011 -1.522 9.366 579 HD22 ASN 79 HD22 ASN 79 -5.202 -0.891 10.756 580 H GLU 80 H GLU 80 -4.437 -3.134 8.554 581 HA GLU 80 HA GLU 80 -2.119 -2.805 10.210 582 HB2 GLU 80 HB2 GLU 80 -3.156 -4.179 11.710 583 HB3 GLU 80 HB3 GLU 80 -4.567 -3.661 10.773 584 HG2 GLU 80 HG2 GLU 80 -4.940 -5.907 10.839 585 HG3 GLU 80 HG3 GLU 80 -4.006 -5.783 9.341 586 H GLU 81 H GLU 81 -3.031 -4.860 7.562 587 HA GLU 81 HA GLU 81 -1.206 -6.964 7.970 588 HB2 GLU 81 HB2 GLU 81 -3.012 -7.239 6.414 589 HB3 GLU 81 HB3 GLU 81 -2.450 -5.866 5.447 590 HG2 GLU 81 HG2 GLU 81 -1.968 -8.148 4.500 591 HG3 GLU 81 HG3 GLU 81 -0.584 -7.054 4.646 592 H LEU 82 H LEU 82 -0.949 -4.085 5.882 593 HA LEU 82 HA LEU 82 1.843 -4.602 5.364 594 HB2 LEU 82 HB2 LEU 82 0.256 -2.121 4.697 595 HB3 LEU 82 HB3 LEU 82 1.775 -2.664 3.966 596 HG LEU 82 HG LEU 82 0.025 -4.755 3.475 597 HD11 LEU 82 HD11 LEU 82 -1.558 -2.655 2.316 598 HD12 LEU 82 HD12 LEU 82 -1.562 -2.535 4.075 599 HD13 LEU 82 HD13 LEU 82 -2.064 -4.034 3.294 600 HD21 LEU 82 HD21 LEU 82 -0.023 -3.233 1.186 601 HD22 LEU 82 HD22 LEU 82 1.232 -4.389 1.634 602 HD23 LEU 82 HD23 LEU 82 1.437 -2.676 2.004 603 H GLY 83 H GLY 83 -0.058 -2.610 7.504 604 HA2 GLY 83 HA2 GLY 83 0.763 -1.731 9.534 605 HA3 GLY 83 HA3 GLY 83 2.396 -1.839 8.894 606 H ILE 84 H ILE 84 -0.302 -0.384 7.182 607 HA ILE 84 HA ILE 84 1.117 2.187 7.293 608 HB ILE 84 HB ILE 84 -0.115 2.817 5.294 609 HG12 ILE 84 HG12 ILE 84 -1.332 0.048 5.423 610 HG13 ILE 84 HG13 ILE 84 -2.187 1.549 5.821 611 HG21 ILE 84 HG21 ILE 84 1.808 0.759 5.466 612 HG22 ILE 84 HG22 ILE 84 0.675 0.309 4.192 613 HG23 ILE 84 HG23 ILE 84 1.508 1.861 4.123 614 HD11 ILE 84 HD11 ILE 84 -2.551 2.065 3.680 615 HD12 ILE 84 HD12 ILE 84 -0.938 1.556 3.179 616 HD13 ILE 84 HD13 ILE 84 -2.215 0.359 3.387 617 H GLY 85 H GLY 85 -0.752 3.993 6.692 618 HA2 GLY 85 HA2 GLY 85 -2.708 3.739 8.894 619 HA3 GLY 85 HA3 GLY 85 -1.916 5.248 8.468 620 H GLN 86 H GLN 86 -4.028 2.739 7.092 621 HA GLN 86 HA GLN 86 -4.980 4.343 4.965 622 HB2 GLN 86 HB2 GLN 86 -6.034 1.847 6.294 623 HB3 GLN 86 HB3 GLN 86 -6.869 2.622 4.937 624 HG2 GLN 86 HG2 GLN 86 -4.724 2.405 3.626 625 HG3 GLN 86 HG3 GLN 86 -4.133 1.383 4.946 626 HE21 GLN 86 HE21 GLN 86 -4.059 0.072 2.784 627 HE22 GLN 86 HE22 GLN 86 -5.403 -0.986 2.545 628 H ASP 87 H ASP 87 -6.949 5.425 4.713 629 HA ASP 87 HA ASP 87 -8.549 6.915 5.358 630 HB2 ASP 87 HB2 ASP 87 -9.663 4.717 5.818 631 HB3 ASP 87 HB3 ASP 87 -9.140 4.867 7.501 632 H GLU 88 H GLU 88 -6.034 7.519 6.370 633 HA GLU 88 HA GLU 88 -6.192 8.094 9.178 634 HB2 GLU 88 HB2 GLU 88 -4.055 9.247 8.860 635 HB3 GLU 88 HB3 GLU 88 -4.037 7.644 8.114 636 HG2 GLU 88 HG2 GLU 88 -3.148 8.722 6.363 637 HG3 GLU 88 HG3 GLU 88 -4.833 9.140 6.018 638 H ALA 89 H ALA 89 -6.752 9.841 6.191 639 HA ALA 89 HA ALA 89 -6.926 12.429 7.371 640 HB1 ALA 89 HB1 ALA 89 -7.488 11.249 4.716 641 HB2 ALA 89 HB2 ALA 89 -8.308 12.759 5.112 642 HB3 ALA 89 HB3 ALA 89 -6.546 12.675 5.149 643 H ASP 90 H ASP 90 -8.311 12.007 9.187 644 HA ASP 90 HA ASP 90 -11.160 11.963 8.439 645 HB2 ASP 90 HB2 ASP 90 -9.684 10.270 10.335 646 HB3 ASP 90 HB3 ASP 90 -11.144 11.003 11.013 647 H ALA 91 H ALA 91 -9.430 12.447 11.506 648 HA ALA 91 HA ALA 91 -10.123 15.263 11.539 649 HB1 ALA 91 HB1 ALA 91 -11.425 15.200 13.548 650 HB2 ALA 91 HB2 ALA 91 -12.151 14.092 12.384 651 HB3 ALA 91 HB3 ALA 91 -11.177 13.462 13.712 652 H TYR 92 H TYR 92 -7.773 13.322 11.737 653 HA TYR 92 HA TYR 92 -6.450 14.733 13.925 654 HB2 TYR 92 HB2 TYR 92 -5.494 12.721 14.868 655 HB3 TYR 92 HB3 TYR 92 -7.254 12.584 14.866 656 HD1 TYR 92 HD2 TYR 92 -8.376 11.217 13.049 657 HD2 TYR 92 HD1 TYR 92 -4.182 11.094 13.759 658 HE1 TYR 92 HE2 TYR 92 -8.238 9.082 11.836 659 HE2 TYR 92 HE1 TYR 92 -4.033 8.959 12.547 660 HH TYR 92 HH TYR 92 -6.692 7.082 11.796 661 H ASP 93 H ASP 93 -4.020 13.539 13.894 662 HA ASP 93 HA ASP 93 -3.139 13.634 11.089 663 HB2 ASP 93 HB2 ASP 93 -2.714 15.819 12.188 664 HB3 ASP 93 HB3 ASP 93 -1.735 14.986 13.403 665 H CYS 94 H CYS 94 -1.609 12.178 10.517 666 HA CYS 94 HA CYS 94 -1.218 9.867 11.983 667 HB2 CYS 94 HB2 CYS 94 -0.006 11.092 9.587 668 HB3 CYS 94 HB3 CYS 94 1.016 9.914 10.413 669 H ASP 95 H ASP 95 0.702 8.990 12.983 670 HA ASP 95 HA ASP 95 2.886 10.637 13.745 671 HB2 ASP 95 HB2 ASP 95 2.445 10.858 16.120 672 HB3 ASP 95 HB3 ASP 95 1.136 11.613 15.202 673 H ALA 96 H ALA 96 2.724 8.151 12.568 674 HA ALA 96 HA ALA 96 2.829 5.927 14.227 675 HB1 ALA 96 HB1 ALA 96 4.731 5.504 12.199 676 HB2 ALA 96 HB2 ALA 96 3.045 4.987 12.230 677 HB3 ALA 96 HB3 ALA 96 3.479 6.537 11.508 678 H ALA 97 H ALA 97 5.170 8.440 13.708 679 HA ALA 97 HA ALA 97 7.537 7.240 14.471 680 HB1 ALA 97 HB1 ALA 97 8.382 9.378 14.873 681 HB2 ALA 97 HB2 ALA 97 7.095 9.645 13.695 682 HB3 ALA 97 HB3 ALA 97 6.818 9.999 15.401 683 H LYS 98 H LYS 98 4.805 8.164 16.433 684 HA LYS 98 HA LYS 98 6.266 7.658 18.907 685 HB2 LYS 98 HB2 LYS 98 3.989 9.227 18.159 686 HB3 LYS 98 HB3 LYS 98 3.507 8.077 19.416 687 HG2 LYS 98 HG2 LYS 98 4.185 9.801 20.735 688 HG3 LYS 98 HG3 LYS 98 5.722 8.935 20.565 689 HD2 LYS 98 HD2 LYS 98 6.451 11.028 20.028 690 HD3 LYS 98 HD3 LYS 98 5.928 10.495 18.421 691 HE2 LYS 98 HE2 LYS 98 4.883 12.541 18.531 692 HE3 LYS 98 HE3 LYS 98 3.620 11.489 19.186 693 HZ1 LYS 98 HZ1 LYS 98 3.936 12.260 21.299 694 HZ2 LYS 98 HZ2 LYS 98 4.308 13.658 20.423 695 HZ3 LYS 98 HZ3 LYS 98 5.551 12.691 21.040 696 H ARG 99 H ARG 99 5.584 6.098 20.445 697 HA ARG 99 HA ARG 99 3.557 4.177 19.822 698 HB2 ARG 99 HB2 ARG 99 5.523 2.334 20.007 699 HB3 ARG 99 HB3 ARG 99 4.878 2.931 18.470 700 HG2 ARG 99 HG2 ARG 99 6.729 4.206 18.008 701 HG3 ARG 99 HG3 ARG 99 7.158 4.377 19.719 702 HD2 ARG 99 HD2 ARG 99 8.373 2.475 19.749 703 HD3 ARG 99 HD3 ARG 99 7.214 1.619 18.724 704 HE ARG 99 HE ARG 99 8.517 2.117 16.920 705 HH11 ARG 99 HH11 ARG 99 9.308 4.309 19.506 706 HH12 ARG 99 HH12 ARG 99 10.634 5.035 18.661 707 HH21 ARG 99 HH21 ARG 99 10.262 3.065 15.796 708 HH22 ARG 99 HH22 ARG 99 11.175 4.327 16.550 709 H GLY 100 H GLY 100 6.675 3.809 21.499 710 HA2 GLY 100 HA2 GLY 100 6.458 4.455 23.991 711 HA3 GLY 100 HA3 GLY 100 5.169 3.260 23.967 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.393 -6.157 -50.126 2 HA2 GLY 1 HA2 GLY 1 13.301 -4.558 -51.266 3 HA3 GLY 1 HA3 GLY 1 12.858 -5.834 -51.431 4 H SER 2 H SER 2 14.544 -4.432 -48.797 5 HA SER 2 HA SER 2 13.104 -5.817 -46.774 6 HB2 SER 2 HB2 SER 2 14.115 -3.503 -45.585 7 HB3 SER 2 HB3 SER 2 14.923 -5.077 -45.680 8 HG SER 2 HG SER 2 15.137 -2.978 -47.582 9 H ARG 3 H ARG 3 11.696 -4.830 -45.171 10 HA ARG 3 HA ARG 3 10.362 -2.361 -45.843 11 HB2 ARG 3 HB2 ARG 3 8.095 -3.467 -45.883 12 HB3 ARG 3 HB3 ARG 3 9.108 -3.752 -47.306 13 HG2 ARG 3 HG2 ARG 3 9.596 -5.812 -45.375 14 HG3 ARG 3 HG3 ARG 3 7.856 -5.659 -45.670 15 HD2 ARG 3 HD2 ARG 3 9.748 -5.688 -47.994 16 HD3 ARG 3 HD3 ARG 3 9.324 -7.204 -47.186 17 HE ARG 3 HE ARG 3 6.923 -5.988 -47.676 18 HH11 ARG 3 HH11 ARG 3 9.646 -6.971 -49.609 19 HH12 ARG 3 HH12 ARG 3 8.696 -7.271 -51.027 20 HH21 ARG 3 HH21 ARG 3 5.663 -6.380 -49.536 21 HH22 ARG 3 HH22 ARG 3 6.432 -6.933 -50.985 22 H ARG 4 H ARG 4 9.525 -1.398 -44.071 23 HA ARG 4 HA ARG 4 8.748 -2.904 -41.742 24 HB2 ARG 4 HB2 ARG 4 10.342 -1.796 -40.215 25 HB3 ARG 4 HB3 ARG 4 11.145 -2.855 -41.385 26 HG2 ARG 4 HG2 ARG 4 12.180 -1.141 -42.463 27 HG3 ARG 4 HG3 ARG 4 10.876 0.004 -42.107 28 HD2 ARG 4 HD2 ARG 4 12.085 -0.833 -39.643 29 HD3 ARG 4 HD3 ARG 4 13.343 -0.301 -40.768 30 HE ARG 4 HE ARG 4 11.467 1.658 -40.932 31 HH11 ARG 4 HH11 ARG 4 13.212 0.176 -38.309 32 HH12 ARG 4 HH12 ARG 4 13.201 1.601 -37.324 33 HH21 ARG 4 HH21 ARG 4 11.446 3.541 -39.644 34 HH22 ARG 4 HH22 ARG 4 12.195 3.514 -38.084 35 H ALA 5 H ALA 5 7.742 -1.584 -40.113 36 HA ALA 5 HA ALA 5 7.155 1.175 -40.925 37 HB1 ALA 5 HB1 ALA 5 5.010 -0.745 -40.039 38 HB2 ALA 5 HB2 ALA 5 4.803 0.906 -40.621 39 HB3 ALA 5 HB3 ALA 5 5.349 -0.357 -41.725 40 H SER 6 H SER 6 5.829 2.279 -39.109 41 HA SER 6 HA SER 6 6.007 1.357 -36.455 42 HB2 SER 6 HB2 SER 6 8.468 2.329 -37.492 43 HB3 SER 6 HB3 SER 6 7.855 3.551 -36.364 44 HG SER 6 HG SER 6 7.449 1.469 -35.028 45 H VAL 7 H VAL 7 4.465 2.417 -35.408 46 HA VAL 7 HA VAL 7 4.121 5.278 -35.760 47 HB VAL 7 HB VAL 7 1.664 5.041 -36.162 48 HG11 VAL 7 HG11 VAL 7 1.858 4.822 -38.522 49 HG12 VAL 7 HG12 VAL 7 3.362 5.542 -37.945 50 HG13 VAL 7 HG13 VAL 7 3.309 3.831 -38.374 51 HG21 VAL 7 HG21 VAL 7 2.275 2.229 -37.027 52 HG22 VAL 7 HG22 VAL 7 1.658 2.606 -35.419 53 HG23 VAL 7 HG23 VAL 7 0.701 3.005 -36.845 54 H GLY 8 H GLY 8 2.607 6.204 -34.193 55 HA2 GLY 8 HA2 GLY 8 1.728 4.510 -32.011 56 HA3 GLY 8 HA3 GLY 8 3.044 5.600 -31.608 57 H SER 9 H SER 9 1.289 6.282 -30.045 58 HA SER 9 HA SER 9 -0.116 8.566 -31.217 59 HB2 SER 9 HB2 SER 9 -2.185 8.074 -30.063 60 HB3 SER 9 HB3 SER 9 -1.733 6.666 -31.039 61 HG SER 9 HG SER 9 -0.926 5.684 -29.158 62 H GLU 10 H GLU 10 -1.358 9.590 -29.063 63 HA GLU 10 HA GLU 10 0.663 9.770 -26.941 64 HB2 GLU 10 HB2 GLU 10 0.304 11.731 -28.879 65 HB3 GLU 10 HB3 GLU 10 -0.613 12.328 -27.488 66 HG2 GLU 10 HG2 GLU 10 1.357 12.124 -26.067 67 HG3 GLU 10 HG3 GLU 10 2.279 11.496 -27.440 68 H PHE 11 H PHE 11 -0.178 9.641 -24.966 69 HA PHE 11 HA PHE 11 -2.795 10.677 -24.351 70 HB2 PHE 11 HB2 PHE 11 -3.860 8.649 -23.724 71 HB3 PHE 11 HB3 PHE 11 -3.206 8.384 -25.341 72 HD1 PHE 11 HD1 PHE 11 -2.868 7.521 -21.804 73 HD2 PHE 11 HD2 PHE 11 -1.375 6.868 -25.735 74 HE1 PHE 11 HE1 PHE 11 -1.654 5.533 -21.009 75 HE2 PHE 11 HE2 PHE 11 -0.160 4.880 -24.948 76 HZ PHE 11 HZ PHE 11 -0.299 4.209 -22.582 77 H MET 12 H MET 12 -3.280 10.591 -22.056 78 HA MET 12 HA MET 12 -0.957 10.003 -20.357 79 HB2 MET 12 HB2 MET 12 -1.104 12.068 -19.203 80 HB3 MET 12 HB3 MET 12 -1.136 12.464 -20.927 81 HG2 MET 12 HG2 MET 12 -3.785 12.255 -20.450 82 HG3 MET 12 HG3 MET 12 -3.212 12.797 -18.870 83 HE1 MET 12 HE1 MET 12 -4.100 14.304 -22.574 84 HE2 MET 12 HE2 MET 12 -5.084 13.840 -21.185 85 HE3 MET 12 HE3 MET 12 -4.766 15.545 -21.511 86 H VAL 13 H VAL 13 -1.884 10.637 -17.923 87 HA VAL 13 HA VAL 13 -4.548 9.513 -17.578 88 HB VAL 13 HB VAL 13 -3.696 7.898 -15.847 89 HG11 VAL 13 HG11 VAL 13 -2.774 7.397 -18.675 90 HG12 VAL 13 HG12 VAL 13 -3.131 6.172 -17.457 91 HG13 VAL 13 HG13 VAL 13 -4.424 7.193 -18.088 92 HG21 VAL 13 HG21 VAL 13 -1.056 7.766 -17.127 93 HG22 VAL 13 HG22 VAL 13 -1.324 9.192 -16.126 94 HG23 VAL 13 HG23 VAL 13 -1.507 7.581 -15.432 95 H VAL 14 H VAL 14 -4.867 9.269 -15.018 96 HA VAL 14 HA VAL 14 -3.625 11.530 -13.637 97 HB VAL 14 HB VAL 14 -5.913 12.183 -12.759 98 HG11 VAL 14 HG11 VAL 14 -5.857 12.688 -15.692 99 HG12 VAL 14 HG12 VAL 14 -6.112 13.812 -14.355 100 HG13 VAL 14 HG13 VAL 14 -4.488 13.226 -14.719 101 HG21 VAL 14 HG21 VAL 14 -7.855 11.439 -13.741 102 HG22 VAL 14 HG22 VAL 14 -7.049 10.963 -15.235 103 HG23 VAL 14 HG23 VAL 14 -6.874 9.974 -13.785 104 H ASP 15 H ASP 15 -3.028 8.907 -13.163 105 HA ASP 15 HA ASP 15 -3.728 8.653 -10.400 106 HB2 ASP 15 HB2 ASP 15 -5.008 6.893 -12.447 107 HB3 ASP 15 HB3 ASP 15 -4.507 6.166 -10.915 108 H VAL 16 H VAL 16 -2.045 7.806 -9.354 109 HA VAL 16 HA VAL 16 -0.427 5.714 -10.492 110 HB VAL 16 HB VAL 16 0.472 7.868 -11.498 111 HG11 VAL 16 HG11 VAL 16 2.008 8.449 -9.078 112 HG12 VAL 16 HG12 VAL 16 1.244 9.546 -10.229 113 HG13 VAL 16 HG13 VAL 16 0.289 8.814 -8.939 114 HG21 VAL 16 HG21 VAL 16 2.876 7.102 -10.338 115 HG22 VAL 16 HG22 VAL 16 1.866 5.659 -10.253 116 HG23 VAL 16 HG23 VAL 16 2.156 6.442 -11.806 117 H THR 17 H THR 17 -2.046 6.409 -8.066 118 HA THR 17 HA THR 17 -0.230 6.646 -5.874 119 HB THR 17 HB THR 17 -2.170 6.107 -4.455 120 HG1 THR 17 HG1 THR 17 -3.477 4.744 -5.484 121 HG21 THR 17 HG21 THR 17 -3.467 8.054 -4.951 122 HG22 THR 17 HG22 THR 17 -2.973 8.022 -6.644 123 HG23 THR 17 HG23 THR 17 -1.797 8.410 -5.388 124 H ILE 18 H ILE 18 1.162 5.098 -5.347 125 HA ILE 18 HA ILE 18 0.212 2.310 -5.348 126 HB ILE 18 HB ILE 18 3.065 3.067 -5.937 127 HG12 ILE 18 HG12 ILE 18 1.656 4.039 -7.682 128 HG13 ILE 18 HG13 ILE 18 2.577 2.664 -8.314 129 HG21 ILE 18 HG21 ILE 18 1.449 0.547 -6.078 130 HG22 ILE 18 HG22 ILE 18 2.945 0.732 -6.992 131 HG23 ILE 18 HG23 ILE 18 2.967 0.844 -5.233 132 HD11 ILE 18 HD11 ILE 18 0.694 1.786 -9.059 133 HD12 ILE 18 HD12 ILE 18 0.139 1.620 -7.393 134 HD13 ILE 18 HD13 ILE 18 -0.243 3.077 -8.309 135 H GLU 19 H GLU 19 1.234 0.912 -3.795 136 HA GLU 19 HA GLU 19 3.043 1.857 -1.835 137 HB2 GLU 19 HB2 GLU 19 1.406 1.763 0.099 138 HB3 GLU 19 HB3 GLU 19 1.293 3.184 -0.952 139 HG2 GLU 19 HG2 GLU 19 -0.574 2.030 -2.170 140 HG3 GLU 19 HG3 GLU 19 -0.533 0.798 -0.899 141 H ASP 20 H ASP 20 3.834 -0.205 -2.661 142 HA ASP 20 HA ASP 20 2.562 -2.494 -1.309 143 HB2 ASP 20 HB2 ASP 20 4.364 -2.864 -3.678 144 HB3 ASP 20 HB3 ASP 20 3.055 -3.898 -3.092 145 H SER 21 H SER 21 3.710 -3.238 0.336 146 HA SER 21 HA SER 21 6.402 -3.974 0.213 147 HB2 SER 21 HB2 SER 21 6.199 -1.228 0.446 148 HB3 SER 21 HB3 SER 21 6.409 -1.753 2.126 149 HG SER 21 HG SER 21 8.447 -1.708 1.511 150 H TYR 22 H TYR 22 7.223 -3.709 2.827 151 HA TYR 22 HA TYR 22 6.915 -4.466 4.960 152 HB2 TYR 22 HB2 TYR 22 4.517 -3.280 4.417 153 HB3 TYR 22 HB3 TYR 22 4.012 -4.940 4.746 154 HD1 TYR 22 HD2 TYR 22 6.003 -2.156 6.207 155 HD2 TYR 22 HD1 TYR 22 3.768 -5.701 6.940 156 HE1 TYR 22 HE2 TYR 22 6.147 -1.740 8.627 157 HE2 TYR 22 HE1 TYR 22 3.905 -5.295 9.361 158 HH TYR 22 HH TYR 22 5.301 -4.086 10.949 159 H SER 23 H SER 23 4.403 -6.097 3.017 160 HA SER 23 HA SER 23 4.595 -8.600 4.147 161 HB2 SER 23 HB2 SER 23 4.023 -7.923 1.244 162 HB3 SER 23 HB3 SER 23 3.661 -9.472 2.025 163 HG SER 23 HG SER 23 1.916 -8.622 2.804 164 H THR 24 H THR 24 5.605 -10.565 3.438 165 HA THR 24 HA THR 24 8.363 -10.148 2.673 166 HB THR 24 HB THR 24 8.091 -12.862 2.834 167 HG1 THR 24 HG1 THR 24 6.378 -11.840 4.854 168 HG21 THR 24 HG21 THR 24 8.749 -10.731 4.822 169 HG22 THR 24 HG22 THR 24 9.800 -11.933 4.073 170 HG23 THR 24 HG23 THR 24 8.682 -12.412 5.349 171 H GLU 25 H GLU 25 6.138 -12.710 1.611 172 HA GLU 25 HA GLU 25 7.346 -12.617 -1.038 173 HB2 GLU 25 HB2 GLU 25 5.386 -14.534 0.240 174 HB3 GLU 25 HB3 GLU 25 5.956 -14.671 -1.429 175 HG2 GLU 25 HG2 GLU 25 8.046 -14.466 0.653 176 HG3 GLU 25 HG3 GLU 25 7.087 -15.953 0.629 177 H SER 26 H SER 26 3.969 -13.188 -0.089 178 HA SER 26 HA SER 26 2.823 -12.232 -2.421 179 HB2 SER 26 HB2 SER 26 1.404 -11.855 0.199 180 HB3 SER 26 HB3 SER 26 0.766 -12.428 -1.352 181 HG SER 26 HG SER 26 1.086 -14.359 -0.618 182 H ALA 27 H ALA 27 2.394 -10.278 -3.239 183 HA ALA 27 HA ALA 27 3.008 -7.933 -1.566 184 HB1 ALA 27 HB1 ALA 27 3.773 -8.664 -4.239 185 HB2 ALA 27 HB2 ALA 27 2.912 -7.125 -4.243 186 HB3 ALA 27 HB3 ALA 27 4.343 -7.331 -3.234 187 H TRP 28 H TRP 28 1.747 -5.971 -2.002 188 HA TRP 28 HA TRP 28 -1.068 -6.654 -2.461 189 HB2 TRP 28 HB2 TRP 28 0.320 -4.447 -0.953 190 HB3 TRP 28 HB3 TRP 28 -1.371 -4.285 -1.434 191 HD1 TRP 28 HD1 TRP 28 0.682 -5.588 1.327 192 HE1 TRP 28 HE1 TRP 28 -0.737 -7.024 2.922 193 HE3 TRP 28 HE3 TRP 28 -3.470 -6.181 -1.596 194 HZ2 TRP 28 HZ2 TRP 28 -3.281 -8.248 2.938 195 HZ3 TRP 28 HZ3 TRP 28 -5.352 -7.499 -0.716 196 HH2 TRP 28 HH2 TRP 28 -5.258 -8.512 1.504 197 H VAL 29 H VAL 29 -2.192 -5.867 -4.137 198 HA VAL 29 HA VAL 29 -1.016 -3.676 -5.711 199 HB VAL 29 HB VAL 29 -0.538 -5.787 -6.865 200 HG11 VAL 29 HG11 VAL 29 -2.501 -7.036 -7.846 201 HG12 VAL 29 HG12 VAL 29 -2.262 -7.225 -6.108 202 HG13 VAL 29 HG13 VAL 29 -3.521 -6.150 -6.715 203 HG21 VAL 29 HG21 VAL 29 -1.648 -3.510 -7.941 204 HG22 VAL 29 HG22 VAL 29 -0.847 -4.795 -8.844 205 HG23 VAL 29 HG23 VAL 29 -2.601 -4.804 -8.668 206 H ARG 30 H ARG 30 -2.452 -2.251 -6.640 207 HA ARG 30 HA ARG 30 -5.244 -2.533 -5.759 208 HB2 ARG 30 HB2 ARG 30 -3.941 -0.572 -4.918 209 HB3 ARG 30 HB3 ARG 30 -3.801 -0.012 -6.592 210 HG2 ARG 30 HG2 ARG 30 -6.505 -0.405 -6.336 211 HG3 ARG 30 HG3 ARG 30 -6.036 0.194 -4.735 212 HD2 ARG 30 HD2 ARG 30 -6.608 2.089 -6.092 213 HD3 ARG 30 HD3 ARG 30 -4.855 2.081 -5.853 214 HE ARG 30 HE ARG 30 -5.642 0.751 -8.262 215 HH11 ARG 30 HH11 ARG 30 -4.985 3.852 -6.823 216 HH12 ARG 30 HH12 ARG 30 -4.575 4.609 -8.326 217 HH21 ARG 30 HH21 ARG 30 -5.104 1.736 -10.248 218 HH22 ARG 30 HH22 ARG 30 -4.644 3.405 -10.275 219 H CYS 31 H CYS 31 -6.930 -2.266 -7.184 220 HA CYS 31 HA CYS 31 -6.356 -2.825 -9.938 221 HB2 CYS 31 HB2 CYS 31 -8.276 -3.841 -8.793 222 HB3 CYS 31 HB3 CYS 31 -8.988 -2.243 -8.565 223 H ASP 32 H ASP 32 -6.622 -1.525 -11.709 224 HA ASP 32 HA ASP 32 -6.783 1.346 -11.156 225 HB2 ASP 32 HB2 ASP 32 -5.011 -0.085 -12.681 226 HB3 ASP 32 HB3 ASP 32 -6.154 0.495 -13.900 227 H ASP 33 H ASP 33 -9.187 -0.129 -11.063 228 HA ASP 33 HA ASP 33 -10.669 1.261 -13.149 229 HB2 ASP 33 HB2 ASP 33 -10.090 -1.165 -13.860 230 HB3 ASP 33 HB3 ASP 33 -11.297 -1.638 -12.655 231 H CYS 34 H CYS 34 -10.777 -0.790 -10.267 232 HA CYS 34 HA CYS 34 -13.214 0.644 -9.434 233 HB2 CYS 34 HB2 CYS 34 -13.871 -1.314 -8.165 234 HB3 CYS 34 HB3 CYS 34 -13.592 -1.765 -9.847 235 H PHE 35 H PHE 35 -9.955 0.151 -8.820 236 HA PHE 35 HA PHE 35 -8.554 0.767 -7.140 237 HB2 PHE 35 HB2 PHE 35 -10.955 2.488 -6.699 238 HB3 PHE 35 HB3 PHE 35 -9.724 2.443 -5.435 239 HD1 PHE 35 HD2 PHE 35 -9.569 2.505 -9.165 240 HD2 PHE 35 HD1 PHE 35 -8.393 4.303 -5.491 241 HE1 PHE 35 HE2 PHE 35 -8.208 4.137 -10.404 242 HE2 PHE 35 HE1 PHE 35 -7.031 5.940 -6.725 243 HZ PHE 35 HZ PHE 35 -6.937 5.858 -9.184 244 H LYS 36 H LYS 36 -8.861 -1.561 -6.536 245 HA LYS 36 HA LYS 36 -9.772 -1.704 -3.750 246 HB2 LYS 36 HB2 LYS 36 -11.294 -2.773 -5.698 247 HB3 LYS 36 HB3 LYS 36 -10.193 -4.129 -5.403 248 HG2 LYS 36 HG2 LYS 36 -11.905 -4.623 -3.957 249 HG3 LYS 36 HG3 LYS 36 -10.801 -3.723 -2.903 250 HD2 LYS 36 HD2 LYS 36 -12.092 -1.705 -3.150 251 HD3 LYS 36 HD3 LYS 36 -13.125 -2.476 -4.366 252 HE2 LYS 36 HE2 LYS 36 -13.242 -4.176 -2.145 253 HE3 LYS 36 HE3 LYS 36 -13.320 -2.537 -1.485 254 HZ1 LYS 36 HZ1 LYS 36 -15.280 -3.987 -2.998 255 HZ2 LYS 36 HZ2 LYS 36 -15.008 -2.433 -3.606 256 HZ3 LYS 36 HZ3 LYS 36 -15.473 -2.640 -1.993 257 H TRP 37 H TRP 37 -8.567 -3.024 -2.419 258 HA TRP 37 HA TRP 37 -5.896 -3.564 -3.257 259 HB2 TRP 37 HB2 TRP 37 -7.462 -3.861 -0.733 260 HB3 TRP 37 HB3 TRP 37 -5.982 -4.806 -0.894 261 HD1 TRP 37 HD1 TRP 37 -6.890 -1.808 0.701 262 HE1 TRP 37 HE1 TRP 37 -4.984 -0.081 0.792 263 HE3 TRP 37 HE3 TRP 37 -3.840 -3.775 -2.899 264 HZ2 TRP 37 HZ2 TRP 37 -2.515 0.386 -0.493 265 HZ3 TRP 37 HZ3 TRP 37 -1.724 -2.626 -3.409 266 HH2 TRP 37 HH2 TRP 37 -1.078 -0.589 -2.230 267 H ARG 38 H ARG 38 -4.890 -5.486 -3.692 268 HA ARG 38 HA ARG 38 -6.444 -7.957 -3.549 269 HB2 ARG 38 HB2 ARG 38 -6.305 -6.577 -5.914 270 HB3 ARG 38 HB3 ARG 38 -4.937 -7.691 -6.055 271 HG2 ARG 38 HG2 ARG 38 -6.681 -8.873 -7.024 272 HG3 ARG 38 HG3 ARG 38 -6.613 -9.516 -5.374 273 HD2 ARG 38 HD2 ARG 38 -8.526 -8.348 -4.695 274 HD3 ARG 38 HD3 ARG 38 -8.411 -7.217 -6.050 275 HE ARG 38 HE ARG 38 -8.871 -9.950 -6.836 276 HH11 ARG 38 HH11 ARG 38 -10.333 -6.934 -5.899 277 HH12 ARG 38 HH12 ARG 38 -11.848 -7.279 -6.666 278 HH21 ARG 38 HH21 ARG 38 -10.860 -10.418 -7.850 279 HH22 ARG 38 HH22 ARG 38 -12.147 -9.262 -7.775 280 H ARG 39 H ARG 39 -5.248 -9.522 -2.698 281 HA ARG 39 HA ARG 39 -2.391 -9.139 -2.394 282 HB2 ARG 39 HB2 ARG 39 -4.093 -10.031 -0.629 283 HB3 ARG 39 HB3 ARG 39 -3.871 -11.576 -1.465 284 HG2 ARG 39 HG2 ARG 39 -1.286 -10.818 -1.105 285 HG3 ARG 39 HG3 ARG 39 -2.062 -10.131 0.333 286 HD2 ARG 39 HD2 ARG 39 -3.204 -12.547 0.392 287 HD3 ARG 39 HD3 ARG 39 -1.716 -12.966 -0.467 288 HE ARG 39 HE ARG 39 -1.074 -11.429 1.802 289 HH11 ARG 39 HH11 ARG 39 -2.245 -14.588 0.922 290 HH12 ARG 39 HH12 ARG 39 -1.594 -15.364 2.328 291 HH21 ARG 39 HH21 ARG 39 -0.214 -12.439 3.657 292 HH22 ARG 39 HH22 ARG 39 -0.441 -14.141 3.884 293 H ILE 40 H ILE 40 -0.978 -9.871 -3.826 294 HA ILE 40 HA ILE 40 -1.647 -12.301 -5.353 295 HB ILE 40 HB ILE 40 -0.582 -11.449 -7.294 296 HG12 ILE 40 HG12 ILE 40 0.268 -9.119 -5.557 297 HG13 ILE 40 HG13 ILE 40 1.324 -10.347 -6.278 298 HG21 ILE 40 HG21 ILE 40 -2.233 -9.219 -6.112 299 HG22 ILE 40 HG22 ILE 40 -1.919 -9.490 -7.826 300 HG23 ILE 40 HG23 ILE 40 -2.872 -10.656 -6.908 301 HD11 ILE 40 HD11 ILE 40 0.167 -7.936 -7.473 302 HD12 ILE 40 HD12 ILE 40 1.655 -8.802 -7.860 303 HD13 ILE 40 HD13 ILE 40 0.111 -9.376 -8.490 304 HA PRO 41 HA PRO 41 2.118 -14.066 -3.941 305 HB2 PRO 41 HB2 PRO 41 2.769 -15.668 -6.063 306 HB3 PRO 41 HB3 PRO 41 1.441 -16.012 -4.956 307 HG2 PRO 41 HG2 PRO 41 1.376 -14.693 -7.650 308 HG3 PRO 41 HG3 PRO 41 0.298 -15.974 -6.980 309 HD2 PRO 41 HD2 PRO 41 -0.428 -13.360 -7.095 310 HD3 PRO 41 HD3 PRO 41 -0.948 -14.441 -5.792 311 H ALA 42 H ALA 42 4.401 -14.098 -4.254 312 HA ALA 42 HA ALA 42 5.432 -11.771 -5.512 313 HB1 ALA 42 HB1 ALA 42 7.458 -12.301 -4.539 314 HB2 ALA 42 HB2 ALA 42 6.313 -13.091 -3.455 315 HB3 ALA 42 HB3 ALA 42 7.183 -14.039 -4.662 316 H SER 43 H SER 43 4.634 -14.802 -6.728 317 HA SER 43 HA SER 43 6.697 -15.021 -8.711 318 HB2 SER 43 HB2 SER 43 4.662 -16.692 -7.691 319 HB3 SER 43 HB3 SER 43 4.305 -16.471 -9.413 320 HG SER 43 HG SER 43 6.684 -16.950 -9.652 321 H VAL 44 H VAL 44 3.429 -13.733 -8.580 322 HA VAL 44 HA VAL 44 3.481 -13.079 -11.422 323 HB VAL 44 HB VAL 44 1.403 -13.969 -10.362 324 HG11 VAL 44 HG11 VAL 44 1.344 -11.277 -9.003 325 HG12 VAL 44 HG12 VAL 44 0.050 -12.476 -8.981 326 HG13 VAL 44 HG13 VAL 44 1.596 -12.831 -8.209 327 HG21 VAL 44 HG21 VAL 44 0.429 -13.006 -12.108 328 HG22 VAL 44 HG22 VAL 44 0.263 -11.509 -11.191 329 HG23 VAL 44 HG23 VAL 44 1.705 -11.790 -12.165 330 H VAL 45 H VAL 45 3.693 -11.536 -8.286 331 HA VAL 45 HA VAL 45 3.302 -8.872 -9.034 332 HB VAL 45 HB VAL 45 3.676 -9.992 -6.672 333 HG11 VAL 45 HG11 VAL 45 6.398 -8.803 -7.174 334 HG12 VAL 45 HG12 VAL 45 5.835 -9.649 -5.731 335 HG13 VAL 45 HG13 VAL 45 6.063 -10.534 -7.240 336 HG21 VAL 45 HG21 VAL 45 3.753 -7.295 -7.683 337 HG22 VAL 45 HG22 VAL 45 3.020 -7.918 -6.205 338 HG23 VAL 45 HG23 VAL 45 4.718 -7.442 -6.216 339 H GLY 46 H GLY 46 5.986 -10.997 -9.550 340 HA2 GLY 46 HA2 GLY 46 7.786 -8.794 -10.217 341 HA3 GLY 46 HA3 GLY 46 8.204 -10.501 -10.167 342 H SER 47 H SER 47 5.315 -9.707 -11.829 343 HA SER 47 HA SER 47 6.684 -9.612 -14.416 344 HB2 SER 47 HB2 SER 47 5.367 -11.928 -13.382 345 HB3 SER 47 HB3 SER 47 4.395 -11.289 -14.721 346 HG SER 47 HG SER 47 6.581 -12.718 -14.906 347 H ILE 48 H ILE 48 3.633 -9.389 -12.640 348 HA ILE 48 HA ILE 48 2.302 -7.968 -14.757 349 HB ILE 48 HB ILE 48 0.488 -7.644 -13.093 350 HG12 ILE 48 HG12 ILE 48 1.252 -9.468 -11.089 351 HG13 ILE 48 HG13 ILE 48 2.615 -8.351 -11.276 352 HG21 ILE 48 HG21 ILE 48 1.590 -10.390 -13.588 353 HG22 ILE 48 HG22 ILE 48 0.049 -10.137 -12.770 354 HG23 ILE 48 HG23 ILE 48 0.276 -9.562 -14.421 355 HD11 ILE 48 HD11 ILE 48 -0.195 -7.745 -10.463 356 HD12 ILE 48 HD12 ILE 48 1.316 -7.341 -9.648 357 HD13 ILE 48 HD13 ILE 48 0.854 -6.490 -11.121 358 H ASP 49 H ASP 49 4.257 -7.150 -12.036 359 HA ASP 49 HA ASP 49 3.359 -4.422 -11.841 360 HB2 ASP 49 HB2 ASP 49 4.472 -5.946 -10.018 361 HB3 ASP 49 HB3 ASP 49 5.980 -5.372 -10.741 362 H GLU 50 H GLU 50 3.778 -4.517 -14.382 363 HA GLU 50 HA GLU 50 6.516 -3.603 -14.927 364 HB2 GLU 50 HB2 GLU 50 6.074 -4.023 -17.261 365 HB3 GLU 50 HB3 GLU 50 5.621 -5.452 -16.320 366 HG2 GLU 50 HG2 GLU 50 3.290 -3.933 -16.441 367 HG3 GLU 50 HG3 GLU 50 4.010 -3.802 -18.052 368 H SER 51 H SER 51 3.973 -2.173 -13.808 369 HA SER 51 HA SER 51 3.192 -0.035 -13.808 370 HB2 SER 51 HB2 SER 51 5.823 0.147 -15.019 371 HB3 SER 51 HB3 SER 51 4.721 1.354 -15.706 372 HG SER 51 HG SER 51 5.190 0.945 -12.934 373 H SER 52 H SER 52 2.696 -2.135 -16.070 374 HA SER 52 HA SER 52 1.614 -0.374 -18.131 375 HB2 SER 52 HB2 SER 52 2.877 -2.362 -18.850 376 HB3 SER 52 HB3 SER 52 1.719 -3.398 -17.996 377 HG SER 52 HG SER 52 1.283 -3.171 -20.268 378 H ARG 53 H ARG 53 0.413 -0.301 -15.535 379 HA ARG 53 HA ARG 53 -1.665 -0.183 -14.615 380 HB2 ARG 53 HB2 ARG 53 -2.102 -0.161 -17.457 381 HB3 ARG 53 HB3 ARG 53 -3.403 -1.059 -16.660 382 HG2 ARG 53 HG2 ARG 53 -4.068 0.788 -15.377 383 HG3 ARG 53 HG3 ARG 53 -2.560 1.655 -15.707 384 HD2 ARG 53 HD2 ARG 53 -4.699 0.998 -17.747 385 HD3 ARG 53 HD3 ARG 53 -4.435 2.575 -16.990 386 HE ARG 53 HE ARG 53 -2.978 1.466 -19.175 387 HH11 ARG 53 HH11 ARG 53 -2.711 3.556 -16.404 388 HH12 ARG 53 HH12 ARG 53 -1.404 4.481 -17.064 389 HH21 ARG 53 HH21 ARG 53 -1.256 2.676 -20.055 390 HH22 ARG 53 HH22 ARG 53 -0.577 3.980 -19.141 391 H TRP 54 H TRP 54 -3.160 -1.521 -13.578 392 HA TRP 54 HA TRP 54 -3.123 -4.365 -14.281 393 HB2 TRP 54 HB2 TRP 54 -1.393 -3.928 -12.520 394 HB3 TRP 54 HB3 TRP 54 -2.686 -3.359 -11.464 395 HD1 TRP 54 HD1 TRP 54 -1.165 -6.556 -12.834 396 HE1 TRP 54 HE1 TRP 54 -2.216 -8.571 -11.629 397 HE3 TRP 54 HE3 TRP 54 -4.900 -4.137 -10.317 398 HZ2 TRP 54 HZ2 TRP 54 -4.348 -9.072 -9.847 399 HZ3 TRP 54 HZ3 TRP 54 -6.402 -5.458 -8.883 400 HH2 TRP 54 HH2 TRP 54 -6.130 -7.873 -8.655 401 H ILE 55 H ILE 55 -4.918 -5.563 -13.500 402 HA ILE 55 HA ILE 55 -7.055 -4.116 -12.160 403 HB ILE 55 HB ILE 55 -8.687 -4.999 -13.948 404 HG12 ILE 55 HG12 ILE 55 -6.087 -4.970 -15.502 405 HG13 ILE 55 HG13 ILE 55 -7.116 -6.380 -15.191 406 HG21 ILE 55 HG21 ILE 55 -8.555 -2.942 -15.178 407 HG22 ILE 55 HG22 ILE 55 -8.150 -2.619 -13.493 408 HG23 ILE 55 HG23 ILE 55 -6.872 -2.716 -14.704 409 HD11 ILE 55 HD11 ILE 55 -8.005 -5.974 -17.186 410 HD12 ILE 55 HD12 ILE 55 -8.849 -4.637 -16.402 411 HD13 ILE 55 HD13 ILE 55 -7.332 -4.347 -17.253 412 H CYS 56 H CYS 56 -8.917 -5.564 -11.660 413 HA CYS 56 HA CYS 56 -8.096 -7.861 -10.336 414 HB2 CYS 56 HB2 CYS 56 -10.876 -7.282 -11.387 415 HB3 CYS 56 HB3 CYS 56 -10.466 -8.384 -10.072 416 H MET 57 H MET 57 -9.809 -7.614 -13.450 417 HA MET 57 HA MET 57 -9.911 -10.350 -14.010 418 HB2 MET 57 HB2 MET 57 -10.156 -9.647 -16.394 419 HB3 MET 57 HB3 MET 57 -11.250 -8.813 -15.281 420 HG2 MET 57 HG2 MET 57 -9.014 -7.171 -15.363 421 HG3 MET 57 HG3 MET 57 -9.209 -7.736 -17.025 422 HE1 MET 57 HE1 MET 57 -10.469 -5.893 -14.087 423 HE2 MET 57 HE2 MET 57 -11.824 -4.913 -14.644 424 HE3 MET 57 HE3 MET 57 -12.080 -6.601 -14.200 425 H ASN 58 H ASN 58 -7.277 -8.149 -14.086 426 HA ASN 58 HA ASN 58 -5.663 -9.763 -15.872 427 HB2 ASN 58 HB2 ASN 58 -5.398 -7.132 -14.518 428 HB3 ASN 58 HB3 ASN 58 -3.896 -8.009 -14.833 429 HD21 ASN 58 HD21 ASN 58 -6.882 -7.876 -16.719 430 HD22 ASN 58 HD22 ASN 58 -6.158 -7.227 -18.147 431 H ASN 59 H ASN 59 -6.502 -9.863 -12.639 432 HA ASN 59 HA ASN 59 -4.160 -10.518 -11.301 433 HB2 ASN 59 HB2 ASN 59 -6.460 -10.169 -10.301 434 HB3 ASN 59 HB3 ASN 59 -6.838 -11.823 -10.800 435 HD21 ASN 59 HD21 ASN 59 -7.203 -12.032 -8.454 436 HD22 ASN 59 HD22 ASN 59 -5.857 -12.449 -7.456 437 H SER 60 H SER 60 -3.165 -12.496 -10.781 438 HA SER 60 HA SER 60 -2.970 -14.325 -12.944 439 HB2 SER 60 HB2 SER 60 -1.257 -13.644 -11.020 440 HB3 SER 60 HB3 SER 60 -1.956 -15.074 -10.238 441 HG SER 60 HG SER 60 -1.513 -16.041 -12.475 442 H ASP 61 H ASP 61 -4.718 -14.318 -9.915 443 HA ASP 61 HA ASP 61 -5.393 -17.071 -9.878 444 HB2 ASP 61 HB2 ASP 61 -5.652 -15.007 -8.112 445 HB3 ASP 61 HB3 ASP 61 -7.323 -15.201 -8.664 446 H LYS 62 H LYS 62 -8.089 -17.257 -9.614 447 HA LYS 62 HA LYS 62 -9.200 -16.305 -12.161 448 HB2 LYS 62 HB2 LYS 62 -10.273 -18.529 -12.476 449 HB3 LYS 62 HB3 LYS 62 -8.507 -18.570 -12.588 450 HG2 LYS 62 HG2 LYS 62 -8.634 -20.311 -11.199 451 HG3 LYS 62 HG3 LYS 62 -8.908 -19.091 -9.941 452 HD2 LYS 62 HD2 LYS 62 -11.382 -19.274 -10.464 453 HD3 LYS 62 HD3 LYS 62 -10.968 -20.699 -11.436 454 HE2 LYS 62 HE2 LYS 62 -10.347 -20.355 -8.492 455 HE3 LYS 62 HE3 LYS 62 -11.693 -21.291 -9.156 456 HZ1 LYS 62 HZ1 LYS 62 -8.862 -21.938 -9.059 457 HZ2 LYS 62 HZ2 LYS 62 -9.669 -22.381 -10.477 458 HZ3 LYS 62 HZ3 LYS 62 -10.210 -22.958 -8.982 459 H ARG 63 H ARG 63 -9.821 -17.674 -8.963 460 HA ARG 63 HA ARG 63 -12.632 -17.154 -9.033 461 HB2 ARG 63 HB2 ARG 63 -11.051 -18.744 -7.506 462 HB3 ARG 63 HB3 ARG 63 -11.307 -17.382 -6.404 463 HG2 ARG 63 HG2 ARG 63 -12.964 -19.082 -5.986 464 HG3 ARG 63 HG3 ARG 63 -13.738 -17.644 -6.671 465 HD2 ARG 63 HD2 ARG 63 -14.279 -18.679 -8.630 466 HD3 ARG 63 HD3 ARG 63 -12.846 -19.715 -8.587 467 HE ARG 63 HE ARG 63 -15.431 -20.376 -7.635 468 HH11 ARG 63 HH11 ARG 63 -12.048 -20.807 -6.937 469 HH12 ARG 63 HH12 ARG 63 -12.276 -22.316 -6.117 470 HH21 ARG 63 HH21 ARG 63 -15.744 -22.362 -6.558 471 HH22 ARG 63 HH22 ARG 63 -14.378 -23.199 -5.903 472 H PHE 64 H PHE 64 -9.821 -15.321 -8.232 473 HA PHE 64 HA PHE 64 -11.541 -13.136 -7.260 474 HB2 PHE 64 HB2 PHE 64 -8.864 -14.098 -6.312 475 HB3 PHE 64 HB3 PHE 64 -9.267 -12.386 -6.161 476 HD1 PHE 64 HD2 PHE 64 -10.262 -15.778 -5.123 477 HD2 PHE 64 HD1 PHE 64 -10.784 -11.596 -4.525 478 HE1 PHE 64 HE2 PHE 64 -11.504 -16.234 -3.049 479 HE2 PHE 64 HE1 PHE 64 -12.026 -12.045 -2.448 480 HZ PHE 64 HZ PHE 64 -12.388 -14.366 -1.708 481 H ALA 65 H ALA 65 -10.569 -13.870 -9.992 482 HA ALA 65 HA ALA 65 -8.945 -11.491 -10.592 483 HB1 ALA 65 HB1 ALA 65 -9.436 -13.634 -12.605 484 HB2 ALA 65 HB2 ALA 65 -8.039 -12.579 -12.399 485 HB3 ALA 65 HB3 ALA 65 -8.295 -13.929 -11.292 486 H ASP 66 H ASP 66 -11.088 -10.350 -10.238 487 HA ASP 66 HA ASP 66 -12.109 -9.480 -12.695 488 HB2 ASP 66 HB2 ASP 66 -13.481 -11.783 -11.500 489 HB3 ASP 66 HB3 ASP 66 -14.555 -10.419 -11.845 490 H CYS 67 H CYS 67 -13.337 -7.632 -12.475 491 HA CYS 67 HA CYS 67 -13.170 -6.270 -10.006 492 HB2 CYS 67 HB2 CYS 67 -14.375 -5.716 -12.680 493 HB3 CYS 67 HB3 CYS 67 -14.898 -4.723 -11.319 494 H SER 68 H SER 68 -15.562 -8.335 -11.384 495 HA SER 68 HA SER 68 -17.773 -7.408 -9.830 496 HB2 SER 68 HB2 SER 68 -17.761 -8.802 -12.041 497 HB3 SER 68 HB3 SER 68 -17.598 -10.190 -10.951 498 HG SER 68 HG SER 68 -19.722 -8.349 -11.160 499 H LYS 69 H LYS 69 -15.200 -9.703 -9.355 500 HA LYS 69 HA LYS 69 -16.364 -11.128 -7.193 501 HB2 LYS 69 HB2 LYS 69 -13.414 -10.727 -7.718 502 HB3 LYS 69 HB3 LYS 69 -14.181 -12.059 -6.840 503 HG2 LYS 69 HG2 LYS 69 -14.620 -11.512 -9.775 504 HG3 LYS 69 HG3 LYS 69 -13.408 -12.636 -9.137 505 HD2 LYS 69 HD2 LYS 69 -14.971 -14.167 -8.437 506 HD3 LYS 69 HD3 LYS 69 -16.224 -12.932 -8.216 507 HE2 LYS 69 HE2 LYS 69 -16.648 -12.789 -10.549 508 HE3 LYS 69 HE3 LYS 69 -15.184 -13.709 -10.930 509 HZ1 LYS 69 HZ1 LYS 69 -17.758 -14.679 -9.888 510 HZ2 LYS 69 HZ2 LYS 69 -16.347 -15.550 -9.553 511 HZ3 LYS 69 HZ3 LYS 69 -16.816 -15.287 -11.156 512 H SER 70 H SER 70 -16.163 -10.862 -4.995 513 HA SER 70 HA SER 70 -15.926 -8.220 -4.024 514 HB2 SER 70 HB2 SER 70 -15.580 -10.191 -1.929 515 HB3 SER 70 HB3 SER 70 -16.946 -9.101 -2.232 516 HG SER 70 HG SER 70 -17.805 -11.076 -2.506 517 H GLN 71 H GLN 71 -14.487 -7.841 -1.977 518 HA GLN 71 HA GLN 71 -11.787 -7.872 -2.880 519 HB2 GLN 71 HB2 GLN 71 -12.893 -6.088 -1.458 520 HB3 GLN 71 HB3 GLN 71 -12.733 -7.206 -0.094 521 HG2 GLN 71 HG2 GLN 71 -10.422 -7.055 -0.052 522 HG3 GLN 71 HG3 GLN 71 -10.339 -6.477 -1.722 523 HE21 GLN 71 HE21 GLN 71 -8.891 -5.115 -0.003 524 HE22 GLN 71 HE22 GLN 71 -9.609 -3.593 0.389 525 H GLU 72 H GLU 72 -9.965 -8.672 -1.536 526 HA GLU 72 HA GLU 72 -10.459 -11.436 -0.807 527 HB2 GLU 72 HB2 GLU 72 -7.817 -9.967 -0.760 528 HB3 GLU 72 HB3 GLU 72 -8.087 -11.715 -0.845 529 HG2 GLU 72 HG2 GLU 72 -9.414 -10.851 -3.069 530 HG3 GLU 72 HG3 GLU 72 -8.064 -9.711 -2.972 531 H MET 73 H MET 73 -9.325 -8.455 0.716 532 HA MET 73 HA MET 73 -9.892 -9.656 3.329 533 HB2 MET 73 HB2 MET 73 -7.352 -8.266 2.492 534 HB3 MET 73 HB3 MET 73 -7.844 -8.374 4.189 535 HG2 MET 73 HG2 MET 73 -8.076 -10.968 3.456 536 HG3 MET 73 HG3 MET 73 -6.764 -10.440 2.401 537 HE1 MET 73 HE1 MET 73 -5.375 -8.416 3.548 538 HE2 MET 73 HE2 MET 73 -5.632 -8.109 5.265 539 HE3 MET 73 HE3 MET 73 -4.191 -8.975 4.730 540 H SER 74 H SER 74 -9.999 -7.959 5.070 541 HA SER 74 HA SER 74 -11.650 -5.789 4.123 542 HB2 SER 74 HB2 SER 74 -10.780 -6.399 6.964 543 HB3 SER 74 HB3 SER 74 -12.137 -5.377 6.457 544 HG SER 74 HG SER 74 -13.207 -7.177 5.707 545 H ASN 75 H ASN 75 -11.298 -3.569 4.563 546 HA ASN 75 HA ASN 75 -8.811 -2.567 3.933 547 HB2 ASN 75 HB2 ASN 75 -11.254 -1.411 5.209 548 HB3 ASN 75 HB3 ASN 75 -9.771 -0.449 5.221 549 HD21 ASN 75 HD21 ASN 75 -8.611 -0.830 2.892 550 HD22 ASN 75 HD22 ASN 75 -9.635 -0.371 1.578 551 H GLU 76 H GLU 76 -10.206 -3.118 7.138 552 HA GLU 76 HA GLU 76 -8.173 -1.936 8.658 553 HB2 GLU 76 HB2 GLU 76 -8.971 -3.423 10.500 554 HB3 GLU 76 HB3 GLU 76 -10.258 -2.509 9.698 555 HG2 GLU 76 HG2 GLU 76 -10.715 -4.553 8.305 556 HG3 GLU 76 HG3 GLU 76 -9.603 -5.422 9.373 557 H GLU 77 H GLU 77 -8.578 -5.300 7.584 558 HA GLU 77 HA GLU 77 -6.283 -6.339 8.809 559 HB2 GLU 77 HB2 GLU 77 -8.277 -7.523 7.607 560 HB3 GLU 77 HB3 GLU 77 -7.256 -7.373 6.169 561 HG2 GLU 77 HG2 GLU 77 -6.993 -9.554 7.215 562 HG3 GLU 77 HG3 GLU 77 -5.487 -8.625 7.257 563 H ILE 78 H ILE 78 -6.760 -4.924 5.598 564 HA ILE 78 HA ILE 78 -4.132 -5.393 4.661 565 HB ILE 78 HB ILE 78 -6.035 -3.213 3.794 566 HG12 ILE 78 HG12 ILE 78 -5.654 -5.947 2.560 567 HG13 ILE 78 HG13 ILE 78 -6.936 -5.584 3.727 568 HG21 ILE 78 HG21 ILE 78 -4.769 -3.514 1.616 569 HG22 ILE 78 HG22 ILE 78 -3.901 -2.719 2.928 570 HG23 ILE 78 HG23 ILE 78 -3.574 -4.412 2.552 571 HD11 ILE 78 HD11 ILE 78 -8.229 -4.784 2.127 572 HD12 ILE 78 HD12 ILE 78 -6.987 -3.625 1.655 573 HD13 ILE 78 HD13 ILE 78 -7.002 -5.239 0.945 574 H ASN 79 H ASN 79 -5.666 -2.517 6.089 575 HA ASN 79 HA ASN 79 -3.490 -0.791 5.960 576 HB2 ASN 79 HB2 ASN 79 -5.048 0.558 6.814 577 HB3 ASN 79 HB3 ASN 79 -6.056 -0.834 7.230 578 HD21 ASN 79 HD21 ASN 79 -6.056 -1.631 9.302 579 HD22 ASN 79 HD22 ASN 79 -5.323 -0.800 10.627 580 H GLU 80 H GLU 80 -4.378 -3.121 8.480 581 HA GLU 80 HA GLU 80 -2.154 -2.455 10.158 582 HB2 GLU 80 HB2 GLU 80 -2.865 -4.242 11.568 583 HB3 GLU 80 HB3 GLU 80 -4.322 -3.432 10.969 584 HG2 GLU 80 HG2 GLU 80 -4.743 -5.178 9.388 585 HG3 GLU 80 HG3 GLU 80 -3.191 -5.942 9.761 586 H GLU 81 H GLU 81 -2.742 -4.701 7.567 587 HA GLU 81 HA GLU 81 -0.629 -6.499 8.056 588 HB2 GLU 81 HB2 GLU 81 -2.461 -6.989 6.503 589 HB3 GLU 81 HB3 GLU 81 -1.892 -5.706 5.427 590 HG2 GLU 81 HG2 GLU 81 -1.225 -7.894 4.606 591 HG3 GLU 81 HG3 GLU 81 0.181 -6.915 5.046 592 H LEU 82 H LEU 82 -0.802 -3.679 5.884 593 HA LEU 82 HA LEU 82 2.036 -3.805 5.359 594 HB2 LEU 82 HB2 LEU 82 0.062 -1.648 4.600 595 HB3 LEU 82 HB3 LEU 82 1.673 -1.912 3.916 596 HG LEU 82 HG LEU 82 0.264 -4.305 3.502 597 HD11 LEU 82 HD11 LEU 82 -1.885 -3.760 3.389 598 HD12 LEU 82 HD12 LEU 82 -1.488 -2.767 1.986 599 HD13 LEU 82 HD13 LEU 82 -1.528 -2.046 3.595 600 HD21 LEU 82 HD21 LEU 82 1.678 -3.863 1.803 601 HD22 LEU 82 HD22 LEU 82 1.447 -2.118 1.922 602 HD23 LEU 82 HD23 LEU 82 0.253 -3.112 1.085 603 H GLY 83 H GLY 83 -0.139 -2.042 7.435 604 HA2 GLY 83 HA2 GLY 83 0.498 -0.932 9.403 605 HA3 GLY 83 HA3 GLY 83 2.157 -0.902 8.824 606 H ILE 84 H ILE 84 -0.632 0.173 6.972 607 HA ILE 84 HA ILE 84 0.519 2.877 6.961 608 HB ILE 84 HB ILE 84 -0.761 3.263 4.912 609 HG12 ILE 84 HG12 ILE 84 -1.597 0.368 5.230 610 HG13 ILE 84 HG13 ILE 84 -2.659 1.778 5.390 611 HG21 ILE 84 HG21 ILE 84 0.439 0.809 4.015 612 HG22 ILE 84 HG22 ILE 84 0.972 2.472 3.771 613 HG23 ILE 84 HG23 ILE 84 1.462 1.594 5.220 614 HD11 ILE 84 HD11 ILE 84 -2.088 0.310 3.066 615 HD12 ILE 84 HD12 ILE 84 -3.065 1.770 3.220 616 HD13 ILE 84 HD13 ILE 84 -1.343 1.894 2.863 617 H GLY 85 H GLY 85 -1.470 4.473 6.257 618 HA2 GLY 85 HA2 GLY 85 -3.475 4.120 8.401 619 HA3 GLY 85 HA3 GLY 85 -2.810 5.679 7.939 620 H GLN 86 H GLN 86 -4.684 2.949 6.658 621 HA GLN 86 HA GLN 86 -5.660 4.278 4.379 622 HB2 GLN 86 HB2 GLN 86 -6.252 1.797 5.843 623 HB3 GLN 86 HB3 GLN 86 -7.632 2.476 4.966 624 HG2 GLN 86 HG2 GLN 86 -6.609 2.252 2.892 625 HG3 GLN 86 HG3 GLN 86 -4.995 2.127 3.605 626 HE21 GLN 86 HE21 GLN 86 -4.477 0.222 2.597 627 HE22 GLN 86 HE22 GLN 86 -5.220 -1.287 2.992 628 H ASP 87 H ASP 87 -7.472 5.477 3.995 629 HA ASP 87 HA ASP 87 -8.681 6.742 6.306 630 HB2 ASP 87 HB2 ASP 87 -8.802 7.242 3.333 631 HB3 ASP 87 HB3 ASP 87 -9.881 8.076 4.457 632 H GLU 88 H GLU 88 -9.540 4.362 6.660 633 HA GLU 88 HA GLU 88 -11.887 3.673 5.156 634 HB2 GLU 88 HB2 GLU 88 -12.158 1.871 6.813 635 HB3 GLU 88 HB3 GLU 88 -10.523 1.917 6.137 636 HG2 GLU 88 HG2 GLU 88 -10.153 3.467 8.302 637 HG3 GLU 88 HG3 GLU 88 -11.451 2.418 8.888 638 H ALA 89 H ALA 89 -11.215 5.125 8.303 639 HA ALA 89 HA ALA 89 -13.603 6.609 8.350 640 HB1 ALA 89 HB1 ALA 89 -15.107 5.368 9.446 641 HB2 ALA 89 HB2 ALA 89 -14.113 3.993 8.965 642 HB3 ALA 89 HB3 ALA 89 -13.901 4.720 10.558 643 H ASP 90 H ASP 90 -14.064 7.041 10.970 644 HA ASP 90 HA ASP 90 -11.448 7.974 11.940 645 HB2 ASP 90 HB2 ASP 90 -14.144 9.163 11.866 646 HB3 ASP 90 HB3 ASP 90 -13.288 9.377 13.399 647 H ALA 91 H ALA 91 -14.605 6.919 13.224 648 HA ALA 91 HA ALA 91 -15.164 5.651 15.031 649 HB1 ALA 91 HB1 ALA 91 -12.304 4.706 15.021 650 HB2 ALA 91 HB2 ALA 91 -13.705 3.887 15.711 651 HB3 ALA 91 HB3 ALA 91 -13.559 4.063 13.962 652 H TYR 92 H TYR 92 -13.647 8.340 15.216 653 HA TYR 92 HA TYR 92 -12.206 8.384 17.627 654 HB2 TYR 92 HB2 TYR 92 -13.485 10.391 15.855 655 HB3 TYR 92 HB3 TYR 92 -13.189 10.898 17.519 656 HD1 TYR 92 HD1 TYR 92 -10.792 10.521 18.449 657 HD2 TYR 92 HD2 TYR 92 -11.746 10.553 14.303 658 HE1 TYR 92 HE1 TYR 92 -8.438 10.994 17.917 659 HE2 TYR 92 HE2 TYR 92 -9.394 11.025 13.759 660 HH TYR 92 HH TYR 92 -7.380 11.518 14.572 661 H ASP 93 H ASP 93 -12.849 8.154 19.656 662 HA ASP 93 HA ASP 93 -15.177 9.312 20.741 663 HB2 ASP 93 HB2 ASP 93 -15.782 7.019 19.350 664 HB3 ASP 93 HB3 ASP 93 -15.569 6.415 21.000 665 H CYS 94 H CYS 94 -12.405 9.137 21.342 666 HA CYS 94 HA CYS 94 -12.193 7.395 23.663 667 HB2 CYS 94 HB2 CYS 94 -10.364 8.541 21.812 668 HB3 CYS 94 HB3 CYS 94 -9.962 9.174 23.409 669 H ASP 95 H ASP 95 -11.317 8.320 25.710 670 HA ASP 95 HA ASP 95 -11.808 11.099 26.258 671 HB2 ASP 95 HB2 ASP 95 -13.557 10.769 27.929 672 HB3 ASP 95 HB3 ASP 95 -14.101 10.211 26.341 673 H ALA 96 H ALA 96 -9.658 9.109 26.475 674 HA ALA 96 HA ALA 96 -9.276 8.443 29.217 675 HB1 ALA 96 HB1 ALA 96 -8.130 7.615 26.917 676 HB2 ALA 96 HB2 ALA 96 -6.881 8.702 27.526 677 HB3 ALA 96 HB3 ALA 96 -7.436 7.350 28.515 678 H ALA 97 H ALA 97 -8.469 11.204 27.231 679 HA ALA 97 HA ALA 97 -6.517 12.405 28.825 680 HB1 ALA 97 HB1 ALA 97 -7.434 14.566 27.784 681 HB2 ALA 97 HB2 ALA 97 -6.796 13.327 26.702 682 HB3 ALA 97 HB3 ALA 97 -8.538 13.508 26.905 683 H LYS 98 H LYS 98 -9.988 12.271 29.170 684 HA LYS 98 HA LYS 98 -11.415 13.004 30.783 685 HB2 LYS 98 HB2 LYS 98 -8.844 12.541 32.224 686 HB3 LYS 98 HB3 LYS 98 -10.143 13.377 33.090 687 HG2 LYS 98 HG2 LYS 98 -10.495 10.710 31.729 688 HG3 LYS 98 HG3 LYS 98 -10.062 10.905 33.437 689 HD2 LYS 98 HD2 LYS 98 -12.121 11.883 33.983 690 HD3 LYS 98 HD3 LYS 98 -12.486 12.254 32.290 691 HE2 LYS 98 HE2 LYS 98 -12.758 9.878 31.795 692 HE3 LYS 98 HE3 LYS 98 -12.330 9.479 33.466 693 HZ1 LYS 98 HZ1 LYS 98 -14.590 11.289 32.942 694 HZ2 LYS 98 HZ2 LYS 98 -14.320 10.271 34.266 695 HZ3 LYS 98 HZ3 LYS 98 -14.804 9.618 32.781 696 H ARG 99 H ARG 99 -11.572 14.802 32.646 697 HA ARG 99 HA ARG 99 -10.114 17.216 32.037 698 HB2 ARG 99 HB2 ARG 99 -13.044 16.929 31.355 699 HB3 ARG 99 HB3 ARG 99 -12.249 18.496 31.566 700 HG2 ARG 99 HG2 ARG 99 -10.643 17.859 29.759 701 HG3 ARG 99 HG3 ARG 99 -11.636 16.417 29.482 702 HD2 ARG 99 HD2 ARG 99 -13.243 18.843 29.569 703 HD3 ARG 99 HD3 ARG 99 -11.986 18.913 28.326 704 HE ARG 99 HE ARG 99 -13.291 16.428 28.169 705 HH11 ARG 99 HH11 ARG 99 -13.865 19.810 27.573 706 HH12 ARG 99 HH12 ARG 99 -15.032 19.526 26.326 707 HH21 ARG 99 HH21 ARG 99 -14.826 16.041 26.528 708 HH22 ARG 99 HH22 ARG 99 -15.579 17.382 25.731 709 H GLY 100 H GLY 100 -13.010 15.882 33.620 710 HA2 GLY 100 HA2 GLY 100 -12.870 17.831 35.752 711 HA3 GLY 100 HA3 GLY 100 -14.015 16.504 35.622 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -34.213 17.572 -1.093 2 HA2 GLY 1 HA2 GLY 1 -32.653 16.741 1.127 3 HA3 GLY 1 HA3 GLY 1 -32.736 15.455 -0.067 4 H SER 2 H SER 2 -30.297 16.306 0.419 5 HA SER 2 HA SER 2 -29.478 17.450 -2.080 6 HB2 SER 2 HB2 SER 2 -29.845 19.200 0.165 7 HB3 SER 2 HB3 SER 2 -28.117 19.097 -0.210 8 HG SER 2 HG SER 2 -29.649 20.663 -1.402 9 H ARG 3 H ARG 3 -27.152 17.399 -2.368 10 HA ARG 3 HA ARG 3 -25.413 16.327 -0.400 11 HB2 ARG 3 HB2 ARG 3 -25.010 14.124 -1.380 12 HB3 ARG 3 HB3 ARG 3 -26.688 14.282 -0.838 13 HG2 ARG 3 HG2 ARG 3 -26.902 15.083 -3.430 14 HG3 ARG 3 HG3 ARG 3 -25.611 13.872 -3.530 15 HD2 ARG 3 HD2 ARG 3 -28.309 13.427 -2.232 16 HD3 ARG 3 HD3 ARG 3 -27.862 12.909 -3.862 17 HE ARG 3 HE ARG 3 -26.060 11.928 -1.868 18 HH11 ARG 3 HH11 ARG 3 -29.128 11.386 -3.422 19 HH12 ARG 3 HH12 ARG 3 -29.139 9.684 -3.096 20 HH21 ARG 3 HH21 ARG 3 -26.064 9.689 -1.433 21 HH22 ARG 3 HH22 ARG 3 -27.397 8.721 -1.964 22 H ARG 4 H ARG 4 -23.271 16.391 -1.042 23 HA ARG 4 HA ARG 4 -22.649 16.923 -3.838 24 HB2 ARG 4 HB2 ARG 4 -22.970 19.024 -2.018 25 HB3 ARG 4 HB3 ARG 4 -21.220 18.801 -2.157 26 HG2 ARG 4 HG2 ARG 4 -21.224 19.225 -4.471 27 HG3 ARG 4 HG3 ARG 4 -22.984 19.041 -4.572 28 HD2 ARG 4 HD2 ARG 4 -23.156 21.255 -4.361 29 HD3 ARG 4 HD3 ARG 4 -22.590 21.061 -2.696 30 HE ARG 4 HE ARG 4 -20.551 21.910 -3.313 31 HH11 ARG 4 HH11 ARG 4 -22.379 21.097 -6.162 32 HH12 ARG 4 HH12 ARG 4 -21.266 21.854 -7.252 33 HH21 ARG 4 HH21 ARG 4 -19.077 22.910 -4.739 34 HH22 ARG 4 HH22 ARG 4 -19.387 22.884 -6.442 35 H ALA 5 H ALA 5 -21.335 15.194 -4.075 36 HA ALA 5 HA ALA 5 -19.129 14.870 -2.151 37 HB1 ALA 5 HB1 ALA 5 -20.189 12.836 -2.115 38 HB2 ALA 5 HB2 ALA 5 -20.667 12.930 -3.811 39 HB3 ALA 5 HB3 ALA 5 -18.995 12.560 -3.383 40 H SER 6 H SER 6 -17.025 14.751 -2.859 41 HA SER 6 HA SER 6 -16.306 14.615 -5.614 42 HB2 SER 6 HB2 SER 6 -15.170 17.115 -4.964 43 HB3 SER 6 HB3 SER 6 -16.424 16.782 -6.171 44 HG SER 6 HG SER 6 -17.490 18.116 -4.895 45 H VAL 7 H VAL 7 -13.953 14.834 -5.930 46 HA VAL 7 HA VAL 7 -12.324 14.757 -3.519 47 HB VAL 7 HB VAL 7 -12.390 12.439 -5.456 48 HG11 VAL 7 HG11 VAL 7 -10.186 12.453 -4.864 49 HG12 VAL 7 HG12 VAL 7 -10.490 13.257 -3.323 50 HG13 VAL 7 HG13 VAL 7 -10.844 11.539 -3.507 51 HG21 VAL 7 HG21 VAL 7 -13.243 12.668 -2.573 52 HG22 VAL 7 HG22 VAL 7 -14.271 12.329 -3.966 53 HG23 VAL 7 HG23 VAL 7 -13.074 11.144 -3.443 54 H GLY 8 H GLY 8 -10.234 15.397 -3.848 55 HA2 GLY 8 HA2 GLY 8 -9.643 16.826 -6.222 56 HA3 GLY 8 HA3 GLY 8 -8.518 16.490 -4.915 57 H SER 9 H SER 9 -7.173 16.419 -7.021 58 HA SER 9 HA SER 9 -6.549 13.665 -7.508 59 HB2 SER 9 HB2 SER 9 -7.929 15.312 -9.608 60 HB3 SER 9 HB3 SER 9 -6.720 14.109 -10.093 61 HG SER 9 HG SER 9 -9.141 13.684 -8.692 62 H GLU 10 H GLU 10 -4.436 13.432 -7.980 63 HA GLU 10 HA GLU 10 -2.948 15.712 -9.052 64 HB2 GLU 10 HB2 GLU 10 -1.235 15.582 -7.358 65 HB3 GLU 10 HB3 GLU 10 -2.806 15.825 -6.576 66 HG2 GLU 10 HG2 GLU 10 -2.431 13.041 -6.740 67 HG3 GLU 10 HG3 GLU 10 -0.898 13.732 -6.190 68 H PHE 11 H PHE 11 -0.433 14.808 -9.010 69 HA PHE 11 HA PHE 11 -0.280 13.030 -11.128 70 HB2 PHE 11 HB2 PHE 11 1.856 13.432 -9.019 71 HB3 PHE 11 HB3 PHE 11 2.097 12.900 -10.685 72 HD1 PHE 11 HD1 PHE 11 0.945 14.606 -12.462 73 HD2 PHE 11 HD2 PHE 11 2.458 15.612 -8.614 74 HE1 PHE 11 HE1 PHE 11 1.246 16.936 -13.193 75 HE2 PHE 11 HE2 PHE 11 2.761 17.943 -9.339 76 HZ PHE 11 HZ PHE 11 2.154 18.608 -11.630 77 H MET 12 H MET 12 -0.260 10.870 -11.344 78 HA MET 12 HA MET 12 0.294 9.139 -9.095 79 HB2 MET 12 HB2 MET 12 -1.795 8.029 -8.999 80 HB3 MET 12 HB3 MET 12 -2.157 9.760 -8.932 81 HG2 MET 12 HG2 MET 12 -2.190 9.088 -11.658 82 HG3 MET 12 HG3 MET 12 -3.037 7.786 -10.818 83 HE1 MET 12 HE1 MET 12 -6.083 9.000 -11.768 84 HE2 MET 12 HE2 MET 12 -5.213 10.197 -12.727 85 HE3 MET 12 HE3 MET 12 -4.572 8.562 -12.565 86 H VAL 13 H VAL 13 1.212 9.766 -11.895 87 HA VAL 13 HA VAL 13 1.057 7.021 -12.961 88 HB VAL 13 HB VAL 13 1.515 8.060 -15.213 89 HG11 VAL 13 HG11 VAL 13 -0.682 7.249 -14.700 90 HG12 VAL 13 HG12 VAL 13 -1.062 8.713 -13.791 91 HG13 VAL 13 HG13 VAL 13 -0.843 8.791 -15.539 92 HG21 VAL 13 HG21 VAL 13 1.057 10.403 -15.538 93 HG22 VAL 13 HG22 VAL 13 0.676 10.606 -13.828 94 HG23 VAL 13 HG23 VAL 13 2.326 10.230 -14.325 95 H VAL 14 H VAL 14 2.943 6.207 -14.004 96 HA VAL 14 HA VAL 14 5.172 5.718 -14.005 97 HB VAL 14 HB VAL 14 5.695 8.670 -14.190 98 HG11 VAL 14 HG11 VAL 14 7.722 7.615 -14.315 99 HG12 VAL 14 HG12 VAL 14 7.045 6.162 -15.054 100 HG13 VAL 14 HG13 VAL 14 7.269 7.621 -16.020 101 HG21 VAL 14 HG21 VAL 14 5.362 8.136 -16.746 102 HG22 VAL 14 HG22 VAL 14 4.253 6.916 -16.117 103 HG23 VAL 14 HG23 VAL 14 4.002 8.619 -15.734 104 H ASP 15 H ASP 15 4.193 5.777 -11.455 105 HA ASP 15 HA ASP 15 6.567 6.554 -9.966 106 HB2 ASP 15 HB2 ASP 15 5.320 7.736 -8.228 107 HB3 ASP 15 HB3 ASP 15 5.107 8.528 -9.796 108 H VAL 16 H VAL 16 6.693 5.550 -7.864 109 HA VAL 16 HA VAL 16 5.308 2.981 -7.827 110 HB VAL 16 HB VAL 16 7.464 3.805 -5.903 111 HG11 VAL 16 HG11 VAL 16 7.450 1.666 -5.269 112 HG12 VAL 16 HG12 VAL 16 5.925 1.529 -6.144 113 HG13 VAL 16 HG13 VAL 16 7.439 1.087 -6.934 114 HG21 VAL 16 HG21 VAL 16 8.982 2.577 -7.612 115 HG22 VAL 16 HG22 VAL 16 7.732 3.016 -8.777 116 HG23 VAL 16 HG23 VAL 16 8.580 4.274 -7.879 117 H THR 17 H THR 17 4.176 5.679 -6.961 118 HA THR 17 HA THR 17 2.860 6.542 -5.308 119 HB THR 17 HB THR 17 1.282 5.090 -4.343 120 HG1 THR 17 HG1 THR 17 1.716 3.036 -3.757 121 HG21 THR 17 HG21 THR 17 0.415 4.272 -6.246 122 HG22 THR 17 HG22 THR 17 1.798 3.213 -6.523 123 HG23 THR 17 HG23 THR 17 1.867 4.903 -7.021 124 H ILE 18 H ILE 18 2.269 5.907 -2.751 125 HA ILE 18 HA ILE 18 4.895 6.062 -1.439 126 HB ILE 18 HB ILE 18 2.267 6.883 -0.221 127 HG12 ILE 18 HG12 ILE 18 3.370 9.248 -0.812 128 HG13 ILE 18 HG13 ILE 18 4.012 8.305 -2.168 129 HG21 ILE 18 HG21 ILE 18 5.156 7.270 0.455 130 HG22 ILE 18 HG22 ILE 18 3.938 8.403 1.040 131 HG23 ILE 18 HG23 ILE 18 3.837 6.697 1.476 132 HD11 ILE 18 HD11 ILE 18 1.826 9.535 -2.548 133 HD12 ILE 18 HD12 ILE 18 1.881 7.833 -3.007 134 HD13 ILE 18 HD13 ILE 18 1.089 8.318 -1.508 135 H GLU 19 H GLU 19 5.182 5.022 0.620 136 HA GLU 19 HA GLU 19 5.220 3.123 1.884 137 HB2 GLU 19 HB2 GLU 19 2.220 3.453 1.647 138 HB3 GLU 19 HB3 GLU 19 3.057 2.471 2.859 139 HG2 GLU 19 HG2 GLU 19 4.189 5.041 3.020 140 HG3 GLU 19 HG3 GLU 19 2.437 5.262 2.905 141 H ASP 20 H ASP 20 6.114 1.940 0.050 142 HA ASP 20 HA ASP 20 4.309 -0.226 -0.772 143 HB2 ASP 20 HB2 ASP 20 5.071 1.718 -2.528 144 HB3 ASP 20 HB3 ASP 20 6.358 0.526 -2.756 145 H SER 21 H SER 21 5.383 -2.218 -1.307 146 HA SER 21 HA SER 21 6.874 -3.894 -0.922 147 HB2 SER 21 HB2 SER 21 8.446 -1.626 -1.760 148 HB3 SER 21 HB3 SER 21 9.345 -2.570 -0.559 149 HG SER 21 HG SER 21 9.684 -3.348 -2.687 150 H TYR 22 H TYR 22 6.346 -4.682 1.041 151 HA TYR 22 HA TYR 22 8.000 -3.871 3.289 152 HB2 TYR 22 HB2 TYR 22 5.035 -3.492 3.157 153 HB3 TYR 22 HB3 TYR 22 5.757 -3.972 4.695 154 HD1 TYR 22 HD2 TYR 22 5.500 -1.283 2.224 155 HD2 TYR 22 HD1 TYR 22 7.218 -2.474 5.929 156 HE1 TYR 22 HE2 TYR 22 6.100 1.056 2.690 157 HE2 TYR 22 HE1 TYR 22 7.822 -0.138 6.408 158 HH TYR 22 HH TYR 22 7.141 2.108 5.761 159 H SER 23 H SER 23 5.379 -5.969 2.143 160 HA SER 23 HA SER 23 5.653 -7.983 4.075 161 HB2 SER 23 HB2 SER 23 4.122 -7.549 1.713 162 HB3 SER 23 HB3 SER 23 4.876 -9.146 1.578 163 HG SER 23 HG SER 23 3.276 -8.204 3.724 164 H THR 24 H THR 24 6.175 -10.350 3.161 165 HA THR 24 HA THR 24 9.015 -10.282 2.586 166 HB THR 24 HB THR 24 8.777 -12.821 2.820 167 HG1 THR 24 HG1 THR 24 6.849 -13.606 3.261 168 HG21 THR 24 HG21 THR 24 8.616 -10.724 4.848 169 HG22 THR 24 HG22 THR 24 9.663 -12.142 4.767 170 HG23 THR 24 HG23 THR 24 8.029 -12.287 5.412 171 H GLU 25 H GLU 25 6.490 -12.450 1.321 172 HA GLU 25 HA GLU 25 7.807 -12.318 -1.300 173 HB2 GLU 25 HB2 GLU 25 5.890 -14.349 -0.135 174 HB3 GLU 25 HB3 GLU 25 6.521 -14.400 -1.789 175 HG2 GLU 25 HG2 GLU 25 8.813 -14.190 -0.294 176 HG3 GLU 25 HG3 GLU 25 7.770 -15.200 0.717 177 H SER 26 H SER 26 4.460 -12.895 -0.219 178 HA SER 26 HA SER 26 3.207 -11.994 -2.519 179 HB2 SER 26 HB2 SER 26 2.104 -11.738 0.295 180 HB3 SER 26 HB3 SER 26 1.177 -11.853 -1.212 181 HG SER 26 HG SER 26 1.652 -13.956 -1.379 182 H ALA 27 H ALA 27 2.427 -10.051 -3.236 183 HA ALA 27 HA ALA 27 3.249 -7.668 -1.705 184 HB1 ALA 27 HB1 ALA 27 4.576 -7.222 -3.442 185 HB2 ALA 27 HB2 ALA 27 3.799 -8.438 -4.457 186 HB3 ALA 27 HB3 ALA 27 3.098 -6.824 -4.319 187 H TRP 28 H TRP 28 1.964 -5.720 -2.139 188 HA TRP 28 HA TRP 28 -0.863 -6.422 -2.467 189 HB2 TRP 28 HB2 TRP 28 0.608 -4.270 -0.996 190 HB3 TRP 28 HB3 TRP 28 -1.040 -3.947 -1.534 191 HD1 TRP 28 HD1 TRP 28 0.778 -5.414 1.305 192 HE1 TRP 28 HE1 TRP 28 -0.827 -6.697 2.856 193 HE3 TRP 28 HE3 TRP 28 -3.304 -5.643 -1.763 194 HZ2 TRP 28 HZ2 TRP 28 -3.474 -7.676 2.787 195 HZ3 TRP 28 HZ3 TRP 28 -5.333 -6.770 -0.945 196 HH2 TRP 28 HH2 TRP 28 -5.414 -7.765 1.283 197 H VAL 29 H VAL 29 -2.066 -5.668 -4.106 198 HA VAL 29 HA VAL 29 -0.976 -3.507 -5.775 199 HB VAL 29 HB VAL 29 -1.888 -4.741 -7.784 200 HG11 VAL 29 HG11 VAL 29 0.360 -6.183 -6.394 201 HG12 VAL 29 HG12 VAL 29 0.115 -5.970 -8.129 202 HG13 VAL 29 HG13 VAL 29 0.534 -4.585 -7.119 203 HG21 VAL 29 HG21 VAL 29 -1.791 -7.123 -5.938 204 HG22 VAL 29 HG22 VAL 29 -3.278 -6.326 -6.452 205 HG23 VAL 29 HG23 VAL 29 -2.241 -7.111 -7.643 206 H ARG 30 H ARG 30 -2.487 -2.175 -6.761 207 HA ARG 30 HA ARG 30 -5.240 -2.491 -5.772 208 HB2 ARG 30 HB2 ARG 30 -4.004 -0.482 -4.987 209 HB3 ARG 30 HB3 ARG 30 -3.853 0.038 -6.672 210 HG2 ARG 30 HG2 ARG 30 -6.570 -0.425 -6.369 211 HG3 ARG 30 HG3 ARG 30 -6.075 0.328 -4.843 212 HD2 ARG 30 HD2 ARG 30 -6.733 2.060 -6.389 213 HD3 ARG 30 HD3 ARG 30 -4.986 2.140 -6.128 214 HE ARG 30 HE ARG 30 -5.763 0.585 -8.425 215 HH11 ARG 30 HH11 ARG 30 -4.956 3.751 -7.225 216 HH12 ARG 30 HH12 ARG 30 -4.481 4.362 -8.776 217 HH21 ARG 30 HH21 ARG 30 -5.140 1.376 -10.472 218 HH22 ARG 30 HH22 ARG 30 -4.587 3.010 -10.622 219 H CYS 31 H CYS 31 -6.966 -2.316 -7.159 220 HA CYS 31 HA CYS 31 -6.445 -2.909 -9.915 221 HB2 CYS 31 HB2 CYS 31 -8.311 -3.933 -8.646 222 HB3 CYS 31 HB3 CYS 31 -9.078 -2.348 -8.535 223 H ASP 32 H ASP 32 -6.637 -1.622 -11.672 224 HA ASP 32 HA ASP 32 -6.954 1.241 -11.175 225 HB2 ASP 32 HB2 ASP 32 -5.030 0.028 -12.544 226 HB3 ASP 32 HB3 ASP 32 -6.209 0.160 -13.856 227 H ASP 33 H ASP 33 -9.255 -0.540 -11.189 228 HA ASP 33 HA ASP 33 -10.774 0.785 -13.321 229 HB2 ASP 33 HB2 ASP 33 -10.106 -1.761 -13.687 230 HB3 ASP 33 HB3 ASP 33 -11.495 -2.026 -12.625 231 H CYS 34 H CYS 34 -10.907 -1.080 -10.309 232 HA CYS 34 HA CYS 34 -13.356 0.399 -9.597 233 HB2 CYS 34 HB2 CYS 34 -13.984 -1.485 -8.176 234 HB3 CYS 34 HB3 CYS 34 -13.756 -2.012 -9.845 235 H PHE 35 H PHE 35 -10.104 0.006 -8.928 236 HA PHE 35 HA PHE 35 -8.730 0.769 -7.286 237 HB2 PHE 35 HB2 PHE 35 -11.173 2.297 -6.349 238 HB3 PHE 35 HB3 PHE 35 -9.496 2.640 -5.916 239 HD1 PHE 35 HD2 PHE 35 -11.991 2.827 -8.587 240 HD2 PHE 35 HD1 PHE 35 -7.993 3.731 -7.443 241 HE1 PHE 35 HE2 PHE 35 -11.776 4.319 -10.531 242 HE2 PHE 35 HE1 PHE 35 -7.771 5.225 -9.384 243 HZ PHE 35 HZ PHE 35 -9.664 5.520 -10.933 244 H LYS 36 H LYS 36 -8.850 -1.501 -6.540 245 HA LYS 36 HA LYS 36 -9.748 -1.571 -3.757 246 HB2 LYS 36 HB2 LYS 36 -11.104 -2.908 -5.821 247 HB3 LYS 36 HB3 LYS 36 -10.157 -4.152 -4.991 248 HG2 LYS 36 HG2 LYS 36 -12.325 -4.062 -3.987 249 HG3 LYS 36 HG3 LYS 36 -11.143 -3.403 -2.841 250 HD2 LYS 36 HD2 LYS 36 -11.763 -1.123 -3.471 251 HD3 LYS 36 HD3 LYS 36 -12.922 -1.766 -4.650 252 HE2 LYS 36 HE2 LYS 36 -14.144 -2.886 -2.803 253 HE3 LYS 36 HE3 LYS 36 -13.019 -2.141 -1.657 254 HZ1 LYS 36 HZ1 LYS 36 -14.638 -0.532 -3.544 255 HZ2 LYS 36 HZ2 LYS 36 -13.820 -0.007 -2.160 256 HZ3 LYS 36 HZ3 LYS 36 -15.205 -0.966 -2.010 257 H TRP 37 H TRP 37 -8.574 -2.984 -2.423 258 HA TRP 37 HA TRP 37 -5.874 -3.428 -3.269 259 HB2 TRP 37 HB2 TRP 37 -7.417 -3.710 -0.735 260 HB3 TRP 37 HB3 TRP 37 -5.944 -4.668 -0.891 261 HD1 TRP 37 HD1 TRP 37 -6.800 -1.673 0.707 262 HE1 TRP 37 HE1 TRP 37 -4.891 0.052 0.756 263 HE3 TRP 37 HE3 TRP 37 -3.835 -3.638 -2.965 264 HZ2 TRP 37 HZ2 TRP 37 -2.450 0.518 -0.584 265 HZ3 TRP 37 HZ3 TRP 37 -1.731 -2.491 -3.522 266 HH2 TRP 37 HH2 TRP 37 -1.055 -0.456 -2.355 267 H ARG 38 H ARG 38 -4.804 -5.359 -3.596 268 HA ARG 38 HA ARG 38 -6.286 -7.857 -3.428 269 HB2 ARG 38 HB2 ARG 38 -6.175 -6.466 -5.841 270 HB3 ARG 38 HB3 ARG 38 -4.916 -7.702 -5.985 271 HG2 ARG 38 HG2 ARG 38 -7.595 -8.533 -4.981 272 HG3 ARG 38 HG3 ARG 38 -7.400 -8.180 -6.706 273 HD2 ARG 38 HD2 ARG 38 -6.047 -9.978 -7.079 274 HD3 ARG 38 HD3 ARG 38 -5.341 -9.902 -5.459 275 HE ARG 38 HE ARG 38 -8.106 -10.726 -5.515 276 HH11 ARG 38 HH11 ARG 38 -4.778 -11.745 -5.640 277 HH12 ARG 38 HH12 ARG 38 -5.118 -13.359 -5.109 278 HH21 ARG 38 HH21 ARG 38 -8.564 -12.847 -4.815 279 HH22 ARG 38 HH22 ARG 38 -7.271 -13.986 -4.641 280 H ARG 39 H ARG 39 -5.003 -9.367 -2.605 281 HA ARG 39 HA ARG 39 -2.146 -8.888 -2.445 282 HB2 ARG 39 HB2 ARG 39 -3.755 -9.796 -0.584 283 HB3 ARG 39 HB3 ARG 39 -3.480 -11.349 -1.383 284 HG2 ARG 39 HG2 ARG 39 -0.929 -10.430 -1.139 285 HG3 ARG 39 HG3 ARG 39 -1.696 -9.767 0.314 286 HD2 ARG 39 HD2 ARG 39 -2.658 -12.162 0.620 287 HD3 ARG 39 HD3 ARG 39 -1.379 -12.628 -0.509 288 HE ARG 39 HE ARG 39 -0.397 -11.045 1.661 289 HH11 ARG 39 HH11 ARG 39 -1.312 -14.263 0.696 290 HH12 ARG 39 HH12 ARG 39 -0.300 -15.043 1.865 291 HH21 ARG 39 HH21 ARG 39 0.941 -12.060 3.205 292 HH22 ARG 39 HH22 ARG 39 0.982 -13.789 3.292 293 H ILE 40 H ILE 40 -0.765 -9.641 -3.896 294 HA ILE 40 HA ILE 40 -1.450 -12.115 -5.344 295 HB ILE 40 HB ILE 40 -0.467 -11.287 -7.343 296 HG12 ILE 40 HG12 ILE 40 0.382 -8.901 -5.684 297 HG13 ILE 40 HG13 ILE 40 1.441 -10.109 -6.433 298 HG21 ILE 40 HG21 ILE 40 -1.878 -9.382 -7.876 299 HG22 ILE 40 HG22 ILE 40 -2.763 -10.551 -6.896 300 HG23 ILE 40 HG23 ILE 40 -2.139 -9.075 -6.158 301 HD11 ILE 40 HD11 ILE 40 0.594 -9.349 -8.661 302 HD12 ILE 40 HD12 ILE 40 -0.206 -8.018 -7.822 303 HD13 ILE 40 HD13 ILE 40 1.550 -8.164 -7.773 304 HA PRO 41 HA PRO 41 2.402 -13.777 -4.046 305 HB2 PRO 41 HB2 PRO 41 3.004 -15.409 -6.163 306 HB3 PRO 41 HB3 PRO 41 1.727 -15.757 -4.997 307 HG2 PRO 41 HG2 PRO 41 1.533 -14.493 -7.711 308 HG3 PRO 41 HG3 PRO 41 0.506 -15.782 -6.976 309 HD2 PRO 41 HD2 PRO 41 -0.274 -13.187 -7.115 310 HD3 PRO 41 HD3 PRO 41 -0.724 -14.250 -5.771 311 H ALA 42 H ALA 42 4.666 -13.742 -4.421 312 HA ALA 42 HA ALA 42 5.601 -11.433 -5.775 313 HB1 ALA 42 HB1 ALA 42 7.509 -13.578 -5.019 314 HB2 ALA 42 HB2 ALA 42 7.607 -11.834 -4.774 315 HB3 ALA 42 HB3 ALA 42 6.573 -12.814 -3.734 316 H SER 43 H SER 43 4.841 -14.517 -6.888 317 HA SER 43 HA SER 43 6.833 -14.727 -8.943 318 HB2 SER 43 HB2 SER 43 4.199 -16.168 -9.075 319 HB3 SER 43 HB3 SER 43 5.815 -16.734 -9.530 320 HG SER 43 HG SER 43 5.797 -17.646 -7.639 321 H VAL 44 H VAL 44 3.535 -13.525 -8.723 322 HA VAL 44 HA VAL 44 3.472 -12.931 -11.578 323 HB VAL 44 HB VAL 44 1.460 -13.860 -10.411 324 HG11 VAL 44 HG11 VAL 44 0.100 -12.339 -9.057 325 HG12 VAL 44 HG12 VAL 44 1.670 -12.641 -8.311 326 HG13 VAL 44 HG13 VAL 44 1.370 -11.119 -9.152 327 HG21 VAL 44 HG21 VAL 44 0.470 -11.275 -11.356 328 HG22 VAL 44 HG22 VAL 44 1.628 -12.040 -12.445 329 HG23 VAL 44 HG23 VAL 44 0.164 -12.900 -11.968 330 H VAL 45 H VAL 45 3.766 -11.322 -8.485 331 HA VAL 45 HA VAL 45 3.247 -8.688 -9.232 332 HB VAL 45 HB VAL 45 3.819 -9.754 -6.892 333 HG11 VAL 45 HG11 VAL 45 6.018 -9.413 -6.110 334 HG12 VAL 45 HG12 VAL 45 6.187 -10.226 -7.667 335 HG13 VAL 45 HG13 VAL 45 6.468 -8.488 -7.543 336 HG21 VAL 45 HG21 VAL 45 3.808 -7.058 -7.943 337 HG22 VAL 45 HG22 VAL 45 3.128 -7.684 -6.441 338 HG23 VAL 45 HG23 VAL 45 4.820 -7.193 -6.506 339 H GLY 46 H GLY 46 5.966 -10.721 -9.919 340 HA2 GLY 46 HA2 GLY 46 7.558 -8.428 -10.828 341 HA3 GLY 46 HA3 GLY 46 8.148 -10.069 -10.614 342 H SER 47 H SER 47 5.131 -9.590 -12.230 343 HA SER 47 HA SER 47 6.415 -9.830 -14.855 344 HB2 SER 47 HB2 SER 47 5.060 -11.949 -13.486 345 HB3 SER 47 HB3 SER 47 4.092 -11.473 -14.892 346 HG SER 47 HG SER 47 5.598 -12.192 -16.196 347 H ILE 48 H ILE 48 3.444 -9.281 -13.021 348 HA ILE 48 HA ILE 48 2.008 -8.183 -15.238 349 HB ILE 48 HB ILE 48 0.342 -7.487 -13.570 350 HG12 ILE 48 HG12 ILE 48 0.945 -8.549 -11.187 351 HG13 ILE 48 HG13 ILE 48 2.582 -8.124 -11.718 352 HG21 ILE 48 HG21 ILE 48 1.407 -10.292 -13.399 353 HG22 ILE 48 HG22 ILE 48 -0.098 -9.800 -12.625 354 HG23 ILE 48 HG23 ILE 48 0.072 -9.685 -14.376 355 HD11 ILE 48 HD11 ILE 48 1.180 -5.844 -12.283 356 HD12 ILE 48 HD12 ILE 48 0.427 -6.407 -10.790 357 HD13 ILE 48 HD13 ILE 48 2.166 -6.122 -10.847 358 H ASP 49 H ASP 49 4.371 -6.980 -13.109 359 HA ASP 49 HA ASP 49 3.547 -4.211 -13.288 360 HB2 ASP 49 HB2 ASP 49 4.919 -5.500 -11.395 361 HB3 ASP 49 HB3 ASP 49 6.284 -4.959 -12.380 362 H GLU 50 H GLU 50 3.672 -4.955 -15.806 363 HA GLU 50 HA GLU 50 6.317 -4.202 -16.833 364 HB2 GLU 50 HB2 GLU 50 5.498 -5.062 -19.008 365 HB3 GLU 50 HB3 GLU 50 5.484 -6.286 -17.729 366 HG2 GLU 50 HG2 GLU 50 3.342 -6.686 -18.090 367 HG3 GLU 50 HG3 GLU 50 2.960 -4.995 -17.731 368 H SER 51 H SER 51 3.167 -3.017 -16.362 369 HA SER 51 HA SER 51 3.804 -0.659 -17.993 370 HB2 SER 51 HB2 SER 51 2.077 -2.361 -19.016 371 HB3 SER 51 HB3 SER 51 0.968 -1.615 -17.851 372 HG SER 51 HG SER 51 0.789 -0.389 -19.651 373 H SER 52 H SER 52 3.432 -1.704 -15.019 374 HA SER 52 HA SER 52 2.955 -0.734 -13.017 375 HB2 SER 52 HB2 SER 52 3.618 1.408 -14.751 376 HB3 SER 52 HB3 SER 52 2.202 1.923 -13.817 377 HG SER 52 HG SER 52 4.671 1.915 -12.998 378 H ARG 53 H ARG 53 0.841 -1.769 -14.916 379 HA ARG 53 HA ARG 53 -1.460 -0.593 -13.505 380 HB2 ARG 53 HB2 ARG 53 -1.066 -1.089 -16.425 381 HB3 ARG 53 HB3 ARG 53 -2.683 -1.320 -15.741 382 HG2 ARG 53 HG2 ARG 53 -2.810 0.947 -15.026 383 HG3 ARG 53 HG3 ARG 53 -1.102 1.215 -15.406 384 HD2 ARG 53 HD2 ARG 53 -2.454 0.218 -17.740 385 HD3 ARG 53 HD3 ARG 53 -3.330 1.608 -17.083 386 HE ARG 53 HE ARG 53 -0.539 2.126 -17.221 387 HH11 ARG 53 HH11 ARG 53 -3.426 1.926 -19.156 388 HH12 ARG 53 HH12 ARG 53 -2.850 3.027 -20.363 389 HH21 ARG 53 HH21 ARG 53 0.230 3.578 -18.804 390 HH22 ARG 53 HH22 ARG 53 -0.771 3.966 -20.163 391 H TRP 54 H TRP 54 -2.967 -2.005 -12.742 392 HA TRP 54 HA TRP 54 -2.942 -4.783 -13.567 393 HB2 TRP 54 HB2 TRP 54 -1.167 -4.643 -11.824 394 HB3 TRP 54 HB3 TRP 54 -2.378 -4.048 -10.687 395 HD1 TRP 54 HD1 TRP 54 -1.051 -7.240 -12.173 396 HE1 TRP 54 HE1 TRP 54 -2.286 -9.249 -11.141 397 HE3 TRP 54 HE3 TRP 54 -4.787 -4.735 -9.744 398 HZ2 TRP 54 HZ2 TRP 54 -4.546 -9.710 -9.513 399 HZ3 TRP 54 HZ3 TRP 54 -6.445 -6.034 -8.472 400 HH2 TRP 54 HH2 TRP 54 -6.326 -8.470 -8.361 401 H ILE 55 H ILE 55 -4.841 -5.872 -13.084 402 HA ILE 55 HA ILE 55 -6.884 -4.408 -11.570 403 HB ILE 55 HB ILE 55 -8.552 -5.210 -13.348 404 HG12 ILE 55 HG12 ILE 55 -5.958 -5.347 -14.905 405 HG13 ILE 55 HG13 ILE 55 -7.078 -6.684 -14.592 406 HG21 ILE 55 HG21 ILE 55 -8.523 -3.132 -14.326 407 HG22 ILE 55 HG22 ILE 55 -7.548 -2.839 -12.886 408 HG23 ILE 55 HG23 ILE 55 -6.763 -3.093 -14.445 409 HD11 ILE 55 HD11 ILE 55 -7.871 -6.218 -16.625 410 HD12 ILE 55 HD12 ILE 55 -8.721 -4.903 -15.813 411 HD13 ILE 55 HD13 ILE 55 -7.189 -4.592 -16.629 412 H CYS 56 H CYS 56 -8.920 -5.884 -11.378 413 HA CYS 56 HA CYS 56 -8.158 -8.182 -9.940 414 HB2 CYS 56 HB2 CYS 56 -10.902 -7.585 -11.066 415 HB3 CYS 56 HB3 CYS 56 -10.520 -8.611 -9.680 416 H MET 57 H MET 57 -9.822 -7.876 -13.077 417 HA MET 57 HA MET 57 -9.959 -10.602 -13.666 418 HB2 MET 57 HB2 MET 57 -10.172 -9.882 -16.042 419 HB3 MET 57 HB3 MET 57 -11.251 -9.018 -14.936 420 HG2 MET 57 HG2 MET 57 -8.947 -7.455 -15.011 421 HG3 MET 57 HG3 MET 57 -9.191 -7.992 -16.675 422 HE1 MET 57 HE1 MET 57 -10.437 -6.126 -13.670 423 HE2 MET 57 HE2 MET 57 -11.881 -5.259 -14.193 424 HE3 MET 57 HE3 MET 57 -11.972 -6.980 -13.818 425 H ASN 58 H ASN 58 -7.285 -8.451 -13.682 426 HA ASN 58 HA ASN 58 -5.673 -10.016 -15.494 427 HB2 ASN 58 HB2 ASN 58 -5.370 -7.496 -13.961 428 HB3 ASN 58 HB3 ASN 58 -3.882 -8.404 -14.259 429 HD21 ASN 58 HD21 ASN 58 -6.757 -8.081 -16.284 430 HD22 ASN 58 HD22 ASN 58 -5.946 -7.362 -17.629 431 H ASN 59 H ASN 59 -6.596 -10.311 -12.291 432 HA ASN 59 HA ASN 59 -4.347 -11.130 -10.919 433 HB2 ASN 59 HB2 ASN 59 -6.648 -10.864 -9.967 434 HB3 ASN 59 HB3 ASN 59 -7.078 -12.413 -10.706 435 HD21 ASN 59 HD21 ASN 59 -7.560 -12.793 -8.356 436 HD22 ASN 59 HD22 ASN 59 -6.287 -13.464 -7.398 437 H SER 60 H SER 60 -3.168 -12.985 -10.752 438 HA SER 60 HA SER 60 -2.980 -14.667 -12.996 439 HB2 SER 60 HB2 SER 60 -1.556 -14.260 -10.541 440 HB3 SER 60 HB3 SER 60 -1.831 -15.997 -10.762 441 HG SER 60 HG SER 60 -0.201 -15.875 -12.079 442 H ASP 61 H ASP 61 -4.835 -14.890 -10.069 443 HA ASP 61 HA ASP 61 -5.392 -17.676 -10.198 444 HB2 ASP 61 HB2 ASP 61 -5.797 -15.696 -8.338 445 HB3 ASP 61 HB3 ASP 61 -7.437 -15.992 -8.931 446 H LYS 62 H LYS 62 -7.869 -18.298 -10.249 447 HA LYS 62 HA LYS 62 -9.102 -17.028 -12.601 448 HB2 LYS 62 HB2 LYS 62 -9.760 -19.202 -13.460 449 HB3 LYS 62 HB3 LYS 62 -8.001 -19.133 -13.266 450 HG2 LYS 62 HG2 LYS 62 -9.541 -20.215 -10.978 451 HG3 LYS 62 HG3 LYS 62 -9.478 -21.201 -12.450 452 HD2 LYS 62 HD2 LYS 62 -7.268 -21.651 -12.232 453 HD3 LYS 62 HD3 LYS 62 -6.908 -20.045 -11.576 454 HE2 LYS 62 HE2 LYS 62 -8.508 -21.302 -9.638 455 HE3 LYS 62 HE3 LYS 62 -7.358 -22.528 -10.186 456 HZ1 LYS 62 HZ1 LYS 62 -5.971 -20.119 -9.844 457 HZ2 LYS 62 HZ2 LYS 62 -5.796 -21.561 -8.978 458 HZ3 LYS 62 HZ3 LYS 62 -6.894 -20.387 -8.452 459 H ARG 63 H ARG 63 -9.416 -17.620 -9.426 460 HA ARG 63 HA ARG 63 -12.319 -18.079 -9.558 461 HB2 ARG 63 HB2 ARG 63 -10.384 -18.400 -7.253 462 HB3 ARG 63 HB3 ARG 63 -12.134 -18.640 -7.142 463 HG2 ARG 63 HG2 ARG 63 -10.197 -20.249 -8.807 464 HG3 ARG 63 HG3 ARG 63 -11.036 -20.772 -7.337 465 HD2 ARG 63 HD2 ARG 63 -13.059 -19.861 -9.052 466 HD3 ARG 63 HD3 ARG 63 -11.950 -20.787 -10.072 467 HE ARG 63 HE ARG 63 -12.396 -22.311 -7.801 468 HH11 ARG 63 HH11 ARG 63 -14.254 -21.018 -10.447 469 HH12 ARG 63 HH12 ARG 63 -15.420 -22.299 -10.424 470 HH21 ARG 63 HH21 ARG 63 -13.925 -24.004 -7.762 471 HH22 ARG 63 HH22 ARG 63 -15.232 -23.996 -8.896 472 H PHE 64 H PHE 64 -9.827 -15.892 -8.463 473 HA PHE 64 HA PHE 64 -11.923 -13.998 -7.621 474 HB2 PHE 64 HB2 PHE 64 -9.339 -14.758 -6.375 475 HB3 PHE 64 HB3 PHE 64 -9.734 -13.037 -6.358 476 HD1 PHE 64 HD1 PHE 64 -11.900 -16.045 -5.980 477 HD2 PHE 64 HD2 PHE 64 -10.391 -12.473 -4.225 478 HE1 PHE 64 HE1 PHE 64 -13.371 -16.383 -4.036 479 HE2 PHE 64 HE2 PHE 64 -11.858 -12.805 -2.278 480 HZ PHE 64 HZ PHE 64 -13.350 -14.763 -2.181 481 H ALA 65 H ALA 65 -10.633 -14.461 -10.269 482 HA ALA 65 HA ALA 65 -9.154 -11.963 -10.646 483 HB1 ALA 65 HB1 ALA 65 -8.487 -14.314 -11.584 484 HB2 ALA 65 HB2 ALA 65 -9.635 -13.903 -12.858 485 HB3 ALA 65 HB3 ALA 65 -8.243 -12.861 -12.553 486 H ASP 66 H ASP 66 -11.210 -10.783 -10.228 487 HA ASP 66 HA ASP 66 -12.292 -9.778 -12.608 488 HB2 ASP 66 HB2 ASP 66 -13.689 -12.090 -11.458 489 HB3 ASP 66 HB3 ASP 66 -14.732 -10.684 -11.708 490 H CYS 67 H CYS 67 -13.411 -7.893 -12.264 491 HA CYS 67 HA CYS 67 -13.100 -6.605 -9.795 492 HB2 CYS 67 HB2 CYS 67 -14.507 -6.008 -12.351 493 HB3 CYS 67 HB3 CYS 67 -14.971 -5.061 -10.935 494 H SER 68 H SER 68 -15.622 -8.627 -11.017 495 HA SER 68 HA SER 68 -17.709 -7.755 -9.301 496 HB2 SER 68 HB2 SER 68 -17.764 -9.256 -11.468 497 HB3 SER 68 HB3 SER 68 -17.566 -10.576 -10.301 498 HG SER 68 HG SER 68 -19.716 -8.828 -10.659 499 H LYS 69 H LYS 69 -14.901 -9.617 -8.785 500 HA LYS 69 HA LYS 69 -15.821 -11.246 -6.645 501 HB2 LYS 69 HB2 LYS 69 -12.995 -10.291 -7.152 502 HB3 LYS 69 HB3 LYS 69 -13.493 -11.719 -6.228 503 HG2 LYS 69 HG2 LYS 69 -14.066 -11.385 -9.169 504 HG3 LYS 69 HG3 LYS 69 -12.604 -12.162 -8.537 505 HD2 LYS 69 HD2 LYS 69 -13.942 -14.004 -8.813 506 HD3 LYS 69 HD3 LYS 69 -14.349 -13.566 -7.145 507 HE2 LYS 69 HE2 LYS 69 -16.063 -12.047 -8.794 508 HE3 LYS 69 HE3 LYS 69 -16.049 -13.687 -9.456 509 HZ1 LYS 69 HZ1 LYS 69 -16.277 -14.169 -6.829 510 HZ2 LYS 69 HZ2 LYS 69 -17.588 -14.058 -7.892 511 HZ3 LYS 69 HZ3 LYS 69 -17.139 -12.719 -6.960 512 H SER 70 H SER 70 -15.288 -7.938 -6.881 513 HA SER 70 HA SER 70 -15.312 -6.241 -5.365 514 HB2 SER 70 HB2 SER 70 -17.115 -7.880 -4.384 515 HB3 SER 70 HB3 SER 70 -15.890 -8.160 -3.134 516 HG SER 70 HG SER 70 -17.581 -6.156 -3.274 517 H GLN 71 H GLN 71 -14.492 -5.961 -2.792 518 HA GLN 71 HA GLN 71 -11.682 -6.028 -3.030 519 HB2 GLN 71 HB2 GLN 71 -12.729 -4.317 -1.706 520 HB3 GLN 71 HB3 GLN 71 -13.468 -5.531 -0.647 521 HG2 GLN 71 HG2 GLN 71 -11.634 -5.751 0.611 522 HG3 GLN 71 HG3 GLN 71 -10.558 -5.716 -0.793 523 HE21 GLN 71 HE21 GLN 71 -9.074 -4.316 0.026 524 HE22 GLN 71 HE22 GLN 71 -9.409 -2.655 0.367 525 H GLU 72 H GLU 72 -10.131 -7.284 -2.012 526 HA GLU 72 HA GLU 72 -10.924 -9.994 -1.461 527 HB2 GLU 72 HB2 GLU 72 -8.311 -8.535 -1.675 528 HB3 GLU 72 HB3 GLU 72 -8.361 -10.148 -0.945 529 HG2 GLU 72 HG2 GLU 72 -7.812 -10.000 -3.428 530 HG3 GLU 72 HG3 GLU 72 -9.046 -11.164 -2.924 531 H MET 73 H MET 73 -9.125 -7.531 0.393 532 HA MET 73 HA MET 73 -10.129 -8.803 2.854 533 HB2 MET 73 HB2 MET 73 -7.439 -7.544 2.296 534 HB3 MET 73 HB3 MET 73 -8.019 -7.906 3.929 535 HG2 MET 73 HG2 MET 73 -8.396 -10.311 2.833 536 HG3 MET 73 HG3 MET 73 -7.088 -9.733 1.799 537 HE1 MET 73 HE1 MET 73 -4.449 -8.673 4.460 538 HE2 MET 73 HE2 MET 73 -5.527 -7.944 3.270 539 HE3 MET 73 HE3 MET 73 -5.939 -7.889 4.985 540 H SER 74 H SER 74 -10.733 -7.451 4.559 541 HA SER 74 HA SER 74 -11.922 -5.008 3.832 542 HB2 SER 74 HB2 SER 74 -11.235 -5.823 6.664 543 HB3 SER 74 HB3 SER 74 -12.581 -4.809 6.114 544 HG SER 74 HG SER 74 -13.607 -6.661 6.245 545 H ASN 75 H ASN 75 -11.442 -2.869 4.516 546 HA ASN 75 HA ASN 75 -8.873 -1.990 4.069 547 HB2 ASN 75 HB2 ASN 75 -11.338 -0.830 5.188 548 HB3 ASN 75 HB3 ASN 75 -9.853 -0.027 5.712 549 HD21 ASN 75 HD21 ASN 75 -8.234 -0.087 3.611 550 HD22 ASN 75 HD22 ASN 75 -8.922 0.745 2.261 551 H GLU 76 H GLU 76 -10.410 -2.776 7.157 552 HA GLU 76 HA GLU 76 -8.342 -1.911 8.843 553 HB2 GLU 76 HB2 GLU 76 -9.318 -3.491 10.508 554 HB3 GLU 76 HB3 GLU 76 -10.506 -2.412 9.760 555 HG2 GLU 76 HG2 GLU 76 -11.066 -4.277 8.169 556 HG3 GLU 76 HG3 GLU 76 -10.053 -5.323 9.174 557 H GLU 77 H GLU 77 -8.971 -5.096 7.403 558 HA GLU 77 HA GLU 77 -6.853 -6.479 8.579 559 HB2 GLU 77 HB2 GLU 77 -8.857 -7.256 7.044 560 HB3 GLU 77 HB3 GLU 77 -7.643 -7.096 5.766 561 HG2 GLU 77 HG2 GLU 77 -7.604 -9.356 6.440 562 HG3 GLU 77 HG3 GLU 77 -6.158 -8.597 7.120 563 H ILE 78 H ILE 78 -6.980 -4.671 5.529 564 HA ILE 78 HA ILE 78 -4.307 -5.219 4.765 565 HB ILE 78 HB ILE 78 -6.076 -2.909 3.957 566 HG12 ILE 78 HG12 ILE 78 -5.551 -5.127 2.084 567 HG13 ILE 78 HG13 ILE 78 -6.527 -5.562 3.498 568 HG21 ILE 78 HG21 ILE 78 -3.778 -2.393 3.482 569 HG22 ILE 78 HG22 ILE 78 -3.531 -3.977 2.749 570 HG23 ILE 78 HG23 ILE 78 -4.591 -2.800 1.972 571 HD11 ILE 78 HD11 ILE 78 -7.275 -3.118 1.993 572 HD12 ILE 78 HD12 ILE 78 -7.645 -4.692 1.289 573 HD13 ILE 78 HD13 ILE 78 -8.287 -4.262 2.874 574 H ASN 79 H ASN 79 -5.810 -2.392 6.317 575 HA ASN 79 HA ASN 79 -3.601 -0.754 6.528 576 HB2 ASN 79 HB2 ASN 79 -5.230 0.490 7.424 577 HB3 ASN 79 HB3 ASN 79 -6.201 -0.945 7.779 578 HD21 ASN 79 HD21 ASN 79 -6.217 -1.797 9.806 579 HD22 ASN 79 HD22 ASN 79 -5.440 -1.055 11.160 580 H GLU 80 H GLU 80 -4.666 -3.277 8.793 581 HA GLU 80 HA GLU 80 -2.419 -2.903 10.535 582 HB2 GLU 80 HB2 GLU 80 -3.387 -4.457 11.914 583 HB3 GLU 80 HB3 GLU 80 -4.808 -3.907 11.012 584 HG2 GLU 80 HG2 GLU 80 -5.112 -6.160 10.893 585 HG3 GLU 80 HG3 GLU 80 -4.178 -5.885 9.415 586 H GLU 81 H GLU 81 -3.137 -4.874 7.764 587 HA GLU 81 HA GLU 81 -1.241 -6.905 8.091 588 HB2 GLU 81 HB2 GLU 81 -2.948 -7.082 6.401 589 HB3 GLU 81 HB3 GLU 81 -2.339 -5.637 5.580 590 HG2 GLU 81 HG2 GLU 81 -1.691 -7.648 4.385 591 HG3 GLU 81 HG3 GLU 81 -0.276 -6.800 5.023 592 H LEU 82 H LEU 82 -0.962 -3.835 6.303 593 HA LEU 82 HA LEU 82 1.898 -4.223 5.995 594 HB2 LEU 82 HB2 LEU 82 0.284 -1.795 5.220 595 HB3 LEU 82 HB3 LEU 82 1.866 -2.299 4.602 596 HG LEU 82 HG LEU 82 0.215 -4.419 3.948 597 HD11 LEU 82 HD11 LEU 82 -1.887 -3.724 3.845 598 HD12 LEU 82 HD12 LEU 82 -1.400 -2.539 2.632 599 HD13 LEU 82 HD13 LEU 82 -1.416 -2.098 4.339 600 HD21 LEU 82 HD21 LEU 82 1.655 -3.920 2.287 601 HD22 LEU 82 HD22 LEU 82 1.547 -2.182 2.568 602 HD23 LEU 82 HD23 LEU 82 0.282 -3.009 1.657 603 H GLY 83 H GLY 83 -0.323 -2.393 7.962 604 HA2 GLY 83 HA2 GLY 83 0.218 -1.494 10.069 605 HA3 GLY 83 HA3 GLY 83 1.917 -1.534 9.627 606 H ILE 84 H ILE 84 -0.721 -0.126 7.749 607 HA ILE 84 HA ILE 84 0.642 2.470 7.949 608 HB ILE 84 HB ILE 84 -0.526 3.097 5.899 609 HG12 ILE 84 HG12 ILE 84 -1.608 0.268 5.925 610 HG13 ILE 84 HG13 ILE 84 -2.557 1.718 6.293 611 HG21 ILE 84 HG21 ILE 84 1.660 1.947 5.795 612 HG22 ILE 84 HG22 ILE 84 0.813 0.413 5.598 613 HG23 ILE 84 HG23 ILE 84 0.666 1.667 4.366 614 HD11 ILE 84 HD11 ILE 84 -1.172 1.295 3.662 615 HD12 ILE 84 HD12 ILE 84 -2.844 0.828 3.977 616 HD13 ILE 84 HD13 ILE 84 -2.369 2.523 4.073 617 H GLY 85 H GLY 85 -1.207 4.258 7.299 618 HA2 GLY 85 HA2 GLY 85 -3.294 3.920 9.364 619 HA3 GLY 85 HA3 GLY 85 -2.491 5.448 9.038 620 H GLN 86 H GLN 86 -4.270 2.951 7.213 621 HA GLN 86 HA GLN 86 -5.135 4.530 5.123 622 HB2 GLN 86 HB2 GLN 86 -5.918 1.985 6.323 623 HB3 GLN 86 HB3 GLN 86 -7.276 2.833 5.564 624 HG2 GLN 86 HG2 GLN 86 -6.342 2.745 3.449 625 HG3 GLN 86 HG3 GLN 86 -4.707 2.507 4.080 626 HE21 GLN 86 HE21 GLN 86 -4.423 0.722 2.713 627 HE22 GLN 86 HE22 GLN 86 -5.148 -0.807 3.059 628 H ASP 87 H ASP 87 -7.449 5.198 4.698 629 HA ASP 87 HA ASP 87 -8.203 7.147 6.630 630 HB2 ASP 87 HB2 ASP 87 -9.243 6.248 3.972 631 HB3 ASP 87 HB3 ASP 87 -10.295 7.226 5.004 632 H GLU 88 H GLU 88 -8.608 5.883 8.512 633 HA GLU 88 HA GLU 88 -10.702 3.921 8.530 634 HB2 GLU 88 HB2 GLU 88 -9.520 5.291 10.945 635 HB3 GLU 88 HB3 GLU 88 -10.261 3.685 10.851 636 HG2 GLU 88 HG2 GLU 88 -7.605 4.544 9.710 637 HG3 GLU 88 HG3 GLU 88 -7.899 3.421 11.046 638 H ALA 89 H ALA 89 -10.365 7.278 9.600 639 HA ALA 89 HA ALA 89 -11.893 8.873 10.149 640 HB1 ALA 89 HB1 ALA 89 -13.768 7.142 8.542 641 HB2 ALA 89 HB2 ALA 89 -14.041 8.824 8.998 642 HB3 ALA 89 HB3 ALA 89 -12.725 8.411 7.899 643 H ASP 90 H ASP 90 -11.708 8.196 12.379 644 HA ASP 90 HA ASP 90 -14.281 7.318 13.434 645 HB2 ASP 90 HB2 ASP 90 -11.946 5.650 13.388 646 HB3 ASP 90 HB3 ASP 90 -12.325 6.070 15.064 647 H ALA 91 H ALA 91 -10.986 7.983 14.634 648 HA ALA 91 HA ALA 91 -11.615 10.475 15.778 649 HB1 ALA 91 HB1 ALA 91 -11.508 9.763 18.194 650 HB2 ALA 91 HB2 ALA 91 -13.000 9.360 17.342 651 HB3 ALA 91 HB3 ALA 91 -11.786 8.114 17.636 652 H TYR 92 H TYR 92 -9.646 11.196 15.148 653 HA TYR 92 HA TYR 92 -7.390 11.490 15.072 654 HB2 TYR 92 HB2 TYR 92 -8.132 11.342 17.713 655 HB3 TYR 92 HB3 TYR 92 -6.841 10.141 17.624 656 HD1 TYR 92 HD1 TYR 92 -7.341 13.516 16.083 657 HD2 TYR 92 HD2 TYR 92 -4.837 10.968 18.393 658 HE1 TYR 92 HE1 TYR 92 -5.648 15.297 16.202 659 HE2 TYR 92 HE2 TYR 92 -3.137 12.741 18.519 660 HH TYR 92 HH TYR 92 -3.221 15.386 18.350 661 H ASP 93 H ASP 93 -5.214 10.119 15.878 662 HA ASP 93 HA ASP 93 -5.468 7.310 15.268 663 HB2 ASP 93 HB2 ASP 93 -4.183 7.272 13.262 664 HB3 ASP 93 HB3 ASP 93 -5.451 8.483 13.028 665 H CYS 94 H CYS 94 -3.275 6.238 15.254 666 HA CYS 94 HA CYS 94 -1.508 7.619 17.164 667 HB2 CYS 94 HB2 CYS 94 -1.832 4.635 16.785 668 HB3 CYS 94 HB3 CYS 94 -0.897 5.444 18.044 669 H ASP 95 H ASP 95 0.275 8.336 16.215 670 HA ASP 95 HA ASP 95 1.350 6.922 13.892 671 HB2 ASP 95 HB2 ASP 95 2.850 8.963 13.725 672 HB3 ASP 95 HB3 ASP 95 1.120 9.254 13.496 673 H ALA 96 H ALA 96 1.610 6.268 16.907 674 HA ALA 96 HA ALA 96 4.431 6.480 17.416 675 HB1 ALA 96 HB1 ALA 96 2.072 5.427 18.847 676 HB2 ALA 96 HB2 ALA 96 3.624 4.687 19.241 677 HB3 ALA 96 HB3 ALA 96 3.403 6.427 19.429 678 H ALA 97 H ALA 97 2.352 4.226 15.844 679 HA ALA 97 HA ALA 97 3.713 1.827 16.140 680 HB1 ALA 97 HB1 ALA 97 2.095 2.932 13.865 681 HB2 ALA 97 HB2 ALA 97 2.785 1.309 13.826 682 HB3 ALA 97 HB3 ALA 97 1.621 1.744 15.079 683 H LYS 98 H LYS 98 4.342 4.511 13.936 684 HA LYS 98 HA LYS 98 6.630 3.104 12.793 685 HB2 LYS 98 HB2 LYS 98 6.744 4.901 11.183 686 HB3 LYS 98 HB3 LYS 98 5.071 4.334 11.304 687 HG2 LYS 98 HG2 LYS 98 4.609 6.532 11.407 688 HG3 LYS 98 HG3 LYS 98 5.016 6.318 13.119 689 HD2 LYS 98 HD2 LYS 98 7.311 7.032 12.696 690 HD3 LYS 98 HD3 LYS 98 6.946 7.193 10.968 691 HE2 LYS 98 HE2 LYS 98 5.116 8.668 12.744 692 HE3 LYS 98 HE3 LYS 98 6.798 9.217 12.786 693 HZ1 LYS 98 HZ1 LYS 98 6.573 10.169 10.810 694 HZ2 LYS 98 HZ2 LYS 98 4.912 9.865 10.902 695 HZ3 LYS 98 HZ3 LYS 98 5.930 8.768 10.113 696 H ARG 99 H ARG 99 8.722 3.634 13.163 697 HA ARG 99 HA ARG 99 9.474 4.887 15.523 698 HB2 ARG 99 HB2 ARG 99 11.057 4.421 12.987 699 HB3 ARG 99 HB3 ARG 99 11.770 4.950 14.519 700 HG2 ARG 99 HG2 ARG 99 10.302 2.715 15.231 701 HG3 ARG 99 HG3 ARG 99 10.995 2.296 13.656 702 HD2 ARG 99 HD2 ARG 99 13.159 2.382 14.413 703 HD3 ARG 99 HD3 ARG 99 12.776 3.586 15.651 704 HE ARG 99 HE ARG 99 12.392 1.885 17.125 705 HH11 ARG 99 HH11 ARG 99 12.254 0.616 13.885 706 HH12 ARG 99 HH12 ARG 99 12.119 -1.034 14.398 707 HH21 ARG 99 HH21 ARG 99 12.214 -0.282 17.812 708 HH22 ARG 99 HH22 ARG 99 12.096 -1.544 16.632 709 H GLY 100 H GLY 100 10.406 6.182 12.340 710 HA2 GLY 100 HA2 GLY 100 9.222 8.708 12.629 711 HA3 GLY 100 HA3 GLY 100 10.846 8.793 13.293 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -15.029 34.598 29.886 2 HA2 GLY 1 HA2 GLY 1 -12.290 33.618 29.911 3 HA3 GLY 1 HA3 GLY 1 -12.492 35.317 30.307 4 H SER 2 H SER 2 -14.418 32.445 31.144 5 HA SER 2 HA SER 2 -14.438 33.324 33.922 6 HB2 SER 2 HB2 SER 2 -16.044 31.305 34.135 7 HB3 SER 2 HB3 SER 2 -16.596 32.717 33.218 8 HG SER 2 HG SER 2 -15.291 30.595 31.907 9 H ARG 3 H ARG 3 -13.299 32.400 35.507 10 HA ARG 3 HA ARG 3 -11.151 30.724 35.054 11 HB2 ARG 3 HB2 ARG 3 -12.733 31.004 37.620 12 HB3 ARG 3 HB3 ARG 3 -11.082 30.384 37.482 13 HG2 ARG 3 HG2 ARG 3 -10.251 32.524 36.786 14 HG3 ARG 3 HG3 ARG 3 -11.898 33.169 36.691 15 HD2 ARG 3 HD2 ARG 3 -10.981 33.966 38.734 16 HD3 ARG 3 HD3 ARG 3 -12.124 32.680 39.148 17 HE ARG 3 HE ARG 3 -9.665 31.454 38.923 18 HH11 ARG 3 HH11 ARG 3 -11.077 33.981 40.860 19 HH12 ARG 3 HH12 ARG 3 -10.064 33.673 42.232 20 HH21 ARG 3 HH21 ARG 3 -8.326 31.041 40.724 21 HH22 ARG 3 HH22 ARG 3 -8.499 32.002 42.152 22 H ARG 4 H ARG 4 -10.891 28.602 34.767 23 HA ARG 4 HA ARG 4 -12.865 26.715 35.759 24 HB2 ARG 4 HB2 ARG 4 -12.598 27.473 32.928 25 HB3 ARG 4 HB3 ARG 4 -12.554 25.729 33.227 26 HG2 ARG 4 HG2 ARG 4 -14.677 26.303 34.717 27 HG3 ARG 4 HG3 ARG 4 -14.775 27.657 33.579 28 HD2 ARG 4 HD2 ARG 4 -14.259 25.029 32.342 29 HD3 ARG 4 HD3 ARG 4 -15.830 25.195 33.136 30 HE ARG 4 HE ARG 4 -15.643 27.445 31.631 31 HH11 ARG 4 HH11 ARG 4 -15.321 24.045 30.953 32 HH12 ARG 4 HH12 ARG 4 -15.891 24.183 29.322 33 HH21 ARG 4 HH21 ARG 4 -16.395 27.639 29.486 34 HH22 ARG 4 HH22 ARG 4 -16.501 26.228 28.488 35 H ALA 5 H ALA 5 -12.153 24.418 35.267 36 HA ALA 5 HA ALA 5 -9.553 24.014 36.231 37 HB1 ALA 5 HB1 ALA 5 -9.932 21.631 35.648 38 HB2 ALA 5 HB2 ALA 5 -11.252 22.351 36.570 39 HB3 ALA 5 HB3 ALA 5 -11.421 22.107 34.832 40 H SER 6 H SER 6 -7.722 23.044 35.212 41 HA SER 6 HA SER 6 -7.613 23.086 32.304 42 HB2 SER 6 HB2 SER 6 -6.014 24.925 34.087 43 HB3 SER 6 HB3 SER 6 -5.424 24.447 32.486 44 HG SER 6 HG SER 6 -6.630 26.403 32.426 45 H VAL 7 H VAL 7 -5.528 22.218 31.487 46 HA VAL 7 HA VAL 7 -3.990 20.640 33.390 47 HB VAL 7 HB VAL 7 -5.450 19.352 31.080 48 HG11 VAL 7 HG11 VAL 7 -4.488 17.247 32.170 49 HG12 VAL 7 HG12 VAL 7 -3.388 18.251 31.222 50 HG13 VAL 7 HG13 VAL 7 -3.365 18.335 32.984 51 HG21 VAL 7 HG21 VAL 7 -7.049 19.572 32.752 52 HG22 VAL 7 HG22 VAL 7 -6.387 17.966 33.048 53 HG23 VAL 7 HG23 VAL 7 -5.875 19.327 34.045 54 H GLY 8 H GLY 8 -1.913 20.285 32.751 55 HA2 GLY 8 HA2 GLY 8 -0.860 21.855 30.648 56 HA3 GLY 8 HA3 GLY 8 0.022 20.645 31.566 57 H SER 9 H SER 9 0.465 18.709 30.648 58 HA SER 9 HA SER 9 -0.995 17.590 28.493 59 HB2 SER 9 HB2 SER 9 0.247 19.553 27.400 60 HB3 SER 9 HB3 SER 9 1.723 18.610 27.674 61 HG SER 9 HG SER 9 1.200 17.748 25.822 62 H GLU 10 H GLU 10 0.060 15.625 27.625 63 HA GLU 10 HA GLU 10 1.741 14.402 29.699 64 HB2 GLU 10 HB2 GLU 10 -0.595 13.531 28.419 65 HB3 GLU 10 HB3 GLU 10 0.708 12.549 27.729 66 HG2 GLU 10 HG2 GLU 10 -0.284 11.438 29.644 67 HG3 GLU 10 HG3 GLU 10 1.401 11.871 29.964 68 H PHE 11 H PHE 11 2.841 12.302 28.425 69 HA PHE 11 HA PHE 11 4.116 13.106 25.968 70 HB2 PHE 11 HB2 PHE 11 6.353 13.274 26.751 71 HB3 PHE 11 HB3 PHE 11 5.384 14.312 27.797 72 HD1 PHE 11 HD2 PHE 11 4.730 13.513 30.076 73 HD2 PHE 11 HD1 PHE 11 7.570 11.463 27.658 74 HE1 PHE 11 HE2 PHE 11 5.570 12.336 32.067 75 HE2 PHE 11 HE1 PHE 11 8.414 10.282 29.644 76 HZ PHE 11 HZ PHE 11 7.415 10.718 31.853 77 H MET 12 H MET 12 5.201 11.411 24.935 78 HA MET 12 HA MET 12 5.589 8.881 26.240 79 HB2 MET 12 HB2 MET 12 4.004 7.577 25.056 80 HB3 MET 12 HB3 MET 12 3.114 8.962 25.706 81 HG2 MET 12 HG2 MET 12 3.807 9.936 23.279 82 HG3 MET 12 HG3 MET 12 3.673 8.213 22.920 83 HE1 MET 12 HE1 MET 12 1.915 10.875 21.932 84 HE2 MET 12 HE2 MET 12 1.720 9.303 21.156 85 HE3 MET 12 HE3 MET 12 0.310 10.161 21.779 86 H VAL 13 H VAL 13 6.307 7.189 24.593 87 HA VAL 13 HA VAL 13 8.505 8.133 23.172 88 HB VAL 13 HB VAL 13 8.658 5.924 22.161 89 HG11 VAL 13 HG11 VAL 13 7.659 5.283 24.882 90 HG12 VAL 13 HG12 VAL 13 9.166 4.820 24.090 91 HG13 VAL 13 HG13 VAL 13 8.974 6.449 24.737 92 HG21 VAL 13 HG21 VAL 13 6.835 4.786 21.608 93 HG22 VAL 13 HG22 VAL 13 6.456 4.572 23.318 94 HG23 VAL 13 HG23 VAL 13 5.826 5.967 22.442 95 H VAL 14 H VAL 14 8.901 7.887 20.814 96 HA VAL 14 HA VAL 14 6.525 8.408 19.171 97 HB VAL 14 HB VAL 14 7.790 10.194 17.956 98 HG11 VAL 14 HG11 VAL 14 6.904 10.470 20.794 99 HG12 VAL 14 HG12 VAL 14 7.585 11.863 19.951 100 HG13 VAL 14 HG13 VAL 14 6.146 11.064 19.317 101 HG21 VAL 14 HG21 VAL 14 9.592 10.232 20.365 102 HG22 VAL 14 HG22 VAL 14 10.029 9.440 18.852 103 HG23 VAL 14 HG23 VAL 14 9.735 11.178 18.885 104 H ASP 15 H ASP 15 6.688 7.778 17.024 105 HA ASP 15 HA ASP 15 9.197 6.605 16.103 106 HB2 ASP 15 HB2 ASP 15 6.783 5.094 16.849 107 HB3 ASP 15 HB3 ASP 15 7.416 4.708 15.244 108 H VAL 16 H VAL 16 9.505 6.756 13.932 109 HA VAL 16 HA VAL 16 7.266 7.407 12.189 110 HB VAL 16 HB VAL 16 8.212 9.577 13.119 111 HG11 VAL 16 HG11 VAL 16 10.624 8.531 12.700 112 HG12 VAL 16 HG12 VAL 16 10.425 9.367 11.159 113 HG13 VAL 16 HG13 VAL 16 10.330 10.268 12.672 114 HG21 VAL 16 HG21 VAL 16 8.604 10.272 10.474 115 HG22 VAL 16 HG22 VAL 16 7.588 8.834 10.380 116 HG23 VAL 16 HG23 VAL 16 7.059 10.227 11.322 117 H THR 17 H THR 17 9.327 5.257 12.582 118 HA THR 17 HA THR 17 11.087 5.402 10.323 119 HB THR 17 HB THR 17 11.620 3.048 10.838 120 HG1 THR 17 HG1 THR 17 9.877 3.224 13.062 121 HG21 THR 17 HG21 THR 17 11.754 3.943 13.557 122 HG22 THR 17 HG22 THR 17 12.064 5.302 12.476 123 HG23 THR 17 HG23 THR 17 13.043 3.839 12.359 124 H ILE 18 H ILE 18 11.020 4.096 8.445 125 HA ILE 18 HA ILE 18 8.320 3.636 7.481 126 HB ILE 18 HB ILE 18 10.858 3.188 5.925 127 HG12 ILE 18 HG12 ILE 18 10.977 5.428 6.864 128 HG13 ILE 18 HG13 ILE 18 10.636 5.516 5.127 129 HG21 ILE 18 HG21 ILE 18 7.978 3.315 5.331 130 HG22 ILE 18 HG22 ILE 18 9.031 4.148 4.189 131 HG23 ILE 18 HG23 ILE 18 9.269 2.432 4.516 132 HD11 ILE 18 HD11 ILE 18 9.293 7.130 6.313 133 HD12 ILE 18 HD12 ILE 18 8.260 5.879 5.622 134 HD13 ILE 18 HD13 ILE 18 8.633 5.863 7.345 135 H GLU 19 H GLU 19 7.687 1.664 6.424 136 HA GLU 19 HA GLU 19 9.212 -0.712 6.551 137 HB2 GLU 19 HB2 GLU 19 7.719 -1.877 8.250 138 HB3 GLU 19 HB3 GLU 19 8.911 -0.737 8.892 139 HG2 GLU 19 HG2 GLU 19 7.347 0.748 9.598 140 HG3 GLU 19 HG3 GLU 19 6.216 0.327 8.304 141 H ASP 20 H ASP 20 8.380 -0.594 4.382 142 HA ASP 20 HA ASP 20 6.142 -2.254 3.961 143 HB2 ASP 20 HB2 ASP 20 5.494 0.481 4.337 144 HB3 ASP 20 HB3 ASP 20 5.300 0.136 2.614 145 H SER 21 H SER 21 5.749 -2.680 1.695 146 HA SER 21 HA SER 21 6.466 -3.140 -0.414 147 HB2 SER 21 HB2 SER 21 7.342 -0.286 -0.044 148 HB3 SER 21 HB3 SER 21 7.775 -1.165 -1.521 149 HG SER 21 HG SER 21 5.426 -1.672 -1.616 150 H TYR 22 H TYR 22 8.054 -4.103 1.711 151 HA TYR 22 HA TYR 22 10.586 -4.424 0.298 152 HB2 TYR 22 HB2 TYR 22 10.282 -3.328 3.082 153 HB3 TYR 22 HB3 TYR 22 11.725 -4.238 2.634 154 HD1 TYR 22 HD2 TYR 22 12.817 -3.449 0.315 155 HD2 TYR 22 HD1 TYR 22 10.404 -1.025 2.846 156 HE1 TYR 22 HE2 TYR 22 13.823 -1.431 -0.668 157 HE2 TYR 22 HE1 TYR 22 11.402 1.000 1.870 158 HH TYR 22 HH TYR 22 13.935 1.357 0.566 159 H SER 23 H SER 23 9.512 -5.270 3.578 160 HA SER 23 HA SER 23 10.379 -7.975 3.275 161 HB2 SER 23 HB2 SER 23 10.367 -6.673 5.442 162 HB3 SER 23 HB3 SER 23 8.605 -6.866 5.459 163 HG SER 23 HG SER 23 10.525 -8.645 6.148 164 H THR 24 H THR 24 8.754 -9.748 4.071 165 HA THR 24 HA THR 24 6.912 -11.024 3.652 166 HB THR 24 HB THR 24 5.374 -8.627 2.708 167 HG1 THR 24 HG1 THR 24 4.918 -8.324 5.035 168 HG21 THR 24 HG21 THR 24 4.767 -11.309 3.362 169 HG22 THR 24 HG22 THR 24 3.648 -10.017 2.923 170 HG23 THR 24 HG23 THR 24 4.053 -10.297 4.617 171 H GLU 25 H GLU 25 7.314 -12.296 1.953 172 HA GLU 25 HA GLU 25 8.062 -11.609 -0.589 173 HB2 GLU 25 HB2 GLU 25 7.563 -13.957 0.695 174 HB3 GLU 25 HB3 GLU 25 6.232 -13.918 -0.471 175 HG2 GLU 25 HG2 GLU 25 7.660 -13.943 -2.311 176 HG3 GLU 25 HG3 GLU 25 9.051 -13.436 -1.344 177 H SER 26 H SER 26 4.733 -12.551 0.294 178 HA SER 26 HA SER 26 3.526 -11.852 -2.105 179 HB2 SER 26 HB2 SER 26 2.324 -11.729 0.681 180 HB3 SER 26 HB3 SER 26 1.413 -11.778 -0.840 181 HG SER 26 HG SER 26 1.975 -13.845 -1.144 182 H ALA 27 H ALA 27 2.819 -10.002 -3.006 183 HA ALA 27 HA ALA 27 3.275 -7.513 -1.496 184 HB1 ALA 27 HB1 ALA 27 4.543 -6.913 -3.218 185 HB2 ALA 27 HB2 ALA 27 4.057 -8.334 -4.143 186 HB3 ALA 27 HB3 ALA 27 3.083 -6.864 -4.205 187 H TRP 28 H TRP 28 1.820 -5.728 -1.925 188 HA TRP 28 HA TRP 28 -0.914 -6.679 -2.416 189 HB2 TRP 28 HB2 TRP 28 0.268 -4.467 -0.776 190 HB3 TRP 28 HB3 TRP 28 -1.383 -4.291 -1.379 191 HD1 TRP 28 HD1 TRP 28 0.462 -5.703 1.475 192 HE1 TRP 28 HE1 TRP 28 -1.066 -7.216 2.891 193 HE3 TRP 28 HE3 TRP 28 -3.448 -6.190 -1.784 194 HZ2 TRP 28 HZ2 TRP 28 -3.593 -8.452 2.657 195 HZ3 TRP 28 HZ3 TRP 28 -5.381 -7.554 -1.111 196 HH2 TRP 28 HH2 TRP 28 -5.450 -8.661 1.064 197 H VAL 29 H VAL 29 -2.005 -6.058 -4.165 198 HA VAL 29 HA VAL 29 -0.985 -3.760 -5.705 199 HB VAL 29 HB VAL 29 -0.513 -5.863 -6.872 200 HG11 VAL 29 HG11 VAL 29 -3.493 -6.271 -6.691 201 HG12 VAL 29 HG12 VAL 29 -2.431 -7.193 -7.756 202 HG13 VAL 29 HG13 VAL 29 -2.228 -7.289 -6.006 203 HG21 VAL 29 HG21 VAL 29 -2.753 -4.414 -8.268 204 HG22 VAL 29 HG22 VAL 29 -1.129 -3.752 -8.092 205 HG23 VAL 29 HG23 VAL 29 -1.379 -5.242 -9.000 206 H ARG 30 H ARG 30 -2.457 -2.328 -6.533 207 HA ARG 30 HA ARG 30 -5.241 -2.705 -5.651 208 HB2 ARG 30 HB2 ARG 30 -3.981 -0.791 -4.655 209 HB3 ARG 30 HB3 ARG 30 -3.833 -0.106 -6.281 210 HG2 ARG 30 HG2 ARG 30 -6.539 -0.570 -6.068 211 HG3 ARG 30 HG3 ARG 30 -6.080 -0.055 -4.435 212 HD2 ARG 30 HD2 ARG 30 -6.696 1.895 -5.713 213 HD3 ARG 30 HD3 ARG 30 -4.953 1.921 -5.414 214 HE ARG 30 HE ARG 30 -5.689 0.730 -7.930 215 HH11 ARG 30 HH11 ARG 30 -4.917 3.686 -6.260 216 HH12 ARG 30 HH12 ARG 30 -4.419 4.519 -7.695 217 HH21 ARG 30 HH21 ARG 30 -5.036 1.817 -9.826 218 HH22 ARG 30 HH22 ARG 30 -4.488 3.456 -9.722 219 H CYS 31 H CYS 31 -6.928 -2.331 -7.060 220 HA CYS 31 HA CYS 31 -6.339 -2.696 -9.843 221 HB2 CYS 31 HB2 CYS 31 -8.266 -3.786 -8.772 222 HB3 CYS 31 HB3 CYS 31 -8.982 -2.204 -8.454 223 H ASP 32 H ASP 32 -6.515 -1.266 -11.503 224 HA ASP 32 HA ASP 32 -6.725 1.555 -10.757 225 HB2 ASP 32 HB2 ASP 32 -4.774 0.518 -12.124 226 HB3 ASP 32 HB3 ASP 32 -5.916 0.556 -13.474 227 H ASP 33 H ASP 33 -9.120 0.057 -10.833 228 HA ASP 33 HA ASP 33 -10.552 1.573 -12.872 229 HB2 ASP 33 HB2 ASP 33 -9.968 -0.832 -13.667 230 HB3 ASP 33 HB3 ASP 33 -11.219 -1.336 -12.522 231 H CYS 34 H CYS 34 -10.786 -0.664 -10.130 232 HA CYS 34 HA CYS 34 -13.170 0.822 -9.236 233 HB2 CYS 34 HB2 CYS 34 -13.978 -1.206 -8.171 234 HB3 CYS 34 HB3 CYS 34 -13.694 -1.503 -9.887 235 H PHE 35 H PHE 35 -9.969 0.095 -8.599 236 HA PHE 35 HA PHE 35 -8.583 0.526 -6.849 237 HB2 PHE 35 HB2 PHE 35 -10.933 1.918 -5.549 238 HB3 PHE 35 HB3 PHE 35 -9.218 2.196 -5.244 239 HD1 PHE 35 HD2 PHE 35 -7.788 3.112 -7.148 240 HD2 PHE 35 HD1 PHE 35 -12.043 3.190 -7.165 241 HE1 PHE 35 HE2 PHE 35 -7.744 4.889 -8.849 242 HE2 PHE 35 HE1 PHE 35 -12.007 4.967 -8.867 243 HZ PHE 35 HZ PHE 35 -9.856 5.820 -9.710 244 H LYS 36 H LYS 36 -8.690 -1.792 -6.460 245 HA LYS 36 HA LYS 36 -9.801 -2.358 -3.804 246 HB2 LYS 36 HB2 LYS 36 -10.842 -3.406 -6.188 247 HB3 LYS 36 HB3 LYS 36 -9.877 -4.713 -5.483 248 HG2 LYS 36 HG2 LYS 36 -12.119 -4.950 -4.703 249 HG3 LYS 36 HG3 LYS 36 -11.117 -4.397 -3.349 250 HD2 LYS 36 HD2 LYS 36 -11.858 -2.055 -3.835 251 HD3 LYS 36 HD3 LYS 36 -12.980 -2.726 -5.032 252 HE2 LYS 36 HE2 LYS 36 -13.621 -4.260 -2.903 253 HE3 LYS 36 HE3 LYS 36 -13.101 -2.781 -2.081 254 HZ1 LYS 36 HZ1 LYS 36 -15.342 -2.431 -2.438 255 HZ2 LYS 36 HZ2 LYS 36 -15.335 -3.151 -3.968 256 HZ3 LYS 36 HZ3 LYS 36 -14.648 -1.620 -3.752 257 H TRP 37 H TRP 37 -8.474 -3.484 -2.487 258 HA TRP 37 HA TRP 37 -5.761 -3.882 -3.317 259 HB2 TRP 37 HB2 TRP 37 -7.294 -4.121 -0.769 260 HB3 TRP 37 HB3 TRP 37 -5.776 -5.012 -0.893 261 HD1 TRP 37 HD1 TRP 37 -6.787 -1.988 0.572 262 HE1 TRP 37 HE1 TRP 37 -4.957 -0.178 0.554 263 HE3 TRP 37 HE3 TRP 37 -3.707 -3.982 -2.989 264 HZ2 TRP 37 HZ2 TRP 37 -2.531 0.338 -0.793 265 HZ3 TRP 37 HZ3 TRP 37 -1.651 -2.767 -3.584 266 HH2 TRP 37 HH2 TRP 37 -1.078 -0.651 -2.508 267 H ARG 38 H ARG 38 -4.654 -5.776 -3.636 268 HA ARG 38 HA ARG 38 -6.100 -8.305 -3.387 269 HB2 ARG 38 HB2 ARG 38 -5.984 -7.041 -5.814 270 HB3 ARG 38 HB3 ARG 38 -4.559 -8.089 -5.880 271 HG2 ARG 38 HG2 ARG 38 -7.023 -9.385 -4.917 272 HG3 ARG 38 HG3 ARG 38 -7.039 -8.856 -6.607 273 HD2 ARG 38 HD2 ARG 38 -5.536 -10.412 -7.253 274 HD3 ARG 38 HD3 ARG 38 -4.576 -10.219 -5.781 275 HE ARG 38 HE ARG 38 -7.075 -11.572 -5.353 276 HH11 ARG 38 HH11 ARG 38 -3.735 -11.940 -6.262 277 HH12 ARG 38 HH12 ARG 38 -3.657 -13.608 -5.801 278 HH21 ARG 38 HH21 ARG 38 -6.985 -13.769 -4.743 279 HH22 ARG 38 HH22 ARG 38 -5.507 -14.647 -4.938 280 H ARG 39 H ARG 39 -4.853 -9.777 -2.445 281 HA ARG 39 HA ARG 39 -2.029 -9.251 -2.089 282 HB2 ARG 39 HB2 ARG 39 -3.799 -10.228 -0.386 283 HB3 ARG 39 HB3 ARG 39 -3.325 -11.763 -1.130 284 HG2 ARG 39 HG2 ARG 39 -0.892 -10.625 -0.624 285 HG3 ARG 39 HG3 ARG 39 -1.869 -10.056 0.741 286 HD2 ARG 39 HD2 ARG 39 -2.637 -12.618 0.749 287 HD3 ARG 39 HD3 ARG 39 -1.041 -12.809 0.011 288 HE ARG 39 HE ARG 39 -0.642 -11.219 2.220 289 HH11 ARG 39 HH11 ARG 39 -1.901 -14.403 1.597 290 HH12 ARG 39 HH12 ARG 39 -1.408 -15.041 3.131 291 HH21 ARG 39 HH21 ARG 39 0.013 -12.045 4.242 292 HH22 ARG 39 HH22 ARG 39 -0.320 -13.698 4.636 293 H ILE 40 H ILE 40 -0.645 -9.833 -3.624 294 HA ILE 40 HA ILE 40 -1.075 -12.411 -4.988 295 HB ILE 40 HB ILE 40 -0.154 -11.559 -6.997 296 HG12 ILE 40 HG12 ILE 40 0.535 -9.086 -5.391 297 HG13 ILE 40 HG13 ILE 40 1.671 -10.241 -6.110 298 HG21 ILE 40 HG21 ILE 40 -2.472 -10.513 -5.878 299 HG22 ILE 40 HG22 ILE 40 -1.643 -9.119 -6.570 300 HG23 ILE 40 HG23 ILE 40 -2.027 -10.510 -7.584 301 HD11 ILE 40 HD11 ILE 40 0.067 -8.111 -7.425 302 HD12 ILE 40 HD12 ILE 40 1.766 -8.537 -7.630 303 HD13 ILE 40 HD13 ILE 40 0.510 -9.548 -8.345 304 HA PRO 41 HA PRO 41 2.880 -13.710 -3.588 305 HB2 PRO 41 HB2 PRO 41 3.655 -15.336 -5.651 306 HB3 PRO 41 HB3 PRO 41 2.390 -15.761 -4.498 307 HG2 PRO 41 HG2 PRO 41 2.140 -14.586 -7.247 308 HG3 PRO 41 HG3 PRO 41 1.212 -15.938 -6.495 309 HD2 PRO 41 HD2 PRO 41 0.218 -13.422 -6.714 310 HD3 PRO 41 HD3 PRO 41 -0.164 -14.487 -5.350 311 H ALA 42 H ALA 42 5.125 -13.447 -3.893 312 HA ALA 42 HA ALA 42 5.886 -11.119 -5.313 313 HB1 ALA 42 HB1 ALA 42 7.954 -13.062 -4.435 314 HB2 ALA 42 HB2 ALA 42 7.900 -11.307 -4.261 315 HB3 ALA 42 HB3 ALA 42 6.925 -12.329 -3.204 316 H SER 43 H SER 43 5.458 -14.307 -6.324 317 HA SER 43 HA SER 43 7.500 -14.376 -8.338 318 HB2 SER 43 HB2 SER 43 6.516 -16.421 -7.261 319 HB3 SER 43 HB3 SER 43 5.016 -16.093 -8.147 320 HG SER 43 HG SER 43 7.435 -17.073 -9.068 321 H VAL 44 H VAL 44 4.083 -13.552 -8.212 322 HA VAL 44 HA VAL 44 4.006 -13.075 -11.088 323 HB VAL 44 HB VAL 44 2.094 -14.175 -9.860 324 HG11 VAL 44 HG11 VAL 44 1.620 -11.366 -8.867 325 HG12 VAL 44 HG12 VAL 44 0.536 -12.742 -8.653 326 HG13 VAL 44 HG13 VAL 44 2.120 -12.736 -7.878 327 HG21 VAL 44 HG21 VAL 44 0.768 -11.872 -11.026 328 HG22 VAL 44 HG22 VAL 44 2.112 -12.442 -12.018 329 HG23 VAL 44 HG23 VAL 44 0.811 -13.548 -11.575 330 H VAL 45 H VAL 45 4.129 -11.332 -8.068 331 HA VAL 45 HA VAL 45 3.297 -8.803 -8.886 332 HB VAL 45 HB VAL 45 4.013 -9.696 -6.527 333 HG11 VAL 45 HG11 VAL 45 6.525 -8.211 -7.228 334 HG12 VAL 45 HG12 VAL 45 6.184 -9.200 -5.807 335 HG13 VAL 45 HG13 VAL 45 6.411 -9.964 -7.381 336 HG21 VAL 45 HG21 VAL 45 4.779 -7.067 -6.210 337 HG22 VAL 45 HG22 VAL 45 3.808 -7.034 -7.683 338 HG23 VAL 45 HG23 VAL 45 3.123 -7.674 -6.189 339 H GLY 46 H GLY 46 6.218 -10.530 -9.576 340 HA2 GLY 46 HA2 GLY 46 7.515 -8.102 -10.595 341 HA3 GLY 46 HA3 GLY 46 8.293 -9.658 -10.350 342 H SER 47 H SER 47 5.206 -9.603 -11.893 343 HA SER 47 HA SER 47 6.447 -9.767 -14.545 344 HB2 SER 47 HB2 SER 47 4.459 -11.780 -13.446 345 HB3 SER 47 HB3 SER 47 5.104 -11.754 -15.096 346 HG SER 47 HG SER 47 6.152 -12.948 -13.011 347 H ILE 48 H ILE 48 3.476 -9.507 -12.651 348 HA ILE 48 HA ILE 48 1.875 -8.646 -14.862 349 HB ILE 48 HB ILE 48 0.172 -8.104 -13.172 350 HG12 ILE 48 HG12 ILE 48 0.952 -9.044 -10.783 351 HG13 ILE 48 HG13 ILE 48 2.509 -8.428 -11.361 352 HG21 ILE 48 HG21 ILE 48 0.153 -10.337 -13.936 353 HG22 ILE 48 HG22 ILE 48 1.555 -10.764 -12.956 354 HG23 ILE 48 HG23 ILE 48 0.008 -10.427 -12.181 355 HD11 ILE 48 HD11 ILE 48 0.242 -6.983 -10.327 356 HD12 ILE 48 HD12 ILE 48 1.896 -6.440 -10.609 357 HD13 ILE 48 HD13 ILE 48 0.716 -6.386 -11.917 358 H ASP 49 H ASP 49 4.212 -7.132 -12.983 359 HA ASP 49 HA ASP 49 3.036 -4.472 -13.225 360 HB2 ASP 49 HB2 ASP 49 4.429 -5.490 -11.202 361 HB3 ASP 49 HB3 ASP 49 5.791 -4.898 -12.162 362 H GLU 50 H GLU 50 3.636 -5.764 -15.654 363 HA GLU 50 HA GLU 50 6.049 -4.387 -16.601 364 HB2 GLU 50 HB2 GLU 50 5.992 -5.849 -18.522 365 HB3 GLU 50 HB3 GLU 50 5.869 -6.819 -17.045 366 HG2 GLU 50 HG2 GLU 50 4.124 -7.821 -17.974 367 HG3 GLU 50 HG3 GLU 50 3.239 -6.312 -17.704 368 H SER 51 H SER 51 3.100 -3.454 -16.150 369 HA SER 51 HA SER 51 2.958 -1.962 -18.677 370 HB2 SER 51 HB2 SER 51 0.827 -3.621 -17.386 371 HB3 SER 51 HB3 SER 51 0.351 -2.126 -18.212 372 HG SER 51 HG SER 51 1.305 -2.905 -20.101 373 H SER 52 H SER 52 3.502 -1.722 -15.539 374 HA SER 52 HA SER 52 3.410 -0.051 -13.998 375 HB2 SER 52 HB2 SER 52 3.940 1.214 -16.280 376 HB3 SER 52 HB3 SER 52 2.330 1.898 -15.985 377 HG SER 52 HG SER 52 3.067 2.600 -13.948 378 H ARG 53 H ARG 53 1.058 -1.714 -14.540 379 HA ARG 53 HA ARG 53 -0.804 -0.332 -12.893 380 HB2 ARG 53 HB2 ARG 53 -2.619 -0.012 -14.371 381 HB3 ARG 53 HB3 ARG 53 -1.209 0.682 -15.184 382 HG2 ARG 53 HG2 ARG 53 -1.211 -1.926 -16.081 383 HG3 ARG 53 HG3 ARG 53 -2.932 -1.510 -15.998 384 HD2 ARG 53 HD2 ARG 53 -1.777 0.748 -17.118 385 HD3 ARG 53 HD3 ARG 53 -0.884 -0.594 -17.846 386 HE ARG 53 HE ARG 53 -3.595 -1.218 -17.986 387 HH11 ARG 53 HH11 ARG 53 -1.376 1.139 -19.267 388 HH12 ARG 53 HH12 ARG 53 -2.272 1.378 -20.731 389 HH21 ARG 53 HH21 ARG 53 -4.783 -0.911 -19.910 390 HH22 ARG 53 HH22 ARG 53 -4.209 0.212 -21.096 391 H TRP 54 H TRP 54 -2.927 -1.652 -12.762 392 HA TRP 54 HA TRP 54 -2.847 -4.392 -13.541 393 HB2 TRP 54 HB2 TRP 54 -1.145 -4.414 -11.731 394 HB3 TRP 54 HB3 TRP 54 -2.364 -3.801 -10.612 395 HD1 TRP 54 HD1 TRP 54 -1.239 -6.998 -12.311 396 HE1 TRP 54 HE1 TRP 54 -2.566 -8.980 -11.343 397 HE3 TRP 54 HE3 TRP 54 -4.701 -4.403 -9.586 398 HZ2 TRP 54 HZ2 TRP 54 -4.787 -9.388 -9.649 399 HZ3 TRP 54 HZ3 TRP 54 -6.392 -5.665 -8.321 400 HH2 TRP 54 HH2 TRP 54 -6.433 -8.106 -8.353 401 H ILE 55 H ILE 55 -4.763 -5.517 -13.015 402 HA ILE 55 HA ILE 55 -6.831 -4.023 -11.583 403 HB ILE 55 HB ILE 55 -8.449 -4.757 -13.458 404 HG12 ILE 55 HG12 ILE 55 -5.796 -4.778 -14.921 405 HG13 ILE 55 HG13 ILE 55 -6.897 -6.152 -14.712 406 HG21 ILE 55 HG21 ILE 55 -6.697 -2.587 -14.457 407 HG22 ILE 55 HG22 ILE 55 -8.443 -2.615 -14.212 408 HG23 ILE 55 HG23 ILE 55 -7.363 -2.407 -12.834 409 HD11 ILE 55 HD11 ILE 55 -7.652 -5.605 -16.736 410 HD12 ILE 55 HD12 ILE 55 -8.526 -4.322 -15.899 411 HD13 ILE 55 HD13 ILE 55 -6.972 -3.981 -16.657 412 H CYS 56 H CYS 56 -8.917 -5.458 -11.536 413 HA CYS 56 HA CYS 56 -8.266 -7.816 -10.140 414 HB2 CYS 56 HB2 CYS 56 -10.951 -7.144 -11.358 415 HB3 CYS 56 HB3 CYS 56 -10.638 -8.187 -9.969 416 H MET 57 H MET 57 -9.768 -7.360 -13.340 417 HA MET 57 HA MET 57 -9.956 -10.064 -14.022 418 HB2 MET 57 HB2 MET 57 -10.023 -9.255 -16.384 419 HB3 MET 57 HB3 MET 57 -11.144 -8.414 -15.303 420 HG2 MET 57 HG2 MET 57 -8.821 -6.889 -15.191 421 HG3 MET 57 HG3 MET 57 -8.966 -7.365 -16.885 422 HE1 MET 57 HE1 MET 57 -10.486 -5.632 -13.878 423 HE2 MET 57 HE2 MET 57 -11.912 -4.793 -14.488 424 HE3 MET 57 HE3 MET 57 -11.958 -6.538 -14.236 425 H ASN 58 H ASN 58 -7.223 -8.007 -13.817 426 HA ASN 58 HA ASN 58 -5.573 -9.572 -15.604 427 HB2 ASN 58 HB2 ASN 58 -5.253 -7.096 -13.988 428 HB3 ASN 58 HB3 ASN 58 -3.788 -8.032 -14.303 429 HD21 ASN 58 HD21 ASN 58 -6.632 -7.562 -16.345 430 HD22 ASN 58 HD22 ASN 58 -5.786 -6.817 -17.655 431 H ASN 59 H ASN 59 -6.667 -9.928 -12.475 432 HA ASN 59 HA ASN 59 -4.428 -10.867 -11.083 433 HB2 ASN 59 HB2 ASN 59 -6.598 -10.343 -10.022 434 HB3 ASN 59 HB3 ASN 59 -7.306 -11.764 -10.801 435 HD21 ASN 59 HD21 ASN 59 -7.834 -12.459 -8.654 436 HD22 ASN 59 HD22 ASN 59 -6.643 -13.257 -7.690 437 H SER 60 H SER 60 -3.481 -12.856 -10.866 438 HA SER 60 HA SER 60 -3.557 -14.595 -13.094 439 HB2 SER 60 HB2 SER 60 -1.503 -14.472 -11.915 440 HB3 SER 60 HB3 SER 60 -2.291 -14.808 -10.363 441 HG SER 60 HG SER 60 -1.163 -16.627 -11.324 442 H ASP 61 H ASP 61 -5.353 -14.471 -10.155 443 HA ASP 61 HA ASP 61 -6.120 -17.194 -9.995 444 HB2 ASP 61 HB2 ASP 61 -6.371 -15.108 -8.323 445 HB3 ASP 61 HB3 ASP 61 -7.995 -15.103 -9.027 446 H LYS 62 H LYS 62 -8.683 -17.576 -10.011 447 HA LYS 62 HA LYS 62 -9.674 -16.645 -12.624 448 HB2 LYS 62 HB2 LYS 62 -10.783 -18.911 -12.811 449 HB3 LYS 62 HB3 LYS 62 -9.021 -18.899 -12.974 450 HG2 LYS 62 HG2 LYS 62 -9.638 -19.272 -10.223 451 HG3 LYS 62 HG3 LYS 62 -10.617 -20.398 -11.179 452 HD2 LYS 62 HD2 LYS 62 -8.762 -21.467 -12.085 453 HD3 LYS 62 HD3 LYS 62 -7.699 -20.084 -11.765 454 HE2 LYS 62 HE2 LYS 62 -7.096 -20.923 -9.788 455 HE3 LYS 62 HE3 LYS 62 -8.792 -21.061 -9.297 456 HZ1 LYS 62 HZ1 LYS 62 -7.016 -23.114 -9.978 457 HZ2 LYS 62 HZ2 LYS 62 -8.255 -23.105 -11.129 458 HZ3 LYS 62 HZ3 LYS 62 -8.629 -23.246 -9.485 459 H ARG 63 H ARG 63 -10.460 -17.732 -9.371 460 HA ARG 63 HA ARG 63 -13.270 -17.076 -9.712 461 HB2 ARG 63 HB2 ARG 63 -11.632 -18.533 -7.742 462 HB3 ARG 63 HB3 ARG 63 -12.960 -17.592 -7.046 463 HG2 ARG 63 HG2 ARG 63 -13.943 -19.653 -7.394 464 HG3 ARG 63 HG3 ARG 63 -14.418 -18.745 -8.837 465 HD2 ARG 63 HD2 ARG 63 -12.599 -19.770 -10.113 466 HD3 ARG 63 HD3 ARG 63 -12.081 -20.644 -8.666 467 HE ARG 63 HE ARG 63 -14.273 -21.313 -10.398 468 HH11 ARG 63 HH11 ARG 63 -12.965 -21.631 -7.188 469 HH12 ARG 63 HH12 ARG 63 -13.830 -23.091 -6.839 470 HH21 ARG 63 HH21 ARG 63 -15.416 -23.235 -9.951 471 HH22 ARG 63 HH22 ARG 63 -15.224 -24.003 -8.411 472 H PHE 64 H PHE 64 -10.424 -15.491 -8.832 473 HA PHE 64 HA PHE 64 -11.983 -13.290 -7.655 474 HB2 PHE 64 HB2 PHE 64 -9.425 -14.529 -6.691 475 HB3 PHE 64 HB3 PHE 64 -9.734 -12.818 -6.389 476 HD1 PHE 64 HD1 PHE 64 -11.536 -16.073 -6.076 477 HD2 PHE 64 HD2 PHE 64 -10.716 -12.248 -4.400 478 HE1 PHE 64 HE1 PHE 64 -12.900 -16.645 -4.110 479 HE2 PHE 64 HE2 PHE 64 -12.077 -12.814 -2.431 480 HZ PHE 64 HZ PHE 64 -13.171 -15.016 -2.284 481 H ALA 65 H ALA 65 -11.166 -13.728 -10.398 482 HA ALA 65 HA ALA 65 -9.275 -11.491 -10.734 483 HB1 ALA 65 HB1 ALA 65 -8.524 -12.457 -12.779 484 HB2 ALA 65 HB2 ALA 65 -8.489 -13.724 -11.552 485 HB3 ALA 65 HB3 ALA 65 -9.794 -13.679 -12.738 486 H ASP 66 H ASP 66 -11.368 -10.259 -10.408 487 HA ASP 66 HA ASP 66 -12.224 -9.208 -12.873 488 HB2 ASP 66 HB2 ASP 66 -13.827 -11.408 -11.748 489 HB3 ASP 66 HB3 ASP 66 -14.756 -9.955 -12.144 490 H CYS 67 H CYS 67 -13.518 -7.348 -12.636 491 HA CYS 67 HA CYS 67 -13.205 -6.005 -10.156 492 HB2 CYS 67 HB2 CYS 67 -14.380 -5.384 -12.814 493 HB3 CYS 67 HB3 CYS 67 -14.949 -4.417 -11.453 494 H SER 68 H SER 68 -15.522 -8.191 -11.260 495 HA SER 68 HA SER 68 -17.744 -7.131 -9.748 496 HB2 SER 68 HB2 SER 68 -17.291 -9.345 -11.646 497 HB3 SER 68 HB3 SER 68 -18.457 -9.701 -10.359 498 HG SER 68 HG SER 68 -18.758 -8.130 -12.532 499 H LYS 69 H LYS 69 -15.490 -9.854 -9.478 500 HA LYS 69 HA LYS 69 -16.505 -11.119 -7.249 501 HB2 LYS 69 HB2 LYS 69 -14.367 -12.093 -6.933 502 HB3 LYS 69 HB3 LYS 69 -14.532 -11.822 -8.675 503 HG2 LYS 69 HG2 LYS 69 -12.528 -10.860 -8.575 504 HG3 LYS 69 HG3 LYS 69 -13.357 -9.496 -7.805 505 HD2 LYS 69 HD2 LYS 69 -12.993 -11.190 -5.684 506 HD3 LYS 69 HD3 LYS 69 -11.538 -11.484 -6.652 507 HE2 LYS 69 HE2 LYS 69 -12.410 -8.665 -6.128 508 HE3 LYS 69 HE3 LYS 69 -11.572 -9.577 -4.862 509 HZ1 LYS 69 HZ1 LYS 69 -10.201 -9.912 -7.295 510 HZ2 LYS 69 HZ2 LYS 69 -9.656 -9.186 -5.868 511 HZ3 LYS 69 HZ3 LYS 69 -10.449 -8.258 -7.039 512 H SER 70 H SER 70 -16.338 -10.871 -5.052 513 HA SER 70 HA SER 70 -16.046 -8.219 -4.070 514 HB2 SER 70 HB2 SER 70 -15.984 -10.528 -2.178 515 HB3 SER 70 HB3 SER 70 -16.910 -9.019 -2.097 516 HG SER 70 HG SER 70 -18.471 -10.327 -2.698 517 H GLN 71 H GLN 71 -14.532 -7.432 -2.536 518 HA GLN 71 HA GLN 71 -11.873 -7.818 -3.126 519 HB2 GLN 71 HB2 GLN 71 -12.899 -5.920 -1.817 520 HB3 GLN 71 HB3 GLN 71 -12.885 -6.991 -0.406 521 HG2 GLN 71 HG2 GLN 71 -10.582 -6.979 -0.231 522 HG3 GLN 71 HG3 GLN 71 -10.364 -6.513 -1.925 523 HE21 GLN 71 HE21 GLN 71 -8.918 -5.153 -0.200 524 HE22 GLN 71 HE22 GLN 71 -9.542 -3.562 0.058 525 H GLU 72 H GLU 72 -10.126 -8.683 -1.756 526 HA GLU 72 HA GLU 72 -10.745 -11.390 -0.967 527 HB2 GLU 72 HB2 GLU 72 -8.104 -9.908 -0.889 528 HB3 GLU 72 HB3 GLU 72 -8.332 -11.656 -0.720 529 HG2 GLU 72 HG2 GLU 72 -9.588 -11.013 -3.124 530 HG3 GLU 72 HG3 GLU 72 -8.101 -10.055 -3.105 531 H MET 73 H MET 73 -9.232 -8.577 0.618 532 HA MET 73 HA MET 73 -10.134 -9.677 3.198 533 HB2 MET 73 HB2 MET 73 -7.507 -8.402 2.462 534 HB3 MET 73 HB3 MET 73 -8.084 -8.423 4.134 535 HG2 MET 73 HG2 MET 73 -8.384 -11.017 3.583 536 HG3 MET 73 HG3 MET 73 -7.092 -10.636 2.443 537 HE1 MET 73 HE1 MET 73 -5.803 -8.144 5.094 538 HE2 MET 73 HE2 MET 73 -4.388 -9.087 4.621 539 HE3 MET 73 HE3 MET 73 -5.565 -8.590 3.404 540 H SER 74 H SER 74 -10.193 -7.931 4.931 541 HA SER 74 HA SER 74 -11.782 -5.744 3.913 542 HB2 SER 74 HB2 SER 74 -10.966 -6.296 6.781 543 HB3 SER 74 HB3 SER 74 -12.304 -5.275 6.222 544 HG SER 74 HG SER 74 -13.323 -7.132 5.413 545 H ASN 75 H ASN 75 -11.377 -3.528 4.282 546 HA ASN 75 HA ASN 75 -8.855 -2.604 3.679 547 HB2 ASN 75 HB2 ASN 75 -11.290 -1.351 4.883 548 HB3 ASN 75 HB3 ASN 75 -9.783 -0.426 4.881 549 HD21 ASN 75 HD21 ASN 75 -8.601 -0.807 2.607 550 HD22 ASN 75 HD22 ASN 75 -9.602 -0.407 1.257 551 H GLU 76 H GLU 76 -10.321 -3.052 6.867 552 HA GLU 76 HA GLU 76 -8.303 -1.866 8.402 553 HB2 GLU 76 HB2 GLU 76 -9.152 -3.327 10.253 554 HB3 GLU 76 HB3 GLU 76 -10.401 -2.384 9.427 555 HG2 GLU 76 HG2 GLU 76 -10.496 -4.657 7.978 556 HG3 GLU 76 HG3 GLU 76 -10.002 -5.294 9.551 557 H GLU 77 H GLU 77 -8.738 -5.257 7.422 558 HA GLU 77 HA GLU 77 -6.471 -6.288 8.701 559 HB2 GLU 77 HB2 GLU 77 -7.842 -7.215 6.166 560 HB3 GLU 77 HB3 GLU 77 -6.651 -8.157 7.074 561 HG2 GLU 77 HG2 GLU 77 -8.397 -7.617 9.048 562 HG3 GLU 77 HG3 GLU 77 -9.488 -7.631 7.657 563 H ILE 78 H ILE 78 -6.884 -4.954 5.447 564 HA ILE 78 HA ILE 78 -4.248 -5.479 4.562 565 HB ILE 78 HB ILE 78 -6.090 -3.284 3.609 566 HG12 ILE 78 HG12 ILE 78 -5.791 -6.050 2.433 567 HG13 ILE 78 HG13 ILE 78 -7.040 -5.655 3.625 568 HG21 ILE 78 HG21 ILE 78 -3.626 -4.570 2.484 569 HG22 ILE 78 HG22 ILE 78 -4.806 -3.777 1.441 570 HG23 ILE 78 HG23 ILE 78 -3.984 -2.857 2.700 571 HD11 ILE 78 HD11 ILE 78 -7.203 -5.370 0.860 572 HD12 ILE 78 HD12 ILE 78 -8.350 -4.794 2.068 573 HD13 ILE 78 HD13 ILE 78 -7.066 -3.731 1.496 574 H ASN 79 H ASN 79 -5.762 -2.588 5.965 575 HA ASN 79 HA ASN 79 -3.564 -0.877 5.803 576 HB2 ASN 79 HB2 ASN 79 -5.054 0.538 6.671 577 HB3 ASN 79 HB3 ASN 79 -6.150 -0.820 6.962 578 HD21 ASN 79 HD21 ASN 79 -6.433 -1.592 8.991 579 HD22 ASN 79 HD22 ASN 79 -5.714 -0.890 10.397 580 H GLU 80 H GLU 80 -4.489 -3.185 8.321 581 HA GLU 80 HA GLU 80 -2.296 -2.499 10.035 582 HB2 GLU 80 HB2 GLU 80 -3.020 -4.312 11.431 583 HB3 GLU 80 HB3 GLU 80 -4.455 -3.449 10.853 584 HG2 GLU 80 HG2 GLU 80 -4.962 -5.156 9.274 585 HG3 GLU 80 HG3 GLU 80 -3.411 -5.956 9.566 586 H GLU 81 H GLU 81 -2.849 -4.777 7.461 587 HA GLU 81 HA GLU 81 -0.728 -6.554 8.006 588 HB2 GLU 81 HB2 GLU 81 -2.546 -7.106 6.465 589 HB3 GLU 81 HB3 GLU 81 -2.002 -5.836 5.360 590 HG2 GLU 81 HG2 GLU 81 -1.350 -8.188 4.738 591 HG3 GLU 81 HG3 GLU 81 -0.036 -7.004 4.809 592 H LEU 82 H LEU 82 -0.920 -3.792 5.763 593 HA LEU 82 HA LEU 82 1.905 -3.909 5.210 594 HB2 LEU 82 HB2 LEU 82 -0.130 -1.792 4.493 595 HB3 LEU 82 HB3 LEU 82 1.506 -1.941 3.829 596 HG LEU 82 HG LEU 82 0.165 -4.398 3.360 597 HD11 LEU 82 HD11 LEU 82 -1.571 -2.047 3.191 598 HD12 LEU 82 HD12 LEU 82 -1.978 -3.763 3.241 599 HD13 LEU 82 HD13 LEU 82 -1.506 -3.013 1.716 600 HD21 LEU 82 HD21 LEU 82 1.473 -2.230 1.859 601 HD22 LEU 82 HD22 LEU 82 0.320 -3.203 0.943 602 HD23 LEU 82 HD23 LEU 82 1.684 -3.978 1.752 603 H GLY 83 H GLY 83 -0.217 -2.146 7.339 604 HA2 GLY 83 HA2 GLY 83 0.485 -1.070 9.310 605 HA3 GLY 83 HA3 GLY 83 2.119 -1.012 8.670 606 H ILE 84 H ILE 84 -0.712 0.040 6.887 607 HA ILE 84 HA ILE 84 0.379 2.769 6.914 608 HB ILE 84 HB ILE 84 -0.917 3.163 4.880 609 HG12 ILE 84 HG12 ILE 84 -1.705 0.248 5.140 610 HG13 ILE 84 HG13 ILE 84 -2.786 1.634 5.365 611 HG21 ILE 84 HG21 ILE 84 0.270 0.827 3.814 612 HG22 ILE 84 HG22 ILE 84 0.907 2.470 3.824 613 HG23 ILE 84 HG23 ILE 84 1.280 1.373 5.153 614 HD11 ILE 84 HD11 ILE 84 -2.285 0.247 2.996 615 HD12 ILE 84 HD12 ILE 84 -3.215 1.732 3.199 616 HD13 ILE 84 HD13 ILE 84 -1.496 1.813 2.813 617 H GLY 85 H GLY 85 -1.657 4.329 6.245 618 HA2 GLY 85 HA2 GLY 85 -3.656 3.879 8.376 619 HA3 GLY 85 HA3 GLY 85 -2.997 5.462 7.994 620 H GLN 86 H GLN 86 -4.661 2.761 6.363 621 HA GLN 86 HA GLN 86 -5.663 4.144 4.195 622 HB2 GLN 86 HB2 GLN 86 -6.281 1.653 5.593 623 HB3 GLN 86 HB3 GLN 86 -7.701 2.380 4.820 624 HG2 GLN 86 HG2 GLN 86 -6.851 2.151 2.693 625 HG3 GLN 86 HG3 GLN 86 -5.177 2.113 3.262 626 HE21 GLN 86 HE21 GLN 86 -4.500 0.240 2.396 627 HE22 GLN 86 HE22 GLN 86 -5.176 -1.309 2.759 628 H ASP 87 H ASP 87 -7.961 4.751 3.777 629 HA ASP 87 HA ASP 87 -8.838 6.583 5.842 630 HB2 ASP 87 HB2 ASP 87 -10.546 7.247 4.092 631 HB3 ASP 87 HB3 ASP 87 -8.853 7.480 3.638 632 H GLU 88 H GLU 88 -9.464 4.909 7.371 633 HA GLU 88 HA GLU 88 -11.626 3.137 6.768 634 HB2 GLU 88 HB2 GLU 88 -11.596 2.588 9.143 635 HB3 GLU 88 HB3 GLU 88 -9.953 2.601 8.483 636 HG2 GLU 88 HG2 GLU 88 -9.789 4.993 9.360 637 HG3 GLU 88 HG3 GLU 88 -11.254 4.616 10.281 638 H ALA 89 H ALA 89 -11.322 6.296 8.281 639 HA ALA 89 HA ALA 89 -14.068 6.900 7.787 640 HB1 ALA 89 HB1 ALA 89 -13.311 6.791 10.695 641 HB2 ALA 89 HB2 ALA 89 -14.904 7.067 9.990 642 HB3 ALA 89 HB3 ALA 89 -14.151 5.476 9.874 643 H ASP 90 H ASP 90 -14.554 9.025 9.304 644 HA ASP 90 HA ASP 90 -12.954 11.047 8.228 645 HB2 ASP 90 HB2 ASP 90 -14.609 11.307 10.746 646 HB3 ASP 90 HB3 ASP 90 -14.200 12.575 9.585 647 H ALA 91 H ALA 91 -12.900 9.536 11.429 648 HA ALA 91 HA ALA 91 -11.308 9.469 13.054 649 HB1 ALA 91 HB1 ALA 91 -9.009 9.620 12.434 650 HB2 ALA 91 HB2 ALA 91 -9.870 8.839 11.108 651 HB3 ALA 91 HB3 ALA 91 -9.403 10.535 10.980 652 H TYR 92 H TYR 92 -12.765 12.053 12.179 653 HA TYR 92 HA TYR 92 -11.109 14.229 12.899 654 HB2 TYR 92 HB2 TYR 92 -13.879 13.796 12.168 655 HB3 TYR 92 HB3 TYR 92 -13.754 14.953 13.495 656 HD1 TYR 92 HD1 TYR 92 -12.490 14.272 10.068 657 HD2 TYR 92 HD2 TYR 92 -13.118 17.178 13.111 658 HE1 TYR 92 HE1 TYR 92 -11.885 16.052 8.483 659 HE2 TYR 92 HE2 TYR 92 -12.516 18.967 11.534 660 HH TYR 92 HH TYR 92 -11.446 18.228 8.237 661 H ASP 93 H ASP 93 -10.805 15.283 14.815 662 HA ASP 93 HA ASP 93 -12.289 14.858 17.168 663 HB2 ASP 93 HB2 ASP 93 -10.759 12.675 16.686 664 HB3 ASP 93 HB3 ASP 93 -9.621 13.659 17.617 665 H CYS 94 H CYS 94 -11.052 15.718 19.141 666 HA CYS 94 HA CYS 94 -9.994 18.271 18.446 667 HB2 CYS 94 HB2 CYS 94 -9.939 16.942 21.163 668 HB3 CYS 94 HB3 CYS 94 -9.854 18.669 20.819 669 H ASP 95 H ASP 95 -7.967 18.795 17.995 670 HA ASP 95 HA ASP 95 -5.733 17.673 19.376 671 HB2 ASP 95 HB2 ASP 95 -4.616 16.641 17.463 672 HB3 ASP 95 HB3 ASP 95 -6.164 15.847 17.784 673 H ALA 96 H ALA 96 -6.891 19.480 16.572 674 HA ALA 96 HA ALA 96 -4.614 20.898 15.907 675 HB1 ALA 96 HB1 ALA 96 -6.069 21.638 14.403 676 HB2 ALA 96 HB2 ALA 96 -7.430 21.106 15.391 677 HB3 ALA 96 HB3 ALA 96 -6.736 22.710 15.634 678 H ALA 97 H ALA 97 -6.765 21.317 18.620 679 HA ALA 97 HA ALA 97 -6.116 23.924 19.380 680 HB1 ALA 97 HB1 ALA 97 -6.739 21.648 21.253 681 HB2 ALA 97 HB2 ALA 97 -6.978 23.371 21.544 682 HB3 ALA 97 HB3 ALA 97 -7.954 22.537 20.334 683 H LYS 98 H LYS 98 -4.464 20.873 19.981 684 HA LYS 98 HA LYS 98 -2.382 20.387 20.754 685 HB2 LYS 98 HB2 LYS 98 -2.052 22.559 19.155 686 HB3 LYS 98 HB3 LYS 98 -1.401 23.170 20.685 687 HG2 LYS 98 HG2 LYS 98 0.511 22.289 19.876 688 HG3 LYS 98 HG3 LYS 98 -0.146 20.816 20.613 689 HD2 LYS 98 HD2 LYS 98 -1.229 21.125 17.969 690 HD3 LYS 98 HD3 LYS 98 0.538 21.242 17.912 691 HE2 LYS 98 HE2 LYS 98 0.856 19.092 18.693 692 HE3 LYS 98 HE3 LYS 98 -0.706 19.064 19.525 693 HZ1 LYS 98 HZ1 LYS 98 -0.140 17.959 17.082 694 HZ2 LYS 98 HZ2 LYS 98 -1.033 19.345 16.709 695 HZ3 LYS 98 HZ3 LYS 98 -1.678 18.181 17.752 696 H ARG 99 H ARG 99 -0.602 21.488 22.396 697 HA ARG 99 HA ARG 99 -1.895 22.825 24.611 698 HB2 ARG 99 HB2 ARG 99 -0.911 19.974 24.816 699 HB3 ARG 99 HB3 ARG 99 -1.198 21.011 26.222 700 HG2 ARG 99 HG2 ARG 99 -3.282 20.226 24.181 701 HG3 ARG 99 HG3 ARG 99 -3.076 19.502 25.786 702 HD2 ARG 99 HD2 ARG 99 -3.505 21.686 26.834 703 HD3 ARG 99 HD3 ARG 99 -3.723 22.395 25.228 704 HE ARG 99 HE ARG 99 -5.491 20.257 25.432 705 HH11 ARG 99 HH11 ARG 99 -4.951 23.351 26.933 706 HH12 ARG 99 HH12 ARG 99 -6.621 23.602 27.318 707 HH21 ARG 99 HH21 ARG 99 -7.694 20.576 25.933 708 HH22 ARG 99 HH22 ARG 99 -8.180 22.023 26.748 709 H GLY 100 H GLY 100 0.979 21.054 23.503 710 HA2 GLY 100 HA2 GLY 100 2.675 23.284 24.142 711 HA3 GLY 100 HA3 GLY 100 2.890 21.936 25.247 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -29.695 36.280 5.554 2 HA2 GLY 1 HA2 GLY 1 -27.966 38.435 6.525 3 HA3 GLY 1 HA3 GLY 1 -28.154 36.850 7.259 4 H SER 2 H SER 2 -25.804 36.867 7.357 5 HA SER 2 HA SER 2 -24.674 35.654 4.967 6 HB2 SER 2 HB2 SER 2 -24.240 38.179 4.909 7 HB3 SER 2 HB3 SER 2 -23.180 37.910 6.303 8 HG SER 2 HG SER 2 -21.739 37.003 5.052 9 H ARG 3 H ARG 3 -25.329 34.288 7.178 10 HA ARG 3 HA ARG 3 -23.211 34.140 9.094 11 HB2 ARG 3 HB2 ARG 3 -25.796 32.849 8.629 12 HB3 ARG 3 HB3 ARG 3 -24.571 31.741 9.265 13 HG2 ARG 3 HG2 ARG 3 -24.127 33.557 11.035 14 HG3 ARG 3 HG3 ARG 3 -25.690 34.216 10.520 15 HD2 ARG 3 HD2 ARG 3 -26.800 32.688 11.706 16 HD3 ARG 3 HD3 ARG 3 -25.908 31.381 10.913 17 HE ARG 3 HE ARG 3 -24.326 32.628 12.917 18 HH11 ARG 3 HH11 ARG 3 -26.958 30.396 12.452 19 HH12 ARG 3 HH12 ARG 3 -26.658 29.535 13.925 20 HH21 ARG 3 HH21 ARG 3 -23.923 31.502 14.858 21 HH22 ARG 3 HH22 ARG 3 -24.933 30.165 15.294 22 H ARG 4 H ARG 4 -21.250 33.462 8.525 23 HA ARG 4 HA ARG 4 -20.948 30.844 7.327 24 HB2 ARG 4 HB2 ARG 4 -20.663 33.265 5.775 25 HB3 ARG 4 HB3 ARG 4 -19.123 32.401 5.863 26 HG2 ARG 4 HG2 ARG 4 -21.734 31.160 4.993 27 HG3 ARG 4 HG3 ARG 4 -20.483 31.776 3.901 28 HD2 ARG 4 HD2 ARG 4 -19.717 29.782 5.997 29 HD3 ARG 4 HD3 ARG 4 -20.575 29.232 4.551 30 HE ARG 4 HE ARG 4 -18.346 30.887 3.897 31 HH11 ARG 4 HH11 ARG 4 -19.267 27.662 4.828 32 HH12 ARG 4 HH12 ARG 4 -17.887 26.916 4.091 33 HH21 ARG 4 HH21 ARG 4 -16.526 29.917 2.924 34 HH22 ARG 4 HH22 ARG 4 -16.329 28.199 3.009 35 H ALA 5 H ALA 5 -19.121 29.834 7.993 36 HA ALA 5 HA ALA 5 -17.166 31.443 9.503 37 HB1 ALA 5 HB1 ALA 5 -17.693 28.598 10.228 38 HB2 ALA 5 HB2 ALA 5 -17.093 29.922 11.227 39 HB3 ALA 5 HB3 ALA 5 -18.799 29.854 10.783 40 H SER 6 H SER 6 -15.013 30.430 9.685 41 HA SER 6 HA SER 6 -14.283 28.347 7.857 42 HB2 SER 6 HB2 SER 6 -14.296 31.055 6.897 43 HB3 SER 6 HB3 SER 6 -12.621 30.480 6.992 44 HG SER 6 HG SER 6 -14.328 29.945 5.106 45 H VAL 7 H VAL 7 -12.937 27.264 9.132 46 HA VAL 7 HA VAL 7 -10.599 28.626 10.207 47 HB VAL 7 HB VAL 7 -12.411 26.984 11.982 48 HG11 VAL 7 HG11 VAL 7 -10.458 26.565 13.014 49 HG12 VAL 7 HG12 VAL 7 -9.630 27.905 12.219 50 HG13 VAL 7 HG13 VAL 7 -10.645 28.208 13.629 51 HG21 VAL 7 HG21 VAL 7 -12.527 29.198 13.249 52 HG22 VAL 7 HG22 VAL 7 -11.915 29.941 11.772 53 HG23 VAL 7 HG23 VAL 7 -13.453 29.077 11.752 54 H GLY 8 H GLY 8 -8.807 27.347 10.293 55 HA2 GLY 8 HA2 GLY 8 -9.149 24.454 9.904 56 HA3 GLY 8 HA3 GLY 8 -8.168 25.352 8.759 57 H SER 9 H SER 9 -6.501 23.806 9.462 58 HA SER 9 HA SER 9 -5.001 24.926 11.707 59 HB2 SER 9 HB2 SER 9 -6.436 22.663 12.134 60 HB3 SER 9 HB3 SER 9 -4.917 21.972 11.534 61 HG SER 9 HG SER 9 -5.450 23.083 13.939 62 H GLU 10 H GLU 10 -2.724 24.122 11.735 63 HA GLU 10 HA GLU 10 -1.785 23.735 8.973 64 HB2 GLU 10 HB2 GLU 10 -1.100 25.661 10.880 65 HB3 GLU 10 HB3 GLU 10 0.269 24.537 10.856 66 HG2 GLU 10 HG2 GLU 10 0.635 24.880 8.532 67 HG3 GLU 10 HG3 GLU 10 -0.883 25.776 8.373 68 H PHE 11 H PHE 11 -0.761 21.918 8.456 69 HA PHE 11 HA PHE 11 0.819 20.455 10.364 70 HB2 PHE 11 HB2 PHE 11 -1.910 19.556 9.581 71 HB3 PHE 11 HB3 PHE 11 -0.648 18.325 9.653 72 HD1 PHE 11 HD1 PHE 11 0.956 18.788 11.870 73 HD2 PHE 11 HD2 PHE 11 -3.205 19.592 11.478 74 HE1 PHE 11 HE1 PHE 11 0.698 18.630 14.312 75 HE2 PHE 11 HE2 PHE 11 -3.469 19.436 13.919 76 HZ PHE 11 HZ PHE 11 -1.516 18.955 15.340 77 H MET 12 H MET 12 1.609 18.330 9.301 78 HA MET 12 HA MET 12 2.548 19.040 6.649 79 HB2 MET 12 HB2 MET 12 4.180 17.343 6.906 80 HB3 MET 12 HB3 MET 12 4.044 18.138 8.482 81 HG2 MET 12 HG2 MET 12 2.242 16.154 8.806 82 HG3 MET 12 HG3 MET 12 3.370 15.387 7.688 83 HE1 MET 12 HE1 MET 12 6.299 17.073 9.121 84 HE2 MET 12 HE2 MET 12 6.701 15.384 9.432 85 HE3 MET 12 HE3 MET 12 5.878 15.835 7.938 86 H VAL 13 H VAL 13 2.857 16.951 5.182 87 HA VAL 13 HA VAL 13 0.202 16.155 4.449 88 HB VAL 13 HB VAL 13 1.306 14.890 2.636 89 HG11 VAL 13 HG11 VAL 13 0.923 16.949 1.794 90 HG12 VAL 13 HG12 VAL 13 1.721 17.765 3.140 91 HG13 VAL 13 HG13 VAL 13 2.682 17.062 1.838 92 HG21 VAL 13 HG21 VAL 13 3.538 15.036 4.376 93 HG22 VAL 13 HG22 VAL 13 3.411 14.207 2.824 94 HG23 VAL 13 HG23 VAL 13 3.958 15.883 2.888 95 H VAL 14 H VAL 14 -0.191 13.786 3.862 96 HA VAL 14 HA VAL 14 -0.025 12.246 6.253 97 HB VAL 14 HB VAL 14 -0.914 11.413 3.488 98 HG11 VAL 14 HG11 VAL 14 -1.309 10.074 6.161 99 HG12 VAL 14 HG12 VAL 14 -2.071 9.577 4.649 100 HG13 VAL 14 HG13 VAL 14 -0.318 9.483 4.828 101 HG21 VAL 14 HG21 VAL 14 -2.402 12.512 5.861 102 HG22 VAL 14 HG22 VAL 14 -2.324 13.168 4.226 103 HG23 VAL 14 HG23 VAL 14 -3.200 11.668 4.534 104 H ASP 15 H ASP 15 1.806 11.324 6.899 105 HA ASP 15 HA ASP 15 3.728 10.346 4.933 106 HB2 ASP 15 HB2 ASP 15 5.335 10.335 6.643 107 HB3 ASP 15 HB3 ASP 15 4.337 11.752 7.002 108 H VAL 16 H VAL 16 4.691 8.216 5.173 109 HA VAL 16 HA VAL 16 3.096 6.244 6.621 110 HB VAL 16 HB VAL 16 3.727 5.810 3.708 111 HG11 VAL 16 HG11 VAL 16 2.809 3.786 3.962 112 HG12 VAL 16 HG12 VAL 16 3.025 4.051 5.693 113 HG13 VAL 16 HG13 VAL 16 1.476 4.413 4.931 114 HG21 VAL 16 HG21 VAL 16 1.171 6.840 4.932 115 HG22 VAL 16 HG22 VAL 16 2.219 7.691 3.799 116 HG23 VAL 16 HG23 VAL 16 1.329 6.262 3.273 117 H THR 17 H THR 17 5.550 7.003 7.408 118 HA THR 17 HA THR 17 7.674 6.305 7.858 119 HB THR 17 HB THR 17 7.964 4.023 8.328 120 HG1 THR 17 HG1 THR 17 6.910 2.397 7.232 121 HG21 THR 17 HG21 THR 17 6.179 5.011 9.670 122 HG22 THR 17 HG22 THR 17 5.853 3.306 9.364 123 HG23 THR 17 HG23 THR 17 4.992 4.547 8.454 124 H ILE 18 H ILE 18 9.369 4.444 6.889 125 HA ILE 18 HA ILE 18 9.558 5.099 4.021 126 HB ILE 18 HB ILE 18 11.925 4.551 5.798 127 HG12 ILE 18 HG12 ILE 18 10.749 6.494 6.697 128 HG13 ILE 18 HG13 ILE 18 12.265 6.984 5.923 129 HG21 ILE 18 HG21 ILE 18 12.551 4.284 3.571 130 HG22 ILE 18 HG22 ILE 18 11.530 5.613 3.025 131 HG23 ILE 18 HG23 ILE 18 13.005 5.950 3.929 132 HD11 ILE 18 HD11 ILE 18 9.564 7.170 4.614 133 HD12 ILE 18 HD12 ILE 18 10.384 8.501 5.431 134 HD13 ILE 18 HD13 ILE 18 11.096 7.780 3.987 135 H GLU 19 H GLU 19 10.604 3.533 2.660 136 HA GLU 19 HA GLU 19 10.744 1.424 1.806 137 HB2 GLU 19 HB2 GLU 19 11.901 1.060 4.570 138 HB3 GLU 19 HB3 GLU 19 11.877 -0.244 3.373 139 HG2 GLU 19 HG2 GLU 19 13.251 1.025 1.861 140 HG3 GLU 19 HG3 GLU 19 13.172 2.433 2.927 141 H ASP 20 H ASP 20 8.392 1.337 1.718 142 HA ASP 20 HA ASP 20 7.329 -0.742 3.512 143 HB2 ASP 20 HB2 ASP 20 5.330 0.364 3.837 144 HB3 ASP 20 HB3 ASP 20 6.458 1.724 3.777 145 H SER 21 H SER 21 5.108 -1.530 2.461 146 HA SER 21 HA SER 21 4.160 -2.787 0.820 147 HB2 SER 21 HB2 SER 21 4.834 -0.303 -0.362 148 HB3 SER 21 HB3 SER 21 5.264 -1.562 -1.535 149 HG SER 21 HG SER 21 3.094 -0.945 -1.784 150 H TYR 22 H TYR 22 6.893 -3.373 1.807 151 HA TYR 22 HA TYR 22 8.179 -4.610 -0.496 152 HB2 TYR 22 HB2 TYR 22 9.011 -3.714 2.141 153 HB3 TYR 22 HB3 TYR 22 9.575 -5.353 1.808 154 HD1 TYR 22 HD1 TYR 22 9.483 -1.964 0.252 155 HD2 TYR 22 HD2 TYR 22 11.520 -5.684 0.582 156 HE1 TYR 22 HE1 TYR 22 11.322 -1.070 -1.115 157 HE2 TYR 22 HE2 TYR 22 13.365 -4.802 -0.783 158 HH TYR 22 HH TYR 22 13.295 -2.536 -2.726 159 H SER 23 H SER 23 7.235 -5.695 2.771 160 HA SER 23 HA SER 23 6.439 -7.681 3.545 161 HB2 SER 23 HB2 SER 23 4.851 -7.157 1.485 162 HB3 SER 23 HB3 SER 23 5.665 -8.576 0.800 163 HG SER 23 HG SER 23 4.563 -8.644 3.396 164 H THR 24 H THR 24 6.796 -10.039 3.484 165 HA THR 24 HA THR 24 9.521 -10.614 2.848 166 HB THR 24 HB THR 24 8.047 -13.011 3.407 167 HG1 THR 24 HG1 THR 24 6.687 -12.387 4.906 168 HG21 THR 24 HG21 THR 24 9.499 -13.105 5.336 169 HG22 THR 24 HG22 THR 24 9.878 -11.389 5.177 170 HG23 THR 24 HG23 THR 24 10.421 -12.530 3.947 171 H GLU 25 H GLU 25 6.393 -11.599 1.517 172 HA GLU 25 HA GLU 25 7.735 -12.359 -0.959 173 HB2 GLU 25 HB2 GLU 25 5.959 -14.197 0.654 174 HB3 GLU 25 HB3 GLU 25 6.314 -14.455 -1.061 175 HG2 GLU 25 HG2 GLU 25 8.498 -14.193 0.986 176 HG3 GLU 25 HG3 GLU 25 7.708 -15.738 0.639 177 H SER 26 H SER 26 4.452 -12.885 0.306 178 HA SER 26 HA SER 26 3.106 -12.160 -2.003 179 HB2 SER 26 HB2 SER 26 2.081 -11.762 0.824 180 HB3 SER 26 HB3 SER 26 1.112 -11.997 -0.643 181 HG SER 26 HG SER 26 1.293 -13.945 0.495 182 H ALA 27 H ALA 27 2.310 -10.288 -2.843 183 HA ALA 27 HA ALA 27 3.050 -7.794 -1.455 184 HB1 ALA 27 HB1 ALA 27 3.899 -8.720 -3.984 185 HB2 ALA 27 HB2 ALA 27 2.811 -7.359 -4.263 186 HB3 ALA 27 HB3 ALA 27 4.225 -7.160 -3.227 187 H TRP 28 H TRP 28 1.710 -5.920 -1.993 188 HA TRP 28 HA TRP 28 -1.088 -6.726 -2.365 189 HB2 TRP 28 HB2 TRP 28 0.236 -4.419 -0.954 190 HB3 TRP 28 HB3 TRP 28 -1.459 -4.323 -1.431 191 HD1 TRP 28 HD1 TRP 28 0.629 -5.445 1.376 192 HE1 TRP 28 HE1 TRP 28 -0.741 -6.867 3.026 193 HE3 TRP 28 HE3 TRP 28 -3.493 -6.307 -1.522 194 HZ2 TRP 28 HZ2 TRP 28 -3.239 -8.180 3.091 195 HZ3 TRP 28 HZ3 TRP 28 -5.328 -7.656 -0.592 196 HH2 TRP 28 HH2 TRP 28 -5.202 -8.572 1.667 197 H VAL 29 H VAL 29 -2.301 -5.973 -4.010 198 HA VAL 29 HA VAL 29 -1.148 -3.886 -5.736 199 HB VAL 29 HB VAL 29 -2.189 -5.122 -7.685 200 HG11 VAL 29 HG11 VAL 29 0.252 -5.081 -7.121 201 HG12 VAL 29 HG12 VAL 29 0.022 -6.626 -6.298 202 HG13 VAL 29 HG13 VAL 29 -0.273 -6.496 -8.033 203 HG21 VAL 29 HG21 VAL 29 -2.798 -7.381 -7.496 204 HG22 VAL 29 HG22 VAL 29 -2.096 -7.525 -5.884 205 HG23 VAL 29 HG23 VAL 29 -3.573 -6.590 -6.123 206 H ARG 30 H ARG 30 -2.531 -2.349 -6.445 207 HA ARG 30 HA ARG 30 -5.327 -2.583 -5.565 208 HB2 ARG 30 HB2 ARG 30 -4.034 -0.729 -4.579 209 HB3 ARG 30 HB3 ARG 30 -3.728 -0.098 -6.205 210 HG2 ARG 30 HG2 ARG 30 -6.507 -0.396 -6.046 211 HG3 ARG 30 HG3 ARG 30 -6.001 0.295 -4.495 212 HD2 ARG 30 HD2 ARG 30 -6.491 2.084 -6.057 213 HD3 ARG 30 HD3 ARG 30 -4.761 2.049 -5.700 214 HE ARG 30 HE ARG 30 -5.273 0.516 -8.007 215 HH11 ARG 30 HH11 ARG 30 -5.201 3.819 -6.912 216 HH12 ARG 30 HH12 ARG 30 -4.810 4.465 -8.471 217 HH21 ARG 30 HH21 ARG 30 -4.758 1.354 -10.065 218 HH22 ARG 30 HH22 ARG 30 -4.559 3.061 -10.265 219 H CYS 31 H CYS 31 -6.996 -2.290 -6.973 220 HA CYS 31 HA CYS 31 -6.418 -2.605 -9.767 221 HB2 CYS 31 HB2 CYS 31 -8.311 -3.755 -8.666 222 HB3 CYS 31 HB3 CYS 31 -9.073 -2.191 -8.374 223 H ASP 32 H ASP 32 -6.720 -1.167 -11.419 224 HA ASP 32 HA ASP 32 -6.988 1.641 -10.621 225 HB2 ASP 32 HB2 ASP 32 -5.012 0.678 -12.018 226 HB3 ASP 32 HB3 ASP 32 -6.163 0.725 -13.360 227 H ASP 33 H ASP 33 -9.328 0.045 -10.722 228 HA ASP 33 HA ASP 33 -10.828 1.559 -12.710 229 HB2 ASP 33 HB2 ASP 33 -10.148 -0.762 -13.619 230 HB3 ASP 33 HB3 ASP 33 -11.329 -1.397 -12.466 231 H CYS 34 H CYS 34 -10.911 -0.731 -10.013 232 HA CYS 34 HA CYS 34 -13.419 0.533 -9.118 233 HB2 CYS 34 HB2 CYS 34 -14.025 -1.540 -8.033 234 HB3 CYS 34 HB3 CYS 34 -13.666 -1.857 -9.732 235 H PHE 35 H PHE 35 -10.149 0.021 -8.444 236 HA PHE 35 HA PHE 35 -8.807 0.603 -6.702 237 HB2 PHE 35 HB2 PHE 35 -11.230 1.964 -5.506 238 HB3 PHE 35 HB3 PHE 35 -9.530 2.331 -5.202 239 HD1 PHE 35 HD1 PHE 35 -8.141 2.948 -7.379 240 HD2 PHE 35 HD2 PHE 35 -12.358 3.349 -6.960 241 HE1 PHE 35 HE1 PHE 35 -8.156 4.629 -9.175 242 HE2 PHE 35 HE2 PHE 35 -12.380 5.030 -8.757 243 HZ PHE 35 HZ PHE 35 -10.277 5.671 -9.867 244 H LYS 36 H LYS 36 -8.925 -1.741 -6.253 245 HA LYS 36 HA LYS 36 -9.909 -2.176 -3.529 246 HB2 LYS 36 HB2 LYS 36 -11.304 -3.174 -5.635 247 HB3 LYS 36 HB3 LYS 36 -10.172 -4.501 -5.329 248 HG2 LYS 36 HG2 LYS 36 -11.984 -5.090 -4.026 249 HG3 LYS 36 HG3 LYS 36 -10.926 -4.268 -2.868 250 HD2 LYS 36 HD2 LYS 36 -12.204 -2.200 -3.126 251 HD3 LYS 36 HD3 LYS 36 -13.247 -2.994 -4.319 252 HE2 LYS 36 HE2 LYS 36 -13.473 -4.742 -2.266 253 HE3 LYS 36 HE3 LYS 36 -13.204 -3.235 -1.378 254 HZ1 LYS 36 HZ1 LYS 36 -15.594 -4.054 -2.246 255 HZ2 LYS 36 HZ2 LYS 36 -15.133 -3.052 -3.528 256 HZ3 LYS 36 HZ3 LYS 36 -15.202 -2.434 -1.955 257 H TRP 37 H TRP 37 -8.539 -3.304 -2.257 258 HA TRP 37 HA TRP 37 -5.893 -3.792 -3.198 259 HB2 TRP 37 HB2 TRP 37 -7.334 -4.048 -0.597 260 HB3 TRP 37 HB3 TRP 37 -5.836 -4.957 -0.794 261 HD1 TRP 37 HD1 TRP 37 -6.751 -1.937 0.748 262 HE1 TRP 37 HE1 TRP 37 -4.895 -0.156 0.692 263 HE3 TRP 37 HE3 TRP 37 -3.824 -3.932 -2.938 264 HZ2 TRP 37 HZ2 TRP 37 -2.505 0.338 -0.726 265 HZ3 TRP 37 HZ3 TRP 37 -1.770 -2.742 -3.586 266 HH2 TRP 37 HH2 TRP 37 -1.125 -0.651 -2.502 267 H ARG 38 H ARG 38 -4.842 -5.702 -3.596 268 HA ARG 38 HA ARG 38 -6.349 -8.200 -3.352 269 HB2 ARG 38 HB2 ARG 38 -6.079 -6.852 -5.781 270 HB3 ARG 38 HB3 ARG 38 -4.849 -8.124 -5.836 271 HG2 ARG 38 HG2 ARG 38 -6.823 -9.004 -6.824 272 HG3 ARG 38 HG3 ARG 38 -6.627 -9.770 -5.238 273 HD2 ARG 38 HD2 ARG 38 -8.375 -8.558 -4.279 274 HD3 ARG 38 HD3 ARG 38 -8.302 -7.307 -5.528 275 HE ARG 38 HE ARG 38 -9.056 -9.909 -6.512 276 HH11 ARG 38 HH11 ARG 38 -10.172 -6.906 -5.148 277 HH12 ARG 38 HH12 ARG 38 -11.778 -7.066 -5.780 278 HH21 ARG 38 HH21 ARG 38 -11.166 -10.129 -7.350 279 HH22 ARG 38 HH22 ARG 38 -12.342 -8.899 -7.031 280 H ARG 39 H ARG 39 -5.138 -9.713 -2.433 281 HA ARG 39 HA ARG 39 -2.287 -9.282 -2.128 282 HB2 ARG 39 HB2 ARG 39 -3.908 -10.079 -0.299 283 HB3 ARG 39 HB3 ARG 39 -3.831 -11.653 -1.104 284 HG2 ARG 39 HG2 ARG 39 -1.188 -11.090 -0.867 285 HG3 ARG 39 HG3 ARG 39 -1.843 -10.293 0.572 286 HD2 ARG 39 HD2 ARG 39 -3.151 -12.561 0.863 287 HD3 ARG 39 HD3 ARG 39 -1.849 -13.184 -0.161 288 HE ARG 39 HE ARG 39 -0.652 -11.721 1.875 289 HH11 ARG 39 HH11 ARG 39 -2.613 -14.578 1.533 290 HH12 ARG 39 HH12 ARG 39 -1.956 -15.354 2.935 291 HH21 ARG 39 HH21 ARG 39 0.220 -12.734 3.723 292 HH22 ARG 39 HH22 ARG 39 -0.345 -14.305 4.180 293 H ILE 40 H ILE 40 -0.851 -10.059 -3.511 294 HA ILE 40 HA ILE 40 -1.455 -12.584 -4.905 295 HB ILE 40 HB ILE 40 -0.505 -11.803 -6.929 296 HG12 ILE 40 HG12 ILE 40 0.305 -9.343 -5.362 297 HG13 ILE 40 HG13 ILE 40 1.384 -10.560 -6.066 298 HG21 ILE 40 HG21 ILE 40 -2.171 -9.521 -5.880 299 HG22 ILE 40 HG22 ILE 40 -1.977 -10.016 -7.560 300 HG23 ILE 40 HG23 ILE 40 -2.825 -11.065 -6.425 301 HD11 ILE 40 HD11 ILE 40 -0.295 -8.544 -7.526 302 HD12 ILE 40 HD12 ILE 40 1.464 -8.672 -7.484 303 HD13 ILE 40 HD13 ILE 40 0.510 -9.897 -8.320 304 HA PRO 41 HA PRO 41 2.438 -14.053 -3.501 305 HB2 PRO 41 HB2 PRO 41 3.110 -15.758 -5.537 306 HB3 PRO 41 HB3 PRO 41 1.837 -16.095 -4.365 307 HG2 PRO 41 HG2 PRO 41 1.622 -14.964 -7.135 308 HG3 PRO 41 HG3 PRO 41 0.634 -16.251 -6.349 309 HD2 PRO 41 HD2 PRO 41 -0.235 -13.691 -6.611 310 HD3 PRO 41 HD3 PRO 41 -0.657 -14.709 -5.223 311 H ALA 42 H ALA 42 4.697 -13.935 -3.847 312 HA ALA 42 HA ALA 42 5.567 -11.666 -5.296 313 HB1 ALA 42 HB1 ALA 42 7.566 -11.952 -4.254 314 HB2 ALA 42 HB2 ALA 42 6.571 -12.960 -3.203 315 HB3 ALA 42 HB3 ALA 42 7.553 -13.703 -4.466 316 H SER 43 H SER 43 4.946 -14.837 -6.273 317 HA SER 43 HA SER 43 6.940 -15.032 -8.326 318 HB2 SER 43 HB2 SER 43 5.253 -16.828 -7.077 319 HB3 SER 43 HB3 SER 43 4.536 -16.670 -8.691 320 HG SER 43 HG SER 43 6.380 -17.400 -9.605 321 H VAL 44 H VAL 44 3.565 -14.038 -8.155 322 HA VAL 44 HA VAL 44 3.484 -13.548 -11.029 323 HB VAL 44 HB VAL 44 1.536 -14.568 -9.791 324 HG11 VAL 44 HG11 VAL 44 1.167 -11.747 -8.790 325 HG12 VAL 44 HG12 VAL 44 0.064 -13.101 -8.542 326 HG13 VAL 44 HG13 VAL 44 1.665 -13.121 -7.805 327 HG21 VAL 44 HG21 VAL 44 1.451 -12.278 -11.650 328 HG22 VAL 44 HG22 VAL 44 0.804 -13.909 -11.828 329 HG23 VAL 44 HG23 VAL 44 -0.075 -12.709 -10.879 330 H VAL 45 H VAL 45 3.758 -11.831 -8.013 331 HA VAL 45 HA VAL 45 2.995 -9.268 -8.745 332 HB VAL 45 HB VAL 45 3.839 -10.208 -6.455 333 HG11 VAL 45 HG11 VAL 45 6.369 -8.846 -7.324 334 HG12 VAL 45 HG12 VAL 45 6.079 -9.829 -5.888 335 HG13 VAL 45 HG13 VAL 45 6.153 -10.589 -7.478 336 HG21 VAL 45 HG21 VAL 45 4.737 -7.646 -6.123 337 HG22 VAL 45 HG22 VAL 45 3.749 -7.509 -7.577 338 HG23 VAL 45 HG23 VAL 45 3.046 -8.144 -6.090 339 H GLY 46 H GLY 46 5.813 -11.082 -9.644 340 HA2 GLY 46 HA2 GLY 46 7.078 -8.683 -10.775 341 HA3 GLY 46 HA3 GLY 46 7.859 -10.238 -10.539 342 H SER 47 H SER 47 4.687 -10.194 -11.897 343 HA SER 47 HA SER 47 5.789 -10.487 -14.606 344 HB2 SER 47 HB2 SER 47 4.658 -12.576 -13.005 345 HB3 SER 47 HB3 SER 47 3.564 -12.245 -14.360 346 HG SER 47 HG SER 47 5.754 -13.653 -14.445 347 H ILE 48 H ILE 48 2.972 -9.898 -12.570 348 HA ILE 48 HA ILE 48 1.186 -9.183 -14.635 349 HB ILE 48 HB ILE 48 -0.129 -8.066 -12.859 350 HG12 ILE 48 HG12 ILE 48 1.167 -8.883 -10.522 351 HG13 ILE 48 HG13 ILE 48 2.442 -8.152 -11.510 352 HG21 ILE 48 HG21 ILE 48 -0.952 -10.056 -12.287 353 HG22 ILE 48 HG22 ILE 48 0.393 -10.756 -13.188 354 HG23 ILE 48 HG23 ILE 48 0.530 -10.514 -11.446 355 HD11 ILE 48 HD11 ILE 48 0.707 -6.227 -11.816 356 HD12 ILE 48 HD12 ILE 48 0.017 -6.895 -10.336 357 HD13 ILE 48 HD13 ILE 48 1.688 -6.330 -10.354 358 H ASP 49 H ASP 49 3.780 -7.496 -13.108 359 HA ASP 49 HA ASP 49 2.903 -4.853 -13.773 360 HB2 ASP 49 HB2 ASP 49 5.237 -6.096 -12.492 361 HB3 ASP 49 HB3 ASP 49 5.628 -4.662 -13.451 362 H GLU 50 H GLU 50 2.410 -4.917 -15.983 363 HA GLU 50 HA GLU 50 4.600 -5.489 -17.836 364 HB2 GLU 50 HB2 GLU 50 2.893 -5.345 -19.598 365 HB3 GLU 50 HB3 GLU 50 2.449 -6.513 -18.345 366 HG2 GLU 50 HG2 GLU 50 0.992 -4.784 -17.311 367 HG3 GLU 50 HG3 GLU 50 1.352 -3.734 -18.689 368 H SER 51 H SER 51 2.736 -2.862 -16.543 369 HA SER 51 HA SER 51 4.390 -0.984 -18.078 370 HB2 SER 51 HB2 SER 51 1.393 -0.759 -17.662 371 HB3 SER 51 HB3 SER 51 2.420 0.508 -18.354 372 HG SER 51 HG SER 51 1.360 -1.657 -19.559 373 H SER 52 H SER 52 1.833 -0.901 -15.590 374 HA SER 52 HA SER 52 3.479 -0.192 -13.451 375 HB2 SER 52 HB2 SER 52 2.938 1.984 -15.274 376 HB3 SER 52 HB3 SER 52 2.215 2.317 -13.691 377 HG SER 52 HG SER 52 4.311 3.040 -13.618 378 H ARG 53 H ARG 53 0.349 0.098 -15.001 379 HA ARG 53 HA ARG 53 -1.036 0.281 -12.452 380 HB2 ARG 53 HB2 ARG 53 -3.067 0.474 -13.762 381 HB3 ARG 53 HB3 ARG 53 -1.836 1.577 -14.394 382 HG2 ARG 53 HG2 ARG 53 -1.293 -0.262 -16.089 383 HG3 ARG 53 HG3 ARG 53 -2.832 -0.984 -15.589 384 HD2 ARG 53 HD2 ARG 53 -4.091 0.843 -16.366 385 HD3 ARG 53 HD3 ARG 53 -2.666 1.888 -16.436 386 HE ARG 53 HE ARG 53 -2.266 1.120 -18.545 387 HH11 ARG 53 HH11 ARG 53 -4.336 -1.150 -16.906 388 HH12 ARG 53 HH12 ARG 53 -4.584 -2.136 -18.309 389 HH21 ARG 53 HH21 ARG 53 -2.587 -0.169 -20.398 390 HH22 ARG 53 HH22 ARG 53 -3.588 -1.577 -20.295 391 H TRP 54 H TRP 54 -3.170 -1.194 -12.507 392 HA TRP 54 HA TRP 54 -2.843 -3.837 -13.515 393 HB2 TRP 54 HB2 TRP 54 -1.183 -4.010 -11.752 394 HB3 TRP 54 HB3 TRP 54 -2.331 -3.380 -10.570 395 HD1 TRP 54 HD1 TRP 54 -1.370 -6.585 -12.349 396 HE1 TRP 54 HE1 TRP 54 -2.706 -8.543 -11.345 397 HE3 TRP 54 HE3 TRP 54 -4.639 -3.931 -9.450 398 HZ2 TRP 54 HZ2 TRP 54 -4.861 -8.912 -9.560 399 HZ3 TRP 54 HZ3 TRP 54 -6.307 -5.163 -8.125 400 HH2 TRP 54 HH2 TRP 54 -6.415 -7.601 -8.181 401 H ILE 55 H ILE 55 -4.703 -5.064 -13.306 402 HA ILE 55 HA ILE 55 -6.916 -3.854 -11.790 403 HB ILE 55 HB ILE 55 -8.412 -4.690 -13.705 404 HG12 ILE 55 HG12 ILE 55 -5.725 -4.559 -15.097 405 HG13 ILE 55 HG13 ILE 55 -6.756 -5.990 -14.915 406 HG21 ILE 55 HG21 ILE 55 -7.982 -2.322 -13.142 407 HG22 ILE 55 HG22 ILE 55 -6.601 -2.338 -14.238 408 HG23 ILE 55 HG23 ILE 55 -8.230 -2.582 -14.868 409 HD11 ILE 55 HD11 ILE 55 -7.494 -5.495 -16.955 410 HD12 ILE 55 HD12 ILE 55 -8.437 -4.235 -16.158 411 HD13 ILE 55 HD13 ILE 55 -6.876 -3.845 -16.881 412 H CYS 56 H CYS 56 -8.795 -5.414 -11.586 413 HA CYS 56 HA CYS 56 -7.952 -7.747 -10.293 414 HB2 CYS 56 HB2 CYS 56 -10.697 -7.229 -11.457 415 HB3 CYS 56 HB3 CYS 56 -10.299 -8.328 -10.135 416 H MET 57 H MET 57 -9.519 -7.366 -13.469 417 HA MET 57 HA MET 57 -9.518 -10.064 -14.189 418 HB2 MET 57 HB2 MET 57 -9.686 -9.248 -16.530 419 HB3 MET 57 HB3 MET 57 -10.824 -8.459 -15.427 420 HG2 MET 57 HG2 MET 57 -8.599 -6.811 -15.347 421 HG3 MET 57 HG3 MET 57 -8.703 -7.315 -17.036 422 HE1 MET 57 HE1 MET 57 -11.756 -6.267 -14.343 423 HE2 MET 57 HE2 MET 57 -10.132 -5.625 -14.096 424 HE3 MET 57 HE3 MET 57 -11.416 -4.572 -14.692 425 H ASN 58 H ASN 58 -6.940 -7.809 -13.992 426 HA ASN 58 HA ASN 58 -5.194 -9.220 -15.809 427 HB2 ASN 58 HB2 ASN 58 -5.072 -6.752 -14.178 428 HB3 ASN 58 HB3 ASN 58 -3.531 -7.585 -14.417 429 HD21 ASN 58 HD21 ASN 58 -6.301 -7.314 -16.594 430 HD22 ASN 58 HD22 ASN 58 -5.446 -6.519 -17.867 431 H ASN 59 H ASN 59 -6.222 -9.694 -12.662 432 HA ASN 59 HA ASN 59 -3.892 -10.550 -11.353 433 HB2 ASN 59 HB2 ASN 59 -6.242 -10.118 -10.389 434 HB3 ASN 59 HB3 ASN 59 -6.605 -11.774 -10.886 435 HD21 ASN 59 HD21 ASN 59 -6.969 -11.798 -8.467 436 HD22 ASN 59 HD22 ASN 59 -5.624 -12.276 -7.494 437 H SER 60 H SER 60 -3.038 -12.625 -11.002 438 HA SER 60 HA SER 60 -3.062 -14.316 -13.299 439 HB2 SER 60 HB2 SER 60 -1.001 -14.551 -12.388 440 HB3 SER 60 HB3 SER 60 -1.579 -14.153 -10.760 441 HG SER 60 HG SER 60 -0.866 -16.351 -10.986 442 H ASP 61 H ASP 61 -4.771 -14.266 -10.293 443 HA ASP 61 HA ASP 61 -5.522 -16.995 -10.191 444 HB2 ASP 61 HB2 ASP 61 -5.794 -14.829 -8.520 445 HB3 ASP 61 HB3 ASP 61 -7.455 -15.092 -9.071 446 H LYS 62 H LYS 62 -8.223 -17.112 -9.983 447 HA LYS 62 HA LYS 62 -9.229 -16.254 -12.613 448 HB2 LYS 62 HB2 LYS 62 -9.894 -18.927 -11.378 449 HB3 LYS 62 HB3 LYS 62 -10.203 -18.379 -13.034 450 HG2 LYS 62 HG2 LYS 62 -8.395 -19.653 -13.478 451 HG3 LYS 62 HG3 LYS 62 -7.537 -18.174 -13.009 452 HD2 LYS 62 HD2 LYS 62 -6.512 -20.001 -11.853 453 HD3 LYS 62 HD3 LYS 62 -7.439 -19.059 -10.672 454 HE2 LYS 62 HE2 LYS 62 -8.979 -20.710 -10.336 455 HE3 LYS 62 HE3 LYS 62 -8.852 -21.296 -12.000 456 HZ1 LYS 62 HZ1 LYS 62 -7.234 -22.731 -11.464 457 HZ2 LYS 62 HZ2 LYS 62 -7.814 -22.557 -9.885 458 HZ3 LYS 62 HZ3 LYS 62 -6.471 -21.664 -10.396 459 H ARG 63 H ARG 63 -10.178 -17.605 -9.456 460 HA ARG 63 HA ARG 63 -12.875 -16.690 -9.668 461 HB2 ARG 63 HB2 ARG 63 -11.213 -18.086 -7.660 462 HB3 ARG 63 HB3 ARG 63 -12.551 -17.127 -7.011 463 HG2 ARG 63 HG2 ARG 63 -13.958 -18.771 -7.470 464 HG3 ARG 63 HG3 ARG 63 -13.572 -18.605 -9.190 465 HD2 ARG 63 HD2 ARG 63 -11.596 -20.093 -8.841 466 HD3 ARG 63 HD3 ARG 63 -12.145 -20.336 -7.177 467 HE ARG 63 HE ARG 63 -14.194 -20.943 -9.063 468 HH11 ARG 63 HH11 ARG 63 -11.296 -22.179 -7.582 469 HH12 ARG 63 HH12 ARG 63 -11.737 -23.840 -7.801 470 HH21 ARG 63 HH21 ARG 63 -14.785 -23.126 -9.358 471 HH22 ARG 63 HH22 ARG 63 -13.721 -24.378 -8.812 472 H PHE 64 H PHE 64 -9.906 -15.298 -8.602 473 HA PHE 64 HA PHE 64 -11.377 -12.981 -7.526 474 HB2 PHE 64 HB2 PHE 64 -8.721 -14.181 -6.752 475 HB3 PHE 64 HB3 PHE 64 -9.122 -12.508 -6.357 476 HD1 PHE 64 HD2 PHE 64 -10.388 -15.976 -5.942 477 HD2 PHE 64 HD1 PHE 64 -10.309 -11.998 -4.434 478 HE1 PHE 64 HE2 PHE 64 -11.587 -16.721 -3.927 479 HE2 PHE 64 HE1 PHE 64 -11.507 -12.735 -2.416 480 HZ PHE 64 HZ PHE 64 -12.149 -15.098 -2.160 481 H ALA 65 H ALA 65 -10.483 -13.673 -10.317 482 HA ALA 65 HA ALA 65 -8.731 -11.352 -10.796 483 HB1 ALA 65 HB1 ALA 65 -8.092 -13.790 -11.510 484 HB2 ALA 65 HB2 ALA 65 -9.165 -13.450 -12.868 485 HB3 ALA 65 HB3 ALA 65 -7.759 -12.425 -12.577 486 H ASP 66 H ASP 66 -10.917 -10.229 -10.495 487 HA ASP 66 HA ASP 66 -11.787 -9.236 -12.956 488 HB2 ASP 66 HB2 ASP 66 -13.199 -11.626 -12.013 489 HB3 ASP 66 HB3 ASP 66 -14.272 -10.256 -12.330 490 H CYS 67 H CYS 67 -13.044 -7.415 -12.715 491 HA CYS 67 HA CYS 67 -13.065 -6.188 -10.177 492 HB2 CYS 67 HB2 CYS 67 -14.150 -5.524 -12.879 493 HB3 CYS 67 HB3 CYS 67 -14.753 -4.608 -11.496 494 H SER 68 H SER 68 -15.336 -8.220 -11.798 495 HA SER 68 HA SER 68 -17.649 -7.429 -10.324 496 HB2 SER 68 HB2 SER 68 -18.228 -9.970 -11.139 497 HB3 SER 68 HB3 SER 68 -18.421 -8.527 -12.151 498 HG SER 68 HG SER 68 -17.174 -10.309 -13.090 499 H LYS 69 H LYS 69 -15.004 -9.592 -9.757 500 HA LYS 69 HA LYS 69 -16.197 -11.259 -7.816 501 HB2 LYS 69 HB2 LYS 69 -13.292 -10.444 -8.062 502 HB3 LYS 69 HB3 LYS 69 -13.916 -11.850 -7.183 503 HG2 LYS 69 HG2 LYS 69 -14.012 -11.402 -10.167 504 HG3 LYS 69 HG3 LYS 69 -12.993 -12.556 -9.290 505 HD2 LYS 69 HD2 LYS 69 -14.629 -14.034 -9.730 506 HD3 LYS 69 HD3 LYS 69 -15.472 -13.237 -8.389 507 HE2 LYS 69 HE2 LYS 69 -16.950 -12.177 -9.749 508 HE3 LYS 69 HE3 LYS 69 -15.752 -11.953 -11.032 509 HZ1 LYS 69 HZ1 LYS 69 -17.421 -14.319 -10.467 510 HZ2 LYS 69 HZ2 LYS 69 -15.984 -14.474 -11.344 511 HZ3 LYS 69 HZ3 LYS 69 -17.223 -13.480 -11.924 512 H SER 70 H SER 70 -14.769 -11.193 -5.546 513 HA SER 70 HA SER 70 -15.441 -8.565 -4.394 514 HB2 SER 70 HB2 SER 70 -15.341 -10.226 -2.229 515 HB3 SER 70 HB3 SER 70 -16.820 -9.845 -3.128 516 HG SER 70 HG SER 70 -15.431 -12.197 -2.974 517 H GLN 71 H GLN 71 -14.204 -8.258 -2.214 518 HA GLN 71 HA GLN 71 -11.421 -8.179 -2.879 519 HB2 GLN 71 HB2 GLN 71 -12.732 -6.435 -1.561 520 HB3 GLN 71 HB3 GLN 71 -12.622 -7.549 -0.188 521 HG2 GLN 71 HG2 GLN 71 -10.312 -7.321 -0.008 522 HG3 GLN 71 HG3 GLN 71 -10.163 -6.671 -1.647 523 HE21 GLN 71 HE21 GLN 71 -8.870 -5.263 0.087 524 HE22 GLN 71 HE22 GLN 71 -9.697 -3.816 0.540 525 H GLU 72 H GLU 72 -9.728 -8.924 -1.334 526 HA GLU 72 HA GLU 72 -10.285 -11.688 -0.581 527 HB2 GLU 72 HB2 GLU 72 -7.626 -10.248 -0.588 528 HB3 GLU 72 HB3 GLU 72 -7.900 -11.996 -0.516 529 HG2 GLU 72 HG2 GLU 72 -9.209 -11.201 -2.834 530 HG3 GLU 72 HG3 GLU 72 -7.718 -10.249 -2.810 531 H MET 73 H MET 73 -9.179 -8.651 0.830 532 HA MET 73 HA MET 73 -9.774 -9.746 3.484 533 HB2 MET 73 HB2 MET 73 -7.237 -8.354 2.631 534 HB3 MET 73 HB3 MET 73 -7.755 -8.410 4.323 535 HG2 MET 73 HG2 MET 73 -7.938 -11.031 3.683 536 HG3 MET 73 HG3 MET 73 -6.622 -10.522 2.623 537 HE1 MET 73 HE1 MET 73 -5.581 -8.065 5.413 538 HE2 MET 73 HE2 MET 73 -4.110 -8.916 4.946 539 HE3 MET 73 HE3 MET 73 -5.277 -8.432 3.715 540 H SER 74 H SER 74 -9.927 -7.977 5.149 541 HA SER 74 HA SER 74 -11.588 -5.869 4.084 542 HB2 SER 74 HB2 SER 74 -10.762 -6.387 6.956 543 HB3 SER 74 HB3 SER 74 -12.089 -5.350 6.407 544 HG SER 74 HG SER 74 -13.295 -7.059 5.994 545 H ASN 75 H ASN 75 -11.269 -3.630 4.433 546 HA ASN 75 HA ASN 75 -8.782 -2.627 3.806 547 HB2 ASN 75 HB2 ASN 75 -11.354 -1.558 4.527 548 HB3 ASN 75 HB3 ASN 75 -10.083 -0.620 5.319 549 HD21 ASN 75 HD21 ASN 75 -10.093 -2.265 2.188 550 HD22 ASN 75 HD22 ASN 75 -9.776 -0.851 1.248 551 H GLU 76 H GLU 76 -10.235 -3.043 7.005 552 HA GLU 76 HA GLU 76 -8.257 -1.770 8.516 553 HB2 GLU 76 HB2 GLU 76 -9.054 -3.216 10.396 554 HB3 GLU 76 HB3 GLU 76 -10.342 -2.351 9.544 555 HG2 GLU 76 HG2 GLU 76 -10.736 -4.447 8.207 556 HG3 GLU 76 HG3 GLU 76 -9.634 -5.262 9.327 557 H GLU 77 H GLU 77 -8.565 -5.186 7.579 558 HA GLU 77 HA GLU 77 -6.267 -6.119 8.881 559 HB2 GLU 77 HB2 GLU 77 -7.616 -7.121 6.364 560 HB3 GLU 77 HB3 GLU 77 -6.370 -8.007 7.257 561 HG2 GLU 77 HG2 GLU 77 -8.110 -7.529 9.255 562 HG3 GLU 77 HG3 GLU 77 -9.218 -7.606 7.879 563 H ILE 78 H ILE 78 -6.717 -4.866 5.596 564 HA ILE 78 HA ILE 78 -4.060 -5.299 4.734 565 HB ILE 78 HB ILE 78 -5.975 -3.191 3.731 566 HG12 ILE 78 HG12 ILE 78 -5.581 -5.962 2.600 567 HG13 ILE 78 HG13 ILE 78 -6.834 -5.603 3.800 568 HG21 ILE 78 HG21 ILE 78 -3.474 -4.426 2.628 569 HG22 ILE 78 HG22 ILE 78 -4.674 -3.672 1.580 570 HG23 ILE 78 HG23 ILE 78 -3.872 -2.720 2.828 571 HD11 ILE 78 HD11 ILE 78 -8.193 -4.816 2.245 572 HD12 ILE 78 HD12 ILE 78 -6.956 -3.709 1.649 573 HD13 ILE 78 HD13 ILE 78 -7.033 -5.358 1.033 574 H ASN 79 H ASN 79 -5.690 -2.458 6.104 575 HA ASN 79 HA ASN 79 -3.565 -0.657 5.909 576 HB2 ASN 79 HB2 ASN 79 -5.115 0.707 6.755 577 HB3 ASN 79 HB3 ASN 79 -6.152 -0.689 7.066 578 HD21 ASN 79 HD21 ASN 79 -6.435 -1.408 9.107 579 HD22 ASN 79 HD22 ASN 79 -5.736 -0.666 10.502 580 H GLU 80 H GLU 80 -4.402 -2.956 8.467 581 HA GLU 80 HA GLU 80 -2.240 -2.158 10.171 582 HB2 GLU 80 HB2 GLU 80 -2.893 -3.977 11.596 583 HB3 GLU 80 HB3 GLU 80 -4.358 -3.178 11.004 584 HG2 GLU 80 HG2 GLU 80 -4.806 -4.928 9.457 585 HG3 GLU 80 HG3 GLU 80 -3.222 -5.659 9.750 586 H GLU 81 H GLU 81 -2.694 -4.489 7.628 587 HA GLU 81 HA GLU 81 -0.505 -6.174 8.206 588 HB2 GLU 81 HB2 GLU 81 -2.302 -6.824 6.675 589 HB3 GLU 81 HB3 GLU 81 -1.802 -5.554 5.546 590 HG2 GLU 81 HG2 GLU 81 0.020 -6.703 4.810 591 HG3 GLU 81 HG3 GLU 81 0.233 -7.551 6.348 592 H LEU 82 H LEU 82 -0.809 -3.461 5.916 593 HA LEU 82 HA LEU 82 2.031 -3.467 5.395 594 HB2 LEU 82 HB2 LEU 82 -0.086 -1.482 4.552 595 HB3 LEU 82 HB3 LEU 82 1.563 -1.598 3.915 596 HG LEU 82 HG LEU 82 0.322 -4.126 3.552 597 HD11 LEU 82 HD11 LEU 82 -1.377 -2.897 1.822 598 HD12 LEU 82 HD12 LEU 82 -1.494 -1.850 3.235 599 HD13 LEU 82 HD13 LEU 82 -1.841 -3.573 3.383 600 HD21 LEU 82 HD21 LEU 82 1.570 -1.987 1.961 601 HD22 LEU 82 HD22 LEU 82 0.470 -3.048 1.081 602 HD23 LEU 82 HD23 LEU 82 1.849 -3.728 1.945 603 H GLY 83 H GLY 83 -0.224 -1.733 7.407 604 HA2 GLY 83 HA2 GLY 83 0.404 -0.556 9.353 605 HA3 GLY 83 HA3 GLY 83 2.028 -0.393 8.704 606 H ILE 84 H ILE 84 -0.652 0.341 6.651 607 HA ILE 84 HA ILE 84 0.121 3.167 6.721 608 HB ILE 84 HB ILE 84 -1.011 3.396 4.589 609 HG12 ILE 84 HG12 ILE 84 -1.684 0.456 4.881 610 HG13 ILE 84 HG13 ILE 84 -2.841 1.790 5.025 611 HG21 ILE 84 HG21 ILE 84 0.347 1.060 3.720 612 HG22 ILE 84 HG22 ILE 84 0.891 2.735 3.660 613 HG23 ILE 84 HG23 ILE 84 1.242 1.744 5.076 614 HD11 ILE 84 HD11 ILE 84 -1.253 1.252 2.533 615 HD12 ILE 84 HD12 ILE 84 -2.871 0.617 2.827 616 HD13 ILE 84 HD13 ILE 84 -2.611 2.358 2.731 617 H GLY 85 H GLY 85 -2.032 4.474 5.825 618 HA2 GLY 85 HA2 GLY 85 -4.190 3.828 7.732 619 HA3 GLY 85 HA3 GLY 85 -3.553 5.459 7.600 620 H GLN 86 H GLN 86 -5.414 2.961 5.994 621 HA GLN 86 HA GLN 86 -6.075 4.632 3.740 622 HB2 GLN 86 HB2 GLN 86 -7.605 2.158 4.467 623 HB3 GLN 86 HB3 GLN 86 -7.190 2.793 2.866 624 HG2 GLN 86 HG2 GLN 86 -4.781 2.236 3.397 625 HG3 GLN 86 HG3 GLN 86 -5.400 1.355 4.801 626 HE21 GLN 86 HE21 GLN 86 -4.289 -0.428 3.664 627 HE22 GLN 86 HE22 GLN 86 -5.182 -1.321 2.486 628 H ASP 87 H ASP 87 -7.157 4.364 6.914 629 HA ASP 87 HA ASP 87 -9.889 5.190 6.324 630 HB2 ASP 87 HB2 ASP 87 -10.098 5.181 8.856 631 HB3 ASP 87 HB3 ASP 87 -9.758 3.620 8.098 632 H GLU 88 H GLU 88 -7.248 6.804 6.019 633 HA GLU 88 HA GLU 88 -7.330 8.964 7.810 634 HB2 GLU 88 HB2 GLU 88 -6.048 10.195 6.066 635 HB3 GLU 88 HB3 GLU 88 -5.381 8.599 6.445 636 HG2 GLU 88 HG2 GLU 88 -6.550 7.694 4.438 637 HG3 GLU 88 HG3 GLU 88 -7.006 9.355 4.031 638 H ALA 89 H ALA 89 -8.858 8.499 4.647 639 HA ALA 89 HA ALA 89 -10.487 9.655 3.546 640 HB1 ALA 89 HB1 ALA 89 -12.102 10.751 5.465 641 HB2 ALA 89 HB2 ALA 89 -12.209 9.099 4.857 642 HB3 ALA 89 HB3 ALA 89 -11.311 9.439 6.338 643 H ASP 90 H ASP 90 -9.062 11.247 2.704 644 HA ASP 90 HA ASP 90 -9.609 13.918 3.765 645 HB2 ASP 90 HB2 ASP 90 -7.457 13.398 4.723 646 HB3 ASP 90 HB3 ASP 90 -6.851 12.838 3.160 647 H ALA 91 H ALA 91 -7.420 12.689 1.247 648 HA ALA 91 HA ALA 91 -9.195 13.612 -0.852 649 HB1 ALA 91 HB1 ALA 91 -6.443 14.816 -0.613 650 HB2 ALA 91 HB2 ALA 91 -7.667 15.176 -1.832 651 HB3 ALA 91 HB3 ALA 91 -7.933 15.637 -0.150 652 H TYR 92 H TYR 92 -7.690 11.162 0.170 653 HA TYR 92 HA TYR 92 -5.655 10.387 -1.527 654 HB2 TYR 92 HB2 TYR 92 -7.251 9.166 0.425 655 HB3 TYR 92 HB3 TYR 92 -7.466 8.180 -1.023 656 HD1 TYR 92 HD1 TYR 92 -4.844 9.609 1.190 657 HD2 TYR 92 HD2 TYR 92 -5.829 6.642 -1.696 658 HE1 TYR 92 HE1 TYR 92 -2.689 8.499 1.605 659 HE2 TYR 92 HE2 TYR 92 -3.677 5.523 -1.289 660 HH TYR 92 HH TYR 92 -1.996 5.386 0.570 661 H ASP 93 H ASP 93 -5.505 9.875 -3.615 662 HA ASP 93 HA ASP 93 -7.455 8.597 -5.154 663 HB2 ASP 93 HB2 ASP 93 -7.951 11.389 -4.799 664 HB3 ASP 93 HB3 ASP 93 -7.486 11.117 -6.482 665 H CYS 94 H CYS 94 -5.669 7.462 -5.870 666 HA CYS 94 HA CYS 94 -3.277 8.520 -6.819 667 HB2 CYS 94 HB2 CYS 94 -4.654 5.953 -6.892 668 HB3 CYS 94 HB3 CYS 94 -3.703 6.234 -8.351 669 H ASP 95 H ASP 95 -2.538 8.229 -9.177 670 HA ASP 95 HA ASP 95 -2.607 8.965 -11.328 671 HB2 ASP 95 HB2 ASP 95 -5.598 8.572 -11.275 672 HB3 ASP 95 HB3 ASP 95 -4.493 8.422 -12.646 673 H ALA 96 H ALA 96 -2.853 10.864 -9.190 674 HA ALA 96 HA ALA 96 -4.795 12.843 -9.942 675 HB1 ALA 96 HB1 ALA 96 -3.265 14.247 -8.331 676 HB2 ALA 96 HB2 ALA 96 -4.346 13.001 -7.704 677 HB3 ALA 96 HB3 ALA 96 -2.628 12.657 -7.910 678 H ALA 97 H ALA 97 -1.418 12.220 -10.611 679 HA ALA 97 HA ALA 97 -0.701 14.742 -11.622 680 HB1 ALA 97 HB1 ALA 97 0.902 12.949 -11.034 681 HB2 ALA 97 HB2 ALA 97 0.393 12.064 -12.473 682 HB3 ALA 97 HB3 ALA 97 1.183 13.633 -12.635 683 H LYS 98 H LYS 98 -2.385 12.033 -13.058 684 HA LYS 98 HA LYS 98 -3.456 11.761 -15.046 685 HB2 LYS 98 HB2 LYS 98 -3.944 14.391 -14.216 686 HB3 LYS 98 HB3 LYS 98 -3.525 14.516 -15.931 687 HG2 LYS 98 HG2 LYS 98 -5.821 14.258 -15.991 688 HG3 LYS 98 HG3 LYS 98 -5.231 12.607 -16.256 689 HD2 LYS 98 HD2 LYS 98 -6.909 12.315 -14.665 690 HD3 LYS 98 HD3 LYS 98 -5.425 12.354 -13.697 691 HE2 LYS 98 HE2 LYS 98 -5.854 14.471 -12.852 692 HE3 LYS 98 HE3 LYS 98 -6.909 14.895 -14.209 693 HZ1 LYS 98 HZ1 LYS 98 -8.688 14.073 -13.174 694 HZ2 LYS 98 HZ2 LYS 98 -7.754 14.111 -11.766 695 HZ3 LYS 98 HZ3 LYS 98 -7.883 12.679 -12.656 696 H ARG 99 H ARG 99 -3.346 12.647 -17.496 697 HA ARG 99 HA ARG 99 -0.784 13.499 -18.398 698 HB2 ARG 99 HB2 ARG 99 -0.638 11.151 -19.724 699 HB3 ARG 99 HB3 ARG 99 0.216 11.477 -18.210 700 HG2 ARG 99 HG2 ARG 99 -1.186 10.168 -16.951 701 HG3 ARG 99 HG3 ARG 99 -2.539 10.364 -18.079 702 HD2 ARG 99 HD2 ARG 99 -0.313 9.058 -19.384 703 HD3 ARG 99 HD3 ARG 99 -0.770 8.202 -17.904 704 HE ARG 99 HE ARG 99 -2.311 8.418 -20.327 705 HH11 ARG 99 HH11 ARG 99 -2.406 7.808 -16.900 706 HH12 ARG 99 HH12 ARG 99 -3.884 6.907 -16.969 707 HH21 ARG 99 HH21 ARG 99 -4.258 7.233 -20.430 708 HH22 ARG 99 HH22 ARG 99 -4.936 6.579 -18.978 709 H GLY 100 H GLY 100 -3.031 11.115 -19.787 710 HA2 GLY 100 HA2 GLY 100 -3.943 13.173 -21.685 711 HA3 GLY 100 HA3 GLY 100 -3.314 11.650 -22.293 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -24.685 11.797 -13.263 2 HA2 GLY 1 HA2 GLY 1 -23.207 13.868 -13.211 3 HA3 GLY 1 HA3 GLY 1 -24.727 14.748 -13.245 4 H SER 2 H SER 2 -22.365 13.380 -11.285 5 HA SER 2 HA SER 2 -23.777 12.586 -9.014 6 HB2 SER 2 HB2 SER 2 -21.259 14.012 -8.458 7 HB3 SER 2 HB3 SER 2 -21.729 12.346 -8.082 8 HG SER 2 HG SER 2 -21.147 11.717 -10.124 9 H ARG 3 H ARG 3 -23.987 13.709 -6.949 10 HA ARG 3 HA ARG 3 -24.254 16.623 -7.199 11 HB2 ARG 3 HB2 ARG 3 -26.440 15.126 -7.394 12 HB3 ARG 3 HB3 ARG 3 -26.307 15.138 -5.628 13 HG2 ARG 3 HG2 ARG 3 -26.841 17.335 -5.447 14 HG3 ARG 3 HG3 ARG 3 -26.084 17.750 -6.995 15 HD2 ARG 3 HD2 ARG 3 -27.946 16.775 -8.218 16 HD3 ARG 3 HD3 ARG 3 -28.684 16.252 -6.697 17 HE ARG 3 HE ARG 3 -29.489 18.371 -6.399 18 HH11 ARG 3 HH11 ARG 3 -26.972 18.442 -8.801 19 HH12 ARG 3 HH12 ARG 3 -27.248 20.097 -9.231 20 HH21 ARG 3 HH21 ARG 3 -29.863 20.552 -6.955 21 HH22 ARG 3 HH22 ARG 3 -28.892 21.297 -8.180 22 H ARG 4 H ARG 4 -23.581 17.762 -5.465 23 HA ARG 4 HA ARG 4 -23.339 16.524 -2.860 24 HB2 ARG 4 HB2 ARG 4 -20.929 17.041 -2.643 25 HB3 ARG 4 HB3 ARG 4 -21.258 15.805 -3.866 26 HG2 ARG 4 HG2 ARG 4 -21.280 17.948 -5.458 27 HG3 ARG 4 HG3 ARG 4 -20.209 18.551 -4.182 28 HD2 ARG 4 HD2 ARG 4 -19.137 16.106 -4.527 29 HD3 ARG 4 HD3 ARG 4 -19.784 16.387 -6.150 30 HE ARG 4 HE ARG 4 -17.494 17.611 -5.008 31 HH11 ARG 4 HH11 ARG 4 -20.186 18.225 -7.129 32 HH12 ARG 4 HH12 ARG 4 -19.362 19.454 -8.032 33 HH21 ARG 4 HH21 ARG 4 -16.399 19.227 -6.189 34 HH22 ARG 4 HH22 ARG 4 -17.208 20.021 -7.497 35 H ALA 5 H ALA 5 -22.703 18.072 -1.190 36 HA ALA 5 HA ALA 5 -22.598 20.871 -1.854 37 HB1 ALA 5 HB1 ALA 5 -24.796 20.619 -0.025 38 HB2 ALA 5 HB2 ALA 5 -24.723 21.447 -1.581 39 HB3 ALA 5 HB3 ALA 5 -25.134 19.733 -1.512 40 H SER 6 H SER 6 -22.809 22.186 0.306 41 HA SER 6 HA SER 6 -21.962 20.771 2.671 42 HB2 SER 6 HB2 SER 6 -19.839 22.207 2.837 43 HB3 SER 6 HB3 SER 6 -19.804 20.839 1.710 44 HG SER 6 HG SER 6 -19.013 22.940 0.902 45 H VAL 7 H VAL 7 -21.591 22.281 4.508 46 HA VAL 7 HA VAL 7 -22.688 24.956 4.178 47 HB VAL 7 HB VAL 7 -24.334 24.658 5.991 48 HG11 VAL 7 HG11 VAL 7 -25.006 24.500 3.627 49 HG12 VAL 7 HG12 VAL 7 -24.766 22.753 3.692 50 HG13 VAL 7 HG13 VAL 7 -26.017 23.511 4.680 51 HG21 VAL 7 HG21 VAL 7 -23.434 22.807 7.191 52 HG22 VAL 7 HG22 VAL 7 -25.004 22.307 6.562 53 HG23 VAL 7 HG23 VAL 7 -23.524 21.765 5.771 54 H GLY 8 H GLY 8 -22.701 26.116 6.371 55 HA2 GLY 8 HA2 GLY 8 -21.630 26.744 8.318 56 HA3 GLY 8 HA3 GLY 8 -20.944 25.129 8.407 57 H SER 9 H SER 9 -18.813 25.336 8.607 58 HA SER 9 HA SER 9 -17.402 27.001 6.641 59 HB2 SER 9 HB2 SER 9 -17.657 27.838 9.204 60 HB3 SER 9 HB3 SER 9 -16.189 26.854 9.342 61 HG SER 9 HG SER 9 -16.635 29.063 7.623 62 H GLU 10 H GLU 10 -14.838 26.507 7.252 63 HA GLU 10 HA GLU 10 -14.554 23.590 7.413 64 HB2 GLU 10 HB2 GLU 10 -12.917 23.663 5.539 65 HB3 GLU 10 HB3 GLU 10 -14.571 24.065 5.052 66 HG2 GLU 10 HG2 GLU 10 -13.950 26.489 5.233 67 HG3 GLU 10 HG3 GLU 10 -12.276 25.961 5.460 68 H PHE 11 H PHE 11 -11.950 23.217 7.179 69 HA PHE 11 HA PHE 11 -10.407 25.182 8.608 70 HB2 PHE 11 HB2 PHE 11 -11.821 23.203 10.088 71 HB3 PHE 11 HB3 PHE 11 -10.106 22.793 10.154 72 HD1 PHE 11 HD1 PHE 11 -8.484 24.288 11.180 73 HD2 PHE 11 HD2 PHE 11 -12.639 25.211 11.150 74 HE1 PHE 11 HE1 PHE 11 -8.115 25.990 12.918 75 HE2 PHE 11 HE2 PHE 11 -12.277 26.914 12.888 76 HZ PHE 11 HZ PHE 11 -10.012 27.306 13.774 77 H MET 12 H MET 12 -8.253 24.942 8.258 78 HA MET 12 HA MET 12 -7.449 22.952 6.335 79 HB2 MET 12 HB2 MET 12 -5.419 24.152 6.137 80 HB3 MET 12 HB3 MET 12 -6.687 25.370 6.344 81 HG2 MET 12 HG2 MET 12 -5.944 24.953 8.928 82 HG3 MET 12 HG3 MET 12 -4.422 24.697 8.074 83 HE1 MET 12 HE1 MET 12 -6.806 27.173 9.581 84 HE2 MET 12 HE2 MET 12 -6.702 28.622 8.582 85 HE3 MET 12 HE3 MET 12 -7.533 27.188 7.974 86 H VAL 13 H VAL 13 -5.541 21.596 6.619 87 HA VAL 13 HA VAL 13 -4.700 21.015 9.332 88 HB VAL 13 HB VAL 13 -5.208 18.548 9.015 89 HG11 VAL 13 HG11 VAL 13 -7.801 19.979 9.176 90 HG12 VAL 13 HG12 VAL 13 -7.109 18.761 10.249 91 HG13 VAL 13 HG13 VAL 13 -6.545 20.431 10.328 92 HG21 VAL 13 HG21 VAL 13 -6.630 17.796 7.385 93 HG22 VAL 13 HG22 VAL 13 -7.413 19.364 7.187 94 HG23 VAL 13 HG23 VAL 13 -5.809 19.087 6.507 95 H VAL 14 H VAL 14 -3.206 18.946 9.220 96 HA VAL 14 HA VAL 14 -1.412 19.367 6.925 97 HB VAL 14 HB VAL 14 0.406 18.583 8.309 98 HG11 VAL 14 HG11 VAL 14 0.681 20.542 9.387 99 HG12 VAL 14 HG12 VAL 14 -0.835 20.971 8.593 100 HG13 VAL 14 HG13 VAL 14 -0.844 20.396 10.260 101 HG21 VAL 14 HG21 VAL 14 -1.805 17.785 10.120 102 HG22 VAL 14 HG22 VAL 14 -0.294 16.957 9.742 103 HG23 VAL 14 HG23 VAL 14 -0.295 18.321 10.859 104 H ASP 15 H ASP 15 0.157 17.207 6.958 105 HA ASP 15 HA ASP 15 -1.440 14.789 7.057 106 HB2 ASP 15 HB2 ASP 15 -0.260 15.794 4.452 107 HB3 ASP 15 HB3 ASP 15 -0.994 14.204 4.697 108 H VAL 16 H VAL 16 -0.192 13.293 7.941 109 HA VAL 16 HA VAL 16 2.591 13.039 7.101 110 HB VAL 16 HB VAL 16 1.860 13.170 10.027 111 HG11 VAL 16 HG11 VAL 16 3.950 12.508 10.496 112 HG12 VAL 16 HG12 VAL 16 3.961 11.895 8.841 113 HG13 VAL 16 HG13 VAL 16 4.650 13.479 9.200 114 HG21 VAL 16 HG21 VAL 16 1.662 15.375 8.985 115 HG22 VAL 16 HG22 VAL 16 3.040 15.304 10.083 116 HG23 VAL 16 HG23 VAL 16 3.295 15.218 8.339 117 H THR 17 H THR 17 1.219 11.233 6.109 118 HA THR 17 HA THR 17 0.824 9.013 7.987 119 HB THR 17 HB THR 17 -0.485 7.929 6.281 120 HG1 THR 17 HG1 THR 17 0.219 10.122 4.597 121 HG21 THR 17 HG21 THR 17 -1.207 10.285 7.515 122 HG22 THR 17 HG22 THR 17 -2.300 9.187 6.672 123 HG23 THR 17 HG23 THR 17 -1.620 10.578 5.827 124 H ILE 18 H ILE 18 1.542 6.862 7.341 125 HA ILE 18 HA ILE 18 4.062 6.980 5.822 126 HB ILE 18 HB ILE 18 3.362 4.866 7.847 127 HG12 ILE 18 HG12 ILE 18 3.276 7.002 8.997 128 HG13 ILE 18 HG13 ILE 18 4.749 6.132 9.460 129 HG21 ILE 18 HG21 ILE 18 6.036 5.070 7.874 130 HG22 ILE 18 HG22 ILE 18 5.158 4.003 6.780 131 HG23 ILE 18 HG23 ILE 18 5.717 5.578 6.216 132 HD11 ILE 18 HD11 ILE 18 6.070 7.503 7.963 133 HD12 ILE 18 HD12 ILE 18 4.618 8.354 7.436 134 HD13 ILE 18 HD13 ILE 18 5.175 8.507 9.102 135 H GLU 19 H GLU 19 4.642 5.126 4.544 136 HA GLU 19 HA GLU 19 2.922 2.960 4.042 137 HB2 GLU 19 HB2 GLU 19 2.196 3.635 1.723 138 HB3 GLU 19 HB3 GLU 19 1.382 4.478 3.051 139 HG2 GLU 19 HG2 GLU 19 2.824 6.421 2.733 140 HG3 GLU 19 HG3 GLU 19 3.661 5.579 1.422 141 H ASP 20 H ASP 20 3.945 1.424 2.857 142 HA ASP 20 HA ASP 20 6.077 2.099 1.032 143 HB2 ASP 20 HB2 ASP 20 6.700 1.587 3.751 144 HB3 ASP 20 HB3 ASP 20 7.204 0.167 2.827 145 H SER 21 H SER 21 6.297 0.590 -0.522 146 HA SER 21 HA SER 21 4.547 -1.731 -0.379 147 HB2 SER 21 HB2 SER 21 5.488 -1.964 -2.838 148 HB3 SER 21 HB3 SER 21 4.263 -0.742 -2.451 149 HG SER 21 HG SER 21 6.123 0.035 -3.667 150 H TYR 22 H TYR 22 5.797 -2.908 1.180 151 HA TYR 22 HA TYR 22 7.815 -4.565 -0.080 152 HB2 TYR 22 HB2 TYR 22 8.406 -2.917 2.391 153 HB3 TYR 22 HB3 TYR 22 9.409 -4.257 1.830 154 HD1 TYR 22 HD1 TYR 22 10.583 -4.098 -0.373 155 HD2 TYR 22 HD2 TYR 22 8.600 -0.767 1.379 156 HE1 TYR 22 HE1 TYR 22 11.835 -2.582 -1.852 157 HE2 TYR 22 HE2 TYR 22 9.844 0.758 -0.096 158 HH TYR 22 HH TYR 22 11.348 -0.117 -2.800 159 H SER 23 H SER 23 8.385 -6.446 1.258 160 HA SER 23 HA SER 23 7.090 -7.106 3.651 161 HB2 SER 23 HB2 SER 23 5.314 -7.148 1.496 162 HB3 SER 23 HB3 SER 23 5.754 -8.846 1.742 163 HG SER 23 HG SER 23 3.979 -8.255 3.045 164 H THR 24 H THR 24 6.811 -9.771 3.577 165 HA THR 24 HA THR 24 9.498 -10.685 3.382 166 HB THR 24 HB THR 24 7.974 -12.976 3.607 167 HG1 THR 24 HG1 THR 24 6.016 -12.217 3.983 168 HG21 THR 24 HG21 THR 24 9.113 -11.082 5.646 169 HG22 THR 24 HG22 THR 24 9.780 -12.609 5.069 170 HG23 THR 24 HG23 THR 24 8.356 -12.605 6.110 171 H GLU 25 H GLU 25 6.533 -11.541 1.598 172 HA GLU 25 HA GLU 25 8.164 -12.139 -0.745 173 HB2 GLU 25 HB2 GLU 25 6.283 -14.103 0.571 174 HB3 GLU 25 HB3 GLU 25 6.844 -14.268 -1.099 175 HG2 GLU 25 HG2 GLU 25 8.744 -14.058 1.225 176 HG3 GLU 25 HG3 GLU 25 8.080 -15.599 0.665 177 H SER 26 H SER 26 4.783 -12.811 0.132 178 HA SER 26 HA SER 26 3.677 -12.011 -2.284 179 HB2 SER 26 HB2 SER 26 1.526 -11.816 -1.038 180 HB3 SER 26 HB3 SER 26 2.401 -13.317 -0.685 181 HG SER 26 HG SER 26 1.626 -11.409 1.016 182 H ALA 27 H ALA 27 2.604 -10.132 -2.964 183 HA ALA 27 HA ALA 27 3.283 -7.690 -1.459 184 HB1 ALA 27 HB1 ALA 27 4.187 -8.439 -4.027 185 HB2 ALA 27 HB2 ALA 27 3.049 -7.108 -4.239 186 HB3 ALA 27 HB3 ALA 27 4.446 -6.914 -3.179 187 H TRP 28 H TRP 28 1.883 -5.829 -1.958 188 HA TRP 28 HA TRP 28 -0.884 -6.726 -2.350 189 HB2 TRP 28 HB2 TRP 28 0.385 -4.468 -0.838 190 HB3 TRP 28 HB3 TRP 28 -1.285 -4.306 -1.385 191 HD1 TRP 28 HD1 TRP 28 0.664 -5.625 1.449 192 HE1 TRP 28 HE1 TRP 28 -0.822 -7.057 2.987 193 HE3 TRP 28 HE3 TRP 28 -3.386 -6.181 -1.622 194 HZ2 TRP 28 HZ2 TRP 28 -3.373 -8.264 2.909 195 HZ3 TRP 28 HZ3 TRP 28 -5.307 -7.489 -0.815 196 HH2 TRP 28 HH2 TRP 28 -5.298 -8.509 1.403 197 H VAL 29 H VAL 29 -2.108 -6.008 -3.995 198 HA VAL 29 HA VAL 29 -1.068 -3.806 -5.648 199 HB VAL 29 HB VAL 29 -2.021 -5.072 -7.643 200 HG11 VAL 29 HG11 VAL 29 0.308 -6.501 -6.408 201 HG12 VAL 29 HG12 VAL 29 0.035 -6.075 -8.099 202 HG13 VAL 29 HG13 VAL 29 0.435 -4.820 -6.925 203 HG21 VAL 29 HG21 VAL 29 -2.241 -7.459 -7.475 204 HG22 VAL 29 HG22 VAL 29 -1.755 -7.429 -5.779 205 HG23 VAL 29 HG23 VAL 29 -3.290 -6.713 -6.270 206 H ARG 30 H ARG 30 -2.549 -2.361 -6.362 207 HA ARG 30 HA ARG 30 -5.334 -2.814 -5.534 208 HB2 ARG 30 HB2 ARG 30 -4.126 -0.890 -4.508 209 HB3 ARG 30 HB3 ARG 30 -3.966 -0.185 -6.123 210 HG2 ARG 30 HG2 ARG 30 -6.671 -0.702 -5.937 211 HG3 ARG 30 HG3 ARG 30 -6.229 -0.170 -4.305 212 HD2 ARG 30 HD2 ARG 30 -6.873 1.758 -5.604 213 HD3 ARG 30 HD3 ARG 30 -5.134 1.820 -5.289 214 HE ARG 30 HE ARG 30 -5.831 0.600 -7.804 215 HH11 ARG 30 HH11 ARG 30 -5.102 3.571 -6.144 216 HH12 ARG 30 HH12 ARG 30 -4.599 4.403 -7.579 217 HH21 ARG 30 HH21 ARG 30 -5.172 1.683 -9.701 218 HH22 ARG 30 HH22 ARG 30 -4.641 3.327 -9.602 219 H CYS 31 H CYS 31 -7.018 -2.480 -6.949 220 HA CYS 31 HA CYS 31 -6.404 -2.786 -9.734 221 HB2 CYS 31 HB2 CYS 31 -8.308 -3.939 -8.664 222 HB3 CYS 31 HB3 CYS 31 -9.076 -2.376 -8.376 223 H ASP 32 H ASP 32 -6.570 -1.331 -11.363 224 HA ASP 32 HA ASP 32 -6.896 1.469 -10.580 225 HB2 ASP 32 HB2 ASP 32 -4.970 0.302 -12.083 226 HB3 ASP 32 HB3 ASP 32 -6.099 0.797 -13.352 227 H ASP 33 H ASP 33 -9.208 -0.233 -10.808 228 HA ASP 33 HA ASP 33 -10.652 1.290 -12.853 229 HB2 ASP 33 HB2 ASP 33 -10.076 -0.962 -13.779 230 HB3 ASP 33 HB3 ASP 33 -11.010 -1.688 -12.463 231 H CYS 34 H CYS 34 -10.867 -0.883 -10.062 232 HA CYS 34 HA CYS 34 -13.310 0.550 -9.244 233 HB2 CYS 34 HB2 CYS 34 -14.077 -1.486 -8.147 234 HB3 CYS 34 HB3 CYS 34 -13.798 -1.777 -9.865 235 H PHE 35 H PHE 35 -10.109 -0.009 -8.558 236 HA PHE 35 HA PHE 35 -8.768 0.458 -6.783 237 HB2 PHE 35 HB2 PHE 35 -11.214 1.803 -5.609 238 HB3 PHE 35 HB3 PHE 35 -9.535 2.087 -5.151 239 HD1 PHE 35 HD1 PHE 35 -12.026 2.595 -7.808 240 HD2 PHE 35 HD2 PHE 35 -8.110 3.513 -6.414 241 HE1 PHE 35 HE1 PHE 35 -11.851 4.386 -9.487 242 HE2 PHE 35 HE2 PHE 35 -7.929 5.305 -8.090 243 HZ PHE 35 HZ PHE 35 -9.801 5.744 -9.628 244 H LYS 36 H LYS 36 -8.840 -1.876 -6.398 245 HA LYS 36 HA LYS 36 -9.933 -2.443 -3.736 246 HB2 LYS 36 HB2 LYS 36 -10.993 -3.505 -6.095 247 HB3 LYS 36 HB3 LYS 36 -9.985 -4.799 -5.427 248 HG2 LYS 36 HG2 LYS 36 -12.186 -5.109 -4.585 249 HG3 LYS 36 HG3 LYS 36 -11.182 -4.510 -3.254 250 HD2 LYS 36 HD2 LYS 36 -12.023 -2.207 -3.718 251 HD3 LYS 36 HD3 LYS 36 -13.119 -2.908 -4.921 252 HE2 LYS 36 HE2 LYS 36 -13.779 -4.473 -2.869 253 HE3 LYS 36 HE3 LYS 36 -13.200 -3.072 -1.956 254 HZ1 LYS 36 HZ1 LYS 36 -15.348 -2.464 -2.232 255 HZ2 LYS 36 HZ2 LYS 36 -15.544 -3.322 -3.676 256 HZ3 LYS 36 HZ3 LYS 36 -14.746 -1.831 -3.682 257 H TRP 37 H TRP 37 -8.585 -3.546 -2.421 258 HA TRP 37 HA TRP 37 -5.873 -3.928 -3.279 259 HB2 TRP 37 HB2 TRP 37 -7.370 -4.110 -0.708 260 HB3 TRP 37 HB3 TRP 37 -5.861 -5.015 -0.829 261 HD1 TRP 37 HD1 TRP 37 -6.842 -1.939 0.559 262 HE1 TRP 37 HE1 TRP 37 -4.993 -0.149 0.485 263 HE3 TRP 37 HE3 TRP 37 -3.792 -4.068 -2.947 264 HZ2 TRP 37 HZ2 TRP 37 -2.564 0.301 -0.880 265 HZ3 TRP 37 HZ3 TRP 37 -1.724 -2.894 -3.581 266 HH2 TRP 37 HH2 TRP 37 -1.125 -0.755 -2.568 267 H ARG 38 H ARG 38 -4.757 -5.820 -3.575 268 HA ARG 38 HA ARG 38 -6.147 -8.359 -3.218 269 HB2 ARG 38 HB2 ARG 38 -6.770 -7.902 -5.456 270 HB3 ARG 38 HB3 ARG 38 -5.153 -7.310 -5.859 271 HG2 ARG 38 HG2 ARG 38 -4.437 -9.336 -6.425 272 HG3 ARG 38 HG3 ARG 38 -5.072 -10.045 -4.931 273 HD2 ARG 38 HD2 ARG 38 -7.159 -9.306 -6.854 274 HD3 ARG 38 HD3 ARG 38 -6.028 -10.525 -7.457 275 HE ARG 38 HE ARG 38 -8.056 -10.926 -5.525 276 HH11 ARG 38 HH11 ARG 38 -4.790 -11.848 -6.301 277 HH12 ARG 38 HH12 ARG 38 -4.891 -13.377 -5.493 278 HH21 ARG 38 HH21 ARG 38 -8.201 -12.936 -4.458 279 HH22 ARG 38 HH22 ARG 38 -6.833 -13.996 -4.446 280 H ARG 39 H ARG 39 -4.818 -9.803 -2.342 281 HA ARG 39 HA ARG 39 -1.988 -9.211 -2.163 282 HB2 ARG 39 HB2 ARG 39 -3.561 -10.125 -0.295 283 HB3 ARG 39 HB3 ARG 39 -3.267 -11.691 -1.064 284 HG2 ARG 39 HG2 ARG 39 -0.727 -10.688 -0.829 285 HG3 ARG 39 HG3 ARG 39 -1.524 -10.087 0.635 286 HD2 ARG 39 HD2 ARG 39 -2.397 -12.514 0.894 287 HD3 ARG 39 HD3 ARG 39 -1.115 -12.918 -0.256 288 HE ARG 39 HE ARG 39 -0.211 -11.359 1.988 289 HH11 ARG 39 HH11 ARG 39 -0.844 -14.564 0.782 290 HH12 ARG 39 HH12 ARG 39 0.251 -15.334 1.882 291 HH21 ARG 39 HH21 ARG 39 1.233 -12.363 3.441 292 HH22 ARG 39 HH22 ARG 39 1.430 -14.082 3.394 293 H ILE 40 H ILE 40 -0.643 -9.841 -3.707 294 HA ILE 40 HA ILE 40 -1.165 -12.408 -5.062 295 HB ILE 40 HB ILE 40 -0.223 -11.572 -7.073 296 HG12 ILE 40 HG12 ILE 40 0.527 -9.126 -5.457 297 HG13 ILE 40 HG13 ILE 40 1.635 -10.302 -6.184 298 HG21 ILE 40 HG21 ILE 40 -1.711 -9.740 -7.642 299 HG22 ILE 40 HG22 ILE 40 -2.549 -10.919 -6.633 300 HG23 ILE 40 HG23 ILE 40 -1.981 -9.403 -5.932 301 HD11 ILE 40 HD11 ILE 40 0.747 -9.616 -8.426 302 HD12 ILE 40 HD12 ILE 40 -0.085 -8.296 -7.606 303 HD13 ILE 40 HD13 ILE 40 1.675 -8.388 -7.566 304 HA PRO 41 HA PRO 41 2.756 -13.858 -3.719 305 HB2 PRO 41 HB2 PRO 41 3.448 -15.496 -5.803 306 HB3 PRO 41 HB3 PRO 41 2.183 -15.884 -4.637 307 HG2 PRO 41 HG2 PRO 41 1.943 -14.680 -7.375 308 HG3 PRO 41 HG3 PRO 41 0.976 -16.003 -6.622 309 HD2 PRO 41 HD2 PRO 41 0.069 -13.450 -6.810 310 HD3 PRO 41 HD3 PRO 41 -0.334 -14.512 -5.449 311 H ALA 42 H ALA 42 5.012 -13.697 -4.066 312 HA ALA 42 HA ALA 42 5.842 -11.375 -5.458 313 HB1 ALA 42 HB1 ALA 42 7.819 -13.443 -4.633 314 HB2 ALA 42 HB2 ALA 42 7.890 -11.686 -4.481 315 HB3 ALA 42 HB3 ALA 42 6.872 -12.627 -3.390 316 H SER 43 H SER 43 5.263 -14.525 -6.517 317 HA SER 43 HA SER 43 7.262 -14.651 -8.568 318 HB2 SER 43 HB2 SER 43 5.476 -16.459 -7.392 319 HB3 SER 43 HB3 SER 43 4.934 -16.311 -9.072 320 HG SER 43 HG SER 43 6.607 -17.414 -9.672 321 H VAL 44 H VAL 44 3.886 -13.671 -8.381 322 HA VAL 44 HA VAL 44 3.807 -13.110 -11.242 323 HB VAL 44 HB VAL 44 1.858 -14.165 -10.052 324 HG11 VAL 44 HG11 VAL 44 0.380 -12.726 -8.757 325 HG12 VAL 44 HG12 VAL 44 1.972 -12.826 -8.002 326 HG13 VAL 44 HG13 VAL 44 1.518 -11.389 -8.920 327 HG21 VAL 44 HG21 VAL 44 1.833 -11.899 -11.891 328 HG22 VAL 44 HG22 VAL 44 1.000 -13.450 -11.993 329 HG23 VAL 44 HG23 VAL 44 0.304 -12.137 -11.043 330 H VAL 45 H VAL 45 4.038 -11.463 -8.177 331 HA VAL 45 HA VAL 45 3.292 -8.883 -8.875 332 HB VAL 45 HB VAL 45 4.079 -9.877 -6.585 333 HG11 VAL 45 HG11 VAL 45 6.302 -9.488 -5.951 334 HG12 VAL 45 HG12 VAL 45 6.419 -10.226 -7.550 335 HG13 VAL 45 HG13 VAL 45 6.621 -8.483 -7.365 336 HG21 VAL 45 HG21 VAL 45 3.276 -7.830 -6.172 337 HG22 VAL 45 HG22 VAL 45 4.961 -7.308 -6.190 338 HG23 VAL 45 HG23 VAL 45 3.976 -7.161 -7.647 339 H GLY 46 H GLY 46 6.120 -10.685 -9.751 340 HA2 GLY 46 HA2 GLY 46 7.437 -8.267 -10.773 341 HA3 GLY 46 HA3 GLY 46 8.189 -9.844 -10.586 342 H SER 47 H SER 47 5.043 -9.687 -11.999 343 HA SER 47 HA SER 47 6.181 -9.864 -14.700 344 HB2 SER 47 HB2 SER 47 5.125 -12.053 -13.234 345 HB3 SER 47 HB3 SER 47 3.941 -11.648 -14.489 346 HG SER 47 HG SER 47 6.664 -12.341 -14.812 347 H ILE 48 H ILE 48 3.305 -9.444 -12.693 348 HA ILE 48 HA ILE 48 1.629 -8.537 -14.809 349 HB ILE 48 HB ILE 48 0.108 -7.779 -13.028 350 HG12 ILE 48 HG12 ILE 48 0.981 -8.644 -10.655 351 HG13 ILE 48 HG13 ILE 48 2.544 -8.224 -11.374 352 HG21 ILE 48 HG21 ILE 48 1.208 -10.494 -13.226 353 HG22 ILE 48 HG22 ILE 48 0.270 -10.175 -11.767 354 HG23 ILE 48 HG23 ILE 48 -0.458 -9.930 -13.354 355 HD11 ILE 48 HD11 ILE 48 0.455 -6.493 -10.344 356 HD12 ILE 48 HD12 ILE 48 2.166 -6.167 -10.627 357 HD13 ILE 48 HD13 ILE 48 1.009 -6.026 -11.952 358 H ASP 49 H ASP 49 4.138 -7.080 -13.042 359 HA ASP 49 HA ASP 49 3.155 -4.368 -13.390 360 HB2 ASP 49 HB2 ASP 49 5.605 -5.579 -12.122 361 HB3 ASP 49 HB3 ASP 49 5.512 -3.843 -12.446 362 H GLU 50 H GLU 50 3.271 -5.475 -15.827 363 HA GLU 50 HA GLU 50 5.804 -4.600 -17.028 364 HB2 GLU 50 HB2 GLU 50 4.955 -5.793 -19.070 365 HB3 GLU 50 HB3 GLU 50 5.249 -6.832 -17.666 366 HG2 GLU 50 HG2 GLU 50 2.966 -7.118 -17.234 367 HG3 GLU 50 HG3 GLU 50 2.521 -5.745 -18.260 368 H SER 51 H SER 51 2.892 -3.333 -16.307 369 HA SER 51 HA SER 51 3.032 -1.453 -18.557 370 HB2 SER 51 HB2 SER 51 1.124 -3.266 -18.654 371 HB3 SER 51 HB3 SER 51 0.351 -2.214 -17.457 372 HG SER 51 HG SER 51 0.928 -0.487 -19.107 373 H SER 52 H SER 52 3.475 -1.760 -15.428 374 HA SER 52 HA SER 52 3.524 -0.330 -13.658 375 HB2 SER 52 HB2 SER 52 4.022 1.258 -15.780 376 HB3 SER 52 HB3 SER 52 2.513 1.992 -15.208 377 HG SER 52 HG SER 52 4.301 2.947 -14.189 378 H ARG 53 H ARG 53 1.038 -1.720 -14.536 379 HA ARG 53 HA ARG 53 -0.756 -0.361 -12.709 380 HB2 ARG 53 HB2 ARG 53 -2.586 -0.117 -14.186 381 HB3 ARG 53 HB3 ARG 53 -1.189 0.572 -15.027 382 HG2 ARG 53 HG2 ARG 53 -1.204 -2.100 -15.801 383 HG3 ARG 53 HG3 ARG 53 -2.908 -1.614 -15.799 384 HD2 ARG 53 HD2 ARG 53 -2.091 0.483 -17.079 385 HD3 ARG 53 HD3 ARG 53 -0.629 -0.469 -17.372 386 HE ARG 53 HE ARG 53 -1.803 -1.775 -18.853 387 HH11 ARG 53 HH11 ARG 53 -4.020 0.168 -17.002 388 HH12 ARG 53 HH12 ARG 53 -5.393 -0.237 -17.978 389 HH21 ARG 53 HH21 ARG 53 -3.603 -2.316 -20.145 390 HH22 ARG 53 HH22 ARG 53 -5.154 -1.651 -19.764 391 H TRP 54 H TRP 54 -2.901 -1.710 -12.604 392 HA TRP 54 HA TRP 54 -2.736 -4.479 -13.248 393 HB2 TRP 54 HB2 TRP 54 -1.107 -4.433 -11.402 394 HB3 TRP 54 HB3 TRP 54 -2.325 -3.712 -10.350 395 HD1 TRP 54 HD1 TRP 54 -1.204 -7.048 -11.719 396 HE1 TRP 54 HE1 TRP 54 -2.609 -8.923 -10.654 397 HE3 TRP 54 HE3 TRP 54 -4.759 -4.187 -9.414 398 HZ2 TRP 54 HZ2 TRP 54 -4.921 -9.158 -9.049 399 HZ3 TRP 54 HZ3 TRP 54 -6.532 -5.314 -8.134 400 HH2 TRP 54 HH2 TRP 54 -6.610 -7.749 -7.957 401 H ILE 55 H ILE 55 -4.658 -5.596 -12.805 402 HA ILE 55 HA ILE 55 -6.794 -4.142 -11.442 403 HB ILE 55 HB ILE 55 -8.348 -4.799 -13.375 404 HG12 ILE 55 HG12 ILE 55 -5.655 -4.907 -14.757 405 HG13 ILE 55 HG13 ILE 55 -6.820 -6.233 -14.601 406 HG21 ILE 55 HG21 ILE 55 -7.383 -2.483 -12.709 407 HG22 ILE 55 HG22 ILE 55 -6.419 -2.660 -14.173 408 HG23 ILE 55 HG23 ILE 55 -8.180 -2.673 -14.270 409 HD11 ILE 55 HD11 ILE 55 -8.347 -4.370 -15.827 410 HD12 ILE 55 HD12 ILE 55 -6.759 -4.007 -16.501 411 HD13 ILE 55 HD13 ILE 55 -7.436 -5.628 -16.662 412 H CYS 56 H CYS 56 -8.866 -5.588 -11.495 413 HA CYS 56 HA CYS 56 -8.253 -7.975 -10.138 414 HB2 CYS 56 HB2 CYS 56 -10.886 -7.251 -11.443 415 HB3 CYS 56 HB3 CYS 56 -10.640 -8.385 -10.114 416 H MET 57 H MET 57 -9.652 -7.467 -13.377 417 HA MET 57 HA MET 57 -9.765 -10.158 -14.125 418 HB2 MET 57 HB2 MET 57 -9.804 -9.308 -16.463 419 HB3 MET 57 HB3 MET 57 -10.950 -8.485 -15.392 420 HG2 MET 57 HG2 MET 57 -8.630 -6.956 -15.222 421 HG3 MET 57 HG3 MET 57 -8.756 -7.406 -16.925 422 HE1 MET 57 HE1 MET 57 -11.743 -6.527 -14.248 423 HE2 MET 57 HE2 MET 57 -10.227 -5.687 -13.923 424 HE3 MET 57 HE3 MET 57 -11.625 -4.786 -14.512 425 H ASN 58 H ASN 58 -7.083 -8.058 -13.780 426 HA ASN 58 HA ASN 58 -5.351 -9.549 -15.557 427 HB2 ASN 58 HB2 ASN 58 -5.150 -7.083 -13.920 428 HB3 ASN 58 HB3 ASN 58 -3.648 -7.982 -14.159 429 HD21 ASN 58 HD21 ASN 58 -6.398 -7.560 -16.337 430 HD22 ASN 58 HD22 ASN 58 -5.501 -6.802 -17.605 431 H ASN 59 H ASN 59 -6.491 -9.921 -12.426 432 HA ASN 59 HA ASN 59 -4.273 -10.850 -11.010 433 HB2 ASN 59 HB2 ASN 59 -6.452 -10.377 -9.970 434 HB3 ASN 59 HB3 ASN 59 -7.147 -11.777 -10.799 435 HD21 ASN 59 HD21 ASN 59 -7.715 -12.519 -8.675 436 HD22 ASN 59 HD22 ASN 59 -6.543 -13.347 -7.713 437 H SER 60 H SER 60 -3.257 -12.797 -10.835 438 HA SER 60 HA SER 60 -3.241 -14.515 -13.059 439 HB2 SER 60 HB2 SER 60 -2.251 -15.744 -10.590 440 HB3 SER 60 HB3 SER 60 -1.390 -15.364 -12.092 441 HG SER 60 HG SER 60 -1.434 -13.998 -9.757 442 H ASP 61 H ASP 61 -5.163 -14.474 -10.197 443 HA ASP 61 HA ASP 61 -5.920 -17.212 -10.172 444 HB2 ASP 61 HB2 ASP 61 -6.238 -15.143 -8.441 445 HB3 ASP 61 HB3 ASP 61 -7.860 -15.236 -9.141 446 H LYS 62 H LYS 62 -8.552 -17.470 -10.198 447 HA LYS 62 HA LYS 62 -9.465 -16.441 -12.799 448 HB2 LYS 62 HB2 LYS 62 -10.609 -18.721 -13.063 449 HB3 LYS 62 HB3 LYS 62 -8.862 -18.644 -13.335 450 HG2 LYS 62 HG2 LYS 62 -9.437 -19.211 -10.563 451 HG3 LYS 62 HG3 LYS 62 -10.229 -20.378 -11.638 452 HD2 LYS 62 HD2 LYS 62 -8.240 -21.174 -12.489 453 HD3 LYS 62 HD3 LYS 62 -7.378 -19.663 -12.149 454 HE2 LYS 62 HE2 LYS 62 -7.203 -20.153 -9.836 455 HE3 LYS 62 HE3 LYS 62 -8.386 -21.464 -9.961 456 HZ1 LYS 62 HZ1 LYS 62 -5.576 -21.429 -10.851 457 HZ2 LYS 62 HZ2 LYS 62 -6.678 -22.504 -11.550 458 HZ3 LYS 62 HZ3 LYS 62 -6.374 -22.568 -9.888 459 H ARG 63 H ARG 63 -10.327 -17.763 -9.648 460 HA ARG 63 HA ARG 63 -13.129 -17.144 -9.979 461 HB2 ARG 63 HB2 ARG 63 -11.438 -18.349 -7.823 462 HB3 ARG 63 HB3 ARG 63 -13.034 -17.708 -7.404 463 HG2 ARG 63 HG2 ARG 63 -14.005 -19.563 -8.121 464 HG3 ARG 63 HG3 ARG 63 -13.307 -19.317 -9.730 465 HD2 ARG 63 HD2 ARG 63 -11.620 -20.797 -9.389 466 HD3 ARG 63 HD3 ARG 63 -11.462 -20.362 -7.682 467 HE ARG 63 HE ARG 63 -13.879 -21.792 -8.223 468 HH11 ARG 63 HH11 ARG 63 -10.466 -22.135 -7.629 469 HH12 ARG 63 HH12 ARG 63 -10.603 -23.747 -7.009 470 HH21 ARG 63 HH21 ARG 63 -14.073 -23.914 -7.408 471 HH22 ARG 63 HH22 ARG 63 -12.655 -24.758 -6.884 472 H PHE 64 H PHE 64 -10.306 -15.568 -8.805 473 HA PHE 64 HA PHE 64 -11.975 -13.384 -7.740 474 HB2 PHE 64 HB2 PHE 64 -9.465 -14.627 -6.711 475 HB3 PHE 64 HB3 PHE 64 -9.668 -12.888 -6.494 476 HD1 PHE 64 HD2 PHE 64 -11.958 -15.825 -6.213 477 HD2 PHE 64 HD1 PHE 64 -10.343 -12.340 -4.379 478 HE1 PHE 64 HE2 PHE 64 -13.371 -16.215 -4.236 479 HE2 PHE 64 HE1 PHE 64 -11.752 -12.724 -2.399 480 HZ PHE 64 HZ PHE 64 -13.270 -14.663 -2.326 481 H ALA 65 H ALA 65 -10.868 -13.927 -10.469 482 HA ALA 65 HA ALA 65 -9.134 -11.564 -10.753 483 HB1 ALA 65 HB1 ALA 65 -8.285 -13.805 -11.548 484 HB2 ALA 65 HB2 ALA 65 -9.521 -13.731 -12.805 485 HB3 ALA 65 HB3 ALA 65 -8.255 -12.504 -12.738 486 H ASP 66 H ASP 66 -11.283 -10.410 -10.487 487 HA ASP 66 HA ASP 66 -12.090 -9.357 -12.960 488 HB2 ASP 66 HB2 ASP 66 -13.618 -11.670 -11.983 489 HB3 ASP 66 HB3 ASP 66 -14.614 -10.255 -12.352 490 H CYS 67 H CYS 67 -13.258 -7.479 -12.716 491 HA CYS 67 HA CYS 67 -13.207 -6.233 -10.197 492 HB2 CYS 67 HB2 CYS 67 -14.309 -5.568 -12.887 493 HB3 CYS 67 HB3 CYS 67 -14.893 -4.631 -11.511 494 H SER 68 H SER 68 -15.599 -8.177 -11.772 495 HA SER 68 HA SER 68 -17.877 -7.316 -10.339 496 HB2 SER 68 HB2 SER 68 -18.055 -8.621 -12.407 497 HB3 SER 68 HB3 SER 68 -17.299 -10.008 -11.601 498 HG SER 68 HG SER 68 -19.641 -8.832 -10.562 499 H LYS 69 H LYS 69 -15.223 -9.371 -9.522 500 HA LYS 69 HA LYS 69 -16.408 -10.892 -7.470 501 HB2 LYS 69 HB2 LYS 69 -13.529 -9.970 -7.624 502 HB3 LYS 69 HB3 LYS 69 -14.154 -11.374 -6.743 503 HG2 LYS 69 HG2 LYS 69 -14.124 -11.027 -9.743 504 HG3 LYS 69 HG3 LYS 69 -13.051 -12.064 -8.787 505 HD2 LYS 69 HD2 LYS 69 -14.902 -13.445 -8.085 506 HD3 LYS 69 HD3 LYS 69 -16.054 -12.350 -8.867 507 HE2 LYS 69 HE2 LYS 69 -15.407 -12.992 -11.023 508 HE3 LYS 69 HE3 LYS 69 -13.875 -13.665 -10.450 509 HZ1 LYS 69 HZ1 LYS 69 -16.529 -14.813 -9.783 510 HZ2 LYS 69 HZ2 LYS 69 -15.014 -15.493 -9.462 511 HZ3 LYS 69 HZ3 LYS 69 -15.559 -15.356 -11.058 512 H SER 70 H SER 70 -14.986 -10.532 -5.186 513 HA SER 70 HA SER 70 -15.844 -7.859 -4.289 514 HB2 SER 70 HB2 SER 70 -15.871 -10.529 -2.869 515 HB3 SER 70 HB3 SER 70 -16.030 -8.990 -2.004 516 HG SER 70 HG SER 70 -18.004 -8.782 -2.716 517 H GLN 71 H GLN 71 -14.700 -7.528 -1.950 518 HA GLN 71 HA GLN 71 -11.936 -7.150 -2.592 519 HB2 GLN 71 HB2 GLN 71 -13.022 -5.446 -1.317 520 HB3 GLN 71 HB3 GLN 71 -13.547 -6.617 -0.096 521 HG2 GLN 71 HG2 GLN 71 -11.689 -6.342 1.071 522 HG3 GLN 71 HG3 GLN 71 -10.697 -6.698 -0.351 523 HE21 GLN 71 HE21 GLN 71 -9.156 -5.165 0.119 524 HE22 GLN 71 HE22 GLN 71 -9.452 -3.468 -0.009 525 H GLU 72 H GLU 72 -10.185 -8.274 -1.939 526 HA GLU 72 HA GLU 72 -10.474 -10.935 -1.067 527 HB2 GLU 72 HB2 GLU 72 -8.097 -9.089 -1.277 528 HB3 GLU 72 HB3 GLU 72 -7.944 -10.756 -0.701 529 HG2 GLU 72 HG2 GLU 72 -7.385 -10.665 -3.037 530 HG3 GLU 72 HG3 GLU 72 -8.898 -11.556 -2.821 531 H MET 73 H MET 73 -9.083 -8.128 0.643 532 HA MET 73 HA MET 73 -9.929 -9.368 3.171 533 HB2 MET 73 HB2 MET 73 -7.238 -8.270 2.419 534 HB3 MET 73 HB3 MET 73 -7.781 -8.207 4.103 535 HG2 MET 73 HG2 MET 73 -8.308 -10.786 3.583 536 HG3 MET 73 HG3 MET 73 -6.972 -10.518 2.460 537 HE1 MET 73 HE1 MET 73 -5.733 -8.057 5.155 538 HE2 MET 73 HE2 MET 73 -4.284 -9.011 4.837 539 HE3 MET 73 HE3 MET 73 -5.327 -8.520 3.502 540 H SER 74 H SER 74 -10.583 -7.960 4.796 541 HA SER 74 HA SER 74 -11.829 -5.588 3.993 542 HB2 SER 74 HB2 SER 74 -11.021 -6.393 6.804 543 HB3 SER 74 HB3 SER 74 -12.253 -5.197 6.370 544 HG SER 74 HG SER 74 -13.013 -7.397 6.877 545 H ASN 75 H ASN 75 -11.348 -3.417 4.323 546 HA ASN 75 HA ASN 75 -8.783 -2.550 3.841 547 HB2 ASN 75 HB2 ASN 75 -11.316 -1.350 4.427 548 HB3 ASN 75 HB3 ASN 75 -10.067 -0.517 5.363 549 HD21 ASN 75 HD21 ASN 75 -10.004 -2.005 2.148 550 HD22 ASN 75 HD22 ASN 75 -9.499 -0.581 1.311 551 H GLU 76 H GLU 76 -10.335 -3.186 6.925 552 HA GLU 76 HA GLU 76 -8.433 -1.969 8.599 553 HB2 GLU 76 HB2 GLU 76 -9.306 -3.536 10.350 554 HB3 GLU 76 HB3 GLU 76 -10.553 -2.598 9.512 555 HG2 GLU 76 HG2 GLU 76 -10.514 -4.806 7.964 556 HG3 GLU 76 HG3 GLU 76 -10.059 -5.497 9.530 557 H GLU 77 H GLU 77 -8.717 -5.331 7.475 558 HA GLU 77 HA GLU 77 -6.426 -6.296 8.792 559 HB2 GLU 77 HB2 GLU 77 -7.730 -7.282 6.243 560 HB3 GLU 77 HB3 GLU 77 -6.552 -8.185 7.209 561 HG2 GLU 77 HG2 GLU 77 -8.375 -7.646 9.113 562 HG3 GLU 77 HG3 GLU 77 -9.418 -7.707 7.684 563 H ILE 78 H ILE 78 -6.891 -4.911 5.574 564 HA ILE 78 HA ILE 78 -4.248 -5.372 4.659 565 HB ILE 78 HB ILE 78 -6.134 -3.204 3.734 566 HG12 ILE 78 HG12 ILE 78 -5.837 -5.987 2.589 567 HG13 ILE 78 HG13 ILE 78 -7.099 -5.553 3.757 568 HG21 ILE 78 HG21 ILE 78 -3.700 -4.498 2.545 569 HG22 ILE 78 HG22 ILE 78 -4.886 -3.651 1.554 570 HG23 ILE 78 HG23 ILE 78 -4.015 -2.785 2.820 571 HD11 ILE 78 HD11 ILE 78 -6.931 -3.792 1.417 572 HD12 ILE 78 HD12 ILE 78 -7.420 -5.454 1.084 573 HD13 ILE 78 HD13 ILE 78 -8.337 -4.478 2.231 574 H ASN 79 H ASN 79 -5.826 -2.601 6.204 575 HA ASN 79 HA ASN 79 -3.664 -0.813 6.020 576 HB2 ASN 79 HB2 ASN 79 -5.416 0.434 6.684 577 HB3 ASN 79 HB3 ASN 79 -6.219 -0.944 7.443 578 HD21 ASN 79 HD21 ASN 79 -5.800 -1.440 9.596 579 HD22 ASN 79 HD22 ASN 79 -5.066 -0.304 10.670 580 H GLU 80 H GLU 80 -4.587 -3.133 8.535 581 HA GLU 80 HA GLU 80 -2.417 -2.426 10.266 582 HB2 GLU 80 HB2 GLU 80 -3.287 -3.928 11.760 583 HB3 GLU 80 HB3 GLU 80 -4.725 -3.595 10.783 584 HG2 GLU 80 HG2 GLU 80 -4.821 -5.870 10.863 585 HG3 GLU 80 HG3 GLU 80 -3.871 -5.641 9.387 586 H GLU 81 H GLU 81 -2.896 -4.669 7.657 587 HA GLU 81 HA GLU 81 -0.744 -6.419 8.232 588 HB2 GLU 81 HB2 GLU 81 -2.520 -7.077 6.716 589 HB3 GLU 81 HB3 GLU 81 -2.098 -5.759 5.611 590 HG2 GLU 81 HG2 GLU 81 -1.293 -7.949 4.831 591 HG3 GLU 81 HG3 GLU 81 0.014 -6.787 5.103 592 H LEU 82 H LEU 82 -1.013 -3.699 5.945 593 HA LEU 82 HA LEU 82 1.818 -3.748 5.401 594 HB2 LEU 82 HB2 LEU 82 -0.296 -1.734 4.616 595 HB3 LEU 82 HB3 LEU 82 1.359 -1.807 3.982 596 HG LEU 82 HG LEU 82 0.156 -4.339 3.537 597 HD11 LEU 82 HD11 LEU 82 -2.011 -3.834 3.344 598 HD12 LEU 82 HD12 LEU 82 -1.549 -3.043 1.837 599 HD13 LEU 82 HD13 LEU 82 -1.704 -2.098 3.319 600 HD21 LEU 82 HD21 LEU 82 0.294 -3.182 1.102 601 HD22 LEU 82 HD22 LEU 82 1.680 -3.872 1.947 602 HD23 LEU 82 HD23 LEU 82 1.378 -2.135 2.018 603 H GLY 83 H GLY 83 -0.368 -2.000 7.476 604 HA2 GLY 83 HA2 GLY 83 0.210 -0.778 9.376 605 HA3 GLY 83 HA3 GLY 83 1.891 -0.831 8.871 606 H ILE 84 H ILE 84 -0.824 0.285 6.920 607 HA ILE 84 HA ILE 84 0.473 2.916 6.772 608 HB ILE 84 HB ILE 84 -0.849 3.279 4.734 609 HG12 ILE 84 HG12 ILE 84 -1.727 0.401 5.053 610 HG13 ILE 84 HG13 ILE 84 -2.752 1.794 5.437 611 HG21 ILE 84 HG21 ILE 84 1.339 1.605 5.060 612 HG22 ILE 84 HG22 ILE 84 0.262 0.715 3.986 613 HG23 ILE 84 HG23 ILE 84 0.790 2.341 3.554 614 HD11 ILE 84 HD11 ILE 84 -3.112 2.322 3.260 615 HD12 ILE 84 HD12 ILE 84 -1.556 1.683 2.730 616 HD13 ILE 84 HD13 ILE 84 -2.882 0.581 3.100 617 H GLY 85 H GLY 85 -1.438 4.591 6.021 618 HA2 GLY 85 HA2 GLY 85 -3.038 4.849 8.425 619 HA3 GLY 85 HA3 GLY 85 -2.877 6.040 7.143 620 H GLN 86 H GLN 86 -3.733 4.858 4.926 621 HA GLN 86 HA GLN 86 -5.656 4.460 3.770 622 HB2 GLN 86 HB2 GLN 86 -5.171 2.281 5.549 623 HB3 GLN 86 HB3 GLN 86 -6.920 2.535 5.441 624 HG2 GLN 86 HG2 GLN 86 -6.901 2.268 3.070 625 HG3 GLN 86 HG3 GLN 86 -5.131 2.260 3.041 626 HE21 GLN 86 HE21 GLN 86 -4.673 0.286 2.302 627 HE22 GLN 86 HE22 GLN 86 -5.188 -1.192 3.032 628 H ASP 87 H ASP 87 -8.210 3.831 4.381 629 HA ASP 87 HA ASP 87 -10.190 4.723 5.056 630 HB2 ASP 87 HB2 ASP 87 -9.335 4.023 7.289 631 HB3 ASP 87 HB3 ASP 87 -8.641 5.639 7.487 632 H GLU 88 H GLU 88 -9.165 6.218 3.188 633 HA GLU 88 HA GLU 88 -8.522 8.885 3.862 634 HB2 GLU 88 HB2 GLU 88 -7.947 7.884 1.696 635 HB3 GLU 88 HB3 GLU 88 -9.668 7.784 1.291 636 HG2 GLU 88 HG2 GLU 88 -9.862 10.197 1.308 637 HG3 GLU 88 HG3 GLU 88 -8.172 10.343 1.811 638 H ALA 89 H ALA 89 -11.544 7.214 3.340 639 HA ALA 89 HA ALA 89 -13.710 7.819 3.697 640 HB1 ALA 89 HB1 ALA 89 -14.155 9.199 5.456 641 HB2 ALA 89 HB2 ALA 89 -12.443 8.897 5.752 642 HB3 ALA 89 HB3 ALA 89 -12.952 10.394 4.969 643 H ASP 90 H ASP 90 -15.082 10.158 3.615 644 HA ASP 90 HA ASP 90 -14.512 11.113 0.894 645 HB2 ASP 90 HB2 ASP 90 -17.007 10.611 2.437 646 HB3 ASP 90 HB3 ASP 90 -17.021 11.972 1.308 647 H ALA 91 H ALA 91 -14.530 12.059 4.156 648 HA ALA 91 HA ALA 91 -14.958 14.878 3.631 649 HB1 ALA 91 HB1 ALA 91 -14.648 15.178 6.019 650 HB2 ALA 91 HB2 ALA 91 -15.782 13.863 5.709 651 HB3 ALA 91 HB3 ALA 91 -14.121 13.503 6.181 652 H TYR 92 H TYR 92 -12.496 12.954 2.916 653 HA TYR 92 HA TYR 92 -10.190 13.955 4.052 654 HB2 TYR 92 HB2 TYR 92 -9.000 13.085 2.193 655 HB3 TYR 92 HB3 TYR 92 -10.400 12.032 2.417 656 HD1 TYR 92 HD1 TYR 92 -12.503 12.570 0.979 657 HD2 TYR 92 HD2 TYR 92 -8.586 13.961 0.069 658 HE1 TYR 92 HE1 TYR 92 -13.178 12.921 -1.360 659 HE2 TYR 92 HE2 TYR 92 -9.251 14.317 -2.272 660 HH TYR 92 HH TYR 92 -11.170 13.209 -3.829 661 H ASP 93 H ASP 93 -8.575 15.432 3.150 662 HA ASP 93 HA ASP 93 -9.130 17.343 1.180 663 HB2 ASP 93 HB2 ASP 93 -10.584 17.827 3.521 664 HB3 ASP 93 HB3 ASP 93 -9.215 18.943 3.600 665 H CYS 94 H CYS 94 -7.600 19.262 1.344 666 HA CYS 94 HA CYS 94 -5.479 20.062 1.516 667 HB2 CYS 94 HB2 CYS 94 -6.116 18.990 4.129 668 HB3 CYS 94 HB3 CYS 94 -4.395 18.813 3.787 669 H ASP 95 H ASP 95 -4.428 19.185 -0.185 670 HA ASP 95 HA ASP 95 -2.652 16.959 0.356 671 HB2 ASP 95 HB2 ASP 95 -5.079 16.416 -0.869 672 HB3 ASP 95 HB3 ASP 95 -3.957 16.569 -2.228 673 H ALA 96 H ALA 96 -2.523 19.861 -0.269 674 HA ALA 96 HA ALA 96 -1.448 20.073 -2.926 675 HB1 ALA 96 HB1 ALA 96 -0.620 22.339 -1.702 676 HB2 ALA 96 HB2 ALA 96 -2.216 22.125 -2.421 677 HB3 ALA 96 HB3 ALA 96 -1.993 21.897 -0.686 678 H ALA 97 H ALA 97 -0.206 19.373 0.229 679 HA ALA 97 HA ALA 97 2.449 20.123 0.016 680 HB1 ALA 97 HB1 ALA 97 0.897 18.468 1.728 681 HB2 ALA 97 HB2 ALA 97 2.381 17.607 1.318 682 HB3 ALA 97 HB3 ALA 97 2.465 19.215 2.039 683 H LYS 98 H LYS 98 0.762 17.490 -1.510 684 HA LYS 98 HA LYS 98 3.242 16.264 -2.432 685 HB2 LYS 98 HB2 LYS 98 0.467 15.429 -2.117 686 HB3 LYS 98 HB3 LYS 98 1.130 14.970 -3.694 687 HG2 LYS 98 HG2 LYS 98 1.468 13.159 -2.165 688 HG3 LYS 98 HG3 LYS 98 3.036 13.896 -2.536 689 HD2 LYS 98 HD2 LYS 98 3.387 14.092 -0.342 690 HD3 LYS 98 HD3 LYS 98 2.088 15.299 -0.315 691 HE2 LYS 98 HE2 LYS 98 1.373 13.781 1.290 692 HE3 LYS 98 HE3 LYS 98 0.513 13.244 -0.161 693 HZ1 LYS 98 HZ1 LYS 98 1.484 11.278 -0.001 694 HZ2 LYS 98 HZ2 LYS 98 2.239 11.762 1.432 695 HZ3 LYS 98 HZ3 LYS 98 3.024 11.976 -0.051 696 H ARG 99 H ARG 99 3.635 15.876 -4.695 697 HA ARG 99 HA ARG 99 2.127 17.142 -6.737 698 HB2 ARG 99 HB2 ARG 99 4.311 18.647 -7.247 699 HB3 ARG 99 HB3 ARG 99 2.894 19.239 -6.367 700 HG2 ARG 99 HG2 ARG 99 3.947 19.203 -4.330 701 HG3 ARG 99 HG3 ARG 99 5.085 17.940 -4.830 702 HD2 ARG 99 HD2 ARG 99 6.256 19.543 -6.272 703 HD3 ARG 99 HD3 ARG 99 5.109 20.801 -5.788 704 HE ARG 99 HE ARG 99 6.411 19.621 -3.539 705 HH11 ARG 99 HH11 ARG 99 6.783 21.951 -6.100 706 HH12 ARG 99 HH12 ARG 99 7.936 22.913 -5.234 707 HH21 ARG 99 HH21 ARG 99 7.928 20.878 -2.390 708 HH22 ARG 99 HH22 ARG 99 8.587 22.301 -3.125 709 H GLY 100 H GLY 100 5.656 16.885 -6.342 710 HA2 GLY 100 HA2 GLY 100 7.098 15.262 -7.207 711 HA3 GLY 100 HA3 GLY 100 5.724 14.489 -7.984 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -22.207 42.574 -30.293 2 HA2 GLY 1 HA2 GLY 1 -21.645 39.932 -30.368 3 HA3 GLY 1 HA3 GLY 1 -20.164 40.647 -30.987 4 H SER 2 H SER 2 -21.161 39.254 -28.374 5 HA SER 2 HA SER 2 -20.441 41.248 -26.391 6 HB2 SER 2 HB2 SER 2 -21.191 38.320 -26.118 7 HB3 SER 2 HB3 SER 2 -20.891 39.420 -24.761 8 HG SER 2 HG SER 2 -23.108 39.172 -26.333 9 H ARG 3 H ARG 3 -19.092 38.347 -27.853 10 HA ARG 3 HA ARG 3 -17.036 37.373 -27.736 11 HB2 ARG 3 HB2 ARG 3 -16.404 40.295 -27.373 12 HB3 ARG 3 HB3 ARG 3 -15.124 39.073 -27.406 13 HG2 ARG 3 HG2 ARG 3 -15.268 38.770 -29.626 14 HG3 ARG 3 HG3 ARG 3 -17.034 38.907 -29.625 15 HD2 ARG 3 HD2 ARG 3 -16.164 40.764 -30.861 16 HD3 ARG 3 HD3 ARG 3 -16.777 41.369 -29.316 17 HE ARG 3 HE ARG 3 -14.145 40.919 -28.823 18 HH11 ARG 3 HH11 ARG 3 -15.885 42.719 -31.241 19 HH12 ARG 3 HH12 ARG 3 -14.636 43.901 -31.449 20 HH21 ARG 3 HH21 ARG 3 -12.493 42.468 -29.086 21 HH22 ARG 3 HH22 ARG 3 -12.705 43.757 -30.222 22 H ARG 4 H ARG 4 -17.760 36.266 -25.772 23 HA ARG 4 HA ARG 4 -15.934 36.810 -23.577 24 HB2 ARG 4 HB2 ARG 4 -18.912 37.016 -23.390 25 HB3 ARG 4 HB3 ARG 4 -18.013 36.361 -22.014 26 HG2 ARG 4 HG2 ARG 4 -16.698 38.393 -21.846 27 HG3 ARG 4 HG3 ARG 4 -17.515 39.050 -23.273 28 HD2 ARG 4 HD2 ARG 4 -19.588 39.231 -22.148 29 HD3 ARG 4 HD3 ARG 4 -19.030 38.201 -20.822 30 HE ARG 4 HE ARG 4 -17.453 40.561 -21.050 31 HH11 ARG 4 HH11 ARG 4 -20.493 39.337 -19.879 32 HH12 ARG 4 HH12 ARG 4 -20.664 40.554 -18.659 33 HH21 ARG 4 HH21 ARG 4 -17.665 42.171 -19.447 34 HH22 ARG 4 HH22 ARG 4 -19.054 42.167 -18.415 35 H ALA 5 H ALA 5 -14.884 34.915 -23.626 36 HA ALA 5 HA ALA 5 -16.209 32.546 -22.756 37 HB1 ALA 5 HB1 ALA 5 -15.337 31.279 -24.892 38 HB2 ALA 5 HB2 ALA 5 -16.926 32.045 -24.870 39 HB3 ALA 5 HB3 ALA 5 -15.566 32.857 -25.645 40 H SER 6 H SER 6 -14.721 32.167 -21.217 41 HA SER 6 HA SER 6 -12.033 31.445 -22.089 42 HB2 SER 6 HB2 SER 6 -12.144 33.078 -19.601 43 HB3 SER 6 HB3 SER 6 -10.880 32.978 -20.839 44 HG SER 6 HG SER 6 -12.362 34.962 -20.634 45 H VAL 7 H VAL 7 -10.775 30.533 -20.131 46 HA VAL 7 HA VAL 7 -12.483 29.279 -18.136 47 HB VAL 7 HB VAL 7 -11.638 27.018 -18.614 48 HG11 VAL 7 HG11 VAL 7 -13.780 28.047 -19.620 49 HG12 VAL 7 HG12 VAL 7 -12.888 28.029 -21.142 50 HG13 VAL 7 HG13 VAL 7 -13.186 26.522 -20.276 51 HG21 VAL 7 HG21 VAL 7 -9.838 26.774 -19.895 52 HG22 VAL 7 HG22 VAL 7 -10.820 27.219 -21.291 53 HG23 VAL 7 HG23 VAL 7 -9.922 28.457 -20.412 54 H GLY 8 H GLY 8 -10.895 27.594 -16.894 55 HA2 GLY 8 HA2 GLY 8 -8.746 29.306 -15.921 56 HA3 GLY 8 HA3 GLY 8 -9.350 27.851 -15.145 57 H SER 9 H SER 9 -7.676 26.515 -14.935 58 HA SER 9 HA SER 9 -6.218 25.751 -17.354 59 HB2 SER 9 HB2 SER 9 -4.934 27.516 -15.997 60 HB3 SER 9 HB3 SER 9 -4.733 26.247 -14.776 61 HG SER 9 HG SER 9 -2.972 26.295 -16.228 62 H GLU 10 H GLU 10 -5.093 23.696 -17.146 63 HA GLU 10 HA GLU 10 -6.234 21.996 -15.026 64 HB2 GLU 10 HB2 GLU 10 -6.704 21.820 -17.771 65 HB3 GLU 10 HB3 GLU 10 -5.523 20.544 -17.436 66 HG2 GLU 10 HG2 GLU 10 -7.365 20.294 -15.381 67 HG3 GLU 10 HG3 GLU 10 -8.344 20.667 -16.807 68 H PHE 11 H PHE 11 -4.867 20.702 -13.933 69 HA PHE 11 HA PHE 11 -2.293 19.958 -14.977 70 HB2 PHE 11 HB2 PHE 11 -2.593 22.217 -13.087 71 HB3 PHE 11 HB3 PHE 11 -1.356 21.031 -12.663 72 HD1 PHE 11 HD2 PHE 11 0.301 20.365 -14.557 73 HD2 PHE 11 HD1 PHE 11 -2.042 23.919 -14.559 74 HE1 PHE 11 HE2 PHE 11 1.870 21.395 -16.149 75 HE2 PHE 11 HE1 PHE 11 -0.478 24.954 -16.152 76 HZ PHE 11 HZ PHE 11 1.481 23.692 -16.949 77 H MET 12 H MET 12 -1.024 18.707 -13.286 78 HA MET 12 HA MET 12 -2.923 17.132 -11.685 79 HB2 MET 12 HB2 MET 12 -1.500 15.253 -11.935 80 HB3 MET 12 HB3 MET 12 -1.613 16.003 -13.535 81 HG2 MET 12 HG2 MET 12 0.578 17.263 -12.576 82 HG3 MET 12 HG3 MET 12 0.698 15.711 -11.743 83 HE1 MET 12 HE1 MET 12 2.226 13.449 -14.131 84 HE2 MET 12 HE2 MET 12 2.953 14.665 -13.081 85 HE3 MET 12 HE3 MET 12 1.539 13.760 -12.537 86 H VAL 13 H VAL 13 -1.423 15.857 -9.916 87 HA VAL 13 HA VAL 13 -0.410 18.020 -8.220 88 HB VAL 13 HB VAL 13 -0.601 16.407 -6.367 89 HG11 VAL 13 HG11 VAL 13 -2.495 17.740 -6.583 90 HG12 VAL 13 HG12 VAL 13 -2.985 16.968 -8.092 91 HG13 VAL 13 HG13 VAL 13 -3.153 16.103 -6.564 92 HG21 VAL 13 HG21 VAL 13 -0.737 14.526 -8.501 93 HG22 VAL 13 HG22 VAL 13 -0.648 14.223 -6.766 94 HG23 VAL 13 HG23 VAL 13 -2.218 14.407 -7.550 95 H VAL 14 H VAL 14 1.453 17.476 -6.782 96 HA VAL 14 HA VAL 14 3.505 16.043 -8.330 97 HB VAL 14 HB VAL 14 5.129 17.364 -6.908 98 HG11 VAL 14 HG11 VAL 14 4.021 19.585 -8.201 99 HG12 VAL 14 HG12 VAL 14 5.248 18.482 -8.826 100 HG13 VAL 14 HG13 VAL 14 3.541 18.186 -9.161 101 HG21 VAL 14 HG21 VAL 14 2.895 19.266 -6.367 102 HG22 VAL 14 HG22 VAL 14 3.166 17.916 -5.266 103 HG23 VAL 14 HG23 VAL 14 4.447 19.094 -5.550 104 H ASP 15 H ASP 15 2.391 14.116 -7.250 105 HA ASP 15 HA ASP 15 4.006 13.365 -4.959 106 HB2 ASP 15 HB2 ASP 15 1.344 14.248 -4.595 107 HB3 ASP 15 HB3 ASP 15 1.322 12.489 -4.410 108 H VAL 16 H VAL 16 3.181 10.983 -4.302 109 HA VAL 16 HA VAL 16 2.422 9.438 -6.645 110 HB VAL 16 HB VAL 16 4.947 9.734 -6.690 111 HG11 VAL 16 HG11 VAL 16 5.082 9.415 -4.151 112 HG12 VAL 16 HG12 VAL 16 4.970 7.689 -4.495 113 HG13 VAL 16 HG13 VAL 16 6.311 8.632 -5.144 114 HG21 VAL 16 HG21 VAL 16 4.750 6.868 -6.512 115 HG22 VAL 16 HG22 VAL 16 3.313 7.541 -7.283 116 HG23 VAL 16 HG23 VAL 16 4.912 7.893 -7.939 117 H THR 17 H THR 17 1.468 10.033 -3.862 118 HA THR 17 HA THR 17 0.531 8.962 -2.078 119 HB THR 17 HB THR 17 -0.732 7.033 -2.543 120 HG1 THR 17 HG1 THR 17 0.524 5.483 -3.326 121 HG21 THR 17 HG21 THR 17 -0.315 8.396 -5.206 122 HG22 THR 17 HG22 THR 17 -1.378 8.967 -3.921 123 HG23 THR 17 HG23 THR 17 -1.719 7.440 -4.735 124 H ILE 18 H ILE 18 0.560 6.463 -1.064 125 HA ILE 18 HA ILE 18 3.399 6.087 -0.416 126 HB ILE 18 HB ILE 18 1.130 4.870 1.129 127 HG12 ILE 18 HG12 ILE 18 2.163 7.699 1.215 128 HG13 ILE 18 HG13 ILE 18 0.483 7.137 1.153 129 HG21 ILE 18 HG21 ILE 18 3.486 4.158 1.517 130 HG22 ILE 18 HG22 ILE 18 3.853 5.809 2.012 131 HG23 ILE 18 HG23 ILE 18 2.700 4.847 2.937 132 HD11 ILE 18 HD11 ILE 18 0.776 6.215 3.448 133 HD12 ILE 18 HD12 ILE 18 2.352 7.004 3.501 134 HD13 ILE 18 HD13 ILE 18 0.887 7.971 3.339 135 H GLU 19 H GLU 19 4.314 4.005 -0.318 136 HA GLU 19 HA GLU 19 2.907 1.644 -1.000 137 HB2 GLU 19 HB2 GLU 19 4.096 1.268 -3.207 138 HB3 GLU 19 HB3 GLU 19 2.780 2.451 -3.223 139 HG2 GLU 19 HG2 GLU 19 4.368 4.283 -3.141 140 HG3 GLU 19 HG3 GLU 19 5.706 3.130 -3.042 141 H ASP 20 H ASP 20 3.999 0.047 -0.078 142 HA ASP 20 HA ASP 20 6.875 -0.123 -0.274 143 HB2 ASP 20 HB2 ASP 20 5.720 1.125 1.991 144 HB3 ASP 20 HB3 ASP 20 6.273 -0.472 2.512 145 H SER 21 H SER 21 7.707 -2.174 0.418 146 HA SER 21 HA SER 21 5.627 -4.254 0.490 147 HB2 SER 21 HB2 SER 21 8.271 -5.274 -0.102 148 HB3 SER 21 HB3 SER 21 6.793 -5.357 -1.075 149 HG SER 21 HG SER 21 7.931 -4.083 -2.332 150 H TYR 22 H TYR 22 5.302 -4.490 2.665 151 HA TYR 22 HA TYR 22 7.582 -4.842 4.436 152 HB2 TYR 22 HB2 TYR 22 5.021 -3.793 4.760 153 HB3 TYR 22 HB3 TYR 22 4.970 -5.332 5.624 154 HD1 TYR 22 HD1 TYR 22 6.683 -2.067 5.458 155 HD2 TYR 22 HD2 TYR 22 6.144 -5.659 7.675 156 HE1 TYR 22 HE1 TYR 22 7.834 -1.048 7.378 157 HE2 TYR 22 HE2 TYR 22 7.293 -4.648 9.601 158 HH TYR 22 HH TYR 22 8.161 -1.267 9.658 159 H SER 23 H SER 23 5.162 -6.727 2.815 160 HA SER 23 HA SER 23 5.279 -9.060 4.392 161 HB2 SER 23 HB2 SER 23 4.827 -9.257 1.438 162 HB3 SER 23 HB3 SER 23 3.964 -10.048 2.769 163 HG SER 23 HG SER 23 2.542 -8.535 2.424 164 H THR 24 H THR 24 5.966 -11.198 3.050 165 HA THR 24 HA THR 24 8.848 -10.860 2.604 166 HB THR 24 HB THR 24 7.309 -13.400 3.177 167 HG1 THR 24 HG1 THR 24 7.492 -11.751 4.912 168 HG21 THR 24 HG21 THR 24 9.206 -14.217 2.200 169 HG22 THR 24 HG22 THR 24 9.812 -14.000 3.842 170 HG23 THR 24 HG23 THR 24 10.161 -12.791 2.607 171 H GLU 25 H GLU 25 5.945 -12.295 1.192 172 HA GLU 25 HA GLU 25 7.369 -12.451 -1.376 173 HB2 GLU 25 HB2 GLU 25 5.431 -14.503 -0.280 174 HB3 GLU 25 HB3 GLU 25 6.138 -14.523 -1.902 175 HG2 GLU 25 HG2 GLU 25 8.255 -14.319 -0.006 176 HG3 GLU 25 HG3 GLU 25 7.172 -15.631 0.483 177 H SER 26 H SER 26 4.058 -13.001 -0.171 178 HA SER 26 HA SER 26 2.721 -12.073 -2.413 179 HB2 SER 26 HB2 SER 26 1.740 -11.791 0.443 180 HB3 SER 26 HB3 SER 26 0.753 -11.911 -1.025 181 HG SER 26 HG SER 26 0.918 -13.997 -0.930 182 H ALA 27 H ALA 27 2.162 -10.124 -3.201 183 HA ALA 27 HA ALA 27 2.967 -7.754 -1.643 184 HB1 ALA 27 HB1 ALA 27 4.336 -7.348 -3.359 185 HB2 ALA 27 HB2 ALA 27 3.545 -8.546 -4.383 186 HB3 ALA 27 HB3 ALA 27 2.883 -6.916 -4.262 187 H TRP 28 H TRP 28 1.716 -5.806 -2.005 188 HA TRP 28 HA TRP 28 -1.112 -6.433 -2.431 189 HB2 TRP 28 HB2 TRP 28 0.371 -4.328 -0.903 190 HB3 TRP 28 HB3 TRP 28 -1.265 -3.977 -1.460 191 HD1 TRP 28 HD1 TRP 28 0.445 -5.389 1.434 192 HE1 TRP 28 HE1 TRP 28 -1.180 -6.718 2.923 193 HE3 TRP 28 HE3 TRP 28 -3.480 -5.801 -1.815 194 HZ2 TRP 28 HZ2 TRP 28 -3.783 -7.798 2.745 195 HZ3 TRP 28 HZ3 TRP 28 -5.501 -6.996 -1.078 196 HH2 TRP 28 HH2 TRP 28 -5.647 -7.974 1.155 197 H VAL 29 H VAL 29 -2.215 -5.703 -4.136 198 HA VAL 29 HA VAL 29 -1.069 -3.506 -5.724 199 HB VAL 29 HB VAL 29 -1.930 -4.706 -7.777 200 HG11 VAL 29 HG11 VAL 29 0.061 -6.042 -8.030 201 HG12 VAL 29 HG12 VAL 29 0.460 -4.569 -7.144 202 HG13 VAL 29 HG13 VAL 29 0.288 -6.098 -6.283 203 HG21 VAL 29 HG21 VAL 29 -2.283 -7.083 -7.673 204 HG22 VAL 29 HG22 VAL 29 -1.921 -7.103 -5.947 205 HG23 VAL 29 HG23 VAL 29 -3.376 -6.297 -6.533 206 H ARG 30 H ARG 30 -2.531 -2.130 -6.706 207 HA ARG 30 HA ARG 30 -5.316 -2.433 -5.808 208 HB2 ARG 30 HB2 ARG 30 -4.075 -0.441 -4.986 209 HB3 ARG 30 HB3 ARG 30 -3.883 0.086 -6.665 210 HG2 ARG 30 HG2 ARG 30 -6.610 -0.349 -6.427 211 HG3 ARG 30 HG3 ARG 30 -6.143 0.382 -4.881 212 HD2 ARG 30 HD2 ARG 30 -6.745 2.140 -6.419 213 HD3 ARG 30 HD3 ARG 30 -5.002 2.193 -6.126 214 HE ARG 30 HE ARG 30 -5.757 0.672 -8.454 215 HH11 ARG 30 HH11 ARG 30 -4.932 3.816 -7.206 216 HH12 ARG 30 HH12 ARG 30 -4.423 4.435 -8.741 217 HH21 ARG 30 HH21 ARG 30 -5.088 1.476 -10.481 218 HH22 ARG 30 HH22 ARG 30 -4.513 3.104 -10.604 219 H CYS 31 H CYS 31 -7.001 -2.252 -7.236 220 HA CYS 31 HA CYS 31 -6.415 -2.827 -9.983 221 HB2 CYS 31 HB2 CYS 31 -8.318 -3.847 -8.753 222 HB3 CYS 31 HB3 CYS 31 -9.084 -2.260 -8.676 223 H ASP 32 H ASP 32 -6.557 -1.527 -11.735 224 HA ASP 32 HA ASP 32 -6.885 1.334 -11.225 225 HB2 ASP 32 HB2 ASP 32 -4.930 0.109 -12.558 226 HB3 ASP 32 HB3 ASP 32 -6.072 0.293 -13.897 227 H ASP 33 H ASP 33 -9.191 -0.426 -11.306 228 HA ASP 33 HA ASP 33 -10.653 0.925 -13.457 229 HB2 ASP 33 HB2 ASP 33 -9.955 -1.580 -13.919 230 HB3 ASP 33 HB3 ASP 33 -11.326 -1.928 -12.856 231 H CYS 34 H CYS 34 -10.807 -0.968 -10.473 232 HA CYS 34 HA CYS 34 -13.323 0.420 -9.813 233 HB2 CYS 34 HB2 CYS 34 -13.970 -1.481 -8.469 234 HB3 CYS 34 HB3 CYS 34 -13.577 -2.032 -10.098 235 H PHE 35 H PHE 35 -10.075 0.099 -9.058 236 HA PHE 35 HA PHE 35 -8.762 0.883 -7.375 237 HB2 PHE 35 HB2 PHE 35 -11.259 2.386 -6.546 238 HB3 PHE 35 HB3 PHE 35 -9.610 2.747 -6.030 239 HD1 PHE 35 HD1 PHE 35 -8.010 3.778 -7.531 240 HD2 PHE 35 HD2 PHE 35 -12.002 2.978 -8.774 241 HE1 PHE 35 HE1 PHE 35 -7.704 5.271 -9.462 242 HE2 PHE 35 HE2 PHE 35 -11.702 4.470 -10.706 243 HZ PHE 35 HZ PHE 35 -9.551 5.619 -11.053 244 H LYS 36 H LYS 36 -8.963 -1.426 -6.663 245 HA LYS 36 HA LYS 36 -9.872 -1.473 -3.883 246 HB2 LYS 36 HB2 LYS 36 -11.436 -2.614 -5.764 247 HB3 LYS 36 HB3 LYS 36 -10.346 -3.964 -5.412 248 HG2 LYS 36 HG2 LYS 36 -11.995 -4.389 -3.896 249 HG3 LYS 36 HG3 LYS 36 -10.929 -3.362 -2.921 250 HD2 LYS 36 HD2 LYS 36 -12.299 -1.435 -3.289 251 HD3 LYS 36 HD3 LYS 36 -13.264 -2.296 -4.501 252 HE2 LYS 36 HE2 LYS 36 -13.523 -3.939 -2.325 253 HE3 LYS 36 HE3 LYS 36 -13.445 -2.337 -1.576 254 HZ1 LYS 36 HZ1 LYS 36 -15.575 -2.116 -2.088 255 HZ2 LYS 36 HZ2 LYS 36 -15.579 -3.532 -3.014 256 HZ3 LYS 36 HZ3 LYS 36 -15.145 -2.059 -3.723 257 H TRP 37 H TRP 37 -8.701 -2.841 -2.535 258 HA TRP 37 HA TRP 37 -6.024 -3.372 -3.361 259 HB2 TRP 37 HB2 TRP 37 -7.603 -3.650 -0.850 260 HB3 TRP 37 HB3 TRP 37 -6.154 -4.645 -1.000 261 HD1 TRP 37 HD1 TRP 37 -6.945 -1.654 0.631 262 HE1 TRP 37 HE1 TRP 37 -4.992 0.020 0.723 263 HE3 TRP 37 HE3 TRP 37 -4.000 -3.639 -3.046 264 HZ2 TRP 37 HZ2 TRP 37 -2.529 0.444 -0.590 265 HZ3 TRP 37 HZ3 TRP 37 -1.862 -2.539 -3.567 266 HH2 TRP 37 HH2 TRP 37 -1.143 -0.540 -2.364 267 H ARG 38 H ARG 38 -4.985 -5.324 -3.689 268 HA ARG 38 HA ARG 38 -6.525 -7.790 -3.584 269 HB2 ARG 38 HB2 ARG 38 -6.030 -6.342 -6.030 270 HB3 ARG 38 HB3 ARG 38 -5.214 -7.911 -6.071 271 HG2 ARG 38 HG2 ARG 38 -8.147 -7.477 -5.500 272 HG3 ARG 38 HG3 ARG 38 -7.453 -8.029 -7.034 273 HD2 ARG 38 HD2 ARG 38 -6.432 -9.962 -5.746 274 HD3 ARG 38 HD3 ARG 38 -7.444 -9.457 -4.384 275 HE ARG 38 HE ARG 38 -8.287 -10.901 -6.687 276 HH11 ARG 38 HH11 ARG 38 -9.322 -8.547 -4.340 277 HH12 ARG 38 HH12 ARG 38 -11.001 -8.943 -4.491 278 HH21 ARG 38 HH21 ARG 38 -10.496 -11.431 -6.895 279 HH22 ARG 38 HH22 ARG 38 -11.668 -10.584 -5.943 280 H ARG 39 H ARG 39 -5.296 -9.349 -2.769 281 HA ARG 39 HA ARG 39 -2.438 -8.931 -2.516 282 HB2 ARG 39 HB2 ARG 39 -4.135 -9.881 -0.746 283 HB3 ARG 39 HB3 ARG 39 -3.822 -11.411 -1.578 284 HG2 ARG 39 HG2 ARG 39 -1.288 -10.544 -1.209 285 HG3 ARG 39 HG3 ARG 39 -2.092 -9.844 0.207 286 HD2 ARG 39 HD2 ARG 39 -3.118 -12.212 0.509 287 HD3 ARG 39 HD3 ARG 39 -1.813 -12.723 -0.570 288 HE ARG 39 HE ARG 39 -0.622 -11.210 1.409 289 HH11 ARG 39 HH11 ARG 39 -2.495 -14.137 1.210 290 HH12 ARG 39 HH12 ARG 39 -1.759 -14.858 2.604 291 HH21 ARG 39 HH21 ARG 39 0.355 -12.148 3.245 292 HH22 ARG 39 HH22 ARG 39 -0.138 -13.725 3.761 293 H ILE 40 H ILE 40 -0.981 -9.727 -3.871 294 HA ILE 40 HA ILE 40 -1.670 -12.124 -5.439 295 HB ILE 40 HB ILE 40 -0.626 -11.258 -7.388 296 HG12 ILE 40 HG12 ILE 40 0.214 -8.930 -5.644 297 HG13 ILE 40 HG13 ILE 40 1.273 -10.132 -6.399 298 HG21 ILE 40 HG21 ILE 40 -2.297 -9.050 -6.192 299 HG22 ILE 40 HG22 ILE 40 -1.995 -9.318 -7.907 300 HG23 ILE 40 HG23 ILE 40 -2.924 -10.497 -6.980 301 HD11 ILE 40 HD11 ILE 40 1.432 -8.132 -7.669 302 HD12 ILE 40 HD12 ILE 40 0.517 -9.299 -8.624 303 HD13 ILE 40 HD13 ILE 40 -0.323 -7.997 -7.784 304 HA PRO 41 HA PRO 41 2.124 -13.860 -4.072 305 HB2 PRO 41 HB2 PRO 41 2.767 -15.450 -6.209 306 HB3 PRO 41 HB3 PRO 41 1.454 -15.809 -5.088 307 HG2 PRO 41 HG2 PRO 41 1.351 -14.480 -7.775 308 HG3 PRO 41 HG3 PRO 41 0.291 -15.774 -7.100 309 HD2 PRO 41 HD2 PRO 41 -0.459 -13.165 -7.199 310 HD3 PRO 41 HD3 PRO 41 -0.956 -14.256 -5.894 311 H ALA 42 H ALA 42 4.397 -13.833 -4.374 312 HA ALA 42 HA ALA 42 5.395 -11.507 -5.648 313 HB1 ALA 42 HB1 ALA 42 7.230 -13.714 -4.864 314 HB2 ALA 42 HB2 ALA 42 7.391 -11.973 -4.632 315 HB3 ALA 42 HB3 ALA 42 6.296 -12.901 -3.607 316 H SER 43 H SER 43 4.639 -14.559 -6.854 317 HA SER 43 HA SER 43 6.685 -14.743 -8.854 318 HB2 SER 43 HB2 SER 43 4.153 -16.229 -8.235 319 HB3 SER 43 HB3 SER 43 4.906 -16.430 -9.827 320 HG SER 43 HG SER 43 5.734 -17.337 -7.365 321 H VAL 44 H VAL 44 3.394 -13.509 -8.706 322 HA VAL 44 HA VAL 44 3.427 -12.843 -11.545 323 HB VAL 44 HB VAL 44 1.369 -13.777 -10.462 324 HG11 VAL 44 HG11 VAL 44 1.525 -12.616 -8.329 325 HG12 VAL 44 HG12 VAL 44 1.273 -11.068 -9.138 326 HG13 VAL 44 HG13 VAL 44 -0.016 -12.272 -9.114 327 HG21 VAL 44 HG21 VAL 44 1.597 -12.007 -12.480 328 HG22 VAL 44 HG22 VAL 44 0.065 -12.719 -11.973 329 HG23 VAL 44 HG23 VAL 44 0.524 -11.114 -11.402 330 H VAL 45 H VAL 45 3.652 -11.316 -8.407 331 HA VAL 45 HA VAL 45 3.184 -8.658 -9.109 332 HB VAL 45 HB VAL 45 3.667 -9.791 -6.777 333 HG11 VAL 45 HG11 VAL 45 5.836 -9.499 -5.915 334 HG12 VAL 45 HG12 VAL 45 6.065 -10.240 -7.500 335 HG13 VAL 45 HG13 VAL 45 6.337 -8.510 -7.286 336 HG21 VAL 45 HG21 VAL 45 4.667 -7.243 -6.299 337 HG22 VAL 45 HG22 VAL 45 3.695 -7.070 -7.760 338 HG23 VAL 45 HG23 VAL 45 2.972 -7.730 -6.292 339 H GLY 46 H GLY 46 5.898 -10.709 -9.751 340 HA2 GLY 46 HA2 GLY 46 7.541 -8.412 -10.562 341 HA3 GLY 46 HA3 GLY 46 8.116 -10.058 -10.342 342 H SER 47 H SER 47 5.166 -9.530 -12.071 343 HA SER 47 HA SER 47 6.552 -9.766 -14.644 344 HB2 SER 47 HB2 SER 47 4.316 -11.572 -13.677 345 HB3 SER 47 HB3 SER 47 4.896 -11.504 -15.350 346 HG SER 47 HG SER 47 6.090 -13.093 -14.513 347 H ILE 48 H ILE 48 3.522 -9.179 -12.924 348 HA ILE 48 HA ILE 48 2.151 -8.079 -15.166 349 HB ILE 48 HB ILE 48 0.506 -7.267 -13.526 350 HG12 ILE 48 HG12 ILE 48 1.056 -8.269 -11.111 351 HG13 ILE 48 HG13 ILE 48 2.713 -7.942 -11.645 352 HG21 ILE 48 HG21 ILE 48 0.187 -9.486 -14.284 353 HG22 ILE 48 HG22 ILE 48 1.467 -10.102 -13.238 354 HG23 ILE 48 HG23 ILE 48 -0.044 -9.522 -12.536 355 HD11 ILE 48 HD11 ILE 48 1.357 -5.626 -12.289 356 HD12 ILE 48 HD12 ILE 48 0.685 -6.102 -10.730 357 HD13 ILE 48 HD13 ILE 48 2.425 -5.875 -10.908 358 H ASP 49 H ASP 49 4.556 -6.878 -13.089 359 HA ASP 49 HA ASP 49 3.820 -4.098 -13.295 360 HB2 ASP 49 HB2 ASP 49 6.153 -5.604 -12.146 361 HB3 ASP 49 HB3 ASP 49 6.256 -3.854 -12.381 362 H GLU 50 H GLU 50 3.742 -4.768 -15.797 363 HA GLU 50 HA GLU 50 6.353 -4.179 -17.004 364 HB2 GLU 50 HB2 GLU 50 5.454 -5.037 -19.079 365 HB3 GLU 50 HB3 GLU 50 5.174 -6.211 -17.785 366 HG2 GLU 50 HG2 GLU 50 2.861 -5.550 -17.604 367 HG3 GLU 50 HG3 GLU 50 3.113 -4.265 -18.792 368 H SER 51 H SER 51 3.211 -2.887 -16.448 369 HA SER 51 HA SER 51 3.962 -0.475 -17.944 370 HB2 SER 51 HB2 SER 51 2.192 -2.089 -19.068 371 HB3 SER 51 HB3 SER 51 1.089 -1.310 -17.920 372 HG SER 51 HG SER 51 1.524 0.659 -18.836 373 H SER 52 H SER 52 3.513 -1.630 -15.035 374 HA SER 52 HA SER 52 3.027 -0.734 -13.002 375 HB2 SER 52 HB2 SER 52 2.411 1.944 -14.193 376 HB3 SER 52 HB3 SER 52 3.298 1.544 -12.712 377 HG SER 52 HG SER 52 4.916 0.619 -14.259 378 H ARG 53 H ARG 53 0.921 -1.620 -15.018 379 HA ARG 53 HA ARG 53 -1.387 -0.462 -13.600 380 HB2 ARG 53 HB2 ARG 53 -0.927 -0.924 -16.508 381 HB3 ARG 53 HB3 ARG 53 -2.556 -1.208 -15.877 382 HG2 ARG 53 HG2 ARG 53 -2.749 1.047 -15.111 383 HG3 ARG 53 HG3 ARG 53 -1.045 1.360 -15.477 384 HD2 ARG 53 HD2 ARG 53 -1.403 1.538 -17.730 385 HD3 ARG 53 HD3 ARG 53 -2.760 0.405 -17.699 386 HE ARG 53 HE ARG 53 -3.531 2.712 -16.323 387 HH11 ARG 53 HH11 ARG 53 -2.706 1.709 -19.553 388 HH12 ARG 53 HH12 ARG 53 -3.707 2.899 -20.318 389 HH21 ARG 53 HH21 ARG 53 -4.852 4.283 -17.319 390 HH22 ARG 53 HH22 ARG 53 -4.926 4.363 -19.046 391 H TRP 54 H TRP 54 -2.766 -1.867 -12.690 392 HA TRP 54 HA TRP 54 -2.759 -4.660 -13.548 393 HB2 TRP 54 HB2 TRP 54 -1.096 -4.403 -11.683 394 HB3 TRP 54 HB3 TRP 54 -2.423 -3.879 -10.647 395 HD1 TRP 54 HD1 TRP 54 -0.856 -6.997 -12.091 396 HE1 TRP 54 HE1 TRP 54 -2.045 -9.069 -11.134 397 HE3 TRP 54 HE3 TRP 54 -4.803 -4.686 -9.805 398 HZ2 TRP 54 HZ2 TRP 54 -4.351 -9.648 -9.612 399 HZ3 TRP 54 HZ3 TRP 54 -6.455 -6.072 -8.621 400 HH2 TRP 54 HH2 TRP 54 -6.233 -8.501 -8.527 401 H ILE 55 H ILE 55 -4.656 -5.795 -13.058 402 HA ILE 55 HA ILE 55 -6.802 -4.318 -11.724 403 HB ILE 55 HB ILE 55 -8.359 -5.155 -13.595 404 HG12 ILE 55 HG12 ILE 55 -5.679 -5.220 -15.004 405 HG13 ILE 55 HG13 ILE 55 -6.775 -6.591 -14.752 406 HG21 ILE 55 HG21 ILE 55 -6.878 -3.070 -14.911 407 HG22 ILE 55 HG22 ILE 55 -8.449 -2.998 -14.117 408 HG23 ILE 55 HG23 ILE 55 -6.975 -2.765 -13.177 409 HD11 ILE 55 HD11 ILE 55 -7.486 -6.148 -16.817 410 HD12 ILE 55 HD12 ILE 55 -8.393 -4.839 -16.059 411 HD13 ILE 55 HD13 ILE 55 -6.826 -4.514 -16.800 412 H CYS 56 H CYS 56 -8.820 -5.791 -11.584 413 HA CYS 56 HA CYS 56 -8.119 -8.086 -10.121 414 HB2 CYS 56 HB2 CYS 56 -10.806 -7.463 -11.371 415 HB3 CYS 56 HB3 CYS 56 -10.504 -8.542 -10.008 416 H MET 57 H MET 57 -9.617 -7.789 -13.341 417 HA MET 57 HA MET 57 -9.729 -10.518 -13.927 418 HB2 MET 57 HB2 MET 57 -9.809 -9.802 -16.313 419 HB3 MET 57 HB3 MET 57 -10.951 -8.942 -15.271 420 HG2 MET 57 HG2 MET 57 -8.651 -7.370 -15.219 421 HG3 MET 57 HG3 MET 57 -8.801 -7.909 -16.893 422 HE1 MET 57 HE1 MET 57 -11.468 -5.056 -14.581 423 HE2 MET 57 HE2 MET 57 -11.713 -6.750 -14.158 424 HE3 MET 57 HE3 MET 57 -10.115 -6.021 -13.990 425 H ASN 58 H ASN 58 -7.056 -8.365 -13.818 426 HA ASN 58 HA ASN 58 -5.352 -9.933 -15.537 427 HB2 ASN 58 HB2 ASN 58 -5.131 -7.415 -13.993 428 HB3 ASN 58 HB3 ASN 58 -3.630 -8.326 -14.193 429 HD21 ASN 58 HD21 ASN 58 -6.374 -7.994 -16.393 430 HD22 ASN 58 HD22 ASN 58 -5.476 -7.286 -17.688 431 H ASN 59 H ASN 59 -6.448 -10.240 -12.393 432 HA ASN 59 HA ASN 59 -4.218 -11.112 -10.967 433 HB2 ASN 59 HB2 ASN 59 -6.602 -10.669 -10.127 434 HB3 ASN 59 HB3 ASN 59 -6.962 -12.319 -10.650 435 HD21 ASN 59 HD21 ASN 59 -7.466 -12.532 -8.331 436 HD22 ASN 59 HD22 ASN 59 -6.184 -12.958 -7.256 437 H SER 60 H SER 60 -3.346 -13.157 -10.562 438 HA SER 60 HA SER 60 -3.251 -14.890 -12.822 439 HB2 SER 60 HB2 SER 60 -1.493 -14.367 -10.867 440 HB3 SER 60 HB3 SER 60 -2.231 -15.829 -10.186 441 HG SER 60 HG SER 60 -1.380 -15.794 -12.868 442 H ASP 61 H ASP 61 -5.121 -14.796 -9.918 443 HA ASP 61 HA ASP 61 -5.847 -17.532 -9.791 444 HB2 ASP 61 HB2 ASP 61 -6.266 -15.287 -8.220 445 HB3 ASP 61 HB3 ASP 61 -7.884 -15.674 -8.822 446 H LYS 62 H LYS 62 -8.516 -17.757 -9.764 447 HA LYS 62 HA LYS 62 -9.408 -16.927 -12.444 448 HB2 LYS 62 HB2 LYS 62 -10.608 -19.190 -12.511 449 HB3 LYS 62 HB3 LYS 62 -8.857 -19.185 -12.779 450 HG2 LYS 62 HG2 LYS 62 -9.455 -19.489 -9.971 451 HG3 LYS 62 HG3 LYS 62 -10.279 -20.723 -10.942 452 HD2 LYS 62 HD2 LYS 62 -8.265 -21.538 -11.844 453 HD3 LYS 62 HD3 LYS 62 -7.366 -20.097 -11.334 454 HE2 LYS 62 HE2 LYS 62 -6.797 -21.117 -9.437 455 HE3 LYS 62 HE3 LYS 62 -8.511 -21.243 -9.012 456 HZ1 LYS 62 HZ1 LYS 62 -8.178 -23.429 -9.123 457 HZ2 LYS 62 HZ2 LYS 62 -6.714 -23.273 -9.954 458 HZ3 LYS 62 HZ3 LYS 62 -8.176 -23.247 -10.805 459 H ARG 63 H ARG 63 -10.301 -17.939 -9.188 460 HA ARG 63 HA ARG 63 -13.082 -17.238 -9.591 461 HB2 ARG 63 HB2 ARG 63 -11.482 -18.590 -7.516 462 HB3 ARG 63 HB3 ARG 63 -12.824 -17.612 -6.902 463 HG2 ARG 63 HG2 ARG 63 -14.028 -19.478 -7.203 464 HG3 ARG 63 HG3 ARG 63 -14.061 -18.955 -8.895 465 HD2 ARG 63 HD2 ARG 63 -12.946 -20.776 -9.528 466 HD3 ARG 63 HD3 ARG 63 -11.628 -20.366 -8.421 467 HE ARG 63 HE ARG 63 -13.834 -21.580 -7.071 468 HH11 ARG 63 HH11 ARG 63 -11.000 -22.225 -8.987 469 HH12 ARG 63 HH12 ARG 63 -10.781 -23.825 -8.360 470 HH21 ARG 63 HH21 ARG 63 -13.556 -23.686 -6.240 471 HH22 ARG 63 HH22 ARG 63 -12.236 -24.656 -6.798 472 H PHE 64 H PHE 64 -10.197 -15.736 -8.483 473 HA PHE 64 HA PHE 64 -11.763 -13.446 -7.489 474 HB2 PHE 64 HB2 PHE 64 -9.274 -14.738 -6.495 475 HB3 PHE 64 HB3 PHE 64 -9.353 -12.977 -6.396 476 HD1 PHE 64 HD1 PHE 64 -11.945 -15.607 -5.879 477 HD2 PHE 64 HD2 PHE 64 -9.752 -12.357 -4.221 478 HE1 PHE 64 HE1 PHE 64 -13.281 -15.761 -3.819 479 HE2 PHE 64 HE2 PHE 64 -11.084 -12.506 -2.158 480 HZ PHE 64 HZ PHE 64 -12.851 -14.210 -1.954 481 H ALA 65 H ALA 65 -10.730 -14.186 -10.231 482 HA ALA 65 HA ALA 65 -8.989 -11.860 -10.702 483 HB1 ALA 65 HB1 ALA 65 -9.449 -13.948 -12.779 484 HB2 ALA 65 HB2 ALA 65 -8.029 -12.945 -12.483 485 HB3 ALA 65 HB3 ALA 65 -8.386 -14.305 -11.418 486 H ASP 66 H ASP 66 -11.110 -10.655 -10.431 487 HA ASP 66 HA ASP 66 -11.976 -9.703 -12.915 488 HB2 ASP 66 HB2 ASP 66 -13.481 -11.984 -11.844 489 HB3 ASP 66 HB3 ASP 66 -14.491 -10.580 -12.211 490 H CYS 67 H CYS 67 -13.156 -7.823 -12.718 491 HA CYS 67 HA CYS 67 -13.050 -6.487 -10.243 492 HB2 CYS 67 HB2 CYS 67 -14.124 -5.914 -12.950 493 HB3 CYS 67 HB3 CYS 67 -14.801 -4.966 -11.624 494 H SER 68 H SER 68 -15.467 -8.486 -11.702 495 HA SER 68 HA SER 68 -17.705 -7.564 -10.224 496 HB2 SER 68 HB2 SER 68 -17.115 -9.692 -12.117 497 HB3 SER 68 HB3 SER 68 -18.170 -10.258 -10.811 498 HG SER 68 HG SER 68 -19.017 -9.049 -12.853 499 H LYS 69 H LYS 69 -15.080 -9.705 -9.506 500 HA LYS 69 HA LYS 69 -16.273 -11.132 -7.371 501 HB2 LYS 69 HB2 LYS 69 -13.336 -10.490 -7.699 502 HB3 LYS 69 HB3 LYS 69 -14.049 -11.851 -6.817 503 HG2 LYS 69 HG2 LYS 69 -14.146 -11.425 -9.807 504 HG3 LYS 69 HG3 LYS 69 -13.117 -12.578 -8.938 505 HD2 LYS 69 HD2 LYS 69 -14.800 -14.015 -9.427 506 HD3 LYS 69 HD3 LYS 69 -15.509 -13.309 -7.964 507 HE2 LYS 69 HE2 LYS 69 -17.051 -12.068 -9.125 508 HE3 LYS 69 HE3 LYS 69 -16.011 -11.933 -10.550 509 HZ1 LYS 69 HZ1 LYS 69 -17.456 -13.432 -11.366 510 HZ2 LYS 69 HZ2 LYS 69 -17.919 -14.006 -9.844 511 HZ3 LYS 69 HZ3 LYS 69 -16.478 -14.546 -10.549 512 H SER 70 H SER 70 -15.190 -10.963 -5.096 513 HA SER 70 HA SER 70 -15.610 -8.208 -4.209 514 HB2 SER 70 HB2 SER 70 -15.820 -10.901 -2.922 515 HB3 SER 70 HB3 SER 70 -15.463 -9.502 -1.894 516 HG SER 70 HG SER 70 -17.663 -9.663 -1.986 517 H GLN 71 H GLN 71 -14.263 -7.767 -2.068 518 HA GLN 71 HA GLN 71 -11.536 -7.612 -2.920 519 HB2 GLN 71 HB2 GLN 71 -12.752 -5.839 -1.614 520 HB3 GLN 71 HB3 GLN 71 -12.658 -6.909 -0.207 521 HG2 GLN 71 HG2 GLN 71 -10.345 -6.708 -0.034 522 HG3 GLN 71 HG3 GLN 71 -10.188 -6.116 -1.693 523 HE21 GLN 71 HE21 GLN 71 -8.936 -4.765 0.262 524 HE22 GLN 71 HE22 GLN 71 -9.719 -3.253 0.560 525 H GLU 72 H GLU 72 -9.702 -8.299 -1.579 526 HA GLU 72 HA GLU 72 -9.999 -11.057 -0.818 527 HB2 GLU 72 HB2 GLU 72 -7.704 -9.152 -1.103 528 HB3 GLU 72 HB3 GLU 72 -7.476 -10.663 -0.208 529 HG2 GLU 72 HG2 GLU 72 -8.702 -10.765 -2.926 530 HG3 GLU 72 HG3 GLU 72 -6.956 -10.521 -2.767 531 H MET 73 H MET 73 -9.210 -8.021 0.829 532 HA MET 73 HA MET 73 -10.070 -9.221 3.348 533 HB2 MET 73 HB2 MET 73 -7.357 -8.025 2.818 534 HB3 MET 73 HB3 MET 73 -8.055 -8.036 4.446 535 HG2 MET 73 HG2 MET 73 -8.391 -10.601 3.939 536 HG3 MET 73 HG3 MET 73 -7.090 -10.303 2.784 537 HE1 MET 73 HE1 MET 73 -5.471 -8.321 3.667 538 HE2 MET 73 HE2 MET 73 -5.591 -7.836 5.358 539 HE3 MET 73 HE3 MET 73 -4.276 -8.890 4.833 540 H SER 74 H SER 74 -10.220 -7.504 5.096 541 HA SER 74 HA SER 74 -11.653 -5.252 3.996 542 HB2 SER 74 HB2 SER 74 -12.469 -6.544 5.980 543 HB3 SER 74 HB3 SER 74 -11.099 -5.899 6.900 544 HG SER 74 HG SER 74 -13.427 -4.764 6.568 545 H ASN 75 H ASN 75 -11.288 -3.039 4.807 546 HA ASN 75 HA ASN 75 -8.722 -2.125 4.254 547 HB2 ASN 75 HB2 ASN 75 -11.238 -0.988 4.945 548 HB3 ASN 75 HB3 ASN 75 -10.016 -0.260 5.996 549 HD21 ASN 75 HD21 ASN 75 -9.903 -1.369 2.631 550 HD22 ASN 75 HD22 ASN 75 -9.376 0.139 1.973 551 H GLU 76 H GLU 76 -10.241 -2.888 7.346 552 HA GLU 76 HA GLU 76 -8.252 -1.866 9.035 553 HB2 GLU 76 HB2 GLU 76 -9.140 -3.498 10.713 554 HB3 GLU 76 HB3 GLU 76 -10.375 -2.479 9.956 555 HG2 GLU 76 HG2 GLU 76 -10.442 -4.594 8.289 556 HG3 GLU 76 HG3 GLU 76 -9.966 -5.388 9.797 557 H GLU 77 H GLU 77 -8.673 -5.131 7.693 558 HA GLU 77 HA GLU 77 -6.400 -6.266 8.902 559 HB2 GLU 77 HB2 GLU 77 -7.849 -7.001 6.350 560 HB3 GLU 77 HB3 GLU 77 -6.598 -7.998 7.108 561 HG2 GLU 77 HG2 GLU 77 -8.258 -7.650 9.208 562 HG3 GLU 77 HG3 GLU 77 -9.409 -7.594 7.865 563 H ILE 78 H ILE 78 -6.853 -4.585 5.834 564 HA ILE 78 HA ILE 78 -4.248 -5.087 4.825 565 HB ILE 78 HB ILE 78 -6.148 -2.844 4.132 566 HG12 ILE 78 HG12 ILE 78 -5.678 -5.360 2.545 567 HG13 ILE 78 HG13 ILE 78 -6.886 -5.307 3.839 568 HG21 ILE 78 HG21 ILE 78 -3.712 -3.902 2.708 569 HG22 ILE 78 HG22 ILE 78 -4.869 -2.772 2.007 570 HG23 ILE 78 HG23 ILE 78 -3.920 -2.299 3.416 571 HD11 ILE 78 HD11 ILE 78 -7.227 -4.551 1.175 572 HD12 ILE 78 HD12 ILE 78 -8.361 -4.340 2.509 573 HD13 ILE 78 HD13 ILE 78 -7.225 -3.053 2.104 574 H ASN 79 H ASN 79 -5.687 -2.361 6.580 575 HA ASN 79 HA ASN 79 -3.446 -0.673 6.519 576 HB2 ASN 79 HB2 ASN 79 -4.962 0.682 7.440 577 HB3 ASN 79 HB3 ASN 79 -6.029 -0.693 7.754 578 HD21 ASN 79 HD21 ASN 79 -6.091 -1.620 9.768 579 HD22 ASN 79 HD22 ASN 79 -5.346 -0.905 11.154 580 H GLU 80 H GLU 80 -4.460 -3.120 8.874 581 HA GLU 80 HA GLU 80 -2.233 -2.652 10.614 582 HB2 GLU 80 HB2 GLU 80 -3.145 -4.239 12.006 583 HB3 GLU 80 HB3 GLU 80 -4.582 -3.711 11.116 584 HG2 GLU 80 HG2 GLU 80 -4.853 -5.970 10.995 585 HG3 GLU 80 HG3 GLU 80 -3.932 -5.678 9.513 586 H GLU 81 H GLU 81 -2.870 -4.688 7.871 587 HA GLU 81 HA GLU 81 -0.817 -6.588 8.283 588 HB2 GLU 81 HB2 GLU 81 -2.599 -7.071 6.741 589 HB3 GLU 81 HB3 GLU 81 -2.193 -5.652 5.764 590 HG2 GLU 81 HG2 GLU 81 -0.456 -6.668 4.726 591 HG3 GLU 81 HG3 GLU 81 -0.050 -7.647 6.142 592 H LEU 82 H LEU 82 -0.934 -3.694 6.207 593 HA LEU 82 HA LEU 82 1.880 -3.867 5.622 594 HB2 LEU 82 HB2 LEU 82 -0.111 -1.662 5.054 595 HB3 LEU 82 HB3 LEU 82 1.528 -1.781 4.390 596 HG LEU 82 HG LEU 82 0.166 -4.184 3.742 597 HD11 LEU 82 HD11 LEU 82 -1.561 -1.839 3.778 598 HD12 LEU 82 HD12 LEU 82 -1.967 -3.546 3.609 599 HD13 LEU 82 HD13 LEU 82 -1.470 -2.616 2.197 600 HD21 LEU 82 HD21 LEU 82 0.346 -2.820 1.418 601 HD22 LEU 82 HD22 LEU 82 1.694 -3.670 2.172 602 HD23 LEU 82 HD23 LEU 82 1.506 -1.932 2.405 603 H GLY 83 H GLY 83 -0.161 -2.171 7.882 604 HA2 GLY 83 HA2 GLY 83 0.588 -1.237 9.904 605 HA3 GLY 83 HA3 GLY 83 2.222 -1.206 9.260 606 H ILE 84 H ILE 84 -0.511 0.054 7.485 607 HA ILE 84 HA ILE 84 0.675 2.730 7.686 608 HB ILE 84 HB ILE 84 -0.601 3.295 5.687 609 HG12 ILE 84 HG12 ILE 84 -1.566 0.426 5.813 610 HG13 ILE 84 HG13 ILE 84 -2.558 1.865 6.105 611 HG21 ILE 84 HG21 ILE 84 0.453 0.892 4.558 612 HG22 ILE 84 HG22 ILE 84 1.112 2.526 4.507 613 HG23 ILE 84 HG23 ILE 84 1.522 1.453 5.843 614 HD11 ILE 84 HD11 ILE 84 -2.959 0.995 3.883 615 HD12 ILE 84 HD12 ILE 84 -2.200 2.585 3.797 616 HD13 ILE 84 HD13 ILE 84 -1.243 1.134 3.499 617 H GLY 85 H GLY 85 -1.304 4.407 7.111 618 HA2 GLY 85 HA2 GLY 85 -3.289 3.942 9.252 619 HA3 GLY 85 HA3 GLY 85 -2.580 5.515 8.919 620 H GLN 86 H GLN 86 -4.206 2.957 7.033 621 HA GLN 86 HA GLN 86 -5.263 4.563 5.055 622 HB2 GLN 86 HB2 GLN 86 -5.845 1.899 6.158 623 HB3 GLN 86 HB3 GLN 86 -7.222 2.674 5.357 624 HG2 GLN 86 HG2 GLN 86 -6.056 2.857 3.300 625 HG3 GLN 86 HG3 GLN 86 -4.525 2.410 4.063 626 HE21 GLN 86 HE21 GLN 86 -4.365 0.780 2.428 627 HE22 GLN 86 HE22 GLN 86 -5.208 -0.716 2.611 628 H ASP 87 H ASP 87 -7.473 5.290 4.695 629 HA ASP 87 HA ASP 87 -8.471 6.721 6.991 630 HB2 ASP 87 HB2 ASP 87 -9.202 6.649 4.067 631 HB3 ASP 87 HB3 ASP 87 -10.210 7.500 5.245 632 H GLU 88 H GLU 88 -9.198 5.008 8.326 633 HA GLU 88 HA GLU 88 -11.332 3.297 7.363 634 HB2 GLU 88 HB2 GLU 88 -9.722 2.280 8.824 635 HB3 GLU 88 HB3 GLU 88 -9.964 3.540 10.044 636 HG2 GLU 88 HG2 GLU 88 -11.059 1.486 10.714 637 HG3 GLU 88 HG3 GLU 88 -12.246 2.764 10.412 638 H ALA 89 H ALA 89 -10.912 6.019 9.564 639 HA ALA 89 HA ALA 89 -12.392 7.466 10.509 640 HB1 ALA 89 HB1 ALA 89 -13.217 7.256 7.994 641 HB2 ALA 89 HB2 ALA 89 -14.635 6.570 8.788 642 HB3 ALA 89 HB3 ALA 89 -14.097 8.200 9.196 643 H ASP 90 H ASP 90 -14.526 7.590 11.693 644 HA ASP 90 HA ASP 90 -15.173 4.950 12.833 645 HB2 ASP 90 HB2 ASP 90 -14.367 7.436 14.081 646 HB3 ASP 90 HB3 ASP 90 -15.949 6.917 14.678 647 H ALA 91 H ALA 91 -16.396 7.919 11.517 648 HA ALA 91 HA ALA 91 -18.467 8.548 10.810 649 HB1 ALA 91 HB1 ALA 91 -20.041 6.867 10.178 650 HB2 ALA 91 HB2 ALA 91 -18.427 6.262 9.807 651 HB3 ALA 91 HB3 ALA 91 -19.280 5.679 11.235 652 H TYR 92 H TYR 92 -17.707 8.149 13.782 653 HA TYR 92 HA TYR 92 -20.021 7.599 15.255 654 HB2 TYR 92 HB2 TYR 92 -18.918 8.561 17.126 655 HB3 TYR 92 HB3 TYR 92 -17.659 7.815 16.139 656 HD1 TYR 92 HD2 TYR 92 -19.057 11.000 17.289 657 HD2 TYR 92 HD1 TYR 92 -16.018 9.151 14.954 658 HE1 TYR 92 HE2 TYR 92 -17.832 13.130 17.208 659 HE2 TYR 92 HE1 TYR 92 -14.784 11.277 14.867 660 HH TYR 92 HH TYR 92 -14.672 13.373 15.616 661 H ASP 93 H ASP 93 -21.061 9.343 16.706 662 HA ASP 93 HA ASP 93 -21.320 11.996 15.843 663 HB2 ASP 93 HB2 ASP 93 -22.530 10.342 14.034 664 HB3 ASP 93 HB3 ASP 93 -23.872 10.715 15.123 665 H CYS 94 H CYS 94 -23.287 13.069 16.824 666 HA CYS 94 HA CYS 94 -23.638 12.013 19.503 667 HB2 CYS 94 HB2 CYS 94 -24.280 14.627 18.156 668 HB3 CYS 94 HB3 CYS 94 -24.956 14.239 19.740 669 H ASP 95 H ASP 95 -24.868 10.216 18.130 670 HA ASP 95 HA ASP 95 -27.709 10.756 18.574 671 HB2 ASP 95 HB2 ASP 95 -26.982 11.029 16.092 672 HB3 ASP 95 HB3 ASP 95 -26.873 9.263 16.105 673 H ALA 96 H ALA 96 -25.573 9.218 19.934 674 HA ALA 96 HA ALA 96 -25.751 6.479 19.524 675 HB1 ALA 96 HB1 ALA 96 -24.146 7.642 21.039 676 HB2 ALA 96 HB2 ALA 96 -25.455 7.813 22.209 677 HB3 ALA 96 HB3 ALA 96 -24.895 6.207 21.740 678 H ALA 97 H ALA 97 -28.021 8.664 20.973 679 HA ALA 97 HA ALA 97 -29.541 6.791 22.447 680 HB1 ALA 97 HB1 ALA 97 -30.149 9.511 21.335 681 HB2 ALA 97 HB2 ALA 97 -31.367 8.563 22.189 682 HB3 ALA 97 HB3 ALA 97 -29.880 9.035 23.012 683 H LYS 98 H LYS 98 -29.450 7.651 19.079 684 HA LYS 98 HA LYS 98 -30.481 6.790 17.243 685 HB2 LYS 98 HB2 LYS 98 -30.077 4.648 18.943 686 HB3 LYS 98 HB3 LYS 98 -31.800 4.531 18.547 687 HG2 LYS 98 HG2 LYS 98 -30.697 3.210 16.947 688 HG3 LYS 98 HG3 LYS 98 -31.119 4.718 16.116 689 HD2 LYS 98 HD2 LYS 98 -28.882 4.194 15.492 690 HD3 LYS 98 HD3 LYS 98 -28.799 5.540 16.641 691 HE2 LYS 98 HE2 LYS 98 -27.846 4.276 18.292 692 HE3 LYS 98 HE3 LYS 98 -28.651 2.794 17.753 693 HZ1 LYS 98 HZ1 LYS 98 -26.394 2.512 17.250 694 HZ2 LYS 98 HZ2 LYS 98 -26.239 4.069 16.606 695 HZ3 LYS 98 HZ3 LYS 98 -27.117 2.891 15.768 696 H ARG 99 H ARG 99 -32.030 8.275 16.793 697 HA ARG 99 HA ARG 99 -34.751 7.547 17.194 698 HB2 ARG 99 HB2 ARG 99 -35.087 9.983 18.310 699 HB3 ARG 99 HB3 ARG 99 -34.954 8.486 19.244 700 HG2 ARG 99 HG2 ARG 99 -32.825 8.942 19.968 701 HG3 ARG 99 HG3 ARG 99 -32.467 9.975 18.574 702 HD2 ARG 99 HD2 ARG 99 -34.647 11.126 20.029 703 HD3 ARG 99 HD3 ARG 99 -33.334 10.749 21.154 704 HE ARG 99 HE ARG 99 -32.172 12.003 18.975 705 HH11 ARG 99 HH11 ARG 99 -34.504 12.764 21.444 706 HH12 ARG 99 HH12 ARG 99 -34.132 14.455 21.459 707 HH21 ARG 99 HH21 ARG 99 -31.672 14.230 18.985 708 HH22 ARG 99 HH22 ARG 99 -32.522 15.288 20.059 709 H GLY 100 H GLY 100 -33.246 10.767 16.996 710 HA2 GLY 100 HA2 GLY 100 -32.860 11.901 14.904 711 HA3 GLY 100 HA3 GLY 100 -34.141 10.933 14.193 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -19.968 29.469 44.044 2 HA2 GLY 1 HA2 GLY 1 -17.108 29.020 44.639 3 HA3 GLY 1 HA3 GLY 1 -18.090 27.902 43.705 4 H SER 2 H SER 2 -15.772 28.710 42.615 5 HA SER 2 HA SER 2 -16.689 30.199 40.298 6 HB2 SER 2 HB2 SER 2 -14.738 31.260 42.277 7 HB3 SER 2 HB3 SER 2 -14.324 31.466 40.567 8 HG SER 2 HG SER 2 -15.978 32.930 41.974 9 H ARG 3 H ARG 3 -16.365 28.449 38.996 10 HA ARG 3 HA ARG 3 -14.289 26.625 39.068 11 HB2 ARG 3 HB2 ARG 3 -14.853 26.053 36.792 12 HB3 ARG 3 HB3 ARG 3 -16.339 26.405 37.688 13 HG2 ARG 3 HG2 ARG 3 -15.678 28.856 36.619 14 HG3 ARG 3 HG3 ARG 3 -15.223 27.712 35.346 15 HD2 ARG 3 HD2 ARG 3 -17.372 27.659 34.742 16 HD3 ARG 3 HD3 ARG 3 -17.682 26.791 36.253 17 HE ARG 3 HE ARG 3 -17.641 29.636 36.594 18 HH11 ARG 3 HH11 ARG 3 -19.600 26.915 35.653 19 HH12 ARG 3 HH12 ARG 3 -21.098 27.695 36.040 20 HH21 ARG 3 HH21 ARG 3 -19.607 30.673 37.106 21 HH22 ARG 3 HH22 ARG 3 -21.101 29.833 36.865 22 H ARG 4 H ARG 4 -12.405 26.374 37.733 23 HA ARG 4 HA ARG 4 -11.347 28.716 36.393 24 HB2 ARG 4 HB2 ARG 4 -10.478 27.858 39.078 25 HB3 ARG 4 HB3 ARG 4 -9.166 28.122 37.919 26 HG2 ARG 4 HG2 ARG 4 -9.408 30.350 37.940 27 HG3 ARG 4 HG3 ARG 4 -11.177 30.246 37.949 28 HD2 ARG 4 HD2 ARG 4 -11.299 30.476 40.176 29 HD3 ARG 4 HD3 ARG 4 -9.990 29.314 40.436 30 HE ARG 4 HE ARG 4 -8.937 31.752 39.471 31 HH11 ARG 4 HH11 ARG 4 -10.333 30.318 42.320 32 HH12 ARG 4 HH12 ARG 4 -9.505 31.373 43.417 33 HH21 ARG 4 HH21 ARG 4 -7.841 33.148 40.905 34 HH22 ARG 4 HH22 ARG 4 -8.089 32.983 42.610 35 H ALA 5 H ALA 5 -9.643 28.252 34.986 36 HA ALA 5 HA ALA 5 -8.236 25.817 34.902 37 HB1 ALA 5 HB1 ALA 5 -9.527 24.410 33.766 38 HB2 ALA 5 HB2 ALA 5 -10.858 25.545 33.997 39 HB3 ALA 5 HB3 ALA 5 -9.871 25.625 32.536 40 H SER 6 H SER 6 -7.406 25.474 32.473 41 HA SER 6 HA SER 6 -7.204 27.742 30.805 42 HB2 SER 6 HB2 SER 6 -5.849 28.467 32.850 43 HB3 SER 6 HB3 SER 6 -4.678 27.225 32.375 44 HG SER 6 HG SER 6 -4.411 29.492 31.545 45 H VAL 7 H VAL 7 -4.887 27.428 29.515 46 HA VAL 7 HA VAL 7 -4.061 26.175 27.781 47 HB VAL 7 HB VAL 7 -2.794 24.254 28.453 48 HG11 VAL 7 HG11 VAL 7 -1.854 26.333 29.180 49 HG12 VAL 7 HG12 VAL 7 -2.889 26.359 30.609 50 HG13 VAL 7 HG13 VAL 7 -1.616 25.147 30.462 51 HG21 VAL 7 HG21 VAL 7 -4.707 23.237 29.760 52 HG22 VAL 7 HG22 VAL 7 -3.102 23.051 30.468 53 HG23 VAL 7 HG23 VAL 7 -4.213 24.263 31.107 54 H GLY 8 H GLY 8 -4.006 23.439 27.296 55 HA2 GLY 8 HA2 GLY 8 -6.619 22.285 27.471 56 HA3 GLY 8 HA3 GLY 8 -6.316 22.973 25.883 57 H SER 9 H SER 9 -4.950 21.945 24.474 58 HA SER 9 HA SER 9 -3.396 19.663 25.367 59 HB2 SER 9 HB2 SER 9 -5.018 18.911 23.048 60 HB3 SER 9 HB3 SER 9 -4.682 18.010 24.536 61 HG SER 9 HG SER 9 -6.837 19.603 23.893 62 H GLU 10 H GLU 10 -2.497 18.547 23.207 63 HA GLU 10 HA GLU 10 -1.823 20.618 21.249 64 HB2 GLU 10 HB2 GLU 10 0.077 19.129 23.023 65 HB3 GLU 10 HB3 GLU 10 0.587 19.581 21.390 66 HG2 GLU 10 HG2 GLU 10 -0.204 21.956 22.038 67 HG3 GLU 10 HG3 GLU 10 -0.110 21.347 23.697 68 H PHE 11 H PHE 11 -0.316 19.496 19.501 69 HA PHE 11 HA PHE 11 -0.667 16.740 18.997 70 HB2 PHE 11 HB2 PHE 11 -2.848 18.490 18.206 71 HB3 PHE 11 HB3 PHE 11 -2.144 17.668 16.812 72 HD1 PHE 11 HD1 PHE 11 -1.457 15.060 17.627 73 HD2 PHE 11 HD2 PHE 11 -4.770 17.419 18.879 74 HE1 PHE 11 HE1 PHE 11 -2.706 13.011 18.170 75 HE2 PHE 11 HE2 PHE 11 -6.024 15.375 19.426 76 HZ PHE 11 HZ PHE 11 -4.993 13.166 19.072 77 H MET 12 H MET 12 -0.083 16.201 16.663 78 HA MET 12 HA MET 12 1.237 18.161 15.082 79 HB2 MET 12 HB2 MET 12 3.515 17.587 15.401 80 HB3 MET 12 HB3 MET 12 2.840 17.841 17.017 81 HG2 MET 12 HG2 MET 12 2.430 15.181 16.737 82 HG3 MET 12 HG3 MET 12 3.892 15.397 15.773 83 HE1 MET 12 HE1 MET 12 2.733 14.376 19.102 84 HE2 MET 12 HE2 MET 12 3.511 15.428 20.284 85 HE3 MET 12 HE3 MET 12 2.230 16.061 19.249 86 H VAL 13 H VAL 13 2.547 17.069 13.294 87 HA VAL 13 HA VAL 13 0.919 15.099 12.069 88 HB VAL 13 HB VAL 13 2.602 15.057 10.287 89 HG11 VAL 13 HG11 VAL 13 2.440 17.389 9.619 90 HG12 VAL 13 HG12 VAL 13 0.926 16.851 10.347 91 HG13 VAL 13 HG13 VAL 13 2.043 17.853 11.273 92 HG21 VAL 13 HG21 VAL 13 4.562 16.631 10.512 93 HG22 VAL 13 HG22 VAL 13 4.215 16.685 12.240 94 HG23 VAL 13 HG23 VAL 13 4.651 15.157 11.475 95 H VAL 14 H VAL 14 2.223 13.171 10.953 96 HA VAL 14 HA VAL 14 3.948 11.839 12.901 97 HB VAL 14 HB VAL 14 2.646 9.740 12.731 98 HG11 VAL 14 HG11 VAL 14 2.307 10.984 14.707 99 HG12 VAL 14 HG12 VAL 14 1.303 12.175 13.878 100 HG13 VAL 14 HG13 VAL 14 0.697 10.540 14.143 101 HG21 VAL 14 HG21 VAL 14 0.112 10.758 11.991 102 HG22 VAL 14 HG22 VAL 14 1.253 11.210 10.725 103 HG23 VAL 14 HG23 VAL 14 1.070 9.516 11.183 104 H ASP 15 H ASP 15 5.505 10.627 11.983 105 HA ASP 15 HA ASP 15 6.828 9.681 10.392 106 HB2 ASP 15 HB2 ASP 15 4.554 8.396 10.103 107 HB3 ASP 15 HB3 ASP 15 4.472 9.297 8.583 108 H VAL 16 H VAL 16 7.626 9.941 8.129 109 HA VAL 16 HA VAL 16 6.715 12.301 6.711 110 HB VAL 16 HB VAL 16 8.348 13.084 8.497 111 HG11 VAL 16 HG11 VAL 16 9.863 10.974 7.622 112 HG12 VAL 16 HG12 VAL 16 10.646 12.354 6.850 113 HG13 VAL 16 HG13 VAL 16 10.448 12.319 8.602 114 HG21 VAL 16 HG21 VAL 16 8.865 14.831 7.173 115 HG22 VAL 16 HG22 VAL 16 9.595 13.811 5.933 116 HG23 VAL 16 HG23 VAL 16 7.843 14.002 5.999 117 H THR 17 H THR 17 7.121 9.351 6.318 118 HA THR 17 HA THR 17 8.390 9.563 3.708 119 HB THR 17 HB THR 17 10.194 8.870 5.318 120 HG1 THR 17 HG1 THR 17 10.971 7.331 3.887 121 HG21 THR 17 HG21 THR 17 8.776 6.221 5.426 122 HG22 THR 17 HG22 THR 17 8.569 7.442 6.682 123 HG23 THR 17 HG23 THR 17 10.166 6.764 6.365 124 H ILE 18 H ILE 18 8.330 7.155 2.727 125 HA ILE 18 HA ILE 18 5.579 6.202 3.177 126 HB ILE 18 HB ILE 18 7.151 5.799 0.642 127 HG12 ILE 18 HG12 ILE 18 6.988 8.199 1.013 128 HG13 ILE 18 HG13 ILE 18 5.899 7.710 -0.296 129 HG21 ILE 18 HG21 ILE 18 5.400 4.339 0.522 130 HG22 ILE 18 HG22 ILE 18 4.358 5.332 1.540 131 HG23 ILE 18 HG23 ILE 18 4.630 5.779 -0.144 132 HD11 ILE 18 HD11 ILE 18 4.023 7.718 1.322 133 HD12 ILE 18 HD12 ILE 18 5.128 8.372 2.531 134 HD13 ILE 18 HD13 ILE 18 4.764 9.298 1.075 135 H GLU 19 H GLU 19 5.174 3.927 2.924 136 HA GLU 19 HA GLU 19 7.172 1.987 2.586 137 HB2 GLU 19 HB2 GLU 19 7.249 1.163 4.979 138 HB3 GLU 19 HB3 GLU 19 8.147 2.651 4.643 139 HG2 GLU 19 HG2 GLU 19 6.952 3.832 6.095 140 HG3 GLU 19 HG3 GLU 19 5.426 3.202 5.457 141 H ASP 20 H ASP 20 5.428 1.195 1.335 142 HA ASP 20 HA ASP 20 3.266 -0.037 2.915 143 HB2 ASP 20 HB2 ASP 20 1.924 -0.004 0.817 144 HB3 ASP 20 HB3 ASP 20 2.355 1.609 1.399 145 H SER 21 H SER 21 4.989 -1.723 3.230 146 HA SER 21 HA SER 21 4.425 -3.992 1.695 147 HB2 SER 21 HB2 SER 21 7.052 -4.055 0.942 148 HB3 SER 21 HB3 SER 21 5.715 -3.575 -0.119 149 HG SER 21 HG SER 21 7.418 -1.879 1.384 150 H TYR 22 H TYR 22 4.200 -4.581 3.937 151 HA TYR 22 HA TYR 22 6.621 -4.797 5.526 152 HB2 TYR 22 HB2 TYR 22 3.867 -4.562 6.092 153 HB3 TYR 22 HB3 TYR 22 4.351 -6.155 6.673 154 HD1 TYR 22 HD1 TYR 22 5.621 -2.637 6.766 155 HD2 TYR 22 HD2 TYR 22 5.136 -6.325 8.833 156 HE1 TYR 22 HE1 TYR 22 6.595 -1.627 8.786 157 HE2 TYR 22 HE2 TYR 22 6.107 -5.324 10.859 158 HH TYR 22 HH TYR 22 7.707 -3.376 11.364 159 H SER 23 H SER 23 4.366 -6.884 3.807 160 HA SER 23 HA SER 23 5.165 -9.371 4.717 161 HB2 SER 23 HB2 SER 23 3.750 -8.313 2.397 162 HB3 SER 23 HB3 SER 23 4.700 -9.755 1.996 163 HG SER 23 HG SER 23 3.659 -10.827 3.741 164 H THR 24 H THR 24 6.404 -11.023 3.402 165 HA THR 24 HA THR 24 8.967 -9.833 2.589 166 HB THR 24 HB THR 24 8.613 -12.741 3.252 167 HG1 THR 24 HG1 THR 24 8.398 -12.281 5.304 168 HG21 THR 24 HG21 THR 24 10.896 -10.780 3.262 169 HG22 THR 24 HG22 THR 24 10.731 -12.267 2.327 170 HG23 THR 24 HG23 THR 24 10.995 -12.345 4.070 171 H GLU 25 H GLU 25 6.472 -12.124 1.638 172 HA GLU 25 HA GLU 25 7.759 -12.342 -1.004 173 HB2 GLU 25 HB2 GLU 25 5.943 -14.299 0.422 174 HB3 GLU 25 HB3 GLU 25 6.497 -14.479 -1.250 175 HG2 GLU 25 HG2 GLU 25 8.824 -14.066 0.240 176 HG3 GLU 25 HG3 GLU 25 7.828 -15.165 1.206 177 H SER 26 H SER 26 4.481 -12.939 0.251 178 HA SER 26 HA SER 26 3.117 -12.206 -2.045 179 HB2 SER 26 HB2 SER 26 2.100 -11.827 0.787 180 HB3 SER 26 HB3 SER 26 1.130 -12.072 -0.677 181 HG SER 26 HG SER 26 1.686 -14.161 -0.733 182 H ALA 27 H ALA 27 2.357 -10.334 -2.894 183 HA ALA 27 HA ALA 27 3.070 -7.844 -1.483 184 HB1 ALA 27 HB1 ALA 27 3.783 -8.758 -4.114 185 HB2 ALA 27 HB2 ALA 27 2.868 -7.253 -4.210 186 HB3 ALA 27 HB3 ALA 27 4.335 -7.332 -3.234 187 H TRP 28 H TRP 28 1.740 -5.953 -2.110 188 HA TRP 28 HA TRP 28 -1.064 -6.772 -2.429 189 HB2 TRP 28 HB2 TRP 28 0.289 -4.510 -1.001 190 HB3 TRP 28 HB3 TRP 28 -1.370 -4.299 -1.560 191 HD1 TRP 28 HD1 TRP 28 0.409 -5.388 1.408 192 HE1 TRP 28 HE1 TRP 28 -1.100 -6.781 2.958 193 HE3 TRP 28 HE3 TRP 28 -3.404 -6.381 -1.848 194 HZ2 TRP 28 HZ2 TRP 28 -3.578 -8.124 2.820 195 HZ3 TRP 28 HZ3 TRP 28 -5.308 -7.727 -1.061 196 HH2 TRP 28 HH2 TRP 28 -5.391 -8.580 1.225 197 H VAL 29 H VAL 29 -2.287 -6.042 -4.078 198 HA VAL 29 HA VAL 29 -1.146 -3.977 -5.839 199 HB VAL 29 HB VAL 29 -2.207 -5.251 -7.763 200 HG11 VAL 29 HG11 VAL 29 0.056 -6.689 -6.391 201 HG12 VAL 29 HG12 VAL 29 -0.268 -6.589 -8.123 202 HG13 VAL 29 HG13 VAL 29 0.242 -5.153 -7.235 203 HG21 VAL 29 HG21 VAL 29 -2.042 -7.616 -5.916 204 HG22 VAL 29 HG22 VAL 29 -3.541 -6.723 -6.170 205 HG23 VAL 29 HG23 VAL 29 -2.754 -7.528 -7.527 206 H ARG 30 H ARG 30 -2.525 -2.427 -6.492 207 HA ARG 30 HA ARG 30 -5.321 -2.670 -5.624 208 HB2 ARG 30 HB2 ARG 30 -4.014 -0.801 -4.673 209 HB3 ARG 30 HB3 ARG 30 -3.742 -0.185 -6.310 210 HG2 ARG 30 HG2 ARG 30 -6.513 -0.495 -6.109 211 HG3 ARG 30 HG3 ARG 30 -5.995 0.200 -4.564 212 HD2 ARG 30 HD2 ARG 30 -6.515 1.984 -6.122 213 HD3 ARG 30 HD3 ARG 30 -4.780 1.962 -5.782 214 HE ARG 30 HE ARG 30 -5.519 0.472 -8.130 215 HH11 ARG 30 HH11 ARG 30 -4.658 3.599 -6.864 216 HH12 ARG 30 HH12 ARG 30 -4.096 4.205 -8.387 217 HH21 ARG 30 HH21 ARG 30 -4.782 1.258 -10.140 218 HH22 ARG 30 HH22 ARG 30 -4.168 2.873 -10.250 219 H CYS 31 H CYS 31 -6.999 -2.392 -7.024 220 HA CYS 31 HA CYS 31 -6.436 -2.737 -9.818 221 HB2 CYS 31 HB2 CYS 31 -8.312 -3.893 -8.710 222 HB3 CYS 31 HB3 CYS 31 -9.080 -2.335 -8.401 223 H ASP 32 H ASP 32 -6.786 -1.323 -11.489 224 HA ASP 32 HA ASP 32 -7.035 1.494 -10.719 225 HB2 ASP 32 HB2 ASP 32 -5.119 0.450 -12.195 226 HB3 ASP 32 HB3 ASP 32 -6.317 0.608 -13.487 227 H ASP 33 H ASP 33 -9.373 -0.127 -10.753 228 HA ASP 33 HA ASP 33 -10.925 1.371 -12.719 229 HB2 ASP 33 HB2 ASP 33 -10.273 -0.982 -13.586 230 HB3 ASP 33 HB3 ASP 33 -11.446 -1.573 -12.402 231 H CYS 34 H CYS 34 -10.980 -0.910 -10.006 232 HA CYS 34 HA CYS 34 -13.441 0.404 -9.055 233 HB2 CYS 34 HB2 CYS 34 -14.001 -1.661 -7.893 234 HB3 CYS 34 HB3 CYS 34 -13.769 -1.970 -9.614 235 H PHE 35 H PHE 35 -10.160 -0.135 -8.455 236 HA PHE 35 HA PHE 35 -8.770 0.457 -6.755 237 HB2 PHE 35 HB2 PHE 35 -11.144 1.859 -5.512 238 HB3 PHE 35 HB3 PHE 35 -9.434 2.217 -5.267 239 HD1 PHE 35 HD2 PHE 35 -8.080 3.039 -7.270 240 HD2 PHE 35 HD1 PHE 35 -12.334 2.980 -7.178 241 HE1 PHE 35 HE2 PHE 35 -8.139 4.693 -9.091 242 HE2 PHE 35 HE1 PHE 35 -12.400 4.633 -8.999 243 HZ PHE 35 HZ PHE 35 -10.300 5.492 -9.957 244 H LYS 36 H LYS 36 -8.913 -1.884 -6.278 245 HA LYS 36 HA LYS 36 -9.846 -2.272 -3.526 246 HB2 LYS 36 HB2 LYS 36 -11.186 -3.352 -5.689 247 HB3 LYS 36 HB3 LYS 36 -10.126 -4.672 -5.173 248 HG2 LYS 36 HG2 LYS 36 -12.135 -5.008 -4.011 249 HG3 LYS 36 HG3 LYS 36 -11.021 -4.293 -2.833 250 HD2 LYS 36 HD2 LYS 36 -12.016 -2.071 -3.256 251 HD3 LYS 36 HD3 LYS 36 -13.163 -2.829 -4.376 252 HE2 LYS 36 HE2 LYS 36 -13.600 -4.384 -2.239 253 HE3 LYS 36 HE3 LYS 36 -13.060 -2.914 -1.414 254 HZ1 LYS 36 HZ1 LYS 36 -15.125 -2.177 -1.652 255 HZ2 LYS 36 HZ2 LYS 36 -15.549 -3.447 -2.686 256 HZ3 LYS 36 HZ3 LYS 36 -14.839 -2.046 -3.314 257 H TRP 37 H TRP 37 -8.462 -3.384 -2.255 258 HA TRP 37 HA TRP 37 -5.825 -3.881 -3.219 259 HB2 TRP 37 HB2 TRP 37 -7.236 -4.138 -0.595 260 HB3 TRP 37 HB3 TRP 37 -5.713 -4.999 -0.809 261 HD1 TRP 37 HD1 TRP 37 -6.712 -1.993 0.717 262 HE1 TRP 37 HE1 TRP 37 -4.911 -0.156 0.629 263 HE3 TRP 37 HE3 TRP 37 -3.752 -3.935 -2.971 264 HZ2 TRP 37 HZ2 TRP 37 -2.549 0.396 -0.814 265 HZ3 TRP 37 HZ3 TRP 37 -1.741 -2.690 -3.647 266 HH2 TRP 37 HH2 TRP 37 -1.153 -0.569 -2.590 267 H ARG 38 H ARG 38 -4.802 -5.775 -3.679 268 HA ARG 38 HA ARG 38 -6.297 -8.277 -3.369 269 HB2 ARG 38 HB2 ARG 38 -6.031 -6.949 -5.812 270 HB3 ARG 38 HB3 ARG 38 -4.813 -8.231 -5.860 271 HG2 ARG 38 HG2 ARG 38 -6.710 -9.208 -6.802 272 HG3 ARG 38 HG3 ARG 38 -6.682 -9.809 -5.136 273 HD2 ARG 38 HD2 ARG 38 -8.428 -8.392 -4.459 274 HD3 ARG 38 HD3 ARG 38 -8.228 -7.348 -5.873 275 HE ARG 38 HE ARG 38 -8.989 -10.031 -6.550 276 HH11 ARG 38 HH11 ARG 38 -10.151 -6.898 -5.569 277 HH12 ARG 38 HH12 ARG 38 -11.731 -7.130 -6.242 278 HH21 ARG 38 HH21 ARG 38 -11.064 -10.347 -7.441 279 HH22 ARG 38 HH22 ARG 38 -12.249 -9.092 -7.306 280 H ARG 39 H ARG 39 -5.084 -9.791 -2.453 281 HA ARG 39 HA ARG 39 -2.233 -9.358 -2.153 282 HB2 ARG 39 HB2 ARG 39 -4.027 -10.277 -0.416 283 HB3 ARG 39 HB3 ARG 39 -3.563 -11.823 -1.141 284 HG2 ARG 39 HG2 ARG 39 -1.120 -10.732 -0.673 285 HG3 ARG 39 HG3 ARG 39 -2.068 -10.071 0.671 286 HD2 ARG 39 HD2 ARG 39 -2.875 -12.699 0.627 287 HD3 ARG 39 HD3 ARG 39 -1.167 -12.808 0.178 288 HE ARG 39 HE ARG 39 -0.587 -12.167 2.305 289 HH11 ARG 39 HH11 ARG 39 -3.986 -11.607 1.803 290 HH12 ARG 39 HH12 ARG 39 -4.308 -11.258 3.468 291 HH21 ARG 39 HH21 ARG 39 -0.999 -11.708 4.502 292 HH22 ARG 39 HH22 ARG 39 -2.608 -11.314 5.003 293 H ILE 40 H ILE 40 -0.806 -10.118 -3.554 294 HA ILE 40 HA ILE 40 -1.402 -12.644 -4.947 295 HB ILE 40 HB ILE 40 -0.453 -11.856 -6.969 296 HG12 ILE 40 HG12 ILE 40 0.352 -9.399 -5.393 297 HG13 ILE 40 HG13 ILE 40 1.433 -10.609 -6.104 298 HG21 ILE 40 HG21 ILE 40 -2.769 -11.140 -6.508 299 HG22 ILE 40 HG22 ILE 40 -2.148 -9.612 -5.884 300 HG23 ILE 40 HG23 ILE 40 -1.914 -10.032 -7.580 301 HD11 ILE 40 HD11 ILE 40 0.614 -9.942 -8.352 302 HD12 ILE 40 HD12 ILE 40 -0.281 -8.632 -7.581 303 HD13 ILE 40 HD13 ILE 40 1.480 -8.672 -7.487 304 HA PRO 41 HA PRO 41 2.494 -14.112 -3.552 305 HB2 PRO 41 HB2 PRO 41 3.170 -15.806 -5.596 306 HB3 PRO 41 HB3 PRO 41 1.898 -16.152 -4.424 307 HG2 PRO 41 HG2 PRO 41 1.681 -15.008 -7.189 308 HG3 PRO 41 HG3 PRO 41 0.695 -16.302 -6.409 309 HD2 PRO 41 HD2 PRO 41 -0.178 -13.744 -6.659 310 HD3 PRO 41 HD3 PRO 41 -0.599 -14.767 -5.275 311 H ALA 42 H ALA 42 4.753 -13.987 -3.895 312 HA ALA 42 HA ALA 42 5.619 -11.710 -5.334 313 HB1 ALA 42 HB1 ALA 42 7.655 -12.027 -4.341 314 HB2 ALA 42 HB2 ALA 42 6.628 -12.947 -3.240 315 HB3 ALA 42 HB3 ALA 42 7.572 -13.783 -4.473 316 H SER 43 H SER 43 5.003 -14.877 -6.327 317 HA SER 43 HA SER 43 6.997 -15.060 -8.381 318 HB2 SER 43 HB2 SER 43 4.755 -16.707 -7.390 319 HB3 SER 43 HB3 SER 43 5.069 -16.847 -9.129 320 HG SER 43 HG SER 43 7.055 -17.129 -7.120 321 H VAL 44 H VAL 44 3.620 -14.074 -8.207 322 HA VAL 44 HA VAL 44 3.541 -13.566 -11.078 323 HB VAL 44 HB VAL 44 1.594 -14.600 -9.853 324 HG11 VAL 44 HG11 VAL 44 1.723 -13.164 -7.854 325 HG12 VAL 44 HG12 VAL 44 1.205 -11.789 -8.831 326 HG13 VAL 44 HG13 VAL 44 0.119 -13.157 -8.587 327 HG21 VAL 44 HG21 VAL 44 1.503 -12.291 -11.690 328 HG22 VAL 44 HG22 VAL 44 0.865 -13.924 -11.885 329 HG23 VAL 44 HG23 VAL 44 -0.022 -12.741 -10.926 330 H VAL 45 H VAL 45 3.819 -11.869 -8.054 331 HA VAL 45 HA VAL 45 3.045 -9.303 -8.764 332 HB VAL 45 HB VAL 45 3.903 -10.256 -6.485 333 HG11 VAL 45 HG11 VAL 45 6.424 -8.881 -7.355 334 HG12 VAL 45 HG12 VAL 45 6.144 -9.879 -5.926 335 HG13 VAL 45 HG13 VAL 45 6.213 -10.624 -7.524 336 HG21 VAL 45 HG21 VAL 45 4.787 -7.704 -6.119 337 HG22 VAL 45 HG22 VAL 45 3.824 -7.543 -7.588 338 HG23 VAL 45 HG23 VAL 45 3.092 -8.195 -6.122 339 H GLY 46 H GLY 46 5.858 -11.103 -9.697 340 HA2 GLY 46 HA2 GLY 46 7.127 -8.694 -10.798 341 HA3 GLY 46 HA3 GLY 46 7.894 -10.263 -10.608 342 H SER 47 H SER 47 4.708 -10.166 -11.925 343 HA SER 47 HA SER 47 5.763 -10.369 -14.657 344 HB2 SER 47 HB2 SER 47 3.532 -12.207 -13.940 345 HB3 SER 47 HB3 SER 47 4.879 -12.438 -15.069 346 HG SER 47 HG SER 47 4.987 -13.735 -13.120 347 H ILE 48 H ILE 48 2.939 -9.977 -12.571 348 HA ILE 48 HA ILE 48 1.136 -9.184 -14.595 349 HB ILE 48 HB ILE 48 -0.199 -8.202 -12.725 350 HG12 ILE 48 HG12 ILE 48 1.210 -9.363 -10.540 351 HG13 ILE 48 HG13 ILE 48 2.338 -8.312 -11.413 352 HG21 ILE 48 HG21 ILE 48 -0.073 -10.585 -11.427 353 HG22 ILE 48 HG22 ILE 48 -0.940 -10.309 -12.936 354 HG23 ILE 48 HG23 ILE 48 0.688 -10.986 -12.965 355 HD11 ILE 48 HD11 ILE 48 1.433 -6.838 -9.917 356 HD12 ILE 48 HD12 ILE 48 0.376 -6.595 -11.308 357 HD13 ILE 48 HD13 ILE 48 -0.157 -7.600 -9.959 358 H ASP 49 H ASP 49 3.598 -7.493 -12.828 359 HA ASP 49 HA ASP 49 2.647 -4.855 -13.337 360 HB2 ASP 49 HB2 ASP 49 5.089 -6.094 -12.209 361 HB3 ASP 49 HB3 ASP 49 5.307 -4.500 -12.945 362 H GLU 50 H GLU 50 2.147 -5.020 -15.607 363 HA GLU 50 HA GLU 50 4.230 -5.458 -17.524 364 HB2 GLU 50 HB2 GLU 50 2.553 -4.756 -19.188 365 HB3 GLU 50 HB3 GLU 50 1.928 -5.993 -18.086 366 HG2 GLU 50 HG2 GLU 50 0.688 -4.350 -16.840 367 HG3 GLU 50 HG3 GLU 50 1.405 -3.045 -17.796 368 H SER 51 H SER 51 2.997 -2.735 -15.795 369 HA SER 51 HA SER 51 5.099 -1.057 -16.792 370 HB2 SER 51 HB2 SER 51 2.960 -1.013 -18.416 371 HB3 SER 51 HB3 SER 51 2.432 0.190 -17.226 372 HG SER 51 HG SER 51 3.599 1.205 -18.869 373 H SER 52 H SER 52 1.893 -0.868 -15.240 374 HA SER 52 HA SER 52 2.838 -0.275 -12.683 375 HB2 SER 52 HB2 SER 52 2.991 1.956 -14.465 376 HB3 SER 52 HB3 SER 52 1.712 2.276 -13.279 377 HG SER 52 HG SER 52 3.336 1.607 -11.664 378 H ARG 53 H ARG 53 0.314 0.147 -15.078 379 HA ARG 53 HA ARG 53 -1.776 0.352 -13.090 380 HB2 ARG 53 HB2 ARG 53 -1.669 0.351 -16.088 381 HB3 ARG 53 HB3 ARG 53 -3.210 0.062 -15.266 382 HG2 ARG 53 HG2 ARG 53 -3.376 2.197 -14.484 383 HG3 ARG 53 HG3 ARG 53 -1.620 2.416 -14.416 384 HD2 ARG 53 HD2 ARG 53 -3.114 2.176 -17.025 385 HD3 ARG 53 HD3 ARG 53 -2.876 3.724 -16.200 386 HE ARG 53 HE ARG 53 -0.913 2.227 -17.663 387 HH11 ARG 53 HH11 ARG 53 -1.411 4.562 -15.129 388 HH12 ARG 53 HH12 ARG 53 0.165 5.262 -15.286 389 HH21 ARG 53 HH21 ARG 53 1.166 3.141 -17.878 390 HH22 ARG 53 HH22 ARG 53 1.630 4.454 -16.850 391 H TRP 54 H TRP 54 -2.943 -1.272 -12.275 392 HA TRP 54 HA TRP 54 -2.892 -3.877 -13.629 393 HB2 TRP 54 HB2 TRP 54 -1.216 -4.027 -11.885 394 HB3 TRP 54 HB3 TRP 54 -2.349 -3.383 -10.695 395 HD1 TRP 54 HD1 TRP 54 -1.358 -6.614 -12.388 396 HE1 TRP 54 HE1 TRP 54 -2.693 -8.558 -11.357 397 HE3 TRP 54 HE3 TRP 54 -4.702 -3.923 -9.610 398 HZ2 TRP 54 HZ2 TRP 54 -4.874 -8.906 -9.600 399 HZ3 TRP 54 HZ3 TRP 54 -6.380 -5.139 -8.282 400 HH2 TRP 54 HH2 TRP 54 -6.463 -7.578 -8.279 401 H ILE 55 H ILE 55 -4.756 -5.071 -13.477 402 HA ILE 55 HA ILE 55 -6.965 -3.890 -11.927 403 HB ILE 55 HB ILE 55 -8.459 -4.768 -13.826 404 HG12 ILE 55 HG12 ILE 55 -5.780 -4.623 -15.230 405 HG13 ILE 55 HG13 ILE 55 -6.791 -6.063 -15.026 406 HG21 ILE 55 HG21 ILE 55 -8.099 -2.397 -13.310 407 HG22 ILE 55 HG22 ILE 55 -6.674 -2.396 -14.348 408 HG23 ILE 55 HG23 ILE 55 -8.271 -2.674 -15.043 409 HD11 ILE 55 HD11 ILE 55 -6.957 -3.937 -17.012 410 HD12 ILE 55 HD12 ILE 55 -7.537 -5.602 -17.073 411 HD13 ILE 55 HD13 ILE 55 -8.506 -4.359 -16.281 412 H CYS 56 H CYS 56 -8.839 -5.479 -11.733 413 HA CYS 56 HA CYS 56 -7.967 -7.779 -10.394 414 HB2 CYS 56 HB2 CYS 56 -10.706 -7.229 -11.565 415 HB3 CYS 56 HB3 CYS 56 -10.335 -8.417 -10.315 416 H MET 57 H MET 57 -9.534 -7.468 -13.580 417 HA MET 57 HA MET 57 -9.489 -10.174 -14.262 418 HB2 MET 57 HB2 MET 57 -9.654 -9.389 -16.617 419 HB3 MET 57 HB3 MET 57 -10.817 -8.614 -15.529 420 HG2 MET 57 HG2 MET 57 -8.625 -6.921 -15.454 421 HG3 MET 57 HG3 MET 57 -8.714 -7.441 -17.139 422 HE1 MET 57 HE1 MET 57 -11.455 -4.705 -14.832 423 HE2 MET 57 HE2 MET 57 -11.782 -6.396 -14.449 424 HE3 MET 57 HE3 MET 57 -10.160 -5.737 -14.224 425 H ASN 58 H ASN 58 -6.947 -7.869 -14.109 426 HA ASN 58 HA ASN 58 -5.176 -9.276 -15.898 427 HB2 ASN 58 HB2 ASN 58 -5.094 -6.794 -14.287 428 HB3 ASN 58 HB3 ASN 58 -3.540 -7.607 -14.516 429 HD21 ASN 58 HD21 ASN 58 -6.309 -7.390 -16.699 430 HD22 ASN 58 HD22 ASN 58 -5.462 -6.595 -17.977 431 H ASN 59 H ASN 59 -6.206 -9.740 -12.749 432 HA ASN 59 HA ASN 59 -3.872 -10.549 -11.422 433 HB2 ASN 59 HB2 ASN 59 -6.237 -10.155 -10.477 434 HB3 ASN 59 HB3 ASN 59 -6.563 -11.822 -10.966 435 HD21 ASN 59 HD21 ASN 59 -6.944 -11.846 -8.553 436 HD22 ASN 59 HD22 ASN 59 -5.596 -12.288 -7.565 437 H SER 60 H SER 60 -3.080 -12.666 -10.961 438 HA SER 60 HA SER 60 -3.014 -14.353 -13.278 439 HB2 SER 60 HB2 SER 60 -0.966 -14.568 -12.343 440 HB3 SER 60 HB3 SER 60 -1.561 -14.141 -10.729 441 HG SER 60 HG SER 60 -0.800 -16.424 -11.217 442 H ASP 61 H ASP 61 -4.760 -14.300 -10.291 443 HA ASP 61 HA ASP 61 -5.480 -17.038 -10.177 444 HB2 ASP 61 HB2 ASP 61 -5.807 -14.845 -8.535 445 HB3 ASP 61 HB3 ASP 61 -7.455 -15.167 -9.090 446 H LYS 62 H LYS 62 -8.180 -17.189 -10.000 447 HA LYS 62 HA LYS 62 -9.157 -16.376 -12.655 448 HB2 LYS 62 HB2 LYS 62 -9.834 -19.021 -11.368 449 HB3 LYS 62 HB3 LYS 62 -10.129 -18.510 -13.037 450 HG2 LYS 62 HG2 LYS 62 -8.316 -19.793 -13.437 451 HG3 LYS 62 HG3 LYS 62 -7.466 -18.300 -12.999 452 HD2 LYS 62 HD2 LYS 62 -6.444 -20.095 -11.790 453 HD3 LYS 62 HD3 LYS 62 -7.381 -19.126 -10.639 454 HE2 LYS 62 HE2 LYS 62 -8.511 -20.941 -10.020 455 HE3 LYS 62 HE3 LYS 62 -9.114 -21.110 -11.676 456 HZ1 LYS 62 HZ1 LYS 62 -6.428 -22.100 -10.976 457 HZ2 LYS 62 HZ2 LYS 62 -7.455 -22.597 -12.225 458 HZ3 LYS 62 HZ3 LYS 62 -7.795 -23.034 -10.627 459 H ARG 63 H ARG 63 -10.141 -17.645 -9.478 460 HA ARG 63 HA ARG 63 -12.836 -16.716 -9.752 461 HB2 ARG 63 HB2 ARG 63 -11.212 -18.007 -7.603 462 HB3 ARG 63 HB3 ARG 63 -12.708 -17.178 -7.144 463 HG2 ARG 63 HG2 ARG 63 -13.683 -19.151 -7.544 464 HG3 ARG 63 HG3 ARG 63 -13.562 -18.669 -9.244 465 HD2 ARG 63 HD2 ARG 63 -11.149 -19.737 -9.030 466 HD3 ARG 63 HD3 ARG 63 -11.921 -20.615 -7.701 467 HE ARG 63 HE ARG 63 -13.052 -21.864 -9.241 468 HH11 ARG 63 HH11 ARG 63 -11.892 -18.965 -10.781 469 HH12 ARG 63 HH12 ARG 63 -12.379 -19.457 -12.369 470 HH21 ARG 63 HH21 ARG 63 -13.699 -22.522 -11.327 471 HH22 ARG 63 HH22 ARG 63 -13.408 -21.480 -12.678 472 H PHE 64 H PHE 64 -9.870 -15.356 -8.636 473 HA PHE 64 HA PHE 64 -11.327 -13.031 -7.567 474 HB2 PHE 64 HB2 PHE 64 -8.659 -14.227 -6.831 475 HB3 PHE 64 HB3 PHE 64 -9.061 -12.557 -6.424 476 HD1 PHE 64 HD1 PHE 64 -10.170 -16.055 -5.934 477 HD2 PHE 64 HD2 PHE 64 -10.367 -12.032 -4.558 478 HE1 PHE 64 HE1 PHE 64 -11.340 -16.809 -3.905 479 HE2 PHE 64 HE2 PHE 64 -11.537 -12.781 -2.527 480 HZ PHE 64 HZ PHE 64 -12.025 -15.172 -2.198 481 H ALA 65 H ALA 65 -10.425 -13.749 -10.368 482 HA ALA 65 HA ALA 65 -8.710 -11.406 -10.868 483 HB1 ALA 65 HB1 ALA 65 -9.121 -13.522 -12.926 484 HB2 ALA 65 HB2 ALA 65 -7.727 -12.479 -12.642 485 HB3 ALA 65 HB3 ALA 65 -8.044 -13.842 -11.567 486 H ASP 66 H ASP 66 -10.905 -10.305 -10.570 487 HA ASP 66 HA ASP 66 -11.792 -9.338 -13.034 488 HB2 ASP 66 HB2 ASP 66 -13.173 -11.741 -12.076 489 HB3 ASP 66 HB3 ASP 66 -14.264 -10.386 -12.397 490 H CYS 67 H CYS 67 -13.101 -7.544 -12.806 491 HA CYS 67 HA CYS 67 -13.146 -6.328 -10.246 492 HB2 CYS 67 HB2 CYS 67 -14.136 -5.622 -12.974 493 HB3 CYS 67 HB3 CYS 67 -14.780 -4.718 -11.601 494 H SER 68 H SER 68 -15.357 -8.358 -11.929 495 HA SER 68 HA SER 68 -17.750 -7.557 -10.634 496 HB2 SER 68 HB2 SER 68 -17.343 -9.062 -12.767 497 HB3 SER 68 HB3 SER 68 -17.349 -10.372 -11.575 498 HG SER 68 HG SER 68 -19.409 -8.436 -11.737 499 H LYS 69 H LYS 69 -15.112 -9.627 -9.739 500 HA LYS 69 HA LYS 69 -16.456 -11.066 -7.683 501 HB2 LYS 69 HB2 LYS 69 -13.491 -10.503 -7.821 502 HB3 LYS 69 HB3 LYS 69 -14.304 -11.880 -7.058 503 HG2 LYS 69 HG2 LYS 69 -14.197 -11.324 -10.024 504 HG3 LYS 69 HG3 LYS 69 -13.227 -12.522 -9.149 505 HD2 LYS 69 HD2 LYS 69 -15.261 -13.711 -8.481 506 HD3 LYS 69 HD3 LYS 69 -16.241 -12.506 -9.337 507 HE2 LYS 69 HE2 LYS 69 -14.727 -13.171 -11.387 508 HE3 LYS 69 HE3 LYS 69 -14.473 -14.643 -10.440 509 HZ1 LYS 69 HZ1 LYS 69 -16.406 -15.385 -11.181 510 HZ2 LYS 69 HZ2 LYS 69 -16.692 -13.942 -12.015 511 HZ3 LYS 69 HZ3 LYS 69 -17.205 -14.107 -10.412 512 H SER 70 H SER 70 -15.048 -10.882 -5.416 513 HA SER 70 HA SER 70 -15.520 -8.110 -4.540 514 HB2 SER 70 HB2 SER 70 -15.847 -10.750 -3.104 515 HB3 SER 70 HB3 SER 70 -15.775 -9.205 -2.237 516 HG SER 70 HG SER 70 -17.915 -9.636 -2.644 517 H GLN 71 H GLN 71 -14.286 -7.843 -2.265 518 HA GLN 71 HA GLN 71 -11.511 -7.850 -2.960 519 HB2 GLN 71 HB2 GLN 71 -12.724 -6.061 -1.632 520 HB3 GLN 71 HB3 GLN 71 -12.687 -7.185 -0.264 521 HG2 GLN 71 HG2 GLN 71 -10.361 -7.089 -0.073 522 HG3 GLN 71 HG3 GLN 71 -10.176 -6.406 -1.694 523 HE21 GLN 71 HE21 GLN 71 -8.823 -5.087 0.046 524 HE22 GLN 71 HE22 GLN 71 -9.588 -3.620 0.542 525 H GLU 72 H GLU 72 -9.821 -8.670 -1.464 526 HA GLU 72 HA GLU 72 -10.435 -11.422 -0.746 527 HB2 GLU 72 HB2 GLU 72 -7.803 -9.926 -0.825 528 HB3 GLU 72 HB3 GLU 72 -7.985 -11.653 -0.488 529 HG2 GLU 72 HG2 GLU 72 -9.339 -11.319 -2.876 530 HG3 GLU 72 HG3 GLU 72 -7.936 -10.253 -3.025 531 H MET 73 H MET 73 -9.264 -8.450 0.765 532 HA MET 73 HA MET 73 -9.978 -9.580 3.375 533 HB2 MET 73 HB2 MET 73 -7.330 -8.509 2.517 534 HB3 MET 73 HB3 MET 73 -7.882 -8.134 4.156 535 HG2 MET 73 HG2 MET 73 -8.366 -10.785 4.109 536 HG3 MET 73 HG3 MET 73 -7.002 -10.691 2.993 537 HE1 MET 73 HE1 MET 73 -5.601 -7.830 5.133 538 HE2 MET 73 HE2 MET 73 -4.272 -8.975 4.945 539 HE3 MET 73 HE3 MET 73 -5.357 -8.652 3.591 540 H SER 74 H SER 74 -10.063 -7.825 5.081 541 HA SER 74 HA SER 74 -11.644 -5.647 4.037 542 HB2 SER 74 HB2 SER 74 -10.852 -6.287 6.896 543 HB3 SER 74 HB3 SER 74 -12.083 -5.116 6.392 544 HG SER 74 HG SER 74 -13.416 -6.711 5.831 545 H ASN 75 H ASN 75 -11.266 -3.413 4.516 546 HA ASN 75 HA ASN 75 -8.759 -2.471 3.854 547 HB2 ASN 75 HB2 ASN 75 -11.276 -1.346 4.683 548 HB3 ASN 75 HB3 ASN 75 -9.951 -0.475 5.463 549 HD21 ASN 75 HD21 ASN 75 -10.076 -2.025 2.290 550 HD22 ASN 75 HD22 ASN 75 -9.754 -0.590 1.382 551 H GLU 76 H GLU 76 -10.180 -2.831 7.087 552 HA GLU 76 HA GLU 76 -8.141 -1.716 8.596 553 HB2 GLU 76 HB2 GLU 76 -8.913 -3.252 10.427 554 HB3 GLU 76 HB3 GLU 76 -10.197 -2.304 9.659 555 HG2 GLU 76 HG2 GLU 76 -10.698 -4.304 8.225 556 HG3 GLU 76 HG3 GLU 76 -9.577 -5.215 9.248 557 H GLU 77 H GLU 77 -8.508 -5.084 7.521 558 HA GLU 77 HA GLU 77 -6.225 -6.126 8.740 559 HB2 GLU 77 HB2 GLU 77 -7.565 -6.932 6.148 560 HB3 GLU 77 HB3 GLU 77 -6.340 -7.894 6.989 561 HG2 GLU 77 HG2 GLU 77 -8.044 -7.601 9.011 562 HG3 GLU 77 HG3 GLU 77 -9.184 -7.432 7.668 563 H ILE 78 H ILE 78 -6.604 -4.985 5.383 564 HA ILE 78 HA ILE 78 -3.931 -5.270 4.626 565 HB ILE 78 HB ILE 78 -5.901 -3.218 3.611 566 HG12 ILE 78 HG12 ILE 78 -5.294 -5.769 2.182 567 HG13 ILE 78 HG13 ILE 78 -6.382 -5.834 3.580 568 HG21 ILE 78 HG21 ILE 78 -4.451 -3.612 1.491 569 HG22 ILE 78 HG22 ILE 78 -3.869 -2.531 2.756 570 HG23 ILE 78 HG23 ILE 78 -3.241 -4.174 2.645 571 HD11 ILE 78 HD11 ILE 78 -7.148 -5.318 1.015 572 HD12 ILE 78 HD12 ILE 78 -8.074 -4.915 2.461 573 HD13 ILE 78 HD13 ILE 78 -7.041 -3.700 1.707 574 H ASN 79 H ASN 79 -5.594 -2.636 6.258 575 HA ASN 79 HA ASN 79 -3.567 -0.698 6.044 576 HB2 ASN 79 HB2 ASN 79 -5.231 0.495 6.935 577 HB3 ASN 79 HB3 ASN 79 -6.085 -0.980 7.403 578 HD21 ASN 79 HD21 ASN 79 -6.362 -1.336 9.483 579 HD22 ASN 79 HD22 ASN 79 -5.475 -0.593 10.766 580 H GLU 80 H GLU 80 -4.259 -3.093 8.572 581 HA GLU 80 HA GLU 80 -2.055 -2.326 10.211 582 HB2 GLU 80 HB2 GLU 80 -2.795 -3.888 11.694 583 HB3 GLU 80 HB3 GLU 80 -4.268 -3.717 10.725 584 HG2 GLU 80 HG2 GLU 80 -4.111 -5.987 10.785 585 HG3 GLU 80 HG3 GLU 80 -3.180 -5.650 9.319 586 H GLU 81 H GLU 81 -2.473 -4.481 7.525 587 HA GLU 81 HA GLU 81 -0.175 -6.090 7.957 588 HB2 GLU 81 HB2 GLU 81 -2.011 -6.793 6.493 589 HB3 GLU 81 HB3 GLU 81 -1.641 -5.459 5.388 590 HG2 GLU 81 HG2 GLU 81 -0.797 -7.687 4.651 591 HG3 GLU 81 HG3 GLU 81 0.437 -6.426 4.776 592 H LEU 82 H LEU 82 -0.761 -3.323 5.788 593 HA LEU 82 HA LEU 82 2.022 -3.145 5.075 594 HB2 LEU 82 HB2 LEU 82 -0.192 -1.151 4.569 595 HB3 LEU 82 HB3 LEU 82 1.375 -1.240 3.749 596 HG LEU 82 HG LEU 82 -0.281 -3.665 3.534 597 HD11 LEU 82 HD11 LEU 82 -2.014 -1.945 3.403 598 HD12 LEU 82 HD12 LEU 82 -1.755 -2.721 1.842 599 HD13 LEU 82 HD13 LEU 82 -1.097 -1.114 2.146 600 HD21 LEU 82 HD21 LEU 82 1.672 -2.111 1.964 601 HD22 LEU 82 HD22 LEU 82 0.425 -2.944 1.037 602 HD23 LEU 82 HD23 LEU 82 1.471 -3.856 2.126 603 H GLY 83 H GLY 83 -0.120 -1.651 7.385 604 HA2 GLY 83 HA2 GLY 83 0.554 -0.538 9.333 605 HA3 GLY 83 HA3 GLY 83 2.170 -0.386 8.661 606 H ILE 84 H ILE 84 -0.731 0.551 6.934 607 HA ILE 84 HA ILE 84 0.208 3.335 7.019 608 HB ILE 84 HB ILE 84 -1.109 3.699 4.990 609 HG12 ILE 84 HG12 ILE 84 -1.724 0.741 5.203 610 HG13 ILE 84 HG13 ILE 84 -2.887 2.061 5.413 611 HG21 ILE 84 HG21 ILE 84 0.501 2.897 3.618 612 HG22 ILE 84 HG22 ILE 84 1.283 2.504 5.148 613 HG23 ILE 84 HG23 ILE 84 0.393 1.262 4.268 614 HD11 ILE 84 HD11 ILE 84 -2.212 0.724 3.037 615 HD12 ILE 84 HD12 ILE 84 -3.301 2.095 3.245 616 HD13 ILE 84 HD13 ILE 84 -1.596 2.370 2.891 617 H GLY 85 H GLY 85 -1.913 4.790 6.377 618 HA2 GLY 85 HA2 GLY 85 -3.857 4.206 8.526 619 HA3 GLY 85 HA3 GLY 85 -3.335 5.827 8.099 620 H GLN 86 H GLN 86 -4.812 2.968 6.562 621 HA GLN 86 HA GLN 86 -5.982 4.291 4.412 622 HB2 GLN 86 HB2 GLN 86 -6.195 1.689 5.687 623 HB3 GLN 86 HB3 GLN 86 -7.755 2.239 5.055 624 HG2 GLN 86 HG2 GLN 86 -6.975 2.352 2.854 625 HG3 GLN 86 HG3 GLN 86 -5.283 2.313 3.368 626 HE21 GLN 86 HE21 GLN 86 -4.464 0.523 2.527 627 HE22 GLN 86 HE22 GLN 86 -5.132 -1.061 2.686 628 H ASP 87 H ASP 87 -8.546 4.174 4.190 629 HA ASP 87 HA ASP 87 -9.530 6.119 6.092 630 HB2 ASP 87 HB2 ASP 87 -10.567 4.974 3.507 631 HB3 ASP 87 HB3 ASP 87 -11.611 5.946 4.555 632 H GLU 88 H GLU 88 -9.173 4.016 7.602 633 HA GLU 88 HA GLU 88 -11.546 2.348 7.685 634 HB2 GLU 88 HB2 GLU 88 -10.455 1.188 9.518 635 HB3 GLU 88 HB3 GLU 88 -9.327 1.384 8.168 636 HG2 GLU 88 HG2 GLU 88 -8.735 3.602 9.570 637 HG3 GLU 88 HG3 GLU 88 -9.253 2.530 10.880 638 H ALA 89 H ALA 89 -10.104 5.003 9.484 639 HA ALA 89 HA ALA 89 -12.136 4.939 11.539 640 HB1 ALA 89 HB1 ALA 89 -10.849 6.419 12.679 641 HB2 ALA 89 HB2 ALA 89 -9.608 5.779 11.602 642 HB3 ALA 89 HB3 ALA 89 -10.395 7.313 11.228 643 H ASP 90 H ASP 90 -12.751 7.545 11.985 644 HA ASP 90 HA ASP 90 -13.539 9.073 9.783 645 HB2 ASP 90 HB2 ASP 90 -15.280 6.816 10.393 646 HB3 ASP 90 HB3 ASP 90 -16.136 8.361 10.482 647 H ALA 91 H ALA 91 -15.504 8.130 12.591 648 HA ALA 91 HA ALA 91 -15.638 10.904 13.429 649 HB1 ALA 91 HB1 ALA 91 -17.680 9.626 13.486 650 HB2 ALA 91 HB2 ALA 91 -16.938 8.420 14.537 651 HB3 ALA 91 HB3 ALA 91 -17.220 10.056 15.134 652 H TYR 92 H TYR 92 -13.668 11.475 14.264 653 HA TYR 92 HA TYR 92 -12.988 10.265 16.836 654 HB2 TYR 92 HB2 TYR 92 -10.628 10.100 16.305 655 HB3 TYR 92 HB3 TYR 92 -11.562 9.152 15.146 656 HD1 TYR 92 HD1 TYR 92 -11.795 9.871 12.819 657 HD2 TYR 92 HD2 TYR 92 -9.427 12.082 15.576 658 HE1 TYR 92 HE1 TYR 92 -10.741 11.066 10.946 659 HE2 TYR 92 HE2 TYR 92 -8.367 13.285 13.712 660 HH TYR 92 HH TYR 92 -9.342 12.689 10.351 661 H ASP 93 H ASP 93 -11.075 11.611 17.820 662 HA ASP 93 HA ASP 93 -10.515 13.591 18.799 663 HB2 ASP 93 HB2 ASP 93 -9.397 13.909 16.641 664 HB3 ASP 93 HB3 ASP 93 -10.881 14.596 15.968 665 H CYS 94 H CYS 94 -12.307 13.810 20.145 666 HA CYS 94 HA CYS 94 -14.809 14.818 19.387 667 HB2 CYS 94 HB2 CYS 94 -13.525 14.004 21.784 668 HB3 CYS 94 HB3 CYS 94 -14.197 15.608 22.076 669 H ASP 95 H ASP 95 -15.621 16.934 20.608 670 HA ASP 95 HA ASP 95 -13.713 19.119 20.244 671 HB2 ASP 95 HB2 ASP 95 -16.470 19.350 19.052 672 HB3 ASP 95 HB3 ASP 95 -15.037 20.336 18.733 673 H ALA 96 H ALA 96 -16.952 18.123 21.263 674 HA ALA 96 HA ALA 96 -17.662 20.404 22.706 675 HB1 ALA 96 HB1 ALA 96 -18.440 17.519 22.986 676 HB2 ALA 96 HB2 ALA 96 -19.101 18.772 24.036 677 HB3 ALA 96 HB3 ALA 96 -19.366 18.850 22.294 678 H ALA 97 H ALA 97 -15.430 17.867 23.457 679 HA ALA 97 HA ALA 97 -15.361 18.113 26.261 680 HB1 ALA 97 HB1 ALA 97 -14.340 16.196 25.446 681 HB2 ALA 97 HB2 ALA 97 -13.427 17.081 24.222 682 HB3 ALA 97 HB3 ALA 97 -12.968 17.198 25.921 683 H LYS 98 H LYS 98 -13.728 19.867 23.687 684 HA LYS 98 HA LYS 98 -13.147 22.045 25.472 685 HB2 LYS 98 HB2 LYS 98 -11.008 20.184 24.532 686 HB3 LYS 98 HB3 LYS 98 -10.640 21.914 24.613 687 HG2 LYS 98 HG2 LYS 98 -10.114 21.594 26.746 688 HG3 LYS 98 HG3 LYS 98 -11.850 21.388 27.041 689 HD2 LYS 98 HD2 LYS 98 -10.679 19.507 27.990 690 HD3 LYS 98 HD3 LYS 98 -11.596 18.961 26.575 691 HE2 LYS 98 HE2 LYS 98 -9.658 18.810 25.229 692 HE3 LYS 98 HE3 LYS 98 -8.704 19.755 26.383 693 HZ1 LYS 98 HZ1 LYS 98 -9.325 16.932 26.386 694 HZ2 LYS 98 HZ2 LYS 98 -9.474 17.680 27.896 695 HZ3 LYS 98 HZ3 LYS 98 -8.006 17.752 27.057 696 H ARG 99 H ARG 99 -13.011 23.953 24.398 697 HA ARG 99 HA ARG 99 -13.783 24.032 21.671 698 HB2 ARG 99 HB2 ARG 99 -13.397 25.908 23.847 699 HB3 ARG 99 HB3 ARG 99 -12.768 26.556 22.325 700 HG2 ARG 99 HG2 ARG 99 -14.881 26.340 21.246 701 HG3 ARG 99 HG3 ARG 99 -15.537 25.422 22.613 702 HD2 ARG 99 HD2 ARG 99 -16.063 27.280 23.744 703 HD3 ARG 99 HD3 ARG 99 -14.469 27.987 23.445 704 HE ARG 99 HE ARG 99 -15.353 29.175 21.696 705 HH11 ARG 99 HH11 ARG 99 -17.577 26.659 22.618 706 HH12 ARG 99 HH12 ARG 99 -18.855 27.237 21.602 707 HH21 ARG 99 HH21 ARG 99 -17.030 29.946 20.354 708 HH22 ARG 99 HH22 ARG 99 -18.543 29.105 20.314 709 H GLY 100 H GLY 100 -10.772 25.116 23.263 710 HA2 GLY 100 HA2 GLY 100 -8.913 23.977 21.649 711 HA3 GLY 100 HA3 GLY 100 -9.428 25.378 20.723 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -22.694 32.949 2.567 2 HA2 GLY 1 HA2 GLY 1 -20.834 33.514 3.925 3 HA3 GLY 1 HA3 GLY 1 -21.625 32.739 5.288 4 H SER 2 H SER 2 -18.911 32.364 4.412 5 HA SER 2 HA SER 2 -18.922 29.656 3.302 6 HB2 SER 2 HB2 SER 2 -17.384 31.342 2.316 7 HB3 SER 2 HB3 SER 2 -16.574 31.476 3.885 8 HG SER 2 HG SER 2 -16.183 29.158 3.689 9 H ARG 3 H ARG 3 -18.012 27.900 4.360 10 HA ARG 3 HA ARG 3 -16.859 28.164 6.981 11 HB2 ARG 3 HB2 ARG 3 -18.569 26.742 8.103 12 HB3 ARG 3 HB3 ARG 3 -19.166 28.342 7.636 13 HG2 ARG 3 HG2 ARG 3 -20.146 27.291 5.577 14 HG3 ARG 3 HG3 ARG 3 -19.724 25.719 6.279 15 HD2 ARG 3 HD2 ARG 3 -21.459 27.779 7.656 16 HD3 ARG 3 HD3 ARG 3 -22.080 26.431 6.693 17 HE ARG 3 HE ARG 3 -20.324 25.453 8.672 18 HH11 ARG 3 HH11 ARG 3 -23.498 26.835 8.298 19 HH12 ARG 3 HH12 ARG 3 -24.147 26.050 9.700 20 HH21 ARG 3 HH21 ARG 3 -21.169 24.414 10.519 21 HH22 ARG 3 HH22 ARG 3 -22.821 24.674 10.962 22 H ARG 4 H ARG 4 -15.812 26.294 7.672 23 HA ARG 4 HA ARG 4 -16.130 23.802 6.273 24 HB2 ARG 4 HB2 ARG 4 -13.700 23.744 5.558 25 HB3 ARG 4 HB3 ARG 4 -14.763 24.799 4.613 26 HG2 ARG 4 HG2 ARG 4 -13.545 26.213 6.837 27 HG3 ARG 4 HG3 ARG 4 -12.344 25.496 5.750 28 HD2 ARG 4 HD2 ARG 4 -13.569 26.542 3.822 29 HD3 ARG 4 HD3 ARG 4 -14.572 27.384 5.013 30 HE ARG 4 HE ARG 4 -11.855 27.997 4.292 31 HH11 ARG 4 HH11 ARG 4 -14.316 28.297 6.736 32 HH12 ARG 4 HH12 ARG 4 -13.611 29.706 7.457 33 HH21 ARG 4 HH21 ARG 4 -10.918 29.852 5.232 34 HH22 ARG 4 HH22 ARG 4 -11.680 30.591 6.600 35 H ALA 5 H ALA 5 -14.937 22.079 7.231 36 HA ALA 5 HA ALA 5 -13.213 22.532 9.470 37 HB1 ALA 5 HB1 ALA 5 -16.054 22.304 9.943 38 HB2 ALA 5 HB2 ALA 5 -15.160 21.016 10.750 39 HB3 ALA 5 HB3 ALA 5 -14.754 22.704 11.064 40 H SER 6 H SER 6 -11.747 21.011 9.085 41 HA SER 6 HA SER 6 -12.403 18.245 9.186 42 HB2 SER 6 HB2 SER 6 -11.094 18.244 6.708 43 HB3 SER 6 HB3 SER 6 -12.796 17.856 7.011 44 HG SER 6 HG SER 6 -13.387 19.858 6.424 45 H VAL 7 H VAL 7 -10.659 17.053 9.765 46 HA VAL 7 HA VAL 7 -8.283 18.404 10.534 47 HB VAL 7 HB VAL 7 -7.433 16.137 11.109 48 HG11 VAL 7 HG11 VAL 7 -10.228 16.754 12.064 49 HG12 VAL 7 HG12 VAL 7 -9.071 15.699 12.877 50 HG13 VAL 7 HG13 VAL 7 -8.734 17.423 12.719 51 HG21 VAL 7 HG21 VAL 7 -9.959 14.771 10.731 52 HG22 VAL 7 HG22 VAL 7 -9.257 15.287 9.198 53 HG23 VAL 7 HG23 VAL 7 -8.327 14.264 10.294 54 H GLY 8 H GLY 8 -6.078 17.663 9.901 55 HA2 GLY 8 HA2 GLY 8 -5.651 16.364 7.406 56 HA3 GLY 8 HA3 GLY 8 -5.566 18.108 7.216 57 H SER 9 H SER 9 -3.534 18.773 7.162 58 HA SER 9 HA SER 9 -1.706 17.981 9.272 59 HB2 SER 9 HB2 SER 9 -1.555 16.374 7.189 60 HB3 SER 9 HB3 SER 9 -0.656 17.724 6.476 61 HG SER 9 HG SER 9 0.954 17.403 7.830 62 H GLU 10 H GLU 10 0.130 19.362 9.454 63 HA GLU 10 HA GLU 10 0.172 21.730 7.742 64 HB2 GLU 10 HB2 GLU 10 -1.294 22.016 9.877 65 HB3 GLU 10 HB3 GLU 10 0.264 22.107 10.716 66 HG2 GLU 10 HG2 GLU 10 0.787 24.137 9.850 67 HG3 GLU 10 HG3 GLU 10 -0.085 23.834 8.341 68 H PHE 11 H PHE 11 2.111 23.074 8.113 69 HA PHE 11 HA PHE 11 4.384 23.235 8.099 70 HB2 PHE 11 HB2 PHE 11 3.535 22.671 10.701 71 HB3 PHE 11 HB3 PHE 11 4.899 21.585 10.436 72 HD1 PHE 11 HD1 PHE 11 4.058 25.150 9.704 73 HD2 PHE 11 HD2 PHE 11 6.951 22.353 11.089 74 HE1 PHE 11 HE1 PHE 11 5.633 26.993 10.124 75 HE2 PHE 11 HE2 PHE 11 8.530 24.191 11.514 76 HZ PHE 11 HZ PHE 11 7.871 26.514 11.033 77 H MET 12 H MET 12 6.451 21.625 8.822 78 HA MET 12 HA MET 12 6.062 19.277 7.089 79 HB2 MET 12 HB2 MET 12 8.329 19.434 6.414 80 HB3 MET 12 HB3 MET 12 7.676 21.079 6.341 81 HG2 MET 12 HG2 MET 12 8.712 20.800 8.932 82 HG3 MET 12 HG3 MET 12 9.895 20.062 7.850 83 HE1 MET 12 HE1 MET 12 11.088 21.253 5.900 84 HE2 MET 12 HE2 MET 12 11.696 22.867 6.269 85 HE3 MET 12 HE3 MET 12 11.905 21.557 7.434 86 H VAL 13 H VAL 13 5.655 19.586 10.058 87 HA VAL 13 HA VAL 13 7.738 18.172 11.378 88 HB VAL 13 HB VAL 13 6.045 17.846 13.195 89 HG11 VAL 13 HG11 VAL 13 5.993 20.714 12.347 90 HG12 VAL 13 HG12 VAL 13 6.229 20.025 13.954 91 HG13 VAL 13 HG13 VAL 13 7.522 19.937 12.758 92 HG21 VAL 13 HG21 VAL 13 3.864 18.680 13.034 93 HG22 VAL 13 HG22 VAL 13 4.225 19.595 11.570 94 HG23 VAL 13 HG23 VAL 13 4.117 17.837 11.505 95 H VAL 14 H VAL 14 7.323 16.059 12.515 96 HA VAL 14 HA VAL 14 7.132 13.794 12.308 97 HB VAL 14 HB VAL 14 4.455 14.270 11.028 98 HG11 VAL 14 HG11 VAL 14 5.735 12.128 12.658 99 HG12 VAL 14 HG12 VAL 14 3.988 12.352 12.753 100 HG13 VAL 14 HG13 VAL 14 4.749 11.999 11.202 101 HG21 VAL 14 HG21 VAL 14 3.579 14.443 13.389 102 HG22 VAL 14 HG22 VAL 14 5.244 14.725 13.897 103 HG23 VAL 14 HG23 VAL 14 4.456 15.852 12.794 104 H ASP 15 H ASP 15 8.752 13.503 10.739 105 HA ASP 15 HA ASP 15 7.717 12.602 8.163 106 HB2 ASP 15 HB2 ASP 15 9.660 14.836 8.575 107 HB3 ASP 15 HB3 ASP 15 9.921 13.744 7.208 108 H VAL 16 H VAL 16 8.890 10.946 7.229 109 HA VAL 16 HA VAL 16 11.444 10.145 8.308 110 HB VAL 16 HB VAL 16 9.696 9.201 9.894 111 HG11 VAL 16 HG11 VAL 16 8.154 7.680 9.234 112 HG12 VAL 16 HG12 VAL 16 8.323 8.526 7.694 113 HG13 VAL 16 HG13 VAL 16 9.189 7.014 7.972 114 HG21 VAL 16 HG21 VAL 16 12.038 8.043 8.771 115 HG22 VAL 16 HG22 VAL 16 11.384 7.849 10.397 116 HG23 VAL 16 HG23 VAL 16 10.885 6.752 9.109 117 H THR 17 H THR 17 10.071 10.839 5.727 118 HA THR 17 HA THR 17 10.029 10.171 3.546 119 HB THR 17 HB THR 17 11.975 9.144 2.713 120 HG1 THR 17 HG1 THR 17 12.567 7.344 3.643 121 HG21 THR 17 HG21 THR 17 13.119 10.175 5.272 122 HG22 THR 17 HG22 THR 17 12.228 11.275 4.221 123 HG23 THR 17 HG23 THR 17 13.657 10.440 3.614 124 H ILE 18 H ILE 18 10.461 7.873 2.199 125 HA ILE 18 HA ILE 18 8.463 6.049 3.362 126 HB ILE 18 HB ILE 18 9.173 6.211 0.441 127 HG12 ILE 18 HG12 ILE 18 8.416 8.421 1.127 128 HG13 ILE 18 HG13 ILE 18 7.170 7.624 0.151 129 HG21 ILE 18 HG21 ILE 18 7.997 4.279 0.636 130 HG22 ILE 18 HG22 ILE 18 7.148 4.812 2.087 131 HG23 ILE 18 HG23 ILE 18 6.639 5.397 0.503 132 HD11 ILE 18 HD11 ILE 18 5.922 7.059 2.155 133 HD12 ILE 18 HD12 ILE 18 7.162 7.821 3.152 134 HD13 ILE 18 HD13 ILE 18 6.197 8.798 2.047 135 H GLU 19 H GLU 19 8.713 3.769 2.977 136 HA GLU 19 HA GLU 19 10.956 2.573 1.818 137 HB2 GLU 19 HB2 GLU 19 12.106 1.832 3.953 138 HB3 GLU 19 HB3 GLU 19 12.350 3.520 3.480 139 HG2 GLU 19 HG2 GLU 19 11.244 4.343 5.265 140 HG3 GLU 19 HG3 GLU 19 10.090 3.002 5.297 141 H ASP 20 H ASP 20 9.089 1.341 1.175 142 HA ASP 20 HA ASP 20 8.457 -0.767 3.120 143 HB2 ASP 20 HB2 ASP 20 6.363 0.265 1.216 144 HB3 ASP 20 HB3 ASP 20 6.149 -0.711 2.677 145 H SER 21 H SER 21 6.874 -2.367 1.600 146 HA SER 21 HA SER 21 6.931 -3.999 0.016 147 HB2 SER 21 HB2 SER 21 7.135 -1.664 -1.375 148 HB3 SER 21 HB3 SER 21 8.613 -2.496 -1.890 149 HG SER 21 HG SER 21 6.366 -2.877 -2.961 150 H TYR 22 H TYR 22 9.238 -3.460 1.929 151 HA TYR 22 HA TYR 22 11.527 -4.556 0.545 152 HB2 TYR 22 HB2 TYR 22 10.979 -3.333 3.161 153 HB3 TYR 22 HB3 TYR 22 12.144 -4.657 3.221 154 HD1 TYR 22 HD1 TYR 22 14.017 -4.566 1.338 155 HD2 TYR 22 HD2 TYR 22 11.812 -1.209 2.739 156 HE1 TYR 22 HE1 TYR 22 15.803 -3.071 0.546 157 HE2 TYR 22 HE2 TYR 22 13.591 0.296 1.950 158 HH TYR 22 HH TYR 22 16.635 -0.933 0.741 159 H SER 23 H SER 23 10.098 -5.594 3.629 160 HA SER 23 HA SER 23 10.824 -8.333 3.080 161 HB2 SER 23 HB2 SER 23 10.308 -6.769 5.399 162 HB3 SER 23 HB3 SER 23 9.145 -8.106 5.391 163 HG SER 23 HG SER 23 11.056 -8.757 6.406 164 H THR 24 H THR 24 8.939 -9.921 4.015 165 HA THR 24 HA THR 24 6.962 -10.962 3.570 166 HB THR 24 HB THR 24 5.771 -8.390 2.580 167 HG1 THR 24 HG1 THR 24 5.333 -7.956 4.856 168 HG21 THR 24 HG21 THR 24 4.193 -9.859 4.458 169 HG22 THR 24 HG22 THR 24 4.798 -10.966 3.225 170 HG23 THR 24 HG23 THR 24 3.872 -9.541 2.753 171 H GLU 25 H GLU 25 7.339 -12.287 1.889 172 HA GLU 25 HA GLU 25 8.120 -11.660 -0.668 173 HB2 GLU 25 HB2 GLU 25 7.519 -13.968 0.660 174 HB3 GLU 25 HB3 GLU 25 6.208 -13.893 -0.529 175 HG2 GLU 25 HG2 GLU 25 7.711 -13.906 -2.352 176 HG3 GLU 25 HG3 GLU 25 9.096 -13.609 -1.293 177 H SER 26 H SER 26 4.766 -12.500 0.217 178 HA SER 26 HA SER 26 3.573 -11.771 -2.172 179 HB2 SER 26 HB2 SER 26 2.215 -11.347 0.492 180 HB3 SER 26 HB3 SER 26 1.501 -11.873 -1.044 181 HG SER 26 HG SER 26 1.963 -13.854 -0.546 182 H ALA 27 H ALA 27 2.879 -9.908 -3.076 183 HA ALA 27 HA ALA 27 3.459 -7.419 -1.609 184 HB1 ALA 27 HB1 ALA 27 3.282 -6.707 -4.261 185 HB2 ALA 27 HB2 ALA 27 4.772 -6.983 -3.358 186 HB3 ALA 27 HB3 ALA 27 4.069 -8.284 -4.319 187 H TRP 28 H TRP 28 2.061 -5.587 -2.040 188 HA TRP 28 HA TRP 28 -0.711 -6.447 -2.485 189 HB2 TRP 28 HB2 TRP 28 0.574 -4.327 -0.821 190 HB3 TRP 28 HB3 TRP 28 -1.043 -4.012 -1.449 191 HD1 TRP 28 HD1 TRP 28 0.593 -5.534 1.449 192 HE1 TRP 28 HE1 TRP 28 -1.062 -6.969 2.800 193 HE3 TRP 28 HE3 TRP 28 -3.196 -5.837 -1.970 194 HZ2 TRP 28 HZ2 TRP 28 -3.634 -8.083 2.461 195 HZ3 TRP 28 HZ3 TRP 28 -5.220 -7.107 -1.378 196 HH2 TRP 28 HH2 TRP 28 -5.431 -8.206 0.791 197 H VAL 29 H VAL 29 -1.797 -5.791 -4.225 198 HA VAL 29 HA VAL 29 -0.758 -3.485 -5.738 199 HB VAL 29 HB VAL 29 -0.251 -5.620 -6.888 200 HG11 VAL 29 HG11 VAL 29 -2.623 -6.506 -5.982 201 HG12 VAL 29 HG12 VAL 29 -3.075 -6.049 -7.625 202 HG13 VAL 29 HG13 VAL 29 -1.779 -7.215 -7.358 203 HG21 VAL 29 HG21 VAL 29 -1.032 -4.946 -9.058 204 HG22 VAL 29 HG22 VAL 29 -2.336 -3.998 -8.343 205 HG23 VAL 29 HG23 VAL 29 -0.660 -3.498 -8.121 206 H ARG 30 H ARG 30 -2.263 -2.135 -6.711 207 HA ARG 30 HA ARG 30 -5.030 -2.499 -5.776 208 HB2 ARG 30 HB2 ARG 30 -3.784 -0.503 -4.929 209 HB3 ARG 30 HB3 ARG 30 -3.679 0.075 -6.598 210 HG2 ARG 30 HG2 ARG 30 -6.365 -0.405 -6.326 211 HG3 ARG 30 HG3 ARG 30 -5.905 0.182 -4.719 212 HD2 ARG 30 HD2 ARG 30 -6.555 2.071 -6.061 213 HD3 ARG 30 HD3 ARG 30 -4.807 2.131 -5.795 214 HE ARG 30 HE ARG 30 -5.512 0.812 -8.238 215 HH11 ARG 30 HH11 ARG 30 -4.972 3.906 -6.736 216 HH12 ARG 30 HH12 ARG 30 -4.565 4.702 -8.219 217 HH21 ARG 30 HH21 ARG 30 -4.976 1.848 -10.198 218 HH22 ARG 30 HH22 ARG 30 -4.568 3.531 -10.189 219 H CYS 31 H CYS 31 -6.742 -2.240 -7.183 220 HA CYS 31 HA CYS 31 -6.186 -2.788 -9.941 221 HB2 CYS 31 HB2 CYS 31 -8.079 -3.851 -8.861 222 HB3 CYS 31 HB3 CYS 31 -8.785 -2.281 -8.481 223 H ASP 32 H ASP 32 -6.483 -1.492 -11.711 224 HA ASP 32 HA ASP 32 -6.599 1.377 -11.167 225 HB2 ASP 32 HB2 ASP 32 -4.894 0.002 -12.724 226 HB3 ASP 32 HB3 ASP 32 -6.141 0.368 -13.924 227 H ASP 33 H ASP 33 -9.019 -0.078 -10.925 228 HA ASP 33 HA ASP 33 -10.603 1.335 -12.927 229 HB2 ASP 33 HB2 ASP 33 -10.197 -1.035 -13.725 230 HB3 ASP 33 HB3 ASP 33 -11.130 -1.577 -12.323 231 H CYS 34 H CYS 34 -10.597 -0.671 -10.007 232 HA CYS 34 HA CYS 34 -12.895 0.894 -9.027 233 HB2 CYS 34 HB2 CYS 34 -13.494 -1.063 -7.641 234 HB3 CYS 34 HB3 CYS 34 -13.548 -1.419 -9.368 235 H PHE 35 H PHE 35 -9.642 0.179 -8.616 236 HA PHE 35 HA PHE 35 -8.101 0.749 -7.044 237 HB2 PHE 35 HB2 PHE 35 -10.314 2.343 -5.731 238 HB3 PHE 35 HB3 PHE 35 -8.575 2.590 -5.563 239 HD1 PHE 35 HD1 PHE 35 -11.454 3.029 -7.782 240 HD2 PHE 35 HD2 PHE 35 -7.286 3.708 -7.254 241 HE1 PHE 35 HE1 PHE 35 -11.479 4.618 -9.659 242 HE2 PHE 35 HE2 PHE 35 -7.304 5.299 -9.130 243 HZ PHE 35 HZ PHE 35 -9.403 5.758 -10.335 244 H LYS 36 H LYS 36 -8.901 -1.681 -6.632 245 HA LYS 36 HA LYS 36 -9.597 -1.882 -3.776 246 HB2 LYS 36 HB2 LYS 36 -10.269 -3.561 -6.149 247 HB3 LYS 36 HB3 LYS 36 -10.054 -4.372 -4.590 248 HG2 LYS 36 HG2 LYS 36 -11.701 -2.135 -4.103 249 HG3 LYS 36 HG3 LYS 36 -12.311 -2.923 -5.569 250 HD2 LYS 36 HD2 LYS 36 -11.795 -4.264 -2.904 251 HD3 LYS 36 HD3 LYS 36 -13.379 -3.850 -3.584 252 HE2 LYS 36 HE2 LYS 36 -12.039 -5.336 -5.574 253 HE3 LYS 36 HE3 LYS 36 -11.760 -6.177 -4.041 254 HZ1 LYS 36 HZ1 LYS 36 -14.208 -5.851 -5.543 255 HZ2 LYS 36 HZ2 LYS 36 -14.376 -5.613 -3.877 256 HZ3 LYS 36 HZ3 LYS 36 -13.753 -7.073 -4.465 257 H TRP 37 H TRP 37 -8.394 -3.231 -2.445 258 HA TRP 37 HA TRP 37 -5.654 -3.583 -3.222 259 HB2 TRP 37 HB2 TRP 37 -7.248 -3.926 -0.720 260 HB3 TRP 37 HB3 TRP 37 -5.719 -4.798 -0.845 261 HD1 TRP 37 HD1 TRP 37 -6.780 -1.852 0.726 262 HE1 TRP 37 HE1 TRP 37 -4.969 -0.025 0.816 263 HE3 TRP 37 HE3 TRP 37 -3.623 -3.659 -2.867 264 HZ2 TRP 37 HZ2 TRP 37 -2.527 0.572 -0.466 265 HZ3 TRP 37 HZ3 TRP 37 -1.572 -2.399 -3.375 266 HH2 TRP 37 HH2 TRP 37 -1.036 -0.328 -2.199 267 H ARG 38 H ARG 38 -4.561 -5.444 -3.663 268 HA ARG 38 HA ARG 38 -6.005 -7.986 -3.520 269 HB2 ARG 38 HB2 ARG 38 -6.220 -6.912 -5.824 270 HB3 ARG 38 HB3 ARG 38 -4.482 -7.196 -5.997 271 HG2 ARG 38 HG2 ARG 38 -5.714 -8.967 -7.083 272 HG3 ARG 38 HG3 ARG 38 -4.850 -9.601 -5.672 273 HD2 ARG 38 HD2 ARG 38 -6.769 -10.427 -4.901 274 HD3 ARG 38 HD3 ARG 38 -7.368 -8.770 -4.739 275 HE ARG 38 HE ARG 38 -8.005 -10.654 -6.847 276 HH11 ARG 38 HH11 ARG 38 -8.069 -7.346 -5.761 277 HH12 ARG 38 HH12 ARG 38 -9.341 -6.879 -6.841 278 HH21 ARG 38 HH21 ARG 38 -9.680 -10.052 -8.273 279 HH22 ARG 38 HH22 ARG 38 -10.257 -8.420 -8.268 280 H ARG 39 H ARG 39 -4.781 -9.489 -2.600 281 HA ARG 39 HA ARG 39 -1.945 -8.991 -2.222 282 HB2 ARG 39 HB2 ARG 39 -3.658 -9.869 -0.463 283 HB3 ARG 39 HB3 ARG 39 -3.378 -11.436 -1.239 284 HG2 ARG 39 HG2 ARG 39 -0.821 -10.523 -0.838 285 HG3 ARG 39 HG3 ARG 39 -1.685 -9.926 0.589 286 HD2 ARG 39 HD2 ARG 39 -2.647 -12.321 0.755 287 HD3 ARG 39 HD3 ARG 39 -1.327 -12.752 -0.342 288 HE ARG 39 HE ARG 39 -0.340 -11.275 1.864 289 HH11 ARG 39 HH11 ARG 39 -1.537 -14.421 0.972 290 HH12 ARG 39 HH12 ARG 39 -0.646 -15.253 2.204 291 HH21 ARG 39 HH21 ARG 39 0.838 -12.359 3.489 292 HH22 ARG 39 HH22 ARG 39 0.704 -14.079 3.635 293 H ILE 40 H ILE 40 -0.535 -9.656 -3.690 294 HA ILE 40 HA ILE 40 -1.034 -12.218 -5.058 295 HB ILE 40 HB ILE 40 -0.091 -11.403 -7.073 296 HG12 ILE 40 HG12 ILE 40 0.643 -8.935 -5.482 297 HG13 ILE 40 HG13 ILE 40 1.755 -10.111 -6.203 298 HG21 ILE 40 HG21 ILE 40 -2.440 -10.510 -6.158 299 HG22 ILE 40 HG22 ILE 40 -1.625 -8.967 -6.408 300 HG23 ILE 40 HG23 ILE 40 -1.810 -10.093 -7.752 301 HD11 ILE 40 HD11 ILE 40 0.674 -9.420 -8.442 302 HD12 ILE 40 HD12 ILE 40 0.135 -7.999 -7.549 303 HD13 ILE 40 HD13 ILE 40 1.857 -8.352 -7.688 304 HA PRO 41 HA PRO 41 2.889 -13.586 -3.638 305 HB2 PRO 41 HB2 PRO 41 3.629 -15.254 -5.681 306 HB3 PRO 41 HB3 PRO 41 2.355 -15.638 -4.523 307 HG2 PRO 41 HG2 PRO 41 2.130 -14.491 -7.287 308 HG3 PRO 41 HG3 PRO 41 1.173 -15.813 -6.519 309 HD2 PRO 41 HD2 PRO 41 0.234 -13.278 -6.768 310 HD3 PRO 41 HD3 PRO 41 -0.171 -14.317 -5.391 311 H ALA 42 H ALA 42 5.139 -13.374 -3.944 312 HA ALA 42 HA ALA 42 5.952 -11.080 -5.388 313 HB1 ALA 42 HB1 ALA 42 7.953 -11.301 -4.326 314 HB2 ALA 42 HB2 ALA 42 6.966 -12.314 -3.272 315 HB3 ALA 42 HB3 ALA 42 7.985 -13.055 -4.507 316 H SER 43 H SER 43 5.459 -14.274 -6.363 317 HA SER 43 HA SER 43 7.491 -14.396 -8.388 318 HB2 SER 43 HB2 SER 43 6.877 -16.529 -7.731 319 HB3 SER 43 HB3 SER 43 5.163 -16.099 -7.590 320 HG SER 43 HG SER 43 5.807 -17.441 -9.457 321 H VAL 44 H VAL 44 4.083 -13.526 -8.256 322 HA VAL 44 HA VAL 44 4.003 -13.072 -11.135 323 HB VAL 44 HB VAL 44 2.082 -14.138 -9.877 324 HG11 VAL 44 HG11 VAL 44 0.544 -12.671 -8.697 325 HG12 VAL 44 HG12 VAL 44 2.133 -12.643 -7.930 326 HG13 VAL 44 HG13 VAL 44 1.625 -11.301 -8.955 327 HG21 VAL 44 HG21 VAL 44 1.194 -13.595 -11.853 328 HG22 VAL 44 HG22 VAL 44 0.492 -12.203 -11.028 329 HG23 VAL 44 HG23 VAL 44 2.020 -12.037 -11.893 330 H VAL 45 H VAL 45 4.178 -11.307 -8.134 331 HA VAL 45 HA VAL 45 3.356 -8.777 -8.939 332 HB VAL 45 HB VAL 45 4.129 -9.654 -6.601 333 HG11 VAL 45 HG11 VAL 45 6.659 -8.247 -7.398 334 HG12 VAL 45 HG12 VAL 45 6.335 -9.199 -5.948 335 HG13 VAL 45 HG13 VAL 45 6.490 -9.998 -7.513 336 HG21 VAL 45 HG21 VAL 45 4.970 -7.045 -6.324 337 HG22 VAL 45 HG22 VAL 45 3.968 -6.994 -7.775 338 HG23 VAL 45 HG23 VAL 45 3.300 -7.606 -6.261 339 H GLY 46 H GLY 46 6.245 -10.531 -9.710 340 HA2 GLY 46 HA2 GLY 46 7.515 -8.117 -10.797 341 HA3 GLY 46 HA3 GLY 46 8.378 -9.422 -10.600 342 H SER 47 H SER 47 5.168 -9.631 -12.005 343 HA SER 47 HA SER 47 6.336 -9.847 -14.688 344 HB2 SER 47 HB2 SER 47 4.996 -11.968 -13.148 345 HB3 SER 47 HB3 SER 47 4.339 -11.732 -14.777 346 HG SER 47 HG SER 47 6.236 -13.213 -14.466 347 H ILE 48 H ILE 48 3.425 -9.509 -12.715 348 HA ILE 48 HA ILE 48 1.770 -8.675 -14.898 349 HB ILE 48 HB ILE 48 0.130 -8.063 -13.162 350 HG12 ILE 48 HG12 ILE 48 1.029 -9.038 -10.798 351 HG13 ILE 48 HG13 ILE 48 2.523 -8.341 -11.445 352 HG21 ILE 48 HG21 ILE 48 -0.215 -10.243 -13.701 353 HG22 ILE 48 HG22 ILE 48 1.427 -10.723 -13.280 354 HG23 ILE 48 HG23 ILE 48 0.235 -10.456 -12.008 355 HD11 ILE 48 HD11 ILE 48 0.229 -7.016 -10.302 356 HD12 ILE 48 HD12 ILE 48 1.850 -6.400 -10.623 357 HD13 ILE 48 HD13 ILE 48 0.630 -6.378 -11.895 358 H ASP 49 H ASP 49 4.140 -7.145 -13.034 359 HA ASP 49 HA ASP 49 3.006 -4.477 -13.383 360 HB2 ASP 49 HB2 ASP 49 4.509 -5.573 -11.368 361 HB3 ASP 49 HB3 ASP 49 5.729 -4.692 -12.297 362 H GLU 50 H GLU 50 3.642 -5.858 -15.755 363 HA GLU 50 HA GLU 50 6.093 -4.541 -16.692 364 HB2 GLU 50 HB2 GLU 50 6.118 -6.078 -18.520 365 HB3 GLU 50 HB3 GLU 50 5.822 -7.009 -17.043 366 HG2 GLU 50 HG2 GLU 50 4.211 -7.968 -18.275 367 HG3 GLU 50 HG3 GLU 50 3.289 -6.536 -17.793 368 H SER 51 H SER 51 2.720 -4.283 -16.770 369 HA SER 51 HA SER 51 2.748 -2.716 -19.251 370 HB2 SER 51 HB2 SER 51 1.019 -4.608 -18.685 371 HB3 SER 51 HB3 SER 51 0.245 -3.338 -17.719 372 HG SER 51 HG SER 51 0.871 -3.154 -20.484 373 H SER 52 H SER 52 3.412 -2.125 -16.187 374 HA SER 52 HA SER 52 3.453 -0.264 -14.878 375 HB2 SER 52 HB2 SER 52 3.864 0.738 -17.269 376 HB3 SER 52 HB3 SER 52 2.222 1.373 -17.069 377 HG SER 52 HG SER 52 3.847 2.827 -16.315 378 H ARG 53 H ARG 53 1.003 -1.966 -15.230 379 HA ARG 53 HA ARG 53 -0.712 -0.443 -13.527 380 HB2 ARG 53 HB2 ARG 53 -2.610 -0.181 -14.897 381 HB3 ARG 53 HB3 ARG 53 -1.248 0.391 -15.873 382 HG2 ARG 53 HG2 ARG 53 -1.407 -2.296 -16.511 383 HG3 ARG 53 HG3 ARG 53 -3.098 -1.786 -16.364 384 HD2 ARG 53 HD2 ARG 53 -1.918 0.295 -17.767 385 HD3 ARG 53 HD3 ARG 53 -1.134 -1.152 -18.412 386 HE ARG 53 HE ARG 53 -3.864 -0.358 -18.790 387 HH11 ARG 53 HH11 ARG 53 -1.666 -3.056 -18.711 388 HH12 ARG 53 HH12 ARG 53 -2.648 -4.055 -19.729 389 HH21 ARG 53 HH21 ARG 53 -5.168 -1.664 -20.131 390 HH22 ARG 53 HH22 ARG 53 -4.641 -3.262 -20.537 391 H TRP 54 H TRP 54 -2.876 -1.726 -13.232 392 HA TRP 54 HA TRP 54 -2.827 -4.521 -13.773 393 HB2 TRP 54 HB2 TRP 54 -1.084 -4.475 -12.048 394 HB3 TRP 54 HB3 TRP 54 -2.185 -3.645 -10.948 395 HD1 TRP 54 HD1 TRP 54 -1.313 -7.095 -12.206 396 HE1 TRP 54 HE1 TRP 54 -2.722 -8.845 -10.950 397 HE3 TRP 54 HE3 TRP 54 -4.574 -3.956 -9.832 398 HZ2 TRP 54 HZ2 TRP 54 -4.925 -8.887 -9.185 399 HZ3 TRP 54 HZ3 TRP 54 -6.302 -4.930 -8.377 400 HH2 TRP 54 HH2 TRP 54 -6.473 -7.346 -8.063 401 H ILE 55 H ILE 55 -4.747 -5.563 -13.167 402 HA ILE 55 HA ILE 55 -6.750 -3.988 -11.736 403 HB ILE 55 HB ILE 55 -8.441 -4.698 -13.529 404 HG12 ILE 55 HG12 ILE 55 -5.848 -4.947 -15.073 405 HG13 ILE 55 HG13 ILE 55 -7.031 -6.233 -14.774 406 HG21 ILE 55 HG21 ILE 55 -6.437 -2.626 -14.390 407 HG22 ILE 55 HG22 ILE 55 -8.174 -2.655 -14.695 408 HG23 ILE 55 HG23 ILE 55 -7.571 -2.378 -13.061 409 HD11 ILE 55 HD11 ILE 55 -7.788 -5.717 -16.810 410 HD12 ILE 55 HD12 ILE 55 -8.581 -4.370 -15.993 411 HD13 ILE 55 HD13 ILE 55 -7.031 -4.124 -16.798 412 H CYS 56 H CYS 56 -8.884 -5.410 -11.683 413 HA CYS 56 HA CYS 56 -8.241 -7.728 -10.203 414 HB2 CYS 56 HB2 CYS 56 -10.905 -6.922 -11.402 415 HB3 CYS 56 HB3 CYS 56 -10.664 -8.111 -10.121 416 H MET 57 H MET 57 -9.800 -7.358 -13.388 417 HA MET 57 HA MET 57 -9.992 -10.084 -13.985 418 HB2 MET 57 HB2 MET 57 -10.099 -9.324 -16.379 419 HB3 MET 57 HB3 MET 57 -11.240 -8.520 -15.291 420 HG2 MET 57 HG2 MET 57 -8.958 -6.913 -15.237 421 HG3 MET 57 HG3 MET 57 -9.151 -7.393 -16.924 422 HE1 MET 57 HE1 MET 57 -11.981 -4.813 -14.421 423 HE2 MET 57 HE2 MET 57 -11.988 -6.547 -14.093 424 HE3 MET 57 HE3 MET 57 -10.501 -5.617 -13.896 425 H ASN 58 H ASN 58 -7.268 -8.020 -13.885 426 HA ASN 58 HA ASN 58 -5.657 -9.618 -15.684 427 HB2 ASN 58 HB2 ASN 58 -5.315 -7.091 -14.155 428 HB3 ASN 58 HB3 ASN 58 -3.850 -8.025 -14.482 429 HD21 ASN 58 HD21 ASN 58 -6.750 -7.645 -16.459 430 HD22 ASN 58 HD22 ASN 58 -5.947 -6.934 -17.815 431 H ASN 59 H ASN 59 -6.660 -9.883 -12.515 432 HA ASN 59 HA ASN 59 -4.422 -10.719 -11.103 433 HB2 ASN 59 HB2 ASN 59 -6.815 -10.352 -10.264 434 HB3 ASN 59 HB3 ASN 59 -7.132 -12.007 -10.802 435 HD21 ASN 59 HD21 ASN 59 -7.638 -12.134 -8.436 436 HD22 ASN 59 HD22 ASN 59 -6.346 -12.585 -7.381 437 H SER 60 H SER 60 -3.746 -12.890 -10.504 438 HA SER 60 HA SER 60 -3.467 -14.562 -12.831 439 HB2 SER 60 HB2 SER 60 -1.488 -14.754 -11.745 440 HB3 SER 60 HB3 SER 60 -2.209 -14.345 -10.177 441 HG SER 60 HG SER 60 -2.138 -16.858 -11.470 442 H ASP 61 H ASP 61 -5.322 -14.580 -9.880 443 HA ASP 61 HA ASP 61 -6.082 -17.311 -9.925 444 HB2 ASP 61 HB2 ASP 61 -6.355 -15.280 -8.128 445 HB3 ASP 61 HB3 ASP 61 -8.001 -15.389 -8.768 446 H LYS 62 H LYS 62 -8.670 -17.653 -9.911 447 HA LYS 62 HA LYS 62 -9.652 -16.581 -12.476 448 HB2 LYS 62 HB2 LYS 62 -10.810 -18.765 -12.802 449 HB3 LYS 62 HB3 LYS 62 -9.044 -18.885 -12.814 450 HG2 LYS 62 HG2 LYS 62 -9.284 -20.559 -11.369 451 HG3 LYS 62 HG3 LYS 62 -9.667 -19.308 -10.171 452 HD2 LYS 62 HD2 LYS 62 -12.087 -19.495 -10.978 453 HD3 LYS 62 HD3 LYS 62 -11.568 -20.984 -11.788 454 HE2 LYS 62 HE2 LYS 62 -11.191 -20.453 -8.834 455 HE3 LYS 62 HE3 LYS 62 -12.570 -21.325 -9.520 456 HZ1 LYS 62 HZ1 LYS 62 -11.141 -23.022 -8.984 457 HZ2 LYS 62 HZ2 LYS 62 -9.749 -22.148 -9.380 458 HZ3 LYS 62 HZ3 LYS 62 -10.735 -22.769 -10.607 459 H ARG 63 H ARG 63 -10.444 -17.680 -9.235 460 HA ARG 63 HA ARG 63 -13.237 -16.941 -9.534 461 HB2 ARG 63 HB2 ARG 63 -11.899 -18.794 -7.974 462 HB3 ARG 63 HB3 ARG 63 -12.322 -17.517 -6.822 463 HG2 ARG 63 HG2 ARG 63 -14.073 -19.139 -6.804 464 HG3 ARG 63 HG3 ARG 63 -14.678 -17.674 -7.599 465 HD2 ARG 63 HD2 ARG 63 -13.740 -18.984 -9.756 466 HD3 ARG 63 HD3 ARG 63 -14.148 -20.358 -8.717 467 HE ARG 63 HE ARG 63 -15.980 -18.598 -10.039 468 HH11 ARG 63 HH11 ARG 63 -15.542 -20.694 -7.295 469 HH12 ARG 63 HH12 ARG 63 -17.235 -21.007 -7.099 470 HH21 ARG 63 HH21 ARG 63 -18.211 -19.002 -9.792 471 HH22 ARG 63 HH22 ARG 63 -18.752 -20.045 -8.520 472 H PHE 64 H PHE 64 -10.343 -15.423 -8.720 473 HA PHE 64 HA PHE 64 -11.820 -13.200 -7.478 474 HB2 PHE 64 HB2 PHE 64 -9.234 -14.477 -6.642 475 HB3 PHE 64 HB3 PHE 64 -9.505 -12.763 -6.322 476 HD1 PHE 64 HD2 PHE 64 -11.395 -15.964 -5.959 477 HD2 PHE 64 HD1 PHE 64 -10.321 -12.213 -4.259 478 HE1 PHE 64 HE2 PHE 64 -12.670 -16.522 -3.930 479 HE2 PHE 64 HE1 PHE 64 -11.593 -12.766 -2.226 480 HZ PHE 64 HZ PHE 64 -12.771 -14.922 -2.060 481 H ALA 65 H ALA 65 -11.138 -13.640 -10.259 482 HA ALA 65 HA ALA 65 -9.250 -11.412 -10.677 483 HB1 ALA 65 HB1 ALA 65 -9.849 -13.589 -12.668 484 HB2 ALA 65 HB2 ALA 65 -8.561 -12.384 -12.730 485 HB3 ALA 65 HB3 ALA 65 -8.513 -13.664 -11.518 486 H ASP 66 H ASP 66 -11.318 -10.169 -10.278 487 HA ASP 66 HA ASP 66 -12.264 -9.111 -12.699 488 HB2 ASP 66 HB2 ASP 66 -13.808 -11.348 -11.578 489 HB3 ASP 66 HB3 ASP 66 -14.770 -9.898 -11.894 490 H CYS 67 H CYS 67 -13.581 -7.271 -12.404 491 HA CYS 67 HA CYS 67 -13.216 -5.964 -9.906 492 HB2 CYS 67 HB2 CYS 67 -14.528 -5.291 -12.507 493 HB3 CYS 67 HB3 CYS 67 -14.911 -4.304 -11.095 494 H SER 68 H SER 68 -15.554 -8.125 -11.024 495 HA SER 68 HA SER 68 -17.741 -7.097 -9.437 496 HB2 SER 68 HB2 SER 68 -17.425 -8.997 -11.571 497 HB3 SER 68 HB3 SER 68 -18.258 -9.774 -10.213 498 HG SER 68 HG SER 68 -19.856 -8.805 -11.335 499 H LYS 69 H LYS 69 -15.525 -9.863 -9.328 500 HA LYS 69 HA LYS 69 -16.480 -11.241 -7.164 501 HB2 LYS 69 HB2 LYS 69 -14.316 -12.159 -6.877 502 HB3 LYS 69 HB3 LYS 69 -14.467 -11.796 -8.604 503 HG2 LYS 69 HG2 LYS 69 -12.473 -10.814 -8.388 504 HG3 LYS 69 HG3 LYS 69 -13.379 -9.486 -7.642 505 HD2 LYS 69 HD2 LYS 69 -13.036 -11.242 -5.542 506 HD3 LYS 69 HD3 LYS 69 -11.516 -11.383 -6.442 507 HE2 LYS 69 HE2 LYS 69 -11.585 -8.773 -6.465 508 HE3 LYS 69 HE3 LYS 69 -12.712 -8.983 -5.116 509 HZ1 LYS 69 HZ1 LYS 69 -11.073 -10.095 -3.854 510 HZ2 LYS 69 HZ2 LYS 69 -10.325 -8.715 -4.483 511 HZ3 LYS 69 HZ3 LYS 69 -10.024 -10.229 -5.174 512 H SER 70 H SER 70 -16.228 -11.157 -4.938 513 HA SER 70 HA SER 70 -16.121 -8.550 -3.801 514 HB2 SER 70 HB2 SER 70 -15.825 -10.845 -1.961 515 HB3 SER 70 HB3 SER 70 -17.008 -9.524 -1.953 516 HG SER 70 HG SER 70 -18.253 -11.156 -2.552 517 H GLN 71 H GLN 71 -14.558 -7.572 -2.579 518 HA GLN 71 HA GLN 71 -11.902 -7.949 -3.145 519 HB2 GLN 71 HB2 GLN 71 -12.903 -5.946 -2.043 520 HB3 GLN 71 HB3 GLN 71 -12.971 -6.869 -0.533 521 HG2 GLN 71 HG2 GLN 71 -10.603 -7.008 -0.394 522 HG3 GLN 71 HG3 GLN 71 -10.417 -6.373 -2.034 523 HE21 GLN 71 HE21 GLN 71 -8.993 -5.138 -0.205 524 HE22 GLN 71 HE22 GLN 71 -9.663 -3.603 0.214 525 H GLU 72 H GLU 72 -10.141 -8.897 -2.078 526 HA GLU 72 HA GLU 72 -10.600 -11.456 -1.007 527 HB2 GLU 72 HB2 GLU 72 -8.074 -9.817 -0.720 528 HB3 GLU 72 HB3 GLU 72 -8.220 -11.580 -0.671 529 HG2 GLU 72 HG2 GLU 72 -9.318 -10.869 -3.125 530 HG3 GLU 72 HG3 GLU 72 -7.909 -9.816 -2.935 531 H MET 73 H MET 73 -9.179 -8.612 0.618 532 HA MET 73 HA MET 73 -10.346 -9.598 3.137 533 HB2 MET 73 HB2 MET 73 -7.649 -8.306 2.679 534 HB3 MET 73 HB3 MET 73 -8.366 -8.551 4.279 535 HG2 MET 73 HG2 MET 73 -8.531 -11.041 3.559 536 HG3 MET 73 HG3 MET 73 -7.331 -10.580 2.349 537 HE1 MET 73 HE1 MET 73 -5.738 -8.609 3.278 538 HE2 MET 73 HE2 MET 73 -5.747 -8.266 5.007 539 HE3 MET 73 HE3 MET 73 -4.437 -9.214 4.303 540 H SER 74 H SER 74 -10.550 -7.838 4.806 541 HA SER 74 HA SER 74 -11.903 -5.594 3.596 542 HB2 SER 74 HB2 SER 74 -11.523 -6.474 6.468 543 HB3 SER 74 HB3 SER 74 -12.395 -4.999 6.014 544 HG SER 74 HG SER 74 -13.767 -6.854 6.283 545 H ASN 75 H ASN 75 -11.518 -3.367 4.289 546 HA ASN 75 HA ASN 75 -8.952 -2.483 3.803 547 HB2 ASN 75 HB2 ASN 75 -11.459 -1.319 4.573 548 HB3 ASN 75 HB3 ASN 75 -10.163 -0.568 5.512 549 HD21 ASN 75 HD21 ASN 75 -10.137 -1.841 2.214 550 HD22 ASN 75 HD22 ASN 75 -9.696 -0.351 1.456 551 H GLU 76 H GLU 76 -10.522 -3.012 6.943 552 HA GLU 76 HA GLU 76 -8.520 -2.077 8.612 553 HB2 GLU 76 HB2 GLU 76 -9.411 -3.727 10.287 554 HB3 GLU 76 HB3 GLU 76 -10.629 -2.674 9.551 555 HG2 GLU 76 HG2 GLU 76 -11.131 -4.540 7.938 556 HG3 GLU 76 HG3 GLU 76 -10.096 -5.567 8.940 557 H GLU 77 H GLU 77 -8.941 -5.358 7.305 558 HA GLU 77 HA GLU 77 -6.729 -6.538 8.528 559 HB2 GLU 77 HB2 GLU 77 -7.991 -7.148 5.845 560 HB3 GLU 77 HB3 GLU 77 -6.838 -8.199 6.682 561 HG2 GLU 77 HG2 GLU 77 -8.516 -8.142 8.638 562 HG3 GLU 77 HG3 GLU 77 -9.659 -7.543 7.427 563 H ILE 78 H ILE 78 -6.968 -5.182 5.237 564 HA ILE 78 HA ILE 78 -4.287 -5.503 4.533 565 HB ILE 78 HB ILE 78 -6.153 -3.312 3.618 566 HG12 ILE 78 HG12 ILE 78 -5.596 -5.812 2.068 567 HG13 ILE 78 HG13 ILE 78 -6.772 -5.869 3.392 568 HG21 ILE 78 HG21 ILE 78 -3.504 -4.299 2.658 569 HG22 ILE 78 HG22 ILE 78 -4.660 -3.620 1.513 570 HG23 ILE 78 HG23 ILE 78 -4.078 -2.644 2.862 571 HD11 ILE 78 HD11 ILE 78 -8.332 -4.811 2.211 572 HD12 ILE 78 HD12 ILE 78 -7.189 -3.620 1.590 573 HD13 ILE 78 HD13 ILE 78 -7.335 -5.194 0.809 574 H ASN 79 H ASN 79 -5.902 -2.930 6.307 575 HA ASN 79 HA ASN 79 -3.794 -1.063 6.283 576 HB2 ASN 79 HB2 ASN 79 -5.429 0.143 7.209 577 HB3 ASN 79 HB3 ASN 79 -6.371 -1.320 7.523 578 HD21 ASN 79 HD21 ASN 79 -6.786 -1.781 9.555 579 HD22 ASN 79 HD22 ASN 79 -5.913 -1.200 10.929 580 H GLU 80 H GLU 80 -4.666 -3.598 8.611 581 HA GLU 80 HA GLU 80 -2.507 -3.031 10.384 582 HB2 GLU 80 HB2 GLU 80 -3.355 -4.672 11.712 583 HB3 GLU 80 HB3 GLU 80 -4.778 -4.393 10.698 584 HG2 GLU 80 HG2 GLU 80 -4.678 -6.663 10.599 585 HG3 GLU 80 HG3 GLU 80 -3.677 -6.247 9.200 586 H GLU 81 H GLU 81 -2.875 -4.962 7.526 587 HA GLU 81 HA GLU 81 -0.634 -6.662 7.925 588 HB2 GLU 81 HB2 GLU 81 -2.444 -7.211 6.360 589 HB3 GLU 81 HB3 GLU 81 -1.990 -5.829 5.355 590 HG2 GLU 81 HG2 GLU 81 -1.174 -7.972 4.460 591 HG3 GLU 81 HG3 GLU 81 0.126 -6.829 4.826 592 H LEU 82 H LEU 82 -1.087 -3.749 5.923 593 HA LEU 82 HA LEU 82 1.712 -3.589 5.296 594 HB2 LEU 82 HB2 LEU 82 -0.453 -1.516 4.900 595 HB3 LEU 82 HB3 LEU 82 1.142 -1.549 4.128 596 HG LEU 82 HG LEU 82 -0.522 -3.927 3.643 597 HD11 LEU 82 HD11 LEU 82 -2.228 -2.160 3.620 598 HD12 LEU 82 HD12 LEU 82 -1.951 -2.843 2.017 599 HD13 LEU 82 HD13 LEU 82 -1.271 -1.269 2.435 600 HD21 LEU 82 HD21 LEU 82 1.372 -3.941 2.364 601 HD22 LEU 82 HD22 LEU 82 1.406 -2.186 2.196 602 HD23 LEU 82 HD23 LEU 82 0.260 -3.140 1.253 603 H GLY 83 H GLY 83 -0.437 -2.211 7.671 604 HA2 GLY 83 HA2 GLY 83 0.226 -1.275 9.714 605 HA3 GLY 83 HA3 GLY 83 1.813 -1.334 9.251 606 H ILE 84 H ILE 84 -0.971 0.035 7.378 607 HA ILE 84 HA ILE 84 0.042 2.775 7.703 608 HB ILE 84 HB ILE 84 -1.211 3.336 5.680 609 HG12 ILE 84 HG12 ILE 84 -1.870 0.384 5.535 610 HG13 ILE 84 HG13 ILE 84 -3.018 1.644 6.017 611 HG21 ILE 84 HG21 ILE 84 1.148 2.260 5.712 612 HG22 ILE 84 HG22 ILE 84 0.334 0.870 4.997 613 HG23 ILE 84 HG23 ILE 84 0.298 2.431 4.177 614 HD11 ILE 84 HD11 ILE 84 -2.954 0.753 3.555 615 HD12 ILE 84 HD12 ILE 84 -3.244 2.459 3.898 616 HD13 ILE 84 HD13 ILE 84 -1.641 1.921 3.400 617 H GLY 85 H GLY 85 -2.022 4.337 7.129 618 HA2 GLY 85 HA2 GLY 85 -4.035 3.643 9.180 619 HA3 GLY 85 HA3 GLY 85 -3.455 5.277 8.897 620 H GLN 86 H GLN 86 -4.901 2.609 7.021 621 HA GLN 86 HA GLN 86 -5.992 4.118 4.980 622 HB2 GLN 86 HB2 GLN 86 -6.428 1.452 6.116 623 HB3 GLN 86 HB3 GLN 86 -7.866 2.132 5.339 624 HG2 GLN 86 HG2 GLN 86 -6.822 2.291 3.248 625 HG3 GLN 86 HG3 GLN 86 -5.212 2.101 3.953 626 HE21 GLN 86 HE21 GLN 86 -4.649 0.377 2.671 627 HE22 GLN 86 HE22 GLN 86 -5.356 -1.191 2.841 628 H ASP 87 H ASP 87 -8.423 4.387 4.605 629 HA ASP 87 HA ASP 87 -9.432 6.082 6.708 630 HB2 ASP 87 HB2 ASP 87 -9.573 6.562 4.206 631 HB3 ASP 87 HB3 ASP 87 -10.859 5.347 4.153 632 H GLU 88 H GLU 88 -9.417 3.894 8.020 633 HA GLU 88 HA GLU 88 -11.758 2.256 7.628 634 HB2 GLU 88 HB2 GLU 88 -11.011 0.993 9.518 635 HB3 GLU 88 HB3 GLU 88 -9.593 1.382 8.533 636 HG2 GLU 88 HG2 GLU 88 -8.997 3.191 10.051 637 HG3 GLU 88 HG3 GLU 88 -10.429 2.841 11.029 638 H ALA 89 H ALA 89 -10.808 4.955 9.635 639 HA ALA 89 HA ALA 89 -11.978 6.316 11.034 640 HB1 ALA 89 HB1 ALA 89 -14.669 5.630 10.613 641 HB2 ALA 89 HB2 ALA 89 -13.775 6.980 9.916 642 HB3 ALA 89 HB3 ALA 89 -13.858 5.441 9.058 643 H ASP 90 H ASP 90 -11.248 5.293 12.917 644 HA ASP 90 HA ASP 90 -13.275 4.276 14.610 645 HB2 ASP 90 HB2 ASP 90 -11.785 2.331 13.055 646 HB3 ASP 90 HB3 ASP 90 -11.528 2.094 14.788 647 H ALA 91 H ALA 91 -9.825 3.430 14.419 648 HA ALA 91 HA ALA 91 -9.426 4.451 17.105 649 HB1 ALA 91 HB1 ALA 91 -8.408 2.340 16.578 650 HB2 ALA 91 HB2 ALA 91 -7.563 3.043 15.199 651 HB3 ALA 91 HB3 ALA 91 -7.135 3.532 16.838 652 H TYR 92 H TYR 92 -9.543 6.673 16.964 653 HA TYR 92 HA TYR 92 -7.243 7.955 15.690 654 HB2 TYR 92 HB2 TYR 92 -10.119 8.459 15.078 655 HB3 TYR 92 HB3 TYR 92 -9.044 9.856 15.155 656 HD1 TYR 92 HD2 TYR 92 -9.290 6.498 13.548 657 HD2 TYR 92 HD1 TYR 92 -7.827 10.484 13.282 658 HE1 TYR 92 HE2 TYR 92 -8.522 6.056 11.253 659 HE2 TYR 92 HE1 TYR 92 -7.056 10.055 10.986 660 HH TYR 92 HH TYR 92 -6.678 7.065 9.704 661 H ASP 93 H ASP 93 -6.994 10.246 16.438 662 HA ASP 93 HA ASP 93 -6.590 11.666 18.174 663 HB2 ASP 93 HB2 ASP 93 -9.176 11.802 17.723 664 HB3 ASP 93 HB3 ASP 93 -9.287 11.015 19.304 665 H CYS 94 H CYS 94 -5.087 9.872 18.873 666 HA CYS 94 HA CYS 94 -5.418 9.459 21.689 667 HB2 CYS 94 HB2 CYS 94 -6.692 7.559 20.413 668 HB3 CYS 94 HB3 CYS 94 -5.071 6.916 20.139 669 H ASP 95 H ASP 95 -3.498 8.624 22.703 670 HA ASP 95 HA ASP 95 -1.142 8.257 21.046 671 HB2 ASP 95 HB2 ASP 95 0.147 10.032 22.018 672 HB3 ASP 95 HB3 ASP 95 -1.357 10.731 21.403 673 H ALA 96 H ALA 96 -2.686 6.623 22.886 674 HA ALA 96 HA ALA 96 -1.268 6.399 25.354 675 HB1 ALA 96 HB1 ALA 96 -3.550 5.143 24.095 676 HB2 ALA 96 HB2 ALA 96 -2.530 3.965 24.924 677 HB3 ALA 96 HB3 ALA 96 -3.177 5.349 25.807 678 H ALA 97 H ALA 97 -0.841 5.126 22.162 679 HA ALA 97 HA ALA 97 0.800 2.905 22.865 680 HB1 ALA 97 HB1 ALA 97 0.295 2.446 20.750 681 HB2 ALA 97 HB2 ALA 97 -0.214 4.108 20.449 682 HB3 ALA 97 HB3 ALA 97 1.483 3.658 20.271 683 H LYS 98 H LYS 98 1.365 6.297 22.365 684 HA LYS 98 HA LYS 98 3.222 7.604 22.513 685 HB2 LYS 98 HB2 LYS 98 3.776 5.317 24.345 686 HB3 LYS 98 HB3 LYS 98 5.108 6.423 23.975 687 HG2 LYS 98 HG2 LYS 98 2.429 7.329 25.023 688 HG3 LYS 98 HG3 LYS 98 3.828 6.967 26.049 689 HD2 LYS 98 HD2 LYS 98 5.080 8.756 25.200 690 HD3 LYS 98 HD3 LYS 98 4.038 8.913 23.775 691 HE2 LYS 98 HE2 LYS 98 2.209 9.743 25.146 692 HE3 LYS 98 HE3 LYS 98 3.176 9.495 26.607 693 HZ1 LYS 98 HZ1 LYS 98 4.750 11.145 25.816 694 HZ2 LYS 98 HZ2 LYS 98 3.197 11.808 25.911 695 HZ3 LYS 98 HZ3 LYS 98 3.841 11.378 24.408 696 H ARG 99 H ARG 99 5.806 7.432 22.319 697 HA ARG 99 HA ARG 99 6.269 6.461 19.678 698 HB2 ARG 99 HB2 ARG 99 8.101 7.656 21.763 699 HB3 ARG 99 HB3 ARG 99 8.635 7.214 20.134 700 HG2 ARG 99 HG2 ARG 99 6.256 8.961 20.289 701 HG3 ARG 99 HG3 ARG 99 7.796 9.669 20.801 702 HD2 ARG 99 HD2 ARG 99 8.812 9.248 18.691 703 HD3 ARG 99 HD3 ARG 99 7.475 8.201 18.196 704 HE ARG 99 HE ARG 99 6.419 10.729 18.705 705 HH11 ARG 99 HH11 ARG 99 8.612 9.198 16.477 706 HH12 ARG 99 HH12 ARG 99 8.269 10.295 15.181 707 HH21 ARG 99 HH21 ARG 99 5.958 12.181 17.007 708 HH22 ARG 99 HH22 ARG 99 6.759 11.994 15.484 709 H GLY 100 H GLY 100 7.704 5.608 22.834 710 HA2 GLY 100 HA2 GLY 100 7.588 2.908 22.736 711 HA3 GLY 100 HA3 GLY 100 8.917 3.817 21.760 Start of MODEL 19 1 H1 GLY 1 H GLY 1 14.296 2.862 -46.851 2 HA2 GLY 1 HA2 GLY 1 15.096 1.687 -44.915 3 HA3 GLY 1 HA3 GLY 1 16.636 2.513 -45.097 4 H SER 2 H SER 2 16.615 3.220 -42.947 5 HA SER 2 HA SER 2 14.455 4.676 -41.817 6 HB2 SER 2 HB2 SER 2 17.277 4.074 -41.058 7 HB3 SER 2 HB3 SER 2 16.495 5.453 -40.266 8 HG SER 2 HG SER 2 16.266 3.222 -39.313 9 H ARG 3 H ARG 3 14.860 6.959 -40.925 10 HA ARG 3 HA ARG 3 16.527 8.725 -42.408 11 HB2 ARG 3 HB2 ARG 3 14.282 8.024 -43.793 12 HB3 ARG 3 HB3 ARG 3 13.729 9.470 -42.936 13 HG2 ARG 3 HG2 ARG 3 15.099 10.872 -44.090 14 HG3 ARG 3 HG3 ARG 3 16.340 9.631 -44.323 15 HD2 ARG 3 HD2 ARG 3 15.580 9.575 -46.444 16 HD3 ARG 3 HD3 ARG 3 14.291 8.578 -45.753 17 HE ARG 3 HE ARG 3 13.381 11.128 -45.457 18 HH11 ARG 3 HH11 ARG 3 14.525 9.235 -48.146 19 HH12 ARG 3 HH12 ARG 3 13.535 10.050 -49.311 20 HH21 ARG 3 HH21 ARG 3 12.072 12.210 -46.981 21 HH22 ARG 3 HH22 ARG 3 12.142 11.743 -48.647 22 H ARG 4 H ARG 4 15.759 11.100 -41.979 23 HA ARG 4 HA ARG 4 15.523 12.723 -40.400 24 HB2 ARG 4 HB2 ARG 4 13.131 11.232 -40.498 25 HB3 ARG 4 HB3 ARG 4 13.461 11.529 -38.785 26 HG2 ARG 4 HG2 ARG 4 12.389 13.465 -39.131 27 HG3 ARG 4 HG3 ARG 4 13.929 13.985 -39.829 28 HD2 ARG 4 HD2 ARG 4 13.105 13.157 -42.060 29 HD3 ARG 4 HD3 ARG 4 11.529 12.909 -41.297 30 HE ARG 4 HE ARG 4 12.661 15.400 -42.129 31 HH11 ARG 4 HH11 ARG 4 10.492 13.902 -39.856 32 HH12 ARG 4 HH12 ARG 4 9.549 15.335 -39.611 33 HH21 ARG 4 HH21 ARG 4 11.428 17.293 -41.816 34 HH22 ARG 4 HH22 ARG 4 10.081 17.264 -40.727 35 H ALA 5 H ALA 5 14.983 12.857 -37.784 36 HA ALA 5 HA ALA 5 16.428 10.792 -36.346 37 HB1 ALA 5 HB1 ALA 5 17.966 12.535 -35.328 38 HB2 ALA 5 HB2 ALA 5 18.312 12.052 -36.988 39 HB3 ALA 5 HB3 ALA 5 17.497 13.583 -36.666 40 H SER 6 H SER 6 14.899 13.985 -36.235 41 HA SER 6 HA SER 6 13.478 14.945 -34.739 42 HB2 SER 6 HB2 SER 6 12.963 12.413 -33.265 43 HB3 SER 6 HB3 SER 6 11.822 13.612 -33.898 44 HG SER 6 HG SER 6 11.567 12.360 -35.550 45 H VAL 7 H VAL 7 13.157 15.397 -32.391 46 HA VAL 7 HA VAL 7 15.319 14.527 -30.646 47 HB VAL 7 HB VAL 7 15.921 16.848 -30.030 48 HG11 VAL 7 HG11 VAL 7 17.449 17.171 -31.780 49 HG12 VAL 7 HG12 VAL 7 17.130 15.435 -31.782 50 HG13 VAL 7 HG13 VAL 7 16.357 16.475 -32.978 51 HG21 VAL 7 HG21 VAL 7 14.410 17.676 -32.502 52 HG22 VAL 7 HG22 VAL 7 13.782 17.852 -30.863 53 HG23 VAL 7 HG23 VAL 7 15.239 18.719 -31.346 54 H GLY 8 H GLY 8 15.058 15.605 -28.421 55 HA2 GLY 8 HA2 GLY 8 12.566 16.689 -27.647 56 HA3 GLY 8 HA3 GLY 8 12.552 14.953 -27.380 57 H SER 9 H SER 9 12.209 15.814 -25.125 58 HA SER 9 HA SER 9 14.774 15.789 -23.755 59 HB2 SER 9 HB2 SER 9 13.080 17.790 -22.508 60 HB3 SER 9 HB3 SER 9 14.766 17.918 -23.043 61 HG SER 9 HG SER 9 12.457 18.726 -24.302 62 H GLU 10 H GLU 10 14.696 14.638 -21.919 63 HA GLU 10 HA GLU 10 12.042 13.998 -20.809 64 HB2 GLU 10 HB2 GLU 10 14.398 12.209 -21.362 65 HB3 GLU 10 HB3 GLU 10 13.198 11.784 -20.131 66 HG2 GLU 10 HG2 GLU 10 11.637 11.218 -21.638 67 HG3 GLU 10 HG3 GLU 10 12.073 12.540 -22.730 68 H PHE 11 H PHE 11 12.449 12.860 -18.537 69 HA PHE 11 HA PHE 11 12.895 13.293 -16.344 70 HB2 PHE 11 HB2 PHE 11 15.486 13.253 -17.759 71 HB3 PHE 11 HB3 PHE 11 15.519 14.033 -16.175 72 HD1 PHE 11 HD1 PHE 11 13.959 12.607 -14.394 73 HD2 PHE 11 HD2 PHE 11 16.170 11.061 -17.687 74 HE1 PHE 11 HE1 PHE 11 14.071 10.413 -13.286 75 HE2 PHE 11 HE2 PHE 11 16.285 8.865 -16.585 76 HZ PHE 11 HZ PHE 11 15.234 8.538 -14.381 77 H MET 12 H MET 12 11.505 15.173 -16.398 78 HA MET 12 HA MET 12 12.473 17.779 -16.904 79 HB2 MET 12 HB2 MET 12 10.030 16.549 -15.860 80 HB3 MET 12 HB3 MET 12 10.392 18.118 -15.123 81 HG2 MET 12 HG2 MET 12 10.580 19.098 -17.400 82 HG3 MET 12 HG3 MET 12 10.066 17.542 -18.056 83 HE1 MET 12 HE1 MET 12 8.173 16.356 -17.519 84 HE2 MET 12 HE2 MET 12 7.022 16.783 -16.254 85 HE3 MET 12 HE3 MET 12 6.671 17.181 -17.936 86 H VAL 13 H VAL 13 12.213 19.487 -15.028 87 HA VAL 13 HA VAL 13 14.351 19.012 -13.225 88 HB VAL 13 HB VAL 13 13.704 21.202 -12.222 89 HG11 VAL 13 HG11 VAL 13 14.618 22.421 -13.943 90 HG12 VAL 13 HG12 VAL 13 15.068 20.783 -14.423 91 HG13 VAL 13 HG13 VAL 13 13.686 21.577 -15.179 92 HG21 VAL 13 HG21 VAL 13 11.205 20.673 -13.034 93 HG22 VAL 13 HG22 VAL 13 11.790 22.307 -12.720 94 HG23 VAL 13 HG23 VAL 13 11.737 21.691 -14.372 95 H VAL 14 H VAL 14 14.332 18.858 -10.963 96 HA VAL 14 HA VAL 14 13.609 18.150 -8.923 97 HB VAL 14 HB VAL 14 11.613 19.900 -9.796 98 HG11 VAL 14 HG11 VAL 14 9.538 18.965 -9.023 99 HG12 VAL 14 HG12 VAL 14 10.218 17.896 -10.252 100 HG13 VAL 14 HG13 VAL 14 10.341 17.471 -8.543 101 HG21 VAL 14 HG21 VAL 14 12.984 19.731 -7.628 102 HG22 VAL 14 HG22 VAL 14 11.341 20.365 -7.524 103 HG23 VAL 14 HG23 VAL 14 11.676 18.700 -7.047 104 H ASP 15 H ASP 15 12.556 16.373 -7.869 105 HA ASP 15 HA ASP 15 11.068 14.502 -9.521 106 HB2 ASP 15 HB2 ASP 15 13.781 13.870 -8.338 107 HB3 ASP 15 HB3 ASP 15 12.636 12.627 -8.863 108 H VAL 16 H VAL 16 9.430 13.796 -8.339 109 HA VAL 16 HA VAL 16 9.846 13.112 -5.533 110 HB VAL 16 HB VAL 16 7.577 14.919 -6.370 111 HG11 VAL 16 HG11 VAL 16 8.071 13.298 -4.056 112 HG12 VAL 16 HG12 VAL 16 8.031 15.002 -3.601 113 HG13 VAL 16 HG13 VAL 16 6.662 14.282 -4.449 114 HG21 VAL 16 HG21 VAL 16 8.772 16.641 -5.006 115 HG22 VAL 16 HG22 VAL 16 10.168 15.564 -4.971 116 HG23 VAL 16 HG23 VAL 16 9.588 16.206 -6.507 117 H THR 17 H THR 17 9.656 11.063 -6.918 118 HA THR 17 HA THR 17 6.859 10.355 -7.444 119 HB THR 17 HB THR 17 8.311 8.158 -8.198 120 HG1 THR 17 HG1 THR 17 10.119 9.027 -9.348 121 HG21 THR 17 HG21 THR 17 7.752 8.751 -10.390 122 HG22 THR 17 HG22 THR 17 7.934 10.476 -10.069 123 HG23 THR 17 HG23 THR 17 6.552 9.598 -9.415 124 H ILE 18 H ILE 18 6.302 8.015 -6.901 125 HA ILE 18 HA ILE 18 7.406 7.310 -4.260 126 HB ILE 18 HB ILE 18 4.536 6.842 -5.040 127 HG12 ILE 18 HG12 ILE 18 4.930 9.246 -5.108 128 HG13 ILE 18 HG13 ILE 18 3.963 8.821 -3.686 129 HG21 ILE 18 HG21 ILE 18 6.153 6.594 -2.541 130 HG22 ILE 18 HG22 ILE 18 4.419 6.897 -2.441 131 HG23 ILE 18 HG23 ILE 18 5.016 5.454 -3.261 132 HD11 ILE 18 HD11 ILE 18 5.422 9.811 -2.360 133 HD12 ILE 18 HD12 ILE 18 6.709 8.761 -2.953 134 HD13 ILE 18 HD13 ILE 18 6.366 10.284 -3.773 135 H GLU 19 H GLU 19 7.292 5.059 -3.686 136 HA GLU 19 HA GLU 19 6.459 3.046 -5.484 137 HB2 GLU 19 HB2 GLU 19 8.798 2.166 -5.979 138 HB3 GLU 19 HB3 GLU 19 8.271 3.588 -6.892 139 HG2 GLU 19 HG2 GLU 19 9.860 4.905 -6.034 140 HG3 GLU 19 HG3 GLU 19 9.671 4.229 -4.410 141 H ASP 20 H ASP 20 6.093 1.286 -4.305 142 HA ASP 20 HA ASP 20 7.893 0.348 -2.296 143 HB2 ASP 20 HB2 ASP 20 6.427 2.311 -1.290 144 HB3 ASP 20 HB3 ASP 20 5.215 1.029 -1.160 145 H SER 21 H SER 21 7.217 -1.048 -4.380 146 HA SER 21 HA SER 21 4.918 -2.735 -3.698 147 HB2 SER 21 HB2 SER 21 5.553 -1.699 -6.090 148 HB3 SER 21 HB3 SER 21 6.476 -3.208 -6.189 149 HG SER 21 HG SER 21 3.880 -2.878 -6.563 150 H TYR 22 H TYR 22 5.578 -5.111 -4.820 151 HA TYR 22 HA TYR 22 6.598 -7.093 -4.371 152 HB2 TYR 22 HB2 TYR 22 8.671 -5.204 -4.904 153 HB3 TYR 22 HB3 TYR 22 9.221 -6.272 -3.609 154 HD1 TYR 22 HD2 TYR 22 8.148 -6.147 -7.121 155 HD2 TYR 22 HD1 TYR 22 9.656 -8.609 -3.997 156 HE1 TYR 22 HE2 TYR 22 8.686 -7.895 -8.767 157 HE2 TYR 22 HE1 TYR 22 10.199 -10.363 -5.633 158 HH TYR 22 HH TYR 22 10.427 -10.814 -7.842 159 H SER 23 H SER 23 8.205 -8.147 -2.626 160 HA SER 23 HA SER 23 8.327 -7.054 -0.046 161 HB2 SER 23 HB2 SER 23 6.068 -7.167 0.373 162 HB3 SER 23 HB3 SER 23 5.829 -8.532 -0.732 163 HG SER 23 HG SER 23 6.769 -8.546 1.921 164 H THR 24 H THR 24 7.295 -10.294 -1.097 165 HA THR 24 HA THR 24 9.902 -11.419 -0.981 166 HB THR 24 HB THR 24 8.767 -12.964 1.043 167 HG1 THR 24 HG1 THR 24 8.527 -11.135 2.644 168 HG21 THR 24 HG21 THR 24 10.753 -10.744 1.487 169 HG22 THR 24 HG22 THR 24 11.164 -12.234 0.636 170 HG23 THR 24 HG23 THR 24 10.644 -12.294 2.320 171 H GLU 25 H GLU 25 6.705 -12.639 0.022 172 HA GLU 25 HA GLU 25 6.794 -14.473 -2.284 173 HB2 GLU 25 HB2 GLU 25 5.322 -15.126 0.253 174 HB3 GLU 25 HB3 GLU 25 5.921 -16.220 -1.003 175 HG2 GLU 25 HG2 GLU 25 8.223 -15.803 -0.300 176 HG3 GLU 25 HG3 GLU 25 7.632 -14.698 0.951 177 H SER 26 H SER 26 5.200 -11.915 -0.867 178 HA SER 26 HA SER 26 3.020 -12.094 -2.730 179 HB2 SER 26 HB2 SER 26 2.336 -12.053 0.223 180 HB3 SER 26 HB3 SER 26 1.205 -12.109 -1.142 181 HG SER 26 HG SER 26 1.411 -14.183 -0.399 182 H ALA 27 H ALA 27 2.198 -10.114 -3.219 183 HA ALA 27 HA ALA 27 3.013 -7.846 -1.529 184 HB1 ALA 27 HB1 ALA 27 4.052 -8.416 -4.052 185 HB2 ALA 27 HB2 ALA 27 2.898 -7.108 -4.313 186 HB3 ALA 27 HB3 ALA 27 4.209 -6.908 -3.150 187 H TRP 28 H TRP 28 1.731 -5.872 -1.923 188 HA TRP 28 HA TRP 28 -1.069 -6.586 -2.398 189 HB2 TRP 28 HB2 TRP 28 0.332 -4.491 -0.797 190 HB3 TRP 28 HB3 TRP 28 -1.277 -4.116 -1.417 191 HD1 TRP 28 HD1 TRP 28 0.272 -5.542 1.543 192 HE1 TRP 28 HE1 TRP 28 -1.415 -6.905 2.927 193 HE3 TRP 28 HE3 TRP 28 -3.453 -5.990 -1.930 194 HZ2 TRP 28 HZ2 TRP 28 -3.985 -8.024 2.592 195 HZ3 TRP 28 HZ3 TRP 28 -5.493 -7.222 -1.318 196 HH2 TRP 28 HH2 TRP 28 -5.751 -8.218 0.897 197 H VAL 29 H VAL 29 -2.215 -5.811 -4.066 198 HA VAL 29 HA VAL 29 -1.084 -3.601 -5.643 199 HB VAL 29 HB VAL 29 -0.568 -5.719 -6.787 200 HG11 VAL 29 HG11 VAL 29 -2.512 -6.970 -7.800 201 HG12 VAL 29 HG12 VAL 29 -2.301 -7.163 -6.058 202 HG13 VAL 29 HG13 VAL 29 -3.553 -6.088 -6.683 203 HG21 VAL 29 HG21 VAL 29 -1.319 -3.490 -7.932 204 HG22 VAL 29 HG22 VAL 29 -1.094 -4.952 -8.893 205 HG23 VAL 29 HG23 VAL 29 -2.717 -4.449 -8.421 206 H ARG 30 H ARG 30 -2.555 -2.218 -6.593 207 HA ARG 30 HA ARG 30 -5.339 -2.559 -5.702 208 HB2 ARG 30 HB2 ARG 30 -4.073 -0.567 -4.866 209 HB3 ARG 30 HB3 ARG 30 -3.960 -0.004 -6.540 210 HG2 ARG 30 HG2 ARG 30 -6.649 -0.456 -6.277 211 HG3 ARG 30 HG3 ARG 30 -6.193 0.130 -4.668 212 HD2 ARG 30 HD2 ARG 30 -6.805 2.034 -5.988 213 HD3 ARG 30 HD3 ARG 30 -5.050 2.057 -5.766 214 HE ARG 30 HE ARG 30 -5.769 0.735 -8.180 215 HH11 ARG 30 HH11 ARG 30 -5.406 3.880 -6.729 216 HH12 ARG 30 HH12 ARG 30 -5.085 4.679 -8.232 217 HH21 ARG 30 HH21 ARG 30 -5.349 1.777 -10.165 218 HH22 ARG 30 HH22 ARG 30 -5.054 3.483 -10.186 219 H CYS 31 H CYS 31 -7.031 -2.322 -7.127 220 HA CYS 31 HA CYS 31 -6.444 -2.870 -9.882 221 HB2 CYS 31 HB2 CYS 31 -8.351 -3.902 -8.672 222 HB3 CYS 31 HB3 CYS 31 -9.111 -2.312 -8.566 223 H ASP 32 H ASP 32 -6.771 -1.582 -11.658 224 HA ASP 32 HA ASP 32 -6.983 1.287 -11.102 225 HB2 ASP 32 HB2 ASP 32 -5.164 -0.069 -12.605 226 HB3 ASP 32 HB3 ASP 32 -6.338 0.398 -13.844 227 H ASP 33 H ASP 33 -9.317 -0.444 -11.111 228 HA ASP 33 HA ASP 33 -10.851 0.969 -13.168 229 HB2 ASP 33 HB2 ASP 33 -10.313 -1.315 -14.018 230 HB3 ASP 33 HB3 ASP 33 -11.163 -1.991 -12.621 231 H CYS 34 H CYS 34 -10.961 -1.096 -10.285 232 HA CYS 34 HA CYS 34 -13.431 0.293 -9.476 233 HB2 CYS 34 HB2 CYS 34 -13.969 -1.651 -8.115 234 HB3 CYS 34 HB3 CYS 34 -13.713 -2.134 -9.792 235 H PHE 35 H PHE 35 -10.154 -0.004 -8.850 236 HA PHE 35 HA PHE 35 -8.785 0.724 -7.187 237 HB2 PHE 35 HB2 PHE 35 -11.270 2.288 -6.444 238 HB3 PHE 35 HB3 PHE 35 -9.683 2.549 -5.720 239 HD1 PHE 35 HD1 PHE 35 -11.582 2.767 -8.872 240 HD2 PHE 35 HD2 PHE 35 -7.998 3.792 -6.818 241 HE1 PHE 35 HE1 PHE 35 -10.987 4.315 -10.690 242 HE2 PHE 35 HE2 PHE 35 -7.399 5.343 -8.631 243 HZ PHE 35 HZ PHE 35 -8.895 5.607 -10.570 244 H LYS 36 H LYS 36 -8.978 -1.570 -6.463 245 HA LYS 36 HA LYS 36 -9.855 -1.618 -3.671 246 HB2 LYS 36 HB2 LYS 36 -11.581 -2.663 -5.263 247 HB3 LYS 36 HB3 LYS 36 -10.399 -3.964 -5.477 248 HG2 LYS 36 HG2 LYS 36 -11.961 -4.662 -3.819 249 HG3 LYS 36 HG3 LYS 36 -10.422 -4.311 -3.014 250 HD2 LYS 36 HD2 LYS 36 -12.269 -3.411 -1.713 251 HD3 LYS 36 HD3 LYS 36 -11.276 -2.096 -2.367 252 HE2 LYS 36 HE2 LYS 36 -13.015 -1.229 -3.464 253 HE3 LYS 36 HE3 LYS 36 -13.355 -2.789 -4.229 254 HZ1 LYS 36 HZ1 LYS 36 -15.166 -1.819 -2.789 255 HZ2 LYS 36 HZ2 LYS 36 -14.194 -2.189 -1.455 256 HZ3 LYS 36 HZ3 LYS 36 -14.743 -3.426 -2.468 257 H TRP 37 H TRP 37 -8.659 -2.969 -2.331 258 HA TRP 37 HA TRP 37 -5.992 -3.496 -3.188 259 HB2 TRP 37 HB2 TRP 37 -7.539 -3.778 -0.655 260 HB3 TRP 37 HB3 TRP 37 -6.073 -4.746 -0.820 261 HD1 TRP 37 HD1 TRP 37 -6.903 -1.757 0.803 262 HE1 TRP 37 HE1 TRP 37 -4.978 -0.050 0.865 263 HE3 TRP 37 HE3 TRP 37 -3.958 -3.719 -2.888 264 HZ2 TRP 37 HZ2 TRP 37 -2.535 0.406 -0.474 265 HZ3 TRP 37 HZ3 TRP 37 -1.844 -2.587 -3.436 266 HH2 TRP 37 HH2 TRP 37 -1.150 -0.567 -2.254 267 H ARG 38 H ARG 38 -4.968 -5.424 -3.586 268 HA ARG 38 HA ARG 38 -6.496 -7.902 -3.430 269 HB2 ARG 38 HB2 ARG 38 -6.539 -6.575 -5.780 270 HB3 ARG 38 HB3 ARG 38 -5.052 -7.513 -5.986 271 HG2 ARG 38 HG2 ARG 38 -6.400 -9.116 -6.768 272 HG3 ARG 38 HG3 ARG 38 -6.760 -9.415 -5.059 273 HD2 ARG 38 HD2 ARG 38 -8.571 -7.563 -5.380 274 HD3 ARG 38 HD3 ARG 38 -8.369 -7.935 -7.099 275 HE ARG 38 HE ARG 38 -8.738 -10.348 -5.757 276 HH11 ARG 38 HH11 ARG 38 -10.514 -7.435 -6.446 277 HH12 ARG 38 HH12 ARG 38 -12.060 -8.217 -6.424 278 HH21 ARG 38 HH21 ARG 38 -10.767 -11.389 -5.726 279 HH22 ARG 38 HH22 ARG 38 -12.203 -10.466 -6.015 280 H ARG 39 H ARG 39 -5.260 -9.452 -2.608 281 HA ARG 39 HA ARG 39 -2.404 -9.033 -2.370 282 HB2 ARG 39 HB2 ARG 39 -3.977 -9.917 -0.537 283 HB3 ARG 39 HB3 ARG 39 -3.912 -11.454 -1.413 284 HG2 ARG 39 HG2 ARG 39 -1.279 -10.945 -1.227 285 HG3 ARG 39 HG3 ARG 39 -1.860 -10.128 0.234 286 HD2 ARG 39 HD2 ARG 39 -3.223 -12.402 0.510 287 HD3 ARG 39 HD3 ARG 39 -1.879 -13.013 -0.465 288 HE ARG 39 HE ARG 39 -0.764 -11.521 1.591 289 HH11 ARG 39 HH11 ARG 39 -2.702 -14.391 1.233 290 HH12 ARG 39 HH12 ARG 39 -2.088 -15.142 2.669 291 HH21 ARG 39 HH21 ARG 39 0.050 -12.498 3.483 292 HH22 ARG 39 HH22 ARG 39 -0.525 -14.063 3.949 293 H ILE 40 H ILE 40 -0.934 -9.854 -3.698 294 HA ILE 40 HA ILE 40 -1.628 -12.244 -5.273 295 HB ILE 40 HB ILE 40 -0.596 -11.381 -7.226 296 HG12 ILE 40 HG12 ILE 40 0.260 -9.054 -5.489 297 HG13 ILE 40 HG13 ILE 40 1.312 -10.258 -6.253 298 HG21 ILE 40 HG21 ILE 40 -2.893 -10.612 -6.792 299 HG22 ILE 40 HG22 ILE 40 -2.247 -9.157 -6.033 300 HG23 ILE 40 HG23 ILE 40 -1.970 -9.453 -7.750 301 HD11 ILE 40 HD11 ILE 40 -0.137 -7.972 -7.503 302 HD12 ILE 40 HD12 ILE 40 1.555 -8.449 -7.651 303 HD13 ILE 40 HD13 ILE 40 0.300 -9.381 -8.469 304 HA PRO 41 HA PRO 41 2.175 -13.971 -3.914 305 HB2 PRO 41 HB2 PRO 41 2.821 -15.554 -6.054 306 HB3 PRO 41 HB3 PRO 41 1.510 -15.920 -4.933 307 HG2 PRO 41 HG2 PRO 41 1.399 -14.589 -7.618 308 HG3 PRO 41 HG3 PRO 41 0.344 -15.885 -6.945 309 HD2 PRO 41 HD2 PRO 41 -0.413 -13.280 -7.039 310 HD3 PRO 41 HD3 PRO 41 -0.907 -14.374 -5.734 311 H ALA 42 H ALA 42 4.436 -13.896 -4.186 312 HA ALA 42 HA ALA 42 5.425 -11.579 -5.475 313 HB1 ALA 42 HB1 ALA 42 6.418 -12.558 -3.437 314 HB2 ALA 42 HB2 ALA 42 7.001 -13.915 -4.401 315 HB3 ALA 42 HB3 ALA 42 7.604 -12.287 -4.715 316 H SER 43 H SER 43 4.714 -14.655 -6.661 317 HA SER 43 HA SER 43 6.762 -14.801 -8.669 318 HB2 SER 43 HB2 SER 43 4.665 -16.501 -7.668 319 HB3 SER 43 HB3 SER 43 4.559 -16.406 -9.434 320 HG SER 43 HG SER 43 6.784 -17.200 -7.872 321 H VAL 44 H VAL 44 3.427 -13.688 -8.514 322 HA VAL 44 HA VAL 44 3.422 -13.046 -11.359 323 HB VAL 44 HB VAL 44 1.408 -14.041 -10.203 324 HG11 VAL 44 HG11 VAL 44 -0.030 -12.548 -8.928 325 HG12 VAL 44 HG12 VAL 44 1.544 -12.714 -8.145 326 HG13 VAL 44 HG13 VAL 44 1.165 -11.258 -9.066 327 HG21 VAL 44 HG21 VAL 44 0.432 -13.280 -12.046 328 HG22 VAL 44 HG22 VAL 44 0.092 -11.764 -11.212 329 HG23 VAL 44 HG23 VAL 44 1.579 -11.944 -12.142 330 H VAL 45 H VAL 45 3.659 -11.489 -8.244 331 HA VAL 45 HA VAL 45 3.054 -8.860 -8.906 332 HB VAL 45 HB VAL 45 3.704 -9.942 -6.613 333 HG11 VAL 45 HG11 VAL 45 6.337 -8.653 -7.262 334 HG12 VAL 45 HG12 VAL 45 5.916 -9.676 -5.887 335 HG13 VAL 45 HG13 VAL 45 6.062 -10.379 -7.499 336 HG21 VAL 45 HG21 VAL 45 4.701 -7.418 -6.148 337 HG22 VAL 45 HG22 VAL 45 3.741 -7.208 -7.613 338 HG23 VAL 45 HG23 VAL 45 2.997 -7.871 -6.157 339 H GLY 46 H GLY 46 5.821 -10.780 -9.722 340 HA2 GLY 46 HA2 GLY 46 7.287 -8.406 -10.643 341 HA3 GLY 46 HA3 GLY 46 8.052 -9.716 -10.487 342 H SER 47 H SER 47 4.889 -9.727 -11.984 343 HA SER 47 HA SER 47 6.133 -9.918 -14.638 344 HB2 SER 47 HB2 SER 47 4.494 -11.948 -13.244 345 HB3 SER 47 HB3 SER 47 4.025 -11.618 -14.920 346 HG SER 47 HG SER 47 5.567 -13.136 -15.109 347 H ILE 48 H ILE 48 3.197 -9.383 -12.749 348 HA ILE 48 HA ILE 48 1.595 -8.442 -14.876 349 HB ILE 48 HB ILE 48 0.149 -7.477 -13.134 350 HG12 ILE 48 HG12 ILE 48 1.062 -8.299 -10.724 351 HG13 ILE 48 HG13 ILE 48 2.592 -7.886 -11.512 352 HG21 ILE 48 HG21 ILE 48 0.238 -9.813 -11.715 353 HG22 ILE 48 HG22 ILE 48 -0.586 -9.586 -13.256 354 HG23 ILE 48 HG23 ILE 48 1.045 -10.255 -13.218 355 HD11 ILE 48 HD11 ILE 48 1.313 -5.678 -12.127 356 HD12 ILE 48 HD12 ILE 48 0.346 -6.119 -10.720 357 HD13 ILE 48 HD13 ILE 48 2.086 -5.885 -10.556 358 H ASP 49 H ASP 49 4.152 -7.006 -13.101 359 HA ASP 49 HA ASP 49 3.378 -4.275 -13.536 360 HB2 ASP 49 HB2 ASP 49 5.836 -5.654 -12.496 361 HB3 ASP 49 HB3 ASP 49 5.898 -3.938 -12.918 362 H GLU 50 H GLU 50 3.014 -5.054 -15.931 363 HA GLU 50 HA GLU 50 5.322 -5.188 -17.604 364 HB2 GLU 50 HB2 GLU 50 3.795 -5.141 -19.456 365 HB3 GLU 50 HB3 GLU 50 3.106 -6.169 -18.190 366 HG2 GLU 50 HG2 GLU 50 1.897 -3.946 -17.478 367 HG3 GLU 50 HG3 GLU 50 2.211 -3.507 -19.164 368 H SER 51 H SER 51 3.200 -2.625 -16.506 369 HA SER 51 HA SER 51 5.028 -0.672 -17.714 370 HB2 SER 51 HB2 SER 51 2.181 -1.043 -18.307 371 HB3 SER 51 HB3 SER 51 2.579 0.610 -17.810 372 HG SER 51 HG SER 51 2.794 0.092 -20.126 373 H SER 52 H SER 52 2.003 -0.388 -15.870 374 HA SER 52 HA SER 52 3.130 0.116 -13.365 375 HB2 SER 52 HB2 SER 52 2.612 2.675 -13.384 376 HB3 SER 52 HB3 SER 52 4.151 2.100 -14.050 377 HG SER 52 HG SER 52 2.910 3.637 -15.377 378 H ARG 53 H ARG 53 0.956 -1.296 -14.200 379 HA ARG 53 HA ARG 53 -1.138 -0.106 -12.628 380 HB2 ARG 53 HB2 ARG 53 -2.831 0.043 -14.268 381 HB3 ARG 53 HB3 ARG 53 -1.420 0.851 -14.965 382 HG2 ARG 53 HG2 ARG 53 -1.144 -1.783 -15.790 383 HG3 ARG 53 HG3 ARG 53 -2.882 -1.456 -15.915 384 HD2 ARG 53 HD2 ARG 53 -0.994 0.609 -16.952 385 HD3 ARG 53 HD3 ARG 53 -1.205 -0.881 -17.884 386 HE ARG 53 HE ARG 53 -3.043 1.269 -17.701 387 HH11 ARG 53 HH11 ARG 53 -2.875 -2.201 -17.921 388 HH12 ARG 53 HH12 ARG 53 -4.421 -2.358 -18.686 389 HH21 ARG 53 HH21 ARG 53 -5.080 1.076 -18.709 390 HH22 ARG 53 HH22 ARG 53 -5.674 -0.494 -19.136 391 H TRP 54 H TRP 54 -3.116 -1.612 -12.620 392 HA TRP 54 HA TRP 54 -2.746 -4.333 -13.379 393 HB2 TRP 54 HB2 TRP 54 -1.176 -4.332 -11.520 394 HB3 TRP 54 HB3 TRP 54 -2.396 -3.630 -10.458 395 HD1 TRP 54 HD1 TRP 54 -1.184 -6.940 -11.753 396 HE1 TRP 54 HE1 TRP 54 -2.600 -8.836 -10.742 397 HE3 TRP 54 HE3 TRP 54 -4.919 -4.140 -9.666 398 HZ2 TRP 54 HZ2 TRP 54 -4.985 -9.110 -9.256 399 HZ3 TRP 54 HZ3 TRP 54 -6.730 -5.297 -8.468 400 HH2 TRP 54 HH2 TRP 54 -6.761 -7.731 -8.269 401 H ILE 55 H ILE 55 -4.620 -5.536 -13.166 402 HA ILE 55 HA ILE 55 -6.897 -4.224 -11.847 403 HB ILE 55 HB ILE 55 -8.304 -5.163 -13.785 404 HG12 ILE 55 HG12 ILE 55 -5.552 -5.105 -15.049 405 HG13 ILE 55 HG13 ILE 55 -6.593 -6.523 -14.843 406 HG21 ILE 55 HG21 ILE 55 -7.868 -2.764 -13.312 407 HG22 ILE 55 HG22 ILE 55 -6.469 -2.849 -14.382 408 HG23 ILE 55 HG23 ILE 55 -8.089 -3.118 -15.026 409 HD11 ILE 55 HD11 ILE 55 -8.205 -4.826 -16.255 410 HD12 ILE 55 HD12 ILE 55 -6.609 -4.498 -16.928 411 HD13 ILE 55 HD13 ILE 55 -7.248 -6.142 -16.932 412 H CYS 56 H CYS 56 -8.789 -5.759 -11.634 413 HA CYS 56 HA CYS 56 -8.027 -8.020 -10.179 414 HB2 CYS 56 HB2 CYS 56 -10.700 -7.482 -11.496 415 HB3 CYS 56 HB3 CYS 56 -10.405 -8.612 -10.174 416 H MET 57 H MET 57 -9.424 -7.810 -13.448 417 HA MET 57 HA MET 57 -9.407 -10.546 -14.014 418 HB2 MET 57 HB2 MET 57 -9.432 -9.850 -16.409 419 HB3 MET 57 HB3 MET 57 -10.643 -9.030 -15.412 420 HG2 MET 57 HG2 MET 57 -8.435 -7.353 -15.282 421 HG3 MET 57 HG3 MET 57 -8.458 -7.925 -16.952 422 HE1 MET 57 HE1 MET 57 -11.334 -5.136 -14.850 423 HE2 MET 57 HE2 MET 57 -11.613 -6.826 -14.428 424 HE3 MET 57 HE3 MET 57 -10.028 -6.099 -14.158 425 H ASN 58 H ASN 58 -6.827 -8.297 -13.808 426 HA ASN 58 HA ASN 58 -5.003 -9.837 -15.442 427 HB2 ASN 58 HB2 ASN 58 -4.941 -7.248 -13.997 428 HB3 ASN 58 HB3 ASN 58 -3.396 -8.096 -14.136 429 HD21 ASN 58 HD21 ASN 58 -6.111 -7.974 -16.393 430 HD22 ASN 58 HD22 ASN 58 -5.221 -7.273 -17.699 431 H ASN 59 H ASN 59 -6.182 -10.059 -12.321 432 HA ASN 59 HA ASN 59 -3.956 -10.761 -10.795 433 HB2 ASN 59 HB2 ASN 59 -6.373 -10.383 -10.033 434 HB3 ASN 59 HB3 ASN 59 -6.660 -12.063 -10.500 435 HD21 ASN 59 HD21 ASN 59 -7.223 -12.021 -8.122 436 HD22 ASN 59 HD22 ASN 59 -5.955 -12.434 -7.024 437 H SER 60 H SER 60 -2.990 -12.734 -10.291 438 HA SER 60 HA SER 60 -2.730 -14.554 -12.452 439 HB2 SER 60 HB2 SER 60 -1.156 -13.902 -10.339 440 HB3 SER 60 HB3 SER 60 -1.828 -15.444 -9.777 441 HG SER 60 HG SER 60 0.165 -15.544 -11.075 442 H ASP 61 H ASP 61 -4.726 -14.460 -9.618 443 HA ASP 61 HA ASP 61 -5.386 -17.221 -9.517 444 HB2 ASP 61 HB2 ASP 61 -5.831 -15.059 -7.888 445 HB3 ASP 61 HB3 ASP 61 -7.440 -15.344 -8.567 446 H LYS 62 H LYS 62 -8.095 -17.406 -9.498 447 HA LYS 62 HA LYS 62 -8.935 -16.608 -12.202 448 HB2 LYS 62 HB2 LYS 62 -9.601 -19.294 -10.997 449 HB3 LYS 62 HB3 LYS 62 -9.802 -18.766 -12.676 450 HG2 LYS 62 HG2 LYS 62 -7.925 -19.983 -12.974 451 HG3 LYS 62 HG3 LYS 62 -7.155 -18.475 -12.453 452 HD2 LYS 62 HD2 LYS 62 -6.162 -20.263 -11.208 453 HD3 LYS 62 HD3 LYS 62 -7.204 -19.343 -10.108 454 HE2 LYS 62 HE2 LYS 62 -8.619 -21.070 -9.782 455 HE3 LYS 62 HE3 LYS 62 -8.549 -21.559 -11.482 456 HZ1 LYS 62 HZ1 LYS 62 -6.055 -22.069 -10.303 457 HZ2 LYS 62 HZ2 LYS 62 -7.165 -23.178 -10.935 458 HZ3 LYS 62 HZ3 LYS 62 -7.253 -22.730 -9.308 459 H ARG 63 H ARG 63 -10.080 -18.005 -9.131 460 HA ARG 63 HA ARG 63 -12.779 -17.192 -9.529 461 HB2 ARG 63 HB2 ARG 63 -11.216 -18.560 -7.464 462 HB3 ARG 63 HB3 ARG 63 -12.497 -17.530 -6.806 463 HG2 ARG 63 HG2 ARG 63 -13.614 -19.519 -7.038 464 HG3 ARG 63 HG3 ARG 63 -13.987 -18.730 -8.579 465 HD2 ARG 63 HD2 ARG 63 -11.502 -20.161 -8.807 466 HD3 ARG 63 HD3 ARG 63 -12.761 -21.230 -8.170 467 HE ARG 63 HE ARG 63 -12.586 -20.172 -10.824 468 HH11 ARG 63 HH11 ARG 63 -14.773 -21.321 -8.371 469 HH12 ARG 63 HH12 ARG 63 -16.004 -21.782 -9.499 470 HH21 ARG 63 HH21 ARG 63 -14.198 -20.775 -12.320 471 HH22 ARG 63 HH22 ARG 63 -15.676 -21.472 -11.746 472 H PHE 64 H PHE 64 -9.956 -15.618 -8.358 473 HA PHE 64 HA PHE 64 -11.599 -13.356 -7.425 474 HB2 PHE 64 HB2 PHE 64 -8.960 -14.424 -6.438 475 HB3 PHE 64 HB3 PHE 64 -9.432 -12.751 -6.137 476 HD1 PHE 64 HD1 PHE 64 -11.057 -16.107 -5.907 477 HD2 PHE 64 HD2 PHE 64 -10.328 -12.334 -4.077 478 HE1 PHE 64 HE1 PHE 64 -12.367 -16.808 -3.946 479 HE2 PHE 64 HE2 PHE 64 -11.635 -13.030 -2.112 480 HZ PHE 64 HZ PHE 64 -12.655 -15.270 -2.044 481 H ALA 65 H ALA 65 -10.493 -14.074 -10.131 482 HA ALA 65 HA ALA 65 -8.789 -11.712 -10.562 483 HB1 ALA 65 HB1 ALA 65 -8.074 -14.143 -11.217 484 HB2 ALA 65 HB2 ALA 65 -9.093 -13.842 -12.624 485 HB3 ALA 65 HB3 ALA 65 -7.721 -12.786 -12.287 486 H ASP 66 H ASP 66 -10.974 -10.592 -10.386 487 HA ASP 66 HA ASP 66 -11.765 -9.693 -12.916 488 HB2 ASP 66 HB2 ASP 66 -13.228 -12.020 -11.884 489 HB3 ASP 66 HB3 ASP 66 -14.273 -10.659 -12.315 490 H CYS 67 H CYS 67 -12.982 -7.840 -12.780 491 HA CYS 67 HA CYS 67 -13.059 -6.505 -10.303 492 HB2 CYS 67 HB2 CYS 67 -13.916 -5.951 -13.078 493 HB3 CYS 67 HB3 CYS 67 -14.786 -5.058 -11.829 494 H SER 68 H SER 68 -15.320 -8.577 -11.893 495 HA SER 68 HA SER 68 -17.702 -7.722 -10.663 496 HB2 SER 68 HB2 SER 68 -18.072 -9.142 -12.465 497 HB3 SER 68 HB3 SER 68 -16.804 -10.271 -11.957 498 HG SER 68 HG SER 68 -18.530 -11.338 -11.301 499 H LYS 69 H LYS 69 -15.102 -9.787 -9.583 500 HA LYS 69 HA LYS 69 -16.481 -10.902 -7.351 501 HB2 LYS 69 HB2 LYS 69 -13.489 -10.585 -7.604 502 HB3 LYS 69 HB3 LYS 69 -14.386 -11.819 -6.705 503 HG2 LYS 69 HG2 LYS 69 -14.255 -11.546 -9.709 504 HG3 LYS 69 HG3 LYS 69 -13.423 -12.758 -8.719 505 HD2 LYS 69 HD2 LYS 69 -15.212 -14.049 -9.165 506 HD3 LYS 69 HD3 LYS 69 -16.001 -13.084 -7.904 507 HE2 LYS 69 HE2 LYS 69 -17.254 -11.891 -9.390 508 HE3 LYS 69 HE3 LYS 69 -16.012 -11.968 -10.648 509 HZ1 LYS 69 HZ1 LYS 69 -18.019 -14.009 -9.927 510 HZ2 LYS 69 HZ2 LYS 69 -16.617 -14.430 -10.774 511 HZ3 LYS 69 HZ3 LYS 69 -17.706 -13.320 -11.440 512 H SER 70 H SER 70 -15.873 -10.515 -5.085 513 HA SER 70 HA SER 70 -15.736 -7.649 -4.570 514 HB2 SER 70 HB2 SER 70 -16.081 -8.720 -2.112 515 HB3 SER 70 HB3 SER 70 -17.419 -8.381 -3.223 516 HG SER 70 HG SER 70 -16.479 -10.777 -2.332 517 H GLN 71 H GLN 71 -14.518 -7.043 -2.484 518 HA GLN 71 HA GLN 71 -11.792 -7.362 -2.895 519 HB2 GLN 71 HB2 GLN 71 -12.958 -5.570 -1.541 520 HB3 GLN 71 HB3 GLN 71 -13.052 -6.748 -0.223 521 HG2 GLN 71 HG2 GLN 71 -10.701 -6.838 0.013 522 HG3 GLN 71 HG3 GLN 71 -10.454 -5.968 -1.507 523 HE21 GLN 71 HE21 GLN 71 -9.076 -4.752 0.119 524 HE22 GLN 71 HE22 GLN 71 -9.820 -3.397 0.891 525 H GLU 72 H GLU 72 -10.192 -8.331 -1.404 526 HA GLU 72 HA GLU 72 -10.988 -11.062 -0.764 527 HB2 GLU 72 HB2 GLU 72 -8.204 -9.900 -0.628 528 HB3 GLU 72 HB3 GLU 72 -8.671 -11.604 -0.761 529 HG2 GLU 72 HG2 GLU 72 -9.817 -10.505 -3.001 530 HG3 GLU 72 HG3 GLU 72 -8.308 -9.596 -2.838 531 H MET 73 H MET 73 -9.576 -8.216 0.784 532 HA MET 73 HA MET 73 -10.301 -9.369 3.386 533 HB2 MET 73 HB2 MET 73 -7.644 -8.337 2.493 534 HB3 MET 73 HB3 MET 73 -8.148 -8.023 4.160 535 HG2 MET 73 HG2 MET 73 -8.695 -10.651 4.030 536 HG3 MET 73 HG3 MET 73 -7.376 -10.554 2.862 537 HE1 MET 73 HE1 MET 73 -4.527 -8.981 4.737 538 HE2 MET 73 HE2 MET 73 -5.691 -8.535 3.488 539 HE3 MET 73 HE3 MET 73 -5.805 -7.819 5.097 540 H SER 74 H SER 74 -10.322 -7.663 5.128 541 HA SER 74 HA SER 74 -11.832 -5.401 4.160 542 HB2 SER 74 HB2 SER 74 -11.699 -4.934 6.806 543 HB3 SER 74 HB3 SER 74 -12.836 -6.094 6.094 544 HG SER 74 HG SER 74 -11.866 -7.314 7.567 545 H ASN 75 H ASN 75 -11.385 -3.194 4.796 546 HA ASN 75 HA ASN 75 -8.854 -2.309 4.108 547 HB2 ASN 75 HB2 ASN 75 -11.076 -0.996 5.672 548 HB3 ASN 75 HB3 ASN 75 -9.582 -0.142 5.273 549 HD21 ASN 75 HD21 ASN 75 -9.007 -0.873 2.779 550 HD22 ASN 75 HD22 ASN 75 -10.266 -0.414 1.687 551 H GLU 76 H GLU 76 -10.238 -2.755 7.347 552 HA GLU 76 HA GLU 76 -8.138 -1.782 8.869 553 HB2 GLU 76 HB2 GLU 76 -8.936 -3.368 10.644 554 HB3 GLU 76 HB3 GLU 76 -10.196 -2.343 9.941 555 HG2 GLU 76 HG2 GLU 76 -10.792 -4.260 8.429 556 HG3 GLU 76 HG3 GLU 76 -9.689 -5.253 9.390 557 H GLU 77 H GLU 77 -8.641 -5.086 7.659 558 HA GLU 77 HA GLU 77 -6.374 -6.254 8.793 559 HB2 GLU 77 HB2 GLU 77 -7.824 -6.901 6.218 560 HB3 GLU 77 HB3 GLU 77 -6.576 -7.929 6.938 561 HG2 GLU 77 HG2 GLU 77 -7.968 -8.129 8.981 562 HG3 GLU 77 HG3 GLU 77 -9.236 -7.216 8.150 563 H ILE 78 H ILE 78 -6.775 -4.960 5.494 564 HA ILE 78 HA ILE 78 -4.129 -5.308 4.671 565 HB ILE 78 HB ILE 78 -6.054 -3.157 3.784 566 HG12 ILE 78 HG12 ILE 78 -5.508 -5.716 2.314 567 HG13 ILE 78 HG13 ILE 78 -6.685 -5.693 3.638 568 HG21 ILE 78 HG21 ILE 78 -3.453 -4.156 2.690 569 HG22 ILE 78 HG22 ILE 78 -4.663 -3.430 1.633 570 HG23 ILE 78 HG23 ILE 78 -3.981 -2.496 2.965 571 HD11 ILE 78 HD11 ILE 78 -7.221 -5.126 1.011 572 HD12 ILE 78 HD12 ILE 78 -8.238 -4.707 2.391 573 HD13 ILE 78 HD13 ILE 78 -7.095 -3.528 1.746 574 H ASN 79 H ASN 79 -5.663 -2.695 6.454 575 HA ASN 79 HA ASN 79 -3.569 -0.821 6.276 576 HB2 ASN 79 HB2 ASN 79 -5.171 0.396 7.246 577 HB3 ASN 79 HB3 ASN 79 -6.075 -1.064 7.666 578 HD21 ASN 79 HD21 ASN 79 -6.342 -1.487 9.733 579 HD22 ASN 79 HD22 ASN 79 -5.404 -0.839 11.032 580 H GLU 80 H GLU 80 -4.310 -3.290 8.718 581 HA GLU 80 HA GLU 80 -2.051 -2.672 10.346 582 HB2 GLU 80 HB2 GLU 80 -2.822 -4.266 11.778 583 HB3 GLU 80 HB3 GLU 80 -4.306 -3.997 10.848 584 HG2 GLU 80 HG2 GLU 80 -4.239 -6.271 10.811 585 HG3 GLU 80 HG3 GLU 80 -3.324 -5.911 9.341 586 H GLU 81 H GLU 81 -2.595 -4.696 7.583 587 HA GLU 81 HA GLU 81 -0.354 -6.408 7.909 588 HB2 GLU 81 HB2 GLU 81 -2.248 -6.973 6.454 589 HB3 GLU 81 HB3 GLU 81 -1.829 -5.622 5.389 590 HG2 GLU 81 HG2 GLU 81 -1.100 -7.873 4.581 591 HG3 GLU 81 HG3 GLU 81 0.181 -6.661 4.701 592 H LEU 82 H LEU 82 -0.872 -3.543 5.851 593 HA LEU 82 HA LEU 82 1.903 -3.437 5.098 594 HB2 LEU 82 HB2 LEU 82 -0.250 -1.353 4.707 595 HB3 LEU 82 HB3 LEU 82 1.303 -1.455 3.862 596 HG LEU 82 HG LEU 82 -0.433 -3.816 3.571 597 HD11 LEU 82 HD11 LEU 82 -2.100 -2.020 3.531 598 HD12 LEU 82 HD12 LEU 82 -1.900 -2.767 1.947 599 HD13 LEU 82 HD13 LEU 82 -1.174 -1.195 2.277 600 HD21 LEU 82 HD21 LEU 82 1.344 -3.981 2.172 601 HD22 LEU 82 HD22 LEU 82 1.519 -2.234 2.004 602 HD23 LEU 82 HD23 LEU 82 0.265 -3.086 1.102 603 H GLY 83 H GLY 83 -0.144 -1.954 7.500 604 HA2 GLY 83 HA2 GLY 83 0.607 -0.944 9.477 605 HA3 GLY 83 HA3 GLY 83 2.214 -0.820 8.780 606 H ILE 84 H ILE 84 -0.684 0.279 7.146 607 HA ILE 84 HA ILE 84 0.348 3.025 7.320 608 HB ILE 84 HB ILE 84 -0.989 3.513 5.333 609 HG12 ILE 84 HG12 ILE 84 -1.712 0.573 5.441 610 HG13 ILE 84 HG13 ILE 84 -2.819 1.924 5.737 611 HG21 ILE 84 HG21 ILE 84 0.591 2.739 3.927 612 HG22 ILE 84 HG22 ILE 84 1.351 2.171 5.413 613 HG23 ILE 84 HG23 ILE 84 0.379 1.066 4.442 614 HD11 ILE 84 HD11 ILE 84 -2.258 0.666 3.292 615 HD12 ILE 84 HD12 ILE 84 -3.280 2.075 3.583 616 HD13 ILE 84 HD13 ILE 84 -1.572 2.287 3.197 617 H GLY 85 H GLY 85 -1.737 4.571 6.775 618 HA2 GLY 85 HA2 GLY 85 -3.650 3.974 8.947 619 HA3 GLY 85 HA3 GLY 85 -3.090 5.592 8.555 620 H GLN 86 H GLN 86 -4.558 2.842 6.818 621 HA GLN 86 HA GLN 86 -5.779 4.270 4.798 622 HB2 GLN 86 HB2 GLN 86 -5.949 1.617 5.899 623 HB3 GLN 86 HB3 GLN 86 -7.568 2.197 5.475 624 HG2 GLN 86 HG2 GLN 86 -7.002 2.498 3.213 625 HG3 GLN 86 HG3 GLN 86 -5.272 2.365 3.555 626 HE21 GLN 86 HE21 GLN 86 -4.427 0.542 2.882 627 HE22 GLN 86 HE22 GLN 86 -5.209 -0.998 2.840 628 H ASP 87 H ASP 87 -8.062 4.791 4.471 629 HA ASP 87 HA ASP 87 -9.121 6.187 6.788 630 HB2 ASP 87 HB2 ASP 87 -8.947 6.998 4.265 631 HB3 ASP 87 HB3 ASP 87 -10.516 6.192 4.148 632 H GLU 88 H GLU 88 -9.322 3.605 7.368 633 HA GLU 88 HA GLU 88 -11.583 2.220 6.469 634 HB2 GLU 88 HB2 GLU 88 -11.414 1.007 8.686 635 HB3 GLU 88 HB3 GLU 88 -9.956 1.001 7.684 636 HG2 GLU 88 HG2 GLU 88 -8.774 1.858 9.343 637 HG3 GLU 88 HG3 GLU 88 -9.841 3.269 9.382 638 H ALA 89 H ALA 89 -11.186 4.615 9.018 639 HA ALA 89 HA ALA 89 -12.676 5.712 10.352 640 HB1 ALA 89 HB1 ALA 89 -14.719 6.471 9.256 641 HB2 ALA 89 HB2 ALA 89 -13.331 6.609 8.177 642 HB3 ALA 89 HB3 ALA 89 -14.480 5.286 7.972 643 H ASP 90 H ASP 90 -12.550 2.796 10.599 644 HA ASP 90 HA ASP 90 -15.301 2.117 11.349 645 HB2 ASP 90 HB2 ASP 90 -13.855 0.559 9.939 646 HB3 ASP 90 HB3 ASP 90 -12.911 0.277 11.409 647 H ALA 91 H ALA 91 -12.179 2.832 12.686 648 HA ALA 91 HA ALA 91 -11.466 3.183 14.818 649 HB1 ALA 91 HB1 ALA 91 -13.047 3.857 16.479 650 HB2 ALA 91 HB2 ALA 91 -13.576 4.509 14.927 651 HB3 ALA 91 HB3 ALA 91 -14.372 3.087 15.605 652 H TYR 92 H TYR 92 -12.292 0.414 13.714 653 HA TYR 92 HA TYR 92 -12.252 -1.756 14.398 654 HB2 TYR 92 HB2 TYR 92 -10.191 -0.447 15.672 655 HB3 TYR 92 HB3 TYR 92 -11.026 -1.234 17.012 656 HD1 TYR 92 HD2 TYR 92 -10.227 -2.269 13.505 657 HD2 TYR 92 HD1 TYR 92 -9.984 -3.184 17.653 658 HE1 TYR 92 HE2 TYR 92 -9.129 -4.403 12.964 659 HE2 TYR 92 HE1 TYR 92 -8.885 -5.318 17.125 660 HH TYR 92 HH TYR 92 -8.601 -6.475 13.840 661 H ASP 93 H ASP 93 -12.560 -3.116 16.658 662 HA ASP 93 HA ASP 93 -14.376 -2.154 18.555 663 HB2 ASP 93 HB2 ASP 93 -15.590 -2.585 16.045 664 HB3 ASP 93 HB3 ASP 93 -16.080 -3.942 17.068 665 H CYS 94 H CYS 94 -14.394 -3.537 20.217 666 HA CYS 94 HA CYS 94 -14.443 -6.363 19.944 667 HB2 CYS 94 HB2 CYS 94 -12.235 -6.911 20.787 668 HB3 CYS 94 HB3 CYS 94 -12.090 -5.973 19.300 669 H ASP 95 H ASP 95 -13.904 -7.411 22.166 670 HA ASP 95 HA ASP 95 -15.339 -5.850 24.166 671 HB2 ASP 95 HB2 ASP 95 -14.931 -8.702 23.594 672 HB3 ASP 95 HB3 ASP 95 -14.841 -8.299 25.314 673 H ALA 96 H ALA 96 -12.175 -7.185 23.554 674 HA ALA 96 HA ALA 96 -11.065 -7.113 26.102 675 HB1 ALA 96 HB1 ALA 96 -9.382 -7.927 24.906 676 HB2 ALA 96 HB2 ALA 96 -10.114 -7.351 23.409 677 HB3 ALA 96 HB3 ALA 96 -9.045 -6.295 24.332 678 H ALA 97 H ALA 97 -11.915 -4.524 23.971 679 HA ALA 97 HA ALA 97 -10.254 -2.472 24.782 680 HB1 ALA 97 HB1 ALA 97 -12.017 -2.417 22.974 681 HB2 ALA 97 HB2 ALA 97 -13.191 -2.101 24.251 682 HB3 ALA 97 HB3 ALA 97 -11.877 -0.961 23.959 683 H LYS 98 H LYS 98 -12.910 -3.958 26.479 684 HA LYS 98 HA LYS 98 -12.234 -2.392 28.849 685 HB2 LYS 98 HB2 LYS 98 -14.561 -1.915 29.371 686 HB3 LYS 98 HB3 LYS 98 -14.129 -1.219 27.802 687 HG2 LYS 98 HG2 LYS 98 -15.407 -3.924 27.931 688 HG3 LYS 98 HG3 LYS 98 -16.389 -2.456 28.078 689 HD2 LYS 98 HD2 LYS 98 -15.049 -1.717 25.931 690 HD3 LYS 98 HD3 LYS 98 -14.825 -3.465 25.748 691 HE2 LYS 98 HE2 LYS 98 -17.187 -3.853 25.686 692 HE3 LYS 98 HE3 LYS 98 -17.518 -2.177 26.150 693 HZ1 LYS 98 HZ1 LYS 98 -16.043 -1.869 23.919 694 HZ2 LYS 98 HZ2 LYS 98 -17.734 -1.855 23.963 695 HZ3 LYS 98 HZ3 LYS 98 -16.911 -3.275 23.555 696 H ARG 99 H ARG 99 -13.684 -3.291 30.757 697 HA ARG 99 HA ARG 99 -13.014 -6.063 30.978 698 HB2 ARG 99 HB2 ARG 99 -13.934 -3.916 32.742 699 HB3 ARG 99 HB3 ARG 99 -14.628 -5.495 33.142 700 HG2 ARG 99 HG2 ARG 99 -11.833 -5.826 32.652 701 HG3 ARG 99 HG3 ARG 99 -12.075 -4.496 33.797 702 HD2 ARG 99 HD2 ARG 99 -13.636 -6.047 35.073 703 HD3 ARG 99 HD3 ARG 99 -13.019 -7.343 34.039 704 HE ARG 99 HE ARG 99 -10.759 -6.255 35.027 705 HH11 ARG 99 HH11 ARG 99 -13.702 -7.364 36.521 706 HH12 ARG 99 HH12 ARG 99 -12.930 -7.827 38.002 707 HH21 ARG 99 HH21 ARG 99 -9.731 -6.860 36.971 708 HH22 ARG 99 HH22 ARG 99 -10.672 -7.538 38.257 709 H GLY 100 H GLY 100 -16.063 -4.241 30.827 710 HA2 GLY 100 HA2 GLY 100 -18.177 -4.892 30.214 711 HA3 GLY 100 HA3 GLY 100 -17.583 -5.703 29.374 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -40.159 18.328 12.595 2 HA2 GLY 1 HA2 GLY 1 -39.546 16.313 14.470 3 HA3 GLY 1 HA3 GLY 1 -39.271 15.689 12.851 4 H SER 2 H SER 2 -37.155 15.784 14.497 5 HA SER 2 HA SER 2 -35.279 17.309 13.079 6 HB2 SER 2 HB2 SER 2 -34.702 18.679 15.341 7 HB3 SER 2 HB3 SER 2 -35.709 19.331 14.035 8 HG SER 2 HG SER 2 -36.599 19.436 16.241 9 H ARG 3 H ARG 3 -34.245 15.303 13.115 10 HA ARG 3 HA ARG 3 -33.038 14.587 15.706 11 HB2 ARG 3 HB2 ARG 3 -33.757 12.730 13.426 12 HB3 ARG 3 HB3 ARG 3 -32.977 12.254 14.943 13 HG2 ARG 3 HG2 ARG 3 -34.976 13.009 16.185 14 HG3 ARG 3 HG3 ARG 3 -35.759 13.362 14.635 15 HD2 ARG 3 HD2 ARG 3 -36.426 11.243 14.480 16 HD3 ARG 3 HD3 ARG 3 -34.733 10.730 14.481 17 HE ARG 3 HE ARG 3 -35.486 11.221 17.126 18 HH11 ARG 3 HH11 ARG 3 -36.211 9.009 14.537 19 HH12 ARG 3 HH12 ARG 3 -36.619 7.699 15.595 20 HH21 ARG 3 HH21 ARG 3 -36.022 9.504 18.530 21 HH22 ARG 3 HH22 ARG 3 -36.512 7.982 17.866 22 H ARG 4 H ARG 4 -30.990 15.249 15.677 23 HA ARG 4 HA ARG 4 -29.269 14.388 13.492 24 HB2 ARG 4 HB2 ARG 4 -29.411 17.276 14.394 25 HB3 ARG 4 HB3 ARG 4 -28.258 16.609 13.230 26 HG2 ARG 4 HG2 ARG 4 -30.150 16.010 11.742 27 HG3 ARG 4 HG3 ARG 4 -31.240 16.816 12.881 28 HD2 ARG 4 HD2 ARG 4 -28.867 18.274 11.749 29 HD3 ARG 4 HD3 ARG 4 -30.368 18.126 10.823 30 HE ARG 4 HE ARG 4 -29.920 19.774 13.137 31 HH11 ARG 4 HH11 ARG 4 -32.305 18.143 11.195 32 HH12 ARG 4 HH12 ARG 4 -33.603 19.182 11.683 33 HH21 ARG 4 HH21 ARG 4 -31.619 21.149 13.787 34 HH22 ARG 4 HH22 ARG 4 -33.212 20.892 13.157 35 H ALA 5 H ALA 5 -27.413 13.611 14.260 36 HA ALA 5 HA ALA 5 -25.959 14.748 16.402 37 HB1 ALA 5 HB1 ALA 5 -26.218 12.618 17.874 38 HB2 ALA 5 HB2 ALA 5 -27.418 13.907 17.978 39 HB3 ALA 5 HB3 ALA 5 -27.762 12.454 17.038 40 H SER 6 H SER 6 -24.012 13.522 16.922 41 HA SER 6 HA SER 6 -23.358 11.175 15.414 42 HB2 SER 6 HB2 SER 6 -21.355 12.439 14.299 43 HB3 SER 6 HB3 SER 6 -22.958 12.511 13.548 44 HG SER 6 HG SER 6 -22.697 14.589 13.696 45 H VAL 7 H VAL 7 -21.592 10.127 16.233 46 HA VAL 7 HA VAL 7 -19.794 11.519 18.050 47 HB VAL 7 HB VAL 7 -20.106 9.758 19.812 48 HG11 VAL 7 HG11 VAL 7 -22.677 11.246 19.456 49 HG12 VAL 7 HG12 VAL 7 -21.737 10.968 20.924 50 HG13 VAL 7 HG13 VAL 7 -21.170 12.123 19.717 51 HG21 VAL 7 HG21 VAL 7 -22.680 9.193 18.343 52 HG22 VAL 7 HG22 VAL 7 -21.269 8.134 18.334 53 HG23 VAL 7 HG23 VAL 7 -22.125 8.447 19.843 54 H GLY 8 H GLY 8 -18.128 9.878 18.941 55 HA2 GLY 8 HA2 GLY 8 -17.662 7.519 17.376 56 HA3 GLY 8 HA3 GLY 8 -16.617 8.849 16.903 57 H SER 9 H SER 9 -15.136 6.951 17.650 58 HA SER 9 HA SER 9 -14.349 7.570 20.409 59 HB2 SER 9 HB2 SER 9 -13.662 5.067 20.546 60 HB3 SER 9 HB3 SER 9 -15.367 5.493 20.771 61 HG SER 9 HG SER 9 -15.589 5.051 18.453 62 H GLU 10 H GLU 10 -12.154 7.586 20.798 63 HA GLU 10 HA GLU 10 -10.476 7.570 18.400 64 HB2 GLU 10 HB2 GLU 10 -10.648 9.266 20.653 65 HB3 GLU 10 HB3 GLU 10 -9.090 8.433 20.769 66 HG2 GLU 10 HG2 GLU 10 -9.466 9.287 18.071 67 HG3 GLU 10 HG3 GLU 10 -9.774 10.646 19.162 68 H PHE 11 H PHE 11 -9.260 5.862 17.982 69 HA PHE 11 HA PHE 11 -7.564 4.620 19.839 70 HB2 PHE 11 HB2 PHE 11 -9.550 3.652 20.810 71 HB3 PHE 11 HB3 PHE 11 -10.113 3.119 19.225 72 HD1 PHE 11 HD2 PHE 11 -7.701 2.482 21.907 73 HD2 PHE 11 HD1 PHE 11 -9.224 1.163 18.158 74 HE1 PHE 11 HE2 PHE 11 -6.557 0.325 22.206 75 HE2 PHE 11 HE1 PHE 11 -8.083 -0.996 18.451 76 HZ PHE 11 HZ PHE 11 -6.746 -1.418 20.475 77 H MET 12 H MET 12 -6.092 3.285 18.842 78 HA MET 12 HA MET 12 -6.608 2.372 16.125 79 HB2 MET 12 HB2 MET 12 -4.744 3.445 15.130 80 HB3 MET 12 HB3 MET 12 -5.622 4.702 16.016 81 HG2 MET 12 HG2 MET 12 -3.880 3.924 17.924 82 HG3 MET 12 HG3 MET 12 -2.935 3.590 16.472 83 HE1 MET 12 HE1 MET 12 -1.232 5.112 17.490 84 HE2 MET 12 HE2 MET 12 -1.270 6.874 17.421 85 HE3 MET 12 HE3 MET 12 -2.073 6.025 18.744 86 H VAL 13 H VAL 13 -4.685 1.068 15.303 87 HA VAL 13 HA VAL 13 -3.933 -0.790 17.390 88 HB VAL 13 HB VAL 13 -2.971 -2.135 15.551 89 HG11 VAL 13 HG11 VAL 13 -5.465 -2.070 16.237 90 HG12 VAL 13 HG12 VAL 13 -5.704 -1.272 14.681 91 HG13 VAL 13 HG13 VAL 13 -5.011 -2.894 14.745 92 HG21 VAL 13 HG21 VAL 13 -2.336 -1.122 13.679 93 HG22 VAL 13 HG22 VAL 13 -4.035 -0.870 13.281 94 HG23 VAL 13 HG23 VAL 13 -3.143 0.371 14.160 95 H VAL 14 H VAL 14 -1.565 -1.772 16.874 96 HA VAL 14 HA VAL 14 0.324 0.484 16.795 97 HB VAL 14 HB VAL 14 1.666 -0.767 18.550 98 HG11 VAL 14 HG11 VAL 14 -0.086 -0.020 20.394 99 HG12 VAL 14 HG12 VAL 14 0.789 1.156 19.410 100 HG13 VAL 14 HG13 VAL 14 -0.868 0.717 18.995 101 HG21 VAL 14 HG21 VAL 14 0.911 -2.643 19.493 102 HG22 VAL 14 HG22 VAL 14 -0.706 -1.977 19.716 103 HG23 VAL 14 HG23 VAL 14 -0.260 -2.710 18.175 104 H ASP 15 H ASP 15 1.483 0.157 15.010 105 HA ASP 15 HA ASP 15 2.865 -2.394 14.695 106 HB2 ASP 15 HB2 ASP 15 2.293 -2.601 12.339 107 HB3 ASP 15 HB3 ASP 15 0.818 -2.578 13.317 108 H VAL 16 H VAL 16 4.909 -2.173 13.969 109 HA VAL 16 HA VAL 16 5.714 0.292 12.628 110 HB VAL 16 HB VAL 16 7.206 -0.687 15.061 111 HG11 VAL 16 HG11 VAL 16 8.141 0.791 13.014 112 HG12 VAL 16 HG12 VAL 16 7.501 2.067 14.053 113 HG13 VAL 16 HG13 VAL 16 8.713 0.948 14.675 114 HG21 VAL 16 HG21 VAL 16 5.318 1.656 14.846 115 HG22 VAL 16 HG22 VAL 16 4.999 0.155 15.717 116 HG23 VAL 16 HG23 VAL 16 6.290 1.231 16.256 117 H THR 17 H THR 17 5.610 -1.762 11.126 118 HA THR 17 HA THR 17 8.369 -2.521 10.671 119 HB THR 17 HB THR 17 7.677 -4.962 10.358 120 HG1 THR 17 HG1 THR 17 5.590 -4.170 12.132 121 HG21 THR 17 HG21 THR 17 7.597 -3.990 13.209 122 HG22 THR 17 HG22 THR 17 9.072 -4.017 12.243 123 HG23 THR 17 HG23 THR 17 8.225 -5.521 12.601 124 H ILE 18 H ILE 18 8.640 -1.976 8.613 125 HA ILE 18 HA ILE 18 6.469 -1.878 6.746 126 HB ILE 18 HB ILE 18 9.388 -1.685 6.040 127 HG12 ILE 18 HG12 ILE 18 9.026 -0.206 7.929 128 HG13 ILE 18 HG13 ILE 18 9.189 0.751 6.448 129 HG21 ILE 18 HG21 ILE 18 6.827 -1.093 4.723 130 HG22 ILE 18 HG22 ILE 18 8.074 0.138 4.535 131 HG23 ILE 18 HG23 ILE 18 8.391 -1.521 4.029 132 HD11 ILE 18 HD11 ILE 18 7.042 0.711 8.324 133 HD12 ILE 18 HD12 ILE 18 7.287 1.763 6.929 134 HD13 ILE 18 HD13 ILE 18 6.448 0.224 6.738 135 H GLU 19 H GLU 19 6.370 -3.025 4.728 136 HA GLU 19 HA GLU 19 7.987 -5.195 4.031 137 HB2 GLU 19 HB2 GLU 19 6.298 -7.035 4.583 138 HB3 GLU 19 HB3 GLU 19 7.288 -6.416 5.913 139 HG2 GLU 19 HG2 GLU 19 5.535 -5.433 6.976 140 HG3 GLU 19 HG3 GLU 19 4.658 -5.133 5.468 141 H ASP 20 H ASP 20 7.524 -3.935 2.109 142 HA ASP 20 HA ASP 20 5.316 -5.070 0.627 143 HB2 ASP 20 HB2 ASP 20 4.244 -3.038 0.016 144 HB3 ASP 20 HB3 ASP 20 4.407 -3.002 1.775 145 H SER 21 H SER 21 5.332 -3.788 -1.662 146 HA SER 21 HA SER 21 6.452 -3.576 -3.632 147 HB2 SER 21 HB2 SER 21 8.988 -2.641 -2.460 148 HB3 SER 21 HB3 SER 21 7.922 -1.857 -3.641 149 HG SER 21 HG SER 21 8.139 -0.884 -1.438 150 H TYR 22 H TYR 22 8.847 -4.001 -4.607 151 HA TYR 22 HA TYR 22 10.255 -5.655 -5.288 152 HB2 TYR 22 HB2 TYR 22 10.375 -6.190 -2.308 153 HB3 TYR 22 HB3 TYR 22 11.519 -6.809 -3.501 154 HD1 TYR 22 HD2 TYR 22 12.533 -4.872 -5.086 155 HD2 TYR 22 HD1 TYR 22 11.064 -4.319 -1.130 156 HE1 TYR 22 HE2 TYR 22 13.907 -2.844 -4.864 157 HE2 TYR 22 HE1 TYR 22 12.434 -2.290 -0.899 158 HH TYR 22 HH TYR 22 13.732 -0.811 -1.973 159 H SER 23 H SER 23 10.772 -8.190 -4.655 160 HA SER 23 HA SER 23 8.159 -9.541 -4.540 161 HB2 SER 23 HB2 SER 23 10.073 -10.973 -6.190 162 HB3 SER 23 HB3 SER 23 8.424 -10.449 -6.576 163 HG SER 23 HG SER 23 10.617 -9.472 -7.567 164 H THR 24 H THR 24 8.122 -10.785 -2.799 165 HA THR 24 HA THR 24 10.525 -12.348 -2.133 166 HB THR 24 HB THR 24 8.695 -11.330 0.020 167 HG1 THR 24 HG1 THR 24 9.591 -9.413 -0.071 168 HG21 THR 24 HG21 THR 24 11.605 -12.145 0.003 169 HG22 THR 24 HG22 THR 24 10.260 -13.141 0.560 170 HG23 THR 24 HG23 THR 24 10.673 -11.659 1.419 171 H GLU 25 H GLU 25 7.154 -12.075 -0.988 172 HA GLU 25 HA GLU 25 6.745 -14.891 -1.694 173 HB2 GLU 25 HB2 GLU 25 7.268 -15.085 0.599 174 HB3 GLU 25 HB3 GLU 25 6.332 -13.641 1.012 175 HG2 GLU 25 HG2 GLU 25 4.387 -14.758 1.145 176 HG3 GLU 25 HG3 GLU 25 4.784 -15.804 -0.225 177 H SER 26 H SER 26 5.313 -11.820 -0.695 178 HA SER 26 HA SER 26 3.199 -12.102 -2.611 179 HB2 SER 26 HB2 SER 26 1.347 -11.915 -0.938 180 HB3 SER 26 HB3 SER 26 2.210 -13.461 -0.872 181 HG SER 26 HG SER 26 1.855 -11.710 1.086 182 H ALA 27 H ALA 27 2.238 -10.158 -3.104 183 HA ALA 27 HA ALA 27 3.012 -7.828 -1.484 184 HB1 ALA 27 HB1 ALA 27 2.888 -7.153 -4.281 185 HB2 ALA 27 HB2 ALA 27 4.193 -6.903 -3.121 186 HB3 ALA 27 HB3 ALA 27 4.070 -8.430 -3.994 187 H TRP 28 H TRP 28 1.718 -5.850 -2.123 188 HA TRP 28 HA TRP 28 -1.077 -6.663 -2.512 189 HB2 TRP 28 HB2 TRP 28 0.228 -4.341 -1.103 190 HB3 TRP 28 HB3 TRP 28 -1.469 -4.267 -1.583 191 HD1 TRP 28 HD1 TRP 28 0.666 -5.421 1.201 192 HE1 TRP 28 HE1 TRP 28 -0.704 -6.823 2.870 193 HE3 TRP 28 HE3 TRP 28 -3.528 -6.177 -1.623 194 HZ2 TRP 28 HZ2 TRP 28 -3.228 -8.082 2.975 195 HZ3 TRP 28 HZ3 TRP 28 -5.374 -7.491 -0.664 196 HH2 TRP 28 HH2 TRP 28 -5.224 -8.425 1.587 197 H VAL 29 H VAL 29 -2.333 -5.809 -4.100 198 HA VAL 29 HA VAL 29 -1.156 -3.748 -5.834 199 HB VAL 29 HB VAL 29 -2.167 -4.996 -7.801 200 HG11 VAL 29 HG11 VAL 29 0.039 -6.570 -6.521 201 HG12 VAL 29 HG12 VAL 29 -0.183 -6.143 -8.220 202 HG13 VAL 29 HG13 VAL 29 0.297 -4.908 -7.054 203 HG21 VAL 29 HG21 VAL 29 -2.620 -7.323 -7.607 204 HG22 VAL 29 HG22 VAL 29 -2.050 -7.359 -5.937 205 HG23 VAL 29 HG23 VAL 29 -3.542 -6.511 -6.341 206 H ARG 30 H ARG 30 -2.568 -2.260 -6.624 207 HA ARG 30 HA ARG 30 -5.357 -2.509 -5.725 208 HB2 ARG 30 HB2 ARG 30 -4.044 -0.596 -4.835 209 HB3 ARG 30 HB3 ARG 30 -3.835 -0.012 -6.492 210 HG2 ARG 30 HG2 ARG 30 -6.579 -0.360 -6.249 211 HG3 ARG 30 HG3 ARG 30 -6.071 0.317 -4.692 212 HD2 ARG 30 HD2 ARG 30 -6.616 2.137 -6.169 213 HD3 ARG 30 HD3 ARG 30 -4.866 2.109 -5.917 214 HE ARG 30 HE ARG 30 -5.739 0.679 -8.261 215 HH11 ARG 30 HH11 ARG 30 -4.750 3.753 -6.958 216 HH12 ARG 30 HH12 ARG 30 -4.248 4.388 -8.489 217 HH21 ARG 30 HH21 ARG 30 -5.083 1.505 -10.284 218 HH22 ARG 30 HH22 ARG 30 -4.439 3.109 -10.381 219 H CYS 31 H CYS 31 -7.043 -2.249 -7.130 220 HA CYS 31 HA CYS 31 -6.488 -2.694 -9.910 221 HB2 CYS 31 HB2 CYS 31 -8.382 -3.769 -8.724 222 HB3 CYS 31 HB3 CYS 31 -9.137 -2.184 -8.539 223 H ASP 32 H ASP 32 -6.709 -1.318 -11.607 224 HA ASP 32 HA ASP 32 -6.987 1.520 -10.942 225 HB2 ASP 32 HB2 ASP 32 -5.002 0.525 -12.268 226 HB3 ASP 32 HB3 ASP 32 -6.140 0.437 -13.619 227 H ASP 33 H ASP 33 -9.329 -0.103 -11.001 228 HA ASP 33 HA ASP 33 -10.815 1.341 -13.058 229 HB2 ASP 33 HB2 ASP 33 -10.210 -0.934 -13.961 230 HB3 ASP 33 HB3 ASP 33 -11.184 -1.631 -12.660 231 H CYS 34 H CYS 34 -10.926 -0.802 -10.244 232 HA CYS 34 HA CYS 34 -13.422 0.536 -9.424 233 HB2 CYS 34 HB2 CYS 34 -14.070 -1.472 -8.253 234 HB3 CYS 34 HB3 CYS 34 -13.688 -1.884 -9.927 235 H PHE 35 H PHE 35 -10.161 0.045 -8.726 236 HA PHE 35 HA PHE 35 -8.816 0.674 -7.004 237 HB2 PHE 35 HB2 PHE 35 -11.218 2.369 -6.719 238 HB3 PHE 35 HB3 PHE 35 -10.243 2.208 -5.256 239 HD1 PHE 35 HD2 PHE 35 -9.308 2.458 -8.857 240 HD2 PHE 35 HD1 PHE 35 -8.999 4.114 -4.949 241 HE1 PHE 35 HE2 PHE 35 -7.728 4.145 -9.701 242 HE2 PHE 35 HE1 PHE 35 -7.420 5.804 -5.785 243 HZ PHE 35 HZ PHE 35 -6.781 5.820 -8.164 244 H LYS 36 H LYS 36 -8.889 -1.600 -6.384 245 HA LYS 36 HA LYS 36 -9.907 -1.888 -3.660 246 HB2 LYS 36 HB2 LYS 36 -11.377 -2.942 -5.654 247 HB3 LYS 36 HB3 LYS 36 -10.239 -4.274 -5.390 248 HG2 LYS 36 HG2 LYS 36 -11.912 -4.881 -3.961 249 HG3 LYS 36 HG3 LYS 36 -10.891 -3.921 -2.874 250 HD2 LYS 36 HD2 LYS 36 -12.304 -1.982 -3.156 251 HD3 LYS 36 HD3 LYS 36 -13.270 -2.830 -4.377 252 HE2 LYS 36 HE2 LYS 36 -13.502 -4.584 -2.349 253 HE3 LYS 36 HE3 LYS 36 -13.284 -3.088 -1.429 254 HZ1 LYS 36 HZ1 LYS 36 -15.095 -2.394 -3.327 255 HZ2 LYS 36 HZ2 LYS 36 -15.458 -2.808 -1.727 256 HZ3 LYS 36 HZ3 LYS 36 -15.550 -3.979 -2.945 257 H TRP 37 H TRP 37 -8.626 -3.114 -2.344 258 HA TRP 37 HA TRP 37 -5.958 -3.617 -3.214 259 HB2 TRP 37 HB2 TRP 37 -7.478 -3.922 -0.658 260 HB3 TRP 37 HB3 TRP 37 -5.958 -4.802 -0.833 261 HD1 TRP 37 HD1 TRP 37 -6.987 -1.813 0.719 262 HE1 TRP 37 HE1 TRP 37 -5.157 -0.003 0.756 263 HE3 TRP 37 HE3 TRP 37 -3.886 -3.720 -2.870 264 HZ2 TRP 37 HZ2 TRP 37 -2.721 0.543 -0.561 265 HZ3 TRP 37 HZ3 TRP 37 -1.826 -2.493 -3.422 266 HH2 TRP 37 HH2 TRP 37 -1.258 -0.405 -2.291 267 H ARG 38 H ARG 38 -4.940 -5.510 -3.689 268 HA ARG 38 HA ARG 38 -6.446 -8.010 -3.469 269 HB2 ARG 38 HB2 ARG 38 -6.173 -6.619 -5.883 270 HB3 ARG 38 HB3 ARG 38 -4.973 -7.918 -5.962 271 HG2 ARG 38 HG2 ARG 38 -6.795 -8.966 -6.872 272 HG3 ARG 38 HG3 ARG 38 -6.965 -9.411 -5.166 273 HD2 ARG 38 HD2 ARG 38 -8.583 -7.636 -4.812 274 HD3 ARG 38 HD3 ARG 38 -8.348 -7.071 -6.471 275 HE ARG 38 HE ARG 38 -9.146 -9.775 -6.499 276 HH11 ARG 38 HH11 ARG 38 -10.386 -6.585 -5.859 277 HH12 ARG 38 HH12 ARG 38 -12.013 -6.989 -6.293 278 HH21 ARG 38 HH21 ARG 38 -11.285 -10.318 -7.074 279 HH22 ARG 38 HH22 ARG 38 -12.525 -9.113 -6.984 280 H ARG 39 H ARG 39 -5.228 -9.541 -2.587 281 HA ARG 39 HA ARG 39 -2.374 -9.116 -2.301 282 HB2 ARG 39 HB2 ARG 39 -3.960 -9.932 -0.462 283 HB3 ARG 39 HB3 ARG 39 -3.928 -11.492 -1.298 284 HG2 ARG 39 HG2 ARG 39 -1.280 -11.019 -1.108 285 HG3 ARG 39 HG3 ARG 39 -1.865 -10.186 0.343 286 HD2 ARG 39 HD2 ARG 39 -3.244 -12.403 0.688 287 HD3 ARG 39 HD3 ARG 39 -1.995 -13.080 -0.365 288 HE ARG 39 HE ARG 39 -0.769 -11.603 1.690 289 HH11 ARG 39 HH11 ARG 39 -2.552 -14.550 1.184 290 HH12 ARG 39 HH12 ARG 39 -1.817 -15.378 2.518 291 HH21 ARG 39 HH21 ARG 39 0.205 -12.682 3.449 292 HH22 ARG 39 HH22 ARG 39 -0.250 -14.314 3.805 293 H ILE 40 H ILE 40 -0.901 -9.951 -3.613 294 HA ILE 40 HA ILE 40 -1.559 -12.403 -5.103 295 HB ILE 40 HB ILE 40 -0.535 -11.597 -7.084 296 HG12 ILE 40 HG12 ILE 40 0.300 -9.204 -5.429 297 HG13 ILE 40 HG13 ILE 40 1.363 -10.428 -6.142 298 HG21 ILE 40 HG21 ILE 40 -1.918 -9.695 -7.673 299 HG22 ILE 40 HG22 ILE 40 -2.835 -10.830 -6.685 300 HG23 ILE 40 HG23 ILE 40 -2.205 -9.348 -5.968 301 HD11 ILE 40 HD11 ILE 40 1.500 -8.461 -7.477 302 HD12 ILE 40 HD12 ILE 40 0.616 -9.683 -8.393 303 HD13 ILE 40 HD13 ILE 40 -0.256 -8.366 -7.611 304 HA PRO 41 HA PRO 41 2.257 -14.035 -3.667 305 HB2 PRO 41 HB2 PRO 41 2.927 -15.691 -5.744 306 HB3 PRO 41 HB3 PRO 41 1.617 -16.029 -4.613 307 HG2 PRO 41 HG2 PRO 41 1.501 -14.803 -7.347 308 HG3 PRO 41 HG3 PRO 41 0.456 -16.084 -6.628 309 HD2 PRO 41 HD2 PRO 41 -0.329 -13.493 -6.823 310 HD3 PRO 41 HD3 PRO 41 -0.814 -14.541 -5.479 311 H ALA 42 H ALA 42 4.517 -13.937 -3.929 312 HA ALA 42 HA ALA 42 5.486 -11.663 -5.298 313 HB1 ALA 42 HB1 ALA 42 6.822 -12.068 -3.516 314 HB2 ALA 42 HB2 ALA 42 6.660 -13.819 -3.651 315 HB3 ALA 42 HB3 ALA 42 7.758 -12.949 -4.725 316 H SER 43 H SER 43 4.816 -14.791 -6.378 317 HA SER 43 HA SER 43 6.861 -14.979 -8.380 318 HB2 SER 43 HB2 SER 43 5.136 -16.778 -7.221 319 HB3 SER 43 HB3 SER 43 4.417 -16.548 -8.825 320 HG SER 43 HG SER 43 6.250 -17.273 -9.773 321 H VAL 44 H VAL 44 3.507 -13.913 -8.271 322 HA VAL 44 HA VAL 44 3.509 -13.352 -11.134 323 HB VAL 44 HB VAL 44 1.507 -14.350 -9.955 324 HG11 VAL 44 HG11 VAL 44 1.608 -12.942 -7.946 325 HG12 VAL 44 HG12 VAL 44 1.189 -11.533 -8.923 326 HG13 VAL 44 HG13 VAL 44 0.034 -12.853 -8.735 327 HG21 VAL 44 HG21 VAL 44 0.122 -12.180 -11.049 328 HG22 VAL 44 HG22 VAL 44 1.641 -12.273 -11.941 329 HG23 VAL 44 HG23 VAL 44 0.578 -13.679 -11.861 330 H VAL 45 H VAL 45 3.751 -11.713 -8.072 331 HA VAL 45 HA VAL 45 3.071 -9.114 -8.765 332 HB VAL 45 HB VAL 45 3.823 -10.124 -6.475 333 HG11 VAL 45 HG11 VAL 45 6.153 -10.552 -7.442 334 HG12 VAL 45 HG12 VAL 45 6.415 -8.819 -7.238 335 HG13 VAL 45 HG13 VAL 45 6.054 -9.827 -5.837 336 HG21 VAL 45 HG21 VAL 45 4.792 -7.592 -6.076 337 HG22 VAL 45 HG22 VAL 45 3.825 -7.405 -7.539 338 HG23 VAL 45 HG23 VAL 45 3.089 -8.047 -6.072 339 H GLY 46 H GLY 46 5.861 -10.982 -9.634 340 HA2 GLY 46 HA2 GLY 46 7.227 -8.593 -10.663 341 HA3 GLY 46 HA3 GLY 46 7.950 -10.180 -10.459 342 H SER 47 H SER 47 4.816 -9.994 -11.888 343 HA SER 47 HA SER 47 5.968 -10.215 -14.581 344 HB2 SER 47 HB2 SER 47 3.688 -12.000 -13.758 345 HB3 SER 47 HB3 SER 47 4.836 -12.195 -15.094 346 HG SER 47 HG SER 47 5.022 -13.410 -12.878 347 H ILE 48 H ILE 48 3.096 -9.704 -12.593 348 HA ILE 48 HA ILE 48 1.386 -8.856 -14.675 349 HB ILE 48 HB ILE 48 0.010 -7.845 -12.885 350 HG12 ILE 48 HG12 ILE 48 1.222 -8.815 -10.558 351 HG13 ILE 48 HG13 ILE 48 2.527 -8.018 -11.451 352 HG21 ILE 48 HG21 ILE 48 -0.683 -9.984 -13.065 353 HG22 ILE 48 HG22 ILE 48 0.945 -10.638 -12.897 354 HG23 ILE 48 HG23 ILE 48 0.046 -10.134 -11.466 355 HD11 ILE 48 HD11 ILE 48 0.173 -6.858 -10.130 356 HD12 ILE 48 HD12 ILE 48 1.790 -6.195 -10.373 357 HD13 ILE 48 HD13 ILE 48 0.612 -6.150 -11.685 358 H ASP 49 H ASP 49 3.925 -7.281 -12.947 359 HA ASP 49 HA ASP 49 3.068 -4.602 -13.573 360 HB2 ASP 49 HB2 ASP 49 5.470 -5.831 -12.264 361 HB3 ASP 49 HB3 ASP 49 5.554 -4.159 -12.834 362 H GLU 50 H GLU 50 2.895 -4.411 -15.782 363 HA GLU 50 HA GLU 50 5.294 -4.962 -17.382 364 HB2 GLU 50 HB2 GLU 50 3.683 -5.963 -18.615 365 HB3 GLU 50 HB3 GLU 50 2.396 -4.959 -17.930 366 HG2 GLU 50 HG2 GLU 50 2.754 -3.222 -19.445 367 HG3 GLU 50 HG3 GLU 50 4.360 -3.823 -19.879 368 H SER 51 H SER 51 3.168 -2.420 -16.308 369 HA SER 51 HA SER 51 4.995 -0.453 -17.496 370 HB2 SER 51 HB2 SER 51 2.081 -0.740 -17.966 371 HB3 SER 51 HB3 SER 51 2.656 0.906 -17.650 372 HG SER 51 HG SER 51 3.843 0.871 -19.448 373 H SER 52 H SER 52 1.977 -0.199 -15.635 374 HA SER 52 HA SER 52 3.118 0.279 -13.130 375 HB2 SER 52 HB2 SER 52 2.563 2.837 -13.125 376 HB3 SER 52 HB3 SER 52 4.115 2.282 -13.780 377 HG SER 52 HG SER 52 3.421 2.644 -15.806 378 H ARG 53 H ARG 53 0.849 -1.000 -14.333 379 HA ARG 53 HA ARG 53 -1.219 0.098 -12.605 380 HB2 ARG 53 HB2 ARG 53 -2.900 0.273 -14.262 381 HB3 ARG 53 HB3 ARG 53 -1.486 1.114 -14.913 382 HG2 ARG 53 HG2 ARG 53 -1.192 -1.506 -15.803 383 HG3 ARG 53 HG3 ARG 53 -2.922 -1.156 -15.965 384 HD2 ARG 53 HD2 ARG 53 -0.811 0.756 -16.954 385 HD3 ARG 53 HD3 ARG 53 -1.413 -0.580 -17.946 386 HE ARG 53 HE ARG 53 -2.757 1.873 -17.388 387 HH11 ARG 53 HH11 ARG 53 -3.254 -1.509 -18.046 388 HH12 ARG 53 HH12 ARG 53 -4.839 -1.281 -18.707 389 HH21 ARG 53 HH21 ARG 53 -4.842 2.186 -18.258 390 HH22 ARG 53 HH22 ARG 53 -5.741 0.821 -18.829 391 H TRP 54 H TRP 54 -3.182 -1.405 -12.609 392 HA TRP 54 HA TRP 54 -2.832 -4.105 -13.449 393 HB2 TRP 54 HB2 TRP 54 -1.249 -4.206 -11.627 394 HB3 TRP 54 HB3 TRP 54 -2.407 -3.462 -10.526 395 HD1 TRP 54 HD1 TRP 54 -1.396 -6.811 -11.908 396 HE1 TRP 54 HE1 TRP 54 -2.849 -8.653 -10.850 397 HE3 TRP 54 HE3 TRP 54 -4.889 -3.870 -9.612 398 HZ2 TRP 54 HZ2 TRP 54 -5.169 -8.836 -9.253 399 HZ3 TRP 54 HZ3 TRP 54 -6.693 -4.957 -8.339 400 HH2 TRP 54 HH2 TRP 54 -6.829 -7.389 -8.165 401 H ILE 55 H ILE 55 -4.696 -5.340 -13.183 402 HA ILE 55 HA ILE 55 -6.958 -4.042 -11.828 403 HB ILE 55 HB ILE 55 -8.391 -4.941 -13.767 404 HG12 ILE 55 HG12 ILE 55 -5.657 -4.848 -15.067 405 HG13 ILE 55 HG13 ILE 55 -6.691 -6.274 -14.878 406 HG21 ILE 55 HG21 ILE 55 -6.560 -2.597 -14.259 407 HG22 ILE 55 HG22 ILE 55 -8.130 -2.871 -15.013 408 HG23 ILE 55 HG23 ILE 55 -8.025 -2.564 -13.279 409 HD11 ILE 55 HD11 ILE 55 -8.322 -4.537 -16.230 410 HD12 ILE 55 HD12 ILE 55 -6.733 -4.215 -16.923 411 HD13 ILE 55 HD13 ILE 55 -7.389 -5.851 -16.944 412 H CYS 56 H CYS 56 -8.824 -5.558 -11.547 413 HA CYS 56 HA CYS 56 -8.048 -7.857 -10.181 414 HB2 CYS 56 HB2 CYS 56 -10.755 -7.342 -11.435 415 HB3 CYS 56 HB3 CYS 56 -10.409 -8.420 -10.082 416 H MET 57 H MET 57 -9.506 -7.572 -13.417 417 HA MET 57 HA MET 57 -9.520 -10.296 -14.039 418 HB2 MET 57 HB2 MET 57 -9.593 -9.557 -16.414 419 HB3 MET 57 HB3 MET 57 -10.770 -8.734 -15.378 420 HG2 MET 57 HG2 MET 57 -8.545 -7.086 -15.267 421 HG3 MET 57 HG3 MET 57 -8.589 -7.641 -16.942 422 HE1 MET 57 HE1 MET 57 -11.734 -6.539 -14.395 423 HE2 MET 57 HE2 MET 57 -10.132 -5.859 -14.105 424 HE3 MET 57 HE3 MET 57 -11.412 -4.847 -14.778 425 H ASN 58 H ASN 58 -6.920 -8.071 -13.831 426 HA ASN 58 HA ASN 58 -5.139 -9.605 -15.523 427 HB2 ASN 58 HB2 ASN 58 -5.033 -7.022 -14.067 428 HB3 ASN 58 HB3 ASN 58 -3.495 -7.875 -14.252 429 HD21 ASN 58 HD21 ASN 58 -6.270 -7.719 -16.434 430 HD22 ASN 58 HD22 ASN 58 -5.411 -7.019 -17.759 431 H ASN 59 H ASN 59 -6.252 -9.831 -12.378 432 HA ASN 59 HA ASN 59 -4.009 -10.537 -10.890 433 HB2 ASN 59 HB2 ASN 59 -6.425 -10.194 -10.105 434 HB3 ASN 59 HB3 ASN 59 -6.692 -11.877 -10.577 435 HD21 ASN 59 HD21 ASN 59 -7.232 -11.883 -8.203 436 HD22 ASN 59 HD22 ASN 59 -5.947 -12.271 -7.116 437 H SER 60 H SER 60 -3.249 -12.643 -10.224 438 HA SER 60 HA SER 60 -2.914 -14.406 -12.468 439 HB2 SER 60 HB2 SER 60 -1.303 -13.752 -10.397 440 HB3 SER 60 HB3 SER 60 -1.985 -15.271 -9.788 441 HG SER 60 HG SER 60 -1.025 -16.368 -11.358 442 H ASP 61 H ASP 61 -4.897 -14.296 -9.633 443 HA ASP 61 HA ASP 61 -5.545 -17.049 -9.470 444 HB2 ASP 61 HB2 ASP 61 -6.032 -14.856 -7.910 445 HB3 ASP 61 HB3 ASP 61 -7.626 -15.148 -8.619 446 H LYS 62 H LYS 62 -8.194 -17.373 -9.531 447 HA LYS 62 HA LYS 62 -9.028 -16.617 -12.252 448 HB2 LYS 62 HB2 LYS 62 -10.152 -18.918 -12.314 449 HB3 LYS 62 HB3 LYS 62 -8.393 -18.863 -12.520 450 HG2 LYS 62 HG2 LYS 62 -9.080 -19.132 -9.730 451 HG3 LYS 62 HG3 LYS 62 -9.835 -20.407 -10.703 452 HD2 LYS 62 HD2 LYS 62 -7.846 -21.354 -11.282 453 HD3 LYS 62 HD3 LYS 62 -6.997 -19.798 -11.288 454 HE2 LYS 62 HE2 LYS 62 -6.837 -19.774 -8.900 455 HE3 LYS 62 HE3 LYS 62 -7.924 -21.164 -8.769 456 HZ1 LYS 62 HZ1 LYS 62 -5.344 -21.455 -8.618 457 HZ2 LYS 62 HZ2 LYS 62 -5.450 -21.483 -10.306 458 HZ3 LYS 62 HZ3 LYS 62 -6.301 -22.620 -9.387 459 H ARG 63 H ARG 63 -9.993 -17.589 -9.005 460 HA ARG 63 HA ARG 63 -12.780 -16.981 -9.514 461 HB2 ARG 63 HB2 ARG 63 -11.208 -18.208 -7.322 462 HB3 ARG 63 HB3 ARG 63 -12.665 -17.326 -6.837 463 HG2 ARG 63 HG2 ARG 63 -13.563 -19.398 -7.129 464 HG3 ARG 63 HG3 ARG 63 -13.760 -18.750 -8.765 465 HD2 ARG 63 HD2 ARG 63 -12.560 -20.449 -9.566 466 HD3 ARG 63 HD3 ARG 63 -11.171 -19.850 -8.649 467 HE ARG 63 HE ARG 63 -11.458 -21.567 -7.172 468 HH11 ARG 63 HH11 ARG 63 -14.394 -21.148 -8.996 469 HH12 ARG 63 HH12 ARG 63 -15.156 -22.561 -8.344 470 HH21 ARG 63 HH21 ARG 63 -12.450 -23.430 -6.306 471 HH22 ARG 63 HH22 ARG 63 -14.050 -23.858 -6.813 472 H PHE 64 H PHE 64 -9.977 -15.383 -8.329 473 HA PHE 64 HA PHE 64 -11.639 -13.126 -7.420 474 HB2 PHE 64 HB2 PHE 64 -8.996 -14.171 -6.422 475 HB3 PHE 64 HB3 PHE 64 -9.473 -12.496 -6.139 476 HD1 PHE 64 HD2 PHE 64 -10.921 -15.916 -5.783 477 HD2 PHE 64 HD1 PHE 64 -10.541 -11.994 -4.175 478 HE1 PHE 64 HE2 PHE 64 -12.230 -16.600 -3.815 479 HE2 PHE 64 HE1 PHE 64 -11.848 -12.671 -2.204 480 HZ PHE 64 HZ PHE 64 -12.695 -14.977 -2.022 481 H ALA 65 H ALA 65 -10.524 -13.855 -10.121 482 HA ALA 65 HA ALA 65 -8.827 -11.490 -10.566 483 HB1 ALA 65 HB1 ALA 65 -8.125 -13.924 -11.226 484 HB2 ALA 65 HB2 ALA 65 -9.153 -13.620 -12.626 485 HB3 ALA 65 HB3 ALA 65 -7.774 -12.569 -12.298 486 H ASP 66 H ASP 66 -11.007 -10.364 -10.375 487 HA ASP 66 HA ASP 66 -11.812 -9.451 -12.892 488 HB2 ASP 66 HB2 ASP 66 -13.259 -11.798 -11.890 489 HB3 ASP 66 HB3 ASP 66 -14.315 -10.437 -12.291 490 H CYS 67 H CYS 67 -13.067 -7.618 -12.745 491 HA CYS 67 HA CYS 67 -13.140 -6.302 -10.253 492 HB2 CYS 67 HB2 CYS 67 -14.095 -5.727 -13.012 493 HB3 CYS 67 HB3 CYS 67 -14.822 -4.794 -11.703 494 H SER 68 H SER 68 -15.384 -8.376 -11.859 495 HA SER 68 HA SER 68 -17.736 -7.525 -10.496 496 HB2 SER 68 HB2 SER 68 -17.201 -9.206 -12.620 497 HB3 SER 68 HB3 SER 68 -17.700 -10.331 -11.345 498 HG SER 68 HG SER 68 -19.297 -8.989 -12.841 499 H LYS 69 H LYS 69 -15.108 -9.643 -9.716 500 HA LYS 69 HA LYS 69 -16.400 -11.148 -7.685 501 HB2 LYS 69 HB2 LYS 69 -13.459 -10.512 -8.039 502 HB3 LYS 69 HB3 LYS 69 -14.126 -11.777 -6.994 503 HG2 LYS 69 HG2 LYS 69 -14.364 -11.668 -10.004 504 HG3 LYS 69 HG3 LYS 69 -13.267 -12.704 -9.075 505 HD2 LYS 69 HD2 LYS 69 -15.147 -13.850 -8.045 506 HD3 LYS 69 HD3 LYS 69 -16.278 -12.769 -8.876 507 HE2 LYS 69 HE2 LYS 69 -14.398 -14.076 -10.699 508 HE3 LYS 69 HE3 LYS 69 -15.412 -15.214 -9.796 509 HZ1 LYS 69 HZ1 LYS 69 -17.211 -14.633 -10.949 510 HZ2 LYS 69 HZ2 LYS 69 -16.149 -13.911 -12.050 511 HZ3 LYS 69 HZ3 LYS 69 -16.879 -12.977 -10.844 512 H SER 70 H SER 70 -15.101 -11.026 -5.400 513 HA SER 70 HA SER 70 -15.594 -8.287 -4.443 514 HB2 SER 70 HB2 SER 70 -15.475 -10.717 -2.661 515 HB3 SER 70 HB3 SER 70 -16.294 -9.169 -2.383 516 HG SER 70 HG SER 70 -17.719 -10.920 -2.967 517 H GLN 71 H GLN 71 -14.354 -8.045 -2.174 518 HA GLN 71 HA GLN 71 -11.582 -7.954 -2.884 519 HB2 GLN 71 HB2 GLN 71 -12.875 -6.251 -1.486 520 HB3 GLN 71 HB3 GLN 71 -12.724 -7.404 -0.150 521 HG2 GLN 71 HG2 GLN 71 -10.418 -7.163 -0.013 522 HG3 GLN 71 HG3 GLN 71 -10.304 -6.485 -1.644 523 HE21 GLN 71 HE21 GLN 71 -8.976 -5.097 0.072 524 HE22 GLN 71 HE22 GLN 71 -9.796 -3.660 0.570 525 H GLU 72 H GLU 72 -9.869 -8.746 -1.379 526 HA GLU 72 HA GLU 72 -10.428 -11.528 -0.693 527 HB2 GLU 72 HB2 GLU 72 -7.736 -10.166 -0.657 528 HB3 GLU 72 HB3 GLU 72 -8.084 -11.897 -0.773 529 HG2 GLU 72 HG2 GLU 72 -9.371 -10.909 -2.978 530 HG3 GLU 72 HG3 GLU 72 -7.944 -9.871 -2.865 531 H MET 73 H MET 73 -9.286 -8.530 0.764 532 HA MET 73 HA MET 73 -9.788 -9.704 3.406 533 HB2 MET 73 HB2 MET 73 -7.313 -8.226 2.516 534 HB3 MET 73 HB3 MET 73 -7.773 -8.353 4.221 535 HG2 MET 73 HG2 MET 73 -7.916 -10.957 3.466 536 HG3 MET 73 HG3 MET 73 -6.623 -10.364 2.421 537 HE1 MET 73 HE1 MET 73 -5.577 -8.022 5.313 538 HE2 MET 73 HE2 MET 73 -4.112 -8.832 4.758 539 HE3 MET 73 HE3 MET 73 -5.323 -8.302 3.590 540 H SER 74 H SER 74 -9.924 -7.979 5.120 541 HA SER 74 HA SER 74 -11.661 -5.881 4.164 542 HB2 SER 74 HB2 SER 74 -11.593 -5.344 6.759 543 HB3 SER 74 HB3 SER 74 -12.512 -6.727 6.136 544 HG SER 74 HG SER 74 -10.059 -6.694 7.501 545 H ASN 75 H ASN 75 -11.381 -3.644 4.580 546 HA ASN 75 HA ASN 75 -8.932 -2.573 3.899 547 HB2 ASN 75 HB2 ASN 75 -11.506 -1.579 4.712 548 HB3 ASN 75 HB3 ASN 75 -10.236 -0.633 5.496 549 HD21 ASN 75 HD21 ASN 75 -10.287 -2.199 2.326 550 HD22 ASN 75 HD22 ASN 75 -10.026 -0.755 1.414 551 H GLU 76 H GLU 76 -10.263 -3.178 7.112 552 HA GLU 76 HA GLU 76 -8.259 -1.878 8.596 553 HB2 GLU 76 HB2 GLU 76 -9.002 -3.358 10.473 554 HB3 GLU 76 HB3 GLU 76 -10.312 -2.475 9.674 555 HG2 GLU 76 HG2 GLU 76 -10.354 -4.757 8.240 556 HG3 GLU 76 HG3 GLU 76 -9.780 -5.366 9.800 557 H GLU 77 H GLU 77 -8.594 -5.280 7.616 558 HA GLU 77 HA GLU 77 -6.271 -6.243 8.836 559 HB2 GLU 77 HB2 GLU 77 -8.233 -7.491 7.655 560 HB3 GLU 77 HB3 GLU 77 -7.223 -7.330 6.210 561 HG2 GLU 77 HG2 GLU 77 -6.872 -9.489 7.241 562 HG3 GLU 77 HG3 GLU 77 -5.405 -8.504 7.343 563 H ILE 78 H ILE 78 -6.779 -4.870 5.613 564 HA ILE 78 HA ILE 78 -4.143 -5.292 4.677 565 HB ILE 78 HB ILE 78 -6.093 -3.160 3.793 566 HG12 ILE 78 HG12 ILE 78 -5.653 -5.876 2.547 567 HG13 ILE 78 HG13 ILE 78 -6.915 -5.576 3.754 568 HG21 ILE 78 HG21 ILE 78 -3.604 -4.313 2.566 569 HG22 ILE 78 HG22 ILE 78 -4.820 -3.462 1.616 570 HG23 ILE 78 HG23 ILE 78 -3.974 -2.625 2.918 571 HD11 ILE 78 HD11 ILE 78 -7.060 -3.606 1.675 572 HD12 ILE 78 HD12 ILE 78 -7.110 -5.234 0.997 573 HD13 ILE 78 HD13 ILE 78 -8.280 -4.752 2.227 574 H ASN 79 H ASN 79 -5.736 -2.394 6.005 575 HA ASN 79 HA ASN 79 -3.602 -0.640 5.881 576 HB2 ASN 79 HB2 ASN 79 -5.189 0.681 6.729 577 HB3 ASN 79 HB3 ASN 79 -6.157 -0.731 7.171 578 HD21 ASN 79 HD21 ASN 79 -6.131 -1.491 9.253 579 HD22 ASN 79 HD22 ASN 79 -5.405 -0.627 10.561 580 H GLU 80 H GLU 80 -4.425 -2.952 8.440 581 HA GLU 80 HA GLU 80 -2.197 -2.220 10.085 582 HB2 GLU 80 HB2 GLU 80 -2.870 -3.991 11.536 583 HB3 GLU 80 HB3 GLU 80 -4.344 -3.218 10.932 584 HG2 GLU 80 HG2 GLU 80 -4.742 -5.001 9.386 585 HG3 GLU 80 HG3 GLU 80 -3.176 -5.732 9.765 586 H GLU 81 H GLU 81 -2.775 -4.523 7.541 587 HA GLU 81 HA GLU 81 -0.646 -6.291 8.035 588 HB2 GLU 81 HB2 GLU 81 -2.450 -6.827 6.484 589 HB3 GLU 81 HB3 GLU 81 -1.936 -5.515 5.413 590 HG2 GLU 81 HG2 GLU 81 -1.211 -7.680 4.569 591 HG3 GLU 81 HG3 GLU 81 0.167 -6.650 4.987 592 H LEU 82 H LEU 82 -0.830 -3.480 5.852 593 HA LEU 82 HA LEU 82 2.019 -3.586 5.356 594 HB2 LEU 82 HB2 LEU 82 0.068 -1.436 4.532 595 HB3 LEU 82 HB3 LEU 82 1.663 -1.776 3.840 596 HG LEU 82 HG LEU 82 0.225 -4.141 3.499 597 HD11 LEU 82 HD11 LEU 82 -1.592 -2.575 2.052 598 HD12 LEU 82 HD12 LEU 82 -1.592 -1.931 3.693 599 HD13 LEU 82 HD13 LEU 82 -1.932 -3.638 3.416 600 HD21 LEU 82 HD21 LEU 82 1.323 -1.965 1.845 601 HD22 LEU 82 HD22 LEU 82 0.097 -2.969 1.071 602 HD23 LEU 82 HD23 LEU 82 1.556 -3.710 1.732 603 H GLY 83 H GLY 83 -0.212 -1.813 7.363 604 HA2 GLY 83 HA2 GLY 83 0.386 -0.661 9.320 605 HA3 GLY 83 HA3 GLY 83 2.048 -0.606 8.755 606 H ILE 84 H ILE 84 -0.742 0.374 6.857 607 HA ILE 84 HA ILE 84 0.350 3.103 6.809 608 HB ILE 84 HB ILE 84 -0.916 3.425 4.740 609 HG12 ILE 84 HG12 ILE 84 -1.700 0.521 5.106 610 HG13 ILE 84 HG13 ILE 84 -2.789 1.914 5.225 611 HG21 ILE 84 HG21 ILE 84 0.322 1.018 3.840 612 HG22 ILE 84 HG22 ILE 84 0.886 2.681 3.684 613 HG23 ILE 84 HG23 ILE 84 1.314 1.736 5.110 614 HD11 ILE 84 HD11 ILE 84 -2.155 0.410 2.938 615 HD12 ILE 84 HD12 ILE 84 -3.173 1.847 3.053 616 HD13 ILE 84 HD13 ILE 84 -1.450 2.010 2.712 617 H GLY 85 H GLY 85 -1.668 4.642 6.054 618 HA2 GLY 85 HA2 GLY 85 -3.679 4.290 8.193 619 HA3 GLY 85 HA3 GLY 85 -3.052 5.853 7.692 620 H GLN 86 H GLN 86 -4.545 3.010 6.133 621 HA GLN 86 HA GLN 86 -5.643 4.314 3.958 622 HB2 GLN 86 HB2 GLN 86 -5.897 1.748 5.221 623 HB3 GLN 86 HB3 GLN 86 -7.497 2.323 4.727 624 HG2 GLN 86 HG2 GLN 86 -6.813 2.549 2.452 625 HG3 GLN 86 HG3 GLN 86 -5.125 2.237 2.883 626 HE21 GLN 86 HE21 GLN 86 -4.439 0.158 3.241 627 HE22 GLN 86 HE22 GLN 86 -5.403 -1.228 2.876 628 H ASP 87 H ASP 87 -8.094 4.509 3.580 629 HA ASP 87 HA ASP 87 -9.091 6.404 5.522 630 HB2 ASP 87 HB2 ASP 87 -9.947 5.520 2.778 631 HB3 ASP 87 HB3 ASP 87 -11.051 6.453 3.798 632 H GLU 88 H GLU 88 -9.157 4.481 7.101 633 HA GLU 88 HA GLU 88 -11.138 2.505 6.903 634 HB2 GLU 88 HB2 GLU 88 -10.822 2.136 9.256 635 HB3 GLU 88 HB3 GLU 88 -9.249 2.491 8.526 636 HG2 GLU 88 HG2 GLU 88 -9.341 4.776 9.351 637 HG3 GLU 88 HG3 GLU 88 -10.943 4.467 10.038 638 H ALA 89 H ALA 89 -11.285 5.851 7.847 639 HA ALA 89 HA ALA 89 -13.021 7.241 8.328 640 HB1 ALA 89 HB1 ALA 89 -14.842 5.056 7.343 641 HB2 ALA 89 HB2 ALA 89 -15.146 6.794 7.372 642 HB3 ALA 89 HB3 ALA 89 -13.942 6.126 6.268 643 H ASP 90 H ASP 90 -15.404 7.084 9.444 644 HA ASP 90 HA ASP 90 -14.879 6.317 12.110 645 HB2 ASP 90 HB2 ASP 90 -16.401 8.150 11.575 646 HB3 ASP 90 HB3 ASP 90 -17.501 7.021 10.773 647 H ALA 91 H ALA 91 -17.528 5.111 10.049 648 HA ALA 91 HA ALA 91 -16.931 2.390 10.295 649 HB1 ALA 91 HB1 ALA 91 -18.131 3.527 12.645 650 HB2 ALA 91 HB2 ALA 91 -19.198 2.316 11.933 651 HB3 ALA 91 HB3 ALA 91 -17.543 1.887 12.368 652 H TYR 92 H TYR 92 -19.377 4.879 9.980 653 HA TYR 92 HA TYR 92 -21.217 5.081 8.656 654 HB2 TYR 92 HB2 TYR 92 -19.167 4.153 7.071 655 HB3 TYR 92 HB3 TYR 92 -20.455 2.989 6.742 656 HD1 TYR 92 HD1 TYR 92 -20.407 6.692 7.291 657 HD2 TYR 92 HD2 TYR 92 -21.553 3.459 4.773 658 HE1 TYR 92 HE1 TYR 92 -21.475 8.281 5.747 659 HE2 TYR 92 HE2 TYR 92 -22.622 5.039 3.222 660 HH TYR 92 HH TYR 92 -23.660 7.485 3.512 661 H ASP 93 H ASP 93 -22.800 3.484 7.232 662 HA ASP 93 HA ASP 93 -24.485 1.964 7.390 663 HB2 ASP 93 HB2 ASP 93 -22.176 0.537 7.644 664 HB3 ASP 93 HB3 ASP 93 -23.013 0.098 9.138 665 H CYS 94 H CYS 94 -25.524 0.369 9.240 666 HA CYS 94 HA CYS 94 -25.849 2.095 11.607 667 HB2 CYS 94 HB2 CYS 94 -27.786 1.007 9.742 668 HB3 CYS 94 HB3 CYS 94 -28.137 0.490 11.392 669 H ASP 95 H ASP 95 -25.741 1.182 13.594 670 HA ASP 95 HA ASP 95 -25.164 -0.329 15.196 671 HB2 ASP 95 HB2 ASP 95 -26.714 -2.231 13.415 672 HB3 ASP 95 HB3 ASP 95 -26.307 -2.501 15.117 673 H ALA 96 H ALA 96 -23.186 0.125 13.303 674 HA ALA 96 HA ALA 96 -22.094 -2.282 12.255 675 HB1 ALA 96 HB1 ALA 96 -21.213 0.531 12.508 676 HB2 ALA 96 HB2 ALA 96 -19.953 -0.690 12.312 677 HB3 ALA 96 HB3 ALA 96 -21.228 -0.534 11.101 678 H ALA 97 H ALA 97 -21.952 -0.718 15.340 679 HA ALA 97 HA ALA 97 -19.576 -1.667 16.395 680 HB1 ALA 97 HB1 ALA 97 -21.007 -1.718 18.598 681 HB2 ALA 97 HB2 ALA 97 -20.624 -0.192 17.798 682 HB3 ALA 97 HB3 ALA 97 -22.210 -0.932 17.575 683 H LYS 98 H LYS 98 -22.697 -3.298 16.102 684 HA LYS 98 HA LYS 98 -22.014 -5.602 17.587 685 HB2 LYS 98 HB2 LYS 98 -24.308 -4.640 16.491 686 HB3 LYS 98 HB3 LYS 98 -23.919 -5.946 15.359 687 HG2 LYS 98 HG2 LYS 98 -25.080 -7.216 16.802 688 HG3 LYS 98 HG3 LYS 98 -23.557 -7.223 17.707 689 HD2 LYS 98 HD2 LYS 98 -25.212 -6.658 19.290 690 HD3 LYS 98 HD3 LYS 98 -24.408 -5.134 18.879 691 HE2 LYS 98 HE2 LYS 98 -26.363 -4.251 18.283 692 HE3 LYS 98 HE3 LYS 98 -26.531 -5.497 17.038 693 HZ1 LYS 98 HZ1 LYS 98 -28.255 -5.216 19.013 694 HZ2 LYS 98 HZ2 LYS 98 -27.183 -6.285 19.766 695 HZ3 LYS 98 HZ3 LYS 98 -27.923 -6.718 18.308 696 H ARG 99 H ARG 99 -21.740 -7.790 16.712 697 HA ARG 99 HA ARG 99 -20.795 -9.354 15.339 698 HB2 ARG 99 HB2 ARG 99 -20.446 -7.261 13.200 699 HB3 ARG 99 HB3 ARG 99 -20.640 -9.012 13.015 700 HG2 ARG 99 HG2 ARG 99 -22.975 -8.264 14.279 701 HG3 ARG 99 HG3 ARG 99 -22.652 -6.923 13.168 702 HD2 ARG 99 HD2 ARG 99 -22.612 -9.828 12.333 703 HD3 ARG 99 HD3 ARG 99 -24.039 -8.788 12.217 704 HE ARG 99 HE ARG 99 -21.884 -7.524 10.932 705 HH11 ARG 99 HH11 ARG 99 -24.008 -10.257 10.557 706 HH12 ARG 99 HH12 ARG 99 -23.912 -10.260 8.827 707 HH21 ARG 99 HH21 ARG 99 -21.750 -7.518 8.654 708 HH22 ARG 99 HH22 ARG 99 -22.627 -8.702 7.746 709 H GLY 100 H GLY 100 -19.268 -6.179 14.741 710 HA2 GLY 100 HA2 GLY 100 -17.117 -5.697 15.775 711 HA3 GLY 100 HA3 GLY 100 -16.709 -7.392 15.565
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