NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586502 | 2mr7 | 25064 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.179 -7.228 -0.635 2 HA2 GLY 1 HA2 GLY 1 3.200 -6.911 -2.963 3 HA3 GLY 1 HA3 GLY 1 1.849 -8.061 -3.018 4 H ALA 2 H ALA 2 1.674 -6.171 -4.912 5 HA ALA 2 HA ALA 2 -0.604 -4.547 -3.985 6 HB1 ALA 2 HB1 ALA 2 1.335 -3.011 -3.659 7 HB2 ALA 2 HB2 ALA 2 1.861 -3.325 -5.335 8 HB3 ALA 2 HB3 ALA 2 0.326 -2.483 -5.028 9 H MET 3 H MET 3 -1.715 -3.654 -5.973 10 HA MET 3 HA MET 3 -1.757 -5.708 -8.054 11 HB2 MET 3 HB2 MET 3 -3.261 -3.080 -7.736 12 HB3 MET 3 HB3 MET 3 -3.567 -4.280 -8.998 13 HG2 MET 3 HG2 MET 3 -4.209 -5.941 -7.297 14 HG3 MET 3 HG3 MET 3 -3.861 -4.767 -6.014 15 HE1 MET 3 HE1 MET 3 -5.816 -4.476 -9.564 16 HE2 MET 3 HE2 MET 3 -6.344 -5.973 -8.756 17 HE3 MET 3 HE3 MET 3 -7.475 -4.613 -8.931 18 H ALA 4 H ALA 4 -1.340 -5.359 -10.271 19 HA ALA 4 HA ALA 4 0.784 -3.434 -10.841 20 HB1 ALA 4 HB1 ALA 4 -0.770 -5.329 -12.674 21 HB2 ALA 4 HB2 ALA 4 0.704 -4.438 -13.110 22 HB3 ALA 4 HB3 ALA 4 0.773 -5.707 -11.866 23 H LYS 5 H LYS 5 0.607 -1.753 -12.452 24 HA LYS 5 HA LYS 5 -1.862 -0.262 -12.342 25 HB2 LYS 5 HB2 LYS 5 -0.756 1.257 -13.934 26 HB3 LYS 5 HB3 LYS 5 0.291 0.884 -12.561 27 HG2 LYS 5 HG2 LYS 5 1.681 -0.558 -13.875 28 HG3 LYS 5 HG3 LYS 5 0.527 -0.575 -15.221 29 HD2 LYS 5 HD2 LYS 5 1.870 1.979 -14.301 30 HD3 LYS 5 HD3 LYS 5 2.610 0.891 -15.491 31 HE2 LYS 5 HE2 LYS 5 0.551 1.072 -16.901 32 HE3 LYS 5 HE3 LYS 5 -0.099 2.259 -15.762 33 HZ1 LYS 5 HZ1 LYS 5 0.928 3.315 -17.647 34 HZ2 LYS 5 HZ2 LYS 5 2.364 2.568 -17.368 35 HZ3 LYS 5 HZ3 LYS 5 1.798 3.684 -16.286 36 H ALA 6 H ALA 6 -3.212 0.331 -14.161 37 HA ALA 6 HA ALA 6 -3.885 -1.864 -15.902 38 HB1 ALA 6 HB1 ALA 6 -5.399 -0.215 -16.986 39 HB2 ALA 6 HB2 ALA 6 -5.542 -0.122 -15.217 40 HB3 ALA 6 HB3 ALA 6 -4.606 1.110 -16.100 41 HA PRO 7 HA PRO 7 -0.598 -0.935 -18.684 42 HB2 PRO 7 HB2 PRO 7 -1.175 -2.471 -20.840 43 HB3 PRO 7 HB3 PRO 7 -0.770 -3.205 -19.252 44 HG2 PRO 7 HG2 PRO 7 -3.486 -2.660 -20.440 45 HG3 PRO 7 HG3 PRO 7 -2.843 -4.193 -19.769 46 HD2 PRO 7 HD2 PRO 7 -4.374 -2.501 -18.290 47 HD3 PRO 7 HD3 PRO 7 -3.020 -3.433 -17.560 48 H GLU 8 H GLU 8 -0.024 0.129 -20.671 49 HA GLU 8 HA GLU 8 -2.098 1.893 -21.805 50 HB2 GLU 8 HB2 GLU 8 0.874 1.502 -22.256 51 HB3 GLU 8 HB3 GLU 8 -0.108 2.472 -23.353 52 HG2 GLU 8 HG2 GLU 8 0.952 3.951 -21.809 53 HG3 GLU 8 HG3 GLU 8 -0.782 3.920 -21.450 54 H SER 9 H SER 9 -3.527 0.849 -23.050 55 HA SER 9 HA SER 9 -2.711 -1.545 -24.551 56 HB2 SER 9 HB2 SER 9 -5.388 -0.125 -24.367 57 HB3 SER 9 HB3 SER 9 -5.098 -1.747 -25.033 58 HG SER 9 HG SER 9 -4.610 -0.902 -22.357 59 H ALA 10 H ALA 10 -3.984 -1.648 -26.831 60 HA ALA 10 HA ALA 10 -2.408 -0.046 -28.571 61 HB1 ALA 10 HB1 ALA 10 -3.777 -1.064 -30.370 62 HB2 ALA 10 HB2 ALA 10 -3.262 -2.286 -29.180 63 HB3 ALA 10 HB3 ALA 10 -4.932 -1.660 -29.155 64 H THR 11 H THR 11 -5.709 0.388 -27.323 65 HA THR 11 HA THR 11 -6.713 2.184 -29.219 66 HB THR 11 HB THR 11 -7.214 2.381 -26.212 67 HG1 THR 11 HG1 THR 11 -8.827 0.708 -26.749 68 HG21 THR 11 HG21 THR 11 -8.358 4.022 -27.704 69 HG22 THR 11 HG22 THR 11 -9.498 2.929 -26.901 70 HG23 THR 11 HG23 THR 11 -9.068 2.671 -28.616 71 H GLU 12 H GLU 12 -4.847 2.851 -26.236 72 HA GLU 12 HA GLU 12 -4.927 5.673 -26.358 73 HB2 GLU 12 HB2 GLU 12 -2.774 3.797 -25.297 74 HB3 GLU 12 HB3 GLU 12 -2.814 5.539 -25.019 75 HG2 GLU 12 HG2 GLU 12 -3.795 4.885 -23.091 76 HG3 GLU 12 HG3 GLU 12 -5.246 4.994 -24.092 77 H LYS 13 H LYS 13 -2.858 3.372 -28.061 78 HA LYS 13 HA LYS 13 -0.931 5.362 -28.922 79 HB2 LYS 13 HB2 LYS 13 -1.585 2.774 -30.367 80 HB3 LYS 13 HB3 LYS 13 -0.030 3.612 -30.298 81 HG2 LYS 13 HG2 LYS 13 -1.345 2.158 -28.013 82 HG3 LYS 13 HG3 LYS 13 -0.137 1.538 -28.968 83 HD2 LYS 13 HD2 LYS 13 1.543 2.819 -27.971 84 HD3 LYS 13 HD3 LYS 13 0.432 4.155 -27.576 85 HE2 LYS 13 HE2 LYS 13 1.181 2.873 -25.565 86 HE3 LYS 13 HE3 LYS 13 -0.573 2.844 -25.800 87 HZ1 LYS 13 HZ1 LYS 13 0.274 0.659 -25.193 88 HZ2 LYS 13 HZ2 LYS 13 1.242 0.623 -26.535 89 HZ3 LYS 13 HZ3 LYS 13 -0.404 0.625 -26.695 90 H VAL 14 H VAL 14 -3.898 4.019 -30.316 91 HA VAL 14 HA VAL 14 -3.563 5.258 -32.922 92 HB VAL 14 HB VAL 14 -6.117 4.356 -31.503 93 HG11 VAL 14 HG11 VAL 14 -6.653 5.900 -33.296 94 HG12 VAL 14 HG12 VAL 14 -5.581 5.033 -34.422 95 HG13 VAL 14 HG13 VAL 14 -7.053 4.247 -33.813 96 HG21 VAL 14 HG21 VAL 14 -4.546 2.480 -31.795 97 HG22 VAL 14 HG22 VAL 14 -5.919 2.329 -32.908 98 HG23 VAL 14 HG23 VAL 14 -4.351 2.894 -33.519 99 H LEU 15 H LEU 15 -5.239 6.063 -29.876 100 HA LEU 15 HA LEU 15 -6.360 8.527 -30.770 101 HB2 LEU 15 HB2 LEU 15 -5.508 7.522 -28.056 102 HB3 LEU 15 HB3 LEU 15 -6.363 9.046 -28.266 103 HG LEU 15 HG LEU 15 -7.448 6.339 -29.241 104 HD11 LEU 15 HD11 LEU 15 -7.856 7.806 -26.598 105 HD12 LEU 15 HD12 LEU 15 -6.916 6.329 -26.849 106 HD13 LEU 15 HD13 LEU 15 -8.671 6.310 -27.129 107 HD21 LEU 15 HD21 LEU 15 -8.778 9.029 -28.614 108 HD22 LEU 15 HD22 LEU 15 -9.633 7.540 -29.074 109 HD23 LEU 15 HD23 LEU 15 -8.542 8.334 -30.234 110 H CYS 16 H CYS 16 -3.221 7.809 -29.188 111 HA CYS 16 HA CYS 16 -2.280 10.488 -29.041 112 HB2 CYS 16 HB2 CYS 16 -0.873 7.837 -29.500 113 HB3 CYS 16 HB3 CYS 16 -0.004 9.360 -29.365 114 HG CYS 16 HG CYS 16 -0.602 9.958 -26.996 115 H ALA 17 H ALA 17 -2.039 8.124 -31.788 116 HA ALA 17 HA ALA 17 -0.575 10.017 -33.399 117 HB1 ALA 17 HB1 ALA 17 -0.537 7.568 -33.816 118 HB2 ALA 17 HB2 ALA 17 -2.267 7.606 -34.239 119 HB3 ALA 17 HB3 ALA 17 -1.084 8.456 -35.261 120 H LEU 18 H LEU 18 -4.066 9.293 -33.048 121 HA LEU 18 HA LEU 18 -4.890 10.960 -35.220 122 HB2 LEU 18 HB2 LEU 18 -6.295 10.005 -32.713 123 HB3 LEU 18 HB3 LEU 18 -7.078 11.037 -33.906 124 HG LEU 18 HG LEU 18 -5.964 8.276 -34.463 125 HD11 LEU 18 HD11 LEU 18 -7.992 8.265 -33.060 126 HD12 LEU 18 HD12 LEU 18 -8.321 7.639 -34.690 127 HD13 LEU 18 HD13 LEU 18 -8.823 9.292 -34.259 128 HD21 LEU 18 HD21 LEU 18 -5.771 9.487 -36.483 129 HD22 LEU 18 HD22 LEU 18 -7.305 10.349 -36.220 130 HD23 LEU 18 HD23 LEU 18 -7.302 8.620 -36.623 131 H TYR 19 H TYR 19 -4.102 11.693 -31.819 132 HA TYR 19 HA TYR 19 -5.108 14.406 -31.842 133 HB2 TYR 19 HB2 TYR 19 -2.943 12.993 -30.380 134 HB3 TYR 19 HB3 TYR 19 -2.971 14.683 -30.323 135 HD1 TYR 19 HD1 TYR 19 -5.910 12.360 -30.158 136 HD2 TYR 19 HD2 TYR 19 -3.353 15.098 -28.017 137 HE1 TYR 19 HE1 TYR 19 -7.421 12.236 -28.143 138 HE2 TYR 19 HE2 TYR 19 -4.830 14.949 -26.053 139 HH TYR 19 HH TYR 19 -7.818 12.964 -26.026 140 H ALA 20 H ALA 20 -1.950 12.918 -32.815 141 HA ALA 20 HA ALA 20 -0.707 15.385 -33.469 142 HB1 ALA 20 HB1 ALA 20 -0.238 12.738 -34.893 143 HB2 ALA 20 HB2 ALA 20 0.939 14.038 -34.615 144 HB3 ALA 20 HB3 ALA 20 0.379 13.040 -33.252 145 H GLU 21 H GLU 21 -2.850 13.328 -35.403 146 HA GLU 21 HA GLU 21 -2.260 14.556 -37.961 147 HB2 GLU 21 HB2 GLU 21 -4.592 12.971 -36.815 148 HB3 GLU 21 HB3 GLU 21 -4.622 13.587 -38.470 149 HG2 GLU 21 HG2 GLU 21 -2.223 12.003 -37.651 150 HG3 GLU 21 HG3 GLU 21 -3.757 11.127 -37.773 151 H ILE 22 H ILE 22 -4.514 15.216 -35.333 152 HA ILE 22 HA ILE 22 -6.066 17.175 -36.868 153 HB ILE 22 HB ILE 22 -6.032 16.218 -33.997 154 HG12 ILE 22 HG12 ILE 22 -6.708 14.552 -35.736 155 HG13 ILE 22 HG13 ILE 22 -7.994 14.812 -34.662 156 HG21 ILE 22 HG21 ILE 22 -7.942 18.089 -35.402 157 HG22 ILE 22 HG22 ILE 22 -8.380 17.242 -33.924 158 HG23 ILE 22 HG23 ILE 22 -7.000 18.363 -33.896 159 HD11 ILE 22 HD11 ILE 22 -8.765 14.646 -36.963 160 HD12 ILE 22 HD12 ILE 22 -9.121 16.261 -36.346 161 HD13 ILE 22 HD13 ILE 22 -7.704 15.978 -37.411 162 H LEU 23 H LEU 23 -3.560 17.143 -34.417 163 HA LEU 23 HA LEU 23 -3.805 20.044 -34.061 164 HB2 LEU 23 HB2 LEU 23 -2.011 17.976 -32.723 165 HB3 LEU 23 HB3 LEU 23 -2.147 19.673 -32.250 166 HG LEU 23 HG LEU 23 -4.589 17.862 -32.199 167 HD11 LEU 23 HD11 LEU 23 -2.485 18.222 -30.106 168 HD12 LEU 23 HD12 LEU 23 -2.847 16.757 -31.008 169 HD13 LEU 23 HD13 LEU 23 -4.069 17.421 -29.880 170 HD21 LEU 23 HD21 LEU 23 -3.767 20.336 -30.662 171 HD22 LEU 23 HD22 LEU 23 -5.252 19.367 -30.383 172 HD23 LEU 23 HD23 LEU 23 -4.989 20.220 -31.941 173 H GLY 24 H GLY 24 -1.680 17.876 -35.752 174 HA2 GLY 24 HA2 GLY 24 0.038 18.460 -37.176 175 HA3 GLY 24 HA3 GLY 24 -0.294 20.170 -36.848 176 H VAL 25 H VAL 25 0.502 17.770 -34.355 177 HA VAL 25 HA VAL 25 2.985 19.330 -33.783 178 HB VAL 25 HB VAL 25 2.812 18.374 -31.472 179 HG11 VAL 25 HG11 VAL 25 0.885 19.742 -30.728 180 HG12 VAL 25 HG12 VAL 25 1.837 20.590 -31.962 181 HG13 VAL 25 HG13 VAL 25 0.297 19.829 -32.404 182 HG21 VAL 25 HG21 VAL 25 0.102 17.294 -32.366 183 HG22 VAL 25 HG22 VAL 25 1.542 16.298 -32.048 184 HG23 VAL 25 HG23 VAL 25 0.782 17.215 -30.730 185 H GLU 26 H GLU 26 4.904 18.147 -33.144 186 HA GLU 26 HA GLU 26 5.474 15.997 -34.915 187 HB2 GLU 26 HB2 GLU 26 7.133 17.644 -33.915 188 HB3 GLU 26 HB3 GLU 26 6.983 16.779 -32.382 189 HG2 GLU 26 HG2 GLU 26 7.671 14.682 -33.785 190 HG3 GLU 26 HG3 GLU 26 8.246 15.857 -34.971 191 H ARG 27 H ARG 27 4.813 16.082 -31.405 192 HA ARG 27 HA ARG 27 4.472 13.110 -31.471 193 HB2 ARG 27 HB2 ARG 27 6.209 14.674 -29.578 194 HB3 ARG 27 HB3 ARG 27 5.580 13.087 -29.202 195 HG2 ARG 27 HG2 ARG 27 6.716 12.115 -31.059 196 HG3 ARG 27 HG3 ARG 27 7.215 13.682 -31.729 197 HD2 ARG 27 HD2 ARG 27 8.504 14.168 -29.643 198 HD3 ARG 27 HD3 ARG 27 8.207 12.503 -29.149 199 HE ARG 27 HE ARG 27 9.835 13.420 -31.409 200 HH11 ARG 27 HH11 ARG 27 8.451 10.628 -29.748 201 HH12 ARG 27 HH12 ARG 27 9.520 9.507 -30.548 202 HH21 ARG 27 HH21 ARG 27 11.154 11.956 -32.382 203 HH22 ARG 27 HH22 ARG 27 11.024 10.254 -32.020 204 H VAL 28 H VAL 28 3.286 12.247 -29.729 205 HA VAL 28 HA VAL 28 1.804 14.211 -28.035 206 HB VAL 28 HB VAL 28 0.466 11.827 -29.368 207 HG11 VAL 28 HG11 VAL 28 -1.592 12.882 -28.593 208 HG12 VAL 28 HG12 VAL 28 -0.477 12.709 -27.217 209 HG13 VAL 28 HG13 VAL 28 -0.681 14.283 -27.998 210 HG21 VAL 28 HG21 VAL 28 1.022 13.324 -31.186 211 HG22 VAL 28 HG22 VAL 28 -0.684 13.467 -30.821 212 HG23 VAL 28 HG23 VAL 28 0.422 14.728 -30.264 213 H GLY 29 H GLY 29 2.183 13.610 -25.985 214 HA2 GLY 29 HA2 GLY 29 3.170 10.970 -25.369 215 HA3 GLY 29 HA3 GLY 29 2.874 12.219 -24.212 216 H VAL 30 H VAL 30 2.073 9.671 -23.520 217 HA VAL 30 HA VAL 30 -0.634 9.120 -24.378 218 HB VAL 30 HB VAL 30 -0.600 7.801 -22.055 219 HG11 VAL 30 HG11 VAL 30 -0.669 6.751 -24.258 220 HG12 VAL 30 HG12 VAL 30 1.081 7.025 -24.472 221 HG13 VAL 30 HG13 VAL 30 0.492 5.905 -23.216 222 HG21 VAL 30 HG21 VAL 30 1.593 7.182 -21.263 223 HG22 VAL 30 HG22 VAL 30 2.400 8.084 -22.563 224 HG23 VAL 30 HG23 VAL 30 1.522 8.951 -21.271 225 H ASP 31 H ASP 31 0.728 11.357 -22.106 226 HA ASP 31 HA ASP 31 -1.981 11.787 -20.940 227 HB2 ASP 31 HB2 ASP 31 0.102 11.090 -19.509 228 HB3 ASP 31 HB3 ASP 31 0.536 12.790 -19.661 229 H ASP 32 H ASP 32 -0.690 12.907 -23.485 230 HA ASP 32 HA ASP 32 0.058 15.568 -22.856 231 HB2 ASP 32 HB2 ASP 32 0.353 13.867 -25.023 232 HB3 ASP 32 HB3 ASP 32 -0.767 15.069 -25.613 233 H ALA 33 H ALA 33 -1.160 17.333 -22.656 234 HA ALA 33 HA ALA 33 -4.053 17.004 -22.746 235 HB1 ALA 33 HB1 ALA 33 -3.039 18.304 -20.984 236 HB2 ALA 33 HB2 ALA 33 -2.295 19.403 -22.170 237 HB3 ALA 33 HB3 ALA 33 -4.060 19.365 -21.984 238 H PHE 34 H PHE 34 -5.163 17.069 -24.525 239 HA PHE 34 HA PHE 34 -4.466 17.971 -27.074 240 HB2 PHE 34 HB2 PHE 34 -6.429 16.627 -26.400 241 HB3 PHE 34 HB3 PHE 34 -7.213 18.167 -25.846 242 HD1 PHE 34 HD1 PHE 34 -5.943 16.314 -28.837 243 HD2 PHE 34 HD2 PHE 34 -8.297 19.632 -27.409 244 HE1 PHE 34 HE1 PHE 34 -6.812 16.672 -31.133 245 HE2 PHE 34 HE2 PHE 34 -9.187 19.977 -29.716 246 HZ PHE 34 HZ PHE 34 -8.438 18.498 -31.583 247 H HIS 35 H HIS 35 -5.934 19.916 -24.466 248 HA HIS 35 HA HIS 35 -6.322 22.207 -26.178 249 HB2 HIS 35 HB2 HIS 35 -6.945 23.401 -24.176 250 HB3 HIS 35 HB3 HIS 35 -7.670 21.788 -24.147 251 HD1 HIS 35 HD1 HIS 35 -7.250 20.391 -22.048 252 HD2 HIS 35 HD2 HIS 35 -4.566 23.581 -22.416 253 HE1 HIS 35 HE1 HIS 35 -5.818 20.405 -19.939 254 H ASP 36 H ASP 36 -3.516 21.131 -24.296 255 HA ASP 36 HA ASP 36 -2.328 23.835 -24.302 256 HB2 ASP 36 HB2 ASP 36 -1.337 21.118 -23.380 257 HB3 ASP 36 HB3 ASP 36 -0.325 22.565 -23.379 258 H LEU 37 H LEU 37 -2.421 20.928 -26.179 259 HA LEU 37 HA LEU 37 -0.131 21.580 -27.871 260 HB2 LEU 37 HB2 LEU 37 -2.464 19.679 -28.256 261 HB3 LEU 37 HB3 LEU 37 -1.035 19.733 -29.275 262 HG LEU 37 HG LEU 37 -0.847 19.100 -26.315 263 HD11 LEU 37 HD11 LEU 37 -2.422 17.540 -27.478 264 HD12 LEU 37 HD12 LEU 37 -0.966 16.770 -26.838 265 HD13 LEU 37 HD13 LEU 37 -1.113 17.098 -28.585 266 HD21 LEU 37 HD21 LEU 37 1.188 19.720 -27.441 267 HD22 LEU 37 HD22 LEU 37 0.866 18.437 -28.725 268 HD23 LEU 37 HD23 LEU 37 1.154 17.912 -26.997 269 H GLY 38 H GLY 38 -2.742 23.369 -27.435 270 HA2 GLY 38 HA2 GLY 38 -3.405 25.138 -28.818 271 HA3 GLY 38 HA3 GLY 38 -2.765 24.287 -30.230 272 H GLY 39 H GLY 39 -4.627 22.142 -28.460 273 HA2 GLY 39 HA2 GLY 39 -6.594 22.012 -30.503 274 HA3 GLY 39 HA3 GLY 39 -6.622 21.147 -28.971 275 H SER 40 H SER 40 -8.742 22.370 -30.562 276 HA SER 40 HA SER 40 -9.978 24.046 -28.425 277 HB2 SER 40 HB2 SER 40 -10.912 25.514 -30.191 278 HB3 SER 40 HB3 SER 40 -9.134 25.562 -30.215 279 HG SER 40 HG SER 40 -9.138 24.660 -32.114 280 H SER 41 H SER 41 -12.457 24.105 -28.892 281 HA SER 41 HA SER 41 -13.418 21.449 -29.198 282 HB2 SER 41 HB2 SER 41 -14.983 24.023 -29.605 283 HB3 SER 41 HB3 SER 41 -15.628 22.437 -29.131 284 HG SER 41 HG SER 41 -15.349 23.731 -27.303 285 H ALA 42 H ALA 42 -12.862 24.025 -31.525 286 HA ALA 42 HA ALA 42 -14.424 22.989 -33.676 287 HB1 ALA 42 HB1 ALA 42 -11.901 24.720 -33.654 288 HB2 ALA 42 HB2 ALA 42 -12.938 24.449 -35.077 289 HB3 ALA 42 HB3 ALA 42 -13.585 25.298 -33.655 290 H LEU 43 H LEU 43 -11.146 22.303 -32.499 291 HA LEU 43 HA LEU 43 -10.589 20.512 -34.763 292 HB2 LEU 43 HB2 LEU 43 -9.096 21.174 -32.209 293 HB3 LEU 43 HB3 LEU 43 -8.540 19.982 -33.375 294 HG LEU 43 HG LEU 43 -8.946 22.918 -34.001 295 HD11 LEU 43 HD11 LEU 43 -6.406 21.329 -33.420 296 HD12 LEU 43 HD12 LEU 43 -7.116 22.628 -32.416 297 HD13 LEU 43 HD13 LEU 43 -6.464 22.999 -34.019 298 HD21 LEU 43 HD21 LEU 43 -7.602 22.372 -36.045 299 HD22 LEU 43 HD22 LEU 43 -9.153 21.513 -36.010 300 HD23 LEU 43 HD23 LEU 43 -7.655 20.651 -35.596 301 H ALA 44 H ALA 44 -11.633 20.314 -31.385 302 HA ALA 44 HA ALA 44 -11.199 17.568 -30.972 303 HB1 ALA 44 HB1 ALA 44 -12.868 17.777 -29.179 304 HB2 ALA 44 HB2 ALA 44 -11.772 19.175 -29.186 305 HB3 ALA 44 HB3 ALA 44 -13.422 19.323 -29.860 306 H MET 45 H MET 45 -13.977 19.198 -32.555 307 HA MET 45 HA MET 45 -15.532 16.780 -32.697 308 HB2 MET 45 HB2 MET 45 -16.992 17.990 -34.142 309 HB3 MET 45 HB3 MET 45 -16.384 19.068 -32.893 310 HG2 MET 45 HG2 MET 45 -14.776 20.031 -34.464 311 HG3 MET 45 HG3 MET 45 -15.429 19.000 -35.749 312 HE1 MET 45 HE1 MET 45 -16.784 22.636 -36.585 313 HE2 MET 45 HE2 MET 45 -15.205 22.181 -35.903 314 HE3 MET 45 HE3 MET 45 -15.901 21.231 -37.232 315 H ARG 46 H ARG 46 -12.931 18.065 -34.651 316 HA ARG 46 HA ARG 46 -13.436 16.246 -36.909 317 HB2 ARG 46 HB2 ARG 46 -10.825 17.644 -36.161 318 HB3 ARG 46 HB3 ARG 46 -11.275 16.956 -37.731 319 HG2 ARG 46 HG2 ARG 46 -12.497 19.421 -36.418 320 HG3 ARG 46 HG3 ARG 46 -11.384 19.382 -37.783 321 HD2 ARG 46 HD2 ARG 46 -13.112 18.014 -39.030 322 HD3 ARG 46 HD3 ARG 46 -14.206 18.296 -37.715 323 HE ARG 46 HE ARG 46 -13.073 20.781 -38.608 324 HH11 ARG 46 HH11 ARG 46 -15.459 18.354 -39.619 325 HH12 ARG 46 HH12 ARG 46 -16.328 19.489 -40.618 326 HH21 ARG 46 HH21 ARG 46 -14.243 22.171 -39.957 327 HH22 ARG 46 HH22 ARG 46 -15.654 21.591 -40.798 328 H LEU 47 H LEU 47 -11.702 16.286 -33.882 329 HA LEU 47 HA LEU 47 -10.071 13.924 -34.398 330 HB2 LEU 47 HB2 LEU 47 -9.601 15.562 -32.542 331 HB3 LEU 47 HB3 LEU 47 -11.122 15.116 -31.822 332 HG LEU 47 HG LEU 47 -10.185 12.799 -31.497 333 HD11 LEU 47 HD11 LEU 47 -8.438 12.818 -33.224 334 HD12 LEU 47 HD12 LEU 47 -7.772 12.501 -31.602 335 HD13 LEU 47 HD13 LEU 47 -7.598 14.118 -32.352 336 HD21 LEU 47 HD21 LEU 47 -10.257 14.488 -29.742 337 HD22 LEU 47 HD22 LEU 47 -8.661 15.084 -30.264 338 HD23 LEU 47 HD23 LEU 47 -8.819 13.444 -29.602 339 H ILE 48 H ILE 48 -13.195 14.522 -32.796 340 HA ILE 48 HA ILE 48 -13.777 11.812 -32.145 341 HB ILE 48 HB ILE 48 -15.600 14.157 -32.779 342 HG12 ILE 48 HG12 ILE 48 -15.002 12.908 -30.074 343 HG13 ILE 48 HG13 ILE 48 -13.959 14.152 -30.745 344 HG21 ILE 48 HG21 ILE 48 -17.393 12.809 -31.577 345 HG22 ILE 48 HG22 ILE 48 -16.922 12.131 -33.136 346 HG23 ILE 48 HG23 ILE 48 -16.318 11.405 -31.639 347 HD11 ILE 48 HD11 ILE 48 -15.520 15.129 -29.213 348 HD12 ILE 48 HD12 ILE 48 -15.900 15.679 -30.861 349 HD13 ILE 48 HD13 ILE 48 -16.899 14.422 -30.087 350 H ALA 49 H ALA 49 -14.415 13.706 -35.131 351 HA ALA 49 HA ALA 49 -15.865 11.645 -36.425 352 HB1 ALA 49 HB1 ALA 49 -15.320 12.822 -38.521 353 HB2 ALA 49 HB2 ALA 49 -15.756 13.980 -37.240 354 HB3 ALA 49 HB3 ALA 49 -14.048 13.753 -37.690 355 H ARG 50 H ARG 50 -12.306 12.285 -36.383 356 HA ARG 50 HA ARG 50 -11.587 10.172 -38.202 357 HB2 ARG 50 HB2 ARG 50 -10.204 11.827 -36.091 358 HB3 ARG 50 HB3 ARG 50 -9.488 10.329 -36.596 359 HG2 ARG 50 HG2 ARG 50 -10.256 12.458 -38.523 360 HG3 ARG 50 HG3 ARG 50 -8.648 12.262 -37.831 361 HD2 ARG 50 HD2 ARG 50 -8.744 9.862 -38.777 362 HD3 ARG 50 HD3 ARG 50 -10.128 10.407 -39.713 363 HE ARG 50 HE ARG 50 -8.703 11.841 -40.980 364 HH11 ARG 50 HH11 ARG 50 -6.824 9.931 -38.653 365 HH12 ARG 50 HH12 ARG 50 -5.317 10.309 -39.467 366 HH21 ARG 50 HH21 ARG 50 -6.714 12.253 -41.906 367 HH22 ARG 50 HH22 ARG 50 -5.258 11.563 -41.208 368 H ILE 51 H ILE 51 -12.180 10.264 -34.703 369 HA ILE 51 HA ILE 51 -11.006 7.725 -34.075 370 HB ILE 51 HB ILE 51 -13.138 9.385 -32.680 371 HG12 ILE 51 HG12 ILE 51 -10.335 8.510 -31.867 372 HG13 ILE 51 HG13 ILE 51 -10.601 9.958 -32.823 373 HG21 ILE 51 HG21 ILE 51 -13.810 7.180 -32.130 374 HG22 ILE 51 HG22 ILE 51 -12.109 6.659 -31.960 375 HG23 ILE 51 HG23 ILE 51 -12.818 7.748 -30.773 376 HD11 ILE 51 HD11 ILE 51 -12.062 10.828 -30.962 377 HD12 ILE 51 HD12 ILE 51 -11.596 9.406 -30.009 378 HD13 ILE 51 HD13 ILE 51 -10.360 10.580 -30.498 379 H ARG 52 H ARG 52 -14.217 8.644 -35.419 380 HA ARG 52 HA ARG 52 -15.426 6.062 -34.973 381 HB2 ARG 52 HB2 ARG 52 -16.012 8.062 -37.167 382 HB3 ARG 52 HB3 ARG 52 -16.964 6.693 -36.686 383 HG2 ARG 52 HG2 ARG 52 -17.346 7.721 -34.502 384 HG3 ARG 52 HG3 ARG 52 -16.227 9.048 -34.925 385 HD2 ARG 52 HD2 ARG 52 -18.388 9.888 -35.413 386 HD3 ARG 52 HD3 ARG 52 -17.672 9.411 -36.922 387 HE ARG 52 HE ARG 52 -19.277 7.369 -35.395 388 HH11 ARG 52 HH11 ARG 52 -19.307 9.673 -38.150 389 HH12 ARG 52 HH12 ARG 52 -20.737 8.961 -38.845 390 HH21 ARG 52 HH21 ARG 52 -21.154 6.564 -36.378 391 HH22 ARG 52 HH22 ARG 52 -21.759 7.262 -37.855 392 H GLU 53 H GLU 53 -13.308 7.351 -37.481 393 HA GLU 53 HA GLU 53 -13.903 5.310 -39.501 394 HB2 GLU 53 HB2 GLU 53 -11.423 6.932 -39.136 395 HB3 GLU 53 HB3 GLU 53 -12.060 6.274 -40.657 396 HG2 GLU 53 HG2 GLU 53 -13.281 8.576 -39.116 397 HG3 GLU 53 HG3 GLU 53 -12.329 8.733 -40.538 398 H GLU 54 H GLU 54 -11.642 5.912 -36.866 399 HA GLU 54 HA GLU 54 -9.908 3.703 -37.707 400 HB2 GLU 54 HB2 GLU 54 -9.751 5.838 -35.633 401 HB3 GLU 54 HB3 GLU 54 -8.616 4.510 -35.589 402 HG2 GLU 54 HG2 GLU 54 -8.759 5.542 -38.297 403 HG3 GLU 54 HG3 GLU 54 -8.479 6.880 -37.161 404 H LEU 55 H LEU 55 -11.866 4.526 -34.806 405 HA LEU 55 HA LEU 55 -11.298 1.758 -33.771 406 HB2 LEU 55 HB2 LEU 55 -12.689 4.081 -32.396 407 HB3 LEU 55 HB3 LEU 55 -12.106 2.580 -31.646 408 HG LEU 55 HG LEU 55 -10.411 4.912 -32.631 409 HD11 LEU 55 HD11 LEU 55 -11.662 5.198 -30.483 410 HD12 LEU 55 HD12 LEU 55 -9.875 5.183 -30.246 411 HD13 LEU 55 HD13 LEU 55 -10.864 3.718 -29.844 412 HD21 LEU 55 HD21 LEU 55 -9.134 2.867 -33.042 413 HD22 LEU 55 HD22 LEU 55 -9.518 2.260 -31.418 414 HD23 LEU 55 HD23 LEU 55 -8.465 3.697 -31.613 415 H GLY 56 H GLY 56 -13.587 3.376 -35.543 416 HA2 GLY 56 HA2 GLY 56 -15.623 2.581 -36.286 417 HA3 GLY 56 HA3 GLY 56 -15.370 1.107 -35.351 418 H VAL 57 H VAL 57 -15.275 4.082 -33.538 419 HA VAL 57 HA VAL 57 -18.119 3.713 -32.742 420 HB VAL 57 HB VAL 57 -17.481 3.875 -30.320 421 HG11 VAL 57 HG11 VAL 57 -16.770 1.566 -30.019 422 HG12 VAL 57 HG12 VAL 57 -17.881 1.650 -31.407 423 HG13 VAL 57 HG13 VAL 57 -16.129 1.502 -31.682 424 HG21 VAL 57 HG21 VAL 57 -15.162 3.517 -29.587 425 HG22 VAL 57 HG22 VAL 57 -14.610 3.445 -31.272 426 HG23 VAL 57 HG23 VAL 57 -15.253 4.967 -30.604 427 H ASP 58 H ASP 58 -19.020 5.511 -31.589 428 HA ASP 58 HA ASP 58 -17.858 8.083 -32.422 429 HB2 ASP 58 HB2 ASP 58 -20.319 7.592 -32.565 430 HB3 ASP 58 HB3 ASP 58 -20.355 7.503 -30.795 431 H LEU 59 H LEU 59 -16.516 9.219 -31.160 432 HA LEU 59 HA LEU 59 -15.899 8.289 -28.497 433 HB2 LEU 59 HB2 LEU 59 -14.321 9.355 -30.137 434 HB3 LEU 59 HB3 LEU 59 -15.106 10.872 -29.835 435 HG LEU 59 HG LEU 59 -12.958 10.739 -28.732 436 HD11 LEU 59 HD11 LEU 59 -14.966 10.631 -26.506 437 HD12 LEU 59 HD12 LEU 59 -14.822 12.008 -27.618 438 HD13 LEU 59 HD13 LEU 59 -13.444 11.529 -26.605 439 HD21 LEU 59 HD21 LEU 59 -12.913 8.282 -28.424 440 HD22 LEU 59 HD22 LEU 59 -14.054 8.457 -27.078 441 HD23 LEU 59 HD23 LEU 59 -12.433 9.186 -26.973 442 HA PRO 60 HA PRO 60 -19.197 10.795 -26.709 443 HB2 PRO 60 HB2 PRO 60 -18.756 10.238 -24.066 444 HB3 PRO 60 HB3 PRO 60 -19.524 9.073 -25.190 445 HG2 PRO 60 HG2 PRO 60 -16.633 9.226 -24.341 446 HG3 PRO 60 HG3 PRO 60 -17.728 7.807 -24.352 447 HD2 PRO 60 HD2 PRO 60 -15.976 8.275 -26.351 448 HD3 PRO 60 HD3 PRO 60 -17.613 7.601 -26.665 449 H ILE 61 H ILE 61 -18.696 12.896 -27.062 450 HA ILE 61 HA ILE 61 -16.308 14.165 -26.426 451 HB ILE 61 HB ILE 61 -18.130 14.931 -27.995 452 HG12 ILE 61 HG12 ILE 61 -17.074 17.071 -26.160 453 HG13 ILE 61 HG13 ILE 61 -16.050 16.227 -27.309 454 HG21 ILE 61 HG21 ILE 61 -19.316 16.315 -25.550 455 HG22 ILE 61 HG22 ILE 61 -19.893 16.391 -27.227 456 HG23 ILE 61 HG23 ILE 61 -20.016 14.868 -26.328 457 HD11 ILE 61 HD11 ILE 61 -18.371 18.073 -27.934 458 HD12 ILE 61 HD12 ILE 61 -16.661 18.321 -28.326 459 HD13 ILE 61 HD13 ILE 61 -17.596 17.058 -29.166 460 H ARG 62 H ARG 62 -18.965 13.658 -24.153 461 HA ARG 62 HA ARG 62 -18.163 15.674 -22.268 462 HB2 ARG 62 HB2 ARG 62 -19.673 13.080 -22.029 463 HB3 ARG 62 HB3 ARG 62 -19.249 14.000 -20.598 464 HG2 ARG 62 HG2 ARG 62 -20.804 15.222 -22.871 465 HG3 ARG 62 HG3 ARG 62 -21.570 14.427 -21.481 466 HD2 ARG 62 HD2 ARG 62 -19.646 16.791 -21.264 467 HD3 ARG 62 HD3 ARG 62 -21.402 16.961 -21.322 468 HE ARG 62 HE ARG 62 -19.765 15.914 -19.073 469 HH11 ARG 62 HH11 ARG 62 -23.036 16.621 -20.281 470 HH12 ARG 62 HH12 ARG 62 -23.722 16.521 -18.684 471 HH21 ARG 62 HH21 ARG 62 -20.729 15.765 -17.131 472 HH22 ARG 62 HH22 ARG 62 -22.442 16.071 -16.925 473 H GLN 63 H GLN 63 -17.033 12.372 -22.938 474 HA GLN 63 HA GLN 63 -15.345 12.250 -20.563 475 HB2 GLN 63 HB2 GLN 63 -15.230 10.577 -23.057 476 HB3 GLN 63 HB3 GLN 63 -14.411 10.273 -21.569 477 HG2 GLN 63 HG2 GLN 63 -17.414 10.353 -21.997 478 HG3 GLN 63 HG3 GLN 63 -16.433 8.905 -21.783 479 HE21 GLN 63 HE21 GLN 63 -18.017 11.507 -20.235 480 HE22 GLN 63 HE22 GLN 63 -17.701 11.016 -18.583 481 H LEU 64 H LEU 64 -15.047 13.294 -23.924 482 HA LEU 64 HA LEU 64 -12.198 13.549 -23.925 483 HB2 LEU 64 HB2 LEU 64 -13.725 13.583 -25.921 484 HB3 LEU 64 HB3 LEU 64 -14.223 15.202 -25.466 485 HG LEU 64 HG LEU 64 -11.911 16.030 -25.810 486 HD11 LEU 64 HD11 LEU 64 -11.341 13.176 -26.720 487 HD12 LEU 64 HD12 LEU 64 -10.619 14.018 -25.299 488 HD13 LEU 64 HD13 LEU 64 -10.267 14.593 -26.980 489 HD21 LEU 64 HD21 LEU 64 -11.923 15.848 -28.250 490 HD22 LEU 64 HD22 LEU 64 -13.583 16.085 -27.610 491 HD23 LEU 64 HD23 LEU 64 -13.047 14.459 -28.148 492 H PHE 65 H PHE 65 -14.835 15.817 -23.068 493 HA PHE 65 HA PHE 65 -13.011 17.985 -22.489 494 HB2 PHE 65 HB2 PHE 65 -15.852 17.450 -21.557 495 HB3 PHE 65 HB3 PHE 65 -14.961 18.940 -21.253 496 HD1 PHE 65 HD2 PHE 65 -13.565 19.047 -24.099 497 HD2 PHE 65 HD1 PHE 65 -17.646 18.511 -22.776 498 HE1 PHE 65 HE2 PHE 65 -14.373 20.015 -26.217 499 HE2 PHE 65 HE1 PHE 65 -18.454 19.513 -24.904 500 HZ PHE 65 HZ PHE 65 -16.835 20.276 -26.625 501 H SER 66 H SER 66 -14.438 15.366 -20.535 502 HA SER 66 HA SER 66 -13.519 16.431 -18.014 503 HB2 SER 66 HB2 SER 66 -15.391 14.779 -18.290 504 HB3 SER 66 HB3 SER 66 -14.196 13.579 -18.757 505 HG SER 66 HG SER 66 -13.189 14.161 -16.624 506 H SER 67 H SER 67 -12.063 14.413 -20.510 507 HA SER 67 HA SER 67 -9.511 14.415 -18.965 508 HB2 SER 67 HB2 SER 67 -10.752 11.970 -20.287 509 HB3 SER 67 HB3 SER 67 -9.159 12.046 -19.500 510 HG SER 67 HG SER 67 -10.742 12.976 -17.714 511 HA PRO 68 HA PRO 68 -9.131 15.592 -23.404 512 HB2 PRO 68 HB2 PRO 68 -7.619 17.843 -23.127 513 HB3 PRO 68 HB3 PRO 68 -9.352 17.829 -22.673 514 HG2 PRO 68 HG2 PRO 68 -6.961 17.414 -20.922 515 HG3 PRO 68 HG3 PRO 68 -8.292 18.602 -20.741 516 HD2 PRO 68 HD2 PRO 68 -8.315 16.242 -19.420 517 HD3 PRO 68 HD3 PRO 68 -9.825 16.963 -20.078 518 H THR 69 H THR 69 -7.439 13.570 -21.989 519 HA THR 69 HA THR 69 -4.912 14.060 -23.504 520 HB THR 69 HB THR 69 -3.699 12.660 -21.878 521 HG1 THR 69 HG1 THR 69 -4.811 12.174 -19.891 522 HG21 THR 69 HG21 THR 69 -3.872 15.090 -21.494 523 HG22 THR 69 HG22 THR 69 -3.626 14.128 -20.021 524 HG23 THR 69 HG23 THR 69 -5.240 14.779 -20.400 525 HA PRO 70 HA PRO 70 -6.262 10.650 -25.630 526 HB2 PRO 70 HB2 PRO 70 -4.063 9.268 -26.497 527 HB3 PRO 70 HB3 PRO 70 -4.471 10.921 -27.063 528 HG2 PRO 70 HG2 PRO 70 -2.591 10.129 -24.901 529 HG3 PRO 70 HG3 PRO 70 -2.336 11.187 -26.315 530 HD2 PRO 70 HD2 PRO 70 -2.911 12.208 -23.898 531 HD3 PRO 70 HD3 PRO 70 -3.584 12.938 -25.398 532 H ALA 71 H ALA 71 -3.957 9.672 -23.014 533 HA ALA 71 HA ALA 71 -5.147 6.985 -22.976 534 HB1 ALA 71 HB1 ALA 71 -3.748 6.636 -20.985 535 HB2 ALA 71 HB2 ALA 71 -2.785 7.336 -22.298 536 HB3 ALA 71 HB3 ALA 71 -3.333 8.361 -20.951 537 H GLY 72 H GLY 72 -5.653 10.135 -21.467 538 HA2 GLY 72 HA2 GLY 72 -7.083 9.156 -19.178 539 HA3 GLY 72 HA3 GLY 72 -7.165 10.792 -19.856 540 H VAL 73 H VAL 73 -8.144 10.443 -22.354 541 HA VAL 73 HA VAL 73 -10.882 10.163 -21.752 542 HB VAL 73 HB VAL 73 -9.872 11.555 -23.585 543 HG11 VAL 73 HG11 VAL 73 -9.878 8.997 -25.231 544 HG12 VAL 73 HG12 VAL 73 -9.491 10.644 -25.790 545 HG13 VAL 73 HG13 VAL 73 -8.414 9.852 -24.608 546 HG21 VAL 73 HG21 VAL 73 -12.272 11.164 -23.341 547 HG22 VAL 73 HG22 VAL 73 -11.767 11.386 -25.061 548 HG23 VAL 73 HG23 VAL 73 -12.132 9.729 -24.441 549 H ALA 74 H ALA 74 -8.535 7.847 -23.077 550 HA ALA 74 HA ALA 74 -10.382 5.872 -23.976 551 HB1 ALA 74 HB1 ALA 74 -7.523 5.554 -22.893 552 HB2 ALA 74 HB2 ALA 74 -8.412 4.364 -23.880 553 HB3 ALA 74 HB3 ALA 74 -7.945 5.935 -24.571 554 H ARG 75 H ARG 75 -8.756 6.384 -20.848 555 HA ARG 75 HA ARG 75 -9.989 4.007 -19.708 556 HB2 ARG 75 HB2 ARG 75 -8.502 6.269 -18.327 557 HB3 ARG 75 HB3 ARG 75 -8.970 4.751 -17.570 558 HG2 ARG 75 HG2 ARG 75 -7.663 3.527 -19.346 559 HG3 ARG 75 HG3 ARG 75 -7.044 5.087 -19.920 560 HD2 ARG 75 HD2 ARG 75 -6.314 5.437 -17.434 561 HD3 ARG 75 HD3 ARG 75 -6.511 3.677 -17.287 562 HE ARG 75 HE ARG 75 -4.383 5.143 -18.581 563 HH11 ARG 75 HH11 ARG 75 -6.124 2.067 -18.900 564 HH12 ARG 75 HH12 ARG 75 -4.747 1.290 -19.652 565 HH21 ARG 75 HH21 ARG 75 -2.675 4.006 -19.486 566 HH22 ARG 75 HH22 ARG 75 -2.906 2.347 -19.970 567 H ALA 76 H ALA 76 -10.695 7.492 -19.750 568 HA ALA 76 HA ALA 76 -12.690 7.450 -17.709 569 HB1 ALA 76 HB1 ALA 76 -13.444 9.577 -18.734 570 HB2 ALA 76 HB2 ALA 76 -11.669 9.514 -18.609 571 HB3 ALA 76 HB3 ALA 76 -12.460 9.226 -20.174 572 H LEU 77 H LEU 77 -13.089 7.168 -21.301 573 HA LEU 77 HA LEU 77 -15.920 6.743 -21.099 574 HB2 LEU 77 HB2 LEU 77 -15.783 5.965 -23.417 575 HB3 LEU 77 HB3 LEU 77 -14.839 7.436 -23.176 576 HG LEU 77 HG LEU 77 -12.854 5.725 -22.922 577 HD11 LEU 77 HD11 LEU 77 -12.883 3.857 -24.476 578 HD12 LEU 77 HD12 LEU 77 -14.566 4.259 -24.865 579 HD13 LEU 77 HD13 LEU 77 -14.167 3.655 -23.273 580 HD21 LEU 77 HD21 LEU 77 -13.118 7.607 -24.432 581 HD22 LEU 77 HD22 LEU 77 -14.046 6.586 -25.566 582 HD23 LEU 77 HD23 LEU 77 -12.333 6.235 -25.210 583 H ALA 78 H ALA 78 -13.134 4.591 -20.860 584 HA ALA 78 HA ALA 78 -14.680 2.180 -20.966 585 HB1 ALA 78 HB1 ALA 78 -12.732 1.112 -19.909 586 HB2 ALA 78 HB2 ALA 78 -12.205 2.221 -21.193 587 HB3 ALA 78 HB3 ALA 78 -12.054 2.699 -19.486 588 H ALA 79 H ALA 79 -13.851 4.384 -18.272 589 HA ALA 79 HA ALA 79 -14.952 2.729 -16.194 590 HB1 ALA 79 HB1 ALA 79 -14.861 4.792 -14.844 591 HB2 ALA 79 HB2 ALA 79 -13.368 4.613 -15.795 592 HB3 ALA 79 HB3 ALA 79 -14.618 5.769 -16.307 593 H LYS 80 H LYS 80 -16.324 5.173 -18.393 594 HA LYS 80 HA LYS 80 -18.888 5.346 -17.110 595 HB2 LYS 80 HB2 LYS 80 -18.051 6.965 -18.790 596 HB3 LYS 80 HB3 LYS 80 -18.164 5.722 -20.042 597 HG2 LYS 80 HG2 LYS 80 -20.557 5.601 -19.814 598 HG3 LYS 80 HG3 LYS 80 -20.517 6.680 -18.406 599 HD2 LYS 80 HD2 LYS 80 -19.812 8.536 -19.774 600 HD3 LYS 80 HD3 LYS 80 -19.613 7.476 -21.188 601 HE2 LYS 80 HE2 LYS 80 -21.756 8.724 -21.283 602 HE3 LYS 80 HE3 LYS 80 -22.003 6.969 -21.205 603 HZ1 LYS 80 HZ1 LYS 80 -22.446 7.184 -18.834 604 HZ2 LYS 80 HZ2 LYS 80 -23.492 8.126 -19.701 605 HZ3 LYS 80 HZ3 LYS 80 -22.228 8.820 -18.896 606 H SER 81 H SER 81 -17.452 2.952 -19.223 607 HA SER 81 HA SER 81 -20.064 1.655 -19.710 608 HB2 SER 81 HB2 SER 81 -17.261 0.949 -20.644 609 HB3 SER 81 HB3 SER 81 -18.774 0.201 -21.208 610 HG SER 81 HG SER 81 -17.650 2.218 -22.295 611 H ALA 82 H ALA 82 -17.921 1.651 -17.184 612 HA ALA 82 HA ALA 82 -17.593 -1.208 -16.813 613 HB1 ALA 82 HB1 ALA 82 -16.014 0.457 -15.871 614 HB2 ALA 82 HB2 ALA 82 -17.311 1.099 -14.837 615 HB3 ALA 82 HB3 ALA 82 -16.722 -0.559 -14.590 616 H SER 83 H SER 83 -18.568 -2.481 -15.148 617 HA SER 83 HA SER 83 -21.425 -2.101 -14.978 618 HB2 SER 83 HB2 SER 83 -20.259 -4.317 -15.159 619 HB3 SER 83 HB3 SER 83 -19.668 -4.100 -13.498 620 HG SER 83 HG SER 83 -22.070 -3.749 -13.072 621 H TRP 84 H TRP 84 -18.985 -0.676 -13.191 622 HA TRP 84 HA TRP 84 -20.854 0.101 -11.077 623 HB2 TRP 84 HB2 TRP 84 -19.286 -0.455 -9.261 624 HB3 TRP 84 HB3 TRP 84 -19.788 -1.930 -10.102 625 HD1 TRP 84 HD1 TRP 84 -17.910 -3.195 -11.570 626 HE1 TRP 84 HE1 TRP 84 -15.368 -3.143 -11.618 627 HE3 TRP 84 HE3 TRP 84 -17.247 1.116 -8.896 628 HZ2 TRP 84 HZ2 TRP 84 -13.296 -1.430 -10.656 629 HZ3 TRP 84 HZ3 TRP 84 -14.912 1.919 -8.478 630 HH2 TRP 84 HH2 TRP 84 -12.962 0.645 -9.355 631 H SER 85 H SER 85 -20.060 2.108 -10.104 632 HA SER 85 HA SER 85 -17.490 3.187 -10.967 633 HB2 SER 85 HB2 SER 85 -18.485 5.175 -12.090 634 HB3 SER 85 HB3 SER 85 -18.811 3.675 -12.984 635 HG SER 85 HG SER 85 -20.882 3.706 -12.316 636 H HIS 86 H HIS 86 -17.108 5.270 -9.889 637 HA HIS 86 HA HIS 86 -18.739 5.588 -7.425 638 HB2 HIS 86 HB2 HIS 86 -16.085 6.787 -8.312 639 HB3 HIS 86 HB3 HIS 86 -16.914 7.196 -6.806 640 HD1 HIS 86 HD1 HIS 86 -17.261 5.047 -5.104 641 HD2 HIS 86 HD2 HIS 86 -14.425 4.657 -8.120 642 HE1 HIS 86 HE1 HIS 86 -15.764 3.120 -4.449 643 HA PRO 87 HA PRO 87 -20.603 9.024 -9.490 644 HB2 PRO 87 HB2 PRO 87 -21.353 10.692 -7.454 645 HB3 PRO 87 HB3 PRO 87 -22.178 9.129 -7.763 646 HG2 PRO 87 HG2 PRO 87 -20.001 9.759 -5.777 647 HG3 PRO 87 HG3 PRO 87 -21.557 8.907 -5.514 648 HD2 PRO 87 HD2 PRO 87 -19.227 7.573 -5.893 649 HD3 PRO 87 HD3 PRO 87 -20.788 6.946 -6.533 650 H GLN 88 H GLN 88 -20.022 11.107 -10.246 651 HA GLN 88 HA GLN 88 -17.727 12.454 -8.932 652 HB2 GLN 88 HB2 GLN 88 -16.856 10.883 -10.691 653 HB3 GLN 88 HB3 GLN 88 -17.858 11.721 -11.886 654 HG2 GLN 88 HG2 GLN 88 -16.603 13.805 -11.489 655 HG3 GLN 88 HG3 GLN 88 -15.606 12.983 -10.280 656 HE21 GLN 88 HE21 GLN 88 -14.120 14.075 -12.063 657 HE22 GLN 88 HE22 GLN 88 -13.571 12.954 -13.288 658 H PHE 89 H PHE 89 -17.914 14.643 -9.039 659 HA PHE 89 HA PHE 89 -20.342 15.745 -10.307 660 HB2 PHE 89 HB2 PHE 89 -19.639 16.530 -8.064 661 HB3 PHE 89 HB3 PHE 89 -18.082 17.040 -8.727 662 HD1 PHE 89 HD2 PHE 89 -21.751 17.727 -8.778 663 HD2 PHE 89 HD1 PHE 89 -17.835 19.127 -9.894 664 HE1 PHE 89 HE2 PHE 89 -22.715 19.959 -9.348 665 HE2 PHE 89 HE1 PHE 89 -18.790 21.360 -10.452 666 HZ PHE 89 HZ PHE 89 -21.230 21.779 -10.181 667 H GLU 90 H GLU 90 -20.291 17.067 -12.136 668 HA GLU 90 HA GLU 90 -17.701 17.854 -13.282 669 HB2 GLU 90 HB2 GLU 90 -18.641 15.652 -14.375 670 HB3 GLU 90 HB3 GLU 90 -19.895 16.705 -15.029 671 HG2 GLU 90 HG2 GLU 90 -17.925 18.115 -15.949 672 HG3 GLU 90 HG3 GLU 90 -16.924 16.711 -15.596 673 H LYS 91 H LYS 91 -18.002 19.700 -14.655 674 HA LYS 91 HA LYS 91 -20.150 21.486 -13.855 675 HB2 LYS 91 HB2 LYS 91 -18.942 23.020 -15.430 676 HB3 LYS 91 HB3 LYS 91 -17.758 22.151 -14.238 677 HG2 LYS 91 HG2 LYS 91 -16.680 22.079 -16.242 678 HG3 LYS 91 HG3 LYS 91 -17.535 20.487 -16.274 679 HD2 LYS 91 HD2 LYS 91 -19.266 22.246 -17.382 680 HD3 LYS 91 HD3 LYS 91 -17.874 23.028 -18.101 681 HE2 LYS 91 HE2 LYS 91 -18.079 21.748 -19.636 682 HE3 LYS 91 HE3 LYS 91 -16.781 21.183 -18.622 683 HZ1 LYS 91 HZ1 LYS 91 -18.724 19.560 -19.558 684 HZ2 LYS 91 HZ2 LYS 91 -19.436 19.938 -18.100 685 HZ3 LYS 91 HZ3 LYS 91 -17.938 19.248 -18.161 Start of MODEL 2 1 H1 GLY 1 H GLY 1 7.751 7.661 -4.481 2 HA2 GLY 1 HA2 GLY 1 9.235 6.189 -5.549 3 HA3 GLY 1 HA3 GLY 1 7.808 5.209 -5.941 4 H ALA 2 H ALA 2 9.471 4.948 -7.915 5 HA ALA 2 HA ALA 2 9.485 7.113 -9.827 6 HB1 ALA 2 HB1 ALA 2 11.146 5.260 -9.887 7 HB2 ALA 2 HB2 ALA 2 9.834 4.099 -10.222 8 HB3 ALA 2 HB3 ALA 2 10.236 5.357 -11.412 9 H MET 3 H MET 3 8.168 7.316 -11.711 10 HA MET 3 HA MET 3 5.408 6.458 -11.295 11 HB2 MET 3 HB2 MET 3 6.052 8.719 -12.155 12 HB3 MET 3 HB3 MET 3 6.694 7.955 -13.614 13 HG2 MET 3 HG2 MET 3 4.478 8.888 -14.018 14 HG3 MET 3 HG3 MET 3 4.448 7.124 -14.172 15 HE1 MET 3 HE1 MET 3 0.895 7.776 -12.709 16 HE2 MET 3 HE2 MET 3 1.772 8.754 -13.911 17 HE3 MET 3 HE3 MET 3 1.854 6.977 -13.981 18 H ALA 4 H ALA 4 4.347 4.842 -12.361 19 HA ALA 4 HA ALA 4 5.953 2.938 -13.897 20 HB1 ALA 4 HB1 ALA 4 2.964 3.000 -13.256 21 HB2 ALA 4 HB2 ALA 4 3.851 1.625 -13.952 22 HB3 ALA 4 HB3 ALA 4 4.212 2.163 -12.295 23 H LYS 5 H LYS 5 5.598 2.409 -16.109 24 HA LYS 5 HA LYS 5 4.956 4.609 -17.841 25 HB2 LYS 5 HB2 LYS 5 6.463 2.639 -18.412 26 HB3 LYS 5 HB3 LYS 5 5.005 1.641 -18.526 27 HG2 LYS 5 HG2 LYS 5 4.168 3.259 -20.299 28 HG3 LYS 5 HG3 LYS 5 5.768 4.002 -20.290 29 HD2 LYS 5 HD2 LYS 5 6.773 1.922 -21.042 30 HD3 LYS 5 HD3 LYS 5 5.227 1.062 -20.832 31 HE2 LYS 5 HE2 LYS 5 4.175 2.547 -22.516 32 HE3 LYS 5 HE3 LYS 5 5.734 3.350 -22.778 33 HZ1 LYS 5 HZ1 LYS 5 5.333 0.456 -23.190 34 HZ2 LYS 5 HZ2 LYS 5 6.608 1.373 -23.696 35 HZ3 LYS 5 HZ3 LYS 5 5.115 1.562 -24.391 36 H ALA 6 H ALA 6 3.104 5.065 -18.995 37 HA ALA 6 HA ALA 6 0.568 4.228 -18.028 38 HB1 ALA 6 HB1 ALA 6 1.012 6.341 -19.252 39 HB2 ALA 6 HB2 ALA 6 1.320 5.406 -20.733 40 HB3 ALA 6 HB3 ALA 6 -0.291 5.404 -19.997 41 HA PRO 7 HA PRO 7 0.161 0.342 -19.898 42 HB2 PRO 7 HB2 PRO 7 -2.506 0.082 -20.464 43 HB3 PRO 7 HB3 PRO 7 -1.869 0.132 -18.787 44 HG2 PRO 7 HG2 PRO 7 -2.982 2.388 -20.442 45 HG3 PRO 7 HG3 PRO 7 -3.456 1.861 -18.794 46 HD2 PRO 7 HD2 PRO 7 -1.738 3.884 -19.134 47 HD3 PRO 7 HD3 PRO 7 -1.454 2.666 -17.843 48 H GLU 8 H GLU 8 0.203 -0.808 -21.733 49 HA GLU 8 HA GLU 8 -0.272 0.613 -24.307 50 HB2 GLU 8 HB2 GLU 8 1.286 -1.889 -23.561 51 HB3 GLU 8 HB3 GLU 8 1.005 -1.384 -25.227 52 HG2 GLU 8 HG2 GLU 8 2.379 0.408 -23.195 53 HG3 GLU 8 HG3 GLU 8 3.256 -0.790 -24.151 54 H SER 9 H SER 9 -2.353 0.244 -25.042 55 HA SER 9 HA SER 9 -3.120 -2.583 -25.383 56 HB2 SER 9 HB2 SER 9 -4.162 -1.868 -23.202 57 HB3 SER 9 HB3 SER 9 -5.047 -0.627 -24.099 58 HG SER 9 HG SER 9 -6.233 -2.587 -23.801 59 H ALA 10 H ALA 10 -5.177 -2.608 -26.824 60 HA ALA 10 HA ALA 10 -4.430 -1.297 -29.209 61 HB1 ALA 10 HB1 ALA 10 -5.742 -3.385 -29.149 62 HB2 ALA 10 HB2 ALA 10 -7.128 -2.505 -28.460 63 HB3 ALA 10 HB3 ALA 10 -6.571 -2.140 -30.111 64 H THR 11 H THR 11 -7.018 -0.404 -26.892 65 HA THR 11 HA THR 11 -8.134 1.634 -28.502 66 HB THR 11 HB THR 11 -7.932 1.716 -25.447 67 HG1 THR 11 HG1 THR 11 -9.744 0.332 -25.479 68 HG21 THR 11 HG21 THR 11 -9.113 3.618 -26.601 69 HG22 THR 11 HG22 THR 11 -10.212 2.650 -25.611 70 HG23 THR 11 HG23 THR 11 -10.195 2.448 -27.389 71 H GLU 12 H GLU 12 -5.562 1.767 -26.025 72 HA GLU 12 HA GLU 12 -5.117 4.546 -26.058 73 HB2 GLU 12 HB2 GLU 12 -3.227 2.208 -25.605 74 HB3 GLU 12 HB3 GLU 12 -2.752 3.896 -25.414 75 HG2 GLU 12 HG2 GLU 12 -3.269 3.402 -23.261 76 HG3 GLU 12 HG3 GLU 12 -4.826 4.018 -23.824 77 H LYS 13 H LYS 13 -3.851 2.005 -28.229 78 HA LYS 13 HA LYS 13 -2.004 3.769 -29.572 79 HB2 LYS 13 HB2 LYS 13 -3.309 1.184 -30.487 80 HB3 LYS 13 HB3 LYS 13 -1.956 1.983 -31.306 81 HG2 LYS 13 HG2 LYS 13 -0.555 1.706 -29.335 82 HG3 LYS 13 HG3 LYS 13 -1.915 1.009 -28.447 83 HD2 LYS 13 HD2 LYS 13 -2.035 -0.827 -30.138 84 HD3 LYS 13 HD3 LYS 13 -0.555 -0.181 -30.878 85 HE2 LYS 13 HE2 LYS 13 -0.848 -1.151 -27.999 86 HE3 LYS 13 HE3 LYS 13 -0.074 -2.048 -29.321 87 HZ1 LYS 13 HZ1 LYS 13 1.642 -1.004 -28.135 88 HZ2 LYS 13 HZ2 LYS 13 0.867 0.439 -28.022 89 HZ3 LYS 13 HZ3 LYS 13 1.467 -0.064 -29.480 90 H VAL 14 H VAL 14 -5.413 2.935 -30.152 91 HA VAL 14 HA VAL 14 -5.540 4.216 -32.746 92 HB VAL 14 HB VAL 14 -7.740 3.682 -30.682 93 HG11 VAL 14 HG11 VAL 14 -8.481 5.468 -32.169 94 HG12 VAL 14 HG12 VAL 14 -7.935 4.561 -33.600 95 HG13 VAL 14 HG13 VAL 14 -9.298 3.964 -32.634 96 HG21 VAL 14 HG21 VAL 14 -6.672 1.629 -31.569 97 HG22 VAL 14 HG22 VAL 14 -8.342 1.790 -32.140 98 HG23 VAL 14 HG23 VAL 14 -6.997 2.179 -33.228 99 H LEU 15 H LEU 15 -6.240 5.206 -29.382 100 HA LEU 15 HA LEU 15 -7.040 7.889 -30.022 101 HB2 LEU 15 HB2 LEU 15 -5.781 6.661 -27.578 102 HB3 LEU 15 HB3 LEU 15 -6.404 8.298 -27.612 103 HG LEU 15 HG LEU 15 -8.133 5.894 -28.274 104 HD11 LEU 15 HD11 LEU 15 -7.012 5.597 -26.136 105 HD12 LEU 15 HD12 LEU 15 -8.754 5.898 -25.906 106 HD13 LEU 15 HD13 LEU 15 -7.570 7.195 -25.595 107 HD21 LEU 15 HD21 LEU 15 -9.075 8.080 -28.901 108 HD22 LEU 15 HD22 LEU 15 -8.779 8.701 -27.261 109 HD23 LEU 15 HD23 LEU 15 -9.960 7.398 -27.525 110 H CYS 16 H CYS 16 -3.819 6.483 -29.293 111 HA CYS 16 HA CYS 16 -2.358 8.923 -29.271 112 HB2 CYS 16 HB2 CYS 16 -1.629 6.137 -30.249 113 HB3 CYS 16 HB3 CYS 16 -0.493 7.462 -30.152 114 HG CYS 16 HG CYS 16 -2.232 6.123 -27.721 115 H ALA 17 H ALA 17 -3.237 6.792 -32.070 116 HA ALA 17 HA ALA 17 -1.913 8.537 -33.966 117 HB1 ALA 17 HB1 ALA 17 -4.174 6.508 -34.387 118 HB2 ALA 17 HB2 ALA 17 -3.149 7.218 -35.666 119 HB3 ALA 17 HB3 ALA 17 -2.434 6.147 -34.440 120 H LEU 18 H LEU 18 -5.187 8.402 -32.611 121 HA LEU 18 HA LEU 18 -6.270 10.313 -34.379 122 HB2 LEU 18 HB2 LEU 18 -7.033 8.877 -32.004 123 HB3 LEU 18 HB3 LEU 18 -7.399 10.555 -31.776 124 HG LEU 18 HG LEU 18 -8.857 10.602 -33.699 125 HD11 LEU 18 HD11 LEU 18 -7.969 7.721 -34.207 126 HD12 LEU 18 HD12 LEU 18 -7.655 9.119 -35.265 127 HD13 LEU 18 HD13 LEU 18 -9.324 8.546 -35.031 128 HD21 LEU 18 HD21 LEU 18 -9.224 8.132 -32.011 129 HD22 LEU 18 HD22 LEU 18 -10.496 8.931 -32.945 130 HD23 LEU 18 HD23 LEU 18 -9.728 9.776 -31.599 131 H TYR 19 H TYR 19 -4.436 10.687 -31.317 132 HA TYR 19 HA TYR 19 -4.762 13.529 -31.092 133 HB2 TYR 19 HB2 TYR 19 -2.666 11.547 -30.236 134 HB3 TYR 19 HB3 TYR 19 -2.297 13.224 -30.101 135 HD1 TYR 19 HD1 TYR 19 -5.597 11.580 -29.255 136 HD2 TYR 19 HD2 TYR 19 -2.066 13.574 -27.809 137 HE1 TYR 19 HE1 TYR 19 -6.612 11.759 -26.943 138 HE2 TYR 19 HE2 TYR 19 -3.064 13.694 -25.560 139 HH TYR 19 HH TYR 19 -4.864 13.340 -24.271 140 H ALA 20 H ALA 20 -2.460 11.431 -32.883 141 HA ALA 20 HA ALA 20 -0.821 13.555 -33.708 142 HB1 ALA 20 HB1 ALA 20 -0.461 10.948 -33.923 143 HB2 ALA 20 HB2 ALA 20 -1.459 11.039 -35.385 144 HB3 ALA 20 HB3 ALA 20 0.079 11.909 -35.309 145 H GLU 21 H GLU 21 -3.685 12.201 -35.290 146 HA GLU 21 HA GLU 21 -3.485 13.636 -37.728 147 HB2 GLU 21 HB2 GLU 21 -5.841 12.464 -36.209 148 HB3 GLU 21 HB3 GLU 21 -6.035 13.251 -37.771 149 HG2 GLU 21 HG2 GLU 21 -4.018 11.041 -37.531 150 HG3 GLU 21 HG3 GLU 21 -5.741 10.638 -37.598 151 H ILE 22 H ILE 22 -4.892 14.468 -34.596 152 HA ILE 22 HA ILE 22 -6.287 16.826 -35.543 153 HB ILE 22 HB ILE 22 -5.691 15.583 -32.886 154 HG12 ILE 22 HG12 ILE 22 -7.141 14.360 -34.476 155 HG13 ILE 22 HG13 ILE 22 -8.090 14.763 -33.027 156 HG21 ILE 22 HG21 ILE 22 -7.497 18.029 -33.511 157 HG22 ILE 22 HG22 ILE 22 -7.669 17.083 -32.035 158 HG23 ILE 22 HG23 ILE 22 -6.143 17.922 -32.337 159 HD11 ILE 22 HD11 ILE 22 -9.075 16.678 -34.413 160 HD12 ILE 22 HD12 ILE 22 -8.165 15.917 -35.803 161 HD13 ILE 22 HD13 ILE 22 -9.455 15.066 -34.986 162 H LEU 23 H LEU 23 -3.361 16.081 -33.769 163 HA LEU 23 HA LEU 23 -2.839 18.916 -33.220 164 HB2 LEU 23 HB2 LEU 23 -1.251 16.378 -32.582 165 HB3 LEU 23 HB3 LEU 23 -0.859 17.996 -31.999 166 HG LEU 23 HG LEU 23 -3.512 16.661 -31.375 167 HD11 LEU 23 HD11 LEU 23 -2.641 15.889 -29.291 168 HD12 LEU 23 HD12 LEU 23 -1.031 16.621 -29.639 169 HD13 LEU 23 HD13 LEU 23 -1.601 15.231 -30.620 170 HD21 LEU 23 HD21 LEU 23 -1.946 18.963 -30.141 171 HD22 LEU 23 HD22 LEU 23 -3.440 18.212 -29.446 172 HD23 LEU 23 HD23 LEU 23 -3.499 19.060 -31.066 173 H GLY 24 H GLY 24 -2.002 16.626 -35.670 174 HA2 GLY 24 HA2 GLY 24 -0.839 17.055 -37.626 175 HA3 GLY 24 HA3 GLY 24 -0.501 18.692 -37.045 176 H VAL 25 H VAL 25 0.335 15.710 -35.311 177 HA VAL 25 HA VAL 25 3.213 16.423 -35.740 178 HB VAL 25 HB VAL 25 3.680 15.452 -33.505 179 HG11 VAL 25 HG11 VAL 25 3.273 17.905 -33.786 180 HG12 VAL 25 HG12 VAL 25 1.557 17.651 -33.401 181 HG13 VAL 25 HG13 VAL 25 2.803 17.322 -32.175 182 HG21 VAL 25 HG21 VAL 25 1.860 14.954 -31.930 183 HG22 VAL 25 HG22 VAL 25 0.645 15.322 -33.174 184 HG23 VAL 25 HG23 VAL 25 1.714 13.914 -33.359 185 H GLU 26 H GLU 26 4.732 14.668 -35.810 186 HA GLU 26 HA GLU 26 3.827 12.562 -37.508 187 HB2 GLU 26 HB2 GLU 26 6.368 12.833 -35.861 188 HB3 GLU 26 HB3 GLU 26 6.103 11.670 -37.164 189 HG2 GLU 26 HG2 GLU 26 5.906 13.514 -38.741 190 HG3 GLU 26 HG3 GLU 26 6.192 14.590 -37.471 191 H ARG 27 H ARG 27 4.581 12.671 -34.120 192 HA ARG 27 HA ARG 27 3.485 9.896 -33.790 193 HB2 ARG 27 HB2 ARG 27 5.343 9.055 -32.596 194 HB3 ARG 27 HB3 ARG 27 5.969 9.683 -34.104 195 HG2 ARG 27 HG2 ARG 27 6.147 11.022 -31.369 196 HG3 ARG 27 HG3 ARG 27 7.384 10.028 -32.077 197 HD2 ARG 27 HD2 ARG 27 6.403 12.651 -33.232 198 HD3 ARG 27 HD3 ARG 27 7.874 12.442 -32.255 199 HE ARG 27 HE ARG 27 7.536 11.876 -35.092 200 HH11 ARG 27 HH11 ARG 27 9.472 10.986 -32.267 201 HH12 ARG 27 HH12 ARG 27 10.839 10.535 -33.251 202 HH21 ARG 27 HH21 ARG 27 9.303 11.360 -36.247 203 HH22 ARG 27 HH22 ARG 27 10.731 10.712 -35.462 204 H VAL 28 H VAL 28 3.043 9.264 -31.625 205 HA VAL 28 HA VAL 28 2.852 11.490 -29.684 206 HB VAL 28 HB VAL 28 0.517 9.638 -30.354 207 HG11 VAL 28 HG11 VAL 28 0.651 12.158 -28.659 208 HG12 VAL 28 HG12 VAL 28 -0.802 11.202 -29.016 209 HG13 VAL 28 HG13 VAL 28 0.493 10.491 -28.054 210 HG21 VAL 28 HG21 VAL 28 1.003 12.544 -31.202 211 HG22 VAL 28 HG22 VAL 28 0.842 11.113 -32.270 212 HG23 VAL 28 HG23 VAL 28 -0.565 11.689 -31.372 213 H GLY 29 H GLY 29 3.203 10.743 -27.554 214 HA2 GLY 29 HA2 GLY 29 3.850 7.856 -27.200 215 HA3 GLY 29 HA3 GLY 29 4.047 9.140 -25.991 216 H VAL 30 H VAL 30 2.928 6.691 -25.282 217 HA VAL 30 HA VAL 30 0.065 6.735 -25.420 218 HB VAL 30 HB VAL 30 0.320 5.194 -23.296 219 HG11 VAL 30 HG11 VAL 30 1.460 4.361 -25.981 220 HG12 VAL 30 HG12 VAL 30 0.833 3.278 -24.717 221 HG13 VAL 30 HG13 VAL 30 -0.267 4.410 -25.534 222 HG21 VAL 30 HG21 VAL 30 2.694 5.953 -22.836 223 HG22 VAL 30 HG22 VAL 30 2.471 4.193 -22.937 224 HG23 VAL 30 HG23 VAL 30 3.193 5.065 -24.303 225 H ASP 31 H ASP 31 2.274 8.459 -23.408 226 HA ASP 31 HA ASP 31 -0.061 9.290 -21.786 227 HB2 ASP 31 HB2 ASP 31 2.226 8.125 -20.856 228 HB3 ASP 31 HB3 ASP 31 2.534 9.796 -20.522 229 H ASP 32 H ASP 32 1.005 10.367 -24.382 230 HA ASP 32 HA ASP 32 2.446 12.779 -23.821 231 HB2 ASP 32 HB2 ASP 32 1.664 11.348 -26.116 232 HB3 ASP 32 HB3 ASP 32 0.825 12.886 -26.258 233 H ALA 33 H ALA 33 1.736 14.800 -23.333 234 HA ALA 33 HA ALA 33 -1.091 15.053 -22.575 235 HB1 ALA 33 HB1 ALA 33 1.223 17.015 -22.524 236 HB2 ALA 33 HB2 ALA 33 -0.394 17.301 -21.827 237 HB3 ALA 33 HB3 ALA 33 0.667 16.032 -21.170 238 H PHE 34 H PHE 34 -2.651 15.674 -23.908 239 HA PHE 34 HA PHE 34 -2.369 16.266 -26.611 240 HB2 PHE 34 HB2 PHE 34 -4.481 15.677 -25.381 241 HB3 PHE 34 HB3 PHE 34 -4.541 17.319 -24.742 242 HD1 PHE 34 HD1 PHE 34 -4.664 15.306 -27.890 243 HD2 PHE 34 HD2 PHE 34 -5.474 19.101 -26.037 244 HE1 PHE 34 HE1 PHE 34 -5.944 16.003 -29.902 245 HE2 PHE 34 HE2 PHE 34 -6.761 19.809 -28.051 246 HZ PHE 34 HZ PHE 34 -6.998 18.252 -29.983 247 H HIS 35 H HIS 35 -2.371 18.582 -23.904 248 HA HIS 35 HA HIS 35 -2.424 20.869 -25.682 249 HB2 HIS 35 HB2 HIS 35 -2.109 22.159 -23.583 250 HB3 HIS 35 HB3 HIS 35 -3.490 21.058 -23.562 251 HD1 HIS 35 HD1 HIS 35 -3.639 19.522 -21.570 252 HD2 HIS 35 HD2 HIS 35 0.205 21.010 -22.139 253 HE1 HIS 35 HE1 HIS 35 -2.261 18.752 -19.599 254 H ASP 36 H ASP 36 0.193 18.852 -24.619 255 HA ASP 36 HA ASP 36 2.182 20.964 -24.442 256 HB2 ASP 36 HB2 ASP 36 2.359 18.631 -23.464 257 HB3 ASP 36 HB3 ASP 36 2.638 18.036 -25.107 258 H LEU 37 H LEU 37 0.883 18.875 -26.951 259 HA LEU 37 HA LEU 37 2.715 19.836 -29.030 260 HB2 LEU 37 HB2 LEU 37 0.160 18.221 -29.156 261 HB3 LEU 37 HB3 LEU 37 1.195 18.552 -30.519 262 HG LEU 37 HG LEU 37 1.746 16.404 -30.093 263 HD11 LEU 37 HD11 LEU 37 3.716 17.754 -28.207 264 HD12 LEU 37 HD12 LEU 37 3.821 17.775 -29.986 265 HD13 LEU 37 HD13 LEU 37 3.947 16.239 -29.104 266 HD21 LEU 37 HD21 LEU 37 1.914 15.267 -27.973 267 HD22 LEU 37 HD22 LEU 37 0.368 16.134 -28.028 268 HD23 LEU 37 HD23 LEU 37 1.732 16.795 -27.084 269 H GLY 38 H GLY 38 0.827 21.717 -27.450 270 HA2 GLY 38 HA2 GLY 38 -0.063 23.768 -28.095 271 HA3 GLY 38 HA3 GLY 38 0.063 23.288 -29.794 272 H GLY 39 H GLY 39 -1.512 20.906 -27.944 273 HA2 GLY 39 HA2 GLY 39 -3.924 21.206 -29.377 274 HA3 GLY 39 HA3 GLY 39 -3.716 20.221 -27.930 275 H SER 40 H SER 40 -5.738 22.239 -29.094 276 HA SER 40 HA SER 40 -6.056 23.902 -26.627 277 HB2 SER 40 HB2 SER 40 -6.739 24.538 -29.526 278 HB3 SER 40 HB3 SER 40 -7.147 25.564 -28.133 279 HG SER 40 HG SER 40 -4.486 24.752 -28.762 280 H SER 41 H SER 41 -8.367 24.530 -26.244 281 HA SER 41 HA SER 41 -10.001 22.259 -25.994 282 HB2 SER 41 HB2 SER 41 -10.229 24.376 -24.701 283 HB3 SER 41 HB3 SER 41 -10.918 25.153 -26.142 284 HG SER 41 HG SER 41 -12.526 24.354 -24.716 285 H ALA 42 H ALA 42 -9.940 24.675 -28.651 286 HA ALA 42 HA ALA 42 -12.311 23.747 -29.980 287 HB1 ALA 42 HB1 ALA 42 -9.813 25.051 -31.121 288 HB2 ALA 42 HB2 ALA 42 -11.386 24.910 -31.936 289 HB3 ALA 42 HB3 ALA 42 -11.231 25.902 -30.466 290 H LEU 43 H LEU 43 -8.862 22.693 -30.146 291 HA LEU 43 HA LEU 43 -9.314 20.873 -32.355 292 HB2 LEU 43 HB2 LEU 43 -7.108 21.097 -30.291 293 HB3 LEU 43 HB3 LEU 43 -7.115 19.907 -31.578 294 HG LEU 43 HG LEU 43 -7.099 22.899 -32.030 295 HD11 LEU 43 HD11 LEU 43 -4.848 20.851 -32.181 296 HD12 LEU 43 HD12 LEU 43 -4.995 22.169 -31.010 297 HD13 LEU 43 HD13 LEU 43 -4.738 22.539 -32.719 298 HD21 LEU 43 HD21 LEU 43 -6.465 22.253 -34.361 299 HD22 LEU 43 HD22 LEU 43 -8.088 21.693 -33.932 300 HD23 LEU 43 HD23 LEU 43 -6.727 20.544 -33.948 301 H ALA 44 H ALA 44 -9.503 20.674 -28.834 302 HA ALA 44 HA ALA 44 -9.615 17.836 -28.604 303 HB1 ALA 44 HB1 ALA 44 -10.913 18.354 -26.495 304 HB2 ALA 44 HB2 ALA 44 -9.339 19.163 -26.635 305 HB3 ALA 44 HB3 ALA 44 -10.845 20.082 -26.968 306 H MET 45 H MET 45 -12.105 20.217 -29.479 307 HA MET 45 HA MET 45 -14.345 18.461 -29.337 308 HB2 MET 45 HB2 MET 45 -13.921 20.864 -31.149 309 HB3 MET 45 HB3 MET 45 -15.431 20.055 -30.823 310 HG2 MET 45 HG2 MET 45 -15.287 20.628 -28.438 311 HG3 MET 45 HG3 MET 45 -13.777 21.442 -28.718 312 HE1 MET 45 HE1 MET 45 -17.990 22.929 -29.898 313 HE2 MET 45 HE2 MET 45 -17.404 21.369 -30.517 314 HE3 MET 45 HE3 MET 45 -17.605 21.613 -28.764 315 H ARG 46 H ARG 46 -11.858 19.056 -31.775 316 HA ARG 46 HA ARG 46 -13.259 17.604 -33.907 317 HB2 ARG 46 HB2 ARG 46 -10.282 18.220 -33.693 318 HB3 ARG 46 HB3 ARG 46 -11.222 17.821 -35.146 319 HG2 ARG 46 HG2 ARG 46 -11.334 20.410 -33.494 320 HG3 ARG 46 HG3 ARG 46 -10.736 20.207 -35.121 321 HD2 ARG 46 HD2 ARG 46 -13.143 19.386 -35.741 322 HD3 ARG 46 HD3 ARG 46 -13.548 19.900 -34.161 323 HE ARG 46 HE ARG 46 -12.137 22.033 -35.444 324 HH11 ARG 46 HH11 ARG 46 -15.158 20.213 -35.938 325 HH12 ARG 46 HH12 ARG 46 -15.928 21.492 -36.838 326 HH21 ARG 46 HH21 ARG 46 -13.211 23.653 -36.652 327 HH22 ARG 46 HH22 ARG 46 -14.831 23.394 -37.237 328 H LEU 47 H LEU 47 -10.810 16.882 -31.444 329 HA LEU 47 HA LEU 47 -10.087 14.261 -32.321 330 HB2 LEU 47 HB2 LEU 47 -8.954 15.641 -30.591 331 HB3 LEU 47 HB3 LEU 47 -10.337 15.498 -29.595 332 HG LEU 47 HG LEU 47 -9.901 13.020 -29.478 333 HD11 LEU 47 HD11 LEU 47 -8.563 12.768 -31.522 334 HD12 LEU 47 HD12 LEU 47 -7.631 12.216 -30.069 335 HD13 LEU 47 HD13 LEU 47 -7.309 13.850 -30.828 336 HD21 LEU 47 HD21 LEU 47 -7.688 14.808 -28.552 337 HD22 LEU 47 HD22 LEU 47 -8.114 13.180 -27.877 338 HD23 LEU 47 HD23 LEU 47 -9.287 14.560 -27.722 339 H ILE 48 H ILE 48 -12.612 15.440 -30.131 340 HA ILE 48 HA ILE 48 -13.695 12.909 -29.459 341 HB ILE 48 HB ILE 48 -14.975 15.658 -29.603 342 HG12 ILE 48 HG12 ILE 48 -14.239 14.065 -27.135 343 HG13 ILE 48 HG13 ILE 48 -13.009 15.009 -27.964 344 HG21 ILE 48 HG21 ILE 48 -16.081 13.058 -28.457 345 HG22 ILE 48 HG22 ILE 48 -16.733 14.659 -28.069 346 HG23 ILE 48 HG23 ILE 48 -16.792 14.062 -29.725 347 HD11 ILE 48 HD11 ILE 48 -14.383 17.023 -27.649 348 HD12 ILE 48 HD12 ILE 48 -15.560 16.041 -26.735 349 HD13 ILE 48 HD13 ILE 48 -13.878 16.221 -26.131 350 H ALA 49 H ALA 49 -14.376 15.050 -32.249 351 HA ALA 49 HA ALA 49 -16.586 13.528 -33.204 352 HB1 ALA 49 HB1 ALA 49 -16.204 14.646 -35.349 353 HB2 ALA 49 HB2 ALA 49 -15.973 15.810 -34.023 354 HB3 ALA 49 HB3 ALA 49 -14.561 15.111 -34.853 355 H ARG 50 H ARG 50 -13.045 13.193 -33.850 356 HA ARG 50 HA ARG 50 -13.347 11.043 -35.685 357 HB2 ARG 50 HB2 ARG 50 -11.064 12.139 -33.999 358 HB3 ARG 50 HB3 ARG 50 -10.971 10.605 -34.791 359 HG2 ARG 50 HG2 ARG 50 -11.382 11.615 -36.971 360 HG3 ARG 50 HG3 ARG 50 -11.583 13.228 -36.223 361 HD2 ARG 50 HD2 ARG 50 -9.324 12.915 -35.233 362 HD3 ARG 50 HD3 ARG 50 -9.119 11.450 -36.124 363 HE ARG 50 HE ARG 50 -9.157 14.047 -37.372 364 HH11 ARG 50 HH11 ARG 50 -8.911 10.524 -37.782 365 HH12 ARG 50 HH12 ARG 50 -8.085 10.712 -39.312 366 HH21 ARG 50 HH21 ARG 50 -8.168 14.143 -39.357 367 HH22 ARG 50 HH22 ARG 50 -7.701 12.651 -40.147 368 H ILE 51 H ILE 51 -13.160 11.146 -32.127 369 HA ILE 51 HA ILE 51 -12.596 8.335 -31.773 370 HB ILE 51 HB ILE 51 -14.106 10.309 -29.924 371 HG12 ILE 51 HG12 ILE 51 -11.346 9.039 -29.723 372 HG13 ILE 51 HG13 ILE 51 -11.616 10.592 -30.480 373 HG21 ILE 51 HG21 ILE 51 -13.258 7.452 -29.496 374 HG22 ILE 51 HG22 ILE 51 -13.737 8.550 -28.176 375 HG23 ILE 51 HG23 ILE 51 -14.908 8.087 -29.444 376 HD11 ILE 51 HD11 ILE 51 -12.139 9.907 -27.546 377 HD12 ILE 51 HD12 ILE 51 -10.849 10.946 -28.196 378 HD13 ILE 51 HD13 ILE 51 -12.530 11.460 -28.297 379 H ARG 52 H ARG 52 -15.642 10.109 -32.539 380 HA ARG 52 HA ARG 52 -17.355 7.855 -32.100 381 HB2 ARG 52 HB2 ARG 52 -17.697 10.142 -34.036 382 HB3 ARG 52 HB3 ARG 52 -18.897 8.957 -33.538 383 HG2 ARG 52 HG2 ARG 52 -18.713 9.730 -31.222 384 HG3 ARG 52 HG3 ARG 52 -17.617 11.022 -31.756 385 HD2 ARG 52 HD2 ARG 52 -19.334 11.697 -33.386 386 HD3 ARG 52 HD3 ARG 52 -20.438 10.503 -32.696 387 HE ARG 52 HE ARG 52 -19.473 12.228 -30.616 388 HH11 ARG 52 HH11 ARG 52 -21.726 12.246 -33.338 389 HH12 ARG 52 HH12 ARG 52 -22.755 13.440 -32.594 390 HH21 ARG 52 HH21 ARG 52 -20.819 13.717 -29.727 391 HH22 ARG 52 HH22 ARG 52 -22.244 14.270 -30.581 392 H GLU 53 H GLU 53 -15.205 8.735 -34.753 393 HA GLU 53 HA GLU 53 -16.566 7.003 -36.671 394 HB2 GLU 53 HB2 GLU 53 -13.883 8.449 -36.787 395 HB3 GLU 53 HB3 GLU 53 -14.702 7.682 -38.153 396 HG2 GLU 53 HG2 GLU 53 -16.565 9.275 -37.954 397 HG3 GLU 53 HG3 GLU 53 -15.794 10.027 -36.550 398 H GLU 54 H GLU 54 -13.790 6.962 -34.502 399 HA GLU 54 HA GLU 54 -12.834 4.423 -35.626 400 HB2 GLU 54 HB2 GLU 54 -11.874 6.366 -33.556 401 HB3 GLU 54 HB3 GLU 54 -11.200 4.763 -33.583 402 HG2 GLU 54 HG2 GLU 54 -11.179 6.686 -35.928 403 HG3 GLU 54 HG3 GLU 54 -9.835 6.394 -34.813 404 H LEU 55 H LEU 55 -13.919 5.526 -32.381 405 HA LEU 55 HA LEU 55 -14.100 2.661 -31.552 406 HB2 LEU 55 HB2 LEU 55 -14.508 5.184 -29.919 407 HB3 LEU 55 HB3 LEU 55 -14.171 3.565 -29.310 408 HG LEU 55 HG LEU 55 -12.154 5.494 -30.557 409 HD11 LEU 55 HD11 LEU 55 -11.094 5.320 -28.412 410 HD12 LEU 55 HD12 LEU 55 -12.286 4.094 -27.896 411 HD13 LEU 55 HD13 LEU 55 -12.833 5.769 -28.242 412 HD21 LEU 55 HD21 LEU 55 -11.491 3.310 -31.378 413 HD22 LEU 55 HD22 LEU 55 -11.633 2.603 -29.759 414 HD23 LEU 55 HD23 LEU 55 -10.385 3.852 -30.104 415 H GLY 56 H GLY 56 -16.027 4.916 -32.868 416 HA2 GLY 56 HA2 GLY 56 -18.272 4.700 -33.270 417 HA3 GLY 56 HA3 GLY 56 -18.255 3.160 -32.406 418 H VAL 57 H VAL 57 -17.170 6.015 -30.700 419 HA VAL 57 HA VAL 57 -19.812 6.259 -29.380 420 HB VAL 57 HB VAL 57 -18.738 6.163 -27.104 421 HG11 VAL 57 HG11 VAL 57 -18.625 3.739 -26.931 422 HG12 VAL 57 HG12 VAL 57 -19.906 4.181 -28.082 423 HG13 VAL 57 HG13 VAL 57 -18.343 3.584 -28.680 424 HG21 VAL 57 HG21 VAL 57 -16.517 5.168 -26.811 425 HG22 VAL 57 HG22 VAL 57 -16.317 5.016 -28.567 426 HG23 VAL 57 HG23 VAL 57 -16.383 6.626 -27.812 427 H ASP 58 H ASP 58 -20.096 8.150 -28.161 428 HA ASP 58 HA ASP 58 -18.510 10.422 -29.144 429 HB2 ASP 58 HB2 ASP 58 -21.029 10.440 -28.909 430 HB3 ASP 58 HB3 ASP 58 -20.808 10.389 -27.154 431 H LEU 59 H LEU 59 -16.574 10.787 -28.123 432 HA LEU 59 HA LEU 59 -16.109 9.824 -25.477 433 HB2 LEU 59 HB2 LEU 59 -14.272 10.269 -27.037 434 HB3 LEU 59 HB3 LEU 59 -14.607 11.993 -26.961 435 HG LEU 59 HG LEU 59 -14.301 11.592 -24.362 436 HD11 LEU 59 HD11 LEU 59 -14.097 9.165 -24.534 437 HD12 LEU 59 HD12 LEU 59 -12.693 9.922 -23.755 438 HD13 LEU 59 HD13 LEU 59 -12.584 9.377 -25.444 439 HD21 LEU 59 HD21 LEU 59 -12.078 12.283 -24.322 440 HD22 LEU 59 HD22 LEU 59 -12.854 13.064 -25.713 441 HD23 LEU 59 HD23 LEU 59 -11.775 11.671 -25.955 442 HA PRO 60 HA PRO 60 -18.108 13.255 -23.380 443 HB2 PRO 60 HB2 PRO 60 -16.700 12.150 -20.993 444 HB3 PRO 60 HB3 PRO 60 -18.442 12.454 -21.212 445 HG2 PRO 60 HG2 PRO 60 -17.453 9.957 -21.152 446 HG3 PRO 60 HG3 PRO 60 -18.764 10.410 -22.286 447 HD2 PRO 60 HD2 PRO 60 -15.792 10.138 -22.856 448 HD3 PRO 60 HD3 PRO 60 -17.218 9.525 -23.768 449 H ILE 61 H ILE 61 -17.088 15.257 -23.555 450 HA ILE 61 HA ILE 61 -14.284 15.520 -23.626 451 HB ILE 61 HB ILE 61 -15.963 17.114 -24.596 452 HG12 ILE 61 HG12 ILE 61 -13.845 18.459 -22.979 453 HG13 ILE 61 HG13 ILE 61 -13.462 17.462 -24.317 454 HG21 ILE 61 HG21 ILE 61 -16.794 18.969 -23.218 455 HG22 ILE 61 HG22 ILE 61 -17.305 17.445 -22.471 456 HG23 ILE 61 HG23 ILE 61 -15.932 18.359 -21.789 457 HD11 ILE 61 HD11 ILE 61 -13.411 19.725 -25.092 458 HD12 ILE 61 HD12 ILE 61 -14.825 18.939 -25.807 459 HD13 ILE 61 HD13 ILE 61 -15.036 20.055 -24.439 460 H ARG 62 H ARG 62 -16.398 15.414 -20.883 461 HA ARG 62 HA ARG 62 -14.631 16.656 -19.001 462 HB2 ARG 62 HB2 ARG 62 -17.010 16.206 -18.493 463 HB3 ARG 62 HB3 ARG 62 -16.698 14.477 -18.585 464 HG2 ARG 62 HG2 ARG 62 -16.873 15.223 -16.246 465 HG3 ARG 62 HG3 ARG 62 -15.282 14.543 -16.603 466 HD2 ARG 62 HD2 ARG 62 -14.961 16.519 -15.249 467 HD3 ARG 62 HD3 ARG 62 -14.392 16.880 -16.876 468 HE ARG 62 HE ARG 62 -16.207 18.343 -17.213 469 HH11 ARG 62 HH11 ARG 62 -16.408 16.861 -14.015 470 HH12 ARG 62 HH12 ARG 62 -17.568 18.029 -13.443 471 HH21 ARG 62 HH21 ARG 62 -17.693 19.792 -16.417 472 HH22 ARG 62 HH22 ARG 62 -18.278 19.657 -14.783 473 H GLN 63 H GLN 63 -14.721 13.313 -20.351 474 HA GLN 63 HA GLN 63 -12.894 12.270 -18.429 475 HB2 GLN 63 HB2 GLN 63 -14.046 11.390 -20.924 476 HB3 GLN 63 HB3 GLN 63 -12.565 10.835 -20.769 477 HG2 GLN 63 HG2 GLN 63 -14.268 9.268 -19.989 478 HG3 GLN 63 HG3 GLN 63 -13.016 9.589 -18.815 479 HE21 GLN 63 HE21 GLN 63 -16.376 10.494 -19.813 480 HE22 GLN 63 HE22 GLN 63 -16.796 11.013 -18.224 481 H LEU 64 H LEU 64 -12.600 13.941 -21.539 482 HA LEU 64 HA LEU 64 -9.775 13.534 -21.832 483 HB2 LEU 64 HB2 LEU 64 -11.476 14.309 -23.601 484 HB3 LEU 64 HB3 LEU 64 -11.382 15.904 -22.869 485 HG LEU 64 HG LEU 64 -8.802 15.759 -23.298 486 HD11 LEU 64 HD11 LEU 64 -8.672 13.364 -23.697 487 HD12 LEU 64 HD12 LEU 64 -8.138 14.328 -25.154 488 HD13 LEU 64 HD13 LEU 64 -9.866 13.550 -25.134 489 HD21 LEU 64 HD21 LEU 64 -9.155 16.521 -25.607 490 HD22 LEU 64 HD22 LEU 64 -10.357 17.233 -24.442 491 HD23 LEU 64 HD23 LEU 64 -10.843 15.837 -25.532 492 H PHE 65 H PHE 65 -11.743 16.168 -20.387 493 HA PHE 65 HA PHE 65 -9.453 17.768 -19.700 494 HB2 PHE 65 HB2 PHE 65 -12.281 17.718 -18.591 495 HB3 PHE 65 HB3 PHE 65 -11.058 18.920 -18.164 496 HD1 PHE 65 HD2 PHE 65 -10.031 18.730 -21.365 497 HD2 PHE 65 HD1 PHE 65 -13.654 19.742 -19.240 498 HE1 PHE 65 HE2 PHE 65 -10.737 20.172 -23.256 499 HE2 PHE 65 HE1 PHE 65 -14.329 21.230 -21.128 500 HZ PHE 65 HZ PHE 65 -12.869 21.454 -23.122 501 H SER 66 H SER 66 -10.922 14.998 -18.161 502 HA SER 66 HA SER 66 -9.648 15.530 -15.570 503 HB2 SER 66 HB2 SER 66 -10.928 12.990 -16.656 504 HB3 SER 66 HB3 SER 66 -10.511 13.325 -14.962 505 HG SER 66 HG SER 66 -12.437 14.646 -16.589 506 H SER 67 H SER 67 -8.850 13.980 -18.594 507 HA SER 67 HA SER 67 -6.173 13.301 -17.567 508 HB2 SER 67 HB2 SER 67 -8.047 11.228 -18.765 509 HB3 SER 67 HB3 SER 67 -6.323 10.991 -18.410 510 HG SER 67 HG SER 67 -7.501 11.980 -16.233 511 HA PRO 68 HA PRO 68 -6.380 14.868 -21.824 512 HB2 PRO 68 HB2 PRO 68 -4.273 16.553 -21.842 513 HB3 PRO 68 HB3 PRO 68 -5.773 16.942 -20.939 514 HG2 PRO 68 HG2 PRO 68 -3.248 15.672 -19.933 515 HG3 PRO 68 HG3 PRO 68 -4.102 17.127 -19.315 516 HD2 PRO 68 HD2 PRO 68 -4.482 14.672 -18.220 517 HD3 PRO 68 HD3 PRO 68 -5.829 15.858 -18.374 518 H THR 69 H THR 69 -4.673 12.381 -20.842 519 HA THR 69 HA THR 69 -2.778 12.461 -23.152 520 HB THR 69 HB THR 69 -1.449 10.782 -22.059 521 HG1 THR 69 HG1 THR 69 -2.034 9.965 -20.024 522 HG21 THR 69 HG21 THR 69 -2.233 12.803 -19.976 523 HG22 THR 69 HG22 THR 69 -1.108 13.103 -21.341 524 HG23 THR 69 HG23 THR 69 -0.698 11.892 -20.101 525 HA PRO 70 HA PRO 70 -5.326 9.539 -24.920 526 HB2 PRO 70 HB2 PRO 70 -3.748 7.786 -26.296 527 HB3 PRO 70 HB3 PRO 70 -3.955 9.489 -26.788 528 HG2 PRO 70 HG2 PRO 70 -1.745 8.270 -25.280 529 HG3 PRO 70 HG3 PRO 70 -1.704 9.379 -26.676 530 HD2 PRO 70 HD2 PRO 70 -1.368 10.270 -24.146 531 HD3 PRO 70 HD3 PRO 70 -2.245 11.227 -25.384 532 H ALA 71 H ALA 71 -2.634 7.937 -23.047 533 HA ALA 71 HA ALA 71 -4.370 5.619 -22.648 534 HB1 ALA 71 HB1 ALA 71 -1.884 5.368 -22.573 535 HB2 ALA 71 HB2 ALA 71 -1.829 6.493 -21.187 536 HB3 ALA 71 HB3 ALA 71 -2.605 4.901 -21.020 537 H GLY 72 H GLY 72 -3.766 8.694 -20.993 538 HA2 GLY 72 HA2 GLY 72 -4.904 7.924 -18.454 539 HA3 GLY 72 HA3 GLY 72 -4.763 9.564 -19.128 540 H VAL 73 H VAL 73 -6.246 9.517 -21.396 541 HA VAL 73 HA VAL 73 -8.871 9.641 -20.279 542 HB VAL 73 HB VAL 73 -7.913 11.036 -22.217 543 HG11 VAL 73 HG11 VAL 73 -7.176 9.160 -23.590 544 HG12 VAL 73 HG12 VAL 73 -8.912 8.697 -23.909 545 HG13 VAL 73 HG13 VAL 73 -8.266 10.278 -24.470 546 HG21 VAL 73 HG21 VAL 73 -10.114 11.209 -21.421 547 HG22 VAL 73 HG22 VAL 73 -10.059 11.372 -23.227 548 HG23 VAL 73 HG23 VAL 73 -10.639 9.817 -22.441 549 H ALA 74 H ALA 74 -7.345 7.127 -22.268 550 HA ALA 74 HA ALA 74 -9.468 5.484 -22.681 551 HB1 ALA 74 HB1 ALA 74 -7.839 3.651 -22.845 552 HB2 ALA 74 HB2 ALA 74 -7.231 5.113 -23.654 553 HB3 ALA 74 HB3 ALA 74 -6.616 4.658 -22.048 554 H ARG 75 H ARG 75 -7.280 5.647 -19.767 555 HA ARG 75 HA ARG 75 -8.572 3.505 -18.387 556 HB2 ARG 75 HB2 ARG 75 -6.874 5.831 -17.429 557 HB3 ARG 75 HB3 ARG 75 -7.440 4.546 -16.412 558 HG2 ARG 75 HG2 ARG 75 -6.217 2.877 -17.571 559 HG3 ARG 75 HG3 ARG 75 -5.823 4.038 -18.844 560 HD2 ARG 75 HD2 ARG 75 -4.979 4.641 -16.022 561 HD3 ARG 75 HD3 ARG 75 -4.046 3.473 -16.965 562 HE ARG 75 HE ARG 75 -4.399 5.738 -18.596 563 HH11 ARG 75 HH11 ARG 75 -2.573 4.856 -15.682 564 HH12 ARG 75 HH12 ARG 75 -1.305 6.003 -16.029 565 HH21 ARG 75 HH21 ARG 75 -2.736 7.187 -18.930 566 HH22 ARG 75 HH22 ARG 75 -1.391 7.296 -17.830 567 H ALA 76 H ALA 76 -9.064 6.983 -18.579 568 HA ALA 76 HA ALA 76 -10.881 7.077 -16.321 569 HB1 ALA 76 HB1 ALA 76 -9.600 9.047 -17.145 570 HB2 ALA 76 HB2 ALA 76 -10.556 9.046 -18.639 571 HB3 ALA 76 HB3 ALA 76 -11.348 9.369 -17.074 572 H LEU 77 H LEU 77 -11.399 6.875 -19.858 573 HA LEU 77 HA LEU 77 -14.271 6.897 -19.474 574 HB2 LEU 77 HB2 LEU 77 -14.376 6.407 -21.891 575 HB3 LEU 77 HB3 LEU 77 -13.312 7.767 -21.531 576 HG LEU 77 HG LEU 77 -11.465 5.797 -21.610 577 HD11 LEU 77 HD11 LEU 77 -11.694 4.207 -23.267 578 HD12 LEU 77 HD12 LEU 77 -13.261 4.636 -23.712 579 HD13 LEU 77 HD13 LEU 77 -12.920 3.921 -22.099 580 HD21 LEU 77 HD21 LEU 77 -12.740 6.992 -24.072 581 HD22 LEU 77 HD22 LEU 77 -11.073 6.353 -23.980 582 HD23 LEU 77 HD23 LEU 77 -11.533 7.802 -23.047 583 H ALA 78 H ALA 78 -11.774 4.351 -19.703 584 HA ALA 78 HA ALA 78 -13.642 2.238 -20.024 585 HB1 ALA 78 HB1 ALA 78 -11.847 0.772 -19.099 586 HB2 ALA 78 HB2 ALA 78 -11.230 1.886 -20.343 587 HB3 ALA 78 HB3 ALA 78 -10.925 2.222 -18.624 588 H ALA 79 H ALA 79 -12.276 3.810 -17.107 589 HA ALA 79 HA ALA 79 -13.616 2.154 -15.205 590 HB1 ALA 79 HB1 ALA 79 -13.158 4.007 -13.618 591 HB2 ALA 79 HB2 ALA 79 -11.732 3.650 -14.621 592 HB3 ALA 79 HB3 ALA 79 -12.737 5.074 -14.980 593 H LYS 80 H LYS 80 -14.589 5.173 -16.863 594 HA LYS 80 HA LYS 80 -17.002 5.528 -15.377 595 HB2 LYS 80 HB2 LYS 80 -15.926 7.264 -16.806 596 HB3 LYS 80 HB3 LYS 80 -16.379 6.344 -18.243 597 HG2 LYS 80 HG2 LYS 80 -17.913 8.216 -17.902 598 HG3 LYS 80 HG3 LYS 80 -18.771 6.678 -17.732 599 HD2 LYS 80 HD2 LYS 80 -18.630 6.874 -15.260 600 HD3 LYS 80 HD3 LYS 80 -17.771 8.418 -15.438 601 HE2 LYS 80 HE2 LYS 80 -19.725 9.396 -16.548 602 HE3 LYS 80 HE3 LYS 80 -20.569 7.830 -16.479 603 HZ1 LYS 80 HZ1 LYS 80 -20.478 7.943 -14.070 604 HZ2 LYS 80 HZ2 LYS 80 -21.237 9.286 -14.659 605 HZ3 LYS 80 HZ3 LYS 80 -19.681 9.387 -14.114 606 H SER 81 H SER 81 -16.307 3.662 -18.353 607 HA SER 81 HA SER 81 -19.104 3.019 -18.805 608 HB2 SER 81 HB2 SER 81 -17.329 2.990 -20.565 609 HB3 SER 81 HB3 SER 81 -16.580 1.599 -19.754 610 HG SER 81 HG SER 81 -17.958 0.927 -21.432 611 H ALA 82 H ALA 82 -16.402 1.471 -17.064 612 HA ALA 82 HA ALA 82 -17.773 -1.001 -16.547 613 HB1 ALA 82 HB1 ALA 82 -16.003 -1.345 -14.864 614 HB2 ALA 82 HB2 ALA 82 -15.315 -0.729 -16.386 615 HB3 ALA 82 HB3 ALA 82 -15.526 0.365 -14.996 616 H SER 83 H SER 83 -18.042 2.171 -15.190 617 HA SER 83 HA SER 83 -19.157 1.290 -12.639 618 HB2 SER 83 HB2 SER 83 -19.158 4.017 -13.983 619 HB3 SER 83 HB3 SER 83 -19.607 3.685 -12.300 620 HG SER 83 HG SER 83 -17.054 3.196 -13.483 621 H TRP 84 H TRP 84 -20.385 1.478 -15.808 622 HA TRP 84 HA TRP 84 -22.485 1.568 -16.727 623 HB2 TRP 84 HB2 TRP 84 -23.119 0.178 -14.104 624 HB3 TRP 84 HB3 TRP 84 -24.228 0.268 -15.479 625 HD1 TRP 84 HD1 TRP 84 -20.935 -1.396 -14.421 626 HE1 TRP 84 HE1 TRP 84 -20.385 -3.327 -15.970 627 HE3 TRP 84 HE3 TRP 84 -24.634 -0.605 -17.862 628 HZ2 TRP 84 HZ2 TRP 84 -21.418 -4.422 -18.399 629 HZ3 TRP 84 HZ3 TRP 84 -24.808 -2.164 -19.817 630 HH2 TRP 84 HH2 TRP 84 -23.205 -4.059 -20.069 631 H SER 85 H SER 85 -21.749 3.978 -15.284 632 HA SER 85 HA SER 85 -23.816 4.863 -13.557 633 HB2 SER 85 HB2 SER 85 -22.071 6.557 -15.363 634 HB3 SER 85 HB3 SER 85 -22.884 7.074 -13.871 635 HG SER 85 HG SER 85 -21.537 5.098 -13.046 636 H HIS 86 H HIS 86 -25.812 5.545 -13.876 637 HA HIS 86 HA HIS 86 -27.039 5.688 -16.431 638 HB2 HIS 86 HB2 HIS 86 -27.977 7.173 -13.961 639 HB3 HIS 86 HB3 HIS 86 -28.959 6.462 -15.247 640 HD1 HIS 86 HD1 HIS 86 -28.430 3.591 -15.315 641 HD2 HIS 86 HD2 HIS 86 -28.066 5.697 -11.748 642 HE1 HIS 86 HE1 HIS 86 -28.551 1.890 -13.449 643 HA PRO 87 HA PRO 87 -25.778 9.757 -17.560 644 HB2 PRO 87 HB2 PRO 87 -27.748 10.644 -19.214 645 HB3 PRO 87 HB3 PRO 87 -26.664 9.295 -19.686 646 HG2 PRO 87 HG2 PRO 87 -29.426 9.168 -18.486 647 HG3 PRO 87 HG3 PRO 87 -28.796 8.343 -19.949 648 HD2 PRO 87 HD2 PRO 87 -28.920 7.102 -17.540 649 HD3 PRO 87 HD3 PRO 87 -27.566 6.798 -18.686 650 H GLN 88 H GLN 88 -26.165 11.996 -17.060 651 HA GLN 88 HA GLN 88 -27.959 12.392 -14.800 652 HB2 GLN 88 HB2 GLN 88 -27.006 14.593 -14.662 653 HB3 GLN 88 HB3 GLN 88 -25.703 13.447 -14.985 654 HG2 GLN 88 HG2 GLN 88 -25.782 14.110 -17.405 655 HG3 GLN 88 HG3 GLN 88 -26.996 15.331 -16.990 656 HE21 GLN 88 HE21 GLN 88 -26.364 17.253 -16.166 657 HE22 GLN 88 HE22 GLN 88 -24.699 17.668 -15.839 658 H PHE 89 H PHE 89 -28.168 12.748 -18.219 659 HA PHE 89 HA PHE 89 -30.622 14.417 -17.968 660 HB2 PHE 89 HB2 PHE 89 -28.754 15.481 -19.205 661 HB3 PHE 89 HB3 PHE 89 -28.712 14.106 -20.316 662 HD1 PHE 89 HD2 PHE 89 -31.150 16.645 -18.960 663 HD2 PHE 89 HD1 PHE 89 -29.881 14.285 -22.328 664 HE1 PHE 89 HE2 PHE 89 -32.852 17.774 -20.386 665 HE2 PHE 89 HE1 PHE 89 -31.573 15.416 -23.765 666 HZ PHE 89 HZ PHE 89 -33.062 17.164 -22.795 667 H GLU 90 H GLU 90 -32.514 13.530 -18.690 668 HA GLU 90 HA GLU 90 -32.381 10.841 -19.951 669 HB2 GLU 90 HB2 GLU 90 -33.874 11.267 -17.959 670 HB3 GLU 90 HB3 GLU 90 -34.812 12.377 -18.966 671 HG2 GLU 90 HG2 GLU 90 -35.471 10.580 -20.439 672 HG3 GLU 90 HG3 GLU 90 -34.322 9.466 -19.680 673 H LYS 91 H LYS 91 -33.495 10.530 -21.976 674 HA LYS 91 HA LYS 91 -34.032 12.956 -23.569 675 HB2 LYS 91 HB2 LYS 91 -32.309 12.664 -25.063 676 HB3 LYS 91 HB3 LYS 91 -31.510 12.142 -23.587 677 HG2 LYS 91 HG2 LYS 91 -32.624 10.366 -25.803 678 HG3 LYS 91 HG3 LYS 91 -30.931 10.664 -25.457 679 HD2 LYS 91 HD2 LYS 91 -30.845 9.129 -23.755 680 HD3 LYS 91 HD3 LYS 91 -32.501 9.451 -23.220 681 HE2 LYS 91 HE2 LYS 91 -31.822 7.971 -25.788 682 HE3 LYS 91 HE3 LYS 91 -32.194 7.172 -24.242 683 HZ1 LYS 91 HZ1 LYS 91 -34.016 8.953 -25.780 684 HZ2 LYS 91 HZ2 LYS 91 -34.354 8.396 -24.275 685 HZ3 LYS 91 HZ3 LYS 91 -34.207 7.328 -25.534 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.685 10.667 -21.450 2 HA2 GLY 1 HA2 GLY 1 9.999 12.513 -20.188 3 HA3 GLY 1 HA3 GLY 1 8.534 11.575 -19.829 4 H ALA 2 H ALA 2 8.945 12.949 -17.720 5 HA ALA 2 HA ALA 2 10.998 11.870 -15.963 6 HB1 ALA 2 HB1 ALA 2 9.828 13.190 -14.228 7 HB2 ALA 2 HB2 ALA 2 10.099 14.172 -15.685 8 HB3 ALA 2 HB3 ALA 2 8.482 13.499 -15.349 9 H MET 3 H MET 3 7.649 11.168 -16.779 10 HA MET 3 HA MET 3 7.235 9.337 -14.546 11 HB2 MET 3 HB2 MET 3 5.654 9.723 -17.123 12 HB3 MET 3 HB3 MET 3 5.119 8.823 -15.698 13 HG2 MET 3 HG2 MET 3 5.605 11.817 -15.892 14 HG3 MET 3 HG3 MET 3 4.044 10.994 -15.748 15 HE1 MET 3 HE1 MET 3 4.007 9.755 -12.041 16 HE2 MET 3 HE2 MET 3 3.074 9.975 -13.541 17 HE3 MET 3 HE3 MET 3 4.407 8.800 -13.481 18 H ALA 4 H ALA 4 7.092 7.100 -14.694 19 HA ALA 4 HA ALA 4 8.812 5.781 -16.621 20 HB1 ALA 4 HB1 ALA 4 8.496 4.912 -14.299 21 HB2 ALA 4 HB2 ALA 4 6.770 4.631 -14.651 22 HB3 ALA 4 HB3 ALA 4 8.017 3.706 -15.524 23 H LYS 5 H LYS 5 8.107 4.396 -18.347 24 HA LYS 5 HA LYS 5 5.800 5.359 -19.746 25 HB2 LYS 5 HB2 LYS 5 7.852 4.308 -20.796 26 HB3 LYS 5 HB3 LYS 5 7.270 2.750 -20.205 27 HG2 LYS 5 HG2 LYS 5 5.091 3.267 -21.504 28 HG3 LYS 5 HG3 LYS 5 5.997 4.578 -22.265 29 HD2 LYS 5 HD2 LYS 5 6.140 2.740 -23.768 30 HD3 LYS 5 HD3 LYS 5 7.722 2.834 -22.971 31 HE2 LYS 5 HE2 LYS 5 6.992 0.494 -23.095 32 HE3 LYS 5 HE3 LYS 5 7.030 1.018 -21.401 33 HZ1 LYS 5 HZ1 LYS 5 5.016 -0.224 -21.880 34 HZ2 LYS 5 HZ2 LYS 5 4.585 0.821 -23.082 35 HZ3 LYS 5 HZ3 LYS 5 4.612 1.332 -21.511 36 H ALA 6 H ALA 6 3.755 4.969 -19.250 37 HA ALA 6 HA ALA 6 2.853 2.987 -17.449 38 HB1 ALA 6 HB1 ALA 6 1.302 4.503 -19.607 39 HB2 ALA 6 HB2 ALA 6 0.584 3.694 -18.207 40 HB3 ALA 6 HB3 ALA 6 1.639 5.108 -17.973 41 HA PRO 7 HA PRO 7 2.300 -0.513 -20.178 42 HB2 PRO 7 HB2 PRO 7 0.165 -1.807 -19.097 43 HB3 PRO 7 HB3 PRO 7 1.740 -1.739 -18.250 44 HG2 PRO 7 HG2 PRO 7 -0.688 -0.014 -17.857 45 HG3 PRO 7 HG3 PRO 7 0.276 -0.901 -16.636 46 HD2 PRO 7 HD2 PRO 7 0.657 1.733 -17.148 47 HD3 PRO 7 HD3 PRO 7 2.024 0.653 -16.716 48 H GLU 8 H GLU 8 0.804 -1.274 -21.879 49 HA GLU 8 HA GLU 8 -0.759 0.915 -22.972 50 HB2 GLU 8 HB2 GLU 8 0.589 -0.607 -24.388 51 HB3 GLU 8 HB3 GLU 8 -0.384 -1.975 -23.849 52 HG2 GLU 8 HG2 GLU 8 -2.391 -0.852 -24.887 53 HG3 GLU 8 HG3 GLU 8 -1.303 0.365 -25.566 54 H SER 9 H SER 9 -2.852 1.346 -22.582 55 HA SER 9 HA SER 9 -4.636 -0.898 -21.731 56 HB2 SER 9 HB2 SER 9 -5.235 2.067 -22.068 57 HB3 SER 9 HB3 SER 9 -6.299 0.845 -21.338 58 HG SER 9 HG SER 9 -3.782 1.782 -20.402 59 H ALA 10 H ALA 10 -6.481 -1.452 -23.019 60 HA ALA 10 HA ALA 10 -5.978 -1.588 -25.782 61 HB1 ALA 10 HB1 ALA 10 -8.640 -1.846 -24.330 62 HB2 ALA 10 HB2 ALA 10 -8.298 -2.418 -25.971 63 HB3 ALA 10 HB3 ALA 10 -7.459 -3.153 -24.583 64 H THR 11 H THR 11 -7.916 0.802 -23.996 65 HA THR 11 HA THR 11 -9.018 2.020 -26.370 66 HB THR 11 HB THR 11 -8.626 3.403 -23.687 67 HG1 THR 11 HG1 THR 11 -10.789 1.684 -24.304 68 HG21 THR 11 HG21 THR 11 -10.833 4.381 -24.223 69 HG22 THR 11 HG22 THR 11 -10.897 3.432 -25.731 70 HG23 THR 11 HG23 THR 11 -9.676 4.703 -25.530 71 H GLU 12 H GLU 12 -6.117 2.563 -24.372 72 HA GLU 12 HA GLU 12 -5.495 5.173 -25.215 73 HB2 GLU 12 HB2 GLU 12 -3.827 2.909 -24.132 74 HB3 GLU 12 HB3 GLU 12 -3.124 4.437 -24.610 75 HG2 GLU 12 HG2 GLU 12 -4.435 5.670 -23.021 76 HG3 GLU 12 HG3 GLU 12 -5.352 4.224 -22.598 77 H LYS 13 H LYS 13 -4.463 2.008 -26.547 78 HA LYS 13 HA LYS 13 -2.544 3.205 -28.307 79 HB2 LYS 13 HB2 LYS 13 -2.621 1.135 -29.601 80 HB3 LYS 13 HB3 LYS 13 -2.411 0.879 -27.877 81 HG2 LYS 13 HG2 LYS 13 -4.691 0.180 -27.584 82 HG3 LYS 13 HG3 LYS 13 -5.062 0.485 -29.280 83 HD2 LYS 13 HD2 LYS 13 -3.420 -1.156 -29.982 84 HD3 LYS 13 HD3 LYS 13 -2.916 -1.360 -28.300 85 HE2 LYS 13 HE2 LYS 13 -5.254 -2.110 -27.755 86 HE3 LYS 13 HE3 LYS 13 -5.559 -2.165 -29.510 87 HZ1 LYS 13 HZ1 LYS 13 -4.760 -4.308 -28.604 88 HZ2 LYS 13 HZ2 LYS 13 -3.363 -3.583 -28.079 89 HZ3 LYS 13 HZ3 LYS 13 -3.682 -3.693 -29.700 90 H VAL 14 H VAL 14 -6.033 2.736 -28.699 91 HA VAL 14 HA VAL 14 -6.007 3.254 -31.542 92 HB VAL 14 HB VAL 14 -8.298 3.621 -29.526 93 HG11 VAL 14 HG11 VAL 14 -8.335 3.260 -32.564 94 HG12 VAL 14 HG12 VAL 14 -9.758 3.319 -31.514 95 HG13 VAL 14 HG13 VAL 14 -8.730 4.752 -31.682 96 HG21 VAL 14 HG21 VAL 14 -7.497 1.183 -31.162 97 HG22 VAL 14 HG22 VAL 14 -7.513 1.329 -29.389 98 HG23 VAL 14 HG23 VAL 14 -9.031 1.365 -30.295 99 H LEU 15 H LEU 15 -6.742 5.272 -28.644 100 HA LEU 15 HA LEU 15 -7.142 7.609 -30.264 101 HB2 LEU 15 HB2 LEU 15 -7.089 8.831 -28.091 102 HB3 LEU 15 HB3 LEU 15 -8.251 7.523 -28.216 103 HG LEU 15 HG LEU 15 -6.304 6.161 -27.015 104 HD11 LEU 15 HD11 LEU 15 -5.988 8.986 -26.002 105 HD12 LEU 15 HD12 LEU 15 -4.755 8.022 -26.854 106 HD13 LEU 15 HD13 LEU 15 -5.289 7.517 -25.240 107 HD21 LEU 15 HD21 LEU 15 -7.454 6.486 -24.959 108 HD22 LEU 15 HD22 LEU 15 -8.618 6.426 -26.294 109 HD23 LEU 15 HD23 LEU 15 -8.189 8.000 -25.574 110 H CYS 16 H CYS 16 -4.284 6.215 -28.702 111 HA CYS 16 HA CYS 16 -2.573 8.499 -29.061 112 HB2 CYS 16 HB2 CYS 16 -2.072 5.518 -28.964 113 HB3 CYS 16 HB3 CYS 16 -0.775 6.662 -29.257 114 HG CYS 16 HG CYS 16 -0.615 5.856 -26.846 115 H ALA 17 H ALA 17 -3.330 5.729 -31.283 116 HA ALA 17 HA ALA 17 -1.578 6.726 -33.332 117 HB1 ALA 17 HB1 ALA 17 -4.095 5.003 -33.576 118 HB2 ALA 17 HB2 ALA 17 -2.844 5.197 -34.822 119 HB3 ALA 17 HB3 ALA 17 -2.452 4.388 -33.284 120 H LEU 18 H LEU 18 -4.972 7.309 -32.523 121 HA LEU 18 HA LEU 18 -5.642 8.895 -34.781 122 HB2 LEU 18 HB2 LEU 18 -6.707 8.369 -32.100 123 HB3 LEU 18 HB3 LEU 18 -7.091 9.955 -32.737 124 HG LEU 18 HG LEU 18 -8.268 9.059 -34.593 125 HD11 LEU 18 HD11 LEU 18 -7.417 6.254 -33.800 126 HD12 LEU 18 HD12 LEU 18 -6.883 7.142 -35.259 127 HD13 LEU 18 HD13 LEU 18 -8.567 6.707 -35.056 128 HD21 LEU 18 HD21 LEU 18 -9.423 9.035 -32.464 129 HD22 LEU 18 HD22 LEU 18 -8.889 7.358 -32.197 130 HD23 LEU 18 HD23 LEU 18 -9.992 7.747 -33.537 131 H TYR 19 H TYR 19 -4.077 9.795 -31.667 132 HA TYR 19 HA TYR 19 -4.156 12.653 -32.092 133 HB2 TYR 19 HB2 TYR 19 -2.390 10.746 -30.625 134 HB3 TYR 19 HB3 TYR 19 -1.691 12.215 -30.963 135 HD1 TYR 19 HD1 TYR 19 -5.084 11.154 -29.678 136 HD2 TYR 19 HD2 TYR 19 -1.526 13.478 -28.963 137 HE1 TYR 19 HE1 TYR 19 -6.041 11.985 -27.535 138 HE2 TYR 19 HE2 TYR 19 -2.488 14.267 -26.812 139 HH TYR 19 HH TYR 19 -5.707 13.267 -25.649 140 H ALA 20 H ALA 20 -1.847 10.070 -33.193 141 HA ALA 20 HA ALA 20 -0.034 11.875 -34.333 142 HB1 ALA 20 HB1 ALA 20 -0.728 9.104 -35.432 143 HB2 ALA 20 HB2 ALA 20 0.831 9.939 -35.547 144 HB3 ALA 20 HB3 ALA 20 0.274 9.318 -33.976 145 H GLU 21 H GLU 21 -2.925 10.384 -35.794 146 HA GLU 21 HA GLU 21 -2.480 11.404 -38.445 147 HB2 GLU 21 HB2 GLU 21 -5.079 10.770 -36.986 148 HB3 GLU 21 HB3 GLU 21 -4.933 11.054 -38.719 149 HG2 GLU 21 HG2 GLU 21 -3.429 9.141 -38.893 150 HG3 GLU 21 HG3 GLU 21 -3.686 8.797 -37.182 151 H ILE 22 H ILE 22 -4.245 12.665 -35.644 152 HA ILE 22 HA ILE 22 -5.445 14.876 -37.068 153 HB ILE 22 HB ILE 22 -5.139 14.184 -34.133 154 HG12 ILE 22 HG12 ILE 22 -6.541 12.632 -35.461 155 HG13 ILE 22 HG13 ILE 22 -7.489 13.330 -34.327 156 HG21 ILE 22 HG21 ILE 22 -5.489 16.502 -34.070 157 HG22 ILE 22 HG22 ILE 22 -6.709 16.436 -35.392 158 HG23 ILE 22 HG23 ILE 22 -7.100 15.800 -33.798 159 HD11 ILE 22 HD11 ILE 22 -7.360 14.143 -37.231 160 HD12 ILE 22 HD12 ILE 22 -8.648 13.213 -36.483 161 HD13 ILE 22 HD13 ILE 22 -8.456 14.902 -36.016 162 H LEU 23 H LEU 23 -2.633 14.473 -35.019 163 HA LEU 23 HA LEU 23 -2.098 17.362 -35.155 164 HB2 LEU 23 HB2 LEU 23 -0.672 15.059 -33.743 165 HB3 LEU 23 HB3 LEU 23 -0.223 16.759 -33.590 166 HG LEU 23 HG LEU 23 -3.055 15.954 -32.877 167 HD11 LEU 23 HD11 LEU 23 -1.478 14.390 -31.772 168 HD12 LEU 23 HD12 LEU 23 -2.484 15.379 -30.686 169 HD13 LEU 23 HD13 LEU 23 -0.788 15.794 -30.953 170 HD21 LEU 23 HD21 LEU 23 -2.372 18.301 -32.996 171 HD22 LEU 23 HD22 LEU 23 -1.120 18.015 -31.789 172 HD23 LEU 23 HD23 LEU 23 -2.849 17.817 -31.341 173 H GLY 24 H GLY 24 -1.123 14.577 -36.860 174 HA2 GLY 24 HA2 GLY 24 0.269 14.502 -38.705 175 HA3 GLY 24 HA3 GLY 24 0.553 16.246 -38.520 176 H VAL 25 H VAL 25 1.156 13.770 -36.044 177 HA VAL 25 HA VAL 25 4.051 14.509 -36.200 178 HB VAL 25 HB VAL 25 4.208 13.989 -33.786 179 HG11 VAL 25 HG11 VAL 25 3.055 15.990 -32.961 180 HG12 VAL 25 HG12 VAL 25 3.789 16.319 -34.540 181 HG13 VAL 25 HG13 VAL 25 2.038 16.048 -34.413 182 HG21 VAL 25 HG21 VAL 25 1.155 13.757 -33.842 183 HG22 VAL 25 HG22 VAL 25 2.280 12.383 -33.645 184 HG23 VAL 25 HG23 VAL 25 2.201 13.659 -32.405 185 H GLU 26 H GLU 26 5.626 12.924 -35.714 186 HA GLU 26 HA GLU 26 5.191 10.513 -37.171 187 HB2 GLU 26 HB2 GLU 26 7.368 11.212 -35.160 188 HB3 GLU 26 HB3 GLU 26 7.472 9.996 -36.438 189 HG2 GLU 26 HG2 GLU 26 7.288 11.839 -38.152 190 HG3 GLU 26 HG3 GLU 26 7.213 12.935 -36.793 191 H ARG 27 H ARG 27 5.122 11.208 -33.700 192 HA ARG 27 HA ARG 27 4.457 8.306 -33.189 193 HB2 ARG 27 HB2 ARG 27 6.909 8.866 -32.760 194 HB3 ARG 27 HB3 ARG 27 6.408 9.832 -31.489 195 HG2 ARG 27 HG2 ARG 27 5.647 7.693 -30.460 196 HG3 ARG 27 HG3 ARG 27 5.916 6.795 -31.979 197 HD2 ARG 27 HD2 ARG 27 7.800 6.516 -30.304 198 HD3 ARG 27 HD3 ARG 27 8.351 7.410 -31.733 199 HE ARG 27 HE ARG 27 7.439 9.261 -29.783 200 HH11 ARG 27 HH11 ARG 27 10.209 7.180 -30.465 201 HH12 ARG 27 HH12 ARG 27 11.299 8.205 -29.570 202 HH21 ARG 27 HH21 ARG 27 8.879 10.518 -28.683 203 HH22 ARG 27 HH22 ARG 27 10.557 10.065 -28.591 204 H VAL 28 H VAL 28 3.464 8.155 -31.018 205 HA VAL 28 HA VAL 28 2.802 10.762 -29.620 206 HB VAL 28 HB VAL 28 0.803 8.635 -29.921 207 HG11 VAL 28 HG11 VAL 28 -0.553 10.416 -29.078 208 HG12 VAL 28 HG12 VAL 28 0.702 9.946 -27.887 209 HG13 VAL 28 HG13 VAL 28 0.892 11.409 -28.868 210 HG21 VAL 28 HG21 VAL 28 1.296 9.727 -32.179 211 HG22 VAL 28 HG22 VAL 28 -0.186 10.392 -31.496 212 HG23 VAL 28 HG23 VAL 28 1.337 11.327 -31.388 213 H GLY 29 H GLY 29 3.561 10.475 -27.390 214 HA2 GLY 29 HA2 GLY 29 3.879 7.746 -26.250 215 HA3 GLY 29 HA3 GLY 29 4.401 9.291 -25.615 216 H VAL 30 H VAL 30 3.144 7.537 -23.891 217 HA VAL 30 HA VAL 30 0.335 8.092 -23.770 218 HB VAL 30 HB VAL 30 0.844 7.435 -21.227 219 HG11 VAL 30 HG11 VAL 30 0.726 5.045 -21.839 220 HG12 VAL 30 HG12 VAL 30 -0.391 6.032 -22.795 221 HG13 VAL 30 HG13 VAL 30 1.137 5.464 -23.530 222 HG21 VAL 30 HG21 VAL 30 3.356 6.400 -22.569 223 HG22 VAL 30 HG22 VAL 30 3.276 7.809 -21.469 224 HG23 VAL 30 HG23 VAL 30 2.857 6.202 -20.882 225 H ASP 31 H ASP 31 3.069 9.919 -22.787 226 HA ASP 31 HA ASP 31 1.483 11.605 -21.003 227 HB2 ASP 31 HB2 ASP 31 4.434 11.581 -21.536 228 HB3 ASP 31 HB3 ASP 31 3.682 12.706 -20.451 229 H ASP 32 H ASP 32 1.821 11.667 -24.237 230 HA ASP 32 HA ASP 32 3.098 14.199 -24.609 231 HB2 ASP 32 HB2 ASP 32 2.048 12.053 -26.398 232 HB3 ASP 32 HB3 ASP 32 1.934 13.681 -27.010 233 H ALA 33 H ALA 33 2.132 16.126 -24.326 234 HA ALA 33 HA ALA 33 -0.754 16.149 -24.009 235 HB1 ALA 33 HB1 ALA 33 0.899 17.551 -22.694 236 HB2 ALA 33 HB2 ALA 33 1.083 18.541 -24.156 237 HB3 ALA 33 HB3 ALA 33 -0.500 18.423 -23.366 238 H PHE 34 H PHE 34 -2.223 16.680 -25.411 239 HA PHE 34 HA PHE 34 -1.846 16.727 -28.222 240 HB2 PHE 34 HB2 PHE 34 -3.973 16.292 -27.036 241 HB3 PHE 34 HB3 PHE 34 -4.035 17.994 -26.574 242 HD1 PHE 34 HD1 PHE 34 -4.221 15.429 -29.272 243 HD2 PHE 34 HD2 PHE 34 -4.790 19.575 -28.289 244 HE1 PHE 34 HE1 PHE 34 -5.502 15.749 -31.381 245 HE2 PHE 34 HE2 PHE 34 -6.105 19.908 -30.427 246 HZ PHE 34 HZ PHE 34 -6.433 17.945 -31.980 247 H HIS 35 H HIS 35 -1.949 19.442 -25.850 248 HA HIS 35 HA HIS 35 -1.866 21.458 -27.951 249 HB2 HIS 35 HB2 HIS 35 -1.786 23.067 -26.182 250 HB3 HIS 35 HB3 HIS 35 -2.982 21.831 -25.775 251 HD1 HIS 35 HD1 HIS 35 -2.842 21.087 -23.350 252 HD2 HIS 35 HD2 HIS 35 0.859 22.369 -24.837 253 HE1 HIS 35 HE1 HIS 35 -1.165 20.872 -21.451 254 H ASP 36 H ASP 36 0.616 19.567 -26.359 255 HA ASP 36 HA ASP 36 2.701 21.633 -26.742 256 HB2 ASP 36 HB2 ASP 36 2.800 18.690 -25.956 257 HB3 ASP 36 HB3 ASP 36 4.248 19.667 -26.232 258 H LEU 37 H LEU 37 1.254 18.873 -28.287 259 HA LEU 37 HA LEU 37 3.204 18.711 -30.453 260 HB2 LEU 37 HB2 LEU 37 0.463 17.461 -30.108 261 HB3 LEU 37 HB3 LEU 37 1.628 17.033 -31.342 262 HG LEU 37 HG LEU 37 2.040 16.563 -28.360 263 HD11 LEU 37 HD11 LEU 37 0.289 15.179 -29.059 264 HD12 LEU 37 HD12 LEU 37 1.760 14.181 -28.959 265 HD13 LEU 37 HD13 LEU 37 1.144 14.727 -30.548 266 HD21 LEU 37 HD21 LEU 37 3.836 15.127 -28.979 267 HD22 LEU 37 HD22 LEU 37 4.089 16.780 -29.618 268 HD23 LEU 37 HD23 LEU 37 3.556 15.489 -30.703 269 H GLY 38 H GLY 38 1.516 21.237 -29.893 270 HA2 GLY 38 HA2 GLY 38 1.008 22.956 -31.370 271 HA3 GLY 38 HA3 GLY 38 1.104 21.811 -32.707 272 H GLY 39 H GLY 39 -1.028 20.512 -30.474 273 HA2 GLY 39 HA2 GLY 39 -3.218 20.968 -32.228 274 HA3 GLY 39 HA3 GLY 39 -3.311 20.161 -30.692 275 H SER 40 H SER 40 -5.209 21.944 -31.931 276 HA SER 40 HA SER 40 -5.277 24.149 -29.909 277 HB2 SER 40 HB2 SER 40 -6.395 25.518 -31.639 278 HB3 SER 40 HB3 SER 40 -4.786 25.011 -32.187 279 HG SER 40 HG SER 40 -5.716 24.058 -33.789 280 H SER 41 H SER 41 -7.623 24.974 -29.673 281 HA SER 41 HA SER 41 -9.330 22.785 -28.935 282 HB2 SER 41 HB2 SER 41 -11.033 24.688 -28.751 283 HB3 SER 41 HB3 SER 41 -9.561 24.852 -27.767 284 HG SER 41 HG SER 41 -10.125 26.766 -28.962 285 H ALA 42 H ALA 42 -9.016 24.758 -31.851 286 HA ALA 42 HA ALA 42 -11.478 23.897 -33.069 287 HB1 ALA 42 HB1 ALA 42 -10.400 24.731 -35.171 288 HB2 ALA 42 HB2 ALA 42 -10.257 25.908 -33.840 289 HB3 ALA 42 HB3 ALA 42 -8.855 24.906 -34.297 290 H LEU 43 H LEU 43 -8.105 22.737 -33.169 291 HA LEU 43 HA LEU 43 -8.589 20.635 -35.057 292 HB2 LEU 43 HB2 LEU 43 -6.390 21.661 -34.404 293 HB3 LEU 43 HB3 LEU 43 -6.468 20.761 -32.886 294 HG LEU 43 HG LEU 43 -6.516 18.642 -34.202 295 HD11 LEU 43 HD11 LEU 43 -5.938 20.485 -36.551 296 HD12 LEU 43 HD12 LEU 43 -7.354 19.426 -36.358 297 HD13 LEU 43 HD13 LEU 43 -5.745 18.718 -36.570 298 HD21 LEU 43 HD21 LEU 43 -4.472 19.489 -33.220 299 HD22 LEU 43 HD22 LEU 43 -4.150 20.471 -34.669 300 HD23 LEU 43 HD23 LEU 43 -4.137 18.685 -34.766 301 H ALA 44 H ALA 44 -8.869 20.859 -31.533 302 HA ALA 44 HA ALA 44 -8.964 18.121 -30.900 303 HB1 ALA 44 HB1 ALA 44 -10.493 20.431 -29.652 304 HB2 ALA 44 HB2 ALA 44 -10.245 18.834 -28.916 305 HB3 ALA 44 HB3 ALA 44 -8.854 19.889 -29.220 306 H MET 45 H MET 45 -11.490 20.173 -32.369 307 HA MET 45 HA MET 45 -13.668 18.467 -31.882 308 HB2 MET 45 HB2 MET 45 -13.149 20.232 -34.227 309 HB3 MET 45 HB3 MET 45 -14.673 19.597 -33.810 310 HG2 MET 45 HG2 MET 45 -13.144 21.467 -32.021 311 HG3 MET 45 HG3 MET 45 -14.501 21.919 -33.080 312 HE1 MET 45 HE1 MET 45 -14.439 22.608 -30.003 313 HE2 MET 45 HE2 MET 45 -15.845 22.975 -31.027 314 HE3 MET 45 HE3 MET 45 -16.066 22.127 -29.473 315 H ARG 46 H ARG 46 -11.033 18.349 -34.230 316 HA ARG 46 HA ARG 46 -12.338 16.403 -35.975 317 HB2 ARG 46 HB2 ARG 46 -9.380 17.119 -35.795 318 HB3 ARG 46 HB3 ARG 46 -10.210 16.326 -37.139 319 HG2 ARG 46 HG2 ARG 46 -10.488 19.241 -36.206 320 HG3 ARG 46 HG3 ARG 46 -9.764 18.632 -37.706 321 HD2 ARG 46 HD2 ARG 46 -12.120 17.684 -38.309 322 HD3 ARG 46 HD3 ARG 46 -12.621 18.471 -36.879 323 HE ARG 46 HE ARG 46 -11.131 20.265 -38.621 324 HH11 ARG 46 HH11 ARG 46 -14.294 18.600 -38.553 325 HH12 ARG 46 HH12 ARG 46 -15.043 19.813 -39.551 326 HH21 ARG 46 HH21 ARG 46 -12.184 21.725 -39.948 327 HH22 ARG 46 HH22 ARG 46 -13.877 21.518 -40.309 328 H LEU 47 H LEU 47 -10.132 16.385 -33.235 329 HA LEU 47 HA LEU 47 -9.414 13.571 -33.397 330 HB2 LEU 47 HB2 LEU 47 -8.244 15.271 -32.021 331 HB3 LEU 47 HB3 LEU 47 -9.651 15.416 -31.016 332 HG LEU 47 HG LEU 47 -9.408 13.036 -30.393 333 HD11 LEU 47 HD11 LEU 47 -8.154 12.129 -32.273 334 HD12 LEU 47 HD12 LEU 47 -7.256 11.884 -30.769 335 HD13 LEU 47 HD13 LEU 47 -6.804 13.198 -31.893 336 HD21 LEU 47 HD21 LEU 47 -7.709 13.308 -28.788 337 HD22 LEU 47 HD22 LEU 47 -8.549 14.868 -29.004 338 HD23 LEU 47 HD23 LEU 47 -6.971 14.601 -29.775 339 H ILE 48 H ILE 48 -12.006 15.403 -31.717 340 HA ILE 48 HA ILE 48 -13.217 13.137 -30.495 341 HB ILE 48 HB ILE 48 -14.441 15.792 -31.399 342 HG12 ILE 48 HG12 ILE 48 -13.709 14.934 -28.579 343 HG13 ILE 48 HG13 ILE 48 -12.534 15.718 -29.623 344 HG21 ILE 48 HG21 ILE 48 -16.233 14.089 -31.095 345 HG22 ILE 48 HG22 ILE 48 -15.582 13.689 -29.488 346 HG23 ILE 48 HG23 ILE 48 -16.287 15.285 -29.798 347 HD11 ILE 48 HD11 ILE 48 -14.057 17.670 -29.838 348 HD12 ILE 48 HD12 ILE 48 -15.157 16.897 -28.673 349 HD13 ILE 48 HD13 ILE 48 -13.515 17.351 -28.168 350 H ALA 49 H ALA 49 -13.756 14.661 -33.695 351 HA ALA 49 HA ALA 49 -15.924 12.997 -34.445 352 HB1 ALA 49 HB1 ALA 49 -13.770 14.230 -36.227 353 HB2 ALA 49 HB2 ALA 49 -15.367 13.658 -36.754 354 HB3 ALA 49 HB3 ALA 49 -15.242 15.061 -35.671 355 H ARG 50 H ARG 50 -12.350 12.515 -34.843 356 HA ARG 50 HA ARG 50 -12.450 10.137 -36.367 357 HB2 ARG 50 HB2 ARG 50 -10.539 11.742 -34.942 358 HB3 ARG 50 HB3 ARG 50 -10.269 10.079 -34.579 359 HG2 ARG 50 HG2 ARG 50 -10.395 11.289 -37.367 360 HG3 ARG 50 HG3 ARG 50 -8.947 10.848 -36.501 361 HD2 ARG 50 HD2 ARG 50 -9.919 8.472 -36.381 362 HD3 ARG 50 HD3 ARG 50 -11.053 9.006 -37.609 363 HE ARG 50 HE ARG 50 -8.112 8.603 -37.885 364 HH11 ARG 50 HH11 ARG 50 -11.036 9.859 -39.464 365 HH12 ARG 50 HH12 ARG 50 -10.296 9.848 -41.037 366 HH21 ARG 50 HH21 ARG 50 -7.254 8.607 -39.893 367 HH22 ARG 50 HH22 ARG 50 -8.178 9.156 -41.278 368 H ILE 51 H ILE 51 -12.524 10.697 -32.827 369 HA ILE 51 HA ILE 51 -12.317 7.900 -31.971 370 HB ILE 51 HB ILE 51 -13.567 10.323 -30.612 371 HG12 ILE 51 HG12 ILE 51 -10.953 8.812 -30.090 372 HG13 ILE 51 HG13 ILE 51 -11.025 10.169 -31.188 373 HG21 ILE 51 HG21 ILE 51 -13.449 8.952 -28.539 374 HG22 ILE 51 HG22 ILE 51 -14.624 8.360 -29.758 375 HG23 ILE 51 HG23 ILE 51 -13.024 7.588 -29.560 376 HD11 ILE 51 HD11 ILE 51 -11.643 10.256 -28.197 377 HD12 ILE 51 HD12 ILE 51 -10.225 10.940 -29.016 378 HD13 ILE 51 HD13 ILE 51 -11.833 11.632 -29.308 379 H ARG 52 H ARG 52 -15.108 9.830 -33.172 380 HA ARG 52 HA ARG 52 -17.096 7.953 -32.278 381 HB2 ARG 52 HB2 ARG 52 -17.212 9.753 -34.690 382 HB3 ARG 52 HB3 ARG 52 -18.470 8.847 -33.896 383 HG2 ARG 52 HG2 ARG 52 -18.330 10.308 -31.945 384 HG3 ARG 52 HG3 ARG 52 -16.754 10.942 -32.540 385 HD2 ARG 52 HD2 ARG 52 -18.312 12.605 -33.328 386 HD3 ARG 52 HD3 ARG 52 -18.195 11.499 -34.640 387 HE ARG 52 HE ARG 52 -20.142 10.748 -32.668 388 HH11 ARG 52 HH11 ARG 52 -19.592 13.324 -35.146 389 HH12 ARG 52 HH12 ARG 52 -21.292 13.622 -35.348 390 HH21 ARG 52 HH21 ARG 52 -22.388 11.283 -33.012 391 HH22 ARG 52 HH22 ARG 52 -22.785 12.504 -34.198 392 H GLU 53 H GLU 53 -15.107 7.984 -35.118 393 HA GLU 53 HA GLU 53 -16.594 6.079 -36.591 394 HB2 GLU 53 HB2 GLU 53 -13.752 6.799 -36.811 395 HB3 GLU 53 HB3 GLU 53 -14.818 6.152 -38.089 396 HG2 GLU 53 HG2 GLU 53 -14.883 8.896 -36.901 397 HG3 GLU 53 HG3 GLU 53 -14.531 8.618 -38.551 398 H GLU 54 H GLU 54 -13.763 6.131 -34.472 399 HA GLU 54 HA GLU 54 -13.025 3.527 -35.009 400 HB2 GLU 54 HB2 GLU 54 -12.201 5.543 -33.051 401 HB3 GLU 54 HB3 GLU 54 -11.482 3.954 -33.014 402 HG2 GLU 54 HG2 GLU 54 -11.347 5.877 -35.352 403 HG3 GLU 54 HG3 GLU 54 -10.051 5.495 -34.219 404 H LEU 55 H LEU 55 -14.498 5.203 -32.193 405 HA LEU 55 HA LEU 55 -14.876 2.566 -30.862 406 HB2 LEU 55 HB2 LEU 55 -14.846 5.282 -29.636 407 HB3 LEU 55 HB3 LEU 55 -14.838 3.731 -28.781 408 HG LEU 55 HG LEU 55 -12.487 4.854 -30.396 409 HD11 LEU 55 HD11 LEU 55 -11.319 5.003 -28.282 410 HD12 LEU 55 HD12 LEU 55 -12.767 4.291 -27.432 411 HD13 LEU 55 HD13 LEU 55 -12.899 5.925 -28.237 412 HD21 LEU 55 HD21 LEU 55 -11.225 2.873 -29.488 413 HD22 LEU 55 HD22 LEU 55 -12.522 2.413 -30.612 414 HD23 LEU 55 HD23 LEU 55 -12.758 2.224 -28.872 415 H GLY 56 H GLY 56 -16.542 4.801 -32.513 416 HA2 GLY 56 HA2 GLY 56 -18.854 4.863 -32.843 417 HA3 GLY 56 HA3 GLY 56 -19.053 3.547 -31.681 418 H VAL 57 H VAL 57 -17.373 6.381 -30.542 419 HA VAL 57 HA VAL 57 -19.887 7.420 -29.368 420 HB VAL 57 HB VAL 57 -18.781 7.585 -27.109 421 HG11 VAL 57 HG11 VAL 57 -19.141 5.261 -26.460 422 HG12 VAL 57 HG12 VAL 57 -20.351 5.726 -27.686 423 HG13 VAL 57 HG13 VAL 57 -18.952 4.721 -28.151 424 HG21 VAL 57 HG21 VAL 57 -16.675 5.720 -28.292 425 HG22 VAL 57 HG22 VAL 57 -16.413 7.429 -27.863 426 HG23 VAL 57 HG23 VAL 57 -16.791 6.249 -26.596 427 H ASP 58 H ASP 58 -19.882 9.542 -28.743 428 HA ASP 58 HA ASP 58 -17.839 11.312 -29.914 429 HB2 ASP 58 HB2 ASP 58 -20.376 11.698 -28.330 430 HB3 ASP 58 HB3 ASP 58 -19.222 13.026 -28.494 431 H LEU 59 H LEU 59 -15.935 11.599 -28.909 432 HA LEU 59 HA LEU 59 -15.448 10.871 -26.211 433 HB2 LEU 59 HB2 LEU 59 -13.655 11.151 -27.857 434 HB3 LEU 59 HB3 LEU 59 -13.983 12.874 -27.948 435 HG LEU 59 HG LEU 59 -13.504 12.863 -25.397 436 HD11 LEU 59 HD11 LEU 59 -13.414 10.396 -25.159 437 HD12 LEU 59 HD12 LEU 59 -11.974 11.224 -24.551 438 HD13 LEU 59 HD13 LEU 59 -11.928 10.393 -26.122 439 HD21 LEU 59 HD21 LEU 59 -12.100 13.991 -27.032 440 HD22 LEU 59 HD22 LEU 59 -11.137 12.508 -27.210 441 HD23 LEU 59 HD23 LEU 59 -11.198 13.353 -25.643 442 HA PRO 60 HA PRO 60 -17.467 14.427 -24.388 443 HB2 PRO 60 HB2 PRO 60 -15.869 13.714 -21.958 444 HB3 PRO 60 HB3 PRO 60 -17.632 13.929 -22.113 445 HG2 PRO 60 HG2 PRO 60 -16.579 11.513 -21.808 446 HG3 PRO 60 HG3 PRO 60 -17.938 11.775 -22.943 447 HD2 PRO 60 HD2 PRO 60 -14.985 11.524 -23.545 448 HD3 PRO 60 HD3 PRO 60 -16.396 10.766 -24.350 449 H ILE 61 H ILE 61 -16.632 16.409 -24.996 450 HA ILE 61 HA ILE 61 -13.851 16.932 -25.151 451 HB ILE 61 HB ILE 61 -15.725 18.095 -26.406 452 HG12 ILE 61 HG12 ILE 61 -13.759 19.984 -25.106 453 HG13 ILE 61 HG13 ILE 61 -13.275 18.780 -26.298 454 HG21 ILE 61 HG21 ILE 61 -15.921 19.904 -23.946 455 HG22 ILE 61 HG22 ILE 61 -16.822 20.044 -25.463 456 HG23 ILE 61 HG23 ILE 61 -17.132 18.668 -24.386 457 HD11 ILE 61 HD11 ILE 61 -14.906 19.825 -27.945 458 HD12 ILE 61 HD12 ILE 61 -15.167 21.120 -26.748 459 HD13 ILE 61 HD13 ILE 61 -13.559 20.888 -27.455 460 H ARG 62 H ARG 62 -16.079 17.194 -22.474 461 HA ARG 62 HA ARG 62 -14.553 18.928 -20.783 462 HB2 ARG 62 HB2 ARG 62 -16.890 18.232 -20.318 463 HB3 ARG 62 HB3 ARG 62 -16.344 16.571 -20.081 464 HG2 ARG 62 HG2 ARG 62 -16.662 17.443 -17.907 465 HG3 ARG 62 HG3 ARG 62 -14.908 17.431 -18.139 466 HD2 ARG 62 HD2 ARG 62 -14.993 19.848 -18.728 467 HD3 ARG 62 HD3 ARG 62 -16.753 19.831 -18.460 468 HE ARG 62 HE ARG 62 -15.319 18.834 -16.162 469 HH11 ARG 62 HH11 ARG 62 -16.229 21.852 -17.755 470 HH12 ARG 62 HH12 ARG 62 -16.125 22.773 -16.278 471 HH21 ARG 62 HH21 ARG 62 -15.190 20.096 -14.317 472 HH22 ARG 62 HH22 ARG 62 -15.565 21.797 -14.376 473 H GLN 63 H GLN 63 -14.367 15.402 -21.359 474 HA GLN 63 HA GLN 63 -12.374 14.933 -19.310 475 HB2 GLN 63 HB2 GLN 63 -13.560 13.416 -21.560 476 HB3 GLN 63 HB3 GLN 63 -11.985 12.920 -21.037 477 HG2 GLN 63 HG2 GLN 63 -13.849 11.684 -19.907 478 HG3 GLN 63 HG3 GLN 63 -12.730 12.461 -18.812 479 HE21 GLN 63 HE21 GLN 63 -15.977 12.411 -20.062 480 HE22 GLN 63 HE22 GLN 63 -16.653 13.537 -18.915 481 H LEU 64 H LEU 64 -12.275 15.692 -22.786 482 HA LEU 64 HA LEU 64 -9.471 15.294 -23.069 483 HB2 LEU 64 HB2 LEU 64 -11.195 15.511 -24.886 484 HB3 LEU 64 HB3 LEU 64 -11.256 17.237 -24.577 485 HG LEU 64 HG LEU 64 -8.861 17.426 -25.236 486 HD11 LEU 64 HD11 LEU 64 -9.175 14.493 -26.007 487 HD12 LEU 64 HD12 LEU 64 -8.085 15.147 -24.741 488 HD13 LEU 64 HD13 LEU 64 -7.785 15.566 -26.457 489 HD21 LEU 64 HD21 LEU 64 -10.695 16.071 -27.243 490 HD22 LEU 64 HD22 LEU 64 -9.261 17.091 -27.626 491 HD23 LEU 64 HD23 LEU 64 -10.677 17.820 -26.813 492 H PHE 65 H PHE 65 -11.409 18.229 -22.304 493 HA PHE 65 HA PHE 65 -9.097 19.949 -22.143 494 HB2 PHE 65 HB2 PHE 65 -11.904 20.176 -21.005 495 HB3 PHE 65 HB3 PHE 65 -10.685 21.433 -20.826 496 HD1 PHE 65 HD2 PHE 65 -9.826 20.299 -23.986 497 HD2 PHE 65 HD1 PHE 65 -13.111 22.278 -22.002 498 HE1 PHE 65 HE2 PHE 65 -10.511 21.321 -26.125 499 HE2 PHE 65 HE1 PHE 65 -13.779 23.310 -24.174 500 HZ PHE 65 HZ PHE 65 -12.471 22.846 -26.223 501 H SER 66 H SER 66 -10.690 17.831 -19.786 502 HA SER 66 HA SER 66 -9.317 19.000 -17.490 503 HB2 SER 66 HB2 SER 66 -10.678 16.295 -17.799 504 HB3 SER 66 HB3 SER 66 -10.191 17.061 -16.276 505 HG SER 66 HG SER 66 -12.169 17.899 -18.136 506 H SER 67 H SER 67 -8.534 16.633 -19.927 507 HA SER 67 HA SER 67 -5.882 16.213 -18.665 508 HB2 SER 67 HB2 SER 67 -7.785 13.947 -19.371 509 HB3 SER 67 HB3 SER 67 -6.080 13.759 -18.913 510 HG SER 67 HG SER 67 -7.309 15.305 -17.107 511 HA PRO 68 HA PRO 68 -5.905 16.630 -23.234 512 HB2 PRO 68 HB2 PRO 68 -3.860 18.415 -23.516 513 HB3 PRO 68 HB3 PRO 68 -5.467 18.919 -22.893 514 HG2 PRO 68 HG2 PRO 68 -3.002 18.171 -21.341 515 HG3 PRO 68 HG3 PRO 68 -3.995 19.666 -21.230 516 HD2 PRO 68 HD2 PRO 68 -4.346 17.570 -19.541 517 HD3 PRO 68 HD3 PRO 68 -5.740 18.556 -20.124 518 H THR 69 H THR 69 -4.302 14.548 -21.538 519 HA THR 69 HA THR 69 -2.165 14.074 -23.583 520 HB THR 69 HB THR 69 -1.122 12.569 -21.833 521 HG1 THR 69 HG1 THR 69 -1.810 12.983 -19.664 522 HG21 THR 69 HG21 THR 69 -1.424 15.451 -21.003 523 HG22 THR 69 HG22 THR 69 -0.249 14.797 -22.178 524 HG23 THR 69 HG23 THR 69 -0.151 14.318 -20.488 525 HA PRO 70 HA PRO 70 -4.674 10.712 -24.635 526 HB2 PRO 70 HB2 PRO 70 -2.962 8.707 -25.354 527 HB3 PRO 70 HB3 PRO 70 -3.157 10.208 -26.307 528 HG2 PRO 70 HG2 PRO 70 -1.115 9.548 -24.275 529 HG3 PRO 70 HG3 PRO 70 -0.930 10.134 -25.959 530 HD2 PRO 70 HD2 PRO 70 -0.820 11.833 -23.905 531 HD3 PRO 70 HD3 PRO 70 -1.675 12.272 -25.431 532 H ALA 71 H ALA 71 -2.099 9.707 -22.254 533 HA ALA 71 HA ALA 71 -3.696 7.451 -21.342 534 HB1 ALA 71 HB1 ALA 71 -2.094 7.461 -19.449 535 HB2 ALA 71 HB2 ALA 71 -1.288 7.514 -21.018 536 HB3 ALA 71 HB3 ALA 71 -1.411 8.997 -20.038 537 H GLY 72 H GLY 72 -3.473 10.873 -20.602 538 HA2 GLY 72 HA2 GLY 72 -4.774 10.744 -18.029 539 HA3 GLY 72 HA3 GLY 72 -4.563 12.182 -19.042 540 H VAL 73 H VAL 73 -5.916 11.594 -21.352 541 HA VAL 73 HA VAL 73 -8.578 11.998 -20.463 542 HB VAL 73 HB VAL 73 -7.499 12.843 -22.609 543 HG11 VAL 73 HG11 VAL 73 -8.206 10.128 -23.732 544 HG12 VAL 73 HG12 VAL 73 -7.632 11.555 -24.631 545 HG13 VAL 73 HG13 VAL 73 -6.554 10.763 -23.446 546 HG21 VAL 73 HG21 VAL 73 -10.193 11.446 -22.887 547 HG22 VAL 73 HG22 VAL 73 -9.869 13.064 -22.129 548 HG23 VAL 73 HG23 VAL 73 -9.565 12.830 -23.905 549 H ALA 74 H ALA 74 -6.822 9.058 -21.513 550 HA ALA 74 HA ALA 74 -9.107 7.435 -21.876 551 HB1 ALA 74 HB1 ALA 74 -6.820 6.815 -22.650 552 HB2 ALA 74 HB2 ALA 74 -6.281 6.691 -20.976 553 HB3 ALA 74 HB3 ALA 74 -7.506 5.545 -21.608 554 H ARG 75 H ARG 75 -7.099 7.889 -18.953 555 HA ARG 75 HA ARG 75 -8.809 6.130 -17.410 556 HB2 ARG 75 HB2 ARG 75 -7.649 6.764 -15.429 557 HB3 ARG 75 HB3 ARG 75 -6.525 6.659 -16.791 558 HG2 ARG 75 HG2 ARG 75 -6.354 8.951 -16.981 559 HG3 ARG 75 HG3 ARG 75 -7.606 9.360 -15.915 560 HD2 ARG 75 HD2 ARG 75 -6.449 8.135 -14.015 561 HD3 ARG 75 HD3 ARG 75 -5.071 7.979 -15.100 562 HE ARG 75 HE ARG 75 -6.123 10.570 -14.102 563 HH11 ARG 75 HH11 ARG 75 -3.448 8.728 -15.508 564 HH12 ARG 75 HH12 ARG 75 -2.356 10.082 -15.392 565 HH21 ARG 75 HH21 ARG 75 -4.662 12.244 -14.031 566 HH22 ARG 75 HH22 ARG 75 -3.021 12.034 -14.583 567 H ALA 76 H ALA 76 -8.933 9.555 -18.175 568 HA ALA 76 HA ALA 76 -10.809 10.208 -16.091 569 HB1 ALA 76 HB1 ALA 76 -9.326 11.877 -17.243 570 HB2 ALA 76 HB2 ALA 76 -10.260 11.646 -18.739 571 HB3 ALA 76 HB3 ALA 76 -11.043 12.337 -17.295 572 H LEU 77 H LEU 77 -11.166 9.239 -19.522 573 HA LEU 77 HA LEU 77 -14.052 9.581 -19.369 574 HB2 LEU 77 HB2 LEU 77 -14.123 8.805 -21.618 575 HB3 LEU 77 HB3 LEU 77 -12.737 9.887 -21.453 576 HG LEU 77 HG LEU 77 -11.439 7.566 -21.171 577 HD11 LEU 77 HD11 LEU 77 -13.449 6.133 -21.302 578 HD12 LEU 77 HD12 LEU 77 -12.316 5.836 -22.631 579 HD13 LEU 77 HD13 LEU 77 -13.790 6.805 -22.916 580 HD21 LEU 77 HD21 LEU 77 -10.953 7.594 -23.527 581 HD22 LEU 77 HD22 LEU 77 -11.055 9.251 -22.889 582 HD23 LEU 77 HD23 LEU 77 -12.405 8.577 -23.822 583 H ALA 78 H ALA 78 -11.783 6.922 -18.867 584 HA ALA 78 HA ALA 78 -13.635 4.786 -18.969 585 HB1 ALA 78 HB1 ALA 78 -11.204 5.138 -17.160 586 HB2 ALA 78 HB2 ALA 78 -12.040 3.604 -17.491 587 HB3 ALA 78 HB3 ALA 78 -11.198 4.456 -18.806 588 H ALA 79 H ALA 79 -12.969 7.131 -16.378 589 HA ALA 79 HA ALA 79 -14.442 5.836 -14.320 590 HB1 ALA 79 HB1 ALA 79 -14.020 8.820 -14.813 591 HB2 ALA 79 HB2 ALA 79 -14.525 8.080 -13.269 592 HB3 ALA 79 HB3 ALA 79 -12.910 7.737 -13.938 593 H LYS 80 H LYS 80 -15.545 7.643 -17.135 594 HA LYS 80 HA LYS 80 -18.203 8.120 -16.021 595 HB2 LYS 80 HB2 LYS 80 -17.206 8.275 -18.886 596 HB3 LYS 80 HB3 LYS 80 -18.792 8.777 -18.334 597 HG2 LYS 80 HG2 LYS 80 -16.112 10.017 -17.546 598 HG3 LYS 80 HG3 LYS 80 -17.314 10.705 -18.636 599 HD2 LYS 80 HD2 LYS 80 -17.612 10.272 -15.621 600 HD3 LYS 80 HD3 LYS 80 -17.449 11.817 -16.464 601 HE2 LYS 80 HE2 LYS 80 -19.806 9.891 -16.668 602 HE3 LYS 80 HE3 LYS 80 -19.782 11.401 -15.762 603 HZ1 LYS 80 HZ1 LYS 80 -19.537 12.578 -17.880 604 HZ2 LYS 80 HZ2 LYS 80 -20.899 11.652 -17.867 605 HZ3 LYS 80 HZ3 LYS 80 -19.570 11.147 -18.700 606 H SER 81 H SER 81 -16.711 5.318 -17.315 607 HA SER 81 HA SER 81 -19.010 4.234 -18.680 608 HB2 SER 81 HB2 SER 81 -16.729 3.335 -18.978 609 HB3 SER 81 HB3 SER 81 -16.682 2.846 -17.282 610 HG SER 81 HG SER 81 -18.597 1.912 -19.165 611 H ALA 82 H ALA 82 -17.901 4.301 -15.299 612 HA ALA 82 HA ALA 82 -19.799 2.399 -14.317 613 HB1 ALA 82 HB1 ALA 82 -17.821 3.082 -13.013 614 HB2 ALA 82 HB2 ALA 82 -18.455 4.746 -12.908 615 HB3 ALA 82 HB3 ALA 82 -19.316 3.420 -12.102 616 H SER 83 H SER 83 -19.970 5.862 -14.989 617 HA SER 83 HA SER 83 -22.627 6.090 -13.739 618 HB2 SER 83 HB2 SER 83 -22.428 8.462 -14.427 619 HB3 SER 83 HB3 SER 83 -21.055 7.904 -13.449 620 HG SER 83 HG SER 83 -20.808 7.594 -16.203 621 H TRP 84 H TRP 84 -21.677 4.795 -16.604 622 HA TRP 84 HA TRP 84 -23.761 6.048 -18.291 623 HB2 TRP 84 HB2 TRP 84 -21.543 5.207 -19.194 624 HB3 TRP 84 HB3 TRP 84 -22.078 3.571 -18.809 625 HD1 TRP 84 HD1 TRP 84 -22.725 6.434 -21.258 626 HE1 TRP 84 HE1 TRP 84 -24.066 5.610 -23.261 627 HE3 TRP 84 HE3 TRP 84 -23.796 1.740 -19.507 628 HZ2 TRP 84 HZ2 TRP 84 -25.443 3.229 -24.016 629 HZ3 TRP 84 HZ3 TRP 84 -25.150 0.209 -20.956 630 HH2 TRP 84 HH2 TRP 84 -25.956 0.963 -23.186 631 H SER 85 H SER 85 -23.155 3.344 -16.170 632 HA SER 85 HA SER 85 -25.353 1.683 -16.907 633 HB2 SER 85 HB2 SER 85 -24.013 2.025 -14.195 634 HB3 SER 85 HB3 SER 85 -24.984 0.636 -14.735 635 HG SER 85 HG SER 85 -22.557 0.567 -14.907 636 H HIS 86 H HIS 86 -27.452 1.599 -16.185 637 HA HIS 86 HA HIS 86 -28.641 4.062 -15.328 638 HB2 HIS 86 HB2 HIS 86 -29.590 1.240 -15.775 639 HB3 HIS 86 HB3 HIS 86 -30.629 2.364 -14.897 640 HD1 HIS 86 HD1 HIS 86 -32.417 2.867 -16.565 641 HD2 HIS 86 HD2 HIS 86 -28.588 3.351 -18.165 642 HE1 HIS 86 HE1 HIS 86 -32.725 3.947 -18.831 643 HA PRO 87 HA PRO 87 -28.352 3.523 -10.961 644 HB2 PRO 87 HB2 PRO 87 -30.502 4.953 -10.052 645 HB3 PRO 87 HB3 PRO 87 -29.090 5.754 -10.807 646 HG2 PRO 87 HG2 PRO 87 -31.700 4.957 -12.069 647 HG3 PRO 87 HG3 PRO 87 -30.880 6.552 -12.104 648 HD2 PRO 87 HD2 PRO 87 -30.660 4.780 -14.128 649 HD3 PRO 87 HD3 PRO 87 -29.264 5.798 -13.623 650 H GLN 88 H GLN 88 -29.405 2.379 -9.174 651 HA GLN 88 HA GLN 88 -30.992 0.146 -9.988 652 HB2 GLN 88 HB2 GLN 88 -29.471 0.185 -8.011 653 HB3 GLN 88 HB3 GLN 88 -30.581 1.300 -7.194 654 HG2 GLN 88 HG2 GLN 88 -30.914 -0.973 -6.381 655 HG3 GLN 88 HG3 GLN 88 -32.351 -0.417 -7.239 656 HE21 GLN 88 HE21 GLN 88 -33.077 -1.526 -9.001 657 HE22 GLN 88 HE22 GLN 88 -32.297 -2.965 -9.629 658 H PHE 89 H PHE 89 -31.828 3.316 -8.651 659 HA PHE 89 HA PHE 89 -34.716 2.588 -8.756 660 HB2 PHE 89 HB2 PHE 89 -33.249 5.011 -7.618 661 HB3 PHE 89 HB3 PHE 89 -35.007 4.851 -7.706 662 HD1 PHE 89 HD2 PHE 89 -31.949 3.598 -6.019 663 HD2 PHE 89 HD1 PHE 89 -36.242 3.423 -6.199 664 HE1 PHE 89 HE2 PHE 89 -31.988 2.459 -3.812 665 HE2 PHE 89 HE1 PHE 89 -36.293 2.289 -3.980 666 HZ PHE 89 HZ PHE 89 -34.172 1.801 -2.784 667 H GLU 90 H GLU 90 -35.389 2.794 -10.830 668 HA GLU 90 HA GLU 90 -34.144 4.706 -12.650 669 HB2 GLU 90 HB2 GLU 90 -36.577 2.899 -12.909 670 HB3 GLU 90 HB3 GLU 90 -35.904 3.842 -14.236 671 HG2 GLU 90 HG2 GLU 90 -34.200 1.812 -12.734 672 HG3 GLU 90 HG3 GLU 90 -35.310 1.323 -14.021 673 H LYS 91 H LYS 91 -34.862 6.697 -13.203 674 HA LYS 91 HA LYS 91 -37.626 7.562 -12.622 675 HB2 LYS 91 HB2 LYS 91 -35.129 8.875 -11.450 676 HB3 LYS 91 HB3 LYS 91 -36.611 9.767 -11.758 677 HG2 LYS 91 HG2 LYS 91 -36.961 9.320 -9.560 678 HG3 LYS 91 HG3 LYS 91 -37.740 7.907 -10.267 679 HD2 LYS 91 HD2 LYS 91 -36.364 7.295 -8.324 680 HD3 LYS 91 HD3 LYS 91 -35.759 6.528 -9.783 681 HE2 LYS 91 HE2 LYS 91 -33.945 7.384 -8.334 682 HE3 LYS 91 HE3 LYS 91 -33.932 8.126 -9.941 683 HZ1 LYS 91 HZ1 LYS 91 -35.053 10.046 -9.004 684 HZ2 LYS 91 HZ2 LYS 91 -33.627 9.768 -8.216 685 HZ3 LYS 91 HZ3 LYS 91 -35.064 9.366 -7.501 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.376 -2.962 -0.664 2 HA2 GLY 1 HA2 GLY 1 -7.078 -3.090 -0.210 3 HA3 GLY 1 HA3 GLY 1 -7.046 -4.417 -1.400 4 H ALA 2 H ALA 2 -4.787 -3.242 -1.626 5 HA ALA 2 HA ALA 2 -4.823 -0.822 -3.226 6 HB1 ALA 2 HB1 ALA 2 -2.670 -2.969 -2.845 7 HB2 ALA 2 HB2 ALA 2 -2.414 -1.404 -3.645 8 HB3 ALA 2 HB3 ALA 2 -2.810 -1.463 -1.904 9 H MET 3 H MET 3 -4.309 -0.730 -5.503 10 HA MET 3 HA MET 3 -5.518 -2.967 -7.028 11 HB2 MET 3 HB2 MET 3 -4.346 -0.303 -7.929 12 HB3 MET 3 HB3 MET 3 -5.219 -1.452 -8.953 13 HG2 MET 3 HG2 MET 3 -7.264 -1.101 -7.582 14 HG3 MET 3 HG3 MET 3 -6.369 0.066 -6.584 15 HE1 MET 3 HE1 MET 3 -9.031 0.938 -7.982 16 HE2 MET 3 HE2 MET 3 -8.017 2.118 -7.113 17 HE3 MET 3 HE3 MET 3 -8.608 2.485 -8.761 18 H ALA 4 H ALA 4 -4.455 -4.160 -8.603 19 HA ALA 4 HA ALA 4 -1.537 -4.349 -8.442 20 HB1 ALA 4 HB1 ALA 4 -2.906 -6.377 -8.976 21 HB2 ALA 4 HB2 ALA 4 -3.523 -5.557 -10.436 22 HB3 ALA 4 HB3 ALA 4 -1.805 -5.981 -10.312 23 H LYS 5 H LYS 5 -0.187 -3.816 -10.395 24 HA LYS 5 HA LYS 5 -0.962 -1.220 -11.448 25 HB2 LYS 5 HB2 LYS 5 1.260 -3.116 -12.320 26 HB3 LYS 5 HB3 LYS 5 1.060 -1.445 -12.866 27 HG2 LYS 5 HG2 LYS 5 1.610 -2.329 -10.001 28 HG3 LYS 5 HG3 LYS 5 2.799 -1.660 -11.121 29 HD2 LYS 5 HD2 LYS 5 1.453 0.454 -11.230 30 HD3 LYS 5 HD3 LYS 5 0.376 -0.217 -9.994 31 HE2 LYS 5 HE2 LYS 5 2.282 -0.397 -8.424 32 HE3 LYS 5 HE3 LYS 5 3.360 0.267 -9.671 33 HZ1 LYS 5 HZ1 LYS 5 1.020 1.678 -8.502 34 HZ2 LYS 5 HZ2 LYS 5 2.038 2.303 -9.634 35 HZ3 LYS 5 HZ3 LYS 5 2.603 1.977 -8.117 36 H ALA 6 H ALA 6 -1.945 -0.721 -13.329 37 HA ALA 6 HA ALA 6 -3.465 -2.802 -14.620 38 HB1 ALA 6 HB1 ALA 6 -4.311 -0.450 -14.377 39 HB2 ALA 6 HB2 ALA 6 -3.025 0.099 -15.480 40 HB3 ALA 6 HB3 ALA 6 -4.293 -0.999 -16.071 41 HA PRO 7 HA PRO 7 -0.484 -3.666 -17.813 42 HB2 PRO 7 HB2 PRO 7 -2.004 -4.833 -19.716 43 HB3 PRO 7 HB3 PRO 7 -1.771 -5.619 -18.134 44 HG2 PRO 7 HG2 PRO 7 -4.045 -3.921 -19.076 45 HG3 PRO 7 HG3 PRO 7 -4.087 -5.545 -18.315 46 HD2 PRO 7 HD2 PRO 7 -4.464 -3.236 -16.906 47 HD3 PRO 7 HD3 PRO 7 -3.668 -4.674 -16.189 48 H GLU 8 H GLU 8 -0.369 -3.357 -20.350 49 HA GLU 8 HA GLU 8 -0.651 -0.570 -20.929 50 HB2 GLU 8 HB2 GLU 8 0.371 -3.032 -22.188 51 HB3 GLU 8 HB3 GLU 8 -0.343 -1.923 -23.361 52 HG2 GLU 8 HG2 GLU 8 1.638 -0.923 -21.325 53 HG3 GLU 8 HG3 GLU 8 2.177 -1.751 -22.800 54 H SER 9 H SER 9 -1.947 0.441 -22.575 55 HA SER 9 HA SER 9 -4.436 -1.083 -23.227 56 HB2 SER 9 HB2 SER 9 -4.967 0.383 -21.367 57 HB3 SER 9 HB3 SER 9 -4.143 1.731 -22.157 58 HG SER 9 HG SER 9 -6.096 2.146 -22.779 59 H ALA 10 H ALA 10 -5.408 -0.604 -25.153 60 HA ALA 10 HA ALA 10 -3.700 0.491 -27.227 61 HB1 ALA 10 HB1 ALA 10 -5.112 -1.471 -27.692 62 HB2 ALA 10 HB2 ALA 10 -6.564 -0.512 -27.286 63 HB3 ALA 10 HB3 ALA 10 -5.594 -0.088 -28.713 64 H THR 11 H THR 11 -6.333 1.690 -25.241 65 HA THR 11 HA THR 11 -7.493 3.520 -26.978 66 HB THR 11 HB THR 11 -7.020 4.038 -24.010 67 HG1 THR 11 HG1 THR 11 -8.656 2.590 -23.612 68 HG21 THR 11 HG21 THR 11 -9.392 4.627 -25.848 69 HG22 THR 11 HG22 THR 11 -8.187 5.804 -25.276 70 HG23 THR 11 HG23 THR 11 -9.267 5.015 -24.114 71 H GLU 12 H GLU 12 -4.695 4.106 -24.778 72 HA GLU 12 HA GLU 12 -4.377 6.863 -25.329 73 HB2 GLU 12 HB2 GLU 12 -2.350 4.654 -24.707 74 HB3 GLU 12 HB3 GLU 12 -1.954 6.373 -24.776 75 HG2 GLU 12 HG2 GLU 12 -2.279 6.136 -22.532 76 HG3 GLU 12 HG3 GLU 12 -3.874 6.667 -23.038 77 H LYS 13 H LYS 13 -3.284 4.015 -27.129 78 HA LYS 13 HA LYS 13 -1.509 5.499 -28.884 79 HB2 LYS 13 HB2 LYS 13 -2.746 2.725 -29.186 80 HB3 LYS 13 HB3 LYS 13 -1.341 3.338 -30.088 81 HG2 LYS 13 HG2 LYS 13 -0.082 3.556 -27.993 82 HG3 LYS 13 HG3 LYS 13 -1.494 3.046 -27.069 83 HD2 LYS 13 HD2 LYS 13 -1.441 0.859 -28.205 84 HD3 LYS 13 HD3 LYS 13 0.098 1.371 -28.976 85 HE2 LYS 13 HE2 LYS 13 1.055 1.779 -26.737 86 HE3 LYS 13 HE3 LYS 13 -0.447 1.273 -25.986 87 HZ1 LYS 13 HZ1 LYS 13 1.117 -0.475 -26.017 88 HZ2 LYS 13 HZ2 LYS 13 1.312 -0.404 -27.640 89 HZ3 LYS 13 HZ3 LYS 13 -0.132 -0.900 -26.998 90 H VAL 14 H VAL 14 -4.891 4.426 -29.047 91 HA VAL 14 HA VAL 14 -5.261 5.075 -31.835 92 HB VAL 14 HB VAL 14 -7.251 4.966 -29.495 93 HG11 VAL 14 HG11 VAL 14 -8.211 6.327 -31.255 94 HG12 VAL 14 HG12 VAL 14 -7.763 5.116 -32.482 95 HG13 VAL 14 HG13 VAL 14 -8.989 4.717 -31.253 96 HG21 VAL 14 HG21 VAL 14 -6.690 2.964 -31.734 97 HG22 VAL 14 HG22 VAL 14 -6.131 2.781 -30.045 98 HG23 VAL 14 HG23 VAL 14 -7.874 2.777 -30.421 99 H LEU 15 H LEU 15 -5.739 6.768 -28.724 100 HA LEU 15 HA LEU 15 -6.746 9.194 -29.876 101 HB2 LEU 15 HB2 LEU 15 -5.321 8.586 -27.288 102 HB3 LEU 15 HB3 LEU 15 -6.009 10.154 -27.665 103 HG LEU 15 HG LEU 15 -7.652 7.598 -27.642 104 HD11 LEU 15 HD11 LEU 15 -8.247 8.168 -25.331 105 HD12 LEU 15 HD12 LEU 15 -7.064 9.519 -25.371 106 HD13 LEU 15 HD13 LEU 15 -6.502 7.824 -25.527 107 HD21 LEU 15 HD21 LEU 15 -8.404 10.550 -27.336 108 HD22 LEU 15 HD22 LEU 15 -9.529 9.171 -27.223 109 HD23 LEU 15 HD23 LEU 15 -8.723 9.521 -28.756 110 H CYS 16 H CYS 16 -3.416 8.170 -28.997 111 HA CYS 16 HA CYS 16 -2.147 10.644 -29.615 112 HB2 CYS 16 HB2 CYS 16 -1.232 7.762 -29.899 113 HB3 CYS 16 HB3 CYS 16 -0.197 9.112 -30.295 114 HG CYS 16 HG CYS 16 -0.107 10.226 -28.030 115 H ALA 17 H ALA 17 -2.993 7.890 -31.822 116 HA ALA 17 HA ALA 17 -1.881 9.273 -34.088 117 HB1 ALA 17 HB1 ALA 17 -3.075 7.570 -35.449 118 HB2 ALA 17 HB2 ALA 17 -2.213 6.816 -34.083 119 HB3 ALA 17 HB3 ALA 17 -3.966 7.039 -33.996 120 H LEU 18 H LEU 18 -5.161 9.138 -32.695 121 HA LEU 18 HA LEU 18 -6.430 10.561 -34.778 122 HB2 LEU 18 HB2 LEU 18 -7.036 9.563 -32.156 123 HB3 LEU 18 HB3 LEU 18 -7.543 11.243 -32.225 124 HG LEU 18 HG LEU 18 -8.984 10.810 -34.141 125 HD11 LEU 18 HD11 LEU 18 -7.920 7.944 -33.989 126 HD12 LEU 18 HD12 LEU 18 -7.739 9.089 -35.348 127 HD13 LEU 18 HD13 LEU 18 -9.344 8.454 -34.928 128 HD21 LEU 18 HD21 LEU 18 -9.857 10.459 -31.898 129 HD22 LEU 18 HD22 LEU 18 -9.270 8.781 -31.908 130 HD23 LEU 18 HD23 LEU 18 -10.562 9.264 -33.006 131 H TYR 19 H TYR 19 -4.526 11.759 -32.023 132 HA TYR 19 HA TYR 19 -5.303 14.542 -32.347 133 HB2 TYR 19 HB2 TYR 19 -2.943 13.011 -31.261 134 HB3 TYR 19 HB3 TYR 19 -2.732 14.736 -31.554 135 HD1 TYR 19 HD1 TYR 19 -5.763 13.018 -30.093 136 HD2 TYR 19 HD2 TYR 19 -2.372 15.582 -29.401 137 HE1 TYR 19 HE1 TYR 19 -6.636 13.579 -27.849 138 HE2 TYR 19 HE2 TYR 19 -3.264 16.143 -27.137 139 HH TYR 19 HH TYR 19 -4.932 15.879 -25.673 140 H ALA 20 H ALA 20 -2.723 12.454 -33.859 141 HA ALA 20 HA ALA 20 -1.609 14.605 -35.318 142 HB1 ALA 20 HB1 ALA 20 -0.569 12.830 -36.695 143 HB2 ALA 20 HB2 ALA 20 -0.536 12.328 -34.997 144 HB3 ALA 20 HB3 ALA 20 -1.744 11.627 -36.097 145 H GLU 21 H GLU 21 -4.249 12.354 -36.130 146 HA GLU 21 HA GLU 21 -4.509 13.141 -38.874 147 HB2 GLU 21 HB2 GLU 21 -6.552 12.057 -36.882 148 HB3 GLU 21 HB3 GLU 21 -6.870 12.217 -38.588 149 HG2 GLU 21 HG2 GLU 21 -4.640 10.520 -37.410 150 HG3 GLU 21 HG3 GLU 21 -6.242 9.908 -37.846 151 H ILE 22 H ILE 22 -5.732 14.543 -35.906 152 HA ILE 22 HA ILE 22 -7.579 16.322 -37.336 153 HB ILE 22 HB ILE 22 -6.939 15.888 -34.418 154 HG12 ILE 22 HG12 ILE 22 -8.099 14.048 -35.621 155 HG13 ILE 22 HG13 ILE 22 -9.126 14.706 -34.347 156 HG21 ILE 22 HG21 ILE 22 -8.983 17.736 -35.735 157 HG22 ILE 22 HG22 ILE 22 -9.129 17.199 -34.050 158 HG23 ILE 22 HG23 ILE 22 -7.726 18.173 -34.560 159 HD11 ILE 22 HD11 ILE 22 -10.455 14.233 -36.311 160 HD12 ILE 22 HD12 ILE 22 -10.459 15.953 -36.027 161 HD13 ILE 22 HD13 ILE 22 -9.374 15.227 -37.290 162 H LEU 23 H LEU 23 -4.569 16.569 -35.500 163 HA LEU 23 HA LEU 23 -4.618 19.513 -35.753 164 HB2 LEU 23 HB2 LEU 23 -2.583 17.604 -34.549 165 HB3 LEU 23 HB3 LEU 23 -2.479 19.362 -34.508 166 HG LEU 23 HG LEU 23 -4.925 18.024 -33.362 167 HD11 LEU 23 HD11 LEU 23 -3.803 17.865 -31.196 168 HD12 LEU 23 HD12 LEU 23 -2.279 18.347 -31.956 169 HD13 LEU 23 HD13 LEU 23 -3.025 16.811 -32.413 170 HD21 LEU 23 HD21 LEU 23 -4.866 19.973 -31.881 171 HD22 LEU 23 HD22 LEU 23 -4.812 20.466 -33.586 172 HD23 LEU 23 HD23 LEU 23 -3.327 20.500 -32.619 173 H GLY 24 H GLY 24 -3.247 16.792 -37.489 174 HA2 GLY 24 HA2 GLY 24 -2.136 16.885 -39.522 175 HA3 GLY 24 HA3 GLY 24 -2.157 18.663 -39.448 176 H VAL 25 H VAL 25 -0.812 16.739 -36.811 177 HA VAL 25 HA VAL 25 1.840 17.939 -37.469 178 HB VAL 25 HB VAL 25 2.420 17.555 -35.082 179 HG11 VAL 25 HG11 VAL 25 -0.175 19.156 -35.482 180 HG12 VAL 25 HG12 VAL 25 0.997 19.338 -34.140 181 HG13 VAL 25 HG13 VAL 25 1.476 19.727 -35.791 182 HG21 VAL 25 HG21 VAL 25 -0.485 16.692 -34.744 183 HG22 VAL 25 HG22 VAL 25 0.924 15.625 -34.665 184 HG23 VAL 25 HG23 VAL 25 0.732 16.886 -33.460 185 H GLU 26 H GLU 26 3.773 16.735 -37.235 186 HA GLU 26 HA GLU 26 3.619 14.183 -38.522 187 HB2 GLU 26 HB2 GLU 26 5.873 15.597 -37.038 188 HB3 GLU 26 HB3 GLU 26 6.094 14.153 -38.037 189 HG2 GLU 26 HG2 GLU 26 5.264 15.425 -40.022 190 HG3 GLU 26 HG3 GLU 26 5.135 16.837 -38.947 191 H ARG 27 H ARG 27 3.863 15.085 -35.086 192 HA ARG 27 HA ARG 27 3.993 12.169 -34.371 193 HB2 ARG 27 HB2 ARG 27 6.292 13.006 -34.605 194 HB3 ARG 27 HB3 ARG 27 5.935 14.256 -33.348 195 HG2 ARG 27 HG2 ARG 27 5.518 12.450 -31.742 196 HG3 ARG 27 HG3 ARG 27 5.938 11.242 -32.994 197 HD2 ARG 27 HD2 ARG 27 8.171 12.206 -33.186 198 HD3 ARG 27 HD3 ARG 27 7.764 13.400 -31.933 199 HE ARG 27 HE ARG 27 7.232 10.833 -30.913 200 HH11 ARG 27 HH11 ARG 27 10.010 12.845 -31.774 201 HH12 ARG 27 HH12 ARG 27 11.058 12.033 -30.647 202 HH21 ARG 27 HH21 ARG 27 8.640 9.836 -29.519 203 HH22 ARG 27 HH22 ARG 27 10.296 10.379 -29.385 204 H VAL 28 H VAL 28 3.234 11.748 -32.318 205 HA VAL 28 HA VAL 28 2.306 14.091 -30.687 206 HB VAL 28 HB VAL 28 0.549 11.562 -31.098 207 HG11 VAL 28 HG11 VAL 28 0.297 12.755 -28.966 208 HG12 VAL 28 HG12 VAL 28 -0.095 14.237 -29.890 209 HG13 VAL 28 HG13 VAL 28 -1.127 12.820 -30.013 210 HG21 VAL 28 HG21 VAL 28 -0.900 13.115 -32.474 211 HG22 VAL 28 HG22 VAL 28 0.378 14.354 -32.413 212 HG23 VAL 28 HG23 VAL 28 0.661 12.791 -33.216 213 H GLY 29 H GLY 29 2.966 13.694 -28.555 214 HA2 GLY 29 HA2 GLY 29 3.980 11.011 -27.791 215 HA3 GLY 29 HA3 GLY 29 4.251 12.501 -26.956 216 H VAL 30 H VAL 30 3.451 10.498 -25.308 217 HA VAL 30 HA VAL 30 0.563 10.165 -25.308 218 HB VAL 30 HB VAL 30 1.025 9.107 -23.008 219 HG11 VAL 30 HG11 VAL 30 0.575 7.733 -24.934 220 HG12 VAL 30 HG12 VAL 30 2.221 7.951 -25.562 221 HG13 VAL 30 HG13 VAL 30 1.955 7.029 -24.068 222 HG21 VAL 30 HG21 VAL 30 3.295 8.420 -22.506 223 HG22 VAL 30 HG22 VAL 30 3.917 9.188 -23.988 224 HG23 VAL 30 HG23 VAL 30 3.263 10.178 -22.669 225 H ASP 31 H ASP 31 2.773 12.410 -23.972 226 HA ASP 31 HA ASP 31 0.682 13.518 -22.186 227 HB2 ASP 31 HB2 ASP 31 3.685 13.675 -22.172 228 HB3 ASP 31 HB3 ASP 31 2.682 14.593 -21.178 229 H ASP 32 H ASP 32 1.132 13.895 -25.259 230 HA ASP 32 HA ASP 32 2.176 16.557 -25.453 231 HB2 ASP 32 HB2 ASP 32 1.536 14.449 -27.254 232 HB3 ASP 32 HB3 ASP 32 0.553 15.831 -27.707 233 H ALA 33 H ALA 33 1.149 18.398 -25.095 234 HA ALA 33 HA ALA 33 -1.669 18.299 -24.361 235 HB1 ALA 33 HB1 ALA 33 -0.191 19.811 -23.163 236 HB2 ALA 33 HB2 ALA 33 0.297 20.617 -24.671 237 HB3 ALA 33 HB3 ALA 33 -1.359 20.781 -24.063 238 H PHE 34 H PHE 34 -3.362 18.566 -25.672 239 HA PHE 34 HA PHE 34 -3.186 18.609 -28.447 240 HB2 PHE 34 HB2 PHE 34 -5.166 17.953 -27.094 241 HB3 PHE 34 HB3 PHE 34 -5.465 19.604 -26.713 242 HD1 PHE 34 HD1 PHE 34 -5.474 17.051 -29.394 243 HD2 PHE 34 HD2 PHE 34 -6.535 21.079 -28.325 244 HE1 PHE 34 HE1 PHE 34 -6.886 17.207 -31.428 245 HE2 PHE 34 HE2 PHE 34 -7.983 21.221 -30.362 246 HZ PHE 34 HZ PHE 34 -8.122 19.273 -31.923 247 H HIS 35 H HIS 35 -3.416 21.406 -26.164 248 HA HIS 35 HA HIS 35 -3.779 23.315 -28.356 249 HB2 HIS 35 HB2 HIS 35 -3.503 24.991 -26.536 250 HB3 HIS 35 HB3 HIS 35 -4.832 23.860 -26.340 251 HD1 HIS 35 HD1 HIS 35 -4.965 22.688 -24.123 252 HD2 HIS 35 HD2 HIS 35 -1.181 24.267 -24.854 253 HE1 HIS 35 HE1 HIS 35 -3.586 22.332 -22.023 254 H ASP 36 H ASP 36 -0.977 21.879 -26.804 255 HA ASP 36 HA ASP 36 0.833 24.105 -27.398 256 HB2 ASP 36 HB2 ASP 36 1.159 22.292 -25.655 257 HB3 ASP 36 HB3 ASP 36 1.533 21.164 -26.970 258 H LEU 37 H LEU 37 -0.334 21.160 -28.885 259 HA LEU 37 HA LEU 37 1.396 21.291 -31.209 260 HB2 LEU 37 HB2 LEU 37 -1.154 19.724 -30.672 261 HB3 LEU 37 HB3 LEU 37 -0.059 19.446 -32.009 262 HG LEU 37 HG LEU 37 0.719 18.999 -29.117 263 HD11 LEU 37 HD11 LEU 37 0.504 16.633 -29.670 264 HD12 LEU 37 HD12 LEU 37 -0.291 17.085 -31.200 265 HD13 LEU 37 HD13 LEU 37 -1.039 17.506 -29.638 266 HD21 LEU 37 HD21 LEU 37 2.648 19.342 -30.662 267 HD22 LEU 37 HD22 LEU 37 2.013 18.165 -31.738 268 HD23 LEU 37 HD23 LEU 37 2.563 17.719 -30.159 269 H GLY 38 H GLY 38 -0.478 23.648 -30.571 270 HA2 GLY 38 HA2 GLY 38 -1.468 25.199 -31.978 271 HA3 GLY 38 HA3 GLY 38 -1.309 24.089 -33.333 272 H GLY 39 H GLY 39 -2.968 23.187 -30.371 273 HA2 GLY 39 HA2 GLY 39 -5.302 22.414 -31.808 274 HA3 GLY 39 HA3 GLY 39 -5.142 22.464 -30.065 275 H SER 40 H SER 40 -7.452 23.013 -31.532 276 HA SER 40 HA SER 40 -7.981 25.777 -30.619 277 HB2 SER 40 HB2 SER 40 -7.486 26.018 -33.035 278 HB3 SER 40 HB3 SER 40 -8.592 24.664 -33.393 279 HG SER 40 HG SER 40 -9.200 27.208 -33.299 280 H SER 41 H SER 41 -10.306 26.127 -30.293 281 HA SER 41 HA SER 41 -11.678 23.861 -29.195 282 HB2 SER 41 HB2 SER 41 -13.652 25.508 -29.307 283 HB3 SER 41 HB3 SER 41 -12.236 26.037 -28.371 284 HG SER 41 HG SER 41 -12.835 27.709 -29.723 285 H ALA 42 H ALA 42 -11.584 25.476 -32.314 286 HA ALA 42 HA ALA 42 -13.876 24.219 -33.513 287 HB1 ALA 42 HB1 ALA 42 -12.744 26.246 -34.447 288 HB2 ALA 42 HB2 ALA 42 -11.301 25.266 -34.810 289 HB3 ALA 42 HB3 ALA 42 -12.839 24.931 -35.646 290 H LEU 43 H LEU 43 -10.548 23.151 -32.946 291 HA LEU 43 HA LEU 43 -10.880 20.812 -34.734 292 HB2 LEU 43 HB2 LEU 43 -8.621 21.657 -32.912 293 HB3 LEU 43 HB3 LEU 43 -8.594 20.235 -33.928 294 HG LEU 43 HG LEU 43 -8.805 23.078 -34.969 295 HD11 LEU 43 HD11 LEU 43 -6.440 21.187 -34.852 296 HD12 LEU 43 HD12 LEU 43 -6.659 22.619 -33.829 297 HD13 LEU 43 HD13 LEU 43 -6.429 22.797 -35.593 298 HD21 LEU 43 HD21 LEU 43 -8.364 20.388 -36.350 299 HD22 LEU 43 HD22 LEU 43 -8.184 21.963 -37.153 300 HD23 LEU 43 HD23 LEU 43 -9.769 21.462 -36.546 301 H ALA 44 H ALA 44 -11.021 21.636 -31.308 302 HA ALA 44 HA ALA 44 -10.744 19.061 -30.217 303 HB1 ALA 44 HB1 ALA 44 -12.480 21.379 -29.284 304 HB2 ALA 44 HB2 ALA 44 -12.032 19.965 -28.297 305 HB3 ALA 44 HB3 ALA 44 -10.772 21.097 -28.860 306 H MET 45 H MET 45 -13.653 20.731 -31.495 307 HA MET 45 HA MET 45 -15.420 18.568 -30.819 308 HB2 MET 45 HB2 MET 45 -17.083 19.717 -32.058 309 HB3 MET 45 HB3 MET 45 -16.069 20.903 -31.250 310 HG2 MET 45 HG2 MET 45 -14.879 21.340 -33.381 311 HG3 MET 45 HG3 MET 45 -15.946 20.187 -34.196 312 HE1 MET 45 HE1 MET 45 -18.904 20.766 -32.999 313 HE2 MET 45 HE2 MET 45 -19.421 21.947 -34.225 314 HE3 MET 45 HE3 MET 45 -18.448 20.541 -34.707 315 H ARG 46 H ARG 46 -13.297 19.140 -33.567 316 HA ARG 46 HA ARG 46 -14.514 17.117 -35.280 317 HB2 ARG 46 HB2 ARG 46 -11.778 18.349 -35.343 318 HB3 ARG 46 HB3 ARG 46 -12.467 17.263 -36.554 319 HG2 ARG 46 HG2 ARG 46 -14.225 18.811 -37.100 320 HG3 ARG 46 HG3 ARG 46 -13.671 19.916 -35.811 321 HD2 ARG 46 HD2 ARG 46 -11.429 19.714 -36.907 322 HD3 ARG 46 HD3 ARG 46 -12.278 19.146 -38.345 323 HE ARG 46 HE ARG 46 -13.479 21.549 -37.310 324 HH11 ARG 46 HH11 ARG 46 -10.641 20.519 -39.132 325 HH12 ARG 46 HH12 ARG 46 -10.431 22.089 -39.879 326 HH21 ARG 46 HH21 ARG 46 -13.217 23.480 -38.349 327 HH22 ARG 46 HH22 ARG 46 -11.890 23.730 -39.455 328 H LEU 47 H LEU 47 -12.106 17.272 -32.763 329 HA LEU 47 HA LEU 47 -10.968 14.641 -33.278 330 HB2 LEU 47 HB2 LEU 47 -9.835 16.386 -31.902 331 HB3 LEU 47 HB3 LEU 47 -11.103 16.278 -30.719 332 HG LEU 47 HG LEU 47 -10.436 13.880 -30.305 333 HD11 LEU 47 HD11 LEU 47 -8.110 13.243 -30.996 334 HD12 LEU 47 HD12 LEU 47 -8.073 14.658 -32.095 335 HD13 LEU 47 HD13 LEU 47 -9.256 13.355 -32.360 336 HD21 LEU 47 HD21 LEU 47 -9.774 15.827 -28.909 337 HD22 LEU 47 HD22 LEU 47 -8.250 15.940 -29.842 338 HD23 LEU 47 HD23 LEU 47 -8.599 14.481 -28.881 339 H ILE 48 H ILE 48 -13.495 15.899 -31.069 340 HA ILE 48 HA ILE 48 -14.169 13.386 -29.895 341 HB ILE 48 HB ILE 48 -15.797 15.935 -30.329 342 HG12 ILE 48 HG12 ILE 48 -14.653 14.892 -27.729 343 HG13 ILE 48 HG13 ILE 48 -13.640 15.809 -28.850 344 HG21 ILE 48 HG21 ILE 48 -17.412 14.099 -30.049 345 HG22 ILE 48 HG22 ILE 48 -16.477 13.458 -28.671 346 HG23 ILE 48 HG23 ILE 48 -17.321 15.002 -28.521 347 HD11 ILE 48 HD11 ILE 48 -14.520 17.266 -27.157 348 HD12 ILE 48 HD12 ILE 48 -15.199 17.700 -28.733 349 HD13 ILE 48 HD13 ILE 48 -16.194 16.788 -27.565 350 H ALA 49 H ALA 49 -15.274 14.976 -32.870 351 HA ALA 49 HA ALA 49 -17.335 13.078 -33.475 352 HB1 ALA 49 HB1 ALA 49 -17.082 15.273 -34.640 353 HB2 ALA 49 HB2 ALA 49 -15.581 14.679 -35.404 354 HB3 ALA 49 HB3 ALA 49 -17.132 13.908 -35.789 355 H ARG 50 H ARG 50 -13.815 13.151 -34.228 356 HA ARG 50 HA ARG 50 -13.820 10.714 -35.735 357 HB2 ARG 50 HB2 ARG 50 -12.135 12.641 -35.649 358 HB3 ARG 50 HB3 ARG 50 -11.466 11.759 -34.232 359 HG2 ARG 50 HG2 ARG 50 -10.212 10.917 -36.009 360 HG3 ARG 50 HG3 ARG 50 -11.471 9.665 -35.807 361 HD2 ARG 50 HD2 ARG 50 -12.758 10.736 -37.602 362 HD3 ARG 50 HD3 ARG 50 -11.476 11.946 -37.769 363 HE ARG 50 HE ARG 50 -10.468 9.248 -38.003 364 HH11 ARG 50 HH11 ARG 50 -12.091 11.816 -39.840 365 HH12 ARG 50 HH12 ARG 50 -11.535 11.189 -41.357 366 HH21 ARG 50 HH21 ARG 50 -9.755 8.561 -39.967 367 HH22 ARG 50 HH22 ARG 50 -10.226 9.371 -41.423 368 H ILE 51 H ILE 51 -13.419 11.393 -32.232 369 HA ILE 51 HA ILE 51 -12.635 8.697 -31.349 370 HB ILE 51 HB ILE 51 -14.282 10.862 -29.819 371 HG12 ILE 51 HG12 ILE 51 -11.334 10.091 -29.597 372 HG13 ILE 51 HG13 ILE 51 -11.879 11.435 -30.542 373 HG21 ILE 51 HG21 ILE 51 -13.525 9.491 -27.845 374 HG22 ILE 51 HG22 ILE 51 -14.807 8.768 -28.857 375 HG23 ILE 51 HG23 ILE 51 -13.133 8.229 -29.011 376 HD11 ILE 51 HD11 ILE 51 -13.023 12.270 -28.317 377 HD12 ILE 51 HD12 ILE 51 -11.944 11.108 -27.518 378 HD13 ILE 51 HD13 ILE 51 -11.280 12.451 -28.477 379 H ARG 52 H ARG 52 -15.877 10.028 -32.247 380 HA ARG 52 HA ARG 52 -17.276 7.812 -31.172 381 HB2 ARG 52 HB2 ARG 52 -17.971 9.425 -33.641 382 HB3 ARG 52 HB3 ARG 52 -19.004 8.319 -32.764 383 HG2 ARG 52 HG2 ARG 52 -18.840 9.702 -30.734 384 HG3 ARG 52 HG3 ARG 52 -17.995 10.946 -31.688 385 HD2 ARG 52 HD2 ARG 52 -19.825 10.963 -33.276 386 HD3 ARG 52 HD3 ARG 52 -20.696 9.748 -32.331 387 HE ARG 52 HE ARG 52 -20.077 11.978 -30.641 388 HH11 ARG 52 HH11 ARG 52 -22.240 11.164 -33.319 389 HH12 ARG 52 HH12 ARG 52 -23.450 12.317 -32.812 390 HH21 ARG 52 HH21 ARG 52 -21.643 13.405 -30.057 391 HH22 ARG 52 HH22 ARG 52 -23.104 13.583 -31.016 392 H GLU 53 H GLU 53 -15.398 8.054 -34.139 393 HA GLU 53 HA GLU 53 -16.723 5.740 -35.376 394 HB2 GLU 53 HB2 GLU 53 -14.035 6.993 -36.044 395 HB3 GLU 53 HB3 GLU 53 -14.986 5.951 -37.092 396 HG2 GLU 53 HG2 GLU 53 -15.700 8.819 -36.202 397 HG3 GLU 53 HG3 GLU 53 -15.076 8.312 -37.731 398 H GLU 54 H GLU 54 -13.747 6.557 -33.573 399 HA GLU 54 HA GLU 54 -12.487 3.984 -34.030 400 HB2 GLU 54 HB2 GLU 54 -11.870 6.438 -32.374 401 HB3 GLU 54 HB3 GLU 54 -10.848 5.016 -32.309 402 HG2 GLU 54 HG2 GLU 54 -11.458 6.709 -34.770 403 HG3 GLU 54 HG3 GLU 54 -9.958 6.669 -33.844 404 H LEU 55 H LEU 55 -13.710 5.708 -31.118 405 HA LEU 55 HA LEU 55 -13.364 3.176 -29.577 406 HB2 LEU 55 HB2 LEU 55 -14.097 5.966 -28.675 407 HB3 LEU 55 HB3 LEU 55 -13.640 4.599 -27.612 408 HG LEU 55 HG LEU 55 -11.815 6.232 -29.414 409 HD11 LEU 55 HD11 LEU 55 -12.450 7.139 -27.196 410 HD12 LEU 55 HD12 LEU 55 -10.702 6.772 -27.331 411 HD13 LEU 55 HD13 LEU 55 -11.770 5.662 -26.436 412 HD21 LEU 55 HD21 LEU 55 -9.908 4.800 -28.594 413 HD22 LEU 55 HD22 LEU 55 -11.031 3.865 -29.606 414 HD23 LEU 55 HD23 LEU 55 -11.077 3.704 -27.848 415 H GLY 56 H GLY 56 -15.730 4.793 -31.332 416 HA2 GLY 56 HA2 GLY 56 -17.947 4.172 -31.572 417 HA3 GLY 56 HA3 GLY 56 -17.708 2.916 -30.368 418 H VAL 57 H VAL 57 -16.993 6.160 -29.396 419 HA VAL 57 HA VAL 57 -19.625 6.318 -28.025 420 HB VAL 57 HB VAL 57 -18.495 6.925 -25.866 421 HG11 VAL 57 HG11 VAL 57 -17.711 4.159 -26.864 422 HG12 VAL 57 HG12 VAL 57 -17.921 4.648 -25.182 423 HG13 VAL 57 HG13 VAL 57 -19.323 4.605 -26.282 424 HG21 VAL 57 HG21 VAL 57 -15.944 5.908 -27.190 425 HG22 VAL 57 HG22 VAL 57 -16.278 7.611 -26.767 426 HG23 VAL 57 HG23 VAL 57 -16.132 6.385 -25.487 427 H ASP 58 H ASP 58 -20.229 8.376 -27.302 428 HA ASP 58 HA ASP 58 -18.957 10.619 -28.769 429 HB2 ASP 58 HB2 ASP 58 -21.485 10.330 -28.524 430 HB3 ASP 58 HB3 ASP 58 -21.290 10.679 -26.806 431 H LEU 59 H LEU 59 -17.008 11.067 -27.842 432 HA LEU 59 HA LEU 59 -16.608 10.806 -25.021 433 HB2 LEU 59 HB2 LEU 59 -14.962 10.628 -26.920 434 HB3 LEU 59 HB3 LEU 59 -14.842 12.374 -26.892 435 HG LEU 59 HG LEU 59 -12.981 11.153 -25.789 436 HD11 LEU 59 HD11 LEU 59 -12.704 12.574 -23.910 437 HD12 LEU 59 HD12 LEU 59 -14.451 12.849 -23.776 438 HD13 LEU 59 HD13 LEU 59 -13.549 13.499 -25.176 439 HD21 LEU 59 HD21 LEU 59 -14.191 9.286 -24.854 440 HD22 LEU 59 HD22 LEU 59 -14.969 10.380 -23.665 441 HD23 LEU 59 HD23 LEU 59 -13.201 10.128 -23.640 442 HA PRO 60 HA PRO 60 -18.456 14.698 -23.922 443 HB2 PRO 60 HB2 PRO 60 -16.946 14.200 -21.342 444 HB3 PRO 60 HB3 PRO 60 -18.682 14.577 -21.558 445 HG2 PRO 60 HG2 PRO 60 -17.948 12.120 -20.958 446 HG3 PRO 60 HG3 PRO 60 -19.176 12.394 -22.220 447 HD2 PRO 60 HD2 PRO 60 -16.214 11.798 -22.566 448 HD3 PRO 60 HD3 PRO 60 -17.661 11.046 -23.344 449 H ILE 61 H ILE 61 -17.640 16.727 -24.348 450 HA ILE 61 HA ILE 61 -14.843 17.153 -24.684 451 HB ILE 61 HB ILE 61 -16.740 18.458 -25.751 452 HG12 ILE 61 HG12 ILE 61 -14.647 20.261 -24.490 453 HG13 ILE 61 HG13 ILE 61 -14.231 19.034 -25.710 454 HG21 ILE 61 HG21 ILE 61 -17.659 20.443 -24.627 455 HG22 ILE 61 HG22 ILE 61 -18.048 19.003 -23.665 456 HG23 ILE 61 HG23 ILE 61 -16.718 20.094 -23.162 457 HD11 ILE 61 HD11 ILE 61 -16.048 21.472 -26.092 458 HD12 ILE 61 HD12 ILE 61 -14.510 21.127 -26.900 459 HD13 ILE 61 HD13 ILE 61 -15.931 20.152 -27.301 460 H ARG 62 H ARG 62 -16.816 17.278 -21.796 461 HA ARG 62 HA ARG 62 -15.069 18.895 -20.169 462 HB2 ARG 62 HB2 ARG 62 -17.445 18.201 -19.619 463 HB3 ARG 62 HB3 ARG 62 -16.837 16.570 -19.286 464 HG2 ARG 62 HG2 ARG 62 -15.368 17.499 -17.500 465 HG3 ARG 62 HG3 ARG 62 -15.977 19.136 -17.834 466 HD2 ARG 62 HD2 ARG 62 -17.693 16.780 -16.950 467 HD3 ARG 62 HD3 ARG 62 -16.998 17.987 -15.859 468 HE ARG 62 HE ARG 62 -18.434 19.385 -17.863 469 HH11 ARG 62 HH11 ARG 62 -19.129 17.305 -15.090 470 HH12 ARG 62 HH12 ARG 62 -20.706 17.988 -14.841 471 HH21 ARG 62 HH21 ARG 62 -20.481 20.186 -17.517 472 HH22 ARG 62 HH22 ARG 62 -21.473 19.588 -16.234 473 H GLN 63 H GLN 63 -14.972 15.463 -21.163 474 HA GLN 63 HA GLN 63 -12.913 14.693 -19.236 475 HB2 GLN 63 HB2 GLN 63 -14.354 13.455 -21.477 476 HB3 GLN 63 HB3 GLN 63 -12.658 13.009 -21.410 477 HG2 GLN 63 HG2 GLN 63 -13.775 11.365 -20.177 478 HG3 GLN 63 HG3 GLN 63 -13.004 12.423 -18.995 479 HE21 GLN 63 HE21 GLN 63 -14.410 14.034 -17.942 480 HE22 GLN 63 HE22 GLN 63 -16.087 13.640 -17.673 481 H LEU 64 H LEU 64 -13.003 15.877 -22.594 482 HA LEU 64 HA LEU 64 -10.197 15.642 -23.075 483 HB2 LEU 64 HB2 LEU 64 -11.946 15.921 -24.804 484 HB3 LEU 64 HB3 LEU 64 -12.223 17.557 -24.246 485 HG LEU 64 HG LEU 64 -9.906 18.190 -24.941 486 HD11 LEU 64 HD11 LEU 64 -8.787 16.651 -26.573 487 HD12 LEU 64 HD12 LEU 64 -9.879 15.344 -26.001 488 HD13 LEU 64 HD13 LEU 64 -8.721 16.157 -24.855 489 HD21 LEU 64 HD21 LEU 64 -11.830 18.554 -26.345 490 HD22 LEU 64 HD22 LEU 64 -11.704 16.900 -27.054 491 HD23 LEU 64 HD23 LEU 64 -10.399 18.133 -27.327 492 H PHE 65 H PHE 65 -12.195 18.440 -21.966 493 HA PHE 65 HA PHE 65 -9.887 20.173 -21.786 494 HB2 PHE 65 HB2 PHE 65 -12.635 20.330 -20.502 495 HB3 PHE 65 HB3 PHE 65 -11.397 21.587 -20.382 496 HD1 PHE 65 HD2 PHE 65 -10.730 20.558 -23.619 497 HD2 PHE 65 HD1 PHE 65 -13.899 22.450 -21.361 498 HE1 PHE 65 HE2 PHE 65 -11.551 21.638 -25.666 499 HE2 PHE 65 HE1 PHE 65 -14.712 23.533 -23.434 500 HZ PHE 65 HZ PHE 65 -13.540 23.152 -25.605 501 H SER 66 H SER 66 -11.263 17.816 -19.576 502 HA SER 66 HA SER 66 -10.047 18.880 -17.178 503 HB2 SER 66 HB2 SER 66 -11.906 17.235 -17.188 504 HB3 SER 66 HB3 SER 66 -10.805 16.021 -17.883 505 HG SER 66 HG SER 66 -9.628 17.114 -15.767 506 H SER 67 H SER 67 -8.961 16.816 -19.850 507 HA SER 67 HA SER 67 -6.209 16.988 -18.795 508 HB2 SER 67 HB2 SER 67 -7.607 14.357 -19.363 509 HB3 SER 67 HB3 SER 67 -5.883 14.558 -19.008 510 HG SER 67 HG SER 67 -7.257 15.790 -17.115 511 HA PRO 68 HA PRO 68 -6.825 17.381 -23.328 512 HB2 PRO 68 HB2 PRO 68 -5.127 19.477 -23.830 513 HB3 PRO 68 HB3 PRO 68 -6.685 19.716 -22.951 514 HG2 PRO 68 HG2 PRO 68 -3.924 19.322 -21.820 515 HG3 PRO 68 HG3 PRO 68 -5.104 20.642 -21.495 516 HD2 PRO 68 HD2 PRO 68 -4.902 18.496 -19.861 517 HD3 PRO 68 HD3 PRO 68 -6.486 19.272 -20.202 518 H THR 69 H THR 69 -4.811 15.484 -22.052 519 HA THR 69 HA THR 69 -2.781 15.516 -24.261 520 HB THR 69 HB THR 69 -1.352 14.147 -22.740 521 HG1 THR 69 HG1 THR 69 -1.922 14.155 -20.511 522 HG21 THR 69 HG21 THR 69 -1.023 16.610 -22.852 523 HG22 THR 69 HG22 THR 69 -0.575 15.937 -21.286 524 HG23 THR 69 HG23 THR 69 -2.119 16.809 -21.494 525 HA PRO 70 HA PRO 70 -4.984 12.065 -25.365 526 HB2 PRO 70 HB2 PRO 70 -3.280 10.220 -26.474 527 HB3 PRO 70 HB3 PRO 70 -3.651 11.794 -27.239 528 HG2 PRO 70 HG2 PRO 70 -1.339 11.127 -25.508 529 HG3 PRO 70 HG3 PRO 70 -1.384 11.843 -27.169 530 HD2 PRO 70 HD2 PRO 70 -1.159 13.399 -25.002 531 HD3 PRO 70 HD3 PRO 70 -2.212 13.909 -26.371 532 H ALA 71 H ALA 71 -2.130 11.136 -23.317 533 HA ALA 71 HA ALA 71 -3.439 8.693 -22.398 534 HB1 ALA 71 HB1 ALA 71 -1.156 10.345 -21.220 535 HB2 ALA 71 HB2 ALA 71 -1.653 8.716 -20.673 536 HB3 ALA 71 HB3 ALA 71 -1.018 8.945 -22.316 537 H GLY 72 H GLY 72 -3.387 12.091 -21.475 538 HA2 GLY 72 HA2 GLY 72 -4.551 11.759 -18.882 539 HA3 GLY 72 HA3 GLY 72 -4.610 13.218 -19.866 540 H VAL 73 H VAL 73 -5.994 12.315 -22.129 541 HA VAL 73 HA VAL 73 -8.695 12.482 -21.271 542 HB VAL 73 HB VAL 73 -7.555 11.406 -23.911 543 HG11 VAL 73 HG11 VAL 73 -9.823 11.923 -24.828 544 HG12 VAL 73 HG12 VAL 73 -9.805 10.572 -23.667 545 HG13 VAL 73 HG13 VAL 73 -10.372 12.173 -23.155 546 HG21 VAL 73 HG21 VAL 73 -8.767 14.100 -23.203 547 HG22 VAL 73 HG22 VAL 73 -7.050 13.783 -23.472 548 HG23 VAL 73 HG23 VAL 73 -8.179 13.624 -24.817 549 H ALA 74 H ALA 74 -6.637 9.682 -22.058 550 HA ALA 74 HA ALA 74 -8.663 7.707 -21.846 551 HB1 ALA 74 HB1 ALA 74 -6.398 7.335 -22.831 552 HB2 ALA 74 HB2 ALA 74 -5.661 7.452 -21.230 553 HB3 ALA 74 HB3 ALA 74 -6.773 6.101 -21.607 554 H ARG 75 H ARG 75 -6.492 9.087 -19.290 555 HA ARG 75 HA ARG 75 -7.483 7.359 -17.232 556 HB2 ARG 75 HB2 ARG 75 -6.181 10.113 -17.091 557 HB3 ARG 75 HB3 ARG 75 -6.480 9.048 -15.741 558 HG2 ARG 75 HG2 ARG 75 -5.099 7.286 -16.904 559 HG3 ARG 75 HG3 ARG 75 -4.538 8.594 -17.951 560 HD2 ARG 75 HD2 ARG 75 -4.360 8.520 -14.921 561 HD3 ARG 75 HD3 ARG 75 -3.028 8.199 -16.034 562 HE ARG 75 HE ARG 75 -4.057 10.747 -16.681 563 HH11 ARG 75 HH11 ARG 75 -2.366 9.245 -13.965 564 HH12 ARG 75 HH12 ARG 75 -1.668 10.761 -13.444 565 HH21 ARG 75 HH21 ARG 75 -3.111 12.635 -15.957 566 HH22 ARG 75 HH22 ARG 75 -2.066 12.633 -14.571 567 H ALA 76 H ALA 76 -8.396 10.590 -18.412 568 HA ALA 76 HA ALA 76 -10.220 11.204 -16.308 569 HB1 ALA 76 HB1 ALA 76 -10.204 12.200 -19.185 570 HB2 ALA 76 HB2 ALA 76 -10.997 12.984 -17.788 571 HB3 ALA 76 HB3 ALA 76 -9.226 12.864 -17.852 572 H LEU 77 H LEU 77 -10.697 9.463 -19.406 573 HA LEU 77 HA LEU 77 -13.571 9.383 -18.920 574 HB2 LEU 77 HB2 LEU 77 -13.755 8.216 -20.976 575 HB3 LEU 77 HB3 LEU 77 -12.595 9.521 -21.181 576 HG LEU 77 HG LEU 77 -10.863 7.552 -20.751 577 HD11 LEU 77 HD11 LEU 77 -11.509 5.470 -21.791 578 HD12 LEU 77 HD12 LEU 77 -13.186 6.096 -22.049 579 HD13 LEU 77 HD13 LEU 77 -12.567 5.791 -20.378 580 HD21 LEU 77 HD21 LEU 77 -10.663 7.287 -23.137 581 HD22 LEU 77 HD22 LEU 77 -11.002 8.987 -22.720 582 HD23 LEU 77 HD23 LEU 77 -12.287 7.954 -23.367 583 H ALA 78 H ALA 78 -10.815 7.197 -18.410 584 HA ALA 78 HA ALA 78 -12.330 4.850 -17.844 585 HB1 ALA 78 HB1 ALA 78 -9.645 5.703 -16.664 586 HB2 ALA 78 HB2 ALA 78 -10.312 4.052 -16.715 587 HB3 ALA 78 HB3 ALA 78 -9.856 4.873 -18.229 588 H ALA 79 H ALA 79 -11.522 7.679 -15.872 589 HA ALA 79 HA ALA 79 -12.190 6.631 -13.324 590 HB1 ALA 79 HB1 ALA 79 -11.021 8.754 -13.672 591 HB2 ALA 79 HB2 ALA 79 -12.458 9.460 -14.407 592 HB3 ALA 79 HB3 ALA 79 -12.504 8.989 -12.680 593 H LYS 80 H LYS 80 -14.281 7.467 -16.014 594 HA LYS 80 HA LYS 80 -16.639 8.087 -14.493 595 HB2 LYS 80 HB2 LYS 80 -16.211 8.480 -16.975 596 HB3 LYS 80 HB3 LYS 80 -16.525 6.757 -17.219 597 HG2 LYS 80 HG2 LYS 80 -18.787 7.125 -16.098 598 HG3 LYS 80 HG3 LYS 80 -18.448 8.848 -16.203 599 HD2 LYS 80 HD2 LYS 80 -18.594 6.921 -18.539 600 HD3 LYS 80 HD3 LYS 80 -19.863 8.064 -18.083 601 HE2 LYS 80 HE2 LYS 80 -17.065 8.777 -19.050 602 HE3 LYS 80 HE3 LYS 80 -18.542 8.903 -20.009 603 HZ1 LYS 80 HZ1 LYS 80 -18.142 10.356 -17.453 604 HZ2 LYS 80 HZ2 LYS 80 -19.321 10.615 -18.597 605 HZ3 LYS 80 HZ3 LYS 80 -17.731 11.023 -18.922 606 H SER 81 H SER 81 -15.375 4.959 -15.807 607 HA SER 81 HA SER 81 -17.788 3.549 -14.951 608 HB2 SER 81 HB2 SER 81 -16.475 1.523 -15.534 609 HB3 SER 81 HB3 SER 81 -16.547 2.691 -16.850 610 HG SER 81 HG SER 81 -14.433 1.749 -16.326 611 H ALA 82 H ALA 82 -14.662 4.358 -13.580 612 HA ALA 82 HA ALA 82 -14.801 2.480 -11.383 613 HB1 ALA 82 HB1 ALA 82 -13.309 5.153 -11.627 614 HB2 ALA 82 HB2 ALA 82 -13.023 3.884 -10.420 615 HB3 ALA 82 HB3 ALA 82 -12.682 3.555 -12.104 616 H SER 83 H SER 83 -16.124 5.694 -11.997 617 HA SER 83 HA SER 83 -16.815 6.055 -9.160 618 HB2 SER 83 HB2 SER 83 -17.385 7.839 -11.550 619 HB3 SER 83 HB3 SER 83 -17.554 8.269 -9.844 620 HG SER 83 HG SER 83 -15.170 7.612 -11.241 621 H TRP 84 H TRP 84 -18.427 4.953 -12.082 622 HA TRP 84 HA TRP 84 -21.014 5.117 -10.594 623 HB2 TRP 84 HB2 TRP 84 -20.622 5.664 -13.567 624 HB3 TRP 84 HB3 TRP 84 -22.132 5.799 -12.646 625 HD1 TRP 84 HD1 TRP 84 -19.115 7.772 -13.649 626 HE1 TRP 84 HE1 TRP 84 -19.097 10.108 -12.626 627 HE3 TRP 84 HE3 TRP 84 -22.912 7.058 -10.291 628 HZ2 TRP 84 HZ2 TRP 84 -20.565 11.502 -10.596 629 HZ3 TRP 84 HZ3 TRP 84 -23.568 8.962 -8.795 630 HH2 TRP 84 HH2 TRP 84 -22.377 11.158 -8.953 631 H SER 85 H SER 85 -22.261 3.343 -10.659 632 HA SER 85 HA SER 85 -21.305 0.923 -11.886 633 HB2 SER 85 HB2 SER 85 -22.801 0.934 -9.881 634 HB3 SER 85 HB3 SER 85 -24.093 1.644 -10.876 635 HG SER 85 HG SER 85 -24.321 -0.611 -10.766 636 H HIS 86 H HIS 86 -21.520 0.354 -13.984 637 HA HIS 86 HA HIS 86 -22.767 2.191 -15.810 638 HB2 HIS 86 HB2 HIS 86 -22.108 0.504 -17.556 639 HB3 HIS 86 HB3 HIS 86 -20.784 1.116 -16.570 640 HD1 HIS 86 HD1 HIS 86 -19.186 -0.670 -15.817 641 HD2 HIS 86 HD2 HIS 86 -23.036 -2.175 -16.352 642 HE1 HIS 86 HE1 HIS 86 -19.063 -3.145 -15.301 643 HA PRO 87 HA PRO 87 -26.758 0.276 -15.567 644 HB2 PRO 87 HB2 PRO 87 -28.117 1.748 -17.349 645 HB3 PRO 87 HB3 PRO 87 -27.500 2.466 -15.828 646 HG2 PRO 87 HG2 PRO 87 -26.259 2.528 -18.580 647 HG3 PRO 87 HG3 PRO 87 -26.616 3.894 -17.462 648 HD2 PRO 87 HD2 PRO 87 -24.164 2.727 -17.604 649 HD3 PRO 87 HD3 PRO 87 -24.845 3.357 -16.059 650 H GLN 88 H GLN 88 -24.698 0.157 -18.300 651 HA GLN 88 HA GLN 88 -26.224 -2.108 -19.473 652 HB2 GLN 88 HB2 GLN 88 -25.905 -1.226 -21.725 653 HB3 GLN 88 HB3 GLN 88 -26.870 -0.094 -20.787 654 HG2 GLN 88 HG2 GLN 88 -24.745 1.235 -20.394 655 HG3 GLN 88 HG3 GLN 88 -23.936 0.185 -21.562 656 HE21 GLN 88 HE21 GLN 88 -23.836 1.018 -23.543 657 HE22 GLN 88 HE22 GLN 88 -24.998 2.120 -24.239 658 H PHE 89 H PHE 89 -24.589 -3.333 -20.846 659 HA PHE 89 HA PHE 89 -22.235 -3.666 -19.224 660 HB2 PHE 89 HB2 PHE 89 -21.670 -5.486 -20.673 661 HB3 PHE 89 HB3 PHE 89 -23.422 -5.526 -20.432 662 HD1 PHE 89 HD1 PHE 89 -24.948 -4.720 -22.302 663 HD2 PHE 89 HD2 PHE 89 -20.703 -5.237 -22.840 664 HE1 PHE 89 HE1 PHE 89 -25.236 -4.728 -24.801 665 HE2 PHE 89 HE2 PHE 89 -20.984 -5.241 -25.304 666 HZ PHE 89 HZ PHE 89 -23.285 -4.996 -26.290 667 H GLU 90 H GLU 90 -20.026 -3.759 -20.125 668 HA GLU 90 HA GLU 90 -19.503 -1.472 -21.966 669 HB2 GLU 90 HB2 GLU 90 -17.519 -0.939 -20.595 670 HB3 GLU 90 HB3 GLU 90 -19.019 -0.818 -19.661 671 HG2 GLU 90 HG2 GLU 90 -18.525 -3.183 -18.804 672 HG3 GLU 90 HG3 GLU 90 -16.900 -2.977 -19.484 673 H LYS 91 H LYS 91 -17.127 -1.748 -22.798 674 HA LYS 91 HA LYS 91 -17.118 -4.279 -24.212 675 HB2 LYS 91 HB2 LYS 91 -15.091 -2.029 -24.115 676 HB3 LYS 91 HB3 LYS 91 -15.004 -3.394 -25.217 677 HG2 LYS 91 HG2 LYS 91 -17.306 -1.413 -25.163 678 HG3 LYS 91 HG3 LYS 91 -15.892 -1.277 -26.202 679 HD2 LYS 91 HD2 LYS 91 -16.442 -3.494 -27.221 680 HD3 LYS 91 HD3 LYS 91 -17.886 -3.596 -26.202 681 HE2 LYS 91 HE2 LYS 91 -18.516 -2.802 -28.422 682 HE3 LYS 91 HE3 LYS 91 -18.756 -1.503 -27.234 683 HZ1 LYS 91 HZ1 LYS 91 -16.431 -1.751 -29.089 684 HZ2 LYS 91 HZ2 LYS 91 -16.627 -0.536 -27.976 685 HZ3 LYS 91 HZ3 LYS 91 -17.679 -0.672 -29.235 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.527 -2.124 0.057 2 HA2 GLY 1 HA2 GLY 1 4.272 -0.864 -0.874 3 HA3 GLY 1 HA3 GLY 1 4.602 -2.284 -1.891 4 H ALA 2 H ALA 2 5.174 -0.139 -3.267 5 HA ALA 2 HA ALA 2 2.925 1.184 -4.489 6 HB1 ALA 2 HB1 ALA 2 5.203 2.161 -4.470 7 HB2 ALA 2 HB2 ALA 2 5.796 0.808 -5.464 8 HB3 ALA 2 HB3 ALA 2 4.617 1.953 -6.137 9 H MET 3 H MET 3 2.153 0.879 -6.650 10 HA MET 3 HA MET 3 2.320 -1.950 -7.599 11 HB2 MET 3 HB2 MET 3 0.082 -0.942 -6.950 12 HB3 MET 3 HB3 MET 3 0.276 0.206 -8.279 13 HG2 MET 3 HG2 MET 3 0.323 -1.672 -9.887 14 HG3 MET 3 HG3 MET 3 0.139 -2.820 -8.551 15 HE1 MET 3 HE1 MET 3 -2.096 -1.679 -6.603 16 HE2 MET 3 HE2 MET 3 -3.538 -2.358 -7.388 17 HE3 MET 3 HE3 MET 3 -2.051 -3.326 -7.280 18 H ALA 4 H ALA 4 2.761 -2.283 -9.847 19 HA ALA 4 HA ALA 4 4.508 -0.364 -11.092 20 HB1 ALA 4 HB1 ALA 4 4.652 -2.816 -11.516 21 HB2 ALA 4 HB2 ALA 4 3.043 -2.777 -12.278 22 HB3 ALA 4 HB3 ALA 4 4.407 -1.913 -13.025 23 H LYS 5 H LYS 5 4.088 0.946 -12.964 24 HA LYS 5 HA LYS 5 1.455 2.127 -13.097 25 HB2 LYS 5 HB2 LYS 5 3.576 3.314 -13.766 26 HB3 LYS 5 HB3 LYS 5 3.709 2.225 -15.151 27 HG2 LYS 5 HG2 LYS 5 1.502 3.097 -15.992 28 HG3 LYS 5 HG3 LYS 5 1.471 4.251 -14.651 29 HD2 LYS 5 HD2 LYS 5 3.503 5.331 -15.496 30 HD3 LYS 5 HD3 LYS 5 3.677 4.082 -16.741 31 HE2 LYS 5 HE2 LYS 5 2.746 6.015 -17.825 32 HE3 LYS 5 HE3 LYS 5 1.462 4.803 -17.716 33 HZ1 LYS 5 HZ1 LYS 5 0.648 7.002 -17.154 34 HZ2 LYS 5 HZ2 LYS 5 1.753 7.171 -15.944 35 HZ3 LYS 5 HZ3 LYS 5 0.561 6.037 -15.820 36 H ALA 6 H ALA 6 -0.252 1.626 -14.399 37 HA ALA 6 HA ALA 6 -0.408 -0.956 -15.584 38 HB1 ALA 6 HB1 ALA 6 -2.608 -0.164 -16.418 39 HB2 ALA 6 HB2 ALA 6 -2.383 0.304 -14.720 40 HB3 ALA 6 HB3 ALA 6 -2.170 1.507 -16.013 41 HA PRO 7 HA PRO 7 1.291 0.021 -19.571 42 HB2 PRO 7 HB2 PRO 7 0.214 -1.881 -21.175 43 HB3 PRO 7 HB3 PRO 7 1.378 -2.313 -19.876 44 HG2 PRO 7 HG2 PRO 7 -1.636 -2.393 -19.825 45 HG3 PRO 7 HG3 PRO 7 -0.476 -3.682 -19.385 46 HD2 PRO 7 HD2 PRO 7 -1.613 -2.059 -17.521 47 HD3 PRO 7 HD3 PRO 7 0.084 -2.645 -17.362 48 H GLU 8 H GLU 8 0.612 0.700 -21.806 49 HA GLU 8 HA GLU 8 -1.733 2.384 -21.742 50 HB2 GLU 8 HB2 GLU 8 0.359 2.840 -23.041 51 HB3 GLU 8 HB3 GLU 8 -0.034 1.479 -24.100 52 HG2 GLU 8 HG2 GLU 8 -2.074 2.616 -24.840 53 HG3 GLU 8 HG3 GLU 8 -1.759 3.943 -23.709 54 H SER 9 H SER 9 -3.769 1.927 -22.304 55 HA SER 9 HA SER 9 -4.447 -0.856 -22.897 56 HB2 SER 9 HB2 SER 9 -6.199 1.624 -22.761 57 HB3 SER 9 HB3 SER 9 -6.756 -0.060 -22.703 58 HG SER 9 HG SER 9 -5.084 1.271 -20.825 59 H ALA 10 H ALA 10 -5.886 -1.490 -24.644 60 HA ALA 10 HA ALA 10 -4.892 -0.828 -27.181 61 HB1 ALA 10 HB1 ALA 10 -6.838 -2.070 -28.061 62 HB2 ALA 10 HB2 ALA 10 -6.107 -2.917 -26.684 63 HB3 ALA 10 HB3 ALA 10 -7.621 -2.004 -26.468 64 H THR 11 H THR 11 -7.707 0.560 -25.460 65 HA THR 11 HA THR 11 -8.562 2.103 -27.742 66 HB THR 11 HB THR 11 -9.114 2.833 -24.836 67 HG1 THR 11 HG1 THR 11 -10.896 1.296 -25.092 68 HG21 THR 11 HG21 THR 11 -10.837 2.878 -27.354 69 HG22 THR 11 HG22 THR 11 -10.032 4.297 -26.641 70 HG23 THR 11 HG23 THR 11 -11.314 3.461 -25.744 71 H GLU 12 H GLU 12 -6.493 2.729 -24.907 72 HA GLU 12 HA GLU 12 -6.285 5.539 -25.263 73 HB2 GLU 12 HB2 GLU 12 -4.418 3.533 -23.985 74 HB3 GLU 12 HB3 GLU 12 -4.200 5.285 -23.875 75 HG2 GLU 12 HG2 GLU 12 -6.346 5.512 -22.764 76 HG3 GLU 12 HG3 GLU 12 -6.663 3.782 -22.934 77 H LYS 13 H LYS 13 -4.255 2.870 -26.525 78 HA LYS 13 HA LYS 13 -2.277 4.623 -27.631 79 HB2 LYS 13 HB2 LYS 13 -1.593 2.772 -29.020 80 HB3 LYS 13 HB3 LYS 13 -1.831 2.262 -27.345 81 HG2 LYS 13 HG2 LYS 13 -3.762 1.058 -27.839 82 HG3 LYS 13 HG3 LYS 13 -4.008 1.836 -29.398 83 HD2 LYS 13 HD2 LYS 13 -1.635 0.038 -28.781 84 HD3 LYS 13 HD3 LYS 13 -3.156 -0.551 -29.474 85 HE2 LYS 13 HE2 LYS 13 -1.321 1.544 -30.724 86 HE3 LYS 13 HE3 LYS 13 -1.472 -0.145 -31.235 87 HZ1 LYS 13 HZ1 LYS 13 -2.771 1.365 -32.627 88 HZ2 LYS 13 HZ2 LYS 13 -3.660 1.861 -31.325 89 HZ3 LYS 13 HZ3 LYS 13 -3.773 0.304 -31.859 90 H VAL 14 H VAL 14 -5.418 3.634 -28.899 91 HA VAL 14 HA VAL 14 -4.885 4.548 -31.604 92 HB VAL 14 HB VAL 14 -7.516 4.117 -30.121 93 HG11 VAL 14 HG11 VAL 14 -7.000 4.685 -33.072 94 HG12 VAL 14 HG12 VAL 14 -8.552 4.142 -32.408 95 HG13 VAL 14 HG13 VAL 14 -7.889 5.712 -31.932 96 HG21 VAL 14 HG21 VAL 14 -6.124 2.410 -32.208 97 HG22 VAL 14 HG22 VAL 14 -6.211 2.050 -30.467 98 HG23 VAL 14 HG23 VAL 14 -7.692 2.070 -31.447 99 H LEU 15 H LEU 15 -6.424 5.866 -28.675 100 HA LEU 15 HA LEU 15 -7.156 8.362 -29.829 101 HB2 LEU 15 HB2 LEU 15 -6.545 7.467 -27.006 102 HB3 LEU 15 HB3 LEU 15 -7.155 9.071 -27.370 103 HG LEU 15 HG LEU 15 -8.653 6.589 -28.223 104 HD11 LEU 15 HD11 LEU 15 -9.886 6.728 -26.106 105 HD12 LEU 15 HD12 LEU 15 -8.798 8.028 -25.567 106 HD13 LEU 15 HD13 LEU 15 -8.156 6.393 -25.850 107 HD21 LEU 15 HD21 LEU 15 -10.605 8.061 -28.091 108 HD22 LEU 15 HD22 LEU 15 -9.392 8.731 -29.198 109 HD23 LEU 15 HD23 LEU 15 -9.566 9.403 -27.562 110 H CYS 16 H CYS 16 -4.231 7.345 -28.002 111 HA CYS 16 HA CYS 16 -2.909 9.847 -27.993 112 HB2 CYS 16 HB2 CYS 16 -1.851 7.004 -28.246 113 HB3 CYS 16 HB3 CYS 16 -0.832 8.413 -27.993 114 HG CYS 16 HG CYS 16 -1.232 6.792 -25.848 115 H ALA 17 H ALA 17 -2.859 7.253 -30.502 116 HA ALA 17 HA ALA 17 -0.998 8.772 -32.127 117 HB1 ALA 17 HB1 ALA 17 -1.545 7.089 -33.879 118 HB2 ALA 17 HB2 ALA 17 -1.260 6.299 -32.309 119 HB3 ALA 17 HB3 ALA 17 -2.925 6.515 -32.908 120 H LEU 18 H LEU 18 -4.563 8.567 -32.018 121 HA LEU 18 HA LEU 18 -4.943 10.059 -34.446 122 HB2 LEU 18 HB2 LEU 18 -6.579 9.004 -32.271 123 HB3 LEU 18 HB3 LEU 18 -7.154 10.558 -32.822 124 HG LEU 18 HG LEU 18 -7.247 9.749 -35.146 125 HD11 LEU 18 HD11 LEU 18 -6.881 7.334 -35.665 126 HD12 LEU 18 HD12 LEU 18 -6.438 7.038 -33.969 127 HD13 LEU 18 HD13 LEU 18 -5.407 8.049 -34.999 128 HD21 LEU 18 HD21 LEU 18 -8.697 7.974 -33.146 129 HD22 LEU 18 HD22 LEU 18 -9.187 8.280 -34.834 130 HD23 LEU 18 HD23 LEU 18 -9.206 9.611 -33.650 131 H TYR 19 H TYR 19 -4.364 11.039 -31.104 132 HA TYR 19 HA TYR 19 -4.849 13.859 -31.506 133 HB2 TYR 19 HB2 TYR 19 -3.081 12.221 -29.702 134 HB3 TYR 19 HB3 TYR 19 -2.808 13.948 -29.778 135 HD1 TYR 19 HD1 TYR 19 -6.104 12.034 -29.600 136 HD2 TYR 19 HD2 TYR 19 -3.391 14.747 -27.671 137 HE1 TYR 19 HE1 TYR 19 -7.755 12.370 -27.752 138 HE2 TYR 19 HE2 TYR 19 -5.019 15.030 -25.789 139 HH TYR 19 HH TYR 19 -8.177 13.373 -25.742 140 H ALA 20 H ALA 20 -1.912 11.828 -31.855 141 HA ALA 20 HA ALA 20 -0.243 13.924 -32.691 142 HB1 ALA 20 HB1 ALA 20 0.418 11.526 -32.037 143 HB2 ALA 20 HB2 ALA 20 0.022 11.064 -33.701 144 HB3 ALA 20 HB3 ALA 20 1.309 12.248 -33.395 145 H GLU 21 H GLU 21 -2.151 11.693 -34.720 146 HA GLU 21 HA GLU 21 -1.203 12.572 -37.254 147 HB2 GLU 21 HB2 GLU 21 -3.839 11.378 -36.327 148 HB3 GLU 21 HB3 GLU 21 -3.483 11.682 -38.032 149 HG2 GLU 21 HG2 GLU 21 -1.820 9.903 -36.229 150 HG3 GLU 21 HG3 GLU 21 -3.099 9.333 -37.307 151 H ILE 22 H ILE 22 -3.708 13.908 -35.150 152 HA ILE 22 HA ILE 22 -4.597 15.740 -37.310 153 HB ILE 22 HB ILE 22 -5.636 15.141 -34.520 154 HG12 ILE 22 HG12 ILE 22 -6.767 14.680 -37.318 155 HG13 ILE 22 HG13 ILE 22 -5.933 13.452 -36.356 156 HG21 ILE 22 HG21 ILE 22 -7.558 16.604 -35.066 157 HG22 ILE 22 HG22 ILE 22 -6.050 17.521 -35.036 158 HG23 ILE 22 HG23 ILE 22 -6.767 17.069 -36.603 159 HD11 ILE 22 HD11 ILE 22 -8.237 13.066 -36.139 160 HD12 ILE 22 HD12 ILE 22 -7.673 13.759 -34.611 161 HD13 ILE 22 HD13 ILE 22 -8.564 14.773 -35.766 162 H LEU 23 H LEU 23 -2.997 15.898 -34.142 163 HA LEU 23 HA LEU 23 -2.951 18.816 -34.189 164 HB2 LEU 23 HB2 LEU 23 -1.460 16.784 -32.461 165 HB3 LEU 23 HB3 LEU 23 -1.499 18.524 -32.164 166 HG LEU 23 HG LEU 23 -4.073 16.872 -32.168 167 HD11 LEU 23 HD11 LEU 23 -2.347 15.968 -30.570 168 HD12 LEU 23 HD12 LEU 23 -3.960 16.494 -29.890 169 HD13 LEU 23 HD13 LEU 23 -2.493 17.550 -29.706 170 HD21 LEU 23 HD21 LEU 23 -4.872 18.640 -30.736 171 HD22 LEU 23 HD22 LEU 23 -4.259 19.310 -32.346 172 HD23 LEU 23 HD23 LEU 23 -3.257 19.473 -30.840 173 H GLY 24 H GLY 24 -0.844 16.309 -35.387 174 HA2 GLY 24 HA2 GLY 24 0.984 16.605 -36.766 175 HA3 GLY 24 HA3 GLY 24 0.754 18.359 -36.661 176 H VAL 25 H VAL 25 1.224 16.145 -33.930 177 HA VAL 25 HA VAL 25 3.692 17.693 -33.257 178 HB VAL 25 HB VAL 25 3.245 17.066 -30.887 179 HG11 VAL 25 HG11 VAL 25 1.320 18.588 -30.542 180 HG12 VAL 25 HG12 VAL 25 2.427 19.225 -31.777 181 HG13 VAL 25 HG13 VAL 25 0.901 18.467 -32.262 182 HG21 VAL 25 HG21 VAL 25 0.578 15.984 -31.901 183 HG22 VAL 25 HG22 VAL 25 1.942 14.975 -31.368 184 HG23 VAL 25 HG23 VAL 25 1.148 16.057 -30.227 185 H GLU 26 H GLU 26 5.397 16.624 -32.161 186 HA GLU 26 HA GLU 26 6.279 14.316 -33.525 187 HB2 GLU 26 HB2 GLU 26 7.210 15.560 -30.912 188 HB3 GLU 26 HB3 GLU 26 8.116 14.342 -31.808 189 HG2 GLU 26 HG2 GLU 26 7.393 17.099 -32.900 190 HG3 GLU 26 HG3 GLU 26 8.925 16.695 -32.110 191 H ARG 27 H ARG 27 4.877 14.642 -30.254 192 HA ARG 27 HA ARG 27 4.502 11.680 -30.148 193 HB2 ARG 27 HB2 ARG 27 6.013 13.241 -28.032 194 HB3 ARG 27 HB3 ARG 27 5.364 11.621 -27.830 195 HG2 ARG 27 HG2 ARG 27 6.811 10.881 -29.722 196 HG3 ARG 27 HG3 ARG 27 7.539 12.405 -29.783 197 HD2 ARG 27 HD2 ARG 27 8.320 12.294 -27.522 198 HD3 ARG 27 HD3 ARG 27 7.579 10.701 -27.372 199 HE ARG 27 HE ARG 27 9.222 10.642 -29.644 200 HH11 ARG 27 HH11 ARG 27 9.620 10.909 -26.140 201 HH12 ARG 27 HH12 ARG 27 11.175 10.122 -26.179 202 HH21 ARG 27 HH21 ARG 27 11.219 9.623 -29.588 203 HH22 ARG 27 HH22 ARG 27 12.048 9.424 -28.068 204 H VAL 28 H VAL 28 3.224 11.080 -28.390 205 HA VAL 28 HA VAL 28 1.607 13.191 -27.041 206 HB VAL 28 HB VAL 28 0.299 10.782 -28.376 207 HG11 VAL 28 HG11 VAL 28 -0.886 11.599 -26.387 208 HG12 VAL 28 HG12 VAL 28 -0.880 13.252 -27.046 209 HG13 VAL 28 HG13 VAL 28 -1.794 11.965 -27.861 210 HG21 VAL 28 HG21 VAL 28 1.063 12.323 -30.128 211 HG22 VAL 28 HG22 VAL 28 -0.686 12.316 -29.963 212 HG23 VAL 28 HG23 VAL 28 0.261 13.674 -29.298 213 H GLY 29 H GLY 29 1.663 12.737 -24.893 214 HA2 GLY 29 HA2 GLY 29 2.301 9.928 -24.071 215 HA3 GLY 29 HA3 GLY 29 2.238 11.347 -23.011 216 H VAL 30 H VAL 30 0.901 8.924 -22.402 217 HA VAL 30 HA VAL 30 -1.796 8.872 -23.090 218 HB VAL 30 HB VAL 30 -2.007 7.891 -20.597 219 HG11 VAL 30 HG11 VAL 30 -0.379 6.477 -22.757 220 HG12 VAL 30 HG12 VAL 30 -1.241 5.688 -21.408 221 HG13 VAL 30 HG13 VAL 30 -2.157 6.545 -22.655 222 HG21 VAL 30 HG21 VAL 30 0.028 7.078 -19.632 223 HG22 VAL 30 HG22 VAL 30 1.001 7.623 -21.006 224 HG23 VAL 30 HG23 VAL 30 0.248 8.815 -19.899 225 H ASP 31 H ASP 31 -0.135 11.073 -20.890 226 HA ASP 31 HA ASP 31 -2.727 12.068 -19.933 227 HB2 ASP 31 HB2 ASP 31 0.037 12.381 -18.722 228 HB3 ASP 31 HB3 ASP 31 -1.412 13.088 -18.156 229 H ASP 32 H ASP 32 -1.246 12.759 -22.583 230 HA ASP 32 HA ASP 32 -0.295 15.477 -22.131 231 HB2 ASP 32 HB2 ASP 32 -0.234 13.548 -24.323 232 HB3 ASP 32 HB3 ASP 32 -0.715 15.129 -24.894 233 H ALA 33 H ALA 33 -1.354 17.344 -22.348 234 HA ALA 33 HA ALA 33 -4.241 17.188 -22.651 235 HB1 ALA 33 HB1 ALA 33 -4.177 19.614 -22.179 236 HB2 ALA 33 HB2 ALA 33 -3.213 18.686 -21.000 237 HB3 ALA 33 HB3 ALA 33 -2.402 19.580 -22.304 238 H PHE 34 H PHE 34 -5.374 17.350 -24.403 239 HA PHE 34 HA PHE 34 -4.393 17.593 -27.012 240 HB2 PHE 34 HB2 PHE 34 -6.647 16.772 -26.271 241 HB3 PHE 34 HB3 PHE 34 -7.135 18.439 -25.977 242 HD1 PHE 34 HD1 PHE 34 -5.999 16.089 -28.659 243 HD2 PHE 34 HD2 PHE 34 -8.024 19.762 -27.736 244 HE1 PHE 34 HE1 PHE 34 -6.749 16.253 -31.034 245 HE2 PHE 34 HE2 PHE 34 -8.808 19.926 -30.101 246 HZ PHE 34 HZ PHE 34 -8.160 18.170 -31.755 247 H HIS 35 H HIS 35 -5.563 20.185 -24.857 248 HA HIS 35 HA HIS 35 -5.394 22.171 -26.963 249 HB2 HIS 35 HB2 HIS 35 -5.943 23.768 -25.170 250 HB3 HIS 35 HB3 HIS 35 -7.064 22.402 -25.251 251 HD1 HIS 35 HD1 HIS 35 -7.371 21.033 -23.126 252 HD2 HIS 35 HD2 HIS 35 -4.106 23.606 -22.935 253 HE1 HIS 35 HE1 HIS 35 -6.532 20.980 -20.740 254 H ASP 36 H ASP 36 -3.063 20.958 -24.619 255 HA ASP 36 HA ASP 36 -1.428 23.397 -24.643 256 HB2 ASP 36 HB2 ASP 36 -1.406 21.632 -22.814 257 HB3 ASP 36 HB3 ASP 36 -0.597 20.547 -23.959 258 H LEU 37 H LEU 37 -1.771 20.389 -26.350 259 HA LEU 37 HA LEU 37 0.522 20.789 -28.113 260 HB2 LEU 37 HB2 LEU 37 -1.722 18.817 -27.812 261 HB3 LEU 37 HB3 LEU 37 -0.817 18.833 -29.300 262 HG LEU 37 HG LEU 37 1.197 18.154 -28.230 263 HD11 LEU 37 HD11 LEU 37 1.120 19.344 -26.085 264 HD12 LEU 37 HD12 LEU 37 1.372 17.610 -25.827 265 HD13 LEU 37 HD13 LEU 37 -0.231 18.319 -25.546 266 HD21 LEU 37 HD21 LEU 37 -0.511 16.429 -28.767 267 HD22 LEU 37 HD22 LEU 37 -1.154 16.548 -27.112 268 HD23 LEU 37 HD23 LEU 37 0.503 15.950 -27.390 269 H GLY 38 H GLY 38 -1.962 22.703 -27.881 270 HA2 GLY 38 HA2 GLY 38 -2.499 24.352 -29.426 271 HA3 GLY 38 HA3 GLY 38 -1.864 23.348 -30.721 272 H GLY 39 H GLY 39 -4.028 21.444 -29.063 273 HA2 GLY 39 HA2 GLY 39 -5.868 21.573 -31.273 274 HA3 GLY 39 HA3 GLY 39 -6.000 20.546 -29.841 275 H SER 40 H SER 40 -7.055 23.319 -31.536 276 HA SER 40 HA SER 40 -8.537 24.582 -29.399 277 HB2 SER 40 HB2 SER 40 -9.614 25.807 -31.220 278 HB3 SER 40 HB3 SER 40 -7.875 25.686 -31.548 279 HG SER 40 HG SER 40 -8.299 24.550 -33.264 280 H SER 41 H SER 41 -10.957 24.676 -29.353 281 HA SER 41 HA SER 41 -12.116 22.065 -29.260 282 HB2 SER 41 HB2 SER 41 -12.914 23.993 -27.909 283 HB3 SER 41 HB3 SER 41 -13.539 24.746 -29.393 284 HG SER 41 HG SER 41 -14.714 22.637 -29.628 285 H ALA 42 H ALA 42 -11.815 24.385 -31.878 286 HA ALA 42 HA ALA 42 -13.934 23.281 -33.512 287 HB1 ALA 42 HB1 ALA 42 -12.816 24.538 -35.338 288 HB2 ALA 42 HB2 ALA 42 -13.032 25.554 -33.900 289 HB3 ALA 42 HB3 ALA 42 -11.428 24.872 -34.270 290 H LEU 43 H LEU 43 -10.462 22.692 -33.063 291 HA LEU 43 HA LEU 43 -10.254 20.776 -35.201 292 HB2 LEU 43 HB2 LEU 43 -8.383 22.083 -34.147 293 HB3 LEU 43 HB3 LEU 43 -8.536 21.063 -32.724 294 HG LEU 43 HG LEU 43 -7.918 19.078 -34.063 295 HD11 LEU 43 HD11 LEU 43 -6.941 19.483 -36.357 296 HD12 LEU 43 HD12 LEU 43 -7.681 21.083 -36.328 297 HD13 LEU 43 HD13 LEU 43 -8.689 19.630 -36.269 298 HD21 LEU 43 HD21 LEU 43 -6.016 21.402 -34.336 299 HD22 LEU 43 HD22 LEU 43 -5.585 19.690 -34.448 300 HD23 LEU 43 HD23 LEU 43 -6.193 20.341 -32.942 301 H ALA 44 H ALA 44 -11.073 20.614 -31.777 302 HA ALA 44 HA ALA 44 -10.826 17.853 -31.351 303 HB1 ALA 44 HB1 ALA 44 -12.407 18.171 -29.524 304 HB2 ALA 44 HB2 ALA 44 -11.308 19.566 -29.594 305 HB3 ALA 44 HB3 ALA 44 -12.978 19.704 -30.223 306 H MET 45 H MET 45 -13.359 19.579 -33.084 307 HA MET 45 HA MET 45 -15.265 17.457 -33.197 308 HB2 MET 45 HB2 MET 45 -14.700 19.675 -35.235 309 HB3 MET 45 HB3 MET 45 -16.123 18.615 -35.226 310 HG2 MET 45 HG2 MET 45 -15.380 20.500 -32.955 311 HG3 MET 45 HG3 MET 45 -16.597 20.827 -34.197 312 HE1 MET 45 HE1 MET 45 -18.552 21.245 -32.456 313 HE2 MET 45 HE2 MET 45 -18.863 20.167 -31.077 314 HE3 MET 45 HE3 MET 45 -17.330 21.065 -31.173 315 H ARG 46 H ARG 46 -12.288 18.119 -35.042 316 HA ARG 46 HA ARG 46 -12.918 16.125 -37.128 317 HB2 ARG 46 HB2 ARG 46 -10.436 17.707 -36.383 318 HB3 ARG 46 HB3 ARG 46 -10.368 16.387 -37.548 319 HG2 ARG 46 HG2 ARG 46 -10.581 18.306 -38.863 320 HG3 ARG 46 HG3 ARG 46 -12.194 17.600 -38.847 321 HD2 ARG 46 HD2 ARG 46 -12.905 19.234 -37.135 322 HD3 ARG 46 HD3 ARG 46 -11.267 19.932 -37.123 323 HE ARG 46 HE ARG 46 -12.142 19.965 -39.786 324 HH11 ARG 46 HH11 ARG 46 -13.140 21.498 -36.751 325 HH12 ARG 46 HH12 ARG 46 -13.838 22.872 -37.580 326 HH21 ARG 46 HH21 ARG 46 -13.040 21.757 -40.754 327 HH22 ARG 46 HH22 ARG 46 -13.765 23.016 -39.795 328 H LEU 47 H LEU 47 -11.215 16.258 -34.027 329 HA LEU 47 HA LEU 47 -9.997 13.673 -34.165 330 HB2 LEU 47 HB2 LEU 47 -9.520 15.396 -32.427 331 HB3 LEU 47 HB3 LEU 47 -11.072 15.139 -31.774 332 HG LEU 47 HG LEU 47 -10.397 12.760 -31.256 333 HD11 LEU 47 HD11 LEU 47 -7.937 12.316 -31.224 334 HD12 LEU 47 HD12 LEU 47 -7.699 13.816 -32.175 335 HD13 LEU 47 HD13 LEU 47 -8.619 12.453 -32.866 336 HD21 LEU 47 HD21 LEU 47 -9.071 13.364 -29.323 337 HD22 LEU 47 HD22 LEU 47 -10.333 14.611 -29.599 338 HD23 LEU 47 HD23 LEU 47 -8.623 14.916 -30.067 339 H ILE 48 H ILE 48 -13.117 14.758 -32.950 340 HA ILE 48 HA ILE 48 -14.124 12.204 -32.171 341 HB ILE 48 HB ILE 48 -15.612 14.701 -33.125 342 HG12 ILE 48 HG12 ILE 48 -15.272 13.666 -30.290 343 HG13 ILE 48 HG13 ILE 48 -14.095 14.739 -31.015 344 HG21 ILE 48 HG21 ILE 48 -17.092 12.725 -33.344 345 HG22 ILE 48 HG22 ILE 48 -16.716 12.238 -31.678 346 HG23 ILE 48 HG23 ILE 48 -17.620 13.738 -31.985 347 HD11 ILE 48 HD11 ILE 48 -15.883 16.434 -31.357 348 HD12 ILE 48 HD12 ILE 48 -17.020 15.362 -30.513 349 HD13 ILE 48 HD13 ILE 48 -15.614 16.020 -29.656 350 H ALA 49 H ALA 49 -14.273 13.916 -35.327 351 HA ALA 49 HA ALA 49 -15.920 11.946 -36.589 352 HB1 ALA 49 HB1 ALA 49 -13.829 13.775 -37.843 353 HB2 ALA 49 HB2 ALA 49 -15.151 12.934 -38.693 354 HB3 ALA 49 HB3 ALA 49 -15.521 14.221 -37.516 355 H ARG 50 H ARG 50 -12.328 12.259 -36.324 356 HA ARG 50 HA ARG 50 -11.670 10.096 -38.078 357 HB2 ARG 50 HB2 ARG 50 -10.205 11.919 -36.748 358 HB3 ARG 50 HB3 ARG 50 -10.013 10.712 -35.756 359 HG2 ARG 50 HG2 ARG 50 -8.159 10.540 -37.142 360 HG3 ARG 50 HG3 ARG 50 -9.238 9.281 -37.798 361 HD2 ARG 50 HD2 ARG 50 -9.919 10.837 -39.579 362 HD3 ARG 50 HD3 ARG 50 -8.900 12.123 -38.912 363 HE ARG 50 HE ARG 50 -8.050 9.716 -40.382 364 HH11 ARG 50 HH11 ARG 50 -6.925 12.436 -38.400 365 HH12 ARG 50 HH12 ARG 50 -5.290 12.289 -38.992 366 HH21 ARG 50 HH21 ARG 50 -5.921 9.631 -41.069 367 HH22 ARG 50 HH22 ARG 50 -4.737 10.756 -40.447 368 H ILE 51 H ILE 51 -12.481 10.296 -34.563 369 HA ILE 51 HA ILE 51 -11.596 7.620 -33.789 370 HB ILE 51 HB ILE 51 -13.591 9.728 -32.648 371 HG12 ILE 51 HG12 ILE 51 -11.027 8.496 -31.477 372 HG13 ILE 51 HG13 ILE 51 -10.980 9.917 -32.516 373 HG21 ILE 51 HG21 ILE 51 -14.590 7.683 -32.124 374 HG22 ILE 51 HG22 ILE 51 -13.017 6.952 -31.658 375 HG23 ILE 51 HG23 ILE 51 -13.739 8.234 -30.683 376 HD11 ILE 51 HD11 ILE 51 -10.883 10.691 -30.269 377 HD12 ILE 51 HD12 ILE 51 -12.545 11.040 -30.814 378 HD13 ILE 51 HD13 ILE 51 -12.212 9.622 -29.768 379 H ARG 52 H ARG 52 -14.496 8.772 -35.525 380 HA ARG 52 HA ARG 52 -16.092 6.496 -34.879 381 HB2 ARG 52 HB2 ARG 52 -16.165 8.173 -37.386 382 HB3 ARG 52 HB3 ARG 52 -17.386 7.023 -36.843 383 HG2 ARG 52 HG2 ARG 52 -17.455 8.421 -34.689 384 HG3 ARG 52 HG3 ARG 52 -16.597 9.655 -35.638 385 HD2 ARG 52 HD2 ARG 52 -18.372 9.471 -37.355 386 HD3 ARG 52 HD3 ARG 52 -19.226 8.337 -36.296 387 HE ARG 52 HE ARG 52 -18.574 10.876 -35.019 388 HH11 ARG 52 HH11 ARG 52 -21.015 9.185 -36.909 389 HH12 ARG 52 HH12 ARG 52 -22.302 10.238 -36.379 390 HH21 ARG 52 HH21 ARG 52 -20.261 12.195 -34.388 391 HH22 ARG 52 HH22 ARG 52 -21.872 11.912 -34.979 392 H GLU 53 H GLU 53 -13.565 6.994 -37.219 393 HA GLU 53 HA GLU 53 -14.266 4.695 -38.890 394 HB2 GLU 53 HB2 GLU 53 -11.596 5.988 -38.630 395 HB3 GLU 53 HB3 GLU 53 -12.340 5.253 -40.091 396 HG2 GLU 53 HG2 GLU 53 -13.145 7.903 -38.801 397 HG3 GLU 53 HG3 GLU 53 -12.332 7.812 -40.343 398 H GLU 54 H GLU 54 -12.059 5.498 -36.275 399 HA GLU 54 HA GLU 54 -10.532 3.094 -36.516 400 HB2 GLU 54 HB2 GLU 54 -10.548 5.408 -34.560 401 HB3 GLU 54 HB3 GLU 54 -9.439 4.044 -34.420 402 HG2 GLU 54 HG2 GLU 54 -9.593 5.582 -37.006 403 HG3 GLU 54 HG3 GLU 54 -8.645 6.192 -35.651 404 H LEU 55 H LEU 55 -12.864 4.499 -34.011 405 HA LEU 55 HA LEU 55 -12.739 1.874 -32.574 406 HB2 LEU 55 HB2 LEU 55 -14.000 4.493 -31.771 407 HB3 LEU 55 HB3 LEU 55 -13.727 3.037 -30.735 408 HG LEU 55 HG LEU 55 -11.584 5.005 -31.733 409 HD11 LEU 55 HD11 LEU 55 -13.070 5.726 -29.851 410 HD12 LEU 55 HD12 LEU 55 -11.332 5.591 -29.392 411 HD13 LEU 55 HD13 LEU 55 -12.494 4.310 -28.918 412 HD21 LEU 55 HD21 LEU 55 -11.239 2.482 -30.083 413 HD22 LEU 55 HD22 LEU 55 -10.010 3.770 -30.259 414 HD23 LEU 55 HD23 LEU 55 -10.540 2.847 -31.679 415 H GLY 56 H GLY 56 -14.560 3.409 -34.849 416 HA2 GLY 56 HA2 GLY 56 -16.594 2.699 -35.731 417 HA3 GLY 56 HA3 GLY 56 -16.601 1.368 -34.564 418 H VAL 57 H VAL 57 -16.328 4.589 -33.295 419 HA VAL 57 HA VAL 57 -19.223 4.691 -32.690 420 HB VAL 57 HB VAL 57 -18.278 3.251 -30.912 421 HG11 VAL 57 HG11 VAL 57 -15.978 3.975 -30.893 422 HG12 VAL 57 HG12 VAL 57 -16.416 5.585 -30.286 423 HG13 VAL 57 HG13 VAL 57 -16.645 4.136 -29.271 424 HG21 VAL 57 HG21 VAL 57 -20.090 4.844 -30.371 425 HG22 VAL 57 HG22 VAL 57 -19.075 4.417 -28.991 426 HG23 VAL 57 HG23 VAL 57 -18.860 5.984 -29.781 427 H ASP 58 H ASP 58 -19.968 6.774 -32.023 428 HA ASP 58 HA ASP 58 -18.144 8.957 -32.766 429 HB2 ASP 58 HB2 ASP 58 -20.091 10.403 -32.392 430 HB3 ASP 58 HB3 ASP 58 -20.485 9.062 -33.478 431 H LEU 59 H LEU 59 -16.832 9.908 -31.373 432 HA LEU 59 HA LEU 59 -16.739 9.069 -28.667 433 HB2 LEU 59 HB2 LEU 59 -14.910 10.056 -30.173 434 HB3 LEU 59 HB3 LEU 59 -15.536 11.622 -29.736 435 HG LEU 59 HG LEU 59 -13.497 11.036 -28.518 436 HD11 LEU 59 HD11 LEU 59 -15.714 11.089 -26.491 437 HD12 LEU 59 HD12 LEU 59 -15.253 12.505 -27.452 438 HD13 LEU 59 HD13 LEU 59 -14.071 11.736 -26.369 439 HD21 LEU 59 HD21 LEU 59 -13.918 8.576 -28.448 440 HD22 LEU 59 HD22 LEU 59 -15.085 8.845 -27.145 441 HD23 LEU 59 HD23 LEU 59 -13.381 9.259 -26.911 442 HA PRO 60 HA PRO 60 -19.922 11.913 -27.225 443 HB2 PRO 60 HB2 PRO 60 -19.779 11.378 -24.554 444 HB3 PRO 60 HB3 PRO 60 -20.579 10.283 -25.722 445 HG2 PRO 60 HG2 PRO 60 -17.806 10.129 -24.597 446 HG3 PRO 60 HG3 PRO 60 -19.048 8.849 -24.725 447 HD2 PRO 60 HD2 PRO 60 -17.029 9.099 -26.512 448 HD3 PRO 60 HD3 PRO 60 -18.678 8.568 -27.012 449 H ILE 61 H ILE 61 -19.325 13.958 -27.454 450 HA ILE 61 HA ILE 61 -16.817 14.994 -26.744 451 HB ILE 61 HB ILE 61 -18.530 15.912 -28.397 452 HG12 ILE 61 HG12 ILE 61 -17.299 17.970 -26.554 453 HG13 ILE 61 HG13 ILE 61 -16.308 16.969 -27.667 454 HG21 ILE 61 HG21 ILE 61 -19.647 17.401 -25.974 455 HG22 ILE 61 HG22 ILE 61 -20.146 17.573 -27.668 456 HG23 ILE 61 HG23 ILE 61 -20.466 16.058 -26.813 457 HD11 ILE 61 HD11 ILE 61 -17.717 17.926 -29.574 458 HD12 ILE 61 HD12 ILE 61 -18.439 19.050 -28.395 459 HD13 ILE 61 HD13 ILE 61 -16.698 19.101 -28.716 460 H ARG 62 H ARG 62 -19.594 14.564 -24.631 461 HA ARG 62 HA ARG 62 -18.830 16.462 -22.610 462 HB2 ARG 62 HB2 ARG 62 -20.465 13.944 -22.688 463 HB3 ARG 62 HB3 ARG 62 -19.837 14.423 -21.125 464 HG2 ARG 62 HG2 ARG 62 -21.633 16.109 -22.891 465 HG3 ARG 62 HG3 ARG 62 -22.105 15.231 -21.431 466 HD2 ARG 62 HD2 ARG 62 -20.226 17.624 -21.592 467 HD3 ARG 62 HD3 ARG 62 -21.856 17.589 -20.899 468 HE ARG 62 HE ARG 62 -20.178 15.687 -19.544 469 HH11 ARG 62 HH11 ARG 62 -20.687 19.195 -19.747 470 HH12 ARG 62 HH12 ARG 62 -20.002 19.443 -18.152 471 HH21 ARG 62 HH21 ARG 62 -19.382 16.122 -17.570 472 HH22 ARG 62 HH22 ARG 62 -19.293 17.786 -16.974 473 H GLN 63 H GLN 63 -17.852 13.091 -23.254 474 HA GLN 63 HA GLN 63 -16.217 13.020 -20.836 475 HB2 GLN 63 HB2 GLN 63 -16.722 11.170 -23.129 476 HB3 GLN 63 HB3 GLN 63 -15.342 10.901 -22.059 477 HG2 GLN 63 HG2 GLN 63 -17.222 9.563 -21.315 478 HG3 GLN 63 HG3 GLN 63 -16.852 10.827 -20.116 479 HE21 GLN 63 HE21 GLN 63 -18.396 12.215 -19.511 480 HE22 GLN 63 HE22 GLN 63 -20.017 12.210 -20.146 481 H LEU 64 H LEU 64 -15.762 13.969 -24.189 482 HA LEU 64 HA LEU 64 -12.889 13.970 -24.174 483 HB2 LEU 64 HB2 LEU 64 -14.374 14.254 -26.172 484 HB3 LEU 64 HB3 LEU 64 -14.741 15.871 -25.584 485 HG LEU 64 HG LEU 64 -12.409 16.572 -25.905 486 HD11 LEU 64 HD11 LEU 64 -10.882 15.070 -27.162 487 HD12 LEU 64 HD12 LEU 64 -12.013 13.753 -26.906 488 HD13 LEU 64 HD13 LEU 64 -11.221 14.512 -25.546 489 HD21 LEU 64 HD21 LEU 64 -13.957 16.806 -27.728 490 HD22 LEU 64 HD22 LEU 64 -13.605 15.199 -28.302 491 HD23 LEU 64 HD23 LEU 64 -12.371 16.435 -28.323 492 H PHE 65 H PHE 65 -15.314 16.478 -23.362 493 HA PHE 65 HA PHE 65 -13.271 18.413 -22.597 494 HB2 PHE 65 HB2 PHE 65 -16.265 18.304 -22.065 495 HB3 PHE 65 HB3 PHE 65 -15.225 19.672 -21.663 496 HD1 PHE 65 HD2 PHE 65 -13.562 19.060 -24.512 497 HD2 PHE 65 HD1 PHE 65 -17.624 19.963 -23.352 498 HE1 PHE 65 HE2 PHE 65 -13.969 20.079 -26.724 499 HE2 PHE 65 HE1 PHE 65 -18.025 20.976 -25.581 500 HZ PHE 65 HZ PHE 65 -16.199 21.053 -27.270 501 H SER 66 H SER 66 -14.911 15.797 -21.013 502 HA SER 66 HA SER 66 -14.644 16.598 -18.280 503 HB2 SER 66 HB2 SER 66 -16.020 14.697 -19.039 504 HB3 SER 66 HB3 SER 66 -14.575 13.854 -19.549 505 HG SER 66 HG SER 66 -15.603 13.439 -17.368 506 H SER 67 H SER 67 -12.421 15.104 -20.621 507 HA SER 67 HA SER 67 -10.151 15.914 -18.954 508 HB2 SER 67 HB2 SER 67 -10.770 12.992 -19.443 509 HB3 SER 67 HB3 SER 67 -9.143 13.593 -19.045 510 HG SER 67 HG SER 67 -11.265 14.423 -17.442 511 HA PRO 68 HA PRO 68 -9.419 16.017 -23.469 512 HB2 PRO 68 HB2 PRO 68 -7.781 18.257 -23.520 513 HB3 PRO 68 HB3 PRO 68 -9.525 18.405 -23.173 514 HG2 PRO 68 HG2 PRO 68 -7.258 18.247 -21.227 515 HG3 PRO 68 HG3 PRO 68 -8.534 19.497 -21.361 516 HD2 PRO 68 HD2 PRO 68 -8.735 17.445 -19.619 517 HD3 PRO 68 HD3 PRO 68 -10.180 18.071 -20.492 518 H THR 69 H THR 69 -8.008 14.106 -21.848 519 HA THR 69 HA THR 69 -5.289 14.287 -23.078 520 HB THR 69 HB THR 69 -4.394 12.905 -21.191 521 HG1 THR 69 HG1 THR 69 -5.673 12.783 -19.298 522 HG21 THR 69 HG21 THR 69 -5.652 15.480 -20.238 523 HG22 THR 69 HG22 THR 69 -4.102 15.321 -21.099 524 HG23 THR 69 HG23 THR 69 -4.285 14.605 -19.485 525 HA PRO 70 HA PRO 70 -6.894 10.827 -24.941 526 HB2 PRO 70 HB2 PRO 70 -4.840 9.088 -25.431 527 HB3 PRO 70 HB3 PRO 70 -5.001 10.690 -26.238 528 HG2 PRO 70 HG2 PRO 70 -3.406 9.993 -23.876 529 HG3 PRO 70 HG3 PRO 70 -2.890 10.767 -25.403 530 HD2 PRO 70 HD2 PRO 70 -3.463 12.258 -23.245 531 HD3 PRO 70 HD3 PRO 70 -4.030 12.771 -24.874 532 H ALA 71 H ALA 71 -4.878 9.884 -22.082 533 HA ALA 71 HA ALA 71 -6.383 7.392 -21.755 534 HB1 ALA 71 HB1 ALA 71 -4.127 7.565 -20.878 535 HB2 ALA 71 HB2 ALA 71 -4.598 8.917 -19.833 536 HB3 ALA 71 HB3 ALA 71 -5.265 7.292 -19.545 537 H GLY 72 H GLY 72 -6.669 10.731 -20.738 538 HA2 GLY 72 HA2 GLY 72 -8.510 10.347 -18.593 539 HA3 GLY 72 HA3 GLY 72 -8.297 11.828 -19.546 540 H VAL 73 H VAL 73 -8.945 10.970 -22.082 541 HA VAL 73 HA VAL 73 -11.801 10.964 -22.058 542 HB VAL 73 HB VAL 73 -9.778 10.150 -24.240 543 HG11 VAL 73 HG11 VAL 73 -12.770 10.538 -24.373 544 HG12 VAL 73 HG12 VAL 73 -11.714 10.601 -25.804 545 HG13 VAL 73 HG13 VAL 73 -11.808 9.118 -24.850 546 HG21 VAL 73 HG21 VAL 73 -10.360 12.382 -25.194 547 HG22 VAL 73 HG22 VAL 73 -11.379 12.702 -23.771 548 HG23 VAL 73 HG23 VAL 73 -9.637 12.526 -23.585 549 H ALA 74 H ALA 74 -9.393 8.298 -22.574 550 HA ALA 74 HA ALA 74 -11.285 6.197 -22.993 551 HB1 ALA 74 HB1 ALA 74 -9.489 4.711 -22.391 552 HB2 ALA 74 HB2 ALA 74 -8.898 6.068 -23.361 553 HB3 ALA 74 HB3 ALA 74 -8.586 6.048 -21.608 554 H ARG 75 H ARG 75 -9.864 7.260 -19.778 555 HA ARG 75 HA ARG 75 -11.342 5.229 -18.341 556 HB2 ARG 75 HB2 ARG 75 -10.677 6.317 -16.334 557 HB3 ARG 75 HB3 ARG 75 -9.341 6.329 -17.480 558 HG2 ARG 75 HG2 ARG 75 -9.721 8.624 -17.953 559 HG3 ARG 75 HG3 ARG 75 -11.126 8.734 -17.028 560 HD2 ARG 75 HD2 ARG 75 -9.837 8.148 -14.961 561 HD3 ARG 75 HD3 ARG 75 -8.373 8.038 -15.950 562 HE ARG 75 HE ARG 75 -9.961 10.548 -15.488 563 HH11 ARG 75 HH11 ARG 75 -6.877 9.058 -16.425 564 HH12 ARG 75 HH12 ARG 75 -6.076 10.600 -16.553 565 HH21 ARG 75 HH21 ARG 75 -8.895 12.437 -15.709 566 HH22 ARG 75 HH22 ARG 75 -7.208 12.475 -16.156 567 H ALA 76 H ALA 76 -12.172 8.507 -19.412 568 HA ALA 76 HA ALA 76 -14.411 8.686 -17.571 569 HB1 ALA 76 HB1 ALA 76 -13.218 10.671 -18.541 570 HB2 ALA 76 HB2 ALA 76 -13.831 10.253 -20.152 571 HB3 ALA 76 HB3 ALA 76 -14.963 10.734 -18.860 572 H LEU 77 H LEU 77 -14.035 7.759 -20.989 573 HA LEU 77 HA LEU 77 -16.917 7.383 -21.235 574 HB2 LEU 77 HB2 LEU 77 -16.449 6.657 -23.487 575 HB3 LEU 77 HB3 LEU 77 -15.529 8.115 -23.126 576 HG LEU 77 HG LEU 77 -13.558 6.404 -22.575 577 HD11 LEU 77 HD11 LEU 77 -15.110 4.697 -24.614 578 HD12 LEU 77 HD12 LEU 77 -14.858 4.314 -22.885 579 HD13 LEU 77 HD13 LEU 77 -13.500 4.464 -23.925 580 HD21 LEU 77 HD21 LEU 77 -14.478 6.944 -25.369 581 HD22 LEU 77 HD22 LEU 77 -12.831 6.507 -24.859 582 HD23 LEU 77 HD23 LEU 77 -13.538 8.043 -24.335 583 H ALA 78 H ALA 78 -14.253 5.428 -20.188 584 HA ALA 78 HA ALA 78 -15.193 2.871 -20.847 585 HB1 ALA 78 HB1 ALA 78 -12.978 3.235 -19.859 586 HB2 ALA 78 HB2 ALA 78 -13.718 3.733 -18.317 587 HB3 ALA 78 HB3 ALA 78 -13.887 2.057 -18.891 588 H ALA 79 H ALA 79 -16.460 5.023 -18.367 589 HA ALA 79 HA ALA 79 -17.902 3.070 -16.865 590 HB1 ALA 79 HB1 ALA 79 -17.575 5.393 -16.106 591 HB2 ALA 79 HB2 ALA 79 -18.577 5.988 -17.454 592 HB3 ALA 79 HB3 ALA 79 -19.308 4.986 -16.174 593 H LYS 80 H LYS 80 -18.520 4.510 -20.036 594 HA LYS 80 HA LYS 80 -21.341 3.768 -20.170 595 HB2 LYS 80 HB2 LYS 80 -19.346 4.282 -22.414 596 HB3 LYS 80 HB3 LYS 80 -21.097 4.253 -22.575 597 HG2 LYS 80 HG2 LYS 80 -19.579 6.281 -20.901 598 HG3 LYS 80 HG3 LYS 80 -20.092 6.525 -22.576 599 HD2 LYS 80 HD2 LYS 80 -22.467 6.121 -21.860 600 HD3 LYS 80 HD3 LYS 80 -21.902 6.043 -20.179 601 HE2 LYS 80 HE2 LYS 80 -22.718 8.285 -20.634 602 HE3 LYS 80 HE3 LYS 80 -20.961 8.345 -20.412 603 HZ1 LYS 80 HZ1 LYS 80 -20.791 8.291 -22.875 604 HZ2 LYS 80 HZ2 LYS 80 -21.524 9.647 -22.305 605 HZ3 LYS 80 HZ3 LYS 80 -22.431 8.445 -22.985 606 H SER 81 H SER 81 -18.374 2.036 -20.514 607 HA SER 81 HA SER 81 -19.383 0.052 -22.400 608 HB2 SER 81 HB2 SER 81 -16.952 0.748 -22.041 609 HB3 SER 81 HB3 SER 81 -16.996 -0.176 -20.530 610 HG SER 81 HG SER 81 -16.546 -1.816 -21.748 611 H ALA 82 H ALA 82 -19.975 0.713 -19.173 612 HA ALA 82 HA ALA 82 -20.928 -0.383 -17.435 613 HB1 ALA 82 HB1 ALA 82 -22.546 -2.130 -17.908 614 HB2 ALA 82 HB2 ALA 82 -22.635 -0.905 -19.199 615 HB3 ALA 82 HB3 ALA 82 -21.810 -2.452 -19.487 616 H SER 83 H SER 83 -18.163 -1.184 -18.442 617 HA SER 83 HA SER 83 -17.792 -3.939 -17.604 618 HB2 SER 83 HB2 SER 83 -15.326 -3.158 -17.874 619 HB3 SER 83 HB3 SER 83 -16.373 -3.170 -19.308 620 HG SER 83 HG SER 83 -15.367 -0.994 -17.858 621 H TRP 84 H TRP 84 -18.921 -2.009 -15.630 622 HA TRP 84 HA TRP 84 -18.748 -1.374 -13.445 623 HB2 TRP 84 HB2 TRP 84 -16.877 -3.762 -13.377 624 HB3 TRP 84 HB3 TRP 84 -17.402 -2.881 -11.934 625 HD1 TRP 84 HD1 TRP 84 -19.921 -3.181 -11.145 626 HE1 TRP 84 HE1 TRP 84 -21.774 -4.833 -11.675 627 HE3 TRP 84 HE3 TRP 84 -17.834 -5.254 -15.334 628 HZ2 TRP 84 HZ2 TRP 84 -22.332 -6.778 -13.686 629 HZ3 TRP 84 HZ3 TRP 84 -19.124 -7.031 -16.555 630 HH2 TRP 84 HH2 TRP 84 -21.358 -7.769 -15.728 631 H SER 85 H SER 85 -16.784 -0.272 -15.476 632 HA SER 85 HA SER 85 -14.427 0.395 -13.939 633 HB2 SER 85 HB2 SER 85 -15.594 1.759 -16.398 634 HB3 SER 85 HB3 SER 85 -13.927 1.901 -15.793 635 HG SER 85 HG SER 85 -13.848 -0.464 -16.087 636 H HIS 86 H HIS 86 -14.053 2.169 -12.679 637 HA HIS 86 HA HIS 86 -16.354 3.533 -11.612 638 HB2 HIS 86 HB2 HIS 86 -13.364 3.907 -11.240 639 HB3 HIS 86 HB3 HIS 86 -14.582 4.843 -10.361 640 HD1 HIS 86 HD1 HIS 86 -15.937 3.586 -8.497 641 HD2 HIS 86 HD2 HIS 86 -13.067 1.260 -10.404 642 HE1 HIS 86 HE1 HIS 86 -15.671 1.489 -7.117 643 HA PRO 87 HA PRO 87 -15.999 6.957 -14.509 644 HB2 PRO 87 HB2 PRO 87 -17.965 8.579 -13.565 645 HB3 PRO 87 HB3 PRO 87 -18.363 7.044 -14.407 646 HG2 PRO 87 HG2 PRO 87 -18.176 7.591 -11.453 647 HG3 PRO 87 HG3 PRO 87 -19.504 6.815 -12.376 648 HD2 PRO 87 HD2 PRO 87 -17.601 5.368 -11.069 649 HD3 PRO 87 HD3 PRO 87 -18.321 4.810 -12.619 650 H GLN 88 H GLN 88 -15.725 9.460 -14.190 651 HA GLN 88 HA GLN 88 -14.397 9.996 -11.566 652 HB2 GLN 88 HB2 GLN 88 -12.890 11.495 -12.655 653 HB3 GLN 88 HB3 GLN 88 -12.780 9.934 -13.466 654 HG2 GLN 88 HG2 GLN 88 -13.932 10.747 -15.393 655 HG3 GLN 88 HG3 GLN 88 -14.492 12.197 -14.545 656 HE21 GLN 88 HE21 GLN 88 -13.546 13.934 -15.262 657 HE22 GLN 88 HE22 GLN 88 -11.854 14.076 -15.661 658 H PHE 89 H PHE 89 -14.445 12.360 -11.016 659 HA PHE 89 HA PHE 89 -17.164 13.371 -11.272 660 HB2 PHE 89 HB2 PHE 89 -15.787 13.718 -9.230 661 HB3 PHE 89 HB3 PHE 89 -14.603 14.628 -10.176 662 HD1 PHE 89 HD1 PHE 89 -15.095 16.901 -10.988 663 HD2 PHE 89 HD2 PHE 89 -17.923 14.712 -8.597 664 HE1 PHE 89 HE1 PHE 89 -16.337 19.012 -10.546 665 HE2 PHE 89 HE2 PHE 89 -19.167 16.825 -8.136 666 HZ PHE 89 HZ PHE 89 -18.366 18.978 -9.111 667 H GLU 90 H GLU 90 -17.920 14.786 -12.801 668 HA GLU 90 HA GLU 90 -15.972 16.518 -14.164 669 HB2 GLU 90 HB2 GLU 90 -16.966 16.067 -16.382 670 HB3 GLU 90 HB3 GLU 90 -16.222 14.624 -15.702 671 HG2 GLU 90 HG2 GLU 90 -18.405 13.680 -15.141 672 HG3 GLU 90 HG3 GLU 90 -19.206 15.143 -15.733 673 H LYS 91 H LYS 91 -16.872 18.478 -14.822 674 HA LYS 91 HA LYS 91 -19.493 19.042 -13.525 675 HB2 LYS 91 HB2 LYS 91 -17.097 20.393 -13.291 676 HB3 LYS 91 HB3 LYS 91 -17.760 21.192 -14.736 677 HG2 LYS 91 HG2 LYS 91 -18.403 22.500 -12.875 678 HG3 LYS 91 HG3 LYS 91 -19.850 21.636 -13.431 679 HD2 LYS 91 HD2 LYS 91 -19.387 19.883 -11.760 680 HD3 LYS 91 HD3 LYS 91 -18.138 20.845 -10.979 681 HE2 LYS 91 HE2 LYS 91 -19.682 22.753 -10.669 682 HE3 LYS 91 HE3 LYS 91 -20.964 21.695 -11.284 683 HZ1 LYS 91 HZ1 LYS 91 -19.408 21.247 -8.851 684 HZ2 LYS 91 HZ2 LYS 91 -20.355 20.093 -9.538 685 HZ3 LYS 91 HZ3 LYS 91 -21.031 21.502 -8.987 Start of MODEL 6 1 H1 GLY 1 H GLY 1 7.555 4.068 -0.823 2 HA2 GLY 1 HA2 GLY 1 7.949 5.408 -2.729 3 HA3 GLY 1 HA3 GLY 1 8.598 3.949 -3.475 4 H ALA 2 H ALA 2 7.325 5.675 -5.153 5 HA ALA 2 HA ALA 2 4.499 4.967 -5.396 6 HB1 ALA 2 HB1 ALA 2 4.639 6.361 -7.473 7 HB2 ALA 2 HB2 ALA 2 5.315 7.229 -6.073 8 HB3 ALA 2 HB3 ALA 2 6.396 6.473 -7.283 9 H MET 3 H MET 3 3.642 3.787 -7.188 10 HA MET 3 HA MET 3 5.214 1.445 -7.927 11 HB2 MET 3 HB2 MET 3 3.129 0.714 -8.990 12 HB3 MET 3 HB3 MET 3 2.868 1.281 -7.334 13 HG2 MET 3 HG2 MET 3 2.077 3.462 -8.237 14 HG3 MET 3 HG3 MET 3 2.242 2.800 -9.879 15 HE1 MET 3 HE1 MET 3 -0.537 3.966 -8.081 16 HE2 MET 3 HE2 MET 3 -0.398 3.811 -9.840 17 HE3 MET 3 HE3 MET 3 -1.718 2.965 -8.975 18 H ALA 4 H ALA 4 5.534 0.687 -10.097 19 HA ALA 4 HA ALA 4 6.459 2.764 -11.921 20 HB1 ALA 4 HB1 ALA 4 7.143 0.838 -13.318 21 HB2 ALA 4 HB2 ALA 4 7.610 0.563 -11.622 22 HB3 ALA 4 HB3 ALA 4 6.169 -0.261 -12.298 23 H LYS 5 H LYS 5 5.787 2.909 -14.194 24 HA LYS 5 HA LYS 5 2.859 2.896 -14.393 25 HB2 LYS 5 HB2 LYS 5 4.391 4.750 -15.215 26 HB3 LYS 5 HB3 LYS 5 4.949 3.654 -16.473 27 HG2 LYS 5 HG2 LYS 5 2.630 3.512 -17.328 28 HG3 LYS 5 HG3 LYS 5 2.138 4.648 -16.052 29 HD2 LYS 5 HD2 LYS 5 3.754 6.302 -17.001 30 HD3 LYS 5 HD3 LYS 5 4.101 5.140 -18.307 31 HE2 LYS 5 HE2 LYS 5 1.671 5.201 -18.897 32 HE3 LYS 5 HE3 LYS 5 1.445 6.472 -17.672 33 HZ1 LYS 5 HZ1 LYS 5 1.781 7.370 -19.892 34 HZ2 LYS 5 HZ2 LYS 5 3.269 6.675 -19.981 35 HZ3 LYS 5 HZ3 LYS 5 2.970 7.863 -18.884 36 H ALA 6 H ALA 6 1.647 1.449 -15.478 37 HA ALA 6 HA ALA 6 2.983 -0.962 -16.447 38 HB1 ALA 6 HB1 ALA 6 0.033 -0.070 -16.619 39 HB2 ALA 6 HB2 ALA 6 0.614 -1.726 -16.930 40 HB3 ALA 6 HB3 ALA 6 0.715 -0.997 -15.290 41 HA PRO 7 HA PRO 7 3.159 0.258 -20.795 42 HB2 PRO 7 HB2 PRO 7 2.679 -2.059 -22.148 43 HB3 PRO 7 HB3 PRO 7 4.184 -1.815 -21.228 44 HG2 PRO 7 HG2 PRO 7 1.708 -3.252 -20.448 45 HG3 PRO 7 HG3 PRO 7 3.441 -3.759 -20.362 46 HD2 PRO 7 HD2 PRO 7 2.097 -2.773 -18.182 47 HD3 PRO 7 HD3 PRO 7 3.842 -2.429 -18.433 48 H GLU 8 H GLU 8 1.830 0.533 -22.698 49 HA GLU 8 HA GLU 8 -0.884 1.154 -21.906 50 HB2 GLU 8 HB2 GLU 8 -0.989 2.424 -23.900 51 HB3 GLU 8 HB3 GLU 8 0.619 2.588 -23.240 52 HG2 GLU 8 HG2 GLU 8 -0.129 0.790 -25.570 53 HG3 GLU 8 HG3 GLU 8 0.576 2.384 -25.721 54 H SER 9 H SER 9 -2.774 0.764 -23.080 55 HA SER 9 HA SER 9 -2.913 -2.045 -24.022 56 HB2 SER 9 HB2 SER 9 -4.504 -1.014 -22.299 57 HB3 SER 9 HB3 SER 9 -5.180 -0.043 -23.621 58 HG SER 9 HG SER 9 -6.321 -1.997 -23.216 59 H ALA 10 H ALA 10 -4.726 -2.286 -25.830 60 HA ALA 10 HA ALA 10 -3.539 -1.305 -28.209 61 HB1 ALA 10 HB1 ALA 10 -5.474 -2.340 -29.354 62 HB2 ALA 10 HB2 ALA 10 -4.770 -3.408 -28.118 63 HB3 ALA 10 HB3 ALA 10 -6.302 -2.549 -27.773 64 H THR 11 H THR 11 -6.245 -0.009 -26.304 65 HA THR 11 HA THR 11 -7.422 1.577 -28.351 66 HB THR 11 HB THR 11 -7.357 2.283 -25.382 67 HG1 THR 11 HG1 THR 11 -9.341 0.666 -26.546 68 HG21 THR 11 HG21 THR 11 -8.461 3.918 -26.852 69 HG22 THR 11 HG22 THR 11 -9.648 3.092 -25.818 70 HG23 THR 11 HG23 THR 11 -9.504 2.633 -27.537 71 H GLU 12 H GLU 12 -4.880 2.258 -25.986 72 HA GLU 12 HA GLU 12 -4.515 5.008 -26.495 73 HB2 GLU 12 HB2 GLU 12 -2.523 2.866 -25.731 74 HB3 GLU 12 HB3 GLU 12 -2.097 4.564 -25.875 75 HG2 GLU 12 HG2 GLU 12 -2.466 4.390 -23.623 76 HG3 GLU 12 HG3 GLU 12 -4.039 4.914 -24.187 77 H LYS 13 H LYS 13 -3.270 2.194 -28.274 78 HA LYS 13 HA LYS 13 -1.413 3.652 -29.900 79 HB2 LYS 13 HB2 LYS 13 -2.896 1.071 -30.482 80 HB3 LYS 13 HB3 LYS 13 -1.458 1.640 -31.323 81 HG2 LYS 13 HG2 LYS 13 -0.137 1.466 -29.284 82 HG3 LYS 13 HG3 LYS 13 -1.576 1.032 -28.348 83 HD2 LYS 13 HD2 LYS 13 -1.871 -0.986 -29.767 84 HD3 LYS 13 HD3 LYS 13 -0.352 -0.592 -30.605 85 HE2 LYS 13 HE2 LYS 13 -0.635 -1.098 -27.607 86 HE3 LYS 13 HE3 LYS 13 -0.099 -2.311 -28.780 87 HZ1 LYS 13 HZ1 LYS 13 1.304 0.242 -28.309 88 HZ2 LYS 13 HZ2 LYS 13 1.840 -1.034 -29.225 89 HZ3 LYS 13 HZ3 LYS 13 1.710 -1.171 -27.564 90 H VAL 14 H VAL 14 -4.865 2.868 -30.356 91 HA VAL 14 HA VAL 14 -4.982 3.832 -33.083 92 HB VAL 14 HB VAL 14 -7.219 3.602 -30.977 93 HG11 VAL 14 HG11 VAL 14 -7.368 3.896 -34.004 94 HG12 VAL 14 HG12 VAL 14 -8.759 3.558 -32.913 95 HG13 VAL 14 HG13 VAL 14 -7.871 5.091 -32.773 96 HG21 VAL 14 HG21 VAL 14 -7.765 1.436 -32.077 97 HG22 VAL 14 HG22 VAL 14 -6.371 1.621 -33.166 98 HG23 VAL 14 HG23 VAL 14 -6.115 1.421 -31.420 99 H LEU 15 H LEU 15 -5.649 5.193 -29.831 100 HA LEU 15 HA LEU 15 -6.522 7.759 -30.726 101 HB2 LEU 15 HB2 LEU 15 -5.228 6.785 -28.179 102 HB3 LEU 15 HB3 LEU 15 -5.801 8.428 -28.407 103 HG LEU 15 HG LEU 15 -7.598 6.011 -28.775 104 HD11 LEU 15 HD11 LEU 15 -6.577 5.956 -26.569 105 HD12 LEU 15 HD12 LEU 15 -8.306 6.387 -26.470 106 HD13 LEU 15 HD13 LEU 15 -7.062 7.649 -26.288 107 HD21 LEU 15 HD21 LEU 15 -8.198 8.943 -28.142 108 HD22 LEU 15 HD22 LEU 15 -9.418 7.636 -28.311 109 HD23 LEU 15 HD23 LEU 15 -8.458 8.161 -29.714 110 H CYS 16 H CYS 16 -3.285 6.491 -29.961 111 HA CYS 16 HA CYS 16 -1.909 8.962 -30.245 112 HB2 CYS 16 HB2 CYS 16 -1.081 6.099 -30.800 113 HB3 CYS 16 HB3 CYS 16 0.041 7.450 -30.923 114 HG CYS 16 HG CYS 16 -1.650 6.412 -28.315 115 H ALA 17 H ALA 17 -2.755 6.502 -32.777 116 HA ALA 17 HA ALA 17 -1.407 7.972 -34.848 117 HB1 ALA 17 HB1 ALA 17 -2.696 6.524 -36.375 118 HB2 ALA 17 HB2 ALA 17 -2.019 5.564 -35.049 119 HB3 ALA 17 HB3 ALA 17 -3.748 5.989 -35.039 120 H LEU 18 H LEU 18 -4.749 8.007 -33.612 121 HA LEU 18 HA LEU 18 -5.737 9.805 -35.643 122 HB2 LEU 18 HB2 LEU 18 -6.624 9.194 -32.809 123 HB3 LEU 18 HB3 LEU 18 -7.519 10.313 -33.855 124 HG LEU 18 HG LEU 18 -7.106 7.334 -34.381 125 HD11 LEU 18 HD11 LEU 18 -9.547 7.255 -34.033 126 HD12 LEU 18 HD12 LEU 18 -9.544 8.976 -33.644 127 HD13 LEU 18 HD13 LEU 18 -8.687 7.834 -32.594 128 HD21 LEU 18 HD21 LEU 18 -8.802 7.896 -36.246 129 HD22 LEU 18 HD22 LEU 18 -7.138 8.405 -36.501 130 HD23 LEU 18 HD23 LEU 18 -8.342 9.579 -36.006 131 H TYR 19 H TYR 19 -4.025 10.370 -32.571 132 HA TYR 19 HA TYR 19 -4.448 13.237 -32.515 133 HB2 TYR 19 HB2 TYR 19 -2.401 11.330 -31.452 134 HB3 TYR 19 HB3 TYR 19 -1.971 13.020 -31.496 135 HD1 TYR 19 HD1 TYR 19 -5.297 11.396 -30.586 136 HD2 TYR 19 HD2 TYR 19 -1.902 13.746 -29.241 137 HE1 TYR 19 HE1 TYR 19 -6.353 11.698 -28.344 138 HE2 TYR 19 HE2 TYR 19 -3.005 14.012 -27.014 139 HH TYR 19 HH TYR 19 -6.187 12.658 -26.251 140 H ALA 20 H ALA 20 -2.012 11.150 -34.155 141 HA ALA 20 HA ALA 20 -0.408 13.299 -35.060 142 HB1 ALA 20 HB1 ALA 20 0.243 10.825 -35.028 143 HB2 ALA 20 HB2 ALA 20 -0.763 10.615 -36.470 144 HB3 ALA 20 HB3 ALA 20 0.648 11.688 -36.527 145 H GLU 21 H GLU 21 -3.258 11.726 -36.659 146 HA GLU 21 HA GLU 21 -2.757 13.114 -39.137 147 HB2 GLU 21 HB2 GLU 21 -4.889 12.202 -39.797 148 HB3 GLU 21 HB3 GLU 21 -3.971 10.945 -39.060 149 HG2 GLU 21 HG2 GLU 21 -5.314 11.242 -37.051 150 HG3 GLU 21 HG3 GLU 21 -6.239 12.509 -37.876 151 H ILE 22 H ILE 22 -4.423 13.857 -36.168 152 HA ILE 22 HA ILE 22 -5.964 16.036 -37.370 153 HB ILE 22 HB ILE 22 -5.523 15.054 -34.552 154 HG12 ILE 22 HG12 ILE 22 -6.838 13.672 -36.120 155 HG13 ILE 22 HG13 ILE 22 -7.767 14.105 -34.773 156 HG21 ILE 22 HG21 ILE 22 -7.234 17.421 -35.520 157 HG22 ILE 22 HG22 ILE 22 -7.570 16.592 -33.978 158 HG23 ILE 22 HG23 ILE 22 -6.022 17.416 -34.246 159 HD11 ILE 22 HD11 ILE 22 -7.952 15.421 -37.475 160 HD12 ILE 22 HD12 ILE 22 -9.028 14.183 -36.883 161 HD13 ILE 22 HD13 ILE 22 -9.022 15.739 -36.064 162 H LEU 23 H LEU 23 -3.122 15.691 -35.293 163 HA LEU 23 HA LEU 23 -2.901 18.629 -35.013 164 HB2 LEU 23 HB2 LEU 23 -1.180 16.343 -33.996 165 HB3 LEU 23 HB3 LEU 23 -0.921 18.037 -33.615 166 HG LEU 23 HG LEU 23 -3.555 16.607 -32.998 167 HD11 LEU 23 HD11 LEU 23 -2.746 16.173 -30.751 168 HD12 LEU 23 HD12 LEU 23 -1.140 16.846 -31.187 169 HD13 LEU 23 HD13 LEU 23 -1.730 15.339 -31.963 170 HD21 LEU 23 HD21 LEU 23 -3.768 18.368 -31.294 171 HD22 LEU 23 HD22 LEU 23 -3.582 19.082 -32.927 172 HD23 LEU 23 HD23 LEU 23 -2.190 19.048 -31.787 173 H GLY 24 H GLY 24 -1.667 16.110 -37.083 174 HA2 GLY 24 HA2 GLY 24 -0.418 16.359 -38.978 175 HA3 GLY 24 HA3 GLY 24 -0.254 18.083 -38.652 176 H VAL 25 H VAL 25 0.723 15.746 -36.211 177 HA VAL 25 HA VAL 25 3.475 16.790 -36.529 178 HB VAL 25 HB VAL 25 3.831 15.888 -34.233 179 HG11 VAL 25 HG11 VAL 25 1.418 17.703 -34.445 180 HG12 VAL 25 HG12 VAL 25 2.550 17.574 -33.075 181 HG13 VAL 25 HG13 VAL 25 3.104 18.222 -34.645 182 HG21 VAL 25 HG21 VAL 25 1.987 15.093 -32.885 183 HG22 VAL 25 HG22 VAL 25 0.851 15.306 -34.263 184 HG23 VAL 25 HG23 VAL 25 2.123 14.072 -34.330 185 H GLU 26 H GLU 26 5.294 15.411 -36.221 186 HA GLU 26 HA GLU 26 5.261 13.260 -38.073 187 HB2 GLU 26 HB2 GLU 26 7.186 14.784 -37.403 188 HB3 GLU 26 HB3 GLU 26 7.325 13.869 -35.905 189 HG2 GLU 26 HG2 GLU 26 7.644 11.798 -37.379 190 HG3 GLU 26 HG3 GLU 26 7.832 12.910 -38.738 191 H ARG 27 H ARG 27 5.293 13.316 -34.492 192 HA ARG 27 HA ARG 27 4.595 10.425 -34.424 193 HB2 ARG 27 HB2 ARG 27 7.023 11.757 -33.194 194 HB3 ARG 27 HB3 ARG 27 6.248 10.348 -32.426 195 HG2 ARG 27 HG2 ARG 27 6.648 8.999 -34.361 196 HG3 ARG 27 HG3 ARG 27 7.311 10.322 -35.283 197 HD2 ARG 27 HD2 ARG 27 8.544 9.573 -32.685 198 HD3 ARG 27 HD3 ARG 27 8.970 8.752 -34.196 199 HE ARG 27 HE ARG 27 9.283 11.341 -34.897 200 HH11 ARG 27 HH11 ARG 27 10.536 9.605 -32.075 201 HH12 ARG 27 HH12 ARG 27 11.962 10.611 -32.009 202 HH21 ARG 27 HH21 ARG 27 11.063 12.549 -34.732 203 HH22 ARG 27 HH22 ARG 27 12.244 12.254 -33.464 204 H VAL 28 H VAL 28 3.788 9.809 -32.358 205 HA VAL 28 HA VAL 28 2.930 12.050 -30.556 206 HB VAL 28 HB VAL 28 1.114 9.740 -31.413 207 HG11 VAL 28 HG11 VAL 28 0.698 10.420 -29.125 208 HG12 VAL 28 HG12 VAL 28 0.619 12.115 -29.589 209 HG13 VAL 28 HG13 VAL 28 -0.641 10.978 -30.144 210 HG21 VAL 28 HG21 VAL 28 -0.241 11.394 -32.558 211 HG22 VAL 28 HG22 VAL 28 0.866 12.687 -32.072 212 HG23 VAL 28 HG23 VAL 28 1.403 11.428 -33.234 213 H GLY 29 H GLY 29 3.618 11.599 -28.569 214 HA2 GLY 29 HA2 GLY 29 4.419 8.826 -27.854 215 HA3 GLY 29 HA3 GLY 29 4.687 10.300 -26.903 216 H VAL 30 H VAL 30 3.600 7.892 -25.802 217 HA VAL 30 HA VAL 30 0.745 7.972 -25.750 218 HB VAL 30 HB VAL 30 0.958 6.574 -23.685 219 HG11 VAL 30 HG11 VAL 30 1.806 4.595 -24.865 220 HG12 VAL 30 HG12 VAL 30 0.733 5.580 -25.880 221 HG13 VAL 30 HG13 VAL 30 2.499 5.657 -26.120 222 HG21 VAL 30 HG21 VAL 30 3.954 6.677 -24.243 223 HG22 VAL 30 HG22 VAL 30 3.154 7.536 -22.919 224 HG23 VAL 30 HG23 VAL 30 3.141 5.751 -22.970 225 H ASP 31 H ASP 31 3.045 10.017 -24.295 226 HA ASP 31 HA ASP 31 0.978 10.988 -22.336 227 HB2 ASP 31 HB2 ASP 31 3.646 10.118 -21.957 228 HB3 ASP 31 HB3 ASP 31 3.638 11.854 -21.701 229 H ASP 32 H ASP 32 1.614 11.724 -25.307 230 HA ASP 32 HA ASP 32 2.832 14.363 -25.047 231 HB2 ASP 32 HB2 ASP 32 1.931 12.625 -27.243 232 HB3 ASP 32 HB3 ASP 32 1.548 14.317 -27.501 233 H ALA 33 H ALA 33 1.900 16.331 -24.954 234 HA ALA 33 HA ALA 33 -0.901 16.344 -24.105 235 HB1 ALA 33 HB1 ALA 33 1.202 18.567 -24.374 236 HB2 ALA 33 HB2 ALA 33 -0.387 18.764 -23.625 237 HB3 ALA 33 HB3 ALA 33 0.791 17.663 -22.895 238 H PHE 34 H PHE 34 -2.501 16.480 -25.488 239 HA PHE 34 HA PHE 34 -2.308 16.952 -28.227 240 HB2 PHE 34 HB2 PHE 34 -4.272 16.018 -27.024 241 HB3 PHE 34 HB3 PHE 34 -4.639 17.620 -26.408 242 HD1 PHE 34 HD2 PHE 34 -5.586 19.355 -27.881 243 HD2 PHE 34 HD1 PHE 34 -4.671 15.439 -29.405 244 HE1 PHE 34 HE2 PHE 34 -6.986 19.833 -29.888 245 HE2 PHE 34 HE1 PHE 34 -6.075 15.895 -31.427 246 HZ PHE 34 HZ PHE 34 -7.240 18.097 -31.668 247 H HIS 35 H HIS 35 -2.811 19.443 -25.671 248 HA HIS 35 HA HIS 35 -3.324 21.521 -27.625 249 HB2 HIS 35 HB2 HIS 35 -3.110 23.063 -25.657 250 HB3 HIS 35 HB3 HIS 35 -4.335 21.789 -25.507 251 HD1 HIS 35 HD1 HIS 35 -4.226 20.358 -23.427 252 HD2 HIS 35 HD2 HIS 35 -0.665 22.373 -24.175 253 HE1 HIS 35 HE1 HIS 35 -2.721 19.968 -21.415 254 H ASP 36 H ASP 36 -0.368 20.288 -26.148 255 HA ASP 36 HA ASP 36 1.172 22.714 -26.644 256 HB2 ASP 36 HB2 ASP 36 1.658 20.894 -24.909 257 HB3 ASP 36 HB3 ASP 36 2.218 19.894 -26.268 258 H LEU 37 H LEU 37 0.507 19.677 -28.245 259 HA LEU 37 HA LEU 37 2.347 20.028 -30.439 260 HB2 LEU 37 HB2 LEU 37 0.173 18.154 -29.603 261 HB3 LEU 37 HB3 LEU 37 0.629 18.164 -31.314 262 HG LEU 37 HG LEU 37 2.878 17.507 -30.789 263 HD11 LEU 37 HD11 LEU 37 3.267 18.518 -28.592 264 HD12 LEU 37 HD12 LEU 37 3.491 16.766 -28.501 265 HD13 LEU 37 HD13 LEU 37 2.013 17.505 -27.859 266 HD21 LEU 37 HD21 LEU 37 2.386 15.251 -30.041 267 HD22 LEU 37 HD22 LEU 37 1.054 15.835 -31.070 268 HD23 LEU 37 HD23 LEU 37 0.856 15.786 -29.306 269 H GLY 38 H GLY 38 0.338 22.262 -29.938 270 HA2 GLY 38 HA2 GLY 38 -0.507 23.806 -31.465 271 HA3 GLY 38 HA3 GLY 38 -0.408 22.578 -32.745 272 H GLY 39 H GLY 39 -2.006 21.535 -29.875 273 HA2 GLY 39 HA2 GLY 39 -4.410 21.018 -31.278 274 HA3 GLY 39 HA3 GLY 39 -4.189 20.920 -29.532 275 H SER 40 H SER 40 -6.491 21.752 -31.045 276 HA SER 40 HA SER 40 -6.906 24.416 -29.804 277 HB2 SER 40 HB2 SER 40 -7.598 23.709 -32.683 278 HB3 SER 40 HB3 SER 40 -8.044 25.213 -31.834 279 HG SER 40 HG SER 40 -5.362 24.615 -31.717 280 H SER 41 H SER 41 -9.281 24.839 -29.537 281 HA SER 41 HA SER 41 -10.697 22.509 -28.708 282 HB2 SER 41 HB2 SER 41 -11.192 24.831 -27.912 283 HB3 SER 41 HB3 SER 41 -11.844 25.216 -29.517 284 HG SER 41 HG SER 41 -13.413 23.513 -29.163 285 H ALA 42 H ALA 42 -10.679 24.291 -31.784 286 HA ALA 42 HA ALA 42 -12.842 22.869 -32.990 287 HB1 ALA 42 HB1 ALA 42 -11.921 25.015 -33.862 288 HB2 ALA 42 HB2 ALA 42 -10.401 24.171 -34.274 289 HB3 ALA 42 HB3 ALA 42 -11.918 23.741 -35.101 290 H LEU 43 H LEU 43 -9.343 22.178 -32.794 291 HA LEU 43 HA LEU 43 -9.489 19.932 -34.612 292 HB2 LEU 43 HB2 LEU 43 -7.437 20.678 -32.496 293 HB3 LEU 43 HB3 LEU 43 -7.257 19.410 -33.680 294 HG LEU 43 HG LEU 43 -7.451 22.365 -34.311 295 HD11 LEU 43 HD11 LEU 43 -5.116 22.175 -34.933 296 HD12 LEU 43 HD12 LEU 43 -5.138 20.429 -34.536 297 HD13 LEU 43 HD13 LEU 43 -5.328 21.664 -33.262 298 HD21 LEU 43 HD21 LEU 43 -6.939 20.015 -36.182 299 HD22 LEU 43 HD22 LEU 43 -6.826 21.732 -36.607 300 HD23 LEU 43 HD23 LEU 43 -8.390 21.049 -36.157 301 H ALA 44 H ALA 44 -9.885 20.385 -31.116 302 HA ALA 44 HA ALA 44 -9.794 17.621 -30.408 303 HB1 ALA 44 HB1 ALA 44 -11.429 19.866 -29.142 304 HB2 ALA 44 HB2 ALA 44 -11.015 18.310 -28.411 305 HB3 ALA 44 HB3 ALA 44 -9.711 19.472 -28.780 306 H MET 45 H MET 45 -12.464 19.728 -31.554 307 HA MET 45 HA MET 45 -14.497 17.748 -31.351 308 HB2 MET 45 HB2 MET 45 -14.218 20.168 -33.168 309 HB3 MET 45 HB3 MET 45 -15.652 19.137 -33.095 310 HG2 MET 45 HG2 MET 45 -14.519 20.650 -30.712 311 HG3 MET 45 HG3 MET 45 -15.877 21.175 -31.683 312 HE1 MET 45 HE1 MET 45 -18.752 18.627 -30.758 313 HE2 MET 45 HE2 MET 45 -18.355 20.129 -31.627 314 HE3 MET 45 HE3 MET 45 -17.710 18.580 -32.191 315 H ARG 46 H ARG 46 -12.132 18.535 -33.884 316 HA ARG 46 HA ARG 46 -13.189 16.732 -35.866 317 HB2 ARG 46 HB2 ARG 46 -10.553 18.078 -35.428 318 HB3 ARG 46 HB3 ARG 46 -10.740 16.889 -36.708 319 HG2 ARG 46 HG2 ARG 46 -12.420 18.189 -37.781 320 HG3 ARG 46 HG3 ARG 46 -12.438 19.386 -36.451 321 HD2 ARG 46 HD2 ARG 46 -10.188 20.066 -36.911 322 HD3 ARG 46 HD3 ARG 46 -9.964 18.591 -37.892 323 HE ARG 46 HE ARG 46 -12.058 20.062 -39.094 324 HH11 ARG 46 HH11 ARG 46 -8.547 20.444 -38.559 325 HH12 ARG 46 HH12 ARG 46 -8.365 21.500 -39.928 326 HH21 ARG 46 HH21 ARG 46 -11.691 21.407 -40.901 327 HH22 ARG 46 HH22 ARG 46 -10.081 22.004 -41.209 328 H LEU 47 H LEU 47 -10.740 16.401 -33.375 329 HA LEU 47 HA LEU 47 -9.906 13.753 -34.037 330 HB2 LEU 47 HB2 LEU 47 -8.759 15.227 -32.378 331 HB3 LEU 47 HB3 LEU 47 -10.152 15.052 -31.343 332 HG LEU 47 HG LEU 47 -9.687 12.595 -31.150 333 HD11 LEU 47 HD11 LEU 47 -8.367 12.262 -33.179 334 HD12 LEU 47 HD12 LEU 47 -7.413 11.833 -31.734 335 HD13 LEU 47 HD13 LEU 47 -7.108 13.378 -32.562 336 HD21 LEU 47 HD21 LEU 47 -7.921 12.869 -29.595 337 HD22 LEU 47 HD22 LEU 47 -8.965 14.304 -29.512 338 HD23 LEU 47 HD23 LEU 47 -7.387 14.371 -30.357 339 H ILE 48 H ILE 48 -12.536 14.873 -31.890 340 HA ILE 48 HA ILE 48 -13.364 12.282 -31.029 341 HB ILE 48 HB ILE 48 -14.900 14.890 -31.407 342 HG12 ILE 48 HG12 ILE 48 -14.060 13.546 -28.823 343 HG13 ILE 48 HG13 ILE 48 -12.953 14.591 -29.710 344 HG21 ILE 48 HG21 ILE 48 -16.650 13.872 -29.910 345 HG22 ILE 48 HG22 ILE 48 -16.556 13.065 -31.483 346 HG23 ILE 48 HG23 ILE 48 -15.824 12.321 -30.039 347 HD11 ILE 48 HD11 ILE 48 -15.647 15.446 -28.556 348 HD12 ILE 48 HD12 ILE 48 -14.023 15.861 -27.968 349 HD13 ILE 48 HD13 ILE 48 -14.555 16.499 -29.551 350 H ALA 49 H ALA 49 -14.148 14.139 -33.973 351 HA ALA 49 HA ALA 49 -16.218 12.415 -34.844 352 HB1 ALA 49 HB1 ALA 49 -14.244 14.009 -36.568 353 HB2 ALA 49 HB2 ALA 49 -15.865 13.443 -37.050 354 HB3 ALA 49 HB3 ALA 49 -15.684 14.703 -35.804 355 H ARG 50 H ARG 50 -12.647 12.279 -35.375 356 HA ARG 50 HA ARG 50 -12.762 10.035 -37.137 357 HB2 ARG 50 HB2 ARG 50 -10.574 11.006 -35.262 358 HB3 ARG 50 HB3 ARG 50 -10.384 9.916 -36.608 359 HG2 ARG 50 HG2 ARG 50 -11.272 12.767 -36.843 360 HG3 ARG 50 HG3 ARG 50 -9.630 12.196 -37.101 361 HD2 ARG 50 HD2 ARG 50 -10.237 10.992 -39.053 362 HD3 ARG 50 HD3 ARG 50 -11.951 11.128 -38.683 363 HE ARG 50 HE ARG 50 -12.023 13.249 -39.570 364 HH11 ARG 50 HH11 ARG 50 -8.605 12.296 -39.381 365 HH12 ARG 50 HH12 ARG 50 -8.077 13.703 -40.268 366 HH21 ARG 50 HH21 ARG 50 -11.278 14.993 -40.730 367 HH22 ARG 50 HH22 ARG 50 -9.586 15.186 -41.078 368 H ILE 51 H ILE 51 -12.673 10.360 -33.610 369 HA ILE 51 HA ILE 51 -11.998 7.636 -33.010 370 HB ILE 51 HB ILE 51 -13.631 9.668 -31.398 371 HG12 ILE 51 HG12 ILE 51 -10.797 8.613 -30.984 372 HG13 ILE 51 HG13 ILE 51 -11.145 10.088 -31.895 373 HG21 ILE 51 HG21 ILE 51 -12.609 6.912 -30.684 374 HG22 ILE 51 HG22 ILE 51 -13.113 8.100 -29.460 375 HG23 ILE 51 HG23 ILE 51 -14.302 7.490 -30.654 376 HD11 ILE 51 HD11 ILE 51 -12.226 11.048 -29.810 377 HD12 ILE 51 HD12 ILE 51 -11.664 9.624 -28.921 378 HD13 ILE 51 HD13 ILE 51 -10.491 10.730 -29.643 379 H ARG 52 H ARG 52 -15.060 9.190 -34.014 380 HA ARG 52 HA ARG 52 -16.724 6.953 -33.314 381 HB2 ARG 52 HB2 ARG 52 -17.168 8.912 -35.561 382 HB3 ARG 52 HB3 ARG 52 -18.347 7.860 -34.774 383 HG2 ARG 52 HG2 ARG 52 -18.049 9.053 -32.675 384 HG3 ARG 52 HG3 ARG 52 -16.866 10.126 -33.461 385 HD2 ARG 52 HD2 ARG 52 -18.633 10.662 -35.156 386 HD3 ARG 52 HD3 ARG 52 -19.799 9.802 -34.135 387 HE ARG 52 HE ARG 52 -19.199 11.441 -32.309 388 HH11 ARG 52 HH11 ARG 52 -18.784 12.431 -35.691 389 HH12 ARG 52 HH12 ARG 52 -18.976 14.112 -35.295 390 HH21 ARG 52 HH21 ARG 52 -19.425 13.510 -31.884 391 HH22 ARG 52 HH22 ARG 52 -19.320 14.737 -33.152 392 H GLU 53 H GLU 53 -14.594 7.579 -36.062 393 HA GLU 53 HA GLU 53 -15.841 5.509 -37.696 394 HB2 GLU 53 HB2 GLU 53 -13.174 6.973 -37.987 395 HB3 GLU 53 HB3 GLU 53 -13.918 5.927 -39.209 396 HG2 GLU 53 HG2 GLU 53 -15.819 7.498 -39.431 397 HG3 GLU 53 HG3 GLU 53 -15.159 8.490 -38.136 398 H GLU 54 H GLU 54 -13.015 5.950 -35.604 399 HA GLU 54 HA GLU 54 -11.947 3.306 -36.259 400 HB2 GLU 54 HB2 GLU 54 -11.143 5.515 -34.348 401 HB3 GLU 54 HB3 GLU 54 -10.327 3.968 -34.376 402 HG2 GLU 54 HG2 GLU 54 -10.592 5.686 -36.827 403 HG3 GLU 54 HG3 GLU 54 -9.205 5.770 -35.720 404 H LEU 55 H LEU 55 -13.289 4.736 -33.247 405 HA LEU 55 HA LEU 55 -13.191 1.990 -32.043 406 HB2 LEU 55 HB2 LEU 55 -13.706 4.652 -30.701 407 HB3 LEU 55 HB3 LEU 55 -13.416 3.129 -29.924 408 HG LEU 55 HG LEU 55 -11.379 4.796 -31.397 409 HD11 LEU 55 HD11 LEU 55 -11.531 3.966 -28.502 410 HD12 LEU 55 HD12 LEU 55 -12.122 5.503 -29.113 411 HD13 LEU 55 HD13 LEU 55 -10.399 5.118 -29.211 412 HD21 LEU 55 HD21 LEU 55 -10.708 2.489 -31.757 413 HD22 LEU 55 HD22 LEU 55 -10.997 2.086 -30.059 414 HD23 LEU 55 HD23 LEU 55 -9.666 3.207 -30.503 415 H GLY 56 H GLY 56 -15.290 3.998 -33.627 416 HA2 GLY 56 HA2 GLY 56 -17.543 3.716 -34.006 417 HA3 GLY 56 HA3 GLY 56 -17.499 2.255 -33.012 418 H VAL 57 H VAL 57 -16.522 5.283 -31.536 419 HA VAL 57 HA VAL 57 -19.178 5.457 -30.208 420 HB VAL 57 HB VAL 57 -18.008 5.710 -27.973 421 HG11 VAL 57 HG11 VAL 57 -19.020 3.524 -28.743 422 HG12 VAL 57 HG12 VAL 57 -17.379 3.003 -29.230 423 HG13 VAL 57 HG13 VAL 57 -17.754 3.362 -27.508 424 HG21 VAL 57 HG21 VAL 57 -15.698 4.975 -27.668 425 HG22 VAL 57 HG22 VAL 57 -15.565 4.573 -29.387 426 HG23 VAL 57 HG23 VAL 57 -15.728 6.261 -28.879 427 H ASP 58 H ASP 58 -19.603 7.434 -29.131 428 HA ASP 58 HA ASP 58 -18.080 9.691 -30.244 429 HB2 ASP 58 HB2 ASP 58 -20.580 9.702 -30.284 430 HB3 ASP 58 HB3 ASP 58 -20.563 9.729 -28.513 431 H LEU 59 H LEU 59 -16.258 10.144 -29.195 432 HA LEU 59 HA LEU 59 -15.983 9.621 -26.339 433 HB2 LEU 59 HB2 LEU 59 -14.212 9.239 -27.917 434 HB3 LEU 59 HB3 LEU 59 -14.184 10.932 -28.377 435 HG LEU 59 HG LEU 59 -12.355 9.850 -26.833 436 HD11 LEU 59 HD11 LEU 59 -13.557 12.585 -26.412 437 HD12 LEU 59 HD12 LEU 59 -12.327 12.109 -27.606 438 HD13 LEU 59 HD13 LEU 59 -11.933 12.097 -25.884 439 HD21 LEU 59 HD21 LEU 59 -14.135 10.884 -24.664 440 HD22 LEU 59 HD22 LEU 59 -12.544 10.102 -24.528 441 HD23 LEU 59 HD23 LEU 59 -13.961 9.158 -25.044 442 HA PRO 60 HA PRO 60 -17.768 13.682 -25.507 443 HB2 PRO 60 HB2 PRO 60 -17.312 13.644 -22.736 444 HB3 PRO 60 HB3 PRO 60 -18.713 12.946 -23.573 445 HG2 PRO 60 HG2 PRO 60 -16.134 11.658 -22.691 446 HG3 PRO 60 HG3 PRO 60 -17.792 11.041 -22.429 447 HD2 PRO 60 HD2 PRO 60 -16.134 10.140 -24.361 448 HD3 PRO 60 HD3 PRO 60 -17.927 10.314 -24.658 449 H ILE 61 H ILE 61 -16.873 15.693 -25.601 450 HA ILE 61 HA ILE 61 -14.056 15.971 -25.633 451 HB ILE 61 HB ILE 61 -15.782 17.433 -26.825 452 HG12 ILE 61 HG12 ILE 61 -13.633 18.945 -25.346 453 HG13 ILE 61 HG13 ILE 61 -13.290 17.798 -26.627 454 HG21 ILE 61 HG21 ILE 61 -16.675 19.376 -25.679 455 HG22 ILE 61 HG22 ILE 61 -17.159 17.928 -24.808 456 HG23 ILE 61 HG23 ILE 61 -15.845 18.933 -24.162 457 HD11 ILE 61 HD11 ILE 61 -14.533 19.160 -28.242 458 HD12 ILE 61 HD12 ILE 61 -14.943 20.319 -26.972 459 HD13 ILE 61 HD13 ILE 61 -13.240 20.081 -27.462 460 H ARG 62 H ARG 62 -16.302 16.103 -22.955 461 HA ARG 62 HA ARG 62 -14.672 17.591 -21.134 462 HB2 ARG 62 HB2 ARG 62 -17.050 16.896 -20.646 463 HB3 ARG 62 HB3 ARG 62 -16.506 15.226 -20.454 464 HG2 ARG 62 HG2 ARG 62 -15.275 15.758 -18.424 465 HG3 ARG 62 HG3 ARG 62 -15.300 17.470 -18.814 466 HD2 ARG 62 HD2 ARG 62 -16.836 17.181 -17.070 467 HD3 ARG 62 HD3 ARG 62 -17.795 17.454 -18.521 468 HE ARG 62 HE ARG 62 -17.594 14.692 -18.301 469 HH11 ARG 62 HH11 ARG 62 -18.834 17.263 -16.248 470 HH12 ARG 62 HH12 ARG 62 -20.046 16.237 -15.531 471 HH21 ARG 62 HH21 ARG 62 -19.143 13.447 -17.366 472 HH22 ARG 62 HH22 ARG 62 -20.165 14.096 -16.097 473 H GLN 63 H GLN 63 -14.479 14.277 -22.328 474 HA GLN 63 HA GLN 63 -12.679 13.306 -20.272 475 HB2 GLN 63 HB2 GLN 63 -14.101 12.231 -22.468 476 HB3 GLN 63 HB3 GLN 63 -12.315 11.854 -22.700 477 HG2 GLN 63 HG2 GLN 63 -13.538 10.119 -21.381 478 HG3 GLN 63 HG3 GLN 63 -12.223 10.859 -20.499 479 HE21 GLN 63 HE21 GLN 63 -15.797 10.858 -20.899 480 HE22 GLN 63 HE22 GLN 63 -16.135 11.465 -19.301 481 H LEU 64 H LEU 64 -12.279 14.749 -23.533 482 HA LEU 64 HA LEU 64 -9.410 14.442 -23.572 483 HB2 LEU 64 HB2 LEU 64 -11.417 16.144 -25.029 484 HB3 LEU 64 HB3 LEU 64 -9.699 16.519 -25.168 485 HG LEU 64 HG LEU 64 -10.825 13.770 -25.770 486 HD11 LEU 64 HD11 LEU 64 -11.876 15.496 -27.251 487 HD12 LEU 64 HD12 LEU 64 -10.808 14.435 -28.146 488 HD13 LEU 64 HD13 LEU 64 -10.246 16.049 -27.723 489 HD21 LEU 64 HD21 LEU 64 -8.185 15.130 -26.519 490 HD22 LEU 64 HD22 LEU 64 -8.711 13.525 -27.072 491 HD23 LEU 64 HD23 LEU 64 -8.410 13.796 -25.356 492 H PHE 65 H PHE 65 -11.594 17.083 -22.480 493 HA PHE 65 HA PHE 65 -9.412 18.880 -21.901 494 HB2 PHE 65 HB2 PHE 65 -12.232 18.762 -20.744 495 HB3 PHE 65 HB3 PHE 65 -11.068 20.059 -20.412 496 HD1 PHE 65 HD2 PHE 65 -10.072 19.759 -23.576 497 HD2 PHE 65 HD1 PHE 65 -13.740 20.564 -21.488 498 HE1 PHE 65 HE2 PHE 65 -10.905 20.975 -25.561 499 HE2 PHE 65 HE1 PHE 65 -14.594 21.803 -23.466 500 HZ PHE 65 HZ PHE 65 -13.186 22.026 -25.510 501 H SER 66 H SER 66 -10.952 16.295 -20.065 502 HA SER 66 HA SER 66 -9.716 17.051 -17.531 503 HB2 SER 66 HB2 SER 66 -11.886 15.831 -17.641 504 HB3 SER 66 HB3 SER 66 -11.049 14.446 -18.342 505 HG SER 66 HG SER 66 -9.789 14.395 -16.398 506 H SER 67 H SER 67 -8.915 15.105 -20.296 507 HA SER 67 HA SER 67 -6.263 14.505 -19.075 508 HB2 SER 67 HB2 SER 67 -8.113 12.362 -20.221 509 HB3 SER 67 HB3 SER 67 -6.414 12.125 -19.770 510 HG SER 67 HG SER 67 -7.645 13.295 -17.731 511 HA PRO 68 HA PRO 68 -6.165 15.754 -23.465 512 HB2 PRO 68 HB2 PRO 68 -4.158 17.578 -23.374 513 HB3 PRO 68 HB3 PRO 68 -5.778 17.930 -22.695 514 HG2 PRO 68 HG2 PRO 68 -3.312 16.937 -21.272 515 HG3 PRO 68 HG3 PRO 68 -4.336 18.361 -20.887 516 HD2 PRO 68 HD2 PRO 68 -4.655 15.971 -19.645 517 HD3 PRO 68 HD3 PRO 68 -6.046 17.036 -20.036 518 H THR 69 H THR 69 -4.466 13.476 -22.093 519 HA THR 69 HA THR 69 -2.330 13.403 -24.189 520 HB THR 69 HB THR 69 -1.167 11.766 -22.699 521 HG1 THR 69 HG1 THR 69 -1.900 11.704 -20.516 522 HG21 THR 69 HG21 THR 69 -0.576 14.219 -22.667 523 HG22 THR 69 HG22 THR 69 -0.330 13.418 -21.096 524 HG23 THR 69 HG23 THR 69 -1.767 14.455 -21.343 525 HA PRO 70 HA PRO 70 -4.673 10.137 -25.770 526 HB2 PRO 70 HB2 PRO 70 -2.914 8.394 -26.870 527 HB3 PRO 70 HB3 PRO 70 -3.201 10.014 -27.553 528 HG2 PRO 70 HG2 PRO 70 -1.047 9.131 -25.721 529 HG3 PRO 70 HG3 PRO 70 -0.932 10.034 -27.274 530 HD2 PRO 70 HD2 PRO 70 -0.831 11.293 -24.882 531 HD3 PRO 70 HD3 PRO 70 -1.707 12.001 -26.287 532 H ALA 71 H ALA 71 -2.012 9.004 -23.583 533 HA ALA 71 HA ALA 71 -3.367 6.496 -22.996 534 HB1 ALA 71 HB1 ALA 71 -0.925 6.788 -22.728 535 HB2 ALA 71 HB2 ALA 71 -1.175 8.029 -21.488 536 HB3 ALA 71 HB3 ALA 71 -1.668 6.331 -21.177 537 H GLY 72 H GLY 72 -3.521 9.785 -21.774 538 HA2 GLY 72 HA2 GLY 72 -4.727 9.089 -19.251 539 HA3 GLY 72 HA3 GLY 72 -4.682 10.699 -19.992 540 H VAL 73 H VAL 73 -5.960 10.420 -22.365 541 HA VAL 73 HA VAL 73 -8.655 10.380 -21.462 542 HB VAL 73 HB VAL 73 -7.720 11.709 -23.429 543 HG11 VAL 73 HG11 VAL 73 -7.703 10.779 -25.649 544 HG12 VAL 73 HG12 VAL 73 -6.617 9.819 -24.596 545 HG13 VAL 73 HG13 VAL 73 -8.241 9.195 -25.032 546 HG21 VAL 73 HG21 VAL 73 -10.065 11.621 -22.893 547 HG22 VAL 73 HG22 VAL 73 -9.813 11.706 -24.674 548 HG23 VAL 73 HG23 VAL 73 -10.255 10.125 -23.909 549 H ALA 74 H ALA 74 -6.673 7.836 -22.997 550 HA ALA 74 HA ALA 74 -8.779 6.065 -23.689 551 HB1 ALA 74 HB1 ALA 74 -6.353 5.744 -24.229 552 HB2 ALA 74 HB2 ALA 74 -6.054 5.369 -22.517 553 HB3 ALA 74 HB3 ALA 74 -7.105 4.320 -23.489 554 H ARG 75 H ARG 75 -7.071 6.382 -20.552 555 HA ARG 75 HA ARG 75 -8.735 4.289 -19.393 556 HB2 ARG 75 HB2 ARG 75 -6.948 6.292 -17.985 557 HB3 ARG 75 HB3 ARG 75 -7.629 4.823 -17.306 558 HG2 ARG 75 HG2 ARG 75 -6.462 3.638 -19.358 559 HG3 ARG 75 HG3 ARG 75 -5.424 5.075 -19.293 560 HD2 ARG 75 HD2 ARG 75 -6.004 3.156 -17.046 561 HD3 ARG 75 HD3 ARG 75 -4.497 3.249 -17.981 562 HE ARG 75 HE ARG 75 -4.958 5.797 -16.879 563 HH11 ARG 75 HH11 ARG 75 -4.319 2.552 -15.661 564 HH12 ARG 75 HH12 ARG 75 -3.566 3.130 -14.203 565 HH21 ARG 75 HH21 ARG 75 -3.931 6.491 -14.984 566 HH22 ARG 75 HH22 ARG 75 -3.314 5.313 -13.849 567 H ALA 76 H ALA 76 -8.821 7.815 -19.538 568 HA ALA 76 HA ALA 76 -10.764 8.131 -17.438 569 HB1 ALA 76 HB1 ALA 76 -10.168 9.889 -19.852 570 HB2 ALA 76 HB2 ALA 76 -11.071 10.383 -18.390 571 HB3 ALA 76 HB3 ALA 76 -9.351 9.961 -18.277 572 H LEU 77 H LEU 77 -11.067 7.600 -20.975 573 HA LEU 77 HA LEU 77 -13.971 7.861 -20.834 574 HB2 LEU 77 HB2 LEU 77 -13.978 7.363 -23.142 575 HB3 LEU 77 HB3 LEU 77 -12.633 8.424 -22.823 576 HG LEU 77 HG LEU 77 -11.284 6.155 -22.816 577 HD11 LEU 77 HD11 LEU 77 -12.081 4.493 -24.418 578 HD12 LEU 77 HD12 LEU 77 -13.598 5.414 -24.670 579 HD13 LEU 77 HD13 LEU 77 -13.267 4.645 -23.088 580 HD21 LEU 77 HD21 LEU 77 -12.308 7.415 -25.356 581 HD22 LEU 77 HD22 LEU 77 -10.816 6.450 -25.182 582 HD23 LEU 77 HD23 LEU 77 -10.939 8.006 -24.353 583 H ALA 78 H ALA 78 -11.662 5.181 -20.535 584 HA ALA 78 HA ALA 78 -13.553 3.063 -20.832 585 HB1 ALA 78 HB1 ALA 78 -11.915 1.709 -19.591 586 HB2 ALA 78 HB2 ALA 78 -11.104 2.728 -20.802 587 HB3 ALA 78 HB3 ALA 78 -11.053 3.193 -19.078 588 H ALA 79 H ALA 79 -12.809 5.201 -18.120 589 HA ALA 79 HA ALA 79 -14.149 3.736 -16.054 590 HB1 ALA 79 HB1 ALA 79 -12.479 5.525 -15.642 591 HB2 ALA 79 HB2 ALA 79 -13.614 6.704 -16.299 592 HB3 ALA 79 HB3 ALA 79 -14.047 5.825 -14.825 593 H LYS 80 H LYS 80 -15.385 5.596 -18.705 594 HA LYS 80 HA LYS 80 -17.830 6.542 -17.595 595 HB2 LYS 80 HB2 LYS 80 -16.908 7.138 -19.835 596 HB3 LYS 80 HB3 LYS 80 -17.258 5.504 -20.391 597 HG2 LYS 80 HG2 LYS 80 -19.699 5.933 -19.974 598 HG3 LYS 80 HG3 LYS 80 -19.292 7.634 -19.595 599 HD2 LYS 80 HD2 LYS 80 -18.324 7.870 -21.868 600 HD3 LYS 80 HD3 LYS 80 -18.726 6.174 -22.233 601 HE2 LYS 80 HE2 LYS 80 -21.142 6.709 -21.762 602 HE3 LYS 80 HE3 LYS 80 -20.684 8.415 -21.595 603 HZ1 LYS 80 HZ1 LYS 80 -20.360 6.769 -24.043 604 HZ2 LYS 80 HZ2 LYS 80 -19.907 8.349 -23.923 605 HZ3 LYS 80 HZ3 LYS 80 -21.504 7.944 -23.826 606 H SER 81 H SER 81 -16.810 3.300 -18.500 607 HA SER 81 HA SER 81 -19.342 2.128 -18.918 608 HB2 SER 81 HB2 SER 81 -16.847 0.872 -17.767 609 HB3 SER 81 HB3 SER 81 -18.170 0.007 -18.571 610 HG SER 81 HG SER 81 -16.025 1.163 -19.654 611 H ALA 82 H ALA 82 -17.583 2.884 -15.934 612 HA ALA 82 HA ALA 82 -19.237 1.220 -14.245 613 HB1 ALA 82 HB1 ALA 82 -18.156 2.517 -12.415 614 HB2 ALA 82 HB2 ALA 82 -16.965 1.952 -13.614 615 HB3 ALA 82 HB3 ALA 82 -17.470 3.646 -13.592 616 H SER 83 H SER 83 -19.425 4.466 -15.584 617 HA SER 83 HA SER 83 -21.569 5.232 -13.724 618 HB2 SER 83 HB2 SER 83 -20.463 6.819 -16.071 619 HB3 SER 83 HB3 SER 83 -21.283 7.439 -14.614 620 HG SER 83 HG SER 83 -19.260 7.671 -13.969 621 H TRP 84 H TRP 84 -21.849 3.163 -16.066 622 HA TRP 84 HA TRP 84 -23.749 4.546 -17.841 623 HB2 TRP 84 HB2 TRP 84 -22.098 2.396 -18.128 624 HB3 TRP 84 HB3 TRP 84 -23.605 1.569 -17.789 625 HD1 TRP 84 HD1 TRP 84 -25.695 2.187 -19.550 626 HE1 TRP 84 HE1 TRP 84 -25.668 2.732 -22.042 627 HE3 TRP 84 HE3 TRP 84 -20.768 3.471 -19.946 628 HZ2 TRP 84 HZ2 TRP 84 -23.751 3.573 -23.989 629 HZ3 TRP 84 HZ3 TRP 84 -19.864 4.139 -22.183 630 HH2 TRP 84 HH2 TRP 84 -21.351 4.186 -24.172 631 H SER 85 H SER 85 -23.990 3.244 -14.761 632 HA SER 85 HA SER 85 -26.719 2.184 -15.018 633 HB2 SER 85 HB2 SER 85 -24.999 1.419 -13.287 634 HB3 SER 85 HB3 SER 85 -25.237 2.979 -12.483 635 HG SER 85 HG SER 85 -26.625 1.558 -11.552 636 H HIS 86 H HIS 86 -28.510 3.129 -13.791 637 HA HIS 86 HA HIS 86 -28.889 5.908 -14.318 638 HB2 HIS 86 HB2 HIS 86 -30.376 4.079 -12.400 639 HB3 HIS 86 HB3 HIS 86 -30.917 5.667 -12.956 640 HD1 HIS 86 HD1 HIS 86 -31.433 5.838 -15.636 641 HD2 HIS 86 HD2 HIS 86 -31.050 2.011 -14.046 642 HE1 HIS 86 HE1 HIS 86 -32.450 4.237 -17.327 643 HA PRO 87 HA PRO 87 -26.673 7.194 -10.640 644 HB2 PRO 87 HB2 PRO 87 -27.118 9.866 -10.696 645 HB3 PRO 87 HB3 PRO 87 -26.037 9.065 -11.874 646 HG2 PRO 87 HG2 PRO 87 -28.928 9.835 -12.215 647 HG3 PRO 87 HG3 PRO 87 -27.517 10.212 -13.270 648 HD2 PRO 87 HD2 PRO 87 -29.167 8.111 -13.789 649 HD3 PRO 87 HD3 PRO 87 -27.389 8.018 -14.061 650 H GLN 88 H GLN 88 -27.205 8.148 -8.534 651 HA GLN 88 HA GLN 88 -29.780 7.402 -7.544 652 HB2 GLN 88 HB2 GLN 88 -27.628 7.599 -6.250 653 HB3 GLN 88 HB3 GLN 88 -27.763 9.360 -6.380 654 HG2 GLN 88 HG2 GLN 88 -30.103 8.999 -5.217 655 HG3 GLN 88 HG3 GLN 88 -29.408 7.432 -4.743 656 HE21 GLN 88 HE21 GLN 88 -29.191 10.925 -4.461 657 HE22 GLN 88 HE22 GLN 88 -28.109 10.924 -3.088 658 H PHE 89 H PHE 89 -31.604 8.661 -7.103 659 HA PHE 89 HA PHE 89 -32.047 11.117 -8.554 660 HB2 PHE 89 HB2 PHE 89 -34.142 11.255 -7.310 661 HB3 PHE 89 HB3 PHE 89 -33.894 9.589 -7.860 662 HD1 PHE 89 HD1 PHE 89 -33.310 7.803 -6.258 663 HD2 PHE 89 HD2 PHE 89 -34.071 11.837 -4.956 664 HE1 PHE 89 HE1 PHE 89 -33.528 6.985 -3.910 665 HE2 PHE 89 HE2 PHE 89 -34.296 11.020 -2.566 666 HZ PHE 89 HZ PHE 89 -34.026 8.614 -2.047 667 H GLU 90 H GLU 90 -32.359 13.247 -7.586 668 HA GLU 90 HA GLU 90 -30.631 13.577 -5.172 669 HB2 GLU 90 HB2 GLU 90 -31.091 15.527 -7.461 670 HB3 GLU 90 HB3 GLU 90 -30.059 15.792 -6.021 671 HG2 GLU 90 HG2 GLU 90 -28.723 13.715 -6.692 672 HG3 GLU 90 HG3 GLU 90 -29.655 13.706 -8.223 673 H LYS 91 H LYS 91 -31.239 15.781 -4.011 674 HA LYS 91 HA LYS 91 -34.187 15.933 -3.757 675 HB2 LYS 91 HB2 LYS 91 -32.056 16.672 -1.709 676 HB3 LYS 91 HB3 LYS 91 -33.805 16.678 -1.471 677 HG2 LYS 91 HG2 LYS 91 -32.091 14.244 -2.008 678 HG3 LYS 91 HG3 LYS 91 -32.848 14.700 -0.461 679 HD2 LYS 91 HD2 LYS 91 -34.384 14.012 -3.010 680 HD3 LYS 91 HD3 LYS 91 -34.150 12.932 -1.702 681 HE2 LYS 91 HE2 LYS 91 -35.329 14.362 -0.140 682 HE3 LYS 91 HE3 LYS 91 -35.619 15.512 -1.475 683 HZ1 LYS 91 HZ1 LYS 91 -36.771 13.692 -2.667 684 HZ2 LYS 91 HZ2 LYS 91 -37.543 14.165 -1.292 685 HZ3 LYS 91 HZ3 LYS 91 -36.686 12.756 -1.318 Start of MODEL 7 1 H1 GLY 1 H GLY 1 8.855 4.366 -4.423 2 HA2 GLY 1 HA2 GLY 1 7.186 3.574 -5.867 3 HA3 GLY 1 HA3 GLY 1 6.034 4.438 -4.831 4 H ALA 2 H ALA 2 5.294 4.389 -7.405 5 HA ALA 2 HA ALA 2 5.569 7.203 -8.200 6 HB1 ALA 2 HB1 ALA 2 7.475 6.129 -9.412 7 HB2 ALA 2 HB2 ALA 2 6.366 4.896 -10.064 8 HB3 ALA 2 HB3 ALA 2 6.189 6.599 -10.543 9 H MET 3 H MET 3 3.957 7.478 -10.127 10 HA MET 3 HA MET 3 1.441 6.243 -9.411 11 HB2 MET 3 HB2 MET 3 1.693 8.539 -10.425 12 HB3 MET 3 HB3 MET 3 2.220 7.773 -11.927 13 HG2 MET 3 HG2 MET 3 0.013 6.614 -12.067 14 HG3 MET 3 HG3 MET 3 -0.502 7.477 -10.610 15 HE1 MET 3 HE1 MET 3 0.118 9.253 -14.868 16 HE2 MET 3 HE2 MET 3 1.495 8.552 -13.995 17 HE3 MET 3 HE3 MET 3 0.112 7.524 -14.449 18 H ALA 4 H ALA 4 0.421 4.484 -10.362 19 HA ALA 4 HA ALA 4 2.006 2.684 -11.987 20 HB1 ALA 4 HB1 ALA 4 0.305 1.857 -10.378 21 HB2 ALA 4 HB2 ALA 4 -0.976 2.667 -11.313 22 HB3 ALA 4 HB3 ALA 4 -0.060 1.322 -12.035 23 H LYS 5 H LYS 5 1.853 2.321 -14.194 24 HA LYS 5 HA LYS 5 0.957 4.508 -15.844 25 HB2 LYS 5 HB2 LYS 5 1.485 3.005 -17.729 26 HB3 LYS 5 HB3 LYS 5 2.804 3.087 -16.557 27 HG2 LYS 5 HG2 LYS 5 2.532 0.887 -15.878 28 HG3 LYS 5 HG3 LYS 5 0.816 0.841 -16.314 29 HD2 LYS 5 HD2 LYS 5 2.098 -0.542 -17.859 30 HD3 LYS 5 HD3 LYS 5 1.397 0.843 -18.707 31 HE2 LYS 5 HE2 LYS 5 3.578 2.021 -18.615 32 HE3 LYS 5 HE3 LYS 5 4.292 0.635 -17.751 33 HZ1 LYS 5 HZ1 LYS 5 3.014 0.376 -20.410 34 HZ2 LYS 5 HZ2 LYS 5 3.989 -0.712 -19.657 35 HZ3 LYS 5 HZ3 LYS 5 4.632 0.697 -20.234 36 H ALA 6 H ALA 6 -0.562 4.233 -17.680 37 HA ALA 6 HA ALA 6 -3.170 3.414 -16.811 38 HB1 ALA 6 HB1 ALA 6 -3.792 3.877 -19.189 39 HB2 ALA 6 HB2 ALA 6 -2.781 5.185 -18.540 40 HB3 ALA 6 HB3 ALA 6 -2.073 3.964 -19.625 41 HA PRO 7 HA PRO 7 -2.687 -0.840 -17.889 42 HB2 PRO 7 HB2 PRO 7 -5.180 -1.661 -18.653 43 HB3 PRO 7 HB3 PRO 7 -4.785 -1.284 -16.942 44 HG2 PRO 7 HG2 PRO 7 -6.118 0.465 -19.010 45 HG3 PRO 7 HG3 PRO 7 -6.628 0.125 -17.328 46 HD2 PRO 7 HD2 PRO 7 -5.263 2.371 -17.994 47 HD3 PRO 7 HD3 PRO 7 -4.991 1.527 -16.428 48 H GLU 8 H GLU 8 -1.962 -1.861 -19.689 49 HA GLU 8 HA GLU 8 -1.712 -0.455 -22.132 50 HB2 GLU 8 HB2 GLU 8 -1.520 -3.449 -21.560 51 HB3 GLU 8 HB3 GLU 8 -0.909 -2.665 -23.016 52 HG2 GLU 8 HG2 GLU 8 0.084 -2.115 -20.194 53 HG3 GLU 8 HG3 GLU 8 0.835 -3.238 -21.332 54 H SER 9 H SER 9 -3.258 -0.014 -23.582 55 HA SER 9 HA SER 9 -5.346 -2.127 -24.034 56 HB2 SER 9 HB2 SER 9 -5.780 0.880 -23.870 57 HB3 SER 9 HB3 SER 9 -7.028 -0.344 -24.160 58 HG SER 9 HG SER 9 -5.396 -0.120 -21.832 59 H ALA 10 H ALA 10 -6.101 -2.365 -26.114 60 HA ALA 10 HA ALA 10 -4.482 -1.409 -28.282 61 HB1 ALA 10 HB1 ALA 10 -5.804 -3.491 -28.433 62 HB2 ALA 10 HB2 ALA 10 -7.320 -2.565 -28.274 63 HB3 ALA 10 HB3 ALA 10 -6.290 -2.353 -29.707 64 H THR 11 H THR 11 -7.248 -0.206 -26.556 65 HA THR 11 HA THR 11 -8.293 1.696 -28.322 66 HB THR 11 HB THR 11 -7.952 2.044 -25.310 67 HG1 THR 11 HG1 THR 11 -9.941 0.807 -25.259 68 HG21 THR 11 HG21 THR 11 -9.035 3.931 -26.523 69 HG22 THR 11 HG22 THR 11 -10.158 3.101 -25.432 70 HG23 THR 11 HG23 THR 11 -10.232 2.799 -27.182 71 H GLU 12 H GLU 12 -5.444 1.883 -26.140 72 HA GLU 12 HA GLU 12 -5.051 4.693 -26.357 73 HB2 GLU 12 HB2 GLU 12 -3.118 2.432 -25.857 74 HB3 GLU 12 HB3 GLU 12 -2.660 4.132 -25.793 75 HG2 GLU 12 HG2 GLU 12 -4.216 4.576 -24.014 76 HG3 GLU 12 HG3 GLU 12 -4.896 2.966 -24.117 77 H LYS 13 H LYS 13 -3.857 2.025 -28.456 78 HA LYS 13 HA LYS 13 -2.066 3.783 -29.876 79 HB2 LYS 13 HB2 LYS 13 -1.533 2.001 -31.234 80 HB3 LYS 13 HB3 LYS 13 -2.115 1.182 -29.793 81 HG2 LYS 13 HG2 LYS 13 -3.192 -0.080 -31.370 82 HG3 LYS 13 HG3 LYS 13 -4.418 1.166 -31.156 83 HD2 LYS 13 HD2 LYS 13 -3.377 2.406 -33.109 84 HD3 LYS 13 HD3 LYS 13 -2.346 0.994 -33.382 85 HE2 LYS 13 HE2 LYS 13 -4.272 -0.394 -33.844 86 HE3 LYS 13 HE3 LYS 13 -5.381 0.866 -33.272 87 HZ1 LYS 13 HZ1 LYS 13 -5.278 0.819 -35.691 88 HZ2 LYS 13 HZ2 LYS 13 -3.657 1.107 -35.673 89 HZ3 LYS 13 HZ3 LYS 13 -4.703 2.258 -35.126 90 H VAL 14 H VAL 14 -5.493 3.062 -30.193 91 HA VAL 14 HA VAL 14 -5.759 4.137 -32.851 92 HB VAL 14 HB VAL 14 -7.855 3.863 -30.637 93 HG11 VAL 14 HG11 VAL 14 -8.612 5.476 -32.289 94 HG12 VAL 14 HG12 VAL 14 -8.152 4.393 -33.614 95 HG13 VAL 14 HG13 VAL 14 -9.489 3.957 -32.540 96 HG21 VAL 14 HG21 VAL 14 -8.554 1.817 -31.795 97 HG22 VAL 14 HG22 VAL 14 -7.264 2.046 -33.002 98 HG23 VAL 14 HG23 VAL 14 -6.857 1.692 -31.304 99 H LEU 15 H LEU 15 -6.426 5.471 -29.582 100 HA LEU 15 HA LEU 15 -7.096 8.040 -30.683 101 HB2 LEU 15 HB2 LEU 15 -6.921 8.790 -28.271 102 HB3 LEU 15 HB3 LEU 15 -8.062 7.524 -28.659 103 HG LEU 15 HG LEU 15 -5.993 5.996 -27.888 104 HD11 LEU 15 HD11 LEU 15 -5.892 8.400 -26.115 105 HD12 LEU 15 HD12 LEU 15 -4.654 7.931 -27.327 106 HD13 LEU 15 HD13 LEU 15 -4.985 6.851 -25.953 107 HD21 LEU 15 HD21 LEU 15 -7.184 5.686 -25.831 108 HD22 LEU 15 HD22 LEU 15 -8.327 5.899 -27.157 109 HD23 LEU 15 HD23 LEU 15 -8.038 7.247 -26.044 110 H CYS 16 H CYS 16 -4.074 6.648 -29.507 111 HA CYS 16 HA CYS 16 -2.593 9.127 -29.487 112 HB2 CYS 16 HB2 CYS 16 -1.771 6.255 -30.073 113 HB3 CYS 16 HB3 CYS 16 -0.623 7.600 -30.045 114 HG CYS 16 HG CYS 16 -2.496 6.313 -27.682 115 H ALA 17 H ALA 17 -3.174 6.750 -32.160 116 HA ALA 17 HA ALA 17 -1.627 8.300 -34.048 117 HB1 ALA 17 HB1 ALA 17 -2.803 6.910 -35.756 118 HB2 ALA 17 HB2 ALA 17 -2.220 5.898 -34.414 119 HB3 ALA 17 HB3 ALA 17 -3.946 6.335 -34.519 120 H LEU 18 H LEU 18 -5.014 8.344 -32.977 121 HA LEU 18 HA LEU 18 -5.949 10.165 -34.986 122 HB2 LEU 18 HB2 LEU 18 -6.873 8.979 -32.501 123 HB3 LEU 18 HB3 LEU 18 -7.393 10.641 -32.631 124 HG LEU 18 HG LEU 18 -8.553 10.193 -34.698 125 HD11 LEU 18 HD11 LEU 18 -7.490 7.335 -34.500 126 HD12 LEU 18 HD12 LEU 18 -6.991 8.536 -35.700 127 HD13 LEU 18 HD13 LEU 18 -8.645 7.912 -35.722 128 HD21 LEU 18 HD21 LEU 18 -9.121 8.060 -32.576 129 HD22 LEU 18 HD22 LEU 18 -10.266 8.607 -33.830 130 HD23 LEU 18 HD23 LEU 18 -9.731 9.740 -32.574 131 H TYR 19 H TYR 19 -4.288 10.730 -31.841 132 HA TYR 19 HA TYR 19 -4.644 13.560 -31.743 133 HB2 TYR 19 HB2 TYR 19 -2.560 11.636 -30.760 134 HB3 TYR 19 HB3 TYR 19 -2.101 13.298 -30.835 135 HD1 TYR 19 HD1 TYR 19 -5.346 11.664 -29.646 136 HD2 TYR 19 HD2 TYR 19 -1.944 14.129 -28.676 137 HE1 TYR 19 HE1 TYR 19 -6.262 12.064 -27.343 138 HE2 TYR 19 HE2 TYR 19 -2.815 14.456 -26.407 139 HH TYR 19 HH TYR 19 -5.948 13.031 -25.316 140 H ALA 20 H ALA 20 -2.183 11.492 -33.380 141 HA ALA 20 HA ALA 20 -0.630 13.634 -34.300 142 HB1 ALA 20 HB1 ALA 20 -0.072 11.104 -34.362 143 HB2 ALA 20 HB2 ALA 20 -1.085 10.976 -35.813 144 HB3 ALA 20 HB3 ALA 20 0.380 11.991 -35.823 145 H GLU 21 H GLU 21 -3.469 12.136 -35.837 146 HA GLU 21 HA GLU 21 -3.183 13.461 -38.355 147 HB2 GLU 21 HB2 GLU 21 -5.635 12.182 -37.030 148 HB3 GLU 21 HB3 GLU 21 -5.552 12.726 -38.710 149 HG2 GLU 21 HG2 GLU 21 -3.825 10.536 -37.503 150 HG3 GLU 21 HG3 GLU 21 -5.260 10.282 -38.495 151 H ILE 22 H ILE 22 -4.795 14.166 -35.340 152 HA ILE 22 HA ILE 22 -6.360 16.381 -36.420 153 HB ILE 22 HB ILE 22 -5.802 15.263 -33.675 154 HG12 ILE 22 HG12 ILE 22 -7.115 13.933 -35.382 155 HG13 ILE 22 HG13 ILE 22 -7.999 14.143 -33.983 156 HG21 ILE 22 HG21 ILE 22 -6.390 17.557 -33.214 157 HG22 ILE 22 HG22 ILE 22 -7.681 17.564 -34.451 158 HG23 ILE 22 HG23 ILE 22 -7.892 16.655 -32.952 159 HD11 ILE 22 HD11 ILE 22 -9.295 16.007 -35.007 160 HD12 ILE 22 HD12 ILE 22 -8.370 15.661 -36.512 161 HD13 ILE 22 HD13 ILE 22 -9.461 14.450 -35.828 162 H LEU 23 H LEU 23 -3.452 15.999 -34.505 163 HA LEU 23 HA LEU 23 -3.244 18.916 -34.159 164 HB2 LEU 23 HB2 LEU 23 -1.501 16.589 -33.214 165 HB3 LEU 23 HB3 LEU 23 -1.238 18.284 -32.784 166 HG LEU 23 HG LEU 23 -3.932 17.046 -32.145 167 HD11 LEU 23 HD11 LEU 23 -2.125 15.489 -31.411 168 HD12 LEU 23 HD12 LEU 23 -3.218 16.170 -30.119 169 HD13 LEU 23 HD13 LEU 23 -1.558 16.824 -30.355 170 HD21 LEU 23 HD21 LEU 23 -3.824 18.560 -30.282 171 HD22 LEU 23 HD22 LEU 23 -3.476 19.459 -31.859 172 HD23 LEU 23 HD23 LEU 23 -2.120 19.021 -30.725 173 H GLY 24 H GLY 24 -1.919 16.487 -36.269 174 HA2 GLY 24 HA2 GLY 24 -0.638 16.886 -38.151 175 HA3 GLY 24 HA3 GLY 24 -0.512 18.594 -37.697 176 H VAL 25 H VAL 25 0.386 15.862 -35.612 177 HA VAL 25 HA VAL 25 3.196 16.878 -35.712 178 HB VAL 25 HB VAL 25 3.473 15.980 -33.410 179 HG11 VAL 25 HG11 VAL 25 2.808 18.357 -33.785 180 HG12 VAL 25 HG12 VAL 25 1.100 17.896 -33.649 181 HG13 VAL 25 HG13 VAL 25 2.182 17.723 -32.253 182 HG21 VAL 25 HG21 VAL 25 1.739 14.203 -33.486 183 HG22 VAL 25 HG22 VAL 25 1.533 15.271 -32.087 184 HG23 VAL 25 HG23 VAL 25 0.466 15.446 -33.497 185 H GLU 26 H GLU 26 4.916 15.400 -35.536 186 HA GLU 26 HA GLU 26 4.586 13.240 -37.365 187 HB2 GLU 26 HB2 GLU 26 6.988 12.736 -36.703 188 HB3 GLU 26 HB3 GLU 26 6.657 14.332 -37.390 189 HG2 GLU 26 HG2 GLU 26 6.847 15.392 -35.234 190 HG3 GLU 26 HG3 GLU 26 6.864 13.835 -34.404 191 H ARG 27 H ARG 27 4.931 13.198 -33.835 192 HA ARG 27 HA ARG 27 4.201 10.271 -33.767 193 HB2 ARG 27 HB2 ARG 27 6.776 11.499 -32.728 194 HB3 ARG 27 HB3 ARG 27 5.872 10.239 -31.843 195 HG2 ARG 27 HG2 ARG 27 7.320 8.946 -33.062 196 HG3 ARG 27 HG3 ARG 27 5.979 9.026 -34.218 197 HD2 ARG 27 HD2 ARG 27 8.082 9.354 -35.368 198 HD3 ARG 27 HD3 ARG 27 7.120 10.834 -35.413 199 HE ARG 27 HE ARG 27 8.786 11.962 -34.286 200 HH11 ARG 27 HH11 ARG 27 9.318 8.505 -33.688 201 HH12 ARG 27 HH12 ARG 27 10.883 8.780 -32.981 202 HH21 ARG 27 HH21 ARG 27 10.751 12.233 -33.419 203 HH22 ARG 27 HH22 ARG 27 11.684 10.877 -32.807 204 H VAL 28 H VAL 28 3.466 9.699 -31.644 205 HA VAL 28 HA VAL 28 2.719 11.991 -29.880 206 HB VAL 28 HB VAL 28 0.797 9.800 -30.613 207 HG11 VAL 28 HG11 VAL 28 0.473 10.614 -28.374 208 HG12 VAL 28 HG12 VAL 28 0.542 12.293 -28.960 209 HG13 VAL 28 HG13 VAL 28 -0.789 11.240 -29.450 210 HG21 VAL 28 HG21 VAL 28 1.176 11.339 -32.535 211 HG22 VAL 28 HG22 VAL 28 -0.433 11.575 -31.825 212 HG23 VAL 28 HG23 VAL 28 0.888 12.724 -31.472 213 H GLY 29 H GLY 29 3.454 11.457 -27.795 214 HA2 GLY 29 HA2 GLY 29 4.066 8.600 -27.144 215 HA3 GLY 29 HA3 GLY 29 4.425 10.024 -26.166 216 H VAL 30 H VAL 30 3.216 7.750 -25.029 217 HA VAL 30 HA VAL 30 0.410 7.971 -24.895 218 HB VAL 30 HB VAL 30 0.999 6.909 -22.437 219 HG11 VAL 30 HG11 VAL 30 0.855 4.683 -23.478 220 HG12 VAL 30 HG12 VAL 30 -0.303 5.796 -24.219 221 HG13 VAL 30 HG13 VAL 30 1.207 5.401 -25.072 222 HG21 VAL 30 HG21 VAL 30 3.472 7.315 -22.783 223 HG22 VAL 30 HG22 VAL 30 3.033 5.626 -22.454 224 HG23 VAL 30 HG23 VAL 30 3.418 6.114 -24.111 225 H ASP 31 H ASP 31 2.935 9.807 -23.257 226 HA ASP 31 HA ASP 31 0.948 10.942 -21.420 227 HB2 ASP 31 HB2 ASP 31 3.999 11.002 -21.334 228 HB3 ASP 31 HB3 ASP 31 2.926 11.785 -20.244 229 H ASP 32 H ASP 32 1.539 11.656 -24.386 230 HA ASP 32 HA ASP 32 2.741 14.269 -24.323 231 HB2 ASP 32 HB2 ASP 32 1.782 12.395 -26.324 232 HB3 ASP 32 HB3 ASP 32 1.106 13.974 -26.641 233 H ALA 33 H ALA 33 1.815 16.172 -23.744 234 HA ALA 33 HA ALA 33 -1.025 16.156 -23.111 235 HB1 ALA 33 HB1 ALA 33 1.001 18.425 -23.148 236 HB2 ALA 33 HB2 ALA 33 -0.645 18.530 -22.473 237 HB3 ALA 33 HB3 ALA 33 0.554 17.437 -21.738 238 H PHE 34 H PHE 34 -2.644 16.591 -24.404 239 HA PHE 34 HA PHE 34 -2.493 17.020 -27.207 240 HB2 PHE 34 HB2 PHE 34 -4.441 16.153 -25.996 241 HB3 PHE 34 HB3 PHE 34 -4.651 17.816 -25.274 242 HD1 PHE 34 HD1 PHE 34 -4.730 15.800 -28.474 243 HD2 PHE 34 HD2 PHE 34 -5.813 19.477 -26.526 244 HE1 PHE 34 HE1 PHE 34 -6.145 16.425 -30.434 245 HE2 PHE 34 HE2 PHE 34 -7.255 20.097 -28.472 246 HZ PHE 34 HZ PHE 34 -7.405 18.541 -30.440 247 H HIS 35 H HIS 35 -2.733 19.451 -24.565 248 HA HIS 35 HA HIS 35 -3.065 21.606 -26.495 249 HB2 HIS 35 HB2 HIS 35 -2.812 23.047 -24.474 250 HB3 HIS 35 HB3 HIS 35 -4.107 21.845 -24.380 251 HD1 HIS 35 HD1 HIS 35 -4.029 20.190 -22.440 252 HD2 HIS 35 HD2 HIS 35 -0.516 22.384 -22.851 253 HE1 HIS 35 HE1 HIS 35 -2.607 19.681 -20.413 254 H ASP 36 H ASP 36 -0.271 20.002 -25.073 255 HA ASP 36 HA ASP 36 1.500 22.301 -25.481 256 HB2 ASP 36 HB2 ASP 36 1.825 20.393 -23.794 257 HB3 ASP 36 HB3 ASP 36 2.307 19.389 -25.175 258 H LEU 37 H LEU 37 0.376 19.460 -27.175 259 HA LEU 37 HA LEU 37 2.143 19.733 -29.467 260 HB2 LEU 37 HB2 LEU 37 -0.466 18.228 -29.102 261 HB3 LEU 37 HB3 LEU 37 0.593 18.058 -30.477 262 HG LEU 37 HG LEU 37 1.345 17.293 -27.623 263 HD11 LEU 37 HD11 LEU 37 0.947 14.954 -28.420 264 HD12 LEU 37 HD12 LEU 37 0.282 15.587 -29.935 265 HD13 LEU 37 HD13 LEU 37 -0.552 15.908 -28.397 266 HD21 LEU 37 HD21 LEU 37 3.096 15.997 -28.640 267 HD22 LEU 37 HD22 LEU 37 3.253 17.806 -28.962 268 HD23 LEU 37 HD23 LEU 37 2.629 16.652 -30.270 269 H GLY 38 H GLY 38 0.197 21.988 -28.444 270 HA2 GLY 38 HA2 GLY 38 -0.483 23.845 -29.678 271 HA3 GLY 38 HA3 GLY 38 -0.429 22.893 -31.159 272 H GLY 39 H GLY 39 -2.221 21.166 -28.945 273 HA2 GLY 39 HA2 GLY 39 -4.621 21.679 -30.428 274 HA3 GLY 39 HA3 GLY 39 -4.492 20.653 -29.022 275 H SER 40 H SER 40 -6.618 22.291 -29.741 276 HA SER 40 HA SER 40 -6.708 24.216 -27.461 277 HB2 SER 40 HB2 SER 40 -7.669 24.714 -30.319 278 HB3 SER 40 HB3 SER 40 -7.904 25.810 -28.946 279 HG SER 40 HG SER 40 -5.370 24.995 -29.977 280 H SER 41 H SER 41 -9.065 24.699 -26.894 281 HA SER 41 HA SER 41 -10.540 22.328 -26.631 282 HB2 SER 41 HB2 SER 41 -11.834 25.062 -26.740 283 HB3 SER 41 HB3 SER 41 -12.231 23.681 -25.687 284 HG SER 41 HG SER 41 -11.032 25.189 -24.513 285 H ALA 42 H ALA 42 -10.754 24.789 -29.202 286 HA ALA 42 HA ALA 42 -13.121 23.698 -30.432 287 HB1 ALA 42 HB1 ALA 42 -12.311 26.011 -30.825 288 HB2 ALA 42 HB2 ALA 42 -10.863 25.368 -31.641 289 HB3 ALA 42 HB3 ALA 42 -12.476 25.102 -32.341 290 H LEU 43 H LEU 43 -9.648 23.035 -30.731 291 HA LEU 43 HA LEU 43 -9.939 21.352 -33.060 292 HB2 LEU 43 HB2 LEU 43 -7.833 22.528 -32.310 293 HB3 LEU 43 HB3 LEU 43 -7.723 21.340 -31.012 294 HG LEU 43 HG LEU 43 -7.650 19.527 -32.743 295 HD11 LEU 43 HD11 LEU 43 -8.640 20.651 -34.648 296 HD12 LEU 43 HD12 LEU 43 -6.992 20.166 -35.048 297 HD13 LEU 43 HD13 LEU 43 -7.343 21.853 -34.658 298 HD21 LEU 43 HD21 LEU 43 -5.342 19.939 -33.395 299 HD22 LEU 43 HD22 LEU 43 -5.645 20.297 -31.710 300 HD23 LEU 43 HD23 LEU 43 -5.500 21.622 -32.873 301 H ALA 44 H ALA 44 -9.976 20.880 -29.561 302 HA ALA 44 HA ALA 44 -9.835 18.067 -29.521 303 HB1 ALA 44 HB1 ALA 44 -11.479 19.852 -27.685 304 HB2 ALA 44 HB2 ALA 44 -10.876 18.211 -27.334 305 HB3 ALA 44 HB3 ALA 44 -9.725 19.555 -27.514 306 H MET 45 H MET 45 -12.533 20.149 -30.390 307 HA MET 45 HA MET 45 -14.595 18.200 -30.231 308 HB2 MET 45 HB2 MET 45 -14.390 20.588 -32.117 309 HB3 MET 45 HB3 MET 45 -15.834 19.630 -31.794 310 HG2 MET 45 HG2 MET 45 -15.802 20.271 -29.414 311 HG3 MET 45 HG3 MET 45 -14.348 21.245 -29.687 312 HE1 MET 45 HE1 MET 45 -17.857 20.679 -31.583 313 HE2 MET 45 HE2 MET 45 -18.246 21.024 -29.881 314 HE3 MET 45 HE3 MET 45 -18.661 22.203 -31.151 315 H ARG 46 H ARG 46 -12.108 18.937 -32.677 316 HA ARG 46 HA ARG 46 -13.341 17.226 -34.738 317 HB2 ARG 46 HB2 ARG 46 -10.615 18.536 -34.439 318 HB3 ARG 46 HB3 ARG 46 -10.935 17.353 -35.704 319 HG2 ARG 46 HG2 ARG 46 -11.225 19.402 -36.752 320 HG3 ARG 46 HG3 ARG 46 -12.868 18.841 -36.441 321 HD2 ARG 46 HD2 ARG 46 -13.072 20.367 -34.551 322 HD3 ARG 46 HD3 ARG 46 -11.360 20.821 -34.700 323 HE ARG 46 HE ARG 46 -12.526 21.333 -37.191 324 HH11 ARG 46 HH11 ARG 46 -12.931 22.556 -33.897 325 HH12 ARG 46 HH12 ARG 46 -13.476 24.122 -34.456 326 HH21 ARG 46 HH21 ARG 46 -13.196 23.362 -37.816 327 HH22 ARG 46 HH22 ARG 46 -13.609 24.563 -36.627 328 H LEU 47 H LEU 47 -10.951 16.885 -32.122 329 HA LEU 47 HA LEU 47 -10.081 14.230 -32.818 330 HB2 LEU 47 HB2 LEU 47 -8.968 15.677 -31.124 331 HB3 LEU 47 HB3 LEU 47 -10.326 15.512 -30.121 332 HG LEU 47 HG LEU 47 -9.855 13.065 -29.930 333 HD11 LEU 47 HD11 LEU 47 -7.362 13.822 -31.507 334 HD12 LEU 47 HD12 LEU 47 -8.655 12.725 -32.048 335 HD13 LEU 47 HD13 LEU 47 -7.623 12.262 -30.663 336 HD21 LEU 47 HD21 LEU 47 -7.488 14.819 -29.235 337 HD22 LEU 47 HD22 LEU 47 -7.983 13.308 -28.436 338 HD23 LEU 47 HD23 LEU 47 -9.022 14.758 -28.311 339 H ILE 48 H ILE 48 -12.665 15.462 -30.769 340 HA ILE 48 HA ILE 48 -13.718 12.925 -29.932 341 HB ILE 48 HB ILE 48 -15.122 15.619 -30.304 342 HG12 ILE 48 HG12 ILE 48 -14.309 14.257 -27.717 343 HG13 ILE 48 HG13 ILE 48 -13.203 15.308 -28.577 344 HG21 ILE 48 HG21 ILE 48 -16.815 13.802 -30.354 345 HG22 ILE 48 HG22 ILE 48 -16.116 13.109 -28.878 346 HG23 ILE 48 HG23 ILE 48 -16.916 14.691 -28.822 347 HD11 ILE 48 HD11 ILE 48 -15.895 16.100 -27.398 348 HD12 ILE 48 HD12 ILE 48 -14.287 16.539 -26.795 349 HD13 ILE 48 HD13 ILE 48 -14.845 17.174 -28.352 350 H ALA 49 H ALA 49 -14.514 15.017 -32.764 351 HA ALA 49 HA ALA 49 -16.545 13.345 -33.811 352 HB1 ALA 49 HB1 ALA 49 -14.527 15.025 -35.358 353 HB2 ALA 49 HB2 ALA 49 -16.099 14.441 -35.957 354 HB3 ALA 49 HB3 ALA 49 -16.036 15.641 -34.640 355 H ARG 50 H ARG 50 -12.965 13.215 -34.299 356 HA ARG 50 HA ARG 50 -12.984 11.092 -36.247 357 HB2 ARG 50 HB2 ARG 50 -11.031 12.616 -34.893 358 HB3 ARG 50 HB3 ARG 50 -10.760 11.106 -34.501 359 HG2 ARG 50 HG2 ARG 50 -9.431 11.477 -36.394 360 HG3 ARG 50 HG3 ARG 50 -10.749 10.418 -36.943 361 HD2 ARG 50 HD2 ARG 50 -11.888 12.372 -37.936 362 HD3 ARG 50 HD3 ARG 50 -10.651 13.455 -37.283 363 HE ARG 50 HE ARG 50 -9.053 12.595 -38.785 364 HH11 ARG 50 HH11 ARG 50 -12.222 11.083 -39.346 365 HH12 ARG 50 HH12 ARG 50 -11.724 10.461 -40.894 366 HH21 ARG 50 HH21 ARG 50 -8.537 11.779 -40.797 367 HH22 ARG 50 HH22 ARG 50 -9.714 10.861 -41.693 368 H ILE 51 H ILE 51 -12.976 11.122 -32.608 369 HA ILE 51 HA ILE 51 -12.348 8.223 -32.375 370 HB ILE 51 HB ILE 51 -13.730 10.370 -30.368 371 HG12 ILE 51 HG12 ILE 51 -11.017 8.936 -30.198 372 HG13 ILE 51 HG13 ILE 51 -11.188 10.469 -31.026 373 HG21 ILE 51 HG21 ILE 51 -14.648 8.220 -29.905 374 HG22 ILE 51 HG22 ILE 51 -13.063 7.448 -29.979 375 HG23 ILE 51 HG23 ILE 51 -13.441 8.620 -28.685 376 HD11 ILE 51 HD11 ILE 51 -10.417 10.899 -28.778 377 HD12 ILE 51 HD12 ILE 51 -12.125 11.404 -28.822 378 HD13 ILE 51 HD13 ILE 51 -11.682 9.850 -28.082 379 H ARG 52 H ARG 52 -15.334 10.104 -33.004 380 HA ARG 52 HA ARG 52 -17.091 7.921 -32.429 381 HB2 ARG 52 HB2 ARG 52 -17.408 10.127 -34.446 382 HB3 ARG 52 HB3 ARG 52 -18.615 8.965 -33.962 383 HG2 ARG 52 HG2 ARG 52 -18.790 9.973 -31.851 384 HG3 ARG 52 HG3 ARG 52 -17.157 10.698 -31.983 385 HD2 ARG 52 HD2 ARG 52 -18.410 12.587 -32.523 386 HD3 ARG 52 HD3 ARG 52 -18.376 11.808 -34.048 387 HE ARG 52 HE ARG 52 -20.552 11.839 -31.917 388 HH11 ARG 52 HH11 ARG 52 -19.790 10.828 -35.240 389 HH12 ARG 52 HH12 ARG 52 -21.450 10.435 -35.580 390 HH21 ARG 52 HH21 ARG 52 -22.529 11.361 -32.409 391 HH22 ARG 52 HH22 ARG 52 -23.014 10.785 -33.990 392 H GLU 53 H GLU 53 -15.085 8.620 -35.168 393 HA GLU 53 HA GLU 53 -16.557 6.950 -37.039 394 HB2 GLU 53 HB2 GLU 53 -13.768 8.162 -37.170 395 HB3 GLU 53 HB3 GLU 53 -14.587 7.361 -38.516 396 HG2 GLU 53 HG2 GLU 53 -16.305 9.132 -38.510 397 HG3 GLU 53 HG3 GLU 53 -15.519 9.876 -37.114 398 H GLU 54 H GLU 54 -13.714 6.806 -34.892 399 HA GLU 54 HA GLU 54 -12.940 4.202 -35.941 400 HB2 GLU 54 HB2 GLU 54 -11.885 5.963 -33.774 401 HB3 GLU 54 HB3 GLU 54 -11.238 4.346 -34.041 402 HG2 GLU 54 HG2 GLU 54 -11.392 6.350 -36.297 403 HG3 GLU 54 HG3 GLU 54 -10.015 6.326 -35.191 404 H LEU 55 H LEU 55 -14.258 5.418 -32.871 405 HA LEU 55 HA LEU 55 -14.461 2.618 -31.903 406 HB2 LEU 55 HB2 LEU 55 -14.498 5.202 -30.344 407 HB3 LEU 55 HB3 LEU 55 -14.410 3.567 -29.692 408 HG LEU 55 HG LEU 55 -12.189 4.989 -31.233 409 HD11 LEU 55 HD11 LEU 55 -12.610 5.682 -28.893 410 HD12 LEU 55 HD12 LEU 55 -10.974 4.953 -29.177 411 HD13 LEU 55 HD13 LEU 55 -12.277 3.978 -28.391 412 HD21 LEU 55 HD21 LEU 55 -12.254 2.149 -30.091 413 HD22 LEU 55 HD22 LEU 55 -10.781 3.003 -30.632 414 HD23 LEU 55 HD23 LEU 55 -12.077 2.627 -31.782 415 H GLY 56 H GLY 56 -16.341 4.965 -33.190 416 HA2 GLY 56 HA2 GLY 56 -18.651 5.031 -33.376 417 HA3 GLY 56 HA3 GLY 56 -18.728 3.520 -32.470 418 H VAL 57 H VAL 57 -17.186 6.258 -30.886 419 HA VAL 57 HA VAL 57 -19.748 6.780 -29.448 420 HB VAL 57 HB VAL 57 -18.532 6.800 -27.262 421 HG11 VAL 57 HG11 VAL 57 -18.543 4.385 -26.936 422 HG12 VAL 57 HG12 VAL 57 -19.865 4.828 -28.031 423 HG13 VAL 57 HG13 VAL 57 -18.376 4.105 -28.680 424 HG21 VAL 57 HG21 VAL 57 -16.192 7.068 -28.101 425 HG22 VAL 57 HG22 VAL 57 -16.343 5.650 -27.044 426 HG23 VAL 57 HG23 VAL 57 -16.265 5.435 -28.805 427 H ASP 58 H ASP 58 -20.018 8.779 -28.569 428 HA ASP 58 HA ASP 58 -18.241 10.944 -29.493 429 HB2 ASP 58 HB2 ASP 58 -20.810 10.744 -27.909 430 HB3 ASP 58 HB3 ASP 58 -19.863 12.238 -27.868 431 H LEU 59 H LEU 59 -16.320 11.060 -28.470 432 HA LEU 59 HA LEU 59 -15.839 9.989 -25.905 433 HB2 LEU 59 HB2 LEU 59 -14.179 10.586 -27.720 434 HB3 LEU 59 HB3 LEU 59 -14.271 12.231 -27.155 435 HG LEU 59 HG LEU 59 -12.253 11.123 -26.387 436 HD11 LEU 59 HD11 LEU 59 -13.392 12.814 -24.889 437 HD12 LEU 59 HD12 LEU 59 -12.169 11.760 -24.169 438 HD13 LEU 59 HD13 LEU 59 -13.883 11.430 -23.893 439 HD21 LEU 59 HD21 LEU 59 -13.150 8.821 -26.330 440 HD22 LEU 59 HD22 LEU 59 -14.003 9.213 -24.825 441 HD23 LEU 59 HD23 LEU 59 -12.220 9.261 -24.881 442 HA PRO 60 HA PRO 60 -17.924 13.205 -23.546 443 HB2 PRO 60 HB2 PRO 60 -16.284 12.050 -21.301 444 HB3 PRO 60 HB3 PRO 60 -18.051 12.321 -21.381 445 HG2 PRO 60 HG2 PRO 60 -17.028 9.877 -21.565 446 HG3 PRO 60 HG3 PRO 60 -18.399 10.388 -22.600 447 HD2 PRO 60 HD2 PRO 60 -15.471 10.132 -23.333 448 HD3 PRO 60 HD3 PRO 60 -16.957 9.647 -24.224 449 H ILE 61 H ILE 61 -17.124 15.287 -23.765 450 HA ILE 61 HA ILE 61 -14.380 15.868 -23.885 451 HB ILE 61 HB ILE 61 -16.310 17.257 -24.787 452 HG12 ILE 61 HG12 ILE 61 -14.238 18.864 -23.267 453 HG13 ILE 61 HG13 ILE 61 -13.853 17.890 -24.686 454 HG21 ILE 61 HG21 ILE 61 -17.611 17.431 -22.645 455 HG22 ILE 61 HG22 ILE 61 -16.331 18.482 -21.981 456 HG23 ILE 61 HG23 ILE 61 -17.290 19.009 -23.383 457 HD11 ILE 61 HD11 ILE 61 -15.505 19.241 -26.019 458 HD12 ILE 61 HD12 ILE 61 -15.727 20.290 -24.596 459 HD13 ILE 61 HD13 ILE 61 -14.141 20.187 -25.383 460 H ARG 62 H ARG 62 -16.427 15.585 -21.049 461 HA ARG 62 HA ARG 62 -14.710 16.961 -19.187 462 HB2 ARG 62 HB2 ARG 62 -16.985 16.400 -18.614 463 HB3 ARG 62 HB3 ARG 62 -16.608 14.641 -18.758 464 HG2 ARG 62 HG2 ARG 62 -15.296 14.633 -16.844 465 HG3 ARG 62 HG3 ARG 62 -15.157 16.423 -16.810 466 HD2 ARG 62 HD2 ARG 62 -17.802 14.978 -16.454 467 HD3 ARG 62 HD3 ARG 62 -16.726 15.272 -15.097 468 HE ARG 62 HE ARG 62 -18.336 17.233 -16.553 469 HH11 ARG 62 HH11 ARG 62 -15.640 16.830 -14.300 470 HH12 ARG 62 HH12 ARG 62 -15.806 18.448 -13.673 471 HH21 ARG 62 HH21 ARG 62 -18.484 19.295 -15.694 472 HH22 ARG 62 HH22 ARG 62 -17.369 19.810 -14.460 473 H GLN 63 H GLN 63 -14.631 13.632 -20.503 474 HA GLN 63 HA GLN 63 -12.592 12.750 -18.638 475 HB2 GLN 63 HB2 GLN 63 -13.979 11.680 -21.026 476 HB3 GLN 63 HB3 GLN 63 -12.318 11.111 -20.806 477 HG2 GLN 63 HG2 GLN 63 -13.970 9.608 -19.739 478 HG3 GLN 63 HG3 GLN 63 -12.822 10.300 -18.584 479 HE21 GLN 63 HE21 GLN 63 -16.146 10.267 -19.669 480 HE22 GLN 63 HE22 GLN 63 -16.798 11.240 -18.385 481 H LEU 64 H LEU 64 -12.621 14.207 -21.877 482 HA LEU 64 HA LEU 64 -9.825 13.994 -22.398 483 HB2 LEU 64 HB2 LEU 64 -12.150 15.415 -23.474 484 HB3 LEU 64 HB3 LEU 64 -10.680 16.383 -23.571 485 HG LEU 64 HG LEU 64 -10.823 13.550 -24.627 486 HD11 LEU 64 HD11 LEU 64 -11.380 16.155 -26.103 487 HD12 LEU 64 HD12 LEU 64 -12.552 14.860 -25.755 488 HD13 LEU 64 HD13 LEU 64 -11.198 14.558 -26.860 489 HD21 LEU 64 HD21 LEU 64 -8.564 14.583 -24.238 490 HD22 LEU 64 HD22 LEU 64 -9.000 15.860 -25.396 491 HD23 LEU 64 HD23 LEU 64 -8.901 14.159 -25.935 492 H PHE 65 H PHE 65 -11.765 16.616 -20.893 493 HA PHE 65 HA PHE 65 -9.441 18.272 -20.440 494 HB2 PHE 65 HB2 PHE 65 -12.264 18.314 -19.332 495 HB3 PHE 65 HB3 PHE 65 -11.045 19.523 -18.923 496 HD1 PHE 65 HD2 PHE 65 -10.207 18.846 -22.258 497 HD2 PHE 65 HD1 PHE 65 -13.351 20.664 -19.926 498 HE1 PHE 65 HE2 PHE 65 -10.847 20.231 -24.200 499 HE2 PHE 65 HE1 PHE 65 -13.994 22.053 -21.888 500 HZ PHE 65 HZ PHE 65 -12.740 21.852 -24.020 501 H SER 66 H SER 66 -10.923 15.681 -18.592 502 HA SER 66 HA SER 66 -9.838 16.420 -16.020 503 HB2 SER 66 HB2 SER 66 -11.714 14.804 -16.366 504 HB3 SER 66 HB3 SER 66 -10.565 13.675 -17.078 505 HG SER 66 HG SER 66 -10.692 13.132 -14.959 506 H SER 67 H SER 67 -8.612 14.623 -18.819 507 HA SER 67 HA SER 67 -5.909 14.683 -17.632 508 HB2 SER 67 HB2 SER 67 -7.266 12.128 -18.547 509 HB3 SER 67 HB3 SER 67 -5.553 12.298 -18.101 510 HG SER 67 HG SER 67 -7.080 13.330 -16.162 511 HA PRO 68 HA PRO 68 -6.233 15.638 -22.112 512 HB2 PRO 68 HB2 PRO 68 -4.493 17.738 -22.217 513 HB3 PRO 68 HB3 PRO 68 -6.111 17.892 -21.504 514 HG2 PRO 68 HG2 PRO 68 -3.508 17.328 -20.126 515 HG3 PRO 68 HG3 PRO 68 -4.700 18.627 -19.790 516 HD2 PRO 68 HD2 PRO 68 -4.697 16.341 -18.375 517 HD3 PRO 68 HD3 PRO 68 -6.239 17.138 -18.847 518 H THR 69 H THR 69 -4.602 13.398 -21.246 519 HA THR 69 HA THR 69 -2.412 13.661 -23.277 520 HB THR 69 HB THR 69 -1.124 11.932 -21.962 521 HG1 THR 69 HG1 THR 69 -1.723 11.733 -19.741 522 HG21 THR 69 HG21 THR 69 -1.656 14.473 -20.421 523 HG22 THR 69 HG22 THR 69 -0.502 14.277 -21.765 524 HG23 THR 69 HG23 THR 69 -0.246 13.391 -20.243 525 HA PRO 70 HA PRO 70 -4.732 10.485 -24.942 526 HB2 PRO 70 HB2 PRO 70 -2.897 8.679 -25.999 527 HB3 PRO 70 HB3 PRO 70 -3.374 10.229 -26.752 528 HG2 PRO 70 HG2 PRO 70 -1.043 9.565 -25.101 529 HG3 PRO 70 HG3 PRO 70 -1.145 10.494 -26.608 530 HD2 PRO 70 HD2 PRO 70 -0.920 11.675 -24.228 531 HD3 PRO 70 HD3 PRO 70 -1.930 12.381 -25.532 532 H ALA 71 H ALA 71 -2.042 9.098 -22.946 533 HA ALA 71 HA ALA 71 -3.542 6.656 -22.385 534 HB1 ALA 71 HB1 ALA 71 -1.151 6.664 -22.145 535 HB2 ALA 71 HB2 ALA 71 -1.222 7.965 -20.936 536 HB3 ALA 71 HB3 ALA 71 -1.878 6.354 -20.564 537 H GLY 72 H GLY 72 -3.321 9.856 -20.990 538 HA2 GLY 72 HA2 GLY 72 -4.589 9.322 -18.487 539 HA3 GLY 72 HA3 GLY 72 -4.511 10.892 -19.325 540 H VAL 73 H VAL 73 -5.892 10.383 -21.683 541 HA VAL 73 HA VAL 73 -8.619 10.478 -20.810 542 HB VAL 73 HB VAL 73 -7.415 9.946 -23.611 543 HG11 VAL 73 HG11 VAL 73 -9.658 10.735 -24.428 544 HG12 VAL 73 HG12 VAL 73 -9.715 9.163 -23.621 545 HG13 VAL 73 HG13 VAL 73 -10.252 10.630 -22.759 546 HG21 VAL 73 HG21 VAL 73 -8.086 12.354 -23.989 547 HG22 VAL 73 HG22 VAL 73 -8.463 12.464 -22.258 548 HG23 VAL 73 HG23 VAL 73 -6.808 12.175 -22.775 549 H ALA 74 H ALA 74 -6.739 7.822 -22.449 550 HA ALA 74 HA ALA 74 -8.769 5.945 -22.565 551 HB1 ALA 74 HB1 ALA 74 -6.966 4.263 -22.673 552 HB2 ALA 74 HB2 ALA 74 -6.558 5.739 -23.570 553 HB3 ALA 74 HB3 ALA 74 -5.823 5.495 -21.994 554 H ARG 75 H ARG 75 -6.512 6.455 -19.764 555 HA ARG 75 HA ARG 75 -7.809 4.313 -18.252 556 HB2 ARG 75 HB2 ARG 75 -6.450 4.778 -16.536 557 HB3 ARG 75 HB3 ARG 75 -5.498 5.142 -18.019 558 HG2 ARG 75 HG2 ARG 75 -5.826 7.410 -17.660 559 HG3 ARG 75 HG3 ARG 75 -6.703 7.187 -16.090 560 HD2 ARG 75 HD2 ARG 75 -4.601 5.965 -15.334 561 HD3 ARG 75 HD3 ARG 75 -3.872 6.603 -16.894 562 HE ARG 75 HE ARG 75 -3.803 8.720 -16.115 563 HH11 ARG 75 HH11 ARG 75 -5.135 6.635 -13.569 564 HH12 ARG 75 HH12 ARG 75 -5.010 7.900 -12.374 565 HH21 ARG 75 HH21 ARG 75 -3.708 10.272 -14.501 566 HH22 ARG 75 HH22 ARG 75 -4.222 9.906 -12.884 567 H ALA 76 H ALA 76 -8.441 7.792 -18.702 568 HA ALA 76 HA ALA 76 -10.018 8.034 -16.272 569 HB1 ALA 76 HB1 ALA 76 -10.731 10.206 -17.279 570 HB2 ALA 76 HB2 ALA 76 -8.971 9.992 -17.359 571 HB3 ALA 76 HB3 ALA 76 -9.951 9.753 -18.818 572 H LEU 77 H LEU 77 -10.784 7.404 -19.709 573 HA LEU 77 HA LEU 77 -13.618 7.294 -19.080 574 HB2 LEU 77 HB2 LEU 77 -13.912 6.552 -21.387 575 HB3 LEU 77 HB3 LEU 77 -12.869 7.972 -21.284 576 HG LEU 77 HG LEU 77 -10.932 6.128 -21.362 577 HD11 LEU 77 HD11 LEU 77 -12.366 4.138 -21.342 578 HD12 LEU 77 HD12 LEU 77 -11.360 4.284 -22.734 579 HD13 LEU 77 HD13 LEU 77 -13.097 4.615 -22.903 580 HD21 LEU 77 HD21 LEU 77 -11.285 7.864 -23.030 581 HD22 LEU 77 HD22 LEU 77 -12.593 6.906 -23.755 582 HD23 LEU 77 HD23 LEU 77 -10.919 6.314 -23.806 583 H ALA 78 H ALA 78 -10.964 4.977 -19.174 584 HA ALA 78 HA ALA 78 -12.600 2.672 -18.982 585 HB1 ALA 78 HB1 ALA 78 -10.618 1.527 -18.033 586 HB2 ALA 78 HB2 ALA 78 -10.176 2.519 -19.439 587 HB3 ALA 78 HB3 ALA 78 -9.819 3.095 -17.798 588 H ALA 79 H ALA 79 -11.264 4.871 -16.494 589 HA ALA 79 HA ALA 79 -12.293 3.453 -14.237 590 HB1 ALA 79 HB1 ALA 79 -11.723 6.434 -14.565 591 HB2 ALA 79 HB2 ALA 79 -11.936 5.579 -13.018 592 HB3 ALA 79 HB3 ALA 79 -10.540 5.204 -14.072 593 H LYS 80 H LYS 80 -13.709 5.936 -16.374 594 HA LYS 80 HA LYS 80 -16.119 6.306 -14.849 595 HB2 LYS 80 HB2 LYS 80 -15.563 7.904 -16.550 596 HB3 LYS 80 HB3 LYS 80 -15.458 6.656 -17.784 597 HG2 LYS 80 HG2 LYS 80 -17.499 7.926 -18.114 598 HG3 LYS 80 HG3 LYS 80 -17.891 6.265 -17.647 599 HD2 LYS 80 HD2 LYS 80 -18.254 7.044 -15.290 600 HD3 LYS 80 HD3 LYS 80 -17.993 8.716 -15.845 601 HE2 LYS 80 HE2 LYS 80 -19.869 8.466 -17.433 602 HE3 LYS 80 HE3 LYS 80 -20.110 6.789 -16.890 603 HZ1 LYS 80 HZ1 LYS 80 -20.375 9.161 -15.140 604 HZ2 LYS 80 HZ2 LYS 80 -20.695 7.594 -14.729 605 HZ3 LYS 80 HZ3 LYS 80 -21.640 8.363 -15.842 606 H SER 81 H SER 81 -15.215 3.926 -17.403 607 HA SER 81 HA SER 81 -17.876 2.785 -17.485 608 HB2 SER 81 HB2 SER 81 -16.153 2.543 -19.290 609 HB3 SER 81 HB3 SER 81 -15.230 1.478 -18.213 610 HG SER 81 HG SER 81 -17.437 0.335 -18.105 611 H ALA 82 H ALA 82 -14.972 2.119 -15.529 612 HA ALA 82 HA ALA 82 -15.931 -0.359 -14.454 613 HB1 ALA 82 HB1 ALA 82 -14.176 -0.018 -12.734 614 HB2 ALA 82 HB2 ALA 82 -13.558 0.345 -14.365 615 HB3 ALA 82 HB3 ALA 82 -13.985 1.679 -13.262 616 H SER 83 H SER 83 -16.258 3.032 -13.438 617 HA SER 83 HA SER 83 -17.627 2.318 -10.963 618 HB2 SER 83 HB2 SER 83 -17.957 4.795 -10.786 619 HB3 SER 83 HB3 SER 83 -16.267 4.294 -10.984 620 HG SER 83 HG SER 83 -16.285 4.949 -13.078 621 H TRP 84 H TRP 84 -18.595 2.585 -14.227 622 HA TRP 84 HA TRP 84 -21.454 2.679 -13.357 623 HB2 TRP 84 HB2 TRP 84 -20.147 4.210 -15.617 624 HB3 TRP 84 HB3 TRP 84 -21.880 3.866 -15.580 625 HD1 TRP 84 HD1 TRP 84 -19.234 5.592 -13.321 626 HE1 TRP 84 HE1 TRP 84 -20.333 7.446 -11.964 627 HE3 TRP 84 HE3 TRP 84 -24.044 4.835 -14.892 628 HZ2 TRP 84 HZ2 TRP 84 -22.969 8.513 -11.649 629 HZ3 TRP 84 HZ3 TRP 84 -25.841 6.341 -14.023 630 HH2 TRP 84 HH2 TRP 84 -25.288 8.166 -12.406 631 H SER 85 H SER 85 -20.763 0.347 -13.355 632 HA SER 85 HA SER 85 -20.193 -1.054 -15.758 633 HB2 SER 85 HB2 SER 85 -21.880 -2.439 -13.760 634 HB3 SER 85 HB3 SER 85 -20.262 -2.861 -14.373 635 HG SER 85 HG SER 85 -19.370 -1.357 -12.956 636 H HIS 86 H HIS 86 -23.200 0.095 -14.327 637 HA HIS 86 HA HIS 86 -24.762 -1.032 -16.592 638 HB2 HIS 86 HB2 HIS 86 -25.652 0.625 -14.207 639 HB3 HIS 86 HB3 HIS 86 -26.712 -0.128 -15.407 640 HD1 HIS 86 HD1 HIS 86 -25.634 -0.696 -12.077 641 HD2 HIS 86 HD2 HIS 86 -26.022 -3.136 -15.425 642 HE1 HIS 86 HE1 HIS 86 -25.725 -3.073 -11.232 643 HA PRO 87 HA PRO 87 -23.715 2.819 -18.438 644 HB2 PRO 87 HB2 PRO 87 -25.418 2.963 -20.570 645 HB3 PRO 87 HB3 PRO 87 -24.044 1.808 -20.504 646 HG2 PRO 87 HG2 PRO 87 -26.942 1.337 -19.806 647 HG3 PRO 87 HG3 PRO 87 -25.883 0.395 -20.903 648 HD2 PRO 87 HD2 PRO 87 -26.290 -0.372 -18.351 649 HD3 PRO 87 HD3 PRO 87 -24.670 -0.533 -19.114 650 H GLN 88 H GLN 88 -24.321 4.968 -18.447 651 HA GLN 88 HA GLN 88 -26.775 5.669 -16.989 652 HB2 GLN 88 HB2 GLN 88 -25.913 7.933 -17.066 653 HB3 GLN 88 HB3 GLN 88 -24.604 6.851 -16.588 654 HG2 GLN 88 HG2 GLN 88 -23.663 6.947 -18.861 655 HG3 GLN 88 HG3 GLN 88 -25.007 7.967 -19.392 656 HE21 GLN 88 HE21 GLN 88 -24.461 10.004 -19.619 657 HE22 GLN 88 HE22 GLN 88 -23.354 10.878 -18.592 658 H PHE 89 H PHE 89 -28.350 7.180 -17.902 659 HA PHE 89 HA PHE 89 -28.288 7.340 -20.887 660 HB2 PHE 89 HB2 PHE 89 -30.578 7.306 -21.011 661 HB3 PHE 89 HB3 PHE 89 -30.344 6.221 -19.638 662 HD1 PHE 89 HD1 PHE 89 -30.839 7.047 -17.306 663 HD2 PHE 89 HD2 PHE 89 -31.639 9.443 -20.797 664 HE1 PHE 89 HE1 PHE 89 -32.329 8.513 -15.950 665 HE2 PHE 89 HE2 PHE 89 -33.126 10.918 -19.449 666 HZ PHE 89 HZ PHE 89 -33.464 10.461 -17.012 667 H GLU 90 H GLU 90 -28.840 9.536 -21.683 668 HA GLU 90 HA GLU 90 -28.818 11.717 -19.728 669 HB2 GLU 90 HB2 GLU 90 -26.383 11.126 -20.084 670 HB3 GLU 90 HB3 GLU 90 -26.600 11.422 -21.808 671 HG2 GLU 90 HG2 GLU 90 -25.492 13.306 -20.572 672 HG3 GLU 90 HG3 GLU 90 -26.962 13.780 -21.427 673 H LYS 91 H LYS 91 -29.068 13.796 -21.120 674 HA LYS 91 HA LYS 91 -31.130 13.256 -23.154 675 HB2 LYS 91 HB2 LYS 91 -29.905 15.758 -21.926 676 HB3 LYS 91 HB3 LYS 91 -30.996 15.836 -23.316 677 HG2 LYS 91 HG2 LYS 91 -32.255 16.308 -21.330 678 HG3 LYS 91 HG3 LYS 91 -32.780 14.737 -21.945 679 HD2 LYS 91 HD2 LYS 91 -31.518 13.573 -20.251 680 HD3 LYS 91 HD3 LYS 91 -30.746 15.067 -19.699 681 HE2 LYS 91 HE2 LYS 91 -33.725 14.557 -19.563 682 HE3 LYS 91 HE3 LYS 91 -32.584 14.314 -18.213 683 HZ1 LYS 91 HZ1 LYS 91 -33.599 16.490 -18.098 684 HZ2 LYS 91 HZ2 LYS 91 -33.066 16.877 -19.615 685 HZ3 LYS 91 HZ3 LYS 91 -31.982 16.646 -18.395 Start of MODEL 8 1 H1 GLY 1 H GLY 1 7.321 0.684 -0.860 2 HA2 GLY 1 HA2 GLY 1 8.883 1.851 -2.154 3 HA3 GLY 1 HA3 GLY 1 8.713 0.531 -3.345 4 H ALA 2 H ALA 2 9.094 2.504 -4.849 5 HA ALA 2 HA ALA 2 6.953 4.398 -5.201 6 HB1 ALA 2 HB1 ALA 2 8.946 3.283 -7.232 7 HB2 ALA 2 HB2 ALA 2 7.962 4.745 -7.438 8 HB3 ALA 2 HB3 ALA 2 9.234 4.701 -6.188 9 H MET 3 H MET 3 5.179 4.292 -6.669 10 HA MET 3 HA MET 3 4.043 1.635 -6.940 11 HB2 MET 3 HB2 MET 3 2.159 2.791 -7.961 12 HB3 MET 3 HB3 MET 3 2.669 3.608 -6.487 13 HG2 MET 3 HG2 MET 3 3.906 5.269 -7.920 14 HG3 MET 3 HG3 MET 3 3.186 4.493 -9.344 15 HE1 MET 3 HE1 MET 3 1.846 5.584 -5.662 16 HE2 MET 3 HE2 MET 3 2.765 6.949 -6.346 17 HE3 MET 3 HE3 MET 3 1.002 7.071 -6.133 18 H ALA 4 H ALA 4 3.632 0.463 -8.817 19 HA ALA 4 HA ALA 4 5.590 0.841 -10.957 20 HB1 ALA 4 HB1 ALA 4 4.586 -1.230 -11.873 21 HB2 ALA 4 HB2 ALA 4 4.967 -1.427 -10.144 22 HB3 ALA 4 HB3 ALA 4 3.284 -1.151 -10.654 23 H LYS 5 H LYS 5 4.982 1.162 -13.200 24 HA LYS 5 HA LYS 5 2.621 2.924 -13.510 25 HB2 LYS 5 HB2 LYS 5 4.825 2.088 -15.433 26 HB3 LYS 5 HB3 LYS 5 3.481 3.137 -15.867 27 HG2 LYS 5 HG2 LYS 5 4.223 4.690 -14.000 28 HG3 LYS 5 HG3 LYS 5 5.701 3.734 -13.875 29 HD2 LYS 5 HD2 LYS 5 4.721 5.018 -16.472 30 HD3 LYS 5 HD3 LYS 5 5.801 5.841 -15.340 31 HE2 LYS 5 HE2 LYS 5 6.444 3.160 -16.628 32 HE3 LYS 5 HE3 LYS 5 6.959 4.731 -17.273 33 HZ1 LYS 5 HZ1 LYS 5 8.150 5.145 -15.219 34 HZ2 LYS 5 HZ2 LYS 5 8.687 3.742 -15.900 35 HZ3 LYS 5 HZ3 LYS 5 7.681 3.699 -14.589 36 H ALA 6 H ALA 6 0.813 2.381 -14.673 37 HA ALA 6 HA ALA 6 0.205 -0.414 -15.005 38 HB1 ALA 6 HB1 ALA 6 -1.924 0.419 -15.926 39 HB2 ALA 6 HB2 ALA 6 -1.508 1.353 -14.459 40 HB3 ALA 6 HB3 ALA 6 -1.247 2.058 -16.082 41 HA PRO 7 HA PRO 7 1.829 -0.864 -19.090 42 HB2 PRO 7 HB2 PRO 7 0.236 -2.758 -20.226 43 HB3 PRO 7 HB3 PRO 7 1.357 -3.141 -18.883 44 HG2 PRO 7 HG2 PRO 7 -1.578 -2.509 -18.772 45 HG3 PRO 7 HG3 PRO 7 -0.698 -3.903 -18.069 46 HD2 PRO 7 HD2 PRO 7 -1.297 -1.751 -16.579 47 HD3 PRO 7 HD3 PRO 7 0.264 -2.615 -16.380 48 H GLU 8 H GLU 8 1.388 -0.522 -21.382 49 HA GLU 8 HA GLU 8 -0.463 1.621 -21.895 50 HB2 GLU 8 HB2 GLU 8 1.739 1.241 -23.048 51 HB3 GLU 8 HB3 GLU 8 1.043 -0.169 -23.841 52 HG2 GLU 8 HG2 GLU 8 -0.654 1.314 -24.890 53 HG3 GLU 8 HG3 GLU 8 0.154 2.708 -24.171 54 H SER 9 H SER 9 -2.543 1.525 -22.540 55 HA SER 9 HA SER 9 -3.754 -1.141 -23.022 56 HB2 SER 9 HB2 SER 9 -4.994 1.643 -22.885 57 HB3 SER 9 HB3 SER 9 -5.887 0.105 -22.923 58 HG SER 9 HG SER 9 -3.997 0.866 -20.933 59 H ALA 10 H ALA 10 -4.999 -1.593 -24.931 60 HA ALA 10 HA ALA 10 -3.722 -0.913 -27.342 61 HB1 ALA 10 HB1 ALA 10 -5.648 -2.051 -28.418 62 HB2 ALA 10 HB2 ALA 10 -5.049 -2.966 -27.007 63 HB3 ALA 10 HB3 ALA 10 -6.543 -1.980 -26.886 64 H THR 11 H THR 11 -6.311 0.815 -25.700 65 HA THR 11 HA THR 11 -7.297 2.263 -27.992 66 HB THR 11 HB THR 11 -7.516 3.921 -25.700 67 HG1 THR 11 HG1 THR 11 -8.108 2.401 -24.096 68 HG21 THR 11 HG21 THR 11 -9.384 1.711 -26.617 69 HG22 THR 11 HG22 THR 11 -9.285 3.359 -27.291 70 HG23 THR 11 HG23 THR 11 -9.811 3.124 -25.605 71 H GLU 12 H GLU 12 -4.534 2.699 -25.792 72 HA GLU 12 HA GLU 12 -4.313 5.501 -26.109 73 HB2 GLU 12 HB2 GLU 12 -2.175 3.453 -25.439 74 HB3 GLU 12 HB3 GLU 12 -2.088 5.200 -25.137 75 HG2 GLU 12 HG2 GLU 12 -4.020 5.045 -23.638 76 HG3 GLU 12 HG3 GLU 12 -4.170 3.331 -23.991 77 H LYS 13 H LYS 13 -2.792 2.819 -27.858 78 HA LYS 13 HA LYS 13 -1.200 4.559 -29.511 79 HB2 LYS 13 HB2 LYS 13 -0.782 2.641 -30.870 80 HB3 LYS 13 HB3 LYS 13 -0.620 2.234 -29.181 81 HG2 LYS 13 HG2 LYS 13 -2.802 1.144 -29.183 82 HG3 LYS 13 HG3 LYS 13 -3.047 1.549 -30.849 83 HD2 LYS 13 HD2 LYS 13 -0.894 -0.279 -29.724 84 HD3 LYS 13 HD3 LYS 13 -2.340 -0.783 -30.626 85 HE2 LYS 13 HE2 LYS 13 0.048 0.782 -31.694 86 HE3 LYS 13 HE3 LYS 13 -0.398 -0.887 -32.088 87 HZ1 LYS 13 HZ1 LYS 13 -2.394 -0.032 -33.152 88 HZ2 LYS 13 HZ2 LYS 13 -1.055 0.639 -33.841 89 HZ3 LYS 13 HZ3 LYS 13 -1.989 1.509 -32.804 90 H VAL 14 H VAL 14 -4.557 3.545 -29.737 91 HA VAL 14 HA VAL 14 -4.826 4.127 -32.577 92 HB VAL 14 HB VAL 14 -6.937 4.045 -30.353 93 HG11 VAL 14 HG11 VAL 14 -7.250 4.136 -33.398 94 HG12 VAL 14 HG12 VAL 14 -8.560 3.791 -32.270 95 HG13 VAL 14 HG13 VAL 14 -7.775 5.386 -32.245 96 HG21 VAL 14 HG21 VAL 14 -6.211 1.989 -32.471 97 HG22 VAL 14 HG22 VAL 14 -5.813 1.868 -30.746 98 HG23 VAL 14 HG23 VAL 14 -7.505 1.842 -31.280 99 H LEU 15 H LEU 15 -5.425 5.775 -29.484 100 HA LEU 15 HA LEU 15 -6.332 8.252 -30.602 101 HB2 LEU 15 HB2 LEU 15 -5.086 7.482 -27.960 102 HB3 LEU 15 HB3 LEU 15 -5.693 9.099 -28.291 103 HG LEU 15 HG LEU 15 -7.493 6.710 -28.733 104 HD11 LEU 15 HD11 LEU 15 -8.157 6.834 -26.393 105 HD12 LEU 15 HD12 LEU 15 -6.898 8.064 -26.095 106 HD13 LEU 15 HD13 LEU 15 -6.441 6.425 -26.584 107 HD21 LEU 15 HD21 LEU 15 -8.009 9.579 -27.827 108 HD22 LEU 15 HD22 LEU 15 -9.248 8.326 -28.097 109 HD23 LEU 15 HD23 LEU 15 -8.289 8.928 -29.459 110 H CYS 16 H CYS 16 -3.062 7.072 -29.674 111 HA CYS 16 HA CYS 16 -1.667 9.523 -30.089 112 HB2 CYS 16 HB2 CYS 16 -0.899 6.627 -30.612 113 HB3 CYS 16 HB3 CYS 16 0.205 7.959 -30.843 114 HG CYS 16 HG CYS 16 0.410 8.765 -28.459 115 H ALA 17 H ALA 17 -2.652 6.985 -32.479 116 HA ALA 17 HA ALA 17 -1.406 8.414 -34.649 117 HB1 ALA 17 HB1 ALA 17 -1.961 5.992 -34.763 118 HB2 ALA 17 HB2 ALA 17 -3.698 6.366 -34.707 119 HB3 ALA 17 HB3 ALA 17 -2.719 6.871 -36.108 120 H LEU 18 H LEU 18 -4.719 8.509 -33.285 121 HA LEU 18 HA LEU 18 -5.837 10.191 -35.335 122 HB2 LEU 18 HB2 LEU 18 -6.520 9.890 -32.382 123 HB3 LEU 18 HB3 LEU 18 -7.442 10.869 -33.514 124 HG LEU 18 HG LEU 18 -7.152 7.859 -33.601 125 HD11 LEU 18 HD11 LEU 18 -9.568 7.935 -33.129 126 HD12 LEU 18 HD12 LEU 18 -9.511 9.701 -33.053 127 HD13 LEU 18 HD13 LEU 18 -8.644 8.725 -31.847 128 HD21 LEU 18 HD21 LEU 18 -7.248 8.527 -35.856 129 HD22 LEU 18 HD22 LEU 18 -8.367 9.862 -35.517 130 HD23 LEU 18 HD23 LEU 18 -8.928 8.164 -35.440 131 H TYR 19 H TYR 19 -3.904 10.907 -32.441 132 HA TYR 19 HA TYR 19 -4.355 13.768 -32.505 133 HB2 TYR 19 HB2 TYR 19 -2.252 11.958 -31.438 134 HB3 TYR 19 HB3 TYR 19 -1.899 13.619 -31.488 135 HD1 TYR 19 HD1 TYR 19 -5.126 11.942 -30.529 136 HD2 TYR 19 HD2 TYR 19 -1.675 14.179 -29.200 137 HE1 TYR 19 HE1 TYR 19 -6.110 12.133 -28.248 138 HE2 TYR 19 HE2 TYR 19 -2.698 14.388 -26.946 139 HH TYR 19 HH TYR 19 -5.876 12.966 -26.133 140 H ALA 20 H ALA 20 -1.879 11.543 -33.936 141 HA ALA 20 HA ALA 20 -0.326 13.563 -35.134 142 HB1 ALA 20 HB1 ALA 20 0.279 11.103 -34.934 143 HB2 ALA 20 HB2 ALA 20 -0.822 10.775 -36.293 144 HB3 ALA 20 HB3 ALA 20 0.607 11.809 -36.526 145 H GLU 21 H GLU 21 -3.176 11.834 -36.447 146 HA GLU 21 HA GLU 21 -3.062 12.827 -39.107 147 HB2 GLU 21 HB2 GLU 21 -5.405 12.111 -37.324 148 HB3 GLU 21 HB3 GLU 21 -5.588 12.554 -39.020 149 HG2 GLU 21 HG2 GLU 21 -4.248 10.653 -39.671 150 HG3 GLU 21 HG3 GLU 21 -4.020 10.200 -37.999 151 H ILE 22 H ILE 22 -4.592 14.150 -36.223 152 HA ILE 22 HA ILE 22 -5.841 16.343 -37.728 153 HB ILE 22 HB ILE 22 -5.758 15.631 -34.780 154 HG12 ILE 22 HG12 ILE 22 -7.987 15.480 -36.831 155 HG13 ILE 22 HG13 ILE 22 -6.946 14.111 -36.431 156 HG21 ILE 22 HG21 ILE 22 -6.085 18.075 -34.998 157 HG22 ILE 22 HG22 ILE 22 -7.400 17.801 -36.167 158 HG23 ILE 22 HG23 ILE 22 -7.591 17.292 -34.469 159 HD11 ILE 22 HD11 ILE 22 -9.006 13.909 -35.294 160 HD12 ILE 22 HD12 ILE 22 -7.713 14.222 -34.119 161 HD13 ILE 22 HD13 ILE 22 -8.826 15.528 -34.579 162 H LEU 23 H LEU 23 -3.164 15.995 -35.413 163 HA LEU 23 HA LEU 23 -2.743 18.878 -35.301 164 HB2 LEU 23 HB2 LEU 23 -1.130 16.519 -34.305 165 HB3 LEU 23 HB3 LEU 23 -0.809 18.199 -33.883 166 HG LEU 23 HG LEU 23 -3.472 16.856 -33.221 167 HD11 LEU 23 HD11 LEU 23 -1.641 15.593 -32.251 168 HD12 LEU 23 HD12 LEU 23 -2.597 16.463 -31.019 169 HD13 LEU 23 HD13 LEU 23 -1.022 17.063 -31.538 170 HD21 LEU 23 HD21 LEU 23 -3.540 18.606 -31.476 171 HD22 LEU 23 HD22 LEU 23 -3.489 19.274 -33.121 172 HD23 LEU 23 HD23 LEU 23 -2.034 19.277 -32.130 173 H GLY 24 H GLY 24 -1.599 16.277 -37.292 174 HA2 GLY 24 HA2 GLY 24 -0.284 16.452 -39.197 175 HA3 GLY 24 HA3 GLY 24 -0.183 18.208 -38.937 176 H VAL 25 H VAL 25 0.714 15.963 -36.411 177 HA VAL 25 HA VAL 25 3.515 16.899 -36.694 178 HB VAL 25 HB VAL 25 3.826 16.147 -34.341 179 HG11 VAL 25 HG11 VAL 25 1.461 18.062 -34.715 180 HG12 VAL 25 HG12 VAL 25 2.509 17.938 -33.275 181 HG13 VAL 25 HG13 VAL 25 3.182 18.485 -34.820 182 HG21 VAL 25 HG21 VAL 25 1.875 15.501 -32.976 183 HG22 VAL 25 HG22 VAL 25 0.819 15.575 -34.396 184 HG23 VAL 25 HG23 VAL 25 2.110 14.353 -34.301 185 H GLU 26 H GLU 26 5.257 15.439 -36.487 186 HA GLU 26 HA GLU 26 4.866 13.129 -38.111 187 HB2 GLU 26 HB2 GLU 26 6.925 14.545 -37.955 188 HB3 GLU 26 HB3 GLU 26 7.245 13.832 -36.370 189 HG2 GLU 26 HG2 GLU 26 7.316 11.594 -37.436 190 HG3 GLU 26 HG3 GLU 26 7.121 12.365 -39.023 191 H ARG 27 H ARG 27 5.306 13.485 -34.587 192 HA ARG 27 HA ARG 27 4.395 10.661 -34.262 193 HB2 ARG 27 HB2 ARG 27 6.904 11.845 -33.019 194 HB3 ARG 27 HB3 ARG 27 6.109 10.431 -32.402 195 HG2 ARG 27 HG2 ARG 27 7.355 10.695 -35.135 196 HG3 ARG 27 HG3 ARG 27 7.954 9.806 -33.724 197 HD2 ARG 27 HD2 ARG 27 6.014 8.299 -33.802 198 HD3 ARG 27 HD3 ARG 27 5.395 9.161 -35.219 199 HE ARG 27 HE ARG 27 7.676 7.306 -35.121 200 HH11 ARG 27 HH11 ARG 27 5.880 9.630 -37.087 201 HH12 ARG 27 HH12 ARG 27 6.553 9.017 -38.571 202 HH21 ARG 27 HH21 ARG 27 8.487 6.597 -37.052 203 HH22 ARG 27 HH22 ARG 27 8.006 7.350 -38.553 204 H VAL 28 H VAL 28 3.965 10.148 -32.017 205 HA VAL 28 HA VAL 28 3.131 12.449 -30.332 206 HB VAL 28 HB VAL 28 1.156 10.190 -31.019 207 HG11 VAL 28 HG11 VAL 28 0.844 11.344 -28.843 208 HG12 VAL 28 HG12 VAL 28 0.756 12.899 -29.707 209 HG13 VAL 28 HG13 VAL 28 -0.477 11.649 -29.983 210 HG21 VAL 28 HG21 VAL 28 -0.085 11.851 -32.402 211 HG22 VAL 28 HG22 VAL 28 1.293 12.980 -32.243 212 HG23 VAL 28 HG23 VAL 28 1.474 11.417 -33.077 213 H GLY 29 H GLY 29 3.737 11.921 -28.227 214 HA2 GLY 29 HA2 GLY 29 4.447 9.205 -27.547 215 HA3 GLY 29 HA3 GLY 29 4.621 10.592 -26.548 216 H VAL 30 H VAL 30 3.697 8.475 -25.199 217 HA VAL 30 HA VAL 30 0.756 8.253 -25.557 218 HB VAL 30 HB VAL 30 1.116 6.924 -23.263 219 HG11 VAL 30 HG11 VAL 30 0.354 5.831 -25.312 220 HG12 VAL 30 HG12 VAL 30 1.994 5.898 -26.009 221 HG13 VAL 30 HG13 VAL 30 1.654 4.852 -24.615 222 HG21 VAL 30 HG21 VAL 30 3.287 5.939 -22.991 223 HG22 VAL 30 HG22 VAL 30 3.891 6.712 -24.478 224 HG23 VAL 30 HG23 VAL 30 3.484 7.694 -23.041 225 H ASP 31 H ASP 31 3.027 9.992 -23.783 226 HA ASP 31 HA ASP 31 0.962 11.109 -21.966 227 HB2 ASP 31 HB2 ASP 31 3.953 11.065 -21.851 228 HB3 ASP 31 HB3 ASP 31 2.977 11.922 -20.788 229 H ASP 32 H ASP 32 1.579 11.832 -24.942 230 HA ASP 32 HA ASP 32 2.840 14.385 -24.789 231 HB2 ASP 32 HB2 ASP 32 2.344 12.479 -26.775 232 HB3 ASP 32 HB3 ASP 32 1.306 13.813 -27.220 233 H ALA 33 H ALA 33 1.931 16.382 -24.625 234 HA ALA 33 HA ALA 33 -0.942 16.458 -24.066 235 HB1 ALA 33 HB1 ALA 33 1.175 18.634 -24.136 236 HB2 ALA 33 HB2 ALA 33 -0.506 18.890 -23.634 237 HB3 ALA 33 HB3 ALA 33 0.545 17.804 -22.702 238 H PHE 34 H PHE 34 -2.464 16.701 -25.499 239 HA PHE 34 HA PHE 34 -2.222 17.035 -28.275 240 HB2 PHE 34 HB2 PHE 34 -4.188 16.275 -27.045 241 HB3 PHE 34 HB3 PHE 34 -4.463 17.949 -26.481 242 HD1 PHE 34 HD1 PHE 34 -4.372 15.734 -29.488 243 HD2 PHE 34 HD2 PHE 34 -5.610 19.530 -27.873 244 HE1 PHE 34 HE1 PHE 34 -5.740 16.139 -31.526 245 HE2 PHE 34 HE2 PHE 34 -7.004 19.937 -29.913 246 HZ PHE 34 HZ PHE 34 -7.075 18.225 -31.719 247 H HIS 35 H HIS 35 -2.567 19.632 -25.795 248 HA HIS 35 HA HIS 35 -2.803 21.643 -27.889 249 HB2 HIS 35 HB2 HIS 35 -2.887 23.247 -26.036 250 HB3 HIS 35 HB3 HIS 35 -4.049 21.942 -25.842 251 HD1 HIS 35 HD1 HIS 35 -3.892 20.552 -23.705 252 HD2 HIS 35 HD2 HIS 35 -0.619 23.058 -24.272 253 HE1 HIS 35 HE1 HIS 35 -2.551 20.492 -21.559 254 H ASP 36 H ASP 36 -0.105 20.187 -26.183 255 HA ASP 36 HA ASP 36 1.659 22.509 -26.527 256 HB2 ASP 36 HB2 ASP 36 1.938 20.645 -24.788 257 HB3 ASP 36 HB3 ASP 36 2.448 19.595 -26.117 258 H LEU 37 H LEU 37 0.694 19.572 -28.155 259 HA LEU 37 HA LEU 37 2.545 19.791 -30.378 260 HB2 LEU 37 HB2 LEU 37 -0.047 18.275 -30.041 261 HB3 LEU 37 HB3 LEU 37 1.086 18.036 -31.355 262 HG LEU 37 HG LEU 37 1.780 17.480 -28.448 263 HD11 LEU 37 HD11 LEU 37 1.397 15.130 -29.022 264 HD12 LEU 37 HD12 LEU 37 0.777 15.617 -30.617 265 HD13 LEU 37 HD13 LEU 37 -0.086 16.089 -29.142 266 HD21 LEU 37 HD21 LEU 37 3.500 16.070 -29.396 267 HD22 LEU 37 HD22 LEU 37 3.683 17.810 -29.874 268 HD23 LEU 37 HD23 LEU 37 3.019 16.611 -31.062 269 H GLY 38 H GLY 38 0.508 22.089 -29.641 270 HA2 GLY 38 HA2 GLY 38 -0.144 23.796 -31.089 271 HA3 GLY 38 HA3 GLY 38 -0.030 22.701 -32.464 272 H GLY 39 H GLY 39 -1.836 21.216 -30.068 273 HA2 GLY 39 HA2 GLY 39 -4.229 21.419 -31.615 274 HA3 GLY 39 HA3 GLY 39 -4.062 20.670 -30.031 275 H SER 40 H SER 40 -6.304 22.057 -30.923 276 HA SER 40 HA SER 40 -6.458 24.220 -28.910 277 HB2 SER 40 HB2 SER 40 -5.887 25.291 -31.122 278 HB3 SER 40 HB3 SER 40 -7.298 24.552 -31.833 279 HG SER 40 HG SER 40 -7.125 26.792 -30.300 280 H SER 41 H SER 41 -8.811 24.876 -28.603 281 HA SER 41 HA SER 41 -10.413 22.602 -28.116 282 HB2 SER 41 HB2 SER 41 -11.452 25.399 -28.579 283 HB3 SER 41 HB3 SER 41 -12.101 24.141 -27.501 284 HG SER 41 HG SER 41 -10.868 25.709 -26.359 285 H ALA 42 H ALA 42 -10.126 24.670 -30.966 286 HA ALA 42 HA ALA 42 -12.506 23.785 -32.311 287 HB1 ALA 42 HB1 ALA 42 -11.231 25.813 -32.958 288 HB2 ALA 42 HB2 ALA 42 -9.853 24.780 -33.468 289 HB3 ALA 42 HB3 ALA 42 -11.424 24.684 -34.338 290 H LEU 43 H LEU 43 -9.157 22.543 -32.175 291 HA LEU 43 HA LEU 43 -9.654 20.481 -34.165 292 HB2 LEU 43 HB2 LEU 43 -7.352 21.004 -32.277 293 HB3 LEU 43 HB3 LEU 43 -7.390 19.662 -33.420 294 HG LEU 43 HG LEU 43 -7.560 22.584 -34.224 295 HD11 LEU 43 HD11 LEU 43 -5.192 20.686 -34.165 296 HD12 LEU 43 HD12 LEU 43 -5.405 22.185 -33.223 297 HD13 LEU 43 HD13 LEU 43 -5.194 22.267 -34.981 298 HD21 LEU 43 HD21 LEU 43 -7.079 20.045 -35.847 299 HD22 LEU 43 HD22 LEU 43 -7.018 21.696 -36.492 300 HD23 LEU 43 HD23 LEU 43 -8.551 21.030 -35.894 301 H ALA 44 H ALA 44 -9.894 20.745 -30.666 302 HA ALA 44 HA ALA 44 -9.885 17.958 -30.053 303 HB1 ALA 44 HB1 ALA 44 -11.216 18.596 -28.062 304 HB2 ALA 44 HB2 ALA 44 -9.860 19.714 -28.333 305 HB3 ALA 44 HB3 ALA 44 -11.503 20.206 -28.780 306 H MET 45 H MET 45 -12.400 20.064 -31.512 307 HA MET 45 HA MET 45 -14.536 18.190 -31.246 308 HB2 MET 45 HB2 MET 45 -14.073 20.239 -33.394 309 HB3 MET 45 HB3 MET 45 -15.573 19.517 -33.008 310 HG2 MET 45 HG2 MET 45 -14.013 21.289 -31.150 311 HG3 MET 45 HG3 MET 45 -15.406 21.800 -32.116 312 HE1 MET 45 HE1 MET 45 -15.258 22.353 -29.041 313 HE2 MET 45 HE2 MET 45 -16.710 22.727 -30.007 314 HE3 MET 45 HE3 MET 45 -16.860 21.827 -28.484 315 H ARG 46 H ARG 46 -11.875 18.481 -33.559 316 HA ARG 46 HA ARG 46 -13.044 16.694 -35.552 317 HB2 ARG 46 HB2 ARG 46 -10.114 17.410 -35.040 318 HB3 ARG 46 HB3 ARG 46 -10.771 16.658 -36.495 319 HG2 ARG 46 HG2 ARG 46 -11.302 19.501 -35.527 320 HG3 ARG 46 HG3 ARG 46 -10.275 18.985 -36.867 321 HD2 ARG 46 HD2 ARG 46 -12.376 17.952 -38.002 322 HD3 ARG 46 HD3 ARG 46 -13.223 18.617 -36.616 323 HE ARG 46 HE ARG 46 -11.639 20.650 -37.863 324 HH11 ARG 46 HH11 ARG 46 -14.329 18.576 -38.842 325 HH12 ARG 46 HH12 ARG 46 -14.863 19.693 -40.074 326 HH21 ARG 46 HH21 ARG 46 -12.352 22.010 -39.475 327 HH22 ARG 46 HH22 ARG 46 -13.758 21.592 -40.414 328 H LEU 47 H LEU 47 -10.914 16.460 -32.768 329 HA LEU 47 HA LEU 47 -10.122 13.686 -33.164 330 HB2 LEU 47 HB2 LEU 47 -8.953 15.371 -31.771 331 HB3 LEU 47 HB3 LEU 47 -10.328 15.397 -30.679 332 HG LEU 47 HG LEU 47 -9.867 13.147 -29.954 333 HD11 LEU 47 HD11 LEU 47 -9.132 12.039 -31.990 334 HD12 LEU 47 HD12 LEU 47 -7.879 11.865 -30.746 335 HD13 LEU 47 HD13 LEU 47 -7.677 13.066 -32.059 336 HD21 LEU 47 HD21 LEU 47 -8.571 15.090 -29.019 337 HD22 LEU 47 HD22 LEU 47 -7.231 14.603 -30.081 338 HD23 LEU 47 HD23 LEU 47 -7.809 13.496 -28.818 339 H ILE 48 H ILE 48 -12.755 15.306 -31.277 340 HA ILE 48 HA ILE 48 -13.848 12.919 -30.197 341 HB ILE 48 HB ILE 48 -15.101 15.604 -30.898 342 HG12 ILE 48 HG12 ILE 48 -14.479 14.462 -28.146 343 HG13 ILE 48 HG13 ILE 48 -13.253 15.325 -29.063 344 HG21 ILE 48 HG21 ILE 48 -16.298 13.264 -29.330 345 HG22 ILE 48 HG22 ILE 48 -16.984 14.912 -29.357 346 HG23 ILE 48 HG23 ILE 48 -16.901 13.958 -30.853 347 HD11 ILE 48 HD11 ILE 48 -15.910 16.416 -28.093 348 HD12 ILE 48 HD12 ILE 48 -14.283 16.847 -27.507 349 HD13 ILE 48 HD13 ILE 48 -14.782 17.297 -29.158 350 H ALA 49 H ALA 49 -14.322 14.530 -33.344 351 HA ALA 49 HA ALA 49 -16.470 12.803 -34.165 352 HB1 ALA 49 HB1 ALA 49 -15.972 14.972 -35.257 353 HB2 ALA 49 HB2 ALA 49 -14.465 14.294 -35.905 354 HB3 ALA 49 HB3 ALA 49 -16.032 13.623 -36.417 355 H ARG 50 H ARG 50 -12.911 12.600 -34.668 356 HA ARG 50 HA ARG 50 -13.083 10.252 -36.315 357 HB2 ARG 50 HB2 ARG 50 -10.857 11.435 -34.629 358 HB3 ARG 50 HB3 ARG 50 -10.658 9.969 -35.475 359 HG2 ARG 50 HG2 ARG 50 -11.501 12.537 -36.824 360 HG3 ARG 50 HG3 ARG 50 -9.811 12.059 -36.678 361 HD2 ARG 50 HD2 ARG 50 -11.911 10.359 -38.038 362 HD3 ARG 50 HD3 ARG 50 -10.928 11.499 -38.869 363 HE ARG 50 HE ARG 50 -8.885 10.290 -38.344 364 HH11 ARG 50 HH11 ARG 50 -11.900 8.461 -37.825 365 HH12 ARG 50 HH12 ARG 50 -11.070 6.926 -37.953 366 HH21 ARG 50 HH21 ARG 50 -7.962 8.282 -38.554 367 HH22 ARG 50 HH22 ARG 50 -8.933 6.840 -38.331 368 H ILE 51 H ILE 51 -12.846 10.733 -32.835 369 HA ILE 51 HA ILE 51 -12.119 8.074 -31.991 370 HB ILE 51 HB ILE 51 -13.792 10.321 -30.740 371 HG12 ILE 51 HG12 ILE 51 -11.280 8.890 -29.803 372 HG13 ILE 51 HG13 ILE 51 -11.230 10.278 -30.881 373 HG21 ILE 51 HG21 ILE 51 -13.850 8.858 -28.627 374 HG22 ILE 51 HG22 ILE 51 -14.988 8.429 -29.919 375 HG23 ILE 51 HG23 ILE 51 -13.490 7.505 -29.710 376 HD11 ILE 51 HD11 ILE 51 -10.832 11.042 -28.577 377 HD12 ILE 51 HD12 ILE 51 -12.429 11.624 -29.098 378 HD13 ILE 51 HD13 ILE 51 -12.313 10.234 -28.008 379 H ARG 52 H ARG 52 -15.292 9.439 -33.126 380 HA ARG 52 HA ARG 52 -16.895 7.245 -32.258 381 HB2 ARG 52 HB2 ARG 52 -17.295 9.088 -34.606 382 HB3 ARG 52 HB3 ARG 52 -18.505 8.029 -33.873 383 HG2 ARG 52 HG2 ARG 52 -18.599 9.298 -31.891 384 HG3 ARG 52 HG3 ARG 52 -17.106 10.171 -32.302 385 HD2 ARG 52 HD2 ARG 52 -18.192 11.056 -34.315 386 HD3 ARG 52 HD3 ARG 52 -19.716 10.323 -33.793 387 HE ARG 52 HE ARG 52 -18.374 12.662 -32.612 388 HH11 ARG 52 HH11 ARG 52 -20.969 10.300 -32.242 389 HH12 ARG 52 HH12 ARG 52 -21.836 11.296 -31.104 390 HH21 ARG 52 HH21 ARG 52 -19.539 13.878 -31.175 391 HH22 ARG 52 HH22 ARG 52 -21.034 13.279 -30.498 392 H GLU 53 H GLU 53 -14.864 7.711 -35.100 393 HA GLU 53 HA GLU 53 -16.105 5.519 -36.577 394 HB2 GLU 53 HB2 GLU 53 -13.416 6.779 -37.112 395 HB3 GLU 53 HB3 GLU 53 -14.463 5.958 -38.260 396 HG2 GLU 53 HG2 GLU 53 -14.985 8.658 -36.918 397 HG3 GLU 53 HG3 GLU 53 -14.500 8.399 -38.553 398 H GLU 54 H GLU 54 -13.254 6.166 -34.595 399 HA GLU 54 HA GLU 54 -12.053 3.573 -35.244 400 HB2 GLU 54 HB2 GLU 54 -11.309 5.715 -33.237 401 HB3 GLU 54 HB3 GLU 54 -10.354 4.333 -33.560 402 HG2 GLU 54 HG2 GLU 54 -11.035 6.527 -35.532 403 HG3 GLU 54 HG3 GLU 54 -9.488 6.259 -34.723 404 H LEU 55 H LEU 55 -13.724 4.992 -32.398 405 HA LEU 55 HA LEU 55 -13.308 2.400 -30.959 406 HB2 LEU 55 HB2 LEU 55 -14.004 5.128 -29.800 407 HB3 LEU 55 HB3 LEU 55 -13.488 3.679 -28.925 408 HG LEU 55 HG LEU 55 -11.725 5.497 -30.623 409 HD11 LEU 55 HD11 LEU 55 -12.353 6.292 -28.396 410 HD12 LEU 55 HD12 LEU 55 -10.611 5.932 -28.509 411 HD13 LEU 55 HD13 LEU 55 -11.692 4.799 -27.672 412 HD21 LEU 55 HD21 LEU 55 -10.840 3.263 -30.974 413 HD22 LEU 55 HD22 LEU 55 -10.938 2.910 -29.238 414 HD23 LEU 55 HD23 LEU 55 -9.801 4.143 -29.843 415 H GLY 56 H GLY 56 -15.580 4.150 -32.637 416 HA2 GLY 56 HA2 GLY 56 -17.819 3.734 -32.894 417 HA3 GLY 56 HA3 GLY 56 -17.646 2.371 -31.800 418 H VAL 57 H VAL 57 -16.813 5.542 -30.568 419 HA VAL 57 HA VAL 57 -19.454 5.690 -29.204 420 HB VAL 57 HB VAL 57 -18.364 6.057 -26.999 421 HG11 VAL 57 HG11 VAL 57 -19.069 3.759 -27.628 422 HG12 VAL 57 HG12 VAL 57 -17.422 3.439 -28.224 423 HG13 VAL 57 HG13 VAL 57 -17.690 3.774 -26.500 424 HG21 VAL 57 HG21 VAL 57 -15.747 5.333 -28.410 425 HG22 VAL 57 HG22 VAL 57 -16.179 6.948 -27.799 426 HG23 VAL 57 HG23 VAL 57 -15.955 5.601 -26.663 427 H ASP 58 H ASP 58 -19.762 7.709 -27.996 428 HA ASP 58 HA ASP 58 -18.499 9.987 -29.410 429 HB2 ASP 58 HB2 ASP 58 -20.101 11.355 -28.262 430 HB3 ASP 58 HB3 ASP 58 -20.982 9.959 -28.897 431 H LEU 59 H LEU 59 -17.042 11.373 -28.384 432 HA LEU 59 HA LEU 59 -16.177 10.520 -25.663 433 HB2 LEU 59 HB2 LEU 59 -14.430 10.568 -27.418 434 HB3 LEU 59 HB3 LEU 59 -14.694 12.302 -27.609 435 HG LEU 59 HG LEU 59 -14.421 12.117 -24.908 436 HD11 LEU 59 HD11 LEU 59 -13.933 9.696 -25.059 437 HD12 LEU 59 HD12 LEU 59 -12.666 10.660 -24.269 438 HD13 LEU 59 HD13 LEU 59 -12.439 10.116 -25.936 439 HD21 LEU 59 HD21 LEU 59 -12.189 12.955 -25.114 440 HD22 LEU 59 HD22 LEU 59 -13.285 13.725 -26.272 441 HD23 LEU 59 HD23 LEU 59 -12.149 12.478 -26.824 442 HA PRO 60 HA PRO 60 -18.158 14.359 -24.246 443 HB2 PRO 60 HB2 PRO 60 -16.536 13.598 -21.837 444 HB3 PRO 60 HB3 PRO 60 -18.277 14.053 -21.918 445 HG2 PRO 60 HG2 PRO 60 -17.511 11.547 -21.484 446 HG3 PRO 60 HG3 PRO 60 -18.885 11.910 -22.585 447 HD2 PRO 60 HD2 PRO 60 -16.007 11.210 -23.297 448 HD3 PRO 60 HD3 PRO 60 -17.557 10.638 -24.017 449 H ILE 61 H ILE 61 -17.190 16.430 -24.439 450 HA ILE 61 HA ILE 61 -14.387 16.554 -24.987 451 HB ILE 61 HB ILE 61 -16.168 18.171 -25.802 452 HG12 ILE 61 HG12 ILE 61 -13.689 19.470 -24.633 453 HG13 ILE 61 HG13 ILE 61 -13.635 18.352 -25.991 454 HG21 ILE 61 HG21 ILE 61 -15.645 19.589 -23.134 455 HG22 ILE 61 HG22 ILE 61 -16.687 20.164 -24.455 456 HG23 ILE 61 HG23 ILE 61 -17.148 18.714 -23.532 457 HD11 ILE 61 HD11 ILE 61 -13.569 20.636 -26.822 458 HD12 ILE 61 HD12 ILE 61 -15.114 19.887 -27.308 459 HD13 ILE 61 HD13 ILE 61 -15.065 21.040 -25.948 460 H ARG 62 H ARG 62 -16.150 16.642 -22.003 461 HA ARG 62 HA ARG 62 -14.215 17.964 -20.367 462 HB2 ARG 62 HB2 ARG 62 -16.563 17.354 -19.644 463 HB3 ARG 62 HB3 ARG 62 -16.045 15.671 -19.549 464 HG2 ARG 62 HG2 ARG 62 -14.298 16.357 -17.871 465 HG3 ARG 62 HG3 ARG 62 -14.967 17.998 -17.884 466 HD2 ARG 62 HD2 ARG 62 -17.092 17.146 -17.010 467 HD3 ARG 62 HD3 ARG 62 -16.528 15.478 -17.179 468 HE ARG 62 HE ARG 62 -14.968 15.793 -15.403 469 HH11 ARG 62 HH11 ARG 62 -17.154 18.556 -15.749 470 HH12 ARG 62 HH12 ARG 62 -16.792 19.140 -14.145 471 HH21 ARG 62 HH21 ARG 62 -14.540 16.630 -13.388 472 HH22 ARG 62 HH22 ARG 62 -15.375 18.060 -12.832 473 H GLN 63 H GLN 63 -14.403 14.680 -21.682 474 HA GLN 63 HA GLN 63 -12.476 13.501 -19.949 475 HB2 GLN 63 HB2 GLN 63 -13.963 12.694 -22.221 476 HB3 GLN 63 HB3 GLN 63 -12.260 12.399 -22.596 477 HG2 GLN 63 HG2 GLN 63 -12.650 10.458 -21.481 478 HG3 GLN 63 HG3 GLN 63 -12.390 11.443 -20.044 479 HE21 GLN 63 HE21 GLN 63 -14.184 12.025 -18.719 480 HE22 GLN 63 HE22 GLN 63 -15.694 11.197 -18.871 481 H LEU 64 H LEU 64 -12.146 15.174 -23.102 482 HA LEU 64 HA LEU 64 -9.297 14.847 -23.220 483 HB2 LEU 64 HB2 LEU 64 -11.347 16.548 -24.601 484 HB3 LEU 64 HB3 LEU 64 -9.670 17.065 -24.703 485 HG LEU 64 HG LEU 64 -10.565 14.286 -25.463 486 HD11 LEU 64 HD11 LEU 64 -11.707 16.039 -26.845 487 HD12 LEU 64 HD12 LEU 64 -10.613 14.987 -27.772 488 HD13 LEU 64 HD13 LEU 64 -10.099 16.629 -27.322 489 HD21 LEU 64 HD21 LEU 64 -8.451 14.188 -26.679 490 HD22 LEU 64 HD22 LEU 64 -8.142 14.569 -24.972 491 HD23 LEU 64 HD23 LEU 64 -8.073 15.853 -26.189 492 H PHE 65 H PHE 65 -11.383 17.481 -21.956 493 HA PHE 65 HA PHE 65 -9.136 19.199 -21.449 494 HB2 PHE 65 HB2 PHE 65 -11.936 19.131 -20.273 495 HB3 PHE 65 HB3 PHE 65 -10.754 20.412 -19.950 496 HD1 PHE 65 HD2 PHE 65 -9.699 20.134 -23.081 497 HD2 PHE 65 HD1 PHE 65 -13.461 20.938 -21.121 498 HE1 PHE 65 HE2 PHE 65 -10.461 21.405 -25.068 499 HE2 PHE 65 HE1 PHE 65 -14.208 22.235 -23.124 500 HZ PHE 65 HZ PHE 65 -12.700 22.480 -25.091 501 H SER 66 H SER 66 -10.572 16.574 -19.585 502 HA SER 66 HA SER 66 -9.179 17.363 -17.116 503 HB2 SER 66 HB2 SER 66 -10.530 14.726 -17.840 504 HB3 SER 66 HB3 SER 66 -10.084 15.299 -16.215 505 HG SER 66 HG SER 66 -12.001 16.427 -17.981 506 H SER 67 H SER 67 -8.486 15.556 -19.996 507 HA SER 67 HA SER 67 -5.864 14.759 -18.919 508 HB2 SER 67 HB2 SER 67 -7.825 12.769 -20.114 509 HB3 SER 67 HB3 SER 67 -6.151 12.436 -19.625 510 HG SER 67 HG SER 67 -7.214 13.550 -17.542 511 HA PRO 68 HA PRO 68 -6.013 16.171 -23.278 512 HB2 PRO 68 HB2 PRO 68 -3.936 17.902 -23.307 513 HB3 PRO 68 HB3 PRO 68 -5.474 18.305 -22.499 514 HG2 PRO 68 HG2 PRO 68 -2.959 17.171 -21.285 515 HG3 PRO 68 HG3 PRO 68 -3.881 18.626 -20.800 516 HD2 PRO 68 HD2 PRO 68 -4.252 16.236 -19.576 517 HD3 PRO 68 HD3 PRO 68 -5.612 17.383 -19.851 518 H THR 69 H THR 69 -4.318 13.808 -22.009 519 HA THR 69 HA THR 69 -2.270 13.727 -24.174 520 HB THR 69 HB THR 69 -1.033 12.116 -22.764 521 HG1 THR 69 HG1 THR 69 -1.763 11.843 -20.599 522 HG21 THR 69 HG21 THR 69 -0.240 13.586 -21.085 523 HG22 THR 69 HG22 THR 69 -1.733 14.561 -21.135 524 HG23 THR 69 HG23 THR 69 -0.609 14.549 -22.523 525 HA PRO 70 HA PRO 70 -4.642 10.518 -25.745 526 HB2 PRO 70 HB2 PRO 70 -2.928 8.725 -26.915 527 HB3 PRO 70 HB3 PRO 70 -3.166 10.388 -27.535 528 HG2 PRO 70 HG2 PRO 70 -1.024 9.406 -25.757 529 HG3 PRO 70 HG3 PRO 70 -0.919 10.319 -27.285 530 HD2 PRO 70 HD2 PRO 70 -0.791 11.558 -24.912 531 HD3 PRO 70 HD3 PRO 70 -1.657 12.311 -26.293 532 H ALA 71 H ALA 71 -1.954 9.303 -23.608 533 HA ALA 71 HA ALA 71 -3.365 6.841 -23.036 534 HB1 ALA 71 HB1 ALA 71 -0.965 7.000 -22.743 535 HB2 ALA 71 HB2 ALA 71 -1.174 8.289 -21.525 536 HB3 ALA 71 HB3 ALA 71 -1.747 6.635 -21.192 537 H GLY 72 H GLY 72 -3.282 10.099 -21.662 538 HA2 GLY 72 HA2 GLY 72 -4.566 9.436 -19.187 539 HA3 GLY 72 HA3 GLY 72 -4.492 11.032 -19.950 540 H VAL 73 H VAL 73 -5.810 10.777 -22.289 541 HA VAL 73 HA VAL 73 -8.502 10.795 -21.377 542 HB VAL 73 HB VAL 73 -7.475 12.121 -23.296 543 HG11 VAL 73 HG11 VAL 73 -8.199 9.653 -24.929 544 HG12 VAL 73 HG12 VAL 73 -7.626 11.230 -25.530 545 HG13 VAL 73 HG13 VAL 73 -6.543 10.221 -24.545 546 HG21 VAL 73 HG21 VAL 73 -9.812 12.219 -22.712 547 HG22 VAL 73 HG22 VAL 73 -9.603 12.270 -24.512 548 HG23 VAL 73 HG23 VAL 73 -10.142 10.736 -23.701 549 H ALA 74 H ALA 74 -6.548 8.257 -22.950 550 HA ALA 74 HA ALA 74 -8.726 6.522 -23.620 551 HB1 ALA 74 HB1 ALA 74 -5.926 5.788 -22.650 552 HB2 ALA 74 HB2 ALA 74 -7.023 4.743 -23.576 553 HB3 ALA 74 HB3 ALA 74 -6.359 6.214 -24.314 554 H ARG 75 H ARG 75 -6.777 6.762 -20.578 555 HA ARG 75 HA ARG 75 -8.230 4.596 -19.372 556 HB2 ARG 75 HB2 ARG 75 -6.317 6.661 -18.246 557 HB3 ARG 75 HB3 ARG 75 -6.878 5.255 -17.422 558 HG2 ARG 75 HG2 ARG 75 -5.863 3.751 -19.045 559 HG3 ARG 75 HG3 ARG 75 -5.423 5.118 -20.063 560 HD2 ARG 75 HD2 ARG 75 -3.972 5.974 -18.183 561 HD3 ARG 75 HD3 ARG 75 -4.250 4.417 -17.362 562 HE ARG 75 HE ARG 75 -3.425 3.938 -20.063 563 HH11 ARG 75 HH11 ARG 75 -1.967 5.074 -17.026 564 HH12 ARG 75 HH12 ARG 75 -0.384 4.527 -17.521 565 HH21 ARG 75 HH21 ARG 75 -1.398 3.340 -20.588 566 HH22 ARG 75 HH22 ARG 75 -0.068 3.564 -19.489 567 H ALA 76 H ALA 76 -8.534 8.099 -19.485 568 HA ALA 76 HA ALA 76 -10.434 8.295 -17.318 569 HB1 ALA 76 HB1 ALA 76 -9.085 10.208 -18.164 570 HB2 ALA 76 HB2 ALA 76 -9.983 10.147 -19.702 571 HB3 ALA 76 HB3 ALA 76 -10.830 10.559 -18.193 572 H LEU 77 H LEU 77 -10.803 7.904 -20.876 573 HA LEU 77 HA LEU 77 -13.677 8.179 -20.701 574 HB2 LEU 77 HB2 LEU 77 -13.738 7.784 -23.017 575 HB3 LEU 77 HB3 LEU 77 -12.317 8.762 -22.700 576 HG LEU 77 HG LEU 77 -11.105 6.391 -22.781 577 HD11 LEU 77 HD11 LEU 77 -12.080 4.921 -24.497 578 HD12 LEU 77 HD12 LEU 77 -13.532 5.970 -24.555 579 HD13 LEU 77 HD13 LEU 77 -13.147 5.038 -23.078 580 HD21 LEU 77 HD21 LEU 77 -10.702 8.297 -24.276 581 HD22 LEU 77 HD22 LEU 77 -12.069 7.771 -25.273 582 HD23 LEU 77 HD23 LEU 77 -10.637 6.739 -25.116 583 H ALA 78 H ALA 78 -11.429 5.508 -20.508 584 HA ALA 78 HA ALA 78 -13.238 3.363 -20.979 585 HB1 ALA 78 HB1 ALA 78 -10.790 3.063 -20.720 586 HB2 ALA 78 HB2 ALA 78 -10.920 3.500 -18.995 587 HB3 ALA 78 HB3 ALA 78 -11.687 2.012 -19.592 588 H ALA 79 H ALA 79 -12.800 5.422 -18.129 589 HA ALA 79 HA ALA 79 -14.371 3.814 -16.355 590 HB1 ALA 79 HB1 ALA 79 -13.763 6.804 -16.279 591 HB2 ALA 79 HB2 ALA 79 -14.375 5.813 -14.922 592 HB3 ALA 79 HB3 ALA 79 -12.766 5.508 -15.584 593 H LYS 80 H LYS 80 -15.345 5.969 -18.969 594 HA LYS 80 HA LYS 80 -17.858 6.792 -17.840 595 HB2 LYS 80 HB2 LYS 80 -18.317 7.782 -19.829 596 HB3 LYS 80 HB3 LYS 80 -16.577 7.613 -20.033 597 HG2 LYS 80 HG2 LYS 80 -16.977 5.562 -21.401 598 HG3 LYS 80 HG3 LYS 80 -18.719 5.758 -21.197 599 HD2 LYS 80 HD2 LYS 80 -17.028 7.932 -22.476 600 HD3 LYS 80 HD3 LYS 80 -17.659 6.565 -23.407 601 HE2 LYS 80 HE2 LYS 80 -19.969 7.210 -22.335 602 HE3 LYS 80 HE3 LYS 80 -19.180 8.784 -22.027 603 HZ1 LYS 80 HZ1 LYS 80 -20.321 8.837 -24.177 604 HZ2 LYS 80 HZ2 LYS 80 -19.536 7.488 -24.680 605 HZ3 LYS 80 HZ3 LYS 80 -18.699 8.878 -24.460 606 H SER 81 H SER 81 -16.795 3.735 -19.109 607 HA SER 81 HA SER 81 -19.340 2.770 -19.979 608 HB2 SER 81 HB2 SER 81 -16.988 1.214 -18.822 609 HB3 SER 81 HB3 SER 81 -18.283 0.567 -19.854 610 HG SER 81 HG SER 81 -16.175 1.253 -20.837 611 H ALA 82 H ALA 82 -17.830 2.989 -16.765 612 HA ALA 82 HA ALA 82 -19.818 1.265 -15.498 613 HB1 ALA 82 HB1 ALA 82 -18.891 2.210 -13.388 614 HB2 ALA 82 HB2 ALA 82 -17.592 1.598 -14.449 615 HB3 ALA 82 HB3 ALA 82 -17.919 3.345 -14.332 616 H SER 83 H SER 83 -19.308 4.688 -16.150 617 HA SER 83 HA SER 83 -21.597 5.603 -14.633 618 HB2 SER 83 HB2 SER 83 -20.054 7.054 -16.791 619 HB3 SER 83 HB3 SER 83 -21.000 7.770 -15.475 620 HG SER 83 HG SER 83 -19.479 6.619 -14.048 621 H TRP 84 H TRP 84 -21.611 3.855 -17.413 622 HA TRP 84 HA TRP 84 -23.553 5.422 -18.927 623 HB2 TRP 84 HB2 TRP 84 -21.821 3.634 -19.745 624 HB3 TRP 84 HB3 TRP 84 -23.048 2.463 -19.255 625 HD1 TRP 84 HD1 TRP 84 -22.343 5.133 -21.888 626 HE1 TRP 84 HE1 TRP 84 -23.990 4.966 -23.821 627 HE3 TRP 84 HE3 TRP 84 -25.497 1.697 -19.818 628 HZ2 TRP 84 HZ2 TRP 84 -26.406 3.562 -24.396 629 HZ3 TRP 84 HZ3 TRP 84 -27.505 0.964 -21.125 630 HH2 TRP 84 HH2 TRP 84 -27.949 1.902 -23.393 631 H SER 85 H SER 85 -23.527 3.147 -16.324 632 HA SER 85 HA SER 85 -26.279 2.260 -16.619 633 HB2 SER 85 HB2 SER 85 -25.984 1.293 -14.412 634 HB3 SER 85 HB3 SER 85 -24.583 0.912 -15.427 635 HG SER 85 HG SER 85 -23.423 2.556 -14.362 636 H HIS 86 H HIS 86 -28.008 2.856 -15.156 637 HA HIS 86 HA HIS 86 -28.306 5.683 -14.908 638 HB2 HIS 86 HB2 HIS 86 -29.834 3.373 -13.659 639 HB3 HIS 86 HB3 HIS 86 -30.299 5.055 -13.438 640 HD1 HIS 86 HD1 HIS 86 -31.037 6.392 -15.654 641 HD2 HIS 86 HD2 HIS 86 -30.707 2.254 -16.054 642 HE1 HIS 86 HE1 HIS 86 -32.281 5.768 -17.768 643 HA PRO 87 HA PRO 87 -26.372 6.296 -10.933 644 HB2 PRO 87 HB2 PRO 87 -27.521 8.666 -10.182 645 HB3 PRO 87 HB3 PRO 87 -26.332 8.583 -11.521 646 HG2 PRO 87 HG2 PRO 87 -29.336 8.555 -11.669 647 HG3 PRO 87 HG3 PRO 87 -28.181 9.609 -12.544 648 HD2 PRO 87 HD2 PRO 87 -29.243 7.415 -13.666 649 HD3 PRO 87 HD3 PRO 87 -27.527 7.882 -13.969 650 H GLN 88 H GLN 88 -27.069 6.672 -8.571 651 HA GLN 88 HA GLN 88 -29.128 4.833 -7.861 652 HB2 GLN 88 HB2 GLN 88 -27.708 6.992 -6.271 653 HB3 GLN 88 HB3 GLN 88 -28.773 5.784 -5.554 654 HG2 GLN 88 HG2 GLN 88 -27.282 3.993 -6.242 655 HG3 GLN 88 HG3 GLN 88 -26.257 5.139 -7.113 656 HE21 GLN 88 HE21 GLN 88 -26.559 3.445 -4.274 657 HE22 GLN 88 HE22 GLN 88 -25.525 4.420 -3.271 658 H PHE 89 H PHE 89 -29.144 8.353 -8.215 659 HA PHE 89 HA PHE 89 -32.033 8.374 -7.469 660 HB2 PHE 89 HB2 PHE 89 -29.978 10.591 -7.658 661 HB3 PHE 89 HB3 PHE 89 -31.712 10.863 -7.446 662 HD1 PHE 89 HD1 PHE 89 -32.862 10.097 -5.357 663 HD2 PHE 89 HD2 PHE 89 -28.582 9.930 -5.796 664 HE1 PHE 89 HE1 PHE 89 -32.622 9.862 -2.891 665 HE2 PHE 89 HE2 PHE 89 -28.334 9.714 -3.326 666 HZ PHE 89 HZ PHE 89 -30.359 9.669 -1.865 667 H GLU 90 H GLU 90 -33.234 8.038 -9.207 668 HA GLU 90 HA GLU 90 -32.562 9.458 -11.730 669 HB2 GLU 90 HB2 GLU 90 -31.757 7.096 -11.860 670 HB3 GLU 90 HB3 GLU 90 -33.376 6.536 -11.441 671 HG2 GLU 90 HG2 GLU 90 -32.941 6.285 -13.821 672 HG3 GLU 90 HG3 GLU 90 -34.247 7.448 -13.555 673 H LYS 91 H LYS 91 -34.587 9.632 -13.042 674 HA LYS 91 HA LYS 91 -36.856 10.245 -11.222 675 HB2 LYS 91 HB2 LYS 91 -36.377 10.741 -14.187 676 HB3 LYS 91 HB3 LYS 91 -37.880 11.106 -13.379 677 HG2 LYS 91 HG2 LYS 91 -36.757 13.172 -13.514 678 HG3 LYS 91 HG3 LYS 91 -36.623 12.662 -11.835 679 HD2 LYS 91 HD2 LYS 91 -34.528 13.666 -12.678 680 HD3 LYS 91 HD3 LYS 91 -34.286 12.004 -12.168 681 HE2 LYS 91 HE2 LYS 91 -33.099 12.471 -14.269 682 HE3 LYS 91 HE3 LYS 91 -34.340 11.236 -14.501 683 HZ1 LYS 91 HZ1 LYS 91 -35.777 12.951 -15.406 684 HZ2 LYS 91 HZ2 LYS 91 -34.380 12.801 -16.279 685 HZ3 LYS 91 HZ3 LYS 91 -34.588 14.077 -15.252 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.867 2.820 -7.046 2 HA2 GLY 1 HA2 GLY 1 14.445 2.514 -9.318 3 HA3 GLY 1 HA3 GLY 1 13.076 1.385 -9.382 4 H ALA 2 H ALA 2 12.963 2.336 -11.668 5 HA ALA 2 HA ALA 2 12.005 5.044 -12.008 6 HB1 ALA 2 HB1 ALA 2 11.241 4.209 -14.219 7 HB2 ALA 2 HB2 ALA 2 12.913 3.662 -13.885 8 HB3 ALA 2 HB3 ALA 2 11.545 2.530 -13.700 9 H MET 3 H MET 3 9.697 5.572 -12.551 10 HA MET 3 HA MET 3 7.909 4.475 -10.592 11 HB2 MET 3 HB2 MET 3 7.385 6.197 -13.038 12 HB3 MET 3 HB3 MET 3 6.203 5.887 -11.759 13 HG2 MET 3 HG2 MET 3 7.642 6.988 -10.130 14 HG3 MET 3 HG3 MET 3 8.876 7.279 -11.395 15 HE1 MET 3 HE1 MET 3 8.836 9.827 -10.692 16 HE2 MET 3 HE2 MET 3 7.415 10.874 -10.852 17 HE3 MET 3 HE3 MET 3 7.477 9.655 -9.542 18 H ALA 4 H ALA 4 6.406 2.888 -10.786 19 HA ALA 4 HA ALA 4 6.423 1.204 -13.162 20 HB1 ALA 4 HB1 ALA 4 4.634 -0.050 -11.949 21 HB2 ALA 4 HB2 ALA 4 6.040 0.234 -10.896 22 HB3 ALA 4 HB3 ALA 4 4.579 1.237 -10.722 23 H LYS 5 H LYS 5 5.014 1.324 -14.868 24 HA LYS 5 HA LYS 5 3.141 3.596 -14.909 25 HB2 LYS 5 HB2 LYS 5 4.791 2.728 -16.793 26 HB3 LYS 5 HB3 LYS 5 3.498 1.541 -17.111 27 HG2 LYS 5 HG2 LYS 5 3.179 3.366 -18.638 28 HG3 LYS 5 HG3 LYS 5 1.915 3.525 -17.408 29 HD2 LYS 5 HD2 LYS 5 3.261 5.267 -16.249 30 HD3 LYS 5 HD3 LYS 5 4.554 5.056 -17.452 31 HE2 LYS 5 HE2 LYS 5 2.946 5.725 -19.237 32 HE3 LYS 5 HE3 LYS 5 1.707 5.995 -17.997 33 HZ1 LYS 5 HZ1 LYS 5 4.266 7.462 -18.237 34 HZ2 LYS 5 HZ2 LYS 5 3.156 7.715 -17.045 35 HZ3 LYS 5 HZ3 LYS 5 2.782 8.066 -18.614 36 H ALA 6 H ALA 6 0.882 3.337 -15.146 37 HA ALA 6 HA ALA 6 -0.262 0.974 -13.932 38 HB1 ALA 6 HB1 ALA 6 -1.571 3.188 -15.620 39 HB2 ALA 6 HB2 ALA 6 -2.411 2.044 -14.534 40 HB3 ALA 6 HB3 ALA 6 -1.322 3.247 -13.844 41 HA PRO 7 HA PRO 7 -0.475 -1.463 -17.594 42 HB2 PRO 7 HB2 PRO 7 -2.966 -2.686 -17.561 43 HB3 PRO 7 HB3 PRO 7 -1.599 -3.193 -16.489 44 HG2 PRO 7 HG2 PRO 7 -3.933 -1.330 -15.879 45 HG3 PRO 7 HG3 PRO 7 -3.295 -2.710 -14.911 46 HD2 PRO 7 HD2 PRO 7 -2.645 -0.153 -14.343 47 HD3 PRO 7 HD3 PRO 7 -1.441 -1.477 -14.169 48 H GLU 8 H GLU 8 -0.975 -1.100 -19.744 49 HA GLU 8 HA GLU 8 -2.214 1.376 -20.384 50 HB2 GLU 8 HB2 GLU 8 -0.339 0.236 -21.602 51 HB3 GLU 8 HB3 GLU 8 -1.523 -0.930 -22.229 52 HG2 GLU 8 HG2 GLU 8 -2.756 0.922 -23.337 53 HG3 GLU 8 HG3 GLU 8 -1.547 2.068 -22.727 54 H SER 9 H SER 9 -4.215 1.906 -20.890 55 HA SER 9 HA SER 9 -6.252 -0.261 -20.949 56 HB2 SER 9 HB2 SER 9 -6.571 1.754 -19.512 57 HB3 SER 9 HB3 SER 9 -6.502 2.776 -20.962 58 HG SER 9 HG SER 9 -8.472 0.920 -20.153 59 H ALA 10 H ALA 10 -7.634 -0.568 -22.728 60 HA ALA 10 HA ALA 10 -6.552 -0.189 -25.308 61 HB1 ALA 10 HB1 ALA 10 -9.476 -0.596 -24.497 62 HB2 ALA 10 HB2 ALA 10 -8.788 -0.831 -26.135 63 HB3 ALA 10 HB3 ALA 10 -8.282 -1.870 -24.817 64 H THR 11 H THR 11 -8.751 1.820 -23.367 65 HA THR 11 HA THR 11 -9.575 3.644 -25.354 66 HB THR 11 HB THR 11 -9.049 4.794 -22.665 67 HG1 THR 11 HG1 THR 11 -10.125 3.280 -21.536 68 HG21 THR 11 HG21 THR 11 -10.680 5.688 -24.328 69 HG22 THR 11 HG22 THR 11 -11.462 5.274 -22.783 70 HG23 THR 11 HG23 THR 11 -11.633 4.190 -24.186 71 H GLU 12 H GLU 12 -6.666 3.670 -23.258 72 HA GLU 12 HA GLU 12 -5.828 6.336 -23.965 73 HB2 GLU 12 HB2 GLU 12 -4.253 3.908 -23.027 74 HB3 GLU 12 HB3 GLU 12 -3.551 5.508 -23.248 75 HG2 GLU 12 HG2 GLU 12 -4.967 6.450 -21.542 76 HG3 GLU 12 HG3 GLU 12 -5.920 4.977 -21.445 77 H LYS 13 H LYS 13 -5.300 3.135 -25.384 78 HA LYS 13 HA LYS 13 -3.282 3.953 -27.240 79 HB2 LYS 13 HB2 LYS 13 -5.290 1.691 -27.499 80 HB3 LYS 13 HB3 LYS 13 -3.780 1.870 -28.387 81 HG2 LYS 13 HG2 LYS 13 -2.507 1.708 -26.288 82 HG3 LYS 13 HG3 LYS 13 -4.007 1.529 -25.392 83 HD2 LYS 13 HD2 LYS 13 -3.273 -0.658 -25.596 84 HD3 LYS 13 HD3 LYS 13 -4.486 -0.497 -26.905 85 HE2 LYS 13 HE2 LYS 13 -2.707 -0.185 -28.565 86 HE3 LYS 13 HE3 LYS 13 -1.475 -0.143 -27.266 87 HZ1 LYS 13 HZ1 LYS 13 -3.209 -2.497 -27.856 88 HZ2 LYS 13 HZ2 LYS 13 -2.003 -2.404 -26.754 89 HZ3 LYS 13 HZ3 LYS 13 -1.651 -2.329 -28.351 90 H VAL 14 H VAL 14 -6.834 3.807 -27.447 91 HA VAL 14 HA VAL 14 -6.992 4.466 -30.252 92 HB VAL 14 HB VAL 14 -9.003 4.867 -27.950 93 HG11 VAL 14 HG11 VAL 14 -9.578 6.513 -29.629 94 HG12 VAL 14 HG12 VAL 14 -9.358 5.307 -30.946 95 HG13 VAL 14 HG13 VAL 14 -10.706 5.131 -29.782 96 HG21 VAL 14 HG21 VAL 14 -10.143 2.904 -28.932 97 HG22 VAL 14 HG22 VAL 14 -8.888 2.774 -30.171 98 HG23 VAL 14 HG23 VAL 14 -8.478 2.511 -28.473 99 H LEU 15 H LEU 15 -7.310 6.365 -27.218 100 HA LEU 15 HA LEU 15 -7.594 8.892 -28.464 101 HB2 LEU 15 HB2 LEU 15 -6.446 8.034 -25.790 102 HB3 LEU 15 HB3 LEU 15 -6.733 9.719 -26.222 103 HG LEU 15 HG LEU 15 -8.910 7.594 -26.301 104 HD11 LEU 15 HD11 LEU 15 -9.512 8.252 -24.055 105 HD12 LEU 15 HD12 LEU 15 -8.167 9.414 -24.004 106 HD13 LEU 15 HD13 LEU 15 -7.842 7.673 -24.111 107 HD21 LEU 15 HD21 LEU 15 -10.405 9.578 -25.958 108 HD22 LEU 15 HD22 LEU 15 -9.485 9.651 -27.490 109 HD23 LEU 15 HD23 LEU 15 -8.982 10.636 -26.093 110 H CYS 16 H CYS 16 -4.570 7.216 -27.477 111 HA CYS 16 HA CYS 16 -2.801 9.358 -28.180 112 HB2 CYS 16 HB2 CYS 16 -2.586 6.375 -27.962 113 HB3 CYS 16 HB3 CYS 16 -1.285 7.218 -28.820 114 HG CYS 16 HG CYS 16 -0.625 8.813 -26.945 115 H ALA 17 H ALA 17 -4.151 6.729 -30.280 116 HA ALA 17 HA ALA 17 -2.599 7.599 -32.549 117 HB1 ALA 17 HB1 ALA 17 -4.098 6.116 -33.826 118 HB2 ALA 17 HB2 ALA 17 -3.500 5.309 -32.363 119 HB3 ALA 17 HB3 ALA 17 -5.162 5.928 -32.398 120 H LEU 18 H LEU 18 -5.932 8.292 -31.404 121 HA LEU 18 HA LEU 18 -6.641 9.748 -33.782 122 HB2 LEU 18 HB2 LEU 18 -7.728 10.078 -30.963 123 HB3 LEU 18 HB3 LEU 18 -8.430 10.762 -32.444 124 HG LEU 18 HG LEU 18 -8.293 7.833 -31.658 125 HD11 LEU 18 HD11 LEU 18 -10.694 7.949 -31.708 126 HD12 LEU 18 HD12 LEU 18 -10.650 9.605 -32.332 127 HD13 LEU 18 HD13 LEU 18 -10.078 9.258 -30.695 128 HD21 LEU 18 HD21 LEU 18 -9.097 8.991 -34.337 129 HD22 LEU 18 HD22 LEU 18 -9.404 7.351 -33.813 130 HD23 LEU 18 HD23 LEU 18 -7.768 7.877 -34.023 131 H TYR 19 H TYR 19 -4.930 10.703 -30.815 132 HA TYR 19 HA TYR 19 -4.985 13.545 -31.232 133 HB2 TYR 19 HB2 TYR 19 -3.183 11.571 -29.893 134 HB3 TYR 19 HB3 TYR 19 -2.474 13.122 -30.259 135 HD1 TYR 19 HD1 TYR 19 -5.959 12.222 -28.992 136 HD2 TYR 19 HD2 TYR 19 -2.243 14.325 -28.229 137 HE1 TYR 19 HE1 TYR 19 -6.894 13.160 -26.888 138 HE2 TYR 19 HE2 TYR 19 -3.216 15.230 -26.125 139 HH TYR 19 HH TYR 19 -6.520 14.475 -25.039 140 H ALA 20 H ALA 20 -2.845 10.939 -32.515 141 HA ALA 20 HA ALA 20 -1.106 12.687 -33.909 142 HB1 ALA 20 HB1 ALA 20 -1.802 9.816 -34.780 143 HB2 ALA 20 HB2 ALA 20 -0.272 10.708 -35.031 144 HB3 ALA 20 HB3 ALA 20 -0.761 10.176 -33.393 145 H GLU 21 H GLU 21 -4.174 11.223 -34.935 146 HA GLU 21 HA GLU 21 -3.917 11.869 -37.682 147 HB2 GLU 21 HB2 GLU 21 -6.440 11.419 -36.025 148 HB3 GLU 21 HB3 GLU 21 -6.351 11.509 -37.784 149 HG2 GLU 21 HG2 GLU 21 -4.971 9.484 -37.832 150 HG3 GLU 21 HG3 GLU 21 -5.046 9.364 -36.078 151 H ILE 22 H ILE 22 -5.197 13.532 -34.903 152 HA ILE 22 HA ILE 22 -6.455 15.619 -36.507 153 HB ILE 22 HB ILE 22 -6.082 15.170 -33.540 154 HG12 ILE 22 HG12 ILE 22 -7.498 13.556 -34.785 155 HG13 ILE 22 HG13 ILE 22 -8.429 14.413 -33.594 156 HG21 ILE 22 HG21 ILE 22 -7.601 17.397 -34.996 157 HG22 ILE 22 HG22 ILE 22 -7.994 16.947 -33.321 158 HG23 ILE 22 HG23 ILE 22 -6.383 17.555 -33.733 159 HD11 ILE 22 HD11 ILE 22 -9.423 15.824 -35.334 160 HD12 ILE 22 HD12 ILE 22 -8.451 14.906 -36.550 161 HD13 ILE 22 HD13 ILE 22 -9.723 14.105 -35.619 162 H LEU 23 H LEU 23 -3.587 15.315 -34.435 163 HA LEU 23 HA LEU 23 -2.953 18.188 -34.749 164 HB2 LEU 23 HB2 LEU 23 -1.554 15.862 -33.383 165 HB3 LEU 23 HB3 LEU 23 -0.930 17.516 -33.403 166 HG LEU 23 HG LEU 23 -3.743 16.996 -32.372 167 HD11 LEU 23 HD11 LEU 23 -1.156 16.460 -30.911 168 HD12 LEU 23 HD12 LEU 23 -2.484 15.321 -31.243 169 HD13 LEU 23 HD13 LEU 23 -2.740 16.672 -30.101 170 HD21 LEU 23 HD21 LEU 23 -1.560 18.898 -31.446 171 HD22 LEU 23 HD22 LEU 23 -3.276 18.897 -30.986 172 HD23 LEU 23 HD23 LEU 23 -2.795 19.298 -32.668 173 H GLY 24 H GLY 24 -2.185 15.154 -36.301 174 HA2 GLY 24 HA2 GLY 24 -0.995 14.810 -38.228 175 HA3 GLY 24 HA3 GLY 24 -0.644 16.549 -38.305 176 H VAL 25 H VAL 25 0.175 14.547 -35.483 177 HA VAL 25 HA VAL 25 3.016 15.188 -36.054 178 HB VAL 25 HB VAL 25 3.401 14.846 -33.605 179 HG11 VAL 25 HG11 VAL 25 2.384 16.943 -32.872 180 HG12 VAL 25 HG12 VAL 25 2.940 17.090 -34.561 181 HG13 VAL 25 HG13 VAL 25 1.218 16.851 -34.203 182 HG21 VAL 25 HG21 VAL 25 0.370 14.664 -33.381 183 HG22 VAL 25 HG22 VAL 25 1.483 13.300 -33.149 184 HG23 VAL 25 HG23 VAL 25 1.554 14.688 -32.040 185 H GLU 26 H GLU 26 4.637 13.694 -35.698 186 HA GLU 26 HA GLU 26 4.103 11.213 -36.941 187 HB2 GLU 26 HB2 GLU 26 6.478 11.915 -35.177 188 HB3 GLU 26 HB3 GLU 26 6.438 10.702 -36.449 189 HG2 GLU 26 HG2 GLU 26 6.199 13.715 -36.824 190 HG3 GLU 26 HG3 GLU 26 7.636 12.717 -37.153 191 H ARG 27 H ARG 27 4.192 11.942 -33.465 192 HA ARG 27 HA ARG 27 3.263 9.222 -32.852 193 HB2 ARG 27 HB2 ARG 27 5.971 9.623 -32.838 194 HB3 ARG 27 HB3 ARG 27 5.520 9.995 -31.166 195 HG2 ARG 27 HG2 ARG 27 4.442 7.843 -30.911 196 HG3 ARG 27 HG3 ARG 27 4.800 7.444 -32.616 197 HD2 ARG 27 HD2 ARG 27 7.218 7.635 -32.168 198 HD3 ARG 27 HD3 ARG 27 6.871 8.021 -30.470 199 HE ARG 27 HE ARG 27 6.528 5.399 -31.798 200 HH11 ARG 27 HH11 ARG 27 6.157 7.284 -28.868 201 HH12 ARG 27 HH12 ARG 27 6.007 5.861 -27.853 202 HH21 ARG 27 HH21 ARG 27 6.288 3.617 -30.468 203 HH22 ARG 27 HH22 ARG 27 6.038 3.830 -28.750 204 H VAL 28 H VAL 28 2.591 9.115 -30.566 205 HA VAL 28 HA VAL 28 2.265 11.803 -29.302 206 HB VAL 28 HB VAL 28 0.081 9.748 -29.434 207 HG11 VAL 28 HG11 VAL 28 -0.033 10.994 -27.474 208 HG12 VAL 28 HG12 VAL 28 0.181 12.508 -28.364 209 HG13 VAL 28 HG13 VAL 28 -1.291 11.551 -28.586 210 HG21 VAL 28 HG21 VAL 28 -1.022 11.284 -31.018 211 HG22 VAL 28 HG22 VAL 28 0.337 12.398 -30.911 212 HG23 VAL 28 HG23 VAL 28 0.557 10.804 -31.682 213 H GLY 29 H GLY 29 2.906 11.582 -27.089 214 HA2 GLY 29 HA2 GLY 29 3.361 8.845 -25.940 215 HA3 GLY 29 HA3 GLY 29 3.775 10.413 -25.186 216 H VAL 30 H VAL 30 2.355 8.370 -23.750 217 HA VAL 30 HA VAL 30 -0.490 8.882 -23.883 218 HB VAL 30 HB VAL 30 -0.504 7.899 -21.513 219 HG11 VAL 30 HG11 VAL 30 -1.078 6.688 -23.583 220 HG12 VAL 30 HG12 VAL 30 0.608 6.189 -23.748 221 HG13 VAL 30 HG13 VAL 30 -0.315 5.637 -22.337 222 HG21 VAL 30 HG21 VAL 30 1.463 6.678 -20.788 223 HG22 VAL 30 HG22 VAL 30 2.385 7.155 -22.214 224 HG23 VAL 30 HG23 VAL 30 1.923 8.386 -20.992 225 H ASP 31 H ASP 31 2.167 10.592 -22.476 226 HA ASP 31 HA ASP 31 0.319 12.188 -20.776 227 HB2 ASP 31 HB2 ASP 31 3.336 11.909 -20.737 228 HB3 ASP 31 HB3 ASP 31 2.414 12.907 -19.627 229 H ASP 32 H ASP 32 0.942 12.340 -23.833 230 HA ASP 32 HA ASP 32 2.556 14.781 -24.076 231 HB2 ASP 32 HB2 ASP 32 1.886 12.611 -25.733 232 HB3 ASP 32 HB3 ASP 32 0.990 13.943 -26.422 233 H ALA 33 H ALA 33 1.738 16.830 -24.067 234 HA ALA 33 HA ALA 33 -1.119 17.060 -23.577 235 HB1 ALA 33 HB1 ALA 33 0.429 18.420 -22.297 236 HB2 ALA 33 HB2 ALA 33 1.063 19.149 -23.784 237 HB3 ALA 33 HB3 ALA 33 -0.596 19.493 -23.285 238 H PHE 34 H PHE 34 -2.677 17.618 -24.884 239 HA PHE 34 HA PHE 34 -2.443 17.572 -27.693 240 HB2 PHE 34 HB2 PHE 34 -4.501 17.268 -26.369 241 HB3 PHE 34 HB3 PHE 34 -4.549 19.003 -26.061 242 HD1 PHE 34 HD1 PHE 34 -4.656 16.457 -28.793 243 HD2 PHE 34 HD2 PHE 34 -5.511 20.521 -27.672 244 HE1 PHE 34 HE1 PHE 34 -5.912 16.777 -30.939 245 HE2 PHE 34 HE2 PHE 34 -6.803 20.835 -29.817 246 HZ PHE 34 HZ PHE 34 -7.008 18.937 -31.437 247 H HIS 35 H HIS 35 -2.343 20.453 -25.521 248 HA HIS 35 HA HIS 35 -2.271 22.265 -27.797 249 HB2 HIS 35 HB2 HIS 35 -1.864 24.012 -26.074 250 HB3 HIS 35 HB3 HIS 35 -3.333 23.046 -25.826 251 HD1 HIS 35 HD1 HIS 35 -3.606 21.914 -23.570 252 HD2 HIS 35 HD2 HIS 35 0.302 23.159 -24.297 253 HE1 HIS 35 HE1 HIS 35 -2.308 21.588 -21.406 254 H ASP 36 H ASP 36 0.153 20.489 -26.052 255 HA ASP 36 HA ASP 36 2.339 22.360 -26.575 256 HB2 ASP 36 HB2 ASP 36 2.243 20.613 -24.736 257 HB3 ASP 36 HB3 ASP 36 2.505 19.389 -25.995 258 H LEU 37 H LEU 37 0.838 19.519 -27.969 259 HA LEU 37 HA LEU 37 2.674 19.263 -30.191 260 HB2 LEU 37 HB2 LEU 37 -0.069 18.115 -29.619 261 HB3 LEU 37 HB3 LEU 37 0.955 17.614 -30.965 262 HG LEU 37 HG LEU 37 1.766 17.347 -28.062 263 HD11 LEU 37 HD11 LEU 37 1.110 15.031 -28.227 264 HD12 LEU 37 HD12 LEU 37 0.492 15.276 -29.857 265 HD13 LEU 37 HD13 LEU 37 -0.284 16.088 -28.481 266 HD21 LEU 37 HD21 LEU 37 2.791 16.019 -30.584 267 HD22 LEU 37 HD22 LEU 37 3.295 15.653 -28.903 268 HD23 LEU 37 HD23 LEU 37 3.625 17.253 -29.610 269 H GLY 38 H GLY 38 0.931 21.860 -29.682 270 HA2 GLY 38 HA2 GLY 38 0.494 23.505 -31.276 271 HA3 GLY 38 HA3 GLY 38 0.468 22.267 -32.540 272 H GLY 39 H GLY 39 -1.555 21.464 -29.895 273 HA2 GLY 39 HA2 GLY 39 -3.883 21.693 -31.573 274 HA3 GLY 39 HA3 GLY 39 -3.824 21.162 -29.905 275 H SER 40 H SER 40 -5.929 22.606 -30.854 276 HA SER 40 HA SER 40 -5.810 25.003 -29.136 277 HB2 SER 40 HB2 SER 40 -6.822 26.424 -30.876 278 HB3 SER 40 HB3 SER 40 -5.233 25.827 -31.400 279 HG SER 40 HG SER 40 -6.136 24.686 -32.906 280 H SER 41 H SER 41 -8.101 25.846 -28.800 281 HA SER 41 HA SER 41 -9.936 23.777 -28.179 282 HB2 SER 41 HB2 SER 41 -10.743 26.630 -28.880 283 HB3 SER 41 HB3 SER 41 -11.444 25.551 -27.640 284 HG SER 41 HG SER 41 -10.019 27.183 -26.750 285 H ALA 42 H ALA 42 -9.548 25.737 -31.107 286 HA ALA 42 HA ALA 42 -11.996 24.883 -32.368 287 HB1 ALA 42 HB1 ALA 42 -10.841 25.690 -34.454 288 HB2 ALA 42 HB2 ALA 42 -10.833 26.882 -33.111 289 HB3 ALA 42 HB3 ALA 42 -9.362 25.956 -33.489 290 H LEU 43 H LEU 43 -8.637 23.706 -32.490 291 HA LEU 43 HA LEU 43 -9.144 21.713 -34.477 292 HB2 LEU 43 HB2 LEU 43 -6.931 22.691 -33.747 293 HB3 LEU 43 HB3 LEU 43 -7.063 21.690 -32.291 294 HG LEU 43 HG LEU 43 -7.150 19.683 -33.828 295 HD11 LEU 43 HD11 LEU 43 -7.762 20.935 -35.890 296 HD12 LEU 43 HD12 LEU 43 -6.309 19.902 -36.091 297 HD13 LEU 43 HD13 LEU 43 -6.139 21.675 -35.876 298 HD21 LEU 43 HD21 LEU 43 -5.144 20.197 -32.624 299 HD22 LEU 43 HD22 LEU 43 -4.675 21.400 -33.862 300 HD23 LEU 43 HD23 LEU 43 -4.734 19.652 -34.269 301 H ALA 44 H ALA 44 -9.303 21.782 -30.958 302 HA ALA 44 HA ALA 44 -9.580 19.030 -30.429 303 HB1 ALA 44 HB1 ALA 44 -10.584 19.715 -28.331 304 HB2 ALA 44 HB2 ALA 44 -9.241 20.811 -28.728 305 HB3 ALA 44 HB3 ALA 44 -10.931 21.336 -28.961 306 H MET 45 H MET 45 -11.970 21.304 -31.729 307 HA MET 45 HA MET 45 -14.303 19.797 -31.154 308 HB2 MET 45 HB2 MET 45 -13.712 21.476 -33.610 309 HB3 MET 45 HB3 MET 45 -15.288 20.902 -33.084 310 HG2 MET 45 HG2 MET 45 -15.127 22.205 -31.003 311 HG3 MET 45 HG3 MET 45 -13.542 22.811 -31.516 312 HE1 MET 45 HE1 MET 45 -17.679 23.974 -33.402 313 HE2 MET 45 HE2 MET 45 -17.170 22.276 -33.374 314 HE3 MET 45 HE3 MET 45 -17.488 23.130 -31.841 315 H ARG 46 H ARG 46 -11.851 19.431 -33.708 316 HA ARG 46 HA ARG 46 -13.460 17.465 -35.193 317 HB2 ARG 46 HB2 ARG 46 -10.492 18.100 -35.290 318 HB3 ARG 46 HB3 ARG 46 -11.326 17.011 -36.415 319 HG2 ARG 46 HG2 ARG 46 -11.848 18.794 -37.684 320 HG3 ARG 46 HG3 ARG 46 -12.773 19.482 -36.332 321 HD2 ARG 46 HD2 ARG 46 -11.234 21.134 -36.676 322 HD3 ARG 46 HD3 ARG 46 -10.459 20.175 -35.459 323 HE ARG 46 HE ARG 46 -8.900 19.308 -37.093 324 HH11 ARG 46 HH11 ARG 46 -11.121 21.642 -38.528 325 HH12 ARG 46 HH12 ARG 46 -10.125 21.859 -39.932 326 HH21 ARG 46 HH21 ARG 46 -7.644 19.621 -38.969 327 HH22 ARG 46 HH22 ARG 46 -8.166 20.739 -40.211 328 H LEU 47 H LEU 47 -10.989 17.383 -32.678 329 HA LEU 47 HA LEU 47 -10.481 14.587 -32.772 330 HB2 LEU 47 HB2 LEU 47 -8.994 16.165 -31.552 331 HB3 LEU 47 HB3 LEU 47 -10.336 16.543 -30.510 332 HG LEU 47 HG LEU 47 -10.289 14.256 -29.547 333 HD11 LEU 47 HD11 LEU 47 -7.877 13.915 -31.349 334 HD12 LEU 47 HD12 LEU 47 -9.407 12.991 -31.418 335 HD13 LEU 47 HD13 LEU 47 -8.324 12.836 -30.019 336 HD21 LEU 47 HD21 LEU 47 -8.332 14.571 -28.279 337 HD22 LEU 47 HD22 LEU 47 -8.982 16.181 -28.654 338 HD23 LEU 47 HD23 LEU 47 -7.566 15.540 -29.553 339 H ILE 48 H ILE 48 -12.794 16.580 -30.919 340 HA ILE 48 HA ILE 48 -13.974 14.413 -29.488 341 HB ILE 48 HB ILE 48 -15.145 17.090 -30.428 342 HG12 ILE 48 HG12 ILE 48 -14.347 16.295 -27.613 343 HG13 ILE 48 HG13 ILE 48 -13.142 16.918 -28.741 344 HG21 ILE 48 HG21 ILE 48 -16.297 15.175 -28.325 345 HG22 ILE 48 HG22 ILE 48 -16.943 16.764 -28.746 346 HG23 ILE 48 HG23 ILE 48 -16.980 15.449 -29.927 347 HD11 ILE 48 HD11 ILE 48 -15.624 18.400 -27.750 348 HD12 ILE 48 HD12 ILE 48 -13.928 18.725 -27.351 349 HD13 ILE 48 HD13 ILE 48 -14.498 19.012 -29.021 350 H ALA 49 H ALA 49 -14.689 15.829 -32.701 351 HA ALA 49 HA ALA 49 -16.970 14.207 -33.213 352 HB1 ALA 49 HB1 ALA 49 -16.611 14.817 -35.564 353 HB2 ALA 49 HB2 ALA 49 -16.328 16.241 -34.540 354 HB3 ALA 49 HB3 ALA 49 -14.944 15.346 -35.193 355 H ARG 50 H ARG 50 -13.478 13.714 -33.832 356 HA ARG 50 HA ARG 50 -13.702 11.266 -35.296 357 HB2 ARG 50 HB2 ARG 50 -11.664 12.753 -34.910 358 HB3 ARG 50 HB3 ARG 50 -11.502 11.899 -33.375 359 HG2 ARG 50 HG2 ARG 50 -10.035 10.941 -35.055 360 HG3 ARG 50 HG3 ARG 50 -11.377 9.797 -34.828 361 HD2 ARG 50 HD2 ARG 50 -12.490 10.609 -36.827 362 HD3 ARG 50 HD3 ARG 50 -11.244 11.847 -37.082 363 HE ARG 50 HE ARG 50 -9.602 9.957 -37.270 364 HH11 ARG 50 HH11 ARG 50 -13.020 9.263 -38.059 365 HH12 ARG 50 HH12 ARG 50 -12.556 7.856 -39.003 366 HH21 ARG 50 HH21 ARG 50 -9.162 8.223 -38.403 367 HH22 ARG 50 HH22 ARG 50 -10.432 7.285 -39.214 368 H ILE 51 H ILE 51 -13.523 12.006 -31.774 369 HA ILE 51 HA ILE 51 -13.183 9.316 -30.744 370 HB ILE 51 HB ILE 51 -14.259 11.836 -29.453 371 HG12 ILE 51 HG12 ILE 51 -11.716 10.210 -28.958 372 HG13 ILE 51 HG13 ILE 51 -11.702 11.545 -30.106 373 HG21 ILE 51 HG21 ILE 51 -15.401 10.020 -28.456 374 HG22 ILE 51 HG22 ILE 51 -13.872 9.105 -28.406 375 HG23 ILE 51 HG23 ILE 51 -14.055 10.534 -27.380 376 HD11 ILE 51 HD11 ILE 51 -10.859 12.353 -27.959 377 HD12 ILE 51 HD12 ILE 51 -12.473 13.047 -28.156 378 HD13 ILE 51 HD13 ILE 51 -12.232 11.647 -27.079 379 H ARG 52 H ARG 52 -16.066 11.063 -31.952 380 HA ARG 52 HA ARG 52 -17.876 9.216 -30.725 381 HB2 ARG 52 HB2 ARG 52 -18.238 10.866 -33.214 382 HB3 ARG 52 HB3 ARG 52 -19.511 9.997 -32.359 383 HG2 ARG 52 HG2 ARG 52 -19.471 11.422 -30.536 384 HG3 ARG 52 HG3 ARG 52 -17.845 12.019 -30.903 385 HD2 ARG 52 HD2 ARG 52 -18.734 13.046 -32.984 386 HD3 ARG 52 HD3 ARG 52 -20.384 12.577 -32.488 387 HE ARG 52 HE ARG 52 -19.366 13.986 -30.312 388 HH11 ARG 52 HH11 ARG 52 -19.846 14.793 -33.728 389 HH12 ARG 52 HH12 ARG 52 -20.170 16.463 -33.376 390 HH21 ARG 52 HH21 ARG 52 -19.804 16.078 -29.922 391 HH22 ARG 52 HH22 ARG 52 -20.122 17.207 -31.242 392 H GLU 53 H GLU 53 -15.995 8.999 -33.637 393 HA GLU 53 HA GLU 53 -17.624 6.882 -34.846 394 HB2 GLU 53 HB2 GLU 53 -14.689 7.490 -35.253 395 HB3 GLU 53 HB3 GLU 53 -15.780 6.683 -36.395 396 HG2 GLU 53 HG2 GLU 53 -15.954 9.595 -35.571 397 HG3 GLU 53 HG3 GLU 53 -15.252 9.084 -37.047 398 H GLU 54 H GLU 54 -14.675 7.239 -32.906 399 HA GLU 54 HA GLU 54 -14.033 4.386 -33.111 400 HB2 GLU 54 HB2 GLU 54 -12.800 6.796 -31.795 401 HB3 GLU 54 HB3 GLU 54 -12.127 5.192 -31.615 402 HG2 GLU 54 HG2 GLU 54 -12.727 6.129 -34.390 403 HG3 GLU 54 HG3 GLU 54 -11.332 6.823 -33.561 404 H LEU 55 H LEU 55 -15.023 6.586 -30.363 405 HA LEU 55 HA LEU 55 -15.135 4.138 -28.627 406 HB2 LEU 55 HB2 LEU 55 -15.308 7.053 -27.881 407 HB3 LEU 55 HB3 LEU 55 -15.217 5.718 -26.758 408 HG LEU 55 HG LEU 55 -13.005 6.707 -28.555 409 HD11 LEU 55 HD11 LEU 55 -11.914 7.315 -26.427 410 HD12 LEU 55 HD12 LEU 55 -13.251 6.622 -25.527 411 HD13 LEU 55 HD13 LEU 55 -13.517 8.054 -26.510 412 HD21 LEU 55 HD21 LEU 55 -12.936 4.376 -26.597 413 HD22 LEU 55 HD22 LEU 55 -11.509 5.137 -27.371 414 HD23 LEU 55 HD23 LEU 55 -12.725 4.291 -28.341 415 H GLY 56 H GLY 56 -17.015 5.878 -30.640 416 HA2 GLY 56 HA2 GLY 56 -19.281 5.757 -31.004 417 HA3 GLY 56 HA3 GLY 56 -19.385 4.558 -29.705 418 H VAL 57 H VAL 57 -18.102 7.642 -28.766 419 HA VAL 57 HA VAL 57 -20.755 8.439 -27.694 420 HB VAL 57 HB VAL 57 -19.679 8.882 -25.439 421 HG11 VAL 57 HG11 VAL 57 -21.004 6.788 -25.930 422 HG12 VAL 57 HG12 VAL 57 -19.456 5.942 -26.218 423 HG13 VAL 57 HG13 VAL 57 -19.829 6.619 -24.608 424 HG21 VAL 57 HG21 VAL 57 -17.367 7.212 -26.505 425 HG22 VAL 57 HG22 VAL 57 -17.304 8.953 -26.192 426 HG23 VAL 57 HG23 VAL 57 -17.540 7.819 -24.854 427 H ASP 58 H ASP 58 -20.862 10.622 -26.901 428 HA ASP 58 HA ASP 58 -19.092 12.368 -28.447 429 HB2 ASP 58 HB2 ASP 58 -21.580 12.700 -28.341 430 HB3 ASP 58 HB3 ASP 58 -21.394 13.124 -26.629 431 H LEU 59 H LEU 59 -17.172 12.882 -27.589 432 HA LEU 59 HA LEU 59 -16.600 12.481 -24.857 433 HB2 LEU 59 HB2 LEU 59 -15.046 12.490 -26.866 434 HB3 LEU 59 HB3 LEU 59 -14.973 14.225 -26.672 435 HG LEU 59 HG LEU 59 -13.005 13.096 -25.747 436 HD11 LEU 59 HD11 LEU 59 -12.740 14.230 -23.736 437 HD12 LEU 59 HD12 LEU 59 -14.436 14.090 -23.307 438 HD13 LEU 59 HD13 LEU 59 -13.948 15.183 -24.607 439 HD21 LEU 59 HD21 LEU 59 -14.825 11.795 -23.730 440 HD22 LEU 59 HD22 LEU 59 -13.069 11.593 -23.926 441 HD23 LEU 59 HD23 LEU 59 -14.179 10.979 -25.161 442 HA PRO 60 HA PRO 60 -18.295 16.323 -23.348 443 HB2 PRO 60 HB2 PRO 60 -16.794 15.577 -20.825 444 HB3 PRO 60 HB3 PRO 60 -18.539 15.956 -21.027 445 HG2 PRO 60 HG2 PRO 60 -17.680 13.454 -20.607 446 HG3 PRO 60 HG3 PRO 60 -19.011 13.795 -21.738 447 HD2 PRO 60 HD2 PRO 60 -16.120 13.231 -22.354 448 HD3 PRO 60 HD3 PRO 60 -17.621 12.591 -23.118 449 H ILE 61 H ILE 61 -17.288 18.167 -24.033 450 HA ILE 61 HA ILE 61 -14.518 18.458 -24.301 451 HB ILE 61 HB ILE 61 -16.363 19.762 -25.459 452 HG12 ILE 61 HG12 ILE 61 -14.083 21.432 -24.395 453 HG13 ILE 61 HG13 ILE 61 -13.863 20.166 -25.591 454 HG21 ILE 61 HG21 ILE 61 -16.143 21.610 -23.013 455 HG22 ILE 61 HG22 ILE 61 -17.128 21.863 -24.473 456 HG23 ILE 61 HG23 ILE 61 -17.548 20.550 -23.369 457 HD11 ILE 61 HD11 ILE 61 -13.962 22.255 -26.761 458 HD12 ILE 61 HD12 ILE 61 -15.478 21.384 -27.087 459 HD13 ILE 61 HD13 ILE 61 -15.459 22.742 -25.928 460 H ARG 62 H ARG 62 -16.442 19.029 -21.458 461 HA ARG 62 HA ARG 62 -14.564 20.554 -19.989 462 HB2 ARG 62 HB2 ARG 62 -16.608 18.553 -19.066 463 HB3 ARG 62 HB3 ARG 62 -15.711 19.512 -17.969 464 HG2 ARG 62 HG2 ARG 62 -16.541 21.582 -19.162 465 HG3 ARG 62 HG3 ARG 62 -17.677 20.493 -19.998 466 HD2 ARG 62 HD2 ARG 62 -18.511 19.710 -17.758 467 HD3 ARG 62 HD3 ARG 62 -17.415 20.894 -17.001 468 HE ARG 62 HE ARG 62 -19.003 22.297 -18.835 469 HH11 ARG 62 HH11 ARG 62 -19.465 20.568 -15.833 470 HH12 ARG 62 HH12 ARG 62 -20.827 21.561 -15.353 471 HH21 ARG 62 HH21 ARG 62 -20.717 23.534 -18.167 472 HH22 ARG 62 HH22 ARG 62 -21.540 23.194 -16.646 473 H GLN 63 H GLN 63 -14.870 17.038 -20.422 474 HA GLN 63 HA GLN 63 -12.837 16.365 -18.482 475 HB2 GLN 63 HB2 GLN 63 -14.171 14.922 -20.760 476 HB3 GLN 63 HB3 GLN 63 -12.792 14.191 -19.925 477 HG2 GLN 63 HG2 GLN 63 -15.350 13.739 -19.193 478 HG3 GLN 63 HG3 GLN 63 -13.991 13.652 -18.085 479 HE21 GLN 63 HE21 GLN 63 -16.882 15.462 -19.055 480 HE22 GLN 63 HE22 GLN 63 -16.914 16.455 -17.623 481 H LEU 64 H LEU 64 -12.879 17.005 -21.984 482 HA LEU 64 HA LEU 64 -10.181 16.268 -22.474 483 HB2 LEU 64 HB2 LEU 64 -12.364 17.272 -23.919 484 HB3 LEU 64 HB3 LEU 64 -11.092 18.476 -24.111 485 HG LEU 64 HG LEU 64 -10.739 15.519 -24.699 486 HD11 LEU 64 HD11 LEU 64 -10.950 16.165 -27.097 487 HD12 LEU 64 HD12 LEU 64 -11.273 17.859 -26.602 488 HD13 LEU 64 HD13 LEU 64 -12.427 16.570 -26.202 489 HD21 LEU 64 HD21 LEU 64 -8.997 17.931 -25.412 490 HD22 LEU 64 HD22 LEU 64 -8.734 16.273 -25.973 491 HD23 LEU 64 HD23 LEU 64 -8.599 16.651 -24.251 492 H PHE 65 H PHE 65 -11.618 19.473 -21.608 493 HA PHE 65 HA PHE 65 -9.013 20.757 -21.695 494 HB2 PHE 65 HB2 PHE 65 -11.649 21.663 -20.497 495 HB3 PHE 65 HB3 PHE 65 -10.182 22.649 -20.544 496 HD1 PHE 65 HD2 PHE 65 -9.422 21.486 -23.493 497 HD2 PHE 65 HD1 PHE 65 -12.876 23.363 -21.730 498 HE1 PHE 65 HE2 PHE 65 -10.081 22.381 -25.719 499 HE2 PHE 65 HE1 PHE 65 -13.521 24.278 -23.959 500 HZ PHE 65 HZ PHE 65 -12.125 23.794 -25.952 501 H SER 66 H SER 66 -10.752 19.026 -19.190 502 HA SER 66 HA SER 66 -9.301 20.275 -16.998 503 HB2 SER 66 HB2 SER 66 -10.858 17.668 -17.095 504 HB3 SER 66 HB3 SER 66 -10.269 18.437 -15.606 505 HG SER 66 HG SER 66 -12.122 19.491 -17.508 506 H SER 67 H SER 67 -8.755 17.658 -19.203 507 HA SER 67 HA SER 67 -6.067 17.261 -18.028 508 HB2 SER 67 HB2 SER 67 -7.981 14.926 -18.538 509 HB3 SER 67 HB3 SER 67 -6.298 14.831 -17.968 510 HG SER 67 HG SER 67 -7.445 16.484 -16.336 511 HA PRO 68 HA PRO 68 -6.395 17.424 -22.620 512 HB2 PRO 68 HB2 PRO 68 -4.488 19.299 -23.136 513 HB3 PRO 68 HB3 PRO 68 -6.083 19.726 -22.443 514 HG2 PRO 68 HG2 PRO 68 -3.477 19.237 -21.010 515 HG3 PRO 68 HG3 PRO 68 -4.567 20.664 -20.919 516 HD2 PRO 68 HD2 PRO 68 -4.665 18.653 -19.103 517 HD3 PRO 68 HD3 PRO 68 -6.140 19.509 -19.652 518 H THR 69 H THR 69 -4.975 15.259 -21.347 519 HA THR 69 HA THR 69 -2.737 14.893 -23.336 520 HB THR 69 HB THR 69 -1.739 13.268 -21.634 521 HG1 THR 69 HG1 THR 69 -2.371 13.829 -19.420 522 HG21 THR 69 HG21 THR 69 -0.771 15.538 -21.991 523 HG22 THR 69 HG22 THR 69 -0.629 15.015 -20.312 524 HG23 THR 69 HG23 THR 69 -1.884 16.206 -20.764 525 HA PRO 70 HA PRO 70 -5.458 11.779 -24.440 526 HB2 PRO 70 HB2 PRO 70 -4.032 9.593 -25.217 527 HB3 PRO 70 HB3 PRO 70 -4.042 11.110 -26.146 528 HG2 PRO 70 HG2 PRO 70 -2.095 10.182 -24.152 529 HG3 PRO 70 HG3 PRO 70 -1.818 10.772 -25.831 530 HD2 PRO 70 HD2 PRO 70 -1.474 12.383 -23.720 531 HD3 PRO 70 HD3 PRO 70 -2.257 12.977 -25.223 532 H ALA 71 H ALA 71 -2.993 10.512 -22.087 533 HA ALA 71 HA ALA 71 -4.799 8.469 -21.052 534 HB1 ALA 71 HB1 ALA 71 -2.388 8.290 -20.746 535 HB2 ALA 71 HB2 ALA 71 -2.337 9.822 -19.842 536 HB3 ALA 71 HB3 ALA 71 -3.169 8.387 -19.160 537 H GLY 72 H GLY 72 -4.143 11.879 -20.309 538 HA2 GLY 72 HA2 GLY 72 -5.521 11.993 -17.840 539 HA3 GLY 72 HA3 GLY 72 -5.265 13.358 -18.956 540 H VAL 73 H VAL 73 -6.685 12.517 -21.230 541 HA VAL 73 HA VAL 73 -9.354 13.191 -20.516 542 HB VAL 73 HB VAL 73 -8.181 11.763 -23.037 543 HG11 VAL 73 HG11 VAL 73 -10.296 12.488 -24.165 544 HG12 VAL 73 HG12 VAL 73 -10.543 11.241 -22.932 545 HG13 VAL 73 HG13 VAL 73 -10.981 12.935 -22.585 546 HG21 VAL 73 HG21 VAL 73 -8.443 14.045 -24.055 547 HG22 VAL 73 HG22 VAL 73 -9.064 14.660 -22.506 548 HG23 VAL 73 HG23 VAL 73 -7.401 14.094 -22.644 549 H ALA 74 H ALA 74 -7.747 9.986 -21.066 550 HA ALA 74 HA ALA 74 -10.141 8.464 -20.899 551 HB1 ALA 74 HB1 ALA 74 -8.636 6.593 -20.673 552 HB2 ALA 74 HB2 ALA 74 -7.840 7.726 -21.750 553 HB3 ALA 74 HB3 ALA 74 -7.262 7.565 -20.067 554 H ARG 75 H ARG 75 -7.867 9.447 -18.318 555 HA ARG 75 HA ARG 75 -9.341 7.959 -16.346 556 HB2 ARG 75 HB2 ARG 75 -7.470 10.327 -16.116 557 HB3 ARG 75 HB3 ARG 75 -7.900 9.266 -14.798 558 HG2 ARG 75 HG2 ARG 75 -6.374 8.470 -17.193 559 HG3 ARG 75 HG3 ARG 75 -5.659 8.730 -15.806 560 HD2 ARG 75 HD2 ARG 75 -7.599 6.476 -16.613 561 HD3 ARG 75 HD3 ARG 75 -5.955 6.301 -15.991 562 HE ARG 75 HE ARG 75 -7.255 7.417 -13.904 563 HH11 ARG 75 HH11 ARG 75 -7.987 4.547 -15.867 564 HH12 ARG 75 HH12 ARG 75 -8.851 3.791 -14.555 565 HH21 ARG 75 HH21 ARG 75 -8.405 6.285 -12.262 566 HH22 ARG 75 HH22 ARG 75 -9.063 4.717 -12.597 567 H ALA 76 H ALA 76 -9.417 11.318 -17.471 568 HA ALA 76 HA ALA 76 -11.037 12.387 -15.345 569 HB1 ALA 76 HB1 ALA 76 -9.869 13.759 -16.995 570 HB2 ALA 76 HB2 ALA 76 -10.896 13.136 -18.284 571 HB3 ALA 76 HB3 ALA 76 -11.593 14.159 -16.993 572 H LEU 77 H LEU 77 -11.972 10.887 -18.499 573 HA LEU 77 HA LEU 77 -14.810 11.177 -17.869 574 HB2 LEU 77 HB2 LEU 77 -15.213 10.044 -19.930 575 HB3 LEU 77 HB3 LEU 77 -13.926 11.214 -20.160 576 HG LEU 77 HG LEU 77 -12.368 9.085 -19.857 577 HD11 LEU 77 HD11 LEU 77 -14.951 7.825 -20.939 578 HD12 LEU 77 HD12 LEU 77 -14.197 7.454 -19.353 579 HD13 LEU 77 HD13 LEU 77 -13.314 7.043 -20.848 580 HD21 LEU 77 HD21 LEU 77 -12.535 10.520 -21.800 581 HD22 LEU 77 HD22 LEU 77 -13.985 9.612 -22.351 582 HD23 LEU 77 HD23 LEU 77 -12.383 8.805 -22.232 583 H ALA 78 H ALA 78 -12.366 8.674 -17.335 584 HA ALA 78 HA ALA 78 -14.134 6.513 -16.835 585 HB1 ALA 78 HB1 ALA 78 -11.414 7.054 -15.586 586 HB2 ALA 78 HB2 ALA 78 -12.268 5.481 -15.633 587 HB3 ALA 78 HB3 ALA 78 -11.709 6.233 -17.138 588 H ALA 79 H ALA 79 -13.384 9.316 -14.878 589 HA ALA 79 HA ALA 79 -14.175 8.344 -12.315 590 HB1 ALA 79 HB1 ALA 79 -14.578 10.688 -11.770 591 HB2 ALA 79 HB2 ALA 79 -13.086 10.521 -12.730 592 HB3 ALA 79 HB3 ALA 79 -14.574 11.131 -13.492 593 H LYS 80 H LYS 80 -16.073 9.395 -15.152 594 HA LYS 80 HA LYS 80 -18.585 9.286 -13.644 595 HB2 LYS 80 HB2 LYS 80 -18.352 10.834 -15.528 596 HB3 LYS 80 HB3 LYS 80 -18.028 9.472 -16.621 597 HG2 LYS 80 HG2 LYS 80 -20.320 10.240 -16.937 598 HG3 LYS 80 HG3 LYS 80 -20.310 8.619 -16.208 599 HD2 LYS 80 HD2 LYS 80 -20.672 9.620 -13.956 600 HD3 LYS 80 HD3 LYS 80 -20.751 11.215 -14.687 601 HE2 LYS 80 HE2 LYS 80 -22.737 10.533 -15.980 602 HE3 LYS 80 HE3 LYS 80 -22.619 8.871 -15.317 603 HZ1 LYS 80 HZ1 LYS 80 -24.200 10.275 -14.081 604 HZ2 LYS 80 HZ2 LYS 80 -23.014 11.349 -13.696 605 HZ3 LYS 80 HZ3 LYS 80 -22.951 9.800 -13.115 606 H SER 81 H SER 81 -16.700 7.204 -15.817 607 HA SER 81 HA SER 81 -18.694 5.230 -16.234 608 HB2 SER 81 HB2 SER 81 -15.694 4.838 -16.123 609 HB3 SER 81 HB3 SER 81 -16.853 3.837 -17.005 610 HG SER 81 HG SER 81 -16.068 5.247 -18.485 611 H ALA 82 H ALA 82 -16.529 5.841 -13.538 612 HA ALA 82 HA ALA 82 -16.638 3.302 -12.313 613 HB1 ALA 82 HB1 ALA 82 -15.993 4.508 -10.262 614 HB2 ALA 82 HB2 ALA 82 -15.096 5.111 -11.664 615 HB3 ALA 82 HB3 ALA 82 -16.451 6.051 -10.997 616 H SER 83 H SER 83 -19.214 5.556 -12.785 617 HA SER 83 HA SER 83 -20.716 4.916 -10.403 618 HB2 SER 83 HB2 SER 83 -21.631 6.006 -13.091 619 HB3 SER 83 HB3 SER 83 -22.618 5.967 -11.614 620 HG SER 83 HG SER 83 -20.113 7.129 -11.369 621 H TRP 84 H TRP 84 -19.962 3.089 -13.159 622 HA TRP 84 HA TRP 84 -20.802 1.221 -14.128 623 HB2 TRP 84 HB2 TRP 84 -20.220 0.545 -11.742 624 HB3 TRP 84 HB3 TRP 84 -21.941 0.528 -11.419 625 HD1 TRP 84 HD1 TRP 84 -23.426 -1.246 -12.992 626 HE1 TRP 84 HE1 TRP 84 -22.840 -3.558 -13.902 627 HE3 TRP 84 HE3 TRP 84 -18.341 -0.883 -12.630 628 HZ2 TRP 84 HZ2 TRP 84 -20.473 -5.071 -14.415 629 HZ3 TRP 84 HZ3 TRP 84 -16.936 -2.854 -13.338 630 HH2 TRP 84 HH2 TRP 84 -18.001 -4.907 -14.211 631 H SER 85 H SER 85 -22.250 2.305 -15.512 632 HA SER 85 HA SER 85 -25.097 2.409 -14.819 633 HB2 SER 85 HB2 SER 85 -23.946 3.968 -16.481 634 HB3 SER 85 HB3 SER 85 -23.818 2.580 -17.581 635 HG SER 85 HG SER 85 -25.687 3.343 -18.181 636 H HIS 86 H HIS 86 -26.584 1.337 -16.644 637 HA HIS 86 HA HIS 86 -26.358 -1.497 -16.321 638 HB2 HIS 86 HB2 HIS 86 -28.357 -1.629 -17.703 639 HB3 HIS 86 HB3 HIS 86 -28.520 -0.251 -16.615 640 HD1 HIS 86 HD1 HIS 86 -28.636 2.115 -17.682 641 HD2 HIS 86 HD2 HIS 86 -28.059 -0.952 -20.429 642 HE1 HIS 86 HE1 HIS 86 -28.964 3.118 -20.001 643 HA PRO 87 HA PRO 87 -23.776 -2.175 -19.785 644 HB2 PRO 87 HB2 PRO 87 -24.160 -4.775 -20.396 645 HB3 PRO 87 HB3 PRO 87 -23.437 -4.297 -18.831 646 HG2 PRO 87 HG2 PRO 87 -26.295 -4.989 -19.480 647 HG3 PRO 87 HG3 PRO 87 -25.244 -5.666 -18.185 648 HD2 PRO 87 HD2 PRO 87 -27.012 -3.645 -17.748 649 HD3 PRO 87 HD3 PRO 87 -25.448 -3.737 -16.874 650 H GLN 88 H GLN 88 -23.776 -2.409 -22.093 651 HA GLN 88 HA GLN 88 -26.315 -2.988 -23.469 652 HB2 GLN 88 HB2 GLN 88 -26.352 -0.503 -22.997 653 HB3 GLN 88 HB3 GLN 88 -24.793 -0.350 -23.809 654 HG2 GLN 88 HG2 GLN 88 -25.850 -1.185 -25.918 655 HG3 GLN 88 HG3 GLN 88 -27.401 -1.253 -25.070 656 HE21 GLN 88 HE21 GLN 88 -24.756 0.879 -26.113 657 HE22 GLN 88 HE22 GLN 88 -25.752 2.325 -26.239 658 H PHE 89 H PHE 89 -25.834 -3.898 -25.451 659 HA PHE 89 HA PHE 89 -22.981 -4.533 -25.867 660 HB2 PHE 89 HB2 PHE 89 -25.482 -5.550 -27.277 661 HB3 PHE 89 HB3 PHE 89 -23.849 -6.184 -27.469 662 HD1 PHE 89 HD1 PHE 89 -22.721 -7.294 -25.451 663 HD2 PHE 89 HD2 PHE 89 -26.904 -6.285 -25.541 664 HE1 PHE 89 HE1 PHE 89 -23.130 -8.847 -23.549 665 HE2 PHE 89 HE2 PHE 89 -27.344 -7.867 -23.637 666 HZ PHE 89 HZ PHE 89 -25.459 -9.148 -22.644 667 H GLU 90 H GLU 90 -21.826 -4.024 -27.662 668 HA GLU 90 HA GLU 90 -22.719 -1.843 -29.365 669 HB2 GLU 90 HB2 GLU 90 -20.552 -2.077 -30.423 670 HB3 GLU 90 HB3 GLU 90 -20.348 -2.104 -28.669 671 HG2 GLU 90 HG2 GLU 90 -20.331 -4.574 -30.461 672 HG3 GLU 90 HG3 GLU 90 -18.895 -3.734 -29.897 673 H LYS 91 H LYS 91 -22.245 -2.138 -31.838 674 HA LYS 91 HA LYS 91 -23.275 -4.711 -32.877 675 HB2 LYS 91 HB2 LYS 91 -24.573 -1.980 -33.144 676 HB3 LYS 91 HB3 LYS 91 -24.619 -3.123 -34.495 677 HG2 LYS 91 HG2 LYS 91 -26.648 -3.494 -33.440 678 HG3 LYS 91 HG3 LYS 91 -25.664 -4.801 -32.831 679 HD2 LYS 91 HD2 LYS 91 -27.021 -3.923 -31.036 680 HD3 LYS 91 HD3 LYS 91 -25.345 -3.490 -30.712 681 HE2 LYS 91 HE2 LYS 91 -26.707 -1.605 -30.175 682 HE3 LYS 91 HE3 LYS 91 -25.743 -1.203 -31.588 683 HZ1 LYS 91 HZ1 LYS 91 -27.696 -1.675 -32.975 684 HZ2 LYS 91 HZ2 LYS 91 -28.018 -0.492 -31.874 685 HZ3 LYS 91 HZ3 LYS 91 -28.593 -2.017 -31.638 Start of MODEL 10 1 H1 GLY 1 H GLY 1 8.914 -0.724 -1.624 2 HA2 GLY 1 HA2 GLY 1 10.207 -1.135 -3.546 3 HA3 GLY 1 HA3 GLY 1 8.930 -2.256 -4.019 4 H ALA 2 H ALA 2 10.196 -0.932 -6.062 5 HA ALA 2 HA ALA 2 8.909 1.560 -6.748 6 HB1 ALA 2 HB1 ALA 2 11.080 0.779 -7.762 7 HB2 ALA 2 HB2 ALA 2 10.192 -0.564 -8.545 8 HB3 ALA 2 HB3 ALA 2 9.845 1.115 -9.004 9 H MET 3 H MET 3 7.079 1.887 -8.105 10 HA MET 3 HA MET 3 5.052 -0.150 -7.876 11 HB2 MET 3 HB2 MET 3 4.613 2.310 -7.789 12 HB3 MET 3 HB3 MET 3 5.107 2.446 -9.480 13 HG2 MET 3 HG2 MET 3 2.658 2.445 -9.215 14 HG3 MET 3 HG3 MET 3 3.221 1.045 -10.150 15 HE1 MET 3 HE1 MET 3 0.287 1.328 -8.753 16 HE2 MET 3 HE2 MET 3 0.761 -0.064 -9.746 17 HE3 MET 3 HE3 MET 3 0.073 -0.328 -8.114 18 H ALA 4 H ALA 4 4.309 -1.586 -9.351 19 HA ALA 4 HA ALA 4 5.902 -2.166 -11.722 20 HB1 ALA 4 HB1 ALA 4 3.177 -3.216 -10.786 21 HB2 ALA 4 HB2 ALA 4 4.170 -3.931 -12.077 22 HB3 ALA 4 HB3 ALA 4 4.743 -3.948 -10.396 23 H LYS 5 H LYS 5 5.276 -1.871 -13.923 24 HA LYS 5 HA LYS 5 3.410 0.392 -14.322 25 HB2 LYS 5 HB2 LYS 5 5.333 -1.204 -16.079 26 HB3 LYS 5 HB3 LYS 5 4.045 -0.201 -16.796 27 HG2 LYS 5 HG2 LYS 5 5.718 1.307 -16.808 28 HG3 LYS 5 HG3 LYS 5 5.068 1.643 -15.182 29 HD2 LYS 5 HD2 LYS 5 6.819 0.230 -14.170 30 HD3 LYS 5 HD3 LYS 5 7.414 -0.202 -15.797 31 HE2 LYS 5 HE2 LYS 5 7.852 2.212 -16.229 32 HE3 LYS 5 HE3 LYS 5 7.427 2.563 -14.546 33 HZ1 LYS 5 HZ1 LYS 5 9.244 1.114 -13.877 34 HZ2 LYS 5 HZ2 LYS 5 9.800 2.324 -14.849 35 HZ3 LYS 5 HZ3 LYS 5 9.616 0.803 -15.457 36 H ALA 6 H ALA 6 1.433 0.264 -15.188 37 HA ALA 6 HA ALA 6 0.174 -2.390 -15.388 38 HB1 ALA 6 HB1 ALA 6 -1.064 -0.407 -14.406 39 HB2 ALA 6 HB2 ALA 6 -0.873 0.445 -15.987 40 HB3 ALA 6 HB3 ALA 6 -1.871 -1.039 -15.886 41 HA PRO 7 HA PRO 7 1.101 -2.505 -19.711 42 HB2 PRO 7 HB2 PRO 7 -0.942 -3.937 -20.833 43 HB3 PRO 7 HB3 PRO 7 0.256 -4.703 -19.732 44 HG2 PRO 7 HG2 PRO 7 -2.511 -3.627 -19.111 45 HG3 PRO 7 HG3 PRO 7 -1.782 -5.224 -18.688 46 HD2 PRO 7 HD2 PRO 7 -1.871 -3.160 -16.933 47 HD3 PRO 7 HD3 PRO 7 -0.500 -4.317 -16.970 48 H GLU 8 H GLU 8 0.471 -1.598 -21.802 49 HA GLU 8 HA GLU 8 -1.129 0.787 -21.607 50 HB2 GLU 8 HB2 GLU 8 0.938 0.406 -22.981 51 HB3 GLU 8 HB3 GLU 8 -0.036 -0.640 -24.044 52 HG2 GLU 8 HG2 GLU 8 -1.511 1.301 -24.550 53 HG3 GLU 8 HG3 GLU 8 -0.447 2.320 -23.557 54 H SER 9 H SER 9 -3.224 1.131 -22.234 55 HA SER 9 HA SER 9 -4.845 -1.262 -22.796 56 HB2 SER 9 HB2 SER 9 -5.651 0.478 -21.242 57 HB3 SER 9 HB3 SER 9 -5.558 1.694 -22.532 58 HG SER 9 HG SER 9 -7.680 0.871 -22.231 59 H ALA 10 H ALA 10 -6.230 -1.514 -24.598 60 HA ALA 10 HA ALA 10 -5.155 -0.823 -27.133 61 HB1 ALA 10 HB1 ALA 10 -6.678 -2.741 -26.787 62 HB2 ALA 10 HB2 ALA 10 -8.025 -1.627 -26.418 63 HB3 ALA 10 HB3 ALA 10 -7.282 -1.651 -28.052 64 H THR 11 H THR 11 -7.405 0.825 -24.984 65 HA THR 11 HA THR 11 -8.521 2.645 -26.880 66 HB THR 11 HB THR 11 -8.000 3.264 -23.917 67 HG1 THR 11 HG1 THR 11 -9.860 1.493 -25.128 68 HG21 THR 11 HG21 THR 11 -10.149 4.406 -24.036 69 HG22 THR 11 HG22 THR 11 -10.415 3.835 -25.689 70 HG23 THR 11 HG23 THR 11 -9.112 5.017 -25.348 71 H GLU 12 H GLU 12 -5.521 2.782 -24.943 72 HA GLU 12 HA GLU 12 -4.958 5.547 -25.473 73 HB2 GLU 12 HB2 GLU 12 -3.107 3.241 -24.834 74 HB3 GLU 12 HB3 GLU 12 -2.601 4.923 -24.924 75 HG2 GLU 12 HG2 GLU 12 -3.985 5.518 -23.075 76 HG3 GLU 12 HG3 GLU 12 -4.812 3.969 -23.107 77 H LYS 13 H LYS 13 -4.286 2.564 -27.273 78 HA LYS 13 HA LYS 13 -2.493 3.648 -29.219 79 HB2 LYS 13 HB2 LYS 13 -4.591 1.494 -29.545 80 HB3 LYS 13 HB3 LYS 13 -3.237 1.762 -30.625 81 HG2 LYS 13 HG2 LYS 13 -2.913 0.952 -27.710 82 HG3 LYS 13 HG3 LYS 13 -2.911 -0.191 -29.062 83 HD2 LYS 13 HD2 LYS 13 -1.031 1.115 -30.125 84 HD3 LYS 13 HD3 LYS 13 -0.944 2.100 -28.641 85 HE2 LYS 13 HE2 LYS 13 -0.701 -0.118 -27.393 86 HE3 LYS 13 HE3 LYS 13 -0.389 -0.857 -28.980 87 HZ1 LYS 13 HZ1 LYS 13 1.355 0.827 -29.225 88 HZ2 LYS 13 HZ2 LYS 13 1.637 -0.176 -27.949 89 HZ3 LYS 13 HZ3 LYS 13 1.067 1.339 -27.668 90 H VAL 14 H VAL 14 -6.029 3.411 -29.107 91 HA VAL 14 HA VAL 14 -6.486 4.331 -31.812 92 HB VAL 14 HB VAL 14 -8.260 4.372 -29.304 93 HG11 VAL 14 HG11 VAL 14 -10.156 4.658 -30.849 94 HG12 VAL 14 HG12 VAL 14 -9.011 6.050 -30.939 95 HG13 VAL 14 HG13 VAL 14 -9.025 4.812 -32.225 96 HG21 VAL 14 HG21 VAL 14 -7.594 2.080 -30.044 97 HG22 VAL 14 HG22 VAL 14 -9.315 2.373 -30.308 98 HG23 VAL 14 HG23 VAL 14 -8.173 2.422 -31.683 99 H LEU 15 H LEU 15 -6.575 5.888 -28.581 100 HA LEU 15 HA LEU 15 -7.194 8.483 -29.552 101 HB2 LEU 15 HB2 LEU 15 -5.736 7.462 -27.090 102 HB3 LEU 15 HB3 LEU 15 -6.157 9.166 -27.331 103 HG LEU 15 HG LEU 15 -8.241 6.937 -27.430 104 HD11 LEU 15 HD11 LEU 15 -6.950 6.817 -25.366 105 HD12 LEU 15 HD12 LEU 15 -8.637 7.311 -25.083 106 HD13 LEU 15 HD13 LEU 15 -7.328 8.526 -25.013 107 HD21 LEU 15 HD21 LEU 15 -9.019 9.046 -28.355 108 HD22 LEU 15 HD22 LEU 15 -8.464 9.925 -26.901 109 HD23 LEU 15 HD23 LEU 15 -9.788 8.751 -26.785 110 H CYS 16 H CYS 16 -4.003 6.895 -29.017 111 HA CYS 16 HA CYS 16 -2.406 9.194 -29.634 112 HB2 CYS 16 HB2 CYS 16 -2.021 6.202 -29.787 113 HB3 CYS 16 HB3 CYS 16 -0.819 7.230 -30.558 114 HG CYS 16 HG CYS 16 -0.463 8.753 -28.387 115 H ALA 17 H ALA 17 -3.835 6.725 -31.886 116 HA ALA 17 HA ALA 17 -2.520 7.894 -34.166 117 HB1 ALA 17 HB1 ALA 17 -3.957 6.435 -35.469 118 HB2 ALA 17 HB2 ALA 17 -3.315 5.552 -34.071 119 HB3 ALA 17 HB3 ALA 17 -5.001 6.117 -34.043 120 H LEU 18 H LEU 18 -5.718 8.363 -32.655 121 HA LEU 18 HA LEU 18 -6.814 10.006 -34.744 122 HB2 LEU 18 HB2 LEU 18 -7.322 9.983 -31.744 123 HB3 LEU 18 HB3 LEU 18 -8.239 10.945 -32.915 124 HG LEU 18 HG LEU 18 -8.156 7.906 -32.815 125 HD11 LEU 18 HD11 LEU 18 -9.438 8.887 -31.000 126 HD12 LEU 18 HD12 LEU 18 -10.517 8.125 -32.186 127 HD13 LEU 18 HD13 LEU 18 -10.336 9.902 -32.121 128 HD21 LEU 18 HD21 LEU 18 -8.422 8.322 -35.071 129 HD22 LEU 18 HD22 LEU 18 -9.273 9.829 -34.803 130 HD23 LEU 18 HD23 LEU 18 -10.095 8.321 -34.512 131 H TYR 19 H TYR 19 -4.700 10.719 -31.988 132 HA TYR 19 HA TYR 19 -4.830 13.590 -32.228 133 HB2 TYR 19 HB2 TYR 19 -2.883 11.577 -31.135 134 HB3 TYR 19 HB3 TYR 19 -2.294 13.210 -31.387 135 HD1 TYR 19 HD1 TYR 19 -5.617 11.939 -29.998 136 HD2 TYR 19 HD2 TYR 19 -2.029 14.237 -29.288 137 HE1 TYR 19 HE1 TYR 19 -6.479 12.598 -27.783 138 HE2 TYR 19 HE2 TYR 19 -2.923 14.894 -27.073 139 HH TYR 19 HH TYR 19 -6.083 13.825 -25.857 140 H ALA 20 H ALA 20 -2.693 11.141 -33.733 141 HA ALA 20 HA ALA 20 -1.018 12.990 -35.044 142 HB1 ALA 20 HB1 ALA 20 -1.729 10.197 -36.037 143 HB2 ALA 20 HB2 ALA 20 -0.268 11.141 -36.404 144 HB3 ALA 20 HB3 ALA 20 -0.563 10.546 -34.745 145 H GLU 21 H GLU 21 -4.065 11.528 -36.199 146 HA GLU 21 HA GLU 21 -3.831 12.379 -38.892 147 HB2 GLU 21 HB2 GLU 21 -6.318 12.109 -37.158 148 HB3 GLU 21 HB3 GLU 21 -6.349 12.405 -38.894 149 HG2 GLU 21 HG2 GLU 21 -5.145 10.268 -39.240 150 HG3 GLU 21 HG3 GLU 21 -5.313 9.930 -37.520 151 H ILE 22 H ILE 22 -5.290 13.974 -36.092 152 HA ILE 22 HA ILE 22 -6.245 16.175 -37.728 153 HB ILE 22 HB ILE 22 -6.308 15.694 -34.712 154 HG12 ILE 22 HG12 ILE 22 -8.372 15.305 -36.930 155 HG13 ILE 22 HG13 ILE 22 -7.493 14.035 -36.077 156 HG21 ILE 22 HG21 ILE 22 -7.783 17.760 -36.414 157 HG22 ILE 22 HG22 ILE 22 -8.045 17.485 -34.668 158 HG23 ILE 22 HG23 ILE 22 -6.508 18.112 -35.246 159 HD11 ILE 22 HD11 ILE 22 -9.533 15.874 -34.924 160 HD12 ILE 22 HD12 ILE 22 -9.601 14.120 -35.111 161 HD13 ILE 22 HD13 ILE 22 -8.462 14.836 -33.944 162 H LEU 23 H LEU 23 -3.639 15.724 -35.346 163 HA LEU 23 HA LEU 23 -2.976 18.603 -35.368 164 HB2 LEU 23 HB2 LEU 23 -1.564 16.164 -34.219 165 HB3 LEU 23 HB3 LEU 23 -0.999 17.832 -34.008 166 HG LEU 23 HG LEU 23 -3.822 17.029 -33.198 167 HD11 LEU 23 HD11 LEU 23 -2.245 15.418 -32.205 168 HD12 LEU 23 HD12 LEU 23 -3.118 16.419 -31.005 169 HD13 LEU 23 HD13 LEU 23 -1.417 16.788 -31.428 170 HD21 LEU 23 HD21 LEU 23 -3.618 18.863 -31.642 171 HD22 LEU 23 HD22 LEU 23 -3.107 19.447 -33.257 172 HD23 LEU 23 HD23 LEU 23 -1.874 19.046 -32.008 173 H GLY 24 H GLY 24 -2.171 15.795 -37.252 174 HA2 GLY 24 HA2 GLY 24 -0.902 15.629 -39.133 175 HA3 GLY 24 HA3 GLY 24 -0.698 17.397 -39.094 176 H VAL 25 H VAL 25 0.290 15.323 -36.425 177 HA VAL 25 HA VAL 25 3.062 16.287 -36.852 178 HB VAL 25 HB VAL 25 3.426 15.520 -34.482 179 HG11 VAL 25 HG11 VAL 25 2.854 17.858 -35.022 180 HG12 VAL 25 HG12 VAL 25 1.126 17.462 -34.874 181 HG13 VAL 25 HG13 VAL 25 2.167 17.361 -33.449 182 HG21 VAL 25 HG21 VAL 25 1.475 15.016 -33.059 183 HG22 VAL 25 HG22 VAL 25 0.425 15.041 -34.515 184 HG23 VAL 25 HG23 VAL 25 1.665 13.800 -34.327 185 H GLU 26 H GLU 26 4.847 14.897 -36.537 186 HA GLU 26 HA GLU 26 4.713 12.609 -38.216 187 HB2 GLU 26 HB2 GLU 26 6.704 14.039 -37.800 188 HB3 GLU 26 HB3 GLU 26 6.810 13.426 -36.152 189 HG2 GLU 26 HG2 GLU 26 7.164 11.108 -37.088 190 HG3 GLU 26 HG3 GLU 26 7.203 11.814 -38.714 191 H ARG 27 H ARG 27 4.643 12.908 -34.660 192 HA ARG 27 HA ARG 27 3.805 10.112 -34.415 193 HB2 ARG 27 HB2 ARG 27 5.551 9.585 -32.801 194 HB3 ARG 27 HB3 ARG 27 6.230 9.895 -34.414 195 HG2 ARG 27 HG2 ARG 27 6.862 12.185 -33.716 196 HG3 ARG 27 HG3 ARG 27 6.167 11.886 -32.107 197 HD2 ARG 27 HD2 ARG 27 8.426 10.326 -33.323 198 HD3 ARG 27 HD3 ARG 27 8.595 11.633 -32.139 199 HE ARG 27 HE ARG 27 7.764 8.869 -31.627 200 HH11 ARG 27 HH11 ARG 27 7.584 12.153 -30.333 201 HH12 ARG 27 HH12 ARG 27 7.249 11.598 -28.709 202 HH21 ARG 27 HH21 ARG 27 7.332 8.254 -29.534 203 HH22 ARG 27 HH22 ARG 27 7.097 9.447 -28.275 204 H VAL 28 H VAL 28 3.092 9.640 -32.230 205 HA VAL 28 HA VAL 28 2.582 12.074 -30.574 206 HB VAL 28 HB VAL 28 0.640 9.762 -31.110 207 HG11 VAL 28 HG11 VAL 28 0.260 12.331 -29.548 208 HG12 VAL 28 HG12 VAL 28 -1.019 11.155 -29.930 209 HG13 VAL 28 HG13 VAL 28 0.333 10.696 -28.881 210 HG21 VAL 28 HG21 VAL 28 0.806 11.142 -33.093 211 HG22 VAL 28 HG22 VAL 28 -0.771 11.359 -32.330 212 HG23 VAL 28 HG23 VAL 28 0.494 12.606 -32.125 213 H GLY 29 H GLY 29 3.325 11.771 -28.509 214 HA2 GLY 29 HA2 GLY 29 4.035 9.035 -27.622 215 HA3 GLY 29 HA3 GLY 29 4.346 10.547 -26.743 216 H VAL 30 H VAL 30 3.148 8.242 -25.458 217 HA VAL 30 HA VAL 30 0.278 8.536 -25.425 218 HB VAL 30 HB VAL 30 0.554 7.347 -23.117 219 HG11 VAL 30 HG11 VAL 30 0.859 5.155 -24.257 220 HG12 VAL 30 HG12 VAL 30 -0.287 6.246 -25.090 221 HG13 VAL 30 HG13 VAL 30 1.352 6.030 -25.726 222 HG21 VAL 30 HG21 VAL 30 3.341 6.800 -24.235 223 HG22 VAL 30 HG22 VAL 30 3.005 7.923 -22.898 224 HG23 VAL 30 HG23 VAL 30 2.647 6.181 -22.722 225 H ASP 31 H ASP 31 2.892 10.157 -23.836 226 HA ASP 31 HA ASP 31 1.052 11.551 -21.998 227 HB2 ASP 31 HB2 ASP 31 4.070 11.401 -22.121 228 HB3 ASP 31 HB3 ASP 31 3.181 12.354 -20.931 229 H ASP 32 H ASP 32 1.607 12.035 -25.060 230 HA ASP 32 HA ASP 32 2.983 14.622 -25.048 231 HB2 ASP 32 HB2 ASP 32 2.307 12.645 -26.994 232 HB3 ASP 32 HB3 ASP 32 1.529 14.132 -27.476 233 H ALA 33 H ALA 33 1.992 16.602 -24.794 234 HA ALA 33 HA ALA 33 -0.868 16.517 -24.266 235 HB1 ALA 33 HB1 ALA 33 1.038 18.887 -24.332 236 HB2 ALA 33 HB2 ALA 33 -0.592 18.881 -23.657 237 HB3 ALA 33 HB3 ALA 33 0.668 17.884 -22.917 238 H PHE 34 H PHE 34 -2.488 17.188 -25.479 239 HA PHE 34 HA PHE 34 -2.336 17.368 -28.287 240 HB2 PHE 34 HB2 PHE 34 -4.348 16.891 -26.968 241 HB3 PHE 34 HB3 PHE 34 -4.406 18.572 -26.440 242 HD1 PHE 34 HD1 PHE 34 -4.784 16.325 -29.374 243 HD2 PHE 34 HD2 PHE 34 -5.285 20.325 -27.887 244 HE1 PHE 34 HE1 PHE 34 -6.147 16.897 -31.396 245 HE2 PHE 34 HE2 PHE 34 -6.689 20.909 -29.905 246 HZ PHE 34 HZ PHE 34 -7.126 19.158 -31.657 247 H HIS 35 H HIS 35 -2.080 20.028 -25.886 248 HA HIS 35 HA HIS 35 -2.134 22.031 -28.018 249 HB2 HIS 35 HB2 HIS 35 -1.777 23.666 -26.201 250 HB3 HIS 35 HB3 HIS 35 -3.187 22.618 -25.952 251 HD1 HIS 35 HD1 HIS 35 -3.338 21.381 -23.759 252 HD2 HIS 35 HD2 HIS 35 0.500 22.796 -24.550 253 HE1 HIS 35 HE1 HIS 35 -1.971 21.017 -21.649 254 H ASP 36 H ASP 36 0.315 20.127 -26.486 255 HA ASP 36 HA ASP 36 2.489 22.056 -26.909 256 HB2 ASP 36 HB2 ASP 36 2.379 20.184 -25.157 257 HB3 ASP 36 HB3 ASP 36 2.697 19.064 -26.493 258 H LEU 37 H LEU 37 0.953 19.293 -28.395 259 HA LEU 37 HA LEU 37 2.615 19.233 -30.758 260 HB2 LEU 37 HB2 LEU 37 -0.116 18.063 -30.105 261 HB3 LEU 37 HB3 LEU 37 0.798 17.694 -31.555 262 HG LEU 37 HG LEU 37 1.695 17.016 -28.752 263 HD11 LEU 37 HD11 LEU 37 0.364 15.314 -30.888 264 HD12 LEU 37 HD12 LEU 37 -0.325 15.838 -29.338 265 HD13 LEU 37 HD13 LEU 37 1.051 14.716 -29.355 266 HD21 LEU 37 HD21 LEU 37 3.581 17.171 -30.255 267 HD22 LEU 37 HD22 LEU 37 2.742 16.163 -31.478 268 HD23 LEU 37 HD23 LEU 37 3.235 15.467 -29.898 269 H GLY 38 H GLY 38 0.907 21.762 -29.857 270 HA2 GLY 38 HA2 GLY 38 0.417 23.569 -31.211 271 HA3 GLY 38 HA3 GLY 38 0.389 22.514 -32.623 272 H GLY 39 H GLY 39 -1.753 21.278 -30.253 273 HA2 GLY 39 HA2 GLY 39 -3.976 22.052 -31.973 274 HA3 GLY 39 HA3 GLY 39 -3.981 20.936 -30.616 275 H SER 40 H SER 40 -4.933 23.979 -31.750 276 HA SER 40 HA SER 40 -5.439 25.212 -29.160 277 HB2 SER 40 HB2 SER 40 -6.564 25.849 -31.903 278 HB3 SER 40 HB3 SER 40 -6.700 26.850 -30.448 279 HG SER 40 HG SER 40 -4.927 27.423 -31.858 280 H SER 41 H SER 41 -7.663 25.751 -28.377 281 HA SER 41 HA SER 41 -9.254 23.469 -27.939 282 HB2 SER 41 HB2 SER 41 -10.321 26.315 -27.886 283 HB3 SER 41 HB3 SER 41 -10.738 24.958 -26.810 284 HG SER 41 HG SER 41 -8.761 25.155 -25.822 285 H ALA 42 H ALA 42 -9.477 25.737 -30.639 286 HA ALA 42 HA ALA 42 -12.156 24.971 -31.416 287 HB1 ALA 42 HB1 ALA 42 -11.595 26.030 -33.568 288 HB2 ALA 42 HB2 ALA 42 -11.106 27.059 -32.182 289 HB3 ALA 42 HB3 ALA 42 -9.889 26.123 -33.089 290 H LEU 43 H LEU 43 -8.927 23.682 -32.007 291 HA LEU 43 HA LEU 43 -9.730 21.876 -34.117 292 HB2 LEU 43 HB2 LEU 43 -7.442 22.872 -33.593 293 HB3 LEU 43 HB3 LEU 43 -7.348 21.693 -32.275 294 HG LEU 43 HG LEU 43 -7.488 19.870 -33.961 295 HD11 LEU 43 HD11 LEU 43 -8.632 20.905 -35.793 296 HD12 LEU 43 HD12 LEU 43 -6.966 20.555 -36.349 297 HD13 LEU 43 HD13 LEU 43 -7.412 22.218 -35.873 298 HD21 LEU 43 HD21 LEU 43 -5.216 20.191 -34.877 299 HD22 LEU 43 HD22 LEU 43 -5.335 20.538 -33.125 300 HD23 LEU 43 HD23 LEU 43 -5.245 21.883 -34.289 301 H ALA 44 H ALA 44 -9.565 21.809 -30.618 302 HA ALA 44 HA ALA 44 -9.635 19.051 -30.134 303 HB1 ALA 44 HB1 ALA 44 -10.653 19.634 -28.024 304 HB2 ALA 44 HB2 ALA 44 -9.359 20.782 -28.431 305 HB3 ALA 44 HB3 ALA 44 -11.083 21.229 -28.618 306 H MET 45 H MET 45 -12.269 21.144 -31.216 307 HA MET 45 HA MET 45 -14.435 19.394 -30.654 308 HB2 MET 45 HB2 MET 45 -14.093 21.338 -32.998 309 HB3 MET 45 HB3 MET 45 -15.606 20.632 -32.424 310 HG2 MET 45 HG2 MET 45 -13.826 22.493 -30.791 311 HG3 MET 45 HG3 MET 45 -15.347 22.928 -31.593 312 HE1 MET 45 HE1 MET 45 -15.179 23.703 -28.644 313 HE2 MET 45 HE2 MET 45 -16.726 23.783 -29.538 314 HE3 MET 45 HE3 MET 45 -16.656 23.002 -27.938 315 H ARG 46 H ARG 46 -12.002 19.382 -33.182 316 HA ARG 46 HA ARG 46 -13.489 17.630 -35.001 317 HB2 ARG 46 HB2 ARG 46 -10.500 18.157 -34.898 318 HB3 ARG 46 HB3 ARG 46 -11.433 17.559 -36.286 319 HG2 ARG 46 HG2 ARG 46 -11.545 20.374 -35.055 320 HG3 ARG 46 HG3 ARG 46 -10.857 19.913 -36.624 321 HD2 ARG 46 HD2 ARG 46 -13.160 19.119 -37.306 322 HD3 ARG 46 HD3 ARG 46 -13.728 19.712 -35.755 323 HE ARG 46 HE ARG 46 -13.548 21.923 -36.519 324 HH11 ARG 46 HH11 ARG 46 -11.996 19.796 -38.818 325 HH12 ARG 46 HH12 ARG 46 -11.946 20.985 -40.092 326 HH21 ARG 46 HH21 ARG 46 -13.509 23.483 -38.195 327 HH22 ARG 46 HH22 ARG 46 -12.802 23.073 -39.732 328 H LEU 47 H LEU 47 -11.132 17.355 -32.385 329 HA LEU 47 HA LEU 47 -10.495 14.580 -32.803 330 HB2 LEU 47 HB2 LEU 47 -9.080 16.162 -31.494 331 HB3 LEU 47 HB3 LEU 47 -10.406 16.327 -30.362 332 HG LEU 47 HG LEU 47 -10.143 13.976 -29.628 333 HD11 LEU 47 HD11 LEU 47 -8.159 12.722 -30.392 334 HD12 LEU 47 HD12 LEU 47 -7.831 13.994 -31.591 335 HD13 LEU 47 HD13 LEU 47 -9.312 13.019 -31.708 336 HD21 LEU 47 HD21 LEU 47 -8.079 14.279 -28.493 337 HD22 LEU 47 HD22 LEU 47 -8.939 15.833 -28.571 338 HD23 LEU 47 HD23 LEU 47 -7.559 15.513 -29.667 339 H ILE 48 H ILE 48 -12.859 16.329 -30.747 340 HA ILE 48 HA ILE 48 -13.917 13.984 -29.508 341 HB ILE 48 HB ILE 48 -15.181 16.695 -30.153 342 HG12 ILE 48 HG12 ILE 48 -14.296 15.651 -27.443 343 HG13 ILE 48 HG13 ILE 48 -13.130 16.409 -28.532 344 HG21 ILE 48 HG21 ILE 48 -16.963 15.042 -29.836 345 HG22 ILE 48 HG22 ILE 48 -16.212 14.473 -28.328 346 HG23 ILE 48 HG23 ILE 48 -16.894 16.106 -28.432 347 HD11 ILE 48 HD11 ILE 48 -13.889 18.091 -27.005 348 HD12 ILE 48 HD12 ILE 48 -14.576 18.469 -28.606 349 HD13 ILE 48 HD13 ILE 48 -15.614 17.722 -27.350 350 H ALA 49 H ALA 49 -14.704 15.601 -32.588 351 HA ALA 49 HA ALA 49 -16.867 13.879 -33.259 352 HB1 ALA 49 HB1 ALA 49 -16.391 16.042 -34.423 353 HB2 ALA 49 HB2 ALA 49 -14.913 15.322 -35.118 354 HB3 ALA 49 HB3 ALA 49 -16.503 14.685 -35.566 355 H ARG 50 H ARG 50 -13.331 13.643 -33.889 356 HA ARG 50 HA ARG 50 -13.383 11.275 -35.544 357 HB2 ARG 50 HB2 ARG 50 -11.444 12.968 -34.372 358 HB3 ARG 50 HB3 ARG 50 -11.182 11.278 -33.762 359 HG2 ARG 50 HG2 ARG 50 -9.861 11.643 -35.683 360 HG3 ARG 50 HG3 ARG 50 -11.213 10.606 -36.184 361 HD2 ARG 50 HD2 ARG 50 -12.242 12.384 -37.368 362 HD3 ARG 50 HD3 ARG 50 -11.206 13.608 -36.575 363 HE ARG 50 HE ARG 50 -9.594 11.654 -37.896 364 HH11 ARG 50 HH11 ARG 50 -11.618 14.463 -38.728 365 HH12 ARG 50 HH12 ARG 50 -10.705 14.773 -40.179 366 HH21 ARG 50 HH21 ARG 50 -8.527 12.106 -39.664 367 HH22 ARG 50 HH22 ARG 50 -8.954 13.451 -40.709 368 H ILE 51 H ILE 51 -13.360 11.773 -31.974 369 HA ILE 51 HA ILE 51 -12.863 9.015 -31.166 370 HB ILE 51 HB ILE 51 -14.262 11.285 -29.690 371 HG12 ILE 51 HG12 ILE 51 -11.541 9.960 -29.210 372 HG13 ILE 51 HG13 ILE 51 -11.667 11.357 -30.258 373 HG21 ILE 51 HG21 ILE 51 -15.173 9.281 -28.877 374 HG22 ILE 51 HG22 ILE 51 -13.571 8.510 -28.915 375 HG23 ILE 51 HG23 ILE 51 -13.887 9.794 -27.742 376 HD11 ILE 51 HD11 ILE 51 -12.378 11.258 -27.252 377 HD12 ILE 51 HD12 ILE 51 -10.986 12.054 -27.975 378 HD13 ILE 51 HD13 ILE 51 -12.613 12.672 -28.298 379 H ARG 52 H ARG 52 -15.837 10.658 -32.316 380 HA ARG 52 HA ARG 52 -17.524 8.562 -31.368 381 HB2 ARG 52 HB2 ARG 52 -17.924 10.414 -33.729 382 HB3 ARG 52 HB3 ARG 52 -19.134 9.378 -33.014 383 HG2 ARG 52 HG2 ARG 52 -19.103 10.580 -30.948 384 HG3 ARG 52 HG3 ARG 52 -17.761 11.590 -31.513 385 HD2 ARG 52 HD2 ARG 52 -19.109 12.843 -32.870 386 HD3 ARG 52 HD3 ARG 52 -20.088 11.465 -33.325 387 HE ARG 52 HE ARG 52 -20.504 13.312 -31.052 388 HH11 ARG 52 HH11 ARG 52 -21.554 10.295 -32.577 389 HH12 ARG 52 HH12 ARG 52 -23.081 10.305 -31.720 390 HH21 ARG 52 HH21 ARG 52 -22.463 13.229 -29.993 391 HH22 ARG 52 HH22 ARG 52 -23.586 11.942 -30.303 392 H GLU 53 H GLU 53 -15.563 8.790 -34.237 393 HA GLU 53 HA GLU 53 -17.036 6.784 -35.727 394 HB2 GLU 53 HB2 GLU 53 -14.113 7.583 -35.944 395 HB3 GLU 53 HB3 GLU 53 -15.109 6.822 -37.197 396 HG2 GLU 53 HG2 GLU 53 -15.544 9.604 -36.098 397 HG3 GLU 53 HG3 GLU 53 -14.709 9.286 -37.577 398 H GLU 54 H GLU 54 -14.148 7.003 -33.672 399 HA GLU 54 HA GLU 54 -13.448 4.206 -34.080 400 HB2 GLU 54 HB2 GLU 54 -12.407 6.485 -32.433 401 HB3 GLU 54 HB3 GLU 54 -11.780 4.893 -32.208 402 HG2 GLU 54 HG2 GLU 54 -11.821 6.336 -34.840 403 HG3 GLU 54 HG3 GLU 54 -10.417 6.217 -33.768 404 H LEU 55 H LEU 55 -14.523 6.085 -31.167 405 HA LEU 55 HA LEU 55 -14.682 3.487 -29.719 406 HB2 LEU 55 HB2 LEU 55 -14.890 6.305 -28.646 407 HB3 LEU 55 HB3 LEU 55 -14.703 4.852 -27.711 408 HG LEU 55 HG LEU 55 -12.599 6.168 -29.440 409 HD11 LEU 55 HD11 LEU 55 -13.131 7.168 -27.239 410 HD12 LEU 55 HD12 LEU 55 -11.496 6.498 -27.257 411 HD13 LEU 55 HD13 LEU 55 -12.784 5.627 -26.456 412 HD21 LEU 55 HD21 LEU 55 -12.288 3.618 -27.855 413 HD22 LEU 55 HD22 LEU 55 -10.976 4.570 -28.607 414 HD23 LEU 55 HD23 LEU 55 -12.209 3.782 -29.609 415 H GLY 56 H GLY 56 -16.645 5.423 -31.480 416 HA2 GLY 56 HA2 GLY 56 -18.926 5.287 -31.762 417 HA3 GLY 56 HA3 GLY 56 -18.964 3.970 -30.585 418 H VAL 57 H VAL 57 -17.681 7.010 -29.459 419 HA VAL 57 HA VAL 57 -20.284 7.660 -28.161 420 HB VAL 57 HB VAL 57 -19.062 7.897 -25.947 421 HG11 VAL 57 HG11 VAL 57 -19.015 5.527 -25.350 422 HG12 VAL 57 HG12 VAL 57 -20.429 5.893 -26.384 423 HG13 VAL 57 HG13 VAL 57 -18.994 5.075 -27.068 424 HG21 VAL 57 HG21 VAL 57 -16.826 6.366 -27.311 425 HG22 VAL 57 HG22 VAL 57 -16.757 8.064 -26.833 426 HG23 VAL 57 HG23 VAL 57 -16.887 6.808 -25.595 427 H ASP 58 H ASP 58 -20.238 9.840 -27.104 428 HA ASP 58 HA ASP 58 -18.358 11.559 -28.591 429 HB2 ASP 58 HB2 ASP 58 -19.896 13.363 -28.072 430 HB3 ASP 58 HB3 ASP 58 -20.717 12.035 -28.905 431 H LEU 59 H LEU 59 -16.505 11.881 -27.558 432 HA LEU 59 HA LEU 59 -16.279 11.557 -24.751 433 HB2 LEU 59 HB2 LEU 59 -14.415 11.329 -26.308 434 HB3 LEU 59 HB3 LEU 59 -14.445 13.071 -26.585 435 HG LEU 59 HG LEU 59 -14.242 12.879 -23.849 436 HD11 LEU 59 HD11 LEU 59 -12.499 10.712 -24.977 437 HD12 LEU 59 HD12 LEU 59 -13.944 10.471 -23.985 438 HD13 LEU 59 HD13 LEU 59 -12.542 11.293 -23.287 439 HD21 LEU 59 HD21 LEU 59 -12.977 14.366 -25.392 440 HD22 LEU 59 HD22 LEU 59 -11.856 13.024 -25.658 441 HD23 LEU 59 HD23 LEU 59 -12.043 13.722 -24.051 442 HA PRO 60 HA PRO 60 -17.849 15.568 -23.543 443 HB2 PRO 60 HB2 PRO 60 -16.370 14.877 -20.985 444 HB3 PRO 60 HB3 PRO 60 -18.056 15.423 -21.179 445 HG2 PRO 60 HG2 PRO 60 -17.532 12.866 -20.621 446 HG3 PRO 60 HG3 PRO 60 -18.767 13.269 -21.843 447 HD2 PRO 60 HD2 PRO 60 -15.895 12.446 -22.268 448 HD3 PRO 60 HD3 PRO 60 -17.401 11.826 -23.042 449 H ILE 61 H ILE 61 -16.846 17.594 -23.780 450 HA ILE 61 HA ILE 61 -14.041 17.654 -24.296 451 HB ILE 61 HB ILE 61 -15.757 19.261 -25.204 452 HG12 ILE 61 HG12 ILE 61 -13.366 20.610 -23.953 453 HG13 ILE 61 HG13 ILE 61 -13.237 19.489 -25.274 454 HG21 ILE 61 HG21 ILE 61 -15.364 20.715 -22.527 455 HG22 ILE 61 HG22 ILE 61 -16.332 21.257 -23.916 456 HG23 ILE 61 HG23 ILE 61 -16.860 19.842 -22.998 457 HD11 ILE 61 HD11 ILE 61 -14.700 22.123 -25.379 458 HD12 ILE 61 HD12 ILE 61 -13.146 21.737 -26.155 459 HD13 ILE 61 HD13 ILE 61 -14.617 20.928 -26.712 460 H ARG 62 H ARG 62 -15.853 17.771 -21.374 461 HA ARG 62 HA ARG 62 -13.949 19.030 -19.679 462 HB2 ARG 62 HB2 ARG 62 -15.852 16.829 -18.969 463 HB3 ARG 62 HB3 ARG 62 -15.148 17.929 -17.850 464 HG2 ARG 62 HG2 ARG 62 -16.364 19.595 -19.648 465 HG3 ARG 62 HG3 ARG 62 -17.503 18.261 -19.397 466 HD2 ARG 62 HD2 ARG 62 -18.096 19.860 -17.746 467 HD3 ARG 62 HD3 ARG 62 -17.105 18.687 -16.854 468 HE ARG 62 HE ARG 62 -15.368 20.690 -17.818 469 HH11 ARG 62 HH11 ARG 62 -17.983 20.397 -15.485 470 HH12 ARG 62 HH12 ARG 62 -17.378 21.701 -14.483 471 HH21 ARG 62 HH21 ARG 62 -14.637 22.354 -16.491 472 HH22 ARG 62 HH22 ARG 62 -15.469 22.751 -15.000 473 H GLN 63 H GLN 63 -14.334 15.664 -20.847 474 HA GLN 63 HA GLN 63 -12.421 14.423 -19.080 475 HB2 GLN 63 HB2 GLN 63 -14.091 13.687 -21.297 476 HB3 GLN 63 HB3 GLN 63 -12.468 13.114 -21.635 477 HG2 GLN 63 HG2 GLN 63 -13.156 11.345 -20.475 478 HG3 GLN 63 HG3 GLN 63 -12.658 12.314 -19.101 479 HE21 GLN 63 HE21 GLN 63 -14.604 13.943 -18.456 480 HE22 GLN 63 HE22 GLN 63 -16.127 13.118 -18.263 481 H LEU 64 H LEU 64 -12.259 15.892 -22.328 482 HA LEU 64 HA LEU 64 -9.504 15.333 -22.806 483 HB2 LEU 64 HB2 LEU 64 -11.209 16.112 -24.469 484 HB3 LEU 64 HB3 LEU 64 -11.137 17.715 -23.756 485 HG LEU 64 HG LEU 64 -8.679 17.783 -24.337 486 HD11 LEU 64 HD11 LEU 64 -8.126 15.433 -24.578 487 HD12 LEU 64 HD12 LEU 64 -7.913 16.240 -26.204 488 HD13 LEU 64 HD13 LEU 64 -9.388 15.226 -25.848 489 HD21 LEU 64 HD21 LEU 64 -9.096 18.268 -26.705 490 HD22 LEU 64 HD22 LEU 64 -10.426 18.889 -25.654 491 HD23 LEU 64 HD23 LEU 64 -10.635 17.362 -26.584 492 H PHE 65 H PHE 65 -11.104 18.241 -21.405 493 HA PHE 65 HA PHE 65 -8.595 19.634 -21.143 494 HB2 PHE 65 HB2 PHE 65 -11.341 20.131 -19.954 495 HB3 PHE 65 HB3 PHE 65 -9.959 21.178 -19.677 496 HD1 PHE 65 HD2 PHE 65 -9.476 20.075 -23.027 497 HD2 PHE 65 HD1 PHE 65 -12.036 22.639 -20.651 498 HE1 PHE 65 HE2 PHE 65 -10.049 21.373 -25.036 499 HE2 PHE 65 HE1 PHE 65 -12.595 23.943 -22.692 500 HZ PHE 65 HZ PHE 65 -11.603 23.341 -24.862 501 H SER 66 H SER 66 -10.173 17.279 -19.138 502 HA SER 66 HA SER 66 -8.925 18.125 -16.649 503 HB2 SER 66 HB2 SER 66 -10.026 15.423 -17.481 504 HB3 SER 66 HB3 SER 66 -9.530 15.846 -15.820 505 HG SER 66 HG SER 66 -11.630 16.956 -17.406 506 H SER 67 H SER 67 -8.008 16.217 -19.397 507 HA SER 67 HA SER 67 -5.248 16.027 -18.449 508 HB2 SER 67 HB2 SER 67 -5.267 13.524 -18.800 509 HB3 SER 67 HB3 SER 67 -6.115 14.087 -17.361 510 HG SER 67 HG SER 67 -7.418 13.639 -19.849 511 HA PRO 68 HA PRO 68 -5.911 16.537 -22.939 512 HB2 PRO 68 HB2 PRO 68 -4.094 18.464 -23.469 513 HB3 PRO 68 HB3 PRO 68 -5.596 18.809 -22.553 514 HG2 PRO 68 HG2 PRO 68 -2.852 18.183 -21.498 515 HG3 PRO 68 HG3 PRO 68 -3.916 19.588 -21.133 516 HD2 PRO 68 HD2 PRO 68 -3.815 17.390 -19.535 517 HD3 PRO 68 HD3 PRO 68 -5.330 18.312 -19.801 518 H THR 69 H THR 69 -4.275 14.323 -21.909 519 HA THR 69 HA THR 69 -2.239 14.183 -24.107 520 HB THR 69 HB THR 69 -0.977 12.567 -22.636 521 HG1 THR 69 HG1 THR 69 -1.505 12.625 -20.403 522 HG21 THR 69 HG21 THR 69 -1.369 15.327 -21.459 523 HG22 THR 69 HG22 THR 69 -0.233 14.886 -22.743 524 HG23 THR 69 HG23 THR 69 0.019 14.246 -21.134 525 HA PRO 70 HA PRO 70 -4.842 10.941 -25.355 526 HB2 PRO 70 HB2 PRO 70 -2.991 8.956 -26.127 527 HB3 PRO 70 HB3 PRO 70 -3.618 10.297 -27.126 528 HG2 PRO 70 HG2 PRO 70 -1.135 10.011 -25.662 529 HG3 PRO 70 HG3 PRO 70 -1.439 10.771 -27.218 530 HD2 PRO 70 HD2 PRO 70 -0.975 12.178 -24.992 531 HD3 PRO 70 HD3 PRO 70 -2.099 12.718 -26.284 532 H ALA 71 H ALA 71 -2.091 9.672 -23.330 533 HA ALA 71 HA ALA 71 -3.666 7.420 -22.374 534 HB1 ALA 71 HB1 ALA 71 -1.911 7.401 -20.497 535 HB2 ALA 71 HB2 ALA 71 -1.285 7.263 -22.152 536 HB3 ALA 71 HB3 ALA 71 -1.185 8.817 -21.283 537 H GLY 72 H GLY 72 -3.228 10.766 -21.294 538 HA2 GLY 72 HA2 GLY 72 -4.501 10.504 -18.769 539 HA3 GLY 72 HA3 GLY 72 -4.393 11.990 -19.737 540 H VAL 73 H VAL 73 -5.809 11.393 -21.992 541 HA VAL 73 HA VAL 73 -8.496 11.727 -21.160 542 HB VAL 73 HB VAL 73 -7.354 10.804 -23.862 543 HG11 VAL 73 HG11 VAL 73 -9.552 11.529 -24.805 544 HG12 VAL 73 HG12 VAL 73 -9.667 10.097 -23.763 545 HG13 VAL 73 HG13 VAL 73 -10.197 11.696 -23.155 546 HG21 VAL 73 HG21 VAL 73 -8.390 13.512 -22.931 547 HG22 VAL 73 HG22 VAL 73 -6.669 13.090 -23.202 548 HG23 VAL 73 HG23 VAL 73 -7.799 13.123 -24.549 549 H ALA 74 H ALA 74 -6.713 8.771 -22.260 550 HA ALA 74 HA ALA 74 -8.930 7.040 -22.215 551 HB1 ALA 74 HB1 ALA 74 -6.076 6.359 -21.393 552 HB2 ALA 74 HB2 ALA 74 -7.295 5.241 -21.995 553 HB3 ALA 74 HB3 ALA 74 -6.638 6.475 -23.084 554 H ARG 75 H ARG 75 -6.733 7.984 -19.515 555 HA ARG 75 HA ARG 75 -8.036 6.211 -17.658 556 HB2 ARG 75 HB2 ARG 75 -6.399 8.712 -17.128 557 HB3 ARG 75 HB3 ARG 75 -6.883 7.527 -15.930 558 HG2 ARG 75 HG2 ARG 75 -5.653 5.780 -17.370 559 HG3 ARG 75 HG3 ARG 75 -4.933 7.181 -18.179 560 HD2 ARG 75 HD2 ARG 75 -3.391 6.596 -16.502 561 HD3 ARG 75 HD3 ARG 75 -4.261 8.005 -15.876 562 HE ARG 75 HE ARG 75 -5.270 6.655 -14.248 563 HH11 ARG 75 HH11 ARG 75 -3.548 4.576 -16.519 564 HH12 ARG 75 HH12 ARG 75 -3.786 3.159 -15.540 565 HH21 ARG 75 HH21 ARG 75 -5.541 4.807 -13.059 566 HH22 ARG 75 HH22 ARG 75 -4.869 3.282 -13.585 567 H ALA 76 H ALA 76 -8.537 9.623 -18.560 568 HA ALA 76 HA ALA 76 -10.283 10.213 -16.353 569 HB1 ALA 76 HB1 ALA 76 -10.188 11.534 -19.094 570 HB2 ALA 76 HB2 ALA 76 -10.822 12.224 -17.579 571 HB3 ALA 76 HB3 ALA 76 -9.103 11.896 -17.745 572 H LEU 77 H LEU 77 -10.944 9.022 -19.656 573 HA LEU 77 HA LEU 77 -13.830 9.133 -19.204 574 HB2 LEU 77 HB2 LEU 77 -14.047 8.183 -21.368 575 HB3 LEU 77 HB3 LEU 77 -12.788 9.402 -21.430 576 HG LEU 77 HG LEU 77 -11.225 7.257 -21.188 577 HD11 LEU 77 HD11 LEU 77 -13.063 5.584 -20.945 578 HD12 LEU 77 HD12 LEU 77 -12.114 5.323 -22.430 579 HD13 LEU 77 HD13 LEU 77 -13.724 6.085 -22.545 580 HD21 LEU 77 HD21 LEU 77 -11.006 7.204 -23.569 581 HD22 LEU 77 HD22 LEU 77 -11.299 8.869 -23.037 582 HD23 LEU 77 HD23 LEU 77 -12.634 7.928 -23.795 583 H ALA 78 H ALA 78 -11.269 6.658 -18.879 584 HA ALA 78 HA ALA 78 -13.033 4.470 -18.432 585 HB1 ALA 78 HB1 ALA 78 -10.603 4.217 -18.874 586 HB2 ALA 78 HB2 ALA 78 -10.235 4.952 -17.303 587 HB3 ALA 78 HB3 ALA 78 -11.078 3.390 -17.372 588 H ALA 79 H ALA 79 -11.741 7.004 -16.265 589 HA ALA 79 HA ALA 79 -12.736 5.919 -13.800 590 HB1 ALA 79 HB1 ALA 79 -11.049 7.734 -13.904 591 HB2 ALA 79 HB2 ALA 79 -12.257 8.802 -14.634 592 HB3 ALA 79 HB3 ALA 79 -12.510 8.217 -12.978 593 H LYS 80 H LYS 80 -14.263 7.991 -16.293 594 HA LYS 80 HA LYS 80 -16.659 8.416 -14.737 595 HB2 LYS 80 HB2 LYS 80 -15.941 9.849 -16.658 596 HB3 LYS 80 HB3 LYS 80 -16.274 8.506 -17.755 597 HG2 LYS 80 HG2 LYS 80 -18.662 8.554 -17.100 598 HG3 LYS 80 HG3 LYS 80 -18.315 9.886 -15.962 599 HD2 LYS 80 HD2 LYS 80 -17.534 11.291 -17.838 600 HD3 LYS 80 HD3 LYS 80 -17.871 9.982 -18.997 601 HE2 LYS 80 HE2 LYS 80 -19.951 11.341 -17.199 602 HE3 LYS 80 HE3 LYS 80 -19.659 11.711 -18.906 603 HZ1 LYS 80 HZ1 LYS 80 -21.521 10.191 -18.611 604 HZ2 LYS 80 HZ2 LYS 80 -20.537 9.073 -17.918 605 HZ3 LYS 80 HZ3 LYS 80 -20.332 9.483 -19.507 606 H SER 81 H SER 81 -15.547 5.885 -16.960 607 HA SER 81 HA SER 81 -18.141 4.618 -17.208 608 HB2 SER 81 HB2 SER 81 -16.254 4.345 -18.824 609 HB3 SER 81 HB3 SER 81 -15.371 3.457 -17.571 610 HG SER 81 HG SER 81 -16.477 2.073 -18.978 611 H ALA 82 H ALA 82 -15.416 4.400 -14.956 612 HA ALA 82 HA ALA 82 -16.270 1.981 -13.669 613 HB1 ALA 82 HB1 ALA 82 -14.487 2.493 -12.067 614 HB2 ALA 82 HB2 ALA 82 -13.926 2.762 -13.718 615 HB3 ALA 82 HB3 ALA 82 -14.349 4.149 -12.701 616 H SER 83 H SER 83 -18.376 4.095 -13.749 617 HA SER 83 HA SER 83 -18.708 5.122 -11.059 618 HB2 SER 83 HB2 SER 83 -21.016 5.602 -11.890 619 HB3 SER 83 HB3 SER 83 -19.756 6.153 -13.029 620 HG SER 83 HG SER 83 -21.294 5.033 -14.179 621 H TRP 84 H TRP 84 -19.158 2.044 -12.516 622 HA TRP 84 HA TRP 84 -20.102 0.098 -11.868 623 HB2 TRP 84 HB2 TRP 84 -18.409 0.670 -10.064 624 HB3 TRP 84 HB3 TRP 84 -19.767 1.085 -9.039 625 HD1 TRP 84 HD1 TRP 84 -21.137 -0.905 -7.953 626 HE1 TRP 84 HE1 TRP 84 -20.887 -3.431 -7.838 627 HE3 TRP 84 HE3 TRP 84 -17.576 -1.404 -11.565 628 HZ2 TRP 84 HZ2 TRP 84 -19.358 -5.450 -9.176 629 HZ3 TRP 84 HZ3 TRP 84 -16.742 -3.721 -12.130 630 HH2 TRP 84 HH2 TRP 84 -17.633 -5.696 -10.933 631 H SER 85 H SER 85 -22.113 1.297 -12.801 632 HA SER 85 HA SER 85 -24.314 0.656 -10.931 633 HB2 SER 85 HB2 SER 85 -23.908 3.130 -10.690 634 HB3 SER 85 HB3 SER 85 -24.179 3.306 -12.437 635 HG SER 85 HG SER 85 -26.075 3.718 -11.334 636 H HIS 86 H HIS 86 -26.335 0.424 -12.178 637 HA HIS 86 HA HIS 86 -25.900 -1.064 -14.559 638 HB2 HIS 86 HB2 HIS 86 -28.426 0.157 -13.366 639 HB3 HIS 86 HB3 HIS 86 -28.427 -0.988 -14.726 640 HD1 HIS 86 HD1 HIS 86 -29.496 -1.313 -11.546 641 HD2 HIS 86 HD2 HIS 86 -26.325 -3.196 -13.472 642 HE1 HIS 86 HE1 HIS 86 -29.017 -3.459 -10.291 643 HA PRO 87 HA PRO 87 -25.873 2.298 -17.384 644 HB2 PRO 87 HB2 PRO 87 -26.578 1.154 -19.732 645 HB3 PRO 87 HB3 PRO 87 -24.996 0.820 -18.952 646 HG2 PRO 87 HG2 PRO 87 -27.574 -0.787 -18.825 647 HG3 PRO 87 HG3 PRO 87 -25.914 -1.362 -19.242 648 HD2 PRO 87 HD2 PRO 87 -26.920 -1.626 -16.759 649 HD3 PRO 87 HD3 PRO 87 -25.192 -1.217 -17.015 650 H GLN 88 H GLN 88 -27.313 3.641 -18.701 651 HA GLN 88 HA GLN 88 -30.216 3.055 -18.375 652 HB2 GLN 88 HB2 GLN 88 -29.347 4.676 -16.627 653 HB3 GLN 88 HB3 GLN 88 -28.814 5.734 -17.935 654 HG2 GLN 88 HG2 GLN 88 -30.938 6.490 -16.991 655 HG3 GLN 88 HG3 GLN 88 -31.114 6.058 -18.693 656 HE21 GLN 88 HE21 GLN 88 -31.566 4.836 -15.376 657 HE22 GLN 88 HE22 GLN 88 -32.896 3.772 -15.784 658 H PHE 89 H PHE 89 -31.479 4.026 -20.108 659 HA PHE 89 HA PHE 89 -29.873 4.339 -22.562 660 HB2 PHE 89 HB2 PHE 89 -31.971 4.213 -23.757 661 HB3 PHE 89 HB3 PHE 89 -31.839 2.867 -22.620 662 HD1 PHE 89 HD2 PHE 89 -33.480 6.148 -23.225 663 HD2 PHE 89 HD1 PHE 89 -33.423 2.583 -20.826 664 HE1 PHE 89 HE2 PHE 89 -35.682 6.796 -22.200 665 HE2 PHE 89 HE1 PHE 89 -35.581 3.225 -19.790 666 HZ PHE 89 HZ PHE 89 -36.736 5.330 -20.481 667 H GLU 90 H GLU 90 -30.325 6.052 -24.081 668 HA GLU 90 HA GLU 90 -31.247 8.591 -22.795 669 HB2 GLU 90 HB2 GLU 90 -28.730 8.392 -22.941 670 HB3 GLU 90 HB3 GLU 90 -28.855 8.243 -24.684 671 HG2 GLU 90 HG2 GLU 90 -29.747 10.550 -24.848 672 HG3 GLU 90 HG3 GLU 90 -29.898 10.632 -23.084 673 H LYS 91 H LYS 91 -32.328 9.969 -24.399 674 HA LYS 91 HA LYS 91 -33.000 8.607 -26.944 675 HB2 LYS 91 HB2 LYS 91 -34.791 10.403 -25.247 676 HB3 LYS 91 HB3 LYS 91 -35.199 9.675 -26.815 677 HG2 LYS 91 HG2 LYS 91 -34.573 8.202 -24.252 678 HG3 LYS 91 HG3 LYS 91 -36.206 8.444 -24.942 679 HD2 LYS 91 HD2 LYS 91 -33.917 6.882 -26.192 680 HD3 LYS 91 HD3 LYS 91 -35.280 6.197 -25.511 681 HE2 LYS 91 HE2 LYS 91 -35.239 7.712 -27.991 682 HE3 LYS 91 HE3 LYS 91 -35.596 6.004 -27.793 683 HZ1 LYS 91 HZ1 LYS 91 -37.715 6.605 -26.790 684 HZ2 LYS 91 HZ2 LYS 91 -37.583 7.388 -28.227 685 HZ3 LYS 91 HZ3 LYS 91 -37.360 8.211 -26.811 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.420 -11.700 -3.586 2 HA2 GLY 1 HA2 GLY 1 9.597 -10.109 -4.841 3 HA3 GLY 1 HA3 GLY 1 8.838 -10.835 -6.272 4 H ALA 2 H ALA 2 8.935 -8.464 -6.988 5 HA ALA 2 HA ALA 2 7.096 -6.604 -5.750 6 HB1 ALA 2 HB1 ALA 2 7.445 -5.301 -7.836 7 HB2 ALA 2 HB2 ALA 2 8.999 -5.860 -7.179 8 HB3 ALA 2 HB3 ALA 2 8.266 -6.691 -8.577 9 H MET 3 H MET 3 5.062 -5.881 -6.750 10 HA MET 3 HA MET 3 3.445 -8.147 -7.638 11 HB2 MET 3 HB2 MET 3 2.790 -5.185 -7.368 12 HB3 MET 3 HB3 MET 3 1.618 -6.471 -7.678 13 HG2 MET 3 HG2 MET 3 3.323 -6.195 -5.176 14 HG3 MET 3 HG3 MET 3 1.604 -5.786 -5.320 15 HE1 MET 3 HE1 MET 3 4.247 -8.553 -4.720 16 HE2 MET 3 HE2 MET 3 3.309 -7.969 -3.320 17 HE3 MET 3 HE3 MET 3 3.147 -9.655 -3.860 18 H ALA 4 H ALA 4 2.438 -8.368 -9.653 19 HA ALA 4 HA ALA 4 3.940 -7.321 -11.896 20 HB1 ALA 4 HB1 ALA 4 2.299 -8.602 -13.251 21 HB2 ALA 4 HB2 ALA 4 2.941 -9.597 -11.922 22 HB3 ALA 4 HB3 ALA 4 1.311 -8.885 -11.799 23 H LYS 5 H LYS 5 3.202 -5.915 -13.519 24 HA LYS 5 HA LYS 5 1.104 -3.987 -12.629 25 HB2 LYS 5 HB2 LYS 5 3.161 -3.880 -14.866 26 HB3 LYS 5 HB3 LYS 5 1.939 -2.639 -14.555 27 HG2 LYS 5 HG2 LYS 5 2.920 -2.219 -12.319 28 HG3 LYS 5 HG3 LYS 5 4.129 -3.479 -12.612 29 HD2 LYS 5 HD2 LYS 5 5.210 -1.402 -13.061 30 HD3 LYS 5 HD3 LYS 5 4.893 -2.146 -14.638 31 HE2 LYS 5 HE2 LYS 5 2.874 -0.712 -14.899 32 HE3 LYS 5 HE3 LYS 5 3.203 0.027 -13.317 33 HZ1 LYS 5 HZ1 LYS 5 4.990 0.155 -15.681 34 HZ2 LYS 5 HZ2 LYS 5 5.302 0.843 -14.214 35 HZ3 LYS 5 HZ3 LYS 5 4.041 1.386 -15.129 36 H ALA 6 H ALA 6 -0.645 -3.477 -14.033 37 HA ALA 6 HA ALA 6 -1.634 -5.668 -15.628 38 HB1 ALA 6 HB1 ALA 6 -3.171 -4.027 -14.435 39 HB2 ALA 6 HB2 ALA 6 -2.509 -2.745 -15.482 40 HB3 ALA 6 HB3 ALA 6 -3.471 -4.039 -16.202 41 HA PRO 7 HA PRO 7 0.336 -4.518 -19.504 42 HB2 PRO 7 HB2 PRO 7 -1.387 -5.670 -21.318 43 HB3 PRO 7 HB3 PRO 7 -0.412 -6.693 -20.196 44 HG2 PRO 7 HG2 PRO 7 -3.222 -5.768 -20.012 45 HG3 PRO 7 HG3 PRO 7 -2.480 -7.403 -19.864 46 HD2 PRO 7 HD2 PRO 7 -3.118 -5.936 -17.691 47 HD3 PRO 7 HD3 PRO 7 -1.710 -7.051 -17.683 48 H GLU 8 H GLU 8 0.080 -3.324 -21.361 49 HA GLU 8 HA GLU 8 -1.556 -0.987 -20.959 50 HB2 GLU 8 HB2 GLU 8 -0.269 -0.017 -22.913 51 HB3 GLU 8 HB3 GLU 8 0.743 -0.838 -21.671 52 HG2 GLU 8 HG2 GLU 8 0.872 -2.952 -23.173 53 HG3 GLU 8 HG3 GLU 8 -0.193 -2.075 -24.327 54 H SER 9 H SER 9 -2.833 -0.070 -22.928 55 HA SER 9 HA SER 9 -4.189 -2.307 -24.348 56 HB2 SER 9 HB2 SER 9 -5.664 -1.182 -22.747 57 HB3 SER 9 HB3 SER 9 -5.273 0.387 -23.458 58 HG SER 9 HG SER 9 -7.216 -0.355 -24.329 59 H ALA 10 H ALA 10 -4.893 -1.935 -26.483 60 HA ALA 10 HA ALA 10 -3.021 -0.455 -28.100 61 HB1 ALA 10 HB1 ALA 10 -4.067 -2.573 -28.845 62 HB2 ALA 10 HB2 ALA 10 -5.667 -1.790 -28.835 63 HB3 ALA 10 HB3 ALA 10 -4.413 -1.244 -29.975 64 H THR 11 H THR 11 -6.148 0.264 -26.670 65 HA THR 11 HA THR 11 -7.082 2.140 -28.521 66 HB THR 11 HB THR 11 -7.431 2.418 -25.486 67 HG1 THR 11 HG1 THR 11 -9.207 0.875 -25.917 68 HG21 THR 11 HG21 THR 11 -8.552 4.104 -26.926 69 HG22 THR 11 HG22 THR 11 -9.727 3.068 -26.103 70 HG23 THR 11 HG23 THR 11 -9.363 2.808 -27.836 71 H GLU 12 H GLU 12 -4.758 2.642 -25.854 72 HA GLU 12 HA GLU 12 -4.811 5.516 -25.964 73 HB2 GLU 12 HB2 GLU 12 -2.515 3.661 -25.164 74 HB3 GLU 12 HB3 GLU 12 -2.502 5.367 -24.956 75 HG2 GLU 12 HG2 GLU 12 -3.056 4.576 -22.870 76 HG3 GLU 12 HG3 GLU 12 -4.618 5.141 -23.494 77 H LYS 13 H LYS 13 -3.063 3.039 -27.724 78 HA LYS 13 HA LYS 13 -1.120 4.747 -28.909 79 HB2 LYS 13 HB2 LYS 13 -2.230 2.256 -30.104 80 HB3 LYS 13 HB3 LYS 13 -0.605 2.903 -30.273 81 HG2 LYS 13 HG2 LYS 13 -1.739 1.816 -27.733 82 HG3 LYS 13 HG3 LYS 13 -0.794 0.885 -28.760 83 HD2 LYS 13 HD2 LYS 13 1.057 2.540 -28.569 84 HD3 LYS 13 HD3 LYS 13 0.077 3.361 -27.336 85 HE2 LYS 13 HE2 LYS 13 0.995 0.449 -27.179 86 HE3 LYS 13 HE3 LYS 13 1.783 1.799 -26.355 87 HZ1 LYS 13 HZ1 LYS 13 -0.970 0.800 -25.898 88 HZ2 LYS 13 HZ2 LYS 13 -0.343 2.153 -25.187 89 HZ3 LYS 13 HZ3 LYS 13 0.334 0.679 -24.880 90 H VAL 14 H VAL 14 -4.305 3.710 -29.981 91 HA VAL 14 HA VAL 14 -4.016 4.808 -32.648 92 HB VAL 14 HB VAL 14 -6.568 4.225 -31.084 93 HG11 VAL 14 HG11 VAL 14 -6.964 5.723 -32.991 94 HG12 VAL 14 HG12 VAL 14 -6.075 4.626 -34.072 95 HG13 VAL 14 HG13 VAL 14 -7.610 4.109 -33.340 96 HG21 VAL 14 HG21 VAL 14 -5.238 2.188 -31.292 97 HG22 VAL 14 HG22 VAL 14 -6.624 2.119 -32.391 98 HG23 VAL 14 HG23 VAL 14 -5.009 2.480 -33.038 99 H LEU 15 H LEU 15 -5.505 5.869 -29.588 100 HA LEU 15 HA LEU 15 -6.447 8.370 -30.581 101 HB2 LEU 15 HB2 LEU 15 -5.612 7.388 -27.850 102 HB3 LEU 15 HB3 LEU 15 -6.396 8.970 -28.103 103 HG LEU 15 HG LEU 15 -7.677 6.284 -28.882 104 HD11 LEU 15 HD11 LEU 15 -6.973 6.319 -26.544 105 HD12 LEU 15 HD12 LEU 15 -8.742 6.408 -26.665 106 HD13 LEU 15 HD13 LEU 15 -7.795 7.865 -26.261 107 HD21 LEU 15 HD21 LEU 15 -9.778 7.572 -28.655 108 HD22 LEU 15 HD22 LEU 15 -8.719 8.284 -29.896 109 HD23 LEU 15 HD23 LEU 15 -8.850 9.049 -28.298 110 H CYS 16 H CYS 16 -3.396 7.447 -29.119 111 HA CYS 16 HA CYS 16 -2.255 10.050 -28.896 112 HB2 CYS 16 HB2 CYS 16 -1.029 7.314 -29.443 113 HB3 CYS 16 HB3 CYS 16 -0.049 8.740 -29.319 114 HG CYS 16 HG CYS 16 -2.144 7.451 -27.130 115 H ALA 17 H ALA 17 -2.156 7.592 -31.641 116 HA ALA 17 HA ALA 17 -0.386 9.103 -33.439 117 HB1 ALA 17 HB1 ALA 17 -2.476 7.164 -34.038 118 HB2 ALA 17 HB2 ALA 17 -1.184 7.757 -35.121 119 HB3 ALA 17 HB3 ALA 17 -0.806 6.828 -33.633 120 H LEU 18 H LEU 18 -3.998 8.968 -32.877 121 HA LEU 18 HA LEU 18 -4.744 10.665 -35.010 122 HB2 LEU 18 HB2 LEU 18 -5.967 9.365 -32.689 123 HB3 LEU 18 HB3 LEU 18 -6.713 10.897 -33.107 124 HG LEU 18 HG LEU 18 -7.124 10.187 -35.369 125 HD11 LEU 18 HD11 LEU 18 -5.881 7.486 -34.703 126 HD12 LEU 18 HD12 LEU 18 -5.154 8.731 -35.760 127 HD13 LEU 18 HD13 LEU 18 -6.685 7.966 -36.214 128 HD21 LEU 18 HD21 LEU 18 -7.945 8.040 -33.419 129 HD22 LEU 18 HD22 LEU 18 -8.717 8.411 -34.995 130 HD23 LEU 18 HD23 LEU 18 -8.758 9.618 -33.680 131 H TYR 19 H TYR 19 -3.764 11.479 -31.630 132 HA TYR 19 HA TYR 19 -4.705 14.204 -31.774 133 HB2 TYR 19 HB2 TYR 19 -2.574 12.665 -30.236 134 HB3 TYR 19 HB3 TYR 19 -2.520 14.444 -30.304 135 HD1 TYR 19 HD1 TYR 19 -5.650 12.417 -29.989 136 HD2 TYR 19 HD2 TYR 19 -2.900 15.187 -28.109 137 HE1 TYR 19 HE1 TYR 19 -7.196 12.708 -28.030 138 HE2 TYR 19 HE2 TYR 19 -4.451 15.375 -26.185 139 HH TYR 19 HH TYR 19 -6.423 14.774 -25.264 140 H ALA 20 H ALA 20 -1.543 12.605 -32.643 141 HA ALA 20 HA ALA 20 -0.309 15.049 -33.410 142 HB1 ALA 20 HB1 ALA 20 0.140 12.169 -34.435 143 HB2 ALA 20 HB2 ALA 20 1.267 13.533 -34.676 144 HB3 ALA 20 HB3 ALA 20 0.959 12.918 -33.042 145 H GLU 21 H GLU 21 -2.398 12.844 -35.203 146 HA GLU 21 HA GLU 21 -1.939 13.797 -37.829 147 HB2 GLU 21 HB2 GLU 21 -4.194 12.276 -36.505 148 HB3 GLU 21 HB3 GLU 21 -4.386 12.902 -38.138 149 HG2 GLU 21 HG2 GLU 21 -1.890 11.384 -37.707 150 HG3 GLU 21 HG3 GLU 21 -3.373 10.421 -37.533 151 H ILE 22 H ILE 22 -4.155 14.705 -35.310 152 HA ILE 22 HA ILE 22 -5.619 16.554 -37.015 153 HB ILE 22 HB ILE 22 -5.638 15.799 -34.158 154 HG12 ILE 22 HG12 ILE 22 -6.237 14.090 -35.964 155 HG13 ILE 22 HG13 ILE 22 -7.562 14.362 -34.738 156 HG21 ILE 22 HG21 ILE 22 -6.641 18.095 -34.254 157 HG22 ILE 22 HG22 ILE 22 -7.569 17.694 -35.729 158 HG23 ILE 22 HG23 ILE 22 -8.018 16.975 -34.182 159 HD11 ILE 22 HD11 ILE 22 -8.644 15.833 -36.482 160 HD12 ILE 22 HD12 ILE 22 -7.318 15.280 -37.549 161 HD13 ILE 22 HD13 ILE 22 -8.486 14.119 -36.906 162 H LEU 23 H LEU 23 -3.313 16.708 -34.412 163 HA LEU 23 HA LEU 23 -3.501 19.618 -34.316 164 HB2 LEU 23 HB2 LEU 23 -1.560 17.647 -33.005 165 HB3 LEU 23 HB3 LEU 23 -1.674 19.365 -32.618 166 HG LEU 23 HG LEU 23 -4.053 17.509 -32.279 167 HD11 LEU 23 HD11 LEU 23 -3.433 17.146 -29.975 168 HD12 LEU 23 HD12 LEU 23 -1.924 18.113 -30.194 169 HD13 LEU 23 HD13 LEU 23 -2.108 16.559 -31.062 170 HD21 LEU 23 HD21 LEU 23 -3.234 20.218 -31.145 171 HD22 LEU 23 HD22 LEU 23 -4.652 19.233 -30.560 172 HD23 LEU 23 HD23 LEU 23 -4.588 19.829 -32.279 173 H GLY 24 H GLY 24 -1.545 17.338 -36.068 174 HA2 GLY 24 HA2 GLY 24 -0.115 17.856 -37.816 175 HA3 GLY 24 HA3 GLY 24 -0.368 19.581 -37.498 176 H VAL 25 H VAL 25 0.762 17.210 -35.121 177 HA VAL 25 HA VAL 25 3.336 18.730 -34.990 178 HB VAL 25 HB VAL 25 3.455 18.008 -32.604 179 HG11 VAL 25 HG11 VAL 25 0.900 19.539 -33.297 180 HG12 VAL 25 HG12 VAL 25 1.795 19.612 -31.764 181 HG13 VAL 25 HG13 VAL 25 2.536 20.236 -33.250 182 HG21 VAL 25 HG21 VAL 25 1.486 17.085 -31.477 183 HG22 VAL 25 HG22 VAL 25 0.574 17.076 -33.000 184 HG23 VAL 25 HG23 VAL 25 1.971 15.997 -32.789 185 H GLU 26 H GLU 26 5.263 17.494 -34.500 186 HA GLU 26 HA GLU 26 5.413 15.213 -36.190 187 HB2 GLU 26 HB2 GLU 26 7.337 16.207 -34.050 188 HB3 GLU 26 HB3 GLU 26 7.721 15.004 -35.279 189 HG2 GLU 26 HG2 GLU 26 7.185 16.748 -37.004 190 HG3 GLU 26 HG3 GLU 26 7.079 17.942 -35.712 191 H ARG 27 H ARG 27 5.083 15.534 -32.679 192 HA ARG 27 HA ARG 27 4.840 12.554 -32.375 193 HB2 ARG 27 HB2 ARG 27 7.244 13.827 -31.580 194 HB3 ARG 27 HB3 ARG 27 6.197 13.406 -30.230 195 HG2 ARG 27 HG2 ARG 27 7.177 11.382 -30.336 196 HG3 ARG 27 HG3 ARG 27 6.029 11.130 -31.683 197 HD2 ARG 27 HD2 ARG 27 8.870 12.230 -32.002 198 HD3 ARG 27 HD3 ARG 27 8.442 10.532 -32.261 199 HE ARG 27 HE ARG 27 6.741 12.167 -33.862 200 HH11 ARG 27 HH11 ARG 27 10.147 11.162 -33.776 201 HH12 ARG 27 HH12 ARG 27 10.334 11.409 -35.492 202 HH21 ARG 27 HH21 ARG 27 7.059 12.466 -35.961 203 HH22 ARG 27 HH22 ARG 27 8.600 12.146 -36.726 204 H VAL 28 H VAL 28 3.840 12.300 -30.003 205 HA VAL 28 HA VAL 28 2.843 14.658 -28.748 206 HB VAL 28 HB VAL 28 1.055 14.217 -30.654 207 HG11 VAL 28 HG11 VAL 28 -0.136 12.321 -30.757 208 HG12 VAL 28 HG12 VAL 28 1.501 11.702 -30.692 209 HG13 VAL 28 HG13 VAL 28 0.578 11.648 -29.255 210 HG21 VAL 28 HG21 VAL 28 -0.680 14.527 -29.418 211 HG22 VAL 28 HG22 VAL 28 -0.036 13.812 -28.042 212 HG23 VAL 28 HG23 VAL 28 0.536 15.284 -28.619 213 H GLY 29 H GLY 29 2.498 14.053 -26.516 214 HA2 GLY 29 HA2 GLY 29 3.605 11.409 -25.750 215 HA3 GLY 29 HA3 GLY 29 3.069 12.708 -24.681 216 H VAL 30 H VAL 30 2.454 10.183 -23.970 217 HA VAL 30 HA VAL 30 -0.226 9.501 -24.904 218 HB VAL 30 HB VAL 30 1.786 8.015 -23.627 219 HG11 VAL 30 HG11 VAL 30 -0.461 8.385 -21.644 220 HG12 VAL 30 HG12 VAL 30 0.863 7.201 -21.529 221 HG13 VAL 30 HG13 VAL 30 1.207 8.954 -21.403 222 HG21 VAL 30 HG21 VAL 30 0.251 7.013 -25.055 223 HG22 VAL 30 HG22 VAL 30 0.058 6.206 -23.493 224 HG23 VAL 30 HG23 VAL 30 -1.140 7.421 -24.031 225 H ASP 31 H ASP 31 1.190 11.648 -22.700 226 HA ASP 31 HA ASP 31 -1.390 12.082 -21.248 227 HB2 ASP 31 HB2 ASP 31 -0.047 12.919 -19.447 228 HB3 ASP 31 HB3 ASP 31 0.479 11.336 -19.924 229 H ASP 32 H ASP 32 -0.223 13.203 -23.829 230 HA ASP 32 HA ASP 32 0.497 15.869 -23.340 231 HB2 ASP 32 HB2 ASP 32 0.741 14.207 -25.527 232 HB3 ASP 32 HB3 ASP 32 -0.533 15.290 -26.062 233 H ALA 33 H ALA 33 -0.721 17.660 -23.145 234 HA ALA 33 HA ALA 33 -3.634 17.296 -23.118 235 HB1 ALA 33 HB1 ALA 33 -2.483 18.665 -21.416 236 HB2 ALA 33 HB2 ALA 33 -1.944 19.769 -22.695 237 HB3 ALA 33 HB3 ALA 33 -3.677 19.605 -22.345 238 H PHE 34 H PHE 34 -4.826 17.414 -24.844 239 HA PHE 34 HA PHE 34 -4.063 17.997 -27.430 240 HB2 PHE 34 HB2 PHE 34 -6.223 16.987 -26.568 241 HB3 PHE 34 HB3 PHE 34 -6.806 18.616 -26.238 242 HD1 PHE 34 HD1 PHE 34 -5.512 16.432 -29.008 243 HD2 PHE 34 HD2 PHE 34 -7.933 19.822 -27.939 244 HE1 PHE 34 HE1 PHE 34 -6.373 16.525 -31.338 245 HE2 PHE 34 HE2 PHE 34 -8.798 19.933 -30.267 246 HZ PHE 34 HZ PHE 34 -8.017 18.277 -31.984 247 H HIS 35 H HIS 35 -5.293 20.361 -25.055 248 HA HIS 35 HA HIS 35 -5.468 22.479 -26.998 249 HB2 HIS 35 HB2 HIS 35 -5.989 23.916 -25.129 250 HB3 HIS 35 HB3 HIS 35 -6.878 22.398 -24.980 251 HD1 HIS 35 HD1 HIS 35 -6.777 21.350 -22.682 252 HD2 HIS 35 HD2 HIS 35 -3.482 23.815 -23.432 253 HE1 HIS 35 HE1 HIS 35 -5.344 21.324 -20.581 254 H ASP 36 H ASP 36 -2.704 21.275 -25.225 255 HA ASP 36 HA ASP 36 -1.403 23.901 -25.105 256 HB2 ASP 36 HB2 ASP 36 -0.462 21.063 -24.592 257 HB3 ASP 36 HB3 ASP 36 0.648 22.440 -24.587 258 H LEU 37 H LEU 37 -1.661 21.224 -27.336 259 HA LEU 37 HA LEU 37 0.398 22.329 -29.142 260 HB2 LEU 37 HB2 LEU 37 -1.639 20.115 -29.505 261 HB3 LEU 37 HB3 LEU 37 -0.420 20.547 -30.668 262 HG LEU 37 HG LEU 37 0.504 18.692 -29.830 263 HD11 LEU 37 HD11 LEU 37 2.133 20.519 -29.424 264 HD12 LEU 37 HD12 LEU 37 2.343 19.147 -28.311 265 HD13 LEU 37 HD13 LEU 37 1.552 20.631 -27.744 266 HD21 LEU 37 HD21 LEU 37 -1.303 18.322 -28.118 267 HD22 LEU 37 HD22 LEU 37 -0.330 19.273 -26.968 268 HD23 LEU 37 HD23 LEU 37 0.300 17.759 -27.656 269 H GLY 38 H GLY 38 -2.181 23.818 -28.271 270 HA2 GLY 38 HA2 GLY 38 -3.324 25.503 -29.404 271 HA3 GLY 38 HA3 GLY 38 -2.743 24.862 -30.946 272 H GLY 39 H GLY 39 -4.075 22.339 -29.154 273 HA2 GLY 39 HA2 GLY 39 -6.192 21.962 -30.970 274 HA3 GLY 39 HA3 GLY 39 -6.032 21.159 -29.410 275 H SER 40 H SER 40 -8.193 22.612 -31.115 276 HA SER 40 HA SER 40 -9.401 24.159 -28.854 277 HB2 SER 40 HB2 SER 40 -9.451 24.780 -31.837 278 HB3 SER 40 HB3 SER 40 -10.353 25.662 -30.587 279 HG SER 40 HG SER 40 -7.513 25.371 -30.637 280 H SER 41 H SER 41 -11.873 24.336 -29.236 281 HA SER 41 HA SER 41 -12.959 21.755 -29.332 282 HB2 SER 41 HB2 SER 41 -14.429 24.335 -29.960 283 HB3 SER 41 HB3 SER 41 -15.114 22.837 -29.291 284 HG SER 41 HG SER 41 -14.678 24.368 -27.648 285 H ALA 42 H ALA 42 -12.506 24.030 -32.032 286 HA ALA 42 HA ALA 42 -14.169 22.613 -33.892 287 HB1 ALA 42 HB1 ALA 42 -13.407 24.935 -34.283 288 HB2 ALA 42 HB2 ALA 42 -11.718 24.374 -34.388 289 HB3 ALA 42 HB3 ALA 42 -12.905 23.870 -35.615 290 H LEU 43 H LEU 43 -10.695 22.365 -33.037 291 HA LEU 43 HA LEU 43 -10.152 20.292 -34.978 292 HB2 LEU 43 HB2 LEU 43 -8.697 21.246 -32.497 293 HB3 LEU 43 HB3 LEU 43 -8.120 19.908 -33.478 294 HG LEU 43 HG LEU 43 -8.508 22.728 -34.521 295 HD11 LEU 43 HD11 LEU 43 -6.006 22.781 -34.501 296 HD12 LEU 43 HD12 LEU 43 -6.016 21.260 -33.600 297 HD13 LEU 43 HD13 LEU 43 -6.720 22.724 -32.883 298 HD21 LEU 43 HD21 LEU 43 -7.100 21.896 -36.414 299 HD22 LEU 43 HD22 LEU 43 -8.660 21.055 -36.304 300 HD23 LEU 43 HD23 LEU 43 -7.178 20.252 -35.727 301 H ALA 44 H ALA 44 -11.363 20.362 -31.649 302 HA ALA 44 HA ALA 44 -10.992 17.578 -31.132 303 HB1 ALA 44 HB1 ALA 44 -13.192 19.414 -30.090 304 HB2 ALA 44 HB2 ALA 44 -12.677 17.878 -29.372 305 HB3 ALA 44 HB3 ALA 44 -11.567 19.269 -29.372 306 H MET 45 H MET 45 -13.546 19.374 -32.837 307 HA MET 45 HA MET 45 -15.264 17.095 -33.172 308 HB2 MET 45 HB2 MET 45 -15.007 19.614 -34.825 309 HB3 MET 45 HB3 MET 45 -16.257 18.394 -35.104 310 HG2 MET 45 HG2 MET 45 -15.852 19.972 -32.499 311 HG3 MET 45 HG3 MET 45 -17.045 20.338 -33.757 312 HE1 MET 45 HE1 MET 45 -18.234 20.074 -30.982 313 HE2 MET 45 HE2 MET 45 -19.256 20.131 -32.438 314 HE3 MET 45 HE3 MET 45 -19.543 18.889 -31.196 315 H ARG 46 H ARG 46 -12.575 18.465 -35.113 316 HA ARG 46 HA ARG 46 -12.810 16.630 -37.306 317 HB2 ARG 46 HB2 ARG 46 -11.173 18.785 -36.592 318 HB3 ARG 46 HB3 ARG 46 -10.066 17.412 -36.607 319 HG2 ARG 46 HG2 ARG 46 -11.647 17.153 -38.936 320 HG3 ARG 46 HG3 ARG 46 -11.250 18.871 -38.801 321 HD2 ARG 46 HD2 ARG 46 -9.212 16.606 -38.660 322 HD3 ARG 46 HD3 ARG 46 -9.596 17.492 -40.142 323 HE ARG 46 HE ARG 46 -8.889 19.463 -38.333 324 HH11 ARG 46 HH11 ARG 46 -7.226 16.595 -39.579 325 HH12 ARG 46 HH12 ARG 46 -5.651 17.318 -39.374 326 HH21 ARG 46 HH21 ARG 46 -6.846 20.311 -38.145 327 HH22 ARG 46 HH22 ARG 46 -5.447 19.364 -38.570 328 H LEU 47 H LEU 47 -11.166 16.479 -34.173 329 HA LEU 47 HA LEU 47 -9.754 14.040 -34.604 330 HB2 LEU 47 HB2 LEU 47 -9.337 15.576 -32.704 331 HB3 LEU 47 HB3 LEU 47 -10.892 15.249 -32.118 332 HG LEU 47 HG LEU 47 -10.211 12.952 -31.541 333 HD11 LEU 47 HD11 LEU 47 -7.467 13.778 -32.546 334 HD12 LEU 47 HD12 LEU 47 -8.512 12.573 -33.312 335 HD13 LEU 47 HD13 LEU 47 -7.869 12.269 -31.686 336 HD21 LEU 47 HD21 LEU 47 -9.900 14.863 -29.996 337 HD22 LEU 47 HD22 LEU 47 -8.237 15.026 -30.588 338 HD23 LEU 47 HD23 LEU 47 -8.726 13.553 -29.732 339 H ILE 48 H ILE 48 -12.931 14.691 -33.175 340 HA ILE 48 HA ILE 48 -13.618 11.978 -32.632 341 HB ILE 48 HB ILE 48 -15.396 14.346 -33.340 342 HG12 ILE 48 HG12 ILE 48 -15.043 13.012 -30.612 343 HG13 ILE 48 HG13 ILE 48 -13.892 14.233 -31.184 344 HG21 ILE 48 HG21 ILE 48 -16.686 12.321 -33.813 345 HG22 ILE 48 HG22 ILE 48 -16.171 11.580 -32.291 346 HG23 ILE 48 HG23 ILE 48 -17.248 12.983 -32.279 347 HD11 ILE 48 HD11 ILE 48 -15.506 15.305 -29.799 348 HD12 ILE 48 HD12 ILE 48 -15.756 15.854 -31.466 349 HD13 ILE 48 HD13 ILE 48 -16.856 14.646 -30.745 350 H ALA 49 H ALA 49 -13.989 13.902 -35.656 351 HA ALA 49 HA ALA 49 -15.471 11.920 -37.074 352 HB1 ALA 49 HB1 ALA 49 -15.118 14.264 -37.879 353 HB2 ALA 49 HB2 ALA 49 -13.403 13.882 -38.171 354 HB3 ALA 49 HB3 ALA 49 -14.663 13.055 -39.107 355 H ARG 50 H ARG 50 -11.963 12.389 -36.627 356 HA ARG 50 HA ARG 50 -11.185 10.206 -38.341 357 HB2 ARG 50 HB2 ARG 50 -9.925 12.281 -37.428 358 HB3 ARG 50 HB3 ARG 50 -9.533 11.268 -36.022 359 HG2 ARG 50 HG2 ARG 50 -7.765 10.716 -37.280 360 HG3 ARG 50 HG3 ARG 50 -8.885 9.578 -38.042 361 HD2 ARG 50 HD2 ARG 50 -9.303 11.201 -39.822 362 HD3 ARG 50 HD3 ARG 50 -8.260 12.361 -38.994 363 HE ARG 50 HE ARG 50 -6.336 11.142 -39.621 364 HH11 ARG 50 HH11 ARG 50 -9.256 9.468 -40.819 365 HH12 ARG 50 HH12 ARG 50 -8.303 8.522 -41.931 366 HH21 ARG 50 HH21 ARG 50 -5.278 9.949 -41.058 367 HH22 ARG 50 HH22 ARG 50 -6.104 8.782 -42.080 368 H ILE 51 H ILE 51 -11.817 10.433 -34.810 369 HA ILE 51 HA ILE 51 -10.906 7.813 -34.154 370 HB ILE 51 HB ILE 51 -13.227 9.453 -32.841 371 HG12 ILE 51 HG12 ILE 51 -10.373 9.091 -31.875 372 HG13 ILE 51 HG13 ILE 51 -10.948 10.457 -32.801 373 HG21 ILE 51 HG21 ILE 51 -11.866 6.896 -32.015 374 HG22 ILE 51 HG22 ILE 51 -12.732 7.952 -30.877 375 HG23 ILE 51 HG23 ILE 51 -13.589 7.204 -32.230 376 HD11 ILE 51 HD11 ILE 51 -11.003 11.215 -30.563 377 HD12 ILE 51 HD12 ILE 51 -12.708 10.874 -30.934 378 HD13 ILE 51 HD13 ILE 51 -11.753 9.733 -29.969 379 H ARG 52 H ARG 52 -13.980 8.886 -35.598 380 HA ARG 52 HA ARG 52 -15.277 6.329 -35.260 381 HB2 ARG 52 HB2 ARG 52 -15.625 8.424 -37.471 382 HB3 ARG 52 HB3 ARG 52 -16.679 7.043 -37.159 383 HG2 ARG 52 HG2 ARG 52 -17.602 7.992 -35.253 384 HG3 ARG 52 HG3 ARG 52 -16.167 9.029 -34.970 385 HD2 ARG 52 HD2 ARG 52 -17.250 10.723 -36.184 386 HD3 ARG 52 HD3 ARG 52 -17.183 9.611 -37.545 387 HE ARG 52 HE ARG 52 -19.322 9.028 -35.614 388 HH11 ARG 52 HH11 ARG 52 -18.507 11.121 -38.364 389 HH12 ARG 52 HH12 ARG 52 -20.180 11.451 -38.728 390 HH21 ARG 52 HH21 ARG 52 -21.405 9.578 -36.073 391 HH22 ARG 52 HH22 ARG 52 -21.775 10.576 -37.466 392 H GLU 53 H GLU 53 -12.956 7.376 -37.623 393 HA GLU 53 HA GLU 53 -13.596 5.290 -39.507 394 HB2 GLU 53 HB2 GLU 53 -11.065 6.960 -39.165 395 HB3 GLU 53 HB3 GLU 53 -11.460 5.968 -40.566 396 HG2 GLU 53 HG2 GLU 53 -13.364 7.430 -41.096 397 HG3 GLU 53 HG3 GLU 53 -13.035 8.397 -39.651 398 H GLU 54 H GLU 54 -11.494 5.861 -36.776 399 HA GLU 54 HA GLU 54 -9.949 3.464 -37.260 400 HB2 GLU 54 HB2 GLU 54 -9.911 5.539 -35.076 401 HB3 GLU 54 HB3 GLU 54 -8.791 4.222 -35.153 402 HG2 GLU 54 HG2 GLU 54 -9.087 6.088 -37.506 403 HG3 GLU 54 HG3 GLU 54 -8.130 6.536 -36.103 404 H LEU 55 H LEU 55 -12.124 4.517 -34.625 405 HA LEU 55 HA LEU 55 -11.813 1.741 -33.500 406 HB2 LEU 55 HB2 LEU 55 -13.125 4.362 -32.299 407 HB3 LEU 55 HB3 LEU 55 -12.740 2.763 -31.471 408 HG LEU 55 HG LEU 55 -10.765 4.903 -32.316 409 HD11 LEU 55 HD11 LEU 55 -12.152 5.331 -30.312 410 HD12 LEU 55 HD12 LEU 55 -10.432 5.146 -29.893 411 HD13 LEU 55 HD13 LEU 55 -11.581 3.818 -29.618 412 HD21 LEU 55 HD21 LEU 55 -9.609 2.831 -32.648 413 HD22 LEU 55 HD22 LEU 55 -10.138 2.236 -31.055 414 HD23 LEU 55 HD23 LEU 55 -9.020 3.634 -31.159 415 H GLY 56 H GLY 56 -13.733 3.487 -35.422 416 HA2 GLY 56 HA2 GLY 56 -15.775 2.849 -36.347 417 HA3 GLY 56 HA3 GLY 56 -15.714 1.389 -35.355 418 H VAL 57 H VAL 57 -15.518 4.497 -33.801 419 HA VAL 57 HA VAL 57 -18.353 4.260 -33.001 420 HB VAL 57 HB VAL 57 -17.154 2.864 -31.409 421 HG11 VAL 57 HG11 VAL 57 -15.333 5.201 -30.896 422 HG12 VAL 57 HG12 VAL 57 -15.488 3.739 -29.878 423 HG13 VAL 57 HG13 VAL 57 -14.965 3.584 -31.551 424 HG21 VAL 57 HG21 VAL 57 -17.706 5.477 -30.087 425 HG22 VAL 57 HG22 VAL 57 -18.987 4.425 -30.556 426 HG23 VAL 57 HG23 VAL 57 -17.796 3.937 -29.348 427 H ASP 58 H ASP 58 -19.361 6.113 -32.393 428 HA ASP 58 HA ASP 58 -18.114 8.685 -32.953 429 HB2 ASP 58 HB2 ASP 58 -20.785 7.792 -31.803 430 HB3 ASP 58 HB3 ASP 58 -20.320 9.500 -31.850 431 H LEU 59 H LEU 59 -16.329 8.798 -31.511 432 HA LEU 59 HA LEU 59 -16.663 8.405 -28.700 433 HB2 LEU 59 HB2 LEU 59 -14.575 8.295 -30.011 434 HB3 LEU 59 HB3 LEU 59 -14.586 10.036 -30.142 435 HG LEU 59 HG LEU 59 -12.941 9.114 -28.544 436 HD11 LEU 59 HD11 LEU 59 -13.874 11.403 -28.284 437 HD12 LEU 59 HD12 LEU 59 -13.170 10.671 -26.832 438 HD13 LEU 59 HD13 LEU 59 -14.930 10.742 -27.021 439 HD21 LEU 59 HD21 LEU 59 -14.179 7.206 -27.711 440 HD22 LEU 59 HD22 LEU 59 -15.272 8.296 -26.839 441 HD23 LEU 59 HD23 LEU 59 -13.558 8.234 -26.412 442 HA PRO 60 HA PRO 60 -18.960 12.165 -28.055 443 HB2 PRO 60 HB2 PRO 60 -18.214 11.789 -25.173 444 HB3 PRO 60 HB3 PRO 60 -19.842 11.889 -25.907 445 HG2 PRO 60 HG2 PRO 60 -18.885 9.595 -24.999 446 HG3 PRO 60 HG3 PRO 60 -19.817 9.668 -26.524 447 HD2 PRO 60 HD2 PRO 60 -16.801 9.524 -26.178 448 HD3 PRO 60 HD3 PRO 60 -17.911 8.586 -27.243 449 H ILE 61 H ILE 61 -18.429 14.343 -27.966 450 HA ILE 61 HA ILE 61 -15.729 15.170 -27.453 451 HB ILE 61 HB ILE 61 -17.497 16.409 -28.816 452 HG12 ILE 61 HG12 ILE 61 -15.978 18.110 -26.823 453 HG13 ILE 61 HG13 ILE 61 -15.180 17.183 -28.090 454 HG21 ILE 61 HG21 ILE 61 -18.281 17.606 -26.108 455 HG22 ILE 61 HG22 ILE 61 -18.916 18.053 -27.706 456 HG23 ILE 61 HG23 ILE 61 -19.284 16.457 -27.031 457 HD11 ILE 61 HD11 ILE 61 -15.443 19.499 -28.792 458 HD12 ILE 61 HD12 ILE 61 -16.431 18.437 -29.817 459 HD13 ILE 61 HD13 ILE 61 -17.200 19.413 -28.541 460 H ARG 62 H ARG 62 -18.409 14.471 -25.362 461 HA ARG 62 HA ARG 62 -17.664 15.972 -23.073 462 HB2 ARG 62 HB2 ARG 62 -18.935 13.228 -23.164 463 HB3 ARG 62 HB3 ARG 62 -18.879 14.261 -21.792 464 HG2 ARG 62 HG2 ARG 62 -20.064 16.034 -23.262 465 HG3 ARG 62 HG3 ARG 62 -20.501 14.628 -24.257 466 HD2 ARG 62 HD2 ARG 62 -21.039 14.885 -21.273 467 HD3 ARG 62 HD3 ARG 62 -22.233 15.215 -22.528 468 HE ARG 62 HE ARG 62 -21.894 12.771 -23.208 469 HH11 ARG 62 HH11 ARG 62 -21.533 13.814 -19.835 470 HH12 ARG 62 HH12 ARG 62 -21.955 12.239 -19.220 471 HH21 ARG 62 HH21 ARG 62 -22.424 10.805 -22.333 472 HH22 ARG 62 HH22 ARG 62 -22.450 10.577 -20.605 473 H GLN 63 H GLN 63 -16.527 12.822 -24.343 474 HA GLN 63 HA GLN 63 -15.051 12.087 -21.980 475 HB2 GLN 63 HB2 GLN 63 -15.429 11.105 -24.701 476 HB3 GLN 63 HB3 GLN 63 -13.754 10.941 -24.168 477 HG2 GLN 63 HG2 GLN 63 -14.628 8.967 -23.462 478 HG3 GLN 63 HG3 GLN 63 -14.825 9.928 -22.005 479 HE21 GLN 63 HE21 GLN 63 -17.093 11.219 -22.110 480 HE22 GLN 63 HE22 GLN 63 -18.438 10.165 -22.473 481 H LEU 64 H LEU 64 -14.274 13.876 -24.972 482 HA LEU 64 HA LEU 64 -11.462 14.191 -24.436 483 HB2 LEU 64 HB2 LEU 64 -13.474 15.709 -26.107 484 HB3 LEU 64 HB3 LEU 64 -11.784 16.208 -26.014 485 HG LEU 64 HG LEU 64 -12.552 13.382 -26.827 486 HD11 LEU 64 HD11 LEU 64 -13.705 14.945 -28.356 487 HD12 LEU 64 HD12 LEU 64 -12.385 14.082 -29.174 488 HD13 LEU 64 HD13 LEU 64 -12.159 15.768 -28.660 489 HD21 LEU 64 HD21 LEU 64 -10.180 13.966 -26.160 490 HD22 LEU 64 HD22 LEU 64 -10.122 15.082 -27.535 491 HD23 LEU 64 HD23 LEU 64 -10.352 13.340 -27.810 492 H PHE 65 H PHE 65 -14.315 16.251 -23.686 493 HA PHE 65 HA PHE 65 -12.694 18.300 -22.473 494 HB2 PHE 65 HB2 PHE 65 -15.637 17.612 -22.185 495 HB3 PHE 65 HB3 PHE 65 -14.871 19.023 -21.450 496 HD1 PHE 65 HD2 PHE 65 -12.987 19.126 -24.263 497 HD2 PHE 65 HD1 PHE 65 -17.168 19.378 -23.212 498 HE1 PHE 65 HE2 PHE 65 -13.411 20.481 -26.289 499 HE2 PHE 65 HE1 PHE 65 -17.588 20.744 -25.250 500 HZ PHE 65 HZ PHE 65 -15.704 21.310 -26.785 501 H SER 66 H SER 66 -14.078 15.293 -21.232 502 HA SER 66 HA SER 66 -13.735 15.978 -18.439 503 HB2 SER 66 HB2 SER 66 -13.835 13.249 -19.790 504 HB3 SER 66 HB3 SER 66 -14.015 13.559 -18.050 505 HG SER 66 HG SER 66 -15.718 14.515 -20.132 506 H SER 67 H SER 67 -11.650 14.636 -20.949 507 HA SER 67 HA SER 67 -9.321 14.910 -19.166 508 HB2 SER 67 HB2 SER 67 -10.127 12.251 -20.396 509 HB3 SER 67 HB3 SER 67 -8.558 12.603 -19.640 510 HG SER 67 HG SER 67 -10.598 13.330 -18.014 511 HA PRO 68 HA PRO 68 -8.684 15.993 -23.548 512 HB2 PRO 68 HB2 PRO 68 -7.083 18.165 -23.243 513 HB3 PRO 68 HB3 PRO 68 -8.816 18.220 -22.806 514 HG2 PRO 68 HG2 PRO 68 -6.455 17.694 -21.024 515 HG3 PRO 68 HG3 PRO 68 -7.744 18.929 -20.850 516 HD2 PRO 68 HD2 PRO 68 -7.880 16.548 -19.563 517 HD3 PRO 68 HD3 PRO 68 -9.352 17.338 -20.233 518 H THR 69 H THR 69 -7.016 13.848 -22.215 519 HA THR 69 HA THR 69 -4.483 14.356 -23.737 520 HB THR 69 HB THR 69 -3.273 12.951 -22.071 521 HG1 THR 69 HG1 THR 69 -4.396 12.677 -20.031 522 HG21 THR 69 HG21 THR 69 -4.688 15.255 -20.734 523 HG22 THR 69 HG22 THR 69 -3.285 15.395 -21.821 524 HG23 THR 69 HG23 THR 69 -3.124 14.529 -20.290 525 HA PRO 70 HA PRO 70 -5.904 10.903 -25.726 526 HB2 PRO 70 HB2 PRO 70 -3.740 9.448 -26.578 527 HB3 PRO 70 HB3 PRO 70 -4.154 11.070 -27.250 528 HG2 PRO 70 HG2 PRO 70 -2.201 10.335 -25.133 529 HG3 PRO 70 HG3 PRO 70 -2.005 11.348 -26.582 530 HD2 PRO 70 HD2 PRO 70 -2.465 12.457 -24.173 531 HD3 PRO 70 HD3 PRO 70 -3.169 13.141 -25.675 532 H ALA 71 H ALA 71 -3.535 9.979 -23.157 533 HA ALA 71 HA ALA 71 -4.764 7.340 -22.841 534 HB1 ALA 71 HB1 ALA 71 -3.415 7.236 -20.760 535 HB2 ALA 71 HB2 ALA 71 -2.436 7.702 -22.167 536 HB3 ALA 71 HB3 ALA 71 -2.936 8.938 -20.991 537 H GLY 72 H GLY 72 -5.303 10.604 -21.629 538 HA2 GLY 72 HA2 GLY 72 -6.908 9.862 -19.367 539 HA3 GLY 72 HA3 GLY 72 -6.912 11.432 -20.190 540 H VAL 73 H VAL 73 -7.645 10.623 -22.782 541 HA VAL 73 HA VAL 73 -10.478 10.405 -22.579 542 HB VAL 73 HB VAL 73 -8.581 9.796 -24.915 543 HG11 VAL 73 HG11 VAL 73 -10.609 10.148 -26.340 544 HG12 VAL 73 HG12 VAL 73 -10.630 8.662 -25.388 545 HG13 VAL 73 HG13 VAL 73 -11.599 10.063 -24.862 546 HG21 VAL 73 HG21 VAL 73 -10.376 12.212 -24.440 547 HG22 VAL 73 HG22 VAL 73 -8.652 12.174 -24.059 548 HG23 VAL 73 HG23 VAL 73 -9.169 11.988 -25.734 549 H ALA 74 H ALA 74 -7.944 7.930 -23.224 550 HA ALA 74 HA ALA 74 -9.633 5.745 -23.556 551 HB1 ALA 74 HB1 ALA 74 -6.936 5.769 -22.164 552 HB2 ALA 74 HB2 ALA 74 -7.715 4.380 -22.934 553 HB3 ALA 74 HB3 ALA 74 -7.151 5.752 -23.927 554 H ARG 75 H ARG 75 -8.448 7.184 -20.514 555 HA ARG 75 HA ARG 75 -9.698 5.162 -18.826 556 HB2 ARG 75 HB2 ARG 75 -8.871 7.998 -18.083 557 HB3 ARG 75 HB3 ARG 75 -9.390 6.738 -16.913 558 HG2 ARG 75 HG2 ARG 75 -7.480 5.293 -17.810 559 HG3 ARG 75 HG3 ARG 75 -6.874 6.712 -18.682 560 HD2 ARG 75 HD2 ARG 75 -7.323 6.472 -15.684 561 HD3 ARG 75 HD3 ARG 75 -5.742 6.406 -16.494 562 HE ARG 75 HE ARG 75 -6.976 8.819 -17.276 563 HH11 ARG 75 HH11 ARG 75 -5.713 7.401 -14.294 564 HH12 ARG 75 HH12 ARG 75 -5.348 8.956 -13.595 565 HH21 ARG 75 HH21 ARG 75 -6.482 10.771 -16.329 566 HH22 ARG 75 HH22 ARG 75 -5.767 10.838 -14.742 567 H ALA 76 H ALA 76 -10.675 8.350 -20.072 568 HA ALA 76 HA ALA 76 -12.991 8.577 -18.395 569 HB1 ALA 76 HB1 ALA 76 -12.399 9.843 -21.105 570 HB2 ALA 76 HB2 ALA 76 -13.639 10.386 -19.941 571 HB3 ALA 76 HB3 ALA 76 -11.915 10.484 -19.522 572 H LEU 77 H LEU 77 -12.551 7.236 -21.697 573 HA LEU 77 HA LEU 77 -15.393 6.684 -21.954 574 HB2 LEU 77 HB2 LEU 77 -14.749 5.436 -23.984 575 HB3 LEU 77 HB3 LEU 77 -14.060 7.063 -23.952 576 HG LEU 77 HG LEU 77 -11.955 5.718 -22.942 577 HD11 LEU 77 HD11 LEU 77 -13.145 3.586 -24.760 578 HD12 LEU 77 HD12 LEU 77 -13.049 3.474 -22.997 579 HD13 LEU 77 HD13 LEU 77 -11.627 3.547 -23.964 580 HD21 LEU 77 HD21 LEU 77 -12.755 5.773 -25.862 581 HD22 LEU 77 HD22 LEU 77 -11.094 5.565 -25.227 582 HD23 LEU 77 HD23 LEU 77 -11.964 7.084 -24.945 583 H ALA 78 H ALA 78 -12.596 4.975 -20.672 584 HA ALA 78 HA ALA 78 -13.903 2.461 -20.562 585 HB1 ALA 78 HB1 ALA 78 -12.160 1.851 -18.899 586 HB2 ALA 78 HB2 ALA 78 -11.472 2.653 -20.329 587 HB3 ALA 78 HB3 ALA 78 -11.664 3.559 -18.812 588 H ALA 79 H ALA 79 -13.697 5.206 -18.285 589 HA ALA 79 HA ALA 79 -14.884 3.929 -16.059 590 HB1 ALA 79 HB1 ALA 79 -13.683 6.081 -15.928 591 HB2 ALA 79 HB2 ALA 79 -14.972 6.872 -16.868 592 HB3 ALA 79 HB3 ALA 79 -15.319 6.229 -15.246 593 H LYS 80 H LYS 80 -16.433 5.744 -18.740 594 HA LYS 80 HA LYS 80 -19.059 5.494 -17.528 595 HB2 LYS 80 HB2 LYS 80 -19.927 6.510 -19.520 596 HB3 LYS 80 HB3 LYS 80 -18.447 7.343 -19.043 597 HG2 LYS 80 HG2 LYS 80 -17.851 7.159 -21.190 598 HG3 LYS 80 HG3 LYS 80 -17.487 5.482 -20.791 599 HD2 LYS 80 HD2 LYS 80 -19.867 4.889 -21.436 600 HD3 LYS 80 HD3 LYS 80 -20.050 6.559 -22.006 601 HE2 LYS 80 HE2 LYS 80 -19.506 5.212 -23.910 602 HE3 LYS 80 HE3 LYS 80 -18.065 6.175 -23.520 603 HZ1 LYS 80 HZ1 LYS 80 -18.487 3.346 -22.718 604 HZ2 LYS 80 HZ2 LYS 80 -17.137 4.236 -22.413 605 HZ3 LYS 80 HZ3 LYS 80 -17.534 3.846 -23.967 606 H SER 81 H SER 81 -17.148 3.177 -19.075 607 HA SER 81 HA SER 81 -19.402 1.743 -20.324 608 HB2 SER 81 HB2 SER 81 -16.530 0.891 -19.800 609 HB3 SER 81 HB3 SER 81 -17.719 -0.008 -20.760 610 HG SER 81 HG SER 81 -16.160 1.478 -21.865 611 H ALA 82 H ALA 82 -18.023 2.072 -17.185 612 HA ALA 82 HA ALA 82 -18.733 -0.642 -16.323 613 HB1 ALA 82 HB1 ALA 82 -16.771 0.590 -15.364 614 HB2 ALA 82 HB2 ALA 82 -17.890 1.808 -14.701 615 HB3 ALA 82 HB3 ALA 82 -17.956 0.127 -14.118 616 H SER 83 H SER 83 -20.546 -1.194 -15.123 617 HA SER 83 HA SER 83 -22.812 0.629 -15.208 618 HB2 SER 83 HB2 SER 83 -22.535 -2.002 -13.709 619 HB3 SER 83 HB3 SER 83 -24.040 -1.204 -14.212 620 HG SER 83 HG SER 83 -23.265 -1.472 -16.407 621 H TRP 84 H TRP 84 -20.241 -0.043 -12.999 622 HA TRP 84 HA TRP 84 -21.606 0.758 -10.567 623 HB2 TRP 84 HB2 TRP 84 -19.511 -0.636 -10.632 624 HB3 TRP 84 HB3 TRP 84 -18.633 0.775 -11.238 625 HD1 TRP 84 HD1 TRP 84 -20.119 -0.677 -8.043 626 HE1 TRP 84 HE1 TRP 84 -19.440 0.700 -6.015 627 HE3 TRP 84 HE3 TRP 84 -17.963 3.236 -10.540 628 HZ2 TRP 84 HZ2 TRP 84 -18.159 3.203 -5.521 629 HZ3 TRP 84 HZ3 TRP 84 -17.006 5.125 -9.206 630 HH2 TRP 84 HH2 TRP 84 -17.115 5.099 -6.713 631 H SER 85 H SER 85 -21.960 2.816 -9.841 632 HA SER 85 HA SER 85 -20.520 5.041 -11.192 633 HB2 SER 85 HB2 SER 85 -23.528 4.854 -10.765 634 HB3 SER 85 HB3 SER 85 -22.657 6.287 -11.349 635 HG SER 85 HG SER 85 -22.551 3.748 -12.630 636 H HIS 86 H HIS 86 -20.181 6.827 -9.940 637 HA HIS 86 HA HIS 86 -20.765 6.571 -7.043 638 HB2 HIS 86 HB2 HIS 86 -19.200 8.486 -6.829 639 HB3 HIS 86 HB3 HIS 86 -18.447 7.093 -7.610 640 HD1 HIS 86 HD1 HIS 86 -17.800 7.345 -10.147 641 HD2 HIS 86 HD2 HIS 86 -19.498 10.744 -8.448 642 HE1 HIS 86 HE1 HIS 86 -17.404 9.244 -11.764 643 HA PRO 87 HA PRO 87 -23.995 9.511 -7.695 644 HB2 PRO 87 HB2 PRO 87 -24.189 10.857 -5.337 645 HB3 PRO 87 HB3 PRO 87 -24.634 9.123 -5.467 646 HG2 PRO 87 HG2 PRO 87 -22.041 10.344 -4.536 647 HG3 PRO 87 HG3 PRO 87 -23.060 9.114 -3.721 648 HD2 PRO 87 HD2 PRO 87 -20.900 8.428 -5.207 649 HD3 PRO 87 HD3 PRO 87 -22.391 7.420 -5.195 650 H GLN 88 H GLN 88 -24.411 11.825 -7.995 651 HA GLN 88 HA GLN 88 -21.937 13.512 -7.989 652 HB2 GLN 88 HB2 GLN 88 -22.572 12.723 -10.282 653 HB3 GLN 88 HB3 GLN 88 -24.168 13.450 -10.063 654 HG2 GLN 88 HG2 GLN 88 -23.072 15.683 -9.809 655 HG3 GLN 88 HG3 GLN 88 -21.513 14.924 -10.163 656 HE21 GLN 88 HE21 GLN 88 -24.058 16.599 -11.458 657 HE22 GLN 88 HE22 GLN 88 -23.867 16.157 -13.128 658 H PHE 89 H PHE 89 -22.195 15.495 -7.086 659 HA PHE 89 HA PHE 89 -24.954 16.340 -6.292 660 HB2 PHE 89 HB2 PHE 89 -23.390 16.109 -4.402 661 HB3 PHE 89 HB3 PHE 89 -22.214 17.139 -5.228 662 HD1 PHE 89 HD2 PHE 89 -25.636 17.128 -3.708 663 HD2 PHE 89 HD1 PHE 89 -22.316 19.509 -5.065 664 HE1 PHE 89 HE2 PHE 89 -26.676 19.150 -2.693 665 HE2 PHE 89 HE1 PHE 89 -23.348 21.535 -4.048 666 HZ PHE 89 HZ PHE 89 -25.532 21.360 -2.861 667 H GLU 90 H GLU 90 -25.717 18.284 -7.127 668 HA GLU 90 HA GLU 90 -23.878 20.149 -8.410 669 HB2 GLU 90 HB2 GLU 90 -24.930 20.099 -10.595 670 HB3 GLU 90 HB3 GLU 90 -24.207 18.536 -10.230 671 HG2 GLU 90 HG2 GLU 90 -26.412 17.598 -9.711 672 HG3 GLU 90 HG3 GLU 90 -27.158 19.176 -10.012 673 H LYS 91 H LYS 91 -25.457 21.843 -9.594 674 HA LYS 91 HA LYS 91 -26.964 23.041 -7.491 675 HB2 LYS 91 HB2 LYS 91 -27.083 24.878 -8.833 676 HB3 LYS 91 HB3 LYS 91 -25.712 24.070 -9.582 677 HG2 LYS 91 HG2 LYS 91 -28.593 24.032 -10.605 678 HG3 LYS 91 HG3 LYS 91 -27.290 25.031 -11.244 679 HD2 LYS 91 HD2 LYS 91 -26.434 23.341 -12.503 680 HD3 LYS 91 HD3 LYS 91 -26.658 22.143 -11.217 681 HE2 LYS 91 HE2 LYS 91 -29.117 22.146 -11.693 682 HE3 LYS 91 HE3 LYS 91 -28.802 23.187 -13.095 683 HZ1 LYS 91 HZ1 LYS 91 -28.931 20.792 -13.613 684 HZ2 LYS 91 HZ2 LYS 91 -27.591 20.509 -12.691 685 HZ3 LYS 91 HZ3 LYS 91 -27.477 21.442 -14.044 Start of MODEL 12 1 H1 GLY 1 H GLY 1 11.009 2.751 -9.587 2 HA2 GLY 1 HA2 GLY 1 12.409 0.898 -9.292 3 HA3 GLY 1 HA3 GLY 1 11.138 -0.063 -10.066 4 H ALA 2 H ALA 2 13.661 -0.933 -10.595 5 HA ALA 2 HA ALA 2 14.664 0.415 -12.980 6 HB1 ALA 2 HB1 ALA 2 15.456 -2.228 -11.658 7 HB2 ALA 2 HB2 ALA 2 16.344 -1.405 -12.954 8 HB3 ALA 2 HB3 ALA 2 16.209 -0.638 -11.360 9 H MET 3 H MET 3 12.124 -1.713 -12.432 10 HA MET 3 HA MET 3 12.448 -3.420 -14.738 11 HB2 MET 3 HB2 MET 3 10.230 -4.194 -14.276 12 HB3 MET 3 HB3 MET 3 11.135 -4.083 -12.761 13 HG2 MET 3 HG2 MET 3 10.013 -1.974 -12.202 14 HG3 MET 3 HG3 MET 3 9.137 -2.009 -13.744 15 HE1 MET 3 HE1 MET 3 6.485 -4.753 -13.378 16 HE2 MET 3 HE2 MET 3 7.123 -3.383 -14.316 17 HE3 MET 3 HE3 MET 3 8.031 -4.901 -14.253 18 H ALA 4 H ALA 4 10.979 -3.487 -16.561 19 HA ALA 4 HA ALA 4 10.836 -1.006 -17.920 20 HB1 ALA 4 HB1 ALA 4 9.667 -2.333 -19.708 21 HB2 ALA 4 HB2 ALA 4 11.060 -3.237 -19.060 22 HB3 ALA 4 HB3 ALA 4 9.416 -3.665 -18.546 23 H LYS 5 H LYS 5 8.954 -0.022 -18.887 24 HA LYS 5 HA LYS 5 6.928 0.716 -17.018 25 HB2 LYS 5 HB2 LYS 5 7.680 2.056 -19.031 26 HB3 LYS 5 HB3 LYS 5 6.824 0.906 -20.064 27 HG2 LYS 5 HG2 LYS 5 4.689 1.534 -18.817 28 HG3 LYS 5 HG3 LYS 5 5.616 2.793 -17.989 29 HD2 LYS 5 HD2 LYS 5 4.586 3.923 -19.794 30 HD3 LYS 5 HD3 LYS 5 6.234 3.644 -20.358 31 HE2 LYS 5 HE2 LYS 5 4.827 3.115 -22.217 32 HE3 LYS 5 HE3 LYS 5 5.344 1.553 -21.571 33 HZ1 LYS 5 HZ1 LYS 5 3.176 1.295 -20.532 34 HZ2 LYS 5 HZ2 LYS 5 2.948 1.675 -22.123 35 HZ3 LYS 5 HZ3 LYS 5 2.711 2.825 -20.980 36 H ALA 6 H ALA 6 4.841 -0.021 -16.686 37 HA ALA 6 HA ALA 6 4.173 -2.648 -17.501 38 HB1 ALA 6 HB1 ALA 6 2.019 -2.223 -16.396 39 HB2 ALA 6 HB2 ALA 6 3.312 -1.459 -15.416 40 HB3 ALA 6 HB3 ALA 6 2.283 -0.467 -16.482 41 HA PRO 7 HA PRO 7 2.422 -2.023 -21.570 42 HB2 PRO 7 HB2 PRO 7 0.286 -3.882 -20.691 43 HB3 PRO 7 HB3 PRO 7 1.315 -4.021 -22.164 44 HG2 PRO 7 HG2 PRO 7 1.637 -5.547 -20.111 45 HG3 PRO 7 HG3 PRO 7 3.066 -4.749 -20.843 46 HD2 PRO 7 HD2 PRO 7 1.614 -4.003 -18.263 47 HD3 PRO 7 HD3 PRO 7 3.370 -4.198 -18.613 48 H GLU 8 H GLU 8 0.674 -0.967 -22.548 49 HA GLU 8 HA GLU 8 -1.267 0.475 -20.776 50 HB2 GLU 8 HB2 GLU 8 -1.219 1.976 -22.596 51 HB3 GLU 8 HB3 GLU 8 0.272 1.845 -22.058 52 HG2 GLU 8 HG2 GLU 8 0.657 0.391 -24.095 53 HG3 GLU 8 HG3 GLU 8 -1.047 0.694 -24.530 54 H SER 9 H SER 9 -3.445 0.715 -21.791 55 HA SER 9 HA SER 9 -4.311 -1.958 -22.540 56 HB2 SER 9 HB2 SER 9 -6.432 -1.314 -22.051 57 HB3 SER 9 HB3 SER 9 -5.559 -0.111 -21.083 58 HG SER 9 HG SER 9 -6.103 1.436 -22.471 59 H ALA 10 H ALA 10 -5.956 -2.232 -24.352 60 HA ALA 10 HA ALA 10 -4.745 -1.663 -26.857 61 HB1 ALA 10 HB1 ALA 10 -6.225 -3.589 -26.503 62 HB2 ALA 10 HB2 ALA 10 -7.603 -2.522 -26.139 63 HB3 ALA 10 HB3 ALA 10 -6.904 -2.562 -27.784 64 H THR 11 H THR 11 -6.885 0.239 -24.842 65 HA THR 11 HA THR 11 -7.994 1.791 -27.032 66 HB THR 11 HB THR 11 -7.890 2.544 -24.079 67 HG1 THR 11 HG1 THR 11 -10.063 1.185 -25.205 68 HG21 THR 11 HG21 THR 11 -8.776 4.270 -25.562 69 HG22 THR 11 HG22 THR 11 -10.081 3.550 -24.591 70 HG23 THR 11 HG23 THR 11 -9.887 3.092 -26.300 71 H GLU 12 H GLU 12 -5.338 2.271 -24.628 72 HA GLU 12 HA GLU 12 -4.859 5.018 -25.175 73 HB2 GLU 12 HB2 GLU 12 -3.050 2.752 -24.287 74 HB3 GLU 12 HB3 GLU 12 -2.405 4.358 -24.589 75 HG2 GLU 12 HG2 GLU 12 -2.763 4.430 -22.329 76 HG3 GLU 12 HG3 GLU 12 -4.227 5.156 -22.929 77 H LYS 13 H LYS 13 -3.495 2.142 -26.787 78 HA LYS 13 HA LYS 13 -1.639 3.574 -28.356 79 HB2 LYS 13 HB2 LYS 13 -1.511 1.574 -29.753 80 HB3 LYS 13 HB3 LYS 13 -1.466 1.161 -28.040 81 HG2 LYS 13 HG2 LYS 13 -3.740 0.399 -28.106 82 HG3 LYS 13 HG3 LYS 13 -3.980 1.007 -29.731 83 HD2 LYS 13 HD2 LYS 13 -2.192 -0.566 -30.521 84 HD3 LYS 13 HD3 LYS 13 -2.237 -1.311 -28.915 85 HE2 LYS 13 HE2 LYS 13 -4.659 -1.777 -29.202 86 HE3 LYS 13 HE3 LYS 13 -4.642 -0.932 -30.766 87 HZ1 LYS 13 HZ1 LYS 13 -4.542 -3.334 -31.056 88 HZ2 LYS 13 HZ2 LYS 13 -3.152 -3.426 -30.170 89 HZ3 LYS 13 HZ3 LYS 13 -3.160 -2.628 -31.622 90 H VAL 14 H VAL 14 -5.082 2.966 -28.925 91 HA VAL 14 HA VAL 14 -4.963 3.705 -31.743 92 HB VAL 14 HB VAL 14 -7.328 3.702 -29.804 93 HG11 VAL 14 HG11 VAL 14 -7.242 3.814 -32.860 94 HG12 VAL 14 HG12 VAL 14 -8.711 3.591 -31.857 95 HG13 VAL 14 HG13 VAL 14 -7.788 5.094 -31.748 96 HG21 VAL 14 HG21 VAL 14 -7.890 1.513 -30.860 97 HG22 VAL 14 HG22 VAL 14 -6.378 1.568 -31.806 98 HG23 VAL 14 HG23 VAL 14 -6.333 1.455 -30.034 99 H LEU 15 H LEU 15 -5.840 5.320 -28.681 100 HA LEU 15 HA LEU 15 -6.506 7.818 -29.873 101 HB2 LEU 15 HB2 LEU 15 -5.575 7.035 -27.093 102 HB3 LEU 15 HB3 LEU 15 -6.140 8.641 -27.488 103 HG LEU 15 HG LEU 15 -7.878 6.187 -27.942 104 HD11 LEU 15 HD11 LEU 15 -7.437 7.772 -25.401 105 HD12 LEU 15 HD12 LEU 15 -7.026 6.062 -25.682 106 HD13 LEU 15 HD13 LEU 15 -8.730 6.585 -25.652 107 HD21 LEU 15 HD21 LEU 15 -8.485 9.085 -27.340 108 HD22 LEU 15 HD22 LEU 15 -9.704 7.795 -27.548 109 HD23 LEU 15 HD23 LEU 15 -8.660 8.288 -28.911 110 H CYS 16 H CYS 16 -3.500 6.553 -28.492 111 HA CYS 16 HA CYS 16 -2.028 8.990 -28.560 112 HB2 CYS 16 HB2 CYS 16 -1.425 6.738 -27.501 113 HB3 CYS 16 HB3 CYS 16 -0.924 6.262 -29.106 114 HG CYS 16 HG CYS 16 1.140 6.778 -27.519 115 H ALA 17 H ALA 17 -2.400 6.309 -30.986 116 HA ALA 17 HA ALA 17 -0.663 7.461 -32.999 117 HB1 ALA 17 HB1 ALA 17 -1.746 5.956 -34.492 118 HB2 ALA 17 HB2 ALA 17 -1.389 5.139 -32.957 119 HB3 ALA 17 HB3 ALA 17 -3.048 5.644 -33.312 120 H LEU 18 H LEU 18 -4.220 7.743 -32.385 121 HA LEU 18 HA LEU 18 -4.789 9.298 -34.696 122 HB2 LEU 18 HB2 LEU 18 -6.124 8.506 -32.202 123 HB3 LEU 18 HB3 LEU 18 -6.531 10.148 -32.662 124 HG LEU 18 HG LEU 18 -7.444 9.368 -34.818 125 HD11 LEU 18 HD11 LEU 18 -7.563 7.004 -35.405 126 HD12 LEU 18 HD12 LEU 18 -6.733 6.538 -33.895 127 HD13 LEU 18 HD13 LEU 18 -5.856 7.458 -35.149 128 HD21 LEU 18 HD21 LEU 18 -8.916 9.411 -32.840 129 HD22 LEU 18 HD22 LEU 18 -8.396 7.741 -32.411 130 HD23 LEU 18 HD23 LEU 18 -9.355 8.040 -33.930 131 H TYR 19 H TYR 19 -3.524 10.287 -31.519 132 HA TYR 19 HA TYR 19 -4.013 13.107 -31.901 133 HB2 TYR 19 HB2 TYR 19 -2.110 11.423 -30.282 134 HB3 TYR 19 HB3 TYR 19 -1.724 13.109 -30.497 135 HD1 TYR 19 HD1 TYR 19 -5.098 11.531 -29.840 136 HD2 TYR 19 HD2 TYR 19 -1.961 14.178 -28.457 137 HE1 TYR 19 HE1 TYR 19 -6.479 12.179 -27.865 138 HE2 TYR 19 HE2 TYR 19 -3.366 14.819 -26.529 139 HH TYR 19 HH TYR 19 -5.375 14.530 -25.415 140 H ALA 20 H ALA 20 -1.126 11.072 -32.606 141 HA ALA 20 HA ALA 20 0.410 13.212 -33.637 142 HB1 ALA 20 HB1 ALA 20 1.410 11.030 -33.069 143 HB2 ALA 20 HB2 ALA 20 0.514 10.264 -34.391 144 HB3 ALA 20 HB3 ALA 20 1.779 11.459 -34.756 145 H GLU 21 H GLU 21 -1.688 10.922 -35.325 146 HA GLU 21 HA GLU 21 -1.092 11.841 -37.980 147 HB2 GLU 21 HB2 GLU 21 -3.565 10.499 -36.853 148 HB3 GLU 21 HB3 GLU 21 -3.272 10.766 -38.596 149 HG2 GLU 21 HG2 GLU 21 -1.577 9.072 -36.712 150 HG3 GLU 21 HG3 GLU 21 -2.734 8.466 -37.907 151 H ILE 22 H ILE 22 -3.541 12.961 -35.635 152 HA ILE 22 HA ILE 22 -4.756 14.733 -37.620 153 HB ILE 22 HB ILE 22 -5.227 14.208 -34.651 154 HG12 ILE 22 HG12 ILE 22 -6.884 13.698 -37.154 155 HG13 ILE 22 HG13 ILE 22 -5.882 12.478 -36.326 156 HG21 ILE 22 HG21 ILE 22 -5.736 16.591 -35.068 157 HG22 ILE 22 HG22 ILE 22 -6.782 16.153 -36.437 158 HG23 ILE 22 HG23 ILE 22 -7.220 15.683 -34.779 159 HD11 ILE 22 HD11 ILE 22 -8.054 12.070 -35.616 160 HD12 ILE 22 HD12 ILE 22 -7.276 12.931 -34.270 161 HD13 ILE 22 HD13 ILE 22 -8.378 13.806 -35.352 162 H LEU 23 H LEU 23 -2.554 15.052 -34.862 163 HA LEU 23 HA LEU 23 -2.525 17.971 -34.989 164 HB2 LEU 23 HB2 LEU 23 -0.723 15.950 -33.640 165 HB3 LEU 23 HB3 LEU 23 -0.529 17.699 -33.459 166 HG LEU 23 HG LEU 23 -3.131 16.300 -32.727 167 HD11 LEU 23 HD11 LEU 23 -1.362 15.241 -31.481 168 HD12 LEU 23 HD12 LEU 23 -2.332 16.272 -30.408 169 HD13 LEU 23 HD13 LEU 23 -0.728 16.800 -30.977 170 HD21 LEU 23 HD21 LEU 23 -3.349 18.252 -31.223 171 HD22 LEU 23 HD22 LEU 23 -3.293 18.703 -32.942 172 HD23 LEU 23 HD23 LEU 23 -1.856 18.924 -31.908 173 H GLY 24 H GLY 24 -0.806 15.393 -36.608 174 HA2 GLY 24 HA2 GLY 24 0.580 15.595 -38.452 175 HA3 GLY 24 HA3 GLY 24 0.435 17.354 -38.344 176 H VAL 25 H VAL 25 1.478 15.292 -35.679 177 HA VAL 25 HA VAL 25 4.155 16.595 -35.860 178 HB VAL 25 HB VAL 25 4.358 16.139 -33.425 179 HG11 VAL 25 HG11 VAL 25 1.887 17.737 -34.126 180 HG12 VAL 25 HG12 VAL 25 2.886 17.924 -32.666 181 HG13 VAL 25 HG13 VAL 25 3.555 18.322 -34.270 182 HG21 VAL 25 HG21 VAL 25 1.409 15.341 -33.548 183 HG22 VAL 25 HG22 VAL 25 2.743 14.220 -33.231 184 HG23 VAL 25 HG23 VAL 25 2.386 15.518 -32.069 185 H GLU 26 H GLU 26 6.000 15.352 -35.367 186 HA GLU 26 HA GLU 26 6.004 12.871 -36.761 187 HB2 GLU 26 HB2 GLU 26 7.930 14.474 -36.414 188 HB3 GLU 26 HB3 GLU 26 8.021 13.938 -34.742 189 HG2 GLU 26 HG2 GLU 26 8.314 11.552 -35.753 190 HG3 GLU 26 HG3 GLU 26 8.707 12.410 -37.252 191 H ARG 27 H ARG 27 5.988 13.556 -33.273 192 HA ARG 27 HA ARG 27 5.249 10.699 -32.747 193 HB2 ARG 27 HB2 ARG 27 7.724 12.012 -31.715 194 HB3 ARG 27 HB3 ARG 27 6.820 10.922 -30.713 195 HG2 ARG 27 HG2 ARG 27 6.992 9.201 -32.246 196 HG3 ARG 27 HG3 ARG 27 7.717 10.194 -33.502 197 HD2 ARG 27 HD2 ARG 27 9.106 9.799 -30.905 198 HD3 ARG 27 HD3 ARG 27 9.310 8.709 -32.285 199 HE ARG 27 HE ARG 27 9.732 11.356 -33.187 200 HH11 ARG 27 HH11 ARG 27 11.342 9.045 -31.038 201 HH12 ARG 27 HH12 ARG 27 12.902 9.746 -31.350 202 HH21 ARG 27 HH21 ARG 27 11.743 12.160 -33.533 203 HH22 ARG 27 HH22 ARG 27 13.152 11.471 -32.717 204 H VAL 28 H VAL 28 4.383 10.596 -30.462 205 HA VAL 28 HA VAL 28 3.679 13.178 -29.159 206 HB VAL 28 HB VAL 28 1.821 12.801 -30.862 207 HG11 VAL 28 HG11 VAL 28 2.028 10.362 -30.969 208 HG12 VAL 28 HG12 VAL 28 1.295 10.246 -29.340 209 HG13 VAL 28 HG13 VAL 28 0.366 10.922 -30.706 210 HG21 VAL 28 HG21 VAL 28 1.451 13.895 -28.842 211 HG22 VAL 28 HG22 VAL 28 -0.000 13.009 -29.457 212 HG23 VAL 28 HG23 VAL 28 0.947 12.344 -28.097 213 H GLY 29 H GLY 29 3.382 12.843 -26.944 214 HA2 GLY 29 HA2 GLY 29 4.243 10.170 -25.939 215 HA3 GLY 29 HA3 GLY 29 4.083 11.668 -24.986 216 H VAL 30 H VAL 30 3.100 9.280 -23.972 217 HA VAL 30 HA VAL 30 0.249 9.056 -24.493 218 HB VAL 30 HB VAL 30 0.278 7.736 -22.314 219 HG11 VAL 30 HG11 VAL 30 2.145 6.833 -24.535 220 HG12 VAL 30 HG12 VAL 30 1.346 5.780 -23.340 221 HG13 VAL 30 HG13 VAL 30 0.372 6.644 -24.518 222 HG21 VAL 30 HG21 VAL 30 3.300 8.015 -22.556 223 HG22 VAL 30 HG22 VAL 30 2.294 8.804 -21.317 224 HG23 VAL 30 HG23 VAL 30 2.413 7.032 -21.376 225 H ASP 31 H ASP 31 2.269 11.165 -22.777 226 HA ASP 31 HA ASP 31 0.068 12.136 -21.023 227 HB2 ASP 31 HB2 ASP 31 1.878 13.085 -19.674 228 HB3 ASP 31 HB3 ASP 31 2.077 11.374 -19.888 229 H ASP 32 H ASP 32 0.877 12.725 -23.982 230 HA ASP 32 HA ASP 32 1.771 15.444 -23.896 231 HB2 ASP 32 HB2 ASP 32 1.852 13.406 -25.710 232 HB3 ASP 32 HB3 ASP 32 0.622 14.433 -26.421 233 H ALA 33 H ALA 33 0.460 17.226 -23.690 234 HA ALA 33 HA ALA 33 -2.427 16.813 -23.737 235 HB1 ALA 33 HB1 ALA 33 -2.527 19.243 -23.250 236 HB2 ALA 33 HB2 ALA 33 -1.404 18.414 -22.152 237 HB3 ALA 33 HB3 ALA 33 -0.787 19.362 -23.516 238 H PHE 34 H PHE 34 -3.785 17.130 -25.394 239 HA PHE 34 HA PHE 34 -2.922 17.217 -28.047 240 HB2 PHE 34 HB2 PHE 34 -5.180 16.547 -27.173 241 HB3 PHE 34 HB3 PHE 34 -5.575 18.246 -26.959 242 HD1 PHE 34 HD1 PHE 34 -4.838 15.590 -29.453 243 HD2 PHE 34 HD2 PHE 34 -6.209 19.633 -28.863 244 HE1 PHE 34 HE1 PHE 34 -5.667 15.652 -31.807 245 HE2 PHE 34 HE2 PHE 34 -7.049 19.695 -31.219 246 HZ PHE 34 HZ PHE 34 -6.781 17.686 -32.685 247 H HIS 35 H HIS 35 -3.750 19.945 -25.928 248 HA HIS 35 HA HIS 35 -3.597 21.862 -28.114 249 HB2 HIS 35 HB2 HIS 35 -3.968 23.547 -26.368 250 HB3 HIS 35 HB3 HIS 35 -5.165 22.254 -26.334 251 HD1 HIS 35 HD1 HIS 35 -5.568 21.224 -24.065 252 HD2 HIS 35 HD2 HIS 35 -1.880 23.122 -24.296 253 HE1 HIS 35 HE1 HIS 35 -4.564 21.169 -21.745 254 H ASP 36 H ASP 36 -1.170 20.380 -26.124 255 HA ASP 36 HA ASP 36 0.540 22.737 -25.953 256 HB2 ASP 36 HB2 ASP 36 0.572 20.608 -24.488 257 HB3 ASP 36 HB3 ASP 36 1.471 19.867 -25.816 258 H LEU 37 H LEU 37 0.095 20.039 -28.167 259 HA LEU 37 HA LEU 37 2.298 20.794 -29.921 260 HB2 LEU 37 HB2 LEU 37 -0.083 18.989 -30.400 261 HB3 LEU 37 HB3 LEU 37 1.266 19.183 -31.485 262 HG LEU 37 HG LEU 37 1.693 17.173 -30.576 263 HD11 LEU 37 HD11 LEU 37 3.181 18.937 -28.583 264 HD12 LEU 37 HD12 LEU 37 3.703 18.588 -30.264 265 HD13 LEU 37 HD13 LEU 37 3.598 17.285 -29.064 266 HD21 LEU 37 HD21 LEU 37 -0.139 17.374 -28.848 267 HD22 LEU 37 HD22 LEU 37 1.098 18.024 -27.742 268 HD23 LEU 37 HD23 LEU 37 1.269 16.396 -28.413 269 H GLY 38 H GLY 38 -0.167 22.608 -29.137 270 HA2 GLY 38 HA2 GLY 38 -1.021 24.462 -30.255 271 HA3 GLY 38 HA3 GLY 38 -0.284 23.874 -31.753 272 H GLY 39 H GLY 39 -2.235 21.557 -30.139 273 HA2 GLY 39 HA2 GLY 39 -4.034 21.338 -32.332 274 HA3 GLY 39 HA3 GLY 39 -4.205 20.552 -30.788 275 H SER 40 H SER 40 -5.423 22.829 -32.905 276 HA SER 40 HA SER 40 -6.609 24.730 -31.188 277 HB2 SER 40 HB2 SER 40 -6.383 25.104 -33.614 278 HB3 SER 40 HB3 SER 40 -7.399 23.690 -33.938 279 HG SER 40 HG SER 40 -8.209 26.148 -33.719 280 H SER 41 H SER 41 -8.804 24.958 -30.473 281 HA SER 41 HA SER 41 -10.054 22.567 -29.517 282 HB2 SER 41 HB2 SER 41 -11.567 25.131 -30.006 283 HB3 SER 41 HB3 SER 41 -11.673 24.012 -28.619 284 HG SER 41 HG SER 41 -9.577 24.768 -28.007 285 H ALA 42 H ALA 42 -10.300 24.354 -32.533 286 HA ALA 42 HA ALA 42 -12.733 23.059 -33.451 287 HB1 ALA 42 HB1 ALA 42 -11.892 25.209 -34.342 288 HB2 ALA 42 HB2 ALA 42 -10.478 24.343 -35.015 289 HB3 ALA 42 HB3 ALA 42 -12.117 23.972 -35.621 290 H LEU 43 H LEU 43 -9.234 22.394 -33.663 291 HA LEU 43 HA LEU 43 -9.438 20.217 -35.515 292 HB2 LEU 43 HB2 LEU 43 -7.355 21.539 -34.997 293 HB3 LEU 43 HB3 LEU 43 -7.318 20.775 -33.419 294 HG LEU 43 HG LEU 43 -6.971 18.577 -34.471 295 HD11 LEU 43 HD11 LEU 43 -7.993 18.887 -36.618 296 HD12 LEU 43 HD12 LEU 43 -6.259 18.488 -36.840 297 HD13 LEU 43 HD13 LEU 43 -6.815 20.182 -37.033 298 HD21 LEU 43 HD21 LEU 43 -4.643 18.974 -35.121 299 HD22 LEU 43 HD22 LEU 43 -5.097 19.952 -33.691 300 HD23 LEU 43 HD23 LEU 43 -4.987 20.736 -35.296 301 H ALA 44 H ALA 44 -9.753 20.500 -32.012 302 HA ALA 44 HA ALA 44 -9.525 17.766 -31.309 303 HB1 ALA 44 HB1 ALA 44 -11.312 19.903 -30.077 304 HB2 ALA 44 HB2 ALA 44 -10.821 18.379 -29.325 305 HB3 ALA 44 HB3 ALA 44 -9.590 19.621 -29.667 306 H MET 45 H MET 45 -12.172 19.505 -32.842 307 HA MET 45 HA MET 45 -14.204 17.549 -32.363 308 HB2 MET 45 HB2 MET 45 -13.919 19.454 -34.741 309 HB3 MET 45 HB3 MET 45 -15.396 18.569 -34.283 310 HG2 MET 45 HG2 MET 45 -15.460 19.775 -32.115 311 HG3 MET 45 HG3 MET 45 -14.016 20.686 -32.539 312 HE1 MET 45 HE1 MET 45 -16.670 22.118 -31.604 313 HE2 MET 45 HE2 MET 45 -15.245 23.034 -32.161 314 HE3 MET 45 HE3 MET 45 -16.855 23.408 -32.819 315 H ARG 46 H ARG 46 -11.552 17.753 -34.757 316 HA ARG 46 HA ARG 46 -12.540 15.654 -36.506 317 HB2 ARG 46 HB2 ARG 46 -9.734 16.553 -35.961 318 HB3 ARG 46 HB3 ARG 46 -10.199 15.409 -37.206 319 HG2 ARG 46 HG2 ARG 46 -11.719 17.333 -38.089 320 HG3 ARG 46 HG3 ARG 46 -10.677 18.380 -37.067 321 HD2 ARG 46 HD2 ARG 46 -8.787 16.908 -38.080 322 HD3 ARG 46 HD3 ARG 46 -9.936 16.570 -39.375 323 HE ARG 46 HE ARG 46 -9.955 19.314 -39.169 324 HH11 ARG 46 HH11 ARG 46 -7.349 16.968 -39.671 325 HH12 ARG 46 HH12 ARG 46 -6.366 18.108 -40.515 326 HH21 ARG 46 HH21 ARG 46 -8.653 20.690 -40.346 327 HH22 ARG 46 HH22 ARG 46 -7.090 20.167 -40.915 328 H LEU 47 H LEU 47 -10.519 15.769 -33.601 329 HA LEU 47 HA LEU 47 -9.725 13.034 -33.628 330 HB2 LEU 47 HB2 LEU 47 -8.627 14.761 -32.295 331 HB3 LEU 47 HB3 LEU 47 -10.041 14.980 -31.383 332 HG LEU 47 HG LEU 47 -9.789 12.753 -30.402 333 HD11 LEU 47 HD11 LEU 47 -8.598 11.631 -32.248 334 HD12 LEU 47 HD12 LEU 47 -7.699 11.512 -30.705 335 HD13 LEU 47 HD13 LEU 47 -7.185 12.684 -31.946 336 HD21 LEU 47 HD21 LEU 47 -8.025 13.323 -28.975 337 HD22 LEU 47 HD22 LEU 47 -8.768 14.871 -29.501 338 HD23 LEU 47 HD23 LEU 47 -7.220 14.287 -30.226 339 H ILE 48 H ILE 48 -12.345 14.752 -32.016 340 HA ILE 48 HA ILE 48 -13.490 12.465 -30.720 341 HB ILE 48 HB ILE 48 -14.772 15.059 -31.706 342 HG12 ILE 48 HG12 ILE 48 -14.145 14.225 -28.854 343 HG13 ILE 48 HG13 ILE 48 -12.930 15.007 -29.858 344 HG21 ILE 48 HG21 ILE 48 -15.954 12.839 -29.974 345 HG22 ILE 48 HG22 ILE 48 -16.638 14.460 -30.070 346 HG23 ILE 48 HG23 ILE 48 -16.582 13.442 -31.512 347 HD11 ILE 48 HD11 ILE 48 -14.437 16.968 -30.151 348 HD12 ILE 48 HD12 ILE 48 -15.599 16.191 -29.034 349 HD13 ILE 48 HD13 ILE 48 -13.979 16.665 -28.443 350 H ALA 49 H ALA 49 -14.013 13.865 -34.000 351 HA ALA 49 HA ALA 49 -16.094 12.016 -34.681 352 HB1 ALA 49 HB1 ALA 49 -15.656 12.718 -37.000 353 HB2 ALA 49 HB2 ALA 49 -15.659 14.115 -35.909 354 HB3 ALA 49 HB3 ALA 49 -14.120 13.476 -36.489 355 H ARG 50 H ARG 50 -12.491 11.833 -35.186 356 HA ARG 50 HA ARG 50 -12.616 9.417 -36.742 357 HB2 ARG 50 HB2 ARG 50 -10.494 10.898 -35.211 358 HB3 ARG 50 HB3 ARG 50 -10.276 9.252 -35.660 359 HG2 ARG 50 HG2 ARG 50 -11.037 11.350 -37.608 360 HG3 ARG 50 HG3 ARG 50 -9.366 10.947 -37.252 361 HD2 ARG 50 HD2 ARG 50 -10.821 8.506 -37.756 362 HD3 ARG 50 HD3 ARG 50 -11.178 9.646 -39.052 363 HE ARG 50 HE ARG 50 -8.397 9.733 -38.726 364 HH11 ARG 50 HH11 ARG 50 -10.742 7.207 -39.558 365 HH12 ARG 50 HH12 ARG 50 -9.578 6.306 -40.495 366 HH21 ARG 50 HH21 ARG 50 -6.976 8.523 -39.963 367 HH22 ARG 50 HH22 ARG 50 -7.522 7.040 -40.724 368 H ILE 51 H ILE 51 -12.506 10.063 -33.213 369 HA ILE 51 HA ILE 51 -11.896 7.399 -32.271 370 HB ILE 51 HB ILE 51 -13.384 9.734 -31.056 371 HG12 ILE 51 HG12 ILE 51 -10.785 8.320 -30.243 372 HG13 ILE 51 HG13 ILE 51 -10.795 9.652 -31.396 373 HG21 ILE 51 HG21 ILE 51 -13.025 6.967 -29.997 374 HG22 ILE 51 HG22 ILE 51 -13.254 8.362 -28.940 375 HG23 ILE 51 HG23 ILE 51 -14.512 7.953 -30.112 376 HD11 ILE 51 HD11 ILE 51 -10.290 10.578 -29.215 377 HD12 ILE 51 HD12 ILE 51 -11.950 11.066 -29.603 378 HD13 ILE 51 HD13 ILE 51 -11.648 9.730 -28.467 379 H ARG 52 H ARG 52 -14.941 8.798 -33.437 380 HA ARG 52 HA ARG 52 -16.566 6.652 -32.466 381 HB2 ARG 52 HB2 ARG 52 -17.006 8.320 -34.888 382 HB3 ARG 52 HB3 ARG 52 -18.180 7.318 -34.034 383 HG2 ARG 52 HG2 ARG 52 -17.966 8.710 -32.091 384 HG3 ARG 52 HG3 ARG 52 -16.676 9.644 -32.933 385 HD2 ARG 52 HD2 ARG 52 -18.848 10.874 -33.205 386 HD3 ARG 52 HD3 ARG 52 -18.325 10.128 -34.662 387 HE ARG 52 HE ARG 52 -19.946 8.233 -33.593 388 HH11 ARG 52 HH11 ARG 52 -20.483 11.754 -33.456 389 HH12 ARG 52 HH12 ARG 52 -22.209 11.574 -33.289 390 HH21 ARG 52 HH21 ARG 52 -22.214 8.130 -33.384 391 HH22 ARG 52 HH22 ARG 52 -23.142 9.611 -33.246 392 H GLU 53 H GLU 53 -14.568 6.944 -35.301 393 HA GLU 53 HA GLU 53 -15.814 4.684 -36.682 394 HB2 GLU 53 HB2 GLU 53 -13.148 6.040 -37.221 395 HB3 GLU 53 HB3 GLU 53 -14.108 5.098 -38.337 396 HG2 GLU 53 HG2 GLU 53 -14.744 7.870 -37.258 397 HG3 GLU 53 HG3 GLU 53 -14.251 7.453 -38.850 398 H GLU 54 H GLU 54 -12.913 5.523 -34.737 399 HA GLU 54 HA GLU 54 -11.651 2.973 -35.263 400 HB2 GLU 54 HB2 GLU 54 -11.031 5.207 -33.366 401 HB3 GLU 54 HB3 GLU 54 -9.977 3.827 -33.613 402 HG2 GLU 54 HG2 GLU 54 -10.828 5.624 -35.911 403 HG3 GLU 54 HG3 GLU 54 -9.444 5.994 -34.881 404 H LEU 55 H LEU 55 -13.333 4.383 -32.456 405 HA LEU 55 HA LEU 55 -12.905 1.814 -30.966 406 HB2 LEU 55 HB2 LEU 55 -13.576 4.590 -29.970 407 HB3 LEU 55 HB3 LEU 55 -13.281 3.177 -28.962 408 HG LEU 55 HG LEU 55 -11.205 4.615 -30.640 409 HD11 LEU 55 HD11 LEU 55 -11.474 4.385 -27.621 410 HD12 LEU 55 HD12 LEU 55 -11.898 5.833 -28.605 411 HD13 LEU 55 HD13 LEU 55 -10.182 5.277 -28.513 412 HD21 LEU 55 HD21 LEU 55 -10.597 2.289 -30.553 413 HD22 LEU 55 HD22 LEU 55 -10.958 2.181 -28.826 414 HD23 LEU 55 HD23 LEU 55 -9.555 3.146 -29.386 415 H GLY 56 H GLY 56 -15.151 3.465 -32.735 416 HA2 GLY 56 HA2 GLY 56 -17.439 3.009 -32.998 417 HA3 GLY 56 HA3 GLY 56 -17.265 1.674 -31.844 418 H VAL 57 H VAL 57 -16.374 4.923 -30.807 419 HA VAL 57 HA VAL 57 -18.927 5.069 -29.306 420 HB VAL 57 HB VAL 57 -17.261 3.873 -27.918 421 HG11 VAL 57 HG11 VAL 57 -15.280 4.936 -27.030 422 HG12 VAL 57 HG12 VAL 57 -15.228 5.013 -28.786 423 HG13 VAL 57 HG13 VAL 57 -15.667 6.460 -27.864 424 HG21 VAL 57 HG21 VAL 57 -17.509 5.111 -25.876 425 HG22 VAL 57 HG22 VAL 57 -17.879 6.597 -26.808 426 HG23 VAL 57 HG23 VAL 57 -19.022 5.213 -26.860 427 H ASP 58 H ASP 58 -19.617 7.090 -28.714 428 HA ASP 58 HA ASP 58 -18.405 9.356 -30.139 429 HB2 ASP 58 HB2 ASP 58 -20.248 10.652 -29.199 430 HB3 ASP 58 HB3 ASP 58 -20.865 9.176 -29.945 431 H LEU 59 H LEU 59 -16.651 10.402 -29.310 432 HA LEU 59 HA LEU 59 -15.930 9.993 -26.543 433 HB2 LEU 59 HB2 LEU 59 -14.392 10.383 -28.567 434 HB3 LEU 59 HB3 LEU 59 -14.738 12.081 -28.355 435 HG LEU 59 HG LEU 59 -12.580 11.361 -27.392 436 HD11 LEU 59 HD11 LEU 59 -14.285 12.188 -25.116 437 HD12 LEU 59 HD12 LEU 59 -13.866 13.301 -26.431 438 HD13 LEU 59 HD13 LEU 59 -12.591 12.550 -25.430 439 HD21 LEU 59 HD21 LEU 59 -13.364 9.086 -26.707 440 HD22 LEU 59 HD22 LEU 59 -14.172 9.822 -25.317 441 HD23 LEU 59 HD23 LEU 59 -12.405 9.941 -25.481 442 HA PRO 60 HA PRO 60 -18.581 13.401 -25.252 443 HB2 PRO 60 HB2 PRO 60 -17.123 13.058 -22.647 444 HB3 PRO 60 HB3 PRO 60 -18.881 13.014 -22.963 445 HG2 PRO 60 HG2 PRO 60 -17.564 10.765 -22.382 446 HG3 PRO 60 HG3 PRO 60 -18.827 10.793 -23.628 447 HD2 PRO 60 HD2 PRO 60 -15.826 10.850 -24.019 448 HD3 PRO 60 HD3 PRO 60 -17.094 9.872 -24.835 449 H ILE 61 H ILE 61 -17.964 15.608 -25.575 450 HA ILE 61 HA ILE 61 -15.209 16.235 -25.782 451 HB ILE 61 HB ILE 61 -17.178 17.399 -26.896 452 HG12 ILE 61 HG12 ILE 61 -15.168 19.285 -25.689 453 HG13 ILE 61 HG13 ILE 61 -14.690 18.045 -26.834 454 HG21 ILE 61 HG21 ILE 61 -18.161 19.340 -25.814 455 HG22 ILE 61 HG22 ILE 61 -18.434 17.920 -24.790 456 HG23 ILE 61 HG23 ILE 61 -17.164 19.091 -24.354 457 HD11 ILE 61 HD11 ILE 61 -16.570 20.365 -27.361 458 HD12 ILE 61 HD12 ILE 61 -14.951 20.089 -28.063 459 HD13 ILE 61 HD13 ILE 61 -16.296 19.013 -28.492 460 H ARG 62 H ARG 62 -17.279 16.232 -22.970 461 HA ARG 62 HA ARG 62 -15.628 17.858 -21.283 462 HB2 ARG 62 HB2 ARG 62 -17.986 17.179 -20.771 463 HB3 ARG 62 HB3 ARG 62 -17.407 15.521 -20.521 464 HG2 ARG 62 HG2 ARG 62 -17.608 16.386 -18.360 465 HG3 ARG 62 HG3 ARG 62 -15.878 16.492 -18.690 466 HD2 ARG 62 HD2 ARG 62 -16.419 18.566 -17.682 467 HD3 ARG 62 HD3 ARG 62 -16.349 18.944 -19.409 468 HE ARG 62 HE ARG 62 -19.023 18.293 -18.773 469 HH11 ARG 62 HH11 ARG 62 -16.735 20.838 -17.963 470 HH12 ARG 62 HH12 ARG 62 -17.997 22.017 -17.695 471 HH21 ARG 62 HH21 ARG 62 -20.583 19.842 -18.436 472 HH22 ARG 62 HH22 ARG 62 -20.139 21.456 -17.914 473 H GLN 63 H GLN 63 -15.577 14.397 -22.107 474 HA GLN 63 HA GLN 63 -13.560 13.528 -20.252 475 HB2 GLN 63 HB2 GLN 63 -14.933 12.496 -22.615 476 HB3 GLN 63 HB3 GLN 63 -13.256 11.986 -22.519 477 HG2 GLN 63 HG2 GLN 63 -14.992 10.451 -21.424 478 HG3 GLN 63 HG3 GLN 63 -13.578 10.879 -20.476 479 HE21 GLN 63 HE21 GLN 63 -17.026 11.373 -20.868 480 HE22 GLN 63 HE22 GLN 63 -17.294 12.086 -19.304 481 H LEU 64 H LEU 64 -13.450 14.978 -23.506 482 HA LEU 64 HA LEU 64 -10.611 14.696 -23.680 483 HB2 LEU 64 HB2 LEU 64 -12.425 15.147 -25.538 484 HB3 LEU 64 HB3 LEU 64 -12.162 16.845 -25.132 485 HG LEU 64 HG LEU 64 -9.585 16.021 -25.382 486 HD11 LEU 64 HD11 LEU 64 -9.344 14.533 -27.294 487 HD12 LEU 64 HD12 LEU 64 -11.137 14.429 -27.433 488 HD13 LEU 64 HD13 LEU 64 -10.301 13.716 -26.019 489 HD21 LEU 64 HD21 LEU 64 -9.653 17.032 -27.636 490 HD22 LEU 64 HD22 LEU 64 -10.621 17.974 -26.446 491 HD23 LEU 64 HD23 LEU 64 -11.423 16.880 -27.607 492 H PHE 65 H PHE 65 -12.694 17.511 -22.822 493 HA PHE 65 HA PHE 65 -10.421 19.255 -22.543 494 HB2 PHE 65 HB2 PHE 65 -13.305 19.477 -21.603 495 HB3 PHE 65 HB3 PHE 65 -12.103 20.755 -21.404 496 HD1 PHE 65 HD2 PHE 65 -10.914 19.736 -24.377 497 HD2 PHE 65 HD1 PHE 65 -14.602 21.299 -22.796 498 HE1 PHE 65 HE2 PHE 65 -11.454 20.678 -26.610 499 HE2 PHE 65 HE1 PHE 65 -15.164 22.237 -25.031 500 HZ PHE 65 HZ PHE 65 -13.586 21.943 -26.927 501 H SER 66 H SER 66 -12.094 17.123 -20.237 502 HA SER 66 HA SER 66 -10.963 18.452 -17.910 503 HB2 SER 66 HB2 SER 66 -13.038 16.946 -17.947 504 HB3 SER 66 HB3 SER 66 -11.900 15.619 -18.032 505 HG SER 66 HG SER 66 -10.988 16.454 -16.088 506 H SER 67 H SER 67 -9.873 16.078 -20.161 507 HA SER 67 HA SER 67 -7.252 15.908 -18.750 508 HB2 SER 67 HB2 SER 67 -7.372 13.367 -19.009 509 HB3 SER 67 HB3 SER 67 -8.271 14.074 -17.670 510 HG SER 67 HG SER 67 -9.445 13.508 -20.193 511 HA PRO 68 HA PRO 68 -7.388 16.054 -23.370 512 HB2 PRO 68 HB2 PRO 68 -5.711 18.113 -23.836 513 HB3 PRO 68 HB3 PRO 68 -7.348 18.375 -23.159 514 HG2 PRO 68 HG2 PRO 68 -4.733 18.113 -21.687 515 HG3 PRO 68 HG3 PRO 68 -5.931 19.448 -21.606 516 HD2 PRO 68 HD2 PRO 68 -5.939 17.443 -19.804 517 HD3 PRO 68 HD3 PRO 68 -7.470 18.144 -20.424 518 H THR 69 H THR 69 -5.419 14.328 -21.717 519 HA THR 69 HA THR 69 -3.157 14.309 -23.677 520 HB THR 69 HB THR 69 -1.981 12.898 -21.976 521 HG1 THR 69 HG1 THR 69 -2.952 12.925 -19.844 522 HG21 THR 69 HG21 THR 69 -1.669 15.371 -21.948 523 HG22 THR 69 HG22 THR 69 -1.497 14.616 -20.358 524 HG23 THR 69 HG23 THR 69 -2.986 15.494 -20.757 525 HA PRO 70 HA PRO 70 -5.149 10.881 -25.181 526 HB2 PRO 70 HB2 PRO 70 -3.317 9.042 -26.031 527 HB3 PRO 70 HB3 PRO 70 -3.530 10.644 -26.844 528 HG2 PRO 70 HG2 PRO 70 -1.576 9.863 -24.777 529 HG3 PRO 70 HG3 PRO 70 -1.302 10.616 -26.365 530 HD2 PRO 70 HD2 PRO 70 -1.391 12.144 -24.148 531 HD3 PRO 70 HD3 PRO 70 -2.219 12.668 -25.658 532 H ALA 71 H ALA 71 -2.691 9.943 -22.719 533 HA ALA 71 HA ALA 71 -4.127 7.477 -22.074 534 HB1 ALA 71 HB1 ALA 71 -2.084 9.068 -20.469 535 HB2 ALA 71 HB2 ALA 71 -2.672 7.419 -20.089 536 HB3 ALA 71 HB3 ALA 71 -1.741 7.715 -21.574 537 H GLY 72 H GLY 72 -4.334 10.867 -21.169 538 HA2 GLY 72 HA2 GLY 72 -5.882 10.551 -18.757 539 HA3 GLY 72 HA3 GLY 72 -5.766 12.008 -19.771 540 H VAL 73 H VAL 73 -6.729 11.331 -22.168 541 HA VAL 73 HA VAL 73 -9.548 11.332 -21.811 542 HB VAL 73 HB VAL 73 -7.819 10.554 -24.286 543 HG11 VAL 73 HG11 VAL 73 -10.026 9.726 -24.667 544 HG12 VAL 73 HG12 VAL 73 -10.776 11.213 -24.041 545 HG13 VAL 73 HG13 VAL 73 -9.867 11.244 -25.575 546 HG21 VAL 73 HG21 VAL 73 -8.334 12.888 -25.022 547 HG22 VAL 73 HG22 VAL 73 -9.175 13.176 -23.473 548 HG23 VAL 73 HG23 VAL 73 -7.451 12.859 -23.493 549 H ALA 74 H ALA 74 -7.166 8.701 -22.404 550 HA ALA 74 HA ALA 74 -9.117 6.669 -22.987 551 HB1 ALA 74 HB1 ALA 74 -6.407 6.191 -21.629 552 HB2 ALA 74 HB2 ALA 74 -7.402 5.092 -22.612 553 HB3 ALA 74 HB3 ALA 74 -6.662 6.484 -23.377 554 H ARG 75 H ARG 75 -7.630 7.426 -19.809 555 HA ARG 75 HA ARG 75 -9.268 5.411 -18.528 556 HB2 ARG 75 HB2 ARG 75 -8.487 6.406 -16.435 557 HB3 ARG 75 HB3 ARG 75 -7.180 6.027 -17.546 558 HG2 ARG 75 HG2 ARG 75 -6.771 8.195 -18.033 559 HG3 ARG 75 HG3 ARG 75 -8.182 8.854 -17.326 560 HD2 ARG 75 HD2 ARG 75 -7.298 8.181 -15.086 561 HD3 ARG 75 HD3 ARG 75 -5.930 7.378 -15.904 562 HE ARG 75 HE ARG 75 -6.274 10.238 -15.380 563 HH11 ARG 75 HH11 ARG 75 -4.507 7.905 -17.341 564 HH12 ARG 75 HH12 ARG 75 -3.194 8.999 -17.648 565 HH21 ARG 75 HH21 ARG 75 -4.579 11.592 -15.803 566 HH22 ARG 75 HH22 ARG 75 -3.254 11.042 -16.797 567 H ALA 76 H ALA 76 -9.638 8.839 -19.156 568 HA ALA 76 HA ALA 76 -11.891 9.189 -17.393 569 HB1 ALA 76 HB1 ALA 76 -12.269 11.299 -18.633 570 HB2 ALA 76 HB2 ALA 76 -10.548 11.073 -18.279 571 HB3 ALA 76 HB3 ALA 76 -11.141 10.751 -19.915 572 H LEU 77 H LEU 77 -11.630 8.246 -20.853 573 HA LEU 77 HA LEU 77 -14.533 8.217 -21.108 574 HB2 LEU 77 HB2 LEU 77 -14.229 7.611 -23.325 575 HB3 LEU 77 HB3 LEU 77 -12.906 8.698 -22.943 576 HG LEU 77 HG LEU 77 -11.610 6.403 -22.588 577 HD11 LEU 77 HD11 LEU 77 -13.505 4.875 -22.893 578 HD12 LEU 77 HD12 LEU 77 -12.291 4.652 -24.159 579 HD13 LEU 77 HD13 LEU 77 -13.791 5.569 -24.515 580 HD21 LEU 77 HD21 LEU 77 -12.281 7.345 -25.353 581 HD22 LEU 77 HD22 LEU 77 -10.843 6.401 -24.844 582 HD23 LEU 77 HD23 LEU 77 -11.065 8.046 -24.253 583 H ALA 78 H ALA 78 -12.060 5.872 -20.228 584 HA ALA 78 HA ALA 78 -13.701 3.547 -20.412 585 HB1 ALA 78 HB1 ALA 78 -11.524 4.191 -18.371 586 HB2 ALA 78 HB2 ALA 78 -12.182 2.574 -18.742 587 HB3 ALA 78 HB3 ALA 78 -11.271 3.466 -19.980 588 H ALA 79 H ALA 79 -13.445 6.133 -17.966 589 HA ALA 79 HA ALA 79 -15.167 4.869 -16.025 590 HB1 ALA 79 HB1 ALA 79 -13.517 6.698 -15.500 591 HB2 ALA 79 HB2 ALA 79 -14.534 7.829 -16.413 592 HB3 ALA 79 HB3 ALA 79 -15.178 7.055 -14.954 593 H LYS 80 H LYS 80 -15.881 6.366 -19.068 594 HA LYS 80 HA LYS 80 -18.502 7.407 -18.507 595 HB2 LYS 80 HB2 LYS 80 -17.158 7.668 -20.667 596 HB3 LYS 80 HB3 LYS 80 -17.597 6.000 -21.050 597 HG2 LYS 80 HG2 LYS 80 -20.025 6.721 -20.970 598 HG3 LYS 80 HG3 LYS 80 -19.457 8.413 -20.812 599 HD2 LYS 80 HD2 LYS 80 -18.191 8.135 -22.976 600 HD3 LYS 80 HD3 LYS 80 -18.771 6.466 -23.107 601 HE2 LYS 80 HE2 LYS 80 -21.111 7.292 -23.224 602 HE3 LYS 80 HE3 LYS 80 -20.534 8.965 -23.113 603 HZ1 LYS 80 HZ1 LYS 80 -19.888 7.057 -25.285 604 HZ2 LYS 80 HZ2 LYS 80 -19.345 8.618 -25.208 605 HZ3 LYS 80 HZ3 LYS 80 -20.946 8.310 -25.405 606 H SER 81 H SER 81 -17.248 4.109 -18.978 607 HA SER 81 HA SER 81 -19.777 2.852 -19.389 608 HB2 SER 81 HB2 SER 81 -17.300 1.668 -18.103 609 HB3 SER 81 HB3 SER 81 -18.601 0.803 -18.943 610 HG SER 81 HG SER 81 -16.601 1.285 -20.166 611 H ALA 82 H ALA 82 -18.043 3.807 -16.439 612 HA ALA 82 HA ALA 82 -19.842 2.337 -14.688 613 HB1 ALA 82 HB1 ALA 82 -17.906 4.622 -14.095 614 HB2 ALA 82 HB2 ALA 82 -18.695 3.614 -12.877 615 HB3 ALA 82 HB3 ALA 82 -17.525 2.893 -13.999 616 H SER 83 H SER 83 -19.803 5.419 -16.285 617 HA SER 83 HA SER 83 -21.696 6.747 -14.560 618 HB2 SER 83 HB2 SER 83 -20.896 7.369 -17.437 619 HB3 SER 83 HB3 SER 83 -21.660 8.470 -16.279 620 HG SER 83 HG SER 83 -19.146 7.219 -15.810 621 H TRP 84 H TRP 84 -22.166 4.177 -16.609 622 HA TRP 84 HA TRP 84 -24.527 4.910 -18.031 623 HB2 TRP 84 HB2 TRP 84 -23.398 2.870 -18.643 624 HB3 TRP 84 HB3 TRP 84 -23.462 2.269 -16.973 625 HD1 TRP 84 HD1 TRP 84 -25.403 0.655 -16.441 626 HE1 TRP 84 HE1 TRP 84 -27.612 -0.026 -17.486 627 HE3 TRP 84 HE3 TRP 84 -25.426 4.019 -20.315 628 HZ2 TRP 84 HZ2 TRP 84 -29.215 0.764 -19.715 629 HZ3 TRP 84 HZ3 TRP 84 -27.367 3.987 -21.902 630 HH2 TRP 84 HH2 TRP 84 -29.239 2.360 -21.590 631 H SER 85 H SER 85 -24.055 3.628 -14.729 632 HA SER 85 HA SER 85 -26.970 3.631 -14.268 633 HB2 SER 85 HB2 SER 85 -25.546 1.847 -13.304 634 HB3 SER 85 HB3 SER 85 -24.666 3.066 -12.351 635 HG SER 85 HG SER 85 -26.589 3.530 -11.278 636 H HIS 86 H HIS 86 -27.876 5.565 -14.019 637 HA HIS 86 HA HIS 86 -26.376 7.791 -12.888 638 HB2 HIS 86 HB2 HIS 86 -28.522 9.044 -13.150 639 HB3 HIS 86 HB3 HIS 86 -27.947 8.297 -14.657 640 HD1 HIS 86 HD1 HIS 86 -29.395 6.350 -15.663 641 HD2 HIS 86 HD2 HIS 86 -30.928 8.007 -12.148 642 HE1 HIS 86 HE1 HIS 86 -31.774 5.507 -15.428 643 HA PRO 87 HA PRO 87 -27.696 6.980 -8.760 644 HB2 PRO 87 HB2 PRO 87 -27.382 9.370 -7.537 645 HB3 PRO 87 HB3 PRO 87 -25.972 8.485 -8.199 646 HG2 PRO 87 HG2 PRO 87 -27.583 10.694 -9.438 647 HG3 PRO 87 HG3 PRO 87 -25.808 10.597 -9.226 648 HD2 PRO 87 HD2 PRO 87 -27.061 9.908 -11.555 649 HD3 PRO 87 HD3 PRO 87 -25.588 9.058 -10.981 650 H GLN 88 H GLN 88 -29.278 7.904 -7.018 651 HA GLN 88 HA GLN 88 -31.880 8.270 -8.236 652 HB2 GLN 88 HB2 GLN 88 -30.886 8.587 -5.370 653 HB3 GLN 88 HB3 GLN 88 -32.583 8.754 -5.850 654 HG2 GLN 88 HG2 GLN 88 -32.273 6.532 -4.992 655 HG3 GLN 88 HG3 GLN 88 -32.535 6.412 -6.734 656 HE21 GLN 88 HE21 GLN 88 -31.415 4.706 -7.429 657 HE22 GLN 88 HE22 GLN 88 -29.730 4.395 -7.068 658 H PHE 89 H PHE 89 -33.099 10.116 -8.464 659 HA PHE 89 HA PHE 89 -31.588 12.525 -8.842 660 HB2 PHE 89 HB2 PHE 89 -34.589 12.043 -8.918 661 HB3 PHE 89 HB3 PHE 89 -33.772 13.472 -9.549 662 HD1 PHE 89 HD1 PHE 89 -32.230 13.254 -11.525 663 HD2 PHE 89 HD2 PHE 89 -34.722 9.999 -10.209 664 HE1 PHE 89 HE1 PHE 89 -31.916 12.084 -13.728 665 HE2 PHE 89 HE2 PHE 89 -34.410 8.835 -12.388 666 HZ PHE 89 HZ PHE 89 -33.017 9.892 -14.156 667 H GLU 90 H GLU 90 -31.534 14.396 -7.746 668 HA GLU 90 HA GLU 90 -32.674 14.398 -4.994 669 HB2 GLU 90 HB2 GLU 90 -30.557 16.165 -6.289 670 HB3 GLU 90 HB3 GLU 90 -31.057 16.224 -4.595 671 HG2 GLU 90 HG2 GLU 90 -30.288 13.876 -4.314 672 HG3 GLU 90 HG3 GLU 90 -29.685 13.915 -5.981 673 H LYS 91 H LYS 91 -33.369 16.634 -4.225 674 HA LYS 91 HA LYS 91 -34.295 18.589 -6.103 675 HB2 LYS 91 HB2 LYS 91 -36.610 18.318 -6.034 676 HB3 LYS 91 HB3 LYS 91 -36.049 16.665 -6.326 677 HG2 LYS 91 HG2 LYS 91 -36.920 17.819 -3.623 678 HG3 LYS 91 HG3 LYS 91 -37.920 16.787 -4.664 679 HD2 LYS 91 HD2 LYS 91 -36.468 14.897 -4.306 680 HD3 LYS 91 HD3 LYS 91 -35.257 15.899 -3.524 681 HE2 LYS 91 HE2 LYS 91 -36.945 16.499 -1.775 682 HE3 LYS 91 HE3 LYS 91 -37.982 15.211 -2.444 683 HZ1 LYS 91 HZ1 LYS 91 -36.566 14.394 -0.645 684 HZ2 LYS 91 HZ2 LYS 91 -35.206 14.880 -1.444 685 HZ3 LYS 91 HZ3 LYS 91 -36.138 13.667 -2.059 Start of MODEL 13 1 H1 GLY 1 H GLY 1 10.801 5.961 -12.567 2 HA2 GLY 1 HA2 GLY 1 10.628 5.182 -10.360 3 HA3 GLY 1 HA3 GLY 1 9.064 4.493 -10.840 4 H ALA 2 H ALA 2 10.471 3.051 -8.981 5 HA ALA 2 HA ALA 2 12.261 1.153 -10.253 6 HB1 ALA 2 HB1 ALA 2 10.783 1.036 -7.577 7 HB2 ALA 2 HB2 ALA 2 12.106 -0.039 -8.091 8 HB3 ALA 2 HB3 ALA 2 12.420 1.694 -7.840 9 H MET 3 H MET 3 8.804 1.365 -9.621 10 HA MET 3 HA MET 3 8.250 -1.420 -10.185 11 HB2 MET 3 HB2 MET 3 6.347 0.954 -10.277 12 HB3 MET 3 HB3 MET 3 5.927 -0.752 -10.085 13 HG2 MET 3 HG2 MET 3 5.756 -0.034 -7.902 14 HG3 MET 3 HG3 MET 3 7.440 -0.578 -7.922 15 HE1 MET 3 HE1 MET 3 5.343 2.710 -8.922 16 HE2 MET 3 HE2 MET 3 4.997 2.299 -7.229 17 HE3 MET 3 HE3 MET 3 5.895 3.785 -7.614 18 H ALA 4 H ALA 4 7.469 -2.323 -12.073 19 HA ALA 4 HA ALA 4 8.224 -1.041 -14.550 20 HB1 ALA 4 HB1 ALA 4 6.608 -3.583 -14.022 21 HB2 ALA 4 HB2 ALA 4 7.318 -3.103 -15.581 22 HB3 ALA 4 HB3 ALA 4 8.377 -3.493 -14.210 23 H LYS 5 H LYS 5 6.805 -0.550 -16.331 24 HA LYS 5 HA LYS 5 4.230 0.642 -15.503 25 HB2 LYS 5 HB2 LYS 5 5.768 0.542 -18.125 26 HB3 LYS 5 HB3 LYS 5 4.129 1.191 -18.004 27 HG2 LYS 5 HG2 LYS 5 4.873 2.957 -16.494 28 HG3 LYS 5 HG3 LYS 5 6.500 2.261 -16.427 29 HD2 LYS 5 HD2 LYS 5 6.586 4.135 -17.953 30 HD3 LYS 5 HD3 LYS 5 6.736 2.649 -18.896 31 HE2 LYS 5 HE2 LYS 5 5.281 4.034 -20.161 32 HE3 LYS 5 HE3 LYS 5 4.221 2.844 -19.402 33 HZ1 LYS 5 HZ1 LYS 5 3.286 5.072 -19.280 34 HZ2 LYS 5 HZ2 LYS 5 4.602 5.650 -18.482 35 HZ3 LYS 5 HZ3 LYS 5 3.617 4.546 -17.753 36 H ALA 6 H ALA 6 2.235 -0.096 -16.139 37 HA ALA 6 HA ALA 6 1.983 -2.878 -16.965 38 HB1 ALA 6 HB1 ALA 6 0.350 -1.794 -15.402 39 HB2 ALA 6 HB2 ALA 6 -0.097 -0.635 -16.682 40 HB3 ALA 6 HB3 ALA 6 -0.466 -2.364 -16.878 41 HA PRO 7 HA PRO 7 1.909 -1.912 -21.304 42 HB2 PRO 7 HB2 PRO 7 0.242 -3.765 -22.387 43 HB3 PRO 7 HB3 PRO 7 1.817 -4.228 -21.666 44 HG2 PRO 7 HG2 PRO 7 -0.919 -4.280 -20.412 45 HG3 PRO 7 HG3 PRO 7 0.297 -5.595 -20.511 46 HD2 PRO 7 HD2 PRO 7 0.067 -4.046 -18.311 47 HD3 PRO 7 HD3 PRO 7 1.674 -4.593 -18.894 48 H GLU 8 H GLU 8 0.634 -1.036 -23.023 49 HA GLU 8 HA GLU 8 -1.584 0.597 -22.097 50 HB2 GLU 8 HB2 GLU 8 -0.329 0.154 -24.827 51 HB3 GLU 8 HB3 GLU 8 -1.548 1.392 -24.467 52 HG2 GLU 8 HG2 GLU 8 0.004 2.466 -22.885 53 HG3 GLU 8 HG3 GLU 8 1.204 1.196 -23.180 54 H SER 9 H SER 9 -3.723 0.509 -22.775 55 HA SER 9 HA SER 9 -4.658 -2.176 -23.540 56 HB2 SER 9 HB2 SER 9 -6.879 -1.296 -23.131 57 HB3 SER 9 HB3 SER 9 -5.809 -0.795 -21.805 58 HG SER 9 HG SER 9 -5.641 1.225 -22.714 59 H ALA 10 H ALA 10 -6.369 -2.393 -25.210 60 HA ALA 10 HA ALA 10 -5.366 -1.703 -27.736 61 HB1 ALA 10 HB1 ALA 10 -7.508 -2.596 -28.599 62 HB2 ALA 10 HB2 ALA 10 -6.841 -3.636 -27.315 63 HB3 ALA 10 HB3 ALA 10 -8.195 -2.531 -26.960 64 H THR 11 H THR 11 -7.796 0.026 -25.761 65 HA THR 11 HA THR 11 -8.611 1.744 -27.941 66 HB THR 11 HB THR 11 -8.840 2.735 -25.140 67 HG1 THR 11 HG1 THR 11 -10.484 1.108 -24.758 68 HG21 THR 11 HG21 THR 11 -10.070 3.675 -27.134 69 HG22 THR 11 HG22 THR 11 -11.132 3.149 -25.814 70 HG23 THR 11 HG23 THR 11 -10.940 2.129 -27.268 71 H GLU 12 H GLU 12 -6.276 2.023 -25.252 72 HA GLU 12 HA GLU 12 -5.860 4.816 -25.468 73 HB2 GLU 12 HB2 GLU 12 -4.100 2.577 -24.449 74 HB3 GLU 12 HB3 GLU 12 -3.679 4.291 -24.290 75 HG2 GLU 12 HG2 GLU 12 -5.608 4.720 -22.950 76 HG3 GLU 12 HG3 GLU 12 -6.266 3.126 -23.265 77 H LYS 13 H LYS 13 -4.162 2.114 -27.078 78 HA LYS 13 HA LYS 13 -2.126 3.785 -28.223 79 HB2 LYS 13 HB2 LYS 13 -1.768 1.918 -29.815 80 HB3 LYS 13 HB3 LYS 13 -1.771 1.432 -28.119 81 HG2 LYS 13 HG2 LYS 13 -3.517 0.038 -28.388 82 HG3 LYS 13 HG3 LYS 13 -4.407 1.198 -29.376 83 HD2 LYS 13 HD2 LYS 13 -2.944 0.632 -31.315 84 HD3 LYS 13 HD3 LYS 13 -2.185 -0.632 -30.315 85 HE2 LYS 13 HE2 LYS 13 -4.349 -1.748 -30.036 86 HE3 LYS 13 HE3 LYS 13 -5.168 -0.443 -30.922 87 HZ1 LYS 13 HZ1 LYS 13 -3.897 -1.040 -32.882 88 HZ2 LYS 13 HZ2 LYS 13 -4.741 -2.348 -32.344 89 HZ3 LYS 13 HZ3 LYS 13 -3.113 -2.252 -32.078 90 H VAL 14 H VAL 14 -5.425 3.062 -29.335 91 HA VAL 14 HA VAL 14 -4.968 4.124 -31.995 92 HB VAL 14 HB VAL 14 -7.594 3.662 -30.478 93 HG11 VAL 14 HG11 VAL 14 -7.039 4.175 -33.439 94 HG12 VAL 14 HG12 VAL 14 -8.603 3.667 -32.774 95 HG13 VAL 14 HG13 VAL 14 -7.924 5.241 -32.319 96 HG21 VAL 14 HG21 VAL 14 -6.139 1.904 -32.502 97 HG22 VAL 14 HG22 VAL 14 -6.369 1.561 -30.771 98 HG23 VAL 14 HG23 VAL 14 -7.767 1.607 -31.853 99 H LEU 15 H LEU 15 -6.438 5.258 -28.952 100 HA LEU 15 HA LEU 15 -7.220 7.824 -29.920 101 HB2 LEU 15 HB2 LEU 15 -6.456 6.775 -27.196 102 HB3 LEU 15 HB3 LEU 15 -7.056 8.410 -27.420 103 HG LEU 15 HG LEU 15 -8.616 5.980 -28.340 104 HD11 LEU 15 HD11 LEU 15 -7.969 5.648 -26.031 105 HD12 LEU 15 HD12 LEU 15 -9.710 6.018 -26.141 106 HD13 LEU 15 HD13 LEU 15 -8.557 7.273 -25.603 107 HD21 LEU 15 HD21 LEU 15 -9.429 8.164 -29.139 108 HD22 LEU 15 HD22 LEU 15 -9.434 8.796 -27.479 109 HD23 LEU 15 HD23 LEU 15 -10.555 7.492 -27.944 110 H CYS 16 H CYS 16 -4.226 6.627 -28.442 111 HA CYS 16 HA CYS 16 -2.818 9.082 -28.303 112 HB2 CYS 16 HB2 CYS 16 -2.165 6.756 -27.320 113 HB3 CYS 16 HB3 CYS 16 -1.640 6.443 -29.045 114 HG CYS 16 HG CYS 16 -0.586 8.945 -27.185 115 H ALA 17 H ALA 17 -3.047 6.651 -31.024 116 HA ALA 17 HA ALA 17 -1.283 8.009 -32.859 117 HB1 ALA 17 HB1 ALA 17 -3.554 6.232 -33.374 118 HB2 ALA 17 HB2 ALA 17 -2.241 6.710 -34.487 119 HB3 ALA 17 HB3 ALA 17 -1.901 5.757 -33.025 120 H LEU 18 H LEU 18 -4.877 8.227 -32.265 121 HA LEU 18 HA LEU 18 -5.402 9.989 -34.446 122 HB2 LEU 18 HB2 LEU 18 -6.910 9.597 -31.853 123 HB3 LEU 18 HB3 LEU 18 -7.478 10.569 -33.202 124 HG LEU 18 HG LEU 18 -7.032 7.579 -33.264 125 HD11 LEU 18 HD11 LEU 18 -8.897 8.313 -31.844 126 HD12 LEU 18 HD12 LEU 18 -9.509 7.546 -33.345 127 HD13 LEU 18 HD13 LEU 18 -9.515 9.338 -33.169 128 HD21 LEU 18 HD21 LEU 18 -6.648 8.479 -35.481 129 HD22 LEU 18 HD22 LEU 18 -8.145 9.470 -35.365 130 HD23 LEU 18 HD23 LEU 18 -8.242 7.687 -35.445 131 H TYR 19 H TYR 19 -4.130 10.680 -31.158 132 HA TYR 19 HA TYR 19 -4.850 13.477 -31.192 133 HB2 TYR 19 HB2 TYR 19 -2.750 11.867 -29.822 134 HB3 TYR 19 HB3 TYR 19 -2.583 13.570 -29.867 135 HD1 TYR 19 HD1 TYR 19 -5.773 11.713 -29.383 136 HD2 TYR 19 HD2 TYR 19 -2.696 14.166 -27.608 137 HE1 TYR 19 HE1 TYR 19 -7.161 12.007 -27.309 138 HE2 TYR 19 HE2 TYR 19 -4.073 14.408 -25.587 139 HH TYR 19 HH TYR 19 -6.035 14.075 -24.592 140 H ALA 20 H ALA 20 -1.919 11.627 -32.290 141 HA ALA 20 HA ALA 20 -0.451 13.924 -33.110 142 HB1 ALA 20 HB1 ALA 20 0.644 11.726 -32.831 143 HB2 ALA 20 HB2 ALA 20 -0.400 11.044 -34.099 144 HB3 ALA 20 HB3 ALA 20 0.808 12.272 -34.515 145 H GLU 21 H GLU 21 -2.996 12.064 -34.739 146 HA GLU 21 HA GLU 21 -2.379 12.972 -37.447 147 HB2 GLU 21 HB2 GLU 21 -4.852 11.918 -36.037 148 HB3 GLU 21 HB3 GLU 21 -4.896 12.413 -37.728 149 HG2 GLU 21 HG2 GLU 21 -3.056 10.279 -36.573 150 HG3 GLU 21 HG3 GLU 21 -4.617 9.952 -37.338 151 H ILE 22 H ILE 22 -4.173 14.252 -34.741 152 HA ILE 22 HA ILE 22 -5.427 16.382 -36.345 153 HB ILE 22 HB ILE 22 -5.449 15.542 -33.446 154 HG12 ILE 22 HG12 ILE 22 -6.553 13.975 -34.936 155 HG13 ILE 22 HG13 ILE 22 -7.715 14.669 -33.986 156 HG21 ILE 22 HG21 ILE 22 -7.517 17.068 -33.301 157 HG22 ILE 22 HG22 ILE 22 -5.936 17.868 -33.395 158 HG23 ILE 22 HG23 ILE 22 -6.997 17.748 -34.842 159 HD11 ILE 22 HD11 ILE 22 -8.660 14.524 -36.140 160 HD12 ILE 22 HD12 ILE 22 -8.275 16.238 -35.949 161 HD13 ILE 22 HD13 ILE 22 -7.181 15.171 -36.853 162 H LEU 23 H LEU 23 -2.925 15.985 -33.907 163 HA LEU 23 HA LEU 23 -2.577 18.842 -33.645 164 HB2 LEU 23 HB2 LEU 23 -0.979 16.439 -32.610 165 HB3 LEU 23 HB3 LEU 23 -0.635 18.118 -32.184 166 HG LEU 23 HG LEU 23 -3.332 16.867 -31.588 167 HD11 LEU 23 HD11 LEU 23 -2.508 16.436 -29.355 168 HD12 LEU 23 HD12 LEU 23 -0.858 16.903 -29.895 169 HD13 LEU 23 HD13 LEU 23 -1.635 15.490 -30.617 170 HD21 LEU 23 HD21 LEU 23 -3.291 18.555 -29.752 171 HD22 LEU 23 HD22 LEU 23 -3.313 19.242 -31.426 172 HD23 LEU 23 HD23 LEU 23 -1.803 19.244 -30.500 173 H GLY 24 H GLY 24 -1.120 16.380 -35.622 174 HA2 GLY 24 HA2 GLY 24 0.344 16.704 -37.377 175 HA3 GLY 24 HA3 GLY 24 0.264 18.452 -37.090 176 H VAL 25 H VAL 25 1.223 16.093 -34.640 177 HA VAL 25 HA VAL 25 3.918 17.374 -34.575 178 HB VAL 25 HB VAL 25 4.056 16.473 -32.239 179 HG11 VAL 25 HG11 VAL 25 1.605 18.212 -32.760 180 HG12 VAL 25 HG12 VAL 25 2.504 18.096 -31.233 181 HG13 VAL 25 HG13 VAL 25 3.286 18.785 -32.669 182 HG21 VAL 25 HG21 VAL 25 2.449 14.569 -32.505 183 HG22 VAL 25 HG22 VAL 25 2.060 15.596 -31.111 184 HG23 VAL 25 HG23 VAL 25 1.113 15.737 -32.602 185 H GLU 26 H GLU 26 5.754 15.958 -34.101 186 HA GLU 26 HA GLU 26 5.879 13.758 -35.888 187 HB2 GLU 26 HB2 GLU 26 7.822 15.148 -35.054 188 HB3 GLU 26 HB3 GLU 26 7.654 14.371 -33.481 189 HG2 GLU 26 HG2 GLU 26 8.006 12.150 -34.774 190 HG3 GLU 26 HG3 GLU 26 8.588 13.171 -36.093 191 H ARG 27 H ARG 27 5.619 13.894 -32.345 192 HA ARG 27 HA ARG 27 4.682 11.023 -32.341 193 HB2 ARG 27 HB2 ARG 27 6.979 12.089 -30.785 194 HB3 ARG 27 HB3 ARG 27 6.031 10.726 -30.255 195 HG2 ARG 27 HG2 ARG 27 6.680 9.447 -32.084 196 HG3 ARG 27 HG3 ARG 27 7.232 10.828 -33.068 197 HD2 ARG 27 HD2 ARG 27 9.181 9.820 -32.302 198 HD3 ARG 27 HD3 ARG 27 8.965 11.324 -31.409 199 HE ARG 27 HE ARG 27 7.793 9.132 -29.965 200 HH11 ARG 27 HH11 ARG 27 10.940 10.560 -30.679 201 HH12 ARG 27 HH12 ARG 27 11.672 9.885 -29.243 202 HH21 ARG 27 HH21 ARG 27 8.771 8.322 -28.168 203 HH22 ARG 27 HH22 ARG 27 10.453 8.630 -27.830 204 H VAL 28 H VAL 28 3.596 10.575 -30.241 205 HA VAL 28 HA VAL 28 2.986 12.835 -28.404 206 HB VAL 28 HB VAL 28 1.177 13.047 -30.226 207 HG11 VAL 28 HG11 VAL 28 -0.282 11.306 -30.653 208 HG12 VAL 28 HG12 VAL 28 1.327 10.577 -30.812 209 HG13 VAL 28 HG13 VAL 28 0.346 10.293 -29.335 210 HG21 VAL 28 HG21 VAL 28 -0.664 13.045 -28.916 211 HG22 VAL 28 HG22 VAL 28 0.106 11.951 -27.701 212 HG23 VAL 28 HG23 VAL 28 0.797 13.618 -27.946 213 H GLY 29 H GLY 29 2.525 11.953 -26.411 214 HA2 GLY 29 HA2 GLY 29 3.085 9.116 -26.146 215 HA3 GLY 29 HA3 GLY 29 3.371 10.240 -24.858 216 H VAL 30 H VAL 30 2.042 8.023 -24.082 217 HA VAL 30 HA VAL 30 -0.811 8.095 -24.694 218 HB VAL 30 HB VAL 30 -0.588 6.607 -22.381 219 HG11 VAL 30 HG11 VAL 30 -1.741 5.965 -24.501 220 HG12 VAL 30 HG12 VAL 30 -0.157 5.564 -25.222 221 HG13 VAL 30 HG13 VAL 30 -0.789 4.638 -23.838 222 HG21 VAL 30 HG21 VAL 30 1.893 6.879 -22.369 223 HG22 VAL 30 HG22 VAL 30 1.383 5.186 -22.533 224 HG23 VAL 30 HG23 VAL 30 1.964 6.057 -23.959 225 H ASP 31 H ASP 31 1.386 9.485 -22.550 226 HA ASP 31 HA ASP 31 -0.709 10.369 -20.667 227 HB2 ASP 31 HB2 ASP 31 2.285 10.334 -20.490 228 HB3 ASP 31 HB3 ASP 31 1.186 10.899 -19.313 229 H ASP 32 H ASP 32 0.041 11.651 -23.456 230 HA ASP 32 HA ASP 32 1.297 14.046 -22.810 231 HB2 ASP 32 HB2 ASP 32 0.975 12.531 -25.186 232 HB3 ASP 32 HB3 ASP 32 0.132 14.047 -25.472 233 H ALA 33 H ALA 33 0.444 15.988 -22.461 234 HA ALA 33 HA ALA 33 -2.460 16.163 -22.221 235 HB1 ALA 33 HB1 ALA 33 -2.010 18.490 -21.435 236 HB2 ALA 33 HB2 ALA 33 -0.996 17.282 -20.605 237 HB3 ALA 33 HB3 ALA 33 -0.302 18.280 -21.891 238 H PHE 34 H PHE 34 -3.768 16.497 -23.911 239 HA PHE 34 HA PHE 34 -3.059 17.061 -26.510 240 HB2 PHE 34 HB2 PHE 34 -5.294 16.319 -25.702 241 HB3 PHE 34 HB3 PHE 34 -5.627 17.954 -25.127 242 HD1 PHE 34 HD1 PHE 34 -4.559 16.162 -28.267 243 HD2 PHE 34 HD2 PHE 34 -6.830 19.380 -26.544 244 HE1 PHE 34 HE1 PHE 34 -5.455 16.717 -30.510 245 HE2 PHE 34 HE2 PHE 34 -7.730 19.955 -28.790 246 HZ PHE 34 HZ PHE 34 -7.038 18.619 -30.787 247 H HIS 35 H HIS 35 -3.911 19.534 -24.073 248 HA HIS 35 HA HIS 35 -3.863 21.663 -26.007 249 HB2 HIS 35 HB2 HIS 35 -4.013 23.121 -23.999 250 HB3 HIS 35 HB3 HIS 35 -5.259 21.871 -24.090 251 HD1 HIS 35 HD1 HIS 35 -5.594 20.554 -21.978 252 HD2 HIS 35 HD2 HIS 35 -1.803 22.257 -22.181 253 HE1 HIS 35 HE1 HIS 35 -4.453 20.064 -19.779 254 H ASP 36 H ASP 36 -1.270 20.079 -24.288 255 HA ASP 36 HA ASP 36 0.430 22.434 -24.114 256 HB2 ASP 36 HB2 ASP 36 0.613 20.291 -22.741 257 HB3 ASP 36 HB3 ASP 36 1.313 19.532 -24.180 258 H LEU 37 H LEU 37 -0.165 19.834 -26.417 259 HA LEU 37 HA LEU 37 1.933 20.697 -28.267 260 HB2 LEU 37 HB2 LEU 37 -0.414 18.799 -28.580 261 HB3 LEU 37 HB3 LEU 37 0.788 19.084 -29.805 262 HG LEU 37 HG LEU 37 1.557 17.134 -29.081 263 HD11 LEU 37 HD11 LEU 37 2.817 18.809 -26.879 264 HD12 LEU 37 HD12 LEU 37 3.387 18.729 -28.564 265 HD13 LEU 37 HD13 LEU 37 3.430 17.279 -27.536 266 HD21 LEU 37 HD21 LEU 37 -0.290 16.789 -27.451 267 HD22 LEU 37 HD22 LEU 37 0.683 17.674 -26.223 268 HD23 LEU 37 HD23 LEU 37 1.263 16.133 -26.912 269 H GLY 38 H GLY 38 -0.442 22.509 -27.352 270 HA2 GLY 38 HA2 GLY 38 -1.395 24.329 -28.429 271 HA3 GLY 38 HA3 GLY 38 -0.782 23.730 -29.977 272 H GLY 39 H GLY 39 -2.588 21.476 -28.071 273 HA2 GLY 39 HA2 GLY 39 -4.599 21.216 -30.080 274 HA3 GLY 39 HA3 GLY 39 -4.580 20.426 -28.503 275 H SER 40 H SER 40 -5.557 23.230 -30.324 276 HA SER 40 HA SER 40 -6.932 24.588 -28.187 277 HB2 SER 40 HB2 SER 40 -7.888 25.938 -30.004 278 HB3 SER 40 HB3 SER 40 -6.148 25.700 -30.264 279 HG SER 40 HG SER 40 -6.557 24.624 -32.012 280 H SER 41 H SER 41 -9.312 25.016 -28.243 281 HA SER 41 HA SER 41 -10.832 22.616 -28.065 282 HB2 SER 41 HB2 SER 41 -12.783 24.271 -28.072 283 HB3 SER 41 HB3 SER 41 -11.527 24.547 -26.842 284 HG SER 41 HG SER 41 -12.112 26.468 -27.967 285 H ALA 42 H ALA 42 -10.172 24.811 -30.740 286 HA ALA 42 HA ALA 42 -12.255 23.881 -32.479 287 HB1 ALA 42 HB1 ALA 42 -9.524 25.087 -33.137 288 HB2 ALA 42 HB2 ALA 42 -10.888 24.918 -34.267 289 HB3 ALA 42 HB3 ALA 42 -11.028 26.000 -32.861 290 H LEU 43 H LEU 43 -8.848 22.856 -31.938 291 HA LEU 43 HA LEU 43 -8.882 20.861 -34.012 292 HB2 LEU 43 HB2 LEU 43 -7.139 21.300 -31.582 293 HB3 LEU 43 HB3 LEU 43 -6.940 19.908 -32.637 294 HG LEU 43 HG LEU 43 -6.647 22.792 -33.516 295 HD11 LEU 43 HD11 LEU 43 -4.237 22.219 -33.660 296 HD12 LEU 43 HD12 LEU 43 -4.575 20.617 -32.974 297 HD13 LEU 43 HD13 LEU 43 -4.855 22.084 -32.003 298 HD21 LEU 43 HD21 LEU 43 -7.357 21.408 -35.401 299 HD22 LEU 43 HD22 LEU 43 -6.160 20.155 -34.988 300 HD23 LEU 43 HD23 LEU 43 -5.626 21.749 -35.567 301 H ALA 44 H ALA 44 -9.719 20.862 -30.569 302 HA ALA 44 HA ALA 44 -9.862 18.079 -30.172 303 HB1 ALA 44 HB1 ALA 44 -11.671 20.250 -28.996 304 HB2 ALA 44 HB2 ALA 44 -11.412 18.621 -28.332 305 HB3 ALA 44 HB3 ALA 44 -10.068 19.775 -28.379 306 H MET 45 H MET 45 -12.308 20.244 -31.683 307 HA MET 45 HA MET 45 -14.396 18.346 -31.779 308 HB2 MET 45 HB2 MET 45 -13.747 20.680 -33.551 309 HB3 MET 45 HB3 MET 45 -15.183 19.744 -33.654 310 HG2 MET 45 HG2 MET 45 -14.350 21.229 -31.179 311 HG3 MET 45 HG3 MET 45 -15.509 21.837 -32.379 312 HE1 MET 45 HE1 MET 45 -16.348 21.707 -29.370 313 HE2 MET 45 HE2 MET 45 -17.489 22.148 -30.665 314 HE3 MET 45 HE3 MET 45 -17.940 20.918 -29.461 315 H ARG 46 H ARG 46 -11.575 18.807 -33.886 316 HA ARG 46 HA ARG 46 -12.635 17.058 -35.990 317 HB2 ARG 46 HB2 ARG 46 -9.807 17.988 -35.351 318 HB3 ARG 46 HB3 ARG 46 -10.238 17.005 -36.753 319 HG2 ARG 46 HG2 ARG 46 -10.612 18.843 -37.901 320 HG3 ARG 46 HG3 ARG 46 -11.966 19.238 -36.822 321 HD2 ARG 46 HD2 ARG 46 -10.503 20.437 -35.339 322 HD3 ARG 46 HD3 ARG 46 -9.068 19.899 -36.213 323 HE ARG 46 HE ARG 46 -11.018 21.954 -37.072 324 HH11 ARG 46 HH11 ARG 46 -8.003 20.229 -37.761 325 HH12 ARG 46 HH12 ARG 46 -7.517 21.377 -38.973 326 HH21 ARG 46 HH21 ARG 46 -10.324 23.368 -38.646 327 HH22 ARG 46 HH22 ARG 46 -8.805 23.116 -39.459 328 H LEU 47 H LEU 47 -10.657 16.688 -33.065 329 HA LEU 47 HA LEU 47 -9.847 13.984 -33.618 330 HB2 LEU 47 HB2 LEU 47 -9.172 15.818 -31.781 331 HB3 LEU 47 HB3 LEU 47 -10.297 14.884 -30.800 332 HG LEU 47 HG LEU 47 -8.108 13.516 -32.319 333 HD11 LEU 47 HD11 LEU 47 -6.672 13.817 -30.339 334 HD12 LEU 47 HD12 LEU 47 -7.884 14.905 -29.662 335 HD13 LEU 47 HD13 LEU 47 -7.027 15.331 -31.177 336 HD21 LEU 47 HD21 LEU 47 -9.412 12.863 -29.689 337 HD22 LEU 47 HD22 LEU 47 -8.052 11.979 -30.453 338 HD23 LEU 47 HD23 LEU 47 -9.646 12.030 -31.250 339 H ILE 48 H ILE 48 -12.586 15.413 -31.839 340 HA ILE 48 HA ILE 48 -13.773 12.935 -31.031 341 HB ILE 48 HB ILE 48 -14.988 15.681 -31.602 342 HG12 ILE 48 HG12 ILE 48 -14.463 14.361 -28.919 343 HG13 ILE 48 HG13 ILE 48 -13.230 15.317 -29.733 344 HG21 ILE 48 HG21 ILE 48 -16.968 14.904 -30.284 345 HG22 ILE 48 HG22 ILE 48 -16.756 13.949 -31.762 346 HG23 ILE 48 HG23 ILE 48 -16.267 13.272 -30.197 347 HD11 ILE 48 HD11 ILE 48 -14.329 16.698 -28.124 348 HD12 ILE 48 HD12 ILE 48 -14.788 17.262 -29.747 349 HD13 ILE 48 HD13 ILE 48 -15.932 16.294 -28.777 350 H ALA 49 H ALA 49 -14.003 14.867 -34.023 351 HA ALA 49 HA ALA 49 -16.050 13.242 -35.201 352 HB1 ALA 49 HB1 ALA 49 -13.889 14.891 -36.604 353 HB2 ALA 49 HB2 ALA 49 -15.411 14.301 -37.314 354 HB3 ALA 49 HB3 ALA 49 -15.444 15.518 -36.016 355 H ARG 50 H ARG 50 -12.447 13.044 -35.327 356 HA ARG 50 HA ARG 50 -12.298 10.865 -37.226 357 HB2 ARG 50 HB2 ARG 50 -10.471 12.184 -35.272 358 HB3 ARG 50 HB3 ARG 50 -10.211 10.462 -35.506 359 HG2 ARG 50 HG2 ARG 50 -8.791 11.699 -36.985 360 HG3 ARG 50 HG3 ARG 50 -9.983 10.797 -37.933 361 HD2 ARG 50 HD2 ARG 50 -11.287 12.889 -38.323 362 HD3 ARG 50 HD3 ARG 50 -10.209 13.779 -37.247 363 HE ARG 50 HE ARG 50 -8.438 13.614 -38.835 364 HH11 ARG 50 HH11 ARG 50 -11.432 12.238 -40.131 365 HH12 ARG 50 HH12 ARG 50 -10.844 12.293 -41.770 366 HH21 ARG 50 HH21 ARG 50 -7.769 13.640 -40.946 367 HH22 ARG 50 HH22 ARG 50 -8.817 13.080 -42.221 368 H ILE 51 H ILE 51 -12.491 11.002 -33.662 369 HA ILE 51 HA ILE 51 -12.175 8.270 -33.172 370 HB ILE 51 HB ILE 51 -13.681 10.393 -31.604 371 HG12 ILE 51 HG12 ILE 51 -11.198 8.725 -30.971 372 HG13 ILE 51 HG13 ILE 51 -11.084 10.232 -31.861 373 HG21 ILE 51 HG21 ILE 51 -13.454 7.473 -31.039 374 HG22 ILE 51 HG22 ILE 51 -13.719 8.656 -29.765 375 HG23 ILE 51 HG23 ILE 51 -14.915 8.487 -31.057 376 HD11 ILE 51 HD11 ILE 51 -12.108 9.859 -29.034 377 HD12 ILE 51 HD12 ILE 51 -10.556 10.566 -29.514 378 HD13 ILE 51 HD13 ILE 51 -12.072 11.409 -29.902 379 H ARG 52 H ARG 52 -15.136 9.974 -34.285 380 HA ARG 52 HA ARG 52 -16.855 7.731 -33.768 381 HB2 ARG 52 HB2 ARG 52 -17.103 9.991 -35.810 382 HB3 ARG 52 HB3 ARG 52 -18.333 8.763 -35.450 383 HG2 ARG 52 HG2 ARG 52 -18.402 9.524 -33.123 384 HG3 ARG 52 HG3 ARG 52 -17.276 10.830 -33.522 385 HD2 ARG 52 HD2 ARG 52 -19.590 10.580 -35.329 386 HD3 ARG 52 HD3 ARG 52 -20.005 10.961 -33.650 387 HE ARG 52 HE ARG 52 -18.601 12.946 -33.816 388 HH11 ARG 52 HH11 ARG 52 -19.398 11.438 -36.923 389 HH12 ARG 52 HH12 ARG 52 -19.159 12.917 -37.799 390 HH21 ARG 52 HH21 ARG 52 -18.302 14.782 -35.013 391 HH22 ARG 52 HH22 ARG 52 -18.547 14.773 -36.737 392 H GLU 53 H GLU 53 -14.743 8.472 -36.409 393 HA GLU 53 HA GLU 53 -16.002 6.539 -38.254 394 HB2 GLU 53 HB2 GLU 53 -13.201 7.595 -38.381 395 HB3 GLU 53 HB3 GLU 53 -14.300 7.123 -39.723 396 HG2 GLU 53 HG2 GLU 53 -14.590 9.671 -38.075 397 HG3 GLU 53 HG3 GLU 53 -14.061 9.588 -39.706 398 H GLU 54 H GLU 54 -13.289 6.609 -35.913 399 HA GLU 54 HA GLU 54 -12.115 4.278 -36.945 400 HB2 GLU 54 HB2 GLU 54 -10.759 6.100 -36.542 401 HB3 GLU 54 HB3 GLU 54 -11.632 6.491 -35.015 402 HG2 GLU 54 HG2 GLU 54 -9.511 5.687 -34.316 403 HG3 GLU 54 HG3 GLU 54 -10.726 4.557 -34.130 404 H LEU 55 H LEU 55 -13.551 5.485 -33.843 405 HA LEU 55 HA LEU 55 -13.514 2.674 -32.817 406 HB2 LEU 55 HB2 LEU 55 -14.261 5.233 -31.357 407 HB3 LEU 55 HB3 LEU 55 -13.980 3.650 -30.642 408 HG LEU 55 HG LEU 55 -11.851 5.479 -31.807 409 HD11 LEU 55 HD11 LEU 55 -11.063 5.666 -29.497 410 HD12 LEU 55 HD12 LEU 55 -12.334 4.513 -28.945 411 HD13 LEU 55 HD13 LEU 55 -12.809 6.123 -29.598 412 HD21 LEU 55 HD21 LEU 55 -10.217 3.812 -30.845 413 HD22 LEU 55 HD22 LEU 55 -11.167 3.171 -32.214 414 HD23 LEU 55 HD23 LEU 55 -11.604 2.716 -30.558 415 H GLY 56 H GLY 56 -15.557 4.753 -34.397 416 HA2 GLY 56 HA2 GLY 56 -17.778 4.336 -34.972 417 HA3 GLY 56 HA3 GLY 56 -17.723 2.874 -33.993 418 H VAL 57 H VAL 57 -16.940 5.860 -32.354 419 HA VAL 57 HA VAL 57 -19.724 6.083 -31.322 420 HB VAL 57 HB VAL 57 -18.860 6.122 -28.951 421 HG11 VAL 57 HG11 VAL 57 -18.723 3.715 -28.642 422 HG12 VAL 57 HG12 VAL 57 -19.903 4.070 -29.918 423 HG13 VAL 57 HG13 VAL 57 -18.283 3.475 -30.347 424 HG21 VAL 57 HG21 VAL 57 -16.451 6.598 -29.481 425 HG22 VAL 57 HG22 VAL 57 -16.648 5.188 -28.421 426 HG23 VAL 57 HG23 VAL 57 -16.296 4.950 -30.144 427 H ASP 58 H ASP 58 -20.126 8.101 -30.177 428 HA ASP 58 HA ASP 58 -18.342 10.248 -31.109 429 HB2 ASP 58 HB2 ASP 58 -20.015 11.768 -30.190 430 HB3 ASP 58 HB3 ASP 58 -20.778 10.574 -31.246 431 H LEU 59 H LEU 59 -16.679 10.974 -29.959 432 HA LEU 59 HA LEU 59 -16.135 9.885 -27.364 433 HB2 LEU 59 HB2 LEU 59 -14.455 10.683 -29.056 434 HB3 LEU 59 HB3 LEU 59 -14.892 12.317 -28.662 435 HG LEU 59 HG LEU 59 -12.759 11.625 -27.677 436 HD11 LEU 59 HD11 LEU 59 -14.216 13.310 -26.513 437 HD12 LEU 59 HD12 LEU 59 -12.951 12.514 -25.555 438 HD13 LEU 59 HD13 LEU 59 -14.635 12.000 -25.386 439 HD21 LEU 59 HD21 LEU 59 -13.387 9.224 -27.345 440 HD22 LEU 59 HD22 LEU 59 -14.313 9.724 -25.918 441 HD23 LEU 59 HD23 LEU 59 -12.551 9.982 -25.974 442 HA PRO 60 HA PRO 60 -18.783 12.889 -25.311 443 HB2 PRO 60 HB2 PRO 60 -17.437 11.909 -22.813 444 HB3 PRO 60 HB3 PRO 60 -19.176 11.947 -23.215 445 HG2 PRO 60 HG2 PRO 60 -17.818 9.656 -23.142 446 HG3 PRO 60 HG3 PRO 60 -19.074 9.964 -24.385 447 HD2 PRO 60 HD2 PRO 60 -16.054 10.140 -24.665 448 HD3 PRO 60 HD3 PRO 60 -17.288 9.392 -25.740 449 H ILE 61 H ILE 61 -17.994 14.961 -25.667 450 HA ILE 61 HA ILE 61 -15.321 15.726 -25.275 451 HB ILE 61 HB ILE 61 -17.089 16.887 -26.657 452 HG12 ILE 61 HG12 ILE 61 -15.517 18.719 -24.869 453 HG13 ILE 61 HG13 ILE 61 -14.747 17.739 -26.106 454 HG21 ILE 61 HG21 ILE 61 -17.784 18.333 -24.062 455 HG22 ILE 61 HG22 ILE 61 -18.459 18.642 -25.673 456 HG23 ILE 61 HG23 ILE 61 -18.820 17.114 -24.849 457 HD11 ILE 61 HD11 ILE 61 -15.034 19.926 -27.058 458 HD12 ILE 61 HD12 ILE 61 -16.262 18.898 -27.832 459 HD13 ILE 61 HD13 ILE 61 -16.719 20.005 -26.516 460 H ARG 62 H ARG 62 -17.868 15.493 -22.895 461 HA ARG 62 HA ARG 62 -16.742 17.135 -20.852 462 HB2 ARG 62 HB2 ARG 62 -18.940 15.468 -21.115 463 HB3 ARG 62 HB3 ARG 62 -17.924 14.572 -19.981 464 HG2 ARG 62 HG2 ARG 62 -19.001 17.393 -19.645 465 HG3 ARG 62 HG3 ARG 62 -19.482 15.959 -18.726 466 HD2 ARG 62 HD2 ARG 62 -16.757 17.246 -18.575 467 HD3 ARG 62 HD3 ARG 62 -18.045 17.395 -17.380 468 HE ARG 62 HE ARG 62 -16.370 15.014 -17.977 469 HH11 ARG 62 HH11 ARG 62 -18.822 16.475 -15.865 470 HH12 ARG 62 HH12 ARG 62 -18.681 15.189 -14.699 471 HH21 ARG 62 HH21 ARG 62 -16.312 13.426 -16.489 472 HH22 ARG 62 HH22 ARG 62 -17.264 13.522 -15.027 473 H GLN 63 H GLN 63 -16.042 13.771 -21.880 474 HA GLN 63 HA GLN 63 -14.300 13.254 -19.609 475 HB2 GLN 63 HB2 GLN 63 -15.230 11.766 -21.985 476 HB3 GLN 63 HB3 GLN 63 -13.716 11.324 -21.312 477 HG2 GLN 63 HG2 GLN 63 -15.704 10.032 -20.387 478 HG3 GLN 63 HG3 GLN 63 -14.662 10.797 -19.180 479 HE21 GLN 63 HE21 GLN 63 -17.808 10.871 -20.830 480 HE22 GLN 63 HE22 GLN 63 -18.530 11.898 -19.595 481 H LEU 64 H LEU 64 -13.997 14.399 -22.932 482 HA LEU 64 HA LEU 64 -11.150 14.101 -23.116 483 HB2 LEU 64 HB2 LEU 64 -12.755 14.605 -24.983 484 HB3 LEU 64 HB3 LEU 64 -12.860 16.252 -24.390 485 HG LEU 64 HG LEU 64 -10.391 16.520 -24.774 486 HD11 LEU 64 HD11 LEU 64 -9.651 14.192 -24.612 487 HD12 LEU 64 HD12 LEU 64 -9.272 14.850 -26.254 488 HD13 LEU 64 HD13 LEU 64 -10.681 13.753 -26.032 489 HD21 LEU 64 HD21 LEU 64 -12.009 15.622 -27.174 490 HD22 LEU 64 HD22 LEU 64 -10.565 16.692 -27.205 491 HD23 LEU 64 HD23 LEU 64 -12.081 17.244 -26.411 492 H PHE 65 H PHE 65 -13.194 16.886 -22.090 493 HA PHE 65 HA PHE 65 -10.846 18.473 -21.480 494 HB2 PHE 65 HB2 PHE 65 -13.760 18.767 -20.659 495 HB3 PHE 65 HB3 PHE 65 -12.501 19.967 -20.335 496 HD1 PHE 65 HD2 PHE 65 -11.133 19.310 -23.250 497 HD2 PHE 65 HD1 PHE 65 -15.035 20.530 -21.859 498 HE1 PHE 65 HE2 PHE 65 -11.558 20.407 -25.425 499 HE2 PHE 65 HE1 PHE 65 -15.459 21.642 -24.048 500 HZ PHE 65 HZ PHE 65 -13.717 21.585 -25.831 501 H SER 66 H SER 66 -12.702 16.110 -19.648 502 HA SER 66 HA SER 66 -11.683 16.989 -17.059 503 HB2 SER 66 HB2 SER 66 -12.840 14.308 -17.922 504 HB3 SER 66 HB3 SER 66 -12.545 14.831 -16.249 505 HG SER 66 HG SER 66 -14.331 15.983 -18.142 506 H SER 67 H SER 67 -10.529 14.987 -19.684 507 HA SER 67 HA SER 67 -8.020 14.482 -18.189 508 HB2 SER 67 HB2 SER 67 -9.687 12.299 -19.513 509 HB3 SER 67 HB3 SER 67 -8.072 12.090 -18.801 510 HG SER 67 HG SER 67 -9.509 13.274 -16.964 511 HA PRO 68 HA PRO 68 -7.623 15.741 -22.573 512 HB2 PRO 68 HB2 PRO 68 -5.488 17.427 -22.360 513 HB3 PRO 68 HB3 PRO 68 -7.129 17.898 -21.788 514 HG2 PRO 68 HG2 PRO 68 -4.864 16.734 -20.208 515 HG3 PRO 68 HG3 PRO 68 -5.787 18.250 -19.923 516 HD2 PRO 68 HD2 PRO 68 -6.451 15.977 -18.634 517 HD3 PRO 68 HD3 PRO 68 -7.722 17.092 -19.248 518 H THR 69 H THR 69 -5.883 13.531 -20.859 519 HA THR 69 HA THR 69 -3.715 13.361 -22.876 520 HB THR 69 HB THR 69 -2.751 11.596 -21.406 521 HG1 THR 69 HG1 THR 69 -3.746 11.396 -19.299 522 HG21 THR 69 HG21 THR 69 -2.206 14.005 -21.054 523 HG22 THR 69 HG22 THR 69 -2.040 12.988 -19.599 524 HG23 THR 69 HG23 THR 69 -3.455 14.055 -19.784 525 HA PRO 70 HA PRO 70 -6.043 10.444 -24.941 526 HB2 PRO 70 HB2 PRO 70 -4.238 8.725 -26.134 527 HB3 PRO 70 HB3 PRO 70 -4.454 10.438 -26.621 528 HG2 PRO 70 HG2 PRO 70 -2.461 9.252 -24.770 529 HG3 PRO 70 HG3 PRO 70 -2.215 10.304 -26.182 530 HD2 PRO 70 HD2 PRO 70 -2.262 11.308 -23.701 531 HD3 PRO 70 HD3 PRO 70 -2.992 12.208 -25.073 532 H ALA 71 H ALA 71 -3.604 8.994 -22.700 533 HA ALA 71 HA ALA 71 -5.166 6.549 -22.466 534 HB1 ALA 71 HB1 ALA 71 -3.674 6.081 -20.549 535 HB2 ALA 71 HB2 ALA 71 -2.764 6.518 -22.002 536 HB3 ALA 71 HB3 ALA 71 -2.975 7.709 -20.696 537 H GLY 72 H GLY 72 -5.104 9.725 -20.933 538 HA2 GLY 72 HA2 GLY 72 -6.528 8.921 -18.558 539 HA3 GLY 72 HA3 GLY 72 -6.368 10.570 -19.194 540 H VAL 73 H VAL 73 -7.508 10.391 -21.674 541 HA VAL 73 HA VAL 73 -10.228 10.550 -20.920 542 HB VAL 73 HB VAL 73 -9.137 11.840 -22.796 543 HG11 VAL 73 HG11 VAL 73 -9.562 9.335 -24.448 544 HG12 VAL 73 HG12 VAL 73 -9.019 10.936 -25.016 545 HG13 VAL 73 HG13 VAL 73 -7.982 10.006 -23.911 546 HG21 VAL 73 HG21 VAL 73 -11.671 10.345 -23.536 547 HG22 VAL 73 HG22 VAL 73 -11.552 11.776 -22.427 548 HG23 VAL 73 HG23 VAL 73 -11.119 11.950 -24.172 549 H ALA 74 H ALA 74 -8.281 7.918 -22.347 550 HA ALA 74 HA ALA 74 -10.473 6.221 -23.108 551 HB1 ALA 74 HB1 ALA 74 -7.741 5.375 -22.010 552 HB2 ALA 74 HB2 ALA 74 -8.810 4.445 -23.082 553 HB3 ALA 74 HB3 ALA 74 -7.999 5.912 -23.682 554 H ARG 75 H ARG 75 -8.679 6.573 -20.054 555 HA ARG 75 HA ARG 75 -10.156 4.453 -18.738 556 HB2 ARG 75 HB2 ARG 75 -8.406 6.705 -17.636 557 HB3 ARG 75 HB3 ARG 75 -9.032 5.387 -16.652 558 HG2 ARG 75 HG2 ARG 75 -7.776 3.740 -17.864 559 HG3 ARG 75 HG3 ARG 75 -7.387 4.882 -19.174 560 HD2 ARG 75 HD2 ARG 75 -6.154 6.270 -17.382 561 HD3 ARG 75 HD3 ARG 75 -6.230 4.801 -16.371 562 HE ARG 75 HE ARG 75 -5.333 4.158 -19.032 563 HH11 ARG 75 HH11 ARG 75 -4.103 5.791 -16.155 564 HH12 ARG 75 HH12 ARG 75 -2.443 5.460 -16.576 565 HH21 ARG 75 HH21 ARG 75 -3.251 3.760 -19.502 566 HH22 ARG 75 HH22 ARG 75 -1.961 4.313 -18.450 567 H ALA 76 H ALA 76 -10.432 8.008 -18.950 568 HA ALA 76 HA ALA 76 -12.464 8.266 -16.955 569 HB1 ALA 76 HB1 ALA 76 -11.054 10.101 -17.925 570 HB2 ALA 76 HB2 ALA 76 -11.999 9.978 -19.426 571 HB3 ALA 76 HB3 ALA 76 -12.793 10.477 -17.914 572 H LEU 77 H LEU 77 -12.711 7.716 -20.509 573 HA LEU 77 HA LEU 77 -15.628 7.774 -20.369 574 HB2 LEU 77 HB2 LEU 77 -15.576 7.215 -22.703 575 HB3 LEU 77 HB3 LEU 77 -14.373 8.474 -22.371 576 HG LEU 77 HG LEU 77 -12.726 6.435 -22.281 577 HD11 LEU 77 HD11 LEU 77 -14.678 5.336 -24.218 578 HD12 LEU 77 HD12 LEU 77 -14.346 4.617 -22.652 579 HD13 LEU 77 HD13 LEU 77 -13.077 4.668 -23.887 580 HD21 LEU 77 HD21 LEU 77 -13.790 7.582 -24.866 581 HD22 LEU 77 HD22 LEU 77 -12.153 6.938 -24.553 582 HD23 LEU 77 HD23 LEU 77 -12.699 8.382 -23.706 583 H ALA 78 H ALA 78 -13.093 5.301 -20.192 584 HA ALA 78 HA ALA 78 -14.857 3.062 -20.414 585 HB1 ALA 78 HB1 ALA 78 -12.305 3.344 -18.768 586 HB2 ALA 78 HB2 ALA 78 -13.107 1.808 -19.169 587 HB3 ALA 78 HB3 ALA 78 -12.408 2.811 -20.463 588 H ALA 79 H ALA 79 -14.131 5.240 -17.718 589 HA ALA 79 HA ALA 79 -15.440 3.704 -15.690 590 HB1 ALA 79 HB1 ALA 79 -15.414 5.783 -14.404 591 HB2 ALA 79 HB2 ALA 79 -13.864 5.593 -15.252 592 HB3 ALA 79 HB3 ALA 79 -15.088 6.730 -15.875 593 H LYS 80 H LYS 80 -16.725 5.406 -18.413 594 HA LYS 80 HA LYS 80 -19.335 5.886 -17.101 595 HB2 LYS 80 HB2 LYS 80 -18.523 6.266 -20.004 596 HB3 LYS 80 HB3 LYS 80 -20.025 6.797 -19.270 597 HG2 LYS 80 HG2 LYS 80 -17.233 7.851 -18.676 598 HG3 LYS 80 HG3 LYS 80 -18.525 8.690 -19.542 599 HD2 LYS 80 HD2 LYS 80 -18.533 7.925 -16.588 600 HD3 LYS 80 HD3 LYS 80 -18.290 9.547 -17.252 601 HE2 LYS 80 HE2 LYS 80 -20.579 9.520 -18.184 602 HE3 LYS 80 HE3 LYS 80 -20.826 7.879 -17.548 603 HZ1 LYS 80 HZ1 LYS 80 -21.737 9.519 -16.060 604 HZ2 LYS 80 HZ2 LYS 80 -20.284 10.286 -15.921 605 HZ3 LYS 80 HZ3 LYS 80 -20.483 8.755 -15.327 606 H SER 81 H SER 81 -17.798 3.342 -18.866 607 HA SER 81 HA SER 81 -20.444 2.200 -19.635 608 HB2 SER 81 HB2 SER 81 -19.074 0.536 -20.860 609 HB3 SER 81 HB3 SER 81 -18.751 2.202 -21.377 610 HG SER 81 HG SER 81 -16.875 0.800 -20.964 611 H ALA 82 H ALA 82 -18.425 2.264 -17.007 612 HA ALA 82 HA ALA 82 -18.492 -0.504 -16.203 613 HB1 ALA 82 HB1 ALA 82 -16.866 1.122 -15.281 614 HB2 ALA 82 HB2 ALA 82 -18.207 2.062 -14.569 615 HB3 ALA 82 HB3 ALA 82 -17.855 0.418 -13.984 616 H SER 83 H SER 83 -19.847 -1.426 -14.548 617 HA SER 83 HA SER 83 -22.597 -0.967 -14.904 618 HB2 SER 83 HB2 SER 83 -21.358 -2.255 -12.465 619 HB3 SER 83 HB3 SER 83 -22.908 -2.641 -13.241 620 HG SER 83 HG SER 83 -21.485 -4.158 -13.956 621 H TRP 84 H TRP 84 -20.396 0.617 -12.731 622 HA TRP 84 HA TRP 84 -22.679 2.223 -11.704 623 HB2 TRP 84 HB2 TRP 84 -20.355 1.056 -10.130 624 HB3 TRP 84 HB3 TRP 84 -21.162 2.548 -9.629 625 HD1 TRP 84 HD1 TRP 84 -23.677 2.364 -8.744 626 HE1 TRP 84 HE1 TRP 84 -25.095 0.466 -7.835 627 HE3 TRP 84 HE3 TRP 84 -20.765 -1.512 -10.349 628 HZ2 TRP 84 HZ2 TRP 84 -25.011 -2.382 -7.816 629 HZ3 TRP 84 HZ3 TRP 84 -21.507 -3.862 -9.848 630 HH2 TRP 84 HH2 TRP 84 -23.622 -4.274 -8.594 631 H SER 85 H SER 85 -22.287 4.383 -11.926 632 HA SER 85 HA SER 85 -19.543 5.322 -12.466 633 HB2 SER 85 HB2 SER 85 -20.614 4.551 -14.673 634 HB3 SER 85 HB3 SER 85 -21.781 5.873 -14.448 635 HG SER 85 HG SER 85 -19.029 5.926 -14.994 636 H HIS 86 H HIS 86 -19.510 7.704 -12.550 637 HA HIS 86 HA HIS 86 -21.192 8.889 -10.543 638 HB2 HIS 86 HB2 HIS 86 -19.567 10.326 -12.665 639 HB3 HIS 86 HB3 HIS 86 -20.013 10.931 -11.064 640 HD1 HIS 86 HD1 HIS 86 -18.929 9.168 -9.046 641 HD2 HIS 86 HD2 HIS 86 -17.032 9.478 -12.732 642 HE1 HIS 86 HE1 HIS 86 -16.568 8.334 -8.721 643 HA PRO 87 HA PRO 87 -24.563 9.940 -13.202 644 HB2 PRO 87 HB2 PRO 87 -25.561 12.266 -12.159 645 HB3 PRO 87 HB3 PRO 87 -25.730 10.688 -11.322 646 HG2 PRO 87 HG2 PRO 87 -23.657 12.835 -10.901 647 HG3 PRO 87 HG3 PRO 87 -24.704 12.026 -9.688 648 HD2 PRO 87 HD2 PRO 87 -22.173 11.211 -10.103 649 HD3 PRO 87 HD3 PRO 87 -23.487 10.015 -9.813 650 H GLN 88 H GLN 88 -25.237 11.442 -14.889 651 HA GLN 88 HA GLN 88 -23.599 13.802 -15.413 652 HB2 GLN 88 HB2 GLN 88 -22.192 11.876 -16.272 653 HB3 GLN 88 HB3 GLN 88 -23.478 11.532 -17.437 654 HG2 GLN 88 HG2 GLN 88 -23.204 13.784 -18.406 655 HG3 GLN 88 HG3 GLN 88 -21.952 14.154 -17.215 656 HE21 GLN 88 HE21 GLN 88 -22.266 13.598 -20.313 657 HE22 GLN 88 HE22 GLN 88 -20.825 12.672 -20.655 658 H PHE 89 H PHE 89 -25.906 11.410 -16.745 659 HA PHE 89 HA PHE 89 -27.465 13.679 -17.898 660 HB2 PHE 89 HB2 PHE 89 -27.486 10.746 -18.708 661 HB3 PHE 89 HB3 PHE 89 -28.390 12.063 -19.470 662 HD1 PHE 89 HD1 PHE 89 -26.866 14.097 -20.320 663 HD2 PHE 89 HD2 PHE 89 -25.481 10.070 -19.686 664 HE1 PHE 89 HE1 PHE 89 -24.983 14.504 -21.893 665 HE2 PHE 89 HE2 PHE 89 -23.595 10.464 -21.261 666 HZ PHE 89 HZ PHE 89 -23.344 12.682 -22.377 667 H GLU 90 H GLU 90 -29.816 13.403 -17.711 668 HA GLU 90 HA GLU 90 -30.863 11.383 -15.878 669 HB2 GLU 90 HB2 GLU 90 -29.934 13.267 -14.410 670 HB3 GLU 90 HB3 GLU 90 -31.102 14.348 -15.174 671 HG2 GLU 90 HG2 GLU 90 -31.711 13.372 -12.879 672 HG3 GLU 90 HG3 GLU 90 -32.942 13.272 -14.142 673 H LYS 91 H LYS 91 -33.411 12.125 -15.720 674 HA LYS 91 HA LYS 91 -34.203 12.809 -18.523 675 HB2 LYS 91 HB2 LYS 91 -35.394 11.200 -16.266 676 HB3 LYS 91 HB3 LYS 91 -36.489 12.019 -17.386 677 HG2 LYS 91 HG2 LYS 91 -36.218 9.790 -18.183 678 HG3 LYS 91 HG3 LYS 91 -35.355 10.873 -19.289 679 HD2 LYS 91 HD2 LYS 91 -33.226 10.295 -18.073 680 HD3 LYS 91 HD3 LYS 91 -34.120 9.134 -17.099 681 HE2 LYS 91 HE2 LYS 91 -33.066 7.945 -18.891 682 HE3 LYS 91 HE3 LYS 91 -34.818 7.977 -19.202 683 HZ1 LYS 91 HZ1 LYS 91 -32.837 9.849 -20.391 684 HZ2 LYS 91 HZ2 LYS 91 -34.458 9.841 -20.702 685 HZ3 LYS 91 HZ3 LYS 91 -33.521 8.569 -21.180 Start of MODEL 14 1 H1 GLY 1 H GLY 1 8.610 -0.483 -9.146 2 HA2 GLY 1 HA2 GLY 1 8.570 -1.852 -7.230 3 HA3 GLY 1 HA3 GLY 1 6.954 -2.366 -7.771 4 H ALA 2 H ALA 2 8.160 -4.376 -6.573 5 HA ALA 2 HA ALA 2 9.933 -5.834 -8.357 6 HB1 ALA 2 HB1 ALA 2 9.984 -6.124 -5.877 7 HB2 ALA 2 HB2 ALA 2 8.328 -6.776 -5.914 8 HB3 ALA 2 HB3 ALA 2 9.652 -7.667 -6.699 9 H MET 3 H MET 3 6.463 -5.605 -7.799 10 HA MET 3 HA MET 3 5.746 -8.000 -9.219 11 HB2 MET 3 HB2 MET 3 4.109 -5.511 -8.677 12 HB3 MET 3 HB3 MET 3 3.485 -7.092 -9.118 13 HG2 MET 3 HG2 MET 3 3.102 -7.073 -6.865 14 HG3 MET 3 HG3 MET 3 4.689 -7.867 -6.913 15 HE1 MET 3 HE1 MET 3 5.106 -7.288 -4.306 16 HE2 MET 3 HE2 MET 3 4.877 -5.654 -3.634 17 HE3 MET 3 HE3 MET 3 3.479 -6.544 -4.266 18 H ALA 4 H ALA 4 4.897 -8.179 -11.306 19 HA ALA 4 HA ALA 4 5.952 -6.425 -13.313 20 HB1 ALA 4 HB1 ALA 4 5.371 -8.803 -13.814 21 HB2 ALA 4 HB2 ALA 4 3.661 -8.477 -13.454 22 HB3 ALA 4 HB3 ALA 4 4.433 -7.724 -14.867 23 H LYS 5 H LYS 5 4.874 -4.793 -14.515 24 HA LYS 5 HA LYS 5 2.833 -3.340 -13.063 25 HB2 LYS 5 HB2 LYS 5 2.933 -1.741 -14.853 26 HB3 LYS 5 HB3 LYS 5 4.576 -2.217 -14.411 27 HG2 LYS 5 HG2 LYS 5 4.643 -3.714 -16.395 28 HG3 LYS 5 HG3 LYS 5 3.017 -3.197 -16.853 29 HD2 LYS 5 HD2 LYS 5 5.430 -1.323 -16.564 30 HD3 LYS 5 HD3 LYS 5 4.912 -2.036 -18.099 31 HE2 LYS 5 HE2 LYS 5 3.259 -0.148 -16.366 32 HE3 LYS 5 HE3 LYS 5 4.066 0.265 -17.889 33 HZ1 LYS 5 HZ1 LYS 5 1.742 -0.140 -18.277 34 HZ2 LYS 5 HZ2 LYS 5 1.792 -1.635 -17.564 35 HZ3 LYS 5 HZ3 LYS 5 2.596 -1.363 -18.986 36 H ALA 6 H ALA 6 0.714 -2.822 -13.880 37 HA ALA 6 HA ALA 6 -0.720 -5.047 -15.006 38 HB1 ALA 6 HB1 ALA 6 -2.658 -3.521 -14.958 39 HB2 ALA 6 HB2 ALA 6 -1.733 -3.350 -13.431 40 HB3 ALA 6 HB3 ALA 6 -1.578 -2.118 -14.720 41 HA PRO 7 HA PRO 7 0.015 -3.941 -19.276 42 HB2 PRO 7 HB2 PRO 7 -2.168 -4.906 -20.560 43 HB3 PRO 7 HB3 PRO 7 -0.969 -6.007 -19.808 44 HG2 PRO 7 HG2 PRO 7 -3.584 -4.992 -18.668 45 HG3 PRO 7 HG3 PRO 7 -2.994 -6.693 -18.799 46 HD2 PRO 7 HD2 PRO 7 -2.750 -5.253 -16.513 47 HD3 PRO 7 HD3 PRO 7 -1.462 -6.401 -17.040 48 H GLU 8 H GLU 8 -0.716 -2.479 -20.944 49 HA GLU 8 HA GLU 8 -2.200 -0.233 -19.825 50 HB2 GLU 8 HB2 GLU 8 -0.858 -0.709 -22.514 51 HB3 GLU 8 HB3 GLU 8 -1.650 0.820 -22.051 52 HG2 GLU 8 HG2 GLU 8 0.790 -0.452 -20.754 53 HG3 GLU 8 HG3 GLU 8 0.754 1.011 -21.749 54 H SER 9 H SER 9 -4.015 0.774 -20.814 55 HA SER 9 HA SER 9 -5.958 -1.206 -21.717 56 HB2 SER 9 HB2 SER 9 -6.184 1.793 -21.316 57 HB3 SER 9 HB3 SER 9 -7.544 0.705 -21.625 58 HG SER 9 HG SER 9 -5.773 0.163 -19.503 59 H ALA 10 H ALA 10 -7.112 -1.197 -23.676 60 HA ALA 10 HA ALA 10 -5.547 -0.652 -25.975 61 HB1 ALA 10 HB1 ALA 10 -7.599 -1.321 -27.239 62 HB2 ALA 10 HB2 ALA 10 -7.269 -2.429 -25.893 63 HB3 ALA 10 HB3 ALA 10 -8.554 -1.210 -25.745 64 H THR 11 H THR 11 -7.858 1.355 -24.263 65 HA THR 11 HA THR 11 -8.666 3.038 -26.370 66 HB THR 11 HB THR 11 -8.220 4.204 -23.646 67 HG1 THR 11 HG1 THR 11 -10.294 2.825 -23.241 68 HG21 THR 11 HG21 THR 11 -9.597 5.324 -25.426 69 HG22 THR 11 HG22 THR 11 -10.486 4.986 -23.919 70 HG23 THR 11 HG23 THR 11 -10.728 3.942 -25.343 71 H GLU 12 H GLU 12 -5.770 3.265 -24.279 72 HA GLU 12 HA GLU 12 -5.242 5.993 -24.876 73 HB2 GLU 12 HB2 GLU 12 -4.040 3.991 -23.284 74 HB3 GLU 12 HB3 GLU 12 -2.788 4.438 -24.458 75 HG2 GLU 12 HG2 GLU 12 -4.036 6.828 -23.463 76 HG3 GLU 12 HG3 GLU 12 -3.573 5.786 -22.088 77 H LYS 13 H LYS 13 -4.107 3.088 -26.618 78 HA LYS 13 HA LYS 13 -2.346 4.618 -28.331 79 HB2 LYS 13 HB2 LYS 13 -2.357 2.635 -29.794 80 HB3 LYS 13 HB3 LYS 13 -1.929 2.268 -28.119 81 HG2 LYS 13 HG2 LYS 13 -4.169 1.420 -27.716 82 HG3 LYS 13 HG3 LYS 13 -4.663 1.801 -29.378 83 HD2 LYS 13 HD2 LYS 13 -2.893 0.243 -30.199 84 HD3 LYS 13 HD3 LYS 13 -2.546 -0.193 -28.516 85 HE2 LYS 13 HE2 LYS 13 -4.907 -0.925 -28.236 86 HE3 LYS 13 HE3 LYS 13 -5.250 -0.465 -29.917 87 HZ1 LYS 13 HZ1 LYS 13 -3.313 -2.556 -29.089 88 HZ2 LYS 13 HZ2 LYS 13 -3.678 -2.136 -30.650 89 HZ3 LYS 13 HZ3 LYS 13 -4.825 -2.828 -29.685 90 H VAL 14 H VAL 14 -5.812 3.894 -28.466 91 HA VAL 14 HA VAL 14 -6.077 4.602 -31.272 92 HB VAL 14 HB VAL 14 -8.176 4.634 -29.036 93 HG11 VAL 14 HG11 VAL 14 -8.892 6.001 -30.955 94 HG12 VAL 14 HG12 VAL 14 -8.495 4.672 -32.090 95 HG13 VAL 14 HG13 VAL 14 -9.809 4.490 -30.906 96 HG21 VAL 14 HG21 VAL 14 -7.202 2.381 -29.344 97 HG22 VAL 14 HG22 VAL 14 -8.861 2.424 -29.950 98 HG23 VAL 14 HG23 VAL 14 -7.491 2.456 -31.095 99 H LEU 15 H LEU 15 -6.485 6.217 -28.125 100 HA LEU 15 HA LEU 15 -7.274 8.773 -29.107 101 HB2 LEU 15 HB2 LEU 15 -5.888 7.817 -26.609 102 HB3 LEU 15 HB3 LEU 15 -6.315 9.499 -26.826 103 HG LEU 15 HG LEU 15 -8.341 7.217 -26.947 104 HD11 LEU 15 HD11 LEU 15 -7.160 7.057 -24.858 105 HD12 LEU 15 HD12 LEU 15 -8.742 7.789 -24.528 106 HD13 LEU 15 HD13 LEU 15 -7.286 8.815 -24.586 107 HD21 LEU 15 HD21 LEU 15 -9.109 9.413 -27.856 108 HD22 LEU 15 HD22 LEU 15 -8.629 10.199 -26.334 109 HD23 LEU 15 HD23 LEU 15 -9.959 9.009 -26.338 110 H CYS 16 H CYS 16 -4.069 7.411 -28.321 111 HA CYS 16 HA CYS 16 -2.543 9.755 -28.812 112 HB2 CYS 16 HB2 CYS 16 -2.074 6.896 -28.491 113 HB3 CYS 16 HB3 CYS 16 -1.043 7.550 -29.779 114 HG CYS 16 HG CYS 16 -1.201 8.068 -26.535 115 H ALA 17 H ALA 17 -3.597 7.171 -31.114 116 HA ALA 17 HA ALA 17 -2.231 8.390 -33.350 117 HB1 ALA 17 HB1 ALA 17 -4.667 6.505 -33.266 118 HB2 ALA 17 HB2 ALA 17 -3.651 6.853 -34.694 119 HB3 ALA 17 HB3 ALA 17 -2.954 6.014 -33.296 120 H LEU 18 H LEU 18 -5.608 8.668 -32.101 121 HA LEU 18 HA LEU 18 -6.525 10.282 -34.290 122 HB2 LEU 18 HB2 LEU 18 -7.464 10.039 -31.413 123 HB3 LEU 18 HB3 LEU 18 -8.267 11.080 -32.607 124 HG LEU 18 HG LEU 18 -8.000 8.048 -32.791 125 HD11 LEU 18 HD11 LEU 18 -10.378 9.863 -32.306 126 HD12 LEU 18 HD12 LEU 18 -9.571 8.857 -31.087 127 HD13 LEU 18 HD13 LEU 18 -10.422 8.094 -32.441 128 HD21 LEU 18 HD21 LEU 18 -7.970 8.774 -35.054 129 HD22 LEU 18 HD22 LEU 18 -9.109 10.111 -34.730 130 HD23 LEU 18 HD23 LEU 18 -9.673 8.441 -34.720 131 H TYR 19 H TYR 19 -4.695 11.134 -31.357 132 HA TYR 19 HA TYR 19 -5.107 13.985 -31.549 133 HB2 TYR 19 HB2 TYR 19 -3.006 12.127 -30.423 134 HB3 TYR 19 HB3 TYR 19 -2.500 13.826 -30.699 135 HD1 TYR 19 HD1 TYR 19 -5.815 12.412 -29.395 136 HD2 TYR 19 HD2 TYR 19 -2.271 14.782 -28.590 137 HE1 TYR 19 HE1 TYR 19 -6.721 13.070 -27.179 138 HE2 TYR 19 HE2 TYR 19 -3.224 15.416 -26.400 139 HH TYR 19 HH TYR 19 -4.986 15.205 -24.922 140 H ALA 20 H ALA 20 -2.703 11.774 -33.121 141 HA ALA 20 HA ALA 20 -1.315 13.845 -34.460 142 HB1 ALA 20 HB1 ALA 20 -0.459 12.031 -35.896 143 HB2 ALA 20 HB2 ALA 20 -0.548 11.457 -34.212 144 HB3 ALA 20 HB3 ALA 20 -1.786 10.963 -35.378 145 H GLU 21 H GLU 21 -4.156 11.899 -35.475 146 HA GLU 21 HA GLU 21 -4.303 12.861 -38.169 147 HB2 GLU 21 HB2 GLU 21 -6.478 11.984 -36.221 148 HB3 GLU 21 HB3 GLU 21 -6.728 12.187 -37.972 149 HG2 GLU 21 HG2 GLU 21 -4.674 10.281 -36.807 150 HG3 GLU 21 HG3 GLU 21 -6.359 9.806 -37.077 151 H ILE 22 H ILE 22 -5.447 14.317 -35.150 152 HA ILE 22 HA ILE 22 -7.000 16.391 -36.558 153 HB ILE 22 HB ILE 22 -6.435 15.829 -33.612 154 HG12 ILE 22 HG12 ILE 22 -7.833 14.124 -34.672 155 HG13 ILE 22 HG13 ILE 22 -8.777 14.930 -33.616 156 HG21 ILE 22 HG21 ILE 22 -8.206 17.948 -34.873 157 HG22 ILE 22 HG22 ILE 22 -8.459 17.366 -33.211 158 HG23 ILE 22 HG23 ILE 22 -6.918 18.125 -33.653 159 HD11 ILE 22 HD11 ILE 22 -8.794 15.180 -36.660 160 HD12 ILE 22 HD12 ILE 22 -10.106 14.611 -35.621 161 HD13 ILE 22 HD13 ILE 22 -9.728 16.313 -35.598 162 H LEU 23 H LEU 23 -4.007 16.140 -34.696 163 HA LEU 23 HA LEU 23 -3.663 19.070 -34.694 164 HB2 LEU 23 HB2 LEU 23 -1.964 16.797 -33.619 165 HB3 LEU 23 HB3 LEU 23 -1.580 18.518 -33.416 166 HG LEU 23 HG LEU 23 -4.200 17.323 -32.432 167 HD11 LEU 23 HD11 LEU 23 -3.142 17.153 -30.237 168 HD12 LEU 23 HD12 LEU 23 -1.581 17.565 -30.987 169 HD13 LEU 23 HD13 LEU 23 -2.397 16.070 -31.437 170 HD21 LEU 23 HD21 LEU 23 -4.141 19.735 -32.559 171 HD22 LEU 23 HD22 LEU 23 -2.603 19.786 -31.679 172 HD23 LEU 23 HD23 LEU 23 -4.085 19.235 -30.857 173 H GLY 24 H GLY 24 -2.559 16.338 -36.570 174 HA2 GLY 24 HA2 GLY 24 -1.369 16.374 -38.553 175 HA3 GLY 24 HA3 GLY 24 -1.259 18.127 -38.423 176 H VAL 25 H VAL 25 -0.167 16.095 -35.801 177 HA VAL 25 HA VAL 25 2.594 17.038 -36.323 178 HB VAL 25 HB VAL 25 3.036 16.310 -33.977 179 HG11 VAL 25 HG11 VAL 25 1.787 18.124 -32.883 180 HG12 VAL 25 HG12 VAL 25 2.414 18.633 -34.477 181 HG13 VAL 25 HG13 VAL 25 0.702 18.215 -34.281 182 HG21 VAL 25 HG21 VAL 25 1.275 15.663 -32.460 183 HG22 VAL 25 HG22 VAL 25 0.030 15.890 -33.725 184 HG23 VAL 25 HG23 VAL 25 1.195 14.570 -33.858 185 H GLU 26 H GLU 26 4.374 15.610 -36.123 186 HA GLU 26 HA GLU 26 3.897 13.255 -37.697 187 HB2 GLU 26 HB2 GLU 26 6.241 12.949 -37.642 188 HB3 GLU 26 HB3 GLU 26 5.900 14.663 -37.809 189 HG2 GLU 26 HG2 GLU 26 6.885 13.240 -35.308 190 HG3 GLU 26 HG3 GLU 26 7.844 14.290 -36.373 191 H ARG 27 H ARG 27 4.343 13.712 -34.271 192 HA ARG 27 HA ARG 27 3.569 10.890 -33.853 193 HB2 ARG 27 HB2 ARG 27 5.348 10.375 -32.312 194 HB3 ARG 27 HB3 ARG 27 6.046 10.830 -33.873 195 HG2 ARG 27 HG2 ARG 27 6.816 12.902 -33.068 196 HG3 ARG 27 HG3 ARG 27 5.739 12.858 -31.668 197 HD2 ARG 27 HD2 ARG 27 7.014 10.824 -30.855 198 HD3 ARG 27 HD3 ARG 27 8.222 11.199 -32.111 199 HE ARG 27 HE ARG 27 8.900 13.056 -30.887 200 HH11 ARG 27 HH11 ARG 27 5.880 11.843 -29.458 201 HH12 ARG 27 HH12 ARG 27 5.991 12.938 -28.095 202 HH21 ARG 27 HH21 ARG 27 8.959 14.391 -29.097 203 HH22 ARG 27 HH22 ARG 27 7.672 14.330 -27.907 204 H VAL 28 H VAL 28 3.088 10.418 -31.547 205 HA VAL 28 HA VAL 28 2.434 12.825 -29.937 206 HB VAL 28 HB VAL 28 0.506 10.495 -30.302 207 HG11 VAL 28 HG11 VAL 28 0.310 11.729 -28.180 208 HG12 VAL 28 HG12 VAL 28 0.133 13.242 -29.069 209 HG13 VAL 28 HG13 VAL 28 -1.125 11.978 -29.201 210 HG21 VAL 28 HG21 VAL 28 -0.889 12.045 -31.629 211 HG22 VAL 28 HG22 VAL 28 0.434 13.226 -31.607 212 HG23 VAL 28 HG23 VAL 28 0.638 11.660 -32.439 213 H GLY 29 H GLY 29 2.886 12.543 -27.806 214 HA2 GLY 29 HA2 GLY 29 3.806 9.786 -26.934 215 HA3 GLY 29 HA3 GLY 29 4.361 11.330 -26.186 216 H VAL 30 H VAL 30 3.286 9.317 -24.606 217 HA VAL 30 HA VAL 30 0.500 9.443 -24.241 218 HB VAL 30 HB VAL 30 0.972 8.466 -21.987 219 HG11 VAL 30 HG11 VAL 30 0.810 7.034 -23.994 220 HG12 VAL 30 HG12 VAL 30 2.564 7.261 -24.291 221 HG13 VAL 30 HG13 VAL 30 2.016 6.398 -22.853 222 HG21 VAL 30 HG21 VAL 30 3.064 9.698 -21.421 223 HG22 VAL 30 HG22 VAL 30 3.271 7.948 -21.292 224 HG23 VAL 30 HG23 VAL 30 3.916 8.794 -22.698 225 H ASP 31 H ASP 31 2.952 11.654 -23.234 226 HA ASP 31 HA ASP 31 1.114 13.002 -21.354 227 HB2 ASP 31 HB2 ASP 31 4.113 13.156 -21.719 228 HB3 ASP 31 HB3 ASP 31 3.256 14.302 -20.657 229 H ASP 32 H ASP 32 1.398 13.224 -24.519 230 HA ASP 32 HA ASP 32 2.409 15.938 -24.784 231 HB2 ASP 32 HB2 ASP 32 1.558 13.777 -26.646 232 HB3 ASP 32 HB3 ASP 32 1.173 15.414 -27.162 233 H ALA 33 H ALA 33 1.280 17.671 -24.235 234 HA ALA 33 HA ALA 33 -1.582 17.470 -23.816 235 HB1 ALA 33 HB1 ALA 33 -0.146 18.820 -22.335 236 HB2 ALA 33 HB2 ALA 33 0.310 19.840 -23.717 237 HB3 ALA 33 HB3 ALA 33 -1.358 19.852 -23.129 238 H PHE 34 H PHE 34 -3.068 17.693 -25.247 239 HA PHE 34 HA PHE 34 -2.902 18.170 -27.948 240 HB2 PHE 34 HB2 PHE 34 -4.845 17.321 -26.621 241 HB3 PHE 34 HB3 PHE 34 -5.159 18.974 -26.102 242 HD1 PHE 34 HD1 PHE 34 -5.029 16.640 -29.046 243 HD2 PHE 34 HD2 PHE 34 -6.381 20.461 -27.577 244 HE1 PHE 34 HE1 PHE 34 -6.468 16.928 -31.072 245 HE2 PHE 34 HE2 PHE 34 -7.845 20.749 -29.586 246 HZ PHE 34 HZ PHE 34 -7.863 18.941 -31.350 247 H HIS 35 H HIS 35 -3.388 20.776 -25.472 248 HA HIS 35 HA HIS 35 -3.804 22.755 -27.539 249 HB2 HIS 35 HB2 HIS 35 -3.876 24.384 -25.782 250 HB3 HIS 35 HB3 HIS 35 -4.790 22.949 -25.299 251 HD1 HIS 35 HD1 HIS 35 -4.323 22.186 -22.918 252 HD2 HIS 35 HD2 HIS 35 -1.086 24.251 -24.580 253 HE1 HIS 35 HE1 HIS 35 -2.500 22.280 -21.148 254 H ASP 36 H ASP 36 -0.862 21.467 -26.124 255 HA ASP 36 HA ASP 36 0.647 23.934 -26.743 256 HB2 ASP 36 HB2 ASP 36 1.460 21.220 -25.673 257 HB3 ASP 36 HB3 ASP 36 2.631 22.511 -26.045 258 H LEU 37 H LEU 37 -0.305 20.978 -28.218 259 HA LEU 37 HA LEU 37 1.692 21.127 -30.366 260 HB2 LEU 37 HB2 LEU 37 -0.719 19.334 -29.928 261 HB3 LEU 37 HB3 LEU 37 0.487 19.138 -31.192 262 HG LEU 37 HG LEU 37 0.940 18.770 -28.215 263 HD11 LEU 37 HD11 LEU 37 1.285 16.350 -29.062 264 HD12 LEU 37 HD12 LEU 37 0.506 16.866 -30.554 265 HD13 LEU 37 HD13 LEU 37 -0.391 16.960 -29.021 266 HD21 LEU 37 HD21 LEU 37 3.113 17.855 -28.786 267 HD22 LEU 37 HD22 LEU 37 2.962 19.585 -29.242 268 HD23 LEU 37 HD23 LEU 37 2.857 18.289 -30.523 269 H GLY 38 H GLY 38 -0.454 23.250 -29.774 270 HA2 GLY 38 HA2 GLY 38 -1.296 24.811 -31.288 271 HA3 GLY 38 HA3 GLY 38 -1.190 23.632 -32.587 272 H GLY 39 H GLY 39 -2.768 22.180 -30.008 273 HA2 GLY 39 HA2 GLY 39 -5.200 22.005 -31.439 274 HA3 GLY 39 HA3 GLY 39 -4.944 21.497 -29.773 275 H SER 40 H SER 40 -7.272 22.712 -30.942 276 HA SER 40 HA SER 40 -7.529 25.067 -29.169 277 HB2 SER 40 HB2 SER 40 -7.044 26.022 -31.394 278 HB3 SER 40 HB3 SER 40 -8.211 24.935 -32.143 279 HG SER 40 HG SER 40 -8.741 27.308 -31.431 280 H SER 41 H SER 41 -9.929 25.559 -28.857 281 HA SER 41 HA SER 41 -11.384 23.184 -28.295 282 HB2 SER 41 HB2 SER 41 -12.520 25.947 -28.763 283 HB3 SER 41 HB3 SER 41 -13.250 24.634 -27.806 284 HG SER 41 HG SER 41 -12.135 26.175 -26.502 285 H ALA 42 H ALA 42 -11.135 25.196 -31.177 286 HA ALA 42 HA ALA 42 -13.417 24.185 -32.548 287 HB1 ALA 42 HB1 ALA 42 -10.777 25.198 -33.683 288 HB2 ALA 42 HB2 ALA 42 -12.305 25.044 -34.586 289 HB3 ALA 42 HB3 ALA 42 -12.174 26.222 -33.240 290 H LEU 43 H LEU 43 -10.031 23.066 -32.314 291 HA LEU 43 HA LEU 43 -10.473 20.860 -34.177 292 HB2 LEU 43 HB2 LEU 43 -8.209 21.525 -32.284 293 HB3 LEU 43 HB3 LEU 43 -8.194 20.167 -33.406 294 HG LEU 43 HG LEU 43 -8.417 23.071 -34.285 295 HD11 LEU 43 HD11 LEU 43 -5.988 21.255 -34.101 296 HD12 LEU 43 HD12 LEU 43 -6.275 22.774 -33.211 297 HD13 LEU 43 HD13 LEU 43 -6.019 22.813 -34.969 298 HD21 LEU 43 HD21 LEU 43 -7.749 22.117 -36.491 299 HD22 LEU 43 HD22 LEU 43 -9.299 21.467 -35.928 300 HD23 LEU 43 HD23 LEU 43 -7.821 20.484 -35.808 301 H ALA 44 H ALA 44 -10.659 21.392 -30.691 302 HA ALA 44 HA ALA 44 -10.520 18.671 -29.880 303 HB1 ALA 44 HB1 ALA 44 -10.433 20.527 -28.269 304 HB2 ALA 44 HB2 ALA 44 -12.099 21.008 -28.706 305 HB3 ALA 44 HB3 ALA 44 -11.798 19.454 -27.892 306 H MET 45 H MET 45 -13.205 20.659 -31.135 307 HA MET 45 HA MET 45 -15.263 18.673 -30.734 308 HB2 MET 45 HB2 MET 45 -15.027 20.894 -32.806 309 HB3 MET 45 HB3 MET 45 -16.475 19.879 -32.603 310 HG2 MET 45 HG2 MET 45 -15.260 21.662 -30.416 311 HG3 MET 45 HG3 MET 45 -16.683 22.044 -31.412 312 HE1 MET 45 HE1 MET 45 -16.922 22.195 -28.264 313 HE2 MET 45 HE2 MET 45 -18.263 22.478 -29.408 314 HE3 MET 45 HE3 MET 45 -18.487 21.355 -28.060 315 H ARG 46 H ARG 46 -12.843 19.139 -33.334 316 HA ARG 46 HA ARG 46 -13.998 17.145 -35.092 317 HB2 ARG 46 HB2 ARG 46 -11.166 18.159 -34.940 318 HB3 ARG 46 HB3 ARG 46 -11.867 17.138 -36.203 319 HG2 ARG 46 HG2 ARG 46 -13.577 19.008 -36.554 320 HG3 ARG 46 HG3 ARG 46 -12.434 20.014 -35.607 321 HD2 ARG 46 HD2 ARG 46 -10.649 18.965 -37.054 322 HD3 ARG 46 HD3 ARG 46 -11.952 18.529 -38.172 323 HE ARG 46 HE ARG 46 -12.257 21.263 -37.589 324 HH11 ARG 46 HH11 ARG 46 -9.851 19.246 -39.205 325 HH12 ARG 46 HH12 ARG 46 -9.358 20.531 -40.283 326 HH21 ARG 46 HH21 ARG 46 -11.554 22.850 -38.976 327 HH22 ARG 46 HH22 ARG 46 -10.301 22.528 -40.147 328 H LEU 47 H LEU 47 -11.567 17.124 -32.509 329 HA LEU 47 HA LEU 47 -10.706 14.429 -32.861 330 HB2 LEU 47 HB2 LEU 47 -9.531 16.130 -31.442 331 HB3 LEU 47 HB3 LEU 47 -10.858 16.098 -30.362 332 HG LEU 47 HG LEU 47 -10.366 13.718 -29.829 333 HD11 LEU 47 HD11 LEU 47 -8.192 12.764 -30.452 334 HD12 LEU 47 HD12 LEU 47 -7.830 14.212 -31.450 335 HD13 LEU 47 HD13 LEU 47 -9.148 13.120 -31.917 336 HD21 LEU 47 HD21 LEU 47 -8.001 15.584 -29.416 337 HD22 LEU 47 HD22 LEU 47 -8.486 14.208 -28.388 338 HD23 LEU 47 HD23 LEU 47 -9.529 15.658 -28.492 339 H ILE 48 H ILE 48 -13.222 15.873 -30.838 340 HA ILE 48 HA ILE 48 -14.114 13.428 -29.650 341 HB ILE 48 HB ILE 48 -15.594 16.050 -30.218 342 HG12 ILE 48 HG12 ILE 48 -14.595 14.979 -27.557 343 HG13 ILE 48 HG13 ILE 48 -13.540 15.900 -28.620 344 HG21 ILE 48 HG21 ILE 48 -16.466 13.674 -28.510 345 HG22 ILE 48 HG22 ILE 48 -17.253 15.247 -28.486 346 HG23 ILE 48 HG23 ILE 48 -17.278 14.265 -29.964 347 HD11 ILE 48 HD11 ILE 48 -14.432 17.378 -27.019 348 HD12 ILE 48 HD12 ILE 48 -15.197 17.780 -28.566 349 HD13 ILE 48 HD13 ILE 48 -16.103 16.847 -27.321 350 H ALA 49 H ALA 49 -15.022 15.057 -32.740 351 HA ALA 49 HA ALA 49 -17.110 13.233 -33.342 352 HB1 ALA 49 HB1 ALA 49 -16.761 15.378 -34.552 353 HB2 ALA 49 HB2 ALA 49 -15.291 14.724 -35.298 354 HB3 ALA 49 HB3 ALA 49 -16.883 14.000 -35.678 355 H ARG 50 H ARG 50 -13.561 13.056 -34.051 356 HA ARG 50 HA ARG 50 -13.716 10.624 -35.576 357 HB2 ARG 50 HB2 ARG 50 -11.591 12.091 -34.024 358 HB3 ARG 50 HB3 ARG 50 -11.334 10.506 -34.646 359 HG2 ARG 50 HG2 ARG 50 -12.267 12.738 -36.387 360 HG3 ARG 50 HG3 ARG 50 -10.564 12.438 -36.076 361 HD2 ARG 50 HD2 ARG 50 -11.174 9.955 -36.846 362 HD3 ARG 50 HD3 ARG 50 -12.521 10.788 -37.640 363 HE ARG 50 HE ARG 50 -10.843 12.171 -38.816 364 HH11 ARG 50 HH11 ARG 50 -9.654 9.136 -37.470 365 HH12 ARG 50 HH12 ARG 50 -8.245 9.157 -38.494 366 HH21 ARG 50 HH21 ARG 50 -9.023 12.091 -40.076 367 HH22 ARG 50 HH22 ARG 50 -7.873 10.765 -39.888 368 H ILE 51 H ILE 51 -13.531 11.317 -32.080 369 HA ILE 51 HA ILE 51 -12.855 8.666 -31.272 370 HB ILE 51 HB ILE 51 -14.193 10.916 -29.757 371 HG12 ILE 51 HG12 ILE 51 -11.450 9.593 -29.421 372 HG13 ILE 51 HG13 ILE 51 -11.697 10.964 -30.476 373 HG21 ILE 51 HG21 ILE 51 -13.434 8.139 -28.864 374 HG22 ILE 51 HG22 ILE 51 -13.655 9.469 -27.741 375 HG23 ILE 51 HG23 ILE 51 -15.020 8.927 -28.744 376 HD11 ILE 51 HD11 ILE 51 -10.832 11.810 -28.392 377 HD12 ILE 51 HD12 ILE 51 -12.544 12.285 -28.472 378 HD13 ILE 51 HD13 ILE 51 -12.029 10.899 -27.466 379 H ARG 52 H ARG 52 -15.915 10.189 -32.161 380 HA ARG 52 HA ARG 52 -17.530 7.982 -31.247 381 HB2 ARG 52 HB2 ARG 52 -18.045 9.930 -33.467 382 HB3 ARG 52 HB3 ARG 52 -19.194 8.817 -32.758 383 HG2 ARG 52 HG2 ARG 52 -19.060 9.973 -30.628 384 HG3 ARG 52 HG3 ARG 52 -17.807 11.037 -31.321 385 HD2 ARG 52 HD2 ARG 52 -19.616 12.425 -31.984 386 HD3 ARG 52 HD3 ARG 52 -19.803 11.160 -33.127 387 HE ARG 52 HE ARG 52 -20.960 10.759 -30.381 388 HH11 ARG 52 HH11 ARG 52 -21.702 11.971 -33.681 389 HH12 ARG 52 HH12 ARG 52 -23.418 11.923 -33.383 390 HH21 ARG 52 HH21 ARG 52 -23.148 10.789 -30.110 391 HH22 ARG 52 HH22 ARG 52 -24.205 11.281 -31.426 392 H GLU 53 H GLU 53 -15.606 8.413 -34.068 393 HA GLU 53 HA GLU 53 -16.976 6.385 -35.625 394 HB2 GLU 53 HB2 GLU 53 -14.240 7.717 -35.925 395 HB3 GLU 53 HB3 GLU 53 -14.988 6.656 -37.138 396 HG2 GLU 53 HG2 GLU 53 -16.716 8.268 -37.573 397 HG3 GLU 53 HG3 GLU 53 -16.256 9.235 -36.175 398 H GLU 54 H GLU 54 -14.048 6.776 -33.620 399 HA GLU 54 HA GLU 54 -13.197 4.082 -34.139 400 HB2 GLU 54 HB2 GLU 54 -12.131 6.252 -32.358 401 HB3 GLU 54 HB3 GLU 54 -11.345 4.666 -32.511 402 HG2 GLU 54 HG2 GLU 54 -11.818 6.585 -34.848 403 HG3 GLU 54 HG3 GLU 54 -10.308 6.428 -33.933 404 H LEU 55 H LEU 55 -14.511 5.729 -31.258 405 HA LEU 55 HA LEU 55 -14.385 3.098 -29.835 406 HB2 LEU 55 HB2 LEU 55 -14.814 5.851 -28.643 407 HB3 LEU 55 HB3 LEU 55 -14.470 4.351 -27.777 408 HG LEU 55 HG LEU 55 -12.521 6.029 -29.400 409 HD11 LEU 55 HD11 LEU 55 -11.425 6.490 -27.293 410 HD12 LEU 55 HD12 LEU 55 -12.484 5.286 -26.436 411 HD13 LEU 55 HD13 LEU 55 -13.199 6.808 -27.093 412 HD21 LEU 55 HD21 LEU 55 -10.710 4.517 -28.551 413 HD22 LEU 55 HD22 LEU 55 -11.819 3.717 -29.689 414 HD23 LEU 55 HD23 LEU 55 -11.983 3.400 -27.950 415 H GLY 56 H GLY 56 -16.476 5.009 -31.498 416 HA2 GLY 56 HA2 GLY 56 -18.775 4.819 -31.751 417 HA3 GLY 56 HA3 GLY 56 -18.744 3.481 -30.598 418 H VAL 57 H VAL 57 -17.459 6.473 -29.439 419 HA VAL 57 HA VAL 57 -20.036 7.168 -28.144 420 HB VAL 57 HB VAL 57 -18.925 7.383 -25.912 421 HG11 VAL 57 HG11 VAL 57 -20.257 5.346 -26.601 422 HG12 VAL 57 HG12 VAL 57 -18.708 4.538 -26.970 423 HG13 VAL 57 HG13 VAL 57 -19.068 5.067 -25.306 424 HG21 VAL 57 HG21 VAL 57 -16.774 6.330 -25.436 425 HG22 VAL 57 HG22 VAL 57 -16.621 5.786 -27.109 426 HG23 VAL 57 HG23 VAL 57 -16.538 7.523 -26.729 427 H ASP 58 H ASP 58 -20.051 9.256 -27.137 428 HA ASP 58 HA ASP 58 -18.301 11.159 -28.575 429 HB2 ASP 58 HB2 ASP 58 -20.141 12.506 -26.888 430 HB3 ASP 58 HB3 ASP 58 -20.175 12.354 -28.641 431 H LEU 59 H LEU 59 -16.391 11.503 -27.615 432 HA LEU 59 HA LEU 59 -15.918 11.208 -24.817 433 HB2 LEU 59 HB2 LEU 59 -14.188 11.083 -26.544 434 HB3 LEU 59 HB3 LEU 59 -14.396 12.766 -26.937 435 HG LEU 59 HG LEU 59 -12.345 11.856 -25.535 436 HD11 LEU 59 HD11 LEU 59 -13.754 14.489 -24.949 437 HD12 LEU 59 HD12 LEU 59 -12.611 14.146 -26.273 438 HD13 LEU 59 HD13 LEU 59 -12.047 14.096 -24.603 439 HD21 LEU 59 HD21 LEU 59 -14.018 12.778 -23.222 440 HD22 LEU 59 HD22 LEU 59 -12.436 11.965 -23.228 441 HD23 LEU 59 HD23 LEU 59 -13.905 11.051 -23.652 442 HA PRO 60 HA PRO 60 -17.854 15.200 -23.660 443 HB2 PRO 60 HB2 PRO 60 -16.711 15.186 -21.144 444 HB3 PRO 60 HB3 PRO 60 -18.372 14.667 -21.462 445 HG2 PRO 60 HG2 PRO 60 -15.992 13.050 -20.899 446 HG3 PRO 60 HG3 PRO 60 -17.687 12.554 -20.861 447 HD2 PRO 60 HD2 PRO 60 -15.776 11.744 -22.843 448 HD3 PRO 60 HD3 PRO 60 -17.614 11.707 -22.962 449 H ILE 61 H ILE 61 -16.995 17.056 -24.254 450 HA ILE 61 HA ILE 61 -14.191 17.406 -24.396 451 HB ILE 61 HB ILE 61 -15.990 18.711 -25.611 452 HG12 ILE 61 HG12 ILE 61 -13.833 20.446 -24.405 453 HG13 ILE 61 HG13 ILE 61 -13.524 19.196 -25.597 454 HG21 ILE 61 HG21 ILE 61 -15.926 20.510 -23.140 455 HG22 ILE 61 HG22 ILE 61 -16.860 20.779 -24.624 456 HG23 ILE 61 HG23 ILE 61 -17.276 19.423 -23.569 457 HD11 ILE 61 HD11 ILE 61 -13.634 21.361 -26.705 458 HD12 ILE 61 HD12 ILE 61 -14.983 20.341 -27.223 459 HD13 ILE 61 HD13 ILE 61 -15.261 21.652 -26.038 460 H ARG 62 H ARG 62 -16.246 17.710 -21.667 461 HA ARG 62 HA ARG 62 -14.701 19.432 -20.077 462 HB2 ARG 62 HB2 ARG 62 -16.483 17.145 -19.308 463 HB3 ARG 62 HB3 ARG 62 -15.864 18.190 -18.142 464 HG2 ARG 62 HG2 ARG 62 -16.890 20.180 -19.356 465 HG3 ARG 62 HG3 ARG 62 -17.788 18.930 -20.298 466 HD2 ARG 62 HD2 ARG 62 -18.636 17.967 -18.180 467 HD3 ARG 62 HD3 ARG 62 -17.857 19.294 -17.290 468 HE ARG 62 HE ARG 62 -19.617 20.290 -19.352 469 HH11 ARG 62 HH11 ARG 62 -19.709 18.912 -16.083 470 HH12 ARG 62 HH12 ARG 62 -21.265 19.651 -15.745 471 HH21 ARG 62 HH21 ARG 62 -21.569 21.222 -18.797 472 HH22 ARG 62 HH22 ARG 62 -22.287 20.888 -17.226 473 H GLN 63 H GLN 63 -14.510 16.075 -20.802 474 HA GLN 63 HA GLN 63 -12.683 15.431 -18.728 475 HB2 GLN 63 HB2 GLN 63 -14.242 14.110 -20.711 476 HB3 GLN 63 HB3 GLN 63 -12.465 13.537 -20.743 477 HG2 GLN 63 HG2 GLN 63 -13.897 12.215 -19.258 478 HG3 GLN 63 HG3 GLN 63 -12.634 13.043 -18.385 479 HE21 GLN 63 HE21 GLN 63 -15.768 14.121 -19.556 480 HE22 GLN 63 HE22 GLN 63 -16.295 14.711 -17.984 481 H LEU 64 H LEU 64 -12.429 16.270 -22.197 482 HA LEU 64 HA LEU 64 -9.607 15.921 -22.521 483 HB2 LEU 64 HB2 LEU 64 -11.421 16.185 -24.296 484 HB3 LEU 64 HB3 LEU 64 -11.400 17.923 -23.932 485 HG LEU 64 HG LEU 64 -8.962 17.943 -24.596 486 HD11 LEU 64 HD11 LEU 64 -8.425 15.558 -24.202 487 HD12 LEU 64 HD12 LEU 64 -8.079 16.051 -25.895 488 HD13 LEU 64 HD13 LEU 64 -9.578 15.104 -25.534 489 HD21 LEU 64 HD21 LEU 64 -10.971 16.958 -26.633 490 HD22 LEU 64 HD22 LEU 64 -9.437 17.842 -27.006 491 HD23 LEU 64 HD23 LEU 64 -10.752 18.655 -26.091 492 H PHE 65 H PHE 65 -11.567 18.788 -21.549 493 HA PHE 65 HA PHE 65 -9.273 20.530 -21.443 494 HB2 PHE 65 HB2 PHE 65 -12.042 20.683 -20.210 495 HB3 PHE 65 HB3 PHE 65 -10.821 21.954 -20.059 496 HD1 PHE 65 HD2 PHE 65 -10.011 20.969 -23.239 497 HD2 PHE 65 HD1 PHE 65 -13.344 22.710 -21.148 498 HE1 PHE 65 HE2 PHE 65 -10.753 22.045 -25.344 499 HE2 PHE 65 HE1 PHE 65 -14.105 23.792 -23.271 500 HZ PHE 65 HZ PHE 65 -12.796 23.463 -25.367 501 H SER 66 H SER 66 -10.763 18.326 -19.099 502 HA SER 66 HA SER 66 -9.326 19.399 -16.833 503 HB2 SER 66 HB2 SER 66 -10.555 16.640 -17.220 504 HB3 SER 66 HB3 SER 66 -10.076 17.364 -15.672 505 HG SER 66 HG SER 66 -12.135 18.238 -17.442 506 H SER 67 H SER 67 -8.612 17.090 -19.383 507 HA SER 67 HA SER 67 -5.864 16.779 -18.342 508 HB2 SER 67 HB2 SER 67 -7.695 14.433 -18.978 509 HB3 SER 67 HB3 SER 67 -5.963 14.331 -18.604 510 HG SER 67 HG SER 67 -7.142 15.779 -16.704 511 HA PRO 68 HA PRO 68 -6.280 17.360 -22.833 512 HB2 PRO 68 HB2 PRO 68 -4.158 18.982 -23.297 513 HB3 PRO 68 HB3 PRO 68 -5.649 19.566 -22.480 514 HG2 PRO 68 HG2 PRO 68 -3.093 18.577 -21.252 515 HG3 PRO 68 HG3 PRO 68 -3.932 20.134 -20.975 516 HD2 PRO 68 HD2 PRO 68 -4.298 18.034 -19.317 517 HD3 PRO 68 HD3 PRO 68 -5.659 19.124 -19.755 518 H THR 69 H THR 69 -4.025 15.520 -21.148 519 HA THR 69 HA THR 69 -2.353 14.979 -23.518 520 HB THR 69 HB THR 69 -1.096 13.495 -21.961 521 HG1 THR 69 HG1 THR 69 -1.724 13.443 -19.789 522 HG21 THR 69 HG21 THR 69 -0.625 15.969 -22.064 523 HG22 THR 69 HG22 THR 69 -0.174 15.195 -20.536 524 HG23 THR 69 HG23 THR 69 -1.664 16.158 -20.627 525 HA PRO 70 HA PRO 70 -4.870 11.634 -24.614 526 HB2 PRO 70 HB2 PRO 70 -3.230 9.675 -25.597 527 HB3 PRO 70 HB3 PRO 70 -3.489 11.234 -26.455 528 HG2 PRO 70 HG2 PRO 70 -1.289 10.497 -24.625 529 HG3 PRO 70 HG3 PRO 70 -1.199 11.164 -26.292 530 HD2 PRO 70 HD2 PRO 70 -0.965 12.799 -24.171 531 HD3 PRO 70 HD3 PRO 70 -1.955 13.290 -25.578 532 H ALA 71 H ALA 71 -2.073 10.644 -22.533 533 HA ALA 71 HA ALA 71 -3.472 8.286 -21.582 534 HB1 ALA 71 HB1 ALA 71 -1.669 8.277 -19.863 535 HB2 ALA 71 HB2 ALA 71 -1.023 8.492 -21.491 536 HB3 ALA 71 HB3 ALA 71 -1.141 9.898 -20.401 537 H GLY 72 H GLY 72 -3.300 11.691 -20.664 538 HA2 GLY 72 HA2 GLY 72 -4.412 11.387 -18.046 539 HA3 GLY 72 HA3 GLY 72 -4.354 12.881 -19.007 540 H VAL 73 H VAL 73 -5.854 12.261 -21.251 541 HA VAL 73 HA VAL 73 -8.452 12.564 -20.109 542 HB VAL 73 HB VAL 73 -7.550 13.435 -22.345 543 HG11 VAL 73 HG11 VAL 73 -8.399 10.786 -23.424 544 HG12 VAL 73 HG12 VAL 73 -7.876 12.206 -24.388 545 HG13 VAL 73 HG13 VAL 73 -6.718 11.380 -23.291 546 HG21 VAL 73 HG21 VAL 73 -9.750 13.539 -23.378 547 HG22 VAL 73 HG22 VAL 73 -10.250 12.084 -22.401 548 HG23 VAL 73 HG23 VAL 73 -9.870 13.674 -21.573 549 H ALA 74 H ALA 74 -6.639 9.753 -21.292 550 HA ALA 74 HA ALA 74 -8.867 7.944 -21.542 551 HB1 ALA 74 HB1 ALA 74 -5.949 7.241 -20.845 552 HB2 ALA 74 HB2 ALA 74 -7.217 6.184 -21.528 553 HB3 ALA 74 HB3 ALA 74 -6.582 7.521 -22.480 554 H ARG 75 H ARG 75 -6.638 8.553 -18.811 555 HA ARG 75 HA ARG 75 -8.076 6.784 -17.203 556 HB2 ARG 75 HB2 ARG 75 -6.841 7.522 -15.351 557 HB3 ARG 75 HB3 ARG 75 -5.795 7.186 -16.759 558 HG2 ARG 75 HG2 ARG 75 -5.734 9.439 -17.302 559 HG3 ARG 75 HG3 ARG 75 -6.666 9.957 -16.054 560 HD2 ARG 75 HD2 ARG 75 -4.007 8.487 -15.900 561 HD3 ARG 75 HD3 ARG 75 -4.282 10.103 -15.397 562 HE ARG 75 HE ARG 75 -5.010 7.965 -13.734 563 HH11 ARG 75 HH11 ARG 75 -5.480 11.383 -14.280 564 HH12 ARG 75 HH12 ARG 75 -5.892 11.682 -12.610 565 HH21 ARG 75 HH21 ARG 75 -5.523 8.440 -11.565 566 HH22 ARG 75 HH22 ARG 75 -5.932 10.086 -11.140 567 H ALA 76 H ALA 76 -8.365 10.165 -17.777 568 HA ALA 76 HA ALA 76 -10.147 10.775 -15.630 569 HB1 ALA 76 HB1 ALA 76 -10.642 12.831 -16.914 570 HB2 ALA 76 HB2 ALA 76 -8.896 12.478 -16.883 571 HB3 ALA 76 HB3 ALA 76 -9.834 12.112 -18.334 572 H LEU 77 H LEU 77 -10.808 9.754 -19.022 573 HA LEU 77 HA LEU 77 -13.650 9.954 -18.547 574 HB2 LEU 77 HB2 LEU 77 -13.968 9.115 -20.755 575 HB3 LEU 77 HB3 LEU 77 -12.665 10.324 -20.756 576 HG LEU 77 HG LEU 77 -11.166 8.110 -20.619 577 HD11 LEU 77 HD11 LEU 77 -13.058 6.518 -20.527 578 HD12 LEU 77 HD12 LEU 77 -12.035 6.281 -21.961 579 HD13 LEU 77 HD13 LEU 77 -13.619 7.117 -22.113 580 HD21 LEU 77 HD21 LEU 77 -12.492 9.011 -23.198 581 HD22 LEU 77 HD22 LEU 77 -10.920 8.208 -23.020 582 HD23 LEU 77 HD23 LEU 77 -11.141 9.846 -22.393 583 H ALA 78 H ALA 78 -11.218 7.380 -18.350 584 HA ALA 78 HA ALA 78 -13.075 5.213 -18.073 585 HB1 ALA 78 HB1 ALA 78 -10.662 4.889 -18.453 586 HB2 ALA 78 HB2 ALA 78 -10.305 5.554 -16.843 587 HB3 ALA 78 HB3 ALA 78 -11.209 4.023 -17.002 588 H ALA 79 H ALA 79 -11.945 7.658 -15.788 589 HA ALA 79 HA ALA 79 -12.787 6.368 -13.388 590 HB1 ALA 79 HB1 ALA 79 -12.672 9.365 -14.008 591 HB2 ALA 79 HB2 ALA 79 -12.690 8.607 -12.402 592 HB3 ALA 79 HB3 ALA 79 -11.295 8.368 -13.484 593 H LYS 80 H LYS 80 -14.725 7.652 -15.963 594 HA LYS 80 HA LYS 80 -17.022 8.341 -14.327 595 HB2 LYS 80 HB2 LYS 80 -16.807 7.567 -17.249 596 HB3 LYS 80 HB3 LYS 80 -18.291 8.118 -16.479 597 HG2 LYS 80 HG2 LYS 80 -15.733 9.730 -16.685 598 HG3 LYS 80 HG3 LYS 80 -17.154 9.925 -17.726 599 HD2 LYS 80 HD2 LYS 80 -18.526 10.506 -15.742 600 HD3 LYS 80 HD3 LYS 80 -17.107 10.302 -14.689 601 HE2 LYS 80 HE2 LYS 80 -15.929 12.055 -16.036 602 HE3 LYS 80 HE3 LYS 80 -17.496 12.396 -16.833 603 HZ1 LYS 80 HZ1 LYS 80 -17.009 12.457 -13.898 604 HZ2 LYS 80 HZ2 LYS 80 -18.419 12.854 -14.652 605 HZ3 LYS 80 HZ3 LYS 80 -17.083 13.792 -14.858 606 H SER 81 H SER 81 -15.779 5.272 -15.502 607 HA SER 81 HA SER 81 -18.278 3.845 -15.101 608 HB2 SER 81 HB2 SER 81 -16.385 2.947 -16.470 609 HB3 SER 81 HB3 SER 81 -15.386 2.846 -15.006 610 HG SER 81 HG SER 81 -16.519 0.857 -15.668 611 H ALA 82 H ALA 82 -15.465 4.691 -13.100 612 HA ALA 82 HA ALA 82 -16.334 3.234 -10.759 613 HB1 ALA 82 HB1 ALA 82 -14.618 4.561 -9.585 614 HB2 ALA 82 HB2 ALA 82 -13.973 3.893 -11.098 615 HB3 ALA 82 HB3 ALA 82 -14.443 5.618 -11.007 616 H SER 83 H SER 83 -17.167 6.259 -12.217 617 HA SER 83 HA SER 83 -18.412 7.360 -9.780 618 HB2 SER 83 HB2 SER 83 -18.531 8.347 -12.651 619 HB3 SER 83 HB3 SER 83 -18.965 9.254 -11.195 620 HG SER 83 HG SER 83 -16.376 8.212 -11.769 621 H TRP 84 H TRP 84 -19.307 4.825 -11.443 622 HA TRP 84 HA TRP 84 -21.251 3.772 -11.894 623 HB2 TRP 84 HB2 TRP 84 -21.521 4.862 -9.483 624 HB3 TRP 84 HB3 TRP 84 -22.871 5.697 -10.271 625 HD1 TRP 84 HD1 TRP 84 -24.924 4.181 -11.049 626 HE1 TRP 84 HE1 TRP 84 -25.755 1.866 -10.431 627 HE3 TRP 84 HE3 TRP 84 -20.640 2.497 -8.842 628 HZ2 TRP 84 HZ2 TRP 84 -24.711 -0.438 -9.088 629 HZ3 TRP 84 HZ3 TRP 84 -20.600 0.175 -7.901 630 HH2 TRP 84 HH2 TRP 84 -22.647 -1.264 -8.013 631 H SER 85 H SER 85 -20.529 5.926 -13.751 632 HA SER 85 HA SER 85 -22.956 7.291 -14.524 633 HB2 SER 85 HB2 SER 85 -20.461 6.642 -16.135 634 HB3 SER 85 HB3 SER 85 -21.729 7.788 -16.620 635 HG SER 85 HG SER 85 -20.318 7.986 -14.167 636 H HIS 86 H HIS 86 -24.480 6.767 -16.083 637 HA HIS 86 HA HIS 86 -24.952 3.988 -16.449 638 HB2 HIS 86 HB2 HIS 86 -26.194 6.350 -17.909 639 HB3 HIS 86 HB3 HIS 86 -26.841 4.720 -17.856 640 HD1 HIS 86 HD1 HIS 86 -27.172 3.933 -15.082 641 HD2 HIS 86 HD2 HIS 86 -27.397 7.953 -16.129 642 HE1 HIS 86 HE1 HIS 86 -28.418 5.097 -13.216 643 HA PRO 87 HA PRO 87 -22.700 3.521 -20.232 644 HB2 PRO 87 HB2 PRO 87 -23.687 1.193 -21.229 645 HB3 PRO 87 HB3 PRO 87 -22.751 1.220 -19.688 646 HG2 PRO 87 HG2 PRO 87 -25.737 1.268 -20.092 647 HG3 PRO 87 HG3 PRO 87 -24.764 0.156 -19.066 648 HD2 PRO 87 HD2 PRO 87 -25.996 2.354 -18.059 649 HD3 PRO 87 HD3 PRO 87 -24.398 1.796 -17.450 650 H GLN 88 H GLN 88 -23.042 3.332 -22.635 651 HA GLN 88 HA GLN 88 -25.342 4.896 -23.517 652 HB2 GLN 88 HB2 GLN 88 -23.089 3.441 -24.968 653 HB3 GLN 88 HB3 GLN 88 -24.376 4.322 -25.801 654 HG2 GLN 88 HG2 GLN 88 -22.403 5.710 -25.687 655 HG3 GLN 88 HG3 GLN 88 -23.685 6.417 -24.702 656 HE21 GLN 88 HE21 GLN 88 -22.758 7.422 -23.054 657 HE22 GLN 88 HE22 GLN 88 -21.521 6.739 -22.006 658 H PHE 89 H PHE 89 -26.925 4.033 -25.091 659 HA PHE 89 HA PHE 89 -27.919 1.445 -24.367 660 HB2 PHE 89 HB2 PHE 89 -28.517 3.182 -26.794 661 HB3 PHE 89 HB3 PHE 89 -29.440 1.746 -26.327 662 HD1 PHE 89 HD1 PHE 89 -30.798 1.749 -24.242 663 HD2 PHE 89 HD2 PHE 89 -28.858 5.324 -25.678 664 HE1 PHE 89 HE1 PHE 89 -32.259 3.120 -22.765 665 HE2 PHE 89 HE2 PHE 89 -30.317 6.703 -24.199 666 HZ PHE 89 HZ PHE 89 -32.035 5.599 -22.751 667 H GLU 90 H GLU 90 -27.687 -0.509 -25.305 668 HA GLU 90 HA GLU 90 -25.387 -1.026 -26.966 669 HB2 GLU 90 HB2 GLU 90 -26.475 -2.461 -25.143 670 HB3 GLU 90 HB3 GLU 90 -27.721 -2.879 -26.329 671 HG2 GLU 90 HG2 GLU 90 -26.133 -4.015 -27.693 672 HG3 GLU 90 HG3 GLU 90 -24.748 -3.332 -26.803 673 H LYS 91 H LYS 91 -25.652 -2.290 -29.086 674 HA LYS 91 HA LYS 91 -28.024 -1.388 -30.667 675 HB2 LYS 91 HB2 LYS 91 -25.100 -1.265 -31.571 676 HB3 LYS 91 HB3 LYS 91 -26.518 -0.871 -32.559 677 HG2 LYS 91 HG2 LYS 91 -25.589 0.666 -30.091 678 HG3 LYS 91 HG3 LYS 91 -25.320 1.145 -31.778 679 HD2 LYS 91 HD2 LYS 91 -27.826 1.241 -32.104 680 HD3 LYS 91 HD3 LYS 91 -28.008 0.862 -30.390 681 HE2 LYS 91 HE2 LYS 91 -26.670 3.306 -31.568 682 HE3 LYS 91 HE3 LYS 91 -28.200 3.253 -30.678 683 HZ1 LYS 91 HZ1 LYS 91 -25.520 2.644 -29.606 684 HZ2 LYS 91 HZ2 LYS 91 -26.903 2.400 -28.754 685 HZ3 LYS 91 HZ3 LYS 91 -26.457 3.931 -29.202 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.589 -7.889 -1.544 2 HA2 GLY 1 HA2 GLY 1 -0.961 -6.246 -1.923 3 HA3 GLY 1 HA3 GLY 1 -0.604 -7.101 -3.433 4 H ALA 2 H ALA 2 -0.271 -4.449 -3.623 5 HA ALA 2 HA ALA 2 -2.728 -3.067 -4.346 6 HB1 ALA 2 HB1 ALA 2 -1.168 -1.309 -5.151 7 HB2 ALA 2 HB2 ALA 2 -0.713 -1.852 -3.521 8 HB3 ALA 2 HB3 ALA 2 0.205 -2.418 -4.940 9 H MET 3 H MET 3 -3.150 -2.300 -6.567 10 HA MET 3 HA MET 3 -2.756 -4.424 -8.549 11 HB2 MET 3 HB2 MET 3 -4.004 -1.653 -8.760 12 HB3 MET 3 HB3 MET 3 -4.033 -2.884 -10.028 13 HG2 MET 3 HG2 MET 3 -5.328 -4.378 -8.554 14 HG3 MET 3 HG3 MET 3 -5.313 -3.134 -7.288 15 HE1 MET 3 HE1 MET 3 -8.053 -4.372 -8.271 16 HE2 MET 3 HE2 MET 3 -7.957 -3.041 -7.089 17 HE3 MET 3 HE3 MET 3 -9.040 -2.908 -8.492 18 H ALA 4 H ALA 4 -1.493 -4.239 -10.426 19 HA ALA 4 HA ALA 4 0.809 -2.464 -10.222 20 HB1 ALA 4 HB1 ALA 4 1.011 -4.783 -11.101 21 HB2 ALA 4 HB2 ALA 4 -0.077 -4.363 -12.448 22 HB3 ALA 4 HB3 ALA 4 1.517 -3.585 -12.316 23 H LYS 5 H LYS 5 1.396 -0.886 -11.839 24 HA LYS 5 HA LYS 5 -0.761 0.774 -12.815 25 HB2 LYS 5 HB2 LYS 5 1.430 1.750 -12.361 26 HB3 LYS 5 HB3 LYS 5 2.214 0.604 -13.450 27 HG2 LYS 5 HG2 LYS 5 2.156 2.772 -14.498 28 HG3 LYS 5 HG3 LYS 5 1.105 1.674 -15.395 29 HD2 LYS 5 HD2 LYS 5 -0.883 2.689 -14.394 30 HD3 LYS 5 HD3 LYS 5 0.128 3.691 -13.333 31 HE2 LYS 5 HE2 LYS 5 -0.669 5.025 -15.238 32 HE3 LYS 5 HE3 LYS 5 1.090 4.838 -15.300 33 HZ1 LYS 5 HZ1 LYS 5 0.791 3.108 -16.986 34 HZ2 LYS 5 HZ2 LYS 5 0.095 4.519 -17.482 35 HZ3 LYS 5 HZ3 LYS 5 -0.842 3.275 -16.935 36 H ALA 6 H ALA 6 -1.979 0.427 -14.583 37 HA ALA 6 HA ALA 6 -1.662 -1.923 -16.144 38 HB1 ALA 6 HB1 ALA 6 -3.852 -0.808 -15.801 39 HB2 ALA 6 HB2 ALA 6 -3.283 0.605 -16.729 40 HB3 ALA 6 HB3 ALA 6 -3.488 -0.965 -17.537 41 HA PRO 7 HA PRO 7 1.245 -0.344 -19.153 42 HB2 PRO 7 HB2 PRO 7 0.982 -2.172 -21.143 43 HB3 PRO 7 HB3 PRO 7 1.652 -2.643 -19.547 44 HG2 PRO 7 HG2 PRO 7 -1.166 -2.905 -20.569 45 HG3 PRO 7 HG3 PRO 7 -0.109 -4.163 -19.848 46 HD2 PRO 7 HD2 PRO 7 -1.954 -2.818 -18.381 47 HD3 PRO 7 HD3 PRO 7 -0.367 -3.305 -17.686 48 H GLU 8 H GLU 8 1.214 0.108 -21.668 49 HA GLU 8 HA GLU 8 -0.842 2.000 -22.215 50 HB2 GLU 8 HB2 GLU 8 1.481 1.956 -23.182 51 HB3 GLU 8 HB3 GLU 8 1.012 0.554 -24.148 52 HG2 GLU 8 HG2 GLU 8 -0.796 1.969 -25.185 53 HG3 GLU 8 HG3 GLU 8 -0.101 3.364 -24.344 54 H SER 9 H SER 9 -2.856 1.706 -22.894 55 HA SER 9 HA SER 9 -3.796 -0.965 -23.637 56 HB2 SER 9 HB2 SER 9 -5.334 1.644 -23.828 57 HB3 SER 9 HB3 SER 9 -5.978 0.008 -23.588 58 HG SER 9 HG SER 9 -4.443 1.605 -21.786 59 H ALA 10 H ALA 10 -4.871 -1.432 -25.689 60 HA ALA 10 HA ALA 10 -3.483 -0.552 -27.990 61 HB1 ALA 10 HB1 ALA 10 -4.764 -2.664 -27.887 62 HB2 ALA 10 HB2 ALA 10 -6.288 -1.745 -27.781 63 HB3 ALA 10 HB3 ALA 10 -5.298 -1.662 -29.258 64 H THR 11 H THR 11 -6.235 0.857 -26.315 65 HA THR 11 HA THR 11 -7.169 2.550 -28.423 66 HB THR 11 HB THR 11 -7.397 3.709 -25.744 67 HG1 THR 11 HG1 THR 11 -8.590 1.796 -24.955 68 HG21 THR 11 HG21 THR 11 -9.022 3.974 -27.634 69 HG22 THR 11 HG22 THR 11 -9.764 3.422 -26.119 70 HG23 THR 11 HG23 THR 11 -9.458 2.256 -27.434 71 H GLU 12 H GLU 12 -4.624 2.902 -25.967 72 HA GLU 12 HA GLU 12 -4.516 5.734 -26.040 73 HB2 GLU 12 HB2 GLU 12 -2.432 3.676 -25.257 74 HB3 GLU 12 HB3 GLU 12 -2.309 5.413 -24.923 75 HG2 GLU 12 HG2 GLU 12 -4.333 5.335 -23.569 76 HG3 GLU 12 HG3 GLU 12 -4.591 3.654 -23.991 77 H LYS 13 H LYS 13 -2.699 3.271 -27.883 78 HA LYS 13 HA LYS 13 -1.023 5.228 -29.187 79 HB2 LYS 13 HB2 LYS 13 -0.575 3.447 -30.852 80 HB3 LYS 13 HB3 LYS 13 -0.277 2.971 -29.174 81 HG2 LYS 13 HG2 LYS 13 -2.355 1.726 -29.085 82 HG3 LYS 13 HG3 LYS 13 -2.767 2.223 -30.733 83 HD2 LYS 13 HD2 LYS 13 -0.299 0.606 -29.995 84 HD3 LYS 13 HD3 LYS 13 -1.829 -0.100 -30.545 85 HE2 LYS 13 HE2 LYS 13 -0.064 1.817 -32.131 86 HE3 LYS 13 HE3 LYS 13 -0.212 0.071 -32.399 87 HZ1 LYS 13 HZ1 LYS 13 -2.553 0.423 -32.961 88 HZ2 LYS 13 HZ2 LYS 13 -1.587 1.325 -33.946 89 HZ3 LYS 13 HZ3 LYS 13 -2.407 2.046 -32.711 90 H VAL 14 H VAL 14 -4.281 4.041 -29.887 91 HA VAL 14 HA VAL 14 -4.313 5.070 -32.606 92 HB VAL 14 HB VAL 14 -6.629 4.446 -30.694 93 HG11 VAL 14 HG11 VAL 14 -6.640 5.006 -33.694 94 HG12 VAL 14 HG12 VAL 14 -8.026 4.388 -32.767 95 HG13 VAL 14 HG13 VAL 14 -7.378 6.006 -32.424 96 HG21 VAL 14 HG21 VAL 14 -5.260 2.461 -31.262 97 HG22 VAL 14 HG22 VAL 14 -6.872 2.377 -31.995 98 HG23 VAL 14 HG23 VAL 14 -5.470 2.819 -32.994 99 H LEU 15 H LEU 15 -5.394 6.222 -29.392 100 HA LEU 15 HA LEU 15 -6.413 8.721 -30.322 101 HB2 LEU 15 HB2 LEU 15 -5.256 7.871 -27.663 102 HB3 LEU 15 HB3 LEU 15 -6.070 9.415 -27.926 103 HG LEU 15 HG LEU 15 -7.471 6.833 -28.596 104 HD11 LEU 15 HD11 LEU 15 -6.491 6.576 -26.383 105 HD12 LEU 15 HD12 LEU 15 -8.263 6.718 -26.296 106 HD13 LEU 15 HD13 LEU 15 -7.232 8.102 -25.870 107 HD21 LEU 15 HD21 LEU 15 -8.539 8.965 -29.253 108 HD22 LEU 15 HD22 LEU 15 -8.456 9.528 -27.567 109 HD23 LEU 15 HD23 LEU 15 -9.476 8.133 -27.996 110 H CYS 16 H CYS 16 -3.139 7.761 -29.216 111 HA CYS 16 HA CYS 16 -1.946 10.332 -29.323 112 HB2 CYS 16 HB2 CYS 16 -0.846 7.582 -30.015 113 HB3 CYS 16 HB3 CYS 16 0.126 9.036 -29.913 114 HG CYS 16 HG CYS 16 -1.621 7.545 -27.569 115 H ALA 17 H ALA 17 -2.351 7.877 -31.962 116 HA ALA 17 HA ALA 17 -1.066 9.600 -33.879 117 HB1 ALA 17 HB1 ALA 17 -2.008 8.024 -35.565 118 HB2 ALA 17 HB2 ALA 17 -1.292 7.136 -34.196 119 HB3 ALA 17 HB3 ALA 17 -3.061 7.310 -34.319 120 H LEU 18 H LEU 18 -4.459 9.218 -32.854 121 HA LEU 18 HA LEU 18 -5.575 10.815 -34.961 122 HB2 LEU 18 HB2 LEU 18 -6.514 10.199 -32.143 123 HB3 LEU 18 HB3 LEU 18 -7.430 11.203 -33.258 124 HG LEU 18 HG LEU 18 -6.782 8.271 -33.631 125 HD11 LEU 18 HD11 LEU 18 -8.548 8.834 -31.984 126 HD12 LEU 18 HD12 LEU 18 -9.211 8.025 -33.415 127 HD13 LEU 18 HD13 LEU 18 -9.393 9.784 -33.230 128 HD21 LEU 18 HD21 LEU 18 -7.828 10.364 -35.504 129 HD22 LEU 18 HD22 LEU 18 -8.480 8.725 -35.616 130 HD23 LEU 18 HD23 LEU 18 -6.743 9.002 -35.822 131 H TYR 19 H TYR 19 -4.060 11.645 -31.870 132 HA TYR 19 HA TYR 19 -4.827 14.421 -31.879 133 HB2 TYR 19 HB2 TYR 19 -2.545 12.891 -30.731 134 HB3 TYR 19 HB3 TYR 19 -2.488 14.579 -30.674 135 HD1 TYR 19 HD1 TYR 19 -5.639 12.587 -30.092 136 HD2 TYR 19 HD2 TYR 19 -2.396 14.789 -28.316 137 HE1 TYR 19 HE1 TYR 19 -6.811 12.539 -27.905 138 HE2 TYR 19 HE2 TYR 19 -3.538 14.748 -26.126 139 HH TYR 19 HH TYR 19 -6.730 13.143 -25.673 140 H ALA 20 H ALA 20 -1.964 12.633 -33.180 141 HA ALA 20 HA ALA 20 -0.608 14.879 -34.206 142 HB1 ALA 20 HB1 ALA 20 0.627 13.313 -35.592 143 HB2 ALA 20 HB2 ALA 20 0.300 12.529 -34.035 144 HB3 ALA 20 HB3 ALA 20 -0.667 12.096 -35.457 145 H GLU 21 H GLU 21 -2.963 12.770 -35.829 146 HA GLU 21 HA GLU 21 -2.853 13.925 -38.409 147 HB2 GLU 21 HB2 GLU 21 -4.986 12.492 -36.809 148 HB3 GLU 21 HB3 GLU 21 -5.288 13.030 -38.455 149 HG2 GLU 21 HG2 GLU 21 -2.950 11.255 -37.770 150 HG3 GLU 21 HG3 GLU 21 -4.563 10.613 -38.125 151 H ILE 22 H ILE 22 -4.679 14.915 -35.557 152 HA ILE 22 HA ILE 22 -6.307 16.791 -37.165 153 HB ILE 22 HB ILE 22 -6.377 15.800 -34.307 154 HG12 ILE 22 HG12 ILE 22 -8.281 15.581 -36.674 155 HG13 ILE 22 HG13 ILE 22 -7.121 14.341 -36.200 156 HG21 ILE 22 HG21 ILE 22 -8.452 17.116 -33.995 157 HG22 ILE 22 HG22 ILE 22 -7.062 18.170 -34.267 158 HG23 ILE 22 HG23 ILE 22 -8.207 17.865 -35.590 159 HD11 ILE 22 HD11 ILE 22 -8.244 14.278 -33.989 160 HD12 ILE 22 HD12 ILE 22 -9.524 15.282 -34.723 161 HD13 ILE 22 HD13 ILE 22 -9.166 13.668 -35.378 162 H LEU 23 H LEU 23 -3.812 16.866 -34.677 163 HA LEU 23 HA LEU 23 -4.002 19.774 -34.441 164 HB2 LEU 23 HB2 LEU 23 -2.037 17.751 -33.285 165 HB3 LEU 23 HB3 LEU 23 -2.146 19.444 -32.796 166 HG LEU 23 HG LEU 23 -4.532 17.589 -32.513 167 HD11 LEU 23 HD11 LEU 23 -2.492 18.092 -30.391 168 HD12 LEU 23 HD12 LEU 23 -2.546 16.647 -31.392 169 HD13 LEU 23 HD13 LEU 23 -3.920 17.016 -30.323 170 HD21 LEU 23 HD21 LEU 23 -3.640 20.075 -31.051 171 HD22 LEU 23 HD22 LEU 23 -5.119 19.106 -30.701 172 HD23 LEU 23 HD23 LEU 23 -4.914 19.955 -32.281 173 H GLY 24 H GLY 24 -2.090 17.497 -36.257 174 HA2 GLY 24 HA2 GLY 24 -0.654 18.028 -38.004 175 HA3 GLY 24 HA3 GLY 24 -0.809 19.747 -37.615 176 H VAL 25 H VAL 25 0.162 17.209 -35.332 177 HA VAL 25 HA VAL 25 2.806 18.579 -35.111 178 HB VAL 25 HB VAL 25 2.914 17.652 -32.798 179 HG11 VAL 25 HG11 VAL 25 2.063 19.948 -33.201 180 HG12 VAL 25 HG12 VAL 25 0.409 19.317 -33.357 181 HG13 VAL 25 HG13 VAL 25 1.266 19.204 -31.798 182 HG21 VAL 25 HG21 VAL 25 0.006 16.828 -33.244 183 HG22 VAL 25 HG22 VAL 25 1.378 15.702 -33.125 184 HG23 VAL 25 HG23 VAL 25 0.923 16.700 -31.732 185 H GLU 26 H GLU 26 4.689 17.347 -34.945 186 HA GLU 26 HA GLU 26 4.700 15.061 -36.652 187 HB2 GLU 26 HB2 GLU 26 6.896 16.168 -34.875 188 HB3 GLU 26 HB3 GLU 26 7.103 15.013 -36.185 189 HG2 GLU 26 HG2 GLU 26 6.211 16.748 -37.778 190 HG3 GLU 26 HG3 GLU 26 6.162 17.876 -36.464 191 H ARG 27 H ARG 27 4.642 15.425 -33.190 192 HA ARG 27 HA ARG 27 4.804 12.409 -32.849 193 HB2 ARG 27 HB2 ARG 27 7.107 13.872 -32.396 194 HB3 ARG 27 HB3 ARG 27 6.190 14.100 -30.887 195 HG2 ARG 27 HG2 ARG 27 7.636 12.189 -30.597 196 HG3 ARG 27 HG3 ARG 27 5.994 11.542 -30.772 197 HD2 ARG 27 HD2 ARG 27 6.434 11.099 -33.196 198 HD3 ARG 27 HD3 ARG 27 8.073 11.740 -32.998 199 HE ARG 27 HE ARG 27 8.741 9.810 -31.936 200 HH11 ARG 27 HH11 ARG 27 5.222 9.714 -32.257 201 HH12 ARG 27 HH12 ARG 27 5.119 8.065 -31.719 202 HH21 ARG 27 HH21 ARG 27 8.525 7.682 -31.274 203 HH22 ARG 27 HH22 ARG 27 6.955 6.934 -31.189 204 H VAL 28 H VAL 28 3.918 11.764 -30.910 205 HA VAL 28 HA VAL 28 2.714 13.812 -29.293 206 HB VAL 28 HB VAL 28 0.932 11.253 -30.156 207 HG11 VAL 28 HG11 VAL 28 -0.903 12.513 -29.273 208 HG12 VAL 28 HG12 VAL 28 0.319 12.201 -28.024 209 HG13 VAL 28 HG13 VAL 28 0.205 13.793 -28.762 210 HG21 VAL 28 HG21 VAL 28 1.379 12.841 -32.132 211 HG22 VAL 28 HG22 VAL 28 -0.297 12.951 -31.616 212 HG23 VAL 28 HG23 VAL 28 0.913 14.215 -31.151 213 H GLY 29 H GLY 29 2.894 13.007 -27.060 214 HA2 GLY 29 HA2 GLY 29 3.882 10.324 -26.551 215 HA3 GLY 29 HA3 GLY 29 3.920 11.618 -25.458 216 H VAL 30 H VAL 30 3.041 9.345 -24.354 217 HA VAL 30 HA VAL 30 0.196 8.845 -24.854 218 HB VAL 30 HB VAL 30 0.682 7.676 -22.403 219 HG11 VAL 30 HG11 VAL 30 1.085 5.546 -23.625 220 HG12 VAL 30 HG12 VAL 30 -0.170 6.506 -24.433 221 HG13 VAL 30 HG13 VAL 30 1.480 6.449 -25.100 222 HG21 VAL 30 HG21 VAL 30 3.380 7.496 -23.789 223 HG22 VAL 30 HG22 VAL 30 3.035 8.531 -22.367 224 HG23 VAL 30 HG23 VAL 30 2.901 6.769 -22.245 225 H ASP 31 H ASP 31 2.209 10.856 -22.950 226 HA ASP 31 HA ASP 31 -0.011 11.641 -21.195 227 HB2 ASP 31 HB2 ASP 31 2.933 12.011 -20.970 228 HB3 ASP 31 HB3 ASP 31 1.801 12.580 -19.970 229 H ASP 32 H ASP 32 0.625 12.597 -24.115 230 HA ASP 32 HA ASP 32 1.565 15.231 -23.819 231 HB2 ASP 32 HB2 ASP 32 1.213 13.429 -25.947 232 HB3 ASP 32 HB3 ASP 32 0.083 14.727 -26.285 233 H ALA 33 H ALA 33 0.514 17.068 -23.444 234 HA ALA 33 HA ALA 33 -2.364 16.909 -22.850 235 HB1 ALA 33 HB1 ALA 33 -0.365 19.197 -22.834 236 HB2 ALA 33 HB2 ALA 33 -2.041 19.314 -22.240 237 HB3 ALA 33 HB3 ALA 33 -0.875 18.226 -21.443 238 H PHE 34 H PHE 34 -3.821 16.952 -24.353 239 HA PHE 34 HA PHE 34 -3.579 17.607 -27.091 240 HB2 PHE 34 HB2 PHE 34 -5.432 16.400 -26.051 241 HB3 PHE 34 HB3 PHE 34 -5.949 17.975 -25.300 242 HD1 PHE 34 HD1 PHE 34 -5.316 16.219 -28.596 243 HD2 PHE 34 HD2 PHE 34 -7.418 19.356 -26.542 244 HE1 PHE 34 HE1 PHE 34 -6.678 16.639 -30.638 245 HE2 PHE 34 HE2 PHE 34 -8.793 19.788 -28.585 246 HZ PHE 34 HZ PHE 34 -8.407 18.418 -30.649 247 H HIS 35 H HIS 35 -4.417 19.832 -24.385 248 HA HIS 35 HA HIS 35 -4.951 22.002 -26.236 249 HB2 HIS 35 HB2 HIS 35 -5.129 23.375 -24.197 250 HB3 HIS 35 HB3 HIS 35 -6.116 21.913 -24.136 251 HD1 HIS 35 HD1 HIS 35 -5.687 20.288 -22.203 252 HD2 HIS 35 HD2 HIS 35 -2.781 23.250 -22.525 253 HE1 HIS 35 HE1 HIS 35 -4.247 20.123 -20.135 254 H ASP 36 H ASP 36 -2.003 20.826 -24.701 255 HA ASP 36 HA ASP 36 -0.613 23.398 -24.904 256 HB2 ASP 36 HB2 ASP 36 -0.057 21.453 -23.312 257 HB3 ASP 36 HB3 ASP 36 0.622 20.631 -24.728 258 H LEU 37 H LEU 37 -1.148 20.479 -26.764 259 HA LEU 37 HA LEU 37 0.620 21.148 -28.968 260 HB2 LEU 37 HB2 LEU 37 -1.761 19.288 -28.813 261 HB3 LEU 37 HB3 LEU 37 -0.558 19.295 -30.083 262 HG LEU 37 HG LEU 37 0.111 18.625 -27.205 263 HD11 LEU 37 HD11 LEU 37 -0.666 16.705 -29.444 264 HD12 LEU 37 HD12 LEU 37 -1.673 17.120 -28.042 265 HD13 LEU 37 HD13 LEU 37 -0.135 16.286 -27.794 266 HD21 LEU 37 HD21 LEU 37 1.961 19.222 -28.596 267 HD22 LEU 37 HD22 LEU 37 1.453 17.989 -29.830 268 HD23 LEU 37 HD23 LEU 37 1.963 17.429 -28.199 269 H GLY 38 H GLY 38 -1.797 22.962 -27.937 270 HA2 GLY 38 HA2 GLY 38 -2.786 24.712 -29.114 271 HA3 GLY 38 HA3 GLY 38 -2.402 23.918 -30.641 272 H GLY 39 H GLY 39 -3.876 21.732 -28.659 273 HA2 GLY 39 HA2 GLY 39 -6.247 21.662 -30.237 274 HA3 GLY 39 HA3 GLY 39 -5.909 20.608 -28.852 275 H SER 40 H SER 40 -7.213 23.679 -30.044 276 HA SER 40 HA SER 40 -8.345 24.601 -27.562 277 HB2 SER 40 HB2 SER 40 -9.250 25.070 -30.423 278 HB3 SER 40 HB3 SER 40 -9.754 26.033 -29.015 279 HG SER 40 HG SER 40 -7.022 25.671 -29.711 280 H SER 41 H SER 41 -10.724 24.674 -27.032 281 HA SER 41 HA SER 41 -11.882 22.110 -26.993 282 HB2 SER 41 HB2 SER 41 -13.397 24.730 -26.838 283 HB3 SER 41 HB3 SER 41 -13.805 23.191 -26.050 284 HG SER 41 HG SER 41 -12.019 23.430 -24.726 285 H ALA 42 H ALA 42 -12.211 24.644 -29.459 286 HA ALA 42 HA ALA 42 -14.477 23.420 -30.781 287 HB1 ALA 42 HB1 ALA 42 -13.864 24.906 -32.658 288 HB2 ALA 42 HB2 ALA 42 -13.857 25.797 -31.123 289 HB3 ALA 42 HB3 ALA 42 -12.315 25.299 -31.866 290 H LEU 43 H LEU 43 -10.950 23.089 -31.027 291 HA LEU 43 HA LEU 43 -11.037 21.441 -33.390 292 HB2 LEU 43 HB2 LEU 43 -9.089 22.815 -32.585 293 HB3 LEU 43 HB3 LEU 43 -8.865 21.688 -31.257 294 HG LEU 43 HG LEU 43 -8.093 19.975 -32.689 295 HD11 LEU 43 HD11 LEU 43 -9.601 19.957 -34.524 296 HD12 LEU 43 HD12 LEU 43 -7.968 20.302 -35.215 297 HD13 LEU 43 HD13 LEU 43 -9.150 21.656 -34.992 298 HD21 LEU 43 HD21 LEU 43 -6.176 21.044 -33.820 299 HD22 LEU 43 HD22 LEU 43 -6.480 21.781 -32.240 300 HD23 LEU 43 HD23 LEU 43 -6.995 22.642 -33.730 301 H ALA 44 H ALA 44 -11.249 20.886 -29.932 302 HA ALA 44 HA ALA 44 -10.853 18.084 -29.916 303 HB1 ALA 44 HB1 ALA 44 -12.206 18.101 -27.843 304 HB2 ALA 44 HB2 ALA 44 -11.034 19.441 -27.875 305 HB3 ALA 44 HB3 ALA 44 -12.749 19.755 -28.198 306 H MET 45 H MET 45 -13.601 19.934 -31.025 307 HA MET 45 HA MET 45 -15.536 17.812 -31.028 308 HB2 MET 45 HB2 MET 45 -15.302 20.194 -32.901 309 HB3 MET 45 HB3 MET 45 -16.701 19.122 -32.748 310 HG2 MET 45 HG2 MET 45 -16.960 19.761 -30.349 311 HG3 MET 45 HG3 MET 45 -15.530 20.815 -30.470 312 HE1 MET 45 HE1 MET 45 -19.327 20.376 -31.284 313 HE2 MET 45 HE2 MET 45 -19.665 21.673 -32.455 314 HE3 MET 45 HE3 MET 45 -18.717 20.252 -32.952 315 H ARG 46 H ARG 46 -12.949 18.770 -33.323 316 HA ARG 46 HA ARG 46 -13.738 16.937 -35.416 317 HB2 ARG 46 HB2 ARG 46 -11.800 18.945 -35.091 318 HB3 ARG 46 HB3 ARG 46 -10.856 17.451 -35.222 319 HG2 ARG 46 HG2 ARG 46 -12.635 17.084 -37.241 320 HG3 ARG 46 HG3 ARG 46 -12.524 18.853 -37.228 321 HD2 ARG 46 HD2 ARG 46 -10.147 16.941 -37.371 322 HD3 ARG 46 HD3 ARG 46 -10.889 17.701 -38.782 323 HE ARG 46 HE ARG 46 -9.107 18.951 -36.813 324 HH11 ARG 46 HH11 ARG 46 -11.312 19.544 -39.515 325 HH12 ARG 46 HH12 ARG 46 -10.595 21.092 -39.865 326 HH21 ARG 46 HH21 ARG 46 -8.248 20.920 -37.333 327 HH22 ARG 46 HH22 ARG 46 -8.899 21.855 -38.651 328 H LEU 47 H LEU 47 -11.682 16.726 -32.520 329 HA LEU 47 HA LEU 47 -10.521 14.165 -33.135 330 HB2 LEU 47 HB2 LEU 47 -9.645 15.740 -31.384 331 HB3 LEU 47 HB3 LEU 47 -11.111 15.467 -30.486 332 HG LEU 47 HG LEU 47 -10.473 13.037 -30.240 333 HD11 LEU 47 HD11 LEU 47 -7.882 13.951 -31.538 334 HD12 LEU 47 HD12 LEU 47 -9.018 12.756 -32.185 335 HD13 LEU 47 HD13 LEU 47 -8.129 12.396 -30.694 336 HD21 LEU 47 HD21 LEU 47 -9.991 14.734 -28.515 337 HD22 LEU 47 HD22 LEU 47 -8.386 14.988 -29.250 338 HD23 LEU 47 HD23 LEU 47 -8.801 13.420 -28.540 339 H ILE 48 H ILE 48 -13.411 15.114 -31.262 340 HA ILE 48 HA ILE 48 -14.177 12.474 -30.550 341 HB ILE 48 HB ILE 48 -15.815 15.015 -30.940 342 HG12 ILE 48 HG12 ILE 48 -14.971 13.745 -28.313 343 HG13 ILE 48 HG13 ILE 48 -13.872 14.809 -29.177 344 HG21 ILE 48 HG21 ILE 48 -17.337 13.069 -31.046 345 HG22 ILE 48 HG22 ILE 48 -16.591 12.382 -29.578 346 HG23 ILE 48 HG23 ILE 48 -17.525 13.895 -29.477 347 HD11 ILE 48 HD11 ILE 48 -16.599 15.520 -28.108 348 HD12 ILE 48 HD12 ILE 48 -15.015 16.050 -27.493 349 HD13 ILE 48 HD13 ILE 48 -15.575 16.601 -29.092 350 H ALA 49 H ALA 49 -14.900 14.446 -33.433 351 HA ALA 49 HA ALA 49 -16.763 12.604 -34.559 352 HB1 ALA 49 HB1 ALA 49 -16.338 13.803 -36.675 353 HB2 ALA 49 HB2 ALA 49 -16.507 14.956 -35.328 354 HB3 ALA 49 HB3 ALA 49 -14.894 14.566 -35.973 355 H ARG 50 H ARG 50 -13.197 12.918 -34.874 356 HA ARG 50 HA ARG 50 -12.866 10.942 -36.945 357 HB2 ARG 50 HB2 ARG 50 -11.205 12.700 -35.899 358 HB3 ARG 50 HB3 ARG 50 -10.816 11.494 -34.876 359 HG2 ARG 50 HG2 ARG 50 -9.211 11.397 -36.580 360 HG3 ARG 50 HG3 ARG 50 -10.307 10.047 -36.970 361 HD2 ARG 50 HD2 ARG 50 -11.386 11.435 -38.704 362 HD3 ARG 50 HD3 ARG 50 -10.380 12.834 -38.287 363 HE ARG 50 HE ARG 50 -9.544 10.411 -39.757 364 HH11 ARG 50 HH11 ARG 50 -8.452 13.421 -38.234 365 HH12 ARG 50 HH12 ARG 50 -6.896 13.339 -39.023 366 HH21 ARG 50 HH21 ARG 50 -7.534 10.382 -40.664 367 HH22 ARG 50 HH22 ARG 50 -6.363 11.648 -40.363 368 H ILE 51 H ILE 51 -12.946 10.798 -33.357 369 HA ILE 51 HA ILE 51 -11.889 8.122 -32.995 370 HB ILE 51 HB ILE 51 -13.681 9.907 -31.219 371 HG12 ILE 51 HG12 ILE 51 -10.859 8.868 -30.770 372 HG13 ILE 51 HG13 ILE 51 -11.143 10.363 -31.647 373 HG21 ILE 51 HG21 ILE 51 -13.455 8.279 -29.466 374 HG22 ILE 51 HG22 ILE 51 -14.224 7.513 -30.863 375 HG23 ILE 51 HG23 ILE 51 -12.519 7.210 -30.581 376 HD11 ILE 51 HD11 ILE 51 -12.428 11.204 -29.611 377 HD12 ILE 51 HD12 ILE 51 -11.931 9.739 -28.748 378 HD13 ILE 51 HD13 ILE 51 -10.694 10.891 -29.308 379 H ARG 52 H ARG 52 -15.051 9.296 -34.040 380 HA ARG 52 HA ARG 52 -16.515 6.933 -33.426 381 HB2 ARG 52 HB2 ARG 52 -16.920 8.988 -35.565 382 HB3 ARG 52 HB3 ARG 52 -18.024 7.670 -35.254 383 HG2 ARG 52 HG2 ARG 52 -18.621 8.509 -33.120 384 HG3 ARG 52 HG3 ARG 52 -17.253 9.654 -33.128 385 HD2 ARG 52 HD2 ARG 52 -18.188 10.769 -35.097 386 HD3 ARG 52 HD3 ARG 52 -19.561 9.647 -35.087 387 HE ARG 52 HE ARG 52 -19.063 11.884 -33.243 388 HH11 ARG 52 HH11 ARG 52 -21.091 9.093 -33.956 389 HH12 ARG 52 HH12 ARG 52 -22.384 9.652 -32.928 390 HH21 ARG 52 HH21 ARG 52 -20.765 12.538 -31.946 391 HH22 ARG 52 HH22 ARG 52 -22.198 11.557 -31.818 392 H GLU 53 H GLU 53 -14.434 7.754 -36.086 393 HA GLU 53 HA GLU 53 -15.378 5.561 -37.763 394 HB2 GLU 53 HB2 GLU 53 -12.784 7.080 -38.030 395 HB3 GLU 53 HB3 GLU 53 -13.796 6.357 -39.311 396 HG2 GLU 53 HG2 GLU 53 -14.339 8.886 -37.759 397 HG3 GLU 53 HG3 GLU 53 -14.012 8.818 -39.405 398 H GLU 54 H GLU 54 -12.699 6.264 -35.564 399 HA GLU 54 HA GLU 54 -11.232 3.946 -36.368 400 HB2 GLU 54 HB2 GLU 54 -10.891 5.884 -34.074 401 HB3 GLU 54 HB3 GLU 54 -9.749 4.613 -34.455 402 HG2 GLU 54 HG2 GLU 54 -10.502 6.924 -36.262 403 HG3 GLU 54 HG3 GLU 54 -9.056 6.801 -35.278 404 H LEU 55 H LEU 55 -13.303 4.849 -33.517 405 HA LEU 55 HA LEU 55 -12.668 2.226 -32.489 406 HB2 LEU 55 HB2 LEU 55 -13.093 4.831 -31.072 407 HB3 LEU 55 HB3 LEU 55 -13.304 3.235 -30.234 408 HG LEU 55 HG LEU 55 -10.981 3.317 -32.086 409 HD11 LEU 55 HD11 LEU 55 -9.643 4.876 -30.852 410 HD12 LEU 55 HD12 LEU 55 -11.089 5.332 -29.899 411 HD13 LEU 55 HD13 LEU 55 -11.050 5.585 -31.664 412 HD21 LEU 55 HD21 LEU 55 -9.780 2.528 -30.050 413 HD22 LEU 55 HD22 LEU 55 -11.302 1.645 -30.288 414 HD23 LEU 55 HD23 LEU 55 -11.202 2.930 -29.058 415 H GLY 56 H GLY 56 -15.062 3.833 -33.996 416 HA2 GLY 56 HA2 GLY 56 -17.280 3.353 -34.363 417 HA3 GLY 56 HA3 GLY 56 -17.088 1.883 -33.390 418 H VAL 57 H VAL 57 -16.328 5.079 -32.108 419 HA VAL 57 HA VAL 57 -18.776 5.041 -30.456 420 HB VAL 57 HB VAL 57 -17.075 3.606 -29.329 421 HG11 VAL 57 HG11 VAL 57 -15.092 4.827 -30.277 422 HG12 VAL 57 HG12 VAL 57 -15.364 6.074 -29.062 423 HG13 VAL 57 HG13 VAL 57 -14.978 4.407 -28.565 424 HG21 VAL 57 HG21 VAL 57 -17.465 6.145 -27.760 425 HG22 VAL 57 HG22 VAL 57 -18.608 4.948 -27.901 426 HG23 VAL 57 HG23 VAL 57 -17.193 4.633 -27.124 427 H ASP 58 H ASP 58 -19.297 7.036 -29.475 428 HA ASP 58 HA ASP 58 -17.782 9.329 -30.612 429 HB2 ASP 58 HB2 ASP 58 -19.630 10.717 -29.940 430 HB3 ASP 58 HB3 ASP 58 -20.230 9.347 -30.877 431 H LEU 59 H LEU 59 -16.200 10.168 -29.437 432 HA LEU 59 HA LEU 59 -15.724 9.248 -26.806 433 HB2 LEU 59 HB2 LEU 59 -13.971 10.087 -28.265 434 HB3 LEU 59 HB3 LEU 59 -14.618 11.690 -28.173 435 HG LEU 59 HG LEU 59 -14.272 11.406 -25.597 436 HD11 LEU 59 HD11 LEU 59 -12.253 9.432 -26.608 437 HD12 LEU 59 HD12 LEU 59 -13.715 9.037 -25.683 438 HD13 LEU 59 HD13 LEU 59 -12.427 10.006 -24.939 439 HD21 LEU 59 HD21 LEU 59 -11.787 11.795 -27.229 440 HD22 LEU 59 HD22 LEU 59 -12.112 12.370 -25.583 441 HD23 LEU 59 HD23 LEU 59 -13.026 13.040 -26.938 442 HA PRO 60 HA PRO 60 -18.422 12.114 -24.644 443 HB2 PRO 60 HB2 PRO 60 -16.877 11.184 -22.245 444 HB3 PRO 60 HB3 PRO 60 -18.645 11.176 -22.514 445 HG2 PRO 60 HG2 PRO 60 -17.237 8.908 -22.548 446 HG3 PRO 60 HG3 PRO 60 -18.548 9.177 -23.734 447 HD2 PRO 60 HD2 PRO 60 -15.570 9.505 -24.122 448 HD3 PRO 60 HD3 PRO 60 -16.767 8.673 -25.134 449 H ILE 61 H ILE 61 -17.835 14.279 -24.795 450 HA ILE 61 HA ILE 61 -15.073 15.109 -24.673 451 HB ILE 61 HB ILE 61 -17.058 16.268 -25.805 452 HG12 ILE 61 HG12 ILE 61 -15.266 18.064 -24.139 453 HG13 ILE 61 HG13 ILE 61 -14.577 17.061 -25.517 454 HG21 ILE 61 HG21 ILE 61 -18.578 16.411 -23.822 455 HG22 ILE 61 HG22 ILE 61 -17.470 17.612 -23.098 456 HG23 ILE 61 HG23 ILE 61 -18.313 17.971 -24.615 457 HD11 ILE 61 HD11 ILE 61 -16.670 19.370 -25.641 458 HD12 ILE 61 HD12 ILE 61 -15.039 19.318 -26.330 459 HD13 ILE 61 HD13 ILE 61 -16.320 18.291 -27.019 460 H ARG 62 H ARG 62 -17.465 14.611 -22.123 461 HA ARG 62 HA ARG 62 -16.192 16.198 -20.074 462 HB2 ARG 62 HB2 ARG 62 -18.025 13.804 -20.080 463 HB3 ARG 62 HB3 ARG 62 -17.157 14.230 -18.596 464 HG2 ARG 62 HG2 ARG 62 -18.092 16.464 -18.613 465 HG3 ARG 62 HG3 ARG 62 -18.940 16.124 -20.133 466 HD2 ARG 62 HD2 ARG 62 -20.552 15.882 -18.374 467 HD3 ARG 62 HD3 ARG 62 -20.154 14.261 -18.952 468 HE ARG 62 HE ARG 62 -19.185 13.739 -16.899 469 HH11 ARG 62 HH11 ARG 62 -19.908 17.207 -16.927 470 HH12 ARG 62 HH12 ARG 62 -19.643 17.355 -15.214 471 HH21 ARG 62 HH21 ARG 62 -18.892 14.004 -14.749 472 HH22 ARG 62 HH22 ARG 62 -19.061 15.579 -14.002 473 H GLN 63 H GLN 63 -15.447 12.939 -21.435 474 HA GLN 63 HA GLN 63 -13.522 12.334 -19.309 475 HB2 GLN 63 HB2 GLN 63 -14.377 11.150 -21.924 476 HB3 GLN 63 HB3 GLN 63 -12.679 10.844 -21.313 477 HG2 GLN 63 HG2 GLN 63 -13.948 9.002 -20.575 478 HG3 GLN 63 HG3 GLN 63 -13.650 9.962 -19.170 479 HE21 GLN 63 HE21 GLN 63 -15.633 11.681 -18.756 480 HE22 GLN 63 HE22 GLN 63 -17.200 10.906 -18.830 481 H LEU 64 H LEU 64 -13.476 13.856 -22.531 482 HA LEU 64 HA LEU 64 -10.633 13.996 -22.642 483 HB2 LEU 64 HB2 LEU 64 -12.344 14.358 -24.500 484 HB3 LEU 64 HB3 LEU 64 -12.589 15.968 -23.830 485 HG LEU 64 HG LEU 64 -10.088 16.410 -24.216 486 HD11 LEU 64 HD11 LEU 64 -9.055 15.039 -25.958 487 HD12 LEU 64 HD12 LEU 64 -10.429 13.934 -25.900 488 HD13 LEU 64 HD13 LEU 64 -9.418 14.072 -24.481 489 HD21 LEU 64 HD21 LEU 64 -11.792 15.847 -26.635 490 HD22 LEU 64 HD22 LEU 64 -10.361 16.903 -26.483 491 HD23 LEU 64 HD23 LEU 64 -11.810 17.293 -25.580 492 H PHE 65 H PHE 65 -13.047 16.361 -21.484 493 HA PHE 65 HA PHE 65 -10.997 18.292 -20.848 494 HB2 PHE 65 HB2 PHE 65 -13.868 17.998 -19.923 495 HB3 PHE 65 HB3 PHE 65 -12.830 19.368 -19.513 496 HD1 PHE 65 HD2 PHE 65 -11.569 18.954 -22.645 497 HD2 PHE 65 HD1 PHE 65 -15.374 19.885 -20.808 498 HE1 PHE 65 HE2 PHE 65 -12.255 20.166 -24.686 499 HE2 PHE 65 HE1 PHE 65 -16.053 21.094 -22.876 500 HZ PHE 65 HZ PHE 65 -14.489 21.258 -24.796 501 H SER 66 H SER 66 -12.304 15.528 -19.104 502 HA SER 66 HA SER 66 -11.276 16.372 -16.503 503 HB2 SER 66 HB2 SER 66 -13.173 14.741 -16.863 504 HB3 SER 66 HB3 SER 66 -11.989 13.620 -17.452 505 HG SER 66 HG SER 66 -10.919 14.076 -15.339 506 H SER 67 H SER 67 -10.112 14.659 -19.296 507 HA SER 67 HA SER 67 -7.390 14.416 -18.067 508 HB2 SER 67 HB2 SER 67 -8.899 12.085 -19.302 509 HB3 SER 67 HB3 SER 67 -7.215 12.075 -18.729 510 HG SER 67 HG SER 67 -8.589 13.006 -16.741 511 HA PRO 68 HA PRO 68 -7.570 15.763 -22.493 512 HB2 PRO 68 HB2 PRO 68 -5.760 17.862 -22.320 513 HB3 PRO 68 HB3 PRO 68 -7.387 17.980 -21.584 514 HG2 PRO 68 HG2 PRO 68 -4.800 17.228 -20.275 515 HG3 PRO 68 HG3 PRO 68 -5.952 18.528 -19.821 516 HD2 PRO 68 HD2 PRO 68 -6.022 16.094 -18.636 517 HD3 PRO 68 HD3 PRO 68 -7.533 16.998 -19.000 518 H THR 69 H THR 69 -5.661 13.612 -21.286 519 HA THR 69 HA THR 69 -3.483 13.971 -23.296 520 HB THR 69 HB THR 69 -2.088 12.444 -21.940 521 HG1 THR 69 HG1 THR 69 -2.863 11.949 -19.803 522 HG21 THR 69 HG21 THR 69 -2.040 14.885 -21.506 523 HG22 THR 69 HG22 THR 69 -1.597 13.895 -20.104 524 HG23 THR 69 HG23 THR 69 -3.217 14.625 -20.196 525 HA PRO 70 HA PRO 70 -5.378 10.655 -25.213 526 HB2 PRO 70 HB2 PRO 70 -3.399 9.164 -26.399 527 HB3 PRO 70 HB3 PRO 70 -3.822 10.805 -26.908 528 HG2 PRO 70 HG2 PRO 70 -1.651 9.987 -25.095 529 HG3 PRO 70 HG3 PRO 70 -1.599 11.010 -26.548 530 HD2 PRO 70 HD2 PRO 70 -1.710 12.107 -24.121 531 HD3 PRO 70 HD3 PRO 70 -2.632 12.811 -25.490 532 H ALA 71 H ALA 71 -2.676 9.670 -23.012 533 HA ALA 71 HA ALA 71 -3.828 7.020 -22.665 534 HB1 ALA 71 HB1 ALA 71 -1.740 8.523 -20.987 535 HB2 ALA 71 HB2 ALA 71 -2.200 6.799 -20.800 536 HB3 ALA 71 HB3 ALA 71 -1.467 7.358 -22.302 537 H GLY 72 H GLY 72 -4.162 10.176 -20.958 538 HA2 GLY 72 HA2 GLY 72 -5.316 9.052 -18.618 539 HA3 GLY 72 HA3 GLY 72 -5.355 10.755 -19.166 540 H VAL 73 H VAL 73 -6.585 10.528 -21.590 541 HA VAL 73 HA VAL 73 -9.265 10.288 -20.830 542 HB VAL 73 HB VAL 73 -8.102 11.699 -22.774 543 HG11 VAL 73 HG11 VAL 73 -9.178 9.307 -24.306 544 HG12 VAL 73 HG12 VAL 73 -8.451 10.758 -24.968 545 HG13 VAL 73 HG13 VAL 73 -7.459 9.597 -24.102 546 HG21 VAL 73 HG21 VAL 73 -10.238 11.989 -23.776 547 HG22 VAL 73 HG22 VAL 73 -10.858 10.599 -23.026 548 HG23 VAL 73 HG23 VAL 73 -10.318 11.899 -22.122 549 H ALA 74 H ALA 74 -7.165 7.952 -22.291 550 HA ALA 74 HA ALA 74 -9.175 6.140 -23.367 551 HB1 ALA 74 HB1 ALA 74 -7.367 4.508 -23.296 552 HB2 ALA 74 HB2 ALA 74 -6.733 6.067 -23.906 553 HB3 ALA 74 HB3 ALA 74 -6.411 5.551 -22.229 554 H ARG 75 H ARG 75 -7.458 6.480 -20.215 555 HA ARG 75 HA ARG 75 -8.528 3.948 -19.193 556 HB2 ARG 75 HB2 ARG 75 -7.088 6.219 -17.768 557 HB3 ARG 75 HB3 ARG 75 -7.307 4.611 -17.169 558 HG2 ARG 75 HG2 ARG 75 -5.883 5.176 -19.738 559 HG3 ARG 75 HG3 ARG 75 -4.981 5.190 -18.113 560 HD2 ARG 75 HD2 ARG 75 -5.697 2.914 -19.917 561 HD3 ARG 75 HD3 ARG 75 -4.481 3.106 -18.753 562 HE ARG 75 HE ARG 75 -6.610 2.848 -17.111 563 HH11 ARG 75 HH11 ARG 75 -5.337 1.026 -19.820 564 HH12 ARG 75 HH12 ARG 75 -5.994 -0.495 -19.285 565 HH21 ARG 75 HH21 ARG 75 -7.439 0.799 -16.384 566 HH22 ARG 75 HH22 ARG 75 -7.143 -0.606 -17.367 567 H ALA 76 H ALA 76 -9.245 7.493 -19.003 568 HA ALA 76 HA ALA 76 -11.179 7.422 -16.955 569 HB1 ALA 76 HB1 ALA 76 -10.895 9.310 -19.299 570 HB2 ALA 76 HB2 ALA 76 -11.816 9.612 -17.805 571 HB3 ALA 76 HB3 ALA 76 -10.041 9.474 -17.762 572 H LEU 77 H LEU 77 -11.460 7.126 -20.534 573 HA LEU 77 HA LEU 77 -14.332 6.747 -20.300 574 HB2 LEU 77 HB2 LEU 77 -14.247 6.254 -22.706 575 HB3 LEU 77 HB3 LEU 77 -13.370 7.736 -22.312 576 HG LEU 77 HG LEU 77 -11.291 6.108 -22.311 577 HD11 LEU 77 HD11 LEU 77 -12.460 3.994 -22.794 578 HD12 LEU 77 HD12 LEU 77 -11.208 4.387 -23.897 579 HD13 LEU 77 HD13 LEU 77 -12.751 4.611 -24.446 580 HD21 LEU 77 HD21 LEU 77 -12.662 6.988 -24.831 581 HD22 LEU 77 HD22 LEU 77 -10.902 6.704 -24.639 582 HD23 LEU 77 HD23 LEU 77 -11.697 8.033 -23.757 583 H ALA 78 H ALA 78 -11.532 4.616 -20.346 584 HA ALA 78 HA ALA 78 -12.988 2.243 -20.839 585 HB1 ALA 78 HB1 ALA 78 -10.465 2.626 -19.164 586 HB2 ALA 78 HB2 ALA 78 -11.103 1.061 -19.722 587 HB3 ALA 78 HB3 ALA 78 -10.540 2.258 -20.906 588 H ALA 79 H ALA 79 -12.612 4.172 -17.916 589 HA ALA 79 HA ALA 79 -13.510 2.255 -16.016 590 HB1 ALA 79 HB1 ALA 79 -12.481 4.467 -15.456 591 HB2 ALA 79 HB2 ALA 79 -13.963 5.273 -16.017 592 HB3 ALA 79 HB3 ALA 79 -14.020 4.192 -14.605 593 H LYS 80 H LYS 80 -15.278 4.101 -18.450 594 HA LYS 80 HA LYS 80 -17.864 3.865 -17.213 595 HB2 LYS 80 HB2 LYS 80 -17.018 5.439 -19.084 596 HB3 LYS 80 HB3 LYS 80 -17.419 4.109 -20.181 597 HG2 LYS 80 HG2 LYS 80 -19.753 4.167 -19.393 598 HG3 LYS 80 HG3 LYS 80 -19.339 5.447 -18.239 599 HD2 LYS 80 HD2 LYS 80 -18.729 6.939 -20.113 600 HD3 LYS 80 HD3 LYS 80 -19.105 5.643 -21.267 601 HE2 LYS 80 HE2 LYS 80 -21.003 7.133 -21.167 602 HE3 LYS 80 HE3 LYS 80 -21.451 5.600 -20.398 603 HZ1 LYS 80 HZ1 LYS 80 -22.205 7.372 -19.029 604 HZ2 LYS 80 HZ2 LYS 80 -20.744 8.137 -19.048 605 HZ3 LYS 80 HZ3 LYS 80 -20.919 6.701 -18.241 606 H SER 81 H SER 81 -15.906 1.478 -18.685 607 HA SER 81 HA SER 81 -18.197 -0.149 -19.582 608 HB2 SER 81 HB2 SER 81 -16.548 -1.792 -20.221 609 HB3 SER 81 HB3 SER 81 -16.007 -0.199 -20.785 610 HG SER 81 HG SER 81 -14.571 -0.113 -19.030 611 H ALA 82 H ALA 82 -16.713 0.540 -16.614 612 HA ALA 82 HA ALA 82 -17.235 -2.162 -15.498 613 HB1 ALA 82 HB1 ALA 82 -15.964 0.320 -14.246 614 HB2 ALA 82 HB2 ALA 82 -16.069 -1.290 -13.497 615 HB3 ALA 82 HB3 ALA 82 -15.076 -1.050 -14.953 616 H SER 83 H SER 83 -18.371 -2.207 -13.356 617 HA SER 83 HA SER 83 -20.935 -0.930 -13.555 618 HB2 SER 83 HB2 SER 83 -19.837 -2.271 -11.082 619 HB3 SER 83 HB3 SER 83 -21.507 -2.238 -11.681 620 HG SER 83 HG SER 83 -20.647 -4.218 -12.208 621 H TRP 84 H TRP 84 -18.077 0.409 -12.585 622 HA TRP 84 HA TRP 84 -19.470 2.508 -11.027 623 HB2 TRP 84 HB2 TRP 84 -17.281 2.600 -9.624 624 HB3 TRP 84 HB3 TRP 84 -18.479 1.370 -9.206 625 HD1 TRP 84 HD1 TRP 84 -15.028 1.685 -10.908 626 HE1 TRP 84 HE1 TRP 84 -13.848 -0.564 -10.946 627 HE3 TRP 84 HE3 TRP 84 -18.874 -1.147 -9.084 628 HZ2 TRP 84 HZ2 TRP 84 -14.490 -3.271 -10.301 629 HZ3 TRP 84 HZ3 TRP 84 -18.524 -3.615 -8.816 630 HH2 TRP 84 HH2 TRP 84 -16.343 -4.655 -9.433 631 H SER 85 H SER 85 -18.840 4.494 -11.855 632 HA SER 85 HA SER 85 -16.370 4.664 -13.456 633 HB2 SER 85 HB2 SER 85 -17.588 5.360 -15.478 634 HB3 SER 85 HB3 SER 85 -18.014 3.702 -15.011 635 HG SER 85 HG SER 85 -19.965 4.335 -14.400 636 H HIS 86 H HIS 86 -16.307 6.913 -14.553 637 HA HIS 86 HA HIS 86 -16.596 8.879 -12.474 638 HB2 HIS 86 HB2 HIS 86 -16.049 9.225 -15.448 639 HB3 HIS 86 HB3 HIS 86 -15.782 10.448 -14.197 640 HD1 HIS 86 HD1 HIS 86 -14.018 9.393 -12.175 641 HD2 HIS 86 HD2 HIS 86 -13.793 7.916 -16.059 642 HE1 HIS 86 HE1 HIS 86 -11.749 8.303 -12.410 643 HA PRO 87 HA PRO 87 -20.747 9.869 -13.328 644 HB2 PRO 87 HB2 PRO 87 -21.030 12.445 -12.451 645 HB3 PRO 87 HB3 PRO 87 -20.767 11.063 -11.336 646 HG2 PRO 87 HG2 PRO 87 -18.734 12.978 -12.468 647 HG3 PRO 87 HG3 PRO 87 -19.018 12.523 -10.757 648 HD2 PRO 87 HD2 PRO 87 -17.087 11.335 -12.206 649 HD3 PRO 87 HD3 PRO 87 -18.091 10.379 -11.058 650 H GLN 88 H GLN 88 -22.169 10.823 -14.743 651 HA GLN 88 HA GLN 88 -21.228 12.909 -16.614 652 HB2 GLN 88 HB2 GLN 88 -20.661 10.675 -17.635 653 HB3 GLN 88 HB3 GLN 88 -22.359 10.211 -17.477 654 HG2 GLN 88 HG2 GLN 88 -23.022 11.986 -19.029 655 HG3 GLN 88 HG3 GLN 88 -21.344 12.538 -19.139 656 HE21 GLN 88 HE21 GLN 88 -23.397 11.321 -21.068 657 HE22 GLN 88 HE22 GLN 88 -22.470 10.082 -21.885 658 H PHE 89 H PHE 89 -23.098 14.020 -17.452 659 HA PHE 89 HA PHE 89 -25.617 13.321 -16.028 660 HB2 PHE 89 HB2 PHE 89 -24.695 16.057 -16.962 661 HB3 PHE 89 HB3 PHE 89 -26.155 15.684 -16.037 662 HD1 PHE 89 HD1 PHE 89 -25.478 14.098 -13.824 663 HD2 PHE 89 HD2 PHE 89 -23.031 17.094 -15.712 664 HE1 PHE 89 HE1 PHE 89 -24.186 14.364 -11.713 665 HE2 PHE 89 HE2 PHE 89 -21.737 17.372 -13.596 666 HZ PHE 89 HZ PHE 89 -22.308 16.000 -11.595 667 H GLU 90 H GLU 90 -27.530 13.547 -17.149 668 HA GLU 90 HA GLU 90 -27.336 12.979 -20.013 669 HB2 GLU 90 HB2 GLU 90 -29.570 13.008 -17.956 670 HB3 GLU 90 HB3 GLU 90 -29.865 12.658 -19.662 671 HG2 GLU 90 HG2 GLU 90 -29.695 10.577 -18.434 672 HG3 GLU 90 HG3 GLU 90 -28.347 10.730 -19.571 673 H LYS 91 H LYS 91 -29.928 14.050 -20.729 674 HA LYS 91 HA LYS 91 -29.506 16.998 -20.659 675 HB2 LYS 91 HB2 LYS 91 -30.291 15.282 -23.060 676 HB3 LYS 91 HB3 LYS 91 -30.287 17.047 -23.024 677 HG2 LYS 91 HG2 LYS 91 -27.841 15.264 -22.770 678 HG3 LYS 91 HG3 LYS 91 -28.349 16.166 -24.210 679 HD2 LYS 91 HD2 LYS 91 -28.219 18.278 -22.785 680 HD3 LYS 91 HD3 LYS 91 -27.453 17.280 -21.535 681 HE2 LYS 91 HE2 LYS 91 -25.711 18.348 -22.791 682 HE3 LYS 91 HE3 LYS 91 -25.713 16.622 -23.223 683 HZ1 LYS 91 HZ1 LYS 91 -26.998 17.200 -25.202 684 HZ2 LYS 91 HZ2 LYS 91 -25.573 18.032 -25.190 685 HZ3 LYS 91 HZ3 LYS 91 -26.982 18.796 -24.798 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.665 4.447 0.693 2 HA2 GLY 1 HA2 GLY 1 7.184 3.800 -1.491 3 HA3 GLY 1 HA3 GLY 1 5.876 2.623 -1.335 4 H ALA 2 H ALA 2 5.371 3.092 -3.689 5 HA ALA 2 HA ALA 2 3.634 5.489 -3.886 6 HB1 ALA 2 HB1 ALA 2 5.707 4.654 -5.966 7 HB2 ALA 2 HB2 ALA 2 4.521 5.952 -6.164 8 HB3 ALA 2 HB3 ALA 2 5.820 6.119 -4.946 9 H MET 3 H MET 3 1.975 5.127 -5.482 10 HA MET 3 HA MET 3 1.120 2.325 -5.586 11 HB2 MET 3 HB2 MET 3 -0.849 3.260 -6.773 12 HB3 MET 3 HB3 MET 3 -0.522 4.080 -5.237 13 HG2 MET 3 HG2 MET 3 0.504 5.941 -6.461 14 HG3 MET 3 HG3 MET 3 0.141 5.135 -7.998 15 HE1 MET 3 HE1 MET 3 -2.378 8.215 -7.678 16 HE2 MET 3 HE2 MET 3 -0.779 8.169 -6.990 17 HE3 MET 3 HE3 MET 3 -1.038 7.540 -8.621 18 H ALA 4 H ALA 4 0.695 1.103 -7.514 19 HA ALA 4 HA ALA 4 2.648 1.602 -9.632 20 HB1 ALA 4 HB1 ALA 4 2.021 -0.759 -8.912 21 HB2 ALA 4 HB2 ALA 4 0.362 -0.445 -9.493 22 HB3 ALA 4 HB3 ALA 4 1.698 -0.486 -10.635 23 H LYS 5 H LYS 5 2.129 2.007 -11.817 24 HA LYS 5 HA LYS 5 -0.300 3.623 -12.252 25 HB2 LYS 5 HB2 LYS 5 1.942 2.738 -14.146 26 HB3 LYS 5 HB3 LYS 5 0.542 3.718 -14.631 27 HG2 LYS 5 HG2 LYS 5 1.275 5.414 -12.995 28 HG3 LYS 5 HG3 LYS 5 2.729 4.458 -12.658 29 HD2 LYS 5 HD2 LYS 5 3.339 4.648 -15.048 30 HD3 LYS 5 HD3 LYS 5 1.873 5.591 -15.333 31 HE2 LYS 5 HE2 LYS 5 2.694 7.313 -13.740 32 HE3 LYS 5 HE3 LYS 5 4.159 6.363 -13.459 33 HZ1 LYS 5 HZ1 LYS 5 4.532 8.106 -15.109 34 HZ2 LYS 5 HZ2 LYS 5 3.337 7.523 -16.078 35 HZ3 LYS 5 HZ3 LYS 5 4.708 6.639 -15.824 36 H ALA 6 H ALA 6 -2.013 2.892 -13.624 37 HA ALA 6 HA ALA 6 -2.467 0.055 -13.722 38 HB1 ALA 6 HB1 ALA 6 -4.307 1.747 -13.639 39 HB2 ALA 6 HB2 ALA 6 -3.872 2.309 -15.248 40 HB3 ALA 6 HB3 ALA 6 -4.506 0.683 -15.001 41 HA PRO 7 HA PRO 7 -0.236 -0.528 -17.473 42 HB2 PRO 7 HB2 PRO 7 -1.548 -2.462 -18.852 43 HB3 PRO 7 HB3 PRO 7 -0.640 -2.773 -17.346 44 HG2 PRO 7 HG2 PRO 7 -3.566 -2.333 -17.694 45 HG3 PRO 7 HG3 PRO 7 -2.724 -3.658 -16.844 46 HD2 PRO 7 HD2 PRO 7 -3.683 -1.535 -15.508 47 HD3 PRO 7 HD3 PRO 7 -2.153 -2.297 -15.028 48 H GLU 8 H GLU 8 -0.253 -0.244 -19.781 49 HA GLU 8 HA GLU 8 -1.852 1.937 -20.603 50 HB2 GLU 8 HB2 GLU 8 -0.188 -0.117 -22.093 51 HB3 GLU 8 HB3 GLU 8 -1.017 1.199 -22.925 52 HG2 GLU 8 HG2 GLU 8 0.244 2.833 -21.528 53 HG3 GLU 8 HG3 GLU 8 1.114 1.487 -20.780 54 H SER 9 H SER 9 -3.431 2.105 -22.270 55 HA SER 9 HA SER 9 -5.183 -0.341 -22.387 56 HB2 SER 9 HB2 SER 9 -6.028 2.586 -22.374 57 HB3 SER 9 HB3 SER 9 -7.099 1.160 -22.525 58 HG SER 9 HG SER 9 -5.312 1.632 -20.354 59 H ALA 10 H ALA 10 -6.290 -0.757 -24.326 60 HA ALA 10 HA ALA 10 -4.826 -0.180 -26.703 61 HB1 ALA 10 HB1 ALA 10 -6.754 -1.250 -27.844 62 HB2 ALA 10 HB2 ALA 10 -6.175 -2.198 -26.472 63 HB3 ALA 10 HB3 ALA 10 -7.644 -1.218 -26.336 64 H THR 11 H THR 11 -7.655 1.341 -25.234 65 HA THR 11 HA THR 11 -8.608 2.888 -27.365 66 HB THR 11 HB THR 11 -8.381 3.868 -24.474 67 HG1 THR 11 HG1 THR 11 -10.569 2.379 -25.271 68 HG21 THR 11 HG21 THR 11 -9.415 5.439 -26.203 69 HG22 THR 11 HG22 THR 11 -10.556 4.942 -24.930 70 HG23 THR 11 HG23 THR 11 -10.633 4.185 -26.532 71 H GLU 12 H GLU 12 -5.868 3.560 -25.144 72 HA GLU 12 HA GLU 12 -5.389 6.264 -25.872 73 HB2 GLU 12 HB2 GLU 12 -3.401 4.146 -24.978 74 HB3 GLU 12 HB3 GLU 12 -3.168 5.887 -24.865 75 HG2 GLU 12 HG2 GLU 12 -4.903 6.074 -23.196 76 HG3 GLU 12 HG3 GLU 12 -5.383 4.409 -23.398 77 H LYS 13 H LYS 13 -4.418 3.173 -27.264 78 HA LYS 13 HA LYS 13 -2.316 4.359 -28.876 79 HB2 LYS 13 HB2 LYS 13 -3.845 1.826 -29.371 80 HB3 LYS 13 HB3 LYS 13 -2.246 2.219 -29.987 81 HG2 LYS 13 HG2 LYS 13 -2.965 1.739 -27.088 82 HG3 LYS 13 HG3 LYS 13 -2.129 0.638 -28.070 83 HD2 LYS 13 HD2 LYS 13 -0.234 1.385 -27.181 84 HD3 LYS 13 HD3 LYS 13 -0.404 2.622 -28.429 85 HE2 LYS 13 HE2 LYS 13 0.074 3.760 -26.372 86 HE3 LYS 13 HE3 LYS 13 -1.638 4.067 -26.704 87 HZ1 LYS 13 HZ1 LYS 13 -1.541 3.433 -24.469 88 HZ2 LYS 13 HZ2 LYS 13 -0.437 2.217 -24.704 89 HZ3 LYS 13 HZ3 LYS 13 -2.013 2.020 -25.198 90 H VAL 14 H VAL 14 -5.740 3.629 -29.382 91 HA VAL 14 HA VAL 14 -5.830 4.155 -32.211 92 HB VAL 14 HB VAL 14 -7.996 4.386 -30.030 93 HG11 VAL 14 HG11 VAL 14 -8.203 4.451 -33.067 94 HG12 VAL 14 HG12 VAL 14 -9.577 4.268 -31.977 95 HG13 VAL 14 HG13 VAL 14 -8.647 5.765 -31.934 96 HG21 VAL 14 HG21 VAL 14 -7.129 2.129 -30.295 97 HG22 VAL 14 HG22 VAL 14 -8.809 2.266 -30.890 98 HG23 VAL 14 HG23 VAL 14 -7.423 2.204 -32.030 99 H LEU 15 H LEU 15 -6.310 6.034 -29.206 100 HA LEU 15 HA LEU 15 -6.917 8.504 -30.495 101 HB2 LEU 15 HB2 LEU 15 -5.799 7.751 -27.807 102 HB3 LEU 15 HB3 LEU 15 -6.137 9.412 -28.222 103 HG LEU 15 HG LEU 15 -8.219 7.178 -28.281 104 HD11 LEU 15 HD11 LEU 15 -7.262 7.306 -26.048 105 HD12 LEU 15 HD12 LEU 15 -8.884 8.069 -26.002 106 HD13 LEU 15 HD13 LEU 15 -7.405 9.055 -26.013 107 HD21 LEU 15 HD21 LEU 15 -9.791 9.089 -28.074 108 HD22 LEU 15 HD22 LEU 15 -8.807 9.210 -29.528 109 HD23 LEU 15 HD23 LEU 15 -8.460 10.236 -28.121 110 H CYS 16 H CYS 16 -3.790 7.116 -29.404 111 HA CYS 16 HA CYS 16 -2.220 9.391 -30.008 112 HB2 CYS 16 HB2 CYS 16 -1.604 6.425 -30.265 113 HB3 CYS 16 HB3 CYS 16 -0.390 7.658 -30.520 114 HG CYS 16 HG CYS 16 -0.859 8.792 -28.115 115 H ALA 17 H ALA 17 -3.207 6.742 -32.260 116 HA ALA 17 HA ALA 17 -1.692 7.848 -34.446 117 HB1 ALA 17 HB1 ALA 17 -3.001 6.237 -35.831 118 HB2 ALA 17 HB2 ALA 17 -2.370 5.448 -34.356 119 HB3 ALA 17 HB3 ALA 17 -4.080 5.914 -34.430 120 H LEU 18 H LEU 18 -5.025 8.249 -33.282 121 HA LEU 18 HA LEU 18 -5.996 9.755 -35.515 122 HB2 LEU 18 HB2 LEU 18 -6.894 9.003 -32.861 123 HB3 LEU 18 HB3 LEU 18 -7.475 10.584 -33.403 124 HG LEU 18 HG LEU 18 -8.442 9.587 -35.411 125 HD11 LEU 18 HD11 LEU 18 -7.541 6.857 -34.313 126 HD12 LEU 18 HD12 LEU 18 -6.824 7.680 -35.735 127 HD13 LEU 18 HD13 LEU 18 -8.512 7.178 -35.784 128 HD21 LEU 18 HD21 LEU 18 -9.258 8.106 -32.889 129 HD22 LEU 18 HD22 LEU 18 -10.237 8.421 -34.345 130 HD23 LEU 18 HD23 LEU 18 -9.721 9.757 -33.310 131 H TYR 19 H TYR 19 -4.245 10.598 -32.577 132 HA TYR 19 HA TYR 19 -4.584 13.463 -32.798 133 HB2 TYR 19 HB2 TYR 19 -2.636 11.590 -31.488 134 HB3 TYR 19 HB3 TYR 19 -2.135 13.215 -31.722 135 HD1 TYR 19 HD1 TYR 19 -5.545 11.865 -30.675 136 HD2 TYR 19 HD2 TYR 19 -2.074 14.227 -29.579 137 HE1 TYR 19 HE1 TYR 19 -6.627 12.480 -28.538 138 HE2 TYR 19 HE2 TYR 19 -3.207 14.806 -27.418 139 HH TYR 19 HH TYR 19 -5.141 14.676 -26.198 140 H ALA 20 H ALA 20 -2.111 11.083 -34.075 141 HA ALA 20 HA ALA 20 -0.570 13.056 -35.278 142 HB1 ALA 20 HB1 ALA 20 -0.891 10.185 -36.238 143 HB2 ALA 20 HB2 ALA 20 0.510 11.244 -36.439 144 HB3 ALA 20 HB3 ALA 20 0.061 10.641 -34.819 145 H GLU 21 H GLU 21 -3.296 11.262 -36.693 146 HA GLU 21 HA GLU 21 -2.794 12.344 -39.341 147 HB2 GLU 21 HB2 GLU 21 -4.814 11.311 -40.062 148 HB3 GLU 21 HB3 GLU 21 -4.196 10.256 -38.746 149 HG2 GLU 21 HG2 GLU 21 -5.824 11.145 -37.195 150 HG3 GLU 21 HG3 GLU 21 -6.409 12.258 -38.456 151 H ILE 22 H ILE 22 -4.567 13.547 -36.544 152 HA ILE 22 HA ILE 22 -5.959 15.572 -38.135 153 HB ILE 22 HB ILE 22 -5.802 15.005 -35.127 154 HG12 ILE 22 HG12 ILE 22 -7.007 13.421 -36.623 155 HG13 ILE 22 HG13 ILE 22 -8.099 14.180 -35.427 156 HG21 ILE 22 HG21 ILE 22 -6.170 17.333 -35.187 157 HG22 ILE 22 HG22 ILE 22 -7.254 17.201 -36.582 158 HG23 ILE 22 HG23 ILE 22 -7.770 16.601 -34.983 159 HD11 ILE 22 HD11 ILE 22 -7.890 15.253 -38.243 160 HD12 ILE 22 HD12 ILE 22 -8.923 13.889 -37.858 161 HD13 ILE 22 HD13 ILE 22 -9.233 15.439 -37.063 162 H LEU 23 H LEU 23 -3.245 15.457 -35.900 163 HA LEU 23 HA LEU 23 -2.887 18.374 -35.929 164 HB2 LEU 23 HB2 LEU 23 -1.214 16.104 -34.788 165 HB3 LEU 23 HB3 LEU 23 -0.844 17.805 -34.611 166 HG LEU 23 HG LEU 23 -3.533 16.766 -33.656 167 HD11 LEU 23 HD11 LEU 23 -0.915 16.634 -32.179 168 HD12 LEU 23 HD12 LEU 23 -1.940 15.280 -32.641 169 HD13 LEU 23 HD13 LEU 23 -2.495 16.458 -31.417 170 HD21 LEU 23 HD21 LEU 23 -3.093 19.166 -33.793 171 HD22 LEU 23 HD22 LEU 23 -1.662 18.960 -32.741 172 HD23 LEU 23 HD23 LEU 23 -3.268 18.638 -32.110 173 H GLY 24 H GLY 24 -1.792 15.553 -37.660 174 HA2 GLY 24 HA2 GLY 24 -0.656 15.470 -39.615 175 HA3 GLY 24 HA3 GLY 24 -0.447 17.248 -39.621 176 H VAL 25 H VAL 25 0.529 15.456 -36.764 177 HA VAL 25 HA VAL 25 3.335 16.255 -37.295 178 HB VAL 25 HB VAL 25 3.720 15.606 -34.895 179 HG11 VAL 25 HG11 VAL 25 2.427 17.492 -33.931 180 HG12 VAL 25 HG12 VAL 25 3.018 17.922 -35.529 181 HG13 VAL 25 HG13 VAL 25 1.297 17.485 -35.297 182 HG21 VAL 25 HG21 VAL 25 0.700 15.068 -34.786 183 HG22 VAL 25 HG22 VAL 25 1.926 13.835 -34.754 184 HG23 VAL 25 HG23 VAL 25 1.846 14.986 -33.441 185 H GLU 26 H GLU 26 5.068 14.708 -36.700 186 HA GLU 26 HA GLU 26 4.568 12.329 -38.273 187 HB2 GLU 26 HB2 GLU 26 7.153 12.188 -37.106 188 HB3 GLU 26 HB3 GLU 26 6.751 12.569 -38.772 189 HG2 GLU 26 HG2 GLU 26 8.171 14.337 -38.089 190 HG3 GLU 26 HG3 GLU 26 6.556 15.035 -37.979 191 H ARG 27 H ARG 27 4.870 13.136 -34.937 192 HA ARG 27 HA ARG 27 4.322 10.292 -34.193 193 HB2 ARG 27 HB2 ARG 27 6.145 10.218 -32.585 194 HB3 ARG 27 HB3 ARG 27 6.743 10.482 -34.233 195 HG2 ARG 27 HG2 ARG 27 6.914 12.966 -33.678 196 HG3 ARG 27 HG3 ARG 27 6.580 12.559 -32.002 197 HD2 ARG 27 HD2 ARG 27 8.535 11.042 -31.999 198 HD3 ARG 27 HD3 ARG 27 8.885 11.526 -33.670 199 HE ARG 27 HE ARG 27 8.618 13.875 -32.109 200 HH11 ARG 27 HH11 ARG 27 10.876 11.184 -32.479 201 HH12 ARG 27 HH12 ARG 27 12.249 12.144 -31.965 202 HH21 ARG 27 HH21 ARG 27 10.396 15.038 -31.455 203 HH22 ARG 27 HH22 ARG 27 11.968 14.291 -31.414 204 H VAL 28 H VAL 28 3.571 9.963 -32.064 205 HA VAL 28 HA VAL 28 2.777 12.391 -30.524 206 HB VAL 28 HB VAL 28 0.950 9.991 -31.235 207 HG11 VAL 28 HG11 VAL 28 -0.826 11.382 -30.109 208 HG12 VAL 28 HG12 VAL 28 0.437 10.853 -29.033 209 HG13 VAL 28 HG13 VAL 28 0.446 12.535 -29.615 210 HG21 VAL 28 HG21 VAL 28 -0.356 11.493 -32.603 211 HG22 VAL 28 HG22 VAL 28 0.611 12.901 -32.117 212 HG23 VAL 28 HG23 VAL 28 1.302 11.591 -33.123 213 H GLY 29 H GLY 29 3.263 12.119 -28.348 214 HA2 GLY 29 HA2 GLY 29 3.930 9.435 -27.381 215 HA3 GLY 29 HA3 GLY 29 4.114 10.911 -26.510 216 H VAL 30 H VAL 30 2.960 8.656 -25.259 217 HA VAL 30 HA VAL 30 0.062 8.827 -25.375 218 HB VAL 30 HB VAL 30 0.255 7.747 -22.982 219 HG11 VAL 30 HG11 VAL 30 -0.496 6.596 -25.052 220 HG12 VAL 30 HG12 VAL 30 1.188 6.228 -25.454 221 HG13 VAL 30 HG13 VAL 30 0.508 5.561 -23.965 222 HG21 VAL 30 HG21 VAL 30 3.085 7.195 -24.062 223 HG22 VAL 30 HG22 VAL 30 2.711 8.340 -22.726 224 HG23 VAL 30 HG23 VAL 30 2.350 6.588 -22.579 225 H ASP 31 H ASP 31 2.462 10.808 -23.972 226 HA ASP 31 HA ASP 31 0.483 12.021 -22.084 227 HB2 ASP 31 HB2 ASP 31 2.972 10.968 -21.539 228 HB3 ASP 31 HB3 ASP 31 3.337 12.701 -21.742 229 H ASP 32 H ASP 32 1.101 12.453 -25.111 230 HA ASP 32 HA ASP 32 2.326 15.118 -25.104 231 HB2 ASP 32 HB2 ASP 32 1.858 13.019 -27.032 232 HB3 ASP 32 HB3 ASP 32 1.164 14.524 -27.628 233 H ALA 33 H ALA 33 1.258 17.020 -25.031 234 HA ALA 33 HA ALA 33 -1.650 16.867 -24.783 235 HB1 ALA 33 HB1 ALA 33 0.340 19.147 -24.656 236 HB2 ALA 33 HB2 ALA 33 -1.407 19.405 -24.478 237 HB3 ALA 33 HB3 ALA 33 -0.503 18.386 -23.294 238 H PHE 34 H PHE 34 -3.141 17.341 -26.254 239 HA PHE 34 HA PHE 34 -2.585 17.331 -29.001 240 HB2 PHE 34 HB2 PHE 34 -4.749 16.816 -27.928 241 HB3 PHE 34 HB3 PHE 34 -4.980 18.525 -27.567 242 HD1 PHE 34 HD1 PHE 34 -4.764 16.030 -30.334 243 HD2 PHE 34 HD2 PHE 34 -5.726 20.054 -29.231 244 HE1 PHE 34 HE1 PHE 34 -5.878 16.333 -32.509 245 HE2 PHE 34 HE2 PHE 34 -6.877 20.390 -31.414 246 HZ PHE 34 HZ PHE 34 -6.956 18.518 -33.056 247 H HIS 35 H HIS 35 -2.977 20.168 -26.842 248 HA HIS 35 HA HIS 35 -2.800 22.021 -29.092 249 HB2 HIS 35 HB2 HIS 35 -2.926 23.772 -27.440 250 HB3 HIS 35 HB3 HIS 35 -4.154 22.541 -27.112 251 HD1 HIS 35 HD1 HIS 35 -4.241 21.702 -24.759 252 HD2 HIS 35 HD2 HIS 35 -0.590 23.499 -25.670 253 HE1 HIS 35 HE1 HIS 35 -2.879 21.772 -22.610 254 H ASP 36 H ASP 36 -0.438 20.392 -27.129 255 HA ASP 36 HA ASP 36 1.632 22.490 -27.312 256 HB2 ASP 36 HB2 ASP 36 1.405 20.597 -25.582 257 HB3 ASP 36 HB3 ASP 36 1.921 19.471 -26.847 258 H LEU 37 H LEU 37 0.580 19.581 -28.999 259 HA LEU 37 HA LEU 37 2.637 19.684 -31.020 260 HB2 LEU 37 HB2 LEU 37 0.022 18.183 -30.868 261 HB3 LEU 37 HB3 LEU 37 1.296 17.900 -32.077 262 HG LEU 37 HG LEU 37 1.637 17.477 -29.079 263 HD11 LEU 37 HD11 LEU 37 0.853 15.569 -31.348 264 HD12 LEU 37 HD12 LEU 37 -0.074 15.928 -29.856 265 HD13 LEU 37 HD13 LEU 37 1.464 15.048 -29.773 266 HD21 LEU 37 HD21 LEU 37 3.345 16.646 -31.492 267 HD22 LEU 37 HD22 LEU 37 3.641 16.213 -29.764 268 HD23 LEU 37 HD23 LEU 37 3.759 17.918 -30.295 269 H GLY 38 H GLY 38 0.675 22.089 -30.628 270 HA2 GLY 38 HA2 GLY 38 0.272 23.722 -32.228 271 HA3 GLY 38 HA3 GLY 38 0.441 22.545 -33.513 272 H GLY 39 H GLY 39 -1.679 21.374 -31.144 273 HA2 GLY 39 HA2 GLY 39 -3.940 21.683 -32.918 274 HA3 GLY 39 HA3 GLY 39 -3.937 20.979 -31.317 275 H SER 40 H SER 40 -6.091 22.369 -32.077 276 HA SER 40 HA SER 40 -6.031 24.708 -30.234 277 HB2 SER 40 HB2 SER 40 -7.254 26.075 -31.870 278 HB3 SER 40 HB3 SER 40 -5.656 25.614 -32.517 279 HG SER 40 HG SER 40 -6.705 24.728 -34.088 280 H SER 41 H SER 41 -8.299 25.391 -29.723 281 HA SER 41 HA SER 41 -9.940 23.177 -29.075 282 HB2 SER 41 HB2 SER 41 -10.898 26.026 -29.429 283 HB3 SER 41 HB3 SER 41 -11.561 24.806 -28.348 284 HG SER 41 HG SER 41 -10.124 26.328 -27.308 285 H ALA 42 H ALA 42 -9.898 25.183 -31.965 286 HA ALA 42 HA ALA 42 -12.437 24.261 -33.028 287 HB1 ALA 42 HB1 ALA 42 -11.627 25.329 -35.100 288 HB2 ALA 42 HB2 ALA 42 -11.419 26.387 -33.670 289 HB3 ALA 42 HB3 ALA 42 -10.035 25.552 -34.373 290 H LEU 43 H LEU 43 -8.979 23.346 -33.450 291 HA LEU 43 HA LEU 43 -9.473 21.385 -35.473 292 HB2 LEU 43 HB2 LEU 43 -7.289 22.465 -34.806 293 HB3 LEU 43 HB3 LEU 43 -7.225 21.350 -33.433 294 HG LEU 43 HG LEU 43 -7.259 19.463 -35.110 295 HD11 LEU 43 HD11 LEU 43 -8.208 20.434 -37.035 296 HD12 LEU 43 HD12 LEU 43 -6.517 20.071 -37.459 297 HD13 LEU 43 HD13 LEU 43 -7.018 21.755 -37.083 298 HD21 LEU 43 HD21 LEU 43 -4.880 19.762 -35.771 299 HD22 LEU 43 HD22 LEU 43 -5.188 20.225 -34.073 300 HD23 LEU 43 HD23 LEU 43 -4.978 21.474 -35.316 301 H ALA 44 H ALA 44 -9.561 21.331 -31.941 302 HA ALA 44 HA ALA 44 -9.481 18.529 -31.533 303 HB1 ALA 44 HB1 ALA 44 -11.019 20.662 -29.977 304 HB2 ALA 44 HB2 ALA 44 -10.675 19.040 -29.384 305 HB3 ALA 44 HB3 ALA 44 -9.323 20.175 -29.686 306 H MET 45 H MET 45 -12.086 20.591 -32.704 307 HA MET 45 HA MET 45 -14.210 18.760 -32.271 308 HB2 MET 45 HB2 MET 45 -13.930 20.813 -34.459 309 HB3 MET 45 HB3 MET 45 -15.427 20.045 -33.985 310 HG2 MET 45 HG2 MET 45 -15.330 21.027 -31.775 311 HG3 MET 45 HG3 MET 45 -13.757 21.797 -32.170 312 HE1 MET 45 HE1 MET 45 -16.567 23.414 -31.184 313 HE2 MET 45 HE2 MET 45 -14.852 23.947 -31.232 314 HE3 MET 45 HE3 MET 45 -16.122 24.880 -32.094 315 H ARG 46 H ARG 46 -11.677 18.923 -34.721 316 HA ARG 46 HA ARG 46 -12.994 17.183 -36.661 317 HB2 ARG 46 HB2 ARG 46 -10.042 17.851 -36.296 318 HB3 ARG 46 HB3 ARG 46 -10.799 17.122 -37.729 319 HG2 ARG 46 HG2 ARG 46 -11.171 19.930 -36.698 320 HG3 ARG 46 HG3 ARG 46 -10.310 19.412 -38.130 321 HD2 ARG 46 HD2 ARG 46 -12.615 18.397 -38.914 322 HD3 ARG 46 HD3 ARG 46 -13.314 19.362 -37.626 323 HE ARG 46 HE ARG 46 -11.601 20.959 -39.282 324 HH11 ARG 46 HH11 ARG 46 -14.722 19.327 -39.491 325 HH12 ARG 46 HH12 ARG 46 -15.394 20.510 -40.587 326 HH21 ARG 46 HH21 ARG 46 -12.517 22.425 -40.674 327 HH22 ARG 46 HH22 ARG 46 -14.150 22.217 -41.254 328 H LEU 47 H LEU 47 -10.667 16.918 -34.023 329 HA LEU 47 HA LEU 47 -9.933 14.150 -34.312 330 HB2 LEU 47 HB2 LEU 47 -8.818 15.852 -32.787 331 HB3 LEU 47 HB3 LEU 47 -10.245 15.802 -31.754 332 HG LEU 47 HG LEU 47 -9.735 13.349 -31.427 333 HD11 LEU 47 HD11 LEU 47 -7.446 12.550 -31.921 334 HD12 LEU 47 HD12 LEU 47 -7.121 14.065 -32.781 335 HD13 LEU 47 HD13 LEU 47 -8.335 12.934 -33.410 336 HD21 LEU 47 HD21 LEU 47 -8.012 13.761 -29.722 337 HD22 LEU 47 HD22 LEU 47 -9.134 15.149 -29.789 338 HD23 LEU 47 HD23 LEU 47 -7.540 15.259 -30.555 339 H ILE 48 H ILE 48 -12.533 15.768 -32.411 340 HA ILE 48 HA ILE 48 -13.589 13.412 -31.270 341 HB ILE 48 HB ILE 48 -14.915 16.049 -32.005 342 HG12 ILE 48 HG12 ILE 48 -14.131 14.990 -29.281 343 HG13 ILE 48 HG13 ILE 48 -12.987 15.882 -30.297 344 HG21 ILE 48 HG21 ILE 48 -16.051 13.787 -30.263 345 HG22 ILE 48 HG22 ILE 48 -16.744 15.405 -30.409 346 HG23 ILE 48 HG23 ILE 48 -16.697 14.319 -31.818 347 HD11 ILE 48 HD11 ILE 48 -14.531 17.782 -30.316 348 HD12 ILE 48 HD12 ILE 48 -15.603 16.911 -29.210 349 HD13 ILE 48 HD13 ILE 48 -13.974 17.327 -28.696 350 H ALA 49 H ALA 49 -14.225 14.953 -34.430 351 HA ALA 49 HA ALA 49 -16.406 13.282 -35.116 352 HB1 ALA 49 HB1 ALA 49 -15.765 15.299 -36.404 353 HB2 ALA 49 HB2 ALA 49 -14.288 14.457 -36.997 354 HB3 ALA 49 HB3 ALA 49 -15.893 13.859 -37.453 355 H ARG 50 H ARG 50 -12.832 12.772 -35.606 356 HA ARG 50 HA ARG 50 -13.181 10.266 -36.919 357 HB2 ARG 50 HB2 ARG 50 -10.925 11.632 -35.406 358 HB3 ARG 50 HB3 ARG 50 -10.807 10.009 -36.106 359 HG2 ARG 50 HG2 ARG 50 -11.918 11.895 -38.047 360 HG3 ARG 50 HG3 ARG 50 -10.357 12.425 -37.439 361 HD2 ARG 50 HD2 ARG 50 -10.080 11.000 -39.375 362 HD3 ARG 50 HD3 ARG 50 -9.449 10.239 -37.918 363 HE ARG 50 HE ARG 50 -12.162 9.473 -38.868 364 HH11 ARG 50 HH11 ARG 50 -8.784 8.452 -38.259 365 HH12 ARG 50 HH12 ARG 50 -9.238 6.771 -38.345 366 HH21 ARG 50 HH21 ARG 50 -12.564 7.323 -38.959 367 HH22 ARG 50 HH22 ARG 50 -11.282 6.160 -38.707 368 H ILE 51 H ILE 51 -12.948 11.137 -33.500 369 HA ILE 51 HA ILE 51 -12.466 8.530 -32.491 370 HB ILE 51 HB ILE 51 -14.060 10.809 -31.199 371 HG12 ILE 51 HG12 ILE 51 -11.251 9.807 -30.556 372 HG13 ILE 51 HG13 ILE 51 -11.519 11.101 -31.678 373 HG21 ILE 51 HG21 ILE 51 -14.756 8.751 -30.140 374 HG22 ILE 51 HG22 ILE 51 -13.109 8.113 -30.123 375 HG23 ILE 51 HG23 ILE 51 -13.568 9.476 -29.063 376 HD11 ILE 51 HD11 ILE 51 -12.558 12.496 -29.901 377 HD12 ILE 51 HD12 ILE 51 -12.365 11.160 -28.736 378 HD13 ILE 51 HD13 ILE 51 -10.951 11.978 -29.407 379 H ARG 52 H ARG 52 -15.466 10.060 -33.659 380 HA ARG 52 HA ARG 52 -17.281 8.118 -32.576 381 HB2 ARG 52 HB2 ARG 52 -17.517 9.760 -35.105 382 HB3 ARG 52 HB3 ARG 52 -18.807 8.816 -34.374 383 HG2 ARG 52 HG2 ARG 52 -19.025 10.294 -32.539 384 HG3 ARG 52 HG3 ARG 52 -17.395 10.974 -32.764 385 HD2 ARG 52 HD2 ARG 52 -18.125 11.901 -34.928 386 HD3 ARG 52 HD3 ARG 52 -19.790 11.355 -34.569 387 HE ARG 52 HE ARG 52 -18.968 12.821 -32.327 388 HH11 ARG 52 HH11 ARG 52 -19.533 13.535 -35.740 389 HH12 ARG 52 HH12 ARG 52 -19.944 15.207 -35.402 390 HH21 ARG 52 HH21 ARG 52 -19.508 14.877 -31.965 391 HH22 ARG 52 HH22 ARG 52 -19.914 15.963 -33.281 392 H GLU 53 H GLU 53 -15.287 8.082 -35.506 393 HA GLU 53 HA GLU 53 -16.794 5.857 -36.720 394 HB2 GLU 53 HB2 GLU 53 -14.008 6.814 -37.333 395 HB3 GLU 53 HB3 GLU 53 -15.114 5.995 -38.449 396 HG2 GLU 53 HG2 GLU 53 -15.326 8.821 -37.368 397 HG3 GLU 53 HG3 GLU 53 -15.043 8.427 -39.041 398 H GLU 54 H GLU 54 -13.855 6.428 -34.863 399 HA GLU 54 HA GLU 54 -12.919 3.680 -35.185 400 HB2 GLU 54 HB2 GLU 54 -11.968 5.866 -33.380 401 HB3 GLU 54 HB3 GLU 54 -11.157 4.324 -33.556 402 HG2 GLU 54 HG2 GLU 54 -11.608 6.394 -35.757 403 HG3 GLU 54 HG3 GLU 54 -10.119 6.153 -34.865 404 H LEU 55 H LEU 55 -14.246 5.585 -32.372 405 HA LEU 55 HA LEU 55 -14.205 3.001 -30.820 406 HB2 LEU 55 HB2 LEU 55 -14.517 5.845 -29.816 407 HB3 LEU 55 HB3 LEU 55 -14.336 4.429 -28.801 408 HG LEU 55 HG LEU 55 -12.209 5.706 -30.602 409 HD11 LEU 55 HD11 LEU 55 -12.327 5.385 -27.553 410 HD12 LEU 55 HD12 LEU 55 -12.774 6.877 -28.441 411 HD13 LEU 55 HD13 LEU 55 -11.082 6.288 -28.495 412 HD21 LEU 55 HD21 LEU 55 -11.797 3.279 -30.567 413 HD22 LEU 55 HD22 LEU 55 -12.049 3.237 -28.833 414 HD23 LEU 55 HD23 LEU 55 -10.604 4.073 -29.497 415 H GLY 56 H GLY 56 -16.245 4.817 -32.574 416 HA2 GLY 56 HA2 GLY 56 -18.535 4.634 -32.885 417 HA3 GLY 56 HA3 GLY 56 -18.533 3.370 -31.676 418 H VAL 57 H VAL 57 -17.304 6.512 -30.798 419 HA VAL 57 HA VAL 57 -19.880 7.111 -29.424 420 HB VAL 57 HB VAL 57 -18.630 7.632 -27.269 421 HG11 VAL 57 HG11 VAL 57 -18.338 4.732 -28.128 422 HG12 VAL 57 HG12 VAL 57 -18.483 5.347 -26.503 423 HG13 VAL 57 HG13 VAL 57 -19.842 5.470 -27.614 424 HG21 VAL 57 HG21 VAL 57 -16.347 7.844 -28.268 425 HG22 VAL 57 HG22 VAL 57 -16.397 6.737 -26.895 426 HG23 VAL 57 HG23 VAL 57 -16.330 6.104 -28.546 427 H ASP 58 H ASP 58 -20.274 9.207 -28.931 428 HA ASP 58 HA ASP 58 -18.584 11.154 -30.385 429 HB2 ASP 58 HB2 ASP 58 -21.093 11.163 -30.515 430 HB3 ASP 58 HB3 ASP 58 -21.116 11.697 -28.824 431 H LEU 59 H LEU 59 -16.719 11.188 -29.188 432 HA LEU 59 HA LEU 59 -16.654 11.245 -26.346 433 HB2 LEU 59 HB2 LEU 59 -14.808 10.570 -27.807 434 HB3 LEU 59 HB3 LEU 59 -14.584 12.262 -28.275 435 HG LEU 59 HG LEU 59 -14.634 11.948 -25.395 436 HD11 LEU 59 HD11 LEU 59 -12.463 10.422 -26.827 437 HD12 LEU 59 HD12 LEU 59 -13.739 9.718 -25.801 438 HD13 LEU 59 HD13 LEU 59 -12.509 10.812 -25.085 439 HD21 LEU 59 HD21 LEU 59 -12.630 13.270 -25.488 440 HD22 LEU 59 HD22 LEU 59 -13.843 13.913 -26.658 441 HD23 LEU 59 HD23 LEU 59 -12.472 12.954 -27.239 442 HA PRO 60 HA PRO 60 -17.994 15.473 -25.787 443 HB2 PRO 60 HB2 PRO 60 -16.794 15.128 -23.046 444 HB3 PRO 60 HB3 PRO 60 -18.447 15.640 -23.514 445 HG2 PRO 60 HG2 PRO 60 -18.027 13.198 -22.537 446 HG3 PRO 60 HG3 PRO 60 -19.149 13.440 -23.932 447 HD2 PRO 60 HD2 PRO 60 -16.261 12.521 -23.965 448 HD3 PRO 60 HD3 PRO 60 -17.714 11.864 -24.802 449 H ILE 61 H ILE 61 -16.970 17.329 -26.348 450 HA ILE 61 HA ILE 61 -14.127 17.589 -26.316 451 HB ILE 61 HB ILE 61 -15.861 18.910 -27.704 452 HG12 ILE 61 HG12 ILE 61 -13.669 20.584 -26.449 453 HG13 ILE 61 HG13 ILE 61 -13.329 19.259 -27.549 454 HG21 ILE 61 HG21 ILE 61 -17.191 19.769 -25.710 455 HG22 ILE 61 HG22 ILE 61 -15.829 20.845 -25.334 456 HG23 ILE 61 HG23 ILE 61 -16.702 21.020 -26.882 457 HD11 ILE 61 HD11 ILE 61 -14.724 20.389 -29.327 458 HD12 ILE 61 HD12 ILE 61 -14.979 21.738 -28.244 459 HD13 ILE 61 HD13 ILE 61 -13.322 21.359 -28.822 460 H ARG 62 H ARG 62 -16.473 18.024 -23.849 461 HA ARG 62 HA ARG 62 -14.954 19.664 -22.047 462 HB2 ARG 62 HB2 ARG 62 -17.386 19.161 -21.840 463 HB3 ARG 62 HB3 ARG 62 -17.003 17.498 -21.420 464 HG2 ARG 62 HG2 ARG 62 -17.532 18.755 -19.399 465 HG3 ARG 62 HG3 ARG 62 -15.804 18.341 -19.383 466 HD2 ARG 62 HD2 ARG 62 -16.428 20.972 -20.628 467 HD3 ARG 62 HD3 ARG 62 -16.850 20.864 -18.904 468 HE ARG 62 HE ARG 62 -14.285 19.861 -19.051 469 HH11 ARG 62 HH11 ARG 62 -15.811 22.943 -19.947 470 HH12 ARG 62 HH12 ARG 62 -14.364 23.858 -19.575 471 HH21 ARG 62 HH21 ARG 62 -12.488 21.064 -18.661 472 HH22 ARG 62 HH22 ARG 62 -12.525 22.828 -18.871 473 H GLN 63 H GLN 63 -14.827 16.181 -22.781 474 HA GLN 63 HA GLN 63 -13.116 15.598 -20.476 475 HB2 GLN 63 HB2 GLN 63 -14.425 14.153 -22.623 476 HB3 GLN 63 HB3 GLN 63 -12.779 13.623 -22.461 477 HG2 GLN 63 HG2 GLN 63 -14.325 12.269 -21.060 478 HG3 GLN 63 HG3 GLN 63 -13.089 13.095 -20.110 479 HE21 GLN 63 HE21 GLN 63 -16.462 13.270 -21.180 480 HE22 GLN 63 HE22 GLN 63 -17.013 14.323 -19.877 481 H LEU 64 H LEU 64 -12.653 16.358 -23.919 482 HA LEU 64 HA LEU 64 -9.802 15.941 -23.895 483 HB2 LEU 64 HB2 LEU 64 -11.752 17.425 -25.602 484 HB3 LEU 64 HB3 LEU 64 -10.073 17.836 -25.761 485 HG LEU 64 HG LEU 64 -11.046 14.981 -25.947 486 HD11 LEU 64 HD11 LEU 64 -11.036 15.220 -28.362 487 HD12 LEU 64 HD12 LEU 64 -10.691 16.962 -28.219 488 HD13 LEU 64 HD13 LEU 64 -12.208 16.279 -27.634 489 HD21 LEU 64 HD21 LEU 64 -8.971 14.607 -27.162 490 HD22 LEU 64 HD22 LEU 64 -8.657 15.292 -25.553 491 HD23 LEU 64 HD23 LEU 64 -8.542 16.344 -26.991 492 H PHE 65 H PHE 65 -11.802 18.814 -23.138 493 HA PHE 65 HA PHE 65 -9.431 20.437 -22.688 494 HB2 PHE 65 HB2 PHE 65 -12.281 20.788 -21.706 495 HB3 PHE 65 HB3 PHE 65 -10.979 21.983 -21.572 496 HD1 PHE 65 HD2 PHE 65 -9.753 21.398 -24.443 497 HD2 PHE 65 HD1 PHE 65 -13.704 22.252 -22.980 498 HE1 PHE 65 HE2 PHE 65 -10.331 22.387 -26.644 499 HE2 PHE 65 HE1 PHE 65 -14.300 23.276 -25.195 500 HZ PHE 65 HZ PHE 65 -12.611 23.314 -27.027 501 H SER 66 H SER 66 -11.153 18.058 -20.805 502 HA SER 66 HA SER 66 -10.355 19.045 -18.200 503 HB2 SER 66 HB2 SER 66 -12.306 17.516 -18.647 504 HB3 SER 66 HB3 SER 66 -11.158 16.228 -19.021 505 HG SER 66 HG SER 66 -11.653 16.029 -16.906 506 H SER 67 H SER 67 -9.094 16.872 -20.675 507 HA SER 67 HA SER 67 -6.434 17.057 -19.496 508 HB2 SER 67 HB2 SER 67 -7.524 15.101 -18.328 509 HB3 SER 67 HB3 SER 67 -7.657 14.318 -19.931 510 HG SER 67 HG SER 67 -5.670 14.068 -18.449 511 HA PRO 68 HA PRO 68 -6.530 17.029 -23.967 512 HB2 PRO 68 HB2 PRO 68 -4.322 18.452 -24.534 513 HB3 PRO 68 HB3 PRO 68 -5.713 19.190 -23.727 514 HG2 PRO 68 HG2 PRO 68 -3.220 18.041 -22.441 515 HG3 PRO 68 HG3 PRO 68 -3.903 19.670 -22.245 516 HD2 PRO 68 HD2 PRO 68 -4.449 17.677 -20.499 517 HD3 PRO 68 HD3 PRO 68 -5.691 18.905 -20.936 518 H THR 69 H THR 69 -4.408 15.129 -22.146 519 HA THR 69 HA THR 69 -2.720 14.467 -24.483 520 HB THR 69 HB THR 69 -1.505 12.972 -22.882 521 HG1 THR 69 HG1 THR 69 -2.170 13.238 -20.647 522 HG21 THR 69 HG21 THR 69 -1.989 15.701 -21.642 523 HG22 THR 69 HG22 THR 69 -0.870 15.407 -23.020 524 HG23 THR 69 HG23 THR 69 -0.548 14.655 -21.477 525 HA PRO 70 HA PRO 70 -5.235 11.227 -25.639 526 HB2 PRO 70 HB2 PRO 70 -3.654 9.193 -26.545 527 HB3 PRO 70 HB3 PRO 70 -3.768 10.754 -27.365 528 HG2 PRO 70 HG2 PRO 70 -1.712 9.864 -25.469 529 HG3 PRO 70 HG3 PRO 70 -1.553 10.580 -27.115 530 HD2 PRO 70 HD2 PRO 70 -1.332 12.145 -24.942 531 HD3 PRO 70 HD3 PRO 70 -2.200 12.731 -26.397 532 H ALA 71 H ALA 71 -2.664 10.149 -23.341 533 HA ALA 71 HA ALA 71 -4.230 7.862 -22.490 534 HB1 ALA 71 HB1 ALA 71 -1.862 9.260 -21.176 535 HB2 ALA 71 HB2 ALA 71 -2.534 7.690 -20.700 536 HB3 ALA 71 HB3 ALA 71 -1.773 7.870 -22.275 537 H GLY 72 H GLY 72 -3.848 11.272 -21.604 538 HA2 GLY 72 HA2 GLY 72 -5.082 11.038 -19.036 539 HA3 GLY 72 HA3 GLY 72 -4.828 12.502 -19.942 540 H VAL 73 H VAL 73 -6.383 11.913 -22.257 541 HA VAL 73 HA VAL 73 -8.954 12.543 -21.163 542 HB VAL 73 HB VAL 73 -8.013 13.289 -23.415 543 HG11 VAL 73 HG11 VAL 73 -8.888 10.533 -24.339 544 HG12 VAL 73 HG12 VAL 73 -8.340 11.887 -25.356 545 HG13 VAL 73 HG13 VAL 73 -7.192 11.126 -24.232 546 HG21 VAL 73 HG21 VAL 73 -10.205 13.304 -24.507 547 HG22 VAL 73 HG22 VAL 73 -10.771 11.995 -23.449 548 HG23 VAL 73 HG23 VAL 73 -10.334 13.612 -22.799 549 H ALA 74 H ALA 74 -7.402 9.549 -22.205 550 HA ALA 74 HA ALA 74 -9.767 7.936 -22.231 551 HB1 ALA 74 HB1 ALA 74 -8.196 6.037 -21.942 552 HB2 ALA 74 HB2 ALA 74 -7.517 7.213 -23.129 553 HB3 ALA 74 HB3 ALA 74 -6.919 7.156 -21.470 554 H ARG 75 H ARG 75 -7.574 8.907 -19.539 555 HA ARG 75 HA ARG 75 -9.026 7.299 -17.636 556 HB2 ARG 75 HB2 ARG 75 -7.199 9.684 -17.169 557 HB3 ARG 75 HB3 ARG 75 -7.839 8.623 -15.905 558 HG2 ARG 75 HG2 ARG 75 -6.680 6.698 -17.016 559 HG3 ARG 75 HG3 ARG 75 -5.959 7.837 -18.167 560 HD2 ARG 75 HD2 ARG 75 -4.338 7.427 -16.459 561 HD3 ARG 75 HD3 ARG 75 -4.954 9.058 -16.221 562 HE ARG 75 HE ARG 75 -5.611 6.627 -14.592 563 HH11 ARG 75 HH11 ARG 75 -5.635 10.185 -14.814 564 HH12 ARG 75 HH12 ARG 75 -6.098 10.342 -13.146 565 HH21 ARG 75 HH21 ARG 75 -6.183 6.948 -12.490 566 HH22 ARG 75 HH22 ARG 75 -6.352 8.568 -11.849 567 H ALA 76 H ALA 76 -9.272 10.648 -18.798 568 HA ALA 76 HA ALA 76 -10.957 11.557 -16.702 569 HB1 ALA 76 HB1 ALA 76 -9.768 13.101 -18.212 570 HB2 ALA 76 HB2 ALA 76 -10.750 12.536 -19.582 571 HB3 ALA 76 HB3 ALA 76 -11.522 13.417 -18.238 572 H LEU 77 H LEU 77 -11.764 10.048 -19.862 573 HA LEU 77 HA LEU 77 -14.592 10.414 -19.468 574 HB2 LEU 77 HB2 LEU 77 -14.884 9.098 -21.457 575 HB3 LEU 77 HB3 LEU 77 -13.607 10.256 -21.674 576 HG LEU 77 HG LEU 77 -12.068 8.183 -21.105 577 HD11 LEU 77 HD11 LEU 77 -14.509 6.965 -22.377 578 HD12 LEU 77 HD12 LEU 77 -13.852 6.581 -20.760 579 HD13 LEU 77 HD13 LEU 77 -12.878 6.174 -22.189 580 HD21 LEU 77 HD21 LEU 77 -11.955 9.525 -23.110 581 HD22 LEU 77 HD22 LEU 77 -13.327 8.646 -23.779 582 HD23 LEU 77 HD23 LEU 77 -11.789 7.818 -23.471 583 H ALA 78 H ALA 78 -12.239 7.842 -18.730 584 HA ALA 78 HA ALA 78 -14.218 5.887 -18.029 585 HB1 ALA 78 HB1 ALA 78 -11.354 6.284 -17.073 586 HB2 ALA 78 HB2 ALA 78 -12.342 4.845 -16.724 587 HB3 ALA 78 HB3 ALA 78 -11.901 5.238 -18.391 588 H ALA 79 H ALA 79 -12.759 8.594 -16.230 589 HA ALA 79 HA ALA 79 -13.733 7.876 -13.643 590 HB1 ALA 79 HB1 ALA 79 -13.216 10.667 -14.812 591 HB2 ALA 79 HB2 ALA 79 -13.303 10.219 -13.064 592 HB3 ALA 79 HB3 ALA 79 -11.997 9.576 -14.031 593 H LYS 80 H LYS 80 -15.378 9.260 -16.433 594 HA LYS 80 HA LYS 80 -17.559 10.481 -14.980 595 HB2 LYS 80 HB2 LYS 80 -16.921 10.852 -17.405 596 HB3 LYS 80 HB3 LYS 80 -17.662 9.295 -17.797 597 HG2 LYS 80 HG2 LYS 80 -19.811 10.166 -16.853 598 HG3 LYS 80 HG3 LYS 80 -19.011 11.687 -16.547 599 HD2 LYS 80 HD2 LYS 80 -18.613 11.985 -18.970 600 HD3 LYS 80 HD3 LYS 80 -19.364 10.414 -19.261 601 HE2 LYS 80 HE2 LYS 80 -20.984 12.163 -19.691 602 HE3 LYS 80 HE3 LYS 80 -21.466 11.183 -18.353 603 HZ1 LYS 80 HZ1 LYS 80 -20.604 12.881 -16.832 604 HZ2 LYS 80 HZ2 LYS 80 -21.722 13.542 -17.844 605 HZ3 LYS 80 HZ3 LYS 80 -20.136 13.804 -18.106 606 H SER 81 H SER 81 -16.863 7.148 -15.934 607 HA SER 81 HA SER 81 -19.548 6.151 -15.815 608 HB2 SER 81 HB2 SER 81 -16.943 4.638 -15.257 609 HB3 SER 81 HB3 SER 81 -18.524 3.958 -15.747 610 HG SER 81 HG SER 81 -17.574 4.112 -17.612 611 H ALA 82 H ALA 82 -17.095 6.746 -13.328 612 HA ALA 82 HA ALA 82 -18.352 5.181 -11.276 613 HB1 ALA 82 HB1 ALA 82 -16.913 6.407 -9.771 614 HB2 ALA 82 HB2 ALA 82 -15.952 6.032 -11.285 615 HB3 ALA 82 HB3 ALA 82 -16.625 7.667 -10.961 616 H SER 83 H SER 83 -19.177 8.178 -12.749 617 HA SER 83 HA SER 83 -20.874 8.970 -10.426 618 HB2 SER 83 HB2 SER 83 -19.090 10.510 -11.703 619 HB3 SER 83 HB3 SER 83 -20.439 10.721 -12.849 620 HG SER 83 HG SER 83 -21.705 11.489 -11.159 621 H TRP 84 H TRP 84 -21.299 6.876 -12.724 622 HA TRP 84 HA TRP 84 -23.976 7.872 -13.554 623 HB2 TRP 84 HB2 TRP 84 -21.637 7.323 -15.220 624 HB3 TRP 84 HB3 TRP 84 -22.993 6.318 -15.647 625 HD1 TRP 84 HD1 TRP 84 -22.143 10.057 -15.213 626 HE1 TRP 84 HE1 TRP 84 -23.726 11.472 -16.618 627 HE3 TRP 84 HE3 TRP 84 -25.152 6.317 -16.972 628 HZ2 TRP 84 HZ2 TRP 84 -25.999 11.087 -18.312 629 HZ3 TRP 84 HZ3 TRP 84 -27.065 6.894 -18.479 630 HH2 TRP 84 HH2 TRP 84 -27.452 9.256 -19.130 631 H SER 85 H SER 85 -25.516 6.349 -13.911 632 HA SER 85 HA SER 85 -25.114 3.840 -12.457 633 HB2 SER 85 HB2 SER 85 -27.469 3.420 -13.242 634 HB3 SER 85 HB3 SER 85 -27.250 4.928 -12.339 635 HG SER 85 HG SER 85 -27.202 4.739 -15.181 636 H HIS 86 H HIS 86 -24.726 1.877 -13.241 637 HA HIS 86 HA HIS 86 -23.918 1.677 -16.037 638 HB2 HIS 86 HB2 HIS 86 -24.035 -0.251 -13.668 639 HB3 HIS 86 HB3 HIS 86 -23.598 -0.791 -15.297 640 HD1 HIS 86 HD1 HIS 86 -21.458 -1.185 -13.243 641 HD2 HIS 86 HD2 HIS 86 -21.900 2.337 -15.399 642 HE1 HIS 86 HE1 HIS 86 -19.213 -0.024 -13.194 643 HA PRO 87 HA PRO 87 -27.845 0.495 -17.397 644 HB2 PRO 87 HB2 PRO 87 -27.402 -0.975 -19.620 645 HB3 PRO 87 HB3 PRO 87 -26.884 0.732 -19.513 646 HG2 PRO 87 HG2 PRO 87 -25.222 -1.723 -19.041 647 HG3 PRO 87 HG3 PRO 87 -24.933 -0.318 -20.141 648 HD2 PRO 87 HD2 PRO 87 -23.858 -0.429 -17.632 649 HD3 PRO 87 HD3 PRO 87 -24.424 1.119 -18.326 650 H GLN 88 H GLN 88 -25.806 -1.912 -16.145 651 HA GLN 88 HA GLN 88 -28.045 -3.850 -15.914 652 HB2 GLN 88 HB2 GLN 88 -26.273 -4.438 -17.766 653 HB3 GLN 88 HB3 GLN 88 -25.205 -4.737 -16.385 654 HG2 GLN 88 HG2 GLN 88 -26.163 -6.833 -17.035 655 HG3 GLN 88 HG3 GLN 88 -26.890 -6.381 -15.498 656 HE21 GLN 88 HE21 GLN 88 -27.409 -6.669 -18.981 657 HE22 GLN 88 HE22 GLN 88 -29.145 -6.633 -18.913 658 H PHE 89 H PHE 89 -27.996 -4.822 -13.849 659 HA PHE 89 HA PHE 89 -26.582 -3.301 -11.855 660 HB2 PHE 89 HB2 PHE 89 -28.221 -5.848 -11.608 661 HB3 PHE 89 HB3 PHE 89 -27.674 -4.837 -10.277 662 HD1 PHE 89 HD1 PHE 89 -28.654 -2.589 -9.895 663 HD2 PHE 89 HD2 PHE 89 -30.144 -5.177 -12.995 664 HE1 PHE 89 HE1 PHE 89 -30.714 -1.213 -10.049 665 HE2 PHE 89 HE2 PHE 89 -32.207 -3.806 -13.168 666 HZ PHE 89 HZ PHE 89 -32.504 -1.802 -11.683 667 H GLU 90 H GLU 90 -25.051 -4.119 -10.378 668 HA GLU 90 HA GLU 90 -22.960 -5.684 -11.648 669 HB2 GLU 90 HB2 GLU 90 -23.338 -4.744 -8.791 670 HB3 GLU 90 HB3 GLU 90 -21.828 -5.456 -9.401 671 HG2 GLU 90 HG2 GLU 90 -23.139 -2.862 -10.397 672 HG3 GLU 90 HG3 GLU 90 -21.801 -2.992 -9.256 673 H LYS 91 H LYS 91 -25.640 -6.480 -9.525 674 HA LYS 91 HA LYS 91 -24.811 -9.326 -9.462 675 HB2 LYS 91 HB2 LYS 91 -25.263 -7.495 -7.119 676 HB3 LYS 91 HB3 LYS 91 -25.944 -9.107 -7.064 677 HG2 LYS 91 HG2 LYS 91 -23.983 -9.491 -5.954 678 HG3 LYS 91 HG3 LYS 91 -23.583 -9.982 -7.617 679 HD2 LYS 91 HD2 LYS 91 -22.607 -7.731 -7.990 680 HD3 LYS 91 HD3 LYS 91 -22.869 -7.331 -6.294 681 HE2 LYS 91 HE2 LYS 91 -21.225 -9.669 -7.318 682 HE3 LYS 91 HE3 LYS 91 -20.562 -8.132 -6.789 683 HZ1 LYS 91 HZ1 LYS 91 -22.089 -10.056 -5.118 684 HZ2 LYS 91 HZ2 LYS 91 -21.624 -8.546 -4.610 685 HZ3 LYS 91 HZ3 LYS 91 -20.483 -9.683 -4.981 Start of MODEL 17 1 H1 GLY 1 H GLY 1 11.343 3.449 -4.300 2 HA2 GLY 1 HA2 GLY 1 12.238 3.895 -6.422 3 HA3 GLY 1 HA3 GLY 1 11.416 2.417 -6.960 4 H ALA 2 H ALA 2 11.362 4.035 -8.971 5 HA ALA 2 HA ALA 2 9.337 6.091 -8.882 6 HB1 ALA 2 HB1 ALA 2 9.480 5.966 -11.359 7 HB2 ALA 2 HB2 ALA 2 11.105 6.018 -10.636 8 HB3 ALA 2 HB3 ALA 2 10.442 4.475 -11.236 9 H MET 3 H MET 3 7.166 5.938 -9.692 10 HA MET 3 HA MET 3 5.896 3.383 -9.098 11 HB2 MET 3 HB2 MET 3 4.870 5.579 -8.525 12 HB3 MET 3 HB3 MET 3 4.746 5.960 -10.247 13 HG2 MET 3 HG2 MET 3 2.601 5.188 -9.336 14 HG3 MET 3 HG3 MET 3 3.216 4.082 -10.578 15 HE1 MET 3 HE1 MET 3 1.979 1.945 -10.060 16 HE2 MET 3 HE2 MET 3 1.653 1.329 -8.420 17 HE3 MET 3 HE3 MET 3 0.956 2.880 -8.942 18 H ALA 4 H ALA 4 5.153 1.887 -10.532 19 HA ALA 4 HA ALA 4 6.143 2.002 -13.259 20 HB1 ALA 4 HB1 ALA 4 4.257 0.029 -11.886 21 HB2 ALA 4 HB2 ALA 4 5.042 -0.211 -13.463 22 HB3 ALA 4 HB3 ALA 4 6.030 -0.126 -11.984 23 H LYS 5 H LYS 5 4.846 1.954 -15.173 24 HA LYS 5 HA LYS 5 2.520 3.674 -15.167 25 HB2 LYS 5 HB2 LYS 5 3.945 1.917 -17.161 26 HB3 LYS 5 HB3 LYS 5 2.290 2.402 -17.523 27 HG2 LYS 5 HG2 LYS 5 4.518 4.384 -16.930 28 HG3 LYS 5 HG3 LYS 5 4.044 3.848 -18.557 29 HD2 LYS 5 HD2 LYS 5 1.644 4.561 -17.881 30 HD3 LYS 5 HD3 LYS 5 2.423 5.468 -16.572 31 HE2 LYS 5 HE2 LYS 5 3.061 5.750 -19.534 32 HE3 LYS 5 HE3 LYS 5 1.971 6.809 -18.634 33 HZ1 LYS 5 HZ1 LYS 5 4.867 6.507 -18.147 34 HZ2 LYS 5 HZ2 LYS 5 3.850 7.446 -17.247 35 HZ3 LYS 5 HZ3 LYS 5 4.104 7.805 -18.838 36 H ALA 6 H ALA 6 0.350 3.112 -15.364 37 HA ALA 6 HA ALA 6 -0.464 0.543 -14.287 38 HB1 ALA 6 HB1 ALA 6 -1.803 2.653 -13.976 39 HB2 ALA 6 HB2 ALA 6 -2.090 2.703 -15.737 40 HB3 ALA 6 HB3 ALA 6 -2.750 1.368 -14.760 41 HA PRO 7 HA PRO 7 -0.171 -1.535 -18.134 42 HB2 PRO 7 HB2 PRO 7 -2.255 -3.335 -18.152 43 HB3 PRO 7 HB3 PRO 7 -0.804 -3.526 -17.116 44 HG2 PRO 7 HG2 PRO 7 -3.479 -2.329 -16.402 45 HG3 PRO 7 HG3 PRO 7 -2.547 -3.599 -15.541 46 HD2 PRO 7 HD2 PRO 7 -2.427 -1.041 -14.746 47 HD3 PRO 7 HD3 PRO 7 -0.939 -2.052 -14.775 48 H GLU 8 H GLU 8 -0.691 -1.137 -20.194 49 HA GLU 8 HA GLU 8 -2.650 0.931 -20.620 50 HB2 GLU 8 HB2 GLU 8 -0.885 -0.588 -22.552 51 HB3 GLU 8 HB3 GLU 8 -1.760 0.901 -22.901 52 HG2 GLU 8 HG2 GLU 8 0.110 1.970 -22.287 53 HG3 GLU 8 HG3 GLU 8 -0.341 1.574 -20.621 54 H SER 9 H SER 9 -4.265 1.098 -22.150 55 HA SER 9 HA SER 9 -5.652 -1.480 -22.809 56 HB2 SER 9 HB2 SER 9 -7.005 0.149 -21.574 57 HB3 SER 9 HB3 SER 9 -6.625 1.408 -22.767 58 HG SER 9 HG SER 9 -8.687 0.334 -23.078 59 H ALA 10 H ALA 10 -6.414 -1.820 -24.968 60 HA ALA 10 HA ALA 10 -4.660 -0.927 -27.051 61 HB1 ALA 10 HB1 ALA 10 -7.408 -2.243 -27.225 62 HB2 ALA 10 HB2 ALA 10 -6.227 -2.106 -28.550 63 HB3 ALA 10 HB3 ALA 10 -5.845 -3.092 -27.120 64 H THR 11 H THR 11 -7.696 0.269 -25.782 65 HA THR 11 HA THR 11 -8.531 1.853 -27.965 66 HB THR 11 HB THR 11 -8.706 2.683 -24.998 67 HG1 THR 11 HG1 THR 11 -10.487 0.889 -26.279 68 HG21 THR 11 HG21 THR 11 -10.693 2.916 -27.333 69 HG22 THR 11 HG22 THR 11 -9.757 4.252 -26.634 70 HG23 THR 11 HG23 THR 11 -10.993 3.448 -25.652 71 H GLU 12 H GLU 12 -6.051 2.429 -25.518 72 HA GLU 12 HA GLU 12 -5.758 5.239 -25.822 73 HB2 GLU 12 HB2 GLU 12 -3.598 3.205 -25.276 74 HB3 GLU 12 HB3 GLU 12 -3.512 4.934 -24.930 75 HG2 GLU 12 HG2 GLU 12 -5.222 4.690 -23.252 76 HG3 GLU 12 HG3 GLU 12 -5.490 3.013 -23.644 77 H LYS 13 H LYS 13 -4.514 2.544 -27.687 78 HA LYS 13 HA LYS 13 -2.420 4.098 -28.891 79 HB2 LYS 13 HB2 LYS 13 -3.614 1.584 -30.028 80 HB3 LYS 13 HB3 LYS 13 -1.899 2.107 -30.030 81 HG2 LYS 13 HG2 LYS 13 -3.467 1.211 -27.516 82 HG3 LYS 13 HG3 LYS 13 -2.349 0.217 -28.346 83 HD2 LYS 13 HD2 LYS 13 -0.464 1.821 -27.999 84 HD3 LYS 13 HD3 LYS 13 -1.572 2.931 -27.121 85 HE2 LYS 13 HE2 LYS 13 -2.091 0.861 -25.550 86 HE3 LYS 13 HE3 LYS 13 -0.537 0.259 -26.169 87 HZ1 LYS 13 HZ1 LYS 13 -1.104 2.721 -24.565 88 HZ2 LYS 13 HZ2 LYS 13 0.322 2.534 -25.381 89 HZ3 LYS 13 HZ3 LYS 13 -0.090 1.475 -24.192 90 H VAL 14 H VAL 14 -5.743 3.219 -29.807 91 HA VAL 14 HA VAL 14 -5.526 4.188 -32.498 92 HB VAL 14 HB VAL 14 -7.950 3.998 -30.633 93 HG11 VAL 14 HG11 VAL 14 -8.401 5.496 -32.534 94 HG12 VAL 14 HG12 VAL 14 -7.731 4.313 -33.669 95 HG13 VAL 14 HG13 VAL 14 -9.243 3.962 -32.822 96 HG21 VAL 14 HG21 VAL 14 -6.895 2.036 -32.673 97 HG22 VAL 14 HG22 VAL 14 -6.953 1.792 -30.911 98 HG23 VAL 14 HG23 VAL 14 -8.459 1.916 -31.847 99 H LEU 15 H LEU 15 -6.547 5.570 -29.334 100 HA LEU 15 HA LEU 15 -7.179 8.176 -30.274 101 HB2 LEU 15 HB2 LEU 15 -6.159 7.158 -27.629 102 HB3 LEU 15 HB3 LEU 15 -6.734 8.796 -27.849 103 HG LEU 15 HG LEU 15 -8.446 6.251 -28.500 104 HD11 LEU 15 HD11 LEU 15 -7.546 6.213 -26.222 105 HD12 LEU 15 HD12 LEU 15 -9.262 6.592 -26.111 106 HD13 LEU 15 HD13 LEU 15 -7.994 7.864 -25.845 107 HD21 LEU 15 HD21 LEU 15 -9.124 9.231 -27.830 108 HD22 LEU 15 HD22 LEU 15 -10.312 7.911 -28.043 109 HD23 LEU 15 HD23 LEU 15 -9.273 8.406 -29.388 110 H CYS 16 H CYS 16 -4.077 6.791 -29.131 111 HA CYS 16 HA CYS 16 -2.561 9.178 -29.226 112 HB2 CYS 16 HB2 CYS 16 -1.830 6.283 -29.792 113 HB3 CYS 16 HB3 CYS 16 -0.661 7.587 -29.812 114 HG CYS 16 HG CYS 16 -0.803 8.311 -27.402 115 H ALA 17 H ALA 17 -3.253 6.815 -31.893 116 HA ALA 17 HA ALA 17 -1.670 8.319 -33.789 117 HB1 ALA 17 HB1 ALA 17 -4.018 6.396 -34.268 118 HB2 ALA 17 HB2 ALA 17 -2.845 6.936 -35.496 119 HB3 ALA 17 HB3 ALA 17 -2.307 5.928 -34.133 120 H LEU 18 H LEU 18 -5.062 8.413 -32.824 121 HA LEU 18 HA LEU 18 -5.912 10.233 -34.797 122 HB2 LEU 18 HB2 LEU 18 -6.864 9.182 -32.208 123 HB3 LEU 18 HB3 LEU 18 -7.463 10.777 -32.582 124 HG LEU 18 HG LEU 18 -8.505 10.033 -34.618 125 HD11 LEU 18 HD11 LEU 18 -6.944 8.326 -35.417 126 HD12 LEU 18 HD12 LEU 18 -8.598 7.676 -35.298 127 HD13 LEU 18 HD13 LEU 18 -7.380 7.265 -34.064 128 HD21 LEU 18 HD21 LEU 18 -9.017 8.139 -32.343 129 HD22 LEU 18 HD22 LEU 18 -10.122 8.495 -33.669 130 HD23 LEU 18 HD23 LEU 18 -9.682 9.763 -32.541 131 H TYR 19 H TYR 19 -4.295 10.773 -31.670 132 HA TYR 19 HA TYR 19 -4.714 13.616 -31.536 133 HB2 TYR 19 HB2 TYR 19 -2.696 11.701 -30.469 134 HB3 TYR 19 HB3 TYR 19 -2.251 13.335 -30.516 135 HD1 TYR 19 HD1 TYR 19 -5.593 11.828 -29.633 136 HD2 TYR 19 HD2 TYR 19 -2.150 14.028 -28.237 137 HE1 TYR 19 HE1 TYR 19 -6.707 12.198 -27.396 138 HE2 TYR 19 HE2 TYR 19 -3.278 14.379 -26.069 139 HH TYR 19 HH TYR 19 -5.166 14.122 -24.831 140 H ALA 20 H ALA 20 -2.196 11.552 -33.156 141 HA ALA 20 HA ALA 20 -0.603 13.739 -33.969 142 HB1 ALA 20 HB1 ALA 20 0.426 12.158 -35.514 143 HB2 ALA 20 HB2 ALA 20 -0.002 11.237 -34.062 144 HB3 ALA 20 HB3 ALA 20 -1.018 11.123 -35.517 145 H GLU 21 H GLU 21 -3.356 12.207 -35.602 146 HA GLU 21 HA GLU 21 -3.113 13.553 -38.145 147 HB2 GLU 21 HB2 GLU 21 -5.491 12.421 -36.589 148 HB3 GLU 21 HB3 GLU 21 -5.619 13.038 -38.237 149 HG2 GLU 21 HG2 GLU 21 -3.702 10.801 -37.471 150 HG3 GLU 21 HG3 GLU 21 -5.367 10.511 -38.004 151 H ILE 22 H ILE 22 -4.609 14.443 -35.086 152 HA ILE 22 HA ILE 22 -6.010 16.758 -36.251 153 HB ILE 22 HB ILE 22 -5.667 15.724 -33.402 154 HG12 ILE 22 HG12 ILE 22 -6.932 14.196 -34.897 155 HG13 ILE 22 HG13 ILE 22 -7.925 14.791 -33.763 156 HG21 ILE 22 HG21 ILE 22 -7.701 17.192 -32.903 157 HG22 ILE 22 HG22 ILE 22 -6.185 18.058 -33.227 158 HG23 ILE 22 HG23 ILE 22 -7.453 17.934 -34.483 159 HD11 ILE 22 HD11 ILE 22 -9.106 14.780 -35.887 160 HD12 ILE 22 HD12 ILE 22 -8.934 16.437 -35.336 161 HD13 ILE 22 HD13 ILE 22 -7.839 15.797 -36.599 162 H LEU 23 H LEU 23 -3.201 16.154 -34.170 163 HA LEU 23 HA LEU 23 -2.806 19.033 -33.749 164 HB2 LEU 23 HB2 LEU 23 -1.229 16.581 -32.880 165 HB3 LEU 23 HB3 LEU 23 -0.860 18.226 -32.377 166 HG LEU 23 HG LEU 23 -3.542 16.957 -31.775 167 HD11 LEU 23 HD11 LEU 23 -1.851 15.536 -30.880 168 HD12 LEU 23 HD12 LEU 23 -2.638 16.430 -29.559 169 HD13 LEU 23 HD13 LEU 23 -1.022 16.903 -30.156 170 HD21 LEU 23 HD21 LEU 23 -3.448 19.349 -31.498 171 HD22 LEU 23 HD22 LEU 23 -1.977 19.232 -30.539 172 HD23 LEU 23 HD23 LEU 23 -3.500 18.563 -29.895 173 H GLY 24 H GLY 24 -1.472 16.570 -35.858 174 HA2 GLY 24 HA2 GLY 24 -0.045 16.940 -37.647 175 HA3 GLY 24 HA3 GLY 24 0.093 18.640 -37.174 176 H VAL 25 H VAL 25 0.775 15.941 -34.989 177 HA VAL 25 HA VAL 25 3.628 16.819 -34.957 178 HB VAL 25 HB VAL 25 3.731 15.802 -32.673 179 HG11 VAL 25 HG11 VAL 25 3.234 18.228 -32.965 180 HG12 VAL 25 HG12 VAL 25 1.493 17.870 -32.975 181 HG13 VAL 25 HG13 VAL 25 2.457 17.572 -31.513 182 HG21 VAL 25 HG21 VAL 25 1.696 15.123 -31.498 183 HG22 VAL 25 HG22 VAL 25 0.703 15.473 -32.927 184 HG23 VAL 25 HG23 VAL 25 1.879 14.140 -32.956 185 H GLU 26 H GLU 26 5.279 15.176 -34.861 186 HA GLU 26 HA GLU 26 4.682 13.061 -36.700 187 HB2 GLU 26 HB2 GLU 26 7.009 12.325 -36.246 188 HB3 GLU 26 HB3 GLU 26 6.837 13.993 -36.803 189 HG2 GLU 26 HG2 GLU 26 7.317 14.838 -34.596 190 HG3 GLU 26 HG3 GLU 26 7.302 13.202 -33.919 191 H ARG 27 H ARG 27 5.136 13.080 -33.228 192 HA ARG 27 HA ARG 27 4.413 10.137 -33.128 193 HB2 ARG 27 HB2 ARG 27 6.629 11.503 -31.626 194 HB3 ARG 27 HB3 ARG 27 5.998 9.952 -31.207 195 HG2 ARG 27 HG2 ARG 27 6.677 9.060 -33.325 196 HG3 ARG 27 HG3 ARG 27 7.124 10.667 -33.986 197 HD2 ARG 27 HD2 ARG 27 8.645 10.763 -31.761 198 HD3 ARG 27 HD3 ARG 27 8.682 8.987 -32.040 199 HE ARG 27 HE ARG 27 9.660 11.119 -33.798 200 HH11 ARG 27 HH11 ARG 27 9.068 7.642 -33.407 201 HH12 ARG 27 HH12 ARG 27 10.090 7.253 -34.762 202 HH21 ARG 27 HH21 ARG 27 10.898 10.562 -35.466 203 HH22 ARG 27 HH22 ARG 27 11.122 8.885 -35.913 204 H VAL 28 H VAL 28 3.326 9.525 -31.112 205 HA VAL 28 HA VAL 28 2.486 11.830 -29.474 206 HB VAL 28 HB VAL 28 0.657 9.652 -30.468 207 HG11 VAL 28 HG11 VAL 28 0.112 12.020 -28.678 208 HG12 VAL 28 HG12 VAL 28 -1.102 10.921 -29.370 209 HG13 VAL 28 HG13 VAL 28 0.091 10.319 -28.195 210 HG21 VAL 28 HG21 VAL 28 0.825 12.619 -31.092 211 HG22 VAL 28 HG22 VAL 28 1.192 11.293 -32.204 212 HG23 VAL 28 HG23 VAL 28 -0.450 11.505 -31.618 213 H GLY 29 H GLY 29 2.786 11.333 -27.250 214 HA2 GLY 29 HA2 GLY 29 3.529 8.618 -26.490 215 HA3 GLY 29 HA3 GLY 29 3.625 9.959 -25.473 216 H VAL 30 H VAL 30 2.594 7.844 -24.311 217 HA VAL 30 HA VAL 30 -0.333 7.790 -24.589 218 HB VAL 30 HB VAL 30 0.034 6.636 -22.179 219 HG11 VAL 30 HG11 VAL 30 0.819 5.309 -24.803 220 HG12 VAL 30 HG12 VAL 30 0.369 4.455 -23.297 221 HG13 VAL 30 HG13 VAL 30 -0.819 5.470 -24.129 222 HG21 VAL 30 HG21 VAL 30 2.155 5.557 -21.864 223 HG22 VAL 30 HG22 VAL 30 2.795 6.229 -23.377 224 HG23 VAL 30 HG23 VAL 30 2.424 7.306 -21.998 225 H ASP 31 H ASP 31 2.029 9.650 -22.971 226 HA ASP 31 HA ASP 31 0.201 10.683 -20.948 227 HB2 ASP 31 HB2 ASP 31 3.144 11.136 -21.310 228 HB3 ASP 31 HB3 ASP 31 2.186 11.661 -20.023 229 H ASP 32 H ASP 32 0.519 11.562 -24.013 230 HA ASP 32 HA ASP 32 1.696 14.033 -24.037 231 HB2 ASP 32 HB2 ASP 32 0.148 12.297 -25.942 232 HB3 ASP 32 HB3 ASP 32 0.194 14.013 -26.271 233 H ALA 33 H ALA 33 0.892 15.882 -23.210 234 HA ALA 33 HA ALA 33 -2.034 16.076 -22.600 235 HB1 ALA 33 HB1 ALA 33 0.246 18.024 -22.302 236 HB2 ALA 33 HB2 ALA 33 -1.417 18.230 -21.666 237 HB3 ALA 33 HB3 ALA 33 -0.350 16.940 -21.058 238 H PHE 34 H PHE 34 -3.374 16.472 -24.182 239 HA PHE 34 HA PHE 34 -2.841 17.154 -26.798 240 HB2 PHE 34 HB2 PHE 34 -4.964 16.308 -25.865 241 HB3 PHE 34 HB3 PHE 34 -5.303 17.999 -25.247 242 HD1 PHE 34 HD1 PHE 34 -4.791 15.867 -28.300 243 HD2 PHE 34 HD2 PHE 34 -6.209 19.620 -26.751 244 HE1 PHE 34 HE1 PHE 34 -5.846 16.366 -30.490 245 HE2 PHE 34 HE2 PHE 34 -7.290 20.126 -28.946 246 HZ PHE 34 HZ PHE 34 -7.110 18.457 -30.832 247 H HIS 35 H HIS 35 -3.519 19.552 -24.187 248 HA HIS 35 HA HIS 35 -3.547 21.760 -26.064 249 HB2 HIS 35 HB2 HIS 35 -3.512 23.141 -23.967 250 HB3 HIS 35 HB3 HIS 35 -4.826 21.965 -24.073 251 HD1 HIS 35 HD1 HIS 35 -5.181 20.635 -21.980 252 HD2 HIS 35 HD2 HIS 35 -1.256 21.985 -22.331 253 HE1 HIS 35 HE1 HIS 35 -3.975 19.928 -19.875 254 H ASP 36 H ASP 36 -0.929 20.094 -24.439 255 HA ASP 36 HA ASP 36 0.857 22.416 -24.445 256 HB2 ASP 36 HB2 ASP 36 0.953 20.384 -22.886 257 HB3 ASP 36 HB3 ASP 36 1.615 19.484 -24.260 258 H LEU 37 H LEU 37 -0.010 19.751 -26.527 259 HA LEU 37 HA LEU 37 2.168 20.169 -28.437 260 HB2 LEU 37 HB2 LEU 37 -0.425 18.604 -28.682 261 HB3 LEU 37 HB3 LEU 37 0.934 18.492 -29.773 262 HG LEU 37 HG LEU 37 1.747 17.937 -27.021 263 HD11 LEU 37 HD11 LEU 37 -0.123 15.909 -28.192 264 HD12 LEU 37 HD12 LEU 37 -0.675 17.161 -27.082 265 HD13 LEU 37 HD13 LEU 37 0.570 16.050 -26.550 266 HD21 LEU 37 HD21 LEU 37 1.797 16.240 -29.524 267 HD22 LEU 37 HD22 LEU 37 2.686 15.935 -28.034 268 HD23 LEU 37 HD23 LEU 37 3.062 17.461 -28.986 269 H GLY 38 H GLY 38 0.098 22.367 -27.708 270 HA2 GLY 38 HA2 GLY 38 -0.554 24.205 -28.987 271 HA3 GLY 38 HA3 GLY 38 -0.204 23.300 -30.467 272 H GLY 39 H GLY 39 -2.121 21.427 -28.404 273 HA2 GLY 39 HA2 GLY 39 -4.329 21.527 -30.190 274 HA3 GLY 39 HA3 GLY 39 -4.317 20.744 -28.609 275 H SER 40 H SER 40 -6.365 22.358 -30.016 276 HA SER 40 HA SER 40 -6.779 24.446 -27.916 277 HB2 SER 40 HB2 SER 40 -7.839 25.837 -29.651 278 HB3 SER 40 HB3 SER 40 -6.154 25.479 -30.090 279 HG SER 40 HG SER 40 -6.849 24.492 -31.791 280 H SER 41 H SER 41 -9.183 25.034 -27.806 281 HA SER 41 HA SER 41 -10.749 22.693 -27.378 282 HB2 SER 41 HB2 SER 41 -12.650 24.384 -27.292 283 HB3 SER 41 HB3 SER 41 -11.285 24.711 -26.199 284 HG SER 41 HG SER 41 -11.950 26.579 -27.380 285 H ALA 42 H ALA 42 -10.335 24.840 -30.164 286 HA ALA 42 HA ALA 42 -12.550 23.831 -31.690 287 HB1 ALA 42 HB1 ALA 42 -9.927 25.112 -32.573 288 HB2 ALA 42 HB2 ALA 42 -11.344 24.848 -33.620 289 HB3 ALA 42 HB3 ALA 42 -11.451 25.962 -32.235 290 H LEU 43 H LEU 43 -9.066 22.905 -31.508 291 HA LEU 43 HA LEU 43 -9.298 20.863 -33.519 292 HB2 LEU 43 HB2 LEU 43 -7.295 21.368 -31.308 293 HB3 LEU 43 HB3 LEU 43 -7.170 20.009 -32.413 294 HG LEU 43 HG LEU 43 -7.148 22.914 -33.273 295 HD11 LEU 43 HD11 LEU 43 -4.894 20.891 -32.933 296 HD12 LEU 43 HD12 LEU 43 -5.152 22.380 -31.987 297 HD13 LEU 43 HD13 LEU 43 -4.737 22.486 -33.705 298 HD21 LEU 43 HD21 LEU 43 -7.975 21.459 -35.068 299 HD22 LEU 43 HD22 LEU 43 -6.614 20.338 -34.822 300 HD23 LEU 43 HD23 LEU 43 -6.321 21.975 -35.439 301 H ALA 44 H ALA 44 -9.829 20.921 -29.997 302 HA ALA 44 HA ALA 44 -9.950 18.101 -29.649 303 HB1 ALA 44 HB1 ALA 44 -9.890 19.708 -27.751 304 HB2 ALA 44 HB2 ALA 44 -11.507 20.299 -28.180 305 HB3 ALA 44 HB3 ALA 44 -11.301 18.637 -27.606 306 H MET 45 H MET 45 -12.385 20.494 -30.862 307 HA MET 45 HA MET 45 -14.561 18.569 -30.873 308 HB2 MET 45 HB2 MET 45 -14.078 20.835 -32.828 309 HB3 MET 45 HB3 MET 45 -15.577 20.021 -32.482 310 HG2 MET 45 HG2 MET 45 -15.444 20.699 -30.114 311 HG3 MET 45 HG3 MET 45 -14.187 21.815 -30.552 312 HE1 MET 45 HE1 MET 45 -14.615 24.078 -31.904 313 HE2 MET 45 HE2 MET 45 -14.856 22.995 -33.294 314 HE3 MET 45 HE3 MET 45 -16.020 24.301 -32.965 315 H ARG 46 H ARG 46 -11.874 19.188 -33.142 316 HA ARG 46 HA ARG 46 -13.006 17.565 -35.278 317 HB2 ARG 46 HB2 ARG 46 -10.096 18.401 -34.857 318 HB3 ARG 46 HB3 ARG 46 -10.835 17.844 -36.365 319 HG2 ARG 46 HG2 ARG 46 -11.407 20.443 -34.915 320 HG3 ARG 46 HG3 ARG 46 -10.481 20.255 -36.405 321 HD2 ARG 46 HD2 ARG 46 -13.456 19.621 -36.075 322 HD3 ARG 46 HD3 ARG 46 -12.800 21.092 -36.785 323 HE ARG 46 HE ARG 46 -12.933 18.438 -38.017 324 HH11 ARG 46 HH11 ARG 46 -11.511 21.662 -38.264 325 HH12 ARG 46 HH12 ARG 46 -11.172 21.481 -39.963 326 HH21 ARG 46 HH21 ARG 46 -12.471 18.285 -40.181 327 HH22 ARG 46 HH22 ARG 46 -11.697 19.601 -41.023 328 H LEU 47 H LEU 47 -10.919 17.087 -32.532 329 HA LEU 47 HA LEU 47 -9.977 14.443 -33.215 330 HB2 LEU 47 HB2 LEU 47 -9.089 15.864 -31.386 331 HB3 LEU 47 HB3 LEU 47 -10.521 15.688 -30.537 332 HG LEU 47 HG LEU 47 -10.061 13.314 -30.152 333 HD11 LEU 47 HD11 LEU 47 -7.559 13.846 -31.805 334 HD12 LEU 47 HD12 LEU 47 -8.888 12.780 -32.244 335 HD13 LEU 47 HD13 LEU 47 -7.855 12.366 -30.867 336 HD21 LEU 47 HD21 LEU 47 -8.185 13.567 -28.621 337 HD22 LEU 47 HD22 LEU 47 -9.157 15.067 -28.601 338 HD23 LEU 47 HD23 LEU 47 -7.630 15.013 -29.484 339 H ILE 48 H ILE 48 -12.691 15.620 -31.375 340 HA ILE 48 HA ILE 48 -13.811 13.091 -30.709 341 HB ILE 48 HB ILE 48 -15.112 15.805 -31.083 342 HG12 ILE 48 HG12 ILE 48 -14.593 14.320 -28.497 343 HG13 ILE 48 HG13 ILE 48 -13.343 15.307 -29.238 344 HG21 ILE 48 HG21 ILE 48 -16.350 13.253 -29.926 345 HG22 ILE 48 HG22 ILE 48 -17.061 14.887 -29.787 346 HG23 ILE 48 HG23 ILE 48 -16.878 14.132 -31.393 347 HD11 ILE 48 HD11 ILE 48 -16.064 16.266 -28.283 348 HD12 ILE 48 HD12 ILE 48 -14.477 16.597 -27.556 349 HD13 ILE 48 HD13 ILE 48 -14.880 17.269 -29.142 350 H ALA 49 H ALA 49 -14.220 15.145 -33.610 351 HA ALA 49 HA ALA 49 -16.234 13.501 -34.780 352 HB1 ALA 49 HB1 ALA 49 -14.130 15.205 -36.177 353 HB2 ALA 49 HB2 ALA 49 -15.624 14.574 -36.905 354 HB3 ALA 49 HB3 ALA 49 -15.714 15.777 -35.594 355 H ARG 50 H ARG 50 -12.667 13.357 -34.890 356 HA ARG 50 HA ARG 50 -12.423 11.229 -36.810 357 HB2 ARG 50 HB2 ARG 50 -10.703 12.911 -35.468 358 HB3 ARG 50 HB3 ARG 50 -10.459 11.506 -34.666 359 HG2 ARG 50 HG2 ARG 50 -8.844 11.404 -36.340 360 HG3 ARG 50 HG3 ARG 50 -10.158 10.405 -37.040 361 HD2 ARG 50 HD2 ARG 50 -10.820 12.124 -38.455 362 HD3 ARG 50 HD3 ARG 50 -10.037 13.378 -37.473 363 HE ARG 50 HE ARG 50 -8.058 11.583 -38.494 364 HH11 ARG 50 HH11 ARG 50 -10.204 14.157 -39.563 365 HH12 ARG 50 HH12 ARG 50 -9.144 14.644 -40.860 366 HH21 ARG 50 HH21 ARG 50 -6.696 12.284 -40.226 367 HH22 ARG 50 HH22 ARG 50 -7.231 13.612 -41.219 368 H ILE 51 H ILE 51 -12.704 11.265 -33.194 369 HA ILE 51 HA ILE 51 -12.257 8.428 -32.736 370 HB ILE 51 HB ILE 51 -14.034 10.513 -31.135 371 HG12 ILE 51 HG12 ILE 51 -11.256 9.388 -30.548 372 HG13 ILE 51 HG13 ILE 51 -11.498 10.884 -31.424 373 HG21 ILE 51 HG21 ILE 51 -14.825 8.310 -30.685 374 HG22 ILE 51 HG22 ILE 51 -13.172 7.721 -30.502 375 HG23 ILE 51 HG23 ILE 51 -13.817 8.827 -29.305 376 HD11 ILE 51 HD11 ILE 51 -11.054 11.327 -29.013 377 HD12 ILE 51 HD12 ILE 51 -12.695 11.846 -29.445 378 HD13 ILE 51 HD13 ILE 51 -12.463 10.335 -28.568 379 H ARG 52 H ARG 52 -15.281 10.180 -33.856 380 HA ARG 52 HA ARG 52 -16.969 7.947 -33.310 381 HB2 ARG 52 HB2 ARG 52 -17.219 10.011 -35.586 382 HB3 ARG 52 HB3 ARG 52 -18.433 8.933 -35.084 383 HG2 ARG 52 HG2 ARG 52 -18.574 10.056 -32.905 384 HG3 ARG 52 HG3 ARG 52 -17.174 11.060 -33.318 385 HD2 ARG 52 HD2 ARG 52 -18.604 12.506 -34.301 386 HD3 ARG 52 HD3 ARG 52 -19.081 11.206 -35.494 387 HE ARG 52 HE ARG 52 -20.346 10.783 -32.900 388 HH11 ARG 52 HH11 ARG 52 -20.574 13.042 -35.656 389 HH12 ARG 52 HH12 ARG 52 -22.222 13.481 -35.295 390 HH21 ARG 52 HH21 ARG 52 -22.525 11.386 -32.536 391 HH22 ARG 52 HH22 ARG 52 -23.297 12.546 -33.587 392 H GLU 53 H GLU 53 -14.827 8.471 -35.960 393 HA GLU 53 HA GLU 53 -16.114 6.593 -37.701 394 HB2 GLU 53 HB2 GLU 53 -13.282 7.472 -37.898 395 HB3 GLU 53 HB3 GLU 53 -14.429 7.012 -39.205 396 HG2 GLU 53 HG2 GLU 53 -14.488 9.587 -37.610 397 HG3 GLU 53 HG3 GLU 53 -14.039 9.522 -39.272 398 H GLU 54 H GLU 54 -13.518 6.672 -35.417 399 HA GLU 54 HA GLU 54 -12.521 4.111 -36.251 400 HB2 GLU 54 HB2 GLU 54 -11.582 6.316 -34.446 401 HB3 GLU 54 HB3 GLU 54 -10.815 4.763 -34.329 402 HG2 GLU 54 HG2 GLU 54 -11.141 5.518 -37.145 403 HG3 GLU 54 HG3 GLU 54 -10.257 6.777 -36.266 404 H LEU 55 H LEU 55 -13.877 5.589 -33.209 405 HA LEU 55 HA LEU 55 -14.032 2.767 -32.046 406 HB2 LEU 55 HB2 LEU 55 -14.553 5.526 -30.780 407 HB3 LEU 55 HB3 LEU 55 -14.304 3.989 -29.934 408 HG LEU 55 HG LEU 55 -12.091 5.707 -31.192 409 HD11 LEU 55 HD11 LEU 55 -12.979 6.208 -28.969 410 HD12 LEU 55 HD12 LEU 55 -11.230 5.735 -28.940 411 HD13 LEU 55 HD13 LEU 55 -12.481 4.592 -28.444 412 HD21 LEU 55 HD21 LEU 55 -11.478 3.444 -31.752 413 HD22 LEU 55 HD22 LEU 55 -11.777 2.898 -30.107 414 HD23 LEU 55 HD23 LEU 55 -10.435 4.037 -30.442 415 H GLY 56 H GLY 56 -15.820 4.939 -33.626 416 HA2 GLY 56 HA2 GLY 56 -18.042 4.644 -34.214 417 HA3 GLY 56 HA3 GLY 56 -18.123 3.236 -33.156 418 H VAL 57 H VAL 57 -17.142 6.303 -31.782 419 HA VAL 57 HA VAL 57 -19.903 6.770 -30.775 420 HB VAL 57 HB VAL 57 -19.035 6.916 -28.373 421 HG11 VAL 57 HG11 VAL 57 -20.252 4.900 -29.207 422 HG12 VAL 57 HG12 VAL 57 -18.688 4.136 -29.572 423 HG13 VAL 57 HG13 VAL 57 -19.115 4.534 -27.891 424 HG21 VAL 57 HG21 VAL 57 -16.928 5.824 -27.749 425 HG22 VAL 57 HG22 VAL 57 -16.576 5.461 -29.451 426 HG23 VAL 57 HG23 VAL 57 -16.606 7.149 -28.885 427 H ASP 58 H ASP 58 -20.228 8.860 -29.845 428 HA ASP 58 HA ASP 58 -18.189 10.840 -30.702 429 HB2 ASP 58 HB2 ASP 58 -19.872 12.521 -29.977 430 HB3 ASP 58 HB3 ASP 58 -20.486 11.408 -31.200 431 H LEU 59 H LEU 59 -16.479 10.860 -29.397 432 HA LEU 59 HA LEU 59 -16.585 10.218 -26.641 433 HB2 LEU 59 HB2 LEU 59 -14.520 10.177 -27.894 434 HB3 LEU 59 HB3 LEU 59 -14.593 11.920 -28.144 435 HG LEU 59 HG LEU 59 -14.717 11.251 -25.328 436 HD11 LEU 59 HD11 LEU 59 -12.641 10.344 -24.862 437 HD12 LEU 59 HD12 LEU 59 -12.067 10.538 -26.524 438 HD13 LEU 59 HD13 LEU 59 -13.301 9.315 -26.145 439 HD21 LEU 59 HD21 LEU 59 -12.675 12.821 -26.884 440 HD22 LEU 59 HD22 LEU 59 -13.008 12.908 -25.137 441 HD23 LEU 59 HD23 LEU 59 -14.226 13.463 -26.298 442 HA PRO 60 HA PRO 60 -18.474 14.006 -25.215 443 HB2 PRO 60 HB2 PRO 60 -17.404 13.228 -22.536 444 HB3 PRO 60 HB3 PRO 60 -19.098 13.518 -23.024 445 HG2 PRO 60 HG2 PRO 60 -18.156 11.054 -22.479 446 HG3 PRO 60 HG3 PRO 60 -19.378 11.358 -23.756 447 HD2 PRO 60 HD2 PRO 60 -16.408 10.846 -24.077 448 HD3 PRO 60 HD3 PRO 60 -17.824 10.258 -25.032 449 H ILE 61 H ILE 61 -17.457 15.984 -25.365 450 HA ILE 61 HA ILE 61 -14.640 16.311 -25.208 451 HB ILE 61 HB ILE 61 -16.355 17.849 -26.327 452 HG12 ILE 61 HG12 ILE 61 -14.265 19.254 -24.650 453 HG13 ILE 61 HG13 ILE 61 -13.860 18.203 -26.004 454 HG21 ILE 61 HG21 ILE 61 -17.797 18.222 -24.297 455 HG22 ILE 61 HG22 ILE 61 -16.477 19.183 -23.581 456 HG23 ILE 61 HG23 ILE 61 -17.269 19.722 -25.076 457 HD11 ILE 61 HD11 ILE 61 -15.177 19.689 -27.540 458 HD12 ILE 61 HD12 ILE 61 -15.483 20.787 -26.171 459 HD13 ILE 61 HD13 ILE 61 -13.824 20.529 -26.751 460 H ARG 62 H ARG 62 -17.037 16.181 -22.761 461 HA ARG 62 HA ARG 62 -15.771 17.512 -20.625 462 HB2 ARG 62 HB2 ARG 62 -17.629 15.155 -20.760 463 HB3 ARG 62 HB3 ARG 62 -17.177 15.821 -19.259 464 HG2 ARG 62 HG2 ARG 62 -18.561 17.552 -19.328 465 HG3 ARG 62 HG3 ARG 62 -18.042 17.953 -20.962 466 HD2 ARG 62 HD2 ARG 62 -20.314 17.516 -21.231 467 HD3 ARG 62 HD3 ARG 62 -19.533 16.040 -21.815 468 HE ARG 62 HE ARG 62 -20.157 15.729 -19.050 469 HH11 ARG 62 HH11 ARG 62 -21.897 15.984 -22.125 470 HH12 ARG 62 HH12 ARG 62 -23.269 15.071 -21.509 471 HH21 ARG 62 HH21 ARG 62 -21.985 14.564 -18.383 472 HH22 ARG 62 HH22 ARG 62 -23.307 14.296 -19.503 473 H GLN 63 H GLN 63 -15.213 14.265 -22.025 474 HA GLN 63 HA GLN 63 -13.646 13.333 -19.765 475 HB2 GLN 63 HB2 GLN 63 -13.759 12.327 -22.601 476 HB3 GLN 63 HB3 GLN 63 -12.951 11.561 -21.323 477 HG2 GLN 63 HG2 GLN 63 -15.892 12.013 -21.621 478 HG3 GLN 63 HG3 GLN 63 -15.058 10.465 -21.639 479 HE21 GLN 63 HE21 GLN 63 -16.703 12.745 -19.793 480 HE22 GLN 63 HE22 GLN 63 -16.291 12.096 -18.179 481 H LEU 64 H LEU 64 -12.976 14.940 -22.916 482 HA LEU 64 HA LEU 64 -10.098 14.690 -22.749 483 HB2 LEU 64 HB2 LEU 64 -12.015 16.447 -24.264 484 HB3 LEU 64 HB3 LEU 64 -10.310 16.882 -24.241 485 HG LEU 64 HG LEU 64 -11.271 14.150 -25.135 486 HD11 LEU 64 HD11 LEU 64 -12.315 15.923 -26.516 487 HD12 LEU 64 HD12 LEU 64 -11.145 14.956 -27.432 488 HD13 LEU 64 HD13 LEU 64 -10.696 16.575 -26.860 489 HD21 LEU 64 HD21 LEU 64 -8.684 15.665 -25.673 490 HD22 LEU 64 HD22 LEU 64 -9.097 14.034 -26.263 491 HD23 LEU 64 HD23 LEU 64 -8.877 14.311 -24.529 492 H PHE 65 H PHE 65 -12.401 17.169 -21.609 493 HA PHE 65 HA PHE 65 -10.304 18.932 -20.691 494 HB2 PHE 65 HB2 PHE 65 -13.230 18.706 -19.882 495 HB3 PHE 65 HB3 PHE 65 -12.126 19.994 -19.366 496 HD1 PHE 65 HD2 PHE 65 -10.773 19.892 -22.416 497 HD2 PHE 65 HD1 PHE 65 -14.710 20.504 -20.753 498 HE1 PHE 65 HE2 PHE 65 -11.401 21.248 -24.391 499 HE2 PHE 65 HE1 PHE 65 -15.333 21.866 -22.740 500 HZ PHE 65 HZ PHE 65 -13.671 22.259 -24.553 501 H SER 66 H SER 66 -11.926 16.129 -19.300 502 HA SER 66 HA SER 66 -10.997 16.620 -16.574 503 HB2 SER 66 HB2 SER 66 -13.026 15.277 -17.184 504 HB3 SER 66 HB3 SER 66 -11.958 14.067 -17.849 505 HG SER 66 HG SER 66 -10.932 14.184 -15.640 506 H SER 67 H SER 67 -9.804 15.006 -19.474 507 HA SER 67 HA SER 67 -7.199 14.463 -18.156 508 HB2 SER 67 HB2 SER 67 -8.940 12.322 -19.425 509 HB3 SER 67 HB3 SER 67 -7.237 12.110 -18.961 510 HG SER 67 HG SER 67 -8.609 13.148 -16.915 511 HA PRO 68 HA PRO 68 -6.947 15.877 -22.463 512 HB2 PRO 68 HB2 PRO 68 -4.669 17.356 -22.323 513 HB3 PRO 68 HB3 PRO 68 -6.190 17.921 -21.558 514 HG2 PRO 68 HG2 PRO 68 -3.892 16.429 -20.305 515 HG3 PRO 68 HG3 PRO 68 -4.643 17.969 -19.782 516 HD2 PRO 68 HD2 PRO 68 -5.348 15.601 -18.692 517 HD3 PRO 68 HD3 PRO 68 -6.557 16.903 -18.976 518 H THR 69 H THR 69 -5.308 13.408 -21.025 519 HA THR 69 HA THR 69 -3.264 13.220 -23.169 520 HB THR 69 HB THR 69 -2.187 11.488 -21.775 521 HG1 THR 69 HG1 THR 69 -3.058 11.334 -19.582 522 HG21 THR 69 HG21 THR 69 -1.385 12.886 -20.045 523 HG22 THR 69 HG22 THR 69 -2.853 13.909 -20.108 524 HG23 THR 69 HG23 THR 69 -1.684 13.906 -21.463 525 HA PRO 70 HA PRO 70 -5.654 10.186 -25.038 526 HB2 PRO 70 HB2 PRO 70 -3.911 8.444 -26.207 527 HB3 PRO 70 HB3 PRO 70 -4.115 10.130 -26.810 528 HG2 PRO 70 HG2 PRO 70 -2.020 9.062 -24.921 529 HG3 PRO 70 HG3 PRO 70 -1.854 10.068 -26.397 530 HD2 PRO 70 HD2 PRO 70 -1.837 11.180 -23.973 531 HD3 PRO 70 HD3 PRO 70 -2.641 11.983 -25.365 532 H ALA 71 H ALA 71 -3.065 8.824 -22.840 533 HA ALA 71 HA ALA 71 -4.590 6.382 -22.583 534 HB1 ALA 71 HB1 ALA 71 -2.290 7.585 -20.919 535 HB2 ALA 71 HB2 ALA 71 -2.936 5.932 -20.696 536 HB3 ALA 71 HB3 ALA 71 -2.169 6.384 -22.219 537 H GLY 72 H GLY 72 -4.496 9.548 -20.980 538 HA2 GLY 72 HA2 GLY 72 -5.789 8.657 -18.577 539 HA3 GLY 72 HA3 GLY 72 -5.540 10.329 -19.105 540 H VAL 73 H VAL 73 -6.758 10.278 -21.600 541 HA VAL 73 HA VAL 73 -9.442 10.539 -20.738 542 HB VAL 73 HB VAL 73 -8.260 11.779 -22.720 543 HG11 VAL 73 HG11 VAL 73 -7.669 9.751 -23.999 544 HG12 VAL 73 HG12 VAL 73 -9.418 9.473 -24.226 545 HG13 VAL 73 HG13 VAL 73 -8.648 10.943 -24.892 546 HG21 VAL 73 HG21 VAL 73 -10.402 12.184 -22.076 547 HG22 VAL 73 HG22 VAL 73 -10.246 12.198 -23.805 548 HG23 VAL 73 HG23 VAL 73 -11.030 10.811 -22.990 549 H ALA 74 H ALA 74 -7.705 7.890 -22.355 550 HA ALA 74 HA ALA 74 -10.008 6.326 -23.039 551 HB1 ALA 74 HB1 ALA 74 -7.728 5.838 -23.884 552 HB2 ALA 74 HB2 ALA 74 -7.208 5.413 -22.235 553 HB3 ALA 74 HB3 ALA 74 -8.432 4.425 -23.062 554 H ARG 75 H ARG 75 -8.087 6.531 -19.977 555 HA ARG 75 HA ARG 75 -9.634 4.412 -18.752 556 HB2 ARG 75 HB2 ARG 75 -7.762 6.473 -17.621 557 HB3 ARG 75 HB3 ARG 75 -8.442 5.172 -16.715 558 HG2 ARG 75 HG2 ARG 75 -7.421 3.538 -18.245 559 HG3 ARG 75 HG3 ARG 75 -6.701 4.851 -19.176 560 HD2 ARG 75 HD2 ARG 75 -4.940 4.869 -17.771 561 HD3 ARG 75 HD3 ARG 75 -6.029 5.241 -16.417 562 HE ARG 75 HE ARG 75 -6.031 3.011 -15.777 563 HH11 ARG 75 HH11 ARG 75 -4.422 3.196 -18.958 564 HH12 ARG 75 HH12 ARG 75 -3.858 1.549 -18.825 565 HH21 ARG 75 HH21 ARG 75 -5.281 0.923 -15.768 566 HH22 ARG 75 HH22 ARG 75 -4.328 0.317 -17.111 567 H ALA 76 H ALA 76 -9.807 7.942 -18.891 568 HA ALA 76 HA ALA 76 -11.763 8.217 -16.815 569 HB1 ALA 76 HB1 ALA 76 -11.258 9.970 -19.283 570 HB2 ALA 76 HB2 ALA 76 -12.132 10.459 -17.811 571 HB3 ALA 76 HB3 ALA 76 -10.393 10.099 -17.736 572 H LEU 77 H LEU 77 -12.184 7.973 -20.405 573 HA LEU 77 HA LEU 77 -15.034 7.996 -20.211 574 HB2 LEU 77 HB2 LEU 77 -14.993 7.119 -22.550 575 HB3 LEU 77 HB3 LEU 77 -13.929 8.516 -22.332 576 HG LEU 77 HG LEU 77 -12.137 6.571 -21.966 577 HD11 LEU 77 HD11 LEU 77 -13.854 5.390 -24.140 578 HD12 LEU 77 HD12 LEU 77 -13.661 4.703 -22.405 579 HD13 LEU 77 HD13 LEU 77 -12.370 4.742 -23.583 580 HD21 LEU 77 HD21 LEU 77 -12.067 8.479 -23.480 581 HD22 LEU 77 HD22 LEU 77 -13.139 7.638 -24.607 582 HD23 LEU 77 HD23 LEU 77 -11.502 7.015 -24.297 583 H ALA 78 H ALA 78 -12.655 5.419 -20.038 584 HA ALA 78 HA ALA 78 -14.526 3.278 -20.206 585 HB1 ALA 78 HB1 ALA 78 -12.806 1.936 -19.041 586 HB2 ALA 78 HB2 ALA 78 -12.083 2.912 -20.340 587 HB3 ALA 78 HB3 ALA 78 -11.909 3.416 -18.639 588 H ALA 79 H ALA 79 -13.353 5.199 -17.410 589 HA ALA 79 HA ALA 79 -14.928 3.742 -15.479 590 HB1 ALA 79 HB1 ALA 79 -14.427 5.656 -13.990 591 HB2 ALA 79 HB2 ALA 79 -12.964 5.134 -14.857 592 HB3 ALA 79 HB3 ALA 79 -13.833 6.597 -15.378 593 H LYS 80 H LYS 80 -15.484 6.690 -17.426 594 HA LYS 80 HA LYS 80 -17.932 7.440 -16.175 595 HB2 LYS 80 HB2 LYS 80 -16.578 8.930 -17.595 596 HB3 LYS 80 HB3 LYS 80 -16.920 7.918 -18.991 597 HG2 LYS 80 HG2 LYS 80 -18.304 9.785 -19.258 598 HG3 LYS 80 HG3 LYS 80 -19.392 8.517 -18.713 599 HD2 LYS 80 HD2 LYS 80 -18.167 10.490 -16.747 600 HD3 LYS 80 HD3 LYS 80 -19.576 10.934 -17.714 601 HE2 LYS 80 HE2 LYS 80 -19.409 8.672 -15.691 602 HE3 LYS 80 HE3 LYS 80 -20.294 10.190 -15.515 603 HZ1 LYS 80 HZ1 LYS 80 -20.917 7.950 -17.344 604 HZ2 LYS 80 HZ2 LYS 80 -21.662 9.426 -17.450 605 HZ3 LYS 80 HZ3 LYS 80 -21.829 8.506 -16.090 606 H SER 81 H SER 81 -17.283 5.182 -18.836 607 HA SER 81 HA SER 81 -20.148 4.917 -19.435 608 HB2 SER 81 HB2 SER 81 -19.345 3.186 -21.043 609 HB3 SER 81 HB3 SER 81 -18.574 4.770 -21.262 610 HG SER 81 HG SER 81 -16.727 4.031 -20.368 611 H ALA 82 H ALA 82 -18.078 3.627 -17.065 612 HA ALA 82 HA ALA 82 -19.430 1.032 -16.938 613 HB1 ALA 82 HB1 ALA 82 -17.048 1.242 -16.302 614 HB2 ALA 82 HB2 ALA 82 -17.492 2.382 -15.014 615 HB3 ALA 82 HB3 ALA 82 -18.035 0.694 -14.925 616 H SER 83 H SER 83 -21.569 1.193 -16.443 617 HA SER 83 HA SER 83 -22.704 3.071 -14.606 618 HB2 SER 83 HB2 SER 83 -23.829 0.329 -15.225 619 HB3 SER 83 HB3 SER 83 -24.708 1.828 -14.860 620 HG SER 83 HG SER 83 -24.805 1.709 -17.017 621 H TRP 84 H TRP 84 -20.720 0.405 -13.995 622 HA TRP 84 HA TRP 84 -21.897 -0.333 -11.414 623 HB2 TRP 84 HB2 TRP 84 -19.385 -1.113 -12.914 624 HB3 TRP 84 HB3 TRP 84 -19.669 -1.599 -11.237 625 HD1 TRP 84 HD1 TRP 84 -20.691 -2.490 -14.768 626 HE1 TRP 84 HE1 TRP 84 -22.284 -4.473 -14.787 627 HE3 TRP 84 HE3 TRP 84 -21.620 -2.685 -9.742 628 HZ2 TRP 84 HZ2 TRP 84 -23.773 -5.976 -12.868 629 HZ3 TRP 84 HZ3 TRP 84 -23.174 -4.452 -8.877 630 HH2 TRP 84 HH2 TRP 84 -24.237 -6.077 -10.443 631 H SER 85 H SER 85 -19.884 2.208 -12.553 632 HA SER 85 HA SER 85 -18.936 2.656 -9.744 633 HB2 SER 85 HB2 SER 85 -17.023 3.884 -10.707 634 HB3 SER 85 HB3 SER 85 -17.041 2.177 -11.200 635 HG SER 85 HG SER 85 -16.634 3.470 -12.992 636 H HIS 86 H HIS 86 -19.976 4.228 -12.799 637 HA HIS 86 HA HIS 86 -20.638 6.671 -11.244 638 HB2 HIS 86 HB2 HIS 86 -20.520 6.007 -14.188 639 HB3 HIS 86 HB3 HIS 86 -21.335 7.458 -13.593 640 HD1 HIS 86 HD1 HIS 86 -17.873 5.960 -13.881 641 HD2 HIS 86 HD2 HIS 86 -19.709 9.490 -12.688 642 HE1 HIS 86 HE1 HIS 86 -16.040 7.679 -13.621 643 HA PRO 87 HA PRO 87 -24.897 5.486 -11.120 644 HB2 PRO 87 HB2 PRO 87 -26.213 7.883 -11.246 645 HB3 PRO 87 HB3 PRO 87 -25.305 7.375 -9.785 646 HG2 PRO 87 HG2 PRO 87 -24.399 9.146 -12.050 647 HG3 PRO 87 HG3 PRO 87 -24.345 9.462 -10.284 648 HD2 PRO 87 HD2 PRO 87 -22.182 8.547 -11.596 649 HD3 PRO 87 HD3 PRO 87 -22.583 7.939 -9.951 650 H GLN 88 H GLN 88 -26.842 5.491 -12.537 651 HA GLN 88 HA GLN 88 -26.156 5.080 -15.218 652 HB2 GLN 88 HB2 GLN 88 -28.177 4.168 -14.096 653 HB3 GLN 88 HB3 GLN 88 -28.903 5.780 -14.118 654 HG2 GLN 88 HG2 GLN 88 -29.762 4.362 -15.948 655 HG3 GLN 88 HG3 GLN 88 -28.910 5.782 -16.569 656 HE21 GLN 88 HE21 GLN 88 -27.859 5.286 -18.375 657 HE22 GLN 88 HE22 GLN 88 -26.921 3.827 -18.623 658 H PHE 89 H PHE 89 -25.893 6.253 -16.907 659 HA PHE 89 HA PHE 89 -26.258 9.194 -16.688 660 HB2 PHE 89 HB2 PHE 89 -24.639 8.917 -18.779 661 HB3 PHE 89 HB3 PHE 89 -24.027 8.834 -17.122 662 HD1 PHE 89 HD2 PHE 89 -24.918 6.809 -20.110 663 HD2 PHE 89 HD1 PHE 89 -23.163 6.769 -16.175 664 HE1 PHE 89 HE2 PHE 89 -24.036 4.515 -20.522 665 HE2 PHE 89 HE1 PHE 89 -22.280 4.484 -16.582 666 HZ PHE 89 HZ PHE 89 -22.732 3.345 -18.750 667 H GLU 90 H GLU 90 -26.999 10.332 -18.533 668 HA GLU 90 HA GLU 90 -28.388 8.776 -20.642 669 HB2 GLU 90 HB2 GLU 90 -29.925 9.268 -18.601 670 HB3 GLU 90 HB3 GLU 90 -29.836 10.955 -19.120 671 HG2 GLU 90 HG2 GLU 90 -30.540 9.931 -21.458 672 HG3 GLU 90 HG3 GLU 90 -31.134 8.599 -20.457 673 H LYS 91 H LYS 91 -27.272 11.834 -19.274 674 HA LYS 91 HA LYS 91 -26.803 12.921 -21.988 675 HB2 LYS 91 HB2 LYS 91 -27.841 14.451 -19.557 676 HB3 LYS 91 HB3 LYS 91 -27.398 15.170 -21.107 677 HG2 LYS 91 HG2 LYS 91 -29.679 13.199 -20.679 678 HG3 LYS 91 HG3 LYS 91 -29.856 14.956 -20.814 679 HD2 LYS 91 HD2 LYS 91 -28.942 14.911 -23.084 680 HD3 LYS 91 HD3 LYS 91 -28.663 13.165 -22.956 681 HE2 LYS 91 HE2 LYS 91 -31.408 14.441 -22.727 682 HE3 LYS 91 HE3 LYS 91 -30.725 13.807 -24.242 683 HZ1 LYS 91 HZ1 LYS 91 -32.001 12.086 -23.287 684 HZ2 LYS 91 HZ2 LYS 91 -31.354 12.287 -21.784 685 HZ3 LYS 91 HZ3 LYS 91 -30.428 11.663 -23.003 Start of MODEL 18 1 H1 GLY 1 H GLY 1 17.027 -4.069 -11.936 2 HA2 GLY 1 HA2 GLY 1 16.684 -3.042 -14.021 3 HA3 GLY 1 HA3 GLY 1 15.342 -4.192 -14.227 4 H ALA 2 H ALA 2 14.755 -1.879 -15.367 5 HA ALA 2 HA ALA 2 13.610 0.085 -13.567 6 HB1 ALA 2 HB1 ALA 2 13.147 -0.492 -16.546 7 HB2 ALA 2 HB2 ALA 2 12.556 0.927 -15.674 8 HB3 ALA 2 HB3 ALA 2 14.307 0.690 -15.866 9 H MET 3 H MET 3 11.293 0.367 -13.215 10 HA MET 3 HA MET 3 9.944 -2.175 -12.779 11 HB2 MET 3 HB2 MET 3 8.239 -0.849 -11.743 12 HB3 MET 3 HB3 MET 3 9.815 -0.253 -11.233 13 HG2 MET 3 HG2 MET 3 9.578 1.607 -12.882 14 HG3 MET 3 HG3 MET 3 7.938 1.012 -13.250 15 HE1 MET 3 HE1 MET 3 8.478 4.001 -12.274 16 HE2 MET 3 HE2 MET 3 6.888 3.318 -12.628 17 HE3 MET 3 HE3 MET 3 7.161 4.195 -11.120 18 H ALA 4 H ALA 4 7.696 -2.635 -13.524 19 HA ALA 4 HA ALA 4 7.557 -2.302 -16.393 20 HB1 ALA 4 HB1 ALA 4 6.721 -4.392 -15.268 21 HB2 ALA 4 HB2 ALA 4 5.516 -3.424 -14.377 22 HB3 ALA 4 HB3 ALA 4 5.408 -3.570 -16.131 23 H LYS 5 H LYS 5 5.853 -1.311 -17.542 24 HA LYS 5 HA LYS 5 4.882 1.173 -16.254 25 HB2 LYS 5 HB2 LYS 5 5.894 0.945 -18.608 26 HB3 LYS 5 HB3 LYS 5 4.310 0.250 -19.078 27 HG2 LYS 5 HG2 LYS 5 3.181 2.311 -18.356 28 HG3 LYS 5 HG3 LYS 5 4.730 2.967 -17.766 29 HD2 LYS 5 HD2 LYS 5 4.478 3.992 -19.864 30 HD3 LYS 5 HD3 LYS 5 5.524 2.595 -20.235 31 HE2 LYS 5 HE2 LYS 5 3.570 1.339 -21.020 32 HE3 LYS 5 HE3 LYS 5 2.501 2.675 -20.535 33 HZ1 LYS 5 HZ1 LYS 5 2.904 2.821 -22.880 34 HZ2 LYS 5 HZ2 LYS 5 4.558 2.818 -22.672 35 HZ3 LYS 5 HZ3 LYS 5 3.649 4.082 -22.145 36 H ALA 6 H ALA 6 2.539 1.622 -16.265 37 HA ALA 6 HA ALA 6 0.901 -0.562 -15.463 38 HB1 ALA 6 HB1 ALA 6 0.481 1.813 -14.848 39 HB2 ALA 6 HB2 ALA 6 0.044 2.175 -16.499 40 HB3 ALA 6 HB3 ALA 6 -0.945 1.082 -15.550 41 HA PRO 7 HA PRO 7 -0.132 -2.026 -19.450 42 HB2 PRO 7 HB2 PRO 7 -2.587 -3.122 -19.227 43 HB3 PRO 7 HB3 PRO 7 -1.126 -3.813 -18.441 44 HG2 PRO 7 HG2 PRO 7 -3.209 -2.026 -17.231 45 HG3 PRO 7 HG3 PRO 7 -2.610 -3.611 -16.618 46 HD2 PRO 7 HD2 PRO 7 -1.618 -1.286 -15.705 47 HD3 PRO 7 HD3 PRO 7 -0.556 -2.686 -15.968 48 H GLU 8 H GLU 8 -1.143 -1.455 -21.366 49 HA GLU 8 HA GLU 8 -2.933 0.941 -21.179 50 HB2 GLU 8 HB2 GLU 8 -1.282 -0.285 -23.454 51 HB3 GLU 8 HB3 GLU 8 -2.343 1.114 -23.639 52 HG2 GLU 8 HG2 GLU 8 -0.962 2.434 -22.147 53 HG3 GLU 8 HG3 GLU 8 0.045 1.029 -21.784 54 H SER 9 H SER 9 -4.941 0.911 -22.262 55 HA SER 9 HA SER 9 -6.043 -1.760 -22.929 56 HB2 SER 9 HB2 SER 9 -8.115 -0.464 -23.376 57 HB3 SER 9 HB3 SER 9 -7.445 -0.068 -21.785 58 HG SER 9 HG SER 9 -6.625 1.838 -22.600 59 H ALA 10 H ALA 10 -7.016 -2.138 -25.100 60 HA ALA 10 HA ALA 10 -5.301 -1.404 -27.261 61 HB1 ALA 10 HB1 ALA 10 -8.161 -2.436 -27.280 62 HB2 ALA 10 HB2 ALA 10 -7.130 -2.280 -28.735 63 HB3 ALA 10 HB3 ALA 10 -6.677 -3.413 -27.456 64 H THR 11 H THR 11 -8.207 0.025 -25.905 65 HA THR 11 HA THR 11 -8.888 1.824 -27.967 66 HB THR 11 HB THR 11 -9.112 2.550 -25.024 67 HG1 THR 11 HG1 THR 11 -11.170 1.097 -25.726 68 HG21 THR 11 HG21 THR 11 -11.170 2.716 -27.313 69 HG22 THR 11 HG22 THR 11 -10.052 4.009 -26.888 70 HG23 THR 11 HG23 THR 11 -11.243 3.474 -25.696 71 H GLU 12 H GLU 12 -6.570 2.241 -25.234 72 HA GLU 12 HA GLU 12 -6.040 4.981 -25.587 73 HB2 GLU 12 HB2 GLU 12 -4.543 2.634 -24.401 74 HB3 GLU 12 HB3 GLU 12 -3.702 4.172 -24.623 75 HG2 GLU 12 HG2 GLU 12 -5.107 5.322 -23.181 76 HG3 GLU 12 HG3 GLU 12 -6.363 4.101 -23.265 77 H LYS 13 H LYS 13 -4.665 2.094 -27.096 78 HA LYS 13 HA LYS 13 -2.489 3.518 -28.291 79 HB2 LYS 13 HB2 LYS 13 -3.826 0.986 -29.294 80 HB3 LYS 13 HB3 LYS 13 -2.225 1.555 -29.723 81 HG2 LYS 13 HG2 LYS 13 -1.631 1.346 -27.214 82 HG3 LYS 13 HG3 LYS 13 -3.164 0.556 -26.991 83 HD2 LYS 13 HD2 LYS 13 -1.909 -1.321 -27.324 84 HD3 LYS 13 HD3 LYS 13 -2.276 -0.976 -28.996 85 HE2 LYS 13 HE2 LYS 13 0.069 -1.381 -28.829 86 HE3 LYS 13 HE3 LYS 13 -0.085 0.401 -29.008 87 HZ1 LYS 13 HZ1 LYS 13 0.261 -1.021 -26.415 88 HZ2 LYS 13 HZ2 LYS 13 0.106 0.596 -26.613 89 HZ3 LYS 13 HZ3 LYS 13 1.425 -0.196 -27.195 90 H VAL 14 H VAL 14 -5.777 2.744 -29.427 91 HA VAL 14 HA VAL 14 -5.401 3.680 -32.092 92 HB VAL 14 HB VAL 14 -7.914 3.361 -30.326 93 HG11 VAL 14 HG11 VAL 14 -8.410 4.941 -32.055 94 HG12 VAL 14 HG12 VAL 14 -7.643 3.950 -33.289 95 HG13 VAL 14 HG13 VAL 14 -9.153 3.418 -32.503 96 HG21 VAL 14 HG21 VAL 14 -8.269 1.346 -31.761 97 HG22 VAL 14 HG22 VAL 14 -6.707 1.632 -32.523 98 HG23 VAL 14 HG23 VAL 14 -6.755 1.274 -30.782 99 H LEU 15 H LEU 15 -6.905 5.234 -29.165 100 HA LEU 15 HA LEU 15 -7.387 7.626 -30.707 101 HB2 LEU 15 HB2 LEU 15 -8.176 8.620 -28.706 102 HB3 LEU 15 HB3 LEU 15 -8.758 6.955 -28.859 103 HG LEU 15 HG LEU 15 -6.696 6.474 -27.239 104 HD11 LEU 15 HD11 LEU 15 -6.100 8.883 -27.112 105 HD12 LEU 15 HD12 LEU 15 -6.658 8.232 -25.543 106 HD13 LEU 15 HD13 LEU 15 -7.769 9.225 -26.487 107 HD21 LEU 15 HD21 LEU 15 -9.081 5.858 -26.974 108 HD22 LEU 15 HD22 LEU 15 -9.402 7.467 -26.270 109 HD23 LEU 15 HD23 LEU 15 -8.274 6.339 -25.461 110 H CYS 16 H CYS 16 -4.690 6.522 -28.733 111 HA CYS 16 HA CYS 16 -3.420 9.094 -28.437 112 HB2 CYS 16 HB2 CYS 16 -2.800 7.094 -27.161 113 HB3 CYS 16 HB3 CYS 16 -2.144 6.339 -28.598 114 HG CYS 16 HG CYS 16 -1.229 9.260 -27.386 115 H ALA 17 H ALA 17 -3.242 6.531 -31.004 116 HA ALA 17 HA ALA 17 -1.234 7.794 -32.626 117 HB1 ALA 17 HB1 ALA 17 -3.534 6.118 -33.506 118 HB2 ALA 17 HB2 ALA 17 -2.036 6.465 -34.404 119 HB3 ALA 17 HB3 ALA 17 -1.972 5.510 -32.888 120 H LEU 18 H LEU 18 -4.763 8.182 -32.325 121 HA LEU 18 HA LEU 18 -5.204 9.960 -34.454 122 HB2 LEU 18 HB2 LEU 18 -6.596 8.657 -32.444 123 HB3 LEU 18 HB3 LEU 18 -7.006 10.374 -32.330 124 HG LEU 18 HG LEU 18 -7.712 10.380 -34.663 125 HD11 LEU 18 HD11 LEU 18 -7.135 7.350 -34.544 126 HD12 LEU 18 HD12 LEU 18 -6.369 8.546 -35.639 127 HD13 LEU 18 HD13 LEU 18 -8.070 8.179 -35.848 128 HD21 LEU 18 HD21 LEU 18 -8.979 8.297 -32.861 129 HD22 LEU 18 HD22 LEU 18 -9.742 9.046 -34.274 130 HD23 LEU 18 HD23 LEU 18 -9.308 10.034 -32.861 131 H TYR 19 H TYR 19 -4.137 10.575 -31.172 132 HA TYR 19 HA TYR 19 -4.673 13.421 -31.170 133 HB2 TYR 19 HB2 TYR 19 -2.720 11.601 -29.753 134 HB3 TYR 19 HB3 TYR 19 -2.403 13.267 -29.776 135 HD1 TYR 19 HD1 TYR 19 -5.704 11.463 -29.202 136 HD2 TYR 19 HD2 TYR 19 -2.663 14.157 -27.641 137 HE1 TYR 19 HE1 TYR 19 -7.028 11.816 -27.140 138 HE2 TYR 19 HE2 TYR 19 -4.056 14.448 -25.590 139 HH TYR 19 HH TYR 19 -6.016 13.998 -24.533 140 H ALA 20 H ALA 20 -1.851 11.396 -32.285 141 HA ALA 20 HA ALA 20 -0.159 13.540 -32.818 142 HB1 ALA 20 HB1 ALA 20 0.456 11.070 -32.728 143 HB2 ALA 20 HB2 ALA 20 -0.270 10.867 -34.335 144 HB3 ALA 20 HB3 ALA 20 1.138 11.938 -34.100 145 H GLU 21 H GLU 21 -2.651 11.984 -34.920 146 HA GLU 21 HA GLU 21 -1.752 13.553 -37.219 147 HB2 GLU 21 HB2 GLU 21 -3.409 12.480 -38.511 148 HB3 GLU 21 HB3 GLU 21 -2.824 11.239 -37.348 149 HG2 GLU 21 HG2 GLU 21 -4.782 11.434 -35.981 150 HG3 GLU 21 HG3 GLU 21 -5.351 12.754 -37.009 151 H ILE 22 H ILE 22 -4.177 14.004 -34.741 152 HA ILE 22 HA ILE 22 -5.558 16.062 -36.277 153 HB ILE 22 HB ILE 22 -5.744 15.146 -33.335 154 HG12 ILE 22 HG12 ILE 22 -6.496 13.564 -35.121 155 HG13 ILE 22 HG13 ILE 22 -7.796 14.021 -33.992 156 HG21 ILE 22 HG21 ILE 22 -6.469 17.403 -33.255 157 HG22 ILE 22 HG22 ILE 22 -7.341 17.256 -34.794 158 HG23 ILE 22 HG23 ILE 22 -7.943 16.433 -33.340 159 HD11 ILE 22 HD11 ILE 22 -7.459 15.411 -36.652 160 HD12 ILE 22 HD12 ILE 22 -8.376 13.897 -36.480 161 HD13 ILE 22 HD13 ILE 22 -8.913 15.347 -35.621 162 H LEU 23 H LEU 23 -3.098 15.909 -33.791 163 HA LEU 23 HA LEU 23 -3.050 18.835 -33.434 164 HB2 LEU 23 HB2 LEU 23 -1.316 16.623 -32.292 165 HB3 LEU 23 HB3 LEU 23 -1.166 18.319 -31.908 166 HG LEU 23 HG LEU 23 -3.793 16.886 -31.441 167 HD11 LEU 23 HD11 LEU 23 -1.467 17.058 -29.508 168 HD12 LEU 23 HD12 LEU 23 -2.069 15.584 -30.308 169 HD13 LEU 23 HD13 LEU 23 -3.072 16.455 -29.134 170 HD21 LEU 23 HD21 LEU 23 -2.403 19.307 -30.237 171 HD22 LEU 23 HD22 LEU 23 -3.943 18.647 -29.668 172 HD23 LEU 23 HD23 LEU 23 -3.791 19.290 -31.345 173 H GLY 24 H GLY 24 -1.367 16.320 -35.198 174 HA2 GLY 24 HA2 GLY 24 0.038 16.573 -36.974 175 HA3 GLY 24 HA3 GLY 24 -0.023 18.345 -36.806 176 H VAL 25 H VAL 25 0.874 16.172 -34.163 177 HA VAL 25 HA VAL 25 3.533 17.509 -34.127 178 HB VAL 25 HB VAL 25 3.639 16.708 -31.741 179 HG11 VAL 25 HG11 VAL 25 2.062 18.369 -30.901 180 HG12 VAL 25 HG12 VAL 25 2.731 18.947 -32.416 181 HG13 VAL 25 HG13 VAL 25 1.079 18.286 -32.375 182 HG21 VAL 25 HG21 VAL 25 2.124 14.695 -31.958 183 HG22 VAL 25 HG22 VAL 25 1.610 15.802 -30.656 184 HG23 VAL 25 HG23 VAL 25 0.724 15.783 -32.199 185 H GLU 26 H GLU 26 5.432 16.342 -33.473 186 HA GLU 26 HA GLU 26 5.846 14.104 -35.149 187 HB2 GLU 26 HB2 GLU 26 7.471 15.208 -32.821 188 HB3 GLU 26 HB3 GLU 26 8.070 14.007 -33.981 189 HG2 GLU 26 HG2 GLU 26 7.880 15.637 -35.813 190 HG3 GLU 26 HG3 GLU 26 7.226 16.839 -34.645 191 H ARG 27 H ARG 27 5.196 14.379 -31.724 192 HA ARG 27 HA ARG 27 4.867 11.394 -31.535 193 HB2 ARG 27 HB2 ARG 27 6.674 12.960 -29.700 194 HB3 ARG 27 HB3 ARG 27 6.103 11.346 -29.406 195 HG2 ARG 27 HG2 ARG 27 7.168 10.575 -31.493 196 HG3 ARG 27 HG3 ARG 27 7.964 12.174 -31.727 197 HD2 ARG 27 HD2 ARG 27 8.223 10.349 -29.275 198 HD3 ARG 27 HD3 ARG 27 9.426 10.500 -30.562 199 HE ARG 27 HE ARG 27 8.955 13.089 -29.646 200 HH11 ARG 27 HH11 ARG 27 10.109 10.090 -28.180 201 HH12 ARG 27 HH12 ARG 27 11.101 10.927 -27.010 202 HH21 ARG 27 HH21 ARG 27 10.256 14.123 -28.116 203 HH22 ARG 27 HH22 ARG 27 11.158 13.180 -26.971 204 H VAL 28 H VAL 28 3.531 10.787 -29.700 205 HA VAL 28 HA VAL 28 2.645 12.868 -27.833 206 HB VAL 28 HB VAL 28 0.833 12.979 -29.560 207 HG11 VAL 28 HG11 VAL 28 0.658 10.025 -29.340 208 HG12 VAL 28 HG12 VAL 28 -0.341 11.058 -30.341 209 HG13 VAL 28 HG13 VAL 28 1.331 10.810 -30.759 210 HG21 VAL 28 HG21 VAL 28 0.108 12.925 -27.221 211 HG22 VAL 28 HG22 VAL 28 -1.038 12.361 -28.313 212 HG23 VAL 28 HG23 VAL 28 -0.114 11.206 -27.384 213 H GLY 29 H GLY 29 2.491 11.842 -25.813 214 HA2 GLY 29 HA2 GLY 29 3.127 8.967 -25.727 215 HA3 GLY 29 HA3 GLY 29 3.447 10.115 -24.463 216 H VAL 30 H VAL 30 2.036 7.814 -23.781 217 HA VAL 30 HA VAL 30 -0.805 8.173 -24.048 218 HB VAL 30 HB VAL 30 -0.774 6.655 -21.866 219 HG11 VAL 30 HG11 VAL 30 -0.459 4.700 -23.359 220 HG12 VAL 30 HG12 VAL 30 -1.610 5.883 -23.986 221 HG13 VAL 30 HG13 VAL 30 0.060 5.790 -24.647 222 HG21 VAL 30 HG21 VAL 30 1.719 7.036 -21.474 223 HG22 VAL 30 HG22 VAL 30 1.258 5.357 -21.624 224 HG23 VAL 30 HG23 VAL 30 2.012 6.152 -23.019 225 H ASP 31 H ASP 31 1.606 9.609 -22.047 226 HA ASP 31 HA ASP 31 -0.410 10.592 -20.106 227 HB2 ASP 31 HB2 ASP 31 2.600 10.599 -20.029 228 HB3 ASP 31 HB3 ASP 31 1.547 11.124 -18.793 229 H ASP 32 H ASP 32 0.452 11.559 -23.040 230 HA ASP 32 HA ASP 32 1.591 14.175 -22.314 231 HB2 ASP 32 HB2 ASP 32 1.989 12.555 -24.446 232 HB3 ASP 32 HB3 ASP 32 0.727 13.562 -25.126 233 H ALA 33 H ALA 33 0.603 16.209 -22.549 234 HA ALA 33 HA ALA 33 -2.347 15.992 -22.385 235 HB1 ALA 33 HB1 ALA 33 -2.198 18.389 -21.660 236 HB2 ALA 33 HB2 ALA 33 -1.250 17.263 -20.640 237 HB3 ALA 33 HB3 ALA 33 -0.413 18.254 -21.841 238 H PHE 34 H PHE 34 -3.747 16.650 -23.883 239 HA PHE 34 HA PHE 34 -3.083 17.161 -26.563 240 HB2 PHE 34 HB2 PHE 34 -5.284 16.517 -25.560 241 HB3 PHE 34 HB3 PHE 34 -5.512 18.197 -25.065 242 HD1 PHE 34 HD1 PHE 34 -5.434 15.795 -27.911 243 HD2 PHE 34 HD2 PHE 34 -5.946 19.926 -26.773 244 HE1 PHE 34 HE1 PHE 34 -6.495 16.270 -30.093 245 HE2 PHE 34 HE2 PHE 34 -7.009 20.401 -28.963 246 HZ PHE 34 HZ PHE 34 -7.313 18.548 -30.626 247 H HIS 35 H HIS 35 -3.422 19.484 -23.868 248 HA HIS 35 HA HIS 35 -3.176 21.776 -25.686 249 HB2 HIS 35 HB2 HIS 35 -3.394 23.121 -23.665 250 HB3 HIS 35 HB3 HIS 35 -4.688 21.937 -23.807 251 HD1 HIS 35 HD1 HIS 35 -5.215 20.840 -21.652 252 HD2 HIS 35 HD2 HIS 35 -1.209 21.979 -21.881 253 HE1 HIS 35 HE1 HIS 35 -4.128 20.156 -19.474 254 H ASP 36 H ASP 36 -0.890 19.766 -23.975 255 HA ASP 36 HA ASP 36 1.143 21.892 -23.663 256 HB2 ASP 36 HB2 ASP 36 1.036 19.738 -22.299 257 HB3 ASP 36 HB3 ASP 36 1.448 18.856 -23.773 258 H LEU 37 H LEU 37 0.122 19.388 -25.868 259 HA LEU 37 HA LEU 37 2.216 19.731 -27.797 260 HB2 LEU 37 HB2 LEU 37 -0.489 18.371 -27.924 261 HB3 LEU 37 HB3 LEU 37 0.803 18.181 -29.128 262 HG LEU 37 HG LEU 37 1.139 17.419 -26.208 263 HD11 LEU 37 HD11 LEU 37 0.614 15.115 -26.844 264 HD12 LEU 37 HD12 LEU 37 0.288 15.627 -28.527 265 HD13 LEU 37 HD13 LEU 37 -0.781 16.192 -27.211 266 HD21 LEU 37 HD21 LEU 37 3.238 17.735 -27.479 267 HD22 LEU 37 HD22 LEU 37 2.658 16.626 -28.738 268 HD23 LEU 37 HD23 LEU 37 2.993 16.027 -27.085 269 H GLY 38 H GLY 38 0.202 22.078 -27.031 270 HA2 GLY 38 HA2 GLY 38 -0.301 23.972 -28.232 271 HA3 GLY 38 HA3 GLY 38 0.283 23.188 -29.704 272 H GLY 39 H GLY 39 -2.210 21.619 -27.822 273 HA2 GLY 39 HA2 GLY 39 -3.949 21.491 -30.048 274 HA3 GLY 39 HA3 GLY 39 -4.356 21.107 -28.374 275 H SER 40 H SER 40 -6.101 22.169 -30.301 276 HA SER 40 HA SER 40 -6.801 24.763 -28.985 277 HB2 SER 40 HB2 SER 40 -7.015 24.107 -31.952 278 HB3 SER 40 HB3 SER 40 -7.548 25.603 -31.152 279 HG SER 40 HG SER 40 -4.915 24.801 -30.760 280 H SER 41 H SER 41 -9.140 25.292 -29.152 281 HA SER 41 HA SER 41 -10.804 23.076 -28.507 282 HB2 SER 41 HB2 SER 41 -12.646 24.833 -28.917 283 HB3 SER 41 HB3 SER 41 -11.408 25.251 -27.699 284 HG SER 41 HG SER 41 -11.875 26.910 -29.257 285 H ALA 42 H ALA 42 -10.212 24.724 -31.602 286 HA ALA 42 HA ALA 42 -12.379 23.491 -33.008 287 HB1 ALA 42 HB1 ALA 42 -11.132 25.460 -33.848 288 HB2 ALA 42 HB2 ALA 42 -9.665 24.495 -34.013 289 HB3 ALA 42 HB3 ALA 42 -11.107 24.160 -35.032 290 H LEU 43 H LEU 43 -9.007 22.514 -32.359 291 HA LEU 43 HA LEU 43 -9.144 20.183 -34.024 292 HB2 LEU 43 HB2 LEU 43 -7.258 20.898 -31.800 293 HB3 LEU 43 HB3 LEU 43 -7.033 19.544 -32.853 294 HG LEU 43 HG LEU 43 -7.024 22.484 -33.669 295 HD11 LEU 43 HD11 LEU 43 -4.769 20.439 -33.501 296 HD12 LEU 43 HD12 LEU 43 -5.046 21.804 -32.405 297 HD13 LEU 43 HD13 LEU 43 -4.607 22.088 -34.121 298 HD21 LEU 43 HD21 LEU 43 -7.939 21.162 -35.534 299 HD22 LEU 43 HD22 LEU 43 -6.648 19.934 -35.340 300 HD23 LEU 43 HD23 LEU 43 -6.243 21.579 -35.916 301 H ALA 44 H ALA 44 -10.001 20.920 -30.670 302 HA ALA 44 HA ALA 44 -10.111 18.189 -29.781 303 HB1 ALA 44 HB1 ALA 44 -11.568 19.005 -27.971 304 HB2 ALA 44 HB2 ALA 44 -10.200 20.143 -28.218 305 HB3 ALA 44 HB3 ALA 44 -11.812 20.539 -28.841 306 H MET 45 H MET 45 -12.494 20.322 -31.372 307 HA MET 45 HA MET 45 -14.609 18.388 -31.360 308 HB2 MET 45 HB2 MET 45 -14.092 20.702 -33.223 309 HB3 MET 45 HB3 MET 45 -15.540 19.705 -33.277 310 HG2 MET 45 HG2 MET 45 -14.668 21.280 -30.845 311 HG3 MET 45 HG3 MET 45 -15.884 21.795 -32.041 312 HE1 MET 45 HE1 MET 45 -16.880 21.903 -29.289 313 HE2 MET 45 HE2 MET 45 -18.035 21.932 -30.670 314 HE3 MET 45 HE3 MET 45 -18.342 20.892 -29.260 315 H ARG 46 H ARG 46 -11.885 18.992 -33.578 316 HA ARG 46 HA ARG 46 -12.823 17.279 -35.611 317 HB2 ARG 46 HB2 ARG 46 -10.485 18.889 -35.008 318 HB3 ARG 46 HB3 ARG 46 -9.969 17.316 -35.567 319 HG2 ARG 46 HG2 ARG 46 -11.955 19.006 -36.979 320 HG3 ARG 46 HG3 ARG 46 -10.255 18.855 -37.422 321 HD2 ARG 46 HD2 ARG 46 -10.609 16.843 -38.442 322 HD3 ARG 46 HD3 ARG 46 -11.308 16.172 -37.042 323 HE ARG 46 HE ARG 46 -13.112 17.923 -38.368 324 HH11 ARG 46 HH11 ARG 46 -11.642 14.708 -38.614 325 HH12 ARG 46 HH12 ARG 46 -13.088 13.962 -39.312 326 HH21 ARG 46 HH21 ARG 46 -14.994 16.851 -39.217 327 HH22 ARG 46 HH22 ARG 46 -14.894 15.145 -39.629 328 H LEU 47 H LEU 47 -10.632 16.812 -32.823 329 HA LEU 47 HA LEU 47 -9.953 14.019 -33.256 330 HB2 LEU 47 HB2 LEU 47 -9.002 15.580 -31.484 331 HB3 LEU 47 HB3 LEU 47 -10.538 15.515 -30.645 332 HG LEU 47 HG LEU 47 -10.132 12.996 -30.425 333 HD11 LEU 47 HD11 LEU 47 -8.495 12.689 -32.204 334 HD12 LEU 47 HD12 LEU 47 -7.786 12.209 -30.667 335 HD13 LEU 47 HD13 LEU 47 -7.350 13.746 -31.408 336 HD21 LEU 47 HD21 LEU 47 -8.086 14.792 -29.087 337 HD22 LEU 47 HD22 LEU 47 -8.602 13.221 -28.547 338 HD23 LEU 47 HD23 LEU 47 -9.744 14.554 -28.567 339 H ILE 48 H ILE 48 -12.749 15.489 -31.420 340 HA ILE 48 HA ILE 48 -13.870 13.013 -30.595 341 HB ILE 48 HB ILE 48 -15.147 15.729 -31.128 342 HG12 ILE 48 HG12 ILE 48 -14.609 14.379 -28.485 343 HG13 ILE 48 HG13 ILE 48 -13.359 15.330 -29.306 344 HG21 ILE 48 HG21 ILE 48 -16.403 13.273 -29.782 345 HG22 ILE 48 HG22 ILE 48 -17.094 14.892 -29.767 346 HG23 ILE 48 HG23 ILE 48 -16.937 14.003 -31.301 347 HD11 ILE 48 HD11 ILE 48 -16.059 16.328 -28.425 348 HD12 ILE 48 HD12 ILE 48 -14.538 16.677 -27.624 349 HD13 ILE 48 HD13 ILE 48 -14.833 17.271 -29.254 350 H ALA 49 H ALA 49 -14.340 14.920 -33.582 351 HA ALA 49 HA ALA 49 -16.367 13.209 -34.658 352 HB1 ALA 49 HB1 ALA 49 -14.375 15.046 -36.027 353 HB2 ALA 49 HB2 ALA 49 -15.794 14.284 -36.808 354 HB3 ALA 49 HB3 ALA 49 -16.011 15.481 -35.490 355 H ARG 50 H ARG 50 -12.791 13.122 -34.848 356 HA ARG 50 HA ARG 50 -12.636 11.065 -36.852 357 HB2 ARG 50 HB2 ARG 50 -10.805 12.612 -35.826 358 HB3 ARG 50 HB3 ARG 50 -10.619 11.299 -34.693 359 HG2 ARG 50 HG2 ARG 50 -8.969 11.020 -36.415 360 HG3 ARG 50 HG3 ARG 50 -10.275 9.884 -36.850 361 HD2 ARG 50 HD2 ARG 50 -11.129 11.312 -38.551 362 HD3 ARG 50 HD3 ARG 50 -10.060 12.628 -38.030 363 HE ARG 50 HE ARG 50 -8.104 11.293 -38.616 364 HH11 ARG 50 HH11 ARG 50 -11.167 10.152 -40.026 365 HH12 ARG 50 HH12 ARG 50 -10.315 9.316 -41.291 366 HH21 ARG 50 HH21 ARG 50 -7.150 10.196 -40.226 367 HH22 ARG 50 HH22 ARG 50 -8.065 9.332 -41.415 368 H ILE 51 H ILE 51 -12.853 11.070 -33.258 369 HA ILE 51 HA ILE 51 -12.315 8.291 -32.660 370 HB ILE 51 HB ILE 51 -13.844 10.392 -31.173 371 HG12 ILE 51 HG12 ILE 51 -11.214 8.944 -30.574 372 HG13 ILE 51 HG13 ILE 51 -11.253 10.466 -31.450 373 HG21 ILE 51 HG21 ILE 51 -14.954 8.393 -30.656 374 HG22 ILE 51 HG22 ILE 51 -13.420 7.508 -30.562 375 HG23 ILE 51 HG23 ILE 51 -13.820 8.748 -29.336 376 HD11 ILE 51 HD11 ILE 51 -12.388 11.539 -29.486 377 HD12 ILE 51 HD12 ILE 51 -12.266 9.990 -28.596 378 HD13 ILE 51 HD13 ILE 51 -10.794 10.865 -29.056 379 H ARG 52 H ARG 52 -15.197 9.876 -33.994 380 HA ARG 52 HA ARG 52 -16.938 7.652 -33.454 381 HB2 ARG 52 HB2 ARG 52 -17.134 9.665 -35.682 382 HB3 ARG 52 HB3 ARG 52 -18.401 8.579 -35.134 383 HG2 ARG 52 HG2 ARG 52 -18.705 9.768 -33.092 384 HG3 ARG 52 HG3 ARG 52 -17.163 10.635 -33.287 385 HD2 ARG 52 HD2 ARG 52 -18.049 11.660 -35.344 386 HD3 ARG 52 HD3 ARG 52 -19.634 10.948 -34.949 387 HE ARG 52 HE ARG 52 -18.941 12.215 -32.612 388 HH11 ARG 52 HH11 ARG 52 -19.290 13.361 -35.950 389 HH12 ARG 52 HH12 ARG 52 -19.765 14.967 -35.435 390 HH21 ARG 52 HH21 ARG 52 -19.533 14.214 -32.037 391 HH22 ARG 52 HH22 ARG 52 -19.873 15.444 -33.237 392 H GLU 53 H GLU 53 -14.663 8.330 -36.053 393 HA GLU 53 HA GLU 53 -15.730 6.273 -37.854 394 HB2 GLU 53 HB2 GLU 53 -13.100 7.817 -37.865 395 HB3 GLU 53 HB3 GLU 53 -13.697 6.804 -39.180 396 HG2 GLU 53 HG2 GLU 53 -15.641 8.341 -39.446 397 HG3 GLU 53 HG3 GLU 53 -15.081 9.303 -38.082 398 H GLU 54 H GLU 54 -13.190 6.661 -35.418 399 HA GLU 54 HA GLU 54 -11.959 4.099 -36.018 400 HB2 GLU 54 HB2 GLU 54 -11.588 6.085 -33.767 401 HB3 GLU 54 HB3 GLU 54 -10.676 4.575 -33.844 402 HG2 GLU 54 HG2 GLU 54 -10.664 6.799 -35.940 403 HG3 GLU 54 HG3 GLU 54 -9.422 6.492 -34.721 404 H LEU 55 H LEU 55 -13.946 5.306 -33.241 405 HA LEU 55 HA LEU 55 -13.895 2.516 -32.139 406 HB2 LEU 55 HB2 LEU 55 -14.485 5.159 -30.742 407 HB3 LEU 55 HB3 LEU 55 -14.393 3.567 -29.978 408 HG LEU 55 HG LEU 55 -12.067 5.056 -31.263 409 HD11 LEU 55 HD11 LEU 55 -11.237 5.264 -28.943 410 HD12 LEU 55 HD12 LEU 55 -12.702 4.424 -28.342 411 HD13 LEU 55 HD13 LEU 55 -12.849 6.026 -29.142 412 HD21 LEU 55 HD21 LEU 55 -12.166 2.344 -29.813 413 HD22 LEU 55 HD22 LEU 55 -10.667 3.242 -30.228 414 HD23 LEU 55 HD23 LEU 55 -11.714 2.632 -31.506 415 H GLY 56 H GLY 56 -15.857 4.547 -33.783 416 HA2 GLY 56 HA2 GLY 56 -18.087 4.388 -34.346 417 HA3 GLY 56 HA3 GLY 56 -18.135 2.878 -33.461 418 H VAL 57 H VAL 57 -17.172 5.826 -31.825 419 HA VAL 57 HA VAL 57 -19.906 6.085 -30.662 420 HB VAL 57 HB VAL 57 -18.913 6.255 -28.323 421 HG11 VAL 57 HG11 VAL 57 -18.412 3.521 -29.572 422 HG12 VAL 57 HG12 VAL 57 -18.785 3.878 -27.911 423 HG13 VAL 57 HG13 VAL 57 -20.007 4.134 -29.163 424 HG21 VAL 57 HG21 VAL 57 -16.683 5.360 -27.865 425 HG22 VAL 57 HG22 VAL 57 -16.439 4.930 -29.558 426 HG23 VAL 57 HG23 VAL 57 -16.536 6.656 -29.081 427 H ASP 58 H ASP 58 -20.216 8.087 -29.556 428 HA ASP 58 HA ASP 58 -18.468 10.224 -30.682 429 HB2 ASP 58 HB2 ASP 58 -20.952 10.355 -30.856 430 HB3 ASP 58 HB3 ASP 58 -21.022 10.481 -29.087 431 H LEU 59 H LEU 59 -16.748 10.751 -29.481 432 HA LEU 59 HA LEU 59 -16.492 10.021 -26.715 433 HB2 LEU 59 HB2 LEU 59 -14.558 10.452 -28.250 434 HB3 LEU 59 HB3 LEU 59 -15.003 12.164 -28.235 435 HG LEU 59 HG LEU 59 -14.871 11.777 -25.575 436 HD11 LEU 59 HD11 LEU 59 -12.815 9.843 -26.593 437 HD12 LEU 59 HD12 LEU 59 -14.370 9.362 -25.885 438 HD13 LEU 59 HD13 LEU 59 -13.185 10.303 -24.900 439 HD21 LEU 59 HD21 LEU 59 -13.651 13.515 -26.621 440 HD22 LEU 59 HD22 LEU 59 -12.537 12.367 -27.397 441 HD23 LEU 59 HD23 LEU 59 -12.540 12.600 -25.615 442 HA PRO 60 HA PRO 60 -18.895 13.543 -25.213 443 HB2 PRO 60 HB2 PRO 60 -17.841 12.713 -22.532 444 HB3 PRO 60 HB3 PRO 60 -19.538 12.929 -23.069 445 HG2 PRO 60 HG2 PRO 60 -18.508 10.472 -22.629 446 HG3 PRO 60 HG3 PRO 60 -19.643 10.791 -24.010 447 HD2 PRO 60 HD2 PRO 60 -16.618 10.619 -24.066 448 HD3 PRO 60 HD3 PRO 60 -17.850 9.876 -25.138 449 H ILE 61 H ILE 61 -18.024 15.547 -25.422 450 HA ILE 61 HA ILE 61 -15.243 16.100 -25.160 451 HB ILE 61 HB ILE 61 -17.020 17.435 -26.433 452 HG12 ILE 61 HG12 ILE 61 -15.292 19.167 -24.672 453 HG13 ILE 61 HG13 ILE 61 -14.567 18.120 -25.952 454 HG21 ILE 61 HG21 ILE 61 -18.248 19.244 -25.351 455 HG22 ILE 61 HG22 ILE 61 -18.694 17.717 -24.549 456 HG23 ILE 61 HG23 ILE 61 -17.533 18.833 -23.769 457 HD11 ILE 61 HD11 ILE 61 -16.633 20.404 -26.375 458 HD12 ILE 61 HD12 ILE 61 -14.932 20.428 -26.846 459 HD13 ILE 61 HD13 ILE 61 -16.014 19.328 -27.675 460 H ARG 62 H ARG 62 -17.725 15.952 -22.677 461 HA ARG 62 HA ARG 62 -16.421 17.555 -20.701 462 HB2 ARG 62 HB2 ARG 62 -18.742 15.966 -20.861 463 HB3 ARG 62 HB3 ARG 62 -17.779 15.207 -19.583 464 HG2 ARG 62 HG2 ARG 62 -18.579 18.156 -19.670 465 HG3 ARG 62 HG3 ARG 62 -19.362 16.945 -18.707 466 HD2 ARG 62 HD2 ARG 62 -16.429 17.697 -18.414 467 HD3 ARG 62 HD3 ARG 62 -17.734 18.434 -17.462 468 HE ARG 62 HE ARG 62 -18.010 15.637 -17.198 469 HH11 ARG 62 HH11 ARG 62 -15.692 18.155 -16.232 470 HH12 ARG 62 HH12 ARG 62 -15.215 17.291 -14.785 471 HH21 ARG 62 HH21 ARG 62 -17.295 14.574 -15.349 472 HH22 ARG 62 HH22 ARG 62 -16.095 15.300 -14.339 473 H GLN 63 H GLN 63 -15.999 14.153 -21.709 474 HA GLN 63 HA GLN 63 -14.339 13.468 -19.441 475 HB2 GLN 63 HB2 GLN 63 -14.549 12.152 -22.143 476 HB3 GLN 63 HB3 GLN 63 -13.681 11.517 -20.777 477 HG2 GLN 63 HG2 GLN 63 -16.634 11.783 -21.133 478 HG3 GLN 63 HG3 GLN 63 -15.700 10.333 -20.923 479 HE21 GLN 63 HE21 GLN 63 -17.883 12.091 -19.551 480 HE22 GLN 63 HE22 GLN 63 -17.458 11.951 -17.854 481 H LEU 64 H LEU 64 -13.849 14.635 -22.749 482 HA LEU 64 HA LEU 64 -11.030 14.402 -22.758 483 HB2 LEU 64 HB2 LEU 64 -12.543 14.762 -24.694 484 HB3 LEU 64 HB3 LEU 64 -12.765 16.415 -24.185 485 HG LEU 64 HG LEU 64 -10.310 16.824 -24.480 486 HD11 LEU 64 HD11 LEU 64 -10.415 14.067 -25.766 487 HD12 LEU 64 HD12 LEU 64 -9.560 14.520 -24.273 488 HD13 LEU 64 HD13 LEU 64 -9.046 15.175 -25.826 489 HD21 LEU 64 HD21 LEU 64 -11.756 15.772 -26.983 490 HD22 LEU 64 HD22 LEU 64 -10.410 16.920 -26.918 491 HD23 LEU 64 HD23 LEU 64 -11.940 17.360 -26.217 492 H PHE 65 H PHE 65 -13.185 17.130 -21.791 493 HA PHE 65 HA PHE 65 -10.961 18.881 -21.155 494 HB2 PHE 65 HB2 PHE 65 -13.838 18.855 -20.192 495 HB3 PHE 65 HB3 PHE 65 -12.655 20.130 -19.829 496 HD1 PHE 65 HD2 PHE 65 -11.431 19.747 -22.899 497 HD2 PHE 65 HD1 PHE 65 -15.265 20.663 -21.153 498 HE1 PHE 65 HE2 PHE 65 -12.061 21.022 -24.935 499 HE2 PHE 65 HE1 PHE 65 -15.888 21.942 -23.215 500 HZ PHE 65 HZ PHE 65 -14.270 22.120 -25.094 501 H SER 66 H SER 66 -12.688 16.358 -19.383 502 HA SER 66 HA SER 66 -11.719 17.192 -16.794 503 HB2 SER 66 HB2 SER 66 -13.782 15.804 -17.223 504 HB3 SER 66 HB3 SER 66 -12.742 14.454 -17.641 505 HG SER 66 HG SER 66 -11.825 14.668 -15.551 506 H SER 67 H SER 67 -10.457 15.213 -19.387 507 HA SER 67 HA SER 67 -7.924 14.892 -17.912 508 HB2 SER 67 HB2 SER 67 -9.562 12.565 -18.988 509 HB3 SER 67 HB3 SER 67 -7.869 12.468 -18.478 510 HG SER 67 HG SER 67 -9.111 13.652 -16.528 511 HA PRO 68 HA PRO 68 -7.681 15.882 -22.394 512 HB2 PRO 68 HB2 PRO 68 -5.533 17.586 -22.306 513 HB3 PRO 68 HB3 PRO 68 -7.124 18.084 -21.725 514 HG2 PRO 68 HG2 PRO 68 -4.828 16.977 -20.112 515 HG3 PRO 68 HG3 PRO 68 -5.704 18.513 -19.875 516 HD2 PRO 68 HD2 PRO 68 -6.370 16.328 -18.486 517 HD3 PRO 68 HD3 PRO 68 -7.652 17.429 -19.104 518 H THR 69 H THR 69 -5.742 13.929 -20.443 519 HA THR 69 HA THR 69 -3.609 13.591 -22.494 520 HB THR 69 HB THR 69 -2.731 11.856 -20.862 521 HG1 THR 69 HG1 THR 69 -3.769 12.167 -18.686 522 HG21 THR 69 HG21 THR 69 -1.933 14.194 -20.744 523 HG22 THR 69 HG22 THR 69 -1.919 13.413 -19.175 524 HG23 THR 69 HG23 THR 69 -3.219 14.564 -19.622 525 HA PRO 70 HA PRO 70 -5.861 10.490 -24.393 526 HB2 PRO 70 HB2 PRO 70 -4.040 8.705 -25.294 527 HB3 PRO 70 HB3 PRO 70 -4.238 10.338 -25.964 528 HG2 PRO 70 HG2 PRO 70 -2.305 9.365 -24.006 529 HG3 PRO 70 HG3 PRO 70 -2.051 10.282 -25.514 530 HD2 PRO 70 HD2 PRO 70 -2.145 11.552 -23.163 531 HD3 PRO 70 HD3 PRO 70 -2.910 12.281 -24.621 532 H ALA 71 H ALA 71 -3.476 9.190 -22.020 533 HA ALA 71 HA ALA 71 -4.954 6.738 -21.640 534 HB1 ALA 71 HB1 ALA 71 -2.848 8.104 -19.936 535 HB2 ALA 71 HB2 ALA 71 -3.536 6.506 -19.601 536 HB3 ALA 71 HB3 ALA 71 -2.624 6.763 -21.074 537 H GLY 72 H GLY 72 -5.149 9.976 -20.363 538 HA2 GLY 72 HA2 GLY 72 -6.661 9.263 -18.003 539 HA3 GLY 72 HA3 GLY 72 -6.442 10.861 -18.678 540 H VAL 73 H VAL 73 -7.546 10.691 -21.243 541 HA VAL 73 HA VAL 73 -10.277 10.816 -20.528 542 HB VAL 73 HB VAL 73 -9.086 12.061 -22.467 543 HG11 VAL 73 HG11 VAL 73 -8.946 11.050 -24.606 544 HG12 VAL 73 HG12 VAL 73 -7.990 10.127 -23.439 545 HG13 VAL 73 HG13 VAL 73 -9.555 9.505 -23.988 546 HG21 VAL 73 HG21 VAL 73 -11.503 12.054 -22.087 547 HG22 VAL 73 HG22 VAL 73 -11.070 12.208 -23.818 548 HG23 VAL 73 HG23 VAL 73 -11.652 10.640 -23.192 549 H ALA 74 H ALA 74 -8.355 8.224 -22.088 550 HA ALA 74 HA ALA 74 -10.414 6.530 -22.714 551 HB1 ALA 74 HB1 ALA 74 -7.716 5.697 -21.597 552 HB2 ALA 74 HB2 ALA 74 -8.727 4.765 -22.712 553 HB3 ALA 74 HB3 ALA 74 -7.966 6.274 -23.274 554 H ARG 75 H ARG 75 -8.622 6.648 -19.558 555 HA ARG 75 HA ARG 75 -10.209 4.498 -18.526 556 HB2 ARG 75 HB2 ARG 75 -9.109 4.835 -16.389 557 HB3 ARG 75 HB3 ARG 75 -7.959 5.006 -17.733 558 HG2 ARG 75 HG2 ARG 75 -8.115 7.421 -17.594 559 HG3 ARG 75 HG3 ARG 75 -9.165 7.321 -16.231 560 HD2 ARG 75 HD2 ARG 75 -6.966 7.661 -15.406 561 HD3 ARG 75 HD3 ARG 75 -7.397 6.017 -14.990 562 HE ARG 75 HE ARG 75 -6.001 6.077 -17.570 563 HH11 ARG 75 HH11 ARG 75 -5.426 6.258 -14.136 564 HH12 ARG 75 HH12 ARG 75 -3.768 5.703 -14.237 565 HH21 ARG 75 HH21 ARG 75 -3.905 5.333 -17.720 566 HH22 ARG 75 HH22 ARG 75 -2.920 5.182 -16.306 567 H ALA 76 H ALA 76 -10.530 8.010 -18.568 568 HA ALA 76 HA ALA 76 -12.444 8.236 -16.503 569 HB1 ALA 76 HB1 ALA 76 -11.187 10.156 -17.417 570 HB2 ALA 76 HB2 ALA 76 -12.039 9.984 -18.962 571 HB3 ALA 76 HB3 ALA 76 -12.933 10.416 -17.490 572 H LEU 77 H LEU 77 -12.847 7.803 -20.052 573 HA LEU 77 HA LEU 77 -15.730 7.765 -19.798 574 HB2 LEU 77 HB2 LEU 77 -15.777 7.342 -22.142 575 HB3 LEU 77 HB3 LEU 77 -14.515 8.499 -21.814 576 HG LEU 77 HG LEU 77 -12.927 6.410 -21.928 577 HD11 LEU 77 HD11 LEU 77 -15.262 5.553 -23.643 578 HD12 LEU 77 HD12 LEU 77 -14.622 4.682 -22.228 579 HD13 LEU 77 HD13 LEU 77 -13.599 4.841 -23.666 580 HD21 LEU 77 HD21 LEU 77 -12.837 8.339 -23.388 581 HD22 LEU 77 HD22 LEU 77 -14.123 7.654 -24.371 582 HD23 LEU 77 HD23 LEU 77 -12.544 6.845 -24.266 583 H ALA 78 H ALA 78 -13.168 5.352 -19.750 584 HA ALA 78 HA ALA 78 -14.891 3.088 -20.114 585 HB1 ALA 78 HB1 ALA 78 -12.462 2.959 -20.372 586 HB2 ALA 78 HB2 ALA 78 -12.256 3.273 -18.635 587 HB3 ALA 78 HB3 ALA 78 -13.046 1.786 -19.159 588 H ALA 79 H ALA 79 -14.189 5.100 -17.320 589 HA ALA 79 HA ALA 79 -14.977 3.282 -15.281 590 HB1 ALA 79 HB1 ALA 79 -13.763 5.459 -14.981 591 HB2 ALA 79 HB2 ALA 79 -15.252 6.325 -15.288 592 HB3 ALA 79 HB3 ALA 79 -15.177 5.234 -13.862 593 H LYS 80 H LYS 80 -16.901 5.091 -17.572 594 HA LYS 80 HA LYS 80 -19.304 5.093 -16.010 595 HB2 LYS 80 HB2 LYS 80 -20.272 6.163 -17.711 596 HB3 LYS 80 HB3 LYS 80 -18.570 6.481 -18.139 597 HG2 LYS 80 HG2 LYS 80 -18.769 4.490 -19.719 598 HG3 LYS 80 HG3 LYS 80 -20.489 4.446 -19.377 599 HD2 LYS 80 HD2 LYS 80 -20.531 6.902 -20.090 600 HD3 LYS 80 HD3 LYS 80 -18.878 6.654 -20.722 601 HE2 LYS 80 HE2 LYS 80 -20.318 6.297 -22.588 602 HE3 LYS 80 HE3 LYS 80 -19.883 4.710 -22.083 603 HZ1 LYS 80 HZ1 LYS 80 -22.430 6.076 -21.476 604 HZ2 LYS 80 HZ2 LYS 80 -21.977 4.618 -20.847 605 HZ3 LYS 80 HZ3 LYS 80 -22.222 4.802 -22.476 606 H SER 81 H SER 81 -17.718 2.514 -17.495 607 HA SER 81 HA SER 81 -20.105 1.009 -18.246 608 HB2 SER 81 HB2 SER 81 -17.234 0.057 -17.851 609 HB3 SER 81 HB3 SER 81 -18.510 -0.782 -18.778 610 HG SER 81 HG SER 81 -16.844 0.797 -19.845 611 H ALA 82 H ALA 82 -18.610 1.767 -15.308 612 HA ALA 82 HA ALA 82 -18.829 -0.744 -13.958 613 HB1 ALA 82 HB1 ALA 82 -17.432 1.127 -13.169 614 HB2 ALA 82 HB2 ALA 82 -18.855 2.122 -12.914 615 HB3 ALA 82 HB3 ALA 82 -18.660 0.623 -11.921 616 H SER 83 H SER 83 -20.457 -1.522 -12.568 617 HA SER 83 HA SER 83 -23.160 -0.899 -13.335 618 HB2 SER 83 HB2 SER 83 -23.769 -2.525 -11.546 619 HB3 SER 83 HB3 SER 83 -22.560 -3.160 -12.688 620 HG SER 83 HG SER 83 -22.176 -3.477 -10.341 621 H TRP 84 H TRP 84 -21.045 0.543 -11.102 622 HA TRP 84 HA TRP 84 -23.333 1.735 -9.628 623 HB2 TRP 84 HB2 TRP 84 -21.694 2.299 -7.879 624 HB3 TRP 84 HB3 TRP 84 -21.744 0.548 -8.166 625 HD1 TRP 84 HD1 TRP 84 -19.440 3.594 -8.495 626 HE1 TRP 84 HE1 TRP 84 -17.056 2.865 -8.996 627 HE3 TRP 84 HE3 TRP 84 -20.320 -1.372 -9.362 628 HZ2 TRP 84 HZ2 TRP 84 -15.691 0.481 -9.718 629 HZ3 TRP 84 HZ3 TRP 84 -18.382 -2.838 -9.970 630 HH2 TRP 84 HH2 TRP 84 -16.118 -1.900 -10.158 631 H SER 85 H SER 85 -21.977 2.411 -12.314 632 HA SER 85 HA SER 85 -20.717 4.970 -11.967 633 HB2 SER 85 HB2 SER 85 -20.456 3.586 -14.002 634 HB3 SER 85 HB3 SER 85 -22.179 3.785 -14.353 635 HG SER 85 HG SER 85 -21.879 5.862 -14.836 636 H HIS 86 H HIS 86 -21.614 7.033 -12.273 637 HA HIS 86 HA HIS 86 -24.314 7.423 -11.465 638 HB2 HIS 86 HB2 HIS 86 -23.941 9.767 -11.933 639 HB3 HIS 86 HB3 HIS 86 -22.489 9.124 -11.184 640 HD1 HIS 86 HD1 HIS 86 -23.782 10.288 -14.590 641 HD2 HIS 86 HD2 HIS 86 -20.209 9.218 -12.714 642 HE1 HIS 86 HE1 HIS 86 -21.913 10.925 -16.158 643 HA PRO 87 HA PRO 87 -26.196 6.760 -15.398 644 HB2 PRO 87 HB2 PRO 87 -28.289 8.524 -15.487 645 HB3 PRO 87 HB3 PRO 87 -28.265 7.100 -14.387 646 HG2 PRO 87 HG2 PRO 87 -27.521 9.963 -13.766 647 HG3 PRO 87 HG3 PRO 87 -28.622 8.875 -12.875 648 HD2 PRO 87 HD2 PRO 87 -26.084 9.240 -12.108 649 HD3 PRO 87 HD3 PRO 87 -26.910 7.630 -12.028 650 H GLN 88 H GLN 88 -26.114 7.493 -17.540 651 HA GLN 88 HA GLN 88 -24.465 9.861 -17.990 652 HB2 GLN 88 HB2 GLN 88 -24.277 7.805 -19.398 653 HB3 GLN 88 HB3 GLN 88 -25.940 8.073 -19.973 654 HG2 GLN 88 HG2 GLN 88 -25.349 10.012 -21.153 655 HG3 GLN 88 HG3 GLN 88 -23.800 10.154 -20.297 656 HE21 GLN 88 HE21 GLN 88 -25.060 9.479 -23.231 657 HE22 GLN 88 HE22 GLN 88 -23.801 8.399 -23.801 658 H PHE 89 H PHE 89 -25.301 11.853 -18.010 659 HA PHE 89 HA PHE 89 -28.168 12.283 -18.054 660 HB2 PHE 89 HB2 PHE 89 -25.907 14.316 -18.206 661 HB3 PHE 89 HB3 PHE 89 -27.568 14.587 -17.622 662 HD1 PHE 89 HD1 PHE 89 -28.270 13.416 -15.459 663 HD2 PHE 89 HD2 PHE 89 -24.187 13.600 -16.769 664 HE1 PHE 89 HE1 PHE 89 -27.503 12.845 -13.118 665 HE2 PHE 89 HE2 PHE 89 -23.401 13.073 -14.464 666 HZ PHE 89 HZ PHE 89 -25.029 12.642 -12.668 667 H GLU 90 H GLU 90 -29.338 12.599 -19.894 668 HA GLU 90 HA GLU 90 -27.807 13.080 -22.377 669 HB2 GLU 90 HB2 GLU 90 -28.943 10.748 -21.668 670 HB3 GLU 90 HB3 GLU 90 -30.334 11.508 -22.427 671 HG2 GLU 90 HG2 GLU 90 -29.250 10.266 -24.116 672 HG3 GLU 90 HG3 GLU 90 -28.861 11.935 -24.471 673 H LYS 91 H LYS 91 -29.060 13.852 -24.230 674 HA LYS 91 HA LYS 91 -31.555 15.359 -23.657 675 HB2 LYS 91 HB2 LYS 91 -28.900 16.511 -24.443 676 HB3 LYS 91 HB3 LYS 91 -30.306 17.044 -25.350 677 HG2 LYS 91 HG2 LYS 91 -30.252 18.645 -23.737 678 HG3 LYS 91 HG3 LYS 91 -31.364 17.517 -22.999 679 HD2 LYS 91 HD2 LYS 91 -29.425 16.576 -21.742 680 HD3 LYS 91 HD3 LYS 91 -28.400 17.836 -22.428 681 HE2 LYS 91 HE2 LYS 91 -30.901 18.398 -20.812 682 HE3 LYS 91 HE3 LYS 91 -29.274 18.410 -20.142 683 HZ1 LYS 91 HZ1 LYS 91 -29.974 20.636 -20.804 684 HZ2 LYS 91 HZ2 LYS 91 -30.260 20.120 -22.353 685 HZ3 LYS 91 HZ3 LYS 91 -28.709 20.159 -21.739 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.734 3.320 -0.919 2 HA2 GLY 1 HA2 GLY 1 2.312 4.619 -2.072 3 HA3 GLY 1 HA3 GLY 1 2.743 3.138 -2.907 4 H ALA 2 H ALA 2 2.975 5.252 -4.530 5 HA ALA 2 HA ALA 2 0.500 5.954 -5.874 6 HB1 ALA 2 HB1 ALA 2 3.368 6.073 -6.911 7 HB2 ALA 2 HB2 ALA 2 1.963 6.970 -7.528 8 HB3 ALA 2 HB3 ALA 2 2.618 7.344 -5.906 9 H MET 3 H MET 3 -0.164 5.133 -7.940 10 HA MET 3 HA MET 3 0.194 2.220 -8.105 11 HB2 MET 3 HB2 MET 3 -1.347 2.296 -9.989 12 HB3 MET 3 HB3 MET 3 -1.970 3.292 -8.662 13 HG2 MET 3 HG2 MET 3 -1.150 5.321 -9.856 14 HG3 MET 3 HG3 MET 3 -0.648 4.286 -11.207 15 HE1 MET 3 HE1 MET 3 -3.969 4.635 -8.874 16 HE2 MET 3 HE2 MET 3 -3.521 6.243 -9.493 17 HE3 MET 3 HE3 MET 3 -5.008 5.450 -10.077 18 H ALA 4 H ALA 4 1.032 1.042 -9.908 19 HA ALA 4 HA ALA 4 3.477 2.146 -10.947 20 HB1 ALA 4 HB1 ALA 4 1.886 -0.379 -11.764 21 HB2 ALA 4 HB2 ALA 4 3.528 -0.013 -12.296 22 HB3 ALA 4 HB3 ALA 4 3.206 -0.342 -10.570 23 H LYS 5 H LYS 5 3.942 2.601 -13.136 24 HA LYS 5 HA LYS 5 1.940 4.146 -14.494 25 HB2 LYS 5 HB2 LYS 5 4.571 4.192 -14.623 26 HB3 LYS 5 HB3 LYS 5 4.320 2.992 -15.910 27 HG2 LYS 5 HG2 LYS 5 2.877 4.603 -17.139 28 HG3 LYS 5 HG3 LYS 5 3.161 5.796 -15.816 29 HD2 LYS 5 HD2 LYS 5 5.624 5.464 -16.252 30 HD3 LYS 5 HD3 LYS 5 5.174 4.589 -17.716 31 HE2 LYS 5 HE2 LYS 5 4.373 7.460 -17.055 32 HE3 LYS 5 HE3 LYS 5 5.777 7.004 -18.036 33 HZ1 LYS 5 HZ1 LYS 5 4.293 5.947 -19.615 34 HZ2 LYS 5 HZ2 LYS 5 3.877 7.542 -19.438 35 HZ3 LYS 5 HZ3 LYS 5 2.970 6.371 -18.729 36 H ALA 6 H ALA 6 0.391 3.488 -15.895 37 HA ALA 6 HA ALA 6 -0.130 0.721 -16.169 38 HB1 ALA 6 HB1 ALA 6 -1.918 1.558 -17.780 39 HB2 ALA 6 HB2 ALA 6 -1.950 2.365 -16.196 40 HB3 ALA 6 HB3 ALA 6 -1.261 3.187 -17.566 41 HA PRO 7 HA PRO 7 2.338 -0.026 -19.777 42 HB2 PRO 7 HB2 PRO 7 1.193 -2.328 -20.709 43 HB3 PRO 7 HB3 PRO 7 2.262 -2.307 -19.306 44 HG2 PRO 7 HG2 PRO 7 -0.707 -2.325 -19.557 45 HG3 PRO 7 HG3 PRO 7 0.325 -3.291 -18.485 46 HD2 PRO 7 HD2 PRO 7 -0.966 -1.073 -17.591 47 HD3 PRO 7 HD3 PRO 7 0.652 -1.530 -17.002 48 H GLU 8 H GLU 8 1.773 -0.657 -22.246 49 HA GLU 8 HA GLU 8 -0.277 1.206 -23.235 50 HB2 GLU 8 HB2 GLU 8 0.841 0.711 -25.249 51 HB3 GLU 8 HB3 GLU 8 2.112 0.806 -24.061 52 HG2 GLU 8 HG2 GLU 8 2.068 -1.695 -24.098 53 HG3 GLU 8 HG3 GLU 8 0.831 -1.682 -25.388 54 H SER 9 H SER 9 -1.837 0.441 -24.902 55 HA SER 9 HA SER 9 -2.585 -2.352 -24.991 56 HB2 SER 9 HB2 SER 9 -3.585 -1.466 -22.805 57 HB3 SER 9 HB3 SER 9 -4.649 -0.517 -23.828 58 HG SER 9 HG SER 9 -5.407 -2.626 -23.114 59 H ALA 10 H ALA 10 -4.838 -2.483 -26.141 60 HA ALA 10 HA ALA 10 -4.180 -1.686 -28.752 61 HB1 ALA 10 HB1 ALA 10 -5.591 -3.667 -28.081 62 HB2 ALA 10 HB2 ALA 10 -6.925 -2.530 -27.825 63 HB3 ALA 10 HB3 ALA 10 -6.236 -2.719 -29.440 64 H THR 11 H THR 11 -6.540 -0.079 -26.592 65 HA THR 11 HA THR 11 -7.666 1.478 -28.758 66 HB THR 11 HB THR 11 -7.760 2.215 -25.806 67 HG1 THR 11 HG1 THR 11 -9.712 0.836 -25.914 68 HG21 THR 11 HG21 THR 11 -8.824 3.810 -27.486 69 HG22 THR 11 HG22 THR 11 -10.016 3.071 -26.403 70 HG23 THR 11 HG23 THR 11 -9.846 2.469 -28.053 71 H GLU 12 H GLU 12 -5.205 2.091 -26.283 72 HA GLU 12 HA GLU 12 -4.955 4.864 -26.554 73 HB2 GLU 12 HB2 GLU 12 -3.072 2.664 -25.658 74 HB3 GLU 12 HB3 GLU 12 -2.691 4.389 -25.544 75 HG2 GLU 12 HG2 GLU 12 -3.454 3.811 -23.408 76 HG3 GLU 12 HG3 GLU 12 -4.749 4.702 -24.162 77 H LYS 13 H LYS 13 -3.296 2.226 -28.302 78 HA LYS 13 HA LYS 13 -1.403 4.033 -29.501 79 HB2 LYS 13 HB2 LYS 13 -0.975 2.209 -31.076 80 HB3 LYS 13 HB3 LYS 13 -0.927 1.694 -29.387 81 HG2 LYS 13 HG2 LYS 13 -3.064 0.590 -29.573 82 HG3 LYS 13 HG3 LYS 13 -3.336 1.241 -31.201 83 HD2 LYS 13 HD2 LYS 13 -1.120 -0.671 -30.500 84 HD3 LYS 13 HD3 LYS 13 -2.705 -1.135 -31.114 85 HE2 LYS 13 HE2 LYS 13 -2.224 0.421 -33.094 86 HE3 LYS 13 HE3 LYS 13 -0.555 0.507 -32.504 87 HZ1 LYS 13 HZ1 LYS 13 -0.403 -1.883 -32.721 88 HZ2 LYS 13 HZ2 LYS 13 -0.830 -1.227 -34.178 89 HZ3 LYS 13 HZ3 LYS 13 -1.979 -1.984 -33.263 90 H VAL 14 H VAL 14 -4.713 3.096 -30.465 91 HA VAL 14 HA VAL 14 -4.469 4.093 -33.155 92 HB VAL 14 HB VAL 14 -6.924 3.760 -31.353 93 HG11 VAL 14 HG11 VAL 14 -8.172 3.777 -33.531 94 HG12 VAL 14 HG12 VAL 14 -7.431 5.345 -33.123 95 HG13 VAL 14 HG13 VAL 14 -6.708 4.313 -34.331 96 HG21 VAL 14 HG21 VAL 14 -5.799 1.653 -31.818 97 HG22 VAL 14 HG22 VAL 14 -7.331 1.733 -32.710 98 HG23 VAL 14 HG23 VAL 14 -5.760 2.007 -33.546 99 H LEU 15 H LEU 15 -5.568 5.390 -30.026 100 HA LEU 15 HA LEU 15 -6.342 7.966 -30.993 101 HB2 LEU 15 HB2 LEU 15 -5.432 6.903 -28.312 102 HB3 LEU 15 HB3 LEU 15 -5.977 8.535 -28.521 103 HG LEU 15 HG LEU 15 -7.670 6.120 -29.211 104 HD11 LEU 15 HD11 LEU 15 -7.406 7.569 -26.570 105 HD12 LEU 15 HD12 LEU 15 -6.950 5.894 -26.908 106 HD13 LEU 15 HD13 LEU 15 -8.655 6.328 -26.946 107 HD21 LEU 15 HD21 LEU 15 -9.541 7.633 -28.845 108 HD22 LEU 15 HD22 LEU 15 -8.461 8.220 -30.120 109 HD23 LEU 15 HD23 LEU 15 -8.412 8.955 -28.494 110 H CYS 16 H CYS 16 -3.232 6.730 -29.733 111 HA CYS 16 HA CYS 16 -1.887 9.256 -29.842 112 HB2 CYS 16 HB2 CYS 16 -0.947 6.401 -30.150 113 HB3 CYS 16 HB3 CYS 16 0.192 7.735 -30.259 114 HG CYS 16 HG CYS 16 -0.344 8.767 -27.945 115 H ALA 17 H ALA 17 -2.275 6.745 -32.431 116 HA ALA 17 HA ALA 17 -0.572 8.141 -34.270 117 HB1 ALA 17 HB1 ALA 17 -2.910 6.240 -34.859 118 HB2 ALA 17 HB2 ALA 17 -1.618 6.689 -35.995 119 HB3 ALA 17 HB3 ALA 17 -1.218 5.731 -34.534 120 H LEU 18 H LEU 18 -4.086 8.294 -33.650 121 HA LEU 18 HA LEU 18 -4.703 10.052 -35.817 122 HB2 LEU 18 HB2 LEU 18 -5.965 8.850 -33.500 123 HB3 LEU 18 HB3 LEU 18 -6.490 10.513 -33.733 124 HG LEU 18 HG LEU 18 -7.237 10.075 -35.969 125 HD11 LEU 18 HD11 LEU 18 -7.210 7.775 -36.916 126 HD12 LEU 18 HD12 LEU 18 -6.212 7.216 -35.567 127 HD13 LEU 18 HD13 LEU 18 -5.561 8.418 -36.724 128 HD21 LEU 18 HD21 LEU 18 -8.752 9.611 -34.094 129 HD22 LEU 18 HD22 LEU 18 -8.230 7.909 -34.143 130 HD23 LEU 18 HD23 LEU 18 -9.052 8.608 -35.523 131 H TYR 19 H TYR 19 -3.525 10.645 -32.511 132 HA TYR 19 HA TYR 19 -3.920 13.524 -32.580 133 HB2 TYR 19 HB2 TYR 19 -2.127 11.592 -31.075 134 HB3 TYR 19 HB3 TYR 19 -1.736 13.270 -31.056 135 HD1 TYR 19 HD1 TYR 19 -5.169 11.627 -30.813 136 HD2 TYR 19 HD2 TYR 19 -2.127 13.988 -28.849 137 HE1 TYR 19 HE1 TYR 19 -6.679 11.981 -28.888 138 HE2 TYR 19 HE2 TYR 19 -3.698 14.333 -26.908 139 HH TYR 19 HH TYR 19 -6.894 12.765 -26.824 140 H ALA 20 H ALA 20 -1.217 11.331 -33.635 141 HA ALA 20 HA ALA 20 0.533 13.456 -34.312 142 HB1 ALA 20 HB1 ALA 20 1.250 11.087 -34.077 143 HB2 ALA 20 HB2 ALA 20 0.345 10.654 -35.555 144 HB3 ALA 20 HB3 ALA 20 1.740 11.756 -35.627 145 H GLU 21 H GLU 21 -1.922 11.804 -36.272 146 HA GLU 21 HA GLU 21 -1.249 12.944 -38.807 147 HB2 GLU 21 HB2 GLU 21 -3.889 11.989 -37.684 148 HB3 GLU 21 HB3 GLU 21 -3.612 12.399 -39.347 149 HG2 GLU 21 HG2 GLU 21 -1.913 10.649 -39.567 150 HG3 GLU 21 HG3 GLU 21 -2.192 10.176 -37.877 151 H ILE 22 H ILE 22 -3.490 14.088 -36.219 152 HA ILE 22 HA ILE 22 -4.405 16.245 -37.994 153 HB ILE 22 HB ILE 22 -5.162 15.367 -35.155 154 HG12 ILE 22 HG12 ILE 22 -6.592 15.187 -37.817 155 HG13 ILE 22 HG13 ILE 22 -5.745 13.873 -37.064 156 HG21 ILE 22 HG21 ILE 22 -5.517 17.825 -35.382 157 HG22 ILE 22 HG22 ILE 22 -6.420 17.557 -36.891 158 HG23 ILE 22 HG23 ILE 22 -7.059 16.979 -35.332 159 HD11 ILE 22 HD11 ILE 22 -8.100 13.568 -36.672 160 HD12 ILE 22 HD12 ILE 22 -7.347 14.039 -35.114 161 HD13 ILE 22 HD13 ILE 22 -8.279 15.240 -36.091 162 H LEU 23 H LEU 23 -2.374 15.873 -35.127 163 HA LEU 23 HA LEU 23 -2.146 18.779 -34.770 164 HB2 LEU 23 HB2 LEU 23 -0.671 16.497 -33.411 165 HB3 LEU 23 HB3 LEU 23 -0.608 18.179 -32.949 166 HG LEU 23 HG LEU 23 -3.246 16.649 -33.020 167 HD11 LEU 23 HD11 LEU 23 -1.544 16.978 -30.551 168 HD12 LEU 23 HD12 LEU 23 -1.587 15.505 -31.545 169 HD13 LEU 23 HD13 LEU 23 -3.039 16.078 -30.724 170 HD21 LEU 23 HD21 LEU 23 -3.907 18.386 -31.396 171 HD22 LEU 23 HD22 LEU 23 -3.379 19.048 -32.941 172 HD23 LEU 23 HD23 LEU 23 -2.286 19.114 -31.559 173 H GLY 24 H GLY 24 -0.484 16.281 -36.507 174 HA2 GLY 24 HA2 GLY 24 1.075 16.619 -38.149 175 HA3 GLY 24 HA3 GLY 24 1.110 18.353 -37.783 176 H VAL 25 H VAL 25 1.738 15.804 -35.394 177 HA VAL 25 HA VAL 25 4.555 16.774 -35.227 178 HB VAL 25 HB VAL 25 4.491 16.023 -32.832 179 HG11 VAL 25 HG11 VAL 25 3.092 17.872 -32.005 180 HG12 VAL 25 HG12 VAL 25 3.931 18.371 -33.474 181 HG13 VAL 25 HG13 VAL 25 2.195 17.946 -33.527 182 HG21 VAL 25 HG21 VAL 25 2.692 14.253 -33.144 183 HG22 VAL 25 HG22 VAL 25 2.467 15.338 -31.749 184 HG23 VAL 25 HG23 VAL 25 1.487 15.584 -33.218 185 H GLU 26 H GLU 26 6.199 15.255 -34.797 186 HA GLU 26 HA GLU 26 5.968 12.955 -36.434 187 HB2 GLU 26 HB2 GLU 26 8.111 13.806 -34.449 188 HB3 GLU 26 HB3 GLU 26 8.293 12.503 -35.648 189 HG2 GLU 26 HG2 GLU 26 7.905 14.198 -37.461 190 HG3 GLU 26 HG3 GLU 26 7.922 15.471 -36.190 191 H ARG 27 H ARG 27 5.840 13.388 -32.956 192 HA ARG 27 HA ARG 27 5.239 10.434 -32.601 193 HB2 ARG 27 HB2 ARG 27 7.266 12.085 -31.041 194 HB3 ARG 27 HB3 ARG 27 6.622 10.552 -30.485 195 HG2 ARG 27 HG2 ARG 27 7.535 9.428 -32.445 196 HG3 ARG 27 HG3 ARG 27 8.188 10.971 -33.109 197 HD2 ARG 27 HD2 ARG 27 9.946 9.718 -32.011 198 HD3 ARG 27 HD3 ARG 27 9.621 11.221 -31.120 199 HE ARG 27 HE ARG 27 8.051 9.145 -29.967 200 HH11 ARG 27 HH11 ARG 27 11.434 10.079 -30.217 201 HH12 ARG 27 HH12 ARG 27 11.873 9.305 -28.721 202 HH21 ARG 27 HH21 ARG 27 8.667 8.162 -28.048 203 HH22 ARG 27 HH22 ARG 27 10.320 8.271 -27.493 204 H VAL 28 H VAL 28 3.973 9.977 -30.763 205 HA VAL 28 HA VAL 28 2.921 12.324 -29.270 206 HB VAL 28 HB VAL 28 1.290 9.974 -30.354 207 HG11 VAL 28 HG11 VAL 28 -0.644 11.237 -29.451 208 HG12 VAL 28 HG12 VAL 28 0.472 10.795 -28.172 209 HG13 VAL 28 HG13 VAL 28 0.462 12.476 -28.813 210 HG21 VAL 28 HG21 VAL 28 1.915 11.519 -32.119 211 HG22 VAL 28 HG22 VAL 28 0.209 11.630 -31.741 212 HG23 VAL 28 HG23 VAL 28 1.279 12.871 -31.156 213 H GLY 29 H GLY 29 3.164 12.042 -27.097 214 HA2 GLY 29 HA2 GLY 29 3.835 9.395 -26.043 215 HA3 GLY 29 HA3 GLY 29 3.791 10.886 -25.162 216 H VAL 30 H VAL 30 2.628 8.443 -24.218 217 HA VAL 30 HA VAL 30 -0.199 8.367 -24.789 218 HB VAL 30 HB VAL 30 -0.350 7.049 -22.646 219 HG11 VAL 30 HG11 VAL 30 0.109 6.093 -24.960 220 HG12 VAL 30 HG12 VAL 30 1.833 6.096 -24.518 221 HG13 VAL 30 HG13 VAL 30 0.723 5.100 -23.575 222 HG21 VAL 30 HG21 VAL 30 1.616 8.151 -21.471 223 HG22 VAL 30 HG22 VAL 30 1.721 6.383 -21.519 224 HG23 VAL 30 HG23 VAL 30 2.701 7.354 -22.663 225 H ASP 31 H ASP 31 1.647 10.634 -23.017 226 HA ASP 31 HA ASP 31 -0.786 11.512 -21.490 227 HB2 ASP 31 HB2 ASP 31 0.784 12.381 -19.851 228 HB3 ASP 31 HB3 ASP 31 0.999 10.652 -20.094 229 H ASP 32 H ASP 32 0.424 12.210 -24.296 230 HA ASP 32 HA ASP 32 1.345 14.922 -23.942 231 HB2 ASP 32 HB2 ASP 32 0.782 13.110 -26.227 232 HB3 ASP 32 HB3 ASP 32 0.603 14.841 -26.532 233 H ALA 33 H ALA 33 0.194 16.727 -23.697 234 HA ALA 33 HA ALA 33 -2.711 16.460 -23.707 235 HB1 ALA 33 HB1 ALA 33 -2.748 18.740 -22.940 236 HB2 ALA 33 HB2 ALA 33 -1.434 17.871 -22.083 237 HB3 ALA 33 HB3 ALA 33 -1.027 18.934 -23.429 238 H PHE 34 H PHE 34 -4.014 16.818 -25.349 239 HA PHE 34 HA PHE 34 -3.198 17.087 -27.959 240 HB2 PHE 34 HB2 PHE 34 -5.409 16.381 -27.092 241 HB3 PHE 34 HB3 PHE 34 -5.817 18.061 -26.755 242 HD1 PHE 34 HD1 PHE 34 -5.034 15.636 -29.488 243 HD2 PHE 34 HD2 PHE 34 -6.632 19.506 -28.489 244 HE1 PHE 34 HE1 PHE 34 -5.925 15.834 -31.777 245 HE2 PHE 34 HE2 PHE 34 -7.543 19.726 -30.798 246 HZ PHE 34 HZ PHE 34 -7.199 17.878 -32.451 247 H HIS 35 H HIS 35 -4.038 19.742 -25.744 248 HA HIS 35 HA HIS 35 -3.848 21.773 -27.809 249 HB2 HIS 35 HB2 HIS 35 -4.247 23.362 -25.980 250 HB3 HIS 35 HB3 HIS 35 -5.375 22.011 -25.925 251 HD1 HIS 35 HD1 HIS 35 -5.758 21.330 -23.488 252 HD2 HIS 35 HD2 HIS 35 -1.833 22.617 -24.196 253 HE1 HIS 35 HE1 HIS 35 -4.477 21.042 -21.310 254 H ASP 36 H ASP 36 -1.348 20.246 -25.878 255 HA ASP 36 HA ASP 36 0.399 22.637 -25.826 256 HB2 ASP 36 HB2 ASP 36 0.969 19.678 -25.269 257 HB3 ASP 36 HB3 ASP 36 2.144 20.978 -25.163 258 H LEU 37 H LEU 37 -0.300 19.803 -27.704 259 HA LEU 37 HA LEU 37 1.933 20.159 -29.570 260 HB2 LEU 37 HB2 LEU 37 -0.362 18.226 -29.252 261 HB3 LEU 37 HB3 LEU 37 0.552 18.246 -30.740 262 HG LEU 37 HG LEU 37 2.546 17.522 -29.661 263 HD11 LEU 37 HD11 LEU 37 2.587 16.795 -27.280 264 HD12 LEU 37 HD12 LEU 37 1.017 17.585 -27.049 265 HD13 LEU 37 HD13 LEU 37 2.437 18.560 -27.459 266 HD21 LEU 37 HD21 LEU 37 1.763 15.268 -29.054 267 HD22 LEU 37 HD22 LEU 37 0.800 15.893 -30.408 268 HD23 LEU 37 HD23 LEU 37 0.119 15.874 -28.754 269 H GLY 38 H GLY 38 -0.234 22.299 -29.252 270 HA2 GLY 38 HA2 GLY 38 -0.793 23.904 -30.833 271 HA3 GLY 38 HA3 GLY 38 -0.498 22.760 -32.138 272 H GLY 39 H GLY 39 -2.492 21.234 -29.895 273 HA2 GLY 39 HA2 GLY 39 -4.734 21.298 -31.679 274 HA3 GLY 39 HA3 GLY 39 -4.687 20.612 -30.051 275 H SER 40 H SER 40 -6.863 21.865 -31.235 276 HA SER 40 HA SER 40 -7.312 24.121 -29.352 277 HB2 SER 40 HB2 SER 40 -8.376 25.382 -31.193 278 HB3 SER 40 HB3 SER 40 -6.628 25.115 -31.492 279 HG SER 40 HG SER 40 -7.154 24.097 -33.224 280 H SER 41 H SER 41 -9.801 24.678 -29.518 281 HA SER 41 HA SER 41 -11.336 22.278 -29.131 282 HB2 SER 41 HB2 SER 41 -13.253 23.905 -29.098 283 HB3 SER 41 HB3 SER 41 -11.881 24.440 -28.094 284 HG SER 41 HG SER 41 -12.491 26.169 -29.395 285 H ALA 42 H ALA 42 -10.655 24.279 -31.956 286 HA ALA 42 HA ALA 42 -12.764 23.213 -33.638 287 HB1 ALA 42 HB1 ALA 42 -11.576 24.321 -35.435 288 HB2 ALA 42 HB2 ALA 42 -11.628 25.398 -34.047 289 HB3 ALA 42 HB3 ALA 42 -10.131 24.505 -34.426 290 H LEU 43 H LEU 43 -9.292 22.416 -33.043 291 HA LEU 43 HA LEU 43 -9.304 20.332 -35.058 292 HB2 LEU 43 HB2 LEU 43 -7.394 20.932 -32.794 293 HB3 LEU 43 HB3 LEU 43 -7.187 19.637 -33.930 294 HG LEU 43 HG LEU 43 -7.330 22.541 -34.797 295 HD11 LEU 43 HD11 LEU 43 -4.885 22.268 -35.179 296 HD12 LEU 43 HD12 LEU 43 -4.918 20.735 -34.360 297 HD13 LEU 43 HD13 LEU 43 -5.331 22.224 -33.454 298 HD21 LEU 43 HD21 LEU 43 -6.643 19.955 -36.276 299 HD22 LEU 43 HD22 LEU 43 -6.384 21.590 -36.928 300 HD23 LEU 43 HD23 LEU 43 -8.042 21.011 -36.590 301 H ALA 44 H ALA 44 -10.185 20.522 -31.667 302 HA ALA 44 HA ALA 44 -10.118 17.699 -31.136 303 HB1 ALA 44 HB1 ALA 44 -11.998 19.847 -30.045 304 HB2 ALA 44 HB2 ALA 44 -11.697 18.248 -29.318 305 HB3 ALA 44 HB3 ALA 44 -10.369 19.460 -29.395 306 H MET 45 H MET 45 -12.412 19.794 -32.876 307 HA MET 45 HA MET 45 -14.583 17.901 -32.933 308 HB2 MET 45 HB2 MET 45 -13.902 20.086 -34.891 309 HB3 MET 45 HB3 MET 45 -15.452 19.243 -34.840 310 HG2 MET 45 HG2 MET 45 -15.874 20.121 -32.580 311 HG3 MET 45 HG3 MET 45 -14.317 20.990 -32.597 312 HE1 MET 45 HE1 MET 45 -16.741 22.775 -31.916 313 HE2 MET 45 HE2 MET 45 -15.065 23.312 -32.229 314 HE3 MET 45 HE3 MET 45 -16.432 24.126 -33.031 315 H ARG 46 H ARG 46 -11.680 18.461 -34.906 316 HA ARG 46 HA ARG 46 -12.440 16.702 -37.088 317 HB2 ARG 46 HB2 ARG 46 -9.612 17.383 -36.206 318 HB3 ARG 46 HB3 ARG 46 -10.140 16.897 -37.815 319 HG2 ARG 46 HG2 ARG 46 -10.596 19.526 -36.381 320 HG3 ARG 46 HG3 ARG 46 -9.524 19.230 -37.747 321 HD2 ARG 46 HD2 ARG 46 -11.733 18.539 -39.025 322 HD3 ARG 46 HD3 ARG 46 -12.589 19.241 -37.680 323 HE ARG 46 HE ARG 46 -10.623 21.096 -38.640 324 HH11 ARG 46 HH11 ARG 46 -13.805 19.720 -39.592 325 HH12 ARG 46 HH12 ARG 46 -14.269 21.165 -40.421 326 HH21 ARG 46 HH21 ARG 46 -11.347 22.898 -39.786 327 HH22 ARG 46 HH22 ARG 46 -12.928 22.886 -40.549 328 H LEU 47 H LEU 47 -10.508 16.486 -34.095 329 HA LEU 47 HA LEU 47 -9.597 13.821 -34.391 330 HB2 LEU 47 HB2 LEU 47 -8.847 15.429 -32.604 331 HB3 LEU 47 HB3 LEU 47 -10.392 15.283 -31.873 332 HG LEU 47 HG LEU 47 -9.959 12.890 -31.460 333 HD11 LEU 47 HD11 LEU 47 -8.370 12.426 -33.276 334 HD12 LEU 47 HD12 LEU 47 -7.701 11.918 -31.686 335 HD13 LEU 47 HD13 LEU 47 -7.141 13.411 -32.464 336 HD21 LEU 47 HD21 LEU 47 -9.431 14.604 -29.749 337 HD22 LEU 47 HD22 LEU 47 -7.738 14.618 -30.330 338 HD23 LEU 47 HD23 LEU 47 -8.451 13.126 -29.587 339 H ILE 48 H ILE 48 -12.556 15.044 -32.726 340 HA ILE 48 HA ILE 48 -13.444 12.476 -31.903 341 HB ILE 48 HB ILE 48 -14.988 15.050 -32.513 342 HG12 ILE 48 HG12 ILE 48 -14.522 13.807 -29.788 343 HG13 ILE 48 HG13 ILE 48 -13.251 14.757 -30.554 344 HG21 ILE 48 HG21 ILE 48 -16.039 12.440 -31.264 345 HG22 ILE 48 HG22 ILE 48 -16.900 13.987 -31.153 346 HG23 ILE 48 HG23 ILE 48 -16.610 13.224 -32.744 347 HD11 ILE 48 HD11 ILE 48 -14.834 16.681 -30.758 348 HD12 ILE 48 HD12 ILE 48 -16.021 15.721 -29.843 349 HD13 ILE 48 HD13 ILE 48 -14.475 16.196 -29.109 350 H ALA 49 H ALA 49 -13.991 14.272 -34.949 351 HA ALA 49 HA ALA 49 -15.876 12.410 -36.017 352 HB1 ALA 49 HB1 ALA 49 -15.565 14.727 -36.869 353 HB2 ALA 49 HB2 ALA 49 -13.988 14.239 -37.578 354 HB3 ALA 49 HB3 ALA 49 -15.502 13.497 -38.144 355 H ARG 50 H ARG 50 -12.297 12.588 -36.205 356 HA ARG 50 HA ARG 50 -11.983 10.436 -38.100 357 HB2 ARG 50 HB2 ARG 50 -10.265 12.162 -37.049 358 HB3 ARG 50 HB3 ARG 50 -9.984 10.736 -36.048 359 HG2 ARG 50 HG2 ARG 50 -8.373 10.967 -37.938 360 HG3 ARG 50 HG3 ARG 50 -9.441 9.584 -38.192 361 HD2 ARG 50 HD2 ARG 50 -10.849 10.774 -39.800 362 HD3 ARG 50 HD3 ARG 50 -9.982 12.296 -39.447 363 HE ARG 50 HE ARG 50 -8.008 10.476 -40.241 364 HH11 ARG 50 HH11 ARG 50 -10.816 11.951 -41.761 365 HH12 ARG 50 HH12 ARG 50 -10.151 11.826 -43.350 366 HH21 ARG 50 HH21 ARG 50 -7.199 10.318 -42.282 367 HH22 ARG 50 HH22 ARG 50 -8.111 10.895 -43.659 368 H ILE 51 H ILE 51 -12.313 10.558 -34.555 369 HA ILE 51 HA ILE 51 -11.460 7.809 -33.944 370 HB ILE 51 HB ILE 51 -13.136 9.781 -32.417 371 HG12 ILE 51 HG12 ILE 51 -10.358 8.623 -31.934 372 HG13 ILE 51 HG13 ILE 51 -10.587 10.140 -32.824 373 HG21 ILE 51 HG21 ILE 51 -12.848 8.140 -30.594 374 HG22 ILE 51 HG22 ILE 51 -13.992 7.659 -31.868 375 HG23 ILE 51 HG23 ILE 51 -12.326 6.984 -31.815 376 HD11 ILE 51 HD11 ILE 51 -11.710 11.062 -30.781 377 HD12 ILE 51 HD12 ILE 51 -11.319 9.555 -29.925 378 HD13 ILE 51 HD13 ILE 51 -10.012 10.635 -30.511 379 H ARG 52 H ARG 52 -14.466 9.214 -35.286 380 HA ARG 52 HA ARG 52 -16.018 6.869 -34.696 381 HB2 ARG 52 HB2 ARG 52 -16.256 8.841 -36.990 382 HB3 ARG 52 HB3 ARG 52 -17.503 7.638 -36.565 383 HG2 ARG 52 HG2 ARG 52 -17.992 8.731 -34.515 384 HG3 ARG 52 HG3 ARG 52 -16.583 9.823 -34.696 385 HD2 ARG 52 HD2 ARG 52 -17.538 10.841 -36.639 386 HD3 ARG 52 HD3 ARG 52 -18.879 9.658 -36.677 387 HE ARG 52 HE ARG 52 -18.965 10.870 -34.147 388 HH11 ARG 52 HH11 ARG 52 -19.414 11.869 -37.494 389 HH12 ARG 52 HH12 ARG 52 -20.471 13.184 -37.042 390 HH21 ARG 52 HH21 ARG 52 -20.274 12.566 -33.647 391 HH22 ARG 52 HH22 ARG 52 -20.970 13.579 -34.887 392 H GLU 53 H GLU 53 -13.806 7.706 -37.296 393 HA GLU 53 HA GLU 53 -14.713 5.610 -39.085 394 HB2 GLU 53 HB2 GLU 53 -12.000 6.868 -39.076 395 HB3 GLU 53 HB3 GLU 53 -12.898 6.243 -40.463 396 HG2 GLU 53 HG2 GLU 53 -13.580 8.817 -38.899 397 HG3 GLU 53 HG3 GLU 53 -12.847 8.798 -40.511 398 H GLU 54 H GLU 54 -12.162 6.133 -36.702 399 HA GLU 54 HA GLU 54 -10.845 3.658 -37.339 400 HB2 GLU 54 HB2 GLU 54 -10.522 5.602 -35.098 401 HB3 GLU 54 HB3 GLU 54 -9.532 4.163 -35.280 402 HG2 GLU 54 HG2 GLU 54 -9.769 6.411 -37.292 403 HG3 GLU 54 HG3 GLU 54 -8.433 6.127 -36.163 404 H LEU 55 H LEU 55 -12.755 4.766 -34.473 405 HA LEU 55 HA LEU 55 -12.544 1.970 -33.400 406 HB2 LEU 55 HB2 LEU 55 -13.323 4.532 -31.997 407 HB3 LEU 55 HB3 LEU 55 -13.139 2.959 -31.234 408 HG LEU 55 HG LEU 55 -10.906 4.702 -32.359 409 HD11 LEU 55 HD11 LEU 55 -10.202 4.890 -29.981 410 HD12 LEU 55 HD12 LEU 55 -11.577 3.880 -29.495 411 HD13 LEU 55 HD13 LEU 55 -11.875 5.489 -30.186 412 HD21 LEU 55 HD21 LEU 55 -9.364 3.074 -31.322 413 HD22 LEU 55 HD22 LEU 55 -10.319 2.313 -32.624 414 HD23 LEU 55 HD23 LEU 55 -10.744 2.019 -30.918 415 H GLY 56 H GLY 56 -14.627 3.961 -35.062 416 HA2 GLY 56 HA2 GLY 56 -16.840 3.581 -35.617 417 HA3 GLY 56 HA3 GLY 56 -16.760 2.016 -34.746 418 H VAL 57 H VAL 57 -16.117 5.111 -33.102 419 HA VAL 57 HA VAL 57 -18.792 4.997 -31.886 420 HB VAL 57 HB VAL 57 -17.863 5.153 -29.542 421 HG11 VAL 57 HG11 VAL 57 -17.316 2.849 -29.233 422 HG12 VAL 57 HG12 VAL 57 -18.530 2.954 -30.515 423 HG13 VAL 57 HG13 VAL 57 -16.836 2.657 -30.906 424 HG21 VAL 57 HG21 VAL 57 -15.528 4.587 -29.072 425 HG22 VAL 57 HG22 VAL 57 -15.169 4.481 -30.820 426 HG23 VAL 57 HG23 VAL 57 -15.602 6.031 -30.084 427 H ASP 58 H ASP 58 -19.382 6.897 -30.691 428 HA ASP 58 HA ASP 58 -18.209 9.334 -31.779 429 HB2 ASP 58 HB2 ASP 58 -20.636 8.659 -30.115 430 HB3 ASP 58 HB3 ASP 58 -20.104 10.326 -30.376 431 H LEU 59 H LEU 59 -16.293 9.855 -30.777 432 HA LEU 59 HA LEU 59 -15.744 9.342 -28.057 433 HB2 LEU 59 HB2 LEU 59 -14.160 9.916 -29.948 434 HB3 LEU 59 HB3 LEU 59 -14.601 11.575 -29.707 435 HG LEU 59 HG LEU 59 -12.432 11.047 -28.731 436 HD11 LEU 59 HD11 LEU 59 -12.589 12.098 -26.666 437 HD12 LEU 59 HD12 LEU 59 -14.283 11.625 -26.438 438 HD13 LEU 59 HD13 LEU 59 -13.881 12.814 -27.684 439 HD21 LEU 59 HD21 LEU 59 -13.905 9.235 -26.769 440 HD22 LEU 59 HD22 LEU 59 -12.147 9.559 -26.907 441 HD23 LEU 59 HD23 LEU 59 -12.994 8.664 -28.189 442 HA PRO 60 HA PRO 60 -18.458 12.565 -26.456 443 HB2 PRO 60 HB2 PRO 60 -17.261 11.860 -23.839 444 HB3 PRO 60 HB3 PRO 60 -18.953 11.824 -24.346 445 HG2 PRO 60 HG2 PRO 60 -17.620 9.598 -23.961 446 HG3 PRO 60 HG3 PRO 60 -18.811 9.764 -25.282 447 HD2 PRO 60 HD2 PRO 60 -15.769 9.932 -25.402 448 HD3 PRO 60 HD3 PRO 60 -16.946 9.070 -26.433 449 H ILE 61 H ILE 61 -17.824 14.698 -26.846 450 HA ILE 61 HA ILE 61 -15.165 15.616 -26.443 451 HB ILE 61 HB ILE 61 -16.969 16.665 -27.873 452 HG12 ILE 61 HG12 ILE 61 -15.609 18.592 -25.982 453 HG13 ILE 61 HG13 ILE 61 -14.686 17.662 -27.253 454 HG21 ILE 61 HG21 ILE 61 -18.813 16.751 -26.184 455 HG22 ILE 61 HG22 ILE 61 -17.890 17.962 -25.267 456 HG23 ILE 61 HG23 ILE 61 -18.528 18.327 -26.905 457 HD11 ILE 61 HD11 ILE 61 -15.227 19.975 -28.021 458 HD12 ILE 61 HD12 ILE 61 -16.077 18.796 -29.020 459 HD13 ILE 61 HD13 ILE 61 -16.947 19.733 -27.748 460 H ARG 62 H ARG 62 -17.816 15.326 -24.119 461 HA ARG 62 HA ARG 62 -16.621 17.106 -22.155 462 HB2 ARG 62 HB2 ARG 62 -18.665 14.853 -21.967 463 HB3 ARG 62 HB3 ARG 62 -18.005 15.661 -20.532 464 HG2 ARG 62 HG2 ARG 62 -19.549 17.042 -22.788 465 HG3 ARG 62 HG3 ARG 62 -20.156 16.651 -21.180 466 HD2 ARG 62 HD2 ARG 62 -17.916 18.622 -21.819 467 HD3 ARG 62 HD3 ARG 62 -19.554 19.024 -21.300 468 HE ARG 62 HE ARG 62 -18.917 17.637 -19.197 469 HH11 ARG 62 HH11 ARG 62 -16.678 19.801 -20.882 470 HH12 ARG 62 HH12 ARG 62 -15.751 20.121 -19.418 471 HH21 ARG 62 HH21 ARG 62 -17.677 18.101 -17.385 472 HH22 ARG 62 HH22 ARG 62 -16.318 19.243 -17.513 473 H GLN 63 H GLN 63 -16.045 13.678 -22.965 474 HA GLN 63 HA GLN 63 -14.409 13.211 -20.561 475 HB2 GLN 63 HB2 GLN 63 -15.142 11.633 -22.960 476 HB3 GLN 63 HB3 GLN 63 -13.536 11.349 -22.303 477 HG2 GLN 63 HG2 GLN 63 -14.708 9.815 -21.141 478 HG3 GLN 63 HG3 GLN 63 -14.861 11.193 -20.004 479 HE21 GLN 63 HE21 GLN 63 -16.881 12.579 -20.450 480 HE22 GLN 63 HE22 GLN 63 -18.357 11.690 -20.788 481 H LEU 64 H LEU 64 -13.956 14.122 -23.930 482 HA LEU 64 HA LEU 64 -11.145 14.047 -23.947 483 HB2 LEU 64 HB2 LEU 64 -12.695 14.292 -25.904 484 HB3 LEU 64 HB3 LEU 64 -12.957 15.970 -25.469 485 HG LEU 64 HG LEU 64 -10.518 16.388 -25.816 486 HD11 LEU 64 HD11 LEU 64 -10.480 13.562 -26.838 487 HD12 LEU 64 HD12 LEU 64 -9.592 14.167 -25.459 488 HD13 LEU 64 HD13 LEU 64 -9.182 14.748 -27.073 489 HD21 LEU 64 HD21 LEU 64 -10.609 16.303 -28.198 490 HD22 LEU 64 HD22 LEU 64 -12.189 16.704 -27.528 491 HD23 LEU 64 HD23 LEU 64 -11.913 15.093 -28.141 492 H PHE 65 H PHE 65 -13.396 16.727 -23.117 493 HA PHE 65 HA PHE 65 -11.214 18.510 -22.582 494 HB2 PHE 65 HB2 PHE 65 -14.158 18.570 -21.962 495 HB3 PHE 65 HB3 PHE 65 -13.029 19.835 -21.374 496 HD1 PHE 65 HD2 PHE 65 -11.722 18.826 -24.523 497 HD2 PHE 65 HD1 PHE 65 -14.997 21.012 -22.787 498 HE1 PHE 65 HE2 PHE 65 -12.007 20.088 -26.666 499 HE2 PHE 65 HE1 PHE 65 -15.295 22.275 -24.891 500 HZ PHE 65 HZ PHE 65 -13.766 21.836 -26.811 501 H SER 66 H SER 66 -12.876 16.095 -20.663 502 HA SER 66 HA SER 66 -11.896 17.111 -18.096 503 HB2 SER 66 HB2 SER 66 -12.895 14.375 -18.966 504 HB3 SER 66 HB3 SER 66 -12.493 14.829 -17.299 505 HG SER 66 HG SER 66 -14.659 15.469 -18.887 506 H SER 67 H SER 67 -10.554 15.078 -20.661 507 HA SER 67 HA SER 67 -7.978 15.025 -19.249 508 HB2 SER 67 HB2 SER 67 -7.767 12.516 -19.608 509 HB3 SER 67 HB3 SER 67 -8.932 13.028 -18.358 510 HG SER 67 HG SER 67 -9.705 12.526 -21.029 511 HA PRO 68 HA PRO 68 -7.920 15.585 -23.834 512 HB2 PRO 68 HB2 PRO 68 -6.253 17.740 -23.963 513 HB3 PRO 68 HB3 PRO 68 -7.887 17.918 -23.287 514 HG2 PRO 68 HG2 PRO 68 -5.301 17.430 -21.823 515 HG3 PRO 68 HG3 PRO 68 -6.498 18.766 -21.586 516 HD2 PRO 68 HD2 PRO 68 -6.566 16.508 -20.039 517 HD3 PRO 68 HD3 PRO 68 -8.075 17.342 -20.589 518 H THR 69 H THR 69 -6.280 13.550 -22.427 519 HA THR 69 HA THR 69 -3.792 13.721 -24.046 520 HB THR 69 HB THR 69 -2.783 12.180 -22.310 521 HG1 THR 69 HG1 THR 69 -3.903 12.025 -20.329 522 HG21 THR 69 HG21 THR 69 -3.723 14.820 -21.108 523 HG22 THR 69 HG22 THR 69 -2.359 14.639 -22.243 524 HG23 THR 69 HG23 THR 69 -2.327 13.841 -20.615 525 HA PRO 70 HA PRO 70 -5.636 10.382 -25.950 526 HB2 PRO 70 HB2 PRO 70 -3.621 8.688 -26.789 527 HB3 PRO 70 HB3 PRO 70 -3.811 10.302 -27.455 528 HG2 PRO 70 HG2 PRO 70 -2.025 9.403 -25.250 529 HG3 PRO 70 HG3 PRO 70 -1.672 10.331 -26.740 530 HD2 PRO 70 HD2 PRO 70 -2.058 11.602 -24.402 531 HD3 PRO 70 HD3 PRO 70 -2.718 12.264 -25.971 532 H ALA 71 H ALA 71 -3.296 9.168 -23.468 533 HA ALA 71 HA ALA 71 -4.841 6.688 -23.176 534 HB1 ALA 71 HB1 ALA 71 -2.391 6.847 -22.753 535 HB2 ALA 71 HB2 ALA 71 -2.732 7.927 -21.381 536 HB3 ALA 71 HB3 ALA 71 -3.294 6.234 -21.362 537 H GLY 72 H GLY 72 -4.916 9.909 -21.898 538 HA2 GLY 72 HA2 GLY 72 -6.262 9.270 -19.405 539 HA3 GLY 72 HA3 GLY 72 -6.169 10.851 -20.193 540 H VAL 73 H VAL 73 -7.359 10.462 -22.626 541 HA VAL 73 HA VAL 73 -10.112 10.545 -21.823 542 HB VAL 73 HB VAL 73 -9.080 11.742 -23.805 543 HG11 VAL 73 HG11 VAL 73 -9.480 9.092 -25.215 544 HG12 VAL 73 HG12 VAL 73 -8.979 10.629 -25.954 545 HG13 VAL 73 HG13 VAL 73 -7.908 9.835 -24.804 546 HG21 VAL 73 HG21 VAL 73 -11.508 11.662 -23.381 547 HG22 VAL 73 HG22 VAL 73 -11.101 11.652 -25.148 548 HG23 VAL 73 HG23 VAL 73 -11.596 10.135 -24.263 549 H ALA 74 H ALA 74 -8.053 7.974 -23.177 550 HA ALA 74 HA ALA 74 -10.134 6.166 -23.757 551 HB1 ALA 74 HB1 ALA 74 -8.326 4.389 -23.512 552 HB2 ALA 74 HB2 ALA 74 -7.812 5.766 -24.500 553 HB3 ALA 74 HB3 ALA 74 -7.255 5.608 -22.802 554 H ARG 75 H ARG 75 -8.255 6.544 -20.695 555 HA ARG 75 HA ARG 75 -9.773 4.458 -19.357 556 HB2 ARG 75 HB2 ARG 75 -8.145 6.805 -18.268 557 HB3 ARG 75 HB3 ARG 75 -8.755 5.485 -17.257 558 HG2 ARG 75 HG2 ARG 75 -7.372 3.902 -18.588 559 HG3 ARG 75 HG3 ARG 75 -6.812 5.223 -19.591 560 HD2 ARG 75 HD2 ARG 75 -6.024 6.361 -17.404 561 HD3 ARG 75 HD3 ARG 75 -6.253 4.752 -16.662 562 HE ARG 75 HE ARG 75 -4.593 3.854 -18.297 563 HH11 ARG 75 HH11 ARG 75 -4.665 7.412 -17.914 564 HH12 ARG 75 HH12 ARG 75 -3.043 7.579 -18.512 565 HH21 ARG 75 HH21 ARG 75 -2.583 4.185 -19.074 566 HH22 ARG 75 HH22 ARG 75 -1.913 5.794 -19.200 567 H ALA 76 H ALA 76 -10.170 8.005 -19.692 568 HA ALA 76 HA ALA 76 -12.108 8.229 -17.598 569 HB1 ALA 76 HB1 ALA 76 -12.622 10.427 -18.666 570 HB2 ALA 76 HB2 ALA 76 -10.890 10.174 -18.462 571 HB3 ALA 76 HB3 ALA 76 -11.638 9.967 -20.069 572 H LEU 77 H LEU 77 -12.421 7.465 -21.053 573 HA LEU 77 HA LEU 77 -15.345 7.624 -20.900 574 HB2 LEU 77 HB2 LEU 77 -15.389 7.116 -23.167 575 HB3 LEU 77 HB3 LEU 77 -14.045 8.256 -22.900 576 HG LEU 77 HG LEU 77 -12.611 5.995 -23.023 577 HD11 LEU 77 HD11 LEU 77 -14.533 4.464 -23.249 578 HD12 LEU 77 HD12 LEU 77 -13.508 4.464 -24.698 579 HD13 LEU 77 HD13 LEU 77 -15.054 5.375 -24.695 580 HD21 LEU 77 HD21 LEU 77 -12.415 7.981 -24.479 581 HD22 LEU 77 HD22 LEU 77 -13.798 7.363 -25.436 582 HD23 LEU 77 HD23 LEU 77 -12.280 6.456 -25.390 583 H ALA 78 H ALA 78 -12.869 5.053 -20.896 584 HA ALA 78 HA ALA 78 -14.626 2.864 -21.214 585 HB1 ALA 78 HB1 ALA 78 -12.165 2.666 -21.338 586 HB2 ALA 78 HB2 ALA 78 -12.047 3.023 -19.608 587 HB3 ALA 78 HB3 ALA 78 -12.835 1.551 -20.176 588 H ALA 79 H ALA 79 -13.760 4.760 -18.325 589 HA ALA 79 HA ALA 79 -14.999 2.996 -16.443 590 HB1 ALA 79 HB1 ALA 79 -13.362 4.715 -15.762 591 HB2 ALA 79 HB2 ALA 79 -14.469 6.003 -16.343 592 HB3 ALA 79 HB3 ALA 79 -14.938 5.025 -14.974 593 H LYS 80 H LYS 80 -16.322 5.429 -18.667 594 HA LYS 80 HA LYS 80 -18.860 5.464 -17.121 595 HB2 LYS 80 HB2 LYS 80 -17.896 7.087 -19.464 596 HB3 LYS 80 HB3 LYS 80 -19.475 7.301 -18.735 597 HG2 LYS 80 HG2 LYS 80 -18.510 7.906 -16.601 598 HG3 LYS 80 HG3 LYS 80 -16.902 7.501 -17.201 599 HD2 LYS 80 HD2 LYS 80 -17.079 9.231 -18.877 600 HD3 LYS 80 HD3 LYS 80 -18.690 9.703 -18.256 601 HE2 LYS 80 HE2 LYS 80 -16.873 11.169 -17.373 602 HE3 LYS 80 HE3 LYS 80 -17.685 10.267 -16.054 603 HZ1 LYS 80 HZ1 LYS 80 -15.235 10.230 -15.906 604 HZ2 LYS 80 HZ2 LYS 80 -15.144 9.403 -17.319 605 HZ3 LYS 80 HZ3 LYS 80 -15.900 8.734 -15.982 606 H SER 81 H SER 81 -17.524 3.820 -19.788 607 HA SER 81 HA SER 81 -20.211 3.201 -20.909 608 HB2 SER 81 HB2 SER 81 -18.926 2.065 -22.694 609 HB3 SER 81 HB3 SER 81 -18.504 3.772 -22.559 610 HG SER 81 HG SER 81 -16.971 1.547 -21.989 611 H ALA 82 H ALA 82 -18.304 2.301 -18.421 612 HA ALA 82 HA ALA 82 -18.328 -0.569 -18.672 613 HB1 ALA 82 HB1 ALA 82 -16.658 0.618 -17.301 614 HB2 ALA 82 HB2 ALA 82 -17.975 1.158 -16.216 615 HB3 ALA 82 HB3 ALA 82 -17.560 -0.555 -16.358 616 H SER 83 H SER 83 -19.599 -1.964 -17.273 617 HA SER 83 HA SER 83 -22.414 -1.313 -17.238 618 HB2 SER 83 HB2 SER 83 -21.005 -3.536 -15.773 619 HB3 SER 83 HB3 SER 83 -22.686 -3.515 -16.293 620 HG SER 83 HG SER 83 -21.713 -3.219 -18.481 621 H TRP 84 H TRP 84 -19.900 -0.582 -15.083 622 HA TRP 84 HA TRP 84 -21.455 -0.687 -12.610 623 HB2 TRP 84 HB2 TRP 84 -18.828 0.701 -13.278 624 HB3 TRP 84 HB3 TRP 84 -19.512 0.478 -11.643 625 HD1 TRP 84 HD1 TRP 84 -17.147 -1.127 -14.001 626 HE1 TRP 84 HE1 TRP 84 -16.514 -3.467 -13.328 627 HE3 TRP 84 HE3 TRP 84 -20.862 -1.867 -10.566 628 HZ2 TRP 84 HZ2 TRP 84 -17.465 -5.425 -11.488 629 HZ3 TRP 84 HZ3 TRP 84 -20.950 -4.069 -9.337 630 HH2 TRP 84 HH2 TRP 84 -19.248 -5.837 -9.818 631 H SER 85 H SER 85 -22.251 1.021 -11.453 632 HA SER 85 HA SER 85 -22.634 3.593 -12.962 633 HB2 SER 85 HB2 SER 85 -24.434 2.268 -10.928 634 HB3 SER 85 HB3 SER 85 -24.757 3.807 -11.743 635 HG SER 85 HG SER 85 -24.195 1.537 -13.289 636 H HIS 86 H HIS 86 -22.479 5.471 -11.777 637 HA HIS 86 HA HIS 86 -20.793 5.298 -9.344 638 HB2 HIS 86 HB2 HIS 86 -21.787 7.675 -11.002 639 HB3 HIS 86 HB3 HIS 86 -20.777 7.794 -9.578 640 HD1 HIS 86 HD1 HIS 86 -18.446 6.096 -9.884 641 HD2 HIS 86 HD2 HIS 86 -20.274 7.805 -13.232 642 HE1 HIS 86 HE1 HIS 86 -16.728 6.083 -11.730 643 HA PRO 87 HA PRO 87 -24.400 6.116 -6.844 644 HB2 PRO 87 HB2 PRO 87 -23.376 7.282 -4.621 645 HB3 PRO 87 HB3 PRO 87 -23.078 5.552 -4.962 646 HG2 PRO 87 HG2 PRO 87 -21.295 7.901 -5.497 647 HG3 PRO 87 HG3 PRO 87 -20.907 6.335 -4.726 648 HD2 PRO 87 HD2 PRO 87 -20.363 6.761 -7.368 649 HD3 PRO 87 HD3 PRO 87 -20.890 5.175 -6.749 650 H GLN 88 H GLN 88 -25.824 7.847 -6.362 651 HA GLN 88 HA GLN 88 -24.864 10.631 -6.830 652 HB2 GLN 88 HB2 GLN 88 -25.664 9.689 -8.991 653 HB3 GLN 88 HB3 GLN 88 -27.248 9.386 -8.253 654 HG2 GLN 88 HG2 GLN 88 -27.569 11.746 -7.935 655 HG3 GLN 88 HG3 GLN 88 -25.929 12.109 -8.485 656 HE21 GLN 88 HE21 GLN 88 -29.124 11.887 -9.412 657 HE22 GLN 88 HE22 GLN 88 -28.898 11.876 -11.149 658 H PHE 89 H PHE 89 -25.921 12.045 -5.529 659 HA PHE 89 HA PHE 89 -27.563 10.955 -3.393 660 HB2 PHE 89 HB2 PHE 89 -25.729 12.631 -3.040 661 HB3 PHE 89 HB3 PHE 89 -26.657 13.796 -3.968 662 HD1 PHE 89 HD1 PHE 89 -28.734 14.792 -3.052 663 HD2 PHE 89 HD2 PHE 89 -26.316 12.060 -0.779 664 HE1 PHE 89 HE1 PHE 89 -29.906 15.517 -1.012 665 HE2 PHE 89 HE2 PHE 89 -27.503 12.806 1.334 666 HZ PHE 89 HZ PHE 89 -29.296 14.510 1.200 667 H GLU 90 H GLU 90 -29.695 10.854 -3.442 668 HA GLU 90 HA GLU 90 -31.252 12.164 -5.528 669 HB2 GLU 90 HB2 GLU 90 -31.705 9.891 -4.504 670 HB3 GLU 90 HB3 GLU 90 -32.199 10.682 -3.039 671 HG2 GLU 90 HG2 GLU 90 -34.083 11.771 -4.155 672 HG3 GLU 90 HG3 GLU 90 -33.451 11.282 -5.711 673 H LYS 91 H LYS 91 -32.442 14.029 -5.313 674 HA LYS 91 HA LYS 91 -31.770 15.746 -3.026 675 HB2 LYS 91 HB2 LYS 91 -32.751 16.067 -5.813 676 HB3 LYS 91 HB3 LYS 91 -33.519 17.164 -4.661 677 HG2 LYS 91 HG2 LYS 91 -31.619 18.307 -5.593 678 HG3 LYS 91 HG3 LYS 91 -31.215 17.874 -3.950 679 HD2 LYS 91 HD2 LYS 91 -29.941 15.917 -4.785 680 HD3 LYS 91 HD3 LYS 91 -30.347 16.401 -6.432 681 HE2 LYS 91 HE2 LYS 91 -28.099 17.133 -5.853 682 HE3 LYS 91 HE3 LYS 91 -29.195 18.538 -6.084 683 HZ1 LYS 91 HZ1 LYS 91 -27.972 18.881 -4.061 684 HZ2 LYS 91 HZ2 LYS 91 -28.330 17.382 -3.466 685 HZ3 LYS 91 HZ3 LYS 91 -29.518 18.505 -3.622 Start of MODEL 20 1 H1 GLY 1 H GLY 1 19.927 3.383 -18.428 2 HA2 GLY 1 HA2 GLY 1 18.017 2.821 -19.737 3 HA3 GLY 1 HA3 GLY 1 18.072 1.250 -18.912 4 H ALA 2 H ALA 2 15.618 1.509 -19.195 5 HA ALA 2 HA ALA 2 14.618 2.888 -16.728 6 HB1 ALA 2 HB1 ALA 2 13.944 4.436 -18.523 7 HB2 ALA 2 HB2 ALA 2 13.404 3.069 -19.541 8 HB3 ALA 2 HB3 ALA 2 12.512 3.501 -18.050 9 H MET 3 H MET 3 12.806 1.845 -15.877 10 HA MET 3 HA MET 3 12.694 -1.009 -16.036 11 HB2 MET 3 HB2 MET 3 10.851 1.105 -14.825 12 HB3 MET 3 HB3 MET 3 10.628 -0.631 -14.612 13 HG2 MET 3 HG2 MET 3 11.727 -0.012 -12.639 14 HG3 MET 3 HG3 MET 3 13.025 -0.657 -13.668 15 HE1 MET 3 HE1 MET 3 14.666 2.384 -11.452 16 HE2 MET 3 HE2 MET 3 13.295 1.349 -10.921 17 HE3 MET 3 HE3 MET 3 14.748 0.613 -11.730 18 H ALA 4 H ALA 4 10.899 -2.282 -16.568 19 HA ALA 4 HA ALA 4 10.146 -2.096 -19.244 20 HB1 ALA 4 HB1 ALA 4 8.786 -4.117 -18.737 21 HB2 ALA 4 HB2 ALA 4 10.207 -4.197 -17.680 22 HB3 ALA 4 HB3 ALA 4 8.648 -3.648 -17.039 23 H LYS 5 H LYS 5 8.412 -1.387 -20.383 24 HA LYS 5 HA LYS 5 6.551 0.462 -19.165 25 HB2 LYS 5 HB2 LYS 5 7.517 0.535 -21.495 26 HB3 LYS 5 HB3 LYS 5 6.428 -0.828 -21.862 27 HG2 LYS 5 HG2 LYS 5 4.623 0.811 -20.994 28 HG3 LYS 5 HG3 LYS 5 5.808 2.066 -21.369 29 HD2 LYS 5 HD2 LYS 5 4.978 0.004 -23.421 30 HD3 LYS 5 HD3 LYS 5 4.054 1.476 -23.165 31 HE2 LYS 5 HE2 LYS 5 6.004 2.891 -23.762 32 HE3 LYS 5 HE3 LYS 5 6.976 1.408 -23.999 33 HZ1 LYS 5 HZ1 LYS 5 5.790 2.328 -26.095 34 HZ2 LYS 5 HZ2 LYS 5 4.390 1.857 -25.427 35 HZ3 LYS 5 HZ3 LYS 5 5.530 0.758 -25.789 36 H ALA 6 H ALA 6 4.528 0.155 -18.457 37 HA ALA 6 HA ALA 6 3.504 -2.506 -18.118 38 HB1 ALA 6 HB1 ALA 6 2.083 0.216 -17.903 39 HB2 ALA 6 HB2 ALA 6 1.261 -1.291 -17.569 40 HB3 ALA 6 HB3 ALA 6 2.615 -0.793 -16.575 41 HA PRO 7 HA PRO 7 1.967 -2.980 -22.199 42 HB2 PRO 7 HB2 PRO 7 -0.177 -4.697 -21.904 43 HB3 PRO 7 HB3 PRO 7 1.505 -5.244 -21.633 44 HG2 PRO 7 HG2 PRO 7 -0.556 -4.390 -19.599 45 HG3 PRO 7 HG3 PRO 7 0.510 -5.789 -19.597 46 HD2 PRO 7 HD2 PRO 7 1.087 -3.568 -18.172 47 HD3 PRO 7 HD3 PRO 7 2.387 -4.537 -18.974 48 H GLU 8 H GLU 8 0.636 -1.940 -23.662 49 HA GLU 8 HA GLU 8 -1.123 0.123 -22.559 50 HB2 GLU 8 HB2 GLU 8 -0.351 -0.676 -25.365 51 HB3 GLU 8 HB3 GLU 8 -1.398 0.703 -25.018 52 HG2 GLU 8 HG2 GLU 8 0.333 1.825 -23.775 53 HG3 GLU 8 HG3 GLU 8 1.388 0.416 -23.845 54 H SER 9 H SER 9 -3.325 0.309 -22.748 55 HA SER 9 HA SER 9 -4.746 -2.173 -23.313 56 HB2 SER 9 HB2 SER 9 -5.775 0.546 -22.541 57 HB3 SER 9 HB3 SER 9 -6.724 -0.960 -22.584 58 HG SER 9 HG SER 9 -5.090 -0.073 -20.631 59 H ALA 10 H ALA 10 -6.671 -2.244 -24.699 60 HA ALA 10 HA ALA 10 -5.902 -1.806 -27.375 61 HB1 ALA 10 HB1 ALA 10 -7.406 -3.541 -27.023 62 HB2 ALA 10 HB2 ALA 10 -8.499 -2.561 -26.026 63 HB3 ALA 10 HB3 ALA 10 -8.417 -2.314 -27.808 64 H THR 11 H THR 11 -8.080 0.211 -25.359 65 HA THR 11 HA THR 11 -8.773 2.024 -27.531 66 HB THR 11 HB THR 11 -9.020 2.785 -24.599 67 HG1 THR 11 HG1 THR 11 -10.698 1.372 -24.328 68 HG21 THR 11 HG21 THR 11 -11.014 2.812 -26.861 69 HG22 THR 11 HG22 THR 11 -9.893 4.136 -26.547 70 HG23 THR 11 HG23 THR 11 -11.161 3.711 -25.352 71 H GLU 12 H GLU 12 -6.451 1.996 -24.712 72 HA GLU 12 HA GLU 12 -5.685 4.721 -24.877 73 HB2 GLU 12 HB2 GLU 12 -4.047 2.262 -24.267 74 HB3 GLU 12 HB3 GLU 12 -3.501 3.904 -23.971 75 HG2 GLU 12 HG2 GLU 12 -5.459 4.253 -22.437 76 HG3 GLU 12 HG3 GLU 12 -5.972 2.599 -22.680 77 H LYS 13 H LYS 13 -4.279 1.920 -26.693 78 HA LYS 13 HA LYS 13 -2.192 3.530 -27.778 79 HB2 LYS 13 HB2 LYS 13 -1.637 1.570 -29.132 80 HB3 LYS 13 HB3 LYS 13 -2.079 1.122 -27.487 81 HG2 LYS 13 HG2 LYS 13 -4.279 0.444 -28.211 82 HG3 LYS 13 HG3 LYS 13 -3.829 0.837 -29.894 83 HD2 LYS 13 HD2 LYS 13 -2.044 -0.930 -29.704 84 HD3 LYS 13 HD3 LYS 13 -2.675 -1.275 -28.043 85 HE2 LYS 13 HE2 LYS 13 -4.907 -1.667 -29.048 86 HE3 LYS 13 HE3 LYS 13 -4.248 -1.439 -30.667 87 HZ1 LYS 13 HZ1 LYS 13 -3.545 -3.690 -28.820 88 HZ2 LYS 13 HZ2 LYS 13 -2.701 -3.365 -30.188 89 HZ3 LYS 13 HZ3 LYS 13 -4.297 -3.845 -30.259 90 H VAL 14 H VAL 14 -5.453 2.994 -28.845 91 HA VAL 14 HA VAL 14 -4.968 3.984 -31.537 92 HB VAL 14 HB VAL 14 -7.557 3.655 -29.921 93 HG11 VAL 14 HG11 VAL 14 -8.085 5.405 -31.484 94 HG12 VAL 14 HG12 VAL 14 -7.280 4.556 -32.812 95 HG13 VAL 14 HG13 VAL 14 -8.807 3.906 -32.100 96 HG21 VAL 14 HG21 VAL 14 -6.299 2.036 -32.086 97 HG22 VAL 14 HG22 VAL 14 -6.523 1.562 -30.416 98 HG23 VAL 14 HG23 VAL 14 -7.922 1.734 -31.460 99 H LEU 15 H LEU 15 -6.319 5.265 -28.492 100 HA LEU 15 HA LEU 15 -6.933 7.866 -29.449 101 HB2 LEU 15 HB2 LEU 15 -6.156 6.864 -26.724 102 HB3 LEU 15 HB3 LEU 15 -6.698 8.537 -26.976 103 HG LEU 15 HG LEU 15 -8.418 6.206 -27.890 104 HD11 LEU 15 HD11 LEU 15 -7.748 5.882 -25.367 105 HD12 LEU 15 HD12 LEU 15 -9.523 6.148 -25.643 106 HD13 LEU 15 HD13 LEU 15 -8.521 7.478 -25.050 107 HD21 LEU 15 HD21 LEU 15 -10.269 7.836 -27.256 108 HD22 LEU 15 HD22 LEU 15 -9.187 8.419 -28.585 109 HD23 LEU 15 HD23 LEU 15 -9.025 9.028 -26.926 110 H CYS 16 H CYS 16 -3.961 6.537 -28.053 111 HA CYS 16 HA CYS 16 -2.432 8.915 -27.919 112 HB2 CYS 16 HB2 CYS 16 -2.016 6.041 -27.719 113 HB3 CYS 16 HB3 CYS 16 -0.726 6.807 -28.698 114 HG CYS 16 HG CYS 16 0.348 8.219 -26.928 115 H ALA 17 H ALA 17 -2.678 6.506 -30.533 116 HA ALA 17 HA ALA 17 -0.768 7.824 -32.237 117 HB1 ALA 17 HB1 ALA 17 -1.317 5.394 -32.553 118 HB2 ALA 17 HB2 ALA 17 -3.029 5.799 -32.864 119 HB3 ALA 17 HB3 ALA 17 -1.742 6.265 -34.040 120 H LEU 18 H LEU 18 -4.381 7.908 -32.032 121 HA LEU 18 HA LEU 18 -4.742 9.676 -34.266 122 HB2 LEU 18 HB2 LEU 18 -6.435 9.354 -31.717 123 HB3 LEU 18 HB3 LEU 18 -6.926 10.335 -33.105 124 HG LEU 18 HG LEU 18 -6.440 7.301 -33.129 125 HD11 LEU 18 HD11 LEU 18 -8.848 7.123 -33.166 126 HD12 LEU 18 HD12 LEU 18 -9.030 8.866 -33.375 127 HD13 LEU 18 HD13 LEU 18 -8.443 8.217 -31.838 128 HD21 LEU 18 HD21 LEU 18 -5.966 8.332 -35.306 129 HD22 LEU 18 HD22 LEU 18 -7.452 9.236 -35.213 130 HD23 LEU 18 HD23 LEU 18 -7.534 7.482 -35.367 131 H TYR 19 H TYR 19 -3.859 10.269 -30.839 132 HA TYR 19 HA TYR 19 -4.297 13.170 -30.819 133 HB2 TYR 19 HB2 TYR 19 -2.778 11.165 -29.252 134 HB3 TYR 19 HB3 TYR 19 -2.111 12.782 -29.216 135 HD1 TYR 19 HD1 TYR 19 -5.649 11.602 -29.179 136 HD2 TYR 19 HD2 TYR 19 -2.477 13.483 -27.016 137 HE1 TYR 19 HE1 TYR 19 -7.237 12.111 -27.272 138 HE2 TYR 19 HE2 TYR 19 -4.072 14.021 -25.156 139 HH TYR 19 HH TYR 19 -7.487 13.048 -25.197 140 H ALA 20 H ALA 20 -1.564 10.999 -31.758 141 HA ALA 20 HA ALA 20 0.254 13.096 -32.383 142 HB1 ALA 20 HB1 ALA 20 0.484 10.425 -32.286 143 HB2 ALA 20 HB2 ALA 20 0.233 10.570 -34.028 144 HB3 ALA 20 HB3 ALA 20 1.604 11.403 -33.248 145 H GLU 21 H GLU 21 -2.165 11.461 -34.489 146 HA GLU 21 HA GLU 21 -1.308 12.605 -36.886 147 HB2 GLU 21 HB2 GLU 21 -3.965 11.551 -35.905 148 HB3 GLU 21 HB3 GLU 21 -3.687 11.930 -37.561 149 HG2 GLU 21 HG2 GLU 21 -2.146 9.950 -35.920 150 HG3 GLU 21 HG3 GLU 21 -3.426 9.565 -37.040 151 H ILE 22 H ILE 22 -3.559 13.715 -34.424 152 HA ILE 22 HA ILE 22 -4.562 15.877 -36.127 153 HB ILE 22 HB ILE 22 -5.141 14.941 -33.299 154 HG12 ILE 22 HG12 ILE 22 -5.767 13.498 -35.375 155 HG13 ILE 22 HG13 ILE 22 -7.087 13.946 -34.159 156 HG21 ILE 22 HG21 ILE 22 -7.195 16.479 -33.496 157 HG22 ILE 22 HG22 ILE 22 -5.674 17.393 -33.485 158 HG23 ILE 22 HG23 ILE 22 -6.547 17.137 -34.998 159 HD11 ILE 22 HD11 ILE 22 -6.598 15.298 -36.832 160 HD12 ILE 22 HD12 ILE 22 -7.736 13.962 -36.598 161 HD13 ILE 22 HD13 ILE 22 -8.003 15.506 -35.774 162 H LEU 23 H LEU 23 -2.538 15.513 -33.298 163 HA LEU 23 HA LEU 23 -2.266 18.436 -32.994 164 HB2 LEU 23 HB2 LEU 23 -0.804 16.095 -31.743 165 HB3 LEU 23 HB3 LEU 23 -0.484 17.765 -31.284 166 HG LEU 23 HG LEU 23 -3.296 16.618 -31.016 167 HD11 LEU 23 HD11 LEU 23 -1.193 16.665 -28.878 168 HD12 LEU 23 HD12 LEU 23 -1.659 15.224 -29.791 169 HD13 LEU 23 HD13 LEU 23 -2.823 16.062 -28.737 170 HD21 LEU 23 HD21 LEU 23 -3.641 18.412 -29.444 171 HD22 LEU 23 HD22 LEU 23 -3.028 19.105 -30.962 172 HD23 LEU 23 HD23 LEU 23 -1.927 18.912 -29.580 173 H GLY 24 H GLY 24 -0.608 15.844 -34.667 174 HA2 GLY 24 HA2 GLY 24 1.034 16.025 -36.309 175 HA3 GLY 24 HA3 GLY 24 0.973 17.755 -36.143 176 H VAL 25 H VAL 25 1.480 15.569 -33.459 177 HA VAL 25 HA VAL 25 4.321 16.564 -33.142 178 HB VAL 25 HB VAL 25 4.123 15.751 -30.839 179 HG11 VAL 25 HG11 VAL 25 1.802 17.643 -31.547 180 HG12 VAL 25 HG12 VAL 25 2.480 17.409 -29.941 181 HG13 VAL 25 HG13 VAL 25 3.461 18.121 -31.221 182 HG21 VAL 25 HG21 VAL 25 2.384 13.975 -31.493 183 HG22 VAL 25 HG22 VAL 25 2.203 14.795 -29.968 184 HG23 VAL 25 HG23 VAL 25 1.198 15.233 -31.334 185 H GLU 26 H GLU 26 5.973 15.170 -32.547 186 HA GLU 26 HA GLU 26 6.064 12.861 -34.343 187 HB2 GLU 26 HB2 GLU 26 7.972 13.585 -32.105 188 HB3 GLU 26 HB3 GLU 26 8.317 12.501 -33.488 189 HG2 GLU 26 HG2 GLU 26 7.875 15.532 -33.511 190 HG3 GLU 26 HG3 GLU 26 9.358 14.640 -33.949 191 H ARG 27 H ARG 27 5.325 13.054 -30.898 192 HA ARG 27 HA ARG 27 4.770 10.220 -30.834 193 HB2 ARG 27 HB2 ARG 27 6.122 9.884 -28.726 194 HB3 ARG 27 HB3 ARG 27 7.118 10.133 -30.158 195 HG2 ARG 27 HG2 ARG 27 7.485 12.482 -29.506 196 HG3 ARG 27 HG3 ARG 27 6.398 12.187 -28.120 197 HD2 ARG 27 HD2 ARG 27 7.870 10.391 -27.367 198 HD3 ARG 27 HD3 ARG 27 8.971 10.730 -28.694 199 HE ARG 27 HE ARG 27 8.587 13.154 -27.333 200 HH11 ARG 27 HH11 ARG 27 9.958 9.959 -26.541 201 HH12 ARG 27 HH12 ARG 27 11.101 10.637 -25.403 202 HH21 ARG 27 HH21 ARG 27 10.124 13.885 -25.873 203 HH22 ARG 27 HH22 ARG 27 11.175 12.806 -25.046 204 H VAL 28 H VAL 28 3.562 9.597 -29.049 205 HA VAL 28 HA VAL 28 2.593 11.807 -27.231 206 HB VAL 28 HB VAL 28 0.753 9.781 -28.612 207 HG11 VAL 28 HG11 VAL 28 0.096 12.152 -26.816 208 HG12 VAL 28 HG12 VAL 28 -1.051 11.078 -27.609 209 HG13 VAL 28 HG13 VAL 28 0.046 10.438 -26.373 210 HG21 VAL 28 HG21 VAL 28 1.284 11.271 -30.324 211 HG22 VAL 28 HG22 VAL 28 -0.233 11.914 -29.673 212 HG23 VAL 28 HG23 VAL 28 1.314 12.679 -29.224 213 H GLY 29 H GLY 29 2.673 11.182 -25.184 214 HA2 GLY 29 HA2 GLY 29 3.073 8.313 -24.494 215 HA3 GLY 29 HA3 GLY 29 3.262 9.675 -23.413 216 H VAL 30 H VAL 30 1.756 7.466 -22.645 217 HA VAL 30 HA VAL 30 -1.030 7.662 -23.093 218 HB VAL 30 HB VAL 30 -1.174 6.394 -20.926 219 HG11 VAL 30 HG11 VAL 30 0.809 5.165 -22.874 220 HG12 VAL 30 HG12 VAL 30 -0.483 4.369 -21.983 221 HG13 VAL 30 HG13 VAL 30 -0.860 5.423 -23.315 222 HG21 VAL 30 HG21 VAL 30 1.901 6.315 -21.073 223 HG22 VAL 30 HG22 VAL 30 1.024 7.370 -19.947 224 HG23 VAL 30 HG23 VAL 30 0.872 5.602 -19.849 225 H ASP 31 H ASP 31 1.077 9.508 -21.043 226 HA ASP 31 HA ASP 31 -1.194 10.877 -19.735 227 HB2 ASP 31 HB2 ASP 31 1.770 10.626 -19.065 228 HB3 ASP 31 HB3 ASP 31 0.622 11.588 -18.121 229 H ASP 32 H ASP 32 0.022 11.524 -22.572 230 HA ASP 32 HA ASP 32 1.291 14.131 -22.019 231 HB2 ASP 32 HB2 ASP 32 1.045 12.319 -24.254 232 HB3 ASP 32 HB3 ASP 32 0.499 13.929 -24.763 233 H ALA 33 H ALA 33 0.253 16.100 -22.102 234 HA ALA 33 HA ALA 33 -2.679 15.966 -22.099 235 HB1 ALA 33 HB1 ALA 33 -1.686 17.333 -20.359 236 HB2 ALA 33 HB2 ALA 33 -0.718 18.235 -21.569 237 HB3 ALA 33 HB3 ALA 33 -2.497 18.423 -21.504 238 H PHE 34 H PHE 34 -4.015 16.458 -23.771 239 HA PHE 34 HA PHE 34 -3.134 16.933 -26.380 240 HB2 PHE 34 HB2 PHE 34 -5.394 16.190 -25.587 241 HB3 PHE 34 HB3 PHE 34 -5.735 17.852 -25.105 242 HD1 PHE 34 HD1 PHE 34 -4.993 15.641 -28.017 243 HD2 PHE 34 HD2 PHE 34 -6.544 19.494 -26.740 244 HE1 PHE 34 HE1 PHE 34 -5.890 16.033 -30.322 245 HE2 PHE 34 HE2 PHE 34 -7.482 19.850 -28.990 246 HZ PHE 34 HZ PHE 34 -7.145 18.116 -30.787 247 H HIS 35 H HIS 35 -4.109 19.384 -23.928 248 HA HIS 35 HA HIS 35 -3.848 21.579 -25.823 249 HB2 HIS 35 HB2 HIS 35 -4.113 23.022 -23.876 250 HB3 HIS 35 HB3 HIS 35 -5.362 21.761 -23.985 251 HD1 HIS 35 HD1 HIS 35 -5.866 20.633 -21.807 252 HD2 HIS 35 HD2 HIS 35 -1.958 22.026 -21.961 253 HE1 HIS 35 HE1 HIS 35 -4.740 20.075 -19.588 254 H ASP 36 H ASP 36 -1.558 19.878 -23.743 255 HA ASP 36 HA ASP 36 0.367 22.056 -23.568 256 HB2 ASP 36 HB2 ASP 36 0.230 20.095 -21.932 257 HB3 ASP 36 HB3 ASP 36 0.737 19.023 -23.259 258 H LEU 37 H LEU 37 -0.487 19.458 -25.645 259 HA LEU 37 HA LEU 37 1.934 19.669 -27.229 260 HB2 LEU 37 HB2 LEU 37 -0.432 17.935 -27.042 261 HB3 LEU 37 HB3 LEU 37 0.379 17.999 -28.628 262 HG LEU 37 HG LEU 37 2.377 17.169 -27.736 263 HD11 LEU 37 HD11 LEU 37 2.635 16.405 -25.393 264 HD12 LEU 37 HD12 LEU 37 1.113 17.232 -24.959 265 HD13 LEU 37 HD13 LEU 37 2.522 18.181 -25.540 266 HD21 LEU 37 HD21 LEU 37 1.784 14.957 -27.064 267 HD22 LEU 37 HD22 LEU 37 0.599 15.512 -28.292 268 HD23 LEU 37 HD23 LEU 37 0.157 15.481 -26.571 269 H GLY 38 H GLY 38 -0.331 21.822 -27.019 270 HA2 GLY 38 HA2 GLY 38 -0.678 23.591 -28.576 271 HA3 GLY 38 HA3 GLY 38 -0.128 22.535 -29.893 272 H GLY 39 H GLY 39 -2.537 21.482 -27.631 273 HA2 GLY 39 HA2 GLY 39 -4.488 21.157 -29.747 274 HA3 GLY 39 HA3 GLY 39 -4.741 20.789 -28.033 275 H SER 40 H SER 40 -6.695 21.678 -29.469 276 HA SER 40 HA SER 40 -7.352 24.138 -28.013 277 HB2 SER 40 HB2 SER 40 -6.519 25.138 -30.080 278 HB3 SER 40 HB3 SER 40 -7.365 23.926 -31.042 279 HG SER 40 HG SER 40 -8.386 26.068 -30.869 280 H SER 41 H SER 41 -9.725 24.567 -28.147 281 HA SER 41 HA SER 41 -11.226 22.095 -27.970 282 HB2 SER 41 HB2 SER 41 -13.120 23.967 -28.024 283 HB3 SER 41 HB3 SER 41 -12.120 23.578 -26.594 284 HG SER 41 HG SER 41 -11.650 25.706 -26.731 285 H ALA 42 H ALA 42 -10.806 24.603 -30.425 286 HA ALA 42 HA ALA 42 -12.825 23.635 -32.278 287 HB1 ALA 42 HB1 ALA 42 -11.797 25.968 -32.529 288 HB2 ALA 42 HB2 ALA 42 -10.225 25.230 -32.911 289 HB3 ALA 42 HB3 ALA 42 -11.617 24.999 -33.995 290 H LEU 43 H LEU 43 -9.401 22.913 -31.748 291 HA LEU 43 HA LEU 43 -9.204 21.218 -34.053 292 HB2 LEU 43 HB2 LEU 43 -7.245 22.359 -32.874 293 HB3 LEU 43 HB3 LEU 43 -7.483 21.184 -31.547 294 HG LEU 43 HG LEU 43 -6.927 19.326 -33.056 295 HD11 LEU 43 HD11 LEU 43 -5.624 19.897 -35.148 296 HD12 LEU 43 HD12 LEU 43 -6.466 21.426 -35.164 297 HD13 LEU 43 HD13 LEU 43 -7.350 19.937 -35.281 298 HD21 LEU 43 HD21 LEU 43 -5.332 20.389 -31.600 299 HD22 LEU 43 HD22 LEU 43 -4.926 21.588 -32.853 300 HD23 LEU 43 HD23 LEU 43 -4.552 19.870 -33.102 301 H ALA 44 H ALA 44 -10.134 20.688 -30.702 302 HA ALA 44 HA ALA 44 -9.947 17.883 -30.588 303 HB1 ALA 44 HB1 ALA 44 -12.033 19.694 -29.305 304 HB2 ALA 44 HB2 ALA 44 -11.585 18.061 -28.779 305 HB3 ALA 44 HB3 ALA 44 -10.376 19.376 -28.655 306 H MET 45 H MET 45 -12.306 19.895 -32.383 307 HA MET 45 HA MET 45 -14.408 17.986 -32.412 308 HB2 MET 45 HB2 MET 45 -13.693 20.131 -34.433 309 HB3 MET 45 HB3 MET 45 -15.216 19.214 -34.426 310 HG2 MET 45 HG2 MET 45 -15.838 20.075 -32.330 311 HG3 MET 45 HG3 MET 45 -14.290 20.925 -32.109 312 HE1 MET 45 HE1 MET 45 -15.472 23.595 -31.879 313 HE2 MET 45 HE2 MET 45 -17.061 23.779 -32.707 314 HE3 MET 45 HE3 MET 45 -16.791 22.425 -31.576 315 H ARG 46 H ARG 46 -11.472 18.511 -34.257 316 HA ARG 46 HA ARG 46 -12.026 16.706 -36.386 317 HB2 ARG 46 HB2 ARG 46 -9.331 17.679 -35.442 318 HB3 ARG 46 HB3 ARG 46 -9.679 16.955 -37.012 319 HG2 ARG 46 HG2 ARG 46 -10.569 19.647 -35.904 320 HG3 ARG 46 HG3 ARG 46 -9.466 19.384 -37.283 321 HD2 ARG 46 HD2 ARG 46 -11.353 18.331 -38.484 322 HD3 ARG 46 HD3 ARG 46 -12.425 18.794 -37.155 323 HE ARG 46 HE ARG 46 -10.958 21.075 -37.912 324 HH11 ARG 46 HH11 ARG 46 -13.402 18.929 -39.404 325 HH12 ARG 46 HH12 ARG 46 -13.984 20.233 -40.413 326 HH21 ARG 46 HH21 ARG 46 -11.836 22.642 -39.250 327 HH22 ARG 46 HH22 ARG 46 -13.117 22.261 -40.351 328 H LEU 47 H LEU 47 -10.303 16.521 -33.317 329 HA LEU 47 HA LEU 47 -9.389 13.839 -33.633 330 HB2 LEU 47 HB2 LEU 47 -8.622 15.347 -31.817 331 HB3 LEU 47 HB3 LEU 47 -10.225 15.326 -31.089 332 HG LEU 47 HG LEU 47 -9.884 12.764 -30.903 333 HD11 LEU 47 HD11 LEU 47 -8.105 12.505 -32.451 334 HD12 LEU 47 HD12 LEU 47 -7.542 12.086 -30.815 335 HD13 LEU 47 HD13 LEU 47 -7.085 13.647 -31.521 336 HD21 LEU 47 HD21 LEU 47 -8.081 14.647 -29.317 337 HD22 LEU 47 HD22 LEU 47 -8.500 12.954 -28.872 338 HD23 LEU 47 HD23 LEU 47 -9.791 14.207 -28.944 339 H ILE 48 H ILE 48 -12.434 15.158 -32.164 340 HA ILE 48 HA ILE 48 -13.605 12.606 -31.602 341 HB ILE 48 HB ILE 48 -14.938 15.221 -32.308 342 HG12 ILE 48 HG12 ILE 48 -14.800 13.977 -29.562 343 HG13 ILE 48 HG13 ILE 48 -13.434 14.880 -30.198 344 HG21 ILE 48 HG21 ILE 48 -16.239 12.763 -30.933 345 HG22 ILE 48 HG22 ILE 48 -17.075 14.292 -31.301 346 HG23 ILE 48 HG23 ILE 48 -16.535 13.214 -32.619 347 HD11 ILE 48 HD11 ILE 48 -14.783 16.883 -30.462 348 HD12 ILE 48 HD12 ILE 48 -16.206 16.046 -29.827 349 HD13 ILE 48 HD13 ILE 48 -14.818 16.287 -28.789 350 H ALA 49 H ALA 49 -13.617 14.468 -34.637 351 HA ALA 49 HA ALA 49 -15.515 12.662 -35.913 352 HB1 ALA 49 HB1 ALA 49 -15.139 14.875 -36.873 353 HB2 ALA 49 HB2 ALA 49 -13.402 14.560 -37.052 354 HB3 ALA 49 HB3 ALA 49 -14.563 13.671 -38.056 355 H ARG 50 H ARG 50 -11.926 12.643 -35.655 356 HA ARG 50 HA ARG 50 -11.638 10.438 -37.495 357 HB2 ARG 50 HB2 ARG 50 -9.858 12.175 -36.487 358 HB3 ARG 50 HB3 ARG 50 -9.673 10.947 -35.282 359 HG2 ARG 50 HG2 ARG 50 -7.979 10.591 -36.974 360 HG3 ARG 50 HG3 ARG 50 -9.276 9.458 -37.463 361 HD2 ARG 50 HD2 ARG 50 -10.172 11.109 -39.057 362 HD3 ARG 50 HD3 ARG 50 -8.965 12.277 -38.526 363 HE ARG 50 HE ARG 50 -8.412 9.830 -40.133 364 HH11 ARG 50 HH11 ARG 50 -7.328 13.010 -38.912 365 HH12 ARG 50 HH12 ARG 50 -5.884 12.994 -39.852 366 HH21 ARG 50 HH21 ARG 50 -6.508 9.902 -41.282 367 HH22 ARG 50 HH22 ARG 50 -5.431 11.220 -41.216 368 H ILE 51 H ILE 51 -12.112 10.705 -33.986 369 HA ILE 51 HA ILE 51 -11.776 7.976 -33.320 370 HB ILE 51 HB ILE 51 -13.456 10.170 -32.028 371 HG12 ILE 51 HG12 ILE 51 -10.938 8.671 -31.141 372 HG13 ILE 51 HG13 ILE 51 -10.846 10.187 -32.069 373 HG21 ILE 51 HG21 ILE 51 -12.981 7.261 -31.157 374 HG22 ILE 51 HG22 ILE 51 -13.581 8.507 -30.043 375 HG23 ILE 51 HG23 ILE 51 -14.559 8.034 -31.445 376 HD11 ILE 51 HD11 ILE 51 -10.492 10.607 -29.768 377 HD12 ILE 51 HD12 ILE 51 -12.119 11.217 -30.145 378 HD13 ILE 51 HD13 ILE 51 -11.929 9.692 -29.297 379 H ARG 52 H ARG 52 -14.510 9.577 -34.929 380 HA ARG 52 HA ARG 52 -16.345 7.419 -34.398 381 HB2 ARG 52 HB2 ARG 52 -16.151 9.304 -36.774 382 HB3 ARG 52 HB3 ARG 52 -17.542 8.258 -36.363 383 HG2 ARG 52 HG2 ARG 52 -17.314 9.633 -34.082 384 HG3 ARG 52 HG3 ARG 52 -16.589 10.799 -35.223 385 HD2 ARG 52 HD2 ARG 52 -18.565 10.363 -36.744 386 HD3 ARG 52 HD3 ARG 52 -19.343 9.489 -35.395 387 HE ARG 52 HE ARG 52 -18.398 12.174 -34.721 388 HH11 ARG 52 HH11 ARG 52 -21.244 10.375 -36.009 389 HH12 ARG 52 HH12 ARG 52 -22.321 11.703 -35.611 390 HH21 ARG 52 HH21 ARG 52 -19.851 13.745 -34.271 391 HH22 ARG 52 HH22 ARG 52 -21.554 13.543 -34.681 392 H GLU 53 H GLU 53 -13.735 7.788 -36.729 393 HA GLU 53 HA GLU 53 -14.658 5.553 -38.387 394 HB2 GLU 53 HB2 GLU 53 -11.953 6.930 -38.274 395 HB3 GLU 53 HB3 GLU 53 -12.538 5.882 -39.594 396 HG2 GLU 53 HG2 GLU 53 -13.618 8.592 -38.814 397 HG3 GLU 53 HG3 GLU 53 -12.670 8.166 -40.259 398 H GLU 54 H GLU 54 -12.400 6.121 -35.766 399 HA GLU 54 HA GLU 54 -11.208 3.502 -35.999 400 HB2 GLU 54 HB2 GLU 54 -10.882 5.899 -34.244 401 HB3 GLU 54 HB3 GLU 54 -10.036 4.380 -33.902 402 HG2 GLU 54 HG2 GLU 54 -9.898 5.259 -36.725 403 HG3 GLU 54 HG3 GLU 54 -9.083 6.316 -35.564 404 H LEU 55 H LEU 55 -13.332 5.031 -33.512 405 HA LEU 55 HA LEU 55 -13.344 2.397 -32.097 406 HB2 LEU 55 HB2 LEU 55 -14.032 5.109 -31.049 407 HB3 LEU 55 HB3 LEU 55 -14.158 3.634 -30.130 408 HG LEU 55 HG LEU 55 -11.596 4.910 -31.207 409 HD11 LEU 55 HD11 LEU 55 -11.069 5.298 -28.842 410 HD12 LEU 55 HD12 LEU 55 -12.628 4.616 -28.340 411 HD13 LEU 55 HD13 LEU 55 -12.591 6.112 -29.256 412 HD21 LEU 55 HD21 LEU 55 -11.959 2.487 -29.400 413 HD22 LEU 55 HD22 LEU 55 -10.401 3.220 -29.894 414 HD23 LEU 55 HD23 LEU 55 -11.444 2.399 -31.039 415 H GLY 56 H GLY 56 -14.933 4.193 -34.198 416 HA2 GLY 56 HA2 GLY 56 -17.092 3.894 -35.170 417 HA3 GLY 56 HA3 GLY 56 -17.241 2.511 -34.052 418 H VAL 57 H VAL 57 -16.814 5.712 -32.689 419 HA VAL 57 HA VAL 57 -19.686 6.082 -32.172 420 HB VAL 57 HB VAL 57 -19.074 6.414 -29.699 421 HG11 VAL 57 HG11 VAL 57 -19.190 4.042 -29.058 422 HG12 VAL 57 HG12 VAL 57 -20.307 4.370 -30.375 423 HG13 VAL 57 HG13 VAL 57 -18.774 3.531 -30.667 424 HG21 VAL 57 HG21 VAL 57 -16.621 6.571 -29.904 425 HG22 VAL 57 HG22 VAL 57 -17.078 5.266 -28.761 426 HG23 VAL 57 HG23 VAL 57 -16.549 4.824 -30.396 427 H ASP 58 H ASP 58 -20.069 8.203 -31.258 428 HA ASP 58 HA ASP 58 -18.002 10.150 -31.913 429 HB2 ASP 58 HB2 ASP 58 -19.712 11.842 -31.383 430 HB3 ASP 58 HB3 ASP 58 -20.300 10.701 -32.552 431 H LEU 59 H LEU 59 -16.477 10.604 -30.431 432 HA LEU 59 HA LEU 59 -16.603 9.684 -27.804 433 HB2 LEU 59 HB2 LEU 59 -14.662 10.246 -29.317 434 HB3 LEU 59 HB3 LEU 59 -14.806 11.898 -28.789 435 HG LEU 59 HG LEU 59 -12.908 10.796 -27.792 436 HD11 LEU 59 HD11 LEU 59 -14.952 11.355 -25.669 437 HD12 LEU 59 HD12 LEU 59 -13.940 12.581 -26.469 438 HD13 LEU 59 HD13 LEU 59 -13.208 11.321 -25.449 439 HD21 LEU 59 HD21 LEU 59 -14.790 9.041 -26.258 440 HD22 LEU 59 HD22 LEU 59 -13.040 8.930 -26.371 441 HD23 LEU 59 HD23 LEU 59 -14.058 8.496 -27.764 442 HA PRO 60 HA PRO 60 -19.025 13.061 -26.139 443 HB2 PRO 60 HB2 PRO 60 -18.758 12.578 -23.456 444 HB3 PRO 60 HB3 PRO 60 -19.915 11.749 -24.492 445 HG2 PRO 60 HG2 PRO 60 -17.224 10.849 -23.636 446 HG3 PRO 60 HG3 PRO 60 -18.770 9.946 -23.629 447 HD2 PRO 60 HD2 PRO 60 -16.848 9.627 -25.515 448 HD3 PRO 60 HD3 PRO 60 -18.582 9.528 -25.951 449 H ILE 61 H ILE 61 -18.255 15.066 -26.144 450 HA ILE 61 HA ILE 61 -15.498 15.592 -25.665 451 HB ILE 61 HB ILE 61 -17.157 16.859 -27.054 452 HG12 ILE 61 HG12 ILE 61 -15.509 18.725 -25.351 453 HG13 ILE 61 HG13 ILE 61 -14.751 17.603 -26.472 454 HG21 ILE 61 HG21 ILE 61 -18.810 17.299 -24.979 455 HG22 ILE 61 HG22 ILE 61 -17.714 18.611 -24.550 456 HG23 ILE 61 HG23 ILE 61 -18.545 18.637 -26.126 457 HD11 ILE 61 HD11 ILE 61 -14.960 19.740 -27.507 458 HD12 ILE 61 HD12 ILE 61 -16.125 18.637 -28.275 459 HD13 ILE 61 HD13 ILE 61 -16.689 19.873 -27.121 460 H ARG 62 H ARG 62 -18.067 15.359 -23.394 461 HA ARG 62 HA ARG 62 -16.972 17.099 -21.414 462 HB2 ARG 62 HB2 ARG 62 -19.266 16.089 -21.465 463 HB3 ARG 62 HB3 ARG 62 -18.567 14.598 -20.860 464 HG2 ARG 62 HG2 ARG 62 -19.433 15.721 -18.997 465 HG3 ARG 62 HG3 ARG 62 -17.699 16.033 -18.867 466 HD2 ARG 62 HD2 ARG 62 -18.069 18.291 -19.886 467 HD3 ARG 62 HD3 ARG 62 -19.799 17.971 -19.910 468 HE ARG 62 HE ARG 62 -18.583 17.664 -17.314 469 HH11 ARG 62 HH11 ARG 62 -20.109 19.997 -19.480 470 HH12 ARG 62 HH12 ARG 62 -20.716 20.976 -18.157 471 HH21 ARG 62 HH21 ARG 62 -19.337 18.994 -15.726 472 HH22 ARG 62 HH22 ARG 62 -20.273 20.358 -16.058 473 H GLN 63 H GLN 63 -16.527 13.696 -22.225 474 HA GLN 63 HA GLN 63 -14.871 13.033 -19.937 475 HB2 GLN 63 HB2 GLN 63 -15.661 11.732 -22.521 476 HB3 GLN 63 HB3 GLN 63 -14.204 11.169 -21.721 477 HG2 GLN 63 HG2 GLN 63 -16.196 9.820 -21.046 478 HG3 GLN 63 HG3 GLN 63 -15.533 10.676 -19.639 479 HE21 GLN 63 HE21 GLN 63 -16.687 12.067 -18.513 480 HE22 GLN 63 HE22 GLN 63 -18.363 12.450 -18.862 481 H LEU 64 H LEU 64 -14.249 14.007 -23.276 482 HA LEU 64 HA LEU 64 -11.434 13.788 -23.188 483 HB2 LEU 64 HB2 LEU 64 -12.920 14.259 -25.263 484 HB3 LEU 64 HB3 LEU 64 -13.206 15.875 -24.621 485 HG LEU 64 HG LEU 64 -10.868 16.439 -24.850 486 HD11 LEU 64 HD11 LEU 64 -10.650 13.644 -25.750 487 HD12 LEU 64 HD12 LEU 64 -9.557 14.582 -24.744 488 HD13 LEU 64 HD13 LEU 64 -9.641 14.855 -26.492 489 HD21 LEU 64 HD21 LEU 64 -12.538 16.839 -26.689 490 HD22 LEU 64 HD22 LEU 64 -12.166 15.261 -27.374 491 HD23 LEU 64 HD23 LEU 64 -10.915 16.492 -27.372 492 H PHE 65 H PHE 65 -13.571 16.642 -22.446 493 HA PHE 65 HA PHE 65 -11.287 18.284 -21.848 494 HB2 PHE 65 HB2 PHE 65 -14.251 18.546 -21.176 495 HB3 PHE 65 HB3 PHE 65 -13.085 19.731 -20.672 496 HD1 PHE 65 HD2 PHE 65 -11.793 18.654 -23.798 497 HD2 PHE 65 HD1 PHE 65 -15.040 20.988 -22.129 498 HE1 PHE 65 HE2 PHE 65 -12.072 19.859 -25.958 499 HE2 PHE 65 HE1 PHE 65 -15.206 22.260 -24.277 500 HZ PHE 65 HZ PHE 65 -13.752 21.694 -26.184 501 H SER 66 H SER 66 -13.294 16.112 -19.867 502 HA SER 66 HA SER 66 -12.248 17.079 -17.298 503 HB2 SER 66 HB2 SER 66 -13.521 14.467 -18.061 504 HB3 SER 66 HB3 SER 66 -13.299 15.071 -16.409 505 HG SER 66 HG SER 66 -14.785 16.310 -18.524 506 H SER 67 H SER 67 -10.964 14.903 -19.701 507 HA SER 67 HA SER 67 -8.604 14.376 -17.911 508 HB2 SER 67 HB2 SER 67 -10.181 12.261 -19.359 509 HB3 SER 67 HB3 SER 67 -8.635 11.976 -18.562 510 HG SER 67 HG SER 67 -9.736 12.803 -16.625 511 HA PRO 68 HA PRO 68 -7.826 15.463 -22.339 512 HB2 PRO 68 HB2 PRO 68 -5.926 17.389 -21.970 513 HB3 PRO 68 HB3 PRO 68 -7.709 17.699 -21.657 514 HG2 PRO 68 HG2 PRO 68 -5.507 16.996 -19.701 515 HG3 PRO 68 HG3 PRO 68 -6.727 18.317 -19.624 516 HD2 PRO 68 HD2 PRO 68 -7.024 15.985 -18.312 517 HD3 PRO 68 HD3 PRO 68 -8.403 16.920 -19.019 518 H THR 69 H THR 69 -6.466 13.214 -20.856 519 HA THR 69 HA THR 69 -3.913 13.341 -22.403 520 HB THR 69 HB THR 69 -2.993 11.691 -20.781 521 HG1 THR 69 HG1 THR 69 -4.243 11.594 -18.763 522 HG21 THR 69 HG21 THR 69 -3.970 14.293 -19.641 523 HG22 THR 69 HG22 THR 69 -2.359 13.882 -20.231 524 HG23 THR 69 HG23 THR 69 -2.941 13.170 -18.718 525 HA PRO 70 HA PRO 70 -5.976 10.291 -24.627 526 HB2 PRO 70 HB2 PRO 70 -4.002 8.411 -25.315 527 HB3 PRO 70 HB3 PRO 70 -4.224 10.015 -26.149 528 HG2 PRO 70 HG2 PRO 70 -2.298 9.231 -24.057 529 HG3 PRO 70 HG3 PRO 70 -2.045 10.157 -25.499 530 HD2 PRO 70 HD2 PRO 70 -2.306 11.234 -22.992 531 HD3 PRO 70 HD3 PRO 70 -2.953 12.128 -24.433 532 H ALA 71 H ALA 71 -3.870 8.799 -22.081 533 HA ALA 71 HA ALA 71 -5.642 6.466 -21.916 534 HB1 ALA 71 HB1 ALA 71 -3.279 6.353 -21.324 535 HB2 ALA 71 HB2 ALA 71 -3.533 7.471 -19.976 536 HB3 ALA 71 HB3 ALA 71 -4.321 5.860 -19.959 537 H GLY 72 H GLY 72 -5.491 9.643 -20.574 538 HA2 GLY 72 HA2 GLY 72 -7.170 9.250 -18.300 539 HA3 GLY 72 HA3 GLY 72 -6.899 10.753 -19.192 540 H VAL 73 H VAL 73 -7.767 10.184 -21.707 541 HA VAL 73 HA VAL 73 -10.569 10.432 -21.542 542 HB VAL 73 HB VAL 73 -8.894 9.490 -23.897 543 HG11 VAL 73 HG11 VAL 73 -11.149 8.755 -24.287 544 HG12 VAL 73 HG12 VAL 73 -11.833 10.253 -23.673 545 HG13 VAL 73 HG13 VAL 73 -10.938 10.215 -25.240 546 HG21 VAL 73 HG21 VAL 73 -8.292 11.775 -23.294 547 HG22 VAL 73 HG22 VAL 73 -9.338 11.857 -24.741 548 HG23 VAL 73 HG23 VAL 73 -9.964 12.250 -23.124 549 H ALA 74 H ALA 74 -8.495 7.629 -22.078 550 HA ALA 74 HA ALA 74 -10.566 5.757 -22.774 551 HB1 ALA 74 HB1 ALA 74 -8.045 5.005 -21.295 552 HB2 ALA 74 HB2 ALA 74 -8.950 4.079 -22.505 553 HB3 ALA 74 HB3 ALA 74 -8.033 5.529 -23.017 554 H ARG 75 H ARG 75 -9.244 6.717 -19.625 555 HA ARG 75 HA ARG 75 -10.799 4.635 -18.310 556 HB2 ARG 75 HB2 ARG 75 -9.255 7.016 -17.202 557 HB3 ARG 75 HB3 ARG 75 -9.953 5.736 -16.263 558 HG2 ARG 75 HG2 ARG 75 -7.916 5.294 -18.396 559 HG3 ARG 75 HG3 ARG 75 -7.421 5.537 -16.793 560 HD2 ARG 75 HD2 ARG 75 -9.382 3.353 -17.469 561 HD3 ARG 75 HD3 ARG 75 -7.628 3.043 -17.649 562 HE ARG 75 HE ARG 75 -9.166 3.435 -15.115 563 HH11 ARG 75 HH11 ARG 75 -5.977 3.107 -16.646 564 HH12 ARG 75 HH12 ARG 75 -5.179 2.493 -15.240 565 HH21 ARG 75 HH21 ARG 75 -8.126 2.645 -13.251 566 HH22 ARG 75 HH22 ARG 75 -6.413 2.255 -13.304 567 H ALA 76 H ALA 76 -11.021 8.170 -18.864 568 HA ALA 76 HA ALA 76 -13.205 8.629 -17.029 569 HB1 ALA 76 HB1 ALA 76 -12.519 10.046 -19.611 570 HB2 ALA 76 HB2 ALA 76 -13.589 10.608 -18.305 571 HB3 ALA 76 HB3 ALA 76 -11.868 10.406 -17.998 572 H LEU 77 H LEU 77 -13.205 7.583 -20.529 573 HA LEU 77 HA LEU 77 -16.161 7.604 -20.518 574 HB2 LEU 77 HB2 LEU 77 -16.014 6.853 -22.770 575 HB3 LEU 77 HB3 LEU 77 -14.790 8.057 -22.558 576 HG LEU 77 HG LEU 77 -13.239 5.901 -22.244 577 HD11 LEU 77 HD11 LEU 77 -15.222 4.886 -24.287 578 HD12 LEU 77 HD12 LEU 77 -15.335 4.424 -22.583 579 HD13 LEU 77 HD13 LEU 77 -13.858 4.035 -23.475 580 HD21 LEU 77 HD21 LEU 77 -12.878 7.670 -23.931 581 HD22 LEU 77 HD22 LEU 77 -14.125 6.972 -24.945 582 HD23 LEU 77 HD23 LEU 77 -12.631 6.061 -24.643 583 H ALA 78 H ALA 78 -13.618 5.239 -19.796 584 HA ALA 78 HA ALA 78 -15.312 2.937 -19.900 585 HB1 ALA 78 HB1 ALA 78 -12.895 3.242 -18.025 586 HB2 ALA 78 HB2 ALA 78 -13.562 1.742 -18.722 587 HB3 ALA 78 HB3 ALA 78 -12.731 2.897 -19.770 588 H ALA 79 H ALA 79 -14.721 5.457 -17.547 589 HA ALA 79 HA ALA 79 -16.114 4.337 -15.316 590 HB1 ALA 79 HB1 ALA 79 -16.168 7.229 -16.123 591 HB2 ALA 79 HB2 ALA 79 -16.144 6.515 -14.477 592 HB3 ALA 79 HB3 ALA 79 -14.711 6.434 -15.444 593 H LYS 80 H LYS 80 -17.324 5.462 -18.406 594 HA LYS 80 HA LYS 80 -19.972 6.073 -17.272 595 HB2 LYS 80 HB2 LYS 80 -19.193 5.686 -20.191 596 HB3 LYS 80 HB3 LYS 80 -20.723 6.315 -19.618 597 HG2 LYS 80 HG2 LYS 80 -18.013 7.585 -19.070 598 HG3 LYS 80 HG3 LYS 80 -19.016 8.013 -20.472 599 HD2 LYS 80 HD2 LYS 80 -20.018 8.315 -17.570 600 HD3 LYS 80 HD3 LYS 80 -19.151 9.581 -18.453 601 HE2 LYS 80 HE2 LYS 80 -21.721 8.323 -19.397 602 HE3 LYS 80 HE3 LYS 80 -21.616 9.904 -18.561 603 HZ1 LYS 80 HZ1 LYS 80 -20.173 9.203 -21.056 604 HZ2 LYS 80 HZ2 LYS 80 -20.400 10.733 -20.431 605 HZ3 LYS 80 HZ3 LYS 80 -21.683 9.924 -21.071 606 H SER 81 H SER 81 -18.209 3.259 -18.254 607 HA SER 81 HA SER 81 -20.757 1.639 -18.649 608 HB2 SER 81 HB2 SER 81 -18.946 1.357 -20.292 609 HB3 SER 81 HB3 SER 81 -17.795 0.917 -19.001 610 HG SER 81 HG SER 81 -19.644 -0.720 -18.544 611 H ALA 82 H ALA 82 -18.682 2.639 -16.167 612 HA ALA 82 HA ALA 82 -18.458 0.245 -14.573 613 HB1 ALA 82 HB1 ALA 82 -17.143 2.463 -14.334 614 HB2 ALA 82 HB2 ALA 82 -18.571 3.137 -13.580 615 HB3 ALA 82 HB3 ALA 82 -17.802 1.759 -12.773 616 H SER 83 H SER 83 -19.769 -0.447 -12.943 617 HA SER 83 HA SER 83 -22.604 -0.223 -13.108 618 HB2 SER 83 HB2 SER 83 -20.807 -1.015 -10.804 619 HB3 SER 83 HB3 SER 83 -22.544 -1.298 -10.884 620 HG SER 83 HG SER 83 -20.510 -2.498 -12.460 621 H TRP 84 H TRP 84 -20.131 1.526 -11.232 622 HA TRP 84 HA TRP 84 -22.282 3.227 -10.011 623 HB2 TRP 84 HB2 TRP 84 -19.367 2.898 -9.176 624 HB3 TRP 84 HB3 TRP 84 -20.619 3.808 -8.334 625 HD1 TRP 84 HD1 TRP 84 -18.869 0.673 -7.963 626 HE1 TRP 84 HE1 TRP 84 -20.162 -1.208 -6.788 627 HE3 TRP 84 HE3 TRP 84 -23.593 2.681 -8.341 628 HZ2 TRP 84 HZ2 TRP 84 -22.883 -1.813 -6.177 629 HZ3 TRP 84 HZ3 TRP 84 -25.510 1.419 -7.390 630 HH2 TRP 84 HH2 TRP 84 -25.130 -0.820 -6.337 631 H SER 85 H SER 85 -22.171 3.917 -12.504 632 HA SER 85 HA SER 85 -19.983 5.739 -13.147 633 HB2 SER 85 HB2 SER 85 -21.386 6.389 -15.027 634 HB3 SER 85 HB3 SER 85 -21.295 4.613 -14.878 635 HG SER 85 HG SER 85 -23.355 4.985 -15.163 636 H HIS 86 H HIS 86 -20.425 8.063 -13.612 637 HA HIS 86 HA HIS 86 -21.524 9.221 -11.210 638 HB2 HIS 86 HB2 HIS 86 -20.594 11.310 -12.052 639 HB3 HIS 86 HB3 HIS 86 -19.472 9.985 -12.275 640 HD1 HIS 86 HD1 HIS 86 -18.266 10.505 -14.462 641 HD2 HIS 86 HD2 HIS 86 -22.341 11.216 -14.717 642 HE1 HIS 86 HE1 HIS 86 -18.710 11.214 -16.813 643 HA PRO 87 HA PRO 87 -25.597 9.785 -12.512 644 HB2 PRO 87 HB2 PRO 87 -26.509 11.954 -11.135 645 HB3 PRO 87 HB3 PRO 87 -26.058 10.417 -10.352 646 HG2 PRO 87 HG2 PRO 87 -24.443 12.921 -10.690 647 HG3 PRO 87 HG3 PRO 87 -24.719 11.940 -9.196 648 HD2 PRO 87 HD2 PRO 87 -22.493 11.757 -10.623 649 HD3 PRO 87 HD3 PRO 87 -23.217 10.322 -9.843 650 H GLN 88 H GLN 88 -27.292 11.145 -13.587 651 HA GLN 88 HA GLN 88 -26.169 13.403 -15.154 652 HB2 GLN 88 HB2 GLN 88 -28.010 11.188 -16.079 653 HB3 GLN 88 HB3 GLN 88 -27.667 12.641 -17.015 654 HG2 GLN 88 HG2 GLN 88 -25.200 12.028 -16.957 655 HG3 GLN 88 HG3 GLN 88 -25.684 10.468 -16.250 656 HE21 GLN 88 HE21 GLN 88 -25.626 8.958 -17.774 657 HE22 GLN 88 HE22 GLN 88 -26.116 9.160 -19.443 658 H PHE 89 H PHE 89 -27.775 15.049 -15.652 659 HA PHE 89 HA PHE 89 -29.962 15.162 -13.689 660 HB2 PHE 89 HB2 PHE 89 -28.982 17.030 -15.891 661 HB3 PHE 89 HB3 PHE 89 -30.326 17.425 -14.792 662 HD1 PHE 89 HD1 PHE 89 -29.848 17.304 -12.243 663 HD2 PHE 89 HD2 PHE 89 -26.776 17.699 -15.277 664 HE1 PHE 89 HE1 PHE 89 -28.312 18.152 -10.527 665 HE2 PHE 89 HE2 PHE 89 -25.155 18.514 -13.542 666 HZ PHE 89 HZ PHE 89 -25.945 18.829 -11.190 667 H GLU 90 H GLU 90 -32.174 15.278 -14.228 668 HA GLU 90 HA GLU 90 -33.024 13.870 -16.632 669 HB2 GLU 90 HB2 GLU 90 -34.543 14.995 -14.210 670 HB3 GLU 90 HB3 GLU 90 -35.308 14.155 -15.565 671 HG2 GLU 90 HG2 GLU 90 -33.891 12.136 -15.044 672 HG3 GLU 90 HG3 GLU 90 -33.136 13.004 -13.709 673 H LYS 91 H LYS 91 -34.357 14.706 -18.241 674 HA LYS 91 HA LYS 91 -34.795 17.691 -18.336 675 HB2 LYS 91 HB2 LYS 91 -33.297 15.960 -20.334 676 HB3 LYS 91 HB3 LYS 91 -34.270 17.306 -20.858 677 HG2 LYS 91 HG2 LYS 91 -32.174 18.314 -20.735 678 HG3 LYS 91 HG3 LYS 91 -32.894 18.733 -19.167 679 HD2 LYS 91 HD2 LYS 91 -30.559 18.036 -18.855 680 HD3 LYS 91 HD3 LYS 91 -31.651 16.861 -18.107 681 HE2 LYS 91 HE2 LYS 91 -31.347 15.406 -20.168 682 HE3 LYS 91 HE3 LYS 91 -30.219 16.615 -20.810 683 HZ1 LYS 91 HZ1 LYS 91 -28.994 14.804 -19.812 684 HZ2 LYS 91 HZ2 LYS 91 -29.750 15.039 -18.366 685 HZ3 LYS 91 HZ3 LYS 91 -28.732 16.243 -18.945
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